smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
O=S1(=O)CC[C@@H](N(Cc2cc(F)ccc2O)C2CC2)C1	179935452	VOGIWJFHINJVKO-CYBMUJFWSA-N	299.367	1.683	10	20	CDCD	
COc1ccc(N2CCN(C(=O)N(C)C)CC2)cc1F	177286950	PJHRNKIKUIXXOZ-UHFFFAOYSA-N	281.331	1.638	10	20	CDCD	
COc1cccc(CNC(=O)Nc2nnc(C)s2)c1O	68480872	IXYZLYKXYRUXHQ-UHFFFAOYSA-N	294.336	1.882	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CCC(=O)O)cc1	37792147	DVMRTPVYFBGZSR-UHFFFAOYSA-N	250.298	1.234	10	20	CDCD	
Cn1ccc(CC(=O)NCc2c(O)ccc3c2CCCC3)n1	184027305	HAYARXXOSDEAMY-UHFFFAOYSA-N	299.374	1.863	10	20	CDCD	
C[C@H](NCC1(CO)COC1)c1ccc(F)c(F)c1O	187801258	IOLWYWILHDFHGV-QMMMGPOBSA-N	273.279	1.330	10	20	CDCD	
NC(=O)[C@@H]1CCCN(Cc2cccc(Cl)c2O)C1	183374920	PTHQHFNCKYSHCN-SNVBAGLBSA-N	268.744	1.743	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)c2cnn(C)c2N)c1	184355278	BEMDWPMKNRGVPA-QMMMGPOBSA-N	290.323	1.208	10	20	CDCD	
COc1cccc(CN[C@H](C)c2nnnn2C2CC2)c1O	191825086	UAWDGWYJRPKKMF-SECBINFHSA-N	289.339	1.573	10	20	CDCD	
C[C@H](NC(=O)NCc1ccc(N(C)C)cc1)[C@@H]1CCOC1	266484515	CJYIHCKXIOTKAW-GXTWGEPZSA-N	291.395	1.977	10	20	CDCD	
COC(=O)COc1ccc(N(C)CCC2OCCO2)cc1	274434682	HQFIGWDQKYIVQW-UHFFFAOYSA-N	295.335	1.438	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)C(C)(C)C	274994327	ZLTHPKHKGRKWNY-VIFPVBQESA-N	279.336	1.760	10	20	CDCD	
CCN(CC(=O)N1CCC1)c1ccc(OC)c(OC)c1	299280521	OCNCDQGLFSDHQG-UHFFFAOYSA-N	278.352	1.762	10	20	CDCD	
C[C@H](NCCN1CCC(O)CC1)c1ccc(N(C)C)cc1	296056980	VQAJCOQDCBAMIJ-AWEZNQCLSA-N	291.439	1.860	10	20	CDCD	
CC(=O)C(=O)CS(=O)(=O)c1cccc(C(F)(F)F)c1	808033086	GNBZCAIYSQTLST-UHFFFAOYSA-N	294.250	1.637	10	20	CDCD	
C[C@H](CO[C@@H]1CCOC1)NC(=O)c1c(F)ccc(O)c1O	294802126	BWUCBLRAFGHFGV-RKDXNWHRSA-N	299.298	1.161	10	20	CDCD	
CSC[C@H](O)CNCc1ccc2c(c1)CCO2	818997182	UKWJYNXYZWQURY-GFCCVEGCSA-N	253.367	1.435	10	20	CDCD	
OC/C=C\CNCc1cc(Br)ccc1O	717524347	CNTQQNLJMVRPDO-UPHRSURJSA-N	272.142	1.793	10	20	CDCD	
C[C@@H](O)CNCc1ccc(N2CCC(O)CC2)c(F)c1	819121641	NFDWGZXYQSYMBB-LLVKDONJSA-N	282.359	1.257	10	20	CDCD	
O=C1CN(Cc2ccccc2O)C(=O)N1C[C@H]1CCCO1	819166113	MQLDBXPEQRZWPV-GFCCVEGCSA-N	290.319	1.335	10	20	CDCD	
O=C(N[C@@H]1CCN2CCC[C@H]2C1)c1c(F)ccc(O)c1O	825481489	KQVKRGZCWREKCO-ZJUUUORDSA-N	294.326	1.594	10	20	CDCD	
Cc1cc(O)c(CN2CCC([C@H](O)C(=O)O)CC2)cc1C	833746502	BITONYZIWVEUSY-HNNXBMFYSA-N	293.363	1.667	10	20	CDCD	
COc1cccc(CNC(=O)[C@@H](C)c2cnccn2)c1O	907061641	WAFUPSVKHKGQQW-JTQLQIEISA-N	287.319	1.611	10	20	CDCD	
O=[N+]([O-])c1cc(Cl)cc(CN[C@H](CO)C2CC2)c1O	734160714	DPZXDJJLDHQZEG-SNVBAGLBSA-N	286.715	1.814	10	20	CDCD	
O=C(O)C[C@H]1CN(Cc2cc3c(cc2O)CCC3)CCO1	833220052	PZWOCLNWBVFRFF-AWEZNQCLSA-N	291.347	1.556	10	20	CDCD	
O=C(NC1(c2ncon2)CCOCC1)c1cc(O)cs1	832017922	UVUBQHZTYXFXPO-UHFFFAOYSA-N	295.320	1.272	10	20	CDCD	
CN(C(=O)c1cccc(O)c1O)[C@@H](CO)CC(C)(C)C	836972005	MXVAEAQJCHNGPR-SNVBAGLBSA-N	281.352	1.967	10	20	CDCD	
CCc1cccc(CN2CCC[C@H](O)[C@H]2C(=O)OC)c1O	848905363	JOVHZIDMOXNELV-KBPBESRZSA-N	293.363	1.453	10	20	CDCD	
Nc1ccc(CCNC(=O)N2CCOC3(CCC3)C2)cc1	841960305	LRJVLEXPWSWUFK-UHFFFAOYSA-N	289.379	1.776	10	20	CDCD	
COc1cc(O)c(CNC[C@H]2CCCN2)cc1OC	841035800	MOMUCUUDEIGDSE-LLVKDONJSA-N	266.341	1.251	10	20	CDCD	
NC1C[C@@H]2CCC[C@H](C1)N2Cc1cc2c(cc1O)OCO2	843053591	DFHLOBFJPYQQDO-YHWZYXNKSA-N	290.363	1.965	10	20	CDCD	
CN[C@@H]1CCCN(Cc2cc3c(cc2O)OCO3)C1	843048490	BYNYDPLMTMHRHK-LLVKDONJSA-N	264.325	1.305	10	20	CDCD	
COc1ccc(N(C)CCN(C)C(=O)CCC(C)=O)cc1	846445696	FCGSFNZRPPZXRP-UHFFFAOYSA-N	292.379	1.959	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N(C)[C@H](C)CCO	844990567	MMQURBOYYONEMK-CYBMUJFWSA-N	293.411	1.973	10	20	CDCD	
COc1ccc(O)c(CNCC[C@H]2CCNC2)c1	841036999	RHKDFOUBHDFVSH-LLVKDONJSA-N	250.342	1.490	10	20	CDCD	
C[C@H](CNCc1cc(Cl)cc(F)c1O)C(=O)O	848637240	DLXMZEIGPVJJCY-ZCFIWIBFSA-N	261.680	1.995	10	20	CDCD	
CCNC(=O)[C@@H](C)N[C@@H](C)c1cc(F)cc(F)c1O	756354756	COUXQMLLJNZGBC-JGVFFNPUSA-N	272.295	1.846	10	20	CDCD	
CN(Cc1ccccc1O)C[C@@H]1COC(C)(C)O1	851840418	GKHFHFINSYTRJM-GFCCVEGCSA-N	251.326	1.976	10	20	CDCD	
CN(C[C@H](O)COC[C@@H]1CCCO1)c1ccc(N)cc1	923401203	RXUOQDVBCMVXMY-GJZGRUSLSA-N	280.368	1.262	10	20	CDCD	
COC[C@@H]1COCCN1Cc1ccc(N(C)C)c(C)c1	933328844	DNGXGJOWWMCPFF-OAHLLOKOSA-N	278.396	1.908	10	20	CDCD	
C[C@@H](NC(=O)NCCCC(=O)O)c1ccccc1O	874404850	MMAFCJOEQJGUSJ-SECBINFHSA-N	266.297	1.617	10	20	CDCD	
CCC[C@H](O)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	935309795	FNLYBCJEGYEGJX-SKDRFNHKSA-N	267.325	1.306	10	20	CDCD	
CN(Cc1cc2c(cc1O)OC[C@@H]2O)C[C@@H]1CCCCO1	768442605	MHRZRFJEGKCEAP-WFASDCNBSA-N	293.363	1.819	10	20	CDCD	
Cc1ccc(CN2CCC3(CC2)CNC(=O)C3)c(O)c1	876743563	ICTIVLFTXJGOCT-UHFFFAOYSA-N	274.364	1.803	10	20	CDCD	
Cc1cccc(O)c1CNCc1nnnn1C1CC1	877069806	FVKRMMWVYRTKBH-UHFFFAOYSA-N	259.313	1.312	10	20	CDCD	
COc1cccc(O)c1CN1CCC[C@H](C2OCCO2)C1	769304740	DDLPFDOJKGJPFS-LBPRGKRZSA-N	293.363	1.986	10	20	CDCD	
Cc1cccc(O)c1CN1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O	877467154	XARBFBWGOBECKK-HUBLWGQQSA-N	274.364	1.786	10	20	CDCD	
CCS(=O)(CC)=NS(=O)(=O)Nc1ccc(O)cc1	872330915	PJQAAIYLUJYYNA-UHFFFAOYSA-N	292.382	1.557	10	20	CDCD	
CN1CCCc2cc(CNC(=O)C(C)(C)CO)ccc21	776342565	FJPMRRGUTULPRL-UHFFFAOYSA-N	276.380	1.704	10	20	CDCD	
COC(=O)CC(C)(C)CC(=O)NCc1ccc(O)c(O)c1	778922227	HOLHYBGOJGCFII-UHFFFAOYSA-N	295.335	1.693	10	20	CDCD	
CC[C@@H](O)c1cn(Cc2cc(F)cc(C(C)=O)c2O)nn1	880994397	AFVGDUKIWVGDDH-CYBMUJFWSA-N	293.298	1.817	10	20	CDCD	
C[C@@H](NC(=O)NCCCCO)c1ccc(N(C)C)cc1	787316904	FSCFPXPZBCRHQV-GFCCVEGCSA-N	279.384	1.885	10	20	CDCD	
COC[C@@H](C)OC(=O)/C=C/c1ccc(O)c(O)c1	784286784	NMYUXLMUXOCWIE-OTQAPUNGSA-N	252.266	1.689	10	20	CDCD	
CCN1C[C@@H](NCc2ccc(OC)c(OC)c2O)CC1=O	894722907	JHWKEOGHVTYTPM-NSHDSACASA-N	294.351	1.120	10	20	CDCD	
COc1cc(C)cc(CNCC2(C(N)=O)CCCC2)c1O	894391432	HAWZIZFCYJQMHY-UHFFFAOYSA-N	292.379	1.845	10	20	CDCD	
O=C(c1cc(O)cs1)N1C[C@H]2CC[C@H]1[C@@H](O)C2	899766345	TWXRSUOQTNVUAR-HGNGGELXSA-N	253.323	1.439	10	20	CDCD	
COc1ccc(CNC(=O)N[C@H](C)CCN(C)C)c(O)c1	792946622	RYHMOOUIOTZBOP-LLVKDONJSA-N	295.383	1.540	10	20	CDCD	
COc1ccc(CNC(=O)CN2[C@@H](C)CC[C@@H]2C)c(O)c1	794391062	UDGQBFWWLXPFDH-RYUDHWBXSA-N	292.379	1.890	10	20	CDCD	
CO[C@@H](C(=O)OCC(=O)c1ccc(O)c(O)c1)C1CC1	795833222	QBRJSAYHKKRMLU-CYBMUJFWSA-N	280.276	1.249	10	20	CDCD	
CC[C@@H](N)C(=O)NCc1ccc(N(CC)CC)cc1	83460764	NQBUXEAUJSYXEJ-CQSZACIVSA-N	263.385	1.886	10	20	CDCD	
COCCC(C)(C)CNC(=O)c1cccc(O)c1O	193163375	QZYQTUMGZSNAQW-UHFFFAOYSA-N	267.325	1.890	10	20	CDCD	
C[C@@]1(CO)CCCN1C(=O)NCc1ccc(N)cc1	1262603869	XSNKEGLWZKQFFL-AWEZNQCLSA-N	263.341	1.325	10	20	CDCD	
Cc1cc(C)c(O)c(CN(C)Cc2cn(C)nn2)c1	1350480093	NRKMDTWOTIVBMS-UHFFFAOYSA-N	260.341	1.770	10	20	CDCD	
CCN(CC(OC)OC)C(=O)c1cc(O)cs1	1521898803	FNKFFINLUMYANV-UHFFFAOYSA-N	259.327	1.535	10	20	CDCD	
O=C(O)c1ccoc1COC(=O)c1cccc(O)c1O	1602487802	XWYKMOUSOWJXNN-UHFFFAOYSA-N	278.216	1.746	10	20	CDCD	
O=C(O)[C@@H]1CC[C@H]1C(=O)N1Cc2cccc(O)c2C1	1595179339	SRNFNCUCCXGFCR-NXEZZACHSA-N	261.277	1.345	10	20	CDCD	
CCN(CC)c1ccc(CN(C)C[C@](C)(O)C(=O)O)cc1	1596290057	YDOSONZZFHIEEE-INIZCTEOSA-N	294.395	1.800	10	20	CDCD	
Oc1c(F)cc(F)cc1CNc1n[nH]cc1-c1nn[nH]n1	1593538871	LKRNBIJSUDKZBI-UHFFFAOYSA-N	293.237	1.186	10	20	CDCD	
CO[C@H](C)[C@H](C)N[C@@H](C)c1cccc(-c2nn[nH]n2)c1O	1591323936	GMKMCCCSFZLUIB-LPEHRKFASA-N	291.355	1.646	10	20	CDCD	
C[C@@H]1C[C@@H]1[C@H](NCc1ccc2c(c1)CCO2)C(=O)O	1776603685	YXXUPZPQSVEVJC-LQJRIPTKSA-N	261.321	1.820	10	20	CDCD	
COc1ccc(O)c(CN=c2cc[nH]cc2C(=O)O)c1	1777367672	FXQFNFVOIYMIMK-UHFFFAOYSA-N	274.276	1.528	10	20	CDCD	
CC[C@@H](C(=O)N[C@H](C)c1cc(OC)ccc1O)N(C)C	151545521	VVPBQCRJXXCFNT-MFKMUULPSA-N	280.368	1.918	10	20	CDCD	
O=[N+]([O-])c1cc(Cl)cc(CN2CCOCC2)c1O	154503459	GZOKRYVLVBUEGD-UHFFFAOYSA-N	272.688	1.786	10	20	CDCD	
C[C@@H](NCCS(=O)(=O)C1CC1)c1ccccc1O	840878712	JWIAAKBHXSYNNO-SNVBAGLBSA-N	269.366	1.620	10	20	CDCD	
Cc1ccc([C@H](C)NC[C@@]2(O)CCO[C@@H]2C)c(O)c1	228056312	GJMZUVSBLACKKG-ZOWXZIJZSA-N	265.353	1.891	10	20	CDCD	
C[C@H](C(=O)O)C(=O)NCc1ccc(N(C)C)cc1	229345767	JWIQVTQQFQOKQN-VIFPVBQESA-N	250.298	1.090	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCCCC[C@H]1CO	126571238	UXCRKSYEBMTHSO-JTQLQIEISA-N	265.309	1.475	10	20	CDCD	
CCNC(=O)[C@H](C)NCc1cccc(OCC)c1O	36795073	WYUNUHDSUWAGKY-JTQLQIEISA-N	266.341	1.405	10	20	CDCD	
C[C@@H](CC(C)(C)O)NC(=O)c1cccc(O)c1O	297143522	ILZJBLAJCRBWBI-QMMMGPOBSA-N	253.298	1.377	10	20	CDCD	
CC(=O)N[C@H]1CCN(Cc2cc(F)cc(F)c2O)C1	708398579	HOANMBFHSYVYKA-NSHDSACASA-N	270.279	1.381	10	20	CDCD	
COCCN(C)CCNCc1cc(F)cc(F)c1O	708535595	NINNICDSIODWKM-UHFFFAOYSA-N	274.311	1.338	10	20	CDCD	
Cn1cncc1CNCc1cc(F)cc(F)c1O	708501753	IJFOQRZKIOEACK-UHFFFAOYSA-N	253.252	1.694	10	20	CDCD	
CO[C@H](C1CC1)[C@H](C)NC(=O)c1cccc(O)c1O	388281563	MRXMXSLXWAIGGD-SDBXPKJASA-N	265.309	1.641	10	20	CDCD	
CO[C@@]1(CN[C@H]2CCc3cccc(O)c32)CCOC1	389169749	HUYGDZLWJXOFBT-SWLSCSKDSA-N	263.337	1.775	10	20	CDCD	
Oc1c(Br)cccc1CN[C@H]1C[C@H](O)C1	850418014	VNQRKLBNKBHCHO-KYZUINATSA-N	272.142	1.768	10	20	CDCD	
C[C@@H](O)CNC(=O)NCc1ccc(N(C)C)c(F)c1	57646618	NMCFUHCOZVQRJH-SECBINFHSA-N	269.320	1.072	10	20	CDCD	
CCS(=O)(=O)NCc1ccc(N(C)C)cc1C	115592808	HHXXIQQOXBTTOJ-UHFFFAOYSA-N	256.371	1.500	10	20	CDCD	
O=C(Cn1cccc([N+](=O)[O-])c1=O)c1ccc(O)c(O)c1	102204890	XZYCXFRVLWHHOP-UHFFFAOYSA-N	290.231	1.051	10	20	CDCD	
CCCN(Cc1ccccc1O)C[C@@H](O)Cn1cccn1	171638412	QPABCVPDKFQCDJ-OAHLLOKOSA-N	289.379	1.862	10	20	CDCD	
CC(=O)N[C@H](C)C(=O)NCCCSc1nccs1	114374448	UOBVQMAIRYBRIR-MRVPVSSYSA-N	287.410	1.266	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)CCn1cncn1	115490874	UGOXIARQUUEKCU-UHFFFAOYSA-N	287.367	1.359	10	20	CDCD	
COc1cc(C(=O)NCCc2ccc(O)c(O)c2)ccn1	1341306676	AUQWURXPHNJCLC-UHFFFAOYSA-N	288.303	1.474	10	20	CDCD	
CNc1nc(C(=O)NCCc2ccc(O)c(O)c2)cs1	122095345	DSTSXGPCDKNXKV-UHFFFAOYSA-N	293.348	1.569	10	20	CDCD	
CC[C@@H](COC)NCc1cc([N+](=O)[O-])ccc1O	120210461	DTFFFILCTBVHMK-JTQLQIEISA-N	254.286	1.815	10	20	CDCD	
O=C(CNCc1cccc(Br)c1O)NC1CC1	42411940	DQYPXFLDLZEYNO-UHFFFAOYSA-N	299.168	1.523	10	20	CDCD	
C[C@@H]1OCC[C@]1(O)CNCc1cc(F)ccc1O	228094862	KLRHJCUOFNMSKH-ZANVPECISA-N	255.289	1.161	10	20	CDCD	
C[C@H]1COCCN1Cc1ccc(N2CCOCC2)c(F)c1	91814873	HBWRCZHOTPDBCM-ZDUSSCGKSA-N	294.370	1.883	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)c1noc2c1COCC2	527599242	WVPUZZGRGKUWQB-UHFFFAOYSA-N	288.303	1.725	10	20	CDCD	
CCC[C@@H](O)CNC(=O)NCc1ccc(N(C)C)cc1	264888504	WNRBCUUHWSRZFM-CQSZACIVSA-N	279.384	1.713	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)[C@H]1CCc2nccn2C1	364920510	ZERSGVMZWZDYAH-NSHDSACASA-N	287.319	1.173	10	20	CDCD	
O=C1N[C@H](c2cccc(F)c2O)N2CCSC[C@H]12	272207585	NNQCHOFQMBFCGM-KOLCDFICSA-N	268.313	1.077	10	20	CDCD	
Oc1ccc(F)cc1CN1CCOC[C@@H]1[C@H]1CCCO1	377701305	SOLJMDGYRJZDOK-UKRRQHHQSA-N	281.327	1.911	10	20	CDCD	
Cc1ccc(O)c([C@@H](C)NCCCn2cc(CO)nn2)c1	289607646	CYNLAFFSJAKSNR-GFCCVEGCSA-N	290.367	1.525	10	20	CDCD	
CCOC(=O)CN(Cc1ccccc1O)C[C@@H](O)CC	823576798	ZNBFCUGODHGANC-ZDUSSCGKSA-N	281.352	1.528	10	20	CDCD	
Cc1c(CCC(=O)NCc2ccc(O)cc2O)cnn1C	827822412	INSOACBTQNFPOZ-UHFFFAOYSA-N	289.335	1.389	10	20	CDCD	
CN1CCCc2cc(CNC(=O)CCCC(=O)O)ccc21	833697513	MQZXVDZSZHWFBA-UHFFFAOYSA-N	290.363	1.940	10	20	CDCD	
COC[C@@](C)(CC(=O)O)NC(=O)c1ccc(C)c(O)c1O	833722354	SFBXPGRAZBIVHK-CQSZACIVSA-N	297.307	1.016	10	20	CDCD	
COc1cccc(CNC(=O)[C@H](C(=O)O)C(C)C)c1O	911337528	UVRBAHHWZZNYJI-LLVKDONJSA-N	281.308	1.374	10	20	CDCD	
Cc1ccc(C(=O)N(C)CCCC(=O)O)c(O)c1O	832912547	RZKCENORUWBXSN-UHFFFAOYSA-N	267.281	1.343	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N[C@H]2C[C@H](CO)C2)cc1	913927257	ZIOZHRXNMZYKAR-JOCQHMNTSA-N	277.368	1.323	10	20	CDCD	
COc1cccc(O)c1CNC[C@@H]1CC(=O)N(C2CC2)C1	846074593	DGJHEBGKQVEGSM-NSHDSACASA-N	290.363	1.501	10	20	CDCD	
C[C@@H](N[C@H]1CC(=O)N(C)C1)c1ccc(Cl)cc1O	841746211	DCPXFLGVGNIXQX-SCZZXKLOSA-N	268.744	1.927	10	20	CDCD	
Nc1ccc(NC(=O)C(=O)N(CC2CC2)CC2CC2)cc1	841038694	OJZKPGVWYLBCQW-UHFFFAOYSA-N	287.363	1.856	10	20	CDCD	
C[C@H](O)CN(C(=O)NCCc1ccc(N)cc1)C1CC1	848603564	QXGIWLCDHXKNMV-NSHDSACASA-N	277.368	1.366	10	20	CDCD	
COCCOCCN[C@@H](C)c1cccc(OC)c1O	846144676	MWYYKPYCORFZND-NSHDSACASA-N	269.341	1.714	10	20	CDCD	
CCN(CCOCCO)Cc1ccc(N(C)C)cc1C	840942784	DXWPBDGHVGQAGT-UHFFFAOYSA-N	280.412	1.892	10	20	CDCD	
COc1cccc([C@H](C)NC[C@@]2(O)CCO[C@H]2C)c1O	846166618	BCLFWEPJFYLYQZ-PGUXBMHVSA-N	281.352	1.591	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CN2C3CCC2CC3)cc1	748816937	WWUYYZXXSVKANY-UHFFFAOYSA-N	287.407	1.996	10	20	CDCD	
COc1cccc([C@@H](C)NCCS(=O)(=O)C2CC2)c1O	846172287	KNHYEYQUTNTXLU-SNVBAGLBSA-N	299.392	1.629	10	20	CDCD	
Cc1cc(Br)cc(CN2CC[C@@H](N)C2)c1O	843045569	VEQVYXYJJUITQL-LLVKDONJSA-N	285.185	1.996	10	20	CDCD	
CC(C)O[C@@H]1CCN(C(=O)c2c(F)ccc(O)c2O)C1	844146699	NFDVHIXHWVYJLR-SECBINFHSA-N	283.299	1.876	10	20	CDCD	
COc1ccc(O)c(CN[C@H]2CCNCC2(C)C)c1	841072411	JPSIKWFGKXXBBU-AWEZNQCLSA-N	264.369	1.879	10	20	CDCD	
COc1ccc(N(C)CCN(C)C(=O)[C@H](C)CN)cc1	846697332	OBONDFAZCNTBNY-GFCCVEGCSA-N	279.384	1.185	10	20	CDCD	
CCc1cccc(CN[C@H](C(=O)OC)C2CC2)c1O	848906416	UWYQMTFRRZASJQ-ZDUSSCGKSA-N	263.337	1.996	10	20	CDCD	
OC[C@H](CC1CC1)NCc1ccc(N2CCOCC2)cc1	754834802	OJJFGKDYJLCDFG-INIZCTEOSA-N	290.407	1.774	10	20	CDCD	
COC(=O)N(C)CCNCc1cc([N+](=O)[O-])ccc1O	850389674	CXJYEKTWPSBFKO-UHFFFAOYSA-N	283.284	1.088	10	20	CDCD	
C[C@@H](NC(=O)NCc1cnn(C)c1)c1ccccc1O	868133638	YYCMRICCPYBNCG-SNVBAGLBSA-N	274.324	1.686	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)C[C@H]2COC(=O)C2)c1	767960149	ZMWZCLAUAYVTNB-VHSXEESVSA-N	293.319	1.531	10	20	CDCD	
COC(=O)C1(CNC(=O)N[C@H](C)c2ccccc2O)CC1	868517604	BWRYSNRIAWLWRZ-SNVBAGLBSA-N	292.335	1.706	10	20	CDCD	
Cc1cc(O)c(CN(C)CCOCCN)cc1C	863652587	SKQCJWIORQEYTQ-UHFFFAOYSA-N	252.358	1.416	10	20	CDCD	
CCOc1ccc(CN2CCC(OCCO)CC2)c(O)c1	769537437	KICHVJOEZPEOEF-UHFFFAOYSA-N	295.379	1.764	10	20	CDCD	
COC(=O)c1cc(CN(C)c2ccc3c(c2)OCO3)on1	877180013	MVBLSKTUNJEFFI-UHFFFAOYSA-N	290.275	1.826	10	20	CDCD	
Cc1cnc(COCC(=O)N(C)c2ccc(N)cc2)o1	877074429	KEDXWIQVQOYQLS-UHFFFAOYSA-N	275.308	1.745	10	20	CDCD	
Cc1c[nH]cc(C(=O)NCc2ccc(N(C)C)cc2)c1=O	777791473	RDDHBJAJHGJMCP-UHFFFAOYSA-N	285.347	1.679	10	20	CDCD	
COC(=O)C[C@@]1(NCc2cc(F)ccc2O)CCCOC1	770672599	ARPDNUAQWLZUOZ-HNNXBMFYSA-N	297.326	1.733	10	20	CDCD	
CCN(C)c1ccc(CN(C)[C@H]2CCN(C)C2=O)cc1	773753619	LPXFZQHZYAOHKY-HNNXBMFYSA-N	275.396	1.805	10	20	CDCD	
CCn1cc(CN[C@H](C)c2c(O)cccc2F)nn1	886637879	HDJIUJVZCPTSHV-SECBINFHSA-N	264.304	1.994	10	20	CDCD	
CNC(=O)[C@@H]1CCC[C@H]1NC(=O)c1ccc(C)c(O)c1O	780998883	CFKOFXZMKPMTEA-MWLCHTKSSA-N	292.335	1.051	10	20	CDCD	
C[C@@H](NCc1nnnn1C1CC1)c1c(O)cccc1F	886549780	NJZJVKAKXCEGJO-MRVPVSSYSA-N	277.303	1.704	10	20	CDCD	
COC(=O)[C@H](C)CN(C)Cc1cc(F)cc(F)c1O	893994168	BHEFASBZHQFPBX-MRVPVSSYSA-N	273.279	1.911	10	20	CDCD	
COC(=O)[C@@H](CC(F)F)NCc1ccc2c(c1)CCO2	789578592	CINFFIVNFKUJMH-LLVKDONJSA-N	285.290	1.908	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCC[C@@H]1c1ncccn1	898966953	KNHACMILTCROSM-LLVKDONJSA-N	285.303	1.865	10	20	CDCD	
COc1ccc(CNC(=O)c2cnsn2)c(O)c1	794370584	QGCQQIZUDVWJCQ-UHFFFAOYSA-N	265.294	1.182	10	20	CDCD	
Cc1ccc(O)c([C@H](C)NC[C@]2(O)CCN(C)C2)c1	702638384	YGSQJPZWHCTZDJ-SWLSCSKDSA-N	264.369	1.418	10	20	CDCD	
CCOc1ccc(CNCCC2(O)CCOCC2)c(O)c1	796465798	LDTBDWHPYISMFC-UHFFFAOYSA-N	295.379	1.812	10	20	CDCD	
Oc1ccc(F)cc1CNCCCN1CCOCC1	83509775	PFYPEHRIUOCQHR-UHFFFAOYSA-N	268.332	1.343	10	20	CDCD	
Nc1ccc(NC(=O)[C@H]2CC23CCS(=O)(=O)CC3)cc1	1326783231	DUKKKMZSGUNXPX-GFCCVEGCSA-N	294.376	1.422	10	20	CDCD	
Nc1ccc(CNC(=O)NOC[C@H]2CCOC2)cc1	1338597052	TXDVTZACKNBMOO-NSHDSACASA-N	265.313	1.036	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)C(=O)N(C)CC(C)(C)C	1330996239	JHYNDRSAFZMMBY-UHFFFAOYSA-N	292.379	1.855	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)[C@@H]2NC[C@@H]3C[C@@H]32)cc1	1348837793	MWZNGQUZLSYRCN-CWRNSKLLSA-N	287.407	1.757	10	20	CDCD	
Cc1nn(C)c(C)c1OCC(=O)NCc1ccc(N)cc1	1346209733	KVMQMGXNDCTZSF-UHFFFAOYSA-N	288.351	1.314	10	20	CDCD	
C[C@H]1CN(c2ccc(/C=C\C(=O)O)cc2[N+](=O)[O-])CCO1	207324151	QLBXYZOEAUBKOI-ATPLWMGHSA-N	292.291	1.918	10	20	CDCD	
C[C@H](NCc1cncn1C)c1cc(C(=O)O)ccc1O	1604349382	SNJYGYOMKHVIFX-VIFPVBQESA-N	275.308	1.675	10	20	CDCD	
C[C@@H](NC[C@H]1CCCN1C)c1cc(C(=O)O)ccc1O	1593286443	SVHNHXBYNFAEAL-ZYHUDNBSSA-N	278.352	1.835	10	20	CDCD	
O=C1NC(=S)S/C1=C\c1ccc(C(=O)O)c(O)c1	1777698939	PIBZEZGSZONHAB-YWEYNIOJSA-N	281.314	1.579	10	20	CDCD	
CCc1cc(CNC(=O)Cc2ccc(N)cc2)on1	830291356	PHZOZKRCDGUKMN-UHFFFAOYSA-N	259.309	1.678	10	20	CDCD	
CO[C@]1(CNCc2ccc(C)cc2O)CCOC1	877371966	SFEVVVBDHTZWCU-AWEZNQCLSA-N	251.326	1.596	10	20	CDCD	
O=C1NCCC[C@H]1CNCc1cc(F)cc(F)c1O	883144825	BWFIYDGQILEWNG-QMMMGPOBSA-N	270.279	1.286	10	20	CDCD	
COCCOCCN[C@@H]1CCc2cccc(O)c21	295909283	JCXZHMVYJMVIJM-GFCCVEGCSA-N	251.326	1.632	10	20	CDCD	
CN(C)c1ccc(CN(C)S(=O)(=O)c2c[nH]cn2)cc1	70416555	SXBIJTZJPKQDGR-UHFFFAOYSA-N	294.380	1.296	10	20	CDCD	
CO[C@@H]1COC[C@H]1N[C@H](C)c1ccc(C)cc1O	842913297	YVRHBTBSAAWXIH-MPKXVKKWSA-N	251.326	1.765	10	20	CDCD	
CN1CCCc2cc(CNC(=O)c3ccc[n+]([O-])c3)ccc21	60457209	GMXYJORGRVTVFY-UHFFFAOYSA-N	297.358	1.632	10	20	CDCD	
Cc1ccc(C(=O)NCCN2CCC[C@@H](C)C2)c(O)c1O	177672358	FUPZCZHSXWDPJF-LLVKDONJSA-N	292.379	1.868	10	20	CDCD	
O=C(NCc1nc2ccccc2[nH]1)c1cccc(O)c1O	126646147	WEYYDEUGGNKCOW-UHFFFAOYSA-N	283.287	1.904	10	20	CDCD	
O=C1CN(Cc2cc(F)ccc2O)[C@H]2CCCC[C@@H]2N1	180014708	HKSYLYFYNPWFQL-STQMWFEESA-N	278.327	1.774	10	20	CDCD	
CCCOc1ccc([C@@H]2NC(=O)CN2CC)c(O)c1	189860203	OTJWKVHHCGQPJJ-CQSZACIVSA-N	264.325	1.631	10	20	CDCD	
Cc1ccc(C(=O)Nc2cnn(C)c2C)c(O)c1O	182596093	MNASPCZBXSUYNH-UHFFFAOYSA-N	261.281	1.700	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)NCC1CC1	191908371	OGTOQSUONWUYLN-UHFFFAOYSA-N	290.363	1.657	10	20	CDCD	
CO[C@@H](C)C(=O)NCc1ccc(N2CCSCC2)cc1	49091567	UUISVAQOQTZZIC-LBPRGKRZSA-N	294.420	1.891	10	20	CDCD	
Cn1cc(C(=O)NCc2ccc(N3CCCC3)cc2)cn1	41365359	CFBCGZSJZHULGD-UHFFFAOYSA-N	284.363	1.950	10	20	CDCD	
COc1cccc(CN2C[C@@H](C)[C@H](CO)C2)c1O	191727940	IYAUGUGKZSFDAI-PWSUYJOCSA-N	251.326	1.461	10	20	CDCD	
C[C@H](CO[C@@H]1CCOC1)NC(=O)Cc1ccc(N)cc1	237396763	URNARLSXOCJHJU-BXUZGUMPSA-N	278.352	1.122	10	20	CDCD	
C[C@@H](NCCCN1CCC[C@@H]1C(N)=O)c1ccccc1O	272872627	OYQFVJOKDYIGBA-TZMCWYRMSA-N	291.395	1.383	10	20	CDCD	
CN(C[C@@H]1CCCCO1)C(=O)c1c(F)ccc(O)c1O	276604466	OSLOYOHBEQNHMH-VIFPVBQESA-N	283.299	1.878	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)NC[C@H](C)O)c1	273414920	QQYNLWZFHLLOCC-DTWKUNHWSA-N	253.298	1.210	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H]2C[C@H]3CC[C@@H]2O3)c1O	278304598	DIFUQWDHGGBHBJ-FOGDFJRCSA-N	294.307	1.719	10	20	CDCD	
C[C@@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)C[C@H]1CO	276856249	PXVHBDKXGNTOKZ-PEWKINPCSA-N	277.320	1.198	10	20	CDCD	
COc1ccc(N2CCN(Cc3cccnc3N)CC2)cc1	290075911	QHTOSKANGFKAFK-UHFFFAOYSA-N	298.390	1.995	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc[n+]([O-])c1	808095108	RONRHZJIIDDRFE-UHFFFAOYSA-N	293.319	1.441	10	20	CDCD	
CC(=O)C(=O)COC(=O)c1ccc(OC(C)C)cc1	808484075	HWECKYHKTHUKNT-UHFFFAOYSA-N	264.277	1.789	10	20	CDCD	
C[C@@H]1CSC[C@@H]1NC(=O)/C=C\c1ccc(O)c(O)c1	804501338	BLXZGUYMQLAXFB-PMEPJVLUSA-N	279.361	1.979	10	20	CDCD	
C[C@@H](NC[C@H](N)c1ccc(N(C)C)cc1)c1nccn1C	817940284	FPYZGPSRQCZWOD-DOMZBBRYSA-N	287.411	1.837	10	20	CDCD	
Cn1cnc(/C=C/C(=O)N2C[C@@H](CO)c3ccccc32)c1	820527860	XXZLFLRNDKGJGM-SYTKJHMZSA-N	283.331	1.556	10	20	CDCD	
COc1ccc(O)c(CNC(=O)C2(CN(C)C)CC2)c1	821065808	RIXODPFXNKRKJL-UHFFFAOYSA-N	278.352	1.359	10	20	CDCD	
CC1=NO[C@@](C)(C(=O)NCc2ccc(N(C)C)cc2)C1	901612156	YAEAGMXEEPRDAL-OAHLLOKOSA-N	275.352	1.924	10	20	CDCD	
CO[C@H](C)CS(=O)(=O)Nc1ccc(O)c(F)c1F	830185348	ZNWCSPOVCCLEFR-ZCFIWIBFSA-N	281.280	1.447	10	20	CDCD	
COC(=O)[C@@H]1C[C@H](F)CN1C(=O)c1cc(O)cs1	834845120	XHKCNTIRIVOSCF-XPUUQOCRSA-N	273.285	1.179	10	20	CDCD	
O=C(O)CN(Cc1ccccc1O)C(=O)C1CC=CC1	911485756	KQKVQUDIXKHALP-UHFFFAOYSA-N	275.304	1.772	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN[C@@H]1CCCN(C)C1=O	840935481	QSRGXCOLVCMKRX-OAHLLOKOSA-N	275.396	1.771	10	20	CDCD	
Cc1ncc(CN(C)c2ccc(OCC(=O)O)cc2)cn1	846279383	BBFSOZRIMNBBFI-UHFFFAOYSA-N	287.319	1.885	10	20	CDCD	
CC[S@@](=O)CCN[C@H](C)c1cccc(OC)c1O	846148194	XQCFLJQXFVXPCM-MLCYQJTMSA-N	271.382	1.820	10	20	CDCD	
Cc1ccc(C(=O)N2CCO[C@@H]2C(F)(F)F)c(O)c1O	912088571	QGGJRUSROJFUEF-LLVKDONJSA-N	291.225	1.767	10	20	CDCD	
CCCCO[C@@H](C)C(=O)NCc1ccc(O)cc1O	910953435	BLMVWQQXXQIXCS-JTQLQIEISA-N	267.325	1.919	10	20	CDCD	
COc1ccc(O)c(CNC(=O)OCCCF)c1	841494036	YVHUJYMAYIEARN-UHFFFAOYSA-N	257.261	1.987	10	20	CDCD	
CC(C)OCCC(=O)NCc1ccc(O)cc1O	910952546	XNBWSDOHJWAANX-UHFFFAOYSA-N	253.298	1.529	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@H]2CCc3nccn3C2)cc1	746305210	CUJQAPQLOOHCIP-CQSZACIVSA-N	298.390	1.828	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H](CN)CC(C)C)c1O	841037606	BCPIWOJEGNIRFC-LLVKDONJSA-N	297.355	1.772	10	20	CDCD	
C[C@H](NC(=O)NC[C@@H]1CCCN1)c1ccc(N(C)C)cc1	841881987	FXUMAISXNNEFRA-JSGCOSHPSA-N	290.411	1.865	10	20	CDCD	
CC(C)[C@H](N)CNC(=O)N(C)Cc1ccccc1O	841944119	WVYHBGYRULICAO-GFCCVEGCSA-N	265.357	1.517	10	20	CDCD	
C[C@@H](N[C@H]1CCc2c(nnn2C)C1)c1ccc(F)cc1O	848564195	JGMYUOXRQRPGTF-KOLCDFICSA-N	290.342	1.868	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCN(C)[C@@H]1C	843850668	GLWKACQMZJADNN-NQBHXWOUSA-N	292.379	1.485	10	20	CDCD	
NC(=O)[C@@H]1CC[C@H](N[C@H]2CCc3cccc(O)c32)C1	834906401	DSQSEKYMPUGOCI-WOPDTQHZSA-N	260.337	1.623	10	20	CDCD	
CN(C[C@H]1C[C@@H](O)C1)C(=O)NCc1ccc(N(C)C)cc1	863510376	JUBRTCLBCLDDMR-OTVXOJSOSA-N	291.395	1.665	10	20	CDCD	
CC[C@H](NC(C)=O)C(=O)N[C@H](C)c1cc(OC)ccc1O	866765041	QDPMGOJGOSMNLB-RNCFNFMXSA-N	294.351	1.493	10	20	CDCD	
CN(C[C@@H]1CCCS(=O)(=O)C1)c1ccc(N)cc1	863558402	HDSDOLYFHVBDIO-NSHDSACASA-N	268.382	1.530	10	20	CDCD	
CC[C@H](C(=O)NCc1cc(C)ccc1O)[C@@H](C)O	863937143	LTZAIGIYSZBQOY-PWSUYJOCSA-N	251.326	1.724	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CCc1cnn[nH]1	864634994	WGKQUAOGKDKQDW-UHFFFAOYSA-N	287.367	1.462	10	20	CDCD	
CON1CCC(NCc2c(C)cccc2O)CC1	877596524	NQTFNNNWWJESMC-UHFFFAOYSA-N	250.342	1.816	10	20	CDCD	
CC(=O)N[C@H](C(=O)NCc1cccc(O)c1O)C(C)(C)C	1123890367	XQVNYOCLUYKPKQ-CYBMUJFWSA-N	294.351	1.265	10	20	CDCD	
COC(=O)CN(C(=O)/C=C/c1ccc(O)c(O)c1)C1CC1	779530500	SICRJNRVXCYWBW-XVNBXDOJSA-N	291.303	1.275	10	20	CDCD	
COCCNC(=O)C1CCN(Cc2ccc(N)cc2)CC1	1120262754	CMLUMEIHDSSRQJ-UHFFFAOYSA-N	291.395	1.243	10	20	CDCD	
CC(C)N(C)C(=O)[C@H](C)OC(=O)c1cc(O)cs1	783608131	NQVFFBOPCKZQPZ-QMMMGPOBSA-N	271.338	1.866	10	20	CDCD	
COc1cc(C)cc(CN2C[C@@H]3C[C@]3(CO)C2)c1O	894533411	IRGIQDVGVLURSM-SWLSCSKDSA-N	263.337	1.523	10	20	CDCD	
CC1(C)CN(Cc2ccc(N3CCOCC3)cc2)C[C@@H]1O	790937141	KBGNFZMXZUMSKO-INIZCTEOSA-N	290.407	1.726	10	20	CDCD	
C[C@@H](NS(=O)(=O)N1CCC1)c1ccc(N(C)C)cc1	795932066	MYNMSBPLPGOIIH-LLVKDONJSA-N	283.397	1.354	10	20	CDCD	
COc1ccc(CNC(=O)C2(O)CCCC2)c(O)c1	794377600	QSFHIXKBUMTPHZ-UHFFFAOYSA-N	265.309	1.322	10	20	CDCD	
COc1ccc(O)c(CN2CCC[C@H]2CC(=O)O)c1	86791808	CEETTWLKWZSVIS-NSHDSACASA-N	265.309	1.840	10	20	CDCD	
CC(F)(F)CC(=O)NCCc1ccc(O)c(O)c1	277432339	VYRJRKWXNSDBCI-UHFFFAOYSA-N	259.252	1.802	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C1(C)CNC1	399156203	BNPHGERGHHZOLK-UHFFFAOYSA-N	275.396	1.711	10	20	CDCD	
CC(C)CNCC(=O)NCc1ccc2c(c1)CCCN2C	1326409034	QBPXNEOZSUYQHN-UHFFFAOYSA-N	289.423	1.931	10	20	CDCD	
COc1ccc(N2CC[C@H](CN[C@H](C)[C@H](C)O)C2)cc1	1325853977	INZWLBAERMSZFF-HZSPNIEDSA-N	278.396	1.880	10	20	CDCD	
Cn1cc(N2CC[C@H](N[C@@H]3CCc4cccc(O)c43)C2)cn1	1261276321	DSGAJOAWCHRJFS-DZGCQCFKSA-N	298.390	1.982	10	20	CDCD	
C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)NCc2ccc(N)cc2)C1	1342020903	KSBNGWJUXOUYPN-YGRLFVJLSA-N	284.363	1.974	10	20	CDCD	
COc1ccc(N2CCN(C(=O)[C@H]3C[C@H]3F)CC2)cc1F	1346394931	ZSIXNDCMSOEQFH-NWDGAFQWSA-N	296.317	1.841	10	20	CDCD	
O=C(NCc1cccc(O)c1O)[C@@H]1CC[C@H]2CCCCN12	1521852532	WXYGCXZQSRJSOG-OLZOCXBDSA-N	290.363	1.731	10	20	CDCD	
C[C@@H](CC(=O)O)NCc1cc(Cl)cc([N+](=O)[O-])c1O	1603133124	IWZWQPUOZFFQLY-LURJTMIESA-N	288.687	1.907	10	20	CDCD	
Cc1nnc(CN[C@@H](C)c2cc(C(=O)O)ccc2O)n1C	1608016765	WQXXWQMNRLBSKB-QMMMGPOBSA-N	290.323	1.378	10	20	CDCD	
CCNCCCN[C@@H](C)c1cc(C(=O)O)ccc1O	1610011320	PREANFUZEFHMGD-JTQLQIEISA-N	266.341	1.741	10	20	CDCD	
CNCCCC(=O)NCc1cccc(Cl)c1O	1578680935	PPCATTWZXXOLRW-UHFFFAOYSA-N	256.733	1.661	10	20	CDCD	
COC(=O)CC(C)(C)CC(=O)NCCc1ccc(N)cc1	1578796465	FKKIFMLXCVWDHN-UHFFFAOYSA-N	292.379	1.907	10	20	CDCD	
NCc1ccccc1CNC(=O)Cc1ccc(O)c(O)c1	1580343726	JPYJUKKJSVIWNO-UHFFFAOYSA-N	286.331	1.415	10	20	CDCD	
CN(C)CC[C@H](NCc1ccc(N(C)C)cc1)C(=O)O	1777030456	VXFSDOHFQKOGRX-AWEZNQCLSA-N	279.384	1.247	10	20	CDCD	
CC(=O)c1cc(F)cc(CN(C)CCOCCO)c1O	282640679	ZGQXXCAZWANFQH-UHFFFAOYSA-N	285.315	1.175	10	20	CDCD	
Oc1cccc(Br)c1CNCCc1nc[nH]n1	706830486	YIBSXFJGSZPKBC-UHFFFAOYSA-N	297.156	1.605	10	20	CDCD	
C[C@@H](C(=O)O)N(C(=O)c1cccc(O)c1O)C1CC1	382949964	LJUWYAJOWSDNQE-ZETCQYMHSA-N	265.265	1.176	10	20	CDCD	
CC(C)N(C)CC(=O)N(C)Cc1ccccc1O	63467596	CVQAGBYMUOZTRT-UHFFFAOYSA-N	250.342	1.691	10	20	CDCD	
Nc1ccc(CC(=O)N2CC[C@@H](N3CCCC3)C2)cc1	62973060	FZEWDKANLDFEGF-OAHLLOKOSA-N	273.380	1.508	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@@]1(O)CCSC1	305708388	ITMDGJQEPCRAMK-OAHLLOKOSA-N	294.420	1.545	10	20	CDCD	
O=C(Cn1nccc1[N+](=O)[O-])c1ccc(O)c(O)c1	128027795	NZFYYBUBJOMPEO-UHFFFAOYSA-N	263.209	1.085	10	20	CDCD	
CCOCCCC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	183476277	CXVRGKZRPZBMOS-NSHDSACASA-N	281.352	1.962	10	20	CDCD	
CCNC(=O)C(C)(C)CNC(=O)c1ccc(C)c(O)c1O	182854185	VCYVNRWIBNYWKV-UHFFFAOYSA-N	294.351	1.298	10	20	CDCD	
Oc1ccc(F)cc1CN1CCO[C@H]([C@H]2CCCO2)C1	245893217	CMVGZZHGYWMPBA-CABCVRRESA-N	281.327	1.911	10	20	CDCD	
Cc1cc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)on1	183414219	FTXBXUYKNYBKLQ-QMMMGPOBSA-N	276.292	1.755	10	20	CDCD	
COc1ccc(O)c(CN2CCC[C@@H]2c2nncn2C)c1	180562087	NLALCEMUCJHDRM-CYBMUJFWSA-N	288.351	1.866	10	20	CDCD	
COc1cccc(CN[C@H]2C(=O)NCC[C@@H]2C)c1O	193682019	REFZCPCITHNIOL-JOYOIKCWSA-N	264.325	1.015	10	20	CDCD	
C[C@@H](C(=O)O)N(C)Cc1ccc(N2CCOCC2)cc1	237614099	BUKLDCICIRDDJN-LBPRGKRZSA-N	278.352	1.428	10	20	CDCD	
CCOCc1cc(CNC[C@@H]2COCCN2)ccc1OC	530181246	KGOIPGRRHSTPLL-OAHLLOKOSA-N	294.395	1.310	10	20	CDCD	
COC(=O)CCN(Cc1cc2c(cc1O)OCO2)C(C)C	264936200	RHCJUNIPCXHUTL-UHFFFAOYSA-N	295.335	1.894	10	20	CDCD	
O=C(NCC[C@@H]1CCCCO1)c1c(F)ccc(O)c1O	276659657	XWGQGOFJCDVKJC-VIFPVBQESA-N	283.299	1.926	10	20	CDCD	
COc1cccc(CNC[C@@H]2CCCN(C(C)=O)C2)c1O	279803482	NSOJYRDIJNQJJJ-ZDUSSCGKSA-N	292.379	1.749	10	20	CDCD	
COC(=O)[C@H]1C[C@@H](OC)CCN1Cc1ccccc1O	360001738	WOPODKIIWWGGTG-QWHCGFSZSA-N	279.336	1.545	10	20	CDCD	
COc1c(C(=O)NCc2ccc(O)c(O)c2)c(C)nn1C	272406904	ZVXVQGRDGGFNFT-UHFFFAOYSA-N	291.307	1.078	10	20	CDCD	
C[C@H]1C[C@@H](NC(=O)NCc2ccccc2O)CCO1	271315699	XOUVVOWMJJYCRE-JQWIXIFHSA-N	264.325	1.759	10	20	CDCD	
CCOCc1cc(CN[C@H]2COC[C@@H]2OC)ccc1OC	289924380	VPJYUPWBETXXQP-HOCLYGCPSA-N	295.379	1.735	10	20	CDCD	
C[C@H](N[C@@H]1COC[C@H]1O)c1ccc(F)c(F)c1O	296086463	XTEZOOGQUGRLKM-WQGWLQIFSA-N	259.252	1.081	10	20	CDCD	
O=C(Nc1ccc(C2(O)COC2)cc1)c1cc(O)cs1	807871595	IBWQEHDGRKXUPL-UHFFFAOYSA-N	291.328	1.924	10	20	CDCD	
O=C(NCc1ccccc1O)[C@@H]1OC[C@H]2COCC[C@@H]21	290323045	GURVKQBVTAUOIS-MBNYWOFBSA-N	277.320	1.060	10	20	CDCD	
COc1cccc(CN(C)CC(C)(C)CO)c1O	294897185	WYTNGQOXSLGXJQ-UHFFFAOYSA-N	253.342	1.851	10	20	CDCD	
COc1cc(O)c(CN2CC[C@](F)(CO)C2)cc1OC	802660734	VCQYHHMXLGEHRA-CQSZACIVSA-N	285.315	1.316	10	20	CDCD	
Cc1cc(C)c([C@H](C)NCCOCCO)c(O)c1	293589745	FIHVPMSDYVLXFE-LBPRGKRZSA-N	253.342	1.669	10	20	CDCD	
CCOC(=O)C[C@H](OC(=O)c1cc(O)cs1)C(C)=O	805449986	NFMGRGGKCQAOTK-VIFPVBQESA-N	286.305	1.521	10	20	CDCD	
CN1CC[C@H]1CNCc1cccc(Br)c1O	712579584	LEVQPFALOSCYDM-JTQLQIEISA-N	285.185	1.948	10	20	CDCD	
CC(C)OCC[C@H](O)CNCc1ccc2c(c1)CCO2	818996525	HHWHULPUFXEVDU-HNNXBMFYSA-N	279.380	1.887	10	20	CDCD	
CC[C@@H](NCc1cc2c(cc1O)OCO2)C(=O)O	818316692	DZUVBJKNHLEEPV-MRVPVSSYSA-N	253.254	1.074	10	20	CDCD	
CN1CCN(C)[C@H](CNCc2ccc3ccccc3c2O)C1	816549635	UMGLMBBUSRNOKK-MRXNPFEDSA-N	299.418	1.881	10	20	CDCD	
CC[C@H](CS(=O)(=O)Nc1ccc(O)cc1)OC	817348900	VEONQVXXUYXODB-LLVKDONJSA-N	259.327	1.559	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)NCc2cc[nH]n2)c1	729047121	AHNBVHIGWUUBIZ-SECBINFHSA-N	290.323	1.684	10	20	CDCD	
CC[C@H](C)[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)O	820432320	MZTYFXMEFHTPFW-AMBAIVKFSA-N	293.319	1.727	10	20	CDCD	
COc1cccc(CNC(=O)C2(CN(C)C)CC2)c1O	821065891	SHNSGIJRKDGGBX-UHFFFAOYSA-N	278.352	1.359	10	20	CDCD	
COc1ncc(/C=C\C(=O)N(C)c2cccnc2)cn1	492652547	PYBMXBTZGNZPAJ-WAYWQWQTSA-N	270.292	1.556	10	20	CDCD	
COc1cccc(O)c1CN1C[C@H](C)N(CCO)[C@H](C)C1	824926778	SXKQGPUHSLPUCW-BETUJISGSA-N	294.395	1.288	10	20	CDCD	
CC(C)[C@H](C)NC(=O)COC(=O)c1cc(O)cs1	731909160	BNDLTLFJZTYIIK-QMMMGPOBSA-N	271.338	1.771	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NC(CF)CF)cc1	836223066	NSGUAMJTIQPCLJ-UHFFFAOYSA-N	271.311	1.859	10	20	CDCD	
CC[C@@H]1OCC[C@H]1NC(=O)/C=C/c1ccc(O)c(O)c1	838298340	JXUBBPQPEUXTET-OZAOCKQISA-N	277.320	1.795	10	20	CDCD	
CC[C@@H](O)[C@H](C)C(=O)NCc1cccc(OC)c1O	901127545	KNWNDAZROUSRGA-GXSJLCMTSA-N	267.325	1.424	10	20	CDCD	
COc1cc(O)ccc1NS(=O)(=O)N1CC[C@H](C)C1	901704719	VDARYCHTMYVRJL-VIFPVBQESA-N	286.353	1.399	10	20	CDCD	
COc1cccc(O)c1CNCCc1cnc(C)cn1	835060110	AMUMMMIZFJAFKC-UHFFFAOYSA-N	273.336	1.832	10	20	CDCD	
COc1ccc(O)c(CNC(=O)NCc2cc(C)[nH]n2)c1	739020737	FLBOODSBPPYCLV-UHFFFAOYSA-N	290.323	1.432	10	20	CDCD	
O=C(O)[C@@H](NCc1ccc2c(c1)CCO2)c1cccnc1	833170585	YUMCVUQWIDSCFL-HNNXBMFYSA-N	284.315	1.932	10	20	CDCD	
O=C1[C@H](NCc2cc(F)ccc2O)C[C@H]2CCCCN12	835075011	UJGYWFALLPANIB-CHWSQXEVSA-N	278.327	1.774	10	20	CDCD	
C[C@H](CC(=O)NCCc1ccc(O)c(O)c1)n1ccnc1	917355566	IWWMGTNVLZJLCT-LLVKDONJSA-N	289.335	1.604	10	20	CDCD	
CCc1cccc(CN2CCn3ncnc3C2)c1O	848902145	AFTLYHMAYYETKO-UHFFFAOYSA-N	258.325	1.562	10	20	CDCD	
C/C=C/C=C\C(=O)OCC(=O)c1ccc(O)c(O)c1	916590045	BGAIYKNTYGYQON-IAROGAJJSA-N	262.261	1.956	10	20	CDCD	
CN(C)[C@@H]1CCC[C@H](NC(=O)c2cccc(O)c2O)C1	185802623	UKXKOQKHHKBLMQ-WDEREUQCSA-N	278.352	1.700	10	20	CDCD	
Nc1ccc(CCNC(=O)N2CCOC[C@H]2C2CC2)cc1	841960478	RPFHQSMFSQYOJE-HNNXBMFYSA-N	289.379	1.632	10	20	CDCD	
COc1cc(O)c(CNCc2ccno2)cc1OC	843402611	KZEJVKSKGVHQSZ-UHFFFAOYSA-N	264.281	1.687	10	20	CDCD	
Oc1ccc(Cl)c(F)c1CNC[C@@H]1CNCCO1	841100284	BAMMRHYLESBWPT-QMMMGPOBSA-N	274.723	1.263	10	20	CDCD	
CCOc1ccc(O)c(CN[C@H](CN)C2CC2)c1	841028349	PAIOYNCOAAZGTH-CYBMUJFWSA-N	250.342	1.618	10	20	CDCD	
C[C@H]1CCC[C@]1(O)CNC(=O)NCCc1ccc(N)cc1	841955902	QYAKZFNVMICMPE-LRDDRELGSA-N	291.395	1.662	10	20	CDCD	
CC(C)(C)N1CC[C@@H](NC(=O)Cc2ccc(N)cc2)C1=O	843503967	IDNXYXKPEZMEEQ-CYBMUJFWSA-N	289.379	1.327	10	20	CDCD	
COc1cccc([C@@H](C)NC[C@H](O)COCC2CC2)c1O	846142385	SHGXLWSKEQJZDX-YPMHNXCESA-N	295.379	1.839	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCCN1C	748558277	XIHFZZYHULIGJQ-OAHLLOKOSA-N	275.396	1.805	10	20	CDCD	
Cc1nnc(CNC(=O)c2cc(O)cs2)n1C1CC1	758584710	YUQUCROAVQTARD-UHFFFAOYSA-N	278.337	1.619	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@H]2CCOC2)c1	756769284	PIRZZFGTSMTXDM-ONGXEEELSA-N	265.309	1.618	10	20	CDCD	
C[C@@H]1COC[C@@H]1NC(=O)N[C@H](C)c1ccccc1O	926031872	MOFNRYLBOUSJQF-FOGDFJRCSA-N	264.325	1.787	10	20	CDCD	
CC(=O)CCn1cc(COc2ccc(N)cc2)nn1	864643490	ONTYPGNHZTZDPT-UHFFFAOYSA-N	260.297	1.418	10	20	CDCD	
C[C@H](N[C@@H]1COCC[C@H]1O)c1cc(F)cc(F)c1O	866498493	XXLVZTPLASPBRR-UPZJHPNMSA-N	273.279	1.471	10	20	CDCD	
CC(C)[C@H](NC=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	860950639	QOXVJSGBPPXDAJ-DOMZBBRYSA-N	291.395	1.700	10	20	CDCD	
CCN1CC(=O)N[C@H]1c1c(O)cccc1Br	864386605	FRUZFBXOQPSIFY-LLVKDONJSA-N	285.141	1.605	10	20	CDCD	
Cn1cccc1CNC(=S)NC[C@H]1CCCCO1	1116388223	CDRGOPBYZYGGFS-GFCCVEGCSA-N	267.398	1.558	10	20	CDCD	
CCOC(=O)C1=NN(c2cc(F)cc(OC)c2)C(=O)[C@@H]1C	871959476	SMWYVXQJTPJTCM-MRVPVSSYSA-N	294.282	1.736	10	20	CDCD	
CC[C@H](NC[C@@H](O)CN1CCCC1)c1ccccc1O	775413243	ZEUUXDXDQVOTSG-HIFRSBDPSA-N	278.396	1.890	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCCN2CCC[C@@H]2C1	1118555759	NVJAZIZFDAZPAG-SNVBAGLBSA-N	266.366	1.764	10	20	CDCD	
Cc1ccc(O)c([C@@H](C)NCc2nnc3c(=O)[nH]ccn23)c1	886704382	DOJBMPBEMDDEHN-SNVBAGLBSA-N	299.334	1.282	10	20	CDCD	
COC(=O)N1CC(NCc2cc(F)cc(F)c2O)C1	883051390	ZPIVHJMLRFHDJE-UHFFFAOYSA-N	272.251	1.211	10	20	CDCD	
Nc1ccc(OCc2cn(CCCn3ccnc3)nn2)cc1	881301386	WISXEZMTNAQQQQ-UHFFFAOYSA-N	298.350	1.726	10	20	CDCD	
C[C@@H]1CCc2n[nH]cc2[C@@H]1C(=O)NCc1ccc(N)cc1	1122445572	VFUKGWXVFRKIQK-MEBBXXQBSA-N	284.363	1.974	10	20	CDCD	
CCN1CC(=O)N[C@@H]1c1cc(C)cc(OC)c1O	887330066	XBKLRDYVXYKGGC-ZDUSSCGKSA-N	250.298	1.160	10	20	CDCD	
COc1ccc(CNCCNC(=O)C[C@H](C)OC)cc1C	1124599684	DBYVJGDFTGNOBR-ZDUSSCGKSA-N	294.395	1.634	10	20	CDCD	
CCOc1ccc(O)c(CNC2(C)CN(C(=O)OC)C2)c1	894542538	MNLLJLDKGCFTQA-UHFFFAOYSA-N	294.351	1.721	10	20	CDCD	
CN(C)c1ccc([C@H](CN[C@H]2CCOC2)N(C)C)cc1	898451296	WXWDXCPBXXBMKD-HOCLYGCPSA-N	277.412	1.734	10	20	CDCD	
COc1ccc(CNC(=O)[C@@H]2CCCN2C2CC2)c(O)c1	794389417	NCRHVLREOHARJT-AWEZNQCLSA-N	290.363	1.644	10	20	CDCD	
C[C@H](NCC1(CO)CCOCC1)c1ccc(F)cc1O	186149594	MLSFDMFMUUHGGB-NSHDSACASA-N	283.343	1.971	10	20	CDCD	
COCCN1CC[C@H](N[C@@H](C)c2cc(F)ccc2O)C1	273371038	CKMOZWBKFUUMPA-AAEUAGOBSA-N	282.359	1.903	10	20	CDCD	
COCCN1CC[C@H](N[C@@H](C)c2ccc(F)cc2O)C1	273572575	KZNUUFVNENWGFF-AAEUAGOBSA-N	282.359	1.903	10	20	CDCD	
CC(=O)c1cc(F)cc(CN(CCO)CC2CC2)c1O	708575707	UREVHOTXGBSDPK-UHFFFAOYSA-N	281.327	1.938	10	20	CDCD	
CCOc1cccc(CNC[C@@](C)(O)COC)c1O	69911834	GGWCECUADFSZJM-CQSZACIVSA-N	269.341	1.278	10	20	CDCD	
C[C@@H](C(=O)NCCc1ccc(O)c(O)c1)C(F)(F)F	762262183	UMWPUXIRFGNWCZ-ZETCQYMHSA-N	277.242	1.955	10	20	CDCD	
CNC(=O)C1(NCc2cc(C)cc(OC)c2O)CCCC1	1331994227	OFVMISUYGGTVQJ-UHFFFAOYSA-N	292.379	1.858	10	20	CDCD	
C[C@@H]1CC[C@@H](C)N1[C@H](C)C(=O)NCc1cccc(O)c1O	1348048634	VYKVYZPATFJBQY-IJLUTSLNSA-N	292.379	1.975	10	20	CDCD	
O=C(NCc1cccc(O)c1O)[C@@H]1CCN1C1CCCC1	1352672719	XDOYXXDYVYNWMM-ZDUSSCGKSA-N	290.363	1.731	10	20	CDCD	
O=C(O)[C@@H](CC(F)F)NCc1cc2c(cc1O)OCO2	1610716071	WNNOGTMBEHHLOL-SSDOTTSWSA-N	289.234	1.319	10	20	CDCD	
C[C@@H](NC[C@@H]1CCCN1)c1cc(C(=O)O)ccc1O	1593254995	ALTKFJCMIPLWRE-KOLCDFICSA-N	264.325	1.493	10	20	CDCD	
COC[C@H](CCN[C@@H](C)c1cc(C(=O)O)ccc1O)OC	1599162600	CIBSQIHPCCOKEP-JQWIXIFHSA-N	297.351	1.793	10	20	CDCD	
C[C@@H](NC[C@@H](C)N(C)C)c1cc(C(=O)O)ccc1O	1593239933	IMZIXUKQKXFULI-NXEZZACHSA-N	266.341	1.691	10	20	CDCD	
O=C1NC(=S)S/C1=C\c1ccc(C(=O)O)nc1	1777698852	CAFPZCDCAUDRLR-CLTKARDFSA-N	266.303	1.269	10	20	CDCD	
CCN(C)c1ccc(CNC[C@H](O)CC(=O)O)c(C)c1	1776856321	KNAMLQDCTILMIB-CQSZACIVSA-N	280.368	1.376	10	20	CDCD	
C[C@H](O)CCNC(=O)NCCCSc1nccs1	154602344	HROGAIWJZIJPLI-VIFPVBQESA-N	289.426	1.695	10	20	CDCD	
Oc1c(Cl)cccc1CN1CCN([C@H]2CCOC2)CC1	827119516	MQVGQIQFVAFWKD-ZDUSSCGKSA-N	296.798	1.952	10	20	CDCD	
Oc1ccc(Cl)cc1CN1CCN([C@@H]2CCOC2)CC1	827120744	VKZBWJIIMUJVMZ-CQSZACIVSA-N	296.798	1.952	10	20	CDCD	
CO[C@]1(CNCc2cc(C)ccc2O)CCOC1	122881342	GIHCBBJBIDLMRO-AWEZNQCLSA-N	251.326	1.596	10	20	CDCD	
CCc1nn(C)cc1NC(=O)c1cccc(O)c1O	234160145	MJELYZYAPNCSLE-UHFFFAOYSA-N	261.281	1.646	10	20	CDCD	
CCOc1cccc(CN2CCC[C@H](NC)C2)c1O	53201205	FWUJBFTWIXRNTF-ZDUSSCGKSA-N	264.369	1.975	10	20	CDCD	
C[C@H](N[C@@H]1CCCN(C)C1=O)c1cc(F)ccc1O	704357783	QYRWXTPQPCAGAQ-JOYOIKCWSA-N	266.316	1.803	10	20	CDCD	
CN1CCCN(Cc2cc(F)cc(F)c2O)CC1	708423344	SHYIWTOFLGLXCQ-UHFFFAOYSA-N	256.296	1.808	10	20	CDCD	
CCc1cccc(CNC[C@@]2(O)CCO[C@H]2C)c1O	691439546	ZHVPDSLWVAPNLX-NHYWBVRUSA-N	265.353	1.584	10	20	CDCD	
Cn1nccc1CCN[C@@H]1CCc2cccc(O)c21	381742745	PNFYBTKYNSGXOE-CYBMUJFWSA-N	257.337	1.945	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@H]2CC[C@H]1NC2	394665021	CGHFDEVKHWRCHT-MRVWCRGKSA-N	274.364	1.739	10	20	CDCD	
O=C1CCCN1CCNCc1ccc(N2CCCC2)cc1	405316131	ACHVUSDQWPAHSP-UHFFFAOYSA-N	287.407	1.999	10	20	CDCD	
O=C(O)c1cc(S(=O)(=O)Nc2ccc(O)cc2)cs1	70156425	JHMKCDUIKNWMLR-UHFFFAOYSA-N	299.329	1.953	10	20	CDCD	
CCOC(=O)c1cnc(SCCC(N)=O)s1	399209801	QJOHYWYXWDCLEP-UHFFFAOYSA-N	260.340	1.287	10	20	CDCD	
CC(C)(C)OC(=O)NCCNC(=O)c1cccc(O)c1O	38242629	HROJEFVKNKOXMB-UHFFFAOYSA-N	296.323	1.352	10	20	CDCD	
Nc1ccc(NC(=O)Cn2cc(Br)cn2)cc1	38054005	CFIZMQZBWJFBFW-UHFFFAOYSA-N	295.140	1.867	10	20	CDCD	
O=C1OC[C@@H]2CN(Cc3cc(Cl)ccc3O)CCN12	378344837	DAMYFQIKNKKCHG-NSHDSACASA-N	282.727	1.682	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)[C@@H]2COCCO2)cc1	193748555	TZPRVBMJPLABSA-HNNXBMFYSA-N	292.379	1.564	10	20	CDCD	
OC[C@@H]1CCN(Cc2cccc(Br)c2O)C1	92764110	XBECTEBRQKMCTD-SECBINFHSA-N	286.169	1.969	10	20	CDCD	
Cc1cc(C(=O)N2CCNCC2)c(C)n1-c1ccccn1	237698080	QEVBMXDKGQYRRJ-UHFFFAOYSA-N	284.363	1.535	10	20	CDCD	
COc1ccc(O)c(CNC[C@](C)(O)CSC)c1	182430779	WEMTZTRMZRWBPC-ZDUSSCGKSA-N	271.382	1.604	10	20	CDCD	
C[C@H](NCC(=O)NCC1CC1)c1ccc(N(C)C)cc1	181291369	ZVYYILCCPSTUNO-LBPRGKRZSA-N	275.396	1.929	10	20	CDCD	
Oc1cccc(Cl)c1CNCc1nnc2n1CCC2	264943659	HMVGYAUTTWVJMP-UHFFFAOYSA-N	278.743	1.873	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)CCCC(N)=O	275086498	FWQLMNFRBMJXNR-UHFFFAOYSA-N	291.351	1.134	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)NCCCOCCO)c1	273438745	MLJLZXIVSDQSAY-NSHDSACASA-N	297.351	1.228	10	20	CDCD	
COc1ccc(CN(C)c2ccc3c(c2)OCO3)nn1	282983661	DOWFJXJXYBANNO-UHFFFAOYSA-N	273.292	1.850	10	20	CDCD	
CC[C@H](CNC(=O)NCc1cccc(OC)c1O)OC	290977210	CKMKINXPZVQGGO-LLVKDONJSA-N	282.340	1.625	10	20	CDCD	
CCOCCO[C@@H](C)C(=O)NCc1ccccc1O	299533150	HCGWEXWUZVFUMT-NSHDSACASA-N	267.325	1.450	10	20	CDCD	
COc1cc(O)c(CNCC2=CCCOC2)cc1OC	290153127	LFQSYZCSKWJJCB-UHFFFAOYSA-N	279.336	1.846	10	20	CDCD	
CN(Cc1ccccc1O)S(=O)(=O)CC[C@H]1CCOC1	293671222	ZLNKMCAUPMOVNS-GFCCVEGCSA-N	299.392	1.580	10	20	CDCD	
CSc1ccccc1C(=O)OCC(=O)C(C)=O	808491393	YCWSXYZTTLAACT-UHFFFAOYSA-N	252.291	1.723	10	20	CDCD	
CC[C@H]1CN(C)CCN1C(=O)/C=C/c1ccc(O)c(O)c1	818977068	AALUMWVWKOQIEY-IYNGYCSASA-N	290.363	1.664	10	20	CDCD	
COc1ccc(O)c(CNC[C@@H]2CCOC[C@H]2OC)c1	824709758	SOPORLWCWYIYDE-XHDPSFHLSA-N	281.352	1.542	10	20	CDCD	
CC(C)CS(=O)(=O)CC(=O)N[C@H](C)c1ccccc1O	827930951	WFKFUIQLKNGLAO-LLVKDONJSA-N	299.392	1.640	10	20	CDCD	
Cc1nnc(CCC(=O)N[C@H](C)c2ccccc2O)o1	827956584	NKLNWXGTPWICIB-SECBINFHSA-N	275.308	1.894	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)Cc2cnc[nH]2)c1	901127894	OZECBQBZAVDPMV-SECBINFHSA-N	275.308	1.544	10	20	CDCD	
COCCN(CCC(=O)O)Cc1cc(C)c(C)cc1O	904270007	UIJQBIPJRPMVJM-UHFFFAOYSA-N	281.352	1.932	10	20	CDCD	
CN(C)c1ccc([C@H](N)CNC(=O)c2ccc[nH]2)cc1	832281948	WAPJAGVKLARZNC-CYBMUJFWSA-N	272.352	1.511	10	20	CDCD	
Nc1ccc(CC(=O)N2CCC[C@H]2c2cc[nH]n2)cc1	832009107	UVVZFLWUSDUUEU-AWEZNQCLSA-N	270.336	1.898	10	20	CDCD	
C[C@H](NC[C@@]1(O)CCOC1)c1ccc(Cl)cc1O	841751524	NLOVPJVGZBKWMD-ZANVPECISA-N	271.744	1.848	10	20	CDCD	
Cn1nc(C(=O)NCc2ccccc2O)cc1C1CC1	743327416	MYSISJQDCPJCIX-UHFFFAOYSA-N	271.320	1.933	10	20	CDCD	
COCCOC[C@@H](C)NCc1cccc(OC)c1O	742376783	HFUWXPXCDSJNHS-LLVKDONJSA-N	269.341	1.542	10	20	CDCD	
CNCCN(C)C(=O)NCc1ccc(N(C)C)cc1C	841825726	BZGWPCQSJXWAAD-UHFFFAOYSA-N	278.400	1.422	10	20	CDCD	
O=C1C[C@@H](CN[C@@H]2CCc3cccc(O)c32)CN1C1CC1	846205496	HPIDBMVZIILMPG-SMDDNHRTSA-N	286.375	1.980	10	20	CDCD	
C[C@@H]1CC[C@@H](C)N1CC(=O)NCCc1ccc(N)cc1	844164422	HTVRIAZBQIQVDD-CHWSQXEVSA-N	275.396	1.800	10	20	CDCD	
CCOc1ccc(CN2CC(S(=O)(=O)CC)C2)c(O)c1	841885551	CVAXVOMQYAGENM-UHFFFAOYSA-N	299.392	1.410	10	20	CDCD	
CN(C)c1ccc(CN(CCS(N)(=O)=O)C2CC2)cc1	741053515	MRDQDJWALXNZCV-UHFFFAOYSA-N	297.424	1.006	10	20	CDCD	
COC(=O)CCCNC(=O)NCCc1ccc(N)cc1	841630064	FBXDPNRMGGGEJU-UHFFFAOYSA-N	279.340	1.064	10	20	CDCD	
C[C@@H](O)[C@@H]1NC(=O)N([C@H](C)c2ccc(N(C)C)cc2)C1=O	924716586	IWHURPUCAFBRKT-BREBYQMCSA-N	291.351	1.115	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N=S1(=O)CCCC1	925913988	NFERBUCPIITZML-GQCTYLIASA-N	281.333	1.899	10	20	CDCD	
CC[C@H](N[C@@H]1CCOC[C@H]1O)c1ccc(F)cc1O	858552882	WRPACHOTQAYWGK-OUCADQQQSA-N	269.316	1.722	10	20	CDCD	
CCC[C@H](O)CCNCc1cc([N+](=O)[O-])ccc1O	922824455	GIHGGFJRORTTAV-LBPRGKRZSA-N	268.313	1.941	10	20	CDCD	
Cc1ccc(C(=O)NOCC2CCC2)c(O)c1O	856350496	XFKBURCKEISSIC-UHFFFAOYSA-N	251.282	1.868	10	20	CDCD	
CN(CC1=CCCOC1)C(=O)Cc1ccc(N)cc1	696937735	KCDFYFOEWLFSCM-UHFFFAOYSA-N	260.337	1.616	10	20	CDCD	
COc1ccc(O)c(CN2CC[C@@H](C)[C@@H](CO)C2)c1	857061173	LEVNLAQBPFFZBE-DGCLKSJQSA-N	265.353	1.851	10	20	CDCD	
CC[C@@H](C)NC(=O)COC(=O)/C=C/c1ccc(O)c(O)c1	759578256	GCCXILAVLDROSL-BREXMAIKSA-N	293.319	1.569	10	20	CDCD	
CCOCc1cc(CN[C@@H]2COCC[C@H]2O)ccc1OC	865750620	TVZJBSFVRZSIMU-HUUCEWRRSA-N	295.379	1.471	10	20	CDCD	
CCC[C@H]1C(=O)NCCN1Cc1ccc(N(C)C)c(F)c1	769516360	SZRVBSSDRBFQCU-HNNXBMFYSA-N	293.386	1.992	10	20	CDCD	
O=C(NCc1ccccc1O)c1ccc2nnc(O)n2c1	763027423	XAUUUUHSAAPXDH-UHFFFAOYSA-N	284.275	1.071	10	20	CDCD	
CN(Cc1cc2c(cc1O)OC[C@H]2O)C[C@H]1CCOC1	768462700	BXVMTAOLFMAOIP-QMTHXVAHSA-N	279.336	1.286	10	20	CDCD	
C[C@@H]1C[C@H](C(=O)NCCc2ccc(O)c(O)c2)CCC1=O	764849361	QHCLXVPYDXXWFM-ZYHUDNBSSA-N	291.347	1.762	10	20	CDCD	
Cc1ccc(CN[C@@H]2C[C@H]3CCCCN3C2=O)c(O)c1	877578423	CJLFWYKJYPEBIS-ZIAGYGMSSA-N	274.364	1.944	10	20	CDCD	
Cc1cccc(O)c1CNCCOC[C@H]1CCOC1	877007483	RXTRGRNLTPAPDT-ZDUSSCGKSA-N	265.353	1.843	10	20	CDCD	
C[C@@H](NC(=O)NCC(=O)N1CCCC1)c1ccccc1O	1118970505	LIGZLLDYYHQOIF-LLVKDONJSA-N	291.351	1.375	10	20	CDCD	
C[C@H](NC(=O)[C@H]1CC(=O)N(C)C1)c1ccc(N(C)C)cc1	773010278	NUIVRQQITNWRDK-AAEUAGOBSA-N	289.379	1.408	10	20	CDCD	
COC[C@@H](C)CC(=O)N[C@H](C)Cc1ccc(O)c(O)c1	773767813	PWCWNZQQJPZDJR-WDEREUQCSA-N	281.352	1.818	10	20	CDCD	
Nc1ccc(CN2CCN(C(=O)N3CCCC3)CC2)cc1	1120263943	XBZSJOXJMLQNCQ-UHFFFAOYSA-N	288.395	1.602	10	20	CDCD	
C[C@@H](CN1CCOCC1)N[C@@H](C)c1c(O)cccc1F	886503984	MPSBDJJPBIUFBT-RYUDHWBXSA-N	282.359	1.903	10	20	CDCD	
C[C@@H](NCCc1cncn1C)c1cc([N+](=O)[O-])ccc1O	788258998	ZNAPQEZSFSKWJO-SNVBAGLBSA-N	290.323	1.927	10	20	CDCD	
Oc1ccc(Cl)c(F)c1CNC[C@H]1COCCO1	790948586	LBTNDIJLWVZVMQ-QMMMGPOBSA-N	275.707	1.690	10	20	CDCD	
CCCCN(C)S(=O)(=O)N(C)Cc1ccccc1O	269780889	KJQGRXSWTBFEPZ-UHFFFAOYSA-N	286.397	1.801	10	20	CDCD	
CN1CCN(CCNC(=O)c2cc(O)cs2)CC1(C)C	799853727	ZSTZWVQQRXUHCF-UHFFFAOYSA-N	297.424	1.210	10	20	CDCD	
CCN(CC)C(=O)C(=O)NCc1ccc(N(C)C)cc1C	1323722361	DSZNJQANSJFSSS-UHFFFAOYSA-N	291.395	1.546	10	20	CDCD	
CN[C@H](C)CCN[C@@H](C)c1cc([N+](=O)[O-])ccc1O	1325743052	ITSKDHCZFLZOAH-ZJUUUORDSA-N	267.329	1.949	10	20	CDCD	
COCn1ncc(C)c1CNCc1cccc(OC)c1O	1336813032	MJQORIHZWRYUSP-UHFFFAOYSA-N	291.351	1.799	10	20	CDCD	
C[C@@](CO)(CNCc1ccc2c(c1)CCCO2)CC(=O)O	1335192739	OTNFDELYVSZGGX-INIZCTEOSA-N	293.363	1.575	10	20	CDCD	
CC(C)OC(=O)COC(=O)/C=C\c1ccc(O)c(O)c1	1253338008	IZTWTWVMUDRREZ-XQRVVYSFSA-N	280.276	1.606	10	20	CDCD	
COC(=O)[C@@H]1C[C@H](O)CN1Cc1ccc(N(C)C)cc1C	1348492948	NDGNBHHHPWZWEO-GJZGRUSLSA-N	292.379	1.169	10	20	CDCD	
CCN(CCNC(=O)NCc1ccc(N)cc1)C1CC1	1353311897	PHEBNBDQNXBSNZ-UHFFFAOYSA-N	276.384	1.552	10	20	CDCD	
CN(C)C(=O)[C@@H]1CCCN(C(=O)c2cc(O)cs2)C1	1528910795	SYUJYYRTBKYLDC-SECBINFHSA-N	282.365	1.394	10	20	CDCD	
O=C(NCc1ccccc1O)Nc1cncc(C(=O)O)c1	1605808556	NNMBGNLKEWMYHF-UHFFFAOYSA-N	287.275	1.807	10	20	CDCD	
O=C(O)c1cccc(C(=O)NCc2c(O)cccc2F)n1	1608929317	WDCLSBAAKIATRE-UHFFFAOYSA-N	290.250	1.555	10	20	CDCD	
COCCCCN[C@@H](C)c1cccc(-c2nn[nH]n2)c1O	1605088793	XZTMEXJTVXGCNQ-JTQLQIEISA-N	291.355	1.650	10	20	CDCD	
CC(C)COC[C@H](O)CSc1ncc(C(=O)O)s1	1603822698	GJAJWXHSINOJLN-QMMMGPOBSA-N	291.394	1.967	10	20	CDCD	
COC(=O)c1sc2cnc(SC)nc2c1O	215973739	HPEJRTKLLFGIOF-UHFFFAOYSA-N	256.308	1.905	10	20	CDCD	
C[C@H](NC(=O)[C@H]1CCCN1)c1ccc(N(C)C)cc1	1573569056	MGYTZNDDGONRHR-SMDDNHRTSA-N	261.369	1.682	10	20	CDCD	
CC(C)(C)[C@H](NCc1cc2c(cc1O)OCO2)C(=O)O	1589717482	PMIQINCEZJKVRU-GFCCVEGCSA-N	281.308	1.710	10	20	CDCD	
C[C@H](CCCO)N[C@H](C)c1cccc(-c2nn[nH]n2)c1O	1589821881	YTRZJMQZHGQANS-NXEZZACHSA-N	291.355	1.384	10	20	CDCD	
Nc1ccc(CC(=O)N[C@H]2CCC[C@@H]3OCC[C@H]23)cc1	163109942	VXLLPVVEJUPFCJ-ILXRZTDVSA-N	274.364	1.885	10	20	CDCD	
COc1cccc(O)c1CN1CC[C@@H]([C@@H](C)N)C1	843058452	SMLPCBGVLFIBFW-GHMZBOCLSA-N	250.342	1.570	10	20	CDCD	
COCCCN(CCOC)C(=O)c1cccc(O)c1O	126328410	JFBUIXCXKMLFLF-UHFFFAOYSA-N	283.324	1.223	10	20	CDCD	
CCN(Cc1cc(OC)ccc1O)[C@@H]1CCS(=O)(=O)C1	179562294	CZSJHWJKKJUCCD-GFCCVEGCSA-N	299.392	1.410	10	20	CDCD	
CCOC(=O)[C@H](C)N1CCCc2cc(CN)ccc21	700821210	VSIYCBXTSNKDTK-NSHDSACASA-N	262.353	1.850	10	20	CDCD	
CCc1cccc(CNC[C@]2(O)CCSC2)c1O	702276602	CGKIKPRERKONTC-CQSZACIVSA-N	267.394	1.912	10	20	CDCD	
COc1ccc(O)c(CNC(=O)NC[C@H]2CCCN2C)c1	114592008	YMGWMKNHIYHDQX-GFCCVEGCSA-N	293.367	1.294	10	20	CDCD	
CC[C@@H](O)CN[C@@H](C)c1ccc(N2CCOCC2)cc1	305756861	BFXJCOBIDQSOJR-XJKSGUPXSA-N	278.396	1.945	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCCOC1	186438924	FTPSEFKOLBIMRZ-CMPLNLGQSA-N	279.336	1.572	10	20	CDCD	
C[C@@H](NCC(C)(C)C(N)=O)c1cc(F)ccc1O	186221830	JINJETSFHJDQID-MRVPVSSYSA-N	254.305	1.693	10	20	CDCD	
Cc1ccc(C(=O)N2CCC(C)(CO)CC2)c(O)c1O	183731172	WVPFMWDOELJWHC-UHFFFAOYSA-N	279.336	1.641	10	20	CDCD	
COc1ccc(N2CCN(c3ncccn3)CC2)cc1F	71711548	DINULGIVYBBLGG-UHFFFAOYSA-N	288.326	1.951	10	20	CDCD	
COc1ccc(O)c(CN2CCC[C@@H](C(N)=O)C2)c1	183374705	RAXRWVOKSKHERS-SNVBAGLBSA-N	264.325	1.098	10	20	CDCD	
C[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)[C@@H]1CO	189432243	JYBZZJLPNIWSJS-VSEZHWFZSA-N	277.320	1.340	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)C(C)(C)O)c1	191858058	FESUGHPSGOJQCM-MRVPVSSYSA-N	253.298	1.349	10	20	CDCD	
COc1ccc(N(C)C[C@H](O)COC(C)C)c(OC)c1	132071835	BDJGRTNDYBJHID-LBPRGKRZSA-N	283.368	1.926	10	20	CDCD	
O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1CCCNC1	195171545	DSTFYYWAIJXPNK-HNNXBMFYSA-N	287.407	1.903	10	20	CDCD	
O=[N+]([O-])c1cnc(Sc2nnnn2C2CC2)s1	190308882	GINVNGFHSIEPKI-UHFFFAOYSA-N	270.299	1.524	10	20	CDCD	
CCOc1cccc(CN2CCNCC2(C)C)c1O	88137909	SKXNMQXAJRJQCX-UHFFFAOYSA-N	264.369	1.975	10	20	CDCD	
CC(=O)N1CCCN(C(=O)c2ccc(C)c(O)c2O)CC1	363319862	RAAUCLMVQNMYKZ-UHFFFAOYSA-N	292.335	1.101	10	20	CDCD	
COCC[C@@H](C)NCc1ccc([N+](=O)[O-])c(OC)c1O	278614479	FFZXUBXXDBAOOX-SECBINFHSA-N	284.312	1.824	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCOC1	273224478	VYICZHJYFBLPHO-GXSJLCMTSA-N	265.309	1.182	10	20	CDCD	
O=C(NCc1ccc(N2CCCC2)cc1)c1cnc[nH]1	299635610	LVPBQNDWXWYDFH-UHFFFAOYSA-N	270.336	1.940	10	20	CDCD	
CC[C@@H]1CN(Cc2ccccc2O)C[C@@H](C)S1(=O)=O	809725542	VVOLDQIYHUUSDN-DGCLKSJQSA-N	283.393	1.790	10	20	CDCD	
C[C@@H](O)CSCC(=O)NCc1ccc(N(C)C)cc1	298268260	OZFYWPNMYZOPLP-LLVKDONJSA-N	282.409	1.483	10	20	CDCD	
N[C@@H]1CCC[C@H]1NCc1ccc(N2CCOCC2)cc1	817894915	OWCDFCOVHGJGKK-HZPDHXFCSA-N	275.396	1.493	10	20	CDCD	
COC[C@H](C)N1C(=O)CN(Cc2ccccc2O)C1=O	819165704	CMYFVBUBQSDLJS-JTQLQIEISA-N	278.308	1.191	10	20	CDCD	
COC(=O)c1cnc(SC[C@H]2COCCO2)s1	829680862	GRYGKZAJTAUSSP-SSDOTTSWSA-N	275.351	1.437	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H](O)CCSC)c1	827304262	VUBWBFIIBPAQGE-ZANVPECISA-N	299.392	1.692	10	20	CDCD	
CC[C@H](C(=O)N[C@H](C)c1ccccc1O)C(=O)OC	827946902	URXCKDNCHMJUFT-NXEZZACHSA-N	265.309	1.769	10	20	CDCD	
CO[C@@H]1CN(Cc2cc(C)c(C)cc2O)C[C@H]1O	825017185	OCKCBLAFKCBFFN-ZIAGYGMSSA-N	251.326	1.201	10	20	CDCD	
O=C(COC(=O)c1cc(O)cs1)NCc1ccccc1	731910950	XKZGXWOOLITIPQ-UHFFFAOYSA-N	291.328	1.927	10	20	CDCD	
Cc1nonc1C(=O)NCc1ccc(N(C)C)cc1	733887730	PHKIXWBIVLYMQC-UHFFFAOYSA-N	260.297	1.374	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)CCn1cccn1	734467780	DHEZJMNAPBLUBI-UHFFFAOYSA-N	286.379	1.964	10	20	CDCD	
C[C@@H](NC(=O)c1cc(O)cs1)C(=O)N1CCCC[C@H]1C	732282339	MKANVABJCNHXFY-NXEZZACHSA-N	296.392	1.973	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@@H](C)C[C@@H](C)N)c1	831203784	ZROGDNPIQPIPCZ-VWYCJHECSA-N	295.383	1.887	10	20	CDCD	
Cc1nc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)n(C)n1	836207920	KWDACPRDHVHZIO-SNVBAGLBSA-N	287.367	1.681	10	20	CDCD	
COc1cc(CN=c2nc[nH]n2C)c(O)c(C(C)(C)C)c1	849345968	WHOMOSAQARBGNZ-UHFFFAOYSA-N	290.367	1.861	10	20	CDCD	
COc1cc(O)c(CNC[C@@]2(C)CCCNC2)cc1OC	841057455	NJGUTXNSDSDBEJ-INIZCTEOSA-N	294.395	1.889	10	20	CDCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NCc1cnnn1C	840978023	ZGTQPZRMZMPGEU-CYBMUJFWSA-N	287.411	1.910	10	20	CDCD	
CCOc1ccc(CN2CC[C@H]3NCC[C@@H]3C2)c(O)c1	843126289	HUHPEXPCRMPPEG-IUODEOHRSA-N	276.380	1.975	10	20	CDCD	
O=C(OCCC1(O)CCC1)c1cccc(O)c1O	840458399	BVXFWHKAAGEDHK-UHFFFAOYSA-N	252.266	1.560	10	20	CDCD	
CCCNCCNCc1cc(OC)c(OC)cc1O	841046804	NVKIVSQLQCVHCX-UHFFFAOYSA-N	268.357	1.499	10	20	CDCD	
Cc1cc(O)c(CN2CCO[C@@H]([C@H](C)N)C2)cc1C	843057545	JOQXPUUAZIXDEN-SWLSCSKDSA-N	264.369	1.557	10	20	CDCD	
C[C@H](CN)NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	841969389	LGYKNGLUDMPYME-GFCCVEGCSA-N	290.411	1.774	10	20	CDCD	
CCNCCNC(=O)NCc1ccc2c(c1)CCCN2C	841758432	HKYYVECWKUWATH-UHFFFAOYSA-N	290.411	1.478	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)N[C@H](C)c2ncnn2C)c1	858386588	RUXCIYGLAGKPSX-SNVBAGLBSA-N	289.339	1.390	10	20	CDCD	
O=C(N[C@@H]1CCc2c[nH]nc2C1)c1cc(O)cs1	759098336	CDAAWFXNNMISAV-MRVPVSSYSA-N	263.322	1.464	10	20	CDCD	
C[C@@H](NC(=O)N[C@H](C)c1ccc(N(C)C)cc1)C(=O)O	929044386	MJBZLWYSIMIRBL-NXEZZACHSA-N	279.340	1.586	10	20	CDCD	
COC(=O)[C@H]1C[C@H](NC(=O)c2cc(O)cs2)C1	856367274	HYQSMTGIWRFUHN-LJGSYFOKSA-N	255.295	1.135	10	20	CDCD	
COC(=O)[C@@H](C)n1cc(COc2ccc(N)cc2)nn1	864644438	GEJAUABWHYYELK-SECBINFHSA-N	276.296	1.173	10	20	CDCD	
COc1cccc(CNC(=O)Cc2ccco2)c1O	769508540	XDAUOSSIRGIKAB-UHFFFAOYSA-N	261.277	1.853	10	20	CDCD	
C[C@@H]1OCCN(Cc2cc3c(cc2O)OC[C@H]3O)[C@@H]1C	768463378	SHOBXWBXPMSRKO-ISTVAULSSA-N	279.336	1.427	10	20	CDCD	
Cn1ncc2c1CN(Cc1cc3c(cc1O)OCO3)C2	877633022	WCKHHMLMHITBGI-UHFFFAOYSA-N	273.292	1.370	10	20	CDCD	
C[C@@H](N[C@@H]1CCOC[C@H]1O)c1cc(F)cc(F)c1O	872140985	HAKDCYAEKIEAHL-NZXMKCKXSA-N	273.279	1.471	10	20	CDCD	
C[C@H](NCc1nccc(N)n1)c1ccc(N(C)C)cc1	775835658	HQZGGEGSMUEXNC-NSHDSACASA-N	271.368	1.976	10	20	CDCD	
CCN1C[C@@H](N[C@H](C)c2c(O)cccc2F)CC1=O	886619130	TVWPESBOUARPKD-ZJUUUORDSA-N	266.316	1.803	10	20	CDCD	
COc1cc(C)cc(CN[C@@H]2CCN(C(C)=O)C2)c1O	895379381	VGLIRGWGOLOLEB-CYBMUJFWSA-N	278.352	1.420	10	20	CDCD	
Nc1ccc(CNC(=O)[C@@H](N)C2CCCCC2)cc1	83449302	MGTYWCNCSKCDAO-AWEZNQCLSA-N	261.369	1.793	10	20	CDCD	
COc1ccc(CNC(=O)c2cnc(C)cn2)c(O)c1	794379338	PMWRUBRTHQKDIV-UHFFFAOYSA-N	273.292	1.429	10	20	CDCD	
CC[C@@H](CCO)NC(=O)c1c(F)ccc(O)c1O	790074062	AEMROGVIMBBIBK-ZETCQYMHSA-N	257.261	1.128	10	20	CDCD	
O=C(O[C@@H]1CCN(C2CC2)C1=O)c1cc(O)cs1	1319383293	LCAZJQNHVFPAQM-SECBINFHSA-N	267.306	1.374	10	20	CDCD	
Nc1ccc(CNC(=O)NCC[C@@H](O)C2CC2)cc1	1335723927	DKRJSNWUKBUDGD-CYBMUJFWSA-N	263.341	1.229	10	20	CDCD	
CO[C@@H]1CCCN(c2nnc(-c3sccc3O)n2C)C1	1337956486	KPSMBKCISULBBJ-SECBINFHSA-N	294.380	1.864	10	20	CDCD	
C[C@@H](C[C@@H](C)N)NC(=O)NCc1ccc(N)cc1	1346499824	DOGIZAQTNHRBDH-ZJUUUORDSA-N	250.346	1.194	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)C12CCCN1CCC2	1350788747	KQLZZRNADVTOIA-UHFFFAOYSA-N	276.336	1.342	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2C[C@H]2F)c1	1519817724	ODIHNLZSGXVTTQ-WHGOUJPWSA-N	253.273	1.936	10	20	CDCD	
O=C(O)Cn1cc(NCc2cc(F)c(F)cc2O)cn1	1606340747	AWJBDQLKIRODQB-UHFFFAOYSA-N	283.234	1.564	10	20	CDCD	
COc1ccc(O)c(CN2C[C@H]3CCNC[C@H]3C2)c1	1579230374	JHWVZUDXYXTLBM-YPMHNXCESA-N	262.353	1.442	10	20	CDCD	
C[C@H](NC1CCN(CC(=O)O)CC1)c1ccc(F)cc1O	1589124184	RIWPFOYBWSESJZ-JTQLQIEISA-N	296.342	1.731	10	20	CDCD	
C[C@@H]1C[C@@H](C(=O)O)CN(C(=O)c2cc(O)cs2)C1	1589272707	PRCJAJHPSFSSOV-HTQZYQBOSA-N	269.322	1.637	10	20	CDCD	
CN1CCN(Cc2cc(Cl)ccc2O)C[C@@H](C(=O)O)C1	1598619099	GXMIOCUJQZLYMM-NSHDSACASA-N	298.770	1.494	10	20	CDCD	
Cc1cc(Br)cc(CN(C)CC(N)=O)c1O	162809436	JFLWUYKDCJQMJR-UHFFFAOYSA-N	287.157	1.380	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NCCN2CCNC2=O)c1	808743443	CUBRPPLQRCDYJJ-SNVBAGLBSA-N	279.340	1.077	10	20	CDCD	
COCCCNC(=O)NCCc1ccc(N)cc1	841506456	XHTLWTVCPSGIAT-UHFFFAOYSA-N	251.330	1.147	10	20	CDCD	
Cc1ccc(CN2CC[C@@H](CS(C)(=O)=O)C2)c(O)c1	877547348	UWNFHDVRKAIPGE-GFCCVEGCSA-N	283.393	1.567	10	20	CDCD	
CC1CCN(CCNC(=O)Cc2ccc(N)cc2)CC1	40770865	VCRVMZZWCDDBOP-UHFFFAOYSA-N	275.396	1.659	10	20	CDCD	
CCCCS(=O)(=O)N(C)Cc1ccccc1O	151260914	XORFHMDZFMMLBW-UHFFFAOYSA-N	257.355	1.954	10	20	CDCD	
Cc1ncc(S(=O)(=O)N(C)Cc2ccccc2O)s1	270036179	ZDBIENXGRJWNFS-UHFFFAOYSA-N	298.389	1.978	10	20	CDCD	
CCS(=O)(=O)CCN[C@@H](C)c1ccc(N(C)C)cc1	163484160	FUAFBOWXKLPZRV-LBPRGKRZSA-N	284.425	1.838	10	20	CDCD	
C[C@H](NCCN1CCC(O)CC1)c1cc(F)ccc1O	295801137	AHAKXXPGRWZQEP-NSHDSACASA-N	282.359	1.639	10	20	CDCD	
C[C@@H](CC[S@@](C)=O)NCc1cc(F)cc(F)c1O	708466934	VOSGIYJJWRXMTA-DCXZOGHSSA-N	277.336	1.917	10	20	CDCD	
C[C@@H](NC[C@H](O)CN(C)C)c1cc(F)ccc1O	717363407	CJKIUXNGKVRXIM-KOLCDFICSA-N	256.321	1.104	10	20	CDCD	
CCN1C[C@@H](NC(=O)Nc2ccc(N)cc2)CC1=O	391723526	KQOQDKXGSHPYED-NSHDSACASA-N	262.313	1.011	10	20	CDCD	
CN(C[C@H](O)Cn1cccn1)c1ccc2c(c1)OCO2	178882495	QMIYHMDNPZWKGC-LBPRGKRZSA-N	275.308	1.109	10	20	CDCD	
COc1ccc(N(C)CC(=O)N(C)C2CC2)cc1F	121797306	OMHAXNQBTBKXLU-UHFFFAOYSA-N	266.316	1.891	10	20	CDCD	
CCNC(=O)[C@@H](C)NCc1cccc(Cl)c1O	127868776	PAZHWBJHRDYYNZ-MRVPVSSYSA-N	256.733	1.660	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)Cc2cc(C)[nH]n2)c1	131352261	FRHKWIYFYWHTMF-JTQLQIEISA-N	289.335	1.852	10	20	CDCD	
CC[C@@H]1C(=O)NCCN1Cc1ccc(N(C)C)c(F)c1	131219795	QDAMCNHJFLLSNL-CYBMUJFWSA-N	279.359	1.602	10	20	CDCD	
CCCOc1ccc(CN[C@H]2C(=O)NCC[C@H]2C)c(O)c1	193679852	XIFZEAFHFHLCCD-IAQYHMDHSA-N	292.379	1.795	10	20	CDCD	
Cc1cc(O)ccc1NS(=O)(=O)CCOC(C)C	93666459	QWRDKHCDZVVKLY-UHFFFAOYSA-N	273.354	1.867	10	20	CDCD	
COC[C@@H](C)N1CCOc2cc(N(C)C)ccc21	181134270	MRFBFSIJWKZDSB-LLVKDONJSA-N	250.342	1.986	10	20	CDCD	
CC(C)(CNCc1c(O)cccc1Cl)S(C)(=O)=O	93962724	UPZDYKUIHIFVNT-UHFFFAOYSA-N	291.800	1.958	10	20	CDCD	
Cc1cc(O)c(CN2C[C@H](C)O[C@@H](CO)C2)cc1C	249503710	XXPQXNFVORGERC-GXTWGEPZSA-N	265.353	1.591	10	20	CDCD	
Nc1ccc(CCNC(=O)CN2CCc3ccccc32)cc1	269151795	SPYAARWAINJSNV-UHFFFAOYSA-N	295.386	1.990	10	20	CDCD	
COc1ccc(O)c(CN2CC[C@@H]3CCN(C)C[C@H]32)c1	272587351	HHVLZHRCWVDHLO-SWLSCSKDSA-N	276.380	1.927	10	20	CDCD	
CCOC(CCNC(=O)c1ccc(C)c(O)c1O)OCC	276215278	LPIXZBXKMDSGEY-UHFFFAOYSA-N	297.351	1.925	10	20	CDCD	
CO[C@@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)C(C)C	272615070	HUYLTIDRNDAMIJ-DYLGSBMWSA-N	279.336	1.898	10	20	CDCD	
CN(C)c1ccc(CN[C@]2(CCO)CCOC2)cc1F	278518616	RJUAZKUGSMAIPR-OAHLLOKOSA-N	282.359	1.523	10	20	CDCD	
COC(=O)[C@H]1CCCN1C(=O)/C=C/c1ccc(O)c(O)c1	272388423	GMQASLOKNMUCMZ-OKPNEXGHSA-N	291.303	1.275	10	20	CDCD	
COC(=O)C[C@H]1COCCN1Cc1cccc(Cl)c1O	377834985	PUGIEAKBHIQMHU-NSHDSACASA-N	299.754	1.810	10	20	CDCD	
COc1cccc(CN2CCN(C[C@H](C)O)C[C@H]2C)c1O	284289251	IAAFJMHTLGAMLJ-OLZOCXBDSA-N	294.395	1.288	10	20	CDCD	
CN(CCC(N)=O)Cc1cc(Cl)cc(F)c1O	809713716	KAZZTBYAYXDTBL-UHFFFAOYSA-N	260.696	1.492	10	20	CDCD	
C[C@@H](CN1CCN(C)CC1)N[C@@H]1CCc2cccc(O)c21	297806978	QQBMDQKQEBRXLS-DZGCQCFKSA-N	289.423	1.605	10	20	CDCD	
COc1cc(CN2CC[C@@H](CC(N)=O)C2)c(O)cc1C	808227904	PCJYJVWIYMMIOX-NSHDSACASA-N	278.352	1.407	10	20	CDCD	
CCOC(=O)CC[C@H](O)CNCc1ccc(N(C)C)cc1	818941695	OFUUNIZEMHPDDN-HNNXBMFYSA-N	294.395	1.546	10	20	CDCD	
Cc1ccc([C@@H](C)NCCN2CCNCC2)c(O)c1	817945308	ZFYVBRHQPUGGQF-CYBMUJFWSA-N	263.385	1.256	10	20	CDCD	
COc1ccc(N2CC[C@H](CNC(=O)CN(C)C)C2)cc1	819583084	STHVSYDXZDANCO-CYBMUJFWSA-N	291.395	1.199	10	20	CDCD	
C[C@H](NCc1ccc(N2CCOCC2)c(F)c1)C1CNC1	817889056	RHWMNSIXXIXZFT-LBPRGKRZSA-N	293.386	1.360	10	20	CDCD	
O=C(N[C@@H]1CCc2c[nH]nc2C1)c1c(F)ccc(O)c1O	826890572	SVHNMGIZMQOIIC-MRVPVSSYSA-N	291.282	1.247	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CC=CCN2)c1O	903487509	DSROYKBFRJWJHF-UHFFFAOYSA-N	250.273	1.610	10	20	CDCD	
C[C@H](C(=O)N(CC(=O)O)Cc1ccccc1O)C1CC1	911493302	LRWLLBCJQNFOSU-JTQLQIEISA-N	277.320	1.852	10	20	CDCD	
Nc1ccc(CCNC(=O)NC[C@@H]2CCCC[C@H]2O)cc1	841953637	BDBPJOOFHCDXDN-DZGCQCFKSA-N	291.395	1.662	10	20	CDCD	
OC[C@H](NCc1cc(Cl)ccc1O)[C@H]1CCCOC1	840964330	ZZTUCCAUKLPKCC-GWCFXTLKSA-N	285.771	1.923	10	20	CDCD	
COc1cccc([C@H](C)N[C@H](CO)CCF)c1O	846209684	SCWTYNNNEKLWMK-UWVGGRQHSA-N	257.305	1.772	10	20	CDCD	
COc1ccc(O)c(CN[C@@H]2CCNCC2(C)C)c1	841072412	JPSIKWFGKXXBBU-CQSZACIVSA-N	264.369	1.879	10	20	CDCD	
COc1ccc(CNC(=O)C(C)(C)C(=O)O)c(O)c1	843331728	BOIYERKMMVDPOW-UHFFFAOYSA-N	267.281	1.128	10	20	CDCD	
CCC(=O)N[C@H](C)C(=O)N(C)Cc1ccccc1O	920455136	NQBIJEWQRKCCSS-SNVBAGLBSA-N	264.325	1.265	10	20	CDCD	
CC(=O)N1CC[C@@H](N[C@@H](C)c2cc(F)cc(F)c2O)C1	857084345	NPCJDVDMVFPWJR-GZMMTYOYSA-N	284.306	1.942	10	20	CDCD	
C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C1(CO)CC1	855480301	GEHNAJIWAKQRSY-GFAPAMAISA-N	277.320	1.388	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@@H]2CCCN2C(C)C)c1	934943903	VXBLNXIOUQWYQX-AWEZNQCLSA-N	292.379	1.890	10	20	CDCD	
CN(C)C1(CS(=O)(=O)N(C)Cc2ccccc2O)CC1	866833960	FWCGBJBEQGSVGI-UHFFFAOYSA-N	298.408	1.248	10	20	CDCD	
O=C(N[C@@H]1CCOC2(CCOCC2)C1)c1cc(O)cs1	769366618	WPFCJWFYCHJYPI-SNVBAGLBSA-N	297.376	1.912	10	20	CDCD	
Cc1cccc(O)c1CNCC1(CO)CCOCC1	877115388	DNFKYMFAFDMCSK-UHFFFAOYSA-N	265.353	1.579	10	20	CDCD	
CCOc1ccc(O)c(CN(CC)CC(=O)NC)c1	768309082	XPVTVXLKLWQVJY-UHFFFAOYSA-N	266.341	1.359	10	20	CDCD	
Cc1cc(O)c(CN2CCN(C)C[C@H]2CO)cc1C	877645062	ZOCIKGNBHVCDOV-AWEZNQCLSA-N	264.369	1.117	10	20	CDCD	
CCN[C@@H](C)C(=O)NCc1ccc2c(c1)CCCN2C	876742526	YBWURIHRDKLJBB-LBPRGKRZSA-N	275.396	1.683	10	20	CDCD	
CCC(=O)N[C@@H](C)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	773760892	MOIOHQVOQUSYCL-UWVGGRQHSA-N	294.351	1.060	10	20	CDCD	
CN1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)C(C)(C)C1	779542070	JDRXFVZUCRQNGT-ALCCZGGFSA-N	290.363	1.664	10	20	CDCD	
CC(C)[C@@](C)(O)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	773741220	HXCJTOLPWMXYDJ-ZUZCIYMTSA-N	281.352	1.552	10	20	CDCD	
CN1CC(=O)N(c2cc(Cl)c(N)c(Cl)c2)C1=O	772128693	YGVQJKSXKZCGGE-UHFFFAOYSA-N	274.107	1.974	10	20	CDCD	
Cn1cncc1CCNC(=O)c1cc(O)cs1	776191764	VCMBZMMQYRHHEO-UHFFFAOYSA-N	251.311	1.160	10	20	CDCD	
COC[C@]1(C(=O)O)CCN(Cc2cccc(F)c2O)C1	874043502	TYBNXVDYVKZQFG-AWEZNQCLSA-N	283.299	1.454	10	20	CDCD	
Oc1cc2c(cc1CN[C@H]1CCn3ccnc3C1)OCO2	778187656	CANPOMBDSYGDQT-NSHDSACASA-N	287.319	1.422	10	20	CDCD	
CCOCCNC(=O)N[C@H](C)c1ccccc1O	868087609	HEQSHQULPDLOOK-SNVBAGLBSA-N	252.314	1.789	10	20	CDCD	
COc1ccc(CNC(CF)CF)c(O)c1OC	894669198	ZHTSTEIEPSJTQR-UHFFFAOYSA-N	261.268	1.807	10	20	CDCD	
C[C@@H](O)C(=O)NCc1ccc(N2CCCCC2)cc1	786840494	DKMXXTYJYRFXQB-GFCCVEGCSA-N	262.353	1.674	10	20	CDCD	
COC[C@]1(CO)CCN(Cc2cc(C)cc(OC)c2O)C1	894929507	PFLFWZHHUOWCQS-MRXNPFEDSA-N	295.379	1.540	10	20	CDCD	
CNC(=O)[C@@H]1CCC[C@@H]1NCc1cc(C)cc(OC)c1O	894361156	DVSOGGSIKIQWLD-OLZOCXBDSA-N	292.379	1.714	10	20	CDCD	
COc1ccc(CN2C[C@@H](O)[C@H](C)C2)c(O)c1OC	897676707	WKHDICZDABVODS-MWLCHTKSSA-N	267.325	1.222	10	20	CDCD	
COc1ccc(CNC(=O)c2ccncc2F)c(O)c1	794382775	HYMYJDQSSCZQFZ-UHFFFAOYSA-N	276.267	1.865	10	20	CDCD	
O=C(c1cc(O)cs1)N1CC[C@H](N2CCCC2=O)C1	792513079	MRKMSJNAOGZVAV-VIFPVBQESA-N	280.349	1.291	10	20	CDCD	
C[C@@H](NC[C@H]1CCS(=O)(=O)C1)c1ccccc1O	38082638	FHBGCKWSUQTKMO-GHMZBOCLSA-N	269.366	1.478	10	20	CDCD	
COc1ncccc1NC(=O)c1cccc(O)c1O	40816834	INFQWJQZMHYUMR-UHFFFAOYSA-N	260.249	1.754	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)N1CCCC1	734513269	HCYRXUQXKXAUHM-UHFFFAOYSA-N	250.298	1.446	10	20	CDCD	
C[C@@H](N[C@H]1CC(=O)N(C)C1)c1cc(F)ccc1O	273580545	MOGRIWUIKKVVJM-SCZZXKLOSA-N	252.289	1.413	10	20	CDCD	
COc1ccc(CNC(=O)CNC(C)(C)C)c(O)c1	1326864751	WFCOHZIQHQZPOI-UHFFFAOYSA-N	266.341	1.405	10	20	CDCD	
O=S1(=O)CCCC[C@@H]1CNCc1cc(F)ccc1O	694546858	ZFQZJIRSWIIWLX-GFCCVEGCSA-N	287.356	1.588	10	20	CDCD	
Cc1cnc(CC(=O)NCc2ccc(O)c(O)c2)s1	1337397138	XBKKWTPGWVBGKE-UHFFFAOYSA-N	278.333	1.722	10	20	CDCD	
Nc1ccc(CN2CCC([C@@H]3C[C@@H](N)CCO3)CC2)cc1	1334775309	VNFDWAXMAYQJFQ-IRXDYDNUSA-N	289.423	1.987	10	20	CDCD	
COC[C@H](C)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	1335133220	FLWUIGOVFKFZSF-XJKSGUPXSA-N	279.428	1.980	10	20	CDCD	
CS(=O)(=O)[C@H]1CCCCN(Cc2ccc(N)cc2)C1	1336284900	DNIGDNGOUWCRPR-AWEZNQCLSA-N	282.409	1.668	10	20	CDCD	
O=C(/C=C\c1nccs1)NCCc1ccc(O)c(O)c1	1351548535	BHTBUTONSDZKCQ-ARJAWSKDSA-N	290.344	1.926	10	20	CDCD	
COC1(OC)CC(CNC(=O)NCc2ccccc2O)C1	1523622605	BUUOZAKWKQPMER-UHFFFAOYSA-N	294.351	1.591	10	20	CDCD	
COCc1cc(Sc2ncc(C(=O)O)s2)ncn1	1606952822	XATBODIPSHOTNP-UHFFFAOYSA-N	283.334	1.929	10	20	CDCD	
Cc1ccccc1[C@H](N)C(=O)NCc1cc(O)ccc1O	1579794198	UOCWRLJIHOUJLE-HNNXBMFYSA-N	286.331	1.722	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@H]2CC[C@H]2C(=O)O)cc1F	1573997477	UYTWMQHJECEDPT-WDEREUQCSA-N	294.326	1.619	10	20	CDCD	
C[C@H](NC[C@H]1CCCN1)c1cc(C(=O)O)ccc1O	1593254993	ALTKFJCMIPLWRE-GXSJLCMTSA-N	264.325	1.493	10	20	CDCD	
CN(C)C(=O)OCCN1CCOc2cc(N(C)C)ccc21	160153152	IPZQYHKDNLUEJT-UHFFFAOYSA-N	293.367	1.650	10	20	CDCD	
O=C(NCc1c(O)ccc2c1CCCC2)c1cc[nH]c(=O)c1	154928905	VDHRGHSTGNGTQX-UHFFFAOYSA-N	298.342	1.889	10	20	CDCD	
COc1cccc(O)c1CN1C[C@H](C)N[C@H](C)C1	843049159	GZHYWHFLGXZGQM-PHIMTYICSA-N	250.342	1.583	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C1(N)CCC1	147849328	KWSQFDJCKCRQJJ-UHFFFAOYSA-N	261.369	1.592	10	20	CDCD	
COc1ccc(CNCCOCCN(C)C)cc1C	231676375	MDIXCTNVEJUXJC-UHFFFAOYSA-N	266.385	1.671	10	20	CDCD	
CN1CC[C@H](N(C)Cc2cccc(Cl)c2O)C1=O	271759097	DIRCTZYHJVUSMD-NSHDSACASA-N	268.744	1.708	10	20	CDCD	
C[C@@H](NC[C@@]1(O)CCSC1)c1ccccc1O	183543329	ALIGPDPJCLREIP-MFKMUULPSA-N	253.367	1.911	10	20	CDCD	
CCOc1cccc(CN2CCC[C@H]3CNC[C@H]32)c1O	299913812	DWZFUJYCHUEIES-GXTWGEPZSA-N	276.380	1.975	10	20	CDCD	
CCOC[C@@H](O)CN[C@@H](C)c1ccc(N(C)C)cc1	312032294	YDKKRKYJEHZNGF-WFASDCNBSA-N	266.385	1.801	10	20	CDCD	
CC(C)[C@H](CO)CNC(=O)Cc1ccc(N)cc1	394029928	LAEDPFFUBYFPMR-LBPRGKRZSA-N	250.342	1.192	10	20	CDCD	
C[C@@H](NCCO)c1cc(Br)cc(F)c1O	134910871	FSPOTOMGJQAZGY-ZCFIWIBFSA-N	278.121	1.937	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)Cc1ccon1	74191415	IYSFGSQXQFSSTG-UHFFFAOYSA-N	287.319	1.709	10	20	CDCD	
COc1ccc(O)c(CN2CC[C@@H](C)S(=O)(=O)CC2)c1	192047611	WYXPESYDHKALNL-LLVKDONJSA-N	299.392	1.410	10	20	CDCD	
COc1cc(Cl)cc(CNCCS(C)(=O)=O)c1O	228672467	QMIVUSFDLYMFGJ-UHFFFAOYSA-N	293.772	1.188	10	20	CDCD	
C[C@@H](NC[C@H](O)c1cnn(C)c1)c1ccc(N(C)C)cc1	268875393	ISQXFGSMGPHLMU-WBMJQRKESA-N	288.395	1.870	10	20	CDCD	
CN(CCCOC(=O)NC(N)=O)Cc1ccccc1O	271422156	YOBBOHPKLKWBCG-UHFFFAOYSA-N	281.312	1.019	10	20	CDCD	
COC(=O)CCN(C(=O)c1cccc(O)c1O)C(C)C	275074952	CBMJSSGGAJVFRS-UHFFFAOYSA-N	281.308	1.512	10	20	CDCD	
COC(=O)C1(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)CC1	274889278	CLUMNIBTZAAXQL-SECBINFHSA-N	293.319	1.098	10	20	CDCD	
CCOc1cccc(CN2CC[S@](=O)C[C@H](C)C2)c1O	277432198	JOKVFPLOPNZTON-ODXCJYRJSA-N	297.420	1.991	10	20	CDCD	
Cc1cccc(CN2CC(n3cc([C@@H](C)O)nn3)C2)c1O	374824280	VVYQCZNTPHIOFG-LLVKDONJSA-N	288.351	1.402	10	20	CDCD	
CN(C)c1ccc(CN2CC[C@@H](CC(N)=O)C2)cc1F	377847931	RNSFWLQNYALKCM-LBPRGKRZSA-N	279.359	1.589	10	20	CDCD	
CSCCONC(=O)N(C)Cc1ccccc1O	280463003	HLZNWSIXXPYWBB-UHFFFAOYSA-N	270.354	1.828	10	20	CDCD	
COc1cncc(COC(=O)c2cccc(O)c2O)c1	808538396	PQVHNMJFJIUJQN-UHFFFAOYSA-N	275.260	1.858	10	20	CDCD	
CC[C@H]1CN(Cc2ccccc2O)C[C@@H](C)S1(=O)=O	809725544	VVOLDQIYHUUSDN-YPMHNXCESA-N	283.393	1.790	10	20	CDCD	
CCN(CC)C(=O)CNC(=O)NCc1ccccc1O	726244364	SJNOBZSWDJACHZ-UHFFFAOYSA-N	279.340	1.060	10	20	CDCD	
CN1CCCC[C@@H](C(=O)N(C)Cc2ccccc2O)C1=O	820878532	KBVCXGJAGDRFCX-CYBMUJFWSA-N	290.363	1.609	10	20	CDCD	
CC(C)[C@@H]1C(=O)NCCN1C(=O)c1cc(O)cs1	732285875	OCRBUUYODPQVPH-SNVBAGLBSA-N	268.338	1.050	10	20	CDCD	
COC(=O)CCCNC(=S)N(C)Cc1ccccc1O	917581654	NINWBYIPZZIDCU-UHFFFAOYSA-N	296.392	1.652	10	20	CDCD	
Nc1ccc(CCNC(=O)[C@@H]2CCc3n[nH]cc3C2)cc1	911781817	BCFWLMUOXIBFCS-GFCCVEGCSA-N	284.363	1.456	10	20	CDCD	
C[C@@H]1C[C@@H](NC(=O)c2c(F)ccc(O)c2O)CO1	844153953	PQEBGMQEWDVPAU-RNFRBKRXSA-N	255.245	1.144	10	20	CDCD	
Cc1ccc(O)c(CN[C@@H](CO)[C@H]2CCCOC2)c1	840964183	YPMCEIOSKCZTRX-JSGCOSHPSA-N	265.353	1.578	10	20	CDCD	
CCc1cccc(CN2CCN(C)C(=O)[C@H]2C)c1O	848904268	OSSOWJRPWXHMRI-LLVKDONJSA-N	262.353	1.617	10	20	CDCD	
CCS(=O)(=O)C1CN(Cc2c(O)cccc2Cl)C1	841886754	XMZAISSGNWGCBC-UHFFFAOYSA-N	289.784	1.665	10	20	CDCD	
C[C@H](CC(N)=O)C(=O)NCc1cc(Cl)ccc1O	846475717	GQLMTQAXHBEYEO-SSDOTTSWSA-N	270.716	1.173	10	20	CDCD	
C[C@@H](CC(N)=O)NCc1ccc(N2CCSCC2)cc1	749125908	JHBZLXGLAPJJKU-LBPRGKRZSA-N	293.436	1.593	10	20	CDCD	
CC[C@H](NC(=O)c1ccc(C)c(O)c1O)[C@@H](O)C(C)C	840525297	MTWVDUMODHIPQG-RYUDHWBXSA-N	281.352	1.932	10	20	CDCD	
O=C(NCCCSc1nccs1)O[C@H]1CNOC1	921446797	PRRHEDXVBHFIIL-QMMMGPOBSA-N	289.382	1.255	10	20	CDCD	
CN(C)c1cc(F)c(CNC/C=C\CO)cc1F	858188607	VUCMKHHFLBGFGM-ARJAWSKDSA-N	256.296	1.669	10	20	CDCD	
CCCn1c(C)nnc1COC(=O)c1cccc(O)c1O	758573111	PBVVAGXPFHAOHZ-UHFFFAOYSA-N	291.307	1.765	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)N[C@H](C)Cn2ccnc2)c1	858154795	RLQUOUOQFQZCGA-GFCCVEGCSA-N	288.351	1.785	10	20	CDCD	
CC[C@@H](CO)N1CCN(c2ccc(OC)cc2)CC1	929153197	SNZUYXPBLVQFGN-ZDUSSCGKSA-N	264.369	1.588	10	20	CDCD	
CNC(=O)C(C)(C)CN[C@@H](C)c1cc([N+](=O)[O-])ccc1O	756782673	SYXNDWCHWFSCES-VIFPVBQESA-N	295.339	1.723	10	20	CDCD	
CN1C[C@H](NCc2cc(F)c(N(C)C)cc2F)CC1=O	858119924	UMSWZCZVTJAJRD-SNVBAGLBSA-N	283.322	1.351	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)NCC2(CO)CC2)c1	756637724	OZGLYQDJALPAQA-SNVBAGLBSA-N	279.336	1.602	10	20	CDCD	
CCOc1ccc(CNCCN2CCC2)c(O)c1	752107029	NYBQLQWLXUWHIL-UHFFFAOYSA-N	250.342	1.586	10	20	CDCD	
CCn1cc(C(=O)NCc2ccc(N3CCCC3)cc2)nn1	930204870	DVKMMULKPVBIBV-UHFFFAOYSA-N	299.378	1.828	10	20	CDCD	
CC(C)CN(C)Cc1cc2c(cc1O)OC[C@@H]2O	768440318	QJVFBORTMHWPER-ZDUSSCGKSA-N	251.326	1.906	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@@H](C(C)C)N(C)C)c1	862757758	DESYXQKJIXEMDD-CQSZACIVSA-N	264.369	1.903	10	20	CDCD	
CN(C)CCOc1ccc(N(C)Cc2cnnn2C)cc1	761220634	HQFRLVRVOXYUOS-UHFFFAOYSA-N	289.383	1.392	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC[C@H]2C[C@@H](N)C2)c1	873250375	GVNPZOKUCIUJMF-GARJFASQSA-N	250.342	1.789	10	20	CDCD	
C[C@H]1CCCN(C(=O)C(=O)N(C)c2ccc(N)cc2)C1	877075508	DXGPPOBWHXNKQX-NSHDSACASA-N	275.352	1.490	10	20	CDCD	
COCCN(C)CCN[C@H](C)c1c(O)cccc1F	886520338	BNPQVYOOTPWAEZ-LLVKDONJSA-N	270.348	1.760	10	20	CDCD	
COc1ccc(CNCCCCCO)c(O)c1OC	894125625	VQOHGBDBEIHRIT-UHFFFAOYSA-N	269.341	1.662	10	20	CDCD	
O=C(NC1CC1)[C@H]1CCCN1Cc1cc(F)cc(F)c1O	893954905	QKZPCWLEPQQUKW-CYBMUJFWSA-N	296.317	1.913	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC1CCC1	788462870	OYBXRAZVQUNFHD-UHFFFAOYSA-N	289.379	1.380	10	20	CDCD	
CCOCCNC(=O)N(C)Cc1ccccc1O	79147398	SZISFJNLNHAJRE-UHFFFAOYSA-N	252.314	1.570	10	20	CDCD	
O=C(CC1CC1)OCC(=O)c1ccc(O)c(O)c1	782725673	CZKKQFSVCAKNHW-UHFFFAOYSA-N	250.250	1.624	10	20	CDCD	
COc1ccc(CN[C@H]2CCOC2)c(O)c1OC	893181489	LZPVMCSUSUTBLN-JTQLQIEISA-N	253.298	1.288	10	20	CDCD	
C[C@H](NCCC(=O)N(C)C)c1cc(F)ccc1O	94617641	LUFOZUDPHUURPK-VIFPVBQESA-N	254.305	1.660	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)CC(C)(C)O)c1	792238042	MQGXBUFNDVCGAC-SECBINFHSA-N	267.325	1.739	10	20	CDCD	
C[C@@H](O)CNCc1cc(Br)cc(F)c1O	715714645	WTNKMKZIUXJSRR-ZCFIWIBFSA-N	278.121	1.764	10	20	CDCD	
CC[C@H]1CN(C(=O)c2cccc(O)c2O)C[C@@H](C)O1	193063079	QRWKVVRUYLIGCD-ZJUUUORDSA-N	265.309	1.737	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1C[C@@H](N)C1	693553983	XBBJKYBIHAPMKO-OKILXGFUSA-N	275.396	1.838	10	20	CDCD	
O=S(=O)(C[C@H]1CCCCO1)Nc1ccc(O)cc1F	758169079	MIRIPKACCUDSGG-SNVBAGLBSA-N	289.328	1.842	10	20	CDCD	
CN(C[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccc(N)cc1	93697683	MTPNAXFFUPRMLD-LBPRGKRZSA-N	297.424	1.377	10	20	CDCD	
COc1cccc(O)c1CNC[C@H]1CCCCS1(=O)=O	784621381	OYYLCRAGMCTFIV-LLVKDONJSA-N	299.392	1.458	10	20	CDCD	
COc1ccc(CNC[C@H](OC)C(=O)O)cc1C	1332476120	KUWKXFGBDSNRKF-LBPRGKRZSA-N	253.298	1.193	10	20	CDCD	
COc1cc(C)cc(CN(C)C[C@@H](C)C(=O)O)c1O	1594054614	ZCKNHCGQGDXALB-SNVBAGLBSA-N	267.325	1.862	10	20	CDCD	
CN(C[C@H]1CCC[C@H]1O)C(=O)NCc1ccc(N)cc1	1353539914	QKDGWBCVCMOYQY-TZMCWYRMSA-N	277.368	1.571	10	20	CDCD	
Cc1cc(Cl)cc(CN2C[C@H](O)C[C@@H](C(=O)O)C2)c1O	1600218912	GATQFXKWIGTTMJ-ZYHUDNBSSA-N	299.754	1.621	10	20	CDCD	
C[C@H](N[C@@H]1CCOC1)c1cccc(-c2nn[nH]n2)c1O	1589973605	HVMIMSFZJXPPBV-DTWKUNHWSA-N	275.312	1.012	10	20	CDCD	
O=C(CN1CCNCC1)NCc1c(O)ccc2ccccc12	1580549137	LQRIUDLRBJNTQY-UHFFFAOYSA-N	299.374	1.067	10	20	CDCD	
C[C@@H](CCO)N(C)c1ccc(/C=C/C(=O)O)cc1[N+](=O)[O-]	1592530552	USGHLVMDQHNUPB-RWCYGVJQSA-N	294.307	1.900	10	20	CDCD	
COCCN(CCC(=O)O)Cc1c(C)cc(OC)cc1O	1594011099	IFGIBZYOTBJNSU-UHFFFAOYSA-N	297.351	1.632	10	20	CDCD	
CCS(=O)(=O)NCCN(C)c1ccc(OC)cc1	844353688	VIZLHNOBCRPACJ-UHFFFAOYSA-N	272.370	1.071	10	20	CDCD	
Cc1ccc(CNC[C@@]2(O)CCSC2)c(O)c1	877082196	NOVRRRAROXVVSI-ZDUSSCGKSA-N	253.367	1.658	10	20	CDCD	
CN(C)C(=O)[C@@H]1CCN(Cc2cc(F)cc(F)c2O)C1	894992589	KLEZJNRAWAUTEN-SECBINFHSA-N	284.306	1.581	10	20	CDCD	
Cc1ccc(CN[C@H](CO)C[C@@H]2CCCO2)c(O)c1	895749388	QSKIHHPCBGPFBR-KBPBESRZSA-N	265.353	1.720	10	20	CDCD	
Cc1ccc(O)c(CN2CCC[C@H](S(C)(=O)=O)C2)c1	274170728	WNWHFTRMTJLPSF-ZDUSSCGKSA-N	283.393	1.710	10	20	CDCD	
CNC(=O)[C@H](C)NCc1ccc(N2CCCCC2)cc1	48416730	DOLCNIJHFKGPIE-ZDUSSCGKSA-N	275.396	1.901	10	20	CDCD	
CO[C@@H](CNC(=O)c1cccc(O)c1O)C1CC1	294444593	HGUSXLUJNOLJDO-NSHDSACASA-N	251.282	1.253	10	20	CDCD	
C[C@@H]1[C@H](NCc2cccc(Cl)c2O)CCS1(=O)=O	311169874	PTYRKNUKHZZPBI-LDYMZIIASA-N	289.784	1.711	10	20	CDCD	
CN1C[C@@H](NCc2ccc(N3CCCC3)cc2)CC1=O	380701210	NUFNPHHBXCSIJS-AWEZNQCLSA-N	273.380	1.607	10	20	CDCD	
CCOc1ccc(O)c(CNC[C@](C)(O)CCOC)c1	172072805	QCDWIYPHOGMGMS-OAHLLOKOSA-N	283.368	1.668	10	20	CDCD	
COc1cccc(CNCC(C)(C)N2CCOCC2)c1O	20120645	FVJOIKZCIJSFBO-UHFFFAOYSA-N	294.395	1.601	10	20	CDCD	
C[C@H](N[C@@H]1CCOC1=O)c1ccc(N2CCOCC2)cc1	112536864	ZXFFRJNLIKYUMB-SWLSCSKDSA-N	290.363	1.489	10	20	CDCD	
COc1cccc(CNc2ncnc3nn(C)cc23)c1O	119296199	WWSDTBAAPAWGOZ-UHFFFAOYSA-N	285.307	1.690	10	20	CDCD	
CC[C@](C)(O)CNCc1ccc(N2CCOCC2)c(F)c1	111384929	ZAOKHSJWRWUMJK-INIZCTEOSA-N	296.386	1.913	10	20	CDCD	
CCOc1cccc(CN2CCN(C[C@H](C)O)CC2)c1O	189849049	JEABBMRXSIPRKE-ZDUSSCGKSA-N	294.395	1.289	10	20	CDCD	
COc1cccc(CN2CCC3(CC2)OCCO3)c1O	126120072	MIGFJYYMXIPKJW-UHFFFAOYSA-N	279.336	1.740	10	20	CDCD	
C[C@H](NC(=O)C(C)(C)C)C(=O)N(C)Cc1ccccc1O	77258351	WNXZGBKIUPEKKU-NSHDSACASA-N	292.379	1.901	10	20	CDCD	
CCC(CC)(NC(=O)c1cccc(O)c1O)C(=O)O	126063803	XFGLYKHZLXMGNV-UHFFFAOYSA-N	267.281	1.471	10	20	CDCD	
C[C@@H](C[S@@](C)=O)NC(=O)N(C)Cc1ccccc1O	182619922	PIQMWPULVVEAQT-APBUJDDRSA-N	284.381	1.301	10	20	CDCD	
Cc1ccc(O)c(CN(CC(N)=O)CC(C)C)c1	132893859	ACVHGQLQDZNECI-UHFFFAOYSA-N	250.342	1.644	10	20	CDCD	
COc1cccc(CN(CC(=O)O)CC(C)C)c1O	86778082	RLGYNZVPGVKPCP-UHFFFAOYSA-N	267.325	1.943	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cnn(C)c1	190925165	RGAQMBJLDRJFOW-VIFPVBQESA-N	290.323	1.584	10	20	CDCD	
CC(C)NC(=O)NCc1ccc(N2CCOCC2)cc1	48921281	RUNFBESBBISQLC-UHFFFAOYSA-N	277.368	1.731	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)[C@H]1CCNC1	236733150	YABHITFBHPCIMW-LBPRGKRZSA-N	262.353	1.740	10	20	CDCD	
COCCOCCN(C)Cc1cc(F)ccc1O	290185549	OBHYWOAXEOVARV-UHFFFAOYSA-N	257.305	1.626	10	20	CDCD	
C[C@H](NCC1(C)COC1)c1cc([N+](=O)[O-])ccc1O	273582547	NBGLQIDCAAEVAV-VIFPVBQESA-N	266.297	1.988	10	20	CDCD	
CCOC(=O)[C@@H](C)CNC(=O)c1cccc(O)c1O	279408186	XBDOWKYJJPYRIS-QMMMGPOBSA-N	267.281	1.027	10	20	CDCD	
CC(C)NS(=O)(=O)NCc1ccc(N(C)C)cc1	272174794	IWKISZKPIJACPT-UHFFFAOYSA-N	271.386	1.085	10	20	CDCD	
CN(C)C1(CNCc2cc([N+](=O)[O-])ccc2O)CCC1	275566564	FNUUQRUGXOADEP-UHFFFAOYSA-N	279.340	1.874	10	20	CDCD	
CC[C@H](N[C@H](CO)COC)c1ccc(C)cc1O	281230435	URNAZVVVFJGFGT-YPMHNXCESA-N	253.342	1.749	10	20	CDCD	
CN(C(=O)c1cccc(O)c1O)C1C[C@@H]2CC[C@H](C1)N2C	286267846	QKDHZCFTMHYNEN-FOSCPWQOSA-N	290.363	1.795	10	20	CDCD	
COCc1nn(Cc2ccc(N(C)C)cc2)c(=O)o1	292661811	NMZWIHHNVWVUBN-UHFFFAOYSA-N	263.297	1.097	10	20	CDCD	
CCCCNC(=O)CSc1ncc(C(=O)OC)s1	294898223	AHHFHIRYZQIPRU-UHFFFAOYSA-N	288.394	1.938	10	20	CDCD	
Cc1cc(C)c([C@H](C)NCc2ncn(C)n2)c(O)c1	294827934	QUUBWYFFSOEHFP-NSHDSACASA-N	260.341	1.988	10	20	CDCD	
Cc1cc(C)n(CCC(=O)NCc2ccc(O)cc2O)n1	827822510	YUANOZRJVVUAIA-UHFFFAOYSA-N	289.335	1.618	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)c2cc(C)[nH]n2)c1	728982424	NDVJSUNWBZIPBJ-VIFPVBQESA-N	275.308	1.923	10	20	CDCD	
CCOC(=O)CN(Cc1cnc[nH]1)Cc1ccccc1O	823575762	AZNRRGFBWGZXSQ-UHFFFAOYSA-N	289.335	1.681	10	20	CDCD	
C[C@@H](NC(=O)[C@]1(C)CCNC1=O)c1ccc(N(C)C)cc1	822082972	RFACLFBEZKJOPN-BDJLRTHQSA-N	289.379	1.456	10	20	CDCD	
CCN1CCO[C@H](C(=O)N[C@H](C)c2ccccc2O)C1	827936917	GMYBIWSBTOQVTC-RISCZKNCSA-N	278.352	1.290	10	20	CDCD	
CC[C@@H](NCc1cc(C)c(C)cc1O)C(=O)NC	825316193	LTSJZLWORQAKQV-GFCCVEGCSA-N	250.342	1.623	10	20	CDCD	
Cc1cc(C(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)no1	832286172	WTSSJFVLNRNIIJ-CYBMUJFWSA-N	288.351	1.479	10	20	CDCD	
CC[C@@H](NC(=O)c1ccc(C)c(O)c1O)[C@H](C)O	836862859	NEWLWBCKGMZKMP-WCBMZHEXSA-N	253.298	1.295	10	20	CDCD	
COCC1(O)CN(Cc2ccc3ccccc3c2O)C1	839144576	YFXAYGSDSHCRAG-UHFFFAOYSA-N	273.332	1.739	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCn2nc(C3CC3)cc2C1	834446230	HGZNGHCGMVJLRF-UHFFFAOYSA-N	299.330	1.828	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)[C@@H]1CCCCO1	910949640	MXQPPYIGCVUIAE-LBPRGKRZSA-N	251.282	1.283	10	20	CDCD	
CNCCN(C)C(=O)NCc1ccc(N2CC=CC2)cc1	841831931	HOMXDGMTCBKSTR-UHFFFAOYSA-N	288.395	1.424	10	20	CDCD	
Nc1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)cc1	846662784	XVNMSZBRNRHJEB-LLVKDONJSA-N	299.330	1.849	10	20	CDCD	
CC[C@@H]1CN(C(=O)NCCc2ccc(N)cc2)CC[C@@H]1N	841955716	LBDHSKVIEGYWGQ-HIFRSBDPSA-N	290.411	1.580	10	20	CDCD	
CCOc1ccc(CN2CC[C@](C)(CN)C2)c(O)c1	843116258	KDXQJGOLIYCFEB-OAHLLOKOSA-N	264.369	1.962	10	20	CDCD	
Cn1cc(/C=C\C(=O)N2CCOc3ncccc32)cn1	748757224	AEZNXDUBZUPORP-PLNGDYQASA-N	270.292	1.254	10	20	CDCD	
COc1ccc(N(C)CCN(C)Cc2ccn(C)n2)cc1	844402448	XPNYEVCLXNXJQT-UHFFFAOYSA-N	288.395	1.997	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H](C)CN)c1	841961357	AJDDOJYNNCFJJR-NXEZZACHSA-N	281.356	1.356	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H](C)CCCN	841825048	XIXPHJYFWLPRTA-ZDUSSCGKSA-N	292.427	1.988	10	20	CDCD	
Fc1cc(CN[C@@H]2CCNC2)ccc1N1CCOCC1	841045410	ULDUKHXRXPWBPL-CYBMUJFWSA-N	279.359	1.114	10	20	CDCD	
CC[C@H](N)CNC(=O)NCCCSc1nccs1	841856705	KFWKAUZPPDJNBD-VIFPVBQESA-N	288.442	1.662	10	20	CDCD	
CCN(C)c1ccc(CN2CCN(CCO)CC2)cc1	741753317	SSSHCUCFLZYNHH-UHFFFAOYSA-N	277.412	1.253	10	20	CDCD	
CC[C@H](C)[C@@](C)(O)CNC(=O)c1cc(O)cs1	743482153	OOWBCPRAAIDJHK-UFBFGSQYSA-N	257.355	1.981	10	20	CDCD	
O=C(OCCOCC1CC1)c1cccc(O)c1O	758573426	RZRICTMBIQVOPY-UHFFFAOYSA-N	252.266	1.681	10	20	CDCD	
O=C(NCc1ccccc1O)[C@H]1CCc2n[nH]cc2C1	757101479	SXYNIFCSDYMPEQ-JTQLQIEISA-N	271.320	1.537	10	20	CDCD	
COC(=O)[C@@H]1C[C@H]2CC[C@H]1N(C(=O)c1cc(O)cs1)C2	854910507	BEVBXZIZJIPWOL-FBIMIBRVSA-N	295.360	1.867	10	20	CDCD	
Cc1cccc(CNCCN(C)CC(F)F)c1O	862550835	PZTSLXLWZOHIAQ-UHFFFAOYSA-N	258.312	1.987	10	20	CDCD	
COCC1(O)CCN(C(=O)c2cc(O)cs2)CC1	760853085	AQUQHFSENHVEDW-UHFFFAOYSA-N	271.338	1.067	10	20	CDCD	
COCC[C@@H](C)S(=O)(=O)N[C@H](C)c1ccccc1O	867834636	SXHCDVWMMQEBCM-GHMZBOCLSA-N	287.381	1.798	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)C(C)(C)C(N)=O)c1	768080102	MUIGLYIWTGVHLK-QMMMGPOBSA-N	280.324	1.090	10	20	CDCD	
C[C@@H]1CN(Cc2cc3c(cc2O)OCO3)CC[C@@H]1C(=O)O	863739663	NSLULIVNTAFNAM-KOLCDFICSA-N	293.319	1.664	10	20	CDCD	
C[C@](CO)(NC(=O)/C=C\c1ccc(O)c(O)c1)C1CC1	779535016	UOMWEKJSBNCCIY-YFUKIHRRSA-N	277.320	1.388	10	20	CDCD	
NC(=O)C1(NC(=O)/C=C/c2ccc(O)c(O)c2)CCCC1	779519092	BPXXXNYTBMPIDB-GQCTYLIASA-N	290.319	1.025	10	20	CDCD	
CN[C@@H](CC(C)(C)C)C(=O)NCc1ccc(N)cc1	1122445433	RWFIWICJWJJCSG-ZDUSSCGKSA-N	263.385	1.909	10	20	CDCD	
CN(Cc1ccccc1O)c1nnc([C@H](O)C2CC2)n1C	1121441550	ODNJPVWIMCGZCK-CYBMUJFWSA-N	288.351	1.601	10	20	CDCD	
COc1cccc(O)c1CN1CCC(O)(C(F)F)CC1	779209549	XRROUHBHVAPVGA-UHFFFAOYSA-N	287.306	1.993	10	20	CDCD	
COC(=O)CC1(NCc2cc(OC)ccc2O)CCC1	777439308	DJHNTXTWULNCIH-UHFFFAOYSA-N	279.336	1.976	10	20	CDCD	
CCOC(=O)c1cc(NC(=O)c2cc(O)cs2)n[nH]1	781431152	SPODTCAXSVAPRY-UHFFFAOYSA-N	281.293	1.606	10	20	CDCD	
C[C@@H](Cn1cccn1)NC(=O)c1c(F)ccc(O)c1O	789956013	CMSRPYMHJXWGOO-QMMMGPOBSA-N	279.271	1.252	10	20	CDCD	
C[C@@H](NC(=O)NC[C@H]1CCCN1)c1ccccc1O	892004615	HNWGDJRRDLXOFM-GHMZBOCLSA-N	263.341	1.504	10	20	CDCD	
CC(=O)CSCC(=O)N[C@H](C)Cc1ccc(O)c(O)c1	787510839	KBWRCLXRTPOLAX-SECBINFHSA-N	297.376	1.467	10	20	CDCD	
COc1cc(C)cc(CN[C@@H](C)C[S@@](C)=O)c1O	894443901	HVFYAJQKWAMBQS-XTZNXHDOSA-N	271.382	1.566	10	20	CDCD	
COC1(C(=O)OCC(=O)c2ccc(O)c(O)c2)CCCC1	784950946	OCIPNBNRDTWHMU-UHFFFAOYSA-N	294.303	1.783	10	20	CDCD	
COc1cc(C)cc(CN2CCn3cnnc3[C@@H]2C)c1O	894549651	AHKATQOQQZIXDB-NSHDSACASA-N	288.351	1.878	10	20	CDCD	
CCCCN(CC(N)=O)Cc1cccc(OCC)c1O	132874923	FWWBIJWIUUZOSF-UHFFFAOYSA-N	280.368	1.878	10	20	CDCD	
CCc1nnsc1C(=O)NCc1ccc(OC)cc1O	794390124	XJHUKZZHOGMDGF-UHFFFAOYSA-N	293.348	1.745	10	20	CDCD	
CNC(=O)CCCN(C)Cc1ccc(N(C)C)cc1	93717283	IMUZDGYBCXUTBY-UHFFFAOYSA-N	263.385	1.711	10	20	CDCD	
COc1ccc(CNCc2cc(C(N)=O)cs2)c(O)c1	793385450	BATMBWGSGZRGMX-UHFFFAOYSA-N	292.360	1.851	10	20	CDCD	
COCCO[C@@H]1CCN(Cc2cccc(C)c2O)C1	188829401	NOQKWNATIRNZRJ-CQSZACIVSA-N	265.353	1.938	10	20	CDCD	
COc1ccc(CNS(=O)(=O)CCCF)c(O)c1	795357196	BQMPCJLTHDHGOR-UHFFFAOYSA-N	277.317	1.180	10	20	CDCD	
C[C@H](NCc1ccccc1O)C1CCS(=O)(=O)CC1	779020721	YURGMHHJBIUUCM-NSHDSACASA-N	283.393	1.695	10	20	CDCD	
C[C@@]1(CO)CCCN(C(=O)NCCc2ccc(N)cc2)C1	1325368710	AGEKVEJLBUIVJC-MRXNPFEDSA-N	291.395	1.615	10	20	CDCD	
CN[C@@H](C)CCNCc1ccc(N2CCN(C)CC2)cc1	1331419293	PSPFIKVSVFHCTE-HNNXBMFYSA-N	290.455	1.526	10	20	CDCD	
O=C(O)[C@H](NCc1ccc(N2CCOCC2)cc1)C1CC1	1331949668	YQUDKECSKBYKPF-OAHLLOKOSA-N	290.363	1.476	10	20	CDCD	
COc1ccc(CNC(=O)c2c(C)ccnc2O)c(O)c1	1339653558	WVQAOLZGOGCYLE-UHFFFAOYSA-N	288.303	1.740	10	20	CDCD	
CC(C)CC(=O)N1CCN(C(=O)c2cc(O)cs2)CC1	1330618657	QLCOOANCDMTZES-UHFFFAOYSA-N	296.392	1.784	10	20	CDCD	
O=C(O)[C@@H](F)CNCc1c(O)cccc1Br	1353956244	ZODNVMKDTQIEAJ-QMMMGPOBSA-N	292.104	1.667	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H](N)C(C)(C)C	1577939594	MAHJXYPEJQYSMX-CYBMUJFWSA-N	285.384	1.868	10	20	CDCD	
CN(C)c1ccc([C@H](N)CNC(=O)OCCCF)cc1	1578424510	JSEHQBYTMHFTHK-CYBMUJFWSA-N	283.347	1.838	10	20	CDCD	
CC(C)C[C@](C)(CN)C(=O)NCc1c(O)cccc1O	1575533627	CSTUXBXQLHLUPL-OAHLLOKOSA-N	280.368	1.725	10	20	CDCD	
CSCC[C@H](N)C(=O)NCc1ccc(N(C)C)c(F)c1	166457508	UPOAUVRIHDGFCE-LBPRGKRZSA-N	299.415	1.588	10	20	CDCD	
CN1CC[C@@](O)(CNCc2ccc3c(c2)CCCO3)C1	921997922	AGFIIZKAVCMASU-MRXNPFEDSA-N	276.380	1.168	10	20	CDCD	
Cc1ccc(O)c(CN(C)C[C@H]2COCCO2)c1	827140599	LYVZLGBKCCMOIS-ZDUSSCGKSA-N	251.326	1.548	10	20	CDCD	
Cc1ccc(CNCC(C)(C)N2CCOCC2)c(O)c1	876892700	RUTVNRVEVBJUPQ-UHFFFAOYSA-N	278.396	1.901	10	20	CDCD	
O=C(CCNCc1cccc(Cl)c1O)N1CCOCC1	135757857	CBVHCBITEJPOHO-UHFFFAOYSA-N	298.770	1.384	10	20	CDCD	
COc1ccc(N2CCN(Cc3ncc[nH]3)CC2)cc1	171911671	OHWGBLJYMAAWAQ-UHFFFAOYSA-N	272.352	1.741	10	20	CDCD	
CN(C(=O)c1cccc(O)c1O)[C@@H]1CCC[C@H]1O	288446074	NNIPZUFLZHJTPZ-NXEZZACHSA-N	251.282	1.083	10	20	CDCD	
CCN(CC)c1ccc(CN[C@@H]2COC[C@@H]2O)cc1	323686840	OWULWPYTRLGYEV-CABCVRRESA-N	264.369	1.382	10	20	CDCD	
Cn1cc(CCN2CCCc3cc(CN)ccc32)cn1	700899880	XLNAPRFIGNKNRS-UHFFFAOYSA-N	270.380	1.874	10	20	CDCD	
CN(C)c1ccc(CN[C@H](CO)CC(F)F)cc1	717751253	UKFCJFSARZMVBP-NSHDSACASA-N	258.312	1.858	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CCOC2)c1	103529160	TXEHFDQBSYKDJI-NXEZZACHSA-N	265.309	1.615	10	20	CDCD	
CC(C)NC(=O)NC(=O)[C@@H](C)N(C)Cc1ccccc1O	109771314	CAYLYHCIZPBIBG-LLVKDONJSA-N	293.367	1.447	10	20	CDCD	
COc1cccc(CNC(=O)CN2CCCCC2=O)c1O	105651691	GCFMHOWILJZVRY-UHFFFAOYSA-N	292.335	1.030	10	20	CDCD	
COc1ccnc(C(=O)NCc2cc(OC)ccc2O)c1	116452153	KRKQOSSWLZGETD-UHFFFAOYSA-N	288.303	1.734	10	20	CDCD	
CC(C)c1nccn1CC(=O)NCc1ccc(N)cc1	1342699680	NHXIAFOHVACZQT-UHFFFAOYSA-N	272.352	1.905	10	20	CDCD	
Cn1nccc1NC(=O)NCCc1ccc(O)c(O)c1	124760428	BYJFYRKXBWWOCV-UHFFFAOYSA-N	276.296	1.196	10	20	CDCD	
O=C(NCc1ccccc1O)c1cncc(Cl)n1	236563188	QLDPATRFXCZWSE-UHFFFAOYSA-N	263.684	1.766	10	20	CDCD	
CC(C)C[C@H](CO)NCc1cc([N+](=O)[O-])ccc1O	236640792	PVGWDQHBJMPGKG-LLVKDONJSA-N	268.313	1.797	10	20	CDCD	
COc1cccc(CN2CCOC3(CCOCC3)C2)c1O	91895785	LKXBMFYDUZYHQS-UHFFFAOYSA-N	293.363	1.782	10	20	CDCD	
CCS(=O)(=O)C[C@H](C)N(C)Cc1cccc(C)c1O	180255135	MGGQEMLEGXGOGV-LBPRGKRZSA-N	285.409	1.956	10	20	CDCD	
COCc1nc(CN(C)Cc2ccccc2O)no1	182603761	ZEWRDWJPXXVPBK-UHFFFAOYSA-N	263.297	1.554	10	20	CDCD	
CN(C)c1ccc([C@@H]2NC(=O)[C@H]3CSCCN32)cc1	270795177	MPVPCRHKUSDYKO-CHWSQXEVSA-N	277.393	1.298	10	20	CDCD	
CN(CCCCCO)Cc1cc2c(cc1O)OCO2	279481951	UBFUKNPGIVSAKU-UHFFFAOYSA-N	267.325	1.715	10	20	CDCD	
C[C@@H]1[C@H](N2CCCC2)CCN1C(=O)c1cccc(O)c1O	376412178	HDLJYKARIUZIBJ-DGCLKSJQSA-N	290.363	1.797	10	20	CDCD	
CN(C)c1ccc([C@H]2NC(=O)CN2C)c(C(F)(F)F)c1	281191704	RJCNVFPZXIMVPM-LBPRGKRZSA-N	287.285	1.832	10	20	CDCD	
CC(C)NC(=O)OC1CN(Cc2cc(F)ccc2O)C1	297485145	UOKUJPPBLHBCKE-UHFFFAOYSA-N	282.315	1.850	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@](C)(O)C2CC2)c1	804460212	IMEYJAUNCCBLGQ-VFZGTOFNSA-N	279.336	1.739	10	20	CDCD	
O=C(Nc1nncn1C1CC1)c1cc(O)cs1	807516023	BVMIHIFZZIIRBX-UHFFFAOYSA-N	250.283	1.632	10	20	CDCD	
COc1ccc(N2CC[C@@H](CN[C@@H](C)C3CNC3)C2)cc1	818614800	GPKBJPDSWRIENP-KBPBESRZSA-N	289.423	1.719	10	20	CDCD	
O=C1NC(=S)S/C1=C/c1ccccc1-c1nn[nH]n1	826481663	DYUJKZRPNKGSEA-VMPITWQZSA-N	289.345	1.356	10	20	CDCD	
COc1ncc(/C=C\C(=O)N2CCCc3n[nH]cc32)cn1	492988795	NPHGCUSUGVDIGW-PLNGDYQASA-N	285.307	1.201	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)[C@@H]2C[C@@H]2C(N)=O)cc1	900261432	QKHFZOIEJQJJQO-UONOGXRCSA-N	289.379	1.270	10	20	CDCD	
COC(=O)[C@@H]1C[C@H](OC)CCN1C(=O)c1cc(O)cs1	831794812	SPFWBSMAVUDSJV-ZJUUUORDSA-N	299.348	1.246	10	20	CDCD	
COCc1cn(Cc2cc(F)cc(C(C)=O)c2O)nn1	900495421	JBDHDIYAIFQNJW-UHFFFAOYSA-N	279.271	1.520	10	20	CDCD	
COCCCCC(=O)NCc1ccc(O)cc1O	910954214	JZMOZVJJWITMGI-UHFFFAOYSA-N	253.298	1.531	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)[C@H]1CCSC1	910951562	UBLNYOOJLTWSBY-VIFPVBQESA-N	253.323	1.467	10	20	CDCD	
C[C@H](N)C[C@@H](C)NCc1ccc(N2CCN(C)CC2)cc1	843129992	WIBRDMHGHYFHOL-LSDHHAIUSA-N	290.455	1.654	10	20	CDCD	
CC[C@H](C)NC(=S)NCCc1ccc(O)c(O)c1	749752824	UXLARQMSEPUUQP-VIFPVBQESA-N	268.382	1.903	10	20	CDCD	
O=C(NCc1ccccc1O)c1ccc(-n2cccn2)nc1	748345240	AMHDMBDIWDMSPW-UHFFFAOYSA-N	294.314	1.903	10	20	CDCD	
CN(C)c1ccc(CN(C)c2nccn3nnnc23)cc1	749143746	MIJKFZYCRZVWCS-UHFFFAOYSA-N	283.339	1.222	10	20	CDCD	
CCc1cccc(CN2CCC[C@@H](C(=O)NC)C2)c1O	848884025	GVTDXGJOTLPSMP-CQSZACIVSA-N	276.380	1.913	10	20	CDCD	
CO[C@]1(CNC(=O)NCc2cc(C)ccc2O)CCOC1	858363338	SWTQAOFWIXFZBH-HNNXBMFYSA-N	294.351	1.305	10	20	CDCD	
c1cc2c(cc1CN[C@H]1CCc3nnnn3CC1)CCCO2	922193142	BBQQQLKAOMVAPE-AWEZNQCLSA-N	299.378	1.493	10	20	CDCD	
C[C@H](N[C@@H](C)[C@H]1CN(C)CCO1)c1cc(F)ccc1O	756758612	INGXQHLLDKCYRM-ZIBATOQPSA-N	282.359	1.901	10	20	CDCD	
Cc1cc(C(=O)NC[C@H]2C[C@@H](O)C2)c(C)n1-c1ccccn1	863179084	OZKXXYFSLAWATQ-OKILXGFUSA-N	299.374	1.990	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)Cn2ccc(C)n2)c1	862755006	NBNUCSAROYWTLG-UHFFFAOYSA-N	259.309	1.522	10	20	CDCD	
C[C@@H](NS(=O)(=O)CC1(N(C)C)CC1)c1ccccc1O	867833979	BMVVEXPPQYOGFF-LLVKDONJSA-N	298.408	1.467	10	20	CDCD	
CC[C@@H](NCc1ccc(N2CCC(O)CC2)cc1)[C@@H](C)O	877568226	HXOJFPPIRMORDN-CXAGYDPISA-N	292.423	1.897	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)C(OC)OC)cc1	874085295	OAXJILYKCZNXSF-UHFFFAOYSA-N	280.368	1.768	10	20	CDCD	
CCN1CCN(CCCNCc2ccc(C)cc2O)CC1	877145848	PSIVOYDVHKGHNN-UHFFFAOYSA-N	291.439	1.818	10	20	CDCD	
C[C@H](CO)NCc1ccc(N2CCC(O)CC2)cc1	876964488	GYHGHMYOTQNBRY-GFCCVEGCSA-N	264.369	1.118	10	20	CDCD	
COC[C@@H](NCc1ccc(C)cc1O)[C@@H]1CCCO1	877490047	SRNNHEBEILTVOI-HIFRSBDPSA-N	265.353	1.984	10	20	CDCD	
Cc1cc(C(=O)NOCCO)c(C)n1-c1ccccn1	776582315	RZFWSLCJFLUADB-UHFFFAOYSA-N	275.308	1.143	10	20	CDCD	
C[C@@H]1CN(C(=O)CN[C@H](C)c2ccccc2O)C[C@@H](C)O1	879647576	FCRLGEQUFJBEJR-JHJVBQTASA-N	292.379	1.679	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccn(C)n1	773755942	HZHYGECMEARYEX-VIFPVBQESA-N	275.308	1.192	10	20	CDCD	
COC[C@H](C)NCc1ccc([N+](=O)[O-])c(OC)c1O	774943555	VHPZBFHCZDIAER-QMMMGPOBSA-N	270.285	1.434	10	20	CDCD	
CC1CCN(CC(=O)NCc2cccc(O)c2O)CC1	1123890168	VCUJHNQWZDTCGU-UHFFFAOYSA-N	278.352	1.446	10	20	CDCD	
CCOC(=O)CCN(C)C(=O)c1ccc(C)c(O)c1O	780941465	VLWFJAKJSCLZOY-UHFFFAOYSA-N	281.308	1.431	10	20	CDCD	
COc1cc(C)cc(CN[C@H](C)CO[C@@H]2CCOC2)c1O	894338720	JNYJPQNWBGICMZ-TZMCWYRMSA-N	295.379	1.993	10	20	CDCD	
O=[N+]([O-])c1ccc(O)c(CN[C@H](CO)CC2CCC2)c1	793320398	CPBDBOCGFRUVLT-LBPRGKRZSA-N	280.324	1.941	10	20	CDCD	
COc1cncc(C(=O)NCc2ccccc2O)n1	790794935	VSTBEBDADLVJFR-UHFFFAOYSA-N	259.265	1.121	10	20	CDCD	
CC[C@@H](NC(=O)c1cccc(O)c1O)[C@@H](O)C(F)(F)F	790912234	QJAZIEXGQMQQDH-GMSGAONNSA-N	293.241	1.529	10	20	CDCD	
CO[C@@H]1CN[C@@](C)(C(=O)N[C@H](C)c2ccccc2O)C1	877256308	RWRAECOVKOGFTJ-JRPNMDOOSA-N	278.352	1.336	10	20	CDCD	
COc1cccc(O)c1CN1CC[C@](C)(C(N)=O)C1	793384915	PUWMLVAZQWWYAC-AWEZNQCLSA-N	264.325	1.098	10	20	CDCD	
CCOc1ccc(N2CCN(C(=O)C(C)(C)O)CC2)cc1	1326334667	DDVRYWHWQHXIMJ-UHFFFAOYSA-N	292.379	1.505	10	20	CDCD	
C[C@@H](CCN(C)C)NC(=O)NCc1ccc(N)cc1	1335687191	NUJGANDGDSGIST-NSHDSACASA-N	264.373	1.408	10	20	CDCD	
C[C@H](C(=O)NCc1ccc(N(C)C)cc1)[C@@H]1CCC(=O)N1	1334909965	WNUZEXYMMFSSCP-FZMZJTMJSA-N	289.379	1.284	10	20	CDCD	
COC(=O)[C@H]1CCC[C@H](C(=O)NCc2ccc(N)cc2)C1	1346209426	JESIVLJDPYCVES-STQMWFEESA-N	290.363	1.864	10	20	CDCD	
O=C(NCc1cccc(O)c1O)[C@H]1CCCCS1	1528770963	IQXJWAMDMFWDHF-LLVKDONJSA-N	267.350	2.000	10	20	CDCD	
C[C@H](CC(=O)NCc1cccc(O)c1O)c1cnn(C)c1	1528770673	CNXCSYCMNBGAKT-SNVBAGLBSA-N	289.335	1.641	10	20	CDCD	
COc1cc(CN2CCO[C@H](CC(=O)O)C2)c(O)cc1C	1607158097	SFVIGLGZPQGPEY-GFCCVEGCSA-N	295.335	1.385	10	20	CDCD	
CCN(CC)c1ccc(CN2C[C@H](O)C[C@@H]2C(=O)O)cc1	1605434885	HRFCWXXMEUOHFZ-HUUCEWRRSA-N	292.379	1.553	10	20	CDCD	
C[C@H](NC[C@@H]1C[C@]2(CCNC2)CO1)c1ccccc1O	1579485821	RPRQEQMYFBZSBV-XEZPLFJOSA-N	276.380	1.811	10	20	CDCD	
C[C@@H](CC(=O)O)NCc1ccc(N2CC[C@@H](O)C2)cc1	1776402044	QKAAMQKBHHCTRT-SMDDNHRTSA-N	278.352	1.210	10	20	CDCD	
Nc1ccc(CCNC(=O)c2cn(C3CC3)nn2)cc1	876527426	DTEALFWZPBBOKQ-UHFFFAOYSA-N	271.324	1.168	10	20	CDCD	
Cc1nccn1CC(=O)NCCc1ccc(N)cc1	876527470	GXGYIIAHEQKAHE-UHFFFAOYSA-N	258.325	1.133	10	20	CDCD	
CC(=O)c1cc(F)cc(CN(C)C[C@H](O)C2CC2)c1O	79785256	BEKWAIQUQLESDJ-AWEZNQCLSA-N	281.327	1.937	10	20	CDCD	
O=C(N[C@H]1CCN2CCC[C@H]2C1)c1cccc(O)c1O	253087728	DLSIPVMDNBRKSP-QWRGUYRKSA-N	276.336	1.454	10	20	CDCD	
CCN(C)C(=O)[C@@H](C)NCc1cc(OC)ccc1O	188468646	DFESZYBBRXTLNQ-SNVBAGLBSA-N	266.341	1.357	10	20	CDCD	
Cn1cc(CN2CCCc3cc(CN)ccc32)cn1	700905317	PVDFEWXUKLRVAN-UHFFFAOYSA-N	256.353	1.832	10	20	CDCD	
O=C(NCc1ccccc1O)[C@@H]1CC(=O)N(C2CC2)C1	701174852	GIMJSQSNPMOWNQ-LLVKDONJSA-N	274.320	1.019	10	20	CDCD	
COc1cccc(CN2CCC(S(C)(=O)=O)CC2)c1O	381238907	ZEVOKUWRWSIDRJ-UHFFFAOYSA-N	299.392	1.410	10	20	CDCD	
O=S(=O)(NCc1ccccc1O)c1ccsc1	714378733	USOOZCQZKIBVOP-UHFFFAOYSA-N	269.347	1.932	10	20	CDCD	
CCn1cc(CNC(=O)c2cccc(O)c2O)cn1	390382878	CDKDADLDLYVVFQ-UHFFFAOYSA-N	261.281	1.244	10	20	CDCD	
CCN1C[C@H](N[C@@H](C)c2cc(OC)ccc2O)CC1=O	391544988	PNNJKZRFNJSOJB-WDEREUQCSA-N	278.352	1.672	10	20	CDCD	
COc1cccc(CNC(=O)c2cnc(C)cn2)c1O	68488584	NXRDNKWMMSFUCY-UHFFFAOYSA-N	273.292	1.429	10	20	CDCD	
COc1cc(Cl)cc(CN2CCOCC2)c1O	184669790	NPYZQMFEJUHBRX-UHFFFAOYSA-N	257.717	1.886	10	20	CDCD	
COc1ccc(O)c(CNC(=O)CN2CCC(C)CC2)c1	136279999	PQRJCEZRFFJVRL-UHFFFAOYSA-N	292.379	1.749	10	20	CDCD	
CNC(=O)CNC(=O)c1cc(C)ccc1-n1c(C)ccc1C	195428735	UAPUQIKNHQJTSG-UHFFFAOYSA-N	299.374	1.878	10	20	CDCD	
OCC1(NCc2cc(F)ccc2O)CCOCC1	226608778	HIEGMXABYLSVOU-UHFFFAOYSA-N	255.289	1.162	10	20	CDCD	
Cc1ccc(CCNC(=O)Cc2ccc(N)cc2)cn1	237708896	GSRQHCZHCSZKSM-UHFFFAOYSA-N	269.348	1.874	10	20	CDCD	
CC(C)[C@@H]1OCC[C@H]1CNC(=O)Cc1ccc(N)cc1	262607618	CDBOFVDTLDMIKF-BBRMVZONSA-N	276.380	1.989	10	20	CDCD	
C[C@H](N[C@H](C)CO)c1ccc(N2CCOCC2)c(F)c1	268875614	WNRURIFTJHBXAQ-NEPJUHHUSA-N	282.359	1.694	10	20	CDCD	
CN1[C@H]2CC[C@H]1CN(C(=O)c1c(F)ccc(O)c1O)CC2	276563064	JFKGQFGJCGNMTM-UWVGGRQHSA-N	294.326	1.546	10	20	CDCD	
CSC[C@@H](C)NC(=O)c1c(F)ccc(O)c1O	276559135	IUMYBMXTNGCFPO-ZCFIWIBFSA-N	259.302	1.718	10	20	CDCD	
CN(C)c1ccc(CN2CCN3C(=O)OC[C@H]3C2)cc1	378343859	WPQQHORYSWWOCU-CQSZACIVSA-N	275.352	1.389	10	20	CDCD	
Cn1cc(N2CC[C@H](NCc3ccccc3O)C2)cn1	370902168	AYYLDOGEIDRINZ-ZDUSSCGKSA-N	272.352	1.494	10	20	CDCD	
O=C(NCc1noc2c1CCCC2)c1cccc(O)c1O	288028794	AGRKJWXCWPZBEU-UHFFFAOYSA-N	288.303	1.895	10	20	CDCD	
C[C@H](CC(N)=O)C(=O)N(C)Cc1ccc(N(C)C)cc1	283063511	UHDKTZXHGGJXTA-LLVKDONJSA-N	277.368	1.223	10	20	CDCD	
COC(=O)c1cnc(SCc2nc(C)n[nH]2)s1	295275266	JYDQAUXXDAHXQA-UHFFFAOYSA-N	270.339	1.649	10	20	CDCD	
CCOCCN(CC)C(=O)c1c(F)ccc(O)c1O	294797272	DTLCYMQREAHZGF-UHFFFAOYSA-N	271.288	1.736	10	20	CDCD	
CCO[C@H]1C[C@@H]1C(=O)NCc1ccc(N(C)C)cc1	298673675	VJRLMERJDIRZSZ-KBPBESRZSA-N	262.353	1.794	10	20	CDCD	
NC(=O)CN1C(=O)/C(=C/c2cccs2)SC1=S	727176683	NZWJKBCWJDTBSP-DAXSKMNVSA-N	284.387	1.435	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)CC2CCNCC2)c1	828666819	JBNQPUDWITZZLM-NSHDSACASA-N	292.379	1.968	10	20	CDCD	
Nc1cnn2c1N(C(=O)/C=C\c1cccnc1)CCC2	722393360	FZGBNUNBCXCESC-PLNGDYQASA-N	269.308	1.310	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CC=CCN1	903488959	ACGBIWASCUDBBJ-UHFFFAOYSA-N	288.395	1.087	10	20	CDCD	
CCO[C@H]1C[C@](N)(C(=O)Nc2ccc(N)cc2)C1(C)C	832244808	XEUDTKZUASTPSH-WFASDCNBSA-N	277.368	1.740	10	20	CDCD	
O=C(NCCC[C@@H]1CCOC1)c1c(F)ccc(O)c1O	839789332	YQUHFOMFDORYSJ-SECBINFHSA-N	283.299	1.783	10	20	CDCD	
CCN(CCN1CCOC1=O)c1ccc(OC)c(OC)c1	747681677	MVDJBKKUPUKOEM-UHFFFAOYSA-N	294.351	1.982	10	20	CDCD	
C[C@H](CCO)N(C)C(=O)/C=C/c1ccc(O)c(O)c1	846602189	QEXHXXISCVFRML-DFVUYQKZSA-N	265.309	1.340	10	20	CDCD	
CC(=O)c1cc(F)cc(CN[C@@](C)(CN)C2CC2)c1O	843355060	BCNIFGJKIQZNBR-HNNXBMFYSA-N	280.343	1.951	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CCCNC2)c1	841943590	RLCCJCFNOUUYIX-WDEREUQCSA-N	293.367	1.513	10	20	CDCD	
CC1(CNC(=O)NCCc2ccc(N)cc2)CCOCC1	841866696	NMBJIMILGWMJAW-UHFFFAOYSA-N	291.395	1.927	10	20	CDCD	
C[C@@H](NC(=O)N[C@H](CO)CCF)c1ccc(N(C)C)cc1	845123332	BCKDSMWMJNXZQK-YPMHNXCESA-N	297.374	1.833	10	20	CDCD	
CC(C)[C@H](N)CCN(C)Cc1cc2c(cc1O)OCO2	843056455	KLMNFNNDTCYYKS-GFCCVEGCSA-N	280.368	1.926	10	20	CDCD	
COc1ccc(CNC(=O)C2(CC(=O)O)CCC2)c(O)c1	843331851	FOZPXRDYAVGEGG-UHFFFAOYSA-N	293.319	1.662	10	20	CDCD	
CC1(C)CC[C@H]1NC(=O)C(=O)Nc1ccc(N)cc1	841130617	QYFCVSDGZXNJQT-LLVKDONJSA-N	261.325	1.512	10	20	CDCD	
CCOc1ccc(O)c(CN[C@H](CO)[C@H]2CCCOC2)c1	840963083	PZNIGEUGKTZXJK-SWLSCSKDSA-N	295.379	1.668	10	20	CDCD	
CCN1C(=O)C(C)(C)N[C@H]1c1ccc(OC)cc1O	840832299	BFXGRKXFUMVSDX-GFCCVEGCSA-N	264.325	1.630	10	20	CDCD	
CN(Cc1cc(Cl)cc(Cl)c1O)C[C@H](O)CN	841092278	LYKGVXFBOYDMHD-SECBINFHSA-N	279.167	1.450	10	20	CDCD	
CN(C)c1cc(F)c(CNC/C=C/CO)cc1F	858188609	VUCMKHHFLBGFGM-ONEGZZNKSA-N	256.296	1.669	10	20	CDCD	
CC[C@H](N[C@H](C)C(=O)N(C)OC)c1ccccc1O	858588346	ZCDRWAXVIUNTAT-PWSUYJOCSA-N	266.341	1.841	10	20	CDCD	
CCON(C)C(=O)NCc1ccc(N2CCOCC2)cc1	753391838	BEYBZDAWUHDMAG-UHFFFAOYSA-N	293.367	1.616	10	20	CDCD	
CCCN(Cc1ccccc1O)C[C@H](O)[C@H](C)O	929753348	NXBPINKQXZBPBB-FZMZJTMJSA-N	253.342	1.346	10	20	CDCD	
COCC1(N(C)C(=O)c2ccc(C)c(O)c2O)CC1	855339121	ZNHWDTLTPGOUOS-UHFFFAOYSA-N	265.309	1.657	10	20	CDCD	
C[C@@H](NC[C@H](O)c1cnn(C)c1)c1cc(F)ccc1O	756616001	YILIXKAAEMIXSN-OTYXRUKQSA-N	279.315	1.649	10	20	CDCD	
C[C@H](CC(N)=O)NCc1ccc(N2CCC(O)CC2)cc1	850567129	XCIFSLQHYOBUAH-GFCCVEGCSA-N	291.395	1.001	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H]1CCCN1C=O	935946109	YACMLVOTLNAHSL-LLVKDONJSA-N	297.351	1.115	10	20	CDCD	
C[C@H](N)CN(C)C(=O)NCc1ccc(N2CC=CC2)cc1	861590470	SBAGBXQSLVJDPH-ZDUSSCGKSA-N	288.395	1.551	10	20	CDCD	
COc1cc(O)c(CN(C)C2CC(O)C2)cc1OC	761221223	BZJAEIMMFFBCGK-UHFFFAOYSA-N	267.325	1.365	10	20	CDCD	
CO[C@H]1CCN(Cc2ccc(N3CCC(O)CC3)cc2)C1	876746530	RWKGITBKVBUVLN-KRWDZBQOSA-N	290.407	1.868	10	20	CDCD	
C[C@H]1C[C@H](CNC(=O)c2cc(O)cs2)CCO1	771416149	LHLZSIIGPRLNKF-DTWKUNHWSA-N	255.339	1.999	10	20	CDCD	
CCN(C)c1ccc(CN2C[C@@H](O)C[C@@H]2C(=O)OC)cc1	773889564	XSSIPQJPDSKTHQ-LSDHHAIUSA-N	292.379	1.251	10	20	CDCD	
CC(C)[C@H](C(=O)NCc1ccc(O)c(O)c1)N(C)C	778929183	GLMCZWBQIMHKSK-CYBMUJFWSA-N	266.341	1.300	10	20	CDCD	
C[C@@H](NC(=O)Cn1ccccc1=O)c1ccc(N(C)C)cc1	773002142	YDYZDWBRYYEIBA-CYBMUJFWSA-N	299.374	1.792	10	20	CDCD	
O=C1COc2ncc(C(=O)NCc3ccccc3O)cc2N1	770789989	BTCARAHHFSKXAB-UHFFFAOYSA-N	299.286	1.048	10	20	CDCD	
Cc1cccc(O)c1CN1C[C@H](CO)OC(C)(C)C1	877594066	ANVRTRWXMUJRAI-GFCCVEGCSA-N	265.353	1.672	10	20	CDCD	
Cc1nnc2c(N[C@@H](C)Cc3ccc(O)c(O)c3)nccn12	1120921719	VBFRYROOAOHQNP-VIFPVBQESA-N	299.334	1.887	10	20	CDCD	
CN1CCC(C(=O)NCc2ccc(O)c(O)c2)CC1	778916543	KNYNBLHSOITGOW-UHFFFAOYSA-N	264.325	1.056	10	20	CDCD	
CN[C@@H](CC(C)C)C(=O)NCc1ccc(OC)cc1O	884334960	GSDKXYDZPAETHT-ZDUSSCGKSA-N	280.368	1.651	10	20	CDCD	
COCC[C@H](CO)N[C@H](C)c1c(O)cccc1F	886604990	HJSRVFWNDSIJIQ-NXEZZACHSA-N	257.305	1.579	10	20	CDCD	
Cc1ccc(C(=O)NCc2ncccc2F)c(O)c1O	780992636	AILSZXVEVNHIIZ-UHFFFAOYSA-N	276.267	1.870	10	20	CDCD	
CCn1ncnc1CNC(=O)N(C)Cc1ccccc1O	793462341	UUNFYHIMIMRKFL-UHFFFAOYSA-N	289.339	1.345	10	20	CDCD	
COc1ccc(CNc2nccn(C)c2=O)c(O)c1	795283567	BUMDYWBZHCUCIN-UHFFFAOYSA-N	261.281	1.107	10	20	CDCD	
CC[C@H](NC[C@](C)(O)COC)c1ccc(F)cc1O	796762126	RNUNNALXOPUKHZ-JSGCOSHPSA-N	271.332	1.969	10	20	CDCD	
CN1CCN(c2ccc(CNc3cnccn3)cc2)CC1	792687902	HRAACMPRFQOBMA-UHFFFAOYSA-N	283.379	1.841	10	20	CDCD	
COc1cccc(CNCCN2CC[C@@H](C)C2)c1O	744449119	AQCUFXIKNBTRRT-GFCCVEGCSA-N	264.369	1.832	10	20	CDCD	
CCCN1CCN(Cc2cc3c(cc2O)OCO3)CC1	96942650	VYECVAJWDGHOAC-UHFFFAOYSA-N	278.352	1.649	10	20	CDCD	
COC(=O)[C@@H]1CC[C@H](NC(=O)c2cc(O)cs2)C1	1178176047	WTBMPQWDZLCRMD-SFYZADRCSA-N	269.322	1.525	10	20	CDCD	
O=C(NCc1ccccc1O)c1cnc(C2CC2)[nH]1	1322710875	ZVYPFGJXDHMIQI-UHFFFAOYSA-N	257.293	1.923	10	20	CDCD	
Cn1c(-c2sccc2O)nnc1N1CCCC1	1350470828	UPDKCOBTOZLKPY-UHFFFAOYSA-N	250.327	1.849	10	20	CDCD	
CCNCC(=O)NCc1c(O)ccc2ccccc12	1577831973	UDZBFSRIHTXWKY-UHFFFAOYSA-N	258.321	1.771	10	20	CDCD	
C[C@@H]1OCC[C@@H]1NCc1ccc(N2CCOCC2)cc1	120432798	UDOKYSWNIAUGOY-BBRMVZONSA-N	276.380	1.790	10	20	CDCD	
CON(C)C(=O)CCSc1ncc(C(=O)O)s1	1599315335	DJMUNKQUORLLDT-UHFFFAOYSA-N	276.339	1.343	10	20	CDCD	
CN(C)S(=O)(=O)CCNCc1c(O)cccc1Cl	230994747	LOUVPZVWPVMRAC-UHFFFAOYSA-N	292.788	1.027	10	20	CDCD	
C/C=C/C(=O)NCc1ccc(N2CCN(C)CC2)cc1	169807644	DEEONHJNFRHFSD-ONEGZZNKSA-N	273.380	1.631	10	20	CDCD	
Cc1ccc(O)c(CN2CCC(NS(C)(=O)=O)CC2)c1	123498773	JMKBPWVOQJUNQR-UHFFFAOYSA-N	298.408	1.214	10	20	CDCD	
CNC(=O)CN1CCCc2cc(OC(F)F)ccc21	157838520	WEOOVGDLURRHRX-UHFFFAOYSA-N	270.279	1.787	10	20	CDCD	
C[C@@]1(N)CCCC[C@@H]1C(=O)NCc1ccccc1O	828015725	LDGANTIXLXVMIE-IUODEOHRSA-N	262.353	1.916	10	20	CDCD	
CC[C@H](NC(=O)c1cccc(O)c1O)C(C)(C)O	293962225	IQGBBPAXTYAVPI-JTQLQIEISA-N	253.298	1.377	10	20	CDCD	
Oc1ccc(F)cc1CN1CCN([C@@H]2CCNC2)CC1	312442857	XFHFONOZUSWNDP-CQSZACIVSA-N	279.359	1.011	10	20	CDCD	
COc1cccc(CNC(=O)c2c(C)noc2C)c1O	105652685	YETZGXMDCMOMQA-UHFFFAOYSA-N	276.292	1.936	10	20	CDCD	
O=C(NCCCSc1nccs1)C1=COCCO1	114374469	KYMPYUFTNDIQRE-UHFFFAOYSA-N	286.378	1.630	10	20	CDCD	
CCN(CCO)C(=O)NCc1ccc(N(C)C)cc1C	115854387	KFUFQMVNPJIZOJ-UHFFFAOYSA-N	279.384	1.585	10	20	CDCD	
COc1ccc(O)c(CN(CCS(C)(=O)=O)C2CC2)c1	180576591	SLNJEPTVKMKKCZ-UHFFFAOYSA-N	299.392	1.410	10	20	CDCD	
O=C1NCCN1C1CCN(Cc2cc(F)ccc2O)CC1	183253233	PGAAZTWVJUDKME-UHFFFAOYSA-N	293.342	1.521	10	20	CDCD	
COC(=O)[C@H]1CN(Cc2cc(F)ccc2O)C[C@@H](C)O1	180277111	UTEGJFHBUDNJAU-NOZJJQNGSA-N	283.299	1.294	10	20	CDCD	
O=C(Cn1cc(NCc2ccccc2O)cn1)NC1CC1	37786818	HJMTWRBCBHZAPN-UHFFFAOYSA-N	286.335	1.479	10	20	CDCD	
CCCC[C@@H](CC)CNC=C1C(=O)NC(=S)NC1=O	48402859	SWFNLIRWKAJYMB-SECBINFHSA-N	283.397	1.207	10	20	CDCD	
CCS(=O)(=O)CCNCc1ccc(N(C)C)cc1	69173279	CRROJBBIMRFGBG-UHFFFAOYSA-N	270.398	1.277	10	20	CDCD	
CNC(=O)[C@H]1CCCCN1Cc1cc(F)ccc1O	179934341	AELLXESHPYTOTE-GFCCVEGCSA-N	266.316	1.632	10	20	CDCD	
COc1ccc(O)c(CNC[C@H]2CN3CCC[C@H]3CO2)c1	252539958	CAPDFOSQWUAFLH-ZFWWWQNUSA-N	292.379	1.354	10	20	CDCD	
C[C@@H](NC[C@@H](O)CN1CCCC1)c1ccc(N(C)C)cc1	268872102	VKPDAWULDYRDIF-RHSMWYFYSA-N	291.439	1.860	10	20	CDCD	
COCC1(O)CCN(Cc2ccccc2O)CC1	272322137	UQGCBBDRWODNMP-UHFFFAOYSA-N	251.326	1.366	10	20	CDCD	
COc1cccc(CN[C@@H]2CCc3c[nH]nc3C2)c1O	369828613	BJLOHLULQUXQKI-GFCCVEGCSA-N	273.336	1.771	10	20	CDCD	
CSCC[C@H](O)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	274941020	PMPBIVLJEFZIMM-SKDRFNHKSA-N	299.392	1.259	10	20	CDCD	
COCCCN[C@@H](C)c1cc([N+](=O)[O-])ccc1O	273435710	WXPMLEKPCJXERP-VIFPVBQESA-N	254.286	1.988	10	20	CDCD	
CC[C@H](NCC[C@H](O)COC)c1ccc(F)cc1O	286342980	YYHGNAPSVHXREM-AAEUAGOBSA-N	271.332	1.969	10	20	CDCD	
OC[C@@]1(F)CCN(Cc2cc3c(cc2O)OCO3)C1	802660368	JQKAPWSJXBSONW-CYBMUJFWSA-N	269.272	1.027	10	20	CDCD	
CC[C@@H](N[C@@H](C)C(=O)NC)c1ccc(F)cc1O	291892106	KQVXGEKNPPGVQR-GZMMTYOYSA-N	254.305	1.707	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)C1(C(=O)NC)CC1	808095402	ZOGYEGKROBZZQJ-UHFFFAOYSA-N	297.351	1.020	10	20	CDCD	
COc1cccc(CNC(=O)c2cncn2C)c1O	809660695	SZDDLORLTHJOCV-UHFFFAOYSA-N	261.281	1.064	10	20	CDCD	
C[C@@H](NC(=O)Nc1cnnn1C)c1ccc(N(C)C)cc1	809901074	LTTFENLLSUPVTE-SNVBAGLBSA-N	288.355	1.764	10	20	CDCD	
COC[C@H](O)CN[C@H](C)c1cc(F)cc(F)c1O	802310413	SCQLQSACYAJHHN-VXNVDRBHSA-N	261.268	1.328	10	20	CDCD	
C[C@@H](NC[C@@H]1CNCCO1)c1cc(F)ccc1O	817984171	VRSXNSNVKIMKKC-KOLCDFICSA-N	254.305	1.170	10	20	CDCD	
COc1cc(O)c(CN(C)Cc2cnc[nH]2)cc1OC	826769575	NQNKPXMCDVFLPV-UHFFFAOYSA-N	277.324	1.765	10	20	CDCD	
COc1ccc(CNC(=O)[C@@H]2CCCC(=O)N2C)c(O)c1	907926309	LTIZGDXAHIJWGR-LBPRGKRZSA-N	292.335	1.028	10	20	CDCD	
O=C(NC[C@H](O)c1ccco1)c1cc(O)cs1	732271109	BHIZNXKMYPWPSZ-QMMMGPOBSA-N	253.279	1.510	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)c2cnc(C)[nH]2)c1	732286874	JOVARKHKZGYOGR-QMMMGPOBSA-N	275.308	1.923	10	20	CDCD	
COC[C@](C)(CC(=O)O)NCc1ccc(N(C)C)cc1	901793985	BUKSNZFPCMVEJH-HNNXBMFYSA-N	280.368	1.722	10	20	CDCD	
Cc1nnc(CNC(=O)Cc2ccc(N)cc2)n1C1CC1	832144559	GKRKVGFVJSZGTQ-UHFFFAOYSA-N	285.351	1.363	10	20	CDCD	
COC[C@@H](OC)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	832431754	UBRBMLLPUMXVHU-BXUZGUMPSA-N	280.368	1.591	10	20	CDCD	
O=C(O)/C=C\c1ccc(N(CCO)C2CC2)c([N+](=O)[O-])c1	833196290	QHRIXALHDCCCDN-KXFIGUGUSA-N	292.291	1.654	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2CO)c(O)c1O	837087516	DDFUAKREPFZFKT-MWLCHTKSSA-N	265.309	1.297	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)c1cccc(C(=O)O)n1	830860180	NQBMKOBDXRGGMW-UHFFFAOYSA-N	286.287	1.758	10	20	CDCD	
CCc1cccc(CNCCN2CCO[C@H](C)C2)c1O	848895604	OOIHDSSKIFYSFO-CYBMUJFWSA-N	278.396	1.765	10	20	CDCD	
CCN[C@H](C)CNCc1ccc(N2CCOCC2)c(F)c1	841065610	KEQWTUJOLBOOCR-CYBMUJFWSA-N	295.402	1.750	10	20	CDCD	
C[C@H](CO)N(C)c1ccc(/C=C/C(=O)O)cc1[N+](=O)[O-]	844210123	ONQKIVCDKYKTAW-OTQAPUNGSA-N	280.280	1.510	10	20	CDCD	
C[C@@H]1OCC[C@@H]1NC[C@H](N)c1ccc(N(C)C)cc1	841045713	OTJMIFVVWQPSAE-CQDKDKBSSA-N	263.385	1.519	10	20	CDCD	
C[C@@H](CN)CNC(=O)NCc1ccc(N(C)C)c(F)c1	841761172	NNUMBQRCXYHHGA-JTQLQIEISA-N	282.363	1.286	10	20	CDCD	
CN(C)c1ccc(/C=C\CN2CC(C(=O)O)C2)cc1	840998712	OYXVNKHPMGWELV-ARJAWSKDSA-N	260.337	1.782	10	20	CDCD	
COc1ccc(N(C)CCN(C)C(=O)NC2CC2)cc1	844281230	NQTQRTSETVKANX-UHFFFAOYSA-N	277.368	1.935	10	20	CDCD	
C[C@@H](N)[C@H]1CN(Cc2ccc(N(C)C)c(F)c2)CCO1	843058261	QMMRJZHJKNIAMV-IAQYHMDHSA-N	281.375	1.440	10	20	CDCD	
C[C@@H](CN)CNCc1cc(Cl)cc([N+](=O)[O-])c1O	841050143	YHOQHGHPKFRKHT-ZETCQYMHSA-N	273.720	1.638	10	20	CDCD	
C[C@@H]1CN(C(=O)NCCc2ccc(N)cc2)[C@H](C)CO1	841960782	WXBHNDKFSSELRX-VXGBXAGGSA-N	277.368	1.630	10	20	CDCD	
COc1ccc(N(C)CCN(C)CCn2cncn2)cc1	844399453	JWYVYWNGTGZMLU-UHFFFAOYSA-N	289.383	1.355	10	20	CDCD	
NCC[C@H](NCc1ccc2c(c1)CCO2)C(F)F	841072251	MKUOWIBTDQYIKB-NSHDSACASA-N	256.296	1.694	10	20	CDCD	
CC[C@@H](O)CNCc1ccc(N2CCC(CO)CC2)cc1	843065112	IZKYQFLHLLKOKA-QGZVFWFLSA-N	292.423	1.756	10	20	CDCD	
C[C@@H](NC[C@@H]1CN(C)CCN1C)c1cc(F)cc(F)c1O	756568398	DRTQIKDJKYSATF-ZYHUDNBSSA-N	299.365	1.567	10	20	CDCD	
CO[C@](C)(C(=O)O)C(=O)NCc1ccc(N(C)C)cc1C	852952613	NDEGSKSNZCDTII-HNNXBMFYSA-N	294.351	1.167	10	20	CDCD	
CN(C[C@H](O)COC[C@H]1CCCO1)c1ccc(N)cc1	923401207	RXUOQDVBCMVXMY-LSDHHAIUSA-N	280.368	1.262	10	20	CDCD	
Cc1ccc(C(=O)O[C@@H](C)C(=O)NCC(C)C)c(O)c1O	750621890	LWARJIFNQJNPEZ-JTQLQIEISA-N	295.335	1.724	10	20	CDCD	
Cn1ccnc1[C@@H]1CCN(C(=O)c2cc(O)cs2)C1	756809831	RVQYJXLJIJSZRP-SECBINFHSA-N	277.349	1.817	10	20	CDCD	
CCC(=O)N1CC[C@H](C(=O)NCc2cc(C)ccc2O)C1	862758249	UJDDAVLGTJSUDA-LBPRGKRZSA-N	290.363	1.575	10	20	CDCD	
CCN(Cc1cc2c(cc1O)OC[C@@H]2O)C[C@H]1CCOC1	768446502	KSYCRCDHKQUUSK-ABAIWWIYSA-N	293.363	1.676	10	20	CDCD	
CN(CC(F)F)C(=O)/C=C\c1ccc(O)c(O)c1	779482486	GJZZKPNGTREWHD-HYXAFXHYSA-N	257.236	1.835	10	20	CDCD	
COc1ccc(O)c(CN2CCC(CCO)CC2)c1	775647977	KTKVRFADIXKRPW-UHFFFAOYSA-N	265.353	1.995	10	20	CDCD	
O=C1N[C@@H](c2ccc(O)c(O)c2)N2CCc3ccccc3[C@H]12	877855851	KXWCMUYNWJLOLY-HZPDHXFCSA-N	296.326	1.826	10	20	CDCD	
CN1CCN(Cc2cc(Cl)cc(F)c2O)CC1	775633799	KPRQJDYYGNRCGG-UHFFFAOYSA-N	258.724	1.932	10	20	CDCD	
CCN(CC)C[C@H](C)NC(=O)c1ccc(C)c(O)c1O	780939901	KPPVYNNELRZSCQ-NSHDSACASA-N	280.368	1.866	10	20	CDCD	
CC(C)(C)n1ccc(C(=O)NCc2cccc(O)c2O)n1	1123890191	VOBXZBREKRVPDZ-UHFFFAOYSA-N	289.335	1.979	10	20	CDCD	
COc1cc(C)cc(CN[C@H](C)[C@@H](CO)SC)c1O	894281353	OPNNZPDZCDSXCI-ZWNOBZJWSA-N	285.409	1.911	10	20	CDCD	
CN(Cc1cc(F)cc(F)c1O)[C@]1(CO)CCOC1	895385450	CFBXSTOTTRZDIU-ZDUSSCGKSA-N	273.279	1.254	10	20	CDCD	
CC(=O)Nc1ccc(CNC(=O)c2cc(O)cs2)cn1	791008741	OJGVCOLOYOVZER-UHFFFAOYSA-N	291.332	1.737	10	20	CDCD	
C[C@]1(O)CCCN(Cc2cc3c(cc2O)OC[C@@H]3O)CC1	794672467	LAHJRNSLYOHTBY-HOCLYGCPSA-N	293.363	1.555	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)COC	52851277	GGPREHGPNHUDAD-UHFFFAOYSA-N	250.342	1.748	10	20	CDCD	
Cc1cccc2nc(C(=O)NCc3ccc(O)c(O)c3)cn12	1319901835	ISUBOAORYGQSPU-UHFFFAOYSA-N	297.314	1.984	10	20	CDCD	
C[C@H](O)CC(C)(C)CNC(=O)c1cccc(O)c1O	187124948	FJFNKHMDKJZCEI-VIFPVBQESA-N	267.325	1.625	10	20	CDCD	
CC(=O)N[C@H](CC(C)C)C(=O)NCc1ccccc1O	704358061	GTJNSKMISIVARZ-CYBMUJFWSA-N	278.352	1.559	10	20	CDCD	
CCNC(=O)[C@@H](C)NCc1cc(F)cc(F)c1O	708446036	ZALDSHQBYWDLDU-SSDOTTSWSA-N	258.268	1.285	10	20	CDCD	
CN1C(=O)C2(CCCC2)N[C@H]1c1cc(O)ccc1O	1323207385	WQLVXUDZQSFGBQ-GFCCVEGCSA-N	262.309	1.471	10	20	CDCD	
CCC[C@H](CC)NC(=O)C(=O)NCCc1ccc(N)cc1	1331489522	SQKWDUVEYLCKCV-AWEZNQCLSA-N	291.395	1.622	10	20	CDCD	
COc1cccc(O)c1CNC1CCN(C(C)=O)CC1	727644785	RLQXAXMXNDOUFM-UHFFFAOYSA-N	278.352	1.501	10	20	CDCD	
C[C@H](O)CCCNC(=O)NCc1ccc(N)cc1	1336290389	MPTGZWKYDNWKHH-JTQLQIEISA-N	251.330	1.229	10	20	CDCD	
COC[C@H]1CCN(C(=O)NCc2ccc(N)cc2)C1	1335738344	ZZLLFZKBCMAYMU-LBPRGKRZSA-N	263.341	1.447	10	20	CDCD	
Nc1ccc(CNC(=O)N2CCC[C@H](O)CC2)cc1	1346738388	HJUPOBNWYJOFCL-ZDUSSCGKSA-N	263.341	1.325	10	20	CDCD	
COc1ccc(CNC(=O)NCc2nnc(C)o2)c(O)c1	1344367613	YQIYEKYJOBSXSQ-UHFFFAOYSA-N	292.295	1.092	10	20	CDCD	
O=C(NCc1cccc(O)c1O)c1noc2c1CCCC2	1350300664	WHFUAYACBVVEOB-UHFFFAOYSA-N	288.303	1.895	10	20	CDCD	
O=C(O)C1=CC[C@H](NCc2cc(F)ccc2O)C1	1601740158	IHHYHPHZWKLCGI-NSHDSACASA-N	251.257	1.794	10	20	CDCD	
O=C(NCc1c(O)cccc1F)N[C@H]1CC=C(C(=O)O)C1	1608464532	XCYNTFWGVLCGRT-VIFPVBQESA-N	294.282	1.504	10	20	CDCD	
COC[C@@](C)(O)CN[C@H](C)c1cc(C(=O)O)ccc1O	1606792362	OKBNBNRPJSMDPJ-OTYXRUKQSA-N	283.324	1.138	10	20	CDCD	
Nc1ccc(Cc2noc(CCSCC(=O)O)n2)cc1	1610648944	IKFRQQBKZMNYAK-UHFFFAOYSA-N	293.348	1.603	10	20	CDCD	
COc1cc(O)ncc1C(=O)NCCc1ccc(N)cc1	1579136259	HEBZUSXIZDAGFI-UHFFFAOYSA-N	287.319	1.351	10	20	CDCD	
COc1ccc(O)c(CN[C@@H]2CC=C(C(=O)O)C2)c1	1599598032	DZCMOGZKTFAGCE-LLVKDONJSA-N	263.293	1.664	10	20	CDCD	
CN(C)CC[C@@H](NCc1ccc2c(c1)CCO2)C(=O)O	1777030470	XRTDHGJDMPFTRZ-CYBMUJFWSA-N	278.352	1.116	10	20	CDCD	
COc1cccc(CN2CCCC[C@@H]2C(N)=O)c1O	162067440	PQFOMVNKTCTMDU-LLVKDONJSA-N	264.325	1.241	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N2CC[C@@H](CO)C2)cc1	153283204	SLCWWVQYKUOLPF-CYBMUJFWSA-N	277.368	1.276	10	20	CDCD	
COC[C@](C)(O)CNCc1ccc2c(c1)CCCO2	921732416	MULBTXCGZBHSSL-OAHLLOKOSA-N	265.353	1.499	10	20	CDCD	
C[C@H]1CCC[C@@]1(O)CNC(=O)Nc1ccc(N)cc1	841300691	ZZXZHZOMILHRQQ-IINYFYTJSA-N	263.341	1.941	10	20	CDCD	
COc1cccc(O)c1CN1CC[C@H](C(=O)O)[C@@H]1C	1599680290	KAGDXFIIROBCDT-UWVGGRQHSA-N	265.309	1.696	10	20	CDCD	
Cc1ccc(O)c([C@@H](C)NCCNC(=O)C2CC2)c1	168733677	XJNFRORYRIYVIW-LLVKDONJSA-N	262.353	1.877	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)CC(C)(CO)CO	93502473	KOVGMCMESROCIZ-UHFFFAOYSA-N	266.385	1.175	10	20	CDCD	
Cc1ccc([C@@H](C)NCCN2CCC(O)CC2)c(O)c1	296094743	YJCRLPQFSOQEIR-CYBMUJFWSA-N	278.396	1.808	10	20	CDCD	
C[C@H](CS(C)(=O)=O)N(C)Cc1cc(F)cc(F)c1O	708383526	MBNIDIKKMAYDJV-MRVPVSSYSA-N	293.335	1.535	10	20	CDCD	
C[C@@H]1CCN(C(=O)Cc2ccc(N)cc2)C[C@H]1CN	841857982	XMKUIMGQSTUBFJ-DGCLKSJQSA-N	261.369	1.255	10	20	CDCD	
C/C=C/C[C@@H](CO)NCc1cc(OC)ccc1O	186530690	CFPPDKRRGKLTRJ-PCAWENJQSA-N	251.326	1.818	10	20	CDCD	
COc1cc(Cl)cc(CN(C)C[C@H](C)O)c1O	187820339	QGROARIKCMNXSX-QMMMGPOBSA-N	259.733	1.867	10	20	CDCD	
C[C@H](NC(=O)c1cccc(O)c1O)c1nnc2ccccn12	188139200	MXNNPZRQPZTUBT-VIFPVBQESA-N	298.302	1.632	10	20	CDCD	
CCOc1ccc(O)c(CNCC(=O)N(C)CC)c1	185181522	WSAQFQGZCIFSSO-UHFFFAOYSA-N	266.341	1.359	10	20	CDCD	
CCOc1ccc(O)c(CN2CCN(C[C@H](C)O)CC2)c1	189857331	MVRAHMAOOMCLBG-ZDUSSCGKSA-N	294.395	1.289	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N2CCC[C@@]2(C)CO)cc1	125001584	NOVSZLMZWIHFGS-INIZCTEOSA-N	291.395	1.809	10	20	CDCD	
Cn1cc(/C=C\C(=O)N2CCc3cc(C(=O)O)ccc32)cn1	314167514	BJXNHLNNUZOXLT-DJWKRKHSSA-N	297.314	1.721	10	20	CDCD	
C[C@H](O)C(=O)N1CCN(Cc2cccc(Cl)c2O)CC1	180497733	NLLYBOKYHAOPTP-JTQLQIEISA-N	298.770	1.071	10	20	CDCD	
CCS(=O)(=O)N(C)Cc1ccc(N2CCOCC2)cc1	70286491	STQGHQWEYPHVRX-UHFFFAOYSA-N	298.408	1.305	10	20	CDCD	
COC[C@@H](CNCc1cccc(OC)c1O)OC	227706685	PSUJEJKKDPIXHM-LLVKDONJSA-N	255.314	1.152	10	20	CDCD	
C[C@H]1CCNC(=O)[C@H]1NCc1cccc(Cl)c1O	195008077	KZXROHMHBBWUGF-KWQFWETISA-N	268.744	1.660	10	20	CDCD	
CCOC(=O)[C@H]1CNCCN1Cc1ccc(N(C)C)cc1	88658059	FSJRYMPUDYVUCR-OAHLLOKOSA-N	291.395	1.090	10	20	CDCD	
COCCOCCN[C@@H](C)c1ccc(F)c(F)c1O	191220120	USLXBOWMQQDSGN-VIFPVBQESA-N	275.295	1.984	10	20	CDCD	
O=[N+]([O-])c1cc(Cl)cc(CN2CCC[C@H]2CO)c1O	92455719	JUIDPXFXQYJMAO-JTQLQIEISA-N	286.715	1.911	10	20	CDCD	
CN(C)[C@@]1(CNC(=O)Cc2ccc(N)cc2)CCSC1	269223680	BHCPTJDGHFKDJH-OAHLLOKOSA-N	293.436	1.365	10	20	CDCD	
C[C@@H](NCCO)c1ccc(N2CCOCC2)cc1	268760095	ZMCOBIAJEFAPHE-GFCCVEGCSA-N	250.342	1.166	10	20	CDCD	
CNC(=O)CCCC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	275994673	QWHCBDIJCTWHOZ-JTQLQIEISA-N	294.351	1.061	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1cnn(C)c1	274903542	HBGHXYZMYGAALT-JTQLQIEISA-N	289.335	1.121	10	20	CDCD	
CC(C)[C@H](CCO)NC(=O)c1c(F)ccc(O)c1O	276531151	DTZFNEAMNNOYOI-VIFPVBQESA-N	271.288	1.374	10	20	CDCD	
CN(C)c1ccc(CN[C@@]2(CCO)CCOC2)cc1	278498257	NFVVOCFJACHHJD-HNNXBMFYSA-N	264.369	1.384	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)NC[C@H]2CC[C@@H](O)C2)c1	276618433	MEAHIUMBQLTZJY-GMXVVIOVSA-N	293.363	1.990	10	20	CDCD	
CCOc1cccc(CNCc2nonc2C)c1O	809744201	AFRRCRPLFKSAOX-UHFFFAOYSA-N	263.297	1.772	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)/C=C\c1cnn(C)c1	706394304	VOFQRDNYKDQYIF-FPLPWBNLSA-N	271.320	1.798	10	20	CDCD	
Cc1nccnc1CCNCc1cc(F)ccc1O	293585987	IDGJUNKTKDVJDG-UHFFFAOYSA-N	261.300	1.962	10	20	CDCD	
O=C(CN1CCCCC1=O)NCc1ccccc1O	299538333	IKXSLYIOGDNTLG-UHFFFAOYSA-N	262.309	1.021	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@]2(C)CCOC2=O)c1O	290789124	DKVZWAALMQDJPR-CYBMUJFWSA-N	296.279	1.104	10	20	CDCD	
C[C@@H](NC[C@@H](N)c1ccc(N(C)C)cc1)[C@@H]1CCCCN1	817943858	WAYZRDNYXANXQP-XYPHTWIQSA-N	290.455	1.873	10	20	CDCD	
COc1cccc(CNC(=O)NC[C@@H](C)OC)c1O	821714665	XVKVSECLEUMNSN-SECBINFHSA-N	268.313	1.235	10	20	CDCD	
COc1ncc(/C=C/C(=O)N2CCOc3ncccc32)cn1	492673057	FGGBHCIFENZKLI-SNAWJCMRSA-N	298.302	1.319	10	20	CDCD	
CC(C)(O)CCNC(=O)c1c(F)ccc(O)c1O	828896453	IGWUZJMBVYNBQY-UHFFFAOYSA-N	257.261	1.128	10	20	CDCD	
CCO[C@@H]1COC[C@H]1NC(=O)/C=C/c1ccc(O)c(O)c1	837092987	VSBWDAAMWYNYLR-JDRNFJBZSA-N	293.319	1.031	10	20	CDCD	
CN1C(=O)CCC[C@@H]1C(=O)NCc1cc(Cl)ccc1O	911896423	ATAUMSFNSDUCKA-LLVKDONJSA-N	296.754	1.673	10	20	CDCD	
CCOc1ccc(O)c(CN2CC[C@H](N)[C@@H](C)C2)c1	843052441	UDJWKNBGRRPBPM-FZMZJTMJSA-N	264.369	1.960	10	20	CDCD	
C[C@H](CCN)NCc1cc(Br)ccc1O	841052500	ZJFIPDCKHLROCH-MRVPVSSYSA-N	273.174	1.982	10	20	CDCD	
CNCCN(C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	841882339	JLZPSCMQALUTDG-LBPRGKRZSA-N	278.400	1.674	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NCC2(N)CCC2)cc1F	841759738	HZXRAHXMTANPNV-UHFFFAOYSA-N	294.374	1.572	10	20	CDCD	
C[C@H](CCCCN)NCc1cc2c(cc1O)OCO2	841078835	HCAIFGNWAWVBMT-SNVBAGLBSA-N	266.341	1.728	10	20	CDCD	
CCC(CC)(C(=O)O)C(=O)NCCc1ccc(N)cc1	849365220	ZBZYFOUYBTWELR-UHFFFAOYSA-N	278.352	1.819	10	20	CDCD	
COC(C)(C)CC(=O)N(CC(=O)O)Cc1ccccc1O	911489089	OZXPEBYJPOFVCF-UHFFFAOYSA-N	295.335	1.621	10	20	CDCD	
Nc1ccc(CCNC(=O)N[C@@H]2CCc3n[nH]cc3C2)cc1	841859605	DYWOZIWZMSSZGX-CQSZACIVSA-N	299.378	1.391	10	20	CDCD	
CC(C)(CO)C(=O)NCc1c(O)ccc2c1CCCC2	847591016	MWXRSAJCFXAFQA-UHFFFAOYSA-N	277.364	1.906	10	20	CDCD	
COc1cccc([C@@H](C)NC[C@H](O)c2cnn(C)c2)c1O	846143089	APNCLPQWPMRRLV-MFKMUULPSA-N	291.351	1.519	10	20	CDCD	
N=C(NCc1cc(Cl)ccc1O)N1CCOCC1	849048576	JNDXWKJSYKAYGQ-UHFFFAOYSA-N	269.732	1.402	10	20	CDCD	
COc1cncc(C(=O)NCc2cc(Cl)ccc2O)n1	857548605	QBBYFLBJHRCMOI-UHFFFAOYSA-N	293.710	1.774	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NC[C@H]2CCCN2C)c1	858278753	IHUDMOLESWTELD-CYBMUJFWSA-N	277.368	1.594	10	20	CDCD	
Cc1nnc(NCc2ccc(N3CCC(O)CC3)cc2)o1	853955837	YCNIUECZNCNOOW-UHFFFAOYSA-N	288.351	1.951	10	20	CDCD	
O=C1CN(C(=O)c2cc(O)cs2)[C@H]2CCCC[C@@H]2N1	759099215	KHTJHBLDOGKBOC-UWVGGRQHSA-N	280.349	1.337	10	20	CDCD	
Nc1ccc(CC(=O)N[C@@H]2CCCN3CCCC[C@@H]23)cc1	852898917	AWLPFNXZTUXHJJ-CVEARBPZSA-N	287.407	1.944	10	20	CDCD	
C[C@H](NC(=O)c1cc(O)cs1)[C@H](O)C(F)(F)F	854921083	IHZSWMAJKOZUBI-FFWSUHOLSA-N	269.244	1.495	10	20	CDCD	
CCC[C@H](O)C(=O)N[C@H](C)c1cc(OC)ccc1O	934940318	LEVCEKZZGIMHSA-RNCFNFMXSA-N	267.325	1.739	10	20	CDCD	
COCCONC(=O)N[C@H](C)c1ccccc1O	868559045	ZTULRIHGOQPTGK-SECBINFHSA-N	254.286	1.330	10	20	CDCD	
O=C1N[C@@H](C2CC2)C(=O)N1CCCSc1nccs1	761301795	UFVMGNAYXHNCBP-VIFPVBQESA-N	297.405	1.956	10	20	CDCD	
CCOCC[C@@H](O)CN[C@@H](C)c1cc(OC)ccc1O	769785333	AIJPVHBMQKCKLZ-NWDGAFQWSA-N	283.368	1.839	10	20	CDCD	
COC(=O)[C@H]1[C@@H](O)CCCN1Cc1ccc(C)cc1O	877460625	VIALJLNNHLRYIR-GXTWGEPZSA-N	279.336	1.199	10	20	CDCD	
COc1ccc(CN[C@@H]2CCOC2)cc1Cn1cccn1	873095079	RCWHBHSVALVXBY-OAHLLOKOSA-N	287.363	1.819	10	20	CDCD	
CCN(C)c1ccc(CN[C@]2(C(=O)OC)CCOC2)cc1	773816879	HJSGGYQNJFWRBG-MRXNPFEDSA-N	292.379	1.564	10	20	CDCD	
CC(C)[C@]1(CO)CCN(C(=O)c2cc(O)cs2)C1	1118704143	YADSWYOJPAKTIQ-CYBMUJFWSA-N	269.366	1.934	10	20	CDCD	
Cc1ccc(CN2CC[C@@H](N3CCCC3=O)C2)c(O)c1	877471856	CFIAIDZFPAHLBA-CQSZACIVSA-N	274.364	1.897	10	20	CDCD	
CC[C@@H](CO)C(=O)N(C)Cc1ccc(N(C)C)cc1	779591399	QKBVJZGYHZHMES-ZDUSSCGKSA-N	264.369	1.730	10	20	CDCD	
C[C@H]1CN(C)[C@H](C)CN1C(=O)/C=C\c1ccc(O)c(O)c1	779547415	KNBZYLLEMCRSEV-OXTPZFROSA-N	290.363	1.662	10	20	CDCD	
COCC1(NC(=O)c2ccc(C)c(O)c2O)CC1	780984338	VYLMQSRRMCONBP-UHFFFAOYSA-N	251.282	1.315	10	20	CDCD	
COc1ccc(CNC2(CCO)CCN(C)CC2)cc1C	788431539	KDCAOAGNDJSJGP-UHFFFAOYSA-N	292.423	1.940	10	20	CDCD	
C[C@H](NCc1nnn(C)n1)c1cc(Cl)ccc1O	787042643	PACHTZQQDRHKNW-ZETCQYMHSA-N	267.720	1.420	10	20	CDCD	
COc1cc(C)cc(CN[C@@]2(CCO)CCOC2)c1O	894575799	KYVAVSMLIWCSPQ-HNNXBMFYSA-N	281.352	1.340	10	20	CDCD	
CC(C)CO[C@H](C)C(=O)OCC(=O)c1ccc(O)c(O)c1	783006939	COIUZAIYEYPAMZ-SNVBAGLBSA-N	296.319	1.885	10	20	CDCD	
Oc1c(F)cc(F)cc1CN1CCOC[C@H]1c1ncon1	894428988	JWENTTKUGGOKLK-NSHDSACASA-N	297.261	1.627	10	20	CDCD	
CO[C@@H]1CN(Cc2ccc(N(C)C)c(F)c2)CCO1	895968525	PGATVYVIMVLTQX-AWEZNQCLSA-N	268.332	1.696	10	20	CDCD	
CCOC(=O)[C@@H](C)NCc1cccc(OC)c1O	49368840	NTVPVMXYEBDGET-SECBINFHSA-N	253.298	1.442	10	20	CDCD	
C=CC(=O)NCc1ccc(N2CCN3CCC[C@@H]3C2)cc1	1887504357	SSLNFRZXCOJBHL-MRXNPFEDSA-N	285.391	1.773	10	20	CDCD	
CC(C)CCN(C)C(=O)C(=O)N(C)Cc1ccccc1O	1328303041	UIDYHTSMZMUWOS-UHFFFAOYSA-N	292.379	1.855	10	20	CDCD	
CCc1cccc(CN[C@@H](C)c2nncn2C)c1O	691520529	DOFUPZMHNCMXSM-JTQLQIEISA-N	260.341	1.934	10	20	CDCD	
CC[C@@H]1COCCN1C(=O)NCc1ccc(N)cc1	1338793452	PQWLYRGPXJGPIS-CYBMUJFWSA-N	263.341	1.589	10	20	CDCD	
COc1cccc(O)c1CN1CCC[C@H](N(C)C)C1	769302236	QDPLQVOKRYXPLR-LBPRGKRZSA-N	264.369	1.927	10	20	CDCD	
CS[C@@H]1CN(C(=O)c2cccc(O)c2O)C[C@@H]1N(C)C	790903805	BGNLPCJZKAPMEX-CMPLNLGQSA-N	296.392	1.215	10	20	CDCD	
CCc1cc(C(=O)NCc2ccc(O)cc2O)nn1C	1262180186	RCLDYNHBUOGEPS-UHFFFAOYSA-N	275.308	1.324	10	20	CDCD	
CC(C)OC[C@H](NCc1ccc(N(C)C)cc1)C(=O)O	1348802655	ZHSAJJBCNTZUAQ-AWEZNQCLSA-N	280.368	1.720	10	20	CDCD	
C[C@H]1CN(C(=O)c2c(F)ccc(O)c2O)CC[C@@H]1C(=O)O	1603451376	VHAMURMUSUTHFD-YUMQZZPRSA-N	297.282	1.420	10	20	CDCD	
O=C(c1cccc(O)c1O)N1C[C@@H]2CCC[C@]2(C(=O)O)C1	1602626497	DHHSJAHDGUKFNP-VFZGTOFNSA-N	291.303	1.425	10	20	CDCD	
CN(C)c1ccc(CN2C[C@H]3COC[C@@]3(C(=O)O)C2)cc1	1604091346	YXUCOYZUJQYGSM-BBRMVZONSA-N	290.363	1.286	10	20	CDCD	
O=C(O)[C@@H]1CCCCCN1Cc1cc2c(cc1O)OCO2	1601815914	ILWVAYHGSVASDA-NSHDSACASA-N	293.319	1.950	10	20	CDCD	
CCN(CC)c1ccc(CNC[C@](C)(O)C(=O)O)cc1	1589729000	YLUDRQKTTPZPTB-HNNXBMFYSA-N	280.368	1.458	10	20	CDCD	
Oc1cc(F)c(F)cc1CN[C@@H]1CNCC12CC2	1580888488	MODGXTJUJRJYJN-GFCCVEGCSA-N	254.280	1.512	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)NC[C@H](C)C(=O)O)c1	1593883273	WIZAMLBJPRTNBA-IUCAKERBSA-N	281.308	1.550	10	20	CDCD	
CN(C)c1ccc(CN(C)c2nccnc2C(=O)O)cc1	1598317282	CUNFVJBWDRGARW-UHFFFAOYSA-N	286.335	1.877	10	20	CDCD	
C[C@@H]1C[C@@H]1[C@@H](NCc1cc([N+](=O)[O-])ccc1O)C(=O)O	1776602628	OLTJRSWVOQWRDP-INNHCVQGSA-N	280.280	1.499	10	20	CDCD	
C[C@@H](CCO)NC(=O)NCc1ccc2c(c1)CCCN2C	158103964	UOLZJKPJJWVSEO-LBPRGKRZSA-N	291.395	1.639	10	20	CDCD	
Nc1ccc(NC(=O)NCCO[C@@H]2CCOC2)cc1	926142707	LMQLSHSLUSOAJV-GFCCVEGCSA-N	265.313	1.196	10	20	CDCD	
CNS(=O)(=O)CCN[C@@H]1C[C@@H](C)c2c(C)ccc(O)c21	221109562	BRGDNWQKCXRMDC-GHMZBOCLSA-N	298.408	1.388	10	20	CDCD	
COc1cccc(CNC[C@@]2(OC)CCOC2)c1O	122879174	IBVAOBGLZRPKQM-AWEZNQCLSA-N	267.325	1.296	10	20	CDCD	
C[C@@H](N[C@H]1CC(=O)N(C)C1)c1ccc(N(C)C)cc1	268870746	UIZHOOZHMLLITG-YPMHNXCESA-N	261.369	1.634	10	20	CDCD	
COc1cccc(CN2CCSC[C@@H]2CC(=O)O)c1O	91133066	ONKBIUKWGBENJU-NSHDSACASA-N	297.376	1.793	10	20	CDCD	
COC[C@](C)(O)CN[C@@H](C)c1cc(F)ccc1O	382571319	QNGXDAMOJWJNHY-TVQRCGJNSA-N	257.305	1.579	10	20	CDCD	
COC(=O)CCN(Cc1ccccc1O)C[C@@H]1CCCO1	178692847	JLASZALZOSKQTK-AWEZNQCLSA-N	293.363	1.936	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NCCN(C)C2CC2)cc1	66887923	GIUDYZPVFYUGAF-UHFFFAOYSA-N	290.411	1.646	10	20	CDCD	
COC[C@H](O)CCN[C@@H](C)c1cc(F)ccc1O	186203520	ANBAXSPDMFCXHQ-GXSJLCMTSA-N	257.305	1.579	10	20	CDCD	
Cc1cccc(CNC[C@]2(O)CCO[C@@H]2C)c1O	228094670	PQGPFXGZAAQNJY-BXUZGUMPSA-N	251.326	1.330	10	20	CDCD	
CN1C(=O)C(=Cc2ccc(Cl)c(F)c2)C(=O)N(C)C1=O	49371785	CISSOJQHTCWCMW-UHFFFAOYSA-N	296.685	1.913	10	20	CDCD	
COc1ccc(N2CCCN(C(=O)[C@H](C)O)CC2)cc1	136553689	GXVLKGWKACDRAC-LBPRGKRZSA-N	278.352	1.115	10	20	CDCD	
COc1cc(O)c(CN(CCO)CC(F)F)cc1OC	193020607	SJZGSWCUDMMNFH-UHFFFAOYSA-N	291.294	1.469	10	20	CDCD	
C[C@H](O)CN(C)Cc1cc(Br)ccc1O	130741356	YFOAAAKZEXGATA-QMMMGPOBSA-N	274.158	1.967	10	20	CDCD	
CCN1CCCN(Cc2cc(C)ccc2O)CC1=O	191538142	FFUOHLYGRCDFGG-UHFFFAOYSA-N	262.353	1.755	10	20	CDCD	
CCOC(=O)N1CCN(C(=O)c2cccc(O)c2O)CC1	230003013	KDTAFQKLWLKJEM-UHFFFAOYSA-N	294.307	1.012	10	20	CDCD	
CCOc1cccc(CN2CCC[C@H](C(=O)NC)C2)c1O	93360784	NLBNIVUYRJPOPM-ZDUSSCGKSA-N	292.379	1.749	10	20	CDCD	
COC(=O)[C@@H](CC(F)(F)F)NCc1ccccc1O	276508821	STMZPAIMDCILDK-SECBINFHSA-N	277.242	1.976	10	20	CDCD	
Cc1ccc([C@H](C)NC[C@@]2(O)CCOC2)c(O)c1C	273524598	UYCICBBZPFLJTO-WFASDCNBSA-N	265.353	1.811	10	20	CDCD	
CC(=O)C(=O)CSc1nnc(N2CCCC2)s1	289511494	CJEQFOJSHQRVGH-UHFFFAOYSA-N	271.367	1.389	10	20	CDCD	
CCN(C)c1ccc([C@@H](C)N[C@H](CO)COC)cc1	281000316	NODALVIACUYEJO-TZMCWYRMSA-N	266.385	1.801	10	20	CDCD	
O=C(NCCN1CC=CCC1)c1c(F)ccc(O)c1O	295051317	BEIXAVWZANHVEY-UHFFFAOYSA-N	280.299	1.229	10	20	CDCD	
C[C@@H](NC(=O)c1cncn1C)c1ccc(N(C)C)cc1	809778658	UOKXRQPVZLLDIQ-LLVKDONJSA-N	272.352	1.977	10	20	CDCD	
Cc1ccc(O)c([C@H](C)NC[C@H]2CC[C@@H](CO)O2)c1	293798715	UWDLNSQQMQNXFJ-XQQFMLRXSA-N	265.353	1.891	10	20	CDCD	
NC(=O)c1ccnc(NCc2ccccc2O)c1[N+](=O)[O-]	811784696	HOFWIAODFBFGPQ-UHFFFAOYSA-N	288.263	1.406	10	20	CDCD	
O=C(Cn1cc(Cl)cn1)NCc1ccc(O)c(O)c1	813489980	GDBHZWFQUCRWKU-UHFFFAOYSA-N	281.699	1.264	10	20	CDCD	
Cc1c(C)n(C)c2ccc(OC(=O)CS(C)(=O)=O)cc12	817762129	SGPAWRGJQFLYBI-UHFFFAOYSA-N	295.360	1.745	10	20	CDCD	
COc1cc(O)c(CNCCC(C)(C)C(=O)O)cc1OC	818629054	LJMUOPOIEYVFDA-UHFFFAOYSA-N	297.351	2.000	10	20	CDCD	
CCN1C[C@H](C(=O)N[C@H](C)c2ccccc2O)CC1=O	827922853	AQWPURCLKJDDRA-GHMZBOCLSA-N	276.336	1.438	10	20	CDCD	
C[C@@H]1CN(Cc2ccc3ccccc3c2O)CC(=O)N1	824909033	HUPORUDJZPXTAR-LLVKDONJSA-N	270.332	1.866	10	20	CDCD	
Cc1nccnc1C(=O)NCc1ccc(N(C)C)c(F)c1	824669463	MBLNGHJVABVPOB-UHFFFAOYSA-N	288.326	1.920	10	20	CDCD	
COc1cccc([C@@H]2NC3(CCCC3)C(=O)N2C)c1O	731853121	CNUNPJJDOOGWOI-CYBMUJFWSA-N	276.336	1.774	10	20	CDCD	
Cn1cc(/C=C\C(=O)N2CCc3c2cccc3[N+](=O)[O-])cn1	737581872	MIKSLABAEHGJEK-WAYWQWQTSA-N	298.302	1.931	10	20	CDCD	
CCc1noc(C(=O)NCc2ccc(N3CC=CC3)cc2)n1	902637686	PRIHVUGZBKHLJM-UHFFFAOYSA-N	298.346	1.938	10	20	CDCD	
CC[C@@H]1NCC[C@H]1C(=O)NCc1ccc(OC)cc1O	832178102	NNVWCFWENQHBDM-OLZOCXBDSA-N	278.352	1.405	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2N(C)C)c(O)c1O	832495759	GKWGVHWICZAXGO-VXGBXAGGSA-N	278.352	1.619	10	20	CDCD	
C[C@H]1CCCCN1NC(=O)c1cccc(O)c1O	912146841	ZZBTVHVLPRZPSQ-VIFPVBQESA-N	250.298	1.617	10	20	CDCD	
COC(=O)N(C)CCCC(=O)NCc1ccc(O)cc1O	910954511	KTYOTJJCRIGQPT-UHFFFAOYSA-N	296.323	1.192	10	20	CDCD	
Nc1ccc(NC(=O)C(=O)N2C[C@H](C3CC3)[C@@H]2C2CC2)cc1	841142122	KKAVKWVJUJGQLQ-CABCVRRESA-N	299.374	1.854	10	20	CDCD	
Nc1ccc(CCNC(=O)NCCN=c2cc[nH]cc2)cc1	841956299	BHMGYBGIYJTEDF-UHFFFAOYSA-N	299.378	1.040	10	20	CDCD	
COc1cc(O)c(CN2CCC[C@@H](CCN)C2)cc1OC	843113632	ZPOSPSPTMPCZQB-LBPRGKRZSA-N	294.395	1.970	10	20	CDCD	
COc1c(N)ncnc1NCc1ccc(N(C)C)c(F)c1	848658864	ARIUEXNQXLMSSV-UHFFFAOYSA-N	291.330	1.885	10	20	CDCD	
C[C@H]1CN(C(=O)NCCc2ccc(N)cc2)C[C@@H](C)O1	841956667	DSKSBZMXCGNKOD-TXEJJXNPSA-N	277.368	1.630	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N1CCCCC[C@H]1CO	911960331	USXXXAQEHWZBDX-WOLRVDTOSA-N	291.347	1.875	10	20	CDCD	
CCOc1ccc(CN[C@@H](C)C(=O)NC(C)C)c(O)c1	840974277	DJAXHIBWKBSIOA-NSHDSACASA-N	280.368	1.794	10	20	CDCD	
CCOc1cccc(CN(C)[C@@H](C)CCO)c1O	846111972	SPUURJHEWWTMTA-NSHDSACASA-N	253.342	1.994	10	20	CDCD	
COCCCNC(=O)NCc1cc(Cl)ccc1O	844280600	IEMMJXWFMJGVDN-UHFFFAOYSA-N	272.732	1.881	10	20	CDCD	
COC[C@H](CN(C)c1ccc(OCC(=O)O)cc1)OC	849344375	KIDPSDICFOKPGF-ZDUSSCGKSA-N	283.324	1.248	10	20	CDCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NC[C@@H](C)O	840478762	BWOPHADHXHMGOB-CHWSQXEVSA-N	293.411	1.672	10	20	CDCD	
Cc1cccc(CN2CCS(=O)(=O)CC2(C)C)c1O	843408827	LYWZYGGYAKNBHR-UHFFFAOYSA-N	283.393	1.710	10	20	CDCD	
CN(CC(=O)NCC(C)(C)C)Cc1ccccc1O	859188971	ILVGAGDPPBMBNE-UHFFFAOYSA-N	264.369	1.986	10	20	CDCD	
COCCN(C)CCNC(=O)NCc1cc(C)ccc1O	858193365	WNBRYTNXMHGELU-UHFFFAOYSA-N	295.383	1.078	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1COC(=O)C1	923726213	IZSYOBNAWAHERZ-LBPRGKRZSA-N	291.351	1.210	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)CNC(C)C)c1	852801962	HGDDJYXIEKHWPM-SNVBAGLBSA-N	266.341	1.576	10	20	CDCD	
COc1cc(CN(C)C[C@@H]2COCCO2)c(O)cc1C	853557526	LPOGDRWXBLGAFV-CYBMUJFWSA-N	281.352	1.556	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)NCCC1CSC1	854975646	CSQVQYNZHHLOAB-RQOWECAXSA-N	279.361	1.980	10	20	CDCD	
CNC[C@@H](C)NCc1ccc(N2CCOCC2)cc1	853250507	QYBIINLNRGGHHG-CYBMUJFWSA-N	263.385	1.221	10	20	CDCD	
CC[C@@H]1C(=O)NCCCN1Cc1ccc(N(C)C)cc1	933217206	VXJBZYMYRCFYLU-OAHLLOKOSA-N	275.396	1.853	10	20	CDCD	
CC(=O)N[C@H](C(=O)N(C)c1ccc(N)cc1)C1CCCC1	877080321	HWJJROCHEXPJKB-HNNXBMFYSA-N	289.379	1.927	10	20	CDCD	
CN(Cc1ccc(N2CCC(O)CC2)cc1)C1CC(O)C1	877343831	AENWSMMTQUMBRN-UHFFFAOYSA-N	290.407	1.603	10	20	CDCD	
Nc1ccc(CCNC(=O)CCc2ccccn2)cc1	132695437	JIZJYRPYAUACEN-UHFFFAOYSA-N	269.348	1.955	10	20	CDCD	
CCN[C@H](C)C(=O)N[C@@H](C)c1cc(OC)ccc1O	876878505	FAEJKQJWWNNQJL-VHSXEESVSA-N	266.341	1.576	10	20	CDCD	
CC[C@H](NCc1nnc2c(=O)[nH]ccn12)c1ccccc1O	878363008	OAOITQKFPRBRRR-NSHDSACASA-N	299.334	1.364	10	20	CDCD	
COCc1nocc1C(=O)NCc1ccc(O)c(O)c1	1117709935	MRSABIHZGJUQIX-UHFFFAOYSA-N	278.264	1.162	10	20	CDCD	
COC(=O)[C@H]1C[C@@H](OC)CCN1Cc1ccc(C)cc1O	877165846	ROWLXCLNPJEOMP-UONOGXRCSA-N	293.363	1.853	10	20	CDCD	
O=C(NCCNCc1c(O)cccc1Cl)c1cc[nH]n1	779994744	TUXOAFLIFOLSGW-UHFFFAOYSA-N	294.742	1.288	10	20	CDCD	
C[C@@]1(NC(=O)/C=C/c2ccc(O)c(O)c2)CCCOC1	779546640	ZLBGXKNBJUQUCK-CSPWOOARSA-N	277.320	1.796	10	20	CDCD	
COC(=O)C(C)(C)N(C)Cc1cc(OC)c(OC)cc1O	775674464	CROUAXQZPZBIAL-UHFFFAOYSA-N	297.351	1.793	10	20	CDCD	
C[C@@H]1C[C@H](CNC(=O)NCc2ccc(N)cc2)CCO1	1120527426	RPIZYVNMZIDIKC-DGCLKSJQSA-N	277.368	1.883	10	20	CDCD	
COc1ccc(N2CCN(C(=O)CCCN)CC2)cc1	11805381	KJOMSCBSIXSDDL-UHFFFAOYSA-N	277.368	1.083	10	20	CDCD	
Cc1nccnc1CCNC(=O)NCc1ccc(N)cc1	1120623751	KUJIVOWMCJDIAV-UHFFFAOYSA-N	285.351	1.409	10	20	CDCD	
O=[N+]([O-])c1ccc(O)c(CNCCOC(F)(F)F)c1	788968467	XNGWZZQTUUJPLG-UHFFFAOYSA-N	280.202	1.926	10	20	CDCD	
Oc1cc(NCc2ccc(N3CCOCC3)cc2)ncn1	891967705	PHDDBHFWMZSGEO-UHFFFAOYSA-N	286.335	1.631	10	20	CDCD	
Cn1cnc(CNCc2cc(Cl)cc([N+](=O)[O-])c2O)c1	898045785	SHBMECQDENSQPT-UHFFFAOYSA-N	296.714	1.977	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NOC[C@@H]1CCOC1	788568720	CKBRSKHSVVTQNF-JRBALWBOSA-N	279.292	1.195	10	20	CDCD	
C[C@H](CS(=O)(=O)N[C@H](C)c1ccccc1O)C(=O)O	1592817129	XDJYFVAOTMENBN-RKDXNWHRSA-N	287.337	1.093	10	20	CDCD	
CCOc1ccc(CN[C@@H](C)C(=O)OC)c(O)c1	793182628	MOMXLWPLOINNPP-VIFPVBQESA-N	253.298	1.442	10	20	CDCD	
COc1cccc(O)c1CN[C@@H]1C[C@H](O)C1(C)C	778193311	ZKLDBUBTNUZFQI-OLZOCXBDSA-N	251.326	1.650	10	20	CDCD	
O=C(O)CN(Cc1ccccc1O)C(=O)CC1CCC1	1332666122	VRKWLPXBYTZWTO-UHFFFAOYSA-N	277.320	1.996	10	20	CDCD	
COc1ccc(CNC[C@](C)(CO)CC(=O)O)cc1C	1334853244	OOTCKWAJAAPXAZ-OAHLLOKOSA-N	281.352	1.567	10	20	CDCD	
CN(Cc1ccccc1O)c1nnnn1C[C@H]1CCOC1	1335421220	QLDREULZFPHYMD-LLVKDONJSA-N	289.339	1.052	10	20	CDCD	
CCO[C@H]1C[C@@H]1C(=O)NCc1cccc(O)c1O	1520510113	WQEMEXHWTMTONI-ONGXEEELSA-N	251.282	1.139	10	20	CDCD	
CCn1nncc1CN[C@@H](C)c1cc(C(=O)O)ccc1O	1605946785	FMBOGZOCVGDCPS-VIFPVBQESA-N	290.323	1.553	10	20	CDCD	
C[C@H](NCC1(C)OCCO1)c1cc(C(=O)O)ccc1O	1609778187	MUZNAHZGWBYKBH-VIFPVBQESA-N	281.308	1.504	10	20	CDCD	
CN(Cc1ccccc1O)C(=S)NCCCC(=O)O	1610123857	CMBIPSBGMWGTJH-UHFFFAOYSA-N	282.365	1.563	10	20	CDCD	
COC(=O)c1cnc(S[C@H](C)C(=O)C(=O)O)s1	1610218270	CHFASQBRNJMAFA-SCSAIBSYSA-N	275.307	1.064	10	20	CDCD	
CS[C@@H](CO)[C@@H](C)NCc1cc(F)ccc1O	226610474	ONUAIZSMICXJPS-PELKAZGASA-N	259.346	1.733	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2C[C@H]3C[C@@]3(C(=O)O)C2)c1O	1776210834	WELHVQCOQIVQPZ-MEBBXXQBSA-N	293.294	1.640	10	20	CDCD	
Nc1ccc(CCNC(=O)/C=C/C2CCOCC2)cc1	152588493	HBTVSYOIICVTCO-ZZXKWVIFSA-N	274.364	1.910	10	20	CDCD	
COc1cccc(O)c1CN1C[C@@H]2CCC[C@H](N)[C@H]2C1	843059004	BZOKWDWYVDYOCO-OBJOEFQTSA-N	276.380	1.960	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)CO[C@H]1CCCNC1	843390120	HPNRJMKQXVGKCX-ZDUSSCGKSA-N	278.352	1.119	10	20	CDCD	
Nc1ccc(CC(=O)N(CC(=O)O)C2CCC2)cc1	846757534	CUAIADBRAIQZCT-UHFFFAOYSA-N	262.309	1.277	10	20	CDCD	
COc1ccc(O)c(CN2CC[C@@](C)(C(N)=O)C2)c1	234966227	UHDWHLCTJYOKHJ-CQSZACIVSA-N	264.325	1.098	10	20	CDCD	
CN(C)CC(C)(C)CNC(=O)Cc1ccc(N)cc1	19391774	TWCIFOXAHLKSBU-UHFFFAOYSA-N	263.385	1.515	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@]2(C)CCCCN2)cc1	136195763	MNMJTQHHFWMVKO-INIZCTEOSA-N	275.396	1.901	10	20	CDCD	
C[C@@H](NCC(=O)NC1CC1)c1ccc(N(C)C)cc1	37262886	RTDRJRWXNQDDAQ-LLVKDONJSA-N	261.369	1.682	10	20	CDCD	
COc1cccc(C(=O)NCc2ccc(N)cc2)c1O	37666297	NPVIWGFNWVFPHH-UHFFFAOYSA-N	272.304	1.913	10	20	CDCD	
CCN(CC)C(=O)CN(C)C(=O)Cc1ccc(N)cc1	37818046	ASRIPWWJCKJJPH-UHFFFAOYSA-N	277.368	1.138	10	20	CDCD	
CC(C)NS(=O)(=O)N(C)Cc1ccccc1O	272156305	FEDVCZGLSDEVKH-UHFFFAOYSA-N	258.343	1.067	10	20	CDCD	
CCOC(=O)[C@@H](C)NCc1cc2c(cc1O)OCO2	42880498	YNPHXUCWJVMLTP-MRVPVSSYSA-N	267.281	1.162	10	20	CDCD	
CN1CCC(CNC(=O)Nc2ccc(N)cc2)CC1	44527024	IIFRFXBNMCHYOO-UHFFFAOYSA-N	262.357	1.732	10	20	CDCD	
COc1cccc(CNC[C@H](OC)C2CC2)c1O	292946506	IIGVDYMIDDBWAC-ZDUSSCGKSA-N	251.326	1.915	10	20	CDCD	
CC[C@@H](NC[C@@](C)(O)COC)c1ccccc1O	382563267	MQXHDOJWDCUFOA-TZMCWYRMSA-N	253.342	1.830	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NC[C@H]2CCCOC2)cc1	56346308	ZVDSOFBOSZNESJ-CQSZACIVSA-N	291.395	1.978	10	20	CDCD	
CC(C)OC[C@@H](O)CN1CCOc2cc(N(C)C)ccc21	119954734	KJPUXOVNYKLXJA-AWEZNQCLSA-N	294.395	1.737	10	20	CDCD	
CCC(CC)(NC(=O)c1ccc(C)c(O)c1O)C(N)=O	179465938	GZPYNMTVDKNHDL-UHFFFAOYSA-N	280.324	1.180	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCOC1	66895590	YQGNENSYVFXMHW-CYBMUJFWSA-N	262.353	1.748	10	20	CDCD	
CC[C@@H](NCCS(=O)(=O)NC)c1ccc(N(C)C)cc1	187178617	HPTKFPSSRUOCFD-CQSZACIVSA-N	299.440	1.343	10	20	CDCD	
CC[C@@H](COC)NC(=O)/C=C/c1ccc(O)c(O)c1	181110410	KZYBCYFXYIFVSK-ZRQQLDRUSA-N	265.309	1.652	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)Cn1ccnc1	73172393	CMFOHUDVMSDXMR-UHFFFAOYSA-N	272.352	1.608	10	20	CDCD	
O=C1CN(Cc2cc(F)ccc2O)[C@H]2CCCC[C@H]2N1	180014727	HKSYLYFYNPWFQL-OLZOCXBDSA-N	278.327	1.774	10	20	CDCD	
Nc1ccc(CC(=O)Nc2ccc3c(c2)NC(=O)CO3)cc1	237924547	FKPXNIDYGGHOJD-UHFFFAOYSA-N	297.314	1.781	10	20	CDCD	
C[C@H]1CCN(C(=O)c2cccc(O)c2O)CC[S@]1=O	277671923	WDYIYCFCLHMFTQ-ZRNGKTOUSA-N	283.349	1.081	10	20	CDCD	
CCOC1CC(O)(CNCc2cccc(OC)c2O)C1	277468523	CASCQCSACSDTJD-UHFFFAOYSA-N	281.352	1.420	10	20	CDCD	
C[C@H](CN1CCOCC1)N(C)Cc1ccc(N(C)C)cc1	271595514	GXUFQWHRVAXMKL-OAHLLOKOSA-N	291.439	1.905	10	20	CDCD	
C[C@@H]1CC(=O)NCCN1Cc1ccc(N(C)C)c(F)c1	367671083	NZVOUMIJUGZHHA-LLVKDONJSA-N	279.359	1.602	10	20	CDCD	
C[C@@H](O)[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1	272987211	MNMPPPRCLHFTGP-PEWKINPCSA-N	277.320	1.340	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@H]2CCCOCC2)c1O	278544274	XWLXMWFJCWZOKA-NSHDSACASA-N	296.323	1.968	10	20	CDCD	
Cc1ccc(C(=O)N[C@H]2CCN3CCC[C@H]3C2)c(O)c1O	378555493	DFKXDSCPCCZQRU-RYUDHWBXSA-N	290.363	1.763	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)[C@@H]1OC[C@@H]2CCC[C@@H]21	377947367	JSTIPCIIDWPIES-SLEUVZQESA-N	291.347	1.572	10	20	CDCD	
COc1cccc(CN2CCOC[C@H]2[C@@H]2CCCO2)c1O	377689450	BPXKNLXAZKTAKG-KBPBESRZSA-N	293.363	1.781	10	20	CDCD	
CO[C@H](C(=O)N1CCOc2cc(N(C)C)ccc21)C1CC1	280323965	GWYKNGJQQCBAEN-HNNXBMFYSA-N	290.363	1.903	10	20	CDCD	
O=C(NCc1ccccc1O)NC[C@@H]1CCN(C2CC2)C1	299465135	AYXBVOVEWWOQRK-LBPRGKRZSA-N	289.379	1.676	10	20	CDCD	
O=C(COC(=O)c1cccc(O)c1O)c1cscn1	805531954	JZWDUZLUIZNGLK-UHFFFAOYSA-N	279.273	1.594	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2cncn2C)c1	809666396	YCYUKOZFZWLEIV-SECBINFHSA-N	275.308	1.625	10	20	CDCD	
C[C@@H]1C[C@@H](CO)CN(Cc2cc(F)ccc2O)C1	817412028	BMKWQOQTDDGHHP-GHMZBOCLSA-N	253.317	1.982	10	20	CDCD	
COC(=O)c1ccc(O)c(/C=C2\SC(=S)NC2=O)c1	726786754	ATBHNXGNSVBCQK-UITAMQMPSA-N	295.341	1.668	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](N)CC(F)F)c1	828666695	HNWOQRLJTUOSCX-XCBNKYQSSA-N	288.294	1.561	10	20	CDCD	
COc1cccc(CNC(=O)N[C@@H]2C=CCC2)c1O	821081261	ZBJLHPBKHLSHAJ-LLVKDONJSA-N	262.309	1.919	10	20	CDCD	
Cc1cc(O)c(CNc2cncc(CO)n2)cc1C	902102640	KXVSOXMLWMIDAP-UHFFFAOYSA-N	259.309	1.903	10	20	CDCD	
O[C@H](CNc1ccccc1OCCF)C[C@]1(O)CCOC1	905338021	IHVJXEYLRWLABI-SWLSCSKDSA-N	299.342	1.349	10	20	CDCD	
NOCCCNCc1cccc(Br)c1O	904456901	MRIZQLJLHSFGQW-UHFFFAOYSA-N	275.146	1.525	10	20	CDCD	
Oc1cccc2c1[C@H](NCCNc1cnccn1)CC2	834625238	WEQKBGRMTRATAM-GFCCVEGCSA-N	270.336	1.871	10	20	CDCD	
Cc1ccc(C(=O)NC[C@H](O)C2CCC2)c(O)c1O	837113472	CHZMRNBGEFOVIK-NSHDSACASA-N	265.309	1.297	10	20	CDCD	
C[C@@H](O)CC(C)(C)CNC(=O)c1cc(O)cs1	743575042	LZFHVAPPVJVENT-MRVPVSSYSA-N	257.355	1.981	10	20	CDCD	
C[C@H]1C[C@H](CNC(=O)NCCc2ccc(N)cc2)CCO1	841870048	VNGNSLUDCPUQMJ-GXTWGEPZSA-N	291.395	1.926	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN(C)C2CCNCC2)c1O	843045897	LRHPMSCBPOZYPZ-UHFFFAOYSA-N	295.339	1.493	10	20	CDCD	
Nc1ccc(CCNCc2cnc(N3CCCC3)nc2)cc1	841037589	VZSGIJGJJOQSRN-UHFFFAOYSA-N	297.406	1.991	10	20	CDCD	
Cc1cnc(CN(C)c2ccc(OCC(=O)O)cc2)cn1	846280227	VLOZWDGRBZXHAM-UHFFFAOYSA-N	287.319	1.885	10	20	CDCD	
C[C@H]1C[C@H](NCc2cc3c(cc2O)OCO3)CCN1	841062204	SXWLWQGFWZOVHJ-GXSJLCMTSA-N	264.325	1.351	10	20	CDCD	
NCc1ccc2c(c1)CCCN2CC[C@H]1CCNC1	843350730	UEPUNUKJNZUEGI-CYBMUJFWSA-N	259.397	1.898	10	20	CDCD	
CCN(CC)c1ccc(CNC[C@H]2CNCCO2)cc1F	841098022	ABGWGTWNPNVRKP-CQSZACIVSA-N	295.402	1.750	10	20	CDCD	
CC[C@@H](C(=O)O)N(C)CCN(C)c1ccc(OC)cc1	844839683	ROFZWUYWZGXWMQ-AWEZNQCLSA-N	280.368	1.926	10	20	CDCD	
COC[C@@]1(CNCc2cc(C)ccc2O)CCCN1	841066997	HXROJUMYONXHNJ-HNNXBMFYSA-N	264.369	1.559	10	20	CDCD	
COCCN1CC[C@H](NCc2ccc3c(c2)CCCO3)C1	921710091	ITJNTLZIKFDQKF-INIZCTEOSA-N	290.407	1.822	10	20	CDCD	
CC(=O)c1cc(F)cc(CN(C)Cc2nnc(O)o2)c1O	852187953	DQQWOMQDVCIRAK-UHFFFAOYSA-N	295.270	1.455	10	20	CDCD	
COc1ccc(CN[C@@H]2CCN(C(C)=O)C2)cc1C	856809786	GZBJDGNTESBFFW-CQSZACIVSA-N	262.353	1.714	10	20	CDCD	
CC[C@H](N[C@@H](C)C(=O)N(C)OC)c1ccc(F)cc1O	858580916	ZQLJQRGBUVVGGC-CABZTGNLSA-N	284.331	1.980	10	20	CDCD	
C[C@H](CO)N(C)Cc1c(O)cccc1Br	862367868	XHAIWBXJUKADON-MRVPVSSYSA-N	274.158	1.967	10	20	CDCD	
COc1cccc(CNC(=O)[C@@H]2CCCN2C(C)C)c1O	934940143	IZVCCYZUQJLTIK-ZDUSSCGKSA-N	292.379	1.890	10	20	CDCD	
COc1cccc(CNC(=O)C2CC(OC)C2)c1O	860242071	WGGJURVZJYUZMP-UHFFFAOYSA-N	265.309	1.442	10	20	CDCD	
CN1CCCC[C@@H](CNC(=O)c2c(F)ccc(O)c2O)C1	863937377	AJZGKYLRKZGLBU-JTQLQIEISA-N	296.342	1.699	10	20	CDCD	
CN1C(=O)[C@@H]2CN(Cc3c(O)cccc3Cl)C[C@@H]2C1=O	877720317	NLBICPJYDDIAHL-DTORHVGOSA-N	294.738	1.092	10	20	CDCD	
C[C@H](NC(=O)N1CCC[C@H](O)C1)c1ccc(N(C)C)cc1	776242601	AABNCPSTORRGTD-WFASDCNBSA-N	291.395	1.980	10	20	CDCD	
CCS(=O)(=O)C[C@H](C)NCc1cc(F)cc(F)c1O	882995645	HOVOUFAFIDYWHK-QMMMGPOBSA-N	293.335	1.583	10	20	CDCD	
C[C@H](NC(=O)[C@H]1CCOC1)c1ccc(N(C)C)cc1	773018009	LATJQJDSIQCUHG-AAEUAGOBSA-N	262.353	1.966	10	20	CDCD	
Cc1ccc(CNC[C@H](O)COCC2CC2)c(O)c1	877000561	RLAPERGDXWCAIP-AWEZNQCLSA-N	265.353	1.578	10	20	CDCD	
CC(C)[C@H]1CN(Cc2cc3c(cc2O)OC[C@H]3O)CCO1	777966459	BKCRBAJMRBPTLF-GDBMZVCRSA-N	293.363	1.675	10	20	CDCD	
Cc1conc1C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1	876507003	SOXSABSPWLJQMC-CYBMUJFWSA-N	288.351	1.479	10	20	CDCD	
CCOc1ccc(CN2CC[C@H](n3cncn3)C2)c(O)c1	777222052	PWWCUKOWFLSGSX-ZDUSSCGKSA-N	288.351	1.829	10	20	CDCD	
C[C@@H]1CCN2[C@@H](C1)C(=O)N[C@H]2c1cccc(F)c1O	777901423	XIPIYTIGEFTEIT-YDEJPDAXSA-N	264.300	1.760	10	20	CDCD	
COc1cc(C)cc(CN[C@H]2C[C@H](C(=O)OC)C2)c1O	895350505	NPCSGXRYSUOYBM-UMSPYCQHSA-N	279.336	1.750	10	20	CDCD	
C[C@@]1(O)CCCN(C(=O)c2cc(O)cs2)CC1	792681634	FJYXFDUVTODZQI-GFCCVEGCSA-N	255.339	1.831	10	20	CDCD	
COc1ccc(CNC(=O)c2ccnc(F)c2)c(O)c1	794388051	NEXYCVXOTFYRKX-UHFFFAOYSA-N	276.267	1.865	10	20	CDCD	
CCCCNC(=O)CN(C)Cc1ccccc1O	109771007	PDBPPXNMOVKMKR-UHFFFAOYSA-N	250.342	1.740	10	20	CDCD	
Cc1cc(COCC(=O)N(C)Cc2ccccc2O)no1	1336405643	YFCDFQVUXAUZNY-UHFFFAOYSA-N	290.319	1.864	10	20	CDCD	
CO[C@H]1CCC[C@@H]1CNC(=O)NCc1ccc(N)cc1	1338583015	PZTSQPCLEJLIPV-OCCSQVGLSA-N	277.368	1.883	10	20	CDCD	
CCO[C@H]1CCN(C(=O)NCCc2ccc(N)cc2)C1	1262584721	JYFHHPVXKBKJIJ-AWEZNQCLSA-N	277.368	1.632	10	20	CDCD	
CS[C@H](CO)[C@H](C)N[C@@H](C)c1cc(C(=O)O)ccc1O	1607390174	QXHAMPJMSWCOCU-MWODSPESSA-N	299.392	1.853	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2cc(C(=O)O)no2)cc1	1598320450	GFBGSGQUFPVIHY-UHFFFAOYSA-N	289.291	1.369	10	20	CDCD	
CC(C)CNC(=O)CSc1ncc(C(=O)O)s1	1591370307	GAWMHKFLHMODLP-UHFFFAOYSA-N	274.367	1.706	10	20	CDCD	
CCc1cccc(CN[C@H](C(=O)O)c2ccnn2C)c1O	1597586778	KABXVBJDVLSWPN-ZDUSSCGKSA-N	289.335	1.604	10	20	CDCD	
COC[C@H](O)CCN[C@H](C)c1cc(C(=O)O)ccc1O	1599179949	YSKAHRDVGYBKIU-MWLCHTKSSA-N	283.324	1.138	10	20	CDCD	
COc1ccc(O)c(CNc2ccc(C(=O)O)nn2)c1	1777367661	BBWSAIGFXYVTMQ-UHFFFAOYSA-N	275.264	1.501	10	20	CDCD	
COC(CN[C@@H](C)c1ccc(N2CCOCC2)cc1)OC	162328268	ULDJHNQKSPHMFW-ZDUSSCGKSA-N	294.395	1.793	10	20	CDCD	
C[C@@H](NC(=O)Cc1ccc(N)cc1)[C@@H](C)N1CCOCC1	167685768	COKJNBDZOAWSER-CHWSQXEVSA-N	291.395	1.037	10	20	CDCD	
c1ncn(CCCNCc2ccc3c(c2)CCCO3)n1	921516617	RLPCJZGDYCWKPW-UHFFFAOYSA-N	272.352	1.783	10	20	CDCD	
C[C@@H]1CCCN(C(=O)Cc2ccc(N)cc2)[C@@H]1CCN	846692366	ANSPMBAVWIVGII-IUODEOHRSA-N	275.396	1.787	10	20	CDCD	
O=C1CC[C@H]2CN(Cc3cc(F)ccc3O)CCN12	226563804	DIKCFJABJCYXCR-LBPRGKRZSA-N	264.300	1.338	10	20	CDCD	
CNC(=O)CCCN[C@@H](C)c1cc(C)ccc1O	273609121	VEMZABRDCSVHRD-NSHDSACASA-N	250.342	1.877	10	20	CDCD	
C[C@H](N[C@H](C)c1ccc(N(C)C)cc1)C(=O)N(C)C	37267757	FBFQDOKRBYBIGF-NEPJUHHUSA-N	263.385	1.880	10	20	CDCD	
CCOc1cccc(CN2CCCO[C@H](CN)C2)c1O	313356746	PBRVSGHUDCCTOR-CYBMUJFWSA-N	280.368	1.341	10	20	CDCD	
CCN(CC)c1ccc(CNCCc2ncn[nH]2)cc1	80602857	PJWVVNNKUUZLGF-UHFFFAOYSA-N	273.384	1.983	10	20	CDCD	
COc1ccc(CN[C@H]2CCN(C)[C@H](C)C2)c(O)c1	90721817	CXMFOMKAMQTACE-YPMHNXCESA-N	264.369	1.973	10	20	CDCD	
CN(C)c1ccc(CNCC2([S@@](C)=O)CC2)cc1	380263200	YCUYGAFIBLGARX-GOSISDBHSA-N	266.410	1.753	10	20	CDCD	
C[C@H](O)[C@@H](C)SCC(=O)NCc1ccc(N(C)C)cc1	172955214	KKCOZKYVJZMZHU-NWDGAFQWSA-N	296.436	1.871	10	20	CDCD	
CCONC(=O)N[C@@H](C)c1cc(OC)ccc1O	171582652	FNZQKCNBYAQNQJ-QMMMGPOBSA-N	254.286	1.713	10	20	CDCD	
Cc1ccc(C(=O)NC[C@H](C)C[C@@H](C)O)c(O)c1O	179512736	LSUBQQJLDUBVKJ-PSASIEDQSA-N	267.325	1.543	10	20	CDCD	
CC[C@H]1NCC[C@@H]1C(=O)NCc1c(O)cccc1F	1344820652	BHDSMHSUNNPGQF-JOYOIKCWSA-N	266.316	1.536	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)[C@@H]1CC12CCOCC2	122907482	MTDQIMGLYQPVNS-LBPRGKRZSA-N	291.347	1.573	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CC[C@@H](N2CCCCC2)C1	126404025	BNEVFHOJQNOANC-GFCCVEGCSA-N	290.363	1.798	10	20	CDCD	
CO[C@@H]1CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1	181033197	ZMHMZWAIGDMUMM-HOSRBBHYSA-N	277.320	1.748	10	20	CDCD	
CC(=O)N1CCC(NCc2cc3c(cc2O)OCO3)CC1	42880053	HNLZVGIJEDDGNI-UHFFFAOYSA-N	292.335	1.221	10	20	CDCD	
CN(C)c1ccc(CN2CC(=O)N[C@H]3CCCC[C@@H]32)cc1	92676418	XPRLFLPZDABIMV-HOTGVXAUSA-N	287.407	1.996	10	20	CDCD	
COCCCN(CCOC)C(=O)c1ccc(C)c(O)c1O	271277999	NFMZSLUFKIHUHM-UHFFFAOYSA-N	297.351	1.531	10	20	CDCD	
C[C@@H]1CCN(Cc2cc(F)ccc2O)CC[S@@]1=O	277418870	ICHDTXOKDKNNGC-MGNBDDOMSA-N	271.357	1.874	10	20	CDCD	
COc1cccc(CNC(=O)Nc2nc(C)no2)c1O	272410571	YRWYOZKTLVZNKX-UHFFFAOYSA-N	278.268	1.414	10	20	CDCD	
C[C@@H]1OCC[C@]12CN(C(=O)c1cccc(O)c1O)CCO2	279853465	FZPDKXRHXIAQJV-BONVTDFDSA-N	293.319	1.118	10	20	CDCD	
COc1ccc(CN[C@H]2C(=O)NCC[C@H]2C)cc1C	282285958	IQALSCJJMUMXKL-QMTHXVAHSA-N	262.353	1.618	10	20	CDCD	
COC(=O)c1ccc(NCc2ccc(N(C)C)cc2)nn1	298737884	QJEISYMOSJBYKX-UHFFFAOYSA-N	286.335	1.941	10	20	CDCD	
CC(=O)C(=O)COC(=O)[C@@H]1COc2ccc(Cl)cc2C1	808491087	MBFNUJZNXMVHAD-JTQLQIEISA-N	296.706	1.592	10	20	CDCD	
COc1ccc(CNC(=O)c2cccnc2F)c(O)c1	807455109	YHDMRKSFFAAAAT-UHFFFAOYSA-N	276.267	1.865	10	20	CDCD	
C[C@H](CC(C)(C)O)NC(=O)/C=C/c1ccc(O)c(O)c1	296790598	DOLPJKDZALDQJQ-BREXMAIKSA-N	279.336	1.777	10	20	CDCD	
CC(=O)C(=O)COC(=O)Cc1ccc(C(F)(F)F)cc1	808492946	LOGMRIRNDZXZTC-UHFFFAOYSA-N	288.221	1.949	10	20	CDCD	
COC[C@](C)(CO)NCc1cc(Cl)c(F)cc1O	816563326	TYEKMEBSSMQLPU-LBPRGKRZSA-N	277.723	1.672	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2nc(C)oc2C)c1	815835028	IKURWGPAAWZSGJ-UHFFFAOYSA-N	276.292	1.936	10	20	CDCD	
CN1C[C@@H](NCc2cc(Cl)cc([N+](=O)[O-])c2O)CC1=O	726797749	WAOLSVXIWGEPJM-VIFPVBQESA-N	299.714	1.274	10	20	CDCD	
CN(C)c1ccc(CNC(=O)Cc2ncc[nH]2)cc1F	824669892	SMPYBKILGZCYQJ-UHFFFAOYSA-N	276.315	1.474	10	20	CDCD	
O=S(=O)(Nc1ccc(O)cc1)c1cnn2c1OCCC2	821119736	ZWPNASJLNGZKPE-UHFFFAOYSA-N	295.320	1.172	10	20	CDCD	
CCOc1ccc(O)c(CN2CC[C@@H](O)[C@H]2C)c1	825103983	JQXOPAUMBLVKIX-ZWNOBZJWSA-N	251.326	1.746	10	20	CDCD	
Cc1cc(O)c(CNCCN2CCC(O)CC2)cc1Cl	826090257	XDXZRLDZNATQAX-UHFFFAOYSA-N	298.814	1.900	10	20	CDCD	
CN(C)c1ccc(CN(C(=O)[C@H]2CC(=O)N2)C2CC2)cc1	821033299	OOGVIYCNJUYEOG-CQSZACIVSA-N	287.363	1.132	10	20	CDCD	
Cc1ccn(CC(=O)NCc2ccc(N(C)C)cc2)n1	822226939	NTQBFFYPWVMPBK-UHFFFAOYSA-N	272.352	1.574	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1C[C@@H](C)O[C@@H](C(=O)O)C1	901911538	XKCKLNCFGNNXIL-IUODEOHRSA-N	292.379	1.735	10	20	CDCD	
COc1cc(O)c(CN2CC[C@@H](O)[C@H]2C)cc1OC	825104023	KSFLYWPDCPEHPW-MWLCHTKSSA-N	267.325	1.365	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NC[C@H](O)C1CCC1	837113858	JQGINNKWVSTKQF-DYLGSBMWSA-N	277.320	1.388	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@@H](C)CC(=O)O	832888153	FCTLCOWIZPKJJD-NSHDSACASA-N	278.352	1.788	10	20	CDCD	
C[C@@H](NC[C@]1(C)CCC(=O)N1)c1cc(F)cc(F)c1O	834910203	VUDBCQSYVHGBLM-CLAHSXSESA-N	284.306	1.990	10	20	CDCD	
NC(=O)CC1CCN(C(=O)c2cc(O)cs2)CC1	732273074	VIFZSBDJNIDASE-UHFFFAOYSA-N	268.338	1.181	10	20	CDCD	
CCN(C(=O)/C=C\c1cnc(OC)nc1)c1cnn(C)c1	848343804	QWVMVQQNXCIYLD-WAYWQWQTSA-N	287.323	1.285	10	20	CDCD	
C[C@]1(CNC(=O)NCCc2ccc(N)cc2)CCOC1	841818897	XCUYLQQWPSKWMX-OAHLLOKOSA-N	277.368	1.537	10	20	CDCD	
CCOc1ccc(CN2CCC(N)CC2)c(O)c1	843047757	ZXSMGDPJWTZBTJ-UHFFFAOYSA-N	250.342	1.714	10	20	CDCD	
COc1ccc(N(C)CCN(C)C[C@H]2COCCO2)cc1	844402763	VPEHLPDHBPIHSM-INIZCTEOSA-N	294.395	1.479	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H](N)C(C)C)c1	841943965	RXCRAVSUONXAJF-GXFFZTMASA-N	295.383	1.744	10	20	CDCD	
COc1cccc(O)c1CNC[C@@H]1CCCNC1	841032940	KIGYVLPMZFOUCJ-LLVKDONJSA-N	250.342	1.490	10	20	CDCD	
COc1ccc(CNC(=O)N[C@@H]2COC[C@@H]2C)c(O)c1	926015558	IZUZGIIOYMBTDC-JOYOIKCWSA-N	280.324	1.235	10	20	CDCD	
CN(C)c1cc(F)c(CNCCN2CC[C@@H](O)C2)cc1F	858298671	UITFFCVTWBMJAM-GFCCVEGCSA-N	299.365	1.187	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NCCC(C)(C)O)c1	858372410	OSKABNUJUORODV-UHFFFAOYSA-N	266.341	1.661	10	20	CDCD	
CO[C@@H]1CCN(Cc2ccc(N(C)C)cc2)[C@H](C(=O)O)C1	851708260	SYMNDQQXWUTCQL-CABCVRRESA-N	292.379	1.817	10	20	CDCD	
CCN(CCN)Cc1cc(OC)c(OC)cc1O	863644402	UYPIDDBDQOVPOH-UHFFFAOYSA-N	254.330	1.190	10	20	CDCD	
CC(C)(CO)C(=O)NCc1ccc(N2CCOCC2)cc1	776338489	JWWKOVHWSVVBPF-UHFFFAOYSA-N	292.379	1.158	10	20	CDCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CC=CCC2)c1	778985436	FYZDBYPTRLXLQN-UHFFFAOYSA-N	296.348	1.166	10	20	CDCD	
CCC(=O)N[C@@H](C)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	773760894	MOIOHQVOQUSYCL-ZJUUUORDSA-N	294.351	1.060	10	20	CDCD	
CN(C(=O)[C@@H]1CCCN1c1ncccn1)c1ccc(N)cc1	877075722	FYEIPTXUVSENJA-AWEZNQCLSA-N	297.362	1.691	10	20	CDCD	
Cc1ccc(CN[C@@]2(CCO)CCOC2)c(O)c1	877481940	YBFCQAZYOVKLCE-AWEZNQCLSA-N	251.326	1.332	10	20	CDCD	
C[C@@H]1[C@@H](C)N(Cc2cc3c(cc2O)OCO3)CCN1C	775986192	POSRHYJHQFIUBI-GHMZBOCLSA-N	278.352	1.645	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@](C)(O)C(C)C)c1	771417182	LXIKEWXFNSEADV-MEBBXXQBSA-N	281.352	1.985	10	20	CDCD	
OC[C@@H](NCc1ccc2c(c1)CCO2)C1CCOCC1	782387027	QOJVKPSCCGNTFK-OAHLLOKOSA-N	277.364	1.499	10	20	CDCD	
COCC1(S(=O)(=O)Nc2ccc(O)cc2)CC1	882659220	VOSOQQQUGGSEAY-UHFFFAOYSA-N	257.311	1.313	10	20	CDCD	
Cc1ccc(C(=O)Nc2c[nH]c(C(N)=O)c2)c(O)c1O	780968729	HBHQESDTAPDDMY-UHFFFAOYSA-N	275.264	1.086	10	20	CDCD	
COCCN(CCO)c1ccc(OC)c(OC)c1	83212280	WSTPEVAUSLSAJH-UHFFFAOYSA-N	255.314	1.149	10	20	CDCD	
COc1ccc(O)c(CN[C@H](C)[C@@H]2CCOC2)c1	163297747	YCCPZARVMXMIJQ-GHMZBOCLSA-N	251.326	1.915	10	20	CDCD	
COc1ccc(CNC(=O)NCCSC)c(O)c1	792789568	LAQNOWAIFVMIMP-UHFFFAOYSA-N	270.354	1.563	10	20	CDCD	
CCCOc1ccc(CN(CC(N)=O)C(C)C)c(O)c1	133022926	VOYCOQJWACHQAI-UHFFFAOYSA-N	280.368	1.877	10	20	CDCD	
O=C(Nc1cnn(C(F)F)c1)c1cccc(O)c1O	790596181	BVFPYOGOHKESTP-UHFFFAOYSA-N	269.207	1.942	10	20	CDCD	
Cc1nnc(N(C)C(=O)c2cccc(O)c2O)s1	794019657	VVRQOGISJJEHLV-UHFFFAOYSA-N	265.294	1.534	10	20	CDCD	
CC[C@@H](C(=O)NCc1cc(OC)ccc1O)[C@@H](C)O	790070743	FYTPXJJWPFKFSO-BXKDBHETSA-N	267.325	1.424	10	20	CDCD	
COc1ccc(CNC(=O)c2cc(C)on2)c(O)c1	794372730	CRJUZLRKWIZGST-UHFFFAOYSA-N	262.265	1.627	10	20	CDCD	
CN1CCCC[C@@H]1C(=O)NCCc1ccc(O)c(O)c1	762263255	DAHPXFSTDYTZBP-GFCCVEGCSA-N	278.352	1.241	10	20	CDCD	
O=C(O)CCN(Cc1ccccc1O)C1CCOCC1	1326187294	IBUGFXINTSISFN-UHFFFAOYSA-N	279.336	1.848	10	20	CDCD	
COC1(OC)CC(CNC(=O)c2cc(O)cs2)C1	1337574089	HBWLUVZTIUMRPA-UHFFFAOYSA-N	271.338	1.583	10	20	CDCD	
Nc1ccc(CNC(=O)N2CCOCC3(CCC3)C2)cc1	1337017636	AEUXVFBCVRAYPP-UHFFFAOYSA-N	289.379	1.981	10	20	CDCD	
Cc1c(C)n(C)c2ccc(OC(=O)Cn3ncnn3)cc12	1346260268	SMPQSBYHVFLSCQ-UHFFFAOYSA-N	285.307	1.387	10	20	CDCD	
CC(C)C(=O)NCCN[C@H](C)c1cc(C(=O)O)ccc1O	1609682792	MNTMMBKHUURIDI-SNVBAGLBSA-N	294.351	1.513	10	20	CDCD	
O=C(O)CC(=O)NCc1cc(Cl)cc(Cl)c1O	1601887976	BVQVDZLHZLORFW-UHFFFAOYSA-N	278.091	1.790	10	20	CDCD	
CC(C)[C@@H](CNC(=O)Cc1ccc(O)c(O)c1)C(=O)O	1588821624	QBWVTPCLHVCZLH-SNVBAGLBSA-N	281.308	1.113	10	20	CDCD	
CN(Cc1cccnc1N)c1ccc(OCC(=O)O)cc1	1598531955	GTPVKZOLPIDAOY-UHFFFAOYSA-N	287.319	1.764	10	20	CDCD	
CCC[C@](C)(NC(=O)Cc1ccc(N)cc1)C(=O)OC	236812664	JNKYEPIOEWAXDC-HNNXBMFYSA-N	278.352	1.659	10	20	CDCD	
CN(CC(=O)NCc1ccc(N(C)C)cc1)CC(F)F	156706528	GHSCKXHQFWIWGZ-UHFFFAOYSA-N	285.338	1.566	10	20	CDCD	
CCCN1CC[C@@H](NCc2c(O)cccc2OC)C1	850394934	JGVMVWQDOWTMGK-GFCCVEGCSA-N	264.369	1.975	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCCN2CCC[C@H]2C1	126401212	NUZYQEWWPXQECD-NSHDSACASA-N	276.336	1.408	10	20	CDCD	
Cc1cccc(O)c1CN1CCC[C@H](NS(C)(=O)=O)C1	876581445	JUGKKZXNUQCSJA-LBPRGKRZSA-N	298.408	1.214	10	20	CDCD	
Cc1ccc(CNCCOC[C@@H]2CCCO2)c(O)c1	877045095	PNIJIUZFVQCZTH-AWEZNQCLSA-N	265.353	1.986	10	20	CDCD	
Cc1cccc(O)c1CN[C@H](C)CC[S@@](C)=O	877088229	DHOGUKDYUIPSMZ-PIGZYNQJSA-N	255.383	1.947	10	20	CDCD	
CC[C@@H](C)[C@@H](O)CNC(=O)Cc1ccc(N)cc1	157841426	AOARXVOLTCNTDE-MFKMUULPSA-N	250.342	1.335	10	20	CDCD	
CC[C@@H](NC[C@@H]1CN(C)CCN1C)c1ccccc1O	68801425	SEICTMSSDSEJQC-UKRRQHHQSA-N	277.412	1.679	10	20	CDCD	
CN1CCC[C@@H](NCc2cccc(Cl)c2O)C1=O	704314438	CWZCSHBNQXDKJG-LLVKDONJSA-N	268.744	1.756	10	20	CDCD	
CCOc1ccc(O)c(CN[C@]2(CO)CCOC2)c1	184192325	SBCFLFZEKKLQQW-AWEZNQCLSA-N	267.325	1.032	10	20	CDCD	
Oc1ccccc1CN1CCO[C@H]([C@H]2CCCO2)C1	245594533	IAOCGWJPJLYFRL-CABCVRRESA-N	263.337	1.772	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)[C@@H]1C[C@@]12CCOC2	363799279	SKDZKIJRHSDCAZ-XHDPSFHLSA-N	277.320	1.183	10	20	CDCD	
O=C(Nc1nncn1C1CC1)c1cccc(O)c1O	285947143	VDFYJCDJUNXVHR-UHFFFAOYSA-N	260.253	1.277	10	20	CDCD	
Cc1ccc(C(=O)N[C@H](C)CCCO)c(O)c1O	182592593	QOWKVKKWGLGUFY-SECBINFHSA-N	253.298	1.297	10	20	CDCD	
C[C@H]1CCNC(=O)[C@@H]1NCc1cccc(Cl)c1O	195008056	KZXROHMHBBWUGF-GZMMTYOYSA-N	268.744	1.660	10	20	CDCD	
Oc1ccc(F)cc1CNCCN1CCSCC1	226619638	BYBIQHAOHITYRB-UHFFFAOYSA-N	270.373	1.670	10	20	CDCD	
CC(=O)c1cc(F)cc(CN[C@@H]2C(=O)NCC[C@H]2C)c1O	193595835	OHZHRYGKFSEKJS-OQPBUACISA-N	294.326	1.348	10	20	CDCD	
CCOc1cccc(CN2CCN(C)C(=O)C2(C)C)c1O	93642615	WGEODFXPMLHQFR-UHFFFAOYSA-N	292.379	1.844	10	20	CDCD	
CCOc1cccc(CN(CCOC)[C@H](C)C(N)=O)c1O	93138106	XFZUNHMINUJZOS-LLVKDONJSA-N	296.367	1.113	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)N[C@@H](C)C(=O)N(C)C)c1	276914211	PPMFJIXLSAHBNB-ZJUUUORDSA-N	294.351	1.306	10	20	CDCD	
C[C@@]1(CNC(=O)c2c(F)ccc(O)c2O)CCCC[C@H]1O	276658067	XNXUQMSNMRGNSS-ABAIWWIYSA-N	297.326	1.908	10	20	CDCD	
CC[C@@H](O)CCNCc1ccc([N+](=O)[O-])c(OC)c1O	278542793	XTMRRWZSJNJZGU-SNVBAGLBSA-N	284.312	1.560	10	20	CDCD	
COc1ccc(O)c(CN2CC[C@@H](O)C(C)(C)C2)c1	275690333	ASASWIXMKUFZCF-CQSZACIVSA-N	265.353	1.994	10	20	CDCD	
CCCOc1ccc(CNC[C@@]2(O)CCO[C@@H]2C)c(O)c1	278575968	FEAJQRIOXLPWMG-WBMJQRKESA-N	295.379	1.811	10	20	CDCD	
Cc1ccc([C@@H](C)NCc2ncn(C)n2)c(O)c1C	273505281	QYLKLYHZWBSOAL-LLVKDONJSA-N	260.341	1.988	10	20	CDCD	
C[C@H](NC[C@@]1(O)CCO[C@H]1C)c1ccccc1O	278878954	SIVNUPWJHPUDTH-MJVIPROJSA-N	251.326	1.583	10	20	CDCD	
CC(=O)C(=O)COc1nc(-c2ccccc2Cl)no1	808021892	XEHCHEDMYOZRRS-UHFFFAOYSA-N	280.667	1.927	10	20	CDCD	
CCC1(NC(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1	296330740	SISRAHVVBGGTOD-UHFFFAOYSA-N	298.364	1.436	10	20	CDCD	
Cc1cc(CN2CCS(=O)(=O)C[C@H]2C)ccc1N(C)C	292955642	CHYUDAJFDHFILL-CYBMUJFWSA-N	296.436	1.680	10	20	CDCD	
Cc1cc(CN2C[C@H]3C[C@H]2C(=O)O3)ccc1N(C)C	295303538	VDGWDQFKYWSALT-OCCSQVGLSA-N	260.337	1.561	10	20	CDCD	
COCC[C@@H]1COCCN1Cc1ccc(N(C)C)cc1	291171649	DRINJTZKCMZFED-MRXNPFEDSA-N	278.396	1.990	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NCCN2CCC(O)CC2)c1	294775166	GHTSTOSKCVPJOS-GFCCVEGCSA-N	294.395	1.508	10	20	CDCD	
CCC(CC)(NC(=O)c1cccc(O)c1O)C(=O)OC	801546354	KGZSYWMJSULDDU-UHFFFAOYSA-N	281.308	1.559	10	20	CDCD	
NC(=O)[C@H]1CC[C@H](CNCc2cc(F)ccc2O)CC1	817411525	TXKBYYMNKRUNGW-XYPYZODXSA-N	280.343	1.913	10	20	CDCD	
C[C@@H](N)CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	1345636163	CEKXUZMZYSOZGQ-DOMZBBRYSA-N	292.427	1.209	10	20	CDCD	
COCCOC[C@H](O)CN[C@@H](C)c1ccc(N(C)C)cc1	828960316	TXIVPMHYDGSNAJ-XJKSGUPXSA-N	296.411	1.427	10	20	CDCD	
CNC(=O)C1(C(=O)NCc2ccc(N(C)C)cc2)CCC1	729966359	JSIIQZFGXFVFKA-UHFFFAOYSA-N	289.379	1.285	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@H]1CC(=O)N1	824239868	APPYKXMFUBKLQR-CYBMUJFWSA-N	289.379	1.380	10	20	CDCD	
COc1ccc(O)c(CN(C)Cc2noc(C)n2)c1	827892540	ZOLVLRHPPHVXRG-UHFFFAOYSA-N	263.297	1.724	10	20	CDCD	
C[C@H]1CN(Cc2cccc(Br)c2O)CC(=O)N1	824908666	BNCBGMSYIVNZDQ-QMMMGPOBSA-N	299.168	1.475	10	20	CDCD	
Cc1cc(O)c(CNCC(=O)N2CCOCC2)cc1Cl	825406505	UKYXPBMSIQKDDO-UHFFFAOYSA-N	298.770	1.302	10	20	CDCD	
CO[C@H]1COCC[C@H]1CNCc1cccc(C)c1O	824708449	GSPDRWWUVLIHAR-JSGCOSHPSA-N	265.353	1.842	10	20	CDCD	
O=C(O)[C@@H]1CN(C(=O)/C=C\c2cnccn2)c2ccccc21	492983912	IGJWEVGRXDZKQJ-CFHLNLSMSA-N	295.298	1.705	10	20	CDCD	
CC[C@@H]1NCC[C@@H]1C(=O)N[C@H](C)c1cc(OC)ccc1O	828666914	KAXMMYJZFFGUMP-OSMZGAPFSA-N	292.379	1.966	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CN2CCC[C@@H](F)C2)cc1	902995878	GSFTYNAFYSTMDD-CQSZACIVSA-N	293.386	1.803	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)c2cnc(C)n2C)c1	901127585	LUIRZXXZWFDQIZ-VIFPVBQESA-N	289.335	1.934	10	20	CDCD	
CCN(CC)CC(=O)N(CC(=O)O)Cc1ccccc1O	911484530	OTTMHCRHVOBRBA-UHFFFAOYSA-N	294.351	1.147	10	20	CDCD	
CN(C)c1ccc(CNC[C@]2(C)CCC(=O)N2)cc1F	835060119	JDCRROMCRCWENC-HNNXBMFYSA-N	279.359	1.650	10	20	CDCD	
COC(=O)[C@H](CNC(=O)Nc1ccc(N)cc1)CC1CC1	846309924	HFWABRATYLRMTI-NSHDSACASA-N	291.351	1.980	10	20	CDCD	
O=C1C[C@H](CNCc2ccc3c(c2)CCO3)CN1C1CC1	846075501	PLFZXYKSMNSIQF-CYBMUJFWSA-N	286.375	1.722	10	20	CDCD	
COc1ccc(N(C)C[C@H]2CCCS(=O)(=O)C2)cc1	844354829	IEENUIXOGNPGIW-GFCCVEGCSA-N	283.393	1.956	10	20	CDCD	
CN(CCCN)Cc1ccc(N2CCOCC2)c(F)c1	843050626	MRLVKGZPSXYQAP-UHFFFAOYSA-N	281.375	1.443	10	20	CDCD	
COc1cc(O)c(CN[C@@H]2CCCNC2)cc1OC	841043077	OJSFSLOYGIJZDF-LLVKDONJSA-N	266.341	1.251	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)[C@@H]1C[C@H]2CC[C@H]1O2	910951590	UOHVVPKJBRRKBL-NQBHXWOUSA-N	263.293	1.282	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N(C)[C@H](C)CN	841826164	DOJRWRLBSFSCMS-GFCCVEGCSA-N	278.400	1.550	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNCC1(S(C)(=O)=O)CC1	840940905	JSCQKVLECCTRKW-UHFFFAOYSA-N	296.436	1.728	10	20	CDCD	
C[C@H]1OCC[C@]1(C)NC(=O)NCCc1ccc(N)cc1	841960980	YPGFLKSUSDUYBP-ABAIWWIYSA-N	277.368	1.678	10	20	CDCD	
CN1CCN(Cc2c(O)ccc(Cl)c2F)[C@@H](CN)C1	843121279	BLMIRBDQEQLILC-VIFPVBQESA-N	287.766	1.259	10	20	CDCD	
CC(C)[C@@H]1C[C@H]1CNC(=O)C(=O)Nc1ccc(N)cc1	841142055	JSKIAENGIFVSRX-GWCFXTLKSA-N	275.352	1.616	10	20	CDCD	
C[C@@H](NS(=O)(=O)C1COC1)c1ccc(N(C)C)cc1	755133346	QFPXMGDBRMSTJU-SNVBAGLBSA-N	284.381	1.132	10	20	CDCD	
C[C@H](N[C@H]1CCN(C)C1)c1cc([N+](=O)[O-])ccc1O	756533467	HVZLCUYOEFBEPI-UWVGGRQHSA-N	265.313	1.655	10	20	CDCD	
C[C@@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)C[C@@]1(C)CO	856250329	IFFVNWHSALBKCY-RLEJMEQYSA-N	291.347	1.588	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)C[C@@H]1COC(=O)C1	935948241	KPYCJNZESXHOOO-JTQLQIEISA-N	298.335	1.447	10	20	CDCD	
COc1ccc(O)c(CNC(=O)CN2[C@@H](C)CC[C@H]2C)c1	769540289	LBGCCIQQNDHGMM-TXEJJXNPSA-N	292.379	1.890	10	20	CDCD	
COc1cccc(CNC(=O)C2(O)CCSCC2)c1O	765178129	SREXADJMGXTMMT-UHFFFAOYSA-N	297.376	1.275	10	20	CDCD	
CN(C(=O)c1ccc(N2CCCC2)nn1)c1ccc(N)cc1	877078068	ZORHZWAIHLMCCW-UHFFFAOYSA-N	297.362	1.936	10	20	CDCD	
CN(C(=O)C1(C(=O)NC2CC2)CC1)c1ccc(N)cc1	877078262	JXSLLJJWNNRNMB-UHFFFAOYSA-N	273.336	1.290	10	20	CDCD	
O=C(O)C1CC(NCc2cc(Cl)ccc2O)C1	874056492	VEYAWKLUTNGCJU-UHFFFAOYSA-N	255.701	1.998	10	20	CDCD	
COCC(=O)NC1CCN(Cc2cc(F)ccc2O)CC1	778999818	LAOBAGFSZNBFJE-UHFFFAOYSA-N	296.342	1.258	10	20	CDCD	
COc1cccc(C(=O)NCc2ccc(O)c(O)c2)c1O	778926052	SKZDFHUWNPAFNT-UHFFFAOYSA-N	289.287	1.742	10	20	CDCD	
COc1cccc(CNCc2cc(C(=O)O)nn2C)c1O	874042240	ZEPHMLACUNOZGM-UHFFFAOYSA-N	291.307	1.122	10	20	CDCD	
CC(C)(C)OC(=O)[C@@H]1CN(Cc2ccccc2O)CCO1	779018891	IRHIJYKMCRNWAG-AWEZNQCLSA-N	293.363	1.935	10	20	CDCD	
CCN(C)C(=O)CN[C@H](C)c1cc(F)cc(F)c1O	775586243	KFSNLUMBWHSOEX-MRVPVSSYSA-N	272.295	1.799	10	20	CDCD	
Cc1ccc(O)c(CNS(=O)(=O)C2CCC2)c1	882441502	YUIOPNGLSPOOKM-UHFFFAOYSA-N	255.339	1.673	10	20	CDCD	
CCN(CCCO)C(=O)NCc1ccc(N)cc1	1120677002	HTLWQXCOIDJFCF-UHFFFAOYSA-N	251.330	1.183	10	20	CDCD	
C[C@@H](OCC1CC1)C(=O)OCC(=O)c1ccc(O)c(O)c1	783205696	ZVOBVXNDGMKEEI-SECBINFHSA-N	294.303	1.639	10	20	CDCD	
CN(C)c1ccc(CNCc2nc(N(C)C)no2)cc1	789556996	WZHSQQKYRYCSHF-UHFFFAOYSA-N	275.356	1.491	10	20	CDCD	
COc1ccc(O)c(CN2C[C@H]3[C@@H](O)CC[C@H]3C2)c1	895781264	LKOQAMPABVSLHB-ZBINZKHDSA-N	263.337	1.604	10	20	CDCD	
CSc1cc(O)ccc1NS(=O)(=O)c1cnc[nH]1	792703458	XEXCQUQCVACAJL-UHFFFAOYSA-N	285.350	1.638	10	20	CDCD	
C[C@H]1CN(Cc2cc3c(cc2O)OCO3)C[C@H](C)S1=O	792193252	UJLVRKREZNDLSM-UWVGGRQHSA-N	297.376	1.462	10	20	CDCD	
CN(CCc1cnccn1)C(=O)c1cccc(O)c1O	790912823	VFUCTFUSRHIHIA-UHFFFAOYSA-N	273.292	1.203	10	20	CDCD	
COCCN(CCOC)Cc1cccc(OC)c1O	133416767	VGUQENZYVOXIBL-UHFFFAOYSA-N	269.341	1.496	10	20	CDCD	
CO[C@H]1CCC[C@H]1CNC(=O)c1cccc(O)c1O	790916525	TVFCJOXPTJIWFZ-CABZTGNLSA-N	265.309	1.643	10	20	CDCD	
CCC[C@@H](NCc1cc([N+](=O)[O-])ccc1O)C(=O)O	1320872571	OXWWYMAHGLIDRJ-SNVBAGLBSA-N	268.269	1.643	10	20	CDCD	
c1cc(N2CCCC2)ccc1CNC[C@H]1COCCN1	1329224374	XFEGNUYVBOVFPY-HNNXBMFYSA-N	275.396	1.365	10	20	CDCD	
Cn1cc(CCC(=O)NCc2ccc(N)cc2)cn1	1341922283	AWGCIZGXHOIFPH-UHFFFAOYSA-N	258.325	1.251	10	20	CDCD	
CS(=O)(=O)[C@@H]1CCCN(Cc2ccc(N)cc2)CC1	1352788091	BMSNHISQZPAKGD-CQSZACIVSA-N	282.409	1.668	10	20	CDCD	
CCO[C@H]1CCN(c2nnc(-c3sccc3O)n2C)C1	1350467887	BCALKTILSPTYQF-VIFPVBQESA-N	294.380	1.864	10	20	CDCD	
Cc1nnc(CN(C)c2ccc(OCC(=O)O)cc2)o1	1600794276	OXVGPZGRDYAAHB-UHFFFAOYSA-N	277.280	1.478	10	20	CDCD	
Cc1ccc(/C=C/C(=O)N2CCCn3ncc(N)c32)cn1	1579679543	UEVSEPPMJOZNLB-AATRIKPKSA-N	283.335	1.619	10	20	CDCD	
C[C@H](NCCS(=O)(=O)C1CC1)c1ccc(N(C)C)cc1	840879863	ANQDPVGKSMPDRE-LBPRGKRZSA-N	296.436	1.980	10	20	CDCD	
Cc1ccc(O)c(CNCCS(=O)(=O)C2CC2)c1	840964536	NILPKIGPJYKUFF-UHFFFAOYSA-N	269.366	1.367	10	20	CDCD	
C[C@@H](NC(=O)[C@H]1CCC(=O)NC1)c1ccccc1O	827930903	UHPNLFGVMXZRIM-ZJUUUORDSA-N	262.309	1.096	10	20	CDCD	
CN1CCC[C@@H](CNC(=O)Nc2ccc(N)cc2)C1	44539897	NRTQLYOCEHVZRV-NSHDSACASA-N	262.357	1.732	10	20	CDCD	
C[C@H](CN1CCOCC1)N[C@H](C)c1ccc(F)cc1O	62746015	OBIWBUDPMZVKNF-VXGBXAGGSA-N	282.359	1.903	10	20	CDCD	
CC1(C)CN(C(=O)c2cccc(O)c2O)CCCO1	311924419	SXGBYRDEOOXCLP-UHFFFAOYSA-N	265.309	1.739	10	20	CDCD	
CC(C)(CS(C)(=O)=O)NCc1cc(F)cc(F)c1O	708555986	RHCISEQEAPXXIL-UHFFFAOYSA-N	293.335	1.583	10	20	CDCD	
Oc1cc(Br)ccc1CN[C@H]1C[C@@H](O)C1	826099634	FPOLDNZZEPQRHO-AOOOYVTPSA-N	272.142	1.768	10	20	CDCD	
C[C@H](CN)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1	54344776	MBEWHEYPWFNRBK-CYBMUJFWSA-N	291.395	1.076	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)CN1CCCC1=O	104052490	WMAYXAGPAZJRKL-UHFFFAOYSA-N	261.369	1.764	10	20	CDCD	
C[C@@H](C(=O)NC[C@@H]1CCCO1)N(C)Cc1ccccc1O	114721376	KDJDSLSKNUFGKK-JSGCOSHPSA-N	292.379	1.508	10	20	CDCD	
O=C(NCCCSc1nccs1)c1cn[nH]c1	114375384	YXMKFMCVQNRPTA-UHFFFAOYSA-N	268.367	1.778	10	20	CDCD	
CCCN(CC(=O)N(C)C)Cc1cc2c(cc1O)OCO2	111140883	IQDBIGBMOJYFKD-UHFFFAOYSA-N	294.351	1.421	10	20	CDCD	
CCc1ccc(NC=C2C(=O)N(C)C(=O)N(C)C2=O)cc1	60861875	LRNCRSYJQVZZLL-UHFFFAOYSA-N	287.319	1.595	10	20	CDCD	
CCNC(=O)N1CCN(Cc2cc(C)ccc2O)CC1	121601328	MNVZYSZKPVDDKB-UHFFFAOYSA-N	277.368	1.548	10	20	CDCD	
COc1ccc(N(C)CC(=O)NCC2CC2)c(OC)c1	132084116	GGBGRCQNKXMBFO-UHFFFAOYSA-N	278.352	1.666	10	20	CDCD	
CCOc1cccc(CN2CC[C@H](NC)C2)c1O	128846752	CAXAILLSSZIGHV-LBPRGKRZSA-N	250.342	1.585	10	20	CDCD	
CCN(CC(=O)NC)Cc1c(O)cccc1Cl	132619091	WHKMWXUQMSPBJR-UHFFFAOYSA-N	256.733	1.614	10	20	CDCD	
O=C(NCc1cccc([N+](=O)[O-])c1)c1cccc(O)c1O	192991611	FPWMKYLSQDILIC-UHFFFAOYSA-N	288.259	1.936	10	20	CDCD	
O=C(NC1CCN(CC2CC2)CC1)c1cccc(O)c1O	192987509	IOCXGUAFNDVVIZ-UHFFFAOYSA-N	290.363	1.702	10	20	CDCD	
Cc1c(CNC(=O)c2ncn(C)n2)n(C)c2ccccc12	355297240	MDSJHSJPPCHJKJ-UHFFFAOYSA-N	283.335	1.545	10	20	CDCD	
C[C@H](CO[C@H]1CCOC1)NC(=O)NCc1ccccc1O	267875815	DGSAAVIFHUVITC-YPMHNXCESA-N	294.351	1.385	10	20	CDCD	
O=C(CCc1ccncc1)NCCc1ccc(O)c(O)c1	269235741	UPERROQJJQRLKL-UHFFFAOYSA-N	286.331	1.784	10	20	CDCD	
Cc1ccc(C(=O)N2CCC[C@]23CCOC3=O)c(O)c1O	275240859	KSXXXLMANSQASR-OAHLLOKOSA-N	291.303	1.328	10	20	CDCD	
C[C@@H](NC[C@H](O)c1cnn(C)c1)c1ccc(F)cc1O	273572763	LCNSBQIEQMDDIA-OTYXRUKQSA-N	279.315	1.649	10	20	CDCD	
CC1=S=C(C(=O)Nc2nc(-c3ccncc3)n[nH]2)C=C1	360158790	OEBVVFYCGXQNBV-UHFFFAOYSA-N	285.332	1.473	10	20	CDCD	
COC(=O)[C@@H](C)CN(C)Cc1cc(OC)c(OC)cc1O	271076288	HAWVTBXKJQWNRF-JTQLQIEISA-N	297.351	1.650	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2C[C@H](C)OC[C@@H]2C)c1O	278153814	CQCAJARDRRVSPF-UWVGGRQHSA-N	296.323	1.918	10	20	CDCD	
CN(C[C@@H]1CCOC1)C(=O)/C=C/c1ccc(O)c(O)c1	272635798	LAVXNWXQICUKHW-PYEVWLCESA-N	277.320	1.606	10	20	CDCD	
C[C@H](CO)CCCNC(=O)/C=C/c1ccc(O)c(O)c1	272626156	JQMRAAMDTGDJTF-ZRQQLDRUSA-N	279.336	1.636	10	20	CDCD	
CC(=O)C(=O)COc1ccc2c(c1)OC(=O)C[C@@H]2C	289611289	KXKYUBNIOGUDTD-QMMMGPOBSA-N	262.261	1.636	10	20	CDCD	
COc1cccc(CNC(=O)C2(OC)CCOCC2)c1O	284739899	HGXVUJISPXGGSM-UHFFFAOYSA-N	295.335	1.213	10	20	CDCD	
Cc1cc(CN2CC[C@@H](S(C)(=O)=O)C2)ccc1N(C)C	293988866	FILWWIJVKICKGR-CQSZACIVSA-N	296.436	1.680	10	20	CDCD	
COCC[C@@H]1COCCN1Cc1cccc(OC)c1O	291222618	JONDIJBWVRNLIS-CYBMUJFWSA-N	281.352	1.638	10	20	CDCD	
C[C@@H](NC1CCNCC1)c1cc([N+](=O)[O-])ccc1O	817936733	QSBZWNVXDMWZOA-SECBINFHSA-N	265.313	1.703	10	20	CDCD	
CCOc1ccc(O)c(CN2C[C@@H](C)C[C@@H](O)C2)c1	825311345	JGIRINNXAGRSDM-WCQYABFASA-N	265.353	1.994	10	20	CDCD	
Cc1ccn(CC(=O)N[C@H](C)c2ccccc2O)n1	827952200	JJLCTJVXEODFQE-LLVKDONJSA-N	259.309	1.775	10	20	CDCD	
Cc1nnc(N(C)Cc2ccc(N3CCOCC3)cc2)o1	735925838	VMHNOPLEWYPGEZ-UHFFFAOYSA-N	288.351	1.851	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N[C@H]1CCC[C@H]1CO	837087555	FQNANKATESVQAE-RAUBUVQISA-N	277.320	1.388	10	20	CDCD	
COc1ccc(CNC(=O)[C@@H]2CCC[C@@H](N)C2)c(O)c1	832178395	QFQUSDMBHAHYEJ-ZYHUDNBSSA-N	278.352	1.535	10	20	CDCD	
CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)c1cc(O)cs1	741292636	FHNAYOJQISQCCO-GDPRMGEGSA-N	267.350	1.997	10	20	CDCD	
Cc1nn(C)cc1C1=NO[C@@H](C(=O)Nc2ccc(N)cc2)C1	911661263	SMLKROCLNGVQBI-CQSZACIVSA-N	299.334	1.442	10	20	CDCD	
COc1ccc(N(Cc2nnnn2C)CC(C)C)cc1	749906494	INTNHDHXWKUERY-UHFFFAOYSA-N	275.356	1.881	10	20	CDCD	
COc1cccc(O)c1CNC[C@@H]1C[C@H](F)CN1	841080754	YQIPOFRLBUEPCQ-UWVGGRQHSA-N	254.305	1.190	10	20	CDCD	
Cc1cc(CNC[C@@H](N)c2ccc(N(C)C)cc2)nn1C	841042773	NXIJQFKJVVYARS-MRXNPFEDSA-N	287.411	1.584	10	20	CDCD	
COc1ccc(O)c(CNC[C@@H](C(=O)O)C(C)C)c1	848639745	KRWJHHPWRTXABX-GFCCVEGCSA-N	267.325	1.847	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)NCC(C)(C)N)c1	841951128	RKEPVHRDRCVDRE-SECBINFHSA-N	281.356	1.498	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN[C@H](CO)CCF	846096410	HMACNOFPGZSFBU-ZDUSSCGKSA-N	254.349	1.871	10	20	CDCD	
CCS(=O)(=O)C1CN(Cc2ccc(N(C)C)cc2)C1	841886113	KUEYOYQURMXGMJ-UHFFFAOYSA-N	282.409	1.372	10	20	CDCD	
CN(C)CC1CN(C(=O)/C=C\c2ccc(O)c(O)c2)C1	854725068	YMLICWPONJCYAF-XQRVVYSFSA-N	276.336	1.131	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)NCCOCCF	856473165	LPEZNSCCEOZDFG-RQOWECAXSA-N	269.272	1.213	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@]2(N)CC2(F)F)cc1F	867943150	NEDDARHNGOJBDI-LBPRGKRZSA-N	287.285	1.244	10	20	CDCD	
CN1CCC(CCO)(NCc2c(O)cccc2Cl)CC1	765920052	BXPULUCNIYVPSV-UHFFFAOYSA-N	298.814	1.982	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NCCCn2ccnc2)c1	864396308	IGDRUJCCIFEVJI-UHFFFAOYSA-N	288.351	1.787	10	20	CDCD	
Cc1ccc(C(=O)NCCC2(C)OCCO2)c(O)c1O	760108189	FEOFZPRMUQFCAQ-UHFFFAOYSA-N	281.308	1.289	10	20	CDCD	
CC(C)CN(CC(N)=O)Cc1cc(F)c(N(C)C)cc1F	862222828	KKPCRUPENVRFLT-UHFFFAOYSA-N	299.365	1.974	10	20	CDCD	
CCc1c(C(=O)NCc2cc(C)ccc2O)cnn1C	862759595	GVWJXKQJFCBPHX-UHFFFAOYSA-N	273.336	1.927	10	20	CDCD	
COC(=O)[C@@H]1C[C@@H](O)CN1Cc1ccc(N(C)C)cc1C	1117944937	NDGNBHHHPWZWEO-CABCVRRESA-N	292.379	1.169	10	20	CDCD	
CN1CCN(Cc2ccc(N3CCC(O)CC3)cc2)CC1	876509168	BEAITXCNICUSON-UHFFFAOYSA-N	289.423	1.395	10	20	CDCD	
CCn1cc(S(=O)(=O)Nc2ccc(O)cc2)cn1	776746012	SXJNIBJNBPYAIQ-UHFFFAOYSA-N	267.310	1.409	10	20	CDCD	
COc1ccc(O)c(CN[C@H]2CCCNC(=O)C2)c1	877036006	LZOFQIXKZXJNAI-NSHDSACASA-N	264.325	1.159	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)C(=O)NCc1ccco1	1116960611	DMSUCSSMTFSUGU-UHFFFAOYSA-N	288.303	1.260	10	20	CDCD	
CN(C(=O)c1cnc2n1CCC2)c1ccc(N)cc1	877074321	GWMMWGVWUXHDBU-UHFFFAOYSA-N	256.309	1.688	10	20	CDCD	
CN1CCN(c2ccc(CNC(=O)C(C)(C)F)cc2)CC1	881852577	WKSDRXSXOYBBSS-UHFFFAOYSA-N	293.386	1.803	10	20	CDCD	
Nc1ccc(NC(=O)C(=O)NC[C@@H]2C=CCC2)cc1	883613424	BKSPFRWKQVSSKZ-SNVBAGLBSA-N	259.309	1.290	10	20	CDCD	
CN(CCCF)C(=O)C(=O)NCc1ccc(N(C)C)cc1	897362023	YOIHKQUZEGMMSN-UHFFFAOYSA-N	295.358	1.187	10	20	CDCD	
CNC(=O)CCN(C)Cc1cc(C)cc(OC)c1O	893998646	LOGBRAVFACPSQO-UHFFFAOYSA-N	266.341	1.277	10	20	CDCD	
Cc1ccc(C(=O)N2C[C@@H](C)S(=O)[C@H](C)C2)c(O)c1O	791176161	ICFVSVJWKXAFOP-NXEZZACHSA-N	297.376	1.388	10	20	CDCD	
COc1ccc(CNC(=O)c2cccnc2)c(O)c1	794378114	COBUPYRQIXYSKV-UHFFFAOYSA-N	258.277	1.726	10	20	CDCD	
CN(C)c1ccc(NC(=O)c2cccc(O)c2O)nc1	187039957	FUTAEYLDMYONQW-UHFFFAOYSA-N	273.292	1.811	10	20	CDCD	
CN(Cc1c(O)ccc(Cl)c1F)[C@@H]1CCNC1=O	792173204	UWQGCMBPAHJLJN-SECBINFHSA-N	272.707	1.505	10	20	CDCD	
COc1ccc(CNC(=O)C2(N(C)C)CCC2)c(O)c1	794378843	WVVMKWFALHIDSL-UHFFFAOYSA-N	278.352	1.501	10	20	CDCD	
COc1cccc(CNCCN2CC[C@H](C)C2)c1O	744449120	AQCUFXIKNBTRRT-LBPRGKRZSA-N	264.369	1.832	10	20	CDCD	
C[C@@H](CN1CCOCC1)N[C@H](C)c1cc(F)ccc1O	94617175	WNLOJQUVGCCFKQ-NWDGAFQWSA-N	282.359	1.903	10	20	CDCD	
CC[C@H](CNC(=O)NCc1ccc(N)cc1)OC	1335525742	OVWHPOYWSXVNLH-GFCCVEGCSA-N	251.330	1.493	10	20	CDCD	
C[C@]1(C(N)=O)CCN(Cc2ccc(N3CCCC3)cc2)C1	1256340602	SVVWJQPRFWAXQM-KRWDZBQOSA-N	287.407	1.984	10	20	CDCD	
CCc1cc(CNC(=O)NCc2ccc(N)cc2)on1	1335687254	PMWSXRRQROBJCD-UHFFFAOYSA-N	274.324	1.819	10	20	CDCD	
CCc1cc(CNC(=O)NCc2ccc(N)cc2)n[nH]1	1357208643	AXOIKKISDSOZDJ-UHFFFAOYSA-N	273.340	1.554	10	20	CDCD	
O=C(O)CC1(COC(=O)/C=C\c2ccc(O)c(O)c2)CC1	1608680425	BFMDPVDCKFWCKK-RQOWECAXSA-N	292.287	1.909	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NCC2(C(=O)O)CC2)c1	1607276938	FYLMHRDFLMIWJL-SECBINFHSA-N	265.309	1.916	10	20	CDCD	
COc1ccc(O)c(CNC[C@@]2(O)CCO[C@@H]2C)c1	228094426	JRSQOWXFMCJNRA-YGRLFVJLSA-N	267.325	1.030	10	20	CDCD	
Oc1cc(Cl)ccc1CNC[C@@H]1COCCN1	1580888748	XWIHNIWIDBYOBY-LLVKDONJSA-N	256.733	1.124	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C1(C(=O)O)CCC1	1589078818	BPYNMLZKHVCFCK-VIFPVBQESA-N	293.319	1.400	10	20	CDCD	
CC[C@](C)(CC(=O)O)NC(=O)Cc1ccc(O)c(O)c1	1594821213	QXRPMAVSVMOKOP-CQSZACIVSA-N	281.308	1.400	10	20	CDCD	
CC(C)OC[C@@H](C(=O)O)N(C)C(=O)c1cc(O)cs1	1591710250	WUYSHSQFZMXMIB-VIFPVBQESA-N	287.337	1.404	10	20	CDCD	
CON(C(=O)c1ccc(C)c(O)c1O)[C@@H](C)CC(=O)O	1599311836	OVRLTPFSKQKDMK-QMMMGPOBSA-N	283.280	1.273	10	20	CDCD	
CCc1cccc(CNCC2(C(=O)O)CCOCC2)c1O	1593642442	NWWYHRIVTACXCQ-UHFFFAOYSA-N	293.363	1.926	10	20	CDCD	
CCNC(=O)NC(=O)CN(C)c1ccc(OCC)cc1	150728269	FCDCWNHHYCKROU-UHFFFAOYSA-N	279.340	1.367	10	20	CDCD	
COC[C@H](CO)NCc1ccc(N2CCCCC2)cc1	234801252	WGZWVZVAKOLAQQ-HNNXBMFYSA-N	278.396	1.774	10	20	CDCD	
c1cc(CNCc2ccc(N3CCOCC3)cc2)n[nH]1	41014676	AUBJYDDGLIIKSY-UHFFFAOYSA-N	272.352	1.536	10	20	CDCD	
COCCNCc1ccc(N2CCN(C)CC2)c(F)c1	58115118	LCEPLPZWHSFDIP-UHFFFAOYSA-N	281.375	1.314	10	20	CDCD	
C[C@H](N(C)C(=O)c1cccc(O)c1O)C(C)(C)O	296756520	CKCMOPJCECHUHB-QMMMGPOBSA-N	253.298	1.329	10	20	CDCD	
CC[C@H](CNCc1cc2c(cc1O)OCO2)OC	310862616	RVZCHUAAJYFUFS-SNVBAGLBSA-N	253.298	1.636	10	20	CDCD	
CN1CC[C@@H]1CNCc1ccc(N2CCOCC2)cc1	712547825	JKTUUVMYOKUORH-MRXNPFEDSA-N	275.396	1.317	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2C[C@@H](O)[C@H](C)C2)c1O	388089430	CRWJOQMZBQSRKT-AMIZOPFISA-N	267.300	1.547	10	20	CDCD	
CCN1C[C@H](NCc2cc(OC)ccc2O)CC1=O	391564272	YOQPSQYZSQQAFX-LLVKDONJSA-N	264.325	1.111	10	20	CDCD	
C[C@@H](N[C@@H]1CC(=O)N(C2CC2)C1)c1ccc(F)cc1O	186088455	HBJGEBBCUWHCNW-MWLCHTKSSA-N	278.327	1.945	10	20	CDCD	
CCN(C)C(=O)[C@H](C)NCc1cccc(C)c1O	188490818	HSNFBXVHNPOTGI-NSHDSACASA-N	250.342	1.657	10	20	CDCD	
COc1cc(N(C)C[C@@H](C)C(=O)O)c([N+](=O)[O-])cc1OC	213806194	IWEPMMSAKKCKEG-MRVPVSSYSA-N	298.295	1.769	10	20	CDCD	
COc1cccc(CNC(=O)N[C@@H]2CCCOCC2)c1O	181772627	DBTWNCNQEDAVCL-GFCCVEGCSA-N	294.351	1.769	10	20	CDCD	
CN(C)c1ccc(CNC(=O)Cc2ccn(C)n2)cc1	180845501	PDKPNPBHVIATJP-UHFFFAOYSA-N	272.352	1.345	10	20	CDCD	
C[C@H](NC[C@@H](C)N1CCN(C)CC1)c1ccccc1O	183496234	GBZVBGLZJFEGNF-KGLIPLIRSA-N	277.412	1.679	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)Nc1ccncn1	190698721	KXODUMUQMZNJLT-UHFFFAOYSA-N	258.281	1.846	10	20	CDCD	
CN(C)c1ccc(CN2CCC[C@H](CC(N)=O)C2)cc1	93808364	GAJTVGBZTLADLT-CQSZACIVSA-N	275.396	1.840	10	20	CDCD	
CO[C@H]1CN(Cc2cccc(C)c2O)C[C@H]1OC	234880504	RFOKSEHFIXBDGV-BETUJISGSA-N	251.326	1.546	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(C)(C)CN	237056286	HPJSHDRVDKNKOE-UHFFFAOYSA-N	263.385	1.662	10	20	CDCD	
Cc1nn(C)c(NCCc2ccc(O)c(O)c2)c1[N+](=O)[O-]	267211749	BQGYHIDPFXYKGJ-UHFFFAOYSA-N	292.295	1.703	10	20	CDCD	
CC(=O)c1cc(F)cc(CN(C)[C@H](C)C(=O)O)c1O	269299474	PRGQKMKXFKOQPU-SSDOTTSWSA-N	269.272	1.639	10	20	CDCD	
CCOCCC(=O)NCc1ccc(N(C)C)cc1	263981311	JFXAXNAGNJEWQQ-UHFFFAOYSA-N	250.342	1.795	10	20	CDCD	
COc1cccc(CN2CCC3(CC2)CNC(=O)C3)c1O	271190839	PCYYVIPWMGJLRQ-UHFFFAOYSA-N	290.363	1.503	10	20	CDCD	
Cc1ccc([C@@H](C)NC[C@@H]2CN(C)CCN2C)c(O)c1C	273612174	WLIINLVSXIQXIO-HUUCEWRRSA-N	291.439	1.905	10	20	CDCD	
C[C@H](OC[C@H]1CCCO1)C(=O)NCc1ccccc1O	299617476	YUYCXOAAROCWPJ-WCQYABFASA-N	279.336	1.593	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@@H](C)CN)c1	817970131	MFTOTLTXEMLUPW-IUCAKERBSA-N	252.314	1.177	10	20	CDCD	
COc1ccc(O)c(CN2C[C@@H](CO)C[C@@H](C)C2)c1	817413269	VKJSBPCBLQYBAY-NEPJUHHUSA-N	265.353	1.851	10	20	CDCD	
CO[C@H](C)[C@@H](C)N1C(=O)CN(Cc2ccccc2O)C1=O	819168748	CLJOVRWEXQAPQW-GHMZBOCLSA-N	292.335	1.580	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)NC[C@@H]2CCCN2)c1	817952617	RWIMDHOHGIXWFU-JQWIXIFHSA-N	278.352	1.581	10	20	CDCD	
CNC(=O)C[C@@H](C)NCc1cc(Cl)c(C)cc1O	826084111	UBWCHISIVFLKMG-SECBINFHSA-N	270.760	1.968	10	20	CDCD	
COC(=O)[C@H]1COCCN1Cc1cc(Cl)c(C)cc1O	824790603	ZQITYFZSNMRLKX-GFCCVEGCSA-N	299.754	1.728	10	20	CDCD	
COc1ccc(O)c(CNC(=O)Cn2ccc(C)n2)c1	825839048	KAMBIDQXQNECPZ-UHFFFAOYSA-N	275.308	1.222	10	20	CDCD	
C[C@H]1C[C@H](C)N(Cc2cc(O)n3ncc(C(=O)O)c3n2)C1	737745674	WYRWYGDKWJZCRJ-IUCAKERBSA-N	290.323	1.363	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N1CC[C@H](CCCO)C1	837190587	CPJSVKRFTLWKLL-AGLBCWCQSA-N	291.347	1.732	10	20	CDCD	
COc1ccc(CNC(=O)NC(CF)CF)c(O)c1	836529559	JYSWVGXWDXKJFG-UHFFFAOYSA-N	274.267	1.508	10	20	CDCD	
COC(=O)Cc1csc(NC(=O)c2cc(O)cs2)n1	731869629	UNWXALKDPNCEFU-UHFFFAOYSA-N	298.345	1.878	10	20	CDCD	
CCCCOCC(=O)NC[C@H](N)c1ccc(N(C)C)cc1	832273019	LJFFDUJPHXDUOR-HNNXBMFYSA-N	293.411	1.685	10	20	CDCD	
CCC[C@](C)(N)C(=O)NCc1ccc(OC)cc1O	832178049	LPGQHQPXOCRZCD-AWEZNQCLSA-N	266.341	1.535	10	20	CDCD	
CON1CCC(N(C)Cc2ccccc2O)CC1	835076816	VYZWQYAQQIGXRP-UHFFFAOYSA-N	250.342	1.850	10	20	CDCD	
Oc1c(F)cccc1CN1CC[C@H]2NCC[C@H]2C1	843127492	RRFQFIXYBNAJFS-GXFFZTMASA-N	250.317	1.715	10	20	CDCD	
C[C@H]1COCC[C@H]1CNC(=O)NCCc1ccc(N)cc1	841903609	YLGLFGHZYIBKTI-JSGCOSHPSA-N	291.395	1.783	10	20	CDCD	
O=C(CN1CCCNC1=O)NCc1cc(Cl)ccc1O	846473149	PLFNHCDVJAKKPV-UHFFFAOYSA-N	297.742	1.077	10	20	CDCD	
Cc1ccc(C(=O)N2CC[C@H](C3OCCO3)C2)c(O)c1O	927994869	HVGRSHVPPJZLDF-JTQLQIEISA-N	293.319	1.241	10	20	CDCD	
CO[C@@H](CNC(=O)NCc1cc(C)ccc1O)C1CC1	858492847	VTCPNTXLYSDLNP-AWEZNQCLSA-N	278.352	1.925	10	20	CDCD	
O=C1C[C@H](C(=O)NCc2cc(Cl)cc(Cl)c2O)N1	854473764	CYZGPHMATJIHOS-MRVPVSSYSA-N	289.118	1.204	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCS[C@H]2COCC[C@@H]21	768374663	KONFBDAYVUUPGJ-ONGXEEELSA-N	285.390	1.800	10	20	CDCD	
CCNC(=O)CN(CC)Cc1c(C)cccc1O	876544937	CFSPTRSVFZSBDG-UHFFFAOYSA-N	250.342	1.659	10	20	CDCD	
Cc1cccc(O)c1CN1CCN2C(=O)OC[C@H]2C1	876762907	BOKFMKRDPQDLTI-LLVKDONJSA-N	262.309	1.337	10	20	CDCD	
CCN(Cc1cc2c(cc1O)OC[C@@H]2O)C[C@@H]1CCCO1	768441725	GYOTXGOUFBNGBZ-WFASDCNBSA-N	293.363	1.819	10	20	CDCD	
Cc1ccc(CN2CCC[C@@]23CCOC3=O)c(O)c1	877433646	GQRHWHTYOXEAOP-HNNXBMFYSA-N	261.321	1.982	10	20	CDCD	
COC[C@H](C)NCc1ccc(N2CCN(C)CC2)cc1	775805868	UXUAHXBNWUFIMV-AWEZNQCLSA-N	277.412	1.563	10	20	CDCD	
C[C@@H](CN[C@H](C)c1c(O)cccc1F)S(C)(=O)=O	886555338	PVQDDSZDQQUZJT-DTWKUNHWSA-N	275.345	1.615	10	20	CDCD	
COCCOC(=O)NCc1ccc(N(C)C)cc1C	885014948	QHNWZLFRTQYFDW-UHFFFAOYSA-N	266.341	1.934	10	20	CDCD	
COc1ccc(CNCCN2CC[C@H](C)C2)c(O)c1OC	893355224	VMQPIJHIJUEVTH-LBPRGKRZSA-N	294.395	1.841	10	20	CDCD	
COc1cc(C)cc(CNC[C@]2(O)CCO[C@H]2C)c1O	894595322	OHMJOLYWGLUMEX-XHDPSFHLSA-N	281.352	1.339	10	20	CDCD	
COc1cc(C)cc(CN(C)CCOCCO)c1O	894671341	FIPUGPFZXNJGFI-UHFFFAOYSA-N	269.341	1.150	10	20	CDCD	
Cc1ccc(C(=O)NC[C@@]2(C)CCOC2)c(O)c1O	780939313	PXTIWAHQMHZDEV-CQSZACIVSA-N	265.309	1.563	10	20	CDCD	
CO[C@H](C)CCC(=O)OCC(=O)c1ccc(O)c(O)c1	784647597	SEFJLEICKIWTLJ-SECBINFHSA-N	282.292	1.639	10	20	CDCD	
COc1cccc(O)c1CN1CC[C@@H]([C@H](C)O)C1	780787247	TWOHPQDKDGQOPD-WDEREUQCSA-N	251.326	1.604	10	20	CDCD	
COc1cccc(O)c1CN[C@@H](CO)C[C@H]1CCCO1	886229904	XNRJZFOBIMKMAK-VXGBXAGGSA-N	281.352	1.420	10	20	CDCD	
CCO[C@@H]1COC[C@H]1NCc1ccc(OC)c(OC)c1O	894774311	RHPDIZPYGFZHDW-DGCLKSJQSA-N	297.351	1.303	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)c2cnnn2C)c1	798980069	CNRSKKXMJNPYLX-QMMMGPOBSA-N	276.296	1.020	10	20	CDCD	
Cc1ccc([C@H](C)NCCC(=O)N(C)C)c(O)c1	37751748	FADWSUIZFSOGRS-NSHDSACASA-N	250.342	1.830	10	20	CDCD	
C[C@@H]1CCN(C(=O)NCc2ccc(N)cc2)[C@@H]1CO	1335738261	YALCHWFAGJZLOW-ZWNOBZJWSA-N	263.341	1.181	10	20	CDCD	
C[C@H](CNCc1c(O)cccc1Br)C(=O)O	1330273307	CKICZPIWBASOHA-SSDOTTSWSA-N	288.141	1.965	10	20	CDCD	
C[C@@H]1NCCN(C(=O)NCc2ccc(N)cc2)[C@H]1C	1337070858	YHOWLGVGKILBPY-QWRGUYRKSA-N	262.357	1.161	10	20	CDCD	
COc1ccc(CNCC2(CO)CC2)c(O)c1OC	1333694344	XMJIAOFHAXEEHX-UHFFFAOYSA-N	267.325	1.272	10	20	CDCD	
O=C(CSC1CC1)NCc1cccc(O)c1O	1349078791	JPBUBOCQZWUNHQ-UHFFFAOYSA-N	253.323	1.610	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)C(=O)NCCC1CCC1	1352107125	ZJKQBBQOQMYTBP-UHFFFAOYSA-N	290.363	1.657	10	20	CDCD	
CC(C)c1ccc(O)c(CN2CCO[C@@H](C(=O)O)C2)c1	1604003025	WCVYHTNUWHPALU-CQSZACIVSA-N	279.336	1.801	10	20	CDCD	
COC[C@@H](NCc1cc(Cl)cc(Cl)c1O)C(=O)O	1610251709	XIYJQOFRFJUYLM-SECBINFHSA-N	294.134	1.888	10	20	CDCD	
CC(C)c1cc(C(=O)NCc2cccc(O)c2O)n[nH]1	1548790895	TXLXPRLLAIEBCH-UHFFFAOYSA-N	275.308	1.874	10	20	CDCD	
Cc1ccc(C(=O)N2C[C@@H](C(=O)O)C[C@@H](C)C2)c(O)c1O	1594344729	NKUKUVCGHDRHDF-SCZZXKLOSA-N	293.319	1.589	10	20	CDCD	
CC(C)CC(=O)N1CCN(Cc2ccc(N)cc2)CC1	19680440	IXSDQPARILXIER-UHFFFAOYSA-N	275.396	1.959	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2cccc3nn[nH]c23)c1	163619167	VJJDXQVXQJEUGN-UHFFFAOYSA-N	298.302	1.602	10	20	CDCD	
Cc1n[nH]c(C)c1CCNC(=O)c1cccc(O)c1O	854867333	JBFIVDLNBHLMLV-UHFFFAOYSA-N	275.308	1.410	10	20	CDCD	
Oc1cc2c(cc1CNC[C@H]1CCCOC1)OCO2	42880300	PMPWPKAMRDFHCZ-SNVBAGLBSA-N	265.309	1.637	10	20	CDCD	
C[C@H](NCC1(S(C)(=O)=O)CC1)c1ccc(F)cc1O	281232170	UUUSUXCWSMXJKS-VIFPVBQESA-N	287.356	1.759	10	20	CDCD	
CC[C@@H](NCCN1CCC(O)CC1)c1ccccc1O	294827698	LDNXGTYVULXMJG-OAHLLOKOSA-N	278.396	1.890	10	20	CDCD	
C[S@@](=O)CCNCc1c(O)ccc(Cl)c1F	309716949	UGDOCMDDVMXCHG-MRXNPFEDSA-N	265.737	1.653	10	20	CDCD	
O=C(NCc1cccc(O)c1O)c1onc2c1CCCC2	1347543267	ZRMOVXRHROXKGT-UHFFFAOYSA-N	288.303	1.895	10	20	CDCD	
C[C@@H](NCCO)c1cc(Br)ccc1O	134835101	AXESBTRPYHTBQV-SSDOTTSWSA-N	260.131	1.798	10	20	CDCD	
CCN(CC)C(=O)CN[C@H](C)c1ccccc1O	135720057	BNIIWMBFZVHVMG-LLVKDONJSA-N	250.342	1.911	10	20	CDCD	
O=C(NCc1cccc(O)c1O)C1(C(=O)C2CC2)CC1	1263894834	XDRLGXREJTXMLG-UHFFFAOYSA-N	275.304	1.473	10	20	CDCD	
COCCCN(CCO)Cc1cccc(C)c1O	188936611	UFKOZMZBUKPMOZ-UHFFFAOYSA-N	253.342	1.531	10	20	CDCD	
COc1ccc(N2CCN(C(=O)c3cocn3)CC2)cc1	74695477	XATHXCJGGZMEQE-UHFFFAOYSA-N	287.319	1.646	10	20	CDCD	
CN1CCC(NC(=O)NCc2ccc(N(C)C)cc2)CC1	31727513	HHKHMYGDAWGDGQ-UHFFFAOYSA-N	290.411	1.646	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N[C@H]1CCCOCC1	181319565	COASPXCOLBLDPQ-FUEXJSSKSA-N	277.320	1.796	10	20	CDCD	
COc1cc(O)c(CN2CC[C@H](O)[C@@H](C)C2)cc1OC	190045957	MHJGXWXKKDRSNZ-JQWIXIFHSA-N	281.352	1.612	10	20	CDCD	
C[C@H]1CN(Cc2cc(Br)ccc2O)CCN1	92454718	CCQVXRKMTMCGHL-VIFPVBQESA-N	285.185	1.948	10	20	CDCD	
Cc1c(C)n(C)c2ccc(OCc3nc(=N)[nH]c(=N)[nH]3)cc12	519377238	XEPDBTGZKHJWPB-UHFFFAOYSA-N	298.350	1.384	10	20	CDCD	
O=S1(=O)CCC[C@H](CNCc2ccc3c(c2)CCO3)C1	289941627	BDYIIGKOESCJJB-CYBMUJFWSA-N	295.404	1.536	10	20	CDCD	
CCCNS(=O)(=O)NCc1ccc(N(C)C)cc1	292861217	DDVOWKKXJGCLNA-UHFFFAOYSA-N	271.386	1.087	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2N)cc1	250350775	JHDKVKDUWWZHCA-DARAHFNDSA-N	287.407	1.742	10	20	CDCD	
Cc1ccc(C(=O)N(C)CCCCCO)c(O)c1O	279629025	YYMZJRQYUOSJSE-UHFFFAOYSA-N	267.325	1.641	10	20	CDCD	
CCOC(=O)[C@](C)(O)CN(C)c1ccc2c(c1)OCO2	274168351	GQKHBCRVVNGEGG-CQSZACIVSA-N	281.308	1.166	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)C1CSC1	631563096	RNEIROKMMXVLCO-UHFFFAOYSA-N	278.377	1.841	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@H](O)C(C)C)c1	802781890	IEWNDOYCTVJVFL-TVQRCGJNSA-N	267.325	1.595	10	20	CDCD	
CCN(CC(=O)N(C)C)Cc1ccc(N(C)C)c(C)c1	815015505	LKUWFQBSLHSMQI-UHFFFAOYSA-N	277.412	1.971	10	20	CDCD	
C[C@@H]1C[C@@H](CO)CN(C(=O)c2c(F)ccc(O)c2O)C1	817766810	RQFVGKJGIBVDTB-RKDXNWHRSA-N	283.299	1.327	10	20	CDCD	
C[C@@H](NCC(=O)N1CCNCC1)c1cc(Cl)ccc1O	817945558	GGDBKAFIRXDZRW-SNVBAGLBSA-N	297.786	1.128	10	20	CDCD	
O=C1CC[C@H]2CN(Cc3ccccc3O)CC[C@@H]2N1	827141158	PQNNGGNJTLSZJH-AAEUAGOBSA-N	260.337	1.493	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@H](C)NC2CC2)c1	828666758	IFMAQEXJKVZNAD-ZJUUUORDSA-N	278.352	1.719	10	20	CDCD	
CNC(=O)C1CN(Cc2cc(Cl)c(C)cc2O)C1	826113979	RXCYVMJNZDHOQB-UHFFFAOYSA-N	268.744	1.532	10	20	CDCD	
COc1cccc(CNC(=O)c2cc([N+](=O)[O-])c[nH]2)c1O	727839453	CNCXVGGSWZJRJG-UHFFFAOYSA-N	291.263	1.567	10	20	CDCD	
C[C@@H](NC(=O)[C@H]1C[C@@H](O)C1)c1ccc(N(C)C)cc1	822082823	PQAVFNUMNAYMSV-QKCSRTOESA-N	262.353	1.701	10	20	CDCD	
CN(CCO)Cc1ccc(Br)cc1O	824484688	QKJJCMWDALTIEN-UHFFFAOYSA-N	260.131	1.579	10	20	CDCD	
CN(C)c1ccc([C@@H](N)CNC(=O)C2CCOCC2)cc1	832292772	MIECVPVHPGICKV-HNNXBMFYSA-N	291.395	1.295	10	20	CDCD	
C[C@H]1CN(C(=O)NCc2ccc(N(C)C)c(F)c2)CCN1	841760234	JHJFJMHFFQBNMV-NSHDSACASA-N	294.374	1.395	10	20	CDCD	
COc1cccc([C@H](C)NC[C@@]2(O)CCOC2)c1O	846155656	BODYRMWFVGADEE-HZMBPMFUSA-N	267.325	1.203	10	20	CDCD	
C[C@@H](CC(N)=O)C(=O)NCc1cc(Cl)ccc1O	846475718	GQLMTQAXHBEYEO-ZETCQYMHSA-N	270.716	1.173	10	20	CDCD	
COC[C@@H](O)CCN[C@H](C)c1cccc(OC)c1O	846157963	QKJBBOFLAWJORN-MNOVXSKESA-N	269.341	1.449	10	20	CDCD	
CC[C@@](C)(O)C(=O)NCc1ccc(N(C)C)cc1	929405805	QJJBAYGRCSSJAJ-CQSZACIVSA-N	250.342	1.530	10	20	CDCD	
CC[C@@](C)(O)C(=O)N(C)Cc1ccc(N(C)C)cc1	929533619	TXWQOZWVHGWQOK-OAHLLOKOSA-N	264.369	1.872	10	20	CDCD	
CN1CCN(c2ccc(CN[C@H]3CCC[C@H]3N)cc2)CC1	925764475	ZNFAARXDTQVPPZ-SJORKVTESA-N	288.439	1.408	10	20	CDCD	
COc1ccc(CNC(=O)NCC2(N)CCCC2)c(O)c1	851672172	YFOHWTXCVNTMMF-UHFFFAOYSA-N	293.367	1.472	10	20	CDCD	
NCC12CCC(CC1)N2C(=O)N1Cc2cccc(O)c2C1	864056539	DXCMPPBYCUUEAZ-UHFFFAOYSA-N	287.363	1.784	10	20	CDCD	
CCCC[C@H](NC(N)=O)C(=O)NCc1cc(C)ccc1O	862759136	WZEQBAOYYYSBLN-LBPRGKRZSA-N	293.367	1.544	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)C(=O)OC(C)(C)C)c1	764869931	XDWQVYARTICXRW-VIFPVBQESA-N	295.335	1.920	10	20	CDCD	
CN(C)c1ccc(CNc2ccc(C(N)=O)cn2)cc1F	1117489525	TWHPZOPZZWIUJN-UHFFFAOYSA-N	288.326	1.998	10	20	CDCD	
C[C@@](CO)(NC(=O)/C=C\c1ccc(O)c(O)c1)C1CC1	779535012	UOMWEKJSBNCCIY-FTWHOSCRSA-N	277.320	1.388	10	20	CDCD	
CN(C)c1ccc(CN2C[C@H](O)C[C@]2(C)CO)cc1	878984631	VYLQBCXTOIMZLC-HUUCEWRRSA-N	264.369	1.070	10	20	CDCD	
COC[C@@](C)(CC(=O)OC)NCc1ccc(C)cc1O	877326031	RHCMKTCJRMXILI-OAHLLOKOSA-N	281.352	1.758	10	20	CDCD	
CC(=O)NC[C@H]1CCCCN1Cc1ccccc1O	877674638	NXOVPUJXXIHMPL-CQSZACIVSA-N	262.353	1.883	10	20	CDCD	
COc1cccc(CNC(=O)N[C@H]2C[C@H](OC)C2)c1O	875905915	DZSYKNQMNJWODC-XYPYZODXSA-N	280.324	1.377	10	20	CDCD	
C[C@@H](NC[C@@H](C)S(C)(=O)=O)c1c(O)cccc1F	886555340	PVQDDSZDQQUZJT-RKDXNWHRSA-N	275.345	1.615	10	20	CDCD	
Nc1ccc(CNC(=O)C2CCN(C3CC3)CC2)cc1	1122535477	AODPHFKWPRFLGU-UHFFFAOYSA-N	273.380	1.759	10	20	CDCD	
O=C1OCC[C@@H]1NCc1c(O)ccc(Cl)c1F	895803368	HQPMXDNQPNCJCD-QMMMGPOBSA-N	259.664	1.590	10	20	CDCD	
C[C@H]1CN(Cc2cc(Cl)c(F)cc2O)C[C@@H]1O	897681057	YIHRWUOVYXVULK-MADCSZMMSA-N	259.708	1.997	10	20	CDCD	
COC1(C)CN(C(=O)c2ccc(C)c(O)c2O)C1	780998907	CMUFWOHUAZBEQU-UHFFFAOYSA-N	251.282	1.267	10	20	CDCD	
CNC(=O)[C@H]1CCC[C@@H]1NCc1cc(C)cc(OC)c1O	894361160	DVSOGGSIKIQWLD-STQMWFEESA-N	292.379	1.714	10	20	CDCD	
COc1cc(C)cc(CN2CC[C@H]([C@H](C)O)C2)c1O	894432252	XQXBCDDYAPJIKY-RYUDHWBXSA-N	265.353	1.912	10	20	CDCD	
CC(=O)N1C[C@@H]2CN(Cc3ccccc3O)C[C@@H]2C1	895575321	AUANCCATQHOGBE-OKILXGFUSA-N	260.337	1.302	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@@H]2CCN(C)[C@@H]2C)c1	788298550	MAAVQOYQBZUBAM-ZWNOBZJWSA-N	278.352	1.357	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)c1ccoc1CC(N)=O	797189245	KDOUMNZWAQFYLO-UHFFFAOYSA-N	288.303	1.285	10	20	CDCD	
COc1ccc(CNC(=O)N[C@@H](C)C2CC2)c(O)c1	792778994	YCIJHBVMFOMRHP-VIFPVBQESA-N	264.325	1.999	10	20	CDCD	
CN1CC[C@@](O)(CNCc2c(O)ccc(Cl)c2F)C1	790986222	JYCPAHKPVPBODA-CYBMUJFWSA-N	288.750	1.341	10	20	CDCD	
CCN1C[C@H](C)N(C(=O)c2cccc(O)c2O)C[C@H]1C	790910800	BQLAHBMHUYSQHY-MNOVXSKESA-N	278.352	1.653	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NCc2cnn(C)c2)c1	1329721188	BRILIAYZWPEIGK-UHFFFAOYSA-N	274.324	1.434	10	20	CDCD	
CC(C)OCCOC[C@H](O)CN(C)Cc1ccc(N)cc1	1336286544	RPNYTTYJOYLOCS-MRXNPFEDSA-N	296.411	1.503	10	20	CDCD	
CCOC(=O)C[C@H]1CCCN1C(=O)c1cccc(O)c1O	1339534636	BZRACYQJHDXYKI-SNVBAGLBSA-N	293.319	1.656	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)COCc2cc(C)on2)c1	1337301018	UTEREUWHHHQXSV-UHFFFAOYSA-N	290.319	1.830	10	20	CDCD	
CCO[C@@H]1C[C@@](N)(C(=O)NCc2ccc(N)cc2)C1(C)C	1263303545	ACMXVNCVGDJXQZ-CZUORRHYSA-N	291.395	1.418	10	20	CDCD	
COc1ccc(O)c(CNC(=O)N[C@H]2CO[C@H](C)C2)c1	1349093513	QFYWHUYOBKHOBB-MWLCHTKSSA-N	280.324	1.377	10	20	CDCD	
O=C(NC[C@H]1[C@@H](C(=O)O)C1(F)F)c1cc(O)cs1	1608461855	LDPYVDTXPYDIMG-FSPLSTOPSA-N	277.248	1.149	10	20	CDCD	
Cc1cccc(CN[C@@](C)(CCF)C(=O)O)c1O	1600531924	BKJAYOCLWUYZGQ-ZDUSSCGKSA-N	255.289	1.993	10	20	CDCD	
CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@H]1C[C@H]1CN	1578489929	WUFRSSXOOSHPBF-HOCLYGCPSA-N	287.407	1.840	10	20	CDCD	
CCO[C@H]1C[C@@H](NC(=O)c2cccc(O)c2O)C1	837733848	GSKJDBMHBSUUHD-DTORHVGOSA-N	251.282	1.395	10	20	CDCD	
CCn1cc(NC(=O)NCCc2ccc(N)cc2)cn1	841023714	ZRAWNGAHDBDPJW-UHFFFAOYSA-N	273.340	1.849	10	20	CDCD	
CN(C)CC1(NCc2cc3c(cc2O)OCO3)CCC1	282250363	OMBFOADDGLUXAN-UHFFFAOYSA-N	278.352	1.695	10	20	CDCD	
CC(=O)c1cc(Cl)cc(CN(CC(N)=O)C(C)C)c1O	50147098	YDTUBMUHFWGWOH-UHFFFAOYSA-N	298.770	1.944	10	20	CDCD	
CCOc1cccc(CNCCS(=O)(=O)CC)c1O	69172933	RECIJVXFINTXCB-UHFFFAOYSA-N	287.381	1.315	10	20	CDCD	
CCNC(=O)CCCC(=O)NCc1cc(OC)ccc1O	114544335	BKDHCGFHJLSOET-UHFFFAOYSA-N	294.351	1.323	10	20	CDCD	
C[C@H](CS(C)(=O)=O)N(C)Cc1c(O)cccc1Cl	125946710	LUOHNFHTLPXXBG-SECBINFHSA-N	291.800	1.911	10	20	CDCD	
NC(=O)Cc1ccc(NC(=O)Cc2ccc(N)cc2)cc1	37032634	LVBORJPXPZNUFA-UHFFFAOYSA-N	283.331	1.478	10	20	CDCD	
Cc1ccc(C(=O)N(C)C[C@H](O)C(F)(F)F)c(O)c1O	182985939	QSLQVLIXNIFEME-QMMMGPOBSA-N	293.241	1.401	10	20	CDCD	
CSC[C@@H](O)CN1CCOc2cc(N(C)C)ccc21	188166811	GEMCIDMXAKUVOK-LBPRGKRZSA-N	282.409	1.675	10	20	CDCD	
COCCC1(C(=O)NCc2ccc(O)c(O)c2)CCC1	182513748	ANEYSAGTANGSIK-UHFFFAOYSA-N	279.336	1.921	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCCC[C@@H]1CO	126279155	XAHCASWTWGAOCE-SECBINFHSA-N	251.282	1.085	10	20	CDCD	
Cc1cc(NS(=O)(=O)c2cn[nH]c2)c(C)c(C)c1O	187060735	WJFCJXDCTDLQFI-UHFFFAOYSA-N	281.337	1.841	10	20	CDCD	
COCC[C@](C)(O)CNCc1cccc(OC)c1O	172070753	BFABKNQHRQWFBE-AWEZNQCLSA-N	269.341	1.278	10	20	CDCD	
C[C@@H](NCCOCCO)c1ccc(F)c(F)c1O	191186815	XZHLYJWKPZMHMX-MRVPVSSYSA-N	261.268	1.330	10	20	CDCD	
COc1ccc(O)c([C@@H](C)N[C@@H]2CCCNC2=O)c1	50394278	XNLKMBWUAPFTLI-BXKDBHETSA-N	264.325	1.330	10	20	CDCD	
COc1cccc(CN2CC([C@@H]3CCOC3)C2)c1O	365565139	XTNKSXNCTMTESY-GFCCVEGCSA-N	263.337	1.869	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)NC2CCN(C)CC2)c1	273393085	LFHUHWYVSZOBIT-LLVKDONJSA-N	292.379	1.924	10	20	CDCD	
C[C@H](O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	276059875	KLEWJVJDJSUTLW-NSHDSACASA-N	262.353	1.624	10	20	CDCD	
CC[C@@H]1NC(=O)N(Cc2ccc(N(C)C)c(F)c2)C1=O	272568765	ZVGGRYSVKXQFKT-NSHDSACASA-N	279.315	1.722	10	20	CDCD	
COC(=O)C[C@@H](C)NC(=O)/C=C/c1ccc(O)c(O)c1	272388505	GOQDZAIBYSMIET-OTQAPUNGSA-N	279.292	1.179	10	20	CDCD	
COC(=O)[C@H](C)CN(C)C(=O)/C=C/c1ccc(O)c(O)c1	272350483	AVOOAWWMKZEUTD-BREXMAIKSA-N	293.319	1.379	10	20	CDCD	
C[C@@H]1C[C@H](C(=O)NCc2ccc(O)c(O)c2)CCO1	272199988	AKVROFQGSUJOGR-MWLCHTKSSA-N	265.309	1.529	10	20	CDCD	
c1cc2c(cc1CNCCN1CCCOCC1)CCO2	289407029	HIJUYLDBQFVLLT-UHFFFAOYSA-N	276.380	1.433	10	20	CDCD	
CN1CCCc2cc(CNC(=O)c3ncn(C)n3)ccc21	289587456	AUTXMGQMZAKQMS-UHFFFAOYSA-N	285.351	1.128	10	20	CDCD	
C[C@H](N[C@H](C)c1ccc(F)cc1O)C(=O)NCCF	282654676	IFXDALHFIBMKPR-BDAKNGLRSA-N	272.295	1.656	10	20	CDCD	
CN(C)[C@@H]1CCCC[C@H]1NC(=O)Cc1ccc(N)cc1	1349486085	DCNMCASZTGYHBT-HUUCEWRRSA-N	275.396	1.800	10	20	CDCD	
CC(=O)C(=O)COc1c(F)c(F)c(F)c(F)c1F	808021736	CRULXPGENIZGNF-UHFFFAOYSA-N	268.137	1.919	10	20	CDCD	
CO[C@@H]1[C@H]2C[C@@H]3CN(C(=O)c4cc(O)cs4)[C@H]1[C@H]3C2	807688553	LOTMQKRJHQCQDL-BUZZBJMKSA-N	279.361	1.949	10	20	CDCD	
CCO[C@@H](C)C(=O)N1CCN(c2ccc(OC)cc2)CC1	298448905	KFJIWNQZBXWQQT-ZDUSSCGKSA-N	292.379	1.769	10	20	CDCD	
O=C(CO)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	827311186	WUUSETDNUWVITB-GFCCVEGCSA-N	298.770	1.119	10	20	CDCD	
COCC(=O)NC1CCN(c2ccc(OC)cc2)CC1	726562719	VAWKFSFJEHPTKQ-UHFFFAOYSA-N	278.352	1.427	10	20	CDCD	
O=C(N[C@@H]1CCN(CC2CC2)C1)c1c(F)ccc(O)c1O	825771652	YUPVRTAHSJWSDO-SNVBAGLBSA-N	294.326	1.451	10	20	CDCD	
COc1cccc(CNC(=O)COC2CCOCC2)c1O	735329951	FEQSTRMVZRBHJQ-UHFFFAOYSA-N	295.335	1.213	10	20	CDCD	
C/C=C\C(=O)NCc1ccc(N2CCOCC2)cc1	737810028	YJYJBBAEJYGQMY-IHWYPQMZSA-N	260.337	1.716	10	20	CDCD	
O=C(CC[C@H]1CCOC1)NCc1ccc(O)cc1O	910950852	KYUPFQXZJHYMOL-JTQLQIEISA-N	265.309	1.531	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)c1occ2c1CCOC2	910946999	YRPFNFMRQBRTHL-UHFFFAOYSA-N	289.287	1.694	10	20	CDCD	
CC(=O)NCCCCCC(=O)NCc1ccc(O)cc1O	910952502	VUPLITGHOGWMBU-UHFFFAOYSA-N	294.351	1.411	10	20	CDCD	
CC[C@@H]1C(=O)N(CC)CCN1C(=O)Nc1ccc(N)cc1	841296672	WYXCKKBASCBKBY-CYBMUJFWSA-N	290.367	1.743	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H](N)C(C)C)c1	841943967	RXCRAVSUONXAJF-ZWNOBZJWSA-N	295.383	1.744	10	20	CDCD	
Nc1ccc(CCNC(=O)[C@H]2CCCNCC2)cc1	846666198	SEHKXPNYWXKUCO-ZDUSSCGKSA-N	261.369	1.317	10	20	CDCD	
O=C(O)CN(Cc1ccccc1O)C(=O)C1CCOCC1	911483474	AWQYFCFDHMFKNG-UHFFFAOYSA-N	293.319	1.232	10	20	CDCD	
CN[C@@H]1CCN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1	841882337	JKGCNLYWPDAJSK-TZMCWYRMSA-N	290.411	1.817	10	20	CDCD	
CN[C@@H]1CCN(Cc2cc(F)cc(C(C)=O)c2O)C1	843344683	QMQSJFPSRDMQCA-GFCCVEGCSA-N	266.316	1.528	10	20	CDCD	
COc1cc(Cl)cc(CNC[C@@H]2C[C@H](F)CN2)c1O	841080740	YCMKHSPWMBVOOK-QWRGUYRKSA-N	288.750	1.844	10	20	CDCD	
Cc1cc(O)c(CNCCO[C@H]2CCOC2)cc1C	922938940	YFVXUROCDXQUPY-AWEZNQCLSA-N	265.353	1.904	10	20	CDCD	
CN(Cc1ccccc1O)C[C@@H]1CN(C)C(=O)O1	1327813288	YSBOZSBRFZPXDT-LLVKDONJSA-N	250.298	1.275	10	20	CDCD	
COC(=O)CCCOC(=O)c1cccc(O)c1O	758557994	MONIZJBOHNEWTP-UHFFFAOYSA-N	254.238	1.208	10	20	CDCD	
COc1nccc(C(=O)NCc2ccc(N(C)C)cc2)n1	929402716	DFFFMWXCCWRBIS-UHFFFAOYSA-N	286.335	1.481	10	20	CDCD	
Cn1ncnc1C(=O)NCc1ccc(N2CCCC2)cc1	853798404	GHBUYNZLDCXYGT-UHFFFAOYSA-N	285.351	1.345	10	20	CDCD	
C[C@@H](NCCN1CC[C@H](O)C1)c1ccc(F)cc1O	858601916	MHPZTFQPPDFMJN-PWSUYJOCSA-N	268.332	1.249	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H]1CCCN1C	935945189	OBNBJSGZOXHWDL-NSHDSACASA-N	283.368	1.588	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2cnc(O)n2C)cc1	864575475	OYZMWDOYCUOCNR-UHFFFAOYSA-N	274.324	1.122	10	20	CDCD	
Oc1cc2c(cc1CN1CC[C@@H](CF)C1)[C@H](O)CO2	1119331217	MZLPWJHZRJHWOZ-TVQRCGJNSA-N	267.300	1.609	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CC[C@H](O)[C@H]2CCCC[C@H]21	871200140	NICVLAZLZLKFLX-UHTWSYAYSA-N	291.347	1.863	10	20	CDCD	
CCN(C)c1ccc(CN[C@@]2(C(=O)OC)CCOC2)cc1	773816878	HJSGGYQNJFWRBG-INIZCTEOSA-N	292.379	1.564	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)c1ccc2cc[nH]c2n1	779383943	HAZISOIMLFKTQM-UHFFFAOYSA-N	297.314	1.947	10	20	CDCD	
Cc1ccc(CNCCN2CCC(N(C)C)CC2)c(O)c1	877159084	SDTUZWYKIWMWHR-UHFFFAOYSA-N	291.439	1.816	10	20	CDCD	
COC(=O)C[C@@]1(NCc2ccccc2O)CCCOC1	770675817	GFNGZNWAKMVMJI-HNNXBMFYSA-N	279.336	1.594	10	20	CDCD	
Cc1ccn2cc(CNC(=O)c3cccc(O)c3O)nc2c1	776338879	MGDCNUWRIPGCMQ-UHFFFAOYSA-N	297.314	1.984	10	20	CDCD	
C[C@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)CC[C@@H]1O	778261012	PYFYHZBQWWPVKL-WFASDCNBSA-N	291.395	1.665	10	20	CDCD	
C[C@@H](NCC(=O)Nc1nncs1)c1ccccc1O	879648304	JHBRFPZNWZQFDB-MRVPVSSYSA-N	278.337	1.533	10	20	CDCD	
COCC[C@H](CO)N[C@@H](C)c1c(O)cccc1F	886604992	HJSRVFWNDSIJIQ-VHSXEESVSA-N	257.305	1.579	10	20	CDCD	
C[C@H]1[C@@H](C)N(C(=O)c2cc(O)cs2)CCN1C	771418863	OPWWZIPUYWZTDS-DTWKUNHWSA-N	254.355	1.618	10	20	CDCD	
C[C@@H](NC[C@H](O)COCC1CC1)c1ccccc1O	775137041	QOYDMRARHJJPFB-YPMHNXCESA-N	265.353	1.830	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2cccc(O)n2)c1	788299092	ORCQFBNFJCKIKL-UHFFFAOYSA-N	274.276	1.431	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)N=c1ccc2ncc[nH]c-2n1	782040431	AGYKDEWQWFJBRK-JTQLQIEISA-N	296.330	1.853	10	20	CDCD	
C[C@@H](NC(=O)c1cc(O)cs1)[C@@H]1CCCOC1	780782742	UMBUCXOVUYCSNP-RKDXNWHRSA-N	255.339	1.999	10	20	CDCD	
CCN(CCNC(=O)c1ccc(C)c(O)c1O)C(C)C	780938442	BYTYDEPMRMBYDP-UHFFFAOYSA-N	280.368	1.866	10	20	CDCD	
C[C@@H](NC(=O)NCC(F)(F)CN)c1ccccc1O	892065207	NTUNTYRESVKBJT-MRVPVSSYSA-N	273.283	1.346	10	20	CDCD	
COc1cc(C)cc(CN[C@@H](C)CC[S@](C)=O)c1O	894332932	KIMXGOJKSSBMKF-WLRWDXFRSA-N	285.409	1.956	10	20	CDCD	
COc1cc(C)cc(CN2CC[C@H](O)[C@@H](C)C2)c1O	894497615	NDUUCJSCLHQEPR-AAEUAGOBSA-N	265.353	1.912	10	20	CDCD	
CCOCCCNC(=S)NCc1ccc(OC)cc1O	795031926	OGMPHMFPLJUAGJ-UHFFFAOYSA-N	298.408	1.792	10	20	CDCD	
CC[C@]1(C)CN(C(=O)c2cccc(O)c2O)CCO1	275991837	NCXYPFMIITVNRC-CQSZACIVSA-N	265.309	1.739	10	20	CDCD	
CCc1c(C(=O)NCc2ccc(OC)cc2O)cnn1C	794377447	OFFIWFYSMCCLSO-UHFFFAOYSA-N	289.335	1.627	10	20	CDCD	
CCn1cc(NC(=O)NCc2ccc(OC)cc2O)cn1	794760281	MHPLWZAQKAQFBC-UHFFFAOYSA-N	290.323	1.939	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1CC1(C)C	1325669717	ZSVHUDNIFYKTPX-LBPRGKRZSA-N	276.336	1.265	10	20	CDCD	
CCON(C)C(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1	1325460931	TXIGEFILMDAMML-UHFFFAOYSA-N	293.367	1.121	10	20	CDCD	
CO[C@H]1CCC[C@@H]1C(=O)NCCc1ccc(O)c(O)c1	1335854024	CQBMQQAZWILPOG-FZMZJTMJSA-N	279.336	1.572	10	20	CDCD	
CCN(CC)CCNC(=O)NCc1ccc(N)cc1	1336225758	QBVCCVKSCQWECK-UHFFFAOYSA-N	264.373	1.410	10	20	CDCD	
CCN(C[C@@H](C)OC)C(=O)NCc1ccc(N)cc1	1338793683	RSBKCVMJOPQHOA-LLVKDONJSA-N	265.357	1.835	10	20	CDCD	
C[C@@H](NC(=O)CO[C@@H]1CCOC1)c1ccccc1O	1330897127	QPJKPHBKKSFZRG-GHMZBOCLSA-N	265.309	1.375	10	20	CDCD	
CCn1cnnc1CNCc1ccc(OC)c(C)c1	218232794	AGSZPLLZTJAOCV-UHFFFAOYSA-N	260.341	1.905	10	20	CDCD	
O=C(Cc1ccc(O)c(O)c1)N1C2CCC1(C(=O)O)CC2	1608363437	HSJCSNIQDUZUPH-UHFFFAOYSA-N	291.303	1.249	10	20	CDCD	
COCC[C@H](C)N[C@H](C)c1cccc(-c2nn[nH]n2)c1O	1605080202	WSYWFGLONDFYSQ-VHSXEESVSA-N	291.355	1.648	10	20	CDCD	
COc1ccc(CNc2ncc(C(=O)O)cn2)c(O)c1	1610336136	FWTZMLJBEYHAIT-UHFFFAOYSA-N	275.264	1.501	10	20	CDCD	
COc1ccc(CN[C@H]2C[C@H](N)C2)cc1Cn1cccn1	1579217945	IZWJDYFBTCLTFZ-SHTZXODSSA-N	286.379	1.519	10	20	CDCD	
C[C@@H](NCCCCCO)c1cc(C(=O)O)ccc1O	1593263992	DNHSBZGLYCQBIX-SNVBAGLBSA-N	267.325	1.904	10	20	CDCD	
COc1ccc(O)c(CN(C)C[C@@H]2COCCO2)c1	827141792	XRWNVVHSEMDVJV-CYBMUJFWSA-N	267.325	1.248	10	20	CDCD	
COc1cccc(O)c1CN1CCC[C@H](CCN)C1	843112643	JYXWZHDBZHUKPM-GFCCVEGCSA-N	264.369	1.962	10	20	CDCD	
C[C@@H](NCCCC(=O)N(C)C)c1ccccc1O	183460819	YVLSSQDPXIGBMH-LLVKDONJSA-N	250.342	1.911	10	20	CDCD	
CC(=O)c1cc(Cl)cc(CN2C[C@@H](O)C[C@H]2CO)c1O	186522430	IIFKKOIMKRCMHG-RYUDHWBXSA-N	299.754	1.176	10	20	CDCD	
COc1ccc(O)c(CN2CCC[C@H]([C@@H](C)N)C2)c1	70171746	FXMVBDOIIDMCQB-NEPJUHHUSA-N	264.369	1.960	10	20	CDCD	
CC[C@H](N[C@H](C)CC(=O)NC)c1ccccc1O	323032894	MSXRYVBJQAFVHM-PWSUYJOCSA-N	250.342	1.958	10	20	CDCD	
CN1CCN(c2ccc(CNC(=O)C3CCC3)cc2)CC1	130991	ZXOSYJHTRLVOLW-UHFFFAOYSA-N	287.407	1.855	10	20	CDCD	
COC[C@@H](O)CCNCc1ccc(N(C)C)cc1	231604509	FBMXZDFXLFHRFA-AWEZNQCLSA-N	252.358	1.240	10	20	CDCD	
CCc1cc(C(=O)NCc2cc(OC)ccc2O)[nH]n1	114542069	HFGCJDSXWONFCX-UHFFFAOYSA-N	275.308	1.616	10	20	CDCD	
Cc1ccc(C(=O)NCCN2CCCCC2)c(O)c1O	177672269	DLGLCXVZHGBPMP-UHFFFAOYSA-N	278.352	1.622	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2ccc(C(N)=O)cn2)cc1	63501039	IPJDVSZOLCKAKQ-UHFFFAOYSA-N	298.346	1.177	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)[C@@H]1COCCO1	66096384	WAGOLNFZPANXAC-AWEZNQCLSA-N	279.336	1.546	10	20	CDCD	
COC(=O)C[C@H]1CN(Cc2cc(F)ccc2O)CCO1	180166144	PFELBPUTWRXUER-LBPRGKRZSA-N	283.299	1.295	10	20	CDCD	
C[C@H](CCN(C)C)NCc1ccc(N2CCOCC2)cc1	49553590	FRZUBDMMLGTVAD-OAHLLOKOSA-N	291.439	1.953	10	20	CDCD	
CCCOc1ccc(CN[C@@H]2C(=O)NCC[C@H]2C)c(O)c1	193679871	XIFZEAFHFHLCCD-ABAIWWIYSA-N	292.379	1.795	10	20	CDCD	
Nc1ccc(CCNC(=O)C[C@H]2CSCCN2)cc1	131014434	PWGNOOFMSVJWMT-ZDUSSCGKSA-N	279.409	1.023	10	20	CDCD	
COC(=O)[C@H](NCc1cc(F)ccc1O)C1CC1	276408563	FCCOFYAVJXQRDN-GFCCVEGCSA-N	253.273	1.573	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1CCSC1	272712108	YCIURTIWYUSVBW-XCRNYIDWSA-N	265.334	1.733	10	20	CDCD	
C[C@H](NC[C@H](C)CCO)c1cc([N+](=O)[O-])ccc1O	273601721	SATVHAFKQWMBSM-ZJUUUORDSA-N	268.313	1.970	10	20	CDCD	
C[C@H](N[C@@H]1CC[C@H]1O)c1cc([N+](=O)[O-])ccc1O	818358323	UVBKXERAGVKGSE-HNBZJPLGSA-N	252.270	1.474	10	20	CDCD	
CCN(CCO)CCNCc1ccc2ccccc2c1O	816571066	QZDCUARKGOENEN-UHFFFAOYSA-N	288.391	1.949	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC[C@@H]2CNCCCO2)c1	817981397	IWILPSZTYGILGQ-YPMHNXCESA-N	280.368	1.430	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC[C@@H](O)CN(C)C1CC1	819076735	FDGALILYEQVLFH-QGZVFWFLSA-N	291.439	1.606	10	20	CDCD	
CCNCCN[C@H](C)c1cc([N+](=O)[O-])ccc1O	817951321	DUUMTIRCMZQOKG-SECBINFHSA-N	253.302	1.561	10	20	CDCD	
COc1cc(O)c(CN[C@H]2C[C@@H](C(=O)OC)C2)cc1OC	827500627	FVMDEWBSBYFPQF-JGZJWPJOSA-N	295.335	1.451	10	20	CDCD	
Cc1cccc(/C=C2/SC(=S)N(CC(N)=O)C2=O)c1	727176323	JPAKIJMAZITYGW-UXBLZVDNSA-N	292.385	1.682	10	20	CDCD	
N[C@H]1C[C@H](NCc2ccc(N3CCOCC3)cc2)C1	906507797	CKSIRNLLPVRQPP-HDJSIYSDSA-N	261.369	1.103	10	20	CDCD	
COC[C@@H](C)CC(=O)NC[C@H](N)c1ccc(N(C)C)cc1	832267051	LZCKKZHHSICTRF-WFASDCNBSA-N	293.411	1.541	10	20	CDCD	
NC1(C(=O)NCc2c(O)ccc3c2CCCC3)CCC1	830597449	JEXKAVHPCOUHEF-UHFFFAOYSA-N	274.364	1.769	10	20	CDCD	
CN(CCC(=O)O)C(=O)NCc1ccc(N(C)C)cc1	818432110	AUSABLPYMLYXIA-UHFFFAOYSA-N	279.340	1.369	10	20	CDCD	
Oc1cccc2c1[C@@H](NCCN1C[C@@H]3CC[C@H](C1)O3)CC2	834886683	FGJJIBBIVMFXRE-ZNMIVQPWSA-N	288.391	1.832	10	20	CDCD	
NC[C@H]1CCCN(Cc2ccc(N3CCOCC3)cc2)C1	843046822	BJZJJNSLGJHLRJ-MRXNPFEDSA-N	289.423	1.694	10	20	CDCD	
Oc1ccc(F)cc1CN[C@H]1CCN(CC(F)F)C1	841894653	SKKYHECNZURMOZ-NSHDSACASA-N	274.286	1.960	10	20	CDCD	
Cc1cc(C(=O)N(C)CCN)c(C)n1-c1ccccn1	842509062	GYRQGFCIJAJUPI-UHFFFAOYSA-N	272.352	1.520	10	20	CDCD	
C[C@@H](Nc1cnn(CCO)c1)c1cc(F)ccc1O	756853931	AUDQMTIPBOEVTP-SECBINFHSA-N	265.288	1.893	10	20	CDCD	
C[C@H](O)[C@@H](O)CN(Cc1ccc(N(C)C)cc1)C1CC1	929294517	DYUZOSXZCFFSOM-LRDDRELGSA-N	278.396	1.459	10	20	CDCD	
C[C@H](NC/C=C\CO)c1ccc(N2CCOCC2)c(F)c1	850509406	PPFATYCEVFCJDJ-ZRMMWKCHSA-N	294.370	1.861	10	20	CDCD	
CN(CCCF)C(=O)/C=C\c1ccc(O)c(O)c1	925543365	UMRFWTQSHOVRED-XQRVVYSFSA-N	253.273	1.929	10	20	CDCD	
C/C=C\C(=O)NCc1ccc(N2CCC(O)CC2)cc1	856208519	PCXJLROMCMCPAH-IHWYPQMZSA-N	274.364	1.840	10	20	CDCD	
CC(C)[C@H](C)NC(=O)COC(=O)c1cccc(O)c1O	758561024	ZTJVEQPSDRMGBA-VIFPVBQESA-N	281.308	1.415	10	20	CDCD	
COc1cccc(CNC(=O)[C@@H](O)C(C)(C)C)c1O	765175993	HJHYOZXUEGTGDO-GFCCVEGCSA-N	267.325	1.424	10	20	CDCD	
CCOc1ccc(CN2CCCNC(=O)C2)c(O)c1	769116864	WJHNTGCZFGPMEE-UHFFFAOYSA-N	264.325	1.113	10	20	CDCD	
C[C@H]1C[C@H](O)CN1Cc1cc(F)c(N(C)C)cc1F	862338985	JASKDNILILZIFG-ONGXEEELSA-N	270.323	1.986	10	20	CDCD	
CCn1cc(C(=O)NCc2cccc(OC)c2O)c(C)n1	860240352	HBUSWIONFCBPJV-UHFFFAOYSA-N	289.335	1.856	10	20	CDCD	
COc1cc(CN2CCCNC(=O)C2)c(O)cc1C	872826630	ZOCYSDOABWVEBZ-UHFFFAOYSA-N	264.325	1.031	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@@](C)(CO)C2CC2)c1O	775048622	MHLKUUDANFZLRG-AWEZNQCLSA-N	296.323	1.560	10	20	CDCD	
Cn1cc(CCNC(=O)/C=C/c2ccc(O)c(O)c2)cn1	779479742	ORPJGWBXUPVPEH-HWKANZROSA-N	287.319	1.203	10	20	CDCD	
C[C@H]1[C@@H](C)N(Cc2cc3c(cc2O)OCO3)CCN1C	775986195	POSRHYJHQFIUBI-WDEREUQCSA-N	278.352	1.645	10	20	CDCD	
CNC(=O)CN1CCC(NCc2c(C)cccc2O)CC1	876928117	ULAIKVYQFIXYAA-UHFFFAOYSA-N	291.395	1.001	10	20	CDCD	
Cc1ccc(CN(CCO)C2CCOCC2)c(O)c1	877460089	NYMWDOQWQMNOCR-UHFFFAOYSA-N	265.353	1.674	10	20	CDCD	
COc1cc(O)c(CNc2cnn(C)c2)cc1OC	776167315	BEXUGJJCRVWVDF-UHFFFAOYSA-N	263.297	1.755	10	20	CDCD	
CN(Cc1ncc[nH]1)Cc1cc2c(cc1O)OCO2	894584007	OPYWTRUXQMPZLX-UHFFFAOYSA-N	261.281	1.476	10	20	CDCD	
COc1ccc(CN2CCNC(=O)C[C@H]2C)c(O)c1OC	894491360	GRNJLPJPGUXZPY-SNVBAGLBSA-N	294.351	1.120	10	20	CDCD	
COC(=O)[C@H]1C[C@H](NCc2cc(F)cc(F)c2O)C1	895350483	MZGUWHXNVVUSFO-GVJMRKKJSA-N	271.263	1.712	10	20	CDCD	
COC[C@H](CO)NCc1cc(Cl)cc(F)c1O	793324144	IHPVJRCNKDIXQO-VIFPVBQESA-N	263.696	1.282	10	20	CDCD	
CCOCCOCCNCc1c(C)cccc1O	897204299	MVKWMXBTUHBEMV-UHFFFAOYSA-N	253.342	1.843	10	20	CDCD	
[N-]=[N+]=NCc1ccc(C(=O)N2CCC[C@@H](O)C2)o1	1537962739	XKLRRBOMVLVORV-MRVPVSSYSA-N	250.258	1.687	10	20	CDCD	
CS(=O)(=O)[C@H]1CCN(Cc2ccccc2O)C1	281921989	AFHACKXZZSBVRU-NSHDSACASA-N	255.339	1.011	10	20	CDCD	
CN(C)c1ccc(CNC[C@H]2CCCCS2(=O)=O)cc1	694587997	FUFXVPZFIDHDMQ-OAHLLOKOSA-N	296.436	1.810	10	20	CDCD	
Cc1n[nH]cc1CCCNC(=O)NCc1ccc(N)cc1	1336882488	MBRVKMFWFWIVJX-UHFFFAOYSA-N	287.367	1.732	10	20	CDCD	
C[C@H]1CCCN(C(=O)NCc2ccc(N)cc2)[C@@H]1CCO	1337070312	MOHLAOCTJWNONL-SWLSCSKDSA-N	291.395	1.961	10	20	CDCD	
CC1(C)CNC[C@@H]1C(=O)NCc1c(O)cccc1F	1341124393	PIAJREWCUVQPSS-SNVBAGLBSA-N	266.316	1.393	10	20	CDCD	
CO[C@H](CNC(=O)NCc1ccc(N)cc1)C(C)C	1353366804	NBMWWDKCZLYRAN-CYBMUJFWSA-N	265.357	1.739	10	20	CDCD	
Cc1ccc(O)c(CN=c2cc[nH]c(C(=O)O)n2)c1	1600467328	QYPUENORDDCEOK-UHFFFAOYSA-N	259.265	1.223	10	20	CDCD	
Cc1cc(NCc2cc(O)ccc2O)ncc1-c1nn[nH]n1	1592052210	CTENUFGARAMLON-UHFFFAOYSA-N	298.306	1.593	10	20	CDCD	
CC[C@@H](CNCc1cc(C)cc(OC)c1O)C(=O)O	1595167367	MHXKYTIAZXHTSV-JTQLQIEISA-N	267.325	1.910	10	20	CDCD	
CCc1nc(CN2CCOc3cc(N(C)C)ccc32)n[nH]1	160153305	IBYYMNQIPJIPNA-UHFFFAOYSA-N	287.367	1.832	10	20	CDCD	
Cn1cc([C@H]2CCCN2C(=O)Cc2ccc(N)cc2)cn1	167624315	HLHRXSJQNITXJH-OAHLLOKOSA-N	284.363	1.909	10	20	CDCD	
C[C@@H](CCO)NC(=O)NCCCSc1nccs1	153789866	WACZNOJJPCCUFR-VIFPVBQESA-N	289.426	1.695	10	20	CDCD	
COc1ccc(CNC[C@H]2CCCS2(=O)=O)cc1C	212583936	JCZVUFFNEKIHTH-CYBMUJFWSA-N	283.393	1.670	10	20	CDCD	
C[C@H]1C[C@H](NCc2ccc(N3CCOCC3)cc2)CO1	402041761	JBOVQLRSHNDLQV-ZFWWWQNUSA-N	276.380	1.790	10	20	CDCD	
CCOC[C@@H]1CN(Cc2cc(C)ccc2O)CCO1	529664850	FMMDIPSKNOGWGT-AWEZNQCLSA-N	265.353	1.938	10	20	CDCD	
Nc1ccc(CC(=O)NC2CCN(CC3CC3)CC2)cc1	178707255	TVMAEPUXWRZJME-UHFFFAOYSA-N	287.407	1.802	10	20	CDCD	
Cc1ccc(C(=O)Nc2ncccc2O)c(O)c1O	177663422	JOOQGURZGQETPT-UHFFFAOYSA-N	260.249	1.759	10	20	CDCD	
Cc1ocnc1C(=O)NCc1ccc(N(C)C)cc1	128333916	MGCOJXKOXHIBEM-UHFFFAOYSA-N	259.309	1.979	10	20	CDCD	
CCOc1ccc(O)c(CNC[C@](C)(O)CSC)c1	120616311	NSXDLYRLUOQKFB-AWEZNQCLSA-N	285.409	1.995	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NC1(CO)CCCC1	181265345	IBISFYBTYUNOQS-GQCTYLIASA-N	277.320	1.532	10	20	CDCD	
COC(=O)N1CC(N[C@@H](C)c2ccc(F)cc2O)C1	186137297	BPYHTLQFKBUEHL-QMMMGPOBSA-N	268.288	1.633	10	20	CDCD	
O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1COCCO1	41364982	AIAUWWDCXPWRTI-HNNXBMFYSA-N	290.363	1.318	10	20	CDCD	
CCN1CCN(C(=O)c2cccc(O)c2O)[C@H](C)C1	286555373	ACTIPNHJMUBEJI-SNVBAGLBSA-N	264.325	1.264	10	20	CDCD	
CC(=O)N1CCC(NC(=O)CSc2nccs2)CC1	45057696	YNAFGMSECIINHE-UHFFFAOYSA-N	299.421	1.362	10	20	CDCD	
CCOc1cccc(CN2CCOC[C@]23CCOC3)c1O	195017324	PRMYHMQKLKQKCE-MRXNPFEDSA-N	293.363	1.782	10	20	CDCD	
Cc1cc(NS(=O)(=O)N2CCCCC2)ccc1O	148638629	ZMPKLUNTBTXEQA-UHFFFAOYSA-N	270.354	1.843	10	20	CDCD	
COCCCn1cc(C(=O)NCc2ccccc2O)cn1	528854252	JVBQOHHRQJXDBV-UHFFFAOYSA-N	289.335	1.555	10	20	CDCD	
C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)Cc1ccc(N)cc1	269272820	UJKLMLGARXONGB-ABAIWWIYSA-N	273.380	1.410	10	20	CDCD	
COc1cccc(CNC(=O)N[C@H](C)[C@H]2CCOC2)c1O	266793116	NAMKMQPLUUTAKI-PWSUYJOCSA-N	294.351	1.625	10	20	CDCD	
CS[C@H](CO)[C@@H](C)NC(=O)c1c(F)ccc(O)c1O	276590340	MZMSBXGSBWMSGW-HZGVNTEJSA-N	289.328	1.079	10	20	CDCD	
COC[C@H](NC(=O)c1cccc(O)c1O)[C@@H]1CCCO1	279460511	MQDHWIRWFYENPF-JQWIXIFHSA-N	281.308	1.022	10	20	CDCD	
CC[S@](=O)CC(=O)NCc1ccc(N(C)C)cc1	278800056	ZFRQXFHMCGCMCD-SFHVURJKSA-N	268.382	1.137	10	20	CDCD	
O=C(NCc1ccccc1O)[C@]1(O)CCc2ccccc2C1	370276334	NCZHMIZJZALIFJ-SFHVURJKSA-N	297.354	1.928	10	20	CDCD	
COc1cccc(O)c1CN1C[C@H](OC)[C@H](OC)C1	754153495	JCPZXOMCQDRDDH-OKILXGFUSA-N	267.325	1.246	10	20	CDCD	
C[C@H]1CN(C(=O)c2cc(O)cs2)C[C@H](C)S1(=O)=O	812373362	UJGKVUILEIASHW-YUMQZZPRSA-N	289.378	1.101	10	20	CDCD	
CCCN1C[C@@H](CNC(=O)c2cccc(O)c2O)CC1=O	817622263	OVGFOEKPAGYYDI-SNVBAGLBSA-N	292.335	1.086	10	20	CDCD	
CC1(C)CN(Cc2cc(F)ccc2O)C[C@H](CO)O1	817412787	OZKSTDKJBDOTTE-GFCCVEGCSA-N	269.316	1.503	10	20	CDCD	
CON1CCC(NC(=O)/C=C/c2ccc(O)c(O)c2)CC1	817698367	WDFMUGNHBBJUJH-HWKANZROSA-N	292.335	1.253	10	20	CDCD	
C[C@@H]1C[C@H](NC(=O)NCc2ccccc2O)CO1	826035908	NQIQXQIBUASFMP-KOLCDFICSA-N	250.298	1.369	10	20	CDCD	
CCOC(=O)CN(CCC(=O)OC)Cc1ccccc1O	823581642	NGYJOSIAXQZOTB-UHFFFAOYSA-N	295.335	1.320	10	20	CDCD	
COc1cccc(CN2CC[C@@H](CCCO)C2)c1O	825338005	KTQLPUXQEJCPMY-GFCCVEGCSA-N	265.353	1.995	10	20	CDCD	
CCOc1ccc(O)c(CN2CCC[C@H]2C(=O)O)c1	820387716	XKYFOWTUKUMBPN-LBPRGKRZSA-N	265.309	1.840	10	20	CDCD	
COCCOC[C@H](C)NC(=O)c1c(F)ccc(O)c1O	826095320	KHLDECJNSKGOMG-QMMMGPOBSA-N	287.287	1.018	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)COC(F)(F)F)c1	827166347	HKQLYXFAAMPRTH-UHFFFAOYSA-N	263.215	1.853	10	20	CDCD	
CN1C[C@H]2CC[C@H]1[C@@H](CNC(=O)c1cc(O)cs1)C2	909747646	ZLGOZXDPHBOSSP-UMNHJUIQSA-N	280.393	1.914	10	20	CDCD	
CC[C@H](C)OCC(=O)NC[C@@H](N)c1ccc(N(C)C)cc1	832267658	YNJRKYWMAKQIDY-SWLSCSKDSA-N	293.411	1.684	10	20	CDCD	
CN1C(=O)CN(C(=O)/C=C\c2cnn(C)c2)c2ccccc21	748575334	JKRWSPLCWXOAKF-FPLPWBNLSA-N	296.330	1.443	10	20	CDCD	
C[C@H]1CNCCN1Cc1ccc(N2CCOCC2)cc1	843048144	PMCYEFJMKRXAJY-AWEZNQCLSA-N	275.396	1.317	10	20	CDCD	
Nc1ccc(NC(=O)C(=O)NC[C@H]2CCCCS2)cc1	841086895	QAYOIAPNTYJJHZ-GFCCVEGCSA-N	293.392	1.609	10	20	CDCD	
Nc1ccc(NC(=O)C(=O)N2CC3(CCC3)[C@H]2C2CC2)cc1	841134598	ZJHIWRUXUNGUPF-CQSZACIVSA-N	299.374	1.998	10	20	CDCD	
CC[C@H]1CN(Cc2cc(OC)c(OC)cc2O)CC[C@@H]1N	843052844	VRXPTDUUZLXAMP-AAEUAGOBSA-N	294.395	1.969	10	20	CDCD	
COC(=O)CCN(C)CCN(C)c1ccc(OC)cc1	844399765	OCVCNKCQELTMDO-UHFFFAOYSA-N	280.368	1.626	10	20	CDCD	
CC[C@H]1CCN(C(=O)C(=O)Nc2ccc(N)cc2)C1	841062745	CQCYTIFPFRFOIX-JTQLQIEISA-N	261.325	1.466	10	20	CDCD	
COc1ccc(CNC(=O)[C@@H]2C[C@]23CCCNC3)c(O)c1	848429975	ZMUVRBUGMGGKCM-BBRMVZONSA-N	290.363	1.407	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCN2CC(F)(F)C[C@H]2C1	843913270	DQZULSQWXDHSQP-VIFPVBQESA-N	298.289	1.263	10	20	CDCD	
CC[C@H](C)CN(C)C(=O)C(=O)Nc1ccc(N)cc1	841036031	NLBZDQITDQONPL-JTQLQIEISA-N	263.341	1.712	10	20	CDCD	
CN(C)c1ccc([C@@H](N)CNCCNC(C)(C)C)cc1	841040955	DEIUFVVZCOQQPI-HNNXBMFYSA-N	278.444	1.730	10	20	CDCD	
C[C@@H]1C[C@H](NC[C@H]2CNC(=O)C2)c2c(O)ccc(F)c21	840833084	JHBLVTGJTHSOPN-YWVKMMECSA-N	278.327	1.805	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNc1nc(N)nc(N)n1	858413139	ABASMKZERVKNTD-UHFFFAOYSA-N	273.344	1.023	10	20	CDCD	
C[C@@H]1CN(CCNCc2ccc3c(c2)CCCO3)CCO1	921689604	IXRPWPGHNGLTGG-CQSZACIVSA-N	290.407	1.822	10	20	CDCD	
C[C@@H]1C[C@@H](NCCN2CC[C@@H](O)C2)c2c(O)ccc(F)c21	858546952	BJFPSVWJTNVURJ-NQBHXWOUSA-N	294.370	1.736	10	20	CDCD	
O=C(OCCNC(=O)C1CCCC1)c1cccc(O)c1O	758563817	XWRLFISNAKJMJT-UHFFFAOYSA-N	293.319	1.561	10	20	CDCD	
CC(=O)c1cc(F)cc(CN[C@H]2COC[C@@H]2C)c1O	932495799	HNVYZZLIDRXMGL-SDBXPKJASA-N	267.300	1.858	10	20	CDCD	
C[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)C[C@H]1O	930160587	SCMVVLNQQAIOPP-CZUORRHYSA-N	276.380	1.336	10	20	CDCD	
CCO[C@@H](C(=O)NCc1cccc(OC)c1O)C1CC1	860240668	JYHJPEPZIYLTQS-CQSZACIVSA-N	279.336	1.832	10	20	CDCD	
CCCCS(=O)(=O)NCc1ccc(O)cc1O	867416987	KQQGZGGEXFHZJY-UHFFFAOYSA-N	259.327	1.317	10	20	CDCD	
C[C@@H](NC(=O)NC[C@@]1(C)CCC(=O)N1)c1ccccc1O	868691609	KQDWJDQJXWECRL-MEBBXXQBSA-N	291.351	1.421	10	20	CDCD	
CCN(C)c1ccc(CN2C[C@@H]3C[C@@]3(CO)C2)cc1	773889585	YCJQCIYCVUTSJR-HOCLYGCPSA-N	260.381	1.957	10	20	CDCD	
O=C(Nc1c(Cl)ccc2nonc12)[C@@H]1COCCO1	1116850405	MMDTYFXGMCGAIQ-QMMMGPOBSA-N	283.671	1.230	10	20	CDCD	
Cc1ccc(CNC[C@@H]2CC[C@H](C(=O)N(C)C)O2)c(O)c1	877129336	BTZYTCAVBHGEHR-DZGCQCFKSA-N	292.379	1.426	10	20	CDCD	
CC(C)[C@H](O)C1(CNC(=O)c2cc(O)cs2)CC1	776249497	ZWKCRPYHZLBSKF-NSHDSACASA-N	269.366	1.981	10	20	CDCD	
CCCN1CC[C@@H](NC(=O)NCc2ccc(N)cc2)C1	1120548294	AJDOGJQEGNCKTD-CQSZACIVSA-N	276.384	1.552	10	20	CDCD	
Nc1ccc(CNC(=O)N2CC[C@@H]([C@H]3CCOC3)C2)cc1	1120677609	UJINAXSHKXPLFS-KGLIPLIRSA-N	289.379	1.837	10	20	CDCD	
CC[C@](C)(O)Cn1cc(COc2ccc(N)cc2)nn1	881412982	ILSCKXZPTHPYKM-AWEZNQCLSA-N	276.340	1.600	10	20	CDCD	
Cc1ccc(C(=O)N(C)Cc2ncc[nH]2)c(O)c1O	780931782	CZZRAXUJFJYKMP-UHFFFAOYSA-N	261.281	1.402	10	20	CDCD	
Cc1nc(CN2CCN(Cc3ccc(N)cc3)CC2)no1	1120371057	OCLORJGLDYUMSM-UHFFFAOYSA-N	287.367	1.278	10	20	CDCD	
COc1ccc(O)c(CNC(=O)CC(C)(C)OC)c1	787449456	JYXTYYKDXSVNRM-UHFFFAOYSA-N	267.325	1.832	10	20	CDCD	
COc1cc(C)cc(CN[C@H]2C[C@H](O)C2(C)C)c1O	894495092	SBJLOWUTYHQVAJ-STQMWFEESA-N	265.353	1.958	10	20	CDCD	
COCC1CN(Cc2ccc([N+](=O)[O-])c(OC)c2O)C1	895969646	HYUUNTGEJGHXNF-UHFFFAOYSA-N	282.296	1.387	10	20	CDCD	
COc1ccc(CNC(=O)C(F)(F)C(F)F)c(O)c1	794387382	FQTBRGULIFWRRN-UHFFFAOYSA-N	281.205	1.917	10	20	CDCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NCCOCCO	20198978	GLOOUJWMGSDPGS-NEPJUHHUSA-N	265.353	1.847	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CC(C)(C)O	280574561	CSDMRKQRZAGWSG-UHFFFAOYSA-N	264.369	1.872	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)CO[C@@H]1CCOC1	1252537885	PHMRVDXMYABFQW-CQSZACIVSA-N	293.363	1.936	10	20	CDCD	
C[C@@H](O)C[C@@H](C)NC(=O)NCc1ccc(N)cc1	1337017648	ASRHWPSBTYQEJE-NXEZZACHSA-N	251.330	1.227	10	20	CDCD	
C[C@@H]1CN(C(=O)c2cccc(O)c2O)[C@H](C)CN1C	790912154	YVYHTNQCEAVULC-NXEZZACHSA-N	264.325	1.262	10	20	CDCD	
Cc1cc(C(=O)N(C)Cc2ccccc2O)nn1C	79621542	FTXRVPPPKUQGIW-UHFFFAOYSA-N	259.309	1.706	10	20	CDCD	
CNC[C@H](C)CNC(=O)NCc1ccc(N(C)C)cc1C	1348550229	DOVYQEXXTZCBSO-LBPRGKRZSA-N	292.427	1.716	10	20	CDCD	
C[C@@H](CCO)CCNC(=O)NCc1ccc(N)cc1	1353540979	ZVTTVORYQOETGU-LLVKDONJSA-N	265.357	1.477	10	20	CDCD	
COc1ccc(N2CCC3(CC2)N=C(N(C)C)NO3)cc1	1355186989	WXKWEBUQLYSIFO-UHFFFAOYSA-N	290.367	1.444	10	20	CDCD	
C[C@H](NC(=O)CC(=O)O)c1ccc(N(C)C)cc1	1604269874	UXJJWPLEUXLRNV-VIFPVBQESA-N	250.298	1.405	10	20	CDCD	
O=C(O)C1=NO[C@@]2(CCN(Cc3cccc(F)c3O)C2)C1	1608589283	MNCMZCDHDHONCB-AWEZNQCLSA-N	294.282	1.337	10	20	CDCD	
COCC[C@H](CO)N[C@@H](C)c1cc(C(=O)O)ccc1O	1610252851	IIBNWKMUDWAFCZ-GXSJLCMTSA-N	283.324	1.138	10	20	CDCD	
O=C(NCc1cc(O)ccc1O)[C@@H]1CNc2ccccc21	1580712094	VPHDZSUONOBWFI-CYBMUJFWSA-N	284.315	1.923	10	20	CDCD	
CN(C)c1ccc(CN2C[C@H]3[C@@H](C2)[C@@H]3C(=O)O)cc1F	1598318279	VAIHRVLRNCDUTK-YABSGUDNSA-N	278.327	1.654	10	20	CDCD	
CCOC[C@H](NCc1ccc(OC)c(C)c1)C(=O)O	1776906332	VTIVGRRCZDFVHQ-LBPRGKRZSA-N	267.325	1.583	10	20	CDCD	
C[C@H](NC(=O)Cc1ccc(N)cc1)[C@@H](C)N1CCOCC1	167685661	COKJNBDZOAWSER-QWHCGFSZSA-N	291.395	1.037	10	20	CDCD	
CN1CCC(N(CCO)Cc2ccc(N(C)C)cc2)CC1	155505424	SDRLPQGGOJFBHE-UHFFFAOYSA-N	291.439	1.641	10	20	CDCD	
Nc1ccc(CC(=O)NCC(=O)NC2CCCCC2)cc1	153978675	PJGNUBFKSDPFPL-UHFFFAOYSA-N	289.379	1.376	10	20	CDCD	
CN(C)c1ccc(CN2CCC[C@@H](C(N)=O)C2)cc1F	154992467	OAGOCKXYPOGORI-GFCCVEGCSA-N	279.359	1.589	10	20	CDCD	
COc1ccc(N(C)C[C@H]2CCS(=O)(=O)C2)cc1	844353029	OTDUKZJDQRTYBH-LLVKDONJSA-N	269.366	1.566	10	20	CDCD	
CCOc1ccccc1NC[C@@H](O)COCCOC	233800304	VLVXDSKZKVUOKQ-GFCCVEGCSA-N	269.341	1.521	10	20	CDCD	
CC(C)OCCCNC(=O)c1cccc(O)c1O	188911214	XZMKZTNTOOWIOB-UHFFFAOYSA-N	253.298	1.643	10	20	CDCD	
CCN1C[C@@H](NCc2cccc(Cl)c2O)CC1=O	391532714	KOCPKWYDNXAECX-JTQLQIEISA-N	268.744	1.756	10	20	CDCD	
COc1ccc(CNC[C@H](OC)C2CC2)c(O)c1	393506145	XDXGIBYHSVRGMW-AWEZNQCLSA-N	251.326	1.915	10	20	CDCD	
C[C@@H](NCCCOCCO)c1ccc(F)c(F)c1O	187910304	ZHFRSTJKDZKMRS-SECBINFHSA-N	275.295	1.720	10	20	CDCD	
CCOC(=O)C(C)(C)C(=O)N(C)Cc1ccccc1O	131130092	CCMUBPNHNNZNSN-UHFFFAOYSA-N	279.336	1.940	10	20	CDCD	
Cc1cc(C(=O)NCC(C)(C)O)c(C)n1-c1ccccn1	75238448	SKSYFLRJNROKKT-UHFFFAOYSA-N	287.363	1.990	10	20	CDCD	
Cc1cccc(CN(C)CC(=O)NC(C)C)c1O	124519343	BGQLKKUVGCWJSM-UHFFFAOYSA-N	250.342	1.657	10	20	CDCD	
COC[C@@H](C)CNC(=O)NCc1ccc(N(C)C)c(F)c1	195200914	LTDROKYQSYSJDJ-NSHDSACASA-N	297.374	1.973	10	20	CDCD	
CC[C@@H](N)C(=O)NC1CCN(c2ccc(OC)cc2)CC1	130457088	PBKFOQKUGUAKKM-OAHLLOKOSA-N	291.395	1.518	10	20	CDCD	
CCOc1cccc(CN[C@H](C)CC(N)=O)c1O	161577124	AVJMEIJIJOQEQJ-SECBINFHSA-N	252.314	1.144	10	20	CDCD	
COC[C@H](O)CCNCc1ccc(N2CCOCC2)cc1	231607754	HWQFNUORJHOCKX-MRXNPFEDSA-N	294.395	1.010	10	20	CDCD	
CCN(CC(=O)NC)Cc1cc(Cl)cc(C(C)=O)c1O	50143231	SBVGWGUJYSPKPO-UHFFFAOYSA-N	298.770	1.816	10	20	CDCD	
C[C@H]1CN(c2ccc(CNC(=N)N)cc2F)C[C@H](C)O1	263979417	QQLLDCKTHVEGPM-UWVGGRQHSA-N	280.347	1.422	10	20	CDCD	
CN(CC(=O)OC(C)(C)C)C(=O)c1cccc(O)c1O	274930926	AXRPJXXZDHPUND-UHFFFAOYSA-N	281.308	1.512	10	20	CDCD	
COc1cc(O)c(CN[C@]2(CCO)CCOC2)cc1OC	278703704	NXHIGCAAFSWGPU-OAHLLOKOSA-N	297.351	1.041	10	20	CDCD	
CN(C)c1ccc(CN2C(=O)CN(C3CC3)C2=O)cc1	272141847	SZLOZVUFKBAWRD-UHFFFAOYSA-N	273.336	1.679	10	20	CDCD	
CC(C)[C@H](O)C(=O)N1CCOc2cc(N(C)C)ccc21	292059569	ZFKLBNDBNDWSIP-AWEZNQCLSA-N	278.352	1.495	10	20	CDCD	
CC(C)N1C[C@H](N[C@@H]2CCc3cccc(O)c32)CC1=O	296840442	MYAKHTLQNMFXHD-CHWSQXEVSA-N	274.364	1.978	10	20	CDCD	
CC[C@@H](CNS(C)(=O)=O)N[C@H]1CCc2cccc(O)c21	296584770	UPXCAMUMQGCSLQ-RYUDHWBXSA-N	298.408	1.297	10	20	CDCD	
C[C@H]1CN(Cc2cccc(Cl)c2O)CC(=O)N1	295137443	ZHJTYKLIRGQJHU-QMMMGPOBSA-N	254.717	1.366	10	20	CDCD	
O=C(NCc1ccccc1O)c1cccc2nc(O)[nH]c12	816912437	XXYHTIKSJRIFOR-UHFFFAOYSA-N	283.287	1.904	10	20	CDCD	
OCCn1cc(NCc2cc(Cl)c(F)cc2O)cn1	816559830	WHGUPJFCIDDCOI-UHFFFAOYSA-N	285.706	1.986	10	20	CDCD	
CC[C@@H]1CN(C)CCN1C(=O)c1cccc(O)c1O	818972850	ZPVCJIXUHVDAJR-SNVBAGLBSA-N	264.325	1.264	10	20	CDCD	
COc1ccc(N2CC[C@H](CN[C@@H](C)CC(N)=O)C2)cc1	818345922	YCZBHTOQWBCXKV-QWHCGFSZSA-N	291.395	1.375	10	20	CDCD	
CC(=O)C(=O)CS(=O)(=O)c1ccc(Cl)cc1Cl	814796979	YWCQRLLTTKPBAV-UHFFFAOYSA-N	295.143	1.925	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)c2cnc[nH]2)c1	728979491	WNFONZQQLDZSTE-QMMMGPOBSA-N	261.281	1.615	10	20	CDCD	
COC[C@]1(CO)CCN(Cc2cccc(C)c2O)C1	825158512	NMHMXMUSBBNCBT-OAHLLOKOSA-N	265.353	1.531	10	20	CDCD	
COc1cccc(CNC[C@H]2CCOC[C@H]2OC)c1O	824707936	BSVDOEPSPAEGPS-BXUZGUMPSA-N	281.352	1.542	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@H]2C[C@]23CCNC3)cc1	825973798	QONVZUPWGSMPNG-HOCLYGCPSA-N	273.380	1.368	10	20	CDCD	
O=C(NCCC(=O)N1CCCCC1)c1cc(O)cs1	731871379	FIRQYAASJYWRPT-UHFFFAOYSA-N	282.365	1.586	10	20	CDCD	
COCCCC(=O)NC[C@@H](N)c1ccc(N(C)C)cc1	832274525	UUKBGMKHFNDXNY-CQSZACIVSA-N	279.384	1.295	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1cnn(C)c1	734468303	UDBWOUFFCOCVRB-UHFFFAOYSA-N	272.352	1.725	10	20	CDCD	
CC[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C(OC)OC	834419612	ZTBPTWAWUXZJLT-IOCXFXADSA-N	295.335	1.625	10	20	CDCD	
Cc1nonc1CC(=O)N[C@@H](C)c1ccc(N(C)C)cc1	845956555	JGKXMQHHSFQZEP-JTQLQIEISA-N	288.351	1.864	10	20	CDCD	
COC(=O)C12CC(C(=O)NCc3ccc(O)cc3O)(C1)C2	910944031	JKNOTCUSOZMTRL-UHFFFAOYSA-N	291.303	1.057	10	20	CDCD	
CCc1cccc(CN[C@H]2CCCN(CCCO)C2)c1O	848913734	COQHYGAMUZFTKN-INIZCTEOSA-N	292.423	1.891	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)[C@H]1C[C@@]12CCOC2	910947868	PWXHVEFXPOEWBQ-BXUZGUMPSA-N	263.293	1.141	10	20	CDCD	
Cc1cc(Br)cc(CN[C@@H]2CCNC2)c1O	841044802	IKHJNRCHKDVEKK-LLVKDONJSA-N	285.185	1.915	10	20	CDCD	
COC(=O)[C@@H]1C[C@H](O)CN(Cc2cc(Cl)ccc2O)C1	843434075	HILLEPDRPNYLKJ-PWSUYJOCSA-N	299.754	1.401	10	20	CDCD	
COc1cccc([C@H](C)NC[C@]2(O)CCO[C@H]2C)c1O	846166620	BCLFWEPJFYLYQZ-ZIBATOQPSA-N	281.352	1.591	10	20	CDCD	
CCOc1ccc(CNCC2(N(C)C)CC2)c(O)c1	841890787	FLLSGWNLGVIHHP-UHFFFAOYSA-N	264.369	1.975	10	20	CDCD	
CNC(=O)[C@H](C)CN(C)Cc1ccc(N(C)C)cc1C	840922166	JMTHETFMYMHDOP-CYBMUJFWSA-N	277.412	1.875	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)C[C@@H](N)C1CC1	844191447	WBLBQDMIUXIOAY-CYBMUJFWSA-N	289.379	1.605	10	20	CDCD	
CCN1CCC[C@@H]1CNC(=O)NCc1ccccc1O	745790132	UYNJCPAPGPFXAR-CYBMUJFWSA-N	277.368	1.676	10	20	CDCD	
CNC[C@@H]1CCCN(Cc2cccc(F)c2O)C1	843044996	PFWYXRNTHUELNE-NSHDSACASA-N	252.333	1.963	10	20	CDCD	
CCOc1ccc(CN[C@@H](CN)C2CC2)c(O)c1	841029203	VWCPQUXPTRDPDP-ZDUSSCGKSA-N	250.342	1.618	10	20	CDCD	
CC[C@@H](CN1CCOCC1)NC(=O)c1cc(O)cs1	928647028	HZDVJJUCMSJUAH-JTQLQIEISA-N	284.381	1.294	10	20	CDCD	
CCN(CC)C(=O)CNCc1cc(F)c(N(C)C)cc1F	858108636	DDRWARZTFVXVRA-UHFFFAOYSA-N	299.365	1.989	10	20	CDCD	
CN1CC[C@]2(CCCN(C(=O)c3cccc(O)c3O)C2)C1	854734670	AWGWUMLRHIUUIW-MRXNPFEDSA-N	290.363	1.656	10	20	CDCD	
COc1ccc(N(C)CCN(C)C(=O)[C@H]2C[C@H](N)C2)cc1	852896085	RVRPOVBSOWILMC-JOCQHMNTSA-N	291.395	1.327	10	20	CDCD	
CC(C)NCC(=O)NCc1ccc(N2CCOCC2)cc1	852793998	KBFCXHISVOVWTO-UHFFFAOYSA-N	291.395	1.137	10	20	CDCD	
Cc1noc([C@H](C)OC(=O)c2cccc(O)c2O)n1	758572864	OANYVDCYZRRSKY-LURJTMIESA-N	264.237	1.707	10	20	CDCD	
C[C@@H](NC(=O)N[C@@H]1CCCN(C)C1=O)c1ccccc1O	868376624	GAHYZHWLCHCOOC-ZYHUDNBSSA-N	291.351	1.373	10	20	CDCD	
CCN(C)c1ccc(CN2C[C@@H](C(=O)O)O[C@H](C)C2)cc1	863475305	WOJFNLJYSZZJCY-DOMZBBRYSA-N	292.379	1.817	10	20	CDCD	
COC/C=C/C(=O)NCc1ccc(OC)cc1O	867955413	ABARGJJDBJHKSC-ONEGZZNKSA-N	251.282	1.220	10	20	CDCD	
C[C@@H](CCN1CCN(C)CC1)NC(=O)c1cc(O)cs1	771742929	HCHGSESWSRFZRZ-NSHDSACASA-N	297.424	1.210	10	20	CDCD	
COc1ccc(O)c(CNC(=O)NCc2ncoc2C)c1	775433461	BYXCIODGDOXLLA-UHFFFAOYSA-N	291.307	1.697	10	20	CDCD	
C[C@H]1C[C@@H](C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)CO1	784462403	GOQYFPOSYBUVAT-JFGNBEQYSA-N	279.336	1.570	10	20	CDCD	
CON(C)C(=O)[C@@H](C)NCc1cc(F)cc(F)c1O	883192404	YTYAWQOESDWNMM-SSDOTTSWSA-N	274.267	1.168	10	20	CDCD	
C[C@H](O)C[C@H]1CCCN1C(=O)NCc1ccc(N)cc1	1120677144	LEIZKPZSCSLPCG-SMDDNHRTSA-N	277.368	1.714	10	20	CDCD	
O=C(CSC(F)F)OCC(=O)c1ccc(O)c(O)c1	782482221	HLRVMNJECMFXDB-UHFFFAOYSA-N	292.259	1.780	10	20	CDCD	
COc1cc(C)cc(CNC[C@@H](CO)[C@H]2CCOC2)c1O	894643676	RYYIWVKPUVDHCM-JSGCOSHPSA-N	295.379	1.444	10	20	CDCD	
COc1ccc(CNCCOCCF)c(O)c1OC	895482771	XIRZTCCGXPTNFN-UHFFFAOYSA-N	273.304	1.485	10	20	CDCD	
COc1ccc(CN2CCCN(C)CC2)c(O)c1OC	891391639	BAHHQQGCCDVGAS-UHFFFAOYSA-N	280.368	1.547	10	20	CDCD	
COc1ccc2c(c1)CCCN2C[C@H]1CCS(=O)(=O)C1	789284548	KWAJLOTTXKOVCK-GFCCVEGCSA-N	295.404	1.883	10	20	CDCD	
COc1cc(C)cc(CNC[C@H](O)COCC2CC2)c1O	894218159	JFIVAZQHSWEZPS-AWEZNQCLSA-N	295.379	1.586	10	20	CDCD	
COc1cc(C)cc(CNC[C@H](C)CCO)c1O	894309402	JTFZEGVJMCBVHZ-SNVBAGLBSA-N	253.342	1.817	10	20	CDCD	
Nc1ccc(CN(CCO)C2CCOCC2)cc1	1352791208	VZXWMZZBARKYFM-UHFFFAOYSA-N	250.342	1.242	10	20	CDCD	
O=C(c1cccc(O)c1O)N1C[C@H]2CC[C@H]1[C@H](O)C2	899760876	RJEGHBYKMCHMOT-PTOFAABTSA-N	263.293	1.083	10	20	CDCD	
CS[C@@H](CO)[C@@H](C)NCc1ccc(N(C)C)cc1	219057566	JWVBYFWIJHJNMB-RISCZKNCSA-N	268.426	1.955	10	20	CDCD	
CN1CCN(c2ccc(CN(C)CCCN)cc2F)CC1	1327819424	RPBJRSBOKMTVEW-UHFFFAOYSA-N	294.418	1.358	10	20	CDCD	
CN1CCN(Cc2cc(F)cc(F)c2O)C(C)(C)C1=O	1331532406	VVGMABHLJYOHTH-UHFFFAOYSA-N	284.306	1.723	10	20	CDCD	
Cc1ccc(O)c(CNC[C@@H]2CN3CCC[C@@H]3CO2)c1	78638619	MNKSUBBOFJJVEM-HUUCEWRRSA-N	276.380	1.653	10	20	CDCD	
CN1CCCc2cc(CNC(=O)c3cc(O)ncn3)ccc21	1331335208	UXFUXMYSBYQJHP-UHFFFAOYSA-N	298.346	1.495	10	20	CDCD	
C[C@@H](N)[C@H]1CCCCN1C(=O)NCc1ccc(N)cc1	1337020185	ZPHBSQIICFECHO-BXUZGUMPSA-N	276.384	1.680	10	20	CDCD	
CCOC(C)(C)CNC(=O)NCc1ccc(N)cc1	1338595829	OFTQVOSEDONYDL-UHFFFAOYSA-N	265.357	1.883	10	20	CDCD	
CN(C(=O)c1cnc(C2CC2)nc1N)c1ccc(N)cc1	1342238514	GDZBCEGACROOAF-UHFFFAOYSA-N	283.335	1.795	10	20	CDCD	
O=C(O)[C@@]1(O)CCN(Cc2c(O)ccc(Cl)c2F)C1	1601722759	UYKDNOWYAZKIGI-GFCCVEGCSA-N	289.690	1.206	10	20	CDCD	
Cc1cc(C(=O)O)oc1C(=O)NCc1ccccc1O	1600133640	YXTIZHIHCCPJTA-UHFFFAOYSA-N	275.260	1.922	10	20	CDCD	
CN(CC(=O)NC(C)(C)C)c1ccc(OCC(=O)O)cc1	1610108842	GCQOESBEELYXGH-UHFFFAOYSA-N	294.351	1.501	10	20	CDCD	
O=C(O)C[C@H](NCc1c(O)ccc(Cl)c1F)C(=O)O	1611501739	XIINNIAQXNYBBX-ZETCQYMHSA-N	291.662	1.202	10	20	CDCD	
CC(C)OC[C@H](C(=O)O)N(C)C(=O)c1cc(O)cs1	1591710249	WUYSHSQFZMXMIB-SECBINFHSA-N	287.337	1.404	10	20	CDCD	
CC[C@@H](N)CN[C@@H](C)c1cc(C(=O)O)ccc1O	1595222224	CCOLTUJUHJCXTR-WCBMZHEXSA-N	252.314	1.478	10	20	CDCD	
CNC(=O)CN(C)Cc1ccc(N2CCCCC2)cc1	15571556	VZYJVZXZRSXJCY-UHFFFAOYSA-N	275.396	1.855	10	20	CDCD	
COC(=O)C[C@H](C)C(=O)N(C)Cc1ccccc1O	160864605	NJOYGNVXTQCGKI-JTQLQIEISA-N	265.309	1.550	10	20	CDCD	
Cc1ccc(O)c(CN(C)CCS(C)(=O)=O)c1	156086015	GROBSXUDNJKYER-UHFFFAOYSA-N	257.355	1.177	10	20	CDCD	
COc1ccc(Br)c(CNCC(=O)O)c1O	1777349314	ZARWCQCGWIUPIV-UHFFFAOYSA-N	290.113	1.338	10	20	CDCD	
COc1ccc(O)c([C@H](C)NCc2cn(C)cn2)c1	851899914	KCCZGUARINMMNL-JTQLQIEISA-N	261.325	1.985	10	20	CDCD	
CN1CCC(C)(CNC(=O)c2cccc(O)c2O)CC1	226355914	QYJKEHDRQXXEGI-UHFFFAOYSA-N	278.352	1.560	10	20	CDCD	
CC(C)N1CCN(Cc2cc3c(cc2O)OCO3)CC1	26646214	ZDTRWUGBWCJHDY-UHFFFAOYSA-N	278.352	1.647	10	20	CDCD	
COc1cccc(CNCc2c(C)cnn2C)c1O	289400922	GNGPRXGLPWQRCY-UHFFFAOYSA-N	261.325	1.733	10	20	CDCD	
CCOc1cccc(CN[C@@H]2CCS(=O)(=O)[C@@H]2C)c1O	313235143	TYQPEGWFSBBHLQ-ZYHUDNBSSA-N	299.392	1.456	10	20	CDCD	
C[C@@H](NCc1ccc2c(c1)CCO2)c1cn(C)nn1	720538051	XQKOGMBHKPHGCK-SNVBAGLBSA-N	258.325	1.601	10	20	CDCD	
CC(=O)N[C@H](C)C(=O)NCc1ccc(N2CCCC2)cc1	28046607	PVNSTUIURVKIRP-GFCCVEGCSA-N	289.379	1.428	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CCCOC1	173205185	AGODHPYGDNYHMC-GFCCVEGCSA-N	290.363	1.905	10	20	CDCD	
COc1cc(O)c(CN2CCC(O)CC2)cc1OC	179584941	CFCRTPYOHPNGQZ-UHFFFAOYSA-N	267.325	1.366	10	20	CDCD	
Cn1ccc(N2CCC[C@@H](NCc3ccc(N)cc3)C2=O)n1	1262488333	YRLAVNYMWAGRCW-CQSZACIVSA-N	299.378	1.288	10	20	CDCD	
COc1ccc(N2CCC(N[C@H](C)CO)CC2)cc1	129337298	CXYHUSJZUVYDJU-GFCCVEGCSA-N	264.369	1.634	10	20	CDCD	
O=C(O)[C@H]1CN(C(=O)c2cccc(O)c2O)c2ccccc21	318764211	LPVLIVDPXYRUCZ-NSHDSACASA-N	299.282	1.926	10	20	CDCD	
Cc1c(NC(=O)Cc2ccc(N)cc2)cccc1C(N)=O	37023624	XWJYLVFZNNIKHI-UHFFFAOYSA-N	283.331	1.857	10	20	CDCD	
Cn1ncc(C(=O)NCCCSc2nccs2)c1N	181219327	XYLSINYHVLITCO-UHFFFAOYSA-N	297.409	1.371	10	20	CDCD	
C[C@H](NC[C@H](C)N1CCN(C)CC1)c1ccccc1O	183496216	GBZVBGLZJFEGNF-KBPBESRZSA-N	277.412	1.679	10	20	CDCD	
O=C(NCc1c(O)ccc2c1CCCC2)C1CCNCC1	238145600	QSLUUFQBFNEEBO-UHFFFAOYSA-N	288.391	1.887	10	20	CDCD	
CCOc1cccc(CN2CC[C@H](CO)C2)c1O	92763730	SIRFXFRDQGYCDL-NSHDSACASA-N	251.326	1.605	10	20	CDCD	
CCOc1cccc(CN2CCC3(C2)OCCO3)c1O	93013199	NMHRISWEETXCRW-UHFFFAOYSA-N	279.336	1.740	10	20	CDCD	
CC(C)OCC(=O)N1CCOc2cc(N(C)C)ccc21	266325873	IKEZZWAYBCWWJO-UHFFFAOYSA-N	278.352	1.903	10	20	CDCD	
CO[C@H]1CCCN(C(=O)c2c(F)ccc(O)c2O)C1	276652432	ZFCQGBWZFITZDN-QMMMGPOBSA-N	269.272	1.488	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCOC1	273224481	VYICZHJYFBLPHO-KOLCDFICSA-N	265.309	1.182	10	20	CDCD	
CCO[C@@H]1C[C@H](NC(=O)c2ccc(C)c(O)c2O)[C@H]1OC	275230514	FCIZAKONGVMFPA-MISXGVKJSA-N	295.335	1.328	10	20	CDCD	
O=C(O)c1cc(O)ccc1NS(=O)(=O)CCC1CC1	274903478	INRFPEGZUAGXCW-UHFFFAOYSA-N	285.321	1.632	10	20	CDCD	
COC[C@@H](NC(=O)c1ccc(C)c(O)c1O)[C@@H]1CCCO1	279340000	DUXGCXKYUXSPMX-NEPJUHHUSA-N	295.335	1.330	10	20	CDCD	
C[C@H]1OCC[C@]12CN(Cc1cc(F)ccc1O)CCO2	377274165	WMDXVXKXJLEZRS-ABAIWWIYSA-N	281.327	1.911	10	20	CDCD	
Cc1ccc(C(=O)N2CCOC[C@@]23CCOC3)c(O)c1O	282348715	YASSCTMJGLEKPU-HNNXBMFYSA-N	293.319	1.038	10	20	CDCD	
CCOc1ccc(O)c(CN(CC)[C@@H]2CCNC2=O)c1	281865074	VSHCYJOZZIJCPY-CYBMUJFWSA-N	278.352	1.501	10	20	CDCD	
CC(C)(C)OC(=O)CCNC(=O)c1c(F)ccc(O)c1O	295773416	IQFGZCXIGGFUJD-UHFFFAOYSA-N	299.298	1.699	10	20	CDCD	
CC[C@H](NCCN1CCNCC1)c1ccccc1O	817944517	FMGVNNHBIJSDCU-AWEZNQCLSA-N	263.385	1.338	10	20	CDCD	
Cc1nccc(CCC(=O)NCc2ccc(O)c(O)c2)n1	815835900	IXUFZWLLSZWRPB-UHFFFAOYSA-N	287.319	1.445	10	20	CDCD	
Nc1ccc(NC(=O)N2CCC[C@@H](n3ccnn3)C2)cc1	818635153	FCNIICIEXNERSI-CYBMUJFWSA-N	286.339	1.729	10	20	CDCD	
C[C@@H]1CCNCC[C@H]1NC[C@@H](N)c1ccc(N(C)C)cc1	817943011	SMWQORKTUNKDNX-KBRIMQKVSA-N	290.455	1.730	10	20	CDCD	
C[C@H](NC[C@@H]1CNCCO1)c1cc(F)ccc1O	817984173	VRSXNSNVKIMKKC-ONGXEEELSA-N	254.305	1.170	10	20	CDCD	
CCN(CC)C[C@H](C)NC(=O)NCc1ccccc1O	726243577	ASDSPYYMRJRSRW-LBPRGKRZSA-N	279.384	1.922	10	20	CDCD	
NC(=O)[C@H]1CCCN1Cc1ccc(Br)cc1O	826063938	ASNYAIAMPUIXID-SNVBAGLBSA-N	299.168	1.604	10	20	CDCD	
Cc1cc(O)c(CN2C[C@H](CO)OC[C@H]2C)cc1Cl	824934035	OEVYFTBVTHBKEW-ZYHUDNBSSA-N	285.771	1.936	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CC2(CN)CC2)cc1F	827901531	PIVYVPINKZKOLW-UHFFFAOYSA-N	279.359	1.637	10	20	CDCD	
COC(=O)[C@H]1C[C@H](NCc2ccc3c(c2)CCO3)C1	827812627	SGPJPZWZEFVEAE-JOCQHMNTSA-N	261.321	1.663	10	20	CDCD	
COc1ccc(N2CCC(N[C@H]3C[C@@H](O)C3)CC2)cc1	825256809	IMOWNBKAHHAHMZ-OTVXOJSOSA-N	276.380	1.777	10	20	CDCD	
COC(=O)[C@H]1C[C@@H](NCc2ccc(N(C)C)cc2)C1	827500571	DDVQIKIBDCUOPO-BETUJISGSA-N	262.353	1.794	10	20	CDCD	
COc1ccc(O)c(CNC(=O)COC[C@H]2CCCO2)c1	734018695	CZHOVXCWSABDPH-CYBMUJFWSA-N	295.335	1.213	10	20	CDCD	
COc1ccc(O)c(CNC(=O)NC[C@H]2CC[C@@H](C)O2)c1	838475300	YKSGRTLPEIGTDC-ZWNOBZJWSA-N	294.351	1.768	10	20	CDCD	
COc1cc(O)c(CN2C[C@H](C)[C@@H](C(=O)O)C2)cc1OC	833729345	LIJKNYWZOHNAJT-ONGXEEELSA-N	295.335	1.562	10	20	CDCD	
C[C@H]1CN(C(=O)c2cc(O)cs2)Cc2c[nH]nc21	913584369	DNBCPSGJPPBMKB-ZETCQYMHSA-N	263.322	1.936	10	20	CDCD	
CNC[C@H]1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2O)C1	843052990	SCMYAICDAHZKFM-SNVBAGLBSA-N	295.339	1.350	10	20	CDCD	
CCOC(=O)[C@@H](C)[C@H](C)NC(=O)Cc1ccc(N)cc1	843494747	WYIXDDSQMOHXAF-QWRGUYRKSA-N	278.352	1.515	10	20	CDCD	
CCc1cccc(CN2CCOC[C@H]2CC(=O)OC)c1O	848912833	XLVWJAQFURMVHW-CQSZACIVSA-N	293.363	1.719	10	20	CDCD	
COC(=O)[C@@H]1C[C@@H](O)CN(Cc2cc(C)c(C)cc2O)C1	843433836	DZSRJBXOVYCMKW-ZIAGYGMSSA-N	293.363	1.365	10	20	CDCD	
CCc1cccc(CN2CCC[C@@H](OCCO)C2)c1O	848884587	NSZDXHSREYFDHG-OAHLLOKOSA-N	279.380	1.928	10	20	CDCD	
NC(=O)CSc1nnc(Sc2nccs2)s1	914863455	VKBKJZVBUPKBNX-UHFFFAOYSA-N	290.420	1.723	10	20	CDCD	
COC[C@@]1(CNCc2cc(F)ccc2O)CCCN1	841067286	MWCSPUYLGFHQAX-AWEZNQCLSA-N	268.332	1.390	10	20	CDCD	
O=C(NCc1ccccc1O)c1ccc2nc[nH]c2n1	755515592	NIYLNCHMXCZRPG-UHFFFAOYSA-N	268.276	1.594	10	20	CDCD	
CCC(CC)NC(=O)[C@@H](C)OC(=O)c1cccc(O)c1O	758558147	NUAFKJFYJNDPSF-SECBINFHSA-N	295.335	1.948	10	20	CDCD	
CCCN[C@H]1C[C@H](NC(=O)c2cc(OC)nc(OC)c2)C1	1020352270	GGOKLDDHRLBCEA-HAQNSBGRSA-N	293.367	1.359	10	20	CDCD	
C[C@H](CCNC(=O)c1c(F)ccc(O)c1O)N(C)C	857308233	LHWKJIKYJTVILQ-MRVPVSSYSA-N	270.304	1.307	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)c1cnn2ncccc12	765985133	FBCUKEYNJAUCMF-UHFFFAOYSA-N	298.302	1.113	10	20	CDCD	
C[C@@H](NC(=O)NCc1cn(C)nn1)c1ccccc1O	868490577	CCWBTMHVIKBLDU-SECBINFHSA-N	275.312	1.081	10	20	CDCD	
CN(C(=O)[C@@H]1C[C@H]1C1CCNCC1)c1ccc(N)cc1	877077695	RFVFDJAIHUVQPV-LSDHHAIUSA-N	273.380	1.867	10	20	CDCD	
Cc1cc(C(=O)O[C@@H]2CNC(=O)C2)c(C)n1-c1ccccn1	770839318	ZVWWILICLLVBSJ-LBPRGKRZSA-N	299.330	1.534	10	20	CDCD	
CCN1CCN(Cc2cc(OC)c(OC)cc2O)C[C@H]1C	775686341	IHXHJTYVLDTXHA-GFCCVEGCSA-N	294.395	1.935	10	20	CDCD	
COC[C@H](NCc1cc(Cl)ccc1O)C(=O)OC	789577531	VTBJVFSSYVFLSY-JTQLQIEISA-N	273.716	1.323	10	20	CDCD	
COc1cc(O)c(CN[C@H](C)C[C@H](C)O)cc1OC	783602426	LDDDMISUUNORGG-ZJUUUORDSA-N	269.341	1.658	10	20	CDCD	
Cc1ccc(O)c(CN2CCN(CCO)C(C)(C)C2)c1	783715132	HLRGPSQWMWRLLV-UHFFFAOYSA-N	278.396	1.589	10	20	CDCD	
COc1cc(C)cc(CN2CCc3nn[nH]c3C2)c1O	895355056	XCJXSTFKBAKNOM-UHFFFAOYSA-N	274.324	1.386	10	20	CDCD	
C[C@H]1C[C@H](NC(=O)NCc2cc(Cl)ccc2O)C(=O)O1	896367966	VUCYWLCHVMCXGS-XVKPBYJWSA-N	298.726	1.549	10	20	CDCD	
C[C@@H](N[C@@H]1CC(=O)N(C)C1)c1cc(F)ccc1O	273580540	MOGRIWUIKKVVJM-PSASIEDQSA-N	252.289	1.413	10	20	CDCD	
CN(C)c1ccc(CNc2nccn3cnnc23)cc1	735918502	NFTRPAOSOIGDPV-UHFFFAOYSA-N	268.324	1.802	10	20	CDCD	
COCCN(CCOC)Cc1cc(OC)ccc1O	133414735	YEADORAXCHNHPT-UHFFFAOYSA-N	269.341	1.496	10	20	CDCD	
Nc1ccc(CC(=O)N2C[C@H]3CCC[C@@]3(N)C2)cc1	1328918092	IFHZPPQVANNTJO-IUODEOHRSA-N	259.353	1.151	10	20	CDCD	
CC(C)(N)CCNC(=O)NCc1ccc(N)cc1	1335592710	TVLBVGQFEZXRRG-UHFFFAOYSA-N	250.346	1.195	10	20	CDCD	
CC(C)c1ccc(O)c(CN2CCC[C@@H](O)[C@@H]2C(=O)O)c1	1604002782	NJZIEYYYIOPNKK-HUUCEWRRSA-N	293.363	1.926	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H](CC1CC1)C(=O)O	1601239278	WFYPSEUWOFWKST-MALLOTDXSA-N	291.303	1.481	10	20	CDCD	
COc1cccc(O)c1CNC[C@@H](C(=O)O)C(C)C	1604871511	RQMQDLCPALXBGK-SNVBAGLBSA-N	267.325	1.847	10	20	CDCD	
CN(C)c1ccc(/C=C\CNC[C@]2(O)CCNC2)cc1	1578425862	PPCYEJATVQIHQD-MJSXRHKHSA-N	275.396	1.080	10	20	CDCD	
N[C@@H]1CCC[C@@H]2CN(C(=O)Cc3ccc(O)c(O)c3)C[C@@H]21	1580175913	JTTNVVUOIDWYMA-FRRDWIJNSA-N	290.363	1.226	10	20	CDCD	
C[C@H](CNCc1ccc2c(c1)CCO2)[C@@H](F)C(=O)O	1776425510	AUEOQXXYIPDPDH-NOZJJQNGSA-N	267.300	1.770	10	20	CDCD	
CCCC(=O)N1CCC[C@H]1C(=O)Nc1ccc(N)cc1	160336854	RCIYLGRWHFIWEC-ZDUSSCGKSA-N	275.352	1.998	10	20	CDCD	
C[C@H](NC(=O)[C@H]1C[C@H](C)CCN1)c1ccccc1O	877255871	JBTJXIMWSUZDSS-NTZNESFSSA-N	262.353	1.958	10	20	CDCD	
C[C@H](Cn1ccnc1)NCc1cc2c(cc1O)OCO2	42880088	SWZXYVCPMIYEMP-SNVBAGLBSA-N	275.308	1.496	10	20	CDCD	
CS(=O)(=O)C1(CNCc2cc(F)ccc2O)CC1	279725858	VEJVNZPXLORROS-UHFFFAOYSA-N	273.329	1.198	10	20	CDCD	
CCc1cccc(CN[C@@H](C)C(=O)NC(C)C)c1O	691434166	ARPVMEFWLDNIED-NSHDSACASA-N	264.369	1.957	10	20	CDCD	
CNCCN(C(=O)c1cccc(O)c1O)C(C)C	720818817	FMTKYBVAQYOPIN-UHFFFAOYSA-N	252.314	1.168	10	20	CDCD	
Cc1ccc(O)c(CN[C@H](CO)C[C@H]2CCCO2)c1	886225833	CIDIRKCLKDEAGU-UONOGXRCSA-N	265.353	1.720	10	20	CDCD	
OC[C@@H](C[C@H]1CCCO1)NCc1ccccc1O	886229553	ROCAYSMPNDEALI-CHWSQXEVSA-N	251.326	1.412	10	20	CDCD	
CCOCC(=O)NCc1ccc(N2CCOCC2)cc1	65834789	OYOJQUZBBUBEJS-UHFFFAOYSA-N	278.352	1.176	10	20	CDCD	
CC(=O)c1cc(F)cc(CN[C@@H](C(N)=O)C(C)(C)C)c1O	175655607	CZYGRJXTFLCPPB-ZDUSSCGKSA-N	296.342	1.724	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)CCCC(=O)O	37835663	KSZIGHRCCXBOMM-UHFFFAOYSA-N	251.282	1.606	10	20	CDCD	
COC[C@H](NC(=O)c1ccc(C)c(O)c1O)C1CC1	182886397	VMFHPQMYHWHXKG-NSHDSACASA-N	265.309	1.561	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)Nc1ncccc1O	180992164	ZPVMLESMCGQYJT-GQCTYLIASA-N	272.260	1.850	10	20	CDCD	
CC(C)CNC(=O)CNCc1cccc(Cl)c1O	135777343	HRTOCMCWYXBUOB-UHFFFAOYSA-N	270.760	1.907	10	20	CDCD	
CC(C)[C@H](NCc1ccc(N2CCOCC2)cc1)C(=O)O	43430160	BQHNCZNYRGZMGM-HNNXBMFYSA-N	292.379	1.722	10	20	CDCD	
CSc1ccccc1NC=C1C(=O)NC(=S)NC1=O	48403119	PVHAVRFZOPIARK-UHFFFAOYSA-N	293.373	1.235	10	20	CDCD	
NC(=O)CSc1ccccc1C(=O)N1CCSCC1	49213939	ACOCSVKMDYPKAI-UHFFFAOYSA-N	296.417	1.453	10	20	CDCD	
Cc1ccc(O)c(CN2CCC[C@H]2CN2CCOCC2)c1	92218372	FIVFFBYWGXQOFZ-INIZCTEOSA-N	290.407	1.997	10	20	CDCD	
Cn1c(-c2ccccc2)cnc1SCc1n[nH]c(=O)[nH]1	92870099	XTEJBUAANMIAAF-UHFFFAOYSA-N	287.348	1.791	10	20	CDCD	
O=C1CC[C@H](C(=O)NCc2ccc(N3CCCC3)cc2)N1	264423458	UMPDVZDJEMBXFU-CQSZACIVSA-N	287.363	1.182	10	20	CDCD	
COC(=O)CSCCNC(=O)NCc1ccccc1O	264248667	FSAKSRNJEFKMCK-UHFFFAOYSA-N	298.364	1.098	10	20	CDCD	
CC(=O)NCCCN[C@@H](C)c1cc([N+](=O)[O-])ccc1O	273437105	XIWXZMQPRATTKM-VIFPVBQESA-N	281.312	1.477	10	20	CDCD	
Cc1ccc(C(=O)N2CCOC[C@]23CCOC3)c(O)c1O	282348720	YASSCTMJGLEKPU-OAHLLOKOSA-N	293.319	1.038	10	20	CDCD	
O=C1CC[C@H](NCc2cccc(F)c2O)C2(CCC2)N1	282840879	COXIWENCOVPEOJ-LBPRGKRZSA-N	278.327	1.822	10	20	CDCD	
C[C@@H](CN(C)C)NC(=O)NCc1ccc(N(C)C)cc1	289171522	XMWMEYZIIIPEKN-LBPRGKRZSA-N	278.400	1.502	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc(OC)no1	808093870	XCHOLAHHEZLRKH-UHFFFAOYSA-N	297.307	1.805	10	20	CDCD	
CSCC[C@H](NCc1ccccc1O)C(=O)N(C)C	808439050	VGODAZMDSAIEBM-LBPRGKRZSA-N	282.409	1.692	10	20	CDCD	
CC[C@@H](CO)N(C)C(=O)NCc1ccc(N(C)C)cc1	296255375	LIXTUPUDYUOPHH-ZDUSSCGKSA-N	279.384	1.665	10	20	CDCD	
CC[C@@H](CS(=O)(=O)Nc1ccc(O)c(C)c1)OC	817356937	ZFSFWBRVRQDDMV-NSHDSACASA-N	273.354	1.867	10	20	CDCD	
COC[C@H](C)[C@H](C)C(=O)NCc1ccc(O)c(O)c1	813491432	XMUVMMCAYVKKPC-UWVGGRQHSA-N	267.325	1.633	10	20	CDCD	
CN(Cc1cc2c(cc1O)OCO2)[C@@H]1CC(C)(C)OC1=O	814181415	ZREJLSMOFJVHPC-SNVBAGLBSA-N	293.319	1.647	10	20	CDCD	
C[C@H](O)CNCc1cc(F)c(N2CCOCC2)c(F)c1	819358290	CGHKKVGYFBRHRT-JTQLQIEISA-N	286.322	1.272	10	20	CDCD	
COCC1(NCc2cc(F)ccc2O)CCOCC1	816625676	KURTVKXIFLLESJ-UHFFFAOYSA-N	269.316	1.817	10	20	CDCD	
C[C@@H](CNCc1ccc(N2CC=CC2)cc1)S(C)(=O)=O	819096814	VDENWXLXHMZSOZ-ZDUSSCGKSA-N	294.420	1.586	10	20	CDCD	
CC(C)[C@@H](NCc1cc([N+](=O)[O-])ccc1O)C(=O)O	820044048	SCKQGCORUJQCMX-LLVKDONJSA-N	268.269	1.499	10	20	CDCD	
Nc1ccc(NCc2ccc(N3CCNCC3)o2)cc1	904353576	NTABZYRVRHVHSI-UHFFFAOYSA-N	272.352	1.884	10	20	CDCD	
C[C@H]1C[C@H](NC(=O)NCCc2ccc(N)cc2)CO1	831178141	KDXXCZDKIBMOLY-GWCFXTLKSA-N	263.341	1.288	10	20	CDCD	
C[C@H](OC(=O)c1cc(O)cs1)C(=O)NC[C@@H]1CCCO1	734190409	WJPBSIGINMNUON-WPRPVWTQSA-N	299.348	1.294	10	20	CDCD	
COC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1cccc(O)c1O	836810308	ABLXRPMIKMNJIU-SCZZXKLOSA-N	279.292	1.169	10	20	CDCD	
CCOc1ccc(CN2CC[C@@H](C(=O)N(C)C)C2)c(O)c1	840956988	CGVKWOGCUICLJE-CYBMUJFWSA-N	292.379	1.701	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@H]2CCCNCC2)c1O	841058991	YIGBCUMZKQTLPM-NSHDSACASA-N	295.339	1.541	10	20	CDCD	
COc1ccc(CNC(=O)C[C@H]2CCC(=O)N2C)c(O)c1	846950870	RYZPBOAZVJEXMJ-LLVKDONJSA-N	292.335	1.028	10	20	CDCD	
O=S(=O)(CCCF)NCc1cc(Cl)ccc1O	845995706	FCTZDVCXXFEPON-UHFFFAOYSA-N	281.736	1.825	10	20	CDCD	
C[C@@H]1OC(=O)N[C@H]1C(=O)NCc1cc(Cl)ccc1O	846474550	UZOXMONYWJQWBU-QUBYGPBYSA-N	284.699	1.159	10	20	CDCD	
COc1cccc([C@@H](C)NC[C@H]2CCCNC2=O)c1O	846170042	VDJXIBUASCTJOY-GHMZBOCLSA-N	278.352	1.578	10	20	CDCD	
CCOC(=O)C[C@H](C)CNC(=O)Cc1ccc(N)cc1	846681059	NRHURFVVANIJOI-NSHDSACASA-N	278.352	1.517	10	20	CDCD	
COc1ccc(N(C)C[C@H](O)COC(C)C)cc1OC	920781319	NMKOWUYNYGIZTH-ZDUSSCGKSA-N	283.368	1.926	10	20	CDCD	
C[C@]1(CNCc2cc3c(cc2O)OCO3)CCCNC1	841056879	JMJJPKMGXPKUMK-HNNXBMFYSA-N	278.352	1.600	10	20	CDCD	
COc1cccc(CNC[C@@H]2C[C@H](F)CN2)c1O	841077590	CCBYLAPVRSILAA-QWRGUYRKSA-N	254.305	1.190	10	20	CDCD	
CCCN1CC(=O)N[C@@H]1c1cccc(OCC)c1O	840822032	JOKGOOCPGLVBEE-AWEZNQCLSA-N	264.325	1.631	10	20	CDCD	
C[C@@H](CCCN)NC(=O)NCc1ccc(N(C)C)c(F)c1	841762029	UEHWXMBVLNJBNC-NSHDSACASA-N	296.390	1.818	10	20	CDCD	
COc1cc(O)c(CN2C[C@@H]3CCC[C@]3(N)C2)cc1OC	857226522	QMLAUKBYTOTMEK-LRDDRELGSA-N	292.379	1.723	10	20	CDCD	
CO[C@@H]1CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)C1	752916922	SSAOHUMSMGGPTQ-GFCCVEGCSA-N	295.358	1.822	10	20	CDCD	
CC(=O)OC1CCN(Cc2cc3c(cc2O)OCO3)CC1	753794576	CFPQGDRMIIJASE-UHFFFAOYSA-N	293.319	1.648	10	20	CDCD	
CC[C@H](C)CS(=O)(=O)NCc1ccc(O)cc1O	867417384	SYCANEUZWYTJMF-VIFPVBQESA-N	273.354	1.563	10	20	CDCD	
O=C(OCC(=O)[C@H]1CCOC1)c1cc(O)cs1	762894184	VFVXKPJQLVKFFZ-ZETCQYMHSA-N	256.279	1.216	10	20	CDCD	
Oc1c(Cl)cccc1CNCCN1CC[C@H](O)C1	862550354	DRNZDVYGHFSVHI-NSHDSACASA-N	270.760	1.202	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)c1cnc(O)n1C	866600463	BFBXCOOIJVDOSJ-UHFFFAOYSA-N	289.335	1.884	10	20	CDCD	
C[C@@H](O)C[C@H]1CCCN1C(=O)c1cc(O)cs1	765143271	MZQTVCLZMTWSLL-RKDXNWHRSA-N	255.339	1.829	10	20	CDCD	
Cc1cn2ccnc(C(=O)NCc3ccccc3O)c2n1	762098030	WDURICRKFGPILV-UHFFFAOYSA-N	282.303	1.673	10	20	CDCD	
CCOc1cccc(CNCC[C@H](C)NC)c1O	1118020329	UUZHFRLMIBKMLR-NSHDSACASA-N	252.358	1.879	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H](CO)C2CC2)c1O	775026972	CSEXBJIVFMFTTB-JTQLQIEISA-N	282.296	1.170	10	20	CDCD	
Cc1cccc(O)c1CN(C)CCNC(=O)N(C)C	877140534	VFXNPSATVXVIDQ-UHFFFAOYSA-N	265.357	1.404	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2ccncn2)cc1	777438311	DLUOYCWSJBBUGN-UHFFFAOYSA-N	256.309	1.473	10	20	CDCD	
CCN(C)c1ccc(CN(C[C@@H](C)O)[C@@H](C)CO)cc1	773887979	KLFZFXBEWTVIRM-UONOGXRCSA-N	280.412	1.706	10	20	CDCD	
CCN(C)c1ccc(CN(C)CC(=O)OC)cc1	773733318	IXHSNFPKQOCJOQ-UHFFFAOYSA-N	250.342	1.748	10	20	CDCD	
O=S(=O)(NCc1ccc(O)cc1O)C1CCC1	882270405	MHYLGVXXJYSZSU-UHFFFAOYSA-N	257.311	1.070	10	20	CDCD	
Cn1cc(-c2n[nH]cc2C(=O)N2CCc3ncccc32)cn1	780941165	UHGDHNHAENRGJZ-UHFFFAOYSA-N	294.318	1.408	10	20	CDCD	
COC[C@H]1CN(Cc2cc(F)cc(F)c2O)C[C@H](C)O1	894531908	BFVQLMULHAPFGF-JOYOIKCWSA-N	287.306	1.906	10	20	CDCD	
CCNC(=O)[C@H](C)NCc1ccc(OC)c(C)c1	35052706	DCYLPXHRHRQTNS-NSHDSACASA-N	250.342	1.618	10	20	CDCD	
COc1ccc(CN(C)C[C@H]2COCCO2)c(O)c1OC	895366118	YJROWVPCQYKYCI-LBPRGKRZSA-N	297.351	1.257	10	20	CDCD	
CC[C@@H](O)[C@H](C)C(=O)NCc1ccc(N(C)C)cc1	899982182	AHSGOAAOYLTKDQ-SMDDNHRTSA-N	264.369	1.776	10	20	CDCD	
C[C@H]1[C@@H](C)N(C)C(=O)[C@@H](C)N1Cc1cc(F)ccc1O	895919382	FSFUWYKTAJSBGN-OUAUKWLOSA-N	280.343	1.971	10	20	CDCD	
Cc1c[nH]nc1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	799719555	PRYPYHVAKMVQCA-SECBINFHSA-N	275.308	1.490	10	20	CDCD	
CN(CC(N)=O)Cc1ccc(Br)cc1O	691732420	HBKQNRFZARDXKR-UHFFFAOYSA-N	273.130	1.072	10	20	CDCD	
CC[C@@H](NC[C@H](O)CN(C)C)c1ccccc1O	717355556	VJEZKOXBXKKGOW-WCQYABFASA-N	252.358	1.355	10	20	CDCD	
COc1cccc(O)c1CN1CCOC[C@@H](C)C1	769455002	DDVAIASVZVRHIM-NSHDSACASA-N	251.326	1.869	10	20	CDCD	
Nc1ccc(CNC(=O)N2CCOC3(CCC3)C2)cc1	1336289935	DSMHBWQPICYIOC-UHFFFAOYSA-N	275.352	1.733	10	20	CDCD	
CO[C@H]1CCCN(c2nnc(-c3sccc3O)n2C)C1	1337956487	KPSMBKCISULBBJ-VIFPVBQESA-N	294.380	1.864	10	20	CDCD	
CN[C@H]1CCCN(C(=O)NCc2ccc(N)cc2)C1	1336290045	GHJPBUFTITZILN-ZDUSSCGKSA-N	262.357	1.162	10	20	CDCD	
O=C(O)[C@H](CO)NCc1cc(Cl)cc(Cl)c1O	1262163860	KKFJDPISGWSAGH-QMMMGPOBSA-N	280.107	1.234	10	20	CDCD	
O=C(O)CC1(NC(=O)/C=C/c2ccc(O)c(O)c2)CC1	1608682972	UIZFDWJAFILKLA-DUXPYHPUSA-N	277.276	1.235	10	20	CDCD	
CN(C)c1ccc(OCc2nccn2C)cc1C(=O)O	1606059968	BBSYTKZNBCKNSS-UHFFFAOYSA-N	275.308	1.763	10	20	CDCD	
C[C@@H](C(=O)O)N(C(=O)/C=C/c1ccc(O)c(O)c1)C1CC1	1602814156	GDYOYBOXNFNNOP-HMVTZJNGSA-N	291.303	1.575	10	20	CDCD	
CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@@H]1CC12CNC2	1578489705	HGGOFOHCTAYXKY-INIZCTEOSA-N	299.418	1.855	10	20	CDCD	
COC[C@@](C)(CC(=O)O)NCc1cc(C)cc(OC)c1O	1599149284	BOCQWBDWSVUODJ-OAHLLOKOSA-N	297.351	1.679	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1cccc(=O)n1C	156391924	PGZSPIGNUVUFCZ-UHFFFAOYSA-N	299.374	1.724	10	20	CDCD	
CC[C@@H](NCCOCCO)c1ccc(N(C)C)cc1	159139897	PFOWLBWPAIYCAB-OAHLLOKOSA-N	266.385	1.802	10	20	CDCD	
CO[C@@H]1CCN(Cc2ccccc2O)[C@H](C(=O)O)C1	902031164	HWZQPPAGTINHJM-NEPJUHHUSA-N	265.309	1.456	10	20	CDCD	
COc1ccc(O)c(CN2C[C@H]3[C@@H](C2)[C@@H]3C(=O)O)c1	1599598979	YLEZECXILLBBEB-PJXYFTJBSA-N	263.293	1.163	10	20	CDCD	
Cn1cnc(S(=O)(=O)Nc2ccc(O)cc2)c1Cl	37984098	JAZXZTWDFMXMSD-UHFFFAOYSA-N	287.728	1.580	10	20	CDCD	
OCCNC1CCN(Cc2cc(Cl)ccc2O)CC1	686283450	YOLKFZXOZOAHRA-UHFFFAOYSA-N	284.787	1.592	10	20	CDCD	
CC[C@@H](NCc1cc2c(cc1O)OCO2)[C@@H](C)O	387397252	KXCHLWAOLQNJJK-PSASIEDQSA-N	253.298	1.370	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CCS(C)(=O)=O	76176076	HDDQBBISPHFSMK-UHFFFAOYSA-N	298.408	1.146	10	20	CDCD	
CNC(=O)[C@H]1CCCN(C(=O)c2ccc(C)c(O)c2O)C1	177684839	YVMAWLLUSQTBFV-JTQLQIEISA-N	292.335	1.004	10	20	CDCD	
CCN(CC(=O)N(C)C)Cc1cccc(Cl)c1O	124534369	CHWCZMOMXSPTQE-UHFFFAOYSA-N	270.760	1.956	10	20	CDCD	
COCCN(CC(=O)N(C)C)Cc1cc(F)ccc1O	179939919	NDNAVHDEQGEJJV-UHFFFAOYSA-N	284.331	1.068	10	20	CDCD	
Cc1[nH]ncc1C(=O)N1CCOc2cc(N(C)C)ccc21	173207755	UMSQGOULQMZCMD-UHFFFAOYSA-N	286.335	1.823	10	20	CDCD	
C[C@H](OCC1CC1)C(=O)NCCc1ccc(O)c(O)c1	122259978	IJQACYLVSMAIKF-JTQLQIEISA-N	279.336	1.572	10	20	CDCD	
CC[C@@H](CO)N[C@H](C)c1ccc(N2CCOCC2)cc1	188678623	KWZJYUSVLYKRCB-HIFRSBDPSA-N	278.396	1.945	10	20	CDCD	
O[C@H]1CC[C@@H](CNCc2ccc(N3CCOCC3)cc2)C1	188847724	FFAMVTFIBYEPEC-WBVHZDCISA-N	290.407	1.774	10	20	CDCD	
CCCCC[C@H](C)NC=C1C(=O)N(C)C(=O)N(C)C1=O	48403059	PKVSFCBIGZMTGY-JTQLQIEISA-N	281.356	1.479	10	20	CDCD	
CC(C)[C@@H]1C(=O)NCCN1Cc1ccc(N(C)C)c(F)c1	131452292	HYLHCBVLYKLPAA-OAHLLOKOSA-N	293.386	1.848	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)NOC[C@H]1CCOC1	190418851	UZALGWJUEYEJQB-NSHDSACASA-N	280.324	1.502	10	20	CDCD	
CCNC(=O)[C@H](C)N[C@H](C)c1cc(F)ccc1O	94617132	KTXIUPQKZAYRGY-BDAKNGLRSA-N	254.305	1.707	10	20	CDCD	
COc1cccc(CN[C@H]2CC[C@H](O)CC2)c1O	252706977	VREGKZSDCSSFJG-HAQNSBGRSA-N	251.326	1.794	10	20	CDCD	
CCCCO[C@@H](C)C(=O)NCCc1ccc(O)c(O)c1	269247624	WSDPIOSXZSSUST-NSHDSACASA-N	281.352	1.962	10	20	CDCD	
COCCCCC(=O)N[C@H](C)Cc1ccc(O)c(O)c1	273154601	ISSBAONKBYPPIR-LLVKDONJSA-N	281.352	1.962	10	20	CDCD	
Cc1cc(O)c(CN[C@H](C)c2ncnn2C)cc1C	276617852	DTYJBMLEUUCQAX-LLVKDONJSA-N	260.341	1.988	10	20	CDCD	
COc1cccc(CN2CC[C@@H](N3CCCC3=O)C2)c1O	276857533	WEUZTRZVPJEKGU-CYBMUJFWSA-N	290.363	1.598	10	20	CDCD	
CCN(CC)c1ccc(CN[C@@H](CO)COC)cc1F	279855638	SDQPPQQDMZGQLP-ZDUSSCGKSA-N	284.375	1.769	10	20	CDCD	
COc1cccc(CNC(=O)N[C@@H]2CCO[C@@H](C)C2)c1O	271275084	KQJIYDWSQRLVDZ-CMPLNLGQSA-N	294.351	1.768	10	20	CDCD	
CCOc1ccc(O)c(CN(C)CCC(N)=O)c1	289678378	NVTGAAFYHTXLRV-UHFFFAOYSA-N	252.314	1.098	10	20	CDCD	
Cc1nc2n(n1)CCN(Cc1cc(Cl)ccc1O)C2	370711293	PIKIBAPMIJCQRA-UHFFFAOYSA-N	278.743	1.961	10	20	CDCD	
CO[C@](C)(C(=O)NCc1ccc(O)c(O)c1)C1CC1	292146332	MHRQAOBEDQTKPG-AWEZNQCLSA-N	265.309	1.529	10	20	CDCD	
CC1(C)CN(C(=O)c2c(F)ccc(O)c2O)C[C@@H]1O	296422080	UVSSXIFAVZTQHS-VIFPVBQESA-N	269.272	1.080	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)CCOC	808094971	MIKNFOJTLWXTMM-UHFFFAOYSA-N	258.314	1.531	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)c1cc2n(n1)CCC2	295309329	KNMQIRVZDZRINQ-UHFFFAOYSA-N	287.319	1.213	10	20	CDCD	
C[C@@H]1CN(Cc2cc(Cl)ccc2O)CC(=O)N1	824910372	VAKJJSAOJZMBCW-MRVPVSSYSA-N	254.717	1.366	10	20	CDCD	
Cc1noc([C@@H](C)NC(=O)Cc2ccc(N)cc2)n1	827929933	CBUVKMBYJJWLLI-MRVPVSSYSA-N	260.297	1.380	10	20	CDCD	
Cn1cc(CCCOC(=O)c2cc(O)cs2)cn1	732354345	JZKIRSZLZAVUCT-UHFFFAOYSA-N	266.322	1.977	10	20	CDCD	
CC(C)N(CCC(=O)O)Cc1cc2c(cc1O)OCO2	736467751	FBQZRXPHYHTZPD-UHFFFAOYSA-N	281.308	1.806	10	20	CDCD	
COc1cccc(CNC(=O)CCCCC(=O)O)c1O	911337564	VNNWZFHPJCEUFF-UHFFFAOYSA-N	281.308	1.662	10	20	CDCD	
CC[C@@H](NC(=O)c1c(F)ccc(O)c1O)[C@@H](O)C(C)C	839870738	VJRPICMHHMHQTL-SKDRFNHKSA-N	285.315	1.762	10	20	CDCD	
C[C@@H]1C(=O)CC[C@H]1CC(=O)NCc1ccc(O)cc1O	910946179	KBKORKLJXZYNSC-UWVGGRQHSA-N	277.320	1.719	10	20	CDCD	
COC[C@H](OC)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	832431755	UBRBMLLPUMXVHU-FZMZJTMJSA-N	280.368	1.591	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H]2CCCN2)c1	841937209	PEBJAOKZHQMCDW-MNOVXSKESA-N	293.367	1.513	10	20	CDCD	
COc1cccc([C@H](C)N[C@H]2CCCCNC2=O)c1O	846139531	UVMMOBUQUBIDNN-JQWIXIFHSA-N	278.352	1.720	10	20	CDCD	
COC[C@H]1CCCCN1C(=O)C(=O)Nc1ccc(N)cc1	841139076	AMULETGVVINXRA-CYBMUJFWSA-N	291.351	1.235	10	20	CDCD	
C/C=C/C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	749406210	MVZXECGVTDWSRI-NSCUHMNNSA-N	292.354	1.979	10	20	CDCD	
CCOc1ccc(CNC[C@@H]2CCCN2)c(O)c1	841035121	HOYAIKMOVANRSA-LBPRGKRZSA-N	250.342	1.633	10	20	CDCD	
COc1cccc([C@@H](C)NC[C@@H]2CCS(=O)(=O)C2)c1O	846137635	VGFXOSNGYDPMBP-MNOVXSKESA-N	299.392	1.486	10	20	CDCD	
CC1(C)OC[C@@H](CNC(=O)NCCc2ccc(N)cc2)O1	841873810	FMIIMCXWMKOBFD-CYBMUJFWSA-N	293.367	1.262	10	20	CDCD	
CO[C@@H]1COC[C@H]1N[C@@H](C)c1cc([N+](=O)[O-])ccc1O	842908449	BWYJUZKSNMBASB-RLCGTCKNSA-N	282.296	1.365	10	20	CDCD	
COCC(=O)N(C)CCN(C)c1ccc(OC)cc1	844853110	SJTFKDYURQCZCA-UHFFFAOYSA-N	266.341	1.236	10	20	CDCD	
CC[C@H](CNC(=O)NCc1cc(C)ccc1O)OC	858471876	VIDQTTVCRNZANI-GFCCVEGCSA-N	266.341	1.925	10	20	CDCD	
C[C@@H]1CCN(C(=O)NCCc2ccc(N)cc2)[C@H](CN)C1	851666150	ZIWBVAOWOCLWCV-DOMZBBRYSA-N	290.411	1.580	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@H]2NCCC2(C)C)cc1F	852864129	XCOUEDRFZOPABN-AWEZNQCLSA-N	293.386	1.896	10	20	CDCD	
Nc1c(C(=O)NCc2ccccc2O)cccc1[N+](=O)[O-]	759080828	NGENBQQDNVFJHR-UHFFFAOYSA-N	287.275	1.813	10	20	CDCD	
CN1CCC(N(C)C(=O)c2cc(O)cs2)CC1	854124669	ZLTNCYODGWXAOJ-UHFFFAOYSA-N	254.355	1.620	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@H](C(=O)O)C2CC2)cc1F	852945981	LDEOUZLJUQFMPJ-ZDUSSCGKSA-N	294.326	1.619	10	20	CDCD	
c1cc(N2CCOCC2)ccc1CN1C[C@H]2C[C@@H]2C1	862441238	PUMGYSCQSIXYDP-HUUCEWRRSA-N	258.365	1.975	10	20	CDCD	
CCS(=O)(=O)CCNCc1ccc(C)cc1O	877005653	KPINCVRNTQJZQZ-UHFFFAOYSA-N	257.355	1.225	10	20	CDCD	
COC(OC)C(=O)NCCCSc1nccs1	874466277	KLGAAVNYVAJWHR-UHFFFAOYSA-N	276.383	1.360	10	20	CDCD	
COC[C@@]1(C(=O)O)CCN(Cc2cccc(C)c2O)C1	874042347	CQKUWUDYJZVBIP-OAHLLOKOSA-N	279.336	1.624	10	20	CDCD	
CC(C)[C@H](CN)CNC[C@H](N)c1ccc(N(C)C)cc1	873210873	RCSHNGDRJDKEID-ZBFHGGJFSA-N	278.444	1.573	10	20	CDCD	
C[C@H](NCc1nnc2n1CCC2)c1ccccc1O	775129670	IMLOCHRRHZXPKR-JTQLQIEISA-N	258.325	1.781	10	20	CDCD	
CC[C@H]1COCCN1CCNC(=O)c1cc(O)cs1	874708921	SPFFIIKKQBLBBQ-JTQLQIEISA-N	284.381	1.294	10	20	CDCD	
Cc1ccc(CN(C)CCN2CCCC2=O)c(O)c1	876721708	LSWZXSUGGLSNGV-UHFFFAOYSA-N	262.353	1.755	10	20	CDCD	
C[C@@H]1OCC[C@@H]1C(=O)NCc1ccc(O)c(O)c1	778914769	LOLYDLJECGARQQ-WPRPVWTQSA-N	251.282	1.139	10	20	CDCD	
COc1cccc(O)c1CN[C@@H](CO)CC(F)(F)F	1331961662	YMYODRLDLMPCPG-MRVPVSSYSA-N	279.258	1.804	10	20	CDCD	
O=C(NCc1cccnc1)c1c(F)ccc(O)c1O	789939812	TZPMTYSGAMWOBL-UHFFFAOYSA-N	262.240	1.562	10	20	CDCD	
CC[C@@H](F)C(=O)NCCNCc1ccc(OC)c(C)c1	1132439813	MAXQFLGPGNEYKZ-CYBMUJFWSA-N	282.359	1.958	10	20	CDCD	
CN(C)c1ccc([C@@H](CNC(=O)C(F)F)N(C)C)cc1	891258417	SFULVGWNXAQVRC-GFCCVEGCSA-N	285.338	1.737	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@@H]2CO[C@H](C)C2)c1	784443456	STIQTXIGYTXRQU-KOLCDFICSA-N	265.309	1.442	10	20	CDCD	
C[C@H]1C[C@@H](NC(=O)N[C@H](C)c2ccccc2O)CCN1	892097861	SRTNHQPRVBWKAO-TUAOUCFPSA-N	277.368	1.893	10	20	CDCD	
CC[C@H](C(=O)NCCc1ccc(O)c(O)c1)[C@H](C)O	790075170	IHNVFARKWOYRPH-ONGXEEELSA-N	267.325	1.164	10	20	CDCD	
Cc1nccc(N2CC=C(CCNC(=O)C3CC3)CC2)n1	1089802439	NUGFRDXJJUFYJT-UHFFFAOYSA-N	286.379	1.838	10	20	CDCD	
O=C(CCc1ccco1)NCCc1ccc(O)c(O)c1	768899026	DWMYKGLPNXSSHC-UHFFFAOYSA-N	275.304	1.982	10	20	CDCD	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(C)C	1342434953	QNDRQIIVBKAPKU-NSHDSACASA-N	295.335	1.344	10	20	CDCD	
CNC(=O)[C@]1(C)CCN(Cc2c(O)cccc2OC)C1	797605721	VWCFGJKKWZOKFP-OAHLLOKOSA-N	278.352	1.359	10	20	CDCD	
C[C@H](CCN)NCc1ccc(N2CCN(C)CC2)c(F)c1	1348515020	IMFHQSGFBQMGOS-CYBMUJFWSA-N	294.418	1.404	10	20	CDCD	
CCCNC(=O)[C@@H](C)NC(=O)NCc1cc(C)ccc1O	1357741912	UCBHNWANEVNRKN-LLVKDONJSA-N	293.367	1.415	10	20	CDCD	
Nc1ccc(CN2CCOC[C@@H]2c2ncon2)cc1	1356083203	MHSWODUTTQTOSG-GFCCVEGCSA-N	260.297	1.225	10	20	CDCD	
Nc1ccc(CN[C@H](C[C@H]2CCCO2)C(=O)O)cc1	1601216122	OSWVESUUPHRMBA-CHWSQXEVSA-N	264.325	1.381	10	20	CDCD	
C[C@H](CC(=O)O)CC(=O)N[C@H](C)Cc1ccc(O)c(O)c1	1592381562	JUCDZZYCYANRCA-VHSXEESVSA-N	295.335	1.646	10	20	CDCD	
C[C@H](NCC1(C)OCCCO1)c1cc(C(=O)O)ccc1O	1593248754	LQUZXUIPRILYQP-JTQLQIEISA-N	295.335	1.894	10	20	CDCD	
CN(C)c1ccc(CN2CC[C@]3(CCNC3)C2)cc1	31994774	LWCMKKPMBHETFN-INIZCTEOSA-N	259.397	1.938	10	20	CDCD	
COc1ccc(O)c(CN[C@@H](C)C[S@@](C)=O)c1	168413603	ZIKOZSZVSGDNLJ-XYZCENFISA-N	257.355	1.257	10	20	CDCD	
COc1cccc(CNC[C@@H]2CCCNC2=O)c1O	839196979	ZAGOEYYYTQPEPN-NSHDSACASA-N	264.325	1.017	10	20	CDCD	
CCCNC(=O)CNCc1ccc(N2CCCC2)cc1	37262590	KALVYDCNCGUCQN-UHFFFAOYSA-N	275.396	1.903	10	20	CDCD	
CN(Cc1ccccc1O)S(=O)(=O)N1CCCCCC1	269821213	SGMBZUJIIUZMSK-UHFFFAOYSA-N	298.408	1.945	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NCc2ccnn2C)c1	71333078	VFTPVXRAVVAVNZ-SNVBAGLBSA-N	261.325	1.985	10	20	CDCD	
CCc1cccc(CNCCCn2cncn2)c1O	691442747	CVRWICUXILOGFO-UHFFFAOYSA-N	260.341	1.726	10	20	CDCD	
COCCCN(C)CCNC(=O)c1ccc(C)c(O)c1O	179516988	CDLAYRAXHZALHY-UHFFFAOYSA-N	296.367	1.104	10	20	CDCD	
CN(C)c1ccc(CNC(=O)Cc2ccn[nH]2)cc1F	121578245	FUBNKVBBQGEMRK-UHFFFAOYSA-N	276.315	1.474	10	20	CDCD	
COc1ccc(O)c(CNC(=O)CC[C@H](C)OC)c1	184026573	WFFLTSNLRHFQAC-JTQLQIEISA-N	267.325	1.832	10	20	CDCD	
CO[C@H](C)CCC(=O)NCc1ccc(O)c(O)c1	184027110	KQGYKKUWXKIHFE-SECBINFHSA-N	253.298	1.529	10	20	CDCD	
COc1cc(Cl)cc(CN(C)CC(=O)NC2CC2)c1O	184675320	JNKYVPWJDAIEDB-UHFFFAOYSA-N	298.770	1.765	10	20	CDCD	
CCOC(=O)N1CC[C@H](NCc2ccc3c(c2)CCO3)C1	185779846	XWDUCUUMFQSBEG-AWEZNQCLSA-N	290.363	1.942	10	20	CDCD	
COc1ccc(O)c([C@@H](C)N[C@H]2CCCNC2=O)c1	50394280	XNLKMBWUAPFTLI-SKDRFNHKSA-N	264.325	1.330	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1cocn1	266321634	GVYMYOQBUUTKQA-UHFFFAOYSA-N	273.292	1.780	10	20	CDCD	
C[C@H](O)CCNC(=O)NCc1ccc(N(C)C)cc1	265128656	GHYTVKGLQHSOMK-NSHDSACASA-N	265.357	1.323	10	20	CDCD	
CCN(CC)c1ccc(CN2C(=O)CN(C)C2=O)cc1	272349059	XIDNMRDGPITWHK-UHFFFAOYSA-N	275.352	1.927	10	20	CDCD	
CC(C)OC(=O)[C@H](C)CNC(=O)c1c(F)ccc(O)c1O	276586678	MNNXGRJUEOQFCM-MRVPVSSYSA-N	299.298	1.554	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)NCCC(=O)N(C)C)c1	273555315	GTCFKENDTMEQJR-JTQLQIEISA-N	294.351	1.308	10	20	CDCD	
CN(C)c1ccc(CN2CC[C@H](n3cncn3)C2)cc1	364513519	UXIMFRXNDMKTBK-HNNXBMFYSA-N	271.368	1.791	10	20	CDCD	
C[C@@H]1c2nncn2CCN1Cc1cc2c(cc1O)OCO2	276784465	KBACXPLECZMUBW-SECBINFHSA-N	288.307	1.289	10	20	CDCD	
CCOc1cccc(CNC[C@H](CO)[C@@H]2CCOC2)c1O	280346591	RXVZSJPUMVPPRC-ZIAGYGMSSA-N	295.379	1.526	10	20	CDCD	
COC(=O)c1cnc(SC[C@@H](O)CSC)s1	296320210	SUOFEFFHXKRGTQ-LURJTMIESA-N	279.408	1.746	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)Nc1nncn1C1CC1	803515359	ODMBPKTZIPBVQO-QHHAFSJGSA-N	286.291	1.676	10	20	CDCD	
CNC(=O)C1CN(Cc2cc(Cl)cc(Cl)c2O)C1	297305651	BWYDCMYFBQJWQL-UHFFFAOYSA-N	289.162	1.877	10	20	CDCD	
C[C@@H](NC[C@@H]1CCCN1)c1cc([N+](=O)[O-])ccc1O	817953176	WMLKBMPAQBQWQY-ZJUUUORDSA-N	265.313	1.703	10	20	CDCD	
COCCNCCN[C@@H](C)c1cc(F)cc(F)c1O	817965563	XHRLQIDIIMOYIM-VIFPVBQESA-N	274.311	1.557	10	20	CDCD	
COC(C)(C)CN1C(=O)CN(Cc2ccccc2O)C1=O	819169322	ZRRHGALQHBGXMF-UHFFFAOYSA-N	292.335	1.581	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)NC[C@H](N)C(C)C)c1	817958404	JMQJQNYXACZMDN-GWCFXTLKSA-N	280.368	1.813	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CCO[C@@H]2C[C@@H]21	816900413	NNFWNCLDRSARBV-PUOIHZGYSA-N	261.277	1.111	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)CCn2ccnc2)c1	728982240	LBZWEQVLPYIOMO-NSHDSACASA-N	289.335	1.865	10	20	CDCD	
COC(=O)CN(C(=O)c1cc(O)cs1)C1CC1	829784349	LLGACASIJCFJCF-UHFFFAOYSA-N	255.295	1.231	10	20	CDCD	
COc1cccc(CNC(=O)CCCn2cccn2)c1O	729860268	VXTMJWWLORDLQO-UHFFFAOYSA-N	289.335	1.694	10	20	CDCD	
C[C@@H](N)CC(=O)NCc1ccc(N(C)C)c(F)c1	827901967	XHAHONJWFRALGT-SECBINFHSA-N	253.321	1.245	10	20	CDCD	
CC1=NO[C@@H](C(=O)NCc2ccc3c(c2)CCCN3C)C1	824682252	BYRYOSZPVVGWLH-OAHLLOKOSA-N	287.363	1.850	10	20	CDCD	
Oc1cccc2c1[C@@H](NCCN1CCCOCC1)CC2	903227735	NLXCXFGNWYECMZ-AWEZNQCLSA-N	276.380	1.691	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)[C@H]1CCc2cncn2C1	910944556	OFMSRIRNPASZIT-NSHDSACASA-N	287.319	1.173	10	20	CDCD	
COC1([C@@H](C)NC(=O)c2cccc(O)c2O)CCC1	839877092	IOPUGWVPRQKCLG-SECBINFHSA-N	265.309	1.785	10	20	CDCD	
C[C@H]1CCSCCN1C(=O)C(=O)Nc1ccc(N)cc1	841117649	ZXEGXDGTNKUBKT-JTQLQIEISA-N	293.392	1.561	10	20	CDCD	
COc1ccc(O)c(CN[C@H]2CCN(CC(F)F)C2)c1	841894827	WSTGUCBKPIXKKI-NSHDSACASA-N	286.322	1.830	10	20	CDCD	
Nc1ccc(NC(=O)C(=O)N2CC3(CCC3)[C@@H]2C2CC2)cc1	841134597	ZJHIWRUXUNGUPF-AWEZNQCLSA-N	299.374	1.998	10	20	CDCD	
Nc1ccc(CCNC(=O)NC[C@@H]2CCCNC2)cc1	841923347	DFBQHEUCDCOUDK-CYBMUJFWSA-N	276.384	1.110	10	20	CDCD	
Nc1ccc(CCNC(=O)N2CCC(CCO)CC2)cc1	841958113	WRJUNLIQVDXLRJ-UHFFFAOYSA-N	291.395	1.615	10	20	CDCD	
C[C@@H](N)[C@@H]1CN(Cc2cccc(F)c2O)CCO1	843056799	AFCRYVZFFSENJO-SKDRFNHKSA-N	254.305	1.079	10	20	CDCD	
FC[C@H]1CN(Cc2ccc(N3CCOCC3)cc2)CCO1	840954456	JSIFQEPMZHGISH-INIZCTEOSA-N	294.370	1.694	10	20	CDCD	
COCCN1C(=O)C2(CC2)N[C@@H]1c1cc(F)ccc1O	840837917	OUTUGUSQCFSGID-LBPRGKRZSA-N	280.299	1.141	10	20	CDCD	
OC[C@H](CCF)NCc1cc(Cl)cc(F)c1O	846099858	KYPRNMWOZXQCLR-VIFPVBQESA-N	265.687	1.995	10	20	CDCD	
C[C@@H](N[C@@H]1CCc2c(nnn2C)C1)c1ccccc1O	848565615	YQANBCYRUVYYSU-GHMZBOCLSA-N	272.352	1.729	10	20	CDCD	
CC[C@H](O)[C@H](C)C(=O)NCc1ccc(O)cc1O	910942988	JKBATIBNNGZTEO-KWQFWETISA-N	253.298	1.121	10	20	CDCD	
COCCNC(=O)NCc1cc(Cl)ccc1O	844282156	SWJBKBNCLPINMO-UHFFFAOYSA-N	258.705	1.491	10	20	CDCD	
CC(C)[C@@H](N)CNC(=O)NCc1ccc(N(C)C)cc1	841654572	NELGQSIUJLUPCZ-AWEZNQCLSA-N	278.400	1.535	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NCC[C@]2(O)CCCOC2)c1	846107491	JHFDWFQTCZWYRV-MLGOLLRUSA-N	295.379	1.983	10	20	CDCD	
CCOC(=O)c1cnc(Sc2nnc(CC)n2N)s1	853448852	MFIJGFHQOHPPJA-UHFFFAOYSA-N	299.381	1.339	10	20	CDCD	
Cc1ccc(C(=O)NOC2CCN(C)CC2)c(O)c1O	854358417	XKBLOPCTYNOVKR-UHFFFAOYSA-N	280.324	1.162	10	20	CDCD	
CN1CC[C@H]1CNCc1cc(Cl)cc([N+](=O)[O-])c1O	922574919	CERLCTOEZQQCKD-JTQLQIEISA-N	285.731	1.748	10	20	CDCD	
C[C@H](NCc1cc([N+](=O)[O-])ccc1O)C1(CO)CC1	850362123	ZHOFSERZDUBCIP-VIFPVBQESA-N	266.297	1.551	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCN(C[C@@H]2CCCO2)CC1	854249769	GLBKBFCYBKKNNE-LBPRGKRZSA-N	296.392	1.391	10	20	CDCD	
Oc1ccccc1CNC(=S)NC[C@@H]1CCCCO1	758215223	HWHSIIPAYFAEJQ-LBPRGKRZSA-N	280.393	1.925	10	20	CDCD	
CC[C@H]1CC[C@@H](C(=O)NCc2cc(OC)ccc2O)O1	757383074	SWEMFRIZDNNOSJ-FZMZJTMJSA-N	279.336	1.975	10	20	CDCD	
CC1(C)OCC(NCc2cc(F)ccc2O)CO1	758012264	ONTDHYMTEMJADN-UHFFFAOYSA-N	255.289	1.772	10	20	CDCD	
Cn1cc(/C=C\C(=O)N2CCOc3ccncc32)cn1	750137755	BFNZFMVLQKMXOP-IHWYPQMZSA-N	270.292	1.254	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)CN2CCSC2=O)c1	862759917	NARGQHOSXZBDST-UHFFFAOYSA-N	280.349	1.486	10	20	CDCD	
CC(=O)OC(C)(C)C(=O)NCc1cc(C)ccc1O	862757000	CUWKOGWGNUCWMZ-UHFFFAOYSA-N	265.309	1.659	10	20	CDCD	
O=C(NCc1ccccc1O)NOCC(F)(F)F	765982758	JNTVPISRGAXHOR-UHFFFAOYSA-N	264.203	1.685	10	20	CDCD	
OC[C@@H]1CSCCN1Cc1cc(Cl)ccc1O	877780345	NKWJALASYRFCGY-LLVKDONJSA-N	273.785	1.955	10	20	CDCD	
CNC(=O)[C@H]1CCC[C@@H]1NCc1cc(C)ccc1O	765798047	UKVWZQSVAHZLRZ-STQMWFEESA-N	262.353	1.705	10	20	CDCD	
CCN[C@@H](C)C(=O)NCc1ccc(N(C)C)cc1C	876767393	IIINXLDBQBHRRA-LBPRGKRZSA-N	263.385	1.675	10	20	CDCD	
CC(=O)N1CCN(Cc2ccc(C)cc2O)[C@H](C)C1	876748186	XVZALAKAYOKJEY-GFCCVEGCSA-N	262.353	1.753	10	20	CDCD	
CCn1nccc1NC(=O)NCc1cc(OC)ccc1O	776020879	AOTXVNWVRLWGFL-UHFFFAOYSA-N	290.323	1.939	10	20	CDCD	
C[C@@H](CO)[C@@H]1CCCCN1C(=O)NCc1ccc(N)cc1	1120676785	CFVUAMVFHPPSAC-WFASDCNBSA-N	291.395	1.961	10	20	CDCD	
O=C(COC(=O)[C@@H]1CCSC1)c1ccc(O)c(O)c1	784154765	HZNIDYRCYHIFFW-SECBINFHSA-N	282.317	1.577	10	20	CDCD	
Cc1nc(CNC(=O)N(C)Cc2ccccc2O)n[nH]1	898371512	VCMDQOACIBTZTI-UHFFFAOYSA-N	275.312	1.160	10	20	CDCD	
COCCN(CCO)Cc1cc(F)cc(F)c1O	893995243	INQUQZKKMFOUMJ-UHFFFAOYSA-N	261.268	1.111	10	20	CDCD	
CN(CC(=O)NC[C@@H]1CCCO1)Cc1ccccc1O	269604953	BQJXARUCWPBVDD-ZDUSSCGKSA-N	278.352	1.119	10	20	CDCD	
CN1CC[C@@H](N(C)Cc2c(O)ccc(Cl)c2F)C1=O	792166945	WAJGOIQQKFDAIO-SNVBAGLBSA-N	286.734	1.847	10	20	CDCD	
COC1CCC(NC(=O)Cc2ccc(N)cc2)CC1	703828058	WLWRHJAFECTXGP-UHFFFAOYSA-N	262.353	1.885	10	20	CDCD	
O=C1CN(Cc2cc(Cl)cc(F)c2O)CN1C1CC1	790943714	YWNNTCFDIKPINH-UHFFFAOYSA-N	284.718	1.949	10	20	CDCD	
CN(C1CCCCC1)S(=O)(=O)NCc1ccccc1O	751151163	RYBRUJJVMOHNEN-UHFFFAOYSA-N	298.408	1.991	10	20	CDCD	
COCc1cc(N2CC=C(CCNC(C)=O)CC2)ncn1	1089802753	VURRFSOLGGXVNK-UHFFFAOYSA-N	290.367	1.286	10	20	CDCD	
CCOc1cc(C(=O)NCc2ccccc2O)[nH]n1	1329605907	AHWFWXJWPCQTFU-UHFFFAOYSA-N	261.281	1.444	10	20	CDCD	
CN(CC(C)(C)O)C(=O)NCc1ccc(N)cc1	1262603363	GHXLEZUQNLWJMM-UHFFFAOYSA-N	251.330	1.181	10	20	CDCD	
CN[C@H](C)CCN[C@@H](C)c1cc(C(=O)OC)ccc1O	1261424576	XYBLHXLNGXNJPO-MNOVXSKESA-N	280.368	1.827	10	20	CDCD	
CN(C[C@H]1CCCC[C@@H]1O)C(=O)NCc1ccc(N)cc1	1346738682	JKMMNWHKQBCUED-HIFRSBDPSA-N	291.395	1.961	10	20	CDCD	
O=C(O)C[C@]1(NCc2cccc(F)c2O)CCOC1	1608688277	BFKVEVABPPHIIR-CYBMUJFWSA-N	269.272	1.255	10	20	CDCD	
C[C@@H](NC1CCN(CC(=O)O)CC1)c1ccccc1O	1589123120	INGNAZIRPGKLSG-LLVKDONJSA-N	278.352	1.592	10	20	CDCD	
CC(C)C[C@@H](CNC(=O)Cc1ccc(O)c(O)c1)C(=O)O	1588846771	HQWBBIMNVQUEKN-NSHDSACASA-N	295.335	1.503	10	20	CDCD	
COc1ccc(O)c([C@H](C)N[C@@H]2CCN(C)C2=O)c1	121033981	RHLWVLOMOXUSQY-JOYOIKCWSA-N	264.325	1.282	10	20	CDCD	
CCOCCCN[C@@H](C)c1cccc(-c2nn[nH]n2)c1O	1590810725	SZQJJVVNHZULFM-JTQLQIEISA-N	291.355	1.650	10	20	CDCD	
CC(C)(O)[C@@H]1CCCN1Cc1cc2c(cc1O)OCO2	154430333	KCYGIHCQGACOKJ-AWEZNQCLSA-N	279.336	1.856	10	20	CDCD	
C[C@@H](N)[C@@H]1CCCN(C(=O)Cc2ccc(N)cc2)C1	832750111	JREKUJULAVBIBA-DGCLKSJQSA-N	261.369	1.397	10	20	CDCD	
CCn1nccc1CNCc1cccc(OC)c1O	20352709	GNKCMPBXZQGOMU-UHFFFAOYSA-N	261.325	1.907	10	20	CDCD	
COc1cc(Cl)cc(CN2CCN(C(C)=O)CC2)c1O	184672024	XJYXONRAXVUKEP-UHFFFAOYSA-N	298.770	1.718	10	20	CDCD	
C[C@H](C[C@@H]1CCC(=O)N1)NCc1ccc(N(C)C)cc1	381136425	IXXVXEPVPGCCTM-OCCSQVGLSA-N	275.396	1.899	10	20	CDCD	
COC[C@@](C)(O)CNCc1c(O)cccc1Cl	382569230	QBIPYVVIZBCXJZ-LBPRGKRZSA-N	259.733	1.533	10	20	CDCD	
CN(C)C(=O)/C=C/c1ccc(N2CCOCC2)cc1	108772561	LABZFPAEINXLRU-VMPITWQZSA-N	260.337	1.625	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)NC[C@H]1CCCOC1	57151898	JTKBCGYFMAQOAR-GFCCVEGCSA-N	278.352	1.960	10	20	CDCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H]1CCOC1	179223105	LJSSQHOPRZAQRT-CQSZACIVSA-N	287.363	1.651	10	20	CDCD	
CNC(=O)COC(=O)c1cc(C)n(-c2ccccn2)c1C	119871800	BRQHFHCXBDTJBD-UHFFFAOYSA-N	287.319	1.392	10	20	CDCD	
CCCNC(=O)CCNC(=O)c1ccc(C)c(O)c1O	177675254	RDTHZGCBCPAJBE-UHFFFAOYSA-N	280.324	1.052	10	20	CDCD	
O=C(c1cccc2c1CCN2)N1CCn2nccc21	1344495750	VTWXQBAYMLPIAY-UHFFFAOYSA-N	254.293	1.512	10	20	CDCD	
C[C@H](Cn1cncn1)NCc1ccc2c(c1)CCO2	67504768	ROJZWRRQVXGYCQ-LLVKDONJSA-N	258.325	1.391	10	20	CDCD	
CNC1(C(=O)N(C)Cc2ccc(N(C)C)cc2)CCC1	312886649	AJFGECWGDZCZSX-UHFFFAOYSA-N	275.396	1.853	10	20	CDCD	
Oc1cc2c(cc1CN[C@@H]1CCSC1)OCO2	230704281	YYDHWNXOPXZJRX-SECBINFHSA-N	253.323	1.716	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H](C)c2nc[nH]n2)c(O)c1O	182534049	FBPFNWXTNYKUFP-ZETCQYMHSA-N	262.269	1.015	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)NCCNC(=O)C1CC1	43308766	YAIRFVPEYBRUJI-UHFFFAOYSA-N	291.351	1.060	10	20	CDCD	
COc1cccc(CNC(=O)NC[C@]2(C)CCCO2)c1O	133275115	HSBGMYSOWZQYHB-HNNXBMFYSA-N	294.351	1.769	10	20	CDCD	
O=S1(=O)CCC[C@@H](NCc2c(O)cccc2Cl)C1	83794723	FTTPWYGVWZWZRL-SECBINFHSA-N	289.784	1.712	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)C(C)(C)O)cc1	191776936	RFINPOVSTCRLGG-UHFFFAOYSA-N	264.369	1.920	10	20	CDCD	
CN(C)c1ccc(CN(C)S(=O)(=O)CCCF)cc1	80642369	NWFPUXGUKXABMO-UHFFFAOYSA-N	288.388	1.874	10	20	CDCD	
Cc1nn(C)cc1[C@H](C)NC(=O)c1cccc(O)c1O	193014449	BDYLJHFAGJFJRQ-QMMMGPOBSA-N	275.308	1.631	10	20	CDCD	
COC(=O)COc1ccc(N(C)C[C@@H](C)O)cc1	192793595	XPRRURWNZYUTBB-SNVBAGLBSA-N	253.298	1.055	10	20	CDCD	
CC(C)NC(=O)NC(=O)[C@H](C)Sc1nccs1	48875288	WRYBBPUMXPYGLO-ZETCQYMHSA-N	273.383	1.858	10	20	CDCD	
C[C@H](O)CCN(C)Cc1cc2c(cc1O)OCO2	93481801	LPFPTRNDKMGVTP-VIFPVBQESA-N	253.298	1.324	10	20	CDCD	
CCN(Cc1cc(F)ccc1O)[C@@H](C)CS(C)(=O)=O	180153681	YJSAEDKMYUQPSL-JTQLQIEISA-N	289.372	1.786	10	20	CDCD	
C[C@@H]1[C@@H](C)[S@](=O)CCN1Cc1cc(F)ccc1O	272289812	NZBSDUOICZCKHL-CLFVBBPSSA-N	271.357	1.873	10	20	CDCD	
CCOc1cccc(CN(CCO)C2CC2)c1O	271094154	XVVCWSTZZDRPPK-UHFFFAOYSA-N	251.326	1.748	10	20	CDCD	
CN(C)c1ccc(CN2CCCS(=O)(=O)CC2)cc1	378343924	XJGSRZKONGMRLD-UHFFFAOYSA-N	282.409	1.373	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)NCC1=CCCOC1	288074885	UJGOSVQVPKFWFV-UHFFFAOYSA-N	276.336	1.880	10	20	CDCD	
C[C@@H](OC(=O)c1cc(O)cs1)c1nncn1C	805449819	HTTSMBYBRKPBHL-ZCFIWIBFSA-N	253.283	1.500	10	20	CDCD	
COc1cccc(CCC(=O)OCC(=O)C(C)=O)c1OC	808490465	PDXUYSSIBCDADQ-UHFFFAOYSA-N	294.303	1.338	10	20	CDCD	
Nc1ccc(NC(=O)C(=O)NC[C@@H]2C[C@H]2C2CCC2)cc1	818641652	ORUXGBNMRTVXMY-FZMZJTMJSA-N	287.363	1.760	10	20	CDCD	
C[C@H](NC[C@@H](N)c1ccc(N(C)C)cc1)[C@H]1CCCCN1	817943852	WAYZRDNYXANXQP-IAOVAPTHSA-N	290.455	1.873	10	20	CDCD	
CNC[C@@H](C)C(=O)N[C@@H](C)c1cc(OC)ccc1O	828666214	BVLMDAAUXHLRDG-ZJUUUORDSA-N	266.341	1.434	10	20	CDCD	
O=C(NCC[C@H]1CCCC[C@H]1O)c1c(F)ccc(O)c1O	900740117	IBSUFMQSUPCFPN-MWLCHTKSSA-N	297.326	1.908	10	20	CDCD	
COC[C@H](OC)C(=O)N[C@@H](C)c1cc(OC)ccc1O	830540811	NQMLZMWPBIZIMZ-ZANVPECISA-N	283.324	1.239	10	20	CDCD	
CC[C@@H](NC(=O)c1cc(O)cs1)C(OC)OC	839741502	ZGPLFFAZGKTHBS-MRVPVSSYSA-N	259.327	1.581	10	20	CDCD	
C[C@H]1C[C@H](C(=O)N(CC(=O)O)Cc2ccccc2O)CO1	911493218	LFTVXTFMBXNRKH-JQWIXIFHSA-N	293.319	1.230	10	20	CDCD	
CN(C)c1ccc(CN[C@@H]2CCCNC2)cc1F	841043877	YHCGLZJEITZQCW-GFCCVEGCSA-N	251.349	1.733	10	20	CDCD	
Cc1cc(NS(=O)(=O)N2CCCOCC2)ccc1O	844658183	RMUQHFZRDBODEK-UHFFFAOYSA-N	286.353	1.080	10	20	CDCD	
COc1ccc(O)c(CN(C)[C@H](C)C[S@](C)=O)c1	130956760	PIBQNJTWKWXFQG-MLCYQJTMSA-N	271.382	1.600	10	20	CDCD	
COC(=O)CCCCOC(=O)c1cc(O)cs1	859553159	ODSRNLUCERTXMT-UHFFFAOYSA-N	258.295	1.954	10	20	CDCD	
C[C@@H]1OCC[C@]1(C)NC(=O)/C=C\c1ccc(O)c(O)c1	753051837	JZEKRXWQIIKLRV-XFHVLCQBSA-N	277.320	1.795	10	20	CDCD	
CCc1nc(COC(=O)c2cc(O)cs2)n[nH]1	754815072	INKQGGTVPSNGCL-UHFFFAOYSA-N	253.283	1.491	10	20	CDCD	
COC/C=C/C(=O)NCCCSc1nccs1	865783765	BAZCEURLIZLOPE-DUXPYHPUSA-N	272.395	1.944	10	20	CDCD	
COC[C@H]1NC(=O)N(Cc2ccc(N(C)C)cc2C)C1=O	761362136	ZKKFNYPJLXKDFZ-CYBMUJFWSA-N	291.351	1.128	10	20	CDCD	
O=C(NCc1cccc(CO)c1)c1c(F)ccc(O)c1O	764609745	QVMNKACYRCYPAK-UHFFFAOYSA-N	291.278	1.659	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)NCc1ccon1	779487199	AHVNEKDGZADWKC-RQOWECAXSA-N	260.249	1.415	10	20	CDCD	
Cc1cccc(O)c1CN1CCC[C@@H](OCCO)C1	876720611	HWDBFIGOKDMCBQ-CYBMUJFWSA-N	265.353	1.674	10	20	CDCD	
COc1ccc(CNCCNC(=O)c2ccon2)cc1C	1124200381	JWMVJORFIMLSSU-UHFFFAOYSA-N	289.335	1.511	10	20	CDCD	
N=C(NCc1ccc(N2CCOCC2)cc1)NCC1CC1	887350152	WJGKJERGKOCYKZ-UHFFFAOYSA-N	288.395	1.547	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)[C@H]1NC(=O)O[C@@H]1C	788656902	YWSJLRBUVXDNCJ-MFKMUULPSA-N	292.335	1.628	10	20	CDCD	
COC(=O)CC(C)(C)CC(=O)NCc1ccccc1O	780452241	UMDYRQYBBYZCCG-UHFFFAOYSA-N	279.336	1.988	10	20	CDCD	
Nc1ccc(NC(=O)C(=O)N2CCC[C@H](CF)C2)cc1	883614728	PKWOTWJDKGTYMY-SNVBAGLBSA-N	279.315	1.415	10	20	CDCD	
COc1cc(C)cc(CNCC(F)(F)CO)c1O	894474423	BNNGSTUDKSAQDF-UHFFFAOYSA-N	261.268	1.426	10	20	CDCD	
C[C@H](N[C@H](C)[C@@H]1CN(C)CCO1)c1ccccc1O	783518220	KBIQTDFWIBNHSG-ZOWXZIJZSA-N	264.369	1.762	10	20	CDCD	
CO[C@H](C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	891254955	KUMTWZRNRZJUSZ-IUODEOHRSA-N	293.411	1.506	10	20	CDCD	
CCN1C[C@H](NCc2cc(C)cc(OC)c2O)CC1=O	894900763	OJRWMGYJSUXULQ-GFCCVEGCSA-N	278.352	1.420	10	20	CDCD	
O=C1CCCN1[C@H]1CCN(Cc2cc(F)cc(F)c2O)C1	894545976	ZEKPSQNAARRXJA-LBPRGKRZSA-N	296.317	1.867	10	20	CDCD	
Cc1ccc([C@H](C)NC[C@]2(O)CCN(C)C2)c(O)c1	702637003	RJKPIHJOWGKFDJ-SWLSCSKDSA-N	264.369	1.418	10	20	CDCD	
Cc1ccc(C(=O)N2C[C@@H](O)Cc3ccccc32)c(O)c1O	790159328	YCNMGUXDSPFSDM-LBPRGKRZSA-N	299.326	1.970	10	20	CDCD	
O=C(c1cccc(O)c1O)N(C[C@H]1CCOC1)C1CC1	187198309	INJALYSLGQTRKX-SNVBAGLBSA-N	277.320	1.739	10	20	CDCD	
Cc1nnsc1C(=O)N(C)Cc1ccccc1O	190473071	BFNGYSLJZKXIMC-UHFFFAOYSA-N	263.322	1.824	10	20	CDCD	
CNC[C@@H](C)CNC(=O)N(C)Cc1ccc(N(C)C)cc1	1325324225	NDRHIDMSYAJGER-CYBMUJFWSA-N	292.427	1.750	10	20	CDCD	
Nc1ccc(CNC(=O)N[C@@H]2CCCOCC2)cc1	1336858403	IJQRFZBTOSRICJ-CYBMUJFWSA-N	263.341	1.637	10	20	CDCD	
C[C@@H]1C[C@@H](NC(=O)N[C@H](C)c2ccccc2O)C(=O)O1	1333807818	GRAFBULPPARRLL-FXPVBKGRSA-N	278.308	1.456	10	20	CDCD	
COc1ccc(CN=c2nc[nH]n2CC2CC2)c(O)c1	1348137444	LBRHPYTXCRNGRF-UHFFFAOYSA-N	274.324	1.436	10	20	CDCD	
CCCNCCNC(=O)N[C@H](C)c1ccccc1O	1353489311	OLBCCTLTPFDPKX-LLVKDONJSA-N	265.357	1.752	10	20	CDCD	
O=C(NCc1ccc(N2CCOCC2)cc1)[C@@H]1C[C@H]1F	1519019628	IYFPYZRNZGNPCN-ZIAGYGMSSA-N	278.327	1.497	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1CCC[C@@H](O)[C@H]1C(=O)O	1607667499	KYKWTQIHCOYDFT-CABCVRRESA-N	292.379	1.471	10	20	CDCD	
CCCC[C@@H](CN)NC(=O)c1ccc(C)c(O)c1O	1577397253	SPGDNUMPHCADHG-JTQLQIEISA-N	266.341	1.654	10	20	CDCD	
CCO[C@@H]1C[C@@H](NCc2ccccc2O)[C@@H]1OC	169222465	BLSVNOCUBCEFNF-BNOWGMLFSA-N	251.326	1.674	10	20	CDCD	
C[C@@H](CNC(=O)c1cccc(O)c1O)CN1CCCC1	126398703	QJYSNVSAEXZYFE-NSHDSACASA-N	278.352	1.560	10	20	CDCD	
Cc1ccc(CN2CCN3CCOC[C@H]3C2)c(O)c1	877330388	BQIBSQAXXPFHBN-CQSZACIVSA-N	262.353	1.217	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)CCn1ccnc1	263654839	GVTAPYKCZAZEJP-UHFFFAOYSA-N	259.309	1.637	10	20	CDCD	
O=C(CN[C@@H]1CCc2cccc(O)c21)NCC(F)F	296391786	JXIDCEBYKJBWCP-SECBINFHSA-N	270.279	1.350	10	20	CDCD	
COC[C@@H]1CN(Cc2cc(F)cc(F)c2O)CCO1	708385622	TXVGBLFHYMXSKN-NSHDSACASA-N	273.279	1.518	10	20	CDCD	
CN(C)C[C@H]1CCN(C(=O)Cc2ccc(N)cc2)C1	688453953	QZZAZDUOAMYLLO-CYBMUJFWSA-N	261.369	1.221	10	20	CDCD	
COC(=O)CCc1nc(CSc2nccs2)no1	110143441	GOURSRSDJMQMAF-UHFFFAOYSA-N	285.350	1.924	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)c2ccc[n+]([O-])c2)c1	103530527	XKZZKOBQTOIHBB-JTQLQIEISA-N	288.303	1.525	10	20	CDCD	
Cc1cc(COCC(=O)N(C)c2ccc(N)cc2)no1	1342241869	YKUJEFXRGMYMKX-UHFFFAOYSA-N	275.308	1.745	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NCc1cccc(CO)c1	180854802	OWTISZVYSVYKCY-FNORWQNLSA-N	299.326	1.920	10	20	CDCD	
COCCN(CC(=O)O)Cc1cc(F)ccc1O	234615248	IAYBJYWVZHBOMA-UHFFFAOYSA-N	257.261	1.064	10	20	CDCD	
C[C@@H](N[C@@H](CO)c1cnn(C)c1)c1cc(F)ccc1O	273526913	VKPHFRXHCYTQDC-RNCFNFMXSA-N	279.315	1.649	10	20	CDCD	
Cc1c(/C=C/C(=O)N2CCc3ccncc32)cnn1C	273464047	GQSCBISHMAEMEH-ONEGZZNKSA-N	268.320	1.726	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@H]2CCCC[C@@H]2O)c1O	278556060	AQZJARNUACMGJB-JQWIXIFHSA-N	296.323	1.702	10	20	CDCD	
CN(C)c1ccc([C@H]2NC(=O)[C@H]3CSCCN32)cc1F	270753084	CQXRZWXTTRICBM-OLZOCXBDSA-N	295.383	1.438	10	20	CDCD	
C[C@@H](NC[C@@H](O)C1CCOCC1)c1cc(F)ccc1O	273467816	JEQJOVQUUZZACC-MEBBXXQBSA-N	283.343	1.969	10	20	CDCD	
C[C@H](N[C@@H]1CC(=O)N(C)C1)c1ccc(F)c(F)c1O	276935606	OXWAGERGUNSWFR-JGVFFNPUSA-N	270.279	1.552	10	20	CDCD	
Cc1noc(CCCNC(=O)c2ccc(C)c(O)c2O)n1	272847183	SFNRXRKHOHNLDO-UHFFFAOYSA-N	291.307	1.460	10	20	CDCD	
Oc1ccc(F)cc1CN1CCOC[C@H]1[C@@H]1CCCO1	377701307	SOLJMDGYRJZDOK-ZFWWWQNUSA-N	281.327	1.911	10	20	CDCD	
C[C@@H]1COCC[C@@H]1CNC(=O)c1c(F)ccc(O)c1O	295688772	IVNKEVKWAWMNRI-RKDXNWHRSA-N	283.299	1.639	10	20	CDCD	
Cn1nccc1C(=O)NCc1ccc(N2CCCC2)cc1	299364359	RCTJOHADHAAXOS-UHFFFAOYSA-N	284.363	1.950	10	20	CDCD	
O=C(N[C@@H]1CCO[C@H](C2CC2)C1)c1c(F)ccc(O)c1O	296390802	UXJTUNKRZYTDPP-SKDRFNHKSA-N	295.310	1.924	10	20	CDCD	
CC[C@]1(C)CN(C(=O)c2c(F)ccc(O)c2O)CCO1	295968223	NEVYNJXSRUEFGV-CQSZACIVSA-N	283.299	1.878	10	20	CDCD	
CN(C[C@H](O)c1cccnc1)c1ccc2c(c1)OCO2	295013373	SVUAOCMSCRYGKO-ZDUSSCGKSA-N	272.304	1.980	10	20	CDCD	
CC(C)[C@](C)(O)C(=O)N1CCOc2cc(N(C)C)ccc21	563186235	WHTJDZFGWQOCJH-INIZCTEOSA-N	292.379	1.885	10	20	CDCD	
Cc1c(/C=C/C(=O)N2C[C@@H](CO)c3ccccc32)cnn1C	293852893	HSHLJALKSJGVPF-NPQIQWPPSA-N	297.358	1.864	10	20	CDCD	
C[C@H](C(=O)O)N(C)Cc1c(O)ccc2ccncc12	817779402	NLYUGYCMZTYRRJ-SECBINFHSA-N	260.293	1.845	10	20	CDCD	
C[C@@H](NCC1=CCNCC1)c1cc([N+](=O)[O-])ccc1O	817967622	KPWNNAUPQDDHPW-SNVBAGLBSA-N	277.324	1.871	10	20	CDCD	
Oc1cccc2c1[C@H](NC[C@@H]1C[C@H](F)CN1)CC2	817976796	UIZQYVAGVBKTTC-SDDRHHMPSA-N	250.317	1.669	10	20	CDCD	
COc1ccc(CNC[C@@H]2CCCN2CCCO)cc1C	824559561	VMCNKARQZUXDOM-INIZCTEOSA-N	292.423	1.940	10	20	CDCD	
O=C(/C=C\c1cccnc1)N1CCCn2nccc21	491477328	FNLJPEOKWRCPIT-PLNGDYQASA-N	254.293	1.728	10	20	CDCD	
CCN(CCO)Cc1ccc(Br)cc1O	824491284	PMQXDNZZRGPHEO-UHFFFAOYSA-N	274.158	1.969	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)NCCCc1nc[nH]n1	827883922	QQDBIYNZWOBLSQ-UHFFFAOYSA-N	289.339	1.285	10	20	CDCD	
C[C@@H](CNC(=O)NCc1ccccc1O)N(C)C	836623189	JTXVHFJYINRVCD-JTQLQIEISA-N	251.330	1.142	10	20	CDCD	
CNCCC(=O)NCc1c(O)ccc2c1CCCC2	830597123	ADFMYRINDASVHT-UHFFFAOYSA-N	262.353	1.497	10	20	CDCD	
CNC[C@@H]1C[C@H](F)CN1Cc1ccc(N(C)C)cc1	843121939	LXVRZVDKNINOMX-ZFWWWQNUSA-N	265.376	1.884	10	20	CDCD	
CNCCCN1CCCN(c2ccc(OC)cc2)CC1	844221304	BYWXHIBKCWZNRE-UHFFFAOYSA-N	277.412	1.817	10	20	CDCD	
COCCNC(=O)c1cc(C)n(-c2ccccn2)c1C	914845982	IVHNNTOHBMTDFY-UHFFFAOYSA-N	273.336	1.865	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC[C@]1(O)CCO[C@H]1C	840940951	OSTQOMVYDCHZDQ-XJKSGUPXSA-N	278.396	1.691	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CC[C@H]1C(N)=O	847500313	ICSGKOMFUPZHDA-ZIAGYGMSSA-N	289.379	1.189	10	20	CDCD	
CO[C@@H]1COC[C@@H]1N[C@H](C)c1cc(F)cc(F)c1O	840826051	FYNGVDOHKMYPJR-VSYUYLJXSA-N	273.279	1.735	10	20	CDCD	
O=[N+]([O-])c1cc(Cl)cc(CNC[C@H]2CCCN2)c1O	841036257	QMECOGOVLGXVTM-SNVBAGLBSA-N	285.731	1.795	10	20	CDCD	
CCOc1ccc(CNC[C@@H](N)C2CC2)c(O)c1	841051248	XDKIRHFKLNERDB-CYBMUJFWSA-N	250.342	1.618	10	20	CDCD	
C[C@H]1CN(Cc2cc3c(cc2O)OC[C@@H]3O)C[C@@H](C)N1C	840090222	NIKDBIBRMAUZCL-RWSFTLGLSA-N	292.379	1.342	10	20	CDCD	
CCN1C[C@H](CNC(=O)NCc2ccccc2O)CC1=O	844938507	HXYVGVIEJBAADV-NSHDSACASA-N	291.351	1.060	10	20	CDCD	
OCC1(CSc2ncc(Cl)s2)COC1	849999978	FKDRWRWUIHROGR-UHFFFAOYSA-N	251.760	1.898	10	20	CDCD	
CCN(CC)c1ccc(CN2CCN(C)C[C@@H]2CN)cc1	843120339	GHZFTRQPTXCEFJ-KRWDZBQOSA-N	290.455	1.608	10	20	CDCD	
CN(CCCN)C(=O)NCc1ccc(N(C)C)cc1	841652741	FWUPKCWCVPOVSL-UHFFFAOYSA-N	264.373	1.243	10	20	CDCD	
COCCOC[C@H](C)NCc1cc(C)ccc1O	742377556	VSHKTLUKJJWVCZ-LBPRGKRZSA-N	253.342	1.842	10	20	CDCD	
C[C@H](C[S@](C)=O)N(C)Cc1cc(F)ccc1O	130871929	SDDNZXWSWPBPCH-VVVCHXIZSA-N	259.346	1.730	10	20	CDCD	
Oc1cccc2c1[C@H](NCCN1CC[C@H](O)C1)CC2	858601053	AWPPLYQJYSUFIW-QWHCGFSZSA-N	262.353	1.036	10	20	CDCD	
C[C@H](NCc1ccc2c(c1)CCO2)c1cc(CO)on1	924901165	QHVVBKZQSCSRTN-JTQLQIEISA-N	274.320	1.953	10	20	CDCD	
COc1cc(C)cc(CN2[C@H]3CC[C@H]2CC(=O)NC3)c1O	754738357	ZXSIEHNNZSDHDM-STQMWFEESA-N	290.363	1.562	10	20	CDCD	
C[C@H](CCNC(=O)NCc1ccc(N(C)C)cc1)N(C)C	853244406	LMHZTTMQSMCQPB-CYBMUJFWSA-N	292.427	1.892	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)N[C@H]2C[C@H](O)C2)cc1	853456535	LGQJYOHDFZBRGL-CTYIDZIISA-N	291.395	1.855	10	20	CDCD	
CN1CCN(c2ccc(CN3C[C@H]4C[C@H]4C3)cc2)CC1	862443032	KROQZTGOKZPWNU-IYBDPMFKSA-N	271.408	1.890	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)CCc1ncc[nH]1	935946075	WNNQSRSBXRRAAM-UHFFFAOYSA-N	294.351	1.850	10	20	CDCD	
CN(C)c1ccc(CN2C(=O)N[C@@H](CC3CC3)C2=O)cc1	760949265	LBOBMTOUHXYZJM-AWEZNQCLSA-N	287.363	1.973	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)COCc2ncc(C)o2)c1	862755409	GOVWYBUMLUWMNR-UHFFFAOYSA-N	290.319	1.830	10	20	CDCD	
CCN1C[C@@H](C(=O)NCc2cc(C)ccc2O)CC1=O	862759913	MUDLTKILXGHRJT-LBPRGKRZSA-N	276.336	1.185	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)NCCc1cnccn1	779544043	HBZAUFFCEXEWIM-RQOWECAXSA-N	285.303	1.260	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CCN(C)C2=O)c1	773408123	QUZNJDBYQIJWQY-KOLCDFICSA-N	292.335	1.056	10	20	CDCD	
Cc1cccc(O)c1CN1CC[S@@](=O)C[C@H](C)C1	877477449	FDNVPIMEXWXEEX-ADLMAVQZSA-N	267.394	1.901	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@@H]1CCC[C@@H](C(N)=O)C1	787119478	BLKRQGRHPRHQON-VXGBXAGGSA-N	290.363	1.642	10	20	CDCD	
C[C@@H]1NC(=O)[C@@H](C)N(Cc2ccc(N(C)C)cc2)[C@@H]1C	895114565	MOWQATDBZOKKQN-YNEHKIRRSA-N	275.396	1.850	10	20	CDCD	
CCn1cccc(CNCc2cc(OC)ccc2O)c1=O	789753022	YGKFSMZQXDNERH-UHFFFAOYSA-N	288.347	1.872	10	20	CDCD	
COc1ccc(CN2CCO[C@H](OC)C2)c(O)c1OC	895963862	KPPQBPCXIHGILJ-LBPRGKRZSA-N	283.324	1.214	10	20	CDCD	
COC1(C(=O)NCCc2ccc(O)c(O)c2)CCC1	272732260	BBEZTEUVNZTWSR-UHFFFAOYSA-N	265.309	1.326	10	20	CDCD	
Cc1noc(CCC(=O)N(C)c2ccc(N)cc2)n1	702127514	YWZKHOKFTQESPN-UHFFFAOYSA-N	260.297	1.556	10	20	CDCD	
COc1ccc(CNC(=O)Nc2cc(C)nn2C)c(O)c1	794761970	NJWDJURSUWWBNN-UHFFFAOYSA-N	290.323	1.764	10	20	CDCD	
CN(Cc1ccc(N2CCOCC2)cc1)Cc1cnc[nH]1	796439315	NYBRZRNMVBUKOO-UHFFFAOYSA-N	286.379	1.878	10	20	CDCD	
COc1ccc(CNC(=O)c2nonc2C)c(O)c1	794379606	SHNQEQUQIPHECY-UHFFFAOYSA-N	263.253	1.022	10	20	CDCD	
CCN[C@@H](C)C(=O)N(C)Cc1ccc(N(C)C)cc1	707937114	GMDGMFVBQLTZLY-LBPRGKRZSA-N	263.385	1.709	10	20	CDCD	
COc1coc(C(=O)N(C)Cc2ccccc2O)cc1=O	798976892	LPAPKXZQWITQLH-UHFFFAOYSA-N	289.287	1.626	10	20	CDCD	
COc1ccc(NC(=O)c2cccc(O)c2O)c(OC)n1	790591436	NPFPMNSAERMKPN-UHFFFAOYSA-N	290.275	1.762	10	20	CDCD	
Cc1cc(N(C)Cc2ccc(N(C)C)cc2)nc(CO)n1	1323064791	WOUVDFBKYGCVIX-UHFFFAOYSA-N	286.379	1.980	10	20	CDCD	
Cn1cnnc1C1CCN(Cc2ccc(N)cc2)CC1	1337834001	JOUKJPNEZBCCFS-UHFFFAOYSA-N	271.368	1.777	10	20	CDCD	
Nc1ccc(CN[C@@H]2C[C@@H]3CCCCN3C2=O)cc1	1334774470	IVXQWPUEPDUNHC-UONOGXRCSA-N	259.353	1.512	10	20	CDCD	
Cn1nc(C2CC2)cc1C(=O)NCc1ccc(N)cc1	1341931001	IZNBSRBCQOIWPD-UHFFFAOYSA-N	270.336	1.810	10	20	CDCD	
CC(=O)C(=O)COC(=O)CC1(CC(=O)O)CCCC1	1602993064	BWLKUMJGJKLYRR-UHFFFAOYSA-N	270.281	1.113	10	20	CDCD	
Cc1nnc(CCN(C)c2ccc(OCC(=O)O)cc2)o1	1600794627	SCMJWEPTIBQBDW-UHFFFAOYSA-N	291.307	1.520	10	20	CDCD	
COc1ccc(O)c([C@H](C)N[C@@H](C)C(=O)NC(C)C)c1	228930257	OFNGBIHDBFKCBL-QWRGUYRKSA-N	280.368	1.965	10	20	CDCD	
CCOc1ccc(O)c(CN2CCC[C@@H](O)[C@H]2C(=O)O)c1	1597130549	SHEHLBUGWKWASZ-KGLIPLIRSA-N	295.335	1.201	10	20	CDCD	
CO[C@]1(C)CCCN(C(=O)c2cccc(O)c2O)C1	230268832	OEEDGSCHICTOCF-CQSZACIVSA-N	265.309	1.739	10	20	CDCD	
CCc1cccc(CN2CCN3CCOC[C@@H]3C2)c1O	848902005	IPAQOQPANCZUBY-HNNXBMFYSA-N	276.380	1.471	10	20	CDCD	
COCC[C@](C)(O)CNCc1c(C)cccc1O	877034482	IOGHEGCDEDTGHP-AWEZNQCLSA-N	253.342	1.578	10	20	CDCD	
O=C1NCCCC[C@@H]1NCc1ccc2c(c1)CCO2	37363245	VMLJXUCBCVIKFZ-ZDUSSCGKSA-N	260.337	1.380	10	20	CDCD	
C[C@@H]1CN(C(=O)c2cccc(O)c2O)C[C@]1(C)CO	703710707	SMQSNIXAAJIJEU-YMTOWFKASA-N	265.309	1.188	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CC(=O)N(C)C2)c1	103529892	BQIHVAXXTZXDND-UWVGGRQHSA-N	292.335	1.056	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CCC[C@H](O)C2)c1O	50152784	JFUSGVAMBQKXJY-LBPRGKRZSA-N	267.300	1.691	10	20	CDCD	
Cn1nccc1C(=O)NCc1c(O)ccc2c1CCCC2	174511479	AWTIAFVPZSEYBR-UHFFFAOYSA-N	285.347	1.935	10	20	CDCD	
COC[C@@H](O)CCNCc1cc(Cl)ccc1O	231606398	NKXVHXUILGCAAO-NSHDSACASA-N	259.733	1.533	10	20	CDCD	
Cc1ccc(O)c([C@@H](C)NCCCOCCO)c1	186513913	IWWYIGVRRNACIO-GFCCVEGCSA-N	253.342	1.750	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)c1cnc2c(c1)nnn2C	182725248	JARIJUBEUABARR-UHFFFAOYSA-N	297.318	1.341	10	20	CDCD	
COC1CN(c2ccc(/C=C/C(=O)O)cc2[N+](=O)[O-])C1	312229687	DIJSRWVBEWOYKO-HWKANZROSA-N	278.264	1.528	10	20	CDCD	
CNC[C@H]1CCCN(C(=O)Cc2ccc(N)cc2)C1	158901566	HPSRHDGBMWGMPJ-CYBMUJFWSA-N	261.369	1.269	10	20	CDCD	
CC(C)CN1CC(=O)N[C@H]1c1ccc(O)c(O)c1	77474097	OPCDSXQOHWXXCJ-CYBMUJFWSA-N	250.298	1.184	10	20	CDCD	
CCNS(=O)(=O)[C@@H]1CCN(Cc2cccc(C)c2O)C1	181564132	WZEFGAWLCPBAGY-CYBMUJFWSA-N	298.408	1.214	10	20	CDCD	
COCCCC(=O)NCc1ccc(N(C)C)cc1	49602234	LHXCYBUYSGANMB-UHFFFAOYSA-N	250.342	1.795	10	20	CDCD	
CCCOc1ccc(CN[C@@H](C)C(=O)N(C)C)c(O)c1	191734130	RXVHUWNYRPXJQH-NSHDSACASA-N	280.368	1.747	10	20	CDCD	
COCCN(CCCO)c1ccc(OC)c(OC)c1	81156033	MKHVALNKXKQBLE-UHFFFAOYSA-N	269.341	1.539	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)c1nc[nH]n1	269576918	OYRQAOHRXMZOIL-UHFFFAOYSA-N	260.297	1.563	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCO[C@H](C)C1	274898879	FTRUWMGCHWXYFI-WZRBSPASSA-N	293.363	1.960	10	20	CDCD	
C[C@H](O)CCN(C)C(=O)c1c(F)ccc(O)c1O	276512734	FCYRJSUQJXEDLQ-ZETCQYMHSA-N	257.261	1.080	10	20	CDCD	
CCOc1cc(O)ccc1NS(=O)(=O)c1cn[nH]c1C	276780032	BWLZKPSISVJUJN-UHFFFAOYSA-N	297.336	1.623	10	20	CDCD	
COc1ccc(O)c(CN2CC([C@H]3CCOC3)C2)c1	368443842	WEHWTLSNYGKXJT-NSHDSACASA-N	263.337	1.869	10	20	CDCD	
Cc1ccc(C(=O)NCCSCCCO)c(O)c1O	271244180	FUSVFGOAAGAUKK-UHFFFAOYSA-N	285.365	1.252	10	20	CDCD	
COC(=O)[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C1CC1	272669924	QCXMTHDQPXFHQT-UFZAZABTSA-N	291.303	1.179	10	20	CDCD	
Cc1c(/C=C/C(=O)N2C[C@H](O)Cc3ccccc32)cnn1C	279453994	DPMUFZHHJNPZEW-MVGZEHJDSA-N	297.358	1.692	10	20	CDCD	
CC[C@]1(C(=O)NCc2ccc(N(C)C)c(F)c2)CCNC1	370842030	CKEWWXIEHYBWGE-INIZCTEOSA-N	293.386	1.898	10	20	CDCD	
CCN1CCN(Cc2cc(OC)c(OC)cc2O)[C@@H](C)C1	289643566	MKHVCQFNICJFFL-LBPRGKRZSA-N	294.395	1.935	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)NOCC1CC1	297319609	LTLOBGDGTUVLLG-UHFFFAOYSA-N	250.298	1.875	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC[C@H](O)CN(C)C2CC2)c1	809972076	QHFBJHVEBPQARM-AAEUAGOBSA-N	294.395	1.507	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)Nc1cnnn1C	809907101	YTOAKCCWGGDCDH-UHFFFAOYSA-N	288.355	1.511	10	20	CDCD	
CC(=O)c1cn(CC(=O)N[C@H](C)c2ccccc2O)nn1	827952188	JCILCNDZYFZHIN-SECBINFHSA-N	288.307	1.064	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)CCCN)c1	828667532	SATFOWJXEKUDDB-VIFPVBQESA-N	252.314	1.317	10	20	CDCD	
CCO[C@@H]1COC[C@H]1NCc1cccc(OC)c1O	825197353	VUMABRWTZKMCEV-DGCLKSJQSA-N	267.325	1.294	10	20	CDCD	
COC(=O)N[C@H](C(=O)N[C@H](C)c1ccccc1O)C(C)C	827936830	DCBBOQQVNGMMAD-MFKMUULPSA-N	294.351	1.950	10	20	CDCD	
C[C@@H](NC(=O)[C@@H](C)N1C(=O)CCC1=O)c1ccccc1O	827922977	GDPGSIDMWAUZDW-NXEZZACHSA-N	290.319	1.107	10	20	CDCD	
C[C@H]1C[C@H](NC(=O)c2c(F)ccc(O)c2O)c2nccn21	839786180	MWCDKEZVBHKJNS-CBAPKCEASA-N	291.282	1.869	10	20	CDCD	
CC[C@@H](CSC)NC(=O)C(=O)Nc1ccc(N)cc1	841078763	KEWQUTQXPWQMBK-JTQLQIEISA-N	281.381	1.465	10	20	CDCD	
CCOCC(=O)N(C)CCN(C)c1ccc(OC)cc1	844852016	DTACNHBHBMPTEP-UHFFFAOYSA-N	280.368	1.626	10	20	CDCD	
C[C@@H](NC[C@@H]1CCCNC1=O)c1cc(F)cc(F)c1O	840826407	XJYIAYAIGHFICV-BDAKNGLRSA-N	284.306	1.847	10	20	CDCD	
NC(=O)[C@@H]1CC[C@@H]1C(=O)NCCCSc1nccs1	847487320	BPAUEFOOXFLFPD-BDAKNGLRSA-N	299.421	1.253	10	20	CDCD	
CCN1C[C@@H](CNCc2ccc(N(C)C)c(F)c2)CC1=O	846092343	CRTBDDJUTCJDNE-CYBMUJFWSA-N	293.386	1.850	10	20	CDCD	
CN1C(=O)C2(CCCC2)N[C@H]1c1cc(F)ccc1O	742438756	DWSBDYYUBTYBDT-GFCCVEGCSA-N	264.300	1.904	10	20	CDCD	
CCOCCO[C@H]1CCN(C(=O)c2cc(O)cs2)C1	750540359	YSZKLPZEFCCLMF-NSHDSACASA-N	285.365	1.721	10	20	CDCD	
COc1cccc(CN2CC[C@H](C)[C@H](CO)C2)c1O	857061086	JMZVIMAIWYSTDM-AAEUAGOBSA-N	265.353	1.851	10	20	CDCD	
CCN1CCC[C@@H](NC(=O)c2cc(O)cs2)C1=O	928870336	STNYMMRGDAIBCH-SECBINFHSA-N	268.338	1.194	10	20	CDCD	
O=C(NOCC1CCC1)c1c(F)ccc(O)c1O	857338995	LEZSYSORDPBKNJ-UHFFFAOYSA-N	255.245	1.698	10	20	CDCD	
CC(C)(CNCc1ccc(N2CCOCC2)cc1)C(=O)O	756306221	JKNIUEHMZJBULO-UHFFFAOYSA-N	292.379	1.724	10	20	CDCD	
Cc1ccc([C@H](C)N[C@@H]2CCOC[C@H]2O)c(O)c1C	858553649	SVIOGQSSRASIGK-IACUBPJLSA-N	265.353	1.809	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCO[C@@H]2CCC[C@@H]21	862860067	UPYZLSINPJVCCT-VHSXEESVSA-N	253.323	1.847	10	20	CDCD	
CC1(O)CCN(Cc2cc3c(cc2O)OC[C@@H]3O)CC1	768463442	IYQJQRGLHQJQGP-ZDUSSCGKSA-N	279.336	1.165	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@](C)(O)COC	764895858	WUMQWMGUMHATJC-INIZCTEOSA-N	294.395	1.499	10	20	CDCD	
CC(=O)N1CC[C@@](C)(C(=O)N(C)c2ccc(N)cc2)C1	877077335	DLAOZFPRIJDETN-OAHLLOKOSA-N	275.352	1.490	10	20	CDCD	
C[C@H](NC(=O)c1cccc[n+]1[O-])c1ccc(N(C)C)cc1	773000898	QKOIKKAKRQRUNK-LBPRGKRZSA-N	285.347	1.877	10	20	CDCD	
Oc1ccccc1CNc1nccc(N2CCOCC2)n1	774524146	OOPSNOGKXDBDTD-UHFFFAOYSA-N	286.335	1.631	10	20	CDCD	
C[C@@H](NC(=O)c1ccn(C)c(=O)c1)c1ccc(N(C)C)cc1	773020419	UJWQMAIEGXAUIR-GFCCVEGCSA-N	299.374	1.942	10	20	CDCD	
Cc1ccc(CC(=O)NCc2ccc(O)c(O)c2)cc1O	778929764	NNXIZMFYRDCUJI-UHFFFAOYSA-N	287.315	1.971	10	20	CDCD	
O=C(Cc1cncs1)NCc1ccc(O)c(O)c1	783678057	BLRWCCHOOQEZSM-UHFFFAOYSA-N	264.306	1.413	10	20	CDCD	
CCOC(=O)C[C@H](C)NC(=O)c1ccc(C)c(O)c1O	780970495	YPQNUDGEGMSITJ-VIFPVBQESA-N	281.308	1.478	10	20	CDCD	
COC(=O)[C@](C)(CO)NCc1cc(Cl)c(C)cc1O	894971575	DRWCRKMIMISLCG-ZDUSSCGKSA-N	287.743	1.368	10	20	CDCD	
Cc1ccc(O)c(CNCCCN2CCOCC2)c1	71406594	LBSNLQWQWPFPLJ-UHFFFAOYSA-N	264.369	1.513	10	20	CDCD	
Cn1cnnc1CNCc1c(O)cccc1Cl	83551863	GJEZCZQKOIGGKO-UHFFFAOYSA-N	252.705	1.464	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CCCCO	92173178	MBECFBJGCJTHQQ-UHFFFAOYSA-N	264.369	1.874	10	20	CDCD	
Cc1nnc(CNC(=O)NCc2ccccc2O)o1	1318306929	SVWDKWIKOLUTQF-UHFFFAOYSA-N	262.269	1.083	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NC/C=C\CO)cc1F	1327698007	IRHGNUPYCYXIBZ-ARJAWSKDSA-N	281.331	1.239	10	20	CDCD	
Cc1ccc(O)c(CNS(=O)(=O)CC[C@@H]2CCCO2)c1	1329239208	QSTHDTGQVLXSRE-ZDUSSCGKSA-N	299.392	1.689	10	20	CDCD	
CC[C@H](CN1CCCC1)NC(=O)NCc1ccc(N)cc1	1337016711	VIGNGNDGYOCXKU-OAHLLOKOSA-N	290.411	1.942	10	20	CDCD	
CN1CCCc2cc(CNC(=O)NC3(C)COC3)ccc21	1336314488	GYUNHWTYFWWQFO-UHFFFAOYSA-N	289.379	1.657	10	20	CDCD	
CCOCCN(C)C(=O)NCc1ccc(N)cc1	1336290017	FTCFFHFZTHBVQW-UHFFFAOYSA-N	251.330	1.447	10	20	CDCD	
Nc1ccc(CNC(=O)N[C@@H]2CCN3CCC[C@@H]3C2)cc1	1336225979	UWTPEXNLEGZIIE-HUUCEWRRSA-N	288.395	1.695	10	20	CDCD	
Nc1ccc(CNC(=O)N[C@H]2CCCOCC2)cc1	1336858405	IJQRFZBTOSRICJ-ZDUSSCGKSA-N	263.341	1.637	10	20	CDCD	
O=C(O)[C@H](Cc1cc[nH]n1)NCc1ccc2c(c1)CCO2	1334408808	WOORJVUNBWAUSY-ZDUSSCGKSA-N	287.319	1.130	10	20	CDCD	
CCOc1ccc(CN2CCOC[C@H]2CC(=O)O)c(O)c1	1605691752	MUJFDQBFUWCFMC-GFCCVEGCSA-N	295.335	1.466	10	20	CDCD	
O=C(O)c1ccccc1C(=O)NCc1c(O)cccc1O	1608944874	YLAVRZXOKOETTK-UHFFFAOYSA-N	287.271	1.726	10	20	CDCD	
COc1ccc(N2CCC(N[C@H](CF)C(=O)O)CC2)cc1	1610339195	KIIKNNYXFOCXIX-CQSZACIVSA-N	296.342	1.676	10	20	CDCD	
O=C(NCc1c(O)ccc2ccccc12)[C@@]1(F)CCNC1	1580708070	IUNZPUGCQQDFNE-MRXNPFEDSA-N	288.322	1.863	10	20	CDCD	
COC(=O)[C@@H]1CN(Cc2cc(C)ccc2O)C[C@H]1C(=O)O	1598828157	OHJWWYAASYKDEZ-VXGBXAGGSA-N	293.319	1.006	10	20	CDCD	
C[C@@H](NC[C@@H]1CCCO1)c1cc(C(=O)O)ccc1O	1593256439	HRGMCHYRIOBDRH-KOLCDFICSA-N	265.309	1.920	10	20	CDCD	
Cc1ccc(O)c(CNc2cncc(-c3nn[nH]n3)n2)c1	1592185817	CORWAHLGURBSSW-UHFFFAOYSA-N	283.295	1.283	10	20	CDCD	
Cc1cc(O)c(CN(CC(N)=O)C(C)C)cc1C	161666638	HHZPHIBGOLQKPK-UHFFFAOYSA-N	250.342	1.705	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)c1ccccc1[N+](=O)[O-]	158964640	KJLCNAVCUNOJLZ-UHFFFAOYSA-N	288.259	1.936	10	20	CDCD	
Cn1nccc1CN1CCCc2cc(CN)ccc21	843057894	WZHTZXOFOITJPZ-UHFFFAOYSA-N	256.353	1.832	10	20	CDCD	
CON(C)CCN[C@@H](C)c1ccc(N(C)C)cc1	850479990	HWQPLKKMNHPWSA-LBPRGKRZSA-N	251.374	1.896	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CSCN1	37801143	GBAXTQWYINRYNL-CYBMUJFWSA-N	279.409	1.374	10	20	CDCD	
Oc1ccc(Cl)cc1CNC[C@H]1CN2CCC[C@H]2CO1	252667181	GIANITUMOFASPP-KBPBESRZSA-N	296.798	1.998	10	20	CDCD	
CCc1nc(CN[C@H](C)c2cc(OC)ccc2O)n[nH]1	160415131	YAIHUSUUQNGEOP-SECBINFHSA-N	276.340	1.932	10	20	CDCD	
O=C(NCCOC(F)(F)F)c1cccc(O)c1O	398175981	JXPFAQXIFWQVTE-UHFFFAOYSA-N	265.187	1.364	10	20	CDCD	
CN(Cc1c(O)ccc2ccccc12)[C@H]1CCNC1=O	758401009	PJRAPEUDMPKFBH-AWEZNQCLSA-N	270.332	1.866	10	20	CDCD	
COC(=O)C[C@@H]1CSCCN1Cc1ccc(N)cc1	1345159134	CDTJLHVWWARZEL-CYBMUJFWSA-N	280.393	1.749	10	20	CDCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CC(O)C2)cc1	305121547	JRURBBDQYSNKQS-UHFFFAOYSA-N	270.332	1.911	10	20	CDCD	
C[C@@]1(O)CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2O)C1	180188403	FYQYACKNZUDMQX-GFCCVEGCSA-N	286.715	1.911	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)C(=O)Nc1ccccc1	122328606	JUBPQCISOFSEHU-UHFFFAOYSA-N	284.315	1.989	10	20	CDCD	
CCNC(=O)[C@@H](C)N[C@@H](C)c1cc(F)ccc1O	94617129	KTXIUPQKZAYRGY-DTWKUNHWSA-N	254.305	1.707	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)CC[C@@H]1CCCN1	292174186	WHMKRHXKXWAQLG-ZDUSSCGKSA-N	262.353	1.883	10	20	CDCD	
C[C@H]1CCN(C(=O)Cc2ccc(N)cc2)[C@@H](CN)C1	261672197	CSTMARSGWGKZJF-SMDDNHRTSA-N	261.369	1.397	10	20	CDCD	
CCN(CC)c1ccc(CNC[C@]2(O)CCOC2)cc1F	270012881	UUKDPOXJTAYVCF-MRXNPFEDSA-N	296.386	1.913	10	20	CDCD	
COCC(=O)NCc1cccc(Br)c1O	277572458	QSLZEKXMGRXZNA-UHFFFAOYSA-N	274.114	1.417	10	20	CDCD	
CO[C@@H]1[C@H]2C[C@@H]3CN(C(=O)c4cccc(O)c4O)[C@H]1[C@H]3C2	376155853	GBWQUELAQCMSQE-PZRYGBSRSA-N	289.331	1.593	10	20	CDCD	
CN(Cc1ccccc1O)S(=O)(=O)CCCCF	288223435	RLVWSWSLPAWZAI-UHFFFAOYSA-N	275.345	1.904	10	20	CDCD	
COc1cccc(CNC(=O)[C@@H]2C[C@@]23CCOC3)c1O	373399633	ROOQVMSQOLWHIP-XHDPSFHLSA-N	277.320	1.444	10	20	CDCD	
CCCCN(Cc1ccccc1O)C(=O)CCNC(N)=O	282349837	AKTJWZQXBWDBBC-UHFFFAOYSA-N	293.367	1.579	10	20	CDCD	
CO[C@@H](C(=O)NCc1ccc(O)c(O)c1)C1CC1	281416966	CYVZODDDAPDNFR-GFCCVEGCSA-N	251.282	1.139	10	20	CDCD	
CNC(=O)C1CN(Cc2cccc(Cl)c2O)C1	297479260	TZWMMNFSQZNILB-UHFFFAOYSA-N	254.717	1.223	10	20	CDCD	
Cc1cnn([C@@H]2CCN(C(=O)c3cccc(O)c3O)C2)c1	290884612	AFXVRUNHWJFJEN-LLVKDONJSA-N	287.319	1.690	10	20	CDCD	
C[C@H](OC(=O)c1cccc(O)c1O)c1nncn1C	805531854	IEILRNWDGQMFFA-ZETCQYMHSA-N	263.253	1.144	10	20	CDCD	
CC(=O)C(=O)COC(=O)c1cc2ccccc2oc1=O	808489631	WJARRSABIMXGKB-UHFFFAOYSA-N	274.228	1.108	10	20	CDCD	
COc1cccc(CN(C)C[C@H](O)C(F)(F)F)c1O	809751912	XOAHAAXAZBZLSM-JTQLQIEISA-N	279.258	1.756	10	20	CDCD	
Cc1nccn1CC(=O)NCc1ccc(N(C)C)c(F)c1	297982225	YENIXLUZWSIIIT-UHFFFAOYSA-N	290.342	1.713	10	20	CDCD	
COc1cccc(CNC(=O)N[C@H]2CSC[C@@H]2C)c1O	807474266	FRMOQSMYTRUVAP-ONGXEEELSA-N	296.392	1.952	10	20	CDCD	
C[C@@H](N[C@@H]1CCNC1)c1ccc(N2CCOCC2)c(F)c1	817945034	RVLRFOLBVMWWNU-TZMCWYRMSA-N	293.386	1.675	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)c1cccc(CO)c1	813488861	HSUKLDRGWNGKBE-UHFFFAOYSA-N	287.315	1.563	10	20	CDCD	
COc1cc(C)cc(CN(C)[C@@H](C)C(=O)O)c1O	820759713	ZFFVKFNPMTUGKI-VIFPVBQESA-N	253.298	1.614	10	20	CDCD	
O=C1CN(C(=O)/C=C\c2cncc(F)c2)c2ccncc2N1	491939121	OCVTZZXSWZHFHF-UPHRSURJSA-N	298.277	1.614	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H](C)NC2CC2)c1	828666756	IFMAQEXJKVZNAD-VHSXEESVSA-N	278.352	1.719	10	20	CDCD	
CN(C)c1ccc(/C=C/CN2CCO[C@@H](C(=O)O)C2)cc1	901488688	DWHQAIPMQXGBIF-NHZBNJEXSA-N	290.363	1.551	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N(C)[C@H](C)C(=O)O	909043234	OWEYAAYWIRAZQS-LLVKDONJSA-N	293.367	1.676	10	20	CDCD	
CCC[C@@H](O)CCNC(=O)/C=C/c1ccc(O)c(O)c1	832660790	GJGDDNGTLWBLAO-HOSRBBHYSA-N	279.336	1.778	10	20	CDCD	
O=C(C[C@H]1CC(=O)N1)NCc1c(O)ccc2c1CCCC2	830559296	LWCJBTYEWLIGPL-NSHDSACASA-N	288.347	1.166	10	20	CDCD	
CCCN(C)CC(=O)NCc1cc(OC)ccc1O	734015285	GKMBLUWLUUQILD-UHFFFAOYSA-N	266.341	1.359	10	20	CDCD	
CCO[C@@H]1C[C@@](N)(C(=O)Nc2ccc(N)cc2)C1(C)C	832244806	XEUDTKZUASTPSH-IUODEOHRSA-N	277.368	1.740	10	20	CDCD	
COC[C@@](C)(O)CNCc1ccc(N(C)C)cc1C	840933528	GMKYGMOUYYORBK-HNNXBMFYSA-N	266.385	1.548	10	20	CDCD	
CCS(=O)(=O)C1CN(Cc2cc(Cl)ccc2O)C1	841886397	PRNLLCHSVSPFFP-UHFFFAOYSA-N	289.784	1.665	10	20	CDCD	
CC[C@@H](C)NC(=N)NCc1ccc(OC)cc1O	849025145	PTQHYKVIWVFORL-SECBINFHSA-N	251.330	1.813	10	20	CDCD	
C[C@H]1CCCN(Cc2cc3c(cc2O)OCO3)[C@@H]1CN	843052197	PCFGBJYNQUGFJY-CMPLNLGQSA-N	278.352	1.680	10	20	CDCD	
CN1C(=O)CCC[C@H]1C(=O)NCc1cc(Cl)ccc1O	911896425	ATAUMSFNSDUCKA-NSHDSACASA-N	296.754	1.673	10	20	CDCD	
COc1ccc(O)c(CNC[C@@H]2C[C@H](F)CN2)c1	841079192	MUKFYHLKBUPJDT-QWRGUYRKSA-N	254.305	1.190	10	20	CDCD	
CCc1cccc(CN2CCNC(=O)C[C@@H]2C)c1O	848912397	QMPYTHAVHRNJQB-NSHDSACASA-N	262.353	1.665	10	20	CDCD	
CN(C)c1ccc(CNC[C@@H]2C[C@H](F)CN2)cc1F	841078453	HWSLEGMMHBRQDT-RYUDHWBXSA-N	269.339	1.681	10	20	CDCD	
OC[C@H](NCc1ccc2c(c1)CCO2)[C@@H]1CCCOC1	840964289	YXGHSNGCLIWNBP-CABCVRRESA-N	277.364	1.499	10	20	CDCD	
CN1C(=O)C(=Cc2ccc(C3CC3)cc2)C(=O)N(C)C1=O	840713559	SUVAVUFIVHCZBI-UHFFFAOYSA-N	284.315	1.998	10	20	CDCD	
COc1ccc(O)c([C@H](C)NCCN2CC[C@H](O)C2)c1	858602175	SDZPHOSELVXRKB-RYUDHWBXSA-N	280.368	1.118	10	20	CDCD	
C[C@H]1CCN(C(=O)c2c(F)ccc(O)c2O)C[C@H]1CO	857361179	MTOGFOKHQVHNQW-IUCAKERBSA-N	283.299	1.327	10	20	CDCD	
CON(C)C(=O)[C@@H](C)NCc1ccc(N(C)C)c(F)c1	858325488	ZEPVTZSIUCVMBZ-SNVBAGLBSA-N	283.347	1.390	10	20	CDCD	
CCCN(Cc1nc(=O)n(C)[nH]1)Cc1ccccc1O	754048332	FPCRAVIJEIHVQU-UHFFFAOYSA-N	276.340	1.226	10	20	CDCD	
COCCN(C)C(=O)NCCCSc1nccs1	759602756	ZHUUFQIVTCDRFS-UHFFFAOYSA-N	289.426	1.913	10	20	CDCD	
CCOC1CC(O)(CNCc2c(O)cccc2OC)C1	767736431	FUFNKBKQHNLINM-UHFFFAOYSA-N	281.352	1.420	10	20	CDCD	
CCC[C@H](O)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	935309794	FNLYBCJEGYEGJX-CABZTGNLSA-N	267.325	1.306	10	20	CDCD	
CC(C)OC(=O)[C@H](C)N(C)C(=O)c1cc(O)cs1	760151553	DZHGELACFBIVPN-QMMMGPOBSA-N	271.338	1.866	10	20	CDCD	
O=C1CN(Cc2c(O)cccc2Br)CCCN1	862233032	FKSRVVZSTRARGP-UHFFFAOYSA-N	299.168	1.477	10	20	CDCD	
CCc1cccc(CN2C[C@@](C)(CO)[C@@](C)(CO)C2)c1O	862519013	OWGXEKAESDCFQF-CALCHBBNSA-N	293.407	1.767	10	20	CDCD	
CCC[C@@H](O)CCNC(=O)Cc1ccc(N)cc1	1341085862	COZHXUTXTPKOKX-CYBMUJFWSA-N	250.342	1.479	10	20	CDCD	
COC(=O)[C@@H]1CN(Cc2ccc(C)cc2O)C[C@H](C)O1	877612623	RZANZACIIYUYQP-FZMZJTMJSA-N	279.336	1.463	10	20	CDCD	
C[C@@H](NC[C@H](O)COC1CCOCC1)c1ccccc1O	879648303	JFKVURYSWUDBKK-OLZOCXBDSA-N	295.379	1.599	10	20	CDCD	
COCCO[C@H]1COCC[C@H]1NCc1cc(C)ccc1O	776812588	LIPDTFILXYFFGE-ZBFHGGJFSA-N	295.379	1.611	10	20	CDCD	
C[C@H]1C[C@@H](C(=O)NCc2ccc(O)c(O)c2)CCC1=O	778919620	HFZIOJDSGMKYPK-ONGXEEELSA-N	277.320	1.719	10	20	CDCD	
C[C@H](NC[C@@H](O)Cn1cccn1)c1ccc(N(C)C)cc1	775833489	JXOKFGCHLCKCIA-XJKSGUPXSA-N	288.395	1.661	10	20	CDCD	
CCc1nn(C)cc1S(=O)(=O)Nc1ccc(O)c(C)c1	882709529	AJSKRBJEMKUVFP-UHFFFAOYSA-N	295.364	1.797	10	20	CDCD	
COCC[C@H](N)C(=O)NCCCSc1nccs1	884138785	ZGDWGJBSKHGYAB-VIFPVBQESA-N	289.426	1.105	10	20	CDCD	
COc1cc(O)c(CN[C@@H](C)c2ncn(C)n2)cc1OC	783706579	PSOVYBHAZNLXGB-VIFPVBQESA-N	292.339	1.389	10	20	CDCD	
C[C@@H]1CN(C(=O)NCc2ccc(N)cc2)CC[C@H]1N	1120677330	NRKOXJHIJNJAIZ-ZWNOBZJWSA-N	262.357	1.148	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2C[C@@H]3CC[C@H]2N3)c1	1122029735	YPVMXCYSEUNOCQ-RDBQEKCUSA-N	290.363	1.719	10	20	CDCD	
CON(C)C(=O)CNCc1c(O)ccc(Cl)c1F	895042648	IXYAIFXVBQCQEQ-UHFFFAOYSA-N	276.695	1.294	10	20	CDCD	
C[C@H](NCc1ccc(C(N)=O)nc1)c1ccccc1O	783521436	XZWYSFLDZSYQTR-JTQLQIEISA-N	271.320	1.737	10	20	CDCD	
COCCOC[C@@H](C)NCc1ccc(OC)c(OC)c1O	893078688	FICSWXMDLVRVMS-LLVKDONJSA-N	299.367	1.551	10	20	CDCD	
COC(=O)[C@]1(F)CCN(Cc2cc(F)cc(F)c2O)C1	894085827	QTDNTWSHJWGYMB-ZDUSSCGKSA-N	289.253	1.757	10	20	CDCD	
CCN(C)C(=O)[C@H](C)N[C@H](C)c1ccccc1O	188496713	MAGZVHDHXFJZHC-MNOVXSKESA-N	250.342	1.910	10	20	CDCD	
O=C(NC[C@H]1CCC[C@H](O)C1)c1c(F)ccc(O)c1O	790071297	UWKBGCVMOKIJIC-IUCAKERBSA-N	283.299	1.518	10	20	CDCD	
CNS(=O)(=O)N(Cc1ccccc1O)C1CCCC1	795852260	KEPKICBLQKTCGU-UHFFFAOYSA-N	284.381	1.601	10	20	CDCD	
COc1cccc(CNc2ccc(C(N)=O)cn2)c1O	1329417488	BONMILFCOOSKDK-UHFFFAOYSA-N	273.292	1.507	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NC[C@@H]2CCCOC2)c1	1330439151	JTDOPBUIMZWQLM-LBPRGKRZSA-N	278.352	1.926	10	20	CDCD	
Nc1ccc(Cc2nc(C(=O)NCCCO)cs2)cc1	1341829579	NHTBGLSVAJDUTJ-UHFFFAOYSA-N	291.376	1.428	10	20	CDCD	
CCn1nnnc1N(C)CCN(C)c1ccc(OC)cc1	1262210654	DANRRZJKHFOYLG-UHFFFAOYSA-N	290.371	1.274	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)C(=O)NCC1(C)CC1	1346671204	UMNYHODDKXBQCJ-UHFFFAOYSA-N	276.336	1.267	10	20	CDCD	
O=C(NCc1cc(Cl)ccc1O)NC[C@H](F)C(=O)O	1601530971	GLRDNOPYLVEVMY-QMMMGPOBSA-N	290.678	1.268	10	20	CDCD	
O=C(O)C1(C(=O)NCc2cccc(O)c2O)CC=CC1	1605930373	XVCVJYKPVPWGGI-UHFFFAOYSA-N	277.276	1.135	10	20	CDCD	
C[C@H](NC1CCC1)c1cccc(-c2nn[nH]n2)c1O	1589957696	SDZZGKZCVAAVTH-QMMMGPOBSA-N	259.313	1.775	10	20	CDCD	
CN1C[C@H](CSc2ncc(C(=O)O)s2)OC1=O	1598567858	YGVCPCJETXPAIS-RXMQYKEDSA-N	274.323	1.384	10	20	CDCD	
CCOC[C@H](NCc1ccc2c(c1)CCN2CC)C(=O)O	1776906687	ZPTZSCZPEKASEB-AWEZNQCLSA-N	292.379	1.648	10	20	CDCD	
Nc1ccc(CCNC(=O)c2cnn(C3CC3)c2)cc1	876528591	ZKBYCZMDRLJQBM-UHFFFAOYSA-N	270.336	1.773	10	20	CDCD	
COCCO[C@H]1CCN(Cc2ccc(C)cc2O)C1	877460597	WKYXLGCUYYLSEX-AWEZNQCLSA-N	265.353	1.938	10	20	CDCD	
COc1cccc(CN[C@H](C)Cn2ccnc2)c1O	37157906	AAYJTSLNUSFYSL-LLVKDONJSA-N	261.325	1.776	10	20	CDCD	
CC(C)[C@@H](C(=O)NCc1ccccc1O)[C@H](C)N	399493192	HJQRMHBVWILEEA-GXFFZTMASA-N	250.342	1.628	10	20	CDCD	
CCC[C@H]1C(=O)NCCN1Cc1cc2c(cc1O)OCO2	128860713	BUGTZAVRMQNBNM-NSHDSACASA-N	292.335	1.221	10	20	CDCD	
CCONC(=O)NCc1ccc(N2CC=CC2)cc1	124877199	NIYFRSGFLYWSTA-UHFFFAOYSA-N	261.325	1.814	10	20	CDCD	
C[C@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)[C@H](C)CO1	180916325	QCQIRGCVIUUSCS-MRUFAENASA-N	277.320	1.747	10	20	CDCD	
Cc1cnc(C(=O)NCc2ccc(N(C)C)cc2)cn1	78982018	UEMDNPYMBUOBOH-UHFFFAOYSA-N	270.336	1.781	10	20	CDCD	
CC1CCN([C@@H](C)CNC(=O)c2cccc(O)c2O)CC1	187033424	RRMHZCRSNOEPGM-LBPRGKRZSA-N	292.379	1.948	10	20	CDCD	
C[C@H]1CCN(Cc2cc3c(cc2O)OCO3)[C@@H]1CO	191186616	FHELQBJHGGELLY-GXSJLCMTSA-N	265.309	1.324	10	20	CDCD	
CC[C@@H](N)C(=O)NCc1ccc(N2CCSCC2)cc1	130362145	IDHBERLQCADWCU-CQSZACIVSA-N	293.436	1.593	10	20	CDCD	
CC(C)N1CC[C@@H](N(C)Cc2ccccc2O)C1=O	177676355	HESDZLJCVUHNKU-CYBMUJFWSA-N	262.353	1.833	10	20	CDCD	
CCOc1ccc(O)c(CN(C)CCN2CCOCC2)c1	92974930	TWOMKDMCGFENNF-UHFFFAOYSA-N	294.395	1.555	10	20	CDCD	
C[C@@H](NCC(C)(C)S(C)(=O)=O)c1ccccc1O	93522925	CGEGSPMUMZHABP-SNVBAGLBSA-N	271.382	1.866	10	20	CDCD	
CC(=O)NC1(C(=O)NCc2ccccc2O)CCCCC1	269129956	IHTVTEZRABXXJO-UHFFFAOYSA-N	290.363	1.847	10	20	CDCD	
CN(C)c1ccc(CNC(=O)C[C@](C)(O)C2CC2)cc1	270160710	YUIQJTBDGYCJST-INIZCTEOSA-N	276.380	1.920	10	20	CDCD	
Cc1cc(O)c(CNCC(C)(C)OCCO)cc1C	288324052	ABSHNROLUGOEHO-UHFFFAOYSA-N	267.369	1.886	10	20	CDCD	
CN1CCCc2cc(CNC(=O)[C@@](C)(O)C3CC3)ccc21	286180763	BAVUBOZLPHKSNB-KRWDZBQOSA-N	288.391	1.846	10	20	CDCD	
CN(C)c1ccc(CN[C@]2(C)CCOC2=O)cc1F	289900354	TYEZQZNYLWIGET-CQSZACIVSA-N	266.316	1.687	10	20	CDCD	
Cc1cc(CN2CCn3cnnc3C2)ccc1N(C)C	293093125	NGGINXWNGXUEAU-UHFFFAOYSA-N	271.368	1.668	10	20	CDCD	
COc1ccc(CNC(=O)[C@@](C)(O)C2CC2)c(O)c1	804645049	MNPJFDPIOSXDRN-AWEZNQCLSA-N	265.309	1.178	10	20	CDCD	
CCC[C@H](C)C(=O)NCCNC(=O)c1cccc(O)c1O	294226825	YTOROEYXBPEMJB-JTQLQIEISA-N	294.351	1.380	10	20	CDCD	
Cc1c(CNC(=O)[C@@H]2CC[C@H]2C(N)=O)n(C)c2ccccc12	568217130	IXVNPMJHKPTPRQ-CHWSQXEVSA-N	299.374	1.614	10	20	CDCD	
C[C@@H]1CO[C@H](CO)CN1Cc1cc(Cl)c(F)cc1O	816521112	HIFUQUHEHLTSSH-SCZZXKLOSA-N	289.734	1.766	10	20	CDCD	
C[C@H]1CN(Cc2cc(F)ccc2O)C[C@@H](C)N1CCO	824926188	MBDLVVVXFMYCBB-TXEJJXNPSA-N	282.359	1.418	10	20	CDCD	
OCCCN1CCC[C@H]1CNCc1cc(Cl)ccc1O	824559027	CTCKAEUEUAQOJT-AWEZNQCLSA-N	298.814	1.982	10	20	CDCD	
COC(=O)c1cnc(SC[C@H](C)S(C)(=O)=O)s1	829677555	CPTITMVFCVRTKT-LURJTMIESA-N	295.407	1.455	10	20	CDCD	
Cc1c(CC(=O)N[C@H](C)c2ccccc2O)cnn1C	827946391	GQZBCSLSHFDHST-SNVBAGLBSA-N	273.336	1.854	10	20	CDCD	
CCN(C(=O)/C=C\c1cnc(OC)nc1)c1ccncc1	492685580	YFDKAPDFKCPHLJ-PLNGDYQASA-N	284.319	1.947	10	20	CDCD	
COC[C@@]1(CO)CCN(Cc2cc(C)ccc2O)C1	825158515	NQBVENMEJPDZEL-HNNXBMFYSA-N	265.353	1.531	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NC[C@](C)(O)C2CC2)cc1	732672326	GEWUXZFMSUOXOA-INIZCTEOSA-N	291.395	1.713	10	20	CDCD	
CO[C@H](CNC(=O)c1cc(O)cs1)C(F)(F)F	733367379	LGRRORPBAFFKCX-SSDOTTSWSA-N	269.244	1.761	10	20	CDCD	
CCN(CC)c1ccc(CN2CC(C(=O)NC)C2)cc1F	839142262	FXBOGLJAHHEHMS-UHFFFAOYSA-N	293.386	1.850	10	20	CDCD	
O=C(CC1(O)CCC1)OCC(=O)c1ccc(O)c(O)c1	838209802	ANSCUQMJCCAHHS-UHFFFAOYSA-N	280.276	1.129	10	20	CDCD	
C[C@H](NC(=O)C(C)(C)CO)c1ccc(N(C)C)cc1	847760447	KRUCJLXXFZAIKA-NSHDSACASA-N	264.369	1.948	10	20	CDCD	
COc1ccc(N(C)CCn2cc([N+](=O)[O-])cn2)cc1	844353199	QSXYKPLLHJELAZ-UHFFFAOYSA-N	276.296	1.936	10	20	CDCD	
Nc1ccc(CCNC(=O)NCCc2ccco2)cc1	841641760	VGJWSPTXUGMAHG-UHFFFAOYSA-N	273.336	1.946	10	20	CDCD	
CCOc1ccc(CNC[C@@H](N)C(C)C)c(O)c1	841028484	HHQNRTVAOPQSSY-CYBMUJFWSA-N	252.358	1.864	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN[C@H]1CNCCOC1	925497560	HSUUWWRBSQXFJS-AWEZNQCLSA-N	263.385	1.139	10	20	CDCD	
C[C@@H](NCc1cc([N+](=O)[O-])ccc1O)C1(CO)CC1	850362122	ZHOFSERZDUBCIP-SECBINFHSA-N	266.297	1.551	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)N[C@@H](C)c2ccn(C)n2)c1	858536352	GKWNJHBCQWVIDO-NSHDSACASA-N	288.351	1.995	10	20	CDCD	
O=C(OC[C@@H]1CCCCO1)c1cccc(O)c1O	758573407	ROYIPDISEYYAME-VIFPVBQESA-N	252.266	1.824	10	20	CDCD	
Cc1onc(CO)c1C(=O)NCc1ccccc1O	857472695	WPGUWVDXBQJIDY-UHFFFAOYSA-N	262.265	1.111	10	20	CDCD	
C[C@@H](CCCO)NCc1ccc(N2CCC(O)CC2)cc1	850566402	NHBPIJQJJHOYDW-AWEZNQCLSA-N	292.423	1.898	10	20	CDCD	
COc1cccc(CNC(=O)CN2[C@@H](C)CC[C@H]2C)c1O	769507248	BEGUJVRWRDVEOZ-TXEJJXNPSA-N	292.379	1.890	10	20	CDCD	
CCOc1ccc(O)c(CN(C)[C@@H]2CCC(=O)N(C)C2)c1	862428140	LQIUCTJIIYDBQB-CYBMUJFWSA-N	292.379	1.844	10	20	CDCD	
CCn1ccc(CC(=O)NCc2cc(C)ccc2O)n1	862755319	QNLINUUTCICAEG-UHFFFAOYSA-N	273.336	1.776	10	20	CDCD	
CCN(C)c1ccc([C@@H](C)N[C@@H]2COC[C@@H]2O)cc1	866418807	USIDXHGKFDBKAN-DFBGVHRSSA-N	264.369	1.553	10	20	CDCD	
Cc1ccc(O)c(CNS(=O)(=O)c2cn(C)nc2C)c1	1118877958	OEZZGGDXSLEOIK-UHFFFAOYSA-N	295.364	1.221	10	20	CDCD	
CCNS(=O)(=O)[C@@H]1CCN(Cc2c(C)cccc2O)C1	877174166	BAUKZUOFTQIULB-GFCCVEGCSA-N	298.408	1.214	10	20	CDCD	
Cc1cccc(O)c1CN1CCS(=O)(=O)C[C@H](C)C1	877477691	HMEMOGWGZSNOHW-LLVKDONJSA-N	283.393	1.567	10	20	CDCD	
Cc1c(CC(=O)NCCc2ccc(N)cc2)cnn1C	876527664	JRBQOZIYMIYOAZ-UHFFFAOYSA-N	272.352	1.212	10	20	CDCD	
COc1ccc(O)c(CNC(=O)Nc2ccnc(C)n2)c1	776498740	ALBQMXMILNPFHG-UHFFFAOYSA-N	288.307	1.821	10	20	CDCD	
CC(=O)c1cn(Cc2ccc(N(C)C)c(C)c2)nn1	881378149	GWRAVKXKVCUIKC-UHFFFAOYSA-N	258.325	1.903	10	20	CDCD	
Nc1ccc(CNC(=O)N[C@H]2CCN3CCCC[C@@H]23)cc1	1120486504	UYBQPEDVHJUXSU-GJZGRUSLSA-N	288.395	1.695	10	20	CDCD	
CNC(=O)CCCN[C@@H](C)c1c(O)cccc1F	886515401	BWDIYSSWDIYEDA-VIFPVBQESA-N	254.305	1.708	10	20	CDCD	
C[C@@H](NC[C@@H]1CNC(=O)C1)c1c(O)cccc1F	886625216	LBSXPUWAEKVQMU-RKDXNWHRSA-N	252.289	1.318	10	20	CDCD	
CC[C@](C)(O)CNC(=O)NCc1ccc(N)cc1	1120592424	WQUSQJKJSGOKKJ-ZDUSSCGKSA-N	251.330	1.229	10	20	CDCD	
C[C@H]1CCN(Cc2cc(F)cc(F)c2O)[C@H]1CO	894535243	XSCGLRUSTLZYDO-UFBFGSQYSA-N	257.280	1.873	10	20	CDCD	
Cc1ccc(C(=O)N2CCC(F)(F)C2)c(O)c1O	781018096	QVOPDJSFDOEBTN-UHFFFAOYSA-N	257.236	1.887	10	20	CDCD	
CN(Cc1nc[nH]n1)Cc1cc(F)cc(F)c1O	894035956	PPCCEERSPPBLFX-UHFFFAOYSA-N	254.240	1.421	10	20	CDCD	
COc1cc(C)cc(CNC2CCN(OC)CC2)c1O	895037013	ZDARFXPCKCLQCR-UHFFFAOYSA-N	280.368	1.825	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N=S1(=O)CCOCC1	891365467	LMKCZFDUQGQGFZ-RQOWECAXSA-N	297.332	1.136	10	20	CDCD	
COc1ccc(CNC(=O)CC(C)(C)OC)c(O)c1	794374922	ZIRNWNYPEZDFDP-UHFFFAOYSA-N	267.325	1.832	10	20	CDCD	
CN1CC[C@H](N(C)Cc2ccc(N3CCCC3)cc2)C1=O	1324388019	BRMGHDHLZCAWDC-INIZCTEOSA-N	287.407	1.949	10	20	CDCD	
C[C@@H]1C[C@@H](NC(=O)NCc2ccc(N)cc2)[C@@H](C)O1	1336238540	FLLGFWCMUIMWJQ-GIPNMCIBSA-N	263.341	1.634	10	20	CDCD	
Oc1cc2c(cc1CN1CCc3ncncc3C1)[C@H](O)CO2	1331066681	NGHIRXZKQXPKFS-OAHLLOKOSA-N	299.330	1.166	10	20	CDCD	
CCc1cccc(CN2CC(NC(=O)OC)C2)c1O	1349877390	GHDWHLRPQZVCIR-UHFFFAOYSA-N	264.325	1.495	10	20	CDCD	
Nc1ccc(CN2CCC[C@H]([C@H]3C[C@@H](N)CCO3)C2)cc1	1356083491	PQNNCRMOWUMCDL-BHYGNILZSA-N	289.423	1.987	10	20	CDCD	
C[C@H](C(=O)O)N(C)Cc1cc(F)c(N(C)C)cc1F	1607451539	VOOYUBCWXCDATO-MRVPVSSYSA-N	272.295	1.936	10	20	CDCD	
O=C(CC[C@H]1CCO1)NCc1cccc(O)c1O	1548791519	IYOZDMHQIFDCIB-JTQLQIEISA-N	251.282	1.283	10	20	CDCD	
CCOc1cccc(CNC[C@@](C)(O)CSC)c1O	120679197	IGVZMFSTTBRWJZ-CQSZACIVSA-N	285.409	1.995	10	20	CDCD	
CCN[C@H](C)CNC(=O)NCc1cccc(Cl)c1O	1577883691	FVSSHSQMZQJJOU-SECBINFHSA-N	285.775	1.843	10	20	CDCD	
C[C@H](NC(=O)N[C@H]1CCN[C@@H]1C)c1ccccc1O	1579484525	MCOXDUPHQQCBDF-UMNHJUIQSA-N	263.341	1.503	10	20	CDCD	
COc1ccc(O)c(CN[C@@](C)(CCF)C(=O)O)c1	1599598679	PQTYCKPOPMSHRU-ZDUSSCGKSA-N	271.288	1.693	10	20	CDCD	
C[C@H](N[C@@H]1CCC[C@H]1O)c1cc(C(=O)O)ccc1O	1593354413	PJGLGWSBAYJMGP-RLCGTCKNSA-N	265.309	1.654	10	20	CDCD	
COc1cccc(CNc2cnc(C(=O)O)cn2)c1O	1599675585	MUSCVQZTNZEFGN-UHFFFAOYSA-N	275.264	1.501	10	20	CDCD	
C[C@H]1CCCN1CC(=O)NCc1ccc(N(C)C)cc1	154624299	SMOFYFXZTAFJSX-ZDUSSCGKSA-N	275.396	1.853	10	20	CDCD	
CNC(=O)CCCN(C)Cc1cc(C)c(C)cc1O	156991945	MQAXXDFUUICKRZ-UHFFFAOYSA-N	264.369	1.967	10	20	CDCD	
CCOC[C@H](NC(=O)Cc1ccc(N)cc1)C(C)C	233748494	GGQCVMPNHNOLSY-AWEZNQCLSA-N	264.369	1.989	10	20	CDCD	
CS(=O)(=O)NCCCNCc1ccc2c(c1)CCCO2	921501041	IFRCFUKEUHBQCF-UHFFFAOYSA-N	298.408	1.041	10	20	CDCD	
COc1cccc(CN2CC[C@@H](C(=O)N(C)C)C2)c1O	840957572	KXMQWPBCUAGHQE-GFCCVEGCSA-N	278.352	1.311	10	20	CDCD	
COc1cccc(O)c1CN1CCO[C@H](CF)C1	840954858	MMDKSLMERRPNER-SNVBAGLBSA-N	255.289	1.571	10	20	CDCD	
COc1cccc(O)c1CN1CCC[C@@H](CN)C1	843047837	YKGUQWSBTKCUKZ-NSHDSACASA-N	250.342	1.572	10	20	CDCD	
C[C@H](CNC(=O)NCc1ccc(N(C)C)cc1)C(=O)O	848575176	LKSBXUBQCOGRHA-SNVBAGLBSA-N	279.340	1.273	10	20	CDCD	
CN(C)C[C@@H]1CCCCN1C(=O)c1cccc(O)c1O	187150117	FUYBCYUJOGXPLJ-NSHDSACASA-N	278.352	1.654	10	20	CDCD	
C[C@H]1CCN(C(=O)Nc2ccc(N)cc2)C[C@H]1CO	700379795	XIBWPFOVXILDJH-QWRGUYRKSA-N	263.341	1.751	10	20	CDCD	
CCc1cccc(CNC[C@]2(O)CCO[C@H]2C)c1O	691439547	ZHVPDSLWVAPNLX-XHDPSFHLSA-N	265.353	1.584	10	20	CDCD	
COC(=O)N(C)CC(=O)NCc1ccc(N(C)C)c(F)c1	58733868	OKZSJIUYDTWDBP-UHFFFAOYSA-N	297.330	1.206	10	20	CDCD	
CCOC(=O)CN(CC)Cc1cc(F)ccc1O	179972201	MKQHZUCDSMGHGQ-UHFFFAOYSA-N	255.289	1.916	10	20	CDCD	
Cc1ccc(O)c([C@H](C)NCC2(C(N)=O)CCOCC2)c1	185002576	FWRIRLDZRFLZDE-LBPRGKRZSA-N	292.379	1.633	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)c1cccc2nn[nH]c12	182804860	UGGRZAHLERUYOL-UHFFFAOYSA-N	298.302	1.342	10	20	CDCD	
COc1cccc(CNC(=O)C[C@@H]2CCCOC2)c1O	193595868	SXTJPLWZORANAP-NSHDSACASA-N	279.336	1.834	10	20	CDCD	
CCN(CC(=O)N(C)C)Cc1c(O)cccc1Cl	133209738	BIKGLTHYIZZIIP-UHFFFAOYSA-N	270.760	1.956	10	20	CDCD	
CCC[C@@H]1C(=O)NCCN1Cc1ccc(N(C)C)cc1	93771277	WSHAYWICGARVAM-OAHLLOKOSA-N	275.396	1.853	10	20	CDCD	
CNC(=O)Cc1ccc(NC(=O)Cc2ccc(N)cc2)cc1	237138755	SEKLBJCRQHQLIX-UHFFFAOYSA-N	297.358	1.739	10	20	CDCD	
CC(C)CN1CC[C@@H](CNC(=O)Cc2ccc(N)cc2)C1	236787239	UHDDTXULRRBJBD-HNNXBMFYSA-N	289.423	1.905	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNC[C@@H](C)CCO)c1O	278550253	YXELBFCXUARIGK-VIFPVBQESA-N	284.312	1.417	10	20	CDCD	
CCOc1cccc(CNC[C@H](CO)[C@H]2CCOC2)c1O	280346589	RXVZSJPUMVPPRC-UONOGXRCSA-N	295.379	1.526	10	20	CDCD	
CCCc1cc(O)nc(SCC(=O)C(C)=O)n1	289575246	IDTFFEWAWCALRH-UHFFFAOYSA-N	254.311	1.385	10	20	CDCD	
COC[C@@H](CO)N[C@H](C)c1cc2c(cc1O)CCCC2	281003988	NTPMXMZAVHRNPH-BXUZGUMPSA-N	279.380	1.929	10	20	CDCD	
C[C@H](NC[C@H](CO)[C@@H]1CCOC1)c1cc(F)ccc1O	280900044	PROYVQQRHZGBOH-QJPTWQEYSA-N	283.343	1.827	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1ccnnc1	297491263	VCNVXHALYLRKRS-UHFFFAOYSA-N	299.334	1.974	10	20	CDCD	
O=C(c1cc(O)cs1)N1CC[C@H](C(=O)N2CCCC2)C1	807817940	BKYZVXHLEJXXSD-JTQLQIEISA-N	294.376	1.538	10	20	CDCD	
COc1ccc(CC(=O)OCC(=O)C(C)=O)cc1F	808490248	CBQBRGLLASVSFK-UHFFFAOYSA-N	268.240	1.078	10	20	CDCD	
C[C@@H]1CSC[C@H]1NC(=O)NCc1ccccc1O	805790559	BDQJMFNMVYOJCA-MWLCHTKSSA-N	266.366	1.943	10	20	CDCD	
COc1ccc(O)c(CNc2nc(OC)cc(OC)n2)c1	811806322	QYOVEUMTBCISLF-UHFFFAOYSA-N	291.307	1.820	10	20	CDCD	
Cc1ccc([C@@H](C)N[C@@H]2COCC[C@H]2O)c(O)c1	710879031	OZGQVMSZGSQXTE-RAIGVLPGSA-N	251.326	1.501	10	20	CDCD	
CC(=O)NC[C@@H]1CCCN(C(=O)Cc2ccc(N)cc2)C1	827837901	NMKKXORSMCJDDR-AWEZNQCLSA-N	289.379	1.186	10	20	CDCD	
Cc1nn2cccnc2c1C(=O)NCc1ccccc1O	726622110	HMKALJFXXDQZFB-UHFFFAOYSA-N	282.303	1.673	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNS(=O)(=O)[C@H]1CCOC1	735675652	OOWUHFIDKVLJPM-AWEZNQCLSA-N	298.408	1.269	10	20	CDCD	
C[C@H](N[C@@H]1CCc2cccc(O)c21)[C@H]1CN(C)CCO1	834685492	XNCVODUOSDWKDC-NJZAAPMLSA-N	276.380	1.688	10	20	CDCD	
CSC[C@H](C)C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1	832274587	WBCFGSBHODQTTH-SMDDNHRTSA-N	295.452	1.868	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)CCNC(=O)O	737494541	SYYGXLYKRPVEOQ-UHFFFAOYSA-N	252.270	1.008	10	20	CDCD	
CCOc1ccc(O)c(CN2C[C@H](C)[C@@H](C(=O)O)C2)c1	833662295	AWLCRPGOSGLADH-GWCFXTLKSA-N	279.336	1.943	10	20	CDCD	
CO[C@@H]1C[C@H](NC(=O)NCCc2ccc(N)cc2)C1(C)C	841853650	FPUWTQZEWYHBBZ-UONOGXRCSA-N	291.395	1.924	10	20	CDCD	
O=C(NCCc1cccnc1)NCc1ccccc1O	748460309	NTHPZOFTCBVSQW-UHFFFAOYSA-N	271.320	1.829	10	20	CDCD	
COc1cc(O)c(CNC[C@H]2CCCCN2)cc1OC	841033034	MWVKSTKJGZQLTI-GFCCVEGCSA-N	280.368	1.641	10	20	CDCD	
CCN1CCOC[C@H]1C(=O)NCc1cc(Cl)ccc1O	846474580	VNXZPYYTRSTONI-LBPRGKRZSA-N	298.770	1.383	10	20	CDCD	
CCNCCNC(=O)NCCCSc1nccs1	841858238	VJIJHCDVFGWKCJ-UHFFFAOYSA-N	288.442	1.534	10	20	CDCD	
O=C1CNC(=O)N1CCSc1ncc(Cl)s1	849999193	PDKUMPSMCTYMQM-UHFFFAOYSA-N	277.758	1.440	10	20	CDCD	
C[C@@H]1CCN[C@@H](C(=O)NCc2ccc(N(C)C)c(F)c2)C1	844177227	CPTIWISLQULOSB-BXUZGUMPSA-N	293.386	1.896	10	20	CDCD	
COc1cccc([C@H](C)N[C@@H]2CCN(C(C)=O)C2)c1O	857084317	MJYIUUSZVPZERO-CMPLNLGQSA-N	278.352	1.672	10	20	CDCD	
OC1CCN(c2ccc(CN[C@@H]3CCCOC3)cc2)CC1	850565608	GUUQPLOKVATYBJ-OAHLLOKOSA-N	290.407	1.916	10	20	CDCD	
Cn1cc(CC(=O)NCc2cc(Cl)ccc2O)cn1	857547385	BJIUONNVSNXDBX-UHFFFAOYSA-N	279.727	1.638	10	20	CDCD	
COc1ccc(N2CCN(C[C@@H]3CCOC3)CC2)cc1F	753858994	YVPOBHWICASKEE-ZDUSSCGKSA-N	294.370	1.993	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@](C)(O)C1CC1	935945895	ONGXFELGSRCXGQ-OAHLLOKOSA-N	284.352	1.655	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CCCNC2=O)c1	866762966	ASYPJDZXOFLFQV-MWLCHTKSSA-N	292.335	1.104	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)CC2OCCO2)c1	862757103	HPYJZCSZOMZICN-UHFFFAOYSA-N	251.282	1.080	10	20	CDCD	
CN(C[C@@H]1CC2(CC2)C(=O)O1)c1ccc2c(c1)OCO2	763738923	NIDCETGIENLMQJ-NSHDSACASA-N	275.304	1.947	10	20	CDCD	
CN1CCCC[C@H](CNC(=O)c2c(F)ccc(O)c2O)C1	863937378	AJZGKYLRKZGLBU-SNVBAGLBSA-N	296.342	1.699	10	20	CDCD	
CN(C)c1cc(F)c(CN2CC[C@@H](O)C2)cc1F	862215335	HKNJXIVSGVTIJT-SNVBAGLBSA-N	256.296	1.597	10	20	CDCD	
O=S1(=O)CCN(Cc2ccccc2O)[C@H]2CCCC[C@H]21	779016257	DCTHKSUEAZBCGO-DZGCQCFKSA-N	295.404	1.934	10	20	CDCD	
CN(C)c1ncccc1/C=C1\SC(=S)NC1=O	1117390790	AOAICYAKTBMIFC-VURMDHGXSA-N	265.363	1.636	10	20	CDCD	
COC(=O)c1coc(S(=O)(=O)Nc2ccc(O)cc2)c1	776744626	MGCHBOPKAONVBI-UHFFFAOYSA-N	297.288	1.573	10	20	CDCD	
C[C@@H]1[C@@H](C)N(C(=O)c2cc(O)cs2)CCN1C	771418870	OPWWZIPUYWZTDS-RKDXNWHRSA-N	254.355	1.618	10	20	CDCD	
C[C@@H](N[C@@H]1CCc2c(nnn2C)C1)c1c(O)cccc1F	886633087	MUFKCTPYQXIFSB-NXEZZACHSA-N	290.342	1.868	10	20	CDCD	
CC(C)N1CC[C@@H](NC(=O)NCc2ccc(N)cc2)C1=O	1120598560	DFXBAWMKECNVJU-CYBMUJFWSA-N	290.367	1.077	10	20	CDCD	
COc1ccc(CN[C@@H](C)c2cnn(C)c2)c(O)c1OC	893031697	DSOUCQMPPCFVKI-JTQLQIEISA-N	291.351	1.994	10	20	CDCD	
COc1ccc(CC(=O)NCc2ccc(O)c(O)c2)nc1	789996789	SMGFILOKIXCZLZ-UHFFFAOYSA-N	288.303	1.360	10	20	CDCD	
COc1ccc(CNC(=O)NCC[C@H](C)OC)c(O)c1	792913372	TTWHLJOLQONNMW-JTQLQIEISA-N	282.340	1.625	10	20	CDCD	
COc1ccc(CNC(=O)c2ccc([N+](=O)[O-])o2)c(O)c1	794388932	CDMKMUORQMDUOI-UHFFFAOYSA-N	292.247	1.832	10	20	CDCD	
COc1ccc(CNC(=O)/C=C\SC)c(O)c1	794389607	ARQBPPODKVUIMZ-WAYWQWQTSA-N	253.323	1.894	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NCCCn2cncn2)c1	1332902866	OLUWTUKCSYVQON-UHFFFAOYSA-N	289.339	1.182	10	20	CDCD	
Nc1ccc(OCc2cn(CC[C@@H]3CCOC3)nn2)cc1	1330795528	SVEPREXUFHIMOU-GFCCVEGCSA-N	288.351	1.866	10	20	CDCD	
C[C@@H]1Cn2nc(C(=O)NCc3ccccc3O)cc2CN1	1340955566	CHOMMVOZOGGQKD-SNVBAGLBSA-N	286.335	1.010	10	20	CDCD	
COc1ccc(S(=O)(=O)NCc2ccccc2O)cn1	799774146	NTQHIHKNPPOKQL-UHFFFAOYSA-N	294.332	1.274	10	20	CDCD	
O=C(O)[C@H](O)CNCc1ccc(N2CCCCC2)cc1	1353952140	GBAKCFXTJNNSTJ-CQSZACIVSA-N	278.352	1.212	10	20	CDCD	
CCCN(CC(=O)O)C(=O)c1ccc(C)c(O)c1O	1609976449	OZNICRNKPNGAQF-UHFFFAOYSA-N	267.281	1.343	10	20	CDCD	
O=C(O)[C@@H]1OCC[C@@H]1NCc1c(O)ccc(Cl)c1F	1602203050	OITMESJGRSFAEN-GZMMTYOYSA-N	289.690	1.516	10	20	CDCD	
Cn1c(C(=O)O)ccc1C(=O)N1Cc2cccc(O)c2C1	1608082122	BMTTXWIQPCMRRA-UHFFFAOYSA-N	286.287	1.585	10	20	CDCD	
CC[C@@H](N)C(=O)N(C)Cc1ccc(N2CCCC2)cc1	1578221542	CVPLSTGGYTXJBY-OAHLLOKOSA-N	275.396	1.983	10	20	CDCD	
C[C@@H]1CN(CCSc2ncc(C(=O)O)s2)CCO1	1594531814	POIGZWKXUKGPGR-MRVPVSSYSA-N	288.394	1.654	10	20	CDCD	
COc1ccc(O)c(CN2C[C@H](C)O[C@H](C(=O)O)C2)c1	1599598492	NXNDORNGOLOGKA-ZANVPECISA-N	281.308	1.075	10	20	CDCD	
C[C@H](N[C@H]1C[C@H](O)C1(C)C)c1cc(C(=O)O)ccc1O	1593218551	GUHWJLWFEADPGU-HJIKLVIJSA-N	279.336	1.900	10	20	CDCD	
CCN(C)c1ccc(CNCC[C@H](O)C(=O)O)c(C)c1	1776856317	JUTTVBCDEMRLDE-AWEZNQCLSA-N	280.368	1.376	10	20	CDCD	
CN(C)c1ccc(CN[C@H](Cc2cccnc2)C(=O)O)cc1	1777039806	WPETYFHOHVBSBQ-MRXNPFEDSA-N	299.374	1.933	10	20	CDCD	
CCCOc1ccc(CNC[C@H](O)CC(=O)O)cc1C	1776821027	ACTDRRBRCJXAMW-CYBMUJFWSA-N	281.352	1.709	10	20	CDCD	
CCN(CCO)Cc1cc(Cl)cc([N+](=O)[O-])c1O	158656337	VSFBJVUUFRISJA-UHFFFAOYSA-N	274.704	1.768	10	20	CDCD	
CC[C@H](N)C(=O)NCCCSc1nccs1	160060069	JDUYGJBBVSWBRV-QMMMGPOBSA-N	259.400	1.479	10	20	CDCD	
CCS(=O)(=O)CCCNCc1ccc(N(C)C)cc1	840973033	CAGLQTZWWKEVBK-UHFFFAOYSA-N	284.425	1.667	10	20	CDCD	
CO[C@H]1C[C@H](NC(=O)NCc2ccccc2O)C1	858983608	NHTMHMGQYMHDKX-XYPYZODXSA-N	250.298	1.369	10	20	CDCD	
NC[C@H]1CN(Cc2cc(Cl)ccc2O)CCCO1	313344136	CJMLQTXLUHNSQQ-LBPRGKRZSA-N	270.760	1.595	10	20	CDCD	
Cc1nnc(CN[C@H](C)c2cc(F)ccc2O)n1C	393146831	IGAIAGZNJWNPIS-MRVPVSSYSA-N	264.304	1.819	10	20	CDCD	
Cc1cccc(O)c1CNCCC1(C)OCCO1	877346192	IUMFPLXSODBHAL-UHFFFAOYSA-N	251.326	1.943	10	20	CDCD	
CCCCOCCNC(=O)CN(C)Cc1ccccc1O	109773807	HWNLRYJJVRAWCK-UHFFFAOYSA-N	294.395	1.757	10	20	CDCD	
CN(CCO)C(=O)NCc1ccc(N2CCCC2)cc1	179313245	KZFNOJSSSNPVNV-UHFFFAOYSA-N	277.368	1.421	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)CN(C)C)cc1	170760174	MUHGUUOQDQZWCE-UHFFFAOYSA-N	263.385	1.711	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2	186380376	JVLYPYKJGBKISF-CGEWXTDFSA-N	291.347	1.713	10	20	CDCD	
CC(=O)c1cc(F)cc(CN[C@H](C(N)=O)C(C)(C)C)c1O	79473604	CZYGRJXTFLCPPB-CYBMUJFWSA-N	296.342	1.724	10	20	CDCD	
CC[C@@H](NCC(=O)N(C)CC)c1ccccc1O	183348299	PQYMAXLMTWBQLU-GFCCVEGCSA-N	250.342	1.911	10	20	CDCD	
Cc1cc(NS(=O)(=O)c2cnn(C)c2)c(C)c(C)c1O	187061313	RJXXLNZJGRCQSY-UHFFFAOYSA-N	295.364	1.852	10	20	CDCD	
CCN(C)C(=O)CNCc1cc(C)c(C)cc1O	185182680	PWPDDERCDYSHQE-UHFFFAOYSA-N	250.342	1.577	10	20	CDCD	
CN(Cc1cc(F)ccc1O)[C@H]1CCCCNC1=O	378491194	FMHPPVIWAXWUOA-LBPRGKRZSA-N	266.316	1.632	10	20	CDCD	
CN(Cc1ccccc1O)[C@@H]1CCS(=O)(=O)C1	96477923	BOYUOORTZYJMBG-LLVKDONJSA-N	255.339	1.011	10	20	CDCD	
C[C@@H]1C[C@@H](C(=O)N2CCOc3cc(N(C)C)ccc32)CO1	439157181	NBQXHGJXVCXQHO-VXGBXAGGSA-N	290.363	1.903	10	20	CDCD	
C[C@H](NCC(C)(C)C(N)=O)c1ccc(N(C)C)cc1	183640920	JDTLTOOZUZJFQR-NSHDSACASA-N	263.385	1.915	10	20	CDCD	
CC(C)OC(=O)[C@H](C)N(C)Cc1cc2c(cc1O)OCO2	268489034	UTXCBZNKXRRBEH-JTQLQIEISA-N	295.335	1.893	10	20	CDCD	
CC[C@@]1(C)NC(=O)N(Cc2ccc(N(C)C)cc2)C1=O	277204816	DIPKYMGITFUCRV-OAHLLOKOSA-N	275.352	1.973	10	20	CDCD	
COC[C@H]1CN(C(=O)c2ccc(C)c(O)c2O)C[C@H](C)O1	276117636	XYPPWJQKEUDZKZ-WDEREUQCSA-N	295.335	1.282	10	20	CDCD	
COc1ccc(O)c(CNC[C@](C)(O)c2ccco2)c1	271856024	UUIDTXBRBSTMGG-HNNXBMFYSA-N	277.320	1.991	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN(C)Cc2ccon2)c1O	278192327	ICZSRMUIMDJOPW-UHFFFAOYSA-N	293.279	1.929	10	20	CDCD	
Cn1cnnc1[C@H]1CCCN1C(=O)Cc1ccc(N)cc1	387242439	ISOFENUEDAHTAN-CYBMUJFWSA-N	285.351	1.304	10	20	CDCD	
O=C(NCc1ccccc1O)[C@@H]1OC[C@@H]2COCC[C@@H]21	290323050	GURVKQBVTAUOIS-SGMGOOAPSA-N	277.320	1.060	10	20	CDCD	
C[C@@H](CCO)CCNC(=O)c1c(F)ccc(O)c1O	295345661	IFCZSRJUCIUYLB-MRVPVSSYSA-N	271.288	1.375	10	20	CDCD	
C[C@@H]1NCC[C@@H]1C(=O)N1CCOc2cc(N(C)C)ccc21	563211213	SJSZMGQWWFXUNI-AAEUAGOBSA-N	289.379	1.476	10	20	CDCD	
C[C@H](NC(=O)N1CCO[C@H]2C[C@H]21)c1ccc(N(C)C)cc1	813719038	JVBJOGUBOBWBQH-GLQYFDAESA-N	289.379	1.996	10	20	CDCD	
CCOC(=O)CC[C@@H](O)CNCc1ccc(N(C)C)cc1	818941696	OFUUNIZEMHPDDN-OAHLLOKOSA-N	294.395	1.546	10	20	CDCD	
COc1cc(O)c(CN(C)C2(CO)CC2)cc1OC	827904098	UYNFLWDSUBTKKR-UHFFFAOYSA-N	267.325	1.366	10	20	CDCD	
CCN(C[C@H]1CCOC1)C(=O)c1c(F)ccc(O)c1O	825606700	JWRCYVRVZCVVTB-SECBINFHSA-N	283.299	1.736	10	20	CDCD	
CN1CC[C@@]2(CCN(C(=O)c3cc(O)cs3)C2)C1	832810456	CZPSFTKOFYJVIM-CYBMUJFWSA-N	266.366	1.622	10	20	CDCD	
COc1cc2c(c(OC)c1)N(Cc1nnnn1C)CCC2	839657015	YCYJIJISNZEOOK-UHFFFAOYSA-N	289.339	1.180	10	20	CDCD	
C[C@H](NC[C@H](c1ccc(N(C)C)cc1)N(C)C)C(=O)O	904273073	PZHXQWMGBZGKCO-SMDDNHRTSA-N	279.384	1.418	10	20	CDCD	
CC(C)N(C)CC(=O)NCc1ccc(O)cc1O	910954508	KSKRNJISXBCVMK-UHFFFAOYSA-N	252.314	1.054	10	20	CDCD	
COc1ccc(N(C)CCN(C)C(=O)[C@@H](C)C(=O)O)cc1	846715983	IVKMWCVQDDFFSK-LLVKDONJSA-N	294.351	1.311	10	20	CDCD	
COc1ccc(N2CCCN(C[C@@H](C)N)CC2)cc1	844221265	BJWDRCZTPGTMGY-CYBMUJFWSA-N	263.385	1.555	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)CCCn1cncn1	918071332	VVPZNMQDIZQSIH-UHFFFAOYSA-N	274.324	1.423	10	20	CDCD	
COCCNC(=S)NCc1cc(Cl)ccc1O	844584178	PVFCOCQAFVEBSP-UHFFFAOYSA-N	274.773	1.656	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)[C@@H]1CSCCS1	910950470	FUZVJYSJIBATOS-NSHDSACASA-N	285.390	1.563	10	20	CDCD	
CNC[C@@H]1C[C@H](F)CN1Cc1c(O)cccc1OC	843121940	MANHJTOYSVCPAP-QWRGUYRKSA-N	268.332	1.533	10	20	CDCD	
CCOc1ccc(CN[C@@H](CCN)C(F)F)c(O)c1	841073257	GEQPUHDAKBCHBS-NSHDSACASA-N	274.311	1.863	10	20	CDCD	
CS[C@@H](C)CC(=O)NCc1ccc(O)cc1O	910948937	BRBVJDNIQNCYIC-QMMMGPOBSA-N	255.339	1.856	10	20	CDCD	
CSC[C@@](C)(O)CNC(=O)NCCc1ccc(N)cc1	841954158	JEPYSQDGPVZVAO-AWEZNQCLSA-N	297.424	1.225	10	20	CDCD	
CC[C@H](NC(=O)NCCc1ccc(N)cc1)C(C)(C)O	841955655	JCODRVNNCYWWBP-ZDUSSCGKSA-N	279.384	1.660	10	20	CDCD	
C[C@H]1CCN1C(=O)NCc1ccc(N2CCOCC2)cc1	920044399	UOCTUJVKAMKXRG-ZDUSSCGKSA-N	289.379	1.827	10	20	CDCD	
COc1ccc(N2CCN(CC3(C)COC3)CC2)cc1F	753860528	GHBNILGPRDKJRV-UHFFFAOYSA-N	294.370	1.993	10	20	CDCD	
CNC[C@@H](C)NC(=O)NCc1ccc(N2CC=CC2)cc1	851656533	MOAJSMYEOQMWDS-CYBMUJFWSA-N	288.395	1.470	10	20	CDCD	
C[C@H](N[C@H]1CC(=O)N(C)C1)c1cc(F)cc(F)c1O	756524448	FTMNVAOKHOWCDG-CBAPKCEASA-N	270.279	1.552	10	20	CDCD	
CCO[C@H]1COCC[C@H]1NC(=O)c1cc(O)cs1	760448901	OWKXINMEDFWBFG-ZJUUUORDSA-N	271.338	1.378	10	20	CDCD	
Cc1noc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)n1	865978559	YVMHIXYRGHAYLU-SECBINFHSA-N	274.324	1.935	10	20	CDCD	
CCOc1ccc(CN[C@H]2CCC[C@H]2C(=O)NC)c(O)c1	765795035	GVSRTPXKVMCVAZ-KGLIPLIRSA-N	292.379	1.795	10	20	CDCD	
CCO[C@@H]1COCC[C@H]1NC(=O)c1ccc(C)c(O)c1O	760053888	RSJURPMDDVSRBI-VXGBXAGGSA-N	295.335	1.330	10	20	CDCD	
Cc1nc([C@@H](C)NCc2cc3c(cc2O)OCO3)no1	1117645802	MMKJXKJNFMGJIF-SSDOTTSWSA-N	277.280	1.663	10	20	CDCD	
CCn1cnnc1CNC(=O)/C=C\c1ccc(O)c(O)c1	779498368	DWHAQJXCPPKOTM-XQRVVYSFSA-N	288.307	1.039	10	20	CDCD	
Cn1ncc2c1CN(Cc1ccc(N3CCOCC3)cc1)C2	877633050	XMDSRWIJAYSCIF-UHFFFAOYSA-N	298.390	1.773	10	20	CDCD	
O=C(N[C@H](CO)Cc1ccccc1)c1cc(O)cs1	778518673	XQBMFLXCFMZGTE-NSHDSACASA-N	277.345	1.787	10	20	CDCD	
CCOc1cccc(CN2CCC[C@@H]2CNC)c1O	133087227	QMMQQGKVOHNMRP-CYBMUJFWSA-N	264.369	1.975	10	20	CDCD	
O=C(c1c(F)ccc(O)c1O)N1CC[C@H](CF)C1	881675218	VVFSSPQWSYQILO-SSDOTTSWSA-N	257.236	1.669	10	20	CDCD	
COc1cc(C)cc(CN[C@@H]2COC[C@H]2OC)c1O	895078244	FTRRAKJBBVJVNN-DGCLKSJQSA-N	267.325	1.213	10	20	CDCD	
CCNCCNC(=O)N[C@H](C)c1ccccc1O	891996842	IUWUCNQARYXTIJ-SNVBAGLBSA-N	251.330	1.362	10	20	CDCD	
COc1cc(C)cc(CNC[C@@H](O)C2CCOCC2)c1O	894269936	WPABSNKOHONDOA-CQSZACIVSA-N	295.379	1.586	10	20	CDCD	
CC[C@@H](NCc1nnn(C)n1)c1ccc(C)cc1O	794829669	VUUFLYRZTBZKKV-LLVKDONJSA-N	261.329	1.465	10	20	CDCD	
CCCNC(=O)[C@H](C)N(C)Cc1ccccc1O	109773017	WJRQWLBEOOCRRC-NSHDSACASA-N	250.342	1.739	10	20	CDCD	
CC1(CO)CCN(C(=O)NCc2ccc(N)cc2)CC1	1262603484	KAEQGNKVKDPJFJ-UHFFFAOYSA-N	277.368	1.573	10	20	CDCD	
O=C(NCc1cccc(Cl)c1O)N[C@H]1C[C@@H](C(=O)O)C1	1341327996	SCMUCHTWCOWLDQ-DTORHVGOSA-N	298.726	1.708	10	20	CDCD	
Cn1cc(/C=C\C(=O)N2C[C@H](CCN)c3ccccc32)cn1	1354511505	GKAZDCXDEFSTFU-AFNCTOJWSA-N	296.374	1.913	10	20	CDCD	
CCn1c(-c2sccc2O)nnc1N1CCO[C@@H](C)C1	1356279659	ZNYHLUDTQCDOBK-VIFPVBQESA-N	294.380	1.957	10	20	CDCD	
C[C@@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)[C@@H](C(=O)O)C1	1604742706	CUDUQHSNPFVAQH-MWLCHTKSSA-N	293.319	1.352	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)c1csc(C(=O)O)n1	1601540211	UDEIUTCWPFEQJC-UHFFFAOYSA-N	294.288	1.183	10	20	CDCD	
O=C(O)c1ccnc(C(=O)NCc2ccccc2O)c1	1608951892	SPHNOWCTBFZRFF-UHFFFAOYSA-N	272.260	1.415	10	20	CDCD	
CO[C@@H]1CCCC[C@H]1C(=O)NCc1cccc(O)c1O	1548791529	LYKMVEUPOREWLK-DGCLKSJQSA-N	279.336	1.919	10	20	CDCD	
N[C@@H]1CCC[C@H]1CC(=O)NCc1cccc(O)c1O	1580378596	LTPJJHZARMLZJF-GXSJLCMTSA-N	264.325	1.232	10	20	CDCD	
Cn1nc(C(=O)O)cc1CNCc1c(O)cccc1F	1594571937	GXLWQMMOIRXOBQ-UHFFFAOYSA-N	279.271	1.253	10	20	CDCD	
C[C@@H](N[C@H]1CCN(CCC(=O)O)C1=O)c1ccccc1O	1599841081	KFGPTKIGFQNMBF-PWSUYJOCSA-N	292.335	1.118	10	20	CDCD	
C[C@@H](C[S@](C)=O)NCc1c(O)cccc1Cl	164296195	IJFLQCAIDPEGMV-ZKANADHPSA-N	261.774	1.902	10	20	CDCD	
COc1cccc(CNC[C@H]2CCCS2(=O)=O)c1O	126928336	QUNKEGQKEIRVHA-LLVKDONJSA-N	285.365	1.068	10	20	CDCD	
Cc1cccc(CNC2CCN(S(C)(=O)=O)CC2)c1O	158096912	OBKFZEVPPVHRCZ-UHFFFAOYSA-N	298.408	1.214	10	20	CDCD	
COc1cccc(CNCc2cc(C)nn2C)c1O	284104241	WKYWBMVNNYFMJW-UHFFFAOYSA-N	261.325	1.733	10	20	CDCD	
CN(CCN1CCCC1)C(=O)Nc1ccc(N)cc1	63054533	AZBQGKSIWQVJMW-UHFFFAOYSA-N	262.357	1.828	10	20	CDCD	
CC[C@H]1CN(C(=O)Cc2ccc(N)cc2)[C@@H](C)CO1	403706825	GHWHMXRKXVZYNE-FZMZJTMJSA-N	262.353	1.837	10	20	CDCD	
C[C@H]1[C@@H](NC(=O)c2cccc(O)c2O)C[C@H]2CC[C@H]1N2	709285002	KUFTWGRRZNPYSN-IQIPOGNMSA-N	276.336	1.357	10	20	CDCD	
CC[C@H](NC[C@](C)(O)COC)c1ccccc1O	382563265	MQXHDOJWDCUFOA-JSGCOSHPSA-N	253.342	1.830	10	20	CDCD	
COCc1cc(C(=O)NCc2cccc(OC)c2O)no1	175931728	VCKWODGTIDRTKZ-UHFFFAOYSA-N	292.291	1.465	10	20	CDCD	
CCCCCN1CC(=O)N[C@@H]1c1cc2c(cc1O)OCO2	182333780	BPQUQFAUWULELZ-HNNXBMFYSA-N	292.335	1.742	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](C)NC(C)=O	70899760	DPPXYYPCYHRLKW-LBPRGKRZSA-N	291.395	1.626	10	20	CDCD	
COC[C@H](O)COc1ccc(N2CCCC2)cc1	180789135	QYCZOGMTBYKHDR-ZDUSSCGKSA-N	251.326	1.673	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NCC2(CO)CC2)c1	122323026	TZABCJMKOQTRGY-SNVBAGLBSA-N	251.326	1.824	10	20	CDCD	
CO[C@@H](CNC(=O)c1cccc(O)c1O)C(C)(C)C	185777123	HUMZHDHNRXMZLA-NSHDSACASA-N	267.325	1.889	10	20	CDCD	
C[C@H](O)C[C@H](C)CNC(=O)NCc1ccc(N(C)C)cc1	133899630	GWCUIEIUHPUONP-STQMWFEESA-N	293.411	1.959	10	20	CDCD	
Cn1cnc(S(=O)(=O)Nc2ccc(O)cc2F)c1	85203917	RYWKVLBHDYGRMV-UHFFFAOYSA-N	271.273	1.066	10	20	CDCD	
CO[C@H]1CCN(c2ccc(/C=C/C(=O)O)cc2[N+](=O)[O-])C1	234972095	ZIVCSIGVXXWXCR-TZNOJPMFSA-N	292.291	1.918	10	20	CDCD	
CCS(=O)(=O)CCN(C)Cc1cc(OC)ccc1O	180422492	YSOZTKUQAWXDNZ-UHFFFAOYSA-N	287.381	1.267	10	20	CDCD	
CCN(CCO)Cc1ccc([N+](=O)[O-])c(OC)c1O	278242727	NZJPZXYXBAEROF-UHFFFAOYSA-N	270.285	1.123	10	20	CDCD	
CCONC(=O)NCc1cccc(Br)c1O	278407001	PGMDCNDELUYOBM-UHFFFAOYSA-N	289.129	1.905	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H](C)CN(C)C)c1O	289754101	JJVMFHGIKBFLCJ-VIFPVBQESA-N	283.328	1.349	10	20	CDCD	
COc1cc(O)c(CN(C)Cc2nncn2C)cc1OC	288550978	ITZJXFNKLGKUAI-UHFFFAOYSA-N	292.339	1.170	10	20	CDCD	
COc1cccc(CNCc2ccc3c(c2)nnn3C)c1O	809740194	OJTALYWECPWLQI-UHFFFAOYSA-N	298.346	1.972	10	20	CDCD	
COCC(C)(C)CNC(=O)c1c(F)ccc(O)c1O	295369409	PRFMORZMNUYYQK-UHFFFAOYSA-N	271.288	1.639	10	20	CDCD	
C[C@H]1C[C@H](N[C@H]2[C@@H]3CNC[C@@H]32)c2c(O)ccc(F)c21	817978038	UMMYPQOLKLNXKC-OSTCSUHISA-N	262.328	1.887	10	20	CDCD	
Cc1nc([C@H](C)OC(=O)c2cccc(O)c2O)no1	811188842	AHCMCYRYTRAWEC-LURJTMIESA-N	264.237	1.707	10	20	CDCD	
COC[C@@H](C)[C@H](C)C(=O)NCc1ccc(OC)cc1O	812561425	NJFZSPIGLYMRGQ-MNOVXSKESA-N	281.352	1.936	10	20	CDCD	
C[C@@H](NC(=O)[C@@H]1CCCCN(C)C1=O)c1ccccc1O	827957332	UHUGNOYYFXTDFJ-YPMHNXCESA-N	290.363	1.828	10	20	CDCD	
O=C1CC[C@@H]2CN(Cc3cc(F)ccc3O)CC[C@H]2N1	827132760	OFIFAWZOQHSRKG-ZWNOBZJWSA-N	278.327	1.632	10	20	CDCD	
C[C@H](NC(=O)[C@H](C)CN)c1ccc(N2CCOCC2)cc1	827725944	QPAVGMUXAKTLNZ-OLZOCXBDSA-N	291.395	1.295	10	20	CDCD	
CC(=O)N(C)C1CCN(C(=O)c2cc(O)cs2)CC1	732277914	VOYMJBODAKPUBZ-UHFFFAOYSA-N	282.365	1.537	10	20	CDCD	
Cc1ccc(C(=O)N2C[C@@H](O)C[C@@H](C)C2)c(O)c1O	837172638	PLGBENFHBHIQSW-SCZZXKLOSA-N	265.309	1.249	10	20	CDCD	
CC[C@@H](CO)N(C)C(=O)NCc1ccc(N(C)C)cc1C	838478250	JCWJKHISDQFPRI-AWEZNQCLSA-N	293.411	1.973	10	20	CDCD	
COc1ccc(O)c(CNC(=O)NOCC2CC2)c1	838609673	OAAGCMOWGDDGSD-UHFFFAOYSA-N	266.297	1.542	10	20	CDCD	
CC(C)N(C)CCNC(=O)/C=C\c1ccc(O)c(O)c1	588406512	MMRYSUOZIIXZCF-ALCCZGGFSA-N	278.352	1.567	10	20	CDCD	
CN(CC(=O)Nc1ccon1)Cc1ccccc1O	732202692	CMBRZRQKARFBGS-UHFFFAOYSA-N	261.281	1.451	10	20	CDCD	
Nc1ccc(CC(=O)N2CCC[C@H]2c2ncc[nH]2)cc1	832139839	GOHUVSNKBSIPSL-ZDUSSCGKSA-N	270.336	1.898	10	20	CDCD	
CCS(=O)(=O)NCCCN(C)c1ccc(OC)cc1	844352948	KVWPWRWFFMGKHP-UHFFFAOYSA-N	286.397	1.461	10	20	CDCD	
COc1ccc(CNC(=O)[C@H]2C[C@@]23CCCNC3)c(O)c1	848429977	ZMUVRBUGMGGKCM-CZUORRHYSA-N	290.363	1.407	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)NC[C@H](C)C(=O)O	848580122	VYKASRUXACKWGZ-NSHDSACASA-N	293.367	1.581	10	20	CDCD	
N[C@H]1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1	841832753	RXCQBPVYAIDEEZ-AWEZNQCLSA-N	286.379	1.305	10	20	CDCD	
COc1cc(O)c(CN[C@H]2CCN[C@@H](C)C2)cc1OC	841060933	CISQGNVEEGOPCL-JQWIXIFHSA-N	280.368	1.640	10	20	CDCD	
CC(=O)c1cc(F)cc(CN[C@@H]2C[C@@H](O)C2(C)C)c1O	846960189	MVFOSGNPWAMLRL-CHWSQXEVSA-N	281.327	1.983	10	20	CDCD	
Cc1cc(CN2CCO[C@H](CC(=O)O)C2)ccc1N(C)C	846271794	BTRRNIQBMYPMRU-CQSZACIVSA-N	292.379	1.737	10	20	CDCD	
O=C(COCC(F)(F)F)NCc1ccc(O)cc1O	910950612	YKYDNMXLMBYCIO-UHFFFAOYSA-N	279.214	1.293	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@H]2CO[C@@H](C)C2)c1O	843431798	DSYVIHIFNVQZQG-WCBMZHEXSA-N	282.296	1.576	10	20	CDCD	
Cc1nc(O)[nH]c1C(=O)NCCCSc1nccs1	847487410	FTLJUGQFPBQEGQ-UHFFFAOYSA-N	298.393	1.792	10	20	CDCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)N1C(=O)CNC1=O	842264188	DYTYQSONBRSGIL-LLVKDONJSA-N	275.352	1.544	10	20	CDCD	
O=C(NC[C@@H](CO)CC1CC1)c1cccc(O)c1O	855916437	NUDQKKSGXCQPPJ-JTQLQIEISA-N	265.309	1.236	10	20	CDCD	
CC(C)c1nnc(COC(=O)c2cccc(O)c2O)o1	758571304	CSENCUUNLUNMCZ-UHFFFAOYSA-N	278.264	1.961	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)c1ccc2nnc(O)n2c1	763006666	AIEMUFBEISLMKV-UHFFFAOYSA-N	298.302	1.413	10	20	CDCD	
CCOc1cccc(CN2CCCNC(=O)C2)c1O	769115053	MVJXLHDAQJCOJB-UHFFFAOYSA-N	264.325	1.113	10	20	CDCD	
C[C@@H](NC(=O)N[C@H](C)c1ncnn1C)c1ccccc1O	868531955	FDJGCWDULBDSJZ-NXEZZACHSA-N	289.339	1.642	10	20	CDCD	
COc1ccc(O)c(CNC(=O)CCC2(O)CCC2)c1	866767574	UJNUZMUBISNASE-UHFFFAOYSA-N	279.336	1.712	10	20	CDCD	
CC[C@H](C[C@H](C)CO)NC(=O)c1cc(O)cs1	765310746	MIHCROSPRLLZFB-DTWKUNHWSA-N	257.355	1.981	10	20	CDCD	
Cc1ccc(CN[C@H]2CCCN(S(C)(=O)=O)C2)c(O)c1	876974423	HBGQFWLIVHAHDK-ZDUSSCGKSA-N	298.408	1.214	10	20	CDCD	
CCCN(C)CC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	773750106	UFKNHSMAXMBRMJ-NSHDSACASA-N	280.368	1.487	10	20	CDCD	
Oc1c(F)cc(Cl)cc1CN[C@H]1COC[C@H]1O	877667180	FCWNYIVLFDPGRS-VHSXEESVSA-N	261.680	1.034	10	20	CDCD	
C[C@@H](NCCNc1cnccn1)c1ccccc1O	783521419	XEGXTQFVGZVAEE-LLVKDONJSA-N	258.325	1.945	10	20	CDCD	
COCCCN(CCOC)Cc1cccc(OC)c1O	133096232	PJERLDMWPVWCDB-UHFFFAOYSA-N	283.368	1.886	10	20	CDCD	
O=C(COC(=O)c1cncc(O)c1)c1ccc(O)c(O)c1	783624549	MLOOMEIPZHFSDZ-UHFFFAOYSA-N	289.243	1.238	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NC[C@H]1CCC=CO1	781487893	OYMJFGLMGUEARS-HOSRBBHYSA-N	275.304	1.920	10	20	CDCD	
CO[C@@H]1CN(Cc2cc(Cl)cc(F)c2O)CCO1	895969047	VUJGLTRGJXYFCS-NSHDSACASA-N	275.707	1.989	10	20	CDCD	
COc1cc(C)cc(CNC[C@]2(C)CCC(=O)N2)c1O	894967739	QUDUTHMVHXXJFP-HNNXBMFYSA-N	278.352	1.468	10	20	CDCD	
COc1ccc(CNC(=O)C[C@H]2CCCOC2)c(O)c1	794387537	KSGUXCMEAKYYEW-LLVKDONJSA-N	279.336	1.834	10	20	CDCD	
CCO[C@H]1COCC[C@H]1NCc1ccccc1O	686591897	CPIAJXLUGVXQAU-OCCSQVGLSA-N	251.326	1.676	10	20	CDCD	
Cc1cc(O)ccc1NS(=O)(=O)c1ccc(C(=O)O)o1	80357623	PWHQHCYWHIURFP-UHFFFAOYSA-N	297.288	1.793	10	20	CDCD	
CC(C)OCCS(=O)(=O)NCCc1ccc(N)cc1	93665046	SUOASDVSDYMXNB-UHFFFAOYSA-N	286.397	1.156	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H]2CCOC2)c1	1338564173	ZGLLVXOASVQAPY-GHMZBOCLSA-N	294.351	1.798	10	20	CDCD	
Cn1cccc1CNC(=S)NC[C@@H]1CCOC1	1335125594	HRZRHRTXTCGRJK-JTQLQIEISA-N	253.371	1.026	10	20	CDCD	
CN1CCC(C)(CNC(=O)NCc2ccc(N)cc2)CC1	1336290873	VMODJPLIBZCNBL-UHFFFAOYSA-N	290.411	1.800	10	20	CDCD	
Cc1ccc(C(=O)NCCC2CCOCC2)c(O)c1O	1342033656	DJWYQVNLAKTPPS-UHFFFAOYSA-N	279.336	1.953	10	20	CDCD	
CCC1(CNC(=O)C(=O)NCCc2ccc(N)cc2)CC1	1345155220	NEYNLIBIGKKHIA-UHFFFAOYSA-N	289.379	1.234	10	20	CDCD	
O=Cc1ccc(O)c(O)c1I	220058920	JUPUYDKFUWSWJY-UHFFFAOYSA-N	264.018	1.515	10	20	CDCD	
Cc1c(NCc2cc(F)ccc2O)cnn1CC(=O)O	1600052189	DNZUHYWFXHJPNZ-UHFFFAOYSA-N	279.271	1.733	10	20	CDCD	
C[C@H](NC(=O)NCc1cccc(Cl)c1O)[C@@H](C)N	1576104858	KESDUYQDNAECDH-SFYZADRCSA-N	271.748	1.581	10	20	CDCD	
C[C@@H]1CC[C@H](NC(=O)NCc2cccc(Cl)c2O)CN1	1576666343	MOMBSSSLJRMVTC-KOLCDFICSA-N	297.786	1.985	10	20	CDCD	
CC(C)C[C@H](N)CC(=O)N[C@H](C)Cc1ccc(O)c(O)c1	1575644894	RVUSHJOBWCPMDK-YPMHNXCESA-N	294.395	1.909	10	20	CDCD	
CO[C@@H]1CCN(Cc2cccc(C)c2O)[C@H](C(=O)O)C1	1599124048	PESCLGDWRQMKKM-OLZOCXBDSA-N	279.336	1.765	10	20	CDCD	
CN(C)c1ccc(/C=C/CN[C@@H](CF)C(=O)O)cc1	1598314574	YJENBJFHRMSTHI-OOPCZODUSA-N	266.316	1.778	10	20	CDCD	
C[C@@H](CNCc1cc([N+](=O)[O-])ccc1O)[C@@H](F)C(=O)O	1776424911	RKYRPIODINNNSB-WRWORJQWSA-N	286.259	1.449	10	20	CDCD	
CCC(=O)N1CCCC[C@H]1C(=O)Nc1ccc(N)cc1	160335998	DRERGHOSUXUYJI-ZDUSSCGKSA-N	275.352	1.998	10	20	CDCD	
CNCC(=O)NCc1ccc(N2CCC(C)CC2)cc1	167860790	BSFRQZYTNCAHHJ-UHFFFAOYSA-N	275.396	1.759	10	20	CDCD	
Nc1ccc(OCc2cn([C@@H]3CCC[C@@H]3O)nn2)cc1	864621572	PVNWUMGXGAGFOY-KGLIPLIRSA-N	274.324	1.525	10	20	CDCD	
CN(C)[C@H]1CCC[C@@H](NC(=O)Cc2ccc(N)cc2)C1	237046341	HFKGUCRECHNYPZ-CABCVRRESA-N	275.396	1.800	10	20	CDCD	
COC[C@](C)(O)CNCc1ccc(N(C)C)cc1	69912313	RYBWXIZBOHMUQK-CQSZACIVSA-N	252.358	1.240	10	20	CDCD	
N#Cc1cncc(S(=O)(=O)Nc2ccc(O)cc2)c1	389069723	WEAURNHIWGEEBJ-UHFFFAOYSA-N	275.289	1.460	10	20	CDCD	
CO[C@@H]1COC[C@H]1N[C@H](C)c1cc(F)ccc1O	842912774	VXZNWLJLSFSXRG-XTWCZFFVSA-N	255.289	1.596	10	20	CDCD	
C[C@H](NC(=O)NCc1ccc(N(C)C)cc1)c1nc[nH]n1	180815351	VJCJGPUIJDZGIS-JTQLQIEISA-N	288.355	1.431	10	20	CDCD	
CN(C(=O)COCC(F)(F)F)c1ccc(N)cc1	37274190	YKJDEPDMGPOREO-UHFFFAOYSA-N	262.231	1.811	10	20	CDCD	
CC[C@@H](C(=O)N(C)Cc1ccccc1O)N(C)C	126437368	HRIAORDBGCWLQH-LBPRGKRZSA-N	250.342	1.691	10	20	CDCD	
COC(=O)CC(C)(C)NCc1cc(F)ccc1O	180923208	ULCVTZMBGLFZNX-UHFFFAOYSA-N	255.289	1.963	10	20	CDCD	
COC[C@H](C)CNCc1cc2c(cc1O)OCO2	45658157	NKCQJZXHDKZLJK-SECBINFHSA-N	253.298	1.493	10	20	CDCD	
CS(=O)(=O)[C@@H]1CCN(Cc2cccc(Cl)c2O)C1	282660996	GRMLOMDTZRMPPQ-SNVBAGLBSA-N	289.784	1.665	10	20	CDCD	
C[C@H](N)CCC(=O)NCc1ccc2c(c1)CCCN2C	193306325	FRVQGPBKYNXJGA-LBPRGKRZSA-N	275.396	1.813	10	20	CDCD	
COc1ccc(O)c(CN[C@@H](C)C(=O)NC(C)C)c1	228936253	AKXOMYJLNRHRDV-JTQLQIEISA-N	266.341	1.404	10	20	CDCD	
C[C@@H]1CCS(=O)(=O)CCN1Cc1cc(F)ccc1O	192055984	VOUXZKJPXGCIHU-SNVBAGLBSA-N	287.356	1.540	10	20	CDCD	
Cc1cc(C(=O)O[C@H](C)C(N)=O)c(C)n1-c1ccccn1	193010817	GFWNLAIIDXOJKK-LLVKDONJSA-N	287.319	1.520	10	20	CDCD	
CN(C)c1ccc(CNCc2cnnn2C)cc1F	267502424	HILIOBPOBLCYDP-UHFFFAOYSA-N	263.320	1.310	10	20	CDCD	
C[C@H]1OCC[C@]12CN(Cc1ccccc1O)CCO2	279748060	YEWJWVWWIXNRNO-DOMZBBRYSA-N	263.337	1.772	10	20	CDCD	
C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)[C@@H]1CCOC1	272654005	NLWLGJSXMKOLOV-ZIAVJRNFSA-N	277.320	1.652	10	20	CDCD	
COC[C@@H](NCc1cccc(C)c1O)[C@@H]1CCCO1	279386537	JVKSHXKHLAFBAH-KGLIPLIRSA-N	265.353	1.984	10	20	CDCD	
CCS(=O)(=O)NC1CCN(Cc2ccccc2O)CC1	289445697	MMBMSQHLXNXXIF-UHFFFAOYSA-N	298.408	1.296	10	20	CDCD	
O=[N+]([O-])c1ccc(O)c(CN[C@@H](CO)C2CCCC2)c1	289423996	CMJFIVHELPMYAZ-ZDUSSCGKSA-N	280.324	1.941	10	20	CDCD	
CC(C)(C)n1ncnc1CNC(=O)c1cccc(O)c1O	282210994	SZIPVARACPIPNQ-UHFFFAOYSA-N	290.323	1.374	10	20	CDCD	
CCCc1cc(C(=O)NCc2ccc(O)c(O)c2)no1	296266464	GMQNWRBDUHFGQF-UHFFFAOYSA-N	276.292	1.968	10	20	CDCD	
COCCN(CCN(C)C)Cc1c(O)cccc1OC	809740844	KBQRNLGEMNGCDX-UHFFFAOYSA-N	282.384	1.411	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN(C)[C@@H]2CCCOC2)c1O	809692668	CQXXXUTXJHXCCF-LLVKDONJSA-N	296.323	1.920	10	20	CDCD	
CC(=O)C(=O)Cn1cnc2c(oc3ccccc32)c1=O	808016722	BQSTVKUTAZOAPE-UHFFFAOYSA-N	270.244	1.301	10	20	CDCD	
COc1cc(O)c(CN2C[C@H](C)C[C@@H](CO)C2)cc1OC	817412325	IUWLXOPJHSPGMB-VXGBXAGGSA-N	295.379	1.860	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCC[C@H](c2nnc(O)o2)C1	819970489	LTVZDNOBISQMMA-ZETCQYMHSA-N	295.320	1.562	10	20	CDCD	
Nc1ccc(CCNC(=O)COC2CCOCC2)cc1	818544708	IVNYCMBVVHMUMM-UHFFFAOYSA-N	278.352	1.123	10	20	CDCD	
Cn1nc(C2CC2)nc1COC(=O)c1cccc(O)c1O	829016854	LCQYXTVELCWBNB-UHFFFAOYSA-N	289.291	1.461	10	20	CDCD	
CCc1noc(C(=O)NCc2ccc(N(C)C)cc2)n1	902611270	AOHXAJVTVUVTKP-UHFFFAOYSA-N	274.324	1.628	10	20	CDCD	
CC[C@@H](C)NC(=O)[C@H](C)NC(=O)c1cc(O)cs1	731871230	HEUKJROZJIGEQT-SFYZADRCSA-N	270.354	1.487	10	20	CDCD	
CC(C)C[C@@H]1C(=O)NCCN1C(=O)Cc1ccc(N)cc1	831975214	KMCWFPRQHCYHIY-CQSZACIVSA-N	289.379	1.184	10	20	CDCD	
COC[C@@H]1CCCN(C(=O)/C=C\c2ccc(O)c(O)c2)C1	588404634	KYCMKASGRUEGFB-SCXUMTSISA-N	291.347	1.996	10	20	CDCD	
O=C(O)CC[C@@H]1C[C@H](C(=O)NCc2ccccc2O)CO1	901608574	JSHKIBGIAJJDSP-NWDGAFQWSA-N	293.319	1.278	10	20	CDCD	
CC(C)OC[C@@H](O)CN(C)c1ccc(OCC(=O)O)cc1	833504155	ZHBAUAALHKQXCH-ZDUSSCGKSA-N	297.351	1.372	10	20	CDCD	
CCC[C@@](C)(N)C(=O)NCc1ccc(OC)cc1O	832178050	LPGQHQPXOCRZCD-CQSZACIVSA-N	266.341	1.535	10	20	CDCD	
Cc1ccc(O)c(CNC[C@H]2CNCCCO2)c1	841087769	WCVVQRQZIXFKKM-CYBMUJFWSA-N	250.342	1.169	10	20	CDCD	
CN[C@@H]1CCN(Cc2cccc(Br)c2O)C1	843044821	KFRIIOAUMKAZEZ-SNVBAGLBSA-N	285.185	1.948	10	20	CDCD	
CCc1cccc(CN2CC(N3CC[C@@H](O)C3)C2)c1O	848919743	RJGBTRXXGRNKPV-OAHLLOKOSA-N	276.380	1.205	10	20	CDCD	
COc1cccc(CN[C@@H]2CCNCC2(C)C)c1O	841073674	VXWWZJFQRIQDLQ-CYBMUJFWSA-N	264.369	1.879	10	20	CDCD	
Oc1cccc(Cl)c1CNC[C@H]1CNCCO1	841098508	HFSCLSJKCBOTLS-SECBINFHSA-N	256.733	1.124	10	20	CDCD	
CCOCC(C)(C)CNC(=O)C(=O)Nc1ccc(N)cc1	841131923	QBHZCAUUCJCQGK-UHFFFAOYSA-N	293.367	1.386	10	20	CDCD	
C[C@H]1CN(CCNC(=O)c2cc(O)cs2)[C@@H](C)CO1	855407390	MCVRSDLBHSLBPI-UWVGGRQHSA-N	284.381	1.293	10	20	CDCD	
CN1CCC[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1=O	759596017	SZPBPPMQGBOXBD-IYNGYCSASA-N	291.303	1.275	10	20	CDCD	
CC[C@@](C)(O)C(=O)NCCCSc1nccs1	932684245	VJXBYRYMTNNUNR-LLVKDONJSA-N	274.411	1.903	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)c1cc2n(n1)CCCO2	762047982	GWVZONZJUSKXNI-UHFFFAOYSA-N	287.319	1.643	10	20	CDCD	
COC(=O)CCCNC(=S)N[C@H](C)c1ccccc1O	865269260	GDTSMIKFBRGVJQ-SNVBAGLBSA-N	296.392	1.871	10	20	CDCD	
CN(Cc1cc2c(cc1O)OC[C@H]2O)[C@@H]1CCOC1	768448104	BKRVGTSVDVJQNL-ZWNOBZJWSA-N	265.309	1.039	10	20	CDCD	
CC(=O)c1cc(O)ccc1NS(=O)(=O)c1ccn(C)n1	766047444	IUCDBSGPNJLGPM-UHFFFAOYSA-N	295.320	1.129	10	20	CDCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2NCCN1CC[C@H](O)C1	1118866559	ZKTYLNVPKDJFLH-HZSPNIEDSA-N	290.407	1.905	10	20	CDCD	
CCOCCOC[C@@H](O)CNCc1ccc(C)cc1O	877474571	BHNWJCHZKJBNGG-AWEZNQCLSA-N	283.368	1.204	10	20	CDCD	
COCCO[C@H]1COCC[C@@H]1NCc1cccc(C)c1O	777219936	OHTFBGRSILLOPY-GJZGRUSLSA-N	295.379	1.611	10	20	CDCD	
Nc1ccc(CN2CCC3(CCNC3=O)CC2)cc1	1352789590	KQSPGIWCSBCERH-UHFFFAOYSA-N	259.353	1.371	10	20	CDCD	
C[C@H](NC(=O)[C@]1(F)CCNC1)c1ccccc1O	870988705	XLSFQFGZUPVCFZ-ZANVPECISA-N	252.289	1.271	10	20	CDCD	
CN(C(=O)CCN1CCCC1=O)c1ccc(N)cc1	877078599	WKKDGDIWKWXWGG-UHFFFAOYSA-N	261.325	1.244	10	20	CDCD	
Cc1nocc1C(=O)NC[C@H](N)c1ccc(N(C)C)cc1	876507028	UATODDYBDPHWNY-AWEZNQCLSA-N	288.351	1.479	10	20	CDCD	
Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2CNC(=O)C2)cc1	779366076	BFJAMVMZNNYKPY-AWEZNQCLSA-N	297.358	1.712	10	20	CDCD	
COC(=O)NCCC(=O)N[C@H](C)c1ccc(N(C)C)cc1	773018128	HINQDBHAEWGOBE-LLVKDONJSA-N	293.367	1.676	10	20	CDCD	
Cc1cccc(CNCc2nnnn2CC2CC2)c1O	770666624	AVVJWFNJAOBSMY-UHFFFAOYSA-N	273.340	1.387	10	20	CDCD	
CNC(=O)CCCCC(=O)NCc1cc(OC)ccc1O	779814370	ZZCNGRUYGSZDAE-UHFFFAOYSA-N	294.351	1.323	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CCC(=O)N1C	784005960	UOWWCGOARYQYHL-AWEZNQCLSA-N	289.379	1.298	10	20	CDCD	
COc1ccc(CNCc2cnc3n2CCOC3)c(O)c1	894184746	FMFFHJWKCJNLMK-UHFFFAOYSA-N	289.335	1.417	10	20	CDCD	
C[C@H](NC(=O)N(C)Cc1ccccc1O)c1ncnn1C	788886696	PYQWFUXVFSWWBR-JTQLQIEISA-N	289.339	1.423	10	20	CDCD	
CC[C@@H](CN1CCOCC1)NCc1ccc(C)cc1O	896616989	HAODWQMJIAGWNE-HNNXBMFYSA-N	278.396	1.901	10	20	CDCD	
CN1CCN(c2ccc(CN(C)Cc3ncc[nH]3)cc2)CC1	894586766	VJTHCBJWFSWTLQ-UHFFFAOYSA-N	299.422	1.794	10	20	CDCD	
CCOC(=O)[C@@H](C[C@@H]1CCCO1)NCc1ccccc1O	895865022	RJBXOGSABYHWGD-UONOGXRCSA-N	293.363	1.983	10	20	CDCD	
CCN(Cc1cc(C)cc(OC)c1O)[C@@H]1CCNC1=O	894664730	ZNDGYUFSAHEOMD-GFCCVEGCSA-N	278.352	1.420	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)CC2OCCO2)c1	793689971	QXZZLHQFRVRUKB-VIFPVBQESA-N	281.308	1.341	10	20	CDCD	
C[C@H](CCO)NCc1ccc(N2CCOCC2)cc1	96811405	FXXWMIXXJOAPTM-CYBMUJFWSA-N	264.369	1.384	10	20	CDCD	
Oc1ccc(Cl)c(F)c1CNCCN1CCC1	790981990	BWYUYMPPARCTAO-UHFFFAOYSA-N	258.724	1.980	10	20	CDCD	
CC(C)(O)CCNC(=O)NCc1ccc(N)cc1	1335509938	PGJXMOKICBBSEO-UHFFFAOYSA-N	251.330	1.229	10	20	CDCD	
COC(=O)[C@H]1CCN(C(=O)NCc2ccc(N)cc2)[C@@H]1C	1337070018	GHTLXFIRZNBGIX-MFKMUULPSA-N	291.351	1.362	10	20	CDCD	
CCOc1cccc(CN2C[C@@H](CN)C[C@@H]2C)c1O	216059100	CCNKSURQSBEUHJ-NWDGAFQWSA-N	264.369	1.960	10	20	CDCD	
O=C(N[C@@H](C(=O)O)c1ccc(O)cc1)c1cc(O)cs1	1601395659	OJINSEUZOXPGNP-LLVKDONJSA-N	293.300	1.715	10	20	CDCD	
COc1ccc(CNc2ccc(-c3nn[nH]n3)cn2)c(O)c1	1609355866	SGQPOTXNEXBZCF-UHFFFAOYSA-N	298.306	1.588	10	20	CDCD	
O=C(O)C1=NO[C@]2(CCN(Cc3cccc(F)c3O)C2)C1	1608589284	MNCMZCDHDHONCB-CQSZACIVSA-N	294.282	1.337	10	20	CDCD	
O=C(O)[C@H](CC(F)F)NCc1cccc(F)c1O	1601639070	GPABAQSGBVWTJQ-QMMMGPOBSA-N	263.215	1.729	10	20	CDCD	
CCOC[C@@H](NCc1ccc2c(c1)CCN2CC)C(=O)O	1776906758	ZPTZSCZPEKASEB-CQSZACIVSA-N	292.379	1.648	10	20	CDCD	
CCCN1CCC(NC(=O)c2cccc(O)c2O)CC1	126318049	JJWSVJCGBDVARX-UHFFFAOYSA-N	278.352	1.702	10	20	CDCD	
CC1(C)[C@H](O)C[C@H]1NCc1cc2c(cc1O)OCO2	128124599	VZKSFRIDITXTGP-CHWSQXEVSA-N	265.309	1.370	10	20	CDCD	
Oc1c(F)cc(F)cc1CNCC[C@@H](O)C1CC1	898194670	MRLIFQDUOJCQRT-GFCCVEGCSA-N	257.280	1.921	10	20	CDCD	
CN1CCC(O)(CNCc2cccc(Cl)c2O)CC1	271876989	ZPKOKZGWXSOILX-UHFFFAOYSA-N	284.787	1.592	10	20	CDCD	
Oc1cc2c(cc1CNCCc1cccnc1)OCO2	42880179	CTMDDWZVLQNFFY-UHFFFAOYSA-N	272.304	1.848	10	20	CDCD	
CC1CCN(S(=O)(=O)NCCc2ccc(N)cc2)CC1	40675713	UPAOMWJOBBZSCS-UHFFFAOYSA-N	297.424	1.378	10	20	CDCD	
CCOc1cccc(CNCc2cncn2C)c1O	289746145	HFCYKCVLUMBNJA-UHFFFAOYSA-N	261.325	1.814	10	20	CDCD	
CCOC[C@@H]1CCN(C(=O)c2cccc(O)c2O)C1	187163129	HYRHQKOSUWHSCY-SNVBAGLBSA-N	265.309	1.596	10	20	CDCD	
C[C@H]1CC[C@H](CNCc2cc3c(cc2O)OCO3)O1	398126556	TXKDBNJUUWZHEQ-GXSJLCMTSA-N	265.309	1.778	10	20	CDCD	
CN1CCCc2cc(CNS(=O)(=O)C3CC3)ccc21	173079247	HHIONRSYJJMHIJ-UHFFFAOYSA-N	280.393	1.651	10	20	CDCD	
COc1ccc(O)c(CNC(=O)Nc2cnn(C)c2)c1	114567359	SUBFRDTVVJOYQE-UHFFFAOYSA-N	276.296	1.456	10	20	CDCD	
COc1ccc(O)c(CNS(=O)(=O)N(C)C(C)C)c1	119844637	PHMASCJJXQRKEV-UHFFFAOYSA-N	288.369	1.075	10	20	CDCD	
CCC(CC)[C@@H](O)CNC(=O)c1ccc(C)c(O)c1O	177685061	JDFCMUGGNHIDPC-LBPRGKRZSA-N	281.352	1.933	10	20	CDCD	
CC(=O)N[C@H](C)C(=O)NCc1c(O)ccc2c1CCCC2	174512481	BBXILALMYTVKCJ-SNVBAGLBSA-N	290.363	1.412	10	20	CDCD	
CC(=O)N[C@@H](C)C(=O)N1CCOc2cc(N(C)C)ccc21	173191633	IINJWWZAADIHBU-JTQLQIEISA-N	291.351	1.003	10	20	CDCD	
COc1ccc(O)c(CNC(=O)NCCSC)c1	114594001	SURITTQQQUPMFD-UHFFFAOYSA-N	270.354	1.563	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@H]2CCc3cn[nH]c3C2)cc1	79318991	DNYRGHNLGSAIOE-ZDUSSCGKSA-N	298.390	1.897	10	20	CDCD	
CCOC(=O)CN1CCN(c2ccc(OC)c(F)c2)CC1	121996444	XUICBGFNSJOKOJ-UHFFFAOYSA-N	296.342	1.519	10	20	CDCD	
COc1cccc(CNC[C@@H]2CCCOC2)c1O	38044056	HEVXQJRPADQNJI-NSHDSACASA-N	251.326	1.917	10	20	CDCD	
Cc1ccc(C)n1-c1ccc(C(=O)N(C)CC(N)=O)cc1	47109397	PDKRNIGUCSKDLK-UHFFFAOYSA-N	285.347	1.651	10	20	CDCD	
CCN(Cc1cccc(Cl)c1O)[C@@H]1CCNC1=O	281722677	IOHRAZKATOSOQT-LLVKDONJSA-N	268.744	1.756	10	20	CDCD	
Cc1cc(C(=O)N[C@H]2CCCNC2)c(C)n1-c1ccccn1	237773931	BLLJYZGTEBLGQJ-AWEZNQCLSA-N	298.390	1.971	10	20	CDCD	
COCC[C@@](C)(O)CNCc1cccc(C)c1O	182210610	KPNUJJNRLLRMLF-CQSZACIVSA-N	253.342	1.578	10	20	CDCD	
Cc1cc(O)c(CN(CCO)C2CCOCC2)cc1C	275687597	AMCJMCNWCREKCN-UHFFFAOYSA-N	279.380	1.982	10	20	CDCD	
COC(=O)C[C@@H]1CCCN1C(=O)c1ccc(C)c(O)c1O	272774432	SZKHFSLLWBSSEB-JTQLQIEISA-N	293.319	1.574	10	20	CDCD	
COCCOCCN(C)Cc1cc(OC)c(OC)cc1O	288734950	WVNSFIXPAGQNGC-UHFFFAOYSA-N	299.367	1.504	10	20	CDCD	
C[C@@H]1COCC[C@H]1CNC(=O)c1cc(O)cs1	807704170	UHPRSBOYEUJITK-BDAKNGLRSA-N	255.339	1.856	10	20	CDCD	
CCc1nc(CSc2ncc(C(=O)OC)s2)n[nH]1	295412228	XKOWKLYNVYNYDI-UHFFFAOYSA-N	284.366	1.903	10	20	CDCD	
CSC[C@@H](O)CNCc1ccc(N(C)C)cc1C	819078160	SILLHNOPUALTNB-AWEZNQCLSA-N	268.426	1.875	10	20	CDCD	
CCOc1ccc(CN2CC[C@@H](NC(C)=O)C2)c(O)c1	817412141	DTOWEBICBNDVSZ-CYBMUJFWSA-N	278.352	1.501	10	20	CDCD	
COc1cnc(C(=O)NCc2cccc(OC)c2O)nc1	815834770	YKJYEEUPANSUEY-UHFFFAOYSA-N	289.291	1.129	10	20	CDCD	
CCOc1ccc(CN(C)C[C@H]2COCCO2)c(O)c1	827140080	HKXPUIRLOWGNPL-AWEZNQCLSA-N	281.352	1.638	10	20	CDCD	
O=C1CC[C@@H]2CN(Cc3ccccc3O)CC[C@H]2N1	827141159	PQNNGGNJTLSZJH-DGCLKSJQSA-N	260.337	1.493	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC[C@@H]2CCNC(=O)CC2)c1	828682122	IRKYPAPFQJLGFI-RYUDHWBXSA-N	292.379	1.968	10	20	CDCD	
COc1cccc(O)c1CNC[C@H]1CCCN1CCCO	824559591	VWXMDBREDRUJFZ-CYBMUJFWSA-N	294.395	1.337	10	20	CDCD	
CCN(CCNC(=O)NCc1ccccc1O)C(C)C	726708842	DSUYCVGJAPYGBD-UHFFFAOYSA-N	279.384	1.922	10	20	CDCD	
CN(Cc1ccn(C)c(=O)c1)Cc1ccccc1O	731843731	UZGHHJMBFOIGBU-UHFFFAOYSA-N	258.321	1.723	10	20	CDCD	
Oc1c(CNC[C@H](O)Cn2ccnn2)ccc2ccccc12	839181585	YVURUTNGUZNABA-AWEZNQCLSA-N	298.346	1.288	10	20	CDCD	
C[C@@H]1CN(C(=O)COC(=O)c2cc(O)cs2)C[C@@H](C)O1	732355021	ZYXNIXYIDHYXBF-RKDXNWHRSA-N	299.348	1.246	10	20	CDCD	
COc1ccc(CNC(=O)C23CC(C(=O)O)(C2)C3)c(O)c1	911719389	TXQJMCZEKROCGT-UHFFFAOYSA-N	291.303	1.272	10	20	CDCD	
Cn1nc(C(=O)NCCc2ccc(N)cc2)cc1C(F)F	911783535	WKBFZWLYEFLUGW-UHFFFAOYSA-N	294.305	1.912	10	20	CDCD	
c1cc(N2CCOCC2)ccc1CNC[C@@H]1CCCN1	841035804	MQTIRZDCTIIBHA-HNNXBMFYSA-N	275.396	1.365	10	20	CDCD	
CC[C@]1(C(=O)NCc2ccc(OC)cc2O)CCCN1	843500007	QAPFJZFCHMRGFD-OAHLLOKOSA-N	278.352	1.549	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNS(=O)(=O)C1CC1	742299066	SFKODMYFDBYGRZ-UHFFFAOYSA-N	268.382	1.643	10	20	CDCD	
CN(C)CCOc1ccc(N(C)CC(C)(C)N)cc1	843068646	LLWYDWKASGHDST-UHFFFAOYSA-N	265.401	1.801	10	20	CDCD	
CNC(=O)C(C)(C)CNCc1ccc(N(C)C)cc1C	840937717	WPQBURNYDGHMRK-UHFFFAOYSA-N	277.412	1.923	10	20	CDCD	
CN(Cc1nc(Cc2ccc(N)cc2)no1)C(=O)C1CC1	843160686	ZRNYPCNNJOOKSN-UHFFFAOYSA-N	286.335	1.611	10	20	CDCD	
Nc1ccc(CCNC(=O)N2[C@H]3CCNC[C@H]2CC3)cc1	841955417	BJKFKUSEABBUHX-HUUCEWRRSA-N	288.395	1.347	10	20	CDCD	
O=C(O)CC1(C(=O)NCc2ccccc2O)CCC1	843328775	NYHMFCODWAIFCY-UHFFFAOYSA-N	263.293	1.653	10	20	CDCD	
C[C@H]1COCCN1CCN[C@H](C)c1cc(F)ccc1O	756537397	YPZIZDFMQYYFHA-NWDGAFQWSA-N	282.359	1.903	10	20	CDCD	
COc1ccc(O)c(CNC(=O)NC2CC(F)(F)C2)c1	758751214	MMLYGTUPBJVKDU-UHFFFAOYSA-N	286.278	1.998	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NCc2cc(C)on2)c1	858159102	MFTMXWKICFJANH-UHFFFAOYSA-N	275.308	1.996	10	20	CDCD	
Nc1ccc(CC(=O)N[C@H]2CCCN3CCCC[C@@H]23)cc1	852898918	AWLPFNXZTUXHJJ-HOTGVXAUSA-N	287.407	1.944	10	20	CDCD	
O=C1C[C@@H](NCc2ccc3c(c2)CCCO3)CN1C1CC1	921813506	FPOGUTXXZLKFTR-CQSZACIVSA-N	286.375	1.865	10	20	CDCD	
C[C@H](N[C@H](C)CC(N)=O)c1cc(F)cc(F)c1O	756661277	QGMRSQSRROQTLO-RQJHMYQMSA-N	258.268	1.585	10	20	CDCD	
CCO[C@@H]1COCC[C@@H]1NCc1cc2c(cc1O)OCO2	759174490	UFJPWOARZHGPFE-XHDPSFHLSA-N	295.335	1.405	10	20	CDCD	
CC(=O)N[C@](C)(C(=O)NCc1ccc(O)c(O)c1)C(C)C	934944889	UQDWVGGHNQHIDG-HNNXBMFYSA-N	294.351	1.265	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)C1(CC)COC1	935949325	YEKHHIJELQRCNE-UHFFFAOYSA-N	284.352	1.921	10	20	CDCD	
C[C@H](O)CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1	765541759	NCRBTGYLLYCSOH-WDEREUQCSA-N	265.357	1.494	10	20	CDCD	
C[C@@H]1[C@H](C(=O)NCc2ccc(N(C)C)cc2)CCN1C	763954670	RELLKRSPTZVLAZ-IUODEOHRSA-N	275.396	1.709	10	20	CDCD	
C[C@@H]1CO[C@@H](CO)CN1Cc1ccc(N2CCCC2)cc1	1116450000	WGQCFBMCFIWWSK-RHSMWYFYSA-N	290.407	1.868	10	20	CDCD	
Cc1ccc(CN2CC[C@@H](N3CCOC3=O)C2)c(O)c1	877626638	XPUVVHXDODGTMS-CYBMUJFWSA-N	276.336	1.727	10	20	CDCD	
CC[C@H](CO)NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1	773621453	YXXSIACCPKTKIU-WCQYABFASA-N	279.384	1.884	10	20	CDCD	
CCn1cnnc1CNC(=O)/C=C/c1ccc(O)c(O)c1	779498366	DWHAQJXCPPKOTM-GQCTYLIASA-N	288.307	1.039	10	20	CDCD	
CN(Cc1nccn1C)C(=O)/C=C/c1ccc(O)c(O)c1	779475328	JZBUVXSWRYRYFN-GQCTYLIASA-N	287.319	1.503	10	20	CDCD	
O=C1C[C@H](CNCc2cc(F)cc(F)c2O)CN1C1CC1	883158417	FRGZAGAOZLRSGG-SECBINFHSA-N	296.317	1.771	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2cccc(C(N)=O)n2)cc1	781566181	OLDHVUFCKLAMJZ-UHFFFAOYSA-N	298.346	1.177	10	20	CDCD	
C/C=C\c1cn(CC(=O)NCc2ccc(N(C)C)cc2)nn1	881094489	KHBYFMLMVXLKPQ-PLNGDYQASA-N	299.378	1.694	10	20	CDCD	
COc1ccc(CN2CCC[C@H](CO)C2)c(O)c1OC	891393797	RCCLWQHUAYKYQI-NSHDSACASA-N	281.352	1.614	10	20	CDCD	
COC(=O)[C@@H]1CN(Cc2cc(F)cc(F)c2O)C[C@H]1C	895067516	WWGSPHIGXISWIW-LDYMZIIASA-N	285.290	1.911	10	20	CDCD	
O=C(NCCCCCCO)c1cccc(O)c1O	193153016	IGCVLFKVRLLQCT-UHFFFAOYSA-N	253.298	1.380	10	20	CDCD	
CCCN(CCC)S(=O)(=O)NCc1ccccc1O	751148954	DTJISCXEADYXLO-UHFFFAOYSA-N	286.397	1.849	10	20	CDCD	
CCc1cccc(CNCCN2CCC(O)CC2)c1O	691473911	JXSZDOOIKWVUSC-UHFFFAOYSA-N	278.396	1.501	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N2CC(O)(C3CC3)C2)cc1	1326698247	MFFILQMGMSJVFA-UHFFFAOYSA-N	289.379	1.419	10	20	CDCD	
COC(=O)c1cnc(S[C@H](C)OC(C)=O)s1	1329533105	XJGWYSNABXIPEQ-ZCFIWIBFSA-N	261.324	1.931	10	20	CDCD	
Nc1ccc(CC(=O)N2CCCc3ccnc(O)c32)cc1	1355401503	FFFXNNYQQOMCNZ-UHFFFAOYSA-N	283.331	1.891	10	20	CDCD	
O=C(NCc1ccc(N2CCOCC2)cc1)[C@H]1C[C@@H]1F	1519019625	IYFPYZRNZGNPCN-KBPBESRZSA-N	278.327	1.497	10	20	CDCD	
Cc1cc(CN2C[C@@H](O)C[C@H](C(=O)O)C2)ccc1N(C)C	1600191860	INMDQJSESKWLCL-KBPBESRZSA-N	292.379	1.328	10	20	CDCD	
Cc1nc(N(C)Cc2ccccc2O)ccc1-c1nn[nH]n1	1606048590	WXQYZEPHHWXEIF-UHFFFAOYSA-N	296.334	1.912	10	20	CDCD	
COc1cn(C)nc1[C@@H](C)NC(=O)Cc1ccc(N)cc1	1579318888	DPTVRJUACQIOSW-SNVBAGLBSA-N	288.351	1.431	10	20	CDCD	
Nc1ccc(CNC(=O)c2ccc3c(n2)OCCO3)cc1	1580445689	PLNUQJNHNZFZEN-UHFFFAOYSA-N	285.303	1.365	10	20	CDCD	
CCN(CCCN(C)C)C(=O)Cc1ccc(N)cc1	230695365	ALROUKOQJDWOKB-UHFFFAOYSA-N	263.385	1.612	10	20	CDCD	
CO[C@H]1C[C@H](N[C@@H](C)c2cc(C(=O)O)ccc2O)C1	1599326707	WSPKFHRYPFAIJL-LSJOCFKGSA-N	265.309	1.918	10	20	CDCD	
CN[C@@H](C)CCN[C@@H](C)c1cc(C(=O)O)ccc1O	1598663241	CNVREPLMSIMESN-UWVGGRQHSA-N	266.341	1.739	10	20	CDCD	
CCOCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	5097781	MEQGJZVMEAIPNF-HNNXBMFYSA-N	293.411	1.508	10	20	CDCD	
COc1ccc(N(C)C[C@H]2CCCN2)c(OC)c1	258952060	RLMDJSUISDFZJG-LLVKDONJSA-N	250.342	1.892	10	20	CDCD	
C[C@H]1C[C@@H](C)[C@H](CN)CN1C(=O)Cc1ccc(N)cc1	817860500	OERYIJOIDWVPEF-MBNYWOFBSA-N	275.396	1.643	10	20	CDCD	
CCOCCOCCNCc1cccc(OC)c1O	922941628	OQFKCNJLLUWOJC-UHFFFAOYSA-N	269.341	1.544	10	20	CDCD	
CCN(C(=O)c1cccc(O)c1O)C1CCN(C)CC1	861892743	QVAZBIIADCNJMH-UHFFFAOYSA-N	278.352	1.654	10	20	CDCD	
Cc1ccc([C@@H](C)NC[C@H]2COCCO2)c(O)c1	38060608	RLFHSVPDHPZQPY-NEPJUHHUSA-N	251.326	1.767	10	20	CDCD	
COc1ccc(CNCC2(S(C)(=O)=O)CC2)cc1C	279638013	IWXKDOHRXUICSI-UHFFFAOYSA-N	283.393	1.670	10	20	CDCD	
C[C@@H]1CC[C@H](CNC(=O)c2cccc(O)c2O)O1	398114418	TYNHPOIZMUUOLQ-RKDXNWHRSA-N	251.282	1.395	10	20	CDCD	
Cc1ccc([C@@H](C)NCCCN2CCN(C)CC2)c(O)c1	20128529	QXBLIOXHCWUGRD-OAHLLOKOSA-N	291.439	1.989	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1cocn1	115281337	PXUQCIUOPUWAKC-UHFFFAOYSA-N	259.309	1.979	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1cnn(C)c1	173206818	RPLBDRWDKQASSM-UHFFFAOYSA-N	286.335	1.525	10	20	CDCD	
COCCC(=O)NCc1c(O)ccc2c1CCCC2	174517915	MRZCBENVLFMMBL-UHFFFAOYSA-N	263.337	1.924	10	20	CDCD	
CC[C@@H](SC)C(=O)NCCc1ccc(O)c(O)c1	122111235	WCAHAAQADVJKNU-GFCCVEGCSA-N	269.366	1.898	10	20	CDCD	
C[C@H](CCO)NC(=O)NCc1ccc(N2CC=CC2)cc1	120791923	CQKBNDKCARIYFF-CYBMUJFWSA-N	289.379	1.633	10	20	CDCD	
COc1cc(O)c(CN2C[C@@H]3CN(C)C[C@@H]3C2)cc1OC	194538973	RATNEPNJTIXJID-BETUJISGSA-N	292.379	1.403	10	20	CDCD	
CO[C@@H](C)CNC(=O)NCCCSc1nccs1	190724156	JQNPWXLYMITEOS-VIFPVBQESA-N	289.426	1.959	10	20	CDCD	
CCCC(=O)N1CCC[C@@H]1C(=O)NCc1ccccc1O	269152063	QDVJSOIQSRUVGQ-CYBMUJFWSA-N	290.363	1.800	10	20	CDCD	
Cc1ccc(C(=O)NC[C@H]2CSCCS2)c(O)c1O	272546635	ACDYCFIQGOWTME-VIFPVBQESA-N	299.417	1.985	10	20	CDCD	
C[C@H](O)CCCNCc1cc([N+](=O)[O-])ccc1O	278748167	WAAGMFSBHVUYEW-VIFPVBQESA-N	254.286	1.551	10	20	CDCD	
C[C@H](N[C@H](C)c1nncn1C)c1cc([N+](=O)[O-])ccc1O	273612481	WLNLURZVVYJSKD-DTWKUNHWSA-N	291.311	1.841	10	20	CDCD	
COc1cc(N2C[C@H](O)C(C)(C)C2)c([N+](=O)[O-])cc1OC	279468314	NEDPOFWNSXZQRA-ZDUSSCGKSA-N	296.323	1.819	10	20	CDCD	
Cc1ccc(O)c([C@H](C)N[C@H](CO)c2cnn(C)c2)c1	273446759	FHFLNNQUPSIKTH-SMDDNHRTSA-N	275.352	1.818	10	20	CDCD	
O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1CCCNC1	289673812	DFVHHUBQXPZCTI-CYBMUJFWSA-N	288.391	1.887	10	20	CDCD	
CCCN(CC)C(=O)C(=O)NCc1ccc(N(C)C)cc1	283403178	HVVRWBSEMCNRBC-UHFFFAOYSA-N	291.395	1.627	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2cccc(O)n2)cc1F	801611869	FKKBMVAKMJCVNO-UHFFFAOYSA-N	289.310	1.922	10	20	CDCD	
CCC(=O)N1CC[C@@H](N[C@@H]2CCc3cccc(O)c32)C1	296770543	KMVQVXWZVJCIKM-CHWSQXEVSA-N	274.364	1.980	10	20	CDCD	
COC(=O)c1cnc(NCCc2ccc(O)c(O)c2)nc1	804533391	FBMIFQSDEQBVJT-UHFFFAOYSA-N	289.291	1.329	10	20	CDCD	
COc1cccc(CN2CCC(F)(F)[C@@H](CO)C2)c1O	291277230	OHDVDQDUEVGVRJ-LLVKDONJSA-N	287.306	1.850	10	20	CDCD	
CN(C(=O)C(=O)NCCCSc1nccs1)C1CC1	806280691	JIRPGTVTZXUZSK-UHFFFAOYSA-N	299.421	1.362	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CCCN1	649347751	XZAVWATZENZDNL-GFCCVEGCSA-N	275.352	1.230	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CCC(=O)C1	648803238	HGHUOQOGNLAVKD-NSHDSACASA-N	288.347	1.847	10	20	CDCD	
CCc1nnc(CNC(=O)NCc2ccccc2O)s1	290955515	MZTIHUKRTAGWQE-UHFFFAOYSA-N	292.364	1.806	10	20	CDCD	
CCn1ccnc1C(=O)NCc1ccc(OC)cc1O	813553404	BTLVCRTZMFYHOU-UHFFFAOYSA-N	275.308	1.547	10	20	CDCD	
CC[C@@H](N)CN[C@@H](C)c1cc(C(=O)OC)ccc1O	817980837	XJJFXCJPBDAUGP-GXSJLCMTSA-N	266.341	1.567	10	20	CDCD	
C[C@@H](NCCN1CCNCC1)c1ccc(F)cc1O	817945047	SCOLEXYJONDUJK-LLVKDONJSA-N	267.348	1.087	10	20	CDCD	
N[C@H]1CCC[C@H]1NCc1ccc(N2CCOCC2)c(F)c1	817889997	VXPHQMWPHMWNCM-LSDHHAIUSA-N	293.386	1.632	10	20	CDCD	
C[C@H]1NCC[C@@H]1C(=O)NCc1ccc(N2CCCC2)cc1	827004323	FFCVNCJGBRQLSD-CJNGLKHVSA-N	287.407	1.901	10	20	CDCD	
CC(C)C[C@H](C(N)=O)C(=O)N[C@H](C)c1ccccc1O	827952284	MNPIKYWHWORBPB-ZYHUDNBSSA-N	278.352	1.717	10	20	CDCD	
CCCOc1ccc(CN[C@@H](CC(=O)O)C(=O)O)cc1C	904053707	SSQIDHXGYISYDP-LBPRGKRZSA-N	295.335	1.801	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2[C@H]3CCC(=O)[C@@H]32)c1	907059535	CRQHXEMTNCMXJI-XTBZUSCZSA-N	289.331	1.803	10	20	CDCD	
Cc1cccnc1C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1	832267619	XWBRQHMDXXOXJL-OAHLLOKOSA-N	298.390	1.886	10	20	CDCD	
CN(C)c1ccc([C@H](N)CNC(=O)c2cnsn2)cc1	832274073	RTHVXNAHOZICNI-LLVKDONJSA-N	291.380	1.034	10	20	CDCD	
CN(C)c1ccc([C@H](N)CNC(=O)c2cscn2)cc1	832273521	ONHMFQMYXJDWSN-GFCCVEGCSA-N	290.392	1.639	10	20	CDCD	
C[C@H]1C[C@H](C(=O)NCc2ccc(O)cc2O)CCC1=O	910950240	TVAWINVITPCPKV-VHSXEESVSA-N	277.320	1.719	10	20	CDCD	
CN(Cc1ccc(N2CCOCC2)c(F)c1)[C@H]1CCNC1	843049417	NNFBWPDMTVVBIU-AWEZNQCLSA-N	293.386	1.456	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2NC(=O)O[C@H]2C)c1	841404597	GTTXDLWNXQHQIO-YVZVNANGSA-N	294.307	1.075	10	20	CDCD	
CCc1cccc(CNC[C@@H](CO)[C@H]2CCOC2)c1O	848907592	FYQDRVDFGFKEGJ-GJZGRUSLSA-N	279.380	1.689	10	20	CDCD	
COc1cccc([C@H](C)N[C@@H]2CCCCNC2=O)c1O	846139530	UVMMOBUQUBIDNN-CMPLNLGQSA-N	278.352	1.720	10	20	CDCD	
CON(C)C(=O)[C@@H](C)NCc1cc(C)c(C)cc1O	858324820	HEGDOYXYOXNCNA-LLVKDONJSA-N	266.341	1.507	10	20	CDCD	
COC[C@@](C)(O)CN[C@@H](C)c1cc([N+](=O)[O-])ccc1O	756576411	NKKIHMGSCQTQLR-ZANVPECISA-N	284.312	1.348	10	20	CDCD	
Nc1ccc(NC(=O)C(=O)N2CC[C@@H]3C[C@@H]3C2)cc1	850850964	LOWKCCXRXMYMFI-NXEZZACHSA-N	259.309	1.076	10	20	CDCD	
CN(Cc1nccs1)Cc1cc2c(cc1O)OC[C@H]2O	768466415	QAKJSSDJEIRKFZ-GFCCVEGCSA-N	292.360	1.907	10	20	CDCD	
COC(=O)[C@H]1C[C@@H](O)CN(Cc2ccc(C)cc2O)C1	877607396	AFBYTGAUMAIYEL-QWHCGFSZSA-N	279.336	1.056	10	20	CDCD	
OC[C@@H]1CCCN1Cc1ccc(N2CCC(O)CC2)cc1	876635827	JWQCMIYUKFHLIJ-INIZCTEOSA-N	290.407	1.604	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2c[nH]cc(C)c2=O)c1	777802686	UOGXPDGYJZISBS-UHFFFAOYSA-N	288.303	1.328	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H](O)c1ccco1	779530947	IIHWSAXLCHQNOI-DIECRNLCSA-N	289.287	1.554	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)N[C@@H](C)CN(C)C)c1	875583839	UPDMXGOFOYHJLZ-NSHDSACASA-N	265.357	1.450	10	20	CDCD	
COCCOC(=O)NCc1ccc(OC)cc1O	885162699	RRWXNTWASTVCQG-UHFFFAOYSA-N	255.270	1.273	10	20	CDCD	
C[C@@H]1C[C@@H](O)CN1Cc1ccc(N2CCOCC2)c(F)c1	788266764	BJCUXMSMLAKBHU-TZMCWYRMSA-N	294.370	1.617	10	20	CDCD	
O=C(NCc1ccccc1O)N[C@@H]1C[C@@H]2CC[C@H]1O2	1122448024	KHRFGAYDCOHADF-DMDPSCGWSA-N	262.309	1.511	10	20	CDCD	
COc1cccc([C@H](C)N[C@H](CO)C[C@H]2CCCO2)c1O	886672353	MVMHAEMWTGFFPQ-RWMBFGLXSA-N	295.379	1.981	10	20	CDCD	
O=C(c1c(F)ccc(O)c1O)N1CC[C@]2(CCOC2)C1	789990481	QCPXKCSSTHCFHZ-AWEZNQCLSA-N	281.283	1.490	10	20	CDCD	
CCOc1ccc(CN2C[C@@H](O)C[C@H]2C)c(O)c1	788270368	RHNFAEMHKXRDPA-PWSUYJOCSA-N	251.326	1.746	10	20	CDCD	
CCN(CC)C(=O)CNC(=O)c1ccc(C)c(O)c1O	780906633	ARNNCGKMPCBDMN-UHFFFAOYSA-N	280.324	1.004	10	20	CDCD	
CCN(CCC(=O)NC)Cc1cc2c(cc1O)OCO2	897709933	LUEFNTDCBVSIQM-UHFFFAOYSA-N	280.324	1.079	10	20	CDCD	
COc1ccc(CN[C@H]2C[C@@H](CO)C2)c(O)c1OC	895697432	YDOROWCQBVHIBZ-JGZJWPJOSA-N	267.325	1.270	10	20	CDCD	
COC[C@]1(CO)CCN(Cc2cc(F)cc(F)c2O)C1	894928069	HOYLCJFDANSCIP-CQSZACIVSA-N	287.306	1.501	10	20	CDCD	
CC[C@H](NC(=O)c1cccc(O)c1O)[C@H](O)C(F)(F)F	790912237	QJAZIEXGQMQQDH-XVKPBYJWSA-N	293.241	1.529	10	20	CDCD	
COc1ccc(CNC[C@@H](OC)C2CC2)c(O)c1OC	894631095	AUQKRAKATGCUNM-CYBMUJFWSA-N	281.352	1.924	10	20	CDCD	
COC(=O)C(C)(C)N(C)Cc1ccc(OC)c(OC)c1O	891903385	LEZCPBUXBWOLLP-UHFFFAOYSA-N	297.351	1.793	10	20	CDCD	
CCOCCOC[C@H](O)CNCc1ccc2c(c1)CCO2	791006542	MAYRUSFKMKCABG-OAHLLOKOSA-N	295.379	1.125	10	20	CDCD	
CN(Cc1ccccc1O)C[C@@H]1CC2(CC2)C(=O)O1	763727295	ILVZISYLODZTTQ-LBPRGKRZSA-N	261.321	1.920	10	20	CDCD	
COc1cccc(O)c1CN1CCCN(C)CC1	771924571	OUWKPLOWUDZZEV-UHFFFAOYSA-N	250.342	1.538	10	20	CDCD	
CN(C)c1cc(F)c(CNc2ccn(CCO)n2)cc1F	1329141071	NFJGIBXFDNXUPF-UHFFFAOYSA-N	296.321	1.832	10	20	CDCD	
COc1cccc([C@@H](C)NCc2nnc(C)n2C)c1O	1327322532	BKRUPIOONQPMTK-SECBINFHSA-N	276.340	1.689	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)NCCN1CC=CC1	1320757182	SROYRVBUSPKWCU-XQRVVYSFSA-N	274.320	1.099	10	20	CDCD	
CN(C)c1ccc(CN[C@@H](C(=O)O)[C@H]2CCCO2)cc1	1330287450	YKRARJYTOOZDLF-ZIAGYGMSSA-N	278.352	1.474	10	20	CDCD	
Nc1ccc(CN2CCS(=O)(=O)[C@@H]3CCCC[C@H]32)cc1	1262488270	WPPHSGRWQPXZQC-HUUCEWRRSA-N	294.420	1.810	10	20	CDCD	
C[C@@H](NCCN1CCC1)c1cc(C(=O)O)ccc1O	1609782311	ZKYGZHZXIWFKEP-SNVBAGLBSA-N	264.325	1.447	10	20	CDCD	
C[C@@H](O)CCCN[C@H](C)c1cc(C(=O)O)ccc1O	1604383585	DDFRBUZPTBJWMW-NXEZZACHSA-N	267.325	1.902	10	20	CDCD	
C[C@H](NCc1cc([N+](=O)[O-])ccc1O)[C@@H]1CCCNC1	1576245011	NEZCERYCQUFYKD-WDEREUQCSA-N	279.340	1.778	10	20	CDCD	
CN(C)c1ccc(OCCn2cncn2)cc1C(=O)O	1598328593	UOWMLDDNKQUKSL-UHFFFAOYSA-N	276.296	1.121	10	20	CDCD	
Cc1nsc(NCc2ccccc2O)c1-c1nn[nH]n1	1592493314	YTAZCPTUWBUOTE-UHFFFAOYSA-N	288.336	1.949	10	20	CDCD	
CN(Cc1cc(F)ccc1O)[C@@H](COC1CCC1)C(=O)O	1598508512	MDFNFWVQAZWLHE-ZDUSSCGKSA-N	297.326	1.985	10	20	CDCD	
OCCOCCCNCc1ccc2c(c1)CCCO2	921982220	DMLWOZNRJATDMO-UHFFFAOYSA-N	265.353	1.500	10	20	CDCD	
Oc1ccccc1CNC1CCN([C@H]2CCOC2)CC1	848526369	YAPVZNCATZLGIG-HNNXBMFYSA-N	276.380	1.735	10	20	CDCD	
Nc1ccc(OCc2cn([C@@H]3CCC[C@H]3O)nn2)cc1	864621574	PVNWUMGXGAGFOY-ZIAGYGMSSA-N	274.324	1.525	10	20	CDCD	
Cc1ccc(CN2CCC[C@@H](S(C)(=O)=O)C2)c(O)c1	877367351	NTSKQCGCZQHLTD-CYBMUJFWSA-N	283.393	1.710	10	20	CDCD	
Cc1ccc(O)c([C@H](C)NCCS(C)(=O)=O)c1	37740749	QODOSBACWKCNGA-JTQLQIEISA-N	257.355	1.396	10	20	CDCD	
Cc1cccc(CN2CCC(S(C)(=O)=O)CC2)c1O	311693868	SRHQWSGVXKBCHN-UHFFFAOYSA-N	283.393	1.710	10	20	CDCD	
COc1ccc(O)c(CNCc2csnn2)c1	398418506	ONHJQOAERYYJMW-UHFFFAOYSA-N	251.311	1.542	10	20	CDCD	
CCOCCCNC(=O)NCc1cc(OC)ccc1O	114582288	XMPNHOOLPIOCLI-UHFFFAOYSA-N	282.340	1.627	10	20	CDCD	
C[C@H]1CN(c2ccc(/C=C/C(=O)O)cc2[N+](=O)[O-])CCO1	20362355	QLBXYZOEAUBKOI-GFAPAMAISA-N	292.291	1.918	10	20	CDCD	
O=C(NCc1c(O)ccc2c1CCCC2)[C@H]1CCCN1	182348882	DCVIDDSIKHWALG-CQSZACIVSA-N	274.364	1.639	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2cnc(C)nc2C)c1	180736617	PGRHBQXRBDGEKD-UHFFFAOYSA-N	287.319	1.738	10	20	CDCD	
O=S1(=O)CCC[C@H]1CNCc1cc(Cl)ccc1O	126887597	PBQXTELHGAJFEV-NSHDSACASA-N	289.784	1.712	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)C1[C@@H]2CCC[C@@H]12	122907283	FRABACRAASXXQH-GHMZBOCLSA-N	261.321	1.803	10	20	CDCD	
COc1ccc(N(C)CCNS(C)(=O)=O)cc1Cl	121847902	KUHOJXCMUZUHFT-UHFFFAOYSA-N	292.788	1.334	10	20	CDCD	
OCC(F)(F)CNCc1cc(Cl)ccc1O	183878360	IOIVRWWBHFJVQJ-UHFFFAOYSA-N	251.660	1.763	10	20	CDCD	
COc1ccc(N2CCN(C(=O)[C@H](C)[C@H](C)N)CC2)cc1	133709995	SWHKACLGBRNIDO-OLZOCXBDSA-N	291.395	1.327	10	20	CDCD	
CO[C@H]1CN[C@H](C(=O)N(C)Cc2ccc(N(C)C)cc2)C1	40634793	DHEMIKPVBMQVGP-CABCVRRESA-N	291.395	1.088	10	20	CDCD	
COc1ccc(O)c(CNC[C@@H]2CCCS(=O)(=O)C2)c1	290601043	VXEPAHUMUSNUTL-NSHDSACASA-N	299.392	1.315	10	20	CDCD	
Cc1cc(O)c(CN2CC[C@@H]3COC(=O)N[C@H]3C2)cc1C	369701181	DEAGHSFJCLWMJM-OCCSQVGLSA-N	290.363	1.939	10	20	CDCD	
COC(=O)C[C@@H]1CCCN1C(=O)c1cccc(O)c1O	279882091	RUZJPYZUGKRPRV-VIFPVBQESA-N	279.292	1.266	10	20	CDCD	
O=C(CC(=O)NCC(F)(F)F)NCc1ccccc1O	272392882	LPXAKVNAKIQKSX-UHFFFAOYSA-N	290.241	1.077	10	20	CDCD	
Oc1ccccc1CN1CCOC[C@H]1c1ncon1	378542827	PATPVMNJCQFGDA-NSHDSACASA-N	261.281	1.349	10	20	CDCD	
COc1ccc(O)c(CN2C[C@@H](O)C(C)(C)C2)c1	280445564	KUVWJUQKLGBIJX-CYBMUJFWSA-N	251.326	1.604	10	20	CDCD	
COCCNCCN[C@H](C)c1ccc(C)cc1O	817964979	LVLNCPSRCCGVHG-GFCCVEGCSA-N	252.358	1.587	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)N[C@@H](C)CCCN)c1	817977380	JBNBVKFWWOPKQQ-WDEREUQCSA-N	280.368	1.957	10	20	CDCD	
CC[C@@H](C)NC(=O)COC(=O)c1ccc(C)c(O)c1O	727005732	VWOVHILUWFWJGZ-SECBINFHSA-N	281.308	1.478	10	20	CDCD	
CCONC(=O)CNCc1cc(Cl)c(C)cc1O	826142815	LWEGPHXPIDTETA-UHFFFAOYSA-N	272.732	1.511	10	20	CDCD	
Cn1cc(/C=C\C(=O)N2CCc3ccc([N+](=O)[O-])cc32)cn1	825523002	ORBUORIVOWCAEF-DJWKRKHSSA-N	298.302	1.931	10	20	CDCD	
O=S1(=O)CC[C@@]2(CCCN(Cc3ccccc3O)C2)C1	824977695	OGJJBTPPDHGIKD-OAHLLOKOSA-N	295.404	1.793	10	20	CDCD	
COc1ccc(O)c(CN(CC(F)F)C[C@@H](C)O)c1	825098405	IGALXWPXHFBTJC-SECBINFHSA-N	275.295	1.849	10	20	CDCD	
CC[C@H](NCc1cc(Cl)cc(F)c1O)C(=O)NC	825316709	RMVBIDWZKVTULM-JTQLQIEISA-N	274.723	1.799	10	20	CDCD	
COCC(C)(C)N1CCN(Cc2ccccc2O)CC1	822498109	UWDLGPHZGVHTQJ-UHFFFAOYSA-N	278.396	1.935	10	20	CDCD	
COc1ccc(N(Cc2nc(=O)n(C)[nH]2)CC2CC2)cc1	831587755	KKZCRYHTVLHUAU-UHFFFAOYSA-N	288.351	1.534	10	20	CDCD	
CN1CCC[C@@H](CCNCc2cc3c(cc2O)OCO3)C1	839181906	KFPKGXKLILZNDX-LBPRGKRZSA-N	292.379	1.942	10	20	CDCD	
CO[C@H](C)CC(=O)NC[C@H](N)c1ccc(N(C)C)cc1	832282011	XFWKUIQJBDQZAP-RISCZKNCSA-N	279.384	1.294	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)NC[C@@H]1CCCCN1	841919649	BNWPRNXSIQDMFI-ZDUSSCGKSA-N	277.368	1.676	10	20	CDCD	
CCNCCNC(=O)N(CC)Cc1ccc(N(C)C)cc1	841934741	JETFDNIXJILCPM-UHFFFAOYSA-N	292.427	1.894	10	20	CDCD	
CCN(C)C(=O)CN[C@H](C)c1cccc(OC)c1O	846165234	UKOJWUCVSROBOS-SNVBAGLBSA-N	266.341	1.530	10	20	CDCD	
CCc1cccc(CN2CCOC[C@H]2C(=O)OC)c1O	848883808	CFIZOSBOONSTIV-ZDUSSCGKSA-N	279.336	1.328	10	20	CDCD	
Cc1cc(CN2CCO[C@@H](C(=O)O)C2)ccc1N(C)C	846272503	PLPINUQEZOLKNJ-CQSZACIVSA-N	278.352	1.346	10	20	CDCD	
CCN1CCC(NC(=O)NCCc2ccc(N)cc2)CC1	841638703	XCZRRWCAAKLQBE-UHFFFAOYSA-N	290.411	1.595	10	20	CDCD	
CCc1ncc(NC(=O)NCCc2ccc(N)cc2)cn1	841152617	KBVXBLCXZDOSQT-UHFFFAOYSA-N	285.351	1.985	10	20	CDCD	
COC[C@@H](O)CCNCc1ccc(N(C)C)cc1C	840936006	FSLVDBBEAGJENC-HNNXBMFYSA-N	266.385	1.548	10	20	CDCD	
CO[C@H](C)CNC(=O)NCc1cc(Cl)ccc1O	852534804	QCVYJTKOQNJCQE-MRVPVSSYSA-N	272.732	1.880	10	20	CDCD	
O=[N+]([O-])c1cc(Cl)cc(CNC[C@H]2C[C@@H](O)C2)c1O	858296147	JZYJGVOFFBXIFD-WKFQBHICSA-N	286.715	1.814	10	20	CDCD	
CN1C(=O)CC[C@@H]1CC(=O)NCc1cc(Cl)ccc1O	855022561	BSVITACAQHZOLF-LLVKDONJSA-N	296.754	1.673	10	20	CDCD	
NC(=O)[C@H](Cc1ccccc1)NCc1ccc2c(c1)CCO2	758143120	DVRWSKWOTVIJFS-INIZCTEOSA-N	296.370	1.808	10	20	CDCD	
C[C@H]1CN(Cc2ccc(N3CCOCC3)cc2)C[C@H]1O	930160588	SCMVVLNQQAIOPP-XJKSGUPXSA-N	276.380	1.336	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@@H](C)n2cccn2)c1	862758964	RHHNWUKQUBFLBP-LLVKDONJSA-N	259.309	1.775	10	20	CDCD	
CN(CC(=O)NC(=O)NC1CCCC1)c1ccc(N)cc1	863556530	SRJDALSMFATIFH-UHFFFAOYSA-N	290.367	1.473	10	20	CDCD	
COc1ccc(N2CCN(Cc3cnnn3C)CC2)cc1	768140095	KIMOTRRDJPWROR-UHFFFAOYSA-N	287.367	1.146	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2cncnc2)c1	760917146	APMOKQZHGCIYJK-SECBINFHSA-N	273.292	1.682	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)c2cnc(N(C)C)cn2)c1	862758083	OFHHWGJPRGWHFK-UHFFFAOYSA-N	286.335	1.487	10	20	CDCD	
Cc1ccc(CN(C2CC2)[C@H]2CCS(=O)(=O)C2)c(O)c1	876586382	DGLNORYXFFTZDJ-AWEZNQCLSA-N	295.404	1.852	10	20	CDCD	
CCN(CC(=O)N=S(C)(C)=O)c1ccc(OC)cc1	878220168	ZYWZTVWKSUFYEO-UHFFFAOYSA-N	284.381	1.776	10	20	CDCD	
CN1CCN(c2ccc(CNC[C@H]3C[C@H](O)C3)cc2)CC1	873178541	WUEKMLNXEJDZSV-JCNLHEQBSA-N	289.423	1.299	10	20	CDCD	
O=C(Cc1c[nH]c2ncccc12)NCc1ccc(O)c(O)c1	778926231	AWKQMRLLWZKAAZ-UHFFFAOYSA-N	297.314	1.833	10	20	CDCD	
Cc1nc(CCN[C@H](C)c2c(O)cccc2F)n[nH]1	886587967	IVNJHJCAIISBBZ-MRVPVSSYSA-N	264.304	1.851	10	20	CDCD	
C[C@@H](NCC1(CO)COC1)c1c(O)cccc1F	886553566	PZRMFHQCQAIWGR-SECBINFHSA-N	255.289	1.191	10	20	CDCD	
CO[C@@H](C)CCC(=O)OCC(=O)c1ccc(O)c(O)c1	784647599	SEFJLEICKIWTLJ-VIFPVBQESA-N	282.292	1.639	10	20	CDCD	
O=C(OC[C@@H]1CCS(=O)(=O)C1)c1cc(O)cs1	788939192	CXBUZBNWYHMYPF-ZETCQYMHSA-N	276.335	1.045	10	20	CDCD	
CCO[C@@H]1C[C@H](NCc2cc(C)cc(OC)c2O)[C@@H]1OC	894466527	HGKDFVHUUYGRAW-BJJXKVORSA-N	295.379	1.991	10	20	CDCD	
C[C@@H](NC(=O)[C@@H]1C[C@@H]1C(=O)O)c1ccc(N(C)C)cc1	899782460	VCIYKGPCFHMIQR-WQAKAFBOSA-N	276.336	1.651	10	20	CDCD	
COc1ccc(CNC(=S)NCCSC)c(O)c1	795030648	CWCODSDTFWEPMW-UHFFFAOYSA-N	286.422	1.728	10	20	CDCD	
CN(C)c1ccc(CNC(=O)C(=O)NCCC2CC2)cc1	1322918705	FQNTYHHZLJFBSB-UHFFFAOYSA-N	289.379	1.285	10	20	CDCD	
CN1C[C@H](CN2CCOc3cc(N(C)C)ccc32)OC1=O	1324939873	KTNAXGFIAFRLQB-GFCCVEGCSA-N	291.351	1.402	10	20	CDCD	
CCN1CCCN(C(=O)NCc2ccc(N)cc2)CC1=O	1337017663	AWLNYUKMPMLHEJ-UHFFFAOYSA-N	290.367	1.033	10	20	CDCD	
CCC[C@@H](O)[C@@H](CO)NCc1ccc(N2CCCC2)cc1	1345189563	AIWHAICUXDUHIO-IAGOWNOFSA-N	292.423	1.898	10	20	CDCD	
O=C(NCc1cccc(O)c1O)c1cnc(C2CC2)[nH]1	1350300191	NPXRXMLBYACHEX-UHFFFAOYSA-N	273.292	1.628	10	20	CDCD	
CN(C[C@]1(C)CCCNC1)c1ccc(OCC(=O)O)cc1	1606107586	JHMBWONGVREKLT-MRXNPFEDSA-N	292.379	1.976	10	20	CDCD	
CCN(C)C(=O)[C@@H](C)N[C@@H](C)c1cc(C(=O)O)ccc1O	1605406478	ZMTUJYQKAOYMQU-VHSXEESVSA-N	294.351	1.608	10	20	CDCD	
C[C@H]1CN(Cc2cccc(Cl)c2O)C[C@@H](C(=O)O)O1	1607477171	WSUNLNLIPYTMDX-KWQFWETISA-N	285.727	1.720	10	20	CDCD	
CO[C@@H](C)[C@@H](C)N[C@H](C)c1cccc(-c2nn[nH]n2)c1O	1605005315	GMKMCCCSFZLUIB-BBBLOLIVSA-N	291.355	1.646	10	20	CDCD	
Nc1ccc(CNC(=O)NCC(O)(C2CC2)C2CC2)cc1	1580445719	RHBPTUCFGKGZHS-UHFFFAOYSA-N	289.379	1.619	10	20	CDCD	
CCn1cnnc1CN[C@@H](C)c1cc(OC)ccc1O	230658840	JOTQXOLUFNSHKF-JTQLQIEISA-N	276.340	1.863	10	20	CDCD	
C[C@H](NC(=O)c1cc(C(=O)O)n[nH]1)c1ccccc1O	1594238122	BWOKBJZRMQLGFG-ZETCQYMHSA-N	275.264	1.305	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H]1C[C@@H]1C(=O)O	1596586964	MYMVFKZQROEJQM-BDAKNGLRSA-N	284.308	1.215	10	20	CDCD	
CCN(CC)c1ccc(CN(C)C[C@@](C)(O)C(=O)O)cc1	1596290058	YDOSONZZFHIEEE-MRXNPFEDSA-N	294.395	1.800	10	20	CDCD	
CCc1cnc(CNCc2ccc(C(=O)O)cc2O)[nH]1	1776957924	QYQNPNJKMXFOLC-UHFFFAOYSA-N	275.308	1.666	10	20	CDCD	
CN(C)CC[C@H](NCc1ccc2c(c1)CCO2)C(=O)O	1777030472	XRTDHGJDMPFTRZ-ZDUSSCGKSA-N	278.352	1.116	10	20	CDCD	
Cc1nc(NCc2ccc(N3CCOCC3)cc2)n(C)n1	162439213	WGTPWDWPONEDDI-UHFFFAOYSA-N	287.367	1.572	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)c1cccc2cn[nH]c12	158911056	BPGMQHAJRINNEJ-UHFFFAOYSA-N	283.287	1.904	10	20	CDCD	
CN(C[C@@H]1CCCOC1)C(=O)c1cccc(O)c1O	126418565	LLPQKPBDFHHIFU-JTQLQIEISA-N	265.309	1.596	10	20	CDCD	
CCn1cnc(C(=O)NCCc2ccc(N)cc2)c1	852797505	VEVMHEZLHLSVAO-UHFFFAOYSA-N	258.325	1.458	10	20	CDCD	
COc1cccc(CNCC[C@@H](O)C2CC2)c1O	898205143	AEKRXQAIZCHBED-GFCCVEGCSA-N	251.326	1.651	10	20	CDCD	
CCC[C@@H](N)C(=O)N(C)Cc1ccc(N(C)C)cc1	37801170	MFOZQYCLMAJWQS-CQSZACIVSA-N	263.385	1.838	10	20	CDCD	
COc1ccc(CN[C@H](C)c2ncn(C)n2)cc1C	275770915	HAPZBTGTBUZEOR-LLVKDONJSA-N	260.341	1.983	10	20	CDCD	
CCOc1cccc(CN2CCO[C@H](C(=O)O)C2)c1O	86806064	BGTHEJLKENWIOL-LBPRGKRZSA-N	281.308	1.076	10	20	CDCD	
O=C(NCc1ccccc1O)[C@H]1CC12CCOCC2	690050920	GBRWHRULIMFEGK-GFCCVEGCSA-N	261.321	1.825	10	20	CDCD	
Cc1ccc(C(=O)N2CCC[C@H](N(C)C)C2)c(O)c1O	177680851	LKMJPOQDDKUELS-NSHDSACASA-N	278.352	1.572	10	20	CDCD	
COc1cccc(CN2CCC(CO)CC2)c1O	127079218	HFLXDDCQWBZOQN-UHFFFAOYSA-N	251.326	1.605	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NCC(=O)NCC2CCC2)c1	182464511	WSNAGWZURJBGBT-LLVKDONJSA-N	292.379	1.968	10	20	CDCD	
CO[C@H](C)CNC(=O)NCc1ccc(N2CC=CC2)cc1	190587068	QXFWCMWCYMJZPF-CYBMUJFWSA-N	289.379	1.897	10	20	CDCD	
COc1ccc(N(C)Cc2ncnn2C)c(OC)c1	132057077	KAIURFRGSDBSSL-UHFFFAOYSA-N	262.313	1.469	10	20	CDCD	
CCS(=O)(=O)C[C@@H](C)N[C@@H](C)c1ccccc1O	183603753	KDDVITJQDGTOOH-MNOVXSKESA-N	271.382	1.866	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)[C@@H]1CC1(F)F	295517934	RTYIQAYFGDQGPS-QMMMGPOBSA-N	257.236	1.412	10	20	CDCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)NC2CCC2)c1	264459160	RGOZHKOLLQERDO-UHFFFAOYSA-N	284.337	1.046	10	20	CDCD	
C[C@@H](NC[C@@H](O)c1cnn(C)c1)c1ccc(N(C)C)cc1	268875392	ISQXFGSMGPHLMU-MLGOLLRUSA-N	288.395	1.870	10	20	CDCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N1CCO[C@@H]2C[C@H]21	366172878	SUPKPRZLSKOGFF-HZPDHXFCSA-N	299.374	1.746	10	20	CDCD	
Cc1ccc(C(=O)N2CCCN3CCC[C@@H]3C2)c(O)c1O	367988988	OVOUREBTJIPPTJ-GFCCVEGCSA-N	290.363	1.717	10	20	CDCD	
COC(=O)[C@H]1CCN(C(=O)c2cccc(O)c2O)C[C@@H]1C	276626581	PAZANSQDTRJASR-UWVGGRQHSA-N	293.319	1.369	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)N[C@H](C)CCO)c1	273609657	VLZCGQHXAYBXJI-NXEZZACHSA-N	267.325	1.600	10	20	CDCD	
Cc1ccc(CNCc2ccc3c(c2)CCO3)c(=O)n1C	278674373	HOGMBMFIOJPZMH-UHFFFAOYSA-N	284.359	1.918	10	20	CDCD	
CON(CC1CCOCC1)C(=O)c1cccc(O)c1O	282528335	UTTPHPIZUIOGMU-UHFFFAOYSA-N	281.308	1.528	10	20	CDCD	
COc1cccc(CNC(=O)[C@@](C)(OC)C2CC2)c1O	291729625	QQSJTQDLNBLTBN-HNNXBMFYSA-N	279.336	1.832	10	20	CDCD	
COCC(C)(C)N(C)C(=O)c1ccc(C)c(O)c1O	294114443	NNBRTKGGNNNUDP-UHFFFAOYSA-N	267.325	1.903	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CSCCCO)cc1	298261775	OMHIIVLKEDIXDF-UHFFFAOYSA-N	282.409	1.484	10	20	CDCD	
COc1cccc(CN[C@@H]2CCCC[C@H]2N)c1O	818431284	IKEZXWFXBDSGCG-VXGBXAGGSA-N	250.342	1.760	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)C[C@@H](N)C2CC2)c1	828668230	ZTAZXXOOFVZYJK-TVQRCGJNSA-N	278.352	1.705	10	20	CDCD	
COC(=O)CCCC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	821807669	XUMKOWCUPWNAFE-JTQLQIEISA-N	295.335	1.488	10	20	CDCD	
C[C@@H](NC(=O)C[C@H]1CCC(=O)NC1)c1ccccc1O	827952461	SYHMTTIEBZADFZ-GHMZBOCLSA-N	276.336	1.486	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1ccn(C)n1	734407418	UNMNCSILPBSKHB-UHFFFAOYSA-N	272.352	1.725	10	20	CDCD	
CCCCOCC(=O)NC[C@@H](N)c1ccc(N(C)C)cc1	832273020	LJFFDUJPHXDUOR-OAHLLOKOSA-N	293.411	1.685	10	20	CDCD	
O=C1CC[C@@H](C(=O)OCC(=O)c2ccc(O)c(O)c2)C1	830915302	CRFPQSXNJNAAPO-SECBINFHSA-N	278.260	1.193	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)c2cc(O)n(C)n2)c1	830541137	SVVPFBUNHDWYNX-QMMMGPOBSA-N	291.307	1.331	10	20	CDCD	
COc1ccccc1NC[C@H](O)C[C@@]1(O)CCOC1	905300904	QSPZPVVEZJIMBX-RISCZKNCSA-N	267.325	1.010	10	20	CDCD	
COc1ccc(O)c(CNc2c([N+](=O)[O-])ncn2C)c1	733994848	RCZCTAZGHMELAT-UHFFFAOYSA-N	278.268	1.655	10	20	CDCD	
CCCN(C)CC(=O)N[C@H](C)c1cc(OC)ccc1O	730285567	XTENLWWQYDAFPV-LLVKDONJSA-N	280.368	1.920	10	20	CDCD	
CCOc1ccc(N(C)CC(=O)N2CCO[C@@H](C)C2)cc1	739923491	GUXJWCLMAXBHBW-ZDUSSCGKSA-N	292.379	1.769	10	20	CDCD	
C[C@H](NC(=O)N[C@H]1C[C@@H](O)C1)c1ccc(N(C)C)cc1	838559724	PCQANYKUFIGDNH-VHRBIJSZSA-N	277.368	1.636	10	20	CDCD	
CC1(C)COC(=O)[C@@H]1NC(=O)/C=C/c1ccc(O)c(O)c1	837639585	YTTITCMHOMFJOJ-BPJJOFIESA-N	291.303	1.179	10	20	CDCD	
CCN1C[C@@H](N[C@@H](C)c2cc([N+](=O)[O-])ccc2O)CC1=O	834891874	SZDXGNVMYKCHKU-UWVGGRQHSA-N	293.323	1.572	10	20	CDCD	
CCc1cccc(CN(CCOC)CC(=O)N(C)C)c1O	848880793	BBEREZSLXKHDCJ-UHFFFAOYSA-N	294.395	1.491	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)N[C@H](C)CN)cc1F	841798379	HBMOXSSDVIRWIV-LLVKDONJSA-N	296.390	1.818	10	20	CDCD	
CCNCCNCc1ccc(OC)c(COCC)c1	841037722	UFAQIBJWCJDUHY-UHFFFAOYSA-N	266.385	1.931	10	20	CDCD	
CCN1CCCN(C(=O)NCCc2ccc(N)cc2)CC1	841961000	YXZFOMLZGPVBOU-UHFFFAOYSA-N	290.411	1.549	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC[C@H](O)C1CCOCC1	840933983	LJPUEVZYVKJJGX-KRWDZBQOSA-N	292.423	1.938	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N2CC[C@](C)(CN)C2)cc1	841655642	SVUTZIZMXLXPRD-MRXNPFEDSA-N	290.411	1.633	10	20	CDCD	
CCOc1ccc(O)c(CNC[C@@H](C)C(=O)O)c1	848637567	JGHAOBPFZPLORO-SECBINFHSA-N	253.298	1.601	10	20	CDCD	
C[C@H](NCc1ccc(N(C)C)c(F)c1)c1cnnn1C	924861078	HJFFUMMXXCGCKU-JTQLQIEISA-N	277.347	1.871	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCC[C@@H]2N)c1	852801823	ARKIQNVWLSBRPR-NDMJEZRESA-N	278.352	1.705	10	20	CDCD	
COc1ccc(CNC(=O)[C@@]2(C(=O)O)CC2(C)C)c(O)c1	852942341	HZFZQNZUXUFDRL-OAHLLOKOSA-N	293.319	1.518	10	20	CDCD	
C[C@H](NCCN1CCOC[C@@H]1C)c1ccc(F)cc1O	756537380	YJTQQANPZQFVJH-RYUDHWBXSA-N	282.359	1.903	10	20	CDCD	
Cc1cc(C(=O)COC(=O)c2cccc(O)c2O)on1	758570816	AUTVFFJXYOJQGD-UHFFFAOYSA-N	277.232	1.434	10	20	CDCD	
C[C@@H](C(=O)NCc1cc(Cl)ccc1O)[C@@H]1CCC(=O)N1	862130248	DNSUCZAUXJNWJK-KCJUWKMLSA-N	296.754	1.577	10	20	CDCD	
CCN(C)c1ccc([C@@H](C)NC[C@@]2(O)CCN(C)C2)cc1	762790199	YJJWXLFGLTYPOQ-PBHICJAKSA-N	291.439	1.860	10	20	CDCD	
CC(=O)NC(C)(C)C(=O)N(C)Cc1ccccc1O	769283317	UFAOCIHXUXCJDV-UHFFFAOYSA-N	264.325	1.265	10	20	CDCD	
CC[C@@H]1CN(Cc2cc3c(cc2O)OC[C@H]3O)C[C@H](C)O1	768447272	NXTBZXSBJWEKSM-JVLSTEMRSA-N	293.363	1.817	10	20	CDCD	
CONC(=O)C1CCN(Cc2cc(OC)ccc2O)CC1	877786798	ZENVOZITUMTHLF-UHFFFAOYSA-N	294.351	1.290	10	20	CDCD	
Cc1nc2n(n1)CCN(Cc1c(C)cccc1O)C2	876747106	VXIFEMLDJWDQCY-UHFFFAOYSA-N	258.325	1.616	10	20	CDCD	
CC[C@](C)(O)CNCc1ccc(N2CCC(O)CC2)cc1	876914720	HBNMPYIZPHAEHY-KRWDZBQOSA-N	292.423	1.898	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNCc1ncnn1C	877032136	ZNVMLHACCIPYMD-UHFFFAOYSA-N	259.357	1.479	10	20	CDCD	
COc1cc(C)cc(CN[C@@H](C)CN2CCOCC2)c1O	894175543	BDYFLKSEXTVCMC-ZDUSSCGKSA-N	294.395	1.520	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)Cc1ccn(C)n1	782297214	PVKRUAQBNLUIMY-UHFFFAOYSA-N	286.379	1.653	10	20	CDCD	
Oc1c(F)cc(F)cc1CN1CC[C@@H](C2OCCO2)C1	896378325	QQFDRKHLAINJJL-SECBINFHSA-N	285.290	1.865	10	20	CDCD	
O=S1(=O)CC[C@@H](NCc2c(O)cccc2Cl)C1	83551548	KJAUOFBBJUSQTL-MRVPVSSYSA-N	275.757	1.322	10	20	CDCD	
COc1ccc(CNC(=O)NCCCN(C)C)c(O)c1	792775642	ADPXONFNRJOXKL-UHFFFAOYSA-N	281.356	1.152	10	20	CDCD	
COc1ccc(O)c(CN(C)CC(C)(C)CN)c1	93873094	YLCXBZNOYXFKBN-UHFFFAOYSA-N	252.358	1.818	10	20	CDCD	
COc1ccc(O)c(CNCCC[S@](C)=O)c1	164717646	DRXUDRBZDUGODK-QGZVFWFLSA-N	257.355	1.259	10	20	CDCD	
FCCOCCNCc1ccc(N2CCOCC2)cc1	702633916	XCQUEKVDCIHWLI-UHFFFAOYSA-N	282.359	1.599	10	20	CDCD	
C[C@@](CO)(CNCc1ccc2c(c1)CCO2)CC(=O)O	1333185827	SXVWZYWPWWJKIV-HNNXBMFYSA-N	279.336	1.184	10	20	CDCD	
CCN(CC)S(=O)(=O)NCc1cc(C)ccc1O	1334974598	CVVMUXHVAQHVQQ-UHFFFAOYSA-N	272.370	1.377	10	20	CDCD	
COc1cc(O)ccc1NS(=O)(=O)c1cn(C)nc1C	1334017853	XPBSWOPGSHXBSU-UHFFFAOYSA-N	297.336	1.244	10	20	CDCD	
O=C(O)CC[C@@H](NCc1ccc2c(c1)CCO2)C(=O)O	1334090436	VPHNVXBIAGPPOD-LLVKDONJSA-N	279.292	1.029	10	20	CDCD	
CCCN(C(=O)C(=O)N(C)Cc1ccccc1O)C1CC1	1344937100	MVGYWZIFQWROMN-UHFFFAOYSA-N	290.363	1.752	10	20	CDCD	
C[C@H](C(=O)NCc1cccc(O)c1O)N1CCSCC1	1263894734	SVQVHAXTARXRCB-SNVBAGLBSA-N	296.392	1.151	10	20	CDCD	
CC(C)(C)O[C@@H]1C[C@H]1C(=O)NCc1cccc(O)c1O	1263896469	ZZYBDMZBBBCXIG-ZYHUDNBSSA-N	279.336	1.918	10	20	CDCD	
CN(C)c1ccc(CNC(=O)C23CCC(CC2)N3)cc1F	1341677324	LKGIHNFQMWSUFE-UHFFFAOYSA-N	291.370	1.793	10	20	CDCD	
COc1cccc(CN2CCCS(=O)(=O)CC2)c1O	219781268	LIHREBYQECMAGI-UHFFFAOYSA-N	285.365	1.021	10	20	CDCD	
CNS(=O)(=O)CCN[C@H]1C[C@H](C)c2c(C)ccc(O)c21	221109735	BRGDNWQKCXRMDC-QWRGUYRKSA-N	298.408	1.388	10	20	CDCD	
CC[C@@H](O)CCN[C@H](C)c1cc(C(=O)O)ccc1O	1605111846	RZVPWXZILSSTLP-MWLCHTKSSA-N	267.325	1.902	10	20	CDCD	
COc1cc(C)cc(CN2CCC[C@@H](O)[C@H]2C(=O)O)c1O	1607149356	JTOGMAUNVBMXAH-YPMHNXCESA-N	295.335	1.119	10	20	CDCD	
COc1ccc(CN[C@H]2CCNC2)cc1Cn1cccn1	1579217937	INNHCKKBNCQPQC-HNNXBMFYSA-N	286.379	1.392	10	20	CDCD	
CC(C)COC1CN(C(=O)NCCc2ccc(N)cc2)C1	1575608112	LFSASNRHVRFIOP-UHFFFAOYSA-N	291.395	1.878	10	20	CDCD	
C[C@@H](NCc1cn(C)cn1)c1cc(C(=O)O)ccc1O	1593310017	FCVWNSAIUHWJFX-SECBINFHSA-N	275.308	1.675	10	20	CDCD	
C[C@H](N[C@@H](CO)CCF)c1cc(C(=O)O)ccc1O	1593209512	MLSJYPGZFDEGIV-WCBMZHEXSA-N	271.288	1.462	10	20	CDCD	
C[C@H](NCC1(C)COC1)c1cc(C(=O)O)ccc1O	1593247569	GLKLVCRGUAPJHD-VIFPVBQESA-N	265.309	1.778	10	20	CDCD	
CCN(C)c1ccc(CNC[C@@H](OC)C(=O)O)c(C)c1	1776856401	RYYFIIDFOPKLPD-CQSZACIVSA-N	280.368	1.640	10	20	CDCD	
CCN1CCc2cc(CNC[C@](C)(O)CC(=O)O)ccc21	1776877447	JGGVSBGNIKCKIZ-MRXNPFEDSA-N	292.379	1.384	10	20	CDCD	
C[C@@H](CNCc1ccc2c(c1)CCO2)[C@@H](F)C(=O)O	1776425512	AUEOQXXYIPDPDH-TVQRCGJNSA-N	267.300	1.770	10	20	CDCD	
NC(=O)c1cccc(CNCc2ccccc2O)c1	36902916	KFJBEALNFLHXAB-UHFFFAOYSA-N	256.305	1.781	10	20	CDCD	
CNC(=O)CCNCc1ccc(N2CCCCC2)cc1	44988818	YJTKLDFHQOFCNH-UHFFFAOYSA-N	275.396	1.903	10	20	CDCD	
CO[C@@H]1CCN(C(=O)c2cccc(O)c2O)[C@H](C)C1	388217372	FWYPQUGIWDPGBW-NXEZZACHSA-N	265.309	1.737	10	20	CDCD	
CCc1cccc(CN2CC[C@@H](CC(N)=O)C2)c1O	690729212	HFAUUULZBNHJNQ-NSHDSACASA-N	262.353	1.652	10	20	CDCD	
CCc1cccc(CN[C@@H](CO)C[C@H]2CCCO2)c1O	895750357	ZSXAGSFWIUGRDI-HUUCEWRRSA-N	279.380	1.974	10	20	CDCD	
COCC[C@@H](C)NC(=O)NCc1ccc(N(C)C)cc1	101602148	XFCQUVSMMZYFPJ-GFCCVEGCSA-N	279.384	1.977	10	20	CDCD	
CCNC(=O)CN(C)c1ccc(OC)c(OC)c1	64517389	RUQSQHMFVRUXGR-UHFFFAOYSA-N	252.314	1.276	10	20	CDCD	
C[C@H]1CCCN(CCNC(=O)c2cccc(O)c2O)C1	186939557	NTBMYUIPWUXVBO-NSHDSACASA-N	278.352	1.560	10	20	CDCD	
c1cc(N2CCOCC2)ccc1CNC[C@@H]1COCCO1	37997918	GQYVOOYMVGZOKA-MRXNPFEDSA-N	292.379	1.028	10	20	CDCD	
COc1ccc(O)c([C@H](C)NCC2(CO)CCOCC2)c1	186149634	BRNNXKCKURAFOY-LBPRGKRZSA-N	295.379	1.841	10	20	CDCD	
Cc1cc(O)c(CN(C)CC(=O)N2CCOCC2)cc1C	78639340	JQZSSFKDDFNYNC-UHFFFAOYSA-N	292.379	1.300	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)Cc2ccn(C)n2)c1	184026426	YTDSWPCHAUPMPI-SNVBAGLBSA-N	289.335	1.554	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)C1(O)CCCCC1	182550631	GGTBXCNQFKKNOL-UHFFFAOYSA-N	265.309	1.409	10	20	CDCD	
COC[C@H](C)CNC(=O)NCc1ccc(N(C)C)c(F)c1	195200924	LTDROKYQSYSJDJ-LLVKDONJSA-N	297.374	1.973	10	20	CDCD	
CC(C)S(=O)(=O)CCNCc1c(O)cccc1Cl	290107856	HZFCTLVTRCOXGX-UHFFFAOYSA-N	291.800	1.958	10	20	CDCD	
C[C@H](NC(=O)C(C)(C)C)C(=O)NCCc1ccc(N)cc1	237535866	ACRYBAYXLOFKNN-NSHDSACASA-N	291.395	1.478	10	20	CDCD	
CC[C@H](NC[C@@H]1COCCN1)c1ccccc1O	530227802	VWEMXEUIVAHANG-YPMHNXCESA-N	250.342	1.421	10	20	CDCD	
COc1ccc(N(C)CC2OCCO2)c(OC)c1	272246542	KJTZGWJJAALOBG-UHFFFAOYSA-N	253.298	1.513	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H]2CCSC2)c(O)c1O	272705840	CEVPOKSXGKAMRJ-MRVPVSSYSA-N	253.323	1.642	10	20	CDCD	
Cc1ccc(O)c(CN2CC[C@H](n3cncn3)C2)c1	377275582	AKQRPADTWJMQMQ-ZDUSSCGKSA-N	258.325	1.739	10	20	CDCD	
C[C@@H](O)c1cn(C2CN(Cc3ccccc3O)C2)nn1	378533192	NHCCKUOUUIDWBL-SNVBAGLBSA-N	274.324	1.094	10	20	CDCD	
COC(=O)c1cnc(S[C@H]2CCN(C)C2=O)s1	294917320	CATCIXPHJUECNX-LURJTMIESA-N	272.351	1.253	10	20	CDCD	
Cc1nn(C)c(C)c1C(=O)C(=O)NCc1ccccc1O	299553665	LVZRKBQYMLXZMJ-UHFFFAOYSA-N	287.319	1.242	10	20	CDCD	
C[C@@H]1COCC[C@@H]1NC[C@H](N)c1ccc(N(C)C)cc1	817942915	RNHBAPVSRHZDKD-KCXAZCMYSA-N	277.412	1.767	10	20	CDCD	
Cc1ccc(C(=O)NC[C@H]2CCN(C)C(=O)C2)c(O)c1O	819623122	ZYDFTWJOFOQTII-JTQLQIEISA-N	292.335	1.004	10	20	CDCD	
CNC(=S)NC[C@H]1CCN(c2ccc(OC)cc2)C1	819020019	GFIAWLQXAFZRAU-LLVKDONJSA-N	279.409	1.615	10	20	CDCD	
C[C@H](CN)CN[C@H](C)c1ccc(N2CCOCC2)c(F)c1	817962441	MHYMKMWVTWFNDD-CHWSQXEVSA-N	295.402	1.908	10	20	CDCD	
O=C(CCc1cncs1)NCCc1ccc(O)c(O)c1	815834042	PMOHACZSUHAHEQ-UHFFFAOYSA-N	292.360	1.846	10	20	CDCD	
C[C@@H](NC[C@@H]1CNCCO1)c1cc(F)cc(F)c1O	817983983	SZBYCHICCTXCLG-SCZZXKLOSA-N	272.295	1.309	10	20	CDCD	
OCC[C@]1(NCc2cc(Cl)c(F)cc2O)CCOC1	816593164	HBXVXVGLCJCTOX-ZDUSSCGKSA-N	289.734	1.816	10	20	CDCD	
CCN(CC)C[C@@H](C)NC(=O)NCc1ccccc1O	726243575	ASDSPYYMRJRSRW-GFCCVEGCSA-N	279.384	1.922	10	20	CDCD	
CNC(=O)c1ccc(CNC(=O)c2cc(O)cs2)cc1	731868569	JTVMGQXKGRNOKK-UHFFFAOYSA-N	290.344	1.743	10	20	CDCD	
CC[C@H](N)C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1	831748966	UBMGSBVINUZHNE-DOMZBBRYSA-N	291.395	1.375	10	20	CDCD	
CCc1nnc(C(=O)NCc2cccc(OC)c2O)s1	901128626	ZGHMWKDZEKFFIR-UHFFFAOYSA-N	293.348	1.745	10	20	CDCD	
CN(C)C(=O)[C@@H]1CCN(Cc2ccc(N(C)C)cc2)C1	839636672	TZNSCCVKUTWYLY-CQSZACIVSA-N	275.396	1.663	10	20	CDCD	
CN(c1ccc(/C=C/C(=O)O)cc1[N+](=O)[O-])C1CC(O)C1	844212587	JIBVZCLFBMXKPT-HWKANZROSA-N	292.291	1.652	10	20	CDCD	
CN(C)c1ccc([C@@H](N)CNC(=O)CC(C)(C)CN)cc1	911666102	HHKSUBGHMHCJEE-AWEZNQCLSA-N	292.427	1.244	10	20	CDCD	
CC[C@@H](NC[C@@H]1CNC(=O)C1)c1ccc(N(C)C)cc1	840833160	LPTOZEOQWXCXIE-IUODEOHRSA-N	275.396	1.929	10	20	CDCD	
Cc1cccc(CN2CC[C@H](N3CCNCC3)C2)c1O	843122128	KYZYVPBVAOYNLB-HNNXBMFYSA-N	275.396	1.180	10	20	CDCD	
CCN1C(=O)C(C)(C)N[C@@H]1c1ccc(OC)cc1O	840832307	BFXGRKXFUMVSDX-LBPRGKRZSA-N	264.325	1.630	10	20	CDCD	
COC(=O)c1cc(CNCCc2ccc(N)cc2)c[nH]1	841035203	LJTCFMABZFHPHA-UHFFFAOYSA-N	273.336	1.716	10	20	CDCD	
C[C@H]1CCN(C(=O)NCCc2ccc(N)cc2)C[C@@H]1CO	857103190	DMIFYKDEWASYGU-GXTWGEPZSA-N	291.395	1.471	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)c2ncnn2C)c1	853801643	FVGQFNBDVIKLAB-QMMMGPOBSA-N	276.296	1.020	10	20	CDCD	
O=C(NCc1ccccc1O)N[C@@H]1CCc2n[nH]cc2C1	765846233	WLHCQJJRQKRFHG-GFCCVEGCSA-N	286.335	1.472	10	20	CDCD	
CO[C@@H]1COC[C@@H]1NC(=O)N[C@H](C)c1ccccc1O	868697520	IMLUAFILBGSARC-SUZMYJTESA-N	280.324	1.166	10	20	CDCD	
CN1CCCC[C@H](C(=O)NCCc2ccc(N)cc2)C1=O	876528515	RVNBFNWIIFBJQA-CQSZACIVSA-N	289.379	1.186	10	20	CDCD	
C[C@@H]1CO[C@@H](CO)CN1Cc1ccc(N(C)C)c(F)c1	770352541	OWVVWOCOQJAGHR-DGCLKSJQSA-N	282.359	1.473	10	20	CDCD	
OC1CCN(c2ccc(CNC[C@H]3C[C@@H](O)C3)cc2)CC1	877658540	ZYKYFFZJQRXEHG-KDYLLFBJSA-N	290.407	1.508	10	20	CDCD	
CCN(C(=O)C(=O)NCc1ccc(N(C)C)cc1)C1CC1	1116975637	ARMKECFYEGPJMB-UHFFFAOYSA-N	289.379	1.380	10	20	CDCD	
C[C@@H](NC(=O)CCS(C)(=O)=O)c1ccc(N(C)C)cc1	776270133	QRIGVSPJWXUCPN-LLVKDONJSA-N	298.408	1.365	10	20	CDCD	
CO[C@@H]1CCCN(C(=O)NCc2ccc(N)cc2)CC1	1120677129	KPNWXTXNVIRFMS-CQSZACIVSA-N	277.368	1.979	10	20	CDCD	
C[C@@H](CC(=O)NCc1ccc(N)cc1)C1CCNCC1	1122538736	HIJYAXJECZNUKM-LBPRGKRZSA-N	275.396	1.911	10	20	CDCD	
C[C@@H](NC(=O)C(=O)NC1CCC1)c1ccc(N(C)C)cc1	788463641	SHQJOXDSJZJRMU-LLVKDONJSA-N	289.379	1.599	10	20	CDCD	
CCOc1ccc(CN2C[C@H](C)O[C@H](CO)C2)c(O)c1	787418501	WRTLIJABINALSZ-FZMZJTMJSA-N	281.352	1.373	10	20	CDCD	
O=C(O)CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@@H]1F	1123286608	YXSYZFIVSGRYMA-ZJUUUORDSA-N	267.256	1.163	10	20	CDCD	
COCCO[C@@H]1CCN(C(=O)c2cc(O)cs2)C1	782057541	CMVZMOVHQXTYCG-SNVBAGLBSA-N	271.338	1.331	10	20	CDCD	
CC[C@H]1CN(Cc2cc(C)cc(OC)c2O)C[C@H]1O	894094706	LTXMJYVAZAOOJZ-WCQYABFASA-N	265.353	1.912	10	20	CDCD	
Cn1nccc1[C@@H]1CN(Cc2cc(F)ccc2O)CCO1	897562906	HWMQYAPMJUMZRZ-HNNXBMFYSA-N	291.326	1.838	10	20	CDCD	
Cn1ccsc1=NC(=O)c1c(F)ccc(O)c1O	789966806	KKKSSPCPBNUBNY-UHFFFAOYSA-N	268.269	1.378	10	20	CDCD	
CCN(CC(=O)OC)Cc1ccc(OC)c(OC)c1O	891924236	VEXVTDVITGRLJA-UHFFFAOYSA-N	283.324	1.404	10	20	CDCD	
C/C=C\C[C@@H](CO)NCc1ccc(OC)c(OC)c1O	893661836	SDFQUAKSKSBWSF-RXNFCKPNSA-N	281.352	1.826	10	20	CDCD	
O=C(N[C@H](CO)c1cccc(F)c1)c1cccc(O)c1O	790916973	OWAXMBZPDZDDGL-GFCCVEGCSA-N	291.278	1.700	10	20	CDCD	
CC[C@H](C(=O)NCCc1ccc(O)c(O)c1)[C@@H](C)O	790075167	IHNVFARKWOYRPH-KOLCDFICSA-N	267.325	1.164	10	20	CDCD	
C[C@@H](NCc1ccc(N(C)C)cc1)c1ncn(C)n1	275383922	ABKKUGAJPOKHIE-LLVKDONJSA-N	259.357	1.732	10	20	CDCD	
CCNC(=O)CN(CC)Cc1cccc(CC)c1O	692085119	FZTCSFKKCYEATO-UHFFFAOYSA-N	264.369	1.913	10	20	CDCD	
C[C@@H]1O[C@H](C)[C@H](C(=O)NCCc2ccc(N)cc2)[C@@H]1C	87206643	YDWFUBWPZIDPOS-NWJSVONSSA-N	276.380	1.987	10	20	CDCD	
CN(C)c1ccc(CN[C@@]2(C(=O)O)CCOC2)cc1	789902899	SEIXPKJAFQETIN-AWEZNQCLSA-N	264.325	1.086	10	20	CDCD	
C[C@H]1C[C@H](C)N(C(=O)C(=O)NCCc2ccc(N)cc2)C1	1325381852	ZQGQTDOIJHYISV-RYUDHWBXSA-N	289.379	1.184	10	20	CDCD	
O=C(O)CN1CCC(NCc2cccc(Cl)c2O)CC1	1329774043	JUUQKIYTDFRNHW-UHFFFAOYSA-N	298.770	1.684	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@H]1COC(=O)C1	1342892515	HPBIOOXZBXLBGL-MWLCHTKSSA-N	293.319	1.098	10	20	CDCD	
CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@H]1C[C@H]1F	1347045321	ZMLBILYENJBKEC-NWDGAFQWSA-N	295.310	1.642	10	20	CDCD	
C[C@@H]1C[C@H](C(=O)NCc2ccc(N(C)C)c(F)c2)CCN1	1340837907	CYTDBLYPDDKZNG-DGCLKSJQSA-N	293.386	1.896	10	20	CDCD	
COc1ccc(CNCc2cccnc2O)c(O)c1OC	1343226695	XJOPCBQYIFGQFS-UHFFFAOYSA-N	290.319	1.800	10	20	CDCD	
CSCC[C@H](N)CC(=O)NCc1ccc(N)cc1	1342700570	SZHNGWICWYPWPJ-LBPRGKRZSA-N	267.398	1.356	10	20	CDCD	
CON(C)C(=O)[C@@H](C)NCc1ccc(N2CCCC2)cc1	1348111444	WKPGWUCSEBWKLC-CYBMUJFWSA-N	291.395	1.785	10	20	CDCD	
Cc1cc(O)c(CNC[C@@]2(C(=O)O)CCOC2)cc1Cl	1600285800	GZKFUDZVGFJLIM-AWEZNQCLSA-N	299.754	1.935	10	20	CDCD	
Cc1ccc(CN2C[C@H](C)O[C@H](C(=O)O)C2)c(O)c1	1600416045	OTIVKEZYUZHTQP-GWCFXTLKSA-N	265.309	1.375	10	20	CDCD	
Oc1cccc(Br)c1CN[C@@H]1[C@@H]2C[C@@H]1CN2	1580888697	WAOQXFWQHZSSCT-VHRDEZTHSA-N	283.169	1.605	10	20	CDCD	
CC[C@H](OC(=O)c1ccc(C)c(O)c1O)C(=O)O	1589578322	LKIAQFCUOMVODU-QMMMGPOBSA-N	254.238	1.426	10	20	CDCD	
COc1cc(C)c(CN2CC[C@@](F)(C(=O)O)C2)c(O)c1	1599391331	REIVTCHFKWIDML-AWEZNQCLSA-N	283.299	1.708	10	20	CDCD	
COc1ccc(O)c(CN[C@H](C)[C@@H]2C[C@H]2C(=O)O)c1	1599598991	YQDKYGYXTATHHQ-JFUSQASVSA-N	265.309	1.600	10	20	CDCD	
C[C@H](NCCn1cc(C(=O)O)nn1)c1ccc(F)cc1O	1593286219	QAXFZSNYHAQTBQ-QMMMGPOBSA-N	294.286	1.172	10	20	CDCD	
CCn1cc(S(=O)(=O)N(C)Cc2ccccc2O)cn1	159643608	FSSMJDOOVCTAFT-UHFFFAOYSA-N	295.364	1.429	10	20	CDCD	
COc1ccc(N(C)C[C@@H]2CCNC2)c(OC)c1	258785276	BOVWVZYRPBLPON-LLVKDONJSA-N	250.342	1.750	10	20	CDCD	
O=C(NCc1ccccc1O)c1cn(C2CC2)nn1	860235006	VUFYUOVKBCMRDH-UHFFFAOYSA-N	258.281	1.249	10	20	CDCD	
C[C@@H]1CCN[C@H](C(=O)NCc2ccc(N(C)C)cc2)C1	126919561	QASAFGSDUBTUJW-DOMZBBRYSA-N	275.396	1.757	10	20	CDCD	
CS[C@H](CO)[C@H](C)NCc1c(C)cccc1O	877049974	WMLSAADOCAYHRS-GXFFZTMASA-N	255.383	1.903	10	20	CDCD	
CN(C)CC1(NC(=O)c2cccc(O)c2O)CCC1	281647970	HXRSYVCEFPSGIV-UHFFFAOYSA-N	264.325	1.312	10	20	CDCD	
C[C@H]1CN(C(=O)Cc2ccc(N)cc2)CC[C@H]1C(=O)O	312375686	QJIXBHWJZYAFGK-GXFFZTMASA-N	276.336	1.381	10	20	CDCD	
CC(=O)N[C@@H]1CCN(Cc2cc(F)cc(F)c2O)C1	708398578	HOANMBFHSYVYKA-LLVKDONJSA-N	270.279	1.381	10	20	CDCD	
C[C@@H](C[C@@H]1CCC(=O)N1)NCc1ccc(N(C)C)cc1	381136423	IXXVXEPVPGCCTM-JSGCOSHPSA-N	275.396	1.899	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)CN(C)C(C)C)c1	103529297	NRHYRDYAQWMEMS-LLVKDONJSA-N	280.368	1.918	10	20	CDCD	
C[C@H](CO)SCC(=O)NCc1ccc(N(C)C)cc1	172981591	XWGDFHVMQOUTOG-LLVKDONJSA-N	282.409	1.483	10	20	CDCD	
C[C@@H]1CC[C@H](NC(=O)C(=O)NCCc2ccc(N)cc2)C1	1349804453	ZDSRAZDZVDSDKN-RISCZKNCSA-N	289.379	1.232	10	20	CDCD	
O=C(O)c1ccc(S(=O)(=O)Nc2ccc(O)cc2)s1	38058881	ISVBTOUTHSKSKF-UHFFFAOYSA-N	299.329	1.953	10	20	CDCD	
COc1cc(N2CC(O)(C(C)C)C2)c([N+](=O)[O-])cc1OC	213713082	XPJBKRKUYPZKJU-UHFFFAOYSA-N	296.323	1.819	10	20	CDCD	
C[C@@H]1CN(CC(C)(C)O)CCN1Cc1cc(F)ccc1O	188746396	OOQIUTCLPQXJMF-GFCCVEGCSA-N	296.386	1.808	10	20	CDCD	
CN(C)c1ccc(CN[C@H](C(N)=O)C(C)(C)C)cc1	188521605	KCXKRXAUQCQBSA-CYBMUJFWSA-N	263.385	1.742	10	20	CDCD	
C[C@@H]1C[C@@H](NC(=O)c2cccc(O)c2O)CN1C1CC1	185819901	AWOWDZAFPOIYCB-NXEZZACHSA-N	276.336	1.453	10	20	CDCD	
COC[C@@H](CCO)NCc1cccc(Cl)c1O	224846478	FVAAOYQBTFNSFF-SNVBAGLBSA-N	259.733	1.533	10	20	CDCD	
COc1ccc(N(C)CC(=O)N2CCCC2)c(OC)c1	131834997	DXXAYUDDVHMMJY-UHFFFAOYSA-N	278.352	1.762	10	20	CDCD	
CCOc1cccc(CN(CCO)CC(F)F)c1O	193023033	NQBXXBSGJPUGFT-UHFFFAOYSA-N	275.295	1.850	10	20	CDCD	
CNC(=O)[C@H]1CCCN1Cc1ccc(N(C)C)cc1	92096414	DNBHLMKNHNCJEZ-CQSZACIVSA-N	261.369	1.463	10	20	CDCD	
CCNC(=O)N1CCN(Cc2cccc(C)c2O)CC1	179620943	OSTVQCIBOTVBMT-UHFFFAOYSA-N	277.368	1.548	10	20	CDCD	
C[C@H](N[C@H](CO)c1cnn(C)c1)c1ccc(N(C)C)cc1	90885057	OIXYNOPLEQCYEQ-BLLLJJGKSA-N	288.395	1.870	10	20	CDCD	
COCCOCCN[C@H](C)c1cc(F)ccc1O	94617988	VMQNCSHZGYNASJ-SNVBAGLBSA-N	257.305	1.845	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@H]2C[C@H]3CC[C@H]2O3)cc1	265121827	YYEWSUQEVYTBPX-RBSFLKMASA-N	274.364	1.936	10	20	CDCD	
Cc1ccc([C@@H](C)N[C@@H](CO)c2cnn(C)c2)c(O)c1	273490430	OCMBNWPAKVOWNH-RISCZKNCSA-N	275.352	1.818	10	20	CDCD	
COc1ccc(O)c(CN[C@H]2CCO[C@]3(CCOC3)C2)c1	378452024	FYQFHEABFRCLSC-XJKSGUPXSA-N	293.363	1.829	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)C[C@@H]1CCCC(=O)N1	289036029	AHKWDJPZPHMARW-LBPRGKRZSA-N	276.336	1.409	10	20	CDCD	
COc1cccc(CNC(=O)NCC2=CCCOC2)c1O	288105947	WZKLMVRPRAPWCL-UHFFFAOYSA-N	292.335	1.547	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2cc3n(n2)CCO3)cc1	289409498	UQSDSEUVSBKHQT-UHFFFAOYSA-N	286.335	1.272	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CC[C@H](n2cccn2)C1	291145729	IBQWFXQJPKUNNP-JTQLQIEISA-N	273.292	1.382	10	20	CDCD	
COC(=O)N1CCC(CNC(=O)c2cc(O)cs2)CC1	807724180	ZTVGOYIRPWZWJP-UHFFFAOYSA-N	298.364	1.662	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNC[C@H](CO)C(C)C)c1O	809723514	JHRMCLGYAVZIAX-LLVKDONJSA-N	298.339	1.663	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)NC[C@H]2CCCNC2)c1	817946012	PXYFITNLIQCGTC-RYUDHWBXSA-N	292.379	1.829	10	20	CDCD	
Cc1ccc([C@H](C)NCCCN2CCNCC2)c(O)c1C	817937516	XFKXXCBJLRXVRG-HNNXBMFYSA-N	291.439	1.955	10	20	CDCD	
COc1ccc(CNC(=O)N[C@@H]2CO[C@H](C)C2)c(O)c1	827617973	MOPNLSPKIQJKSG-KOLCDFICSA-N	280.324	1.377	10	20	CDCD	
Cc1nnc(CC(=O)N[C@H](C)c2ccccc2O)s1	827952302	NAYKABBKUQBVRG-MRVPVSSYSA-N	277.349	1.972	10	20	CDCD	
O=C(NCCCSc1nccs1)[C@H]1C[C@H]1C(=O)O	739546417	DZJONEZUKIJQFT-JGVFFNPUSA-N	286.378	1.462	10	20	CDCD	
CCC[C@@H](OC)C(=O)NCc1ccc(OC)cc1O	831032937	MRBLPMIQPBHWJX-CYBMUJFWSA-N	267.325	1.832	10	20	CDCD	
CCOC(=O)[C@@H]1CCN(C(=O)c2c(F)ccc(O)c2O)C1	900703292	HCCJWAKVFJYIQS-MRVPVSSYSA-N	297.282	1.262	10	20	CDCD	
COc1cc(O)c(CN2CCC[C@H]2CC(=O)O)cc1OC	833728596	IEFZETNMQKKTKP-NSHDSACASA-N	295.335	1.849	10	20	CDCD	
COc1ccc(O)c(CNC(=O)CN2CCCCC2=O)c1	734017014	WWWYVKHUANURRK-UHFFFAOYSA-N	292.335	1.030	10	20	CDCD	
COc1cccc(CNC(=O)NCCCNC(C)C)c1O	841934149	PVOWIQUNEQZAFR-UHFFFAOYSA-N	295.383	1.588	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H]2CCN[C@@H](C)C2)c1O	841062296	IUCMPKHLNYWOGL-GXSJLCMTSA-N	295.339	1.539	10	20	CDCD	
COc1cccc([C@@H](C)NC[C@H]2CN(C)CCN2C)c1O	846146644	RTLRMCAUKUKLPZ-OLZOCXBDSA-N	293.411	1.297	10	20	CDCD	
CN(CC(=O)NCc1ccc(O)cc1O)C1CCC1	910945840	ZXEQSZZFHMKGBL-UHFFFAOYSA-N	264.325	1.198	10	20	CDCD	
CC(C)C[C@H](CN)NCc1ccc(N2CCOCC2)cc1	841038606	LSRZWEYKWCWTJU-MRXNPFEDSA-N	291.439	1.986	10	20	CDCD	
COc1cccc(CNC[C@@H]2CCCNC2)c1O	841032615	HXMLYPFLPSTFRI-LLVKDONJSA-N	250.342	1.490	10	20	CDCD	
COc1cccc(CNCC[C@@]2(O)CCCOC2)c1O	846108008	ARQOWXPPACAEFK-HNNXBMFYSA-N	281.352	1.422	10	20	CDCD	
Nc1ccc(CCNC(=O)[C@@H](O)C2CCCCC2)cc1	843343557	ZFPGGOXNIFZLLS-HNNXBMFYSA-N	276.380	1.869	10	20	CDCD	
Cc1cc(O)c(CN2CC[C@H](O)[C@@H](CO)C2)cc1C	840974878	JAGLFJHEMQUCME-KGLIPLIRSA-N	265.353	1.184	10	20	CDCD	
COC/C(C)=C\C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	845929353	BDCJQIISIDMRTA-YAEJEKNGSA-N	279.336	1.738	10	20	CDCD	
C[C@H](NC(=O)NCCN)c1ccc(N(C)C)cc1	841883015	QSLVVHJAIJUCTF-JTQLQIEISA-N	250.346	1.072	10	20	CDCD	
CCONC(=O)CNCc1ccc(N2CCCCC2)cc1	846091819	WRDQHXYBRNGNQB-UHFFFAOYSA-N	291.395	1.834	10	20	CDCD	
Nc1ccc(CCNC(=O)N[C@@H](CCO)C2CC2)cc1	841954545	NPRIENGRCABGDJ-AWEZNQCLSA-N	277.368	1.272	10	20	CDCD	
CCn1nncc1C(=O)NCc1cc(Cl)ccc1O	846475371	CSXRRXOHDKHQCR-UHFFFAOYSA-N	280.715	1.587	10	20	CDCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C[C@H](O)[C@@H](C)O	929294347	CLIXTYOBBYLTTA-CJNGLKHVSA-N	280.412	1.705	10	20	CDCD	
O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)c1ccc(O)c(O)c1	759223041	IJLZJGKFNUKQNH-UHFFFAOYSA-N	290.231	1.051	10	20	CDCD	
CN1CC[C@@H](NCc2cc(F)c(N(C)C)cc2F)C1	858127586	JLIMWTPYADIKBT-LLVKDONJSA-N	269.339	1.825	10	20	CDCD	
O=C(OCc1cn2cccnc2n1)c1cccc(O)c1O	758559752	GIGNPHNZGQGYOY-UHFFFAOYSA-N	285.259	1.498	10	20	CDCD	
CN(C)[C@H]1[C@@H]2CN(C(=O)c3cc(O)cs3)C[C@@H]21	861912126	KXPBCNVJUZTQFU-JZYVYDRUSA-N	252.339	1.086	10	20	CDCD	
Oc1c(CNCCN2CC[C@H](O)C2)ccc2ccccc12	862551035	JUAVXZIOVFGWFG-HNNXBMFYSA-N	286.375	1.702	10	20	CDCD	
CC(=O)N1CCCC[C@@H]1C(=O)NCc1cc(C)ccc1O	862758898	PSONJKVREFIVHI-CQSZACIVSA-N	290.363	1.718	10	20	CDCD	
Cc1ccc(C(=O)N(C)CC2(C)COC2)c(O)c1O	862762605	MEWQVAOXBWGYHT-UHFFFAOYSA-N	265.309	1.515	10	20	CDCD	
Cc1nonc1CNC(=O)N(C)Cc1ccccc1O	876439208	GAMZYEKEZYFOKF-UHFFFAOYSA-N	276.296	1.425	10	20	CDCD	
O=C1OCC[C@@H]1NCc1ccc(N2CCCC2)cc1	1119974674	HVGJLWMQPPGHND-AWEZNQCLSA-N	260.337	1.692	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NCc2ccn(C)c(=O)c2)c1	775376079	RWAIEABKCRJVDF-LLVKDONJSA-N	288.347	1.950	10	20	CDCD	
COCC1=CCN(Cc2cc3c(cc2O)OC[C@H]3O)CC1	774647471	SCJVSPOWBVYGNW-OAHLLOKOSA-N	291.347	1.597	10	20	CDCD	
CO[C@@H](C)CNCc1ccc(N2CCN(C)CC2)c(F)c1	1118423685	LZMXFJJZOILWOV-ZDUSSCGKSA-N	295.402	1.702	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1C(=O)[C@@H]2CCCN2C1=O	777655837	OPZFTSRREPRLON-AWEZNQCLSA-N	287.363	1.988	10	20	CDCD	
CC1=NO[C@](C)(C(=O)NCc2cccc(O)c2O)C1	1123977276	DLMRGPGUTVMJGZ-ZDUSSCGKSA-N	264.281	1.269	10	20	CDCD	
Oc1c(F)cc(Cl)cc1CN1C[C@@H]2CNC[C@H]2C1	775748380	XHRVWKVBXLHBIO-UWVGGRQHSA-N	270.735	1.836	10	20	CDCD	
O=C(C[C@H]1CCCO1)OCC(=O)c1ccc(O)c(O)c1	782917183	CHELITMGQQYDCR-SNVBAGLBSA-N	280.276	1.393	10	20	CDCD	
CCC1(CO)CCN(C(=O)NCc2ccc(N)cc2)CC1	1120592410	WNFFSQKSSASYMM-UHFFFAOYSA-N	291.395	1.963	10	20	CDCD	
COc1ccc(O)c(CN2C[C@@H](CN)C[C@@H]2C)c1	215995118	YYZWETPHPQILNP-WDEREUQCSA-N	250.342	1.570	10	20	CDCD	
COC(=O)N1CCC(CNCc2ccccc2O)CC1	796500545	OISHBEVHKQDNDM-UHFFFAOYSA-N	278.352	1.960	10	20	CDCD	
O=C(Nc1ccc(-n2cncn2)cn1)c1cccc(O)c1O	791282185	BNCSXULZULYSKB-UHFFFAOYSA-N	297.274	1.326	10	20	CDCD	
COCC[C@](C)(O)CNCc1c(O)cccc1OC	734847047	ZWQGJKWFUQBOJT-AWEZNQCLSA-N	269.341	1.278	10	20	CDCD	
CN(CCC(N)=O)Cc1c(O)cccc1Br	707129918	PPHSYFFHFCYKNT-UHFFFAOYSA-N	287.157	1.462	10	20	CDCD	
CC(=O)N1CC[C@@H](CN(C)C(=O)Cc2ccc(N)cc2)C1	1328204103	XUNXKMUHZQDNNS-AWEZNQCLSA-N	289.379	1.138	10	20	CDCD	
COc1ccc(CN[C@@H]2C[C@@H]3C[C@@H](C(=O)O)C[C@H]32)c(O)c1	1607260015	LXLNXFPPXSCFAD-OIMNJJJWSA-N	291.347	1.990	10	20	CDCD	
COC(=O)CCC(=O)CSc1ncc(C(=O)O)s1	1610184255	NQNUCEIJYZTSFB-UHFFFAOYSA-N	289.334	1.456	10	20	CDCD	
O=C(Cc1ccc(O)c(O)c1)N1CCC[C@@H]2C[C@@]21C(=O)O	1601360497	DKZYBTUVOUYRTF-BMIGLBTASA-N	291.303	1.106	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2cncc(O)c2)cc1	111775992	JCCUZNFEMJELNU-UHFFFAOYSA-N	271.320	1.783	10	20	CDCD	
COc1ccc(CN[C@@H]2CC[C@H]3C[C@H]2CN3)c(O)c1	1579216399	RTGLHFQYMZZNJZ-SGMGOOAPSA-N	262.353	1.631	10	20	CDCD	
C[C@H](N[C@@H](C)c1cccc(-c2nn[nH]n2)c1O)c1cn[nH]c1	1589954552	YXUALNDUNCWWQZ-IUCAKERBSA-N	299.338	1.707	10	20	CDCD	
OCC1(CNCc2c(O)cccc2Cl)COC1	123026650	ANKPTOKIKVBZFS-UHFFFAOYSA-N	257.717	1.144	10	20	CDCD	
CCc1cccc(CN[C@@H](C)CS(C)(=O)=O)c1O	691499955	LFWLBNITKHBQKH-JTQLQIEISA-N	271.382	1.477	10	20	CDCD	
OC[C@@H](C[C@H]1CCCO1)NCc1cc(F)cc(F)c1O	886220954	QCWADAKMIZPKEK-VXGBXAGGSA-N	287.306	1.690	10	20	CDCD	
COc1cccc(O)c1CN(CC(=O)O)C1CC1	1599680489	TZFXDTUVPMRRDF-UHFFFAOYSA-N	251.282	1.450	10	20	CDCD	
C[C@@H](NC(=O)[C@@H]1CCCS(=O)(=O)C1)c1ccccc1O	827946527	KYMUALZSCRCRQD-GHMZBOCLSA-N	297.376	1.394	10	20	CDCD	
CCOC(=O)[C@@H]1C[C@H]1C(=O)N[C@H](C)c1ccccc1O	828538932	FFVRPZCSXLXSDR-YUSALJHKSA-N	277.320	1.769	10	20	CDCD	
CCOCC(=O)N1CCOc2cc(N(C)C)ccc21	173203264	AGQZHFUDDNSMMJ-UHFFFAOYSA-N	264.325	1.515	10	20	CDCD	
O=C1CCCN1C1CCN(Cc2ccccc2O)CC1	179570367	ZCXFZEOJZXAAOM-UHFFFAOYSA-N	274.364	1.979	10	20	CDCD	
O=C(CCc1ccoc1)NCCc1ccc(O)c(O)c1	122663780	IEGQNFGQTGAKLW-UHFFFAOYSA-N	275.304	1.982	10	20	CDCD	
CC[C@](C)(OC)C(=O)NCCc1ccc(O)c(O)c1	280504587	PQAJXMPBUXQIFX-AWEZNQCLSA-N	267.325	1.572	10	20	CDCD	
Cc1ccc(O)c(CNC[C@@]2(O)CCO[C@@H]2C)c1	227965270	JYZSUHVGTPFEIC-RISCZKNCSA-N	251.326	1.330	10	20	CDCD	
C[C@H](NC[C@H]1CCN(S(C)(=O)=O)C1)c1ccccc1O	183628455	OFLQCWSQNIABOP-NWDGAFQWSA-N	298.408	1.324	10	20	CDCD	
COC(=O)NC(C)(C)C(=O)Nc1ccc(N)cc1	237265661	OIAYZBXGAZGFNL-UHFFFAOYSA-N	251.286	1.342	10	20	CDCD	
Cc1noc(CCCC(=O)NCCc2ccc(N)cc2)n1	237633708	YZYCPOQVUIACOF-UHFFFAOYSA-N	288.351	1.642	10	20	CDCD	
CC[C@@H](O)CCNC(=O)NCc1ccc(N(C)C)c(F)c1	268809320	GBEKTPQAVZZANH-GFCCVEGCSA-N	297.374	1.852	10	20	CDCD	
CC[C@@H]1NC(=O)N(Cc2ccc(N(C)C)cc2)C1=O	272010914	BTBIDMQXKAFHBV-LBPRGKRZSA-N	261.325	1.583	10	20	CDCD	
C[C@@H](NC[C@H](O)c1cnn(C)c1)c1ccc(F)c(F)c1O	276966055	SRQOKLUIPXGMJJ-PELKAZGASA-N	297.305	1.788	10	20	CDCD	
Cc1cc(N[C@H](C)Cc2ccc(O)c(O)c2)n2ncnc2n1	273159390	ZDIBCYOHKKSHML-SECBINFHSA-N	299.334	1.887	10	20	CDCD	
Cc1ncncc1C(=O)NCc1ccc(N(C)C)cc1	298665845	RZUDCELMCFWLMM-UHFFFAOYSA-N	270.336	1.781	10	20	CDCD	
Cc1cc(C)c([C@@H](C)N[C@H]2CC(=O)N(C)C2)c(O)c1	293754880	OLUCFPSKDUFODE-NEPJUHHUSA-N	262.353	1.890	10	20	CDCD	
CC[C@@H](N[C@@H](C)C(=O)NC)c1ccc(N(C)C)cc1	291998361	XJXGGFXXGQFKOG-SMDDNHRTSA-N	263.385	1.928	10	20	CDCD	
COc1cccc(OC)c1C(=O)OCC(=O)C(C)=O	808488421	GWRGDWYUWUCEJR-UHFFFAOYSA-N	266.249	1.019	10	20	CDCD	
COc1cc(O)c(CNCc2nonc2C)cc1OC	809745112	NKTFSZVXTZVBQT-UHFFFAOYSA-N	279.296	1.391	10	20	CDCD	
CC(C)C[C@@H](CNC(=O)NCc1ccccc1O)C(=O)O	818624787	UWKPTPWNKDZQSM-LBPRGKRZSA-N	294.351	1.938	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC[C@H]2CCCN2)c1	817951212	BRHAIEXKJJUAMF-GHMZBOCLSA-N	250.342	1.803	10	20	CDCD	
C[C@@H]1CN(Cc2cc(Cl)c(F)cc2O)C[C@@H](CO)O1	816587923	AKYVTESQLDIVRO-SCZZXKLOSA-N	289.734	1.766	10	20	CDCD	
CCOC[C@@H](O)CNCc1ccc(N2CC=CC2)cc1	819097162	YJMAYGOJNFBCPG-INIZCTEOSA-N	276.380	1.550	10	20	CDCD	
CNC(=O)[C@H]1CN(Cc2cc(Cl)c(C)cc2O)CCO1	825479434	NYTPTNIMLKYILT-CYBMUJFWSA-N	298.770	1.301	10	20	CDCD	
C[C@@H](NC(=O)CCc1cncn1C)c1ccccc1O	827946713	PXZPKHCHGXZLMT-LLVKDONJSA-N	273.336	1.936	10	20	CDCD	
C[C@@H](NC(=O)CCN1CCOC1=O)c1ccccc1O	827930756	PZWLLTRQUHZVKC-SNVBAGLBSA-N	278.308	1.412	10	20	CDCD	
CC(C)c1nccn1CC(=O)NCc1ccc(O)c(O)c1	821070852	OWMKPVIKDDMRNV-UHFFFAOYSA-N	289.335	1.734	10	20	CDCD	
OC[C@H](NCc1ccc(N2CCOCC2)c(F)c1)C1CC1	734160497	CQZSXSNDUIQCIT-HNNXBMFYSA-N	294.370	1.523	10	20	CDCD	
C[C@@H](NCCCON)c1ccc(N2CCOCC2)c(F)c1	902418325	DLZCIHHIUXSNBV-GFCCVEGCSA-N	297.374	1.593	10	20	CDCD	
O=C(O)Cn1cc(CCSc2nccs2)nn1	833273305	IEKPTJUJVIGECW-UHFFFAOYSA-N	270.339	1.154	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)CCCC(=O)O)c1	843328540	IKVAZOQAQRRZNL-VIFPVBQESA-N	281.308	1.833	10	20	CDCD	
O=C1CC[C@H](C(=O)NCc2cc(Cl)ccc2O)CN1	846473117	OZYUYLOHXFSURH-QMMMGPOBSA-N	282.727	1.188	10	20	CDCD	
CCn1nncc1CNCc1ccc2c(c1)CCCN2C	841859355	LDNPVYHOPKAVFP-UHFFFAOYSA-N	285.395	1.970	10	20	CDCD	
Nc1ccc(Cc2noc(CNC(=O)C3CC3)n2)cc1	843158973	JQMYBFCNRZYTJL-UHFFFAOYSA-N	272.308	1.269	10	20	CDCD	
C[C@@H]1C[C@@H](NCc2nncn2C)c2c(O)ccc(F)c21	756403337	XZYVRLDTXHZZJC-PSASIEDQSA-N	276.315	1.998	10	20	CDCD	
CNC[C@@H](C)NCc1ccc(N2CCOCC2)c(F)c1	853249028	BGNPIXXMUVTFGT-GFCCVEGCSA-N	281.375	1.360	10	20	CDCD	
C[C@@H](NCc1cc[nH]n1)c1cc([N+](=O)[O-])ccc1O	756555318	SCBRFVCQAZIAGV-MRVPVSSYSA-N	262.269	1.874	10	20	CDCD	
Cn1cncc1CCNCc1cc([N+](=O)[O-])ccc1O	857782850	GLNMRKKIZVEWPH-UHFFFAOYSA-N	276.296	1.366	10	20	CDCD	
Cc1ccc([C@@H](C)NCCN2CC[C@@H](O)C2)c(O)c1	858549689	ZBQVFSRYWWYXPX-CHWSQXEVSA-N	264.369	1.418	10	20	CDCD	
Oc1ccc(Cl)c(F)c1CN[C@@H]1CCOC[C@H]1O	858300397	HXGSWZIYDYLSEE-MWLCHTKSSA-N	275.707	1.424	10	20	CDCD	
COc1cccc(CNC(=O)/C=C\c2cnn(C)c2)c1O	769507408	KIZQTLHTSJIUTD-SREVYHEPSA-N	287.319	1.464	10	20	CDCD	
CC1(C)C[C@@H](NC(=O)c2cc(O)cs2)C(=O)O1	765149712	PSLVNDTXAQAMKI-SSDOTTSWSA-N	255.295	1.278	10	20	CDCD	
Cc1conc1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	867301587	BAHXQDXUIQOAPU-VIFPVBQESA-N	276.292	1.755	10	20	CDCD	
C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1cnn(C)c1	779483753	FZPSAWSDOQXVIW-RWCYGVJQSA-N	287.319	1.722	10	20	CDCD	
Cc1ccc(CN2CCN(C(C)C)C(=O)C2)c(O)c1	877184238	KUUCHHMEKRDROT-UHFFFAOYSA-N	262.353	1.753	10	20	CDCD	
Cc1ccc(CN[C@H](CO)[C@@H]2CCCOC2)c(O)c1	877590003	VOTVSQJREAWZMG-ZIAGYGMSSA-N	265.353	1.578	10	20	CDCD	
CCOc1ccc(CN[C@H](C)CC(N)=O)c(O)c1	776251238	RTVFHOASUSDSCP-SECBINFHSA-N	252.314	1.144	10	20	CDCD	
CCC[C@@]1(C)C(=O)NCCN1C(=O)Cc1ccc(N)cc1	877224375	IOBUPNXTQBVIAQ-INIZCTEOSA-N	289.379	1.329	10	20	CDCD	
Nc1ccc(CNC(=O)NCC2(O)CCCCC2)cc1	1120682533	ZQGXDKWBUKSONJ-UHFFFAOYSA-N	277.368	1.763	10	20	CDCD	
COc1ccc(N(C)C[C@@H](O)CSC)cc1OC	778071163	FQUQBJVLGSZGBU-LLVKDONJSA-N	271.382	1.864	10	20	CDCD	
Cc1noc([C@@H](C)N(C)C(=O)NCc2ccc(N)cc2)n1	1120584693	RQUSDKHEWMGNPL-SECBINFHSA-N	289.339	1.863	10	20	CDCD	
COc1ccc(CN[C@H](CO)C2CCOCC2)cc1C	782388506	FYSSDQBSDIUSMW-OAHLLOKOSA-N	279.380	1.881	10	20	CDCD	
CC(=O)N1CCC[C@H](CNC(=O)c2cc(O)cs2)C1	795571293	YQBDNZIFBGCIIR-SNVBAGLBSA-N	282.365	1.442	10	20	CDCD	
O=C(NCc1ccccc1O)[C@@H](O)c1ccccc1	706229415	BCAHGHACDUIJDP-AWEZNQCLSA-N	257.289	1.742	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@H]1CCCOC1	793796520	LFNGBWFREBHWMQ-WCQYABFASA-N	293.363	1.962	10	20	CDCD	
CNC[C@H](C)CNC(=O)NCc1ccc(N(C)C)c(F)c1	1328713535	LEGFOEBQMBNEGU-NSHDSACASA-N	296.390	1.546	10	20	CDCD	
CN1CCN(c2ccc(CNCCc3cn[nH]c3)cc2)CC1	1323936372	RKGYQBOSNOEZMW-UHFFFAOYSA-N	299.422	1.494	10	20	CDCD	
C[C@@H](NC(=O)NCc1ccc(N)cc1)[C@@H]1CCCNC1	1335535816	AGTQCIAFKZDNAF-DGCLKSJQSA-N	276.384	1.456	10	20	CDCD	
NC[C@@H]1CCCN(C(=O)NCc2ccc(N)cc2)C1	1336289872	BKFFWAAMWVZEQR-LBPRGKRZSA-N	262.357	1.149	10	20	CDCD	
Oc1cc2c(cc1CN1CCC[C@@H](CF)C1)[C@H](O)CO2	1331021323	JOUYLQPDQUXARO-IINYFYTJSA-N	281.327	2.000	10	20	CDCD	
CC[C@@H]1CN(C(=O)NCc2ccc(N)cc2)CC[C@@H]1N	1262603848	XCUCKBQIJGLVFR-OCCSQVGLSA-N	276.384	1.538	10	20	CDCD	
CCC1(C(=O)NCc2cccc(O)c2O)CCOCC1	1528770974	JEDZABLYYREMTA-UHFFFAOYSA-N	279.336	1.921	10	20	CDCD	
O=C(O)c1cnc(SC[C@H](O)C2(O)CCCC2)s1	1602536970	JAGISJIIKMXHDW-QMMMGPOBSA-N	289.378	1.599	10	20	CDCD	
O=C(NCc1cc(O)ccc1O)[C@H]1CC[C@@H](C(=O)O)C1	1608462708	KRMVXOYIOUMHFF-DTWKUNHWSA-N	279.292	1.215	10	20	CDCD	
Cc1oc(CNC(=O)c2cc(O)cs2)cc1C(=O)O	1608047736	BNZKECYLBPQNNF-UHFFFAOYSA-N	281.289	1.983	10	20	CDCD	
CCS(=O)(=O)NCCNCc1c(O)cccc1Cl	113329288	CFXOIPMNDFJGIH-UHFFFAOYSA-N	292.788	1.075	10	20	CDCD	
CO[C@H](C)CCN[C@H](C)c1cccc(-c2nn[nH]n2)c1O	1591322420	QNUGKYYCWOSAJH-NXEZZACHSA-N	291.355	1.648	10	20	CDCD	
c1cc2c(cc1CNC[C@H]1COCCO1)CCCO2	921562134	HSTRLBXSLJJVCV-AWEZNQCLSA-N	263.337	1.517	10	20	CDCD	
Nc1ccc(CN2CC(=O)N[C@H]3CCCC[C@H]32)cc1	1120263956	XUIUNFQIOURBDS-UONOGXRCSA-N	259.353	1.512	10	20	CDCD	
Cc1ccc(CN(CC(N)=O)CC(C)C)c(O)c1	876598344	NCEDENJVGNMZNW-UHFFFAOYSA-N	250.342	1.644	10	20	CDCD	
CCNC(=O)[C@H](C)N[C@H](CC)c1ccccc1O	36794785	SYKQWUHCGZPJKY-CMPLNLGQSA-N	250.342	1.958	10	20	CDCD	
Cc1ccc(O)c([C@H](C)NC[C@@H]2COCCO2)c1	38060813	XVFDLGQVYUCQPD-NWDGAFQWSA-N	251.326	1.767	10	20	CDCD	
Cc1n[nH]c(C(=O)NCCc2ccc(N)cc2)c1C	269144253	ACKCTODMTKIQLP-UHFFFAOYSA-N	258.325	1.581	10	20	CDCD	
OCC1(CNCc2cc3c(cc2O)OCO3)CCCC1	160086944	FUMXJLNMMHDHDW-UHFFFAOYSA-N	279.336	1.763	10	20	CDCD	
CC(=O)c1cc(Cl)cc(CN(C)[C@@H]2COC[C@H]2O)c1O	285709136	WGSNZPDCSFPTEK-CHWSQXEVSA-N	299.754	1.440	10	20	CDCD	
C[C@H]1OCCN(Cc2ccc(N(C)C)cc2)[C@@H]1C(=O)O	328142869	QWZFCHUBOWJYJJ-RISCZKNCSA-N	278.352	1.427	10	20	CDCD	
CS(=O)(=O)CCCNCc1cc(F)cc(F)c1O	708467321	YFJHSFWIGGYMBI-UHFFFAOYSA-N	279.308	1.195	10	20	CDCD	
OC/C=C/CNCc1ccc(N2CCOCC2)cc1	717479122	TYBRAIGXNHQJPR-OWOJBTEDSA-N	262.353	1.161	10	20	CDCD	
COCC[C@@H](CO)NCc1cc(Cl)ccc1O	305976479	ZYCJBVDTAAZOJJ-NSHDSACASA-N	259.733	1.533	10	20	CDCD	
Cc1cccc(CN2CCS(=O)(=O)C[C@H]2C)c1O	180313111	VPVJISVEJFIUIY-LLVKDONJSA-N	269.366	1.320	10	20	CDCD	
Cc1cc(C(=O)NCCc2ccc(O)c(O)c2)cc(O)n1	180708915	PBWGRPFBVKLBTC-UHFFFAOYSA-N	288.303	1.479	10	20	CDCD	
O=C(NCc1nccn1C(F)F)c1cccc(O)c1O	187036471	CLRZZYBUYCSOID-UHFFFAOYSA-N	283.234	1.619	10	20	CDCD	
COCC1=CCN(C(=O)c2ccc(C)c(O)c2O)CC1	185387630	RPRFKTBYLQELRQ-UHFFFAOYSA-N	277.320	1.825	10	20	CDCD	
CN(Cc1ccccc1O)c1ncnc2c1cnn2C	131406400	HYWJUQDBWQHQCE-UHFFFAOYSA-N	269.308	1.705	10	20	CDCD	
CS(=O)(=O)[C@@H]1CCN(Cc2cc(F)ccc2O)C1	282667123	HGGAJTSTFWFBSX-LLVKDONJSA-N	273.329	1.150	10	20	CDCD	
Cc1[nH]ncc1C(=O)NCCc1ccc(O)c(O)c1	179087398	UTZQQSCDNLGCIS-UHFFFAOYSA-N	261.281	1.102	10	20	CDCD	
CNC[C@@H](C)C(=O)NCc1ccc2c(c1)CCCN2C	237219627	RYIPWAGJJDWKTD-GFCCVEGCSA-N	275.396	1.541	10	20	CDCD	
Cc1ccc([C@H](C)NCC(=O)N2CCOCC2)c(O)c1C	273517863	SVLBJHHOFYCOSC-ZDUSSCGKSA-N	292.379	1.518	10	20	CDCD	
Cc1ccc(C(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)c(O)c1O	272770553	SBBXUZGCESPEIA-GWCFXTLKSA-N	290.363	1.619	10	20	CDCD	
Cc1ccc(C(=O)NN2CCCCC2=O)c(O)c1O	271338542	ZWMNRSFVJHGJNH-UHFFFAOYSA-N	264.281	1.064	10	20	CDCD	
Cc1cc(O)c(CN[C@]2(CCO)CCOC2)cc1C	278501806	OBZWALVBFPIURF-OAHLLOKOSA-N	265.353	1.640	10	20	CDCD	
CC(C)N(Cc1ccc(N(C)C)cc1)Cc1nc(=O)[nH][nH]1	271577523	BBMNAAKAERNCLV-UHFFFAOYSA-N	289.383	1.575	10	20	CDCD	
Cc1ccc(O)c(CN[C@@]2(CCO)CCOC2)c1	278484819	KFPFOAOHWIVRNM-AWEZNQCLSA-N	251.326	1.332	10	20	CDCD	
COC(=O)C(C)(C)NCc1ccc([N+](=O)[O-])c(OC)c1O	278547170	YPDOCILIIWHJKK-UHFFFAOYSA-N	298.295	1.350	10	20	CDCD	
CC(C)N(C)CCCNC(=O)/C=C/c1ccc(O)c(O)c1	272425007	KQCOYBNGDLGJTP-SOFGYWHQSA-N	292.379	1.958	10	20	CDCD	
C[C@@H](NCCC1(O)CCOCC1)c1ccccc1O	287728143	YGFULZLAVXMMPP-GFCCVEGCSA-N	265.353	1.974	10	20	CDCD	
COCC[C@H](CO)NCc1cccc(Cl)c1O	281179679	HQFFUIKREUPWOL-SNVBAGLBSA-N	259.733	1.533	10	20	CDCD	
CN(Cc1ccccc1O)c1nnc(-c2cnn(C)c2)n1C	290219409	OMLHVWKGWSPYOK-UHFFFAOYSA-N	298.350	1.558	10	20	CDCD	
CC(C)[C@H](O)C(=O)NCc1ccc2c(c1)CCCN2C	291570446	SSRXFVXTPSJCAF-HNNXBMFYSA-N	276.380	1.702	10	20	CDCD	
O=C(COC(F)F)OCC(=O)c1ccc(O)c(O)c1	803728520	BGDIPLJFVYXJMU-UHFFFAOYSA-N	276.191	1.063	10	20	CDCD	
C[C@@H](NCCN1CCC(O)CC1)c1ccc(N(C)C)cc1	296056983	VQAJCOQDCBAMIJ-CQSZACIVSA-N	291.439	1.860	10	20	CDCD	
CN(CCNC(=O)c1c(F)ccc(O)c1O)C1CC1	294820223	KIUNZTPLLCVYNS-UHFFFAOYSA-N	268.288	1.061	10	20	CDCD	
NC(=O)c1c[nH]ccc1=NCc1c(O)ccc2c1CCCC2	811808434	JEMJXKLJDLFQCZ-UHFFFAOYSA-N	297.358	1.799	10	20	CDCD	
CC(=O)NCCN(Cc1cccc(C)c1O)[C@H](C)C(=O)O	819781839	XXENKXXYRMXKTE-LLVKDONJSA-N	294.351	1.112	10	20	CDCD	
C[C@@H]1NCC[C@H]1C(=O)NCc1ccc(N(C)C)c(F)c1	827901511	OUYZXCBDIXKRIS-CMPLNLGQSA-N	279.359	1.506	10	20	CDCD	
O=C(O)CC[C@@H]1C[C@@H](C(=O)NCc2ccccc2O)CO1	901608576	JSHKIBGIAJJDSP-VXGBXAGGSA-N	293.319	1.278	10	20	CDCD	
COc1ccc(CNC(=O)[C@H]2NCC2(C)C)c(O)c1	832177619	CAMFCIYKZXSABT-GFCCVEGCSA-N	264.325	1.015	10	20	CDCD	
O=[N+]([O-])c1ccc(O)c(CN[C@H](CO)[C@H]2CCCOC2)c1	839651838	SCIOHXMNKYBBJV-GXFFZTMASA-N	296.323	1.178	10	20	CDCD	
CCOC(=O)[C@H](CC)C(=O)N(C)Cc1ccccc1O	839541902	JGEVFBTYFYRNES-GFCCVEGCSA-N	279.336	1.940	10	20	CDCD	
Oc1c(Br)cccc1CN[C@@H]1CCNC1	841045603	YLKGAONROCRVPQ-SECBINFHSA-N	271.158	1.606	10	20	CDCD	
CC[C@@H](CO)C(=O)N(C)CCN(C)c1ccc(OC)cc1	846442379	OVTYYYURIWADOL-ZDUSSCGKSA-N	294.395	1.608	10	20	CDCD	
CCS(=O)(=O)CCCNCc1ccc(OC)c(C)c1	840973896	XUXZYEWORCFRLY-UHFFFAOYSA-N	285.409	1.918	10	20	CDCD	
CCS(=O)(=O)CCNCc1ccc(N(C)C)cc1C	840932155	NWVKVSAAUQBKLX-UHFFFAOYSA-N	284.425	1.585	10	20	CDCD	
NC1(C(=O)NCc2c(O)ccc3c2CCCC3)CC1	843489931	NTMTVDVSPGYVHV-UHFFFAOYSA-N	260.337	1.379	10	20	CDCD	
CCN(CC)c1ccc(CN(C)S(=O)(=O)N(C)C)cc1	914577963	FJAWOVADWSKOJF-UHFFFAOYSA-N	299.440	1.771	10	20	CDCD	
N[C@@H]1CCN(Cc2ccc(N3CCOCC3)cc2)C1	843045453	RIMDHGRYTJVTHE-CQSZACIVSA-N	261.369	1.056	10	20	CDCD	
COc1ccc(CNC(=O)N[C@@H]2CC[C@@H](CN)C2)c(O)c1	842011324	SKEPBEAHXHEDIS-ZYHUDNBSSA-N	293.367	1.327	10	20	CDCD	
CCOCc1cc(CN[C@@H]2CCNC2)ccc1OC	841045553	XZLSPARTLFFLHU-CQSZACIVSA-N	264.369	1.683	10	20	CDCD	
COc1cccc([C@H](C)NC[C@]2(O)CCN(C)C2)c1O	846166670	ZLBIPFJYUNHNGO-XHDPSFHLSA-N	280.368	1.118	10	20	CDCD	
CC(C)(N)CNC(=O)NCc1ccc(N2CCCC2)cc1	841710517	XPIGPKPXRLCQME-UHFFFAOYSA-N	290.411	1.823	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)NC/C=C/CO)c1	850507450	GSIIEDCRKGWGMC-FSIBCCDJSA-N	265.309	1.378	10	20	CDCD	
C[C@H](N[C@H](C)[C@H]1CN(C)CCO1)c1cc(F)ccc1O	756758606	INGXQHLLDKCYRM-FIXISWKDSA-N	282.359	1.901	10	20	CDCD	
CS[C@H](C)CNC(=O)NCc1ccccc1O	752225313	PSMCBOXADXEVNW-SECBINFHSA-N	254.355	1.943	10	20	CDCD	
Nc1ccc(NC(=O)C(=O)N2C[C@H]3CC=CC[C@H]3C2)cc1	868300296	GSOIOTCMFDDEOK-TXEJJXNPSA-N	285.347	1.632	10	20	CDCD	
CCNC(=O)CCCC(=O)N(C)c1ccc(N)cc1	877078393	OFSZIYBJQKJKOI-UHFFFAOYSA-N	263.341	1.538	10	20	CDCD	
COC(=O)CSCCC(=O)NCc1cc(C)ccc1O	862758546	CNOUSGLKVYGCBC-UHFFFAOYSA-N	297.376	1.613	10	20	CDCD	
O=C(CN1CCCC1)NCCCSc1nccs1	874467086	WTRXRGYOMLOKGC-UHFFFAOYSA-N	285.438	1.837	10	20	CDCD	
COc1ccc(N(C)CC(=O)N=[S@](C)(=O)N(C)C)cc1	878800767	BHUKQHTYGPOQDL-FQEVSTJZSA-N	299.396	1.232	10	20	CDCD	
Cn1cc(/C=C/C(=O)N2CCc3ncccc32)cn1	770217337	MMRSWJZBUFRHJS-SNAWJCMRSA-N	254.293	1.418	10	20	CDCD	
Cc1cccc(O)c1CNCC1(C(N)=O)CCOCC1	876929622	KYLPGWGINMYMRH-UHFFFAOYSA-N	278.352	1.072	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C1(N(C)C)CCC1	773766663	CVMPLCYGMNMWIQ-NSHDSACASA-N	292.379	1.629	10	20	CDCD	
CO[C@@]1(C(=O)NCc2ccc(N(C)C)cc2)CCSC1	887767767	WNWPVBDCTHOFGU-HNNXBMFYSA-N	294.420	1.891	10	20	CDCD	
CCN(Cc1cc(F)cc(C(C)=O)c1O)[C@H]1CCNC1	886856083	FPRXIFFBBMJFCG-ZDUSSCGKSA-N	280.343	1.918	10	20	CDCD	
Cc1cc(NS(=O)(=O)c2ncc[nH]2)c(C)c(C)c1O	882714899	BFQIKBHQGXINIK-UHFFFAOYSA-N	281.337	1.841	10	20	CDCD	
COc1cc(C)cc(CN(C)Cc2nc[nH]n2)c1O	894035879	NNEBUGBHZMVMNW-UHFFFAOYSA-N	262.313	1.459	10	20	CDCD	
CC[C@H](C)OCC(=O)NCc1ccc(OC)cc1O	794378813	FVQIKBCAQDDNEC-JTQLQIEISA-N	267.325	1.832	10	20	CDCD	
COC(=O)c1cnc(NCc2ccc(N)cc2)nc1	1162784500	PHTZJFJSIIYWFX-UHFFFAOYSA-N	258.281	1.458	10	20	CDCD	
O=C(NC/C=C\C1CC1)c1c(F)ccc(O)c1O	1326514919	CFRVSDXESHXLBG-UPHRSURJSA-N	251.257	1.933	10	20	CDCD	
COc1cc(C)cc(CN(C)CC2(O)CCOCC2)c1O	1338262406	HCYVMIRYJRSVMV-UHFFFAOYSA-N	295.379	1.683	10	20	CDCD	
C[C@@H]1N(C(=O)NCc2ccc(N)cc2)CCOC1(C)C	1337070753	VJLZROQGKOGCDS-NSHDSACASA-N	277.368	1.978	10	20	CDCD	
CN(C)c1ccc([C@@H](N)CNC(=O)CCCC(=O)O)cc1	1333146481	WTDDRBYBDQGHOZ-ZDUSSCGKSA-N	293.367	1.124	10	20	CDCD	
Nc1ccc(CNC(=O)NCCCOCC2CC2)cc1	1346161719	DHRYNIFLTGVIIK-UHFFFAOYSA-N	277.368	1.885	10	20	CDCD	
Oc1cccc(Cl)c1CNCCO[C@H]1CCOC1	922938924	XTONZFVSTUSLRV-JTQLQIEISA-N	271.744	1.941	10	20	CDCD	
CC(C)(C)[C@H](N)CC(=O)NCc1c(O)cccc1F	1522792569	YLDHQNGEEDHXRB-GFCCVEGCSA-N	268.332	1.911	10	20	CDCD	
O=C(O)CC(=O)NCc1cccc(Br)c1O	1601888294	UYVZJJFDAQGXKV-UHFFFAOYSA-N	288.097	1.246	10	20	CDCD	
Fc1cc(CNC2CC2)ccc1N1CCOCC1	34823053	VSOONCMJFZTYDQ-UHFFFAOYSA-N	250.317	1.914	10	20	CDCD	
CC(C)c1ccc(O)c(CN[C@@H](CO)Cc2cnn[nH]2)c1	1575454200	LFXBAXKFAKUIEG-CQSZACIVSA-N	290.367	1.327	10	20	CDCD	
C[C@@H](NCC1(O)CCC1)c1cccc(-c2nn[nH]n2)c1O	1589978156	LNLUQVXIUNGNQP-SECBINFHSA-N	289.339	1.138	10	20	CDCD	
C[C@@H](NC[C@H]1C[C@@H](O)C1)c1cc(C(=O)O)ccc1O	1593286496	UMSCEIOHSXBQHJ-KKZNHRDASA-N	265.309	1.512	10	20	CDCD	
CN(C)c1ccc(CNC[C@@](C)(O)CC(=O)O)cc1	1777040262	MSPHLSXNKUGORH-AWEZNQCLSA-N	266.341	1.068	10	20	CDCD	
NC(=O)[C@H]1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2O)C1	157114622	AXFHKRWGKYUDPN-ZETCQYMHSA-N	299.714	1.261	10	20	CDCD	
CCS(=O)(=O)CCNCc1ccc2c(c1)CCCN2C	233828575	AXDOETJOYVTORD-UHFFFAOYSA-N	296.436	1.593	10	20	CDCD	
COC(=O)N(C)CCNCc1c(C)cccc1O	877633163	BJMSWVHAPGOWLJ-UHFFFAOYSA-N	252.314	1.488	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@H]1CCC[C@@H](N)C1	70576704	CVSRTVLGTLYWNJ-WCQYABFASA-N	262.353	1.868	10	20	CDCD	
CO[C@@H]1CN[C@@](C)(C(=O)N(C)Cc2ccccc2O)C1	701594181	WRPAOJMBSDSONI-SWLSCSKDSA-N	278.352	1.118	10	20	CDCD	
CC(C)[C@@H](C(=O)N(C)Cc1ccccc1O)[C@@H](C)N	399618726	YJJUDVJCUSYODX-BXUZGUMPSA-N	264.369	1.970	10	20	CDCD	
COC(=O)CCCNC(=O)NCc1ccc(N(C)C)cc1	54401569	OSTUGKHSKJUPPA-UHFFFAOYSA-N	293.367	1.505	10	20	CDCD	
O=C(NCc1c(O)ccc2c1CCCC2)c1c[nH]nn1	174519571	WOFBYWFAJWLPIT-UHFFFAOYSA-N	272.308	1.319	10	20	CDCD	
CN(C[C@@H](O)Cn1cccn1)c1ccc2c(c1)OCO2	178882509	QMIYHMDNPZWKGC-GFCCVEGCSA-N	275.308	1.109	10	20	CDCD	
CC(C)S(=O)(=O)CCN[C@@H](C)c1ccccc1O	311001029	XROPUHRJIOTBBQ-NSHDSACASA-N	271.382	1.866	10	20	CDCD	
C[C@H](NC[C@]1(O)CCOC1)c1cc(F)ccc1O	186178693	WKWJYJPCVAVJCC-TVQRCGJNSA-N	255.289	1.333	10	20	CDCD	
Cc1cnc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cn1	183428421	TVZDZWSVWOYBDW-VIFPVBQESA-N	287.319	1.557	10	20	CDCD	
C[C@@H](CO)NC(=O)NCc1ccc(N2CCCC2)cc1	48543241	DQYJNNHIFKIBCZ-LBPRGKRZSA-N	277.368	1.467	10	20	CDCD	
CCOc1cccc(CN2CCCC[C@@H]2C(=O)NC)c1O	133054140	PBSFOVKNXXCWKE-CYBMUJFWSA-N	292.379	1.891	10	20	CDCD	
Oc1cc2c(cc1CN[C@@H]1CCO[C@H]1C1CC1)OCO2	230316772	ZOIPNOODOACLRN-ABAIWWIYSA-N	277.320	1.778	10	20	CDCD	
Oc1ccccc1CN1CC[C@H](CN2CCOCC2)C1	179580055	DJDUVHJZLRUMMG-CQSZACIVSA-N	276.380	1.546	10	20	CDCD	
Cc1ccc(O)c(CN2CCCN(S(C)(=O)=O)CC2)c1	179904945	WVRMIRHUXYFGML-UHFFFAOYSA-N	298.408	1.168	10	20	CDCD	
OC[C@@]1(NCc2cccc(Cl)c2O)CCOC1	184193786	QZVVLEAPYPCKPQ-LBPRGKRZSA-N	257.717	1.287	10	20	CDCD	
CCNC(=O)CC(=O)NCc1c(C)c2ccccc2n1C	352127003	ZWZBLRGLWDXGDD-UHFFFAOYSA-N	287.363	1.629	10	20	CDCD	
CNC(=O)NC(=O)CN1CCCCc2cc(OC)ccc21	270894824	PSFSFKOJQPBOSP-UHFFFAOYSA-N	291.351	1.294	10	20	CDCD	
CCOC(=O)[C@H](C)CNC(=O)c1cccc(O)c1O	279408184	XBDOWKYJJPYRIS-MRVPVSSYSA-N	267.281	1.027	10	20	CDCD	
C[C@H](NC[C@H](O)C1CCOCC1)c1cc(F)ccc1O	273467815	JEQJOVQUUZZACC-BONVTDFDSA-N	283.343	1.969	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2CC[C@H](CO)C2)c1O	278245134	OOVGMOQJANGFHY-VIFPVBQESA-N	282.296	1.123	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2C[C@@H](C)OC[C@@H]2C)c1O	278153818	CQCAJARDRRVSPF-VHSXEESVSA-N	296.323	1.918	10	20	CDCD	
CCCCN(CCO)Cc1cc(OC)ccc1O	271861696	YXEORTNXIJSCDJ-UHFFFAOYSA-N	253.342	1.995	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](C)n1cccn1	274910334	IWZMRBPAORIOOV-WDEREUQCSA-N	289.335	1.603	10	20	CDCD	
COC[C@H](CO)N[C@H](C)c1ccc(C)c(C)c1O	281201345	SABPLGNYZOWUDR-NEPJUHHUSA-N	253.342	1.667	10	20	CDCD	
COc1ccc(O)c(CN2CC[C@](F)(CO)C2)c1	802660619	RJERFFSNHSAODO-CYBMUJFWSA-N	255.289	1.307	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CCCC(N)=O)cc1	299378748	GNXMZODLTKLJHO-UHFFFAOYSA-N	263.341	1.024	10	20	CDCD	
COC[C@H](O)CNC[C@@H]1CCN(c2ccc(OC)cc2)C1	819379360	GEXNWTBDJXOBGW-DZGCQCFKSA-N	294.395	1.118	10	20	CDCD	
CN(CCC(=O)O)C(=O)NCc1ccc(N(C)C)c(F)c1	818432346	SPEKUXCRMFNKFV-UHFFFAOYSA-N	297.330	1.508	10	20	CDCD	
CC[C@H](NC[C@H]1CNCCO1)c1ccccc1O	817982541	DZMQYRSDBGJOEE-YPMHNXCESA-N	250.342	1.421	10	20	CDCD	
CCNC(=S)N[C@H](C)c1cc(OC)ccc1O	728791745	FLAACKBHWJZYFV-MRVPVSSYSA-N	254.355	1.946	10	20	CDCD	
CCN1CC[C@@H](CNC(=O)c2c(F)ccc(O)c2O)C1	825510787	IUHOZPINFXKMCE-VIFPVBQESA-N	282.315	1.309	10	20	CDCD	
COC(=O)N(C)CC(=O)N[C@H](C)c1ccccc1O	827930468	KURKMJFXRDMJNS-SECBINFHSA-N	266.297	1.268	10	20	CDCD	
NC(=O)[C@H](NC(=O)c1cc(O)cs1)c1ccccc1	731864621	AMICRHYGQSQQTD-LLVKDONJSA-N	276.317	1.410	10	20	CDCD	
COc1cccc(O)c1CNC[C@@]1(C)CCC(=O)N1	835060766	NDSUXOSDJSETKQ-CQSZACIVSA-N	264.325	1.159	10	20	CDCD	
CO[C@@H]1COC[C@@H]1NCc1cc(Cl)c(F)cc1O	839195378	ICYYIBOSHVYWOS-CMPLNLGQSA-N	275.707	1.688	10	20	CDCD	
O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1C[C@H]1[N+](=O)[O-]	839692023	MRGGBPZBOGWUKM-DGCLKSJQSA-N	290.319	1.552	10	20	CDCD	
CC[C@@H](NC(=O)NCc1ccc(N(C)C)cc1)[C@@H](C)O	836236816	UQSNGLCPFULACJ-BXUZGUMPSA-N	279.384	1.711	10	20	CDCD	
C[C@H]1C[C@@H](NC(=O)c2c(F)ccc(O)c2O)c2nccn21	839786181	MWCDKEZVBHKJNS-IONNQARKSA-N	291.282	1.869	10	20	CDCD	
O=C(O)CCCC(=O)NCc1ccc2cccnc2c1O	911701309	TVFIZANQHNZSKA-UHFFFAOYSA-N	288.303	1.812	10	20	CDCD	
COCCOCC(=O)NCc1cc(Cl)ccc1O	846474767	BEESHSXGZYBEBD-UHFFFAOYSA-N	273.716	1.325	10	20	CDCD	
CCN(CC)c1ccc(CN[C@H]2[C@@H]3CNC[C@@H]32)cc1F	841078560	VAVDHHVOVVDFBW-VIKVFOODSA-N	277.387	1.979	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)NCCNC)cc1	841718763	AYVYUNYVFOAULU-UHFFFAOYSA-N	278.400	1.551	10	20	CDCD	
CC[C@@H](C)[C@@H](OC)C(=O)NCc1ccc(O)cc1O	910945474	AMPXBALUFKUCNW-NOZJJQNGSA-N	267.325	1.775	10	20	CDCD	
CN(C)CCN(C[C@@H]1CCCO1)C(=O)c1cc(O)cs1	748322491	YWCDEHSTSBXYTP-LBPRGKRZSA-N	298.408	1.637	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N[C@H]2CC[C@@H](CN)C2)cc1	841655003	QWLPZMYPBUETSV-KGLIPLIRSA-N	290.411	1.679	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)OCCC1(O)CCC1	840336677	RZOXNJJOSRUQHA-HWKANZROSA-N	278.304	1.959	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1[nH]c(O)nc1C	847500899	QVOHJTGUUNQQJQ-UHFFFAOYSA-N	288.351	1.728	10	20	CDCD	
Cc1nonc1CC(=O)NCCCSc1nccs1	845505944	KLKPUUXMDYOHDG-UHFFFAOYSA-N	298.393	1.676	10	20	CDCD	
COc1ccc(CNC(=N)N2CCSCC2)c(O)c1	849025136	OUVHBYXUPXSKOB-UHFFFAOYSA-N	281.381	1.474	10	20	CDCD	
Cc1ccc(O)c(CN2CCNC[C@H]2c2nccn2C)c1	843121345	FCYMLMNCTXECPT-AWEZNQCLSA-N	286.379	1.581	10	20	CDCD	
C[C@@H]1OCC[C@H]1NCc1ccc(N2CCC(O)CC2)cc1	850406391	FNNCVGFUGYRFKW-SUMWQHHRSA-N	290.407	1.915	10	20	CDCD	
COc1cccc(CNCCN(C)CC(F)F)c1O	858336570	MCPIBMYUHIJNBA-UHFFFAOYSA-N	274.311	1.687	10	20	CDCD	
Nc1ccc(CCNC(=O)c2cccc3c2CCNC3)cc1	852797559	WGLOSSODWBVHDE-UHFFFAOYSA-N	295.386	1.887	10	20	CDCD	
COc1ccc(CNC[C@@H]2CCN(C(C)=O)C2)cc1C	1026629853	DRGIZDSUWBZMFA-HNNXBMFYSA-N	276.380	1.962	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cncc(O)c1	935946102	XUKZQRNUMSPULO-UHFFFAOYSA-N	293.319	1.909	10	20	CDCD	
CC1(OCC(=O)NCCc2ccc(O)c(O)c2)CCC1	762269159	ZGVWPTVSHDRRMN-UHFFFAOYSA-N	279.336	1.716	10	20	CDCD	
COc1ccc(O)c(CNC(=O)C2CCN(C)CC2)c1	769543099	MBXUUVQSRXWYCH-UHFFFAOYSA-N	278.352	1.359	10	20	CDCD	
Cc1ccc([C@H](C)NC[C@]2(O)CCN(C)C2)c(O)c1C	762784854	ALRURKXCGZFVJB-XJKSGUPXSA-N	278.396	1.726	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N(C)C[C@H](C)N	861583454	VEHFBMSNULIIPC-LBPRGKRZSA-N	278.400	1.550	10	20	CDCD	
CC1(CCNC(=O)c2cc(O)cs2)OCCO1	760451840	YAFFDPTUGHDQAD-UHFFFAOYSA-N	257.311	1.337	10	20	CDCD	
Cc1cccc(O)c1CN1CCCN(C(N)=O)CC1	876656498	BWSHJWMSKMPECY-UHFFFAOYSA-N	263.341	1.287	10	20	CDCD	
O=C(O)[C@H](O)CNCc1cc(Cl)cc(Cl)c1O	1119615097	GKMHUSYXVJWUEN-MRVPVSSYSA-N	280.107	1.234	10	20	CDCD	
Cc1cnn([C@H]2CCCNC2)c1C(=O)Nc1ccc(N)cc1	876503882	GMYBGKSNWCFRNZ-AWEZNQCLSA-N	299.378	1.951	10	20	CDCD	
C[C@@H](C[C@H]1CCCC(=O)N1)NCc1ccccc1O	876996136	PSABIGXHDPULCW-WCQYABFASA-N	262.353	1.929	10	20	CDCD	
COC(=O)[C@@H](O)C1CCN(Cc2c(C)cccc2O)CC1	876809392	FVAYDNYNOWETRS-HNNXBMFYSA-N	293.363	1.447	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2C[C@@H](O)C[C@@]2(C)CO)c1O	878983751	QFASGOHJJRSPPA-WFASDCNBSA-N	297.326	1.052	10	20	CDCD	
COCC[C@]1(NCc2cc([N+](=O)[O-])ccc2O)CCOC1	773953387	FLTMMFIDKWZCJO-AWEZNQCLSA-N	296.323	1.586	10	20	CDCD	
CNC(C)(C)c1cn(Cc2ccc(N(C)C)cc2)nn1	881271106	HDOZDNQURHIKHK-UHFFFAOYSA-N	273.384	1.847	10	20	CDCD	
CC[C@H](C)[C@](C)(O)CNC(=O)NCc1ccc(N)cc1	1120681983	SGGGBTJFUPLVCM-XHDPSFHLSA-N	279.384	1.865	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)[C@H](O)C1CCCCC1	783680484	YJOOKUNBOWSPSB-CQSZACIVSA-N	279.336	1.655	10	20	CDCD	
C[C@@H]1C[C@@H](C(=O)NCc2ccc(N(C)C)c(F)c2)CO1	784077765	XWEQNGPUOUXLBP-ZYHUDNBSSA-N	280.343	1.933	10	20	CDCD	
Cc1ccc(C(=O)NCCn2cccc2)c(O)c1O	780953697	ZJPAVTVWQVMRBD-UHFFFAOYSA-N	260.293	1.638	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@@H]2C[C@H]1CN2	891563905	KFJOYMBITFNRFM-ZFWWWQNUSA-N	288.395	1.317	10	20	CDCD	
CN(Cc1ccccc1O)c1ccncc1C(N)=O	302621212	GZAZXDDLUIQDER-UHFFFAOYSA-N	257.293	1.523	10	20	CDCD	
Cc1n[nH]c(C)c1CC(=O)NCc1ccc(N)cc1	701404795	IMXWSWFGVIMKLA-UHFFFAOYSA-N	258.325	1.468	10	20	CDCD	
O=S(=O)(NCCCSc1nccs1)N1CCC1	795833480	QTOCBGUOOBJZAV-UHFFFAOYSA-N	293.439	1.165	10	20	CDCD	
COCCO[C@H]1CCN(Cc2cc(OC)ccc2O)C1	188811082	MZYNYLIMWKMKTC-AWEZNQCLSA-N	281.352	1.638	10	20	CDCD	
O=C(CC1COC1)NCc1ccc(N2CCCC2)cc1	791208510	JOWOBFYRKWYHMK-UHFFFAOYSA-N	274.364	1.940	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)N(C)CCF	1328368207	YUPBJUVOQFFGJP-UHFFFAOYSA-N	296.342	1.559	10	20	CDCD	
CCC[C@H](O)[C@H](CO)NCc1ccc(N2CCCC2)cc1	1345189564	AIWHAICUXDUHIO-IRXDYDNUSA-N	292.423	1.898	10	20	CDCD	
CC[C@H](C(=O)NCc1cccc(O)c1O)N1CCCC1=O	1348048007	RJQFBRKRLUYKQD-LLVKDONJSA-N	292.335	1.115	10	20	CDCD	
O=C(NCc1cccc(O)c1O)[C@H]1CCCOCC1	1528770968	ITHLQRRQOOIOGI-JTQLQIEISA-N	265.309	1.531	10	20	CDCD	
COc1cc(O)c(CNC(C)(C)C(=O)O)cc1OC	1607183212	MEGIMGNYYCYKMS-UHFFFAOYSA-N	269.297	1.362	10	20	CDCD	
O=C(O)/C=C\c1ccc(N2CC(CCO)C2)c([N+](=O)[O-])c1	1601881111	NUQFIOOALCFFTR-RQOWECAXSA-N	292.291	1.511	10	20	CDCD	
C[C@H](NC[C@@H]1CCC[C@H]1O)c1cc(C(=O)O)ccc1O	1604341371	KHFCKQUAKGOMGL-XHVZSJERSA-N	279.336	1.902	10	20	CDCD	
CCCNCCN[C@@H](C)c1cc(C(=O)O)ccc1O	1605333851	AEWKFLGBZDAGAO-JTQLQIEISA-N	266.341	1.741	10	20	CDCD	
O=C(O)c1ccc(COC(=O)c2cc(O)cs2)nc1	1602351840	AGBYEHSZHFIRBX-UHFFFAOYSA-N	279.273	1.904	10	20	CDCD	
C[C@@H](CC(=O)O)NC(=O)NCc1ccc(N(C)C)cc1	1603124996	BMSUADCLQLXEBD-JTQLQIEISA-N	279.340	1.415	10	20	CDCD	
CCOc1cccc(CNCC2(CO)CC2)c1O	118907157	OVXJHWMAEYGFQZ-UHFFFAOYSA-N	251.326	1.653	10	20	CDCD	
CC[C@H](CNCc1ccc(F)c(F)c1O)C(=O)O	1589552053	JRMQMZREQFUICD-SSDOTTSWSA-N	259.252	1.871	10	20	CDCD	
COC(=O)COc1ccc(N(C)CCCC(=O)O)cc1	1598866133	AFSIZJHKBXXLTC-UHFFFAOYSA-N	281.308	1.539	10	20	CDCD	
CN[C@H](C)CCN[C@@H](C)c1cc(C(=O)O)ccc1O	1598663243	CNVREPLMSIMESN-ZJUUUORDSA-N	266.341	1.739	10	20	CDCD	
Cc1n[nH]c(C)c1CNCc1ccc(C(=O)O)cc1O	1777485531	ZNEVRTUGBPTSFR-UHFFFAOYSA-N	275.308	1.720	10	20	CDCD	
C[C@@H](O)C[C@@H]1CCCN1C(=O)c1cccc(O)c1O	126643218	LIXMVTLWSSZPFX-ZJUUUORDSA-N	265.309	1.473	10	20	CDCD	
O=S(=O)(NCc1ccccc1O)c1cncc(F)c1	158587289	YBYALMOMAQKUFI-UHFFFAOYSA-N	282.296	1.405	10	20	CDCD	
CCOC(=O)[C@@H]1CNCCN1Cc1cc(Cl)ccc1O	88657950	ACUAUZFCGYWCCC-LBPRGKRZSA-N	298.770	1.383	10	20	CDCD	
CCc1cccc(CN(C)Cc2nncn2C)c1O	692130390	VVEOSYQQAMBJAI-UHFFFAOYSA-N	260.341	1.715	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2cocn2)c1	104900880	MTPQJDGJBRSIIJ-MRVPVSSYSA-N	262.265	1.880	10	20	CDCD	
C[C@@H]1NC(=S)N(Cc2ccc(N(C)C)c(F)c2)C1=O	58477801	FJFCOGDVUUSUKF-QMMMGPOBSA-N	281.356	1.497	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NC[C@@H]2CCCOC2)cc1	56346307	ZVDSOFBOSZNESJ-AWEZNQCLSA-N	291.395	1.978	10	20	CDCD	
CCOCCC(=O)N1CCOc2cc(N(C)C)ccc21	173196968	NQBFCAGYWSVMDL-UHFFFAOYSA-N	278.352	1.905	10	20	CDCD	
COC[C@H](C)N1CCN(c2ccc(OC)c(F)c2)CC1	122116723	PWKZYWRZSYKIAY-LBPRGKRZSA-N	282.359	1.991	10	20	CDCD	
COC(=O)N1CC(N[C@@H](C)c2ccc(C)cc2O)C1	186137699	NGSVGDLZNGZKMC-JTQLQIEISA-N	264.325	1.802	10	20	CDCD	
CN(C)c1ccc(CNCCCOCCO)cc1	227334439	UXPGWABWYLXSDG-UHFFFAOYSA-N	252.358	1.241	10	20	CDCD	
C[C@@H]1CN(Cc2cc(F)ccc2O)C[C@@H]1C(=O)O	235348358	PDCGDVZBSNJZLW-KCJUWKMLSA-N	253.273	1.684	10	20	CDCD	
Cc1c(CNC(=O)c2cn(C)nn2)n(C)c2ccccc12	342294567	QGHMAXRVPOVVDM-UHFFFAOYSA-N	283.335	1.545	10	20	CDCD	
Cc1cc(O)c(CN2CCC(S(N)(=O)=O)CC2)cc1C	364903458	OEEAAJGMNGLJGP-UHFFFAOYSA-N	298.408	1.262	10	20	CDCD	
CN(C)c1ccc(CN2CCC[C@H](S(C)(=O)=O)C2)cc1	274093037	ISJXHOSDRIQEHH-HNNXBMFYSA-N	296.436	1.762	10	20	CDCD	
COC[C@H](NCc1cccc(OC)c1O)[C@@H]1CCCO1	278726652	UAZWACWRSIFOQN-STQMWFEESA-N	281.352	1.684	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H](O)C(F)(F)F	272603846	HLMBVXQMONENRQ-XCRNYIDWSA-N	291.225	1.150	10	20	CDCD	
COCCO[C@H]1CCN(Cc2cc3c(cc2O)OCO3)C1	275627312	SSRUISICRREGPW-LBPRGKRZSA-N	295.335	1.358	10	20	CDCD	
COc1cc(O)c(CNCCC[C@H](C)CO)cc1OC	271869435	XGDCTXQCGOYHGL-NSHDSACASA-N	283.368	1.908	10	20	CDCD	
CCN(CCC(=O)OC)Cc1cc(OC)c(OC)cc1O	271101018	PEKWDJWRILANBO-UHFFFAOYSA-N	297.351	1.794	10	20	CDCD	
COc1ccc(O)c(CN2CC[C@](O)(C3CC3)C2)c1	373274940	ONHPRCKYXDLUDC-OAHLLOKOSA-N	263.337	1.748	10	20	CDCD	
OC[C@@H](CNCc1c(O)cccc1Cl)[C@@H]1CCOC1	280243368	IKSOVFFLKVFQAG-GHMZBOCLSA-N	285.771	1.780	10	20	CDCD	
C[C@@H](CF)NC(=O)NCc1ccc(N2CCOCC2)cc1	287029650	DXGCEHWCYYCEFG-LBPRGKRZSA-N	295.358	1.680	10	20	CDCD	
Cc1cccc(CN2CCN(C[C@@H](C)O)C[C@@H]2C)c1O	284291083	IBTIXNSQSSRBEB-UONOGXRCSA-N	278.396	1.588	10	20	CDCD	
Nc1ccc(CCNC(=O)[C@@H]2CCC[C@@H](C(=O)O)C2)cc1	386843696	UGUZRIOZYDSAJS-CHWSQXEVSA-N	290.363	1.819	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CC1(F)F	295771345	PVMMSSKXIUGFMI-CBAPKCEASA-N	271.263	1.800	10	20	CDCD	
COc1ncccc1COC(=O)c1cccc(O)c1O	801310911	CQFPYQCXRZJBIB-UHFFFAOYSA-N	275.260	1.858	10	20	CDCD	
C[C@@H](Cn1cccn1)NC(=O)NCc1ccccc1O	299467855	BWIBNFZTKDBEAH-NSHDSACASA-N	274.324	1.477	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ncccc1O	808094963	LYUOPAVUKBZJKR-UHFFFAOYSA-N	293.319	1.909	10	20	CDCD	
CC[C@H](NC[C@@H]1CNCCCO1)c1ccccc1O	817982439	SJLLYXBIHGLTNU-JSGCOSHPSA-N	264.369	1.811	10	20	CDCD	
CCOC(=O)[C@H]1NCC[C@@H]1NCc1ccc(N(C)C)cc1	817896704	QBZDZQXVJHIJGW-GJZGRUSLSA-N	291.395	1.136	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC[C@H]2CNCCCO2)c1	817981396	IWILPSZTYGILGQ-WCQYABFASA-N	280.368	1.430	10	20	CDCD	
CC[C@@H]1CN(C)CCN1Cc1cccc(OC)c1O	816660819	QLASGFKUTFAAPY-CYBMUJFWSA-N	264.369	1.927	10	20	CDCD	
CCN1CCC(CNC(=O)NCc2ccccc2O)CC1	726251006	OJTKOUBMRSHOGQ-UHFFFAOYSA-N	291.395	1.923	10	20	CDCD	
C[C@H](CN1CCCC1=O)NC(=O)c1cc(O)cs1	732274778	ZFGBFUOVJKYDJM-MRVPVSSYSA-N	268.338	1.194	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@H]2CCCC(=O)N2C)c1	907060431	NVWGNBUFMSAKKJ-GFCCVEGCSA-N	292.335	1.028	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNS(=O)(=O)N1CCCC1	734503024	QFUNLOGAARJLOG-UHFFFAOYSA-N	297.424	1.491	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2ccn(C)n2)c1	734014786	ABZIGXYHEWTFIV-UHFFFAOYSA-N	261.281	1.064	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	839684205	UTHSMTBBSSYBOE-CHWSQXEVSA-N	277.324	1.342	10	20	CDCD	
O=C(NCc1ccccc1O)N[C@H]1CCCN(C(=O)O)C1	739449027	ZSFBOGFMKKARPF-NSHDSACASA-N	293.323	1.334	10	20	CDCD	
O=C1C[C@H]2C[C@@H]1[C@H](C(=O)NCCc1ccc(O)c(O)c1)C2	837479460	BQDJLHMQGKCQSS-QJPTWQEYSA-N	289.331	1.372	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1[C@H]2CCC(=O)[C@@H]21	907274133	PNFQVYWPFGEQMY-BDAURDKOSA-N	289.331	1.370	10	20	CDCD	
COCCCCC(=O)NC[C@@H](N)c1ccc(N(C)C)cc1	832279833	LCWUOMVLXIIJMU-OAHLLOKOSA-N	293.411	1.685	10	20	CDCD	
C[C@]1(C(=O)NCc2ccc(O)cc2O)C[C@H]2CC[C@H]1O2	910947296	CENHGXWZMSRFTL-KYOSRNDESA-N	277.320	1.672	10	20	CDCD	
Cc1[nH]ccc1C(=O)NC[C@H](N)c1ccc(N(C)C)cc1	843298376	NVZYFUPIPZYWOG-HNNXBMFYSA-N	286.379	1.819	10	20	CDCD	
COc1ccc(CNC(=O)[C@H](C)Cc2cnc[nH]2)c(O)c1	848022425	ATPJKSJOUAZTAO-SNVBAGLBSA-N	289.335	1.619	10	20	CDCD	
CO[C@@H]1CCN(C(=O)NCc2ccc(N(C)C)cc2)C1	751992444	ASAOVUATTAWPKI-CQSZACIVSA-N	277.368	1.683	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)NC[C@@H]1COCO1	923857739	XLBRVZLUKHMTKD-CYBMUJFWSA-N	294.351	1.687	10	20	CDCD	
CNS(=O)(=O)CCCN[C@H](C)c1ccc(C)cc1O	866457066	IGWFZZQGTNBAPM-LLVKDONJSA-N	286.397	1.291	10	20	CDCD	
CC[C@@H](NC(C)=O)C(=O)NCc1cc(C)ccc1O	869410217	HQZLDELMJQIECQ-GFCCVEGCSA-N	264.325	1.232	10	20	CDCD	
CCN(C)c1ccc(CN2CC[C@](OC)(C(=O)O)C2)cc1	863474760	KVZONMJZXFVLTI-MRXNPFEDSA-N	292.379	1.818	10	20	CDCD	
Cc1cnccc1C(=O)NCc1ccc(O)c(O)c1	771417102	KXVOFZGDPGJJBP-UHFFFAOYSA-N	258.277	1.731	10	20	CDCD	
Cc1cccc(O)c1CNCCCN1CCC[C@H]1C(N)=O	877650424	BIWBHSXYTRXYSS-AWEZNQCLSA-N	291.395	1.130	10	20	CDCD	
Cn1c(Cl)cnc1COC(=O)c1cccc(O)c1O	776282949	ZGKOSIUOOVEDLP-UHFFFAOYSA-N	282.683	1.842	10	20	CDCD	
C[C@H](CO)N(C)Cc1ccc(N2CCC(O)CC2)cc1	877528083	ZNYHBSACCMQRPQ-CYBMUJFWSA-N	278.396	1.460	10	20	CDCD	
C[C@@H](N[C@@H]1CC[C@H](C(N)=O)C1)c1c(O)cccc1F	886622294	PAMIBRMPSAIKMF-KXUCPTDWSA-N	266.316	1.836	10	20	CDCD	
CCOc1ccc(CN2C[C@@H](CO)O[C@H](C)C2)c(O)c1	787418503	WRTLIJABINALSZ-RISCZKNCSA-N	281.352	1.373	10	20	CDCD	
COc1ccc(CN2CCC[C@]2(C)CO)c(O)c1OC	893885371	YJGJGFOVZXIUGZ-OAHLLOKOSA-N	281.352	1.756	10	20	CDCD	
C[C@@H](C[S@@](C)=O)NCc1ccc2c(c1)CCO2	168150205	FTBMVDZBDRUYNW-BTDLBPIBSA-N	253.367	1.478	10	20	CDCD	
COCCOCCC(=O)NCc1ccc(OC)cc1O	794371214	YTDPWCDQYYJUEL-UHFFFAOYSA-N	283.324	1.070	10	20	CDCD	
CCn1ncnc1CNC(=O)/C=C\c1ccc(O)c(O)c1	794232608	LMIOFXPBWQCMBH-XQRVVYSFSA-N	288.307	1.039	10	20	CDCD	
COc1ccc(CNC(=O)NCc2ccoc2)c(O)c1	792846265	GYTLHBLVARYQIC-UHFFFAOYSA-N	276.292	1.993	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)c1cnc(C2CC2)[nH]1	1321516243	DXNLTAVJJCHXPW-UHFFFAOYSA-N	287.319	1.671	10	20	CDCD	
C[C@@H](NCc1nnc2n1CCOC2)c1ccc(F)cc1O	1320702291	QNSMYNNDIQXQDM-SECBINFHSA-N	292.314	1.504	10	20	CDCD	
COCc1nocc1C(=O)NCc1ccccc1O	1261218585	ZEMCQCAJOGCZKC-UHFFFAOYSA-N	262.265	1.457	10	20	CDCD	
Nc1ccc(CN2CCC([C@@H]3OCCC[C@@H]3N)CC2)cc1	1345160149	SHOWSQCGGBFIJE-IRXDYDNUSA-N	289.423	1.987	10	20	CDCD	
C[C@H](NC(=O)C(C)(C)C)C(=O)NCc1cccc(O)c1O	1350300499	SBAZJHACEHWTTN-VIFPVBQESA-N	294.351	1.265	10	20	CDCD	
CN1CCC(CC(=O)NCc2cccc(O)c2O)CC1	1350300897	ZRJMBSOYAQYMNY-UHFFFAOYSA-N	278.352	1.446	10	20	CDCD	
CC(C)[C@H](NC=O)C(=O)NCc1ccc(N(C)C)c(F)c1	1351693491	PCOZXQNRAAFTCG-AWEZNQCLSA-N	295.358	1.279	10	20	CDCD	
Cc1ccc(NCCNC(=O)Cc2ccc(N)cc2)nc1	1523209385	BKZZWPVRWFDPIG-UHFFFAOYSA-N	284.363	1.743	10	20	CDCD	
COC[C@]1(C(=O)O)CCCN1Cc1cc(OC)ccc1O	1606833860	WGMDMCYRFJDWTE-HNNXBMFYSA-N	295.335	1.466	10	20	CDCD	
Cc1c(NCc2ccc(F)c(F)c2O)cnn1CC(=O)O	1600051984	YYRCRSFLVRGFBE-UHFFFAOYSA-N	297.261	1.872	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)OCC1(C(=O)O)CC1	1601238462	KZQMOUASJSKASP-DUXPYHPUSA-N	278.260	1.519	10	20	CDCD	
O=C(NCc1c(O)cccc1F)[C@@H]1[C@H]2CCNC[C@H]21	1580707631	DACAXEPRHWSSFD-IGJMFERPSA-N	264.300	1.003	10	20	CDCD	
CC[C@H](C)N(CC(=O)O)C(=O)/C=C/c1ccc(O)c(O)c1	1594972526	WOEXBOOQWQMHID-STUBTGCMSA-N	293.319	1.823	10	20	CDCD	
O=C(O[C@H](C(=O)O)C1CC1)c1cccc(O)c1O	1595272986	DTMZECMGGPQNQK-JTQLQIEISA-N	252.222	1.118	10	20	CDCD	
C[C@H](CNCc1cc([N+](=O)[O-])ccc1O)[C@@H](F)C(=O)O	1776424910	RKYRPIODINNNSB-RDDDGLTNSA-N	286.259	1.449	10	20	CDCD	
CCCNC(=O)CCCC(=O)NCCc1ccc(N)cc1	152573405	BOMPRHGMYRBZOY-UHFFFAOYSA-N	291.395	1.624	10	20	CDCD	
Cc1cc(C(=O)N[C@H](C)c2ccccc2O)n(C)n1	827930293	GAZZYACXAOGWNR-SNVBAGLBSA-N	259.309	1.925	10	20	CDCD	
COc1cccc(O)c1CN1CCC[C@@H](CCN)C1	843112644	JYXWZHDBZHUKPM-LBPRGKRZSA-N	264.369	1.962	10	20	CDCD	
CCN(CC)[C@H]1CCN(C(=O)Cc2ccc(N)cc2)C1	62972678	YJLIXBCYKIZIOU-HNNXBMFYSA-N	275.396	1.754	10	20	CDCD	
CN(Cc1ccc(N)cc1)C1CCN(S(C)(=O)=O)CC1	689850086	VDYGRWNPRJFBRP-UHFFFAOYSA-N	297.424	1.125	10	20	CDCD	
COc1ccc(O)c(CNS(=O)(=O)c2cccnc2)c1	119849983	RMDZKDWQNQHZHL-UHFFFAOYSA-N	294.332	1.274	10	20	CDCD	
O=S1(=O)CC[C@H](N(Cc2ccccc2O)C2CC2)C1	179558187	IYDOFBVZWXKBTL-ZDUSSCGKSA-N	281.377	1.544	10	20	CDCD	
CCS(=O)(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1	62575120	VYBZSBHCKRUXPO-LBPRGKRZSA-N	298.408	1.461	10	20	CDCD	
CCCNC(=O)CN1CCCc2cc(OC)ccc21	27579240	GJDCUZNAMJDSQT-UHFFFAOYSA-N	262.353	1.974	10	20	CDCD	
CCCNC(=O)CCC(=O)NCc1cccc(OC)c1O	111597707	IJNSBAXUXWXSIM-UHFFFAOYSA-N	294.351	1.323	10	20	CDCD	
O=C(O)C[C@@H]1COCCN1Cc1cc(Cl)ccc1O	128743742	HKZXKLMGSSUFPD-LLVKDONJSA-N	285.727	1.721	10	20	CDCD	
CC(=O)NC1CCN(Cc2ccc(N(C)C)c(F)c2)CC1	123254918	NPTDOGPYZIHKQI-UHFFFAOYSA-N	293.386	1.992	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)[C@H]1CNCCO1	187580551	GCVQETPEQQUGDP-CQSZACIVSA-N	278.352	1.119	10	20	CDCD	
C[C@@H](NC[C@]1(O)CCOC1)c1cc(F)ccc1O	186178707	WKWJYJPCVAVJCC-NOZJJQNGSA-N	255.289	1.333	10	20	CDCD	
CN(C[C@H]1CCC[C@@H]1O)C(=O)/C=C/c1ccc(O)c(O)c1	181261639	DPCZHJUVPCRPNF-DZTBXEGKSA-N	291.347	1.730	10	20	CDCD	
CC(C)(O)CN1CCN(Cc2c(O)cccc2Cl)CC1	129989016	KBFWSPGQSTVURL-UHFFFAOYSA-N	298.814	1.934	10	20	CDCD	
COc1cccc(CN2C[C@@H]3CCCN[C@@H]3C2)c1O	219806562	GWIZOQWLXMSAHL-WCQYABFASA-N	262.353	1.585	10	20	CDCD	
Cc1ccc(O)c(CNC[C@@H]2CCCS2(=O)=O)c1	126936979	XVUMUYFSUBPZGZ-LBPRGKRZSA-N	269.366	1.367	10	20	CDCD	
C[C@@H](N)CC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	40855896	LQXVLZFSQCGKQQ-CYBMUJFWSA-N	291.395	1.219	10	20	CDCD	
CNC(=O)CCCNC(=O)NCc1ccc(N(C)C)cc1	47270395	XOPXZEMQWTZFMH-UHFFFAOYSA-N	292.383	1.078	10	20	CDCD	
CN(CC(N)=O)Cc1cccc(Br)c1O	132598284	TWWNWCYVQBEVHH-UHFFFAOYSA-N	273.130	1.072	10	20	CDCD	
CC(=O)N[C@@H]1CCN(Cc2cccc(Cl)c2O)C1	228356316	RAZDHUFKNFCEHG-LLVKDONJSA-N	268.744	1.756	10	20	CDCD	
Cc1ccc(C(=O)N[C@H](C)[C@H]2CCOC2)c(O)c1O	272745692	NALIIJSJVLAKFB-ZJUUUORDSA-N	265.309	1.561	10	20	CDCD	
Cn1cncc1CCC(=O)NCc1ccccc1O	279867327	KVQSSJJBNLWOTP-UHFFFAOYSA-N	259.309	1.375	10	20	CDCD	
COCCN(CC(=O)OC)Cc1cc(OC)ccc1O	271873358	SPZVSXUQTBQHKM-UHFFFAOYSA-N	283.324	1.022	10	20	CDCD	
COc1ccc([N+](=O)[O-])cc1OCC(=O)C(C)=O	289540381	FLXRSHNIAPHYMZ-UHFFFAOYSA-N	253.210	1.140	10	20	CDCD	
Oc1cccc2c1[C@H](NCCC1(O)CCOCC1)CC2	297421175	UROJTGKQFYKWGQ-CYBMUJFWSA-N	277.364	1.901	10	20	CDCD	
CCN(CC(N)=O)c1ccc(/C=C\C(=O)O)cc1[N+](=O)[O-]	385479258	GHTHGTYJUJPXCU-XQRVVYSFSA-N	293.279	1.004	10	20	CDCD	
COCC[C@@H]1COCCN1Cc1cc(F)ccc1O	291326608	UCBHCLYMRRPEEU-CYBMUJFWSA-N	269.316	1.769	10	20	CDCD	
CC[C@H](O)CN[C@H](C)c1cc(C(=O)OC)ccc1O	293688715	NQHCZLZONIBVQU-KOLCDFICSA-N	267.325	1.600	10	20	CDCD	
COc1ccc(O)c(CNC(=O)N[C@H]2CSC[C@@H]2C)c1	806810157	HUVVLEXBLLFMBD-CABZTGNLSA-N	296.392	1.952	10	20	CDCD	
CON(C)C(=O)C1CCN(Cc2cccc(C)c2O)CC1	291020471	AHBISNJBJBMFGE-UHFFFAOYSA-N	292.379	1.932	10	20	CDCD	
CN(C)c1ccc(CNCCN2CCC(O)CC2)cc1F	294873978	PKLDPVUMSMDFCW-UHFFFAOYSA-N	295.402	1.438	10	20	CDCD	
Cc1nc([C@H](C)NC(=O)c2cc(O)cs2)n[nH]1	807755266	XBMWALPNGIVIPO-YFKPBYRVSA-N	252.299	1.371	10	20	CDCD	
CC[C@@H](N[C@H]1[C@@H]2CNC[C@@H]21)c1ccc(F)cc1O	817977844	QKJUTAULMANMNZ-CZXHOFHRSA-N	250.317	1.790	10	20	CDCD	
CC[C@H](N[C@H]1[C@@H]2CNC[C@@H]21)c1ccc(F)cc1O	817977845	QKJUTAULMANMNZ-KZVDOYCCSA-N	250.317	1.790	10	20	CDCD	
CSC[C@H](O)CNCc1ccc(N(C)C)cc1C	819078161	SILLHNOPUALTNB-CQSZACIVSA-N	268.426	1.875	10	20	CDCD	
Cc1cc(C)c([C@@H](C)NCc2cn(C)nn2)c(O)c1	815615402	PAZMGIFNDYGRLS-LLVKDONJSA-N	260.341	1.988	10	20	CDCD	
CCSc1ccccc1C(=O)N1CCS(=O)(=O)CC1	728716677	JAWMSDAMLXLRQB-UHFFFAOYSA-N	299.417	1.669	10	20	CDCD	
COC(=O)NCCC(=O)N[C@H](C)c1ccccc1O	827936858	DKFSJTXNTXFVBJ-SECBINFHSA-N	266.297	1.316	10	20	CDCD	
N[C@@H]1C[C@@H]1C(=O)NCc1ccc(N2CCCC2)cc1	827008810	WUUAZHGBMCAJHU-UONOGXRCSA-N	259.353	1.250	10	20	CDCD	
N[C@@H](CC(F)F)C(=O)NCCCSc1nccs1	829528275	NVGCBSHEEGWAIN-ZETCQYMHSA-N	295.380	1.724	10	20	CDCD	
Cc1noc([C@@H](C)NC(=O)NCc2ccccc2O)n1	726250726	BLGRGVNNOSWGGT-MRVPVSSYSA-N	276.296	1.644	10	20	CDCD	
CC[C@H](C)NC(=O)[C@H](C)OC(=O)c1ccc(C)c(O)c1O	727005621	UHOVVOQCDWXVFK-UWVGGRQHSA-N	295.335	1.866	10	20	CDCD	
CN(CC(=O)NCc1ccc(O)c(O)c1)C1CCC1	901131345	IZDDUUNDTAQTHG-UHFFFAOYSA-N	264.325	1.198	10	20	CDCD	
CCOC(=O)C1(CNC(=O)Cc2ccc(N)cc2)CCC1	831933475	JWISRSSVCMIQAF-UHFFFAOYSA-N	290.363	1.661	10	20	CDCD	
Cc1ccc(C(=O)N(CC(F)F)C[C@@H](C)O)c(O)c1O	837010121	YIQYAXKVRYIPHT-MRVPVSSYSA-N	289.278	1.494	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNS(=O)(=O)[C@@H]1CCOC1	735675653	OOWUHFIDKVLJPM-CQSZACIVSA-N	298.408	1.269	10	20	CDCD	
CC(C)N(C)CC(=O)NC[C@H](N)c1ccc(N(C)C)cc1	832280528	PASSGDXKZWULCZ-HNNXBMFYSA-N	292.427	1.209	10	20	CDCD	
CC(=O)NCc1ccc(C(=O)NCc2ccccc2O)cc1	748354201	WJUASGVSCFYVQA-UHFFFAOYSA-N	298.342	1.958	10	20	CDCD	
O=C(NCc1ccc2cccnc2c1O)[C@H]1C[C@H]1C(=O)O	911701717	VSMDVWBXZKKDDM-WDEREUQCSA-N	286.287	1.277	10	20	CDCD	
C[C@H](CO)C1CCN(Cc2cc3c(cc2O)OCO3)CC1	846056851	BLSWWFDCWBVJRH-LLVKDONJSA-N	293.363	1.961	10	20	CDCD	
C[C@@H]1C[C@@H](C(=O)NCc2ccc(O)cc2O)CCC1=O	910950241	TVAWINVITPCPKV-ZJUUUORDSA-N	277.320	1.719	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNC[C@H]2CCCCN2)c1O	841033175	OGJRSQGWIOPNNB-LLVKDONJSA-N	295.339	1.541	10	20	CDCD	
OC[C@@H](CCF)NCc1cc(Cl)c(F)cc1O	846098099	YZFYFYCUHRKTDB-MRVPVSSYSA-N	265.687	1.995	10	20	CDCD	
Cc1cccc(CNCC[C@]2(O)CCCOC2)c1O	846109338	TYMFMAHRYYEUAH-OAHLLOKOSA-N	265.353	1.722	10	20	CDCD	
CC(C)C[C@@H]1C(=O)NCCN1C(=O)Nc1ccc(N)cc1	841296205	QRIUQZRGWKGCTM-CYBMUJFWSA-N	290.367	1.647	10	20	CDCD	
CCOc1ccc(O)c(CNC[C@H]2CCN2C)c1	922575943	QGMJRWNNCZGZJR-GFCCVEGCSA-N	250.342	1.585	10	20	CDCD	
C[C@H]1CO[C@H](C)CN1CCNC(=O)c1cc(O)cs1	855407391	MCVRSDLBHSLBPI-VHSXEESVSA-N	284.381	1.293	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NO[C@H]2CCCCO2)c1	858410394	XNDDACCYGOLFHA-ZDUSSCGKSA-N	280.324	1.958	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H]2COCO2)c1	923856524	PWMXFARDRNYBBI-MWLCHTKSSA-N	296.323	1.134	10	20	CDCD	
COC[C@](C)(CC(=O)OC)NCc1ccccc1O	757926022	JEQGFEZCYSKGFT-AWEZNQCLSA-N	267.325	1.450	10	20	CDCD	
Cc1ccc(O)c(CNC2CCN(C(=O)N(C)C)CC2)c1	858238070	TUJPJBFTZZTMEA-UHFFFAOYSA-N	291.395	1.936	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)OCCCCO	759595037	PJOPVJXLADMVTJ-GQCTYLIASA-N	252.266	1.427	10	20	CDCD	
COC(=O)c1ccc(C(=O)NCc2ccccc2O)cn1	769363110	OJWQRERJFSIISN-UHFFFAOYSA-N	286.287	1.504	10	20	CDCD	
COc1cc(CN(C)[C@H]2CCN(C)C2=O)c(O)cc1C	768445830	JRXUQXCDSDBGFG-LBPRGKRZSA-N	278.352	1.372	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccnc1O	763282615	ZTCMZBZHJASJCJ-SECBINFHSA-N	288.303	1.559	10	20	CDCD	
CCN(C)c1ccc(CN2C[C@@H](O)C[C@]2(C)CO)cc1	878983903	OEEXECLFYZPGNG-JKSUJKDBSA-N	278.396	1.460	10	20	CDCD	
COc1cccc(CN2CCC(O)(C(F)F)CC2)c1O	779207319	QNZGFNKWZQFMOZ-UHFFFAOYSA-N	287.306	1.993	10	20	CDCD	
C[C@H]1CO[C@@H](CO)CN1Cc1cc(F)ccc1O	779034166	PLBNUSKYTILRCJ-JOYOIKCWSA-N	255.289	1.113	10	20	CDCD	
C[C@@H](N[C@@H]1CCOC[C@H]1O)c1cc(F)ccc1O	872140850	AVJIAQPCSSBWSX-XTWCZFFVSA-N	255.289	1.332	10	20	CDCD	
CCn1ncc(C(=O)NCCc2ccc(N)cc2)c1C	876528500	RRYWQDSCYJMHPQ-UHFFFAOYSA-N	272.352	1.766	10	20	CDCD	
CCOc1ccc(CN2C[C@@H]3CNC[C@@H]3C2)c(O)c1	770395727	UKXPYMDENSAIFY-BETUJISGSA-N	262.353	1.442	10	20	CDCD	
CN1CCN(c2ccc(CNCc3cn(C)cn3)cc2)CC1	883283595	LHKFVHNLLXAEKY-UHFFFAOYSA-N	299.422	1.462	10	20	CDCD	
COc1cc(O)c(CN2C[C@H](C)N(C)C[C@H]2C)cc1OC	775985538	MURKAWZMANLBFC-NWDGAFQWSA-N	294.395	1.934	10	20	CDCD	
CCN(C[C@H]1CCOC1)C(=O)/C=C/c1ccc(O)c(O)c1	779499545	NBWWLNCJKMZEFB-DIECRNLCSA-N	291.347	1.996	10	20	CDCD	
COc1ccc(CNCCNC(=O)c2cn[nH]c2)cc1C	1124061602	YQQSOMOCWGNROW-UHFFFAOYSA-N	288.351	1.246	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@@]2(C)CCCOC2)c1	781350960	NZSUGMLNPHYWNG-HNNXBMFYSA-N	279.336	1.834	10	20	CDCD	
Cc1ccc(C(=O)Nc2cc(C)c(=O)n(C)c2)c(O)c1O	780983656	FYRJAFOPPXLOHT-UHFFFAOYSA-N	288.303	1.666	10	20	CDCD	
C[C@H]1C[C@H](NC(=O)N[C@H](C)c2ccccc2O)CCN1	892097858	SRTNHQPRVBWKAO-QJPTWQEYSA-N	277.368	1.893	10	20	CDCD	
Oc1ccc(Cl)c(F)c1CNCCCn1cncn1	790950176	WHPQYHJPEZHLPT-UHFFFAOYSA-N	284.722	1.956	10	20	CDCD	
COc1ccc(CNC(=O)N[C@H]2CCSC2)c(O)c1	792965672	OYMIJVMZNXJNLU-JTQLQIEISA-N	282.365	1.706	10	20	CDCD	
COc1ccc(CNC(=O)NOCCSC)c(O)c1	793250186	RGLZAOJUYNZSDZ-UHFFFAOYSA-N	286.353	1.495	10	20	CDCD	
COc1ccc(CNC(=O)COc2cccnc2)c(O)c1	794380225	WRMPCSPDSCBHMS-UHFFFAOYSA-N	288.303	1.491	10	20	CDCD	
NC(=O)C[C@@H]1CCN(Cc2cc(F)cc(F)c2O)C1	708444577	SBAPPXHAHXOEQJ-QMMMGPOBSA-N	270.279	1.368	10	20	CDCD	
CC(C)C(=O)NCCC1=CCN(c2cc(F)ncn2)CC1	1089807696	QBDVSDXIALLNNS-UHFFFAOYSA-N	292.358	1.915	10	20	CDCD	
NCCC(=O)NC[C@@H]1CCCCN1Cc1ccc(N)cc1	1352788517	FHLWWVYXNLZJCV-HNNXBMFYSA-N	290.411	1.088	10	20	CDCD	
Oc1ccc(CCNc2cccnc2-c2nn[nH]n2)cc1O	1609611132	OZKPNMYYMFKOAL-UHFFFAOYSA-N	298.306	1.328	10	20	CDCD	
CCOc1cccc(CNC[C@@]2(O)CCO[C@@H]2C)c1O	227976286	RVROYRDVFVEVSJ-ABAIWWIYSA-N	281.352	1.420	10	20	CDCD	
O=C(N[C@H]1C[C@H]2CC[C@@H]1N2)N1Cc2cccc(O)c2C1	1580754852	DRLXWDJJYSIGJB-WXHSDQCUSA-N	273.336	1.310	10	20	CDCD	
Oc1cc(F)c(F)cc1CNC[C@H]1CCC2(CNC2)O1	1580887925	BBBRNVNWPQXCQK-SNVBAGLBSA-N	284.306	1.281	10	20	CDCD	
C[C@@H](NCC1(C)COC1)c1cc(C(=O)O)ccc1O	1593247568	GLKLVCRGUAPJHD-SECBINFHSA-N	265.309	1.778	10	20	CDCD	
CO[C@H](CNCc1c(O)ccc(Cl)c1F)C(=O)O	1777146902	CZTLHNLOFMEUKW-SECBINFHSA-N	277.679	1.374	10	20	CDCD	
C[C@H](NC(=O)Cc1ccc(N)cc1)[C@H](C)N1CCOCC1	167685865	COKJNBDZOAWSER-STQMWFEESA-N	291.395	1.037	10	20	CDCD	
Oc1cccc(Cl)c1CN1CCn2cnnc2C1	156046814	OJIJZYLBMDSLFE-UHFFFAOYSA-N	264.716	1.653	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)C1(O)CCCCC1	157976301	ZMXONOORMYFZCF-UHFFFAOYSA-N	279.336	1.452	10	20	CDCD	
CCN(C(=O)Cc1ccc(N)cc1)[C@H]1CCCNC1	1122610066	QBTKLRMAIFGINA-AWEZNQCLSA-N	261.369	1.412	10	20	CDCD	
COCCN(C)CCNCc1ccc(C)cc1O	876995182	BJHWXCVJFUEJIT-UHFFFAOYSA-N	252.358	1.368	10	20	CDCD	
C[C@@H](NCCCN1CCN(C)CC1)c1ccccc1O	20128398	XUMAYFVUUAQTHJ-CQSZACIVSA-N	277.412	1.680	10	20	CDCD	
C[C@@H](CN1CCOCC1)NCc1cc(Cl)ccc1O	36933215	VFTFLDOKNZDTJO-NSHDSACASA-N	284.787	1.856	10	20	CDCD	
C[C@@H](CS(C)(=O)=O)N(C)Cc1cc(F)ccc1O	180150609	HSPLUADRLKFUKW-VIFPVBQESA-N	275.345	1.396	10	20	CDCD	
COc1ccc(CNCCN2CCC(O)CC2)cc1C	321851321	VVKRJFVMIWYKLT-UHFFFAOYSA-N	278.396	1.550	10	20	CDCD	
C[C@@H](NC(=O)N1CCC1)c1ccc(N2CCOCC2)cc1	65698250	RRPNAONIMJPJSS-CYBMUJFWSA-N	289.379	2.000	10	20	CDCD	
COc1cccc(CNc2ncnc3c2cnn3C)c1O	66812725	JCUPIYCMWBCRBX-UHFFFAOYSA-N	285.307	1.690	10	20	CDCD	
CCn1cc(NC(=O)NCc2cc(OC)ccc2O)cn1	172019594	XEUOJFTXGHCUGR-UHFFFAOYSA-N	290.323	1.939	10	20	CDCD	
COc1ccc(O)c(CN2CC[C@H]([C@@H](C)N)C2)c1	126905061	SIDALCANVWGRMT-MNOVXSKESA-N	250.342	1.570	10	20	CDCD	
CNC(=O)C(C)(C)CNCc1c(O)cccc1Cl	120213782	AFBDBALIGIESBN-UHFFFAOYSA-N	270.760	1.907	10	20	CDCD	
Cc1ccc(C(=O)N[C@H](C(N)=O)C(C)(C)C)c(O)c1O	182393148	HQOCKZNGUXTUEN-LLVKDONJSA-N	280.324	1.036	10	20	CDCD	
CC1=C(C(=O)NCc2ccc(O)c(O)c2)CCCO1	182538067	HXANHEFEPWVTMI-UHFFFAOYSA-N	263.293	1.798	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H]2CCN(C(C)C)C2=O)c(O)c1O	182450644	UJMZIJJFJRMYOP-LLVKDONJSA-N	292.335	1.145	10	20	CDCD	
C[C@H](CN1CCCC1=O)NCc1cc2c(cc1O)OCO2	42880247	KXBVKFSRXUFNGH-SNVBAGLBSA-N	292.335	1.221	10	20	CDCD	
NC(=O)C[C@H]1CCCN(Cc2cc3c(cc2O)OCO3)C1	93809209	RLICYLYOOFPNDW-SNVBAGLBSA-N	292.335	1.208	10	20	CDCD	
Cc1cccc(CN2CCS(=O)(=O)[C@@H](C)[C@@H]2C)c1O	180350612	WLZCSBXHBZCZNT-RYUDHWBXSA-N	283.393	1.708	10	20	CDCD	
C[C@H]1[C@H](C)CCC[C@H]1NC=C1C(=O)N(C)C(=O)N(C)C1=O	250150081	WMPBCYWNZXZHEZ-JFGNBEQYSA-N	293.367	1.335	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2CCC(O)CC2)c1O	278192420	IEWFUKMMJVNLFA-UHFFFAOYSA-N	282.296	1.266	10	20	CDCD	
C[C@H](NC[C@@H](O)CN1CCCC1)c1cc(F)ccc1O	273405888	OJWPFFJYTBWPHU-WCQYABFASA-N	282.359	1.639	10	20	CDCD	
CC[C@](C)(OC)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	280827104	OSECXOOVHIKVDU-BONVTDFDSA-N	281.352	1.960	10	20	CDCD	
C[C@@H](NC1CC1)C(=O)NCc1ccc2c(c1)CCCN2C	295170147	LISMIINEWHAROO-GFCCVEGCSA-N	287.407	1.826	10	20	CDCD	
CC(=O)C(=O)COC(=O)c1cc2ccc(C)cc2[nH]1	808483139	MIVJSJIFWFINKJ-UHFFFAOYSA-N	259.261	1.791	10	20	CDCD	
Cn1cncc1C(=O)NCCCSc1nccs1	809680110	KEQMRNDITVZKJQ-UHFFFAOYSA-N	282.394	1.789	10	20	CDCD	
Cn1cc(C(=O)NCc2ccc(N3CCCC3)cc2)nn1	808381810	UJCAEELZCJIDDB-UHFFFAOYSA-N	285.351	1.345	10	20	CDCD	
CN(C)c1ccc(CN2CC[C@@H](CS(C)(=O)=O)C2)cc1	292412361	ZPTGAOQSVOUUTR-CQSZACIVSA-N	296.436	1.619	10	20	CDCD	
CC(=O)C(=O)CSc1n[nH]c2nc3ccccc3n12	808011410	VWXOUCUCJLVUBY-UHFFFAOYSA-N	274.305	1.461	10	20	CDCD	
CC(=O)N[C@@H]1CCN(Cc2cc(Cl)c(F)cc2O)C1	817415404	SELLJZVLICLBHD-SNVBAGLBSA-N	286.734	1.895	10	20	CDCD	
COC[C@@](C)(O)CNCc1cc(Cl)c(F)cc1O	816549554	RCWIXGLPZVBCRL-LBPRGKRZSA-N	277.723	1.672	10	20	CDCD	
O=C(O)[C@@H]1CCCN1Cc1ccc(N2CCOCC2)cc1	821508817	HMKISIJNENIJRN-HNNXBMFYSA-N	290.363	1.572	10	20	CDCD	
CC(=O)O[C@@H]1CCCN(C(=O)c2c(F)ccc(O)c2O)C1	827217428	FNZOTPMATZEPPJ-SECBINFHSA-N	297.282	1.405	10	20	CDCD	
CC[C@H](C)C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1	832293636	ZKHFWJKIDFPFBB-SMDDNHRTSA-N	263.385	1.915	10	20	CDCD	
O=C(N[C@H]1C[C@H]2CCCCN2C1=O)c1cc(O)cs1	839791006	HYBSAENWJVJSSB-SCZZXKLOSA-N	280.349	1.337	10	20	CDCD	
O=C(O)[C@@H]1CCC[C@@H]1NCc1cc2c(cc1O)OCO2	904268903	MXOUZESQVXSOLT-ZJUUUORDSA-N	279.292	1.464	10	20	CDCD	
O=C(NCCCO[C@@H]1CCCCO1)c1cccc(O)c1O	839750178	LKBQZSGCEKOVJQ-CYBMUJFWSA-N	295.335	1.761	10	20	CDCD	
Cc1cc(CNC(=O)N(C)Cc2ccccc2O)n[nH]1	739021496	VCGKDWXGAYKWDA-UHFFFAOYSA-N	274.324	1.765	10	20	CDCD	
CC[C@@H](NC(=O)NCc1ccc(N(C)C)cc1)[C@H](C)O	836236820	UQSNGLCPFULACJ-SMDDNHRTSA-N	279.384	1.711	10	20	CDCD	
O=C(CCOC[C@@H]1CCCO1)NCc1ccc(O)cc1O	910951347	FYIVECTUUZZFRF-ZDUSSCGKSA-N	295.335	1.300	10	20	CDCD	
CC(=O)NCCN(C)Cc1cc(Cl)c(F)cc1O	843428414	WOMJSDQVCLMYOF-UHFFFAOYSA-N	274.723	1.753	10	20	CDCD	
C[C@H]1C[C@@H](NCc2cc3c(cc2O)OCO3)CCN1	841062207	SXWLWQGFWZOVHJ-ONGXEEELSA-N	264.325	1.351	10	20	CDCD	
CCOc1ccc(CN2CC[C@H](C(=O)N(C)C)C2)c(O)c1	840956989	CGVKWOGCUICLJE-ZDUSSCGKSA-N	292.379	1.701	10	20	CDCD	
CC1(C)CN(C(=O)Nc2ccc(N)cc2)CCN1CCO	841296845	ZUABTUAWVKAUSU-UHFFFAOYSA-N	292.383	1.189	10	20	CDCD	
COCC[C@@H](C)CNC(=O)/C=C/c1ccc(O)c(O)c1	840493822	HZFMRVDZOMTKRI-DUMNWFOQSA-N	279.336	1.900	10	20	CDCD	
CN(C[C@H](O)C1CC1)C(=O)NCCc1ccc(N)cc1	841956691	DXWRMJUWVMDQAO-AWEZNQCLSA-N	277.368	1.224	10	20	CDCD	
C[C@H]1CN(C(=O)Nc2ccc(N)cc2)C[C@@H](C)N1CCO	841298165	MZGUYTODRVGCMQ-TXEJJXNPSA-N	292.383	1.188	10	20	CDCD	
OC/C=C\CNCc1ccc(N2CCOCC2)c(F)c1	850357531	MNWNTBUXPVNZOR-UPHRSURJSA-N	280.343	1.300	10	20	CDCD	
CNC(=O)[C@H]1CCC[C@H]1NCc1c(O)cccc1OC	765794528	DBYUWEQVNRPQIZ-CMPLNLGQSA-N	278.352	1.405	10	20	CDCD	
Nc1ccc(CCNC(=O)C(=O)NCC2CC=CC2)cc1	861776873	NZOCJRDXEOUUSZ-UHFFFAOYSA-N	287.363	1.010	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CCOC(=O)N2)c1	860243191	ZLZPWGICZCGSLY-KCJUWKMLSA-N	294.307	1.077	10	20	CDCD	
Cc1ncc(NC(=O)NCCc2ccc(O)c(O)c2)cn1	761635040	CTWRHAGIQIHZBQ-UHFFFAOYSA-N	288.307	1.560	10	20	CDCD	
C[C@@H]1OCCN(Cc2cc3c(cc2O)OC[C@@H]3O)[C@H]1C	768463377	SHOBXWBXPMSRKO-BHDSKKPTSA-N	279.336	1.427	10	20	CDCD	
CNC(=O)[C@H]1CCCN(Cc2c(O)cccc2OC)C1	769402908	DSLZVHUNECJJEC-NSHDSACASA-N	278.352	1.359	10	20	CDCD	
O=C(NCc1cccc(Br)c1O)c1cn[nH]c1	765770392	PZGQFMRGWWITJF-UHFFFAOYSA-N	296.124	1.808	10	20	CDCD	
Cc1cccc(O)c1CNC[C@H](O)COCC(C)C	876966592	WZDFLUAZAMJIAE-ZDUSSCGKSA-N	267.369	1.824	10	20	CDCD	
COC(=O)[C@H](C)CN(C)Cc1ccc(C)cc1O	876617248	IGDZRQZYQACRKB-LLVKDONJSA-N	251.326	1.942	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NC2COC(C)(C)OC2)c1	875489049	GQNJUFOCTGFXOL-UHFFFAOYSA-N	294.351	1.651	10	20	CDCD	
COc1cccc([C@H](C)NCc2nonc2C)c1O	872136439	LDRBJQIXLZEUAY-QMMMGPOBSA-N	263.297	1.943	10	20	CDCD	
CN(C)c1nc(NCc2cc(F)cc(F)c2O)n[nH]1	883118002	MRUUPVPFQHBYDX-UHFFFAOYSA-N	269.255	1.467	10	20	CDCD	
O=C(CC[C@@H]1CCOC1)NCc1cccc(O)c1O	1123887408	BYEYICXATBMQQM-SNVBAGLBSA-N	265.309	1.531	10	20	CDCD	
C[C@@H]1C[C@@H](C(=O)NCc2ccc(N(C)C)cc2)CO1	784029711	FRUDOQGIULWECY-DGCLKSJQSA-N	262.353	1.794	10	20	CDCD	
COc1cccc(CNC(=O)Cc2c(C)n[nH]c2C)c1O	787131154	JVIAAVFFIGGAHY-UHFFFAOYSA-N	289.335	1.600	10	20	CDCD	
CC[C@@H](F)C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1	1121809520	FURSUDSGXUBSHV-CHWSQXEVSA-N	267.348	1.617	10	20	CDCD	
COc1cc(C)cc(CN[C@H]2COC[C@@H]2C)c1O	896732879	LKZUGQBDHZFVCI-JQWIXIFHSA-N	251.326	1.834	10	20	CDCD	
COc1cc(C)cc(CNC[C@H]2CCCO2)c1O	894146754	VYVVSVSQNDODCP-GFCCVEGCSA-N	251.326	1.978	10	20	CDCD	
COc1cc(Cl)cc(CN2C[C@H](C)[C@@H](O)C2)c1O	897681483	VWFSETCYZZBRGY-KWQFWETISA-N	271.744	1.867	10	20	CDCD	
CCn1nncc1CNCc1cc(C)cc(OC)c1O	895389526	PMDHLHFDHYUTEF-UHFFFAOYSA-N	276.340	1.610	10	20	CDCD	
CCCCN(C)S(=O)(=O)Nc1ccc(O)cc1F	184622173	IGRCUVJHWQPRHU-UHFFFAOYSA-N	276.333	1.920	10	20	CDCD	
COC/C=C/C(=O)N1CCOc2cc(N(C)C)ccc21	791372258	BOZAXMADTRKVJM-SNAWJCMRSA-N	276.336	1.681	10	20	CDCD	
CCCNC(=S)NCc1ccc(OC)cc1O	795030919	FTFCIKJNXSDDCN-UHFFFAOYSA-N	254.355	1.775	10	20	CDCD	
CCOC(=O)C[C@H](C)NC(=O)c1cccc(O)c1O	791116869	DPWFMDDRRCPBMW-QMMMGPOBSA-N	267.281	1.169	10	20	CDCD	
COc1cccc(O)c1CN[C@@H]1CCn2ccnc2C1	778188115	RDYPRRKRXCAGJH-LLVKDONJSA-N	273.336	1.702	10	20	CDCD	
CCC(=O)N1CC[C@H](NC(=O)NCc2ccc(N)cc2)C1	1336067323	SXIBFDWZMAYZOL-ZDUSSCGKSA-N	290.367	1.079	10	20	CDCD	
CN(C)c1ccc(CN[C@H](Cc2cc[nH]n2)C(=O)O)cc1	1335616057	MVXDSVIWXPIIBW-CQSZACIVSA-N	288.351	1.261	10	20	CDCD	
C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)NCc2ccc(N)cc2)C1	1342020902	KSBNGWJUXOUYPN-QMTHXVAHSA-N	284.363	1.974	10	20	CDCD	
CCCN1CCC[C@@H]1C(=O)NCc1ccc(N)cc1	1356228817	VDLSJTXOJPHEFC-CQSZACIVSA-N	261.369	1.759	10	20	CDCD	
C[C@H](NCC(C)(C)CO)c1cc(C(=O)O)ccc1O	1609771159	BZDUNADSBVZPLM-VIFPVBQESA-N	267.325	1.760	10	20	CDCD	
CCC(CC)(NC(=O)Cc1ccc(O)c(O)c1)C(=O)O	1605010099	BIULWJSQTGUXBR-UHFFFAOYSA-N	281.308	1.400	10	20	CDCD	
NC[C@@]12CC[C@@H]1CCN2Cc1ccc(F)c(F)c1O	1580253407	LZKLHYRQYAQKSM-YGRLFVJLSA-N	268.307	1.984	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)N[C@@H](C(=O)O)C(C)C)c1	1593882933	INSKGIZACVPBBL-NOZJJQNGSA-N	295.335	1.939	10	20	CDCD	
Oc1cc2c(cc1CNC[C@H]1CCC[C@@H](O)C1)OCO2	230667406	ATGKNDLAMUYFSB-CMPLNLGQSA-N	279.336	1.762	10	20	CDCD	
O=C(O)[C@H]1CSCCN(Cc2ccccc2O)C1	901892683	VKUNJQGHSPWBHG-LLVKDONJSA-N	267.350	1.642	10	20	CDCD	
COCCOCCNCc1ccc2c(c1)CCCO2	921591851	HKOXSKMAUMEJAF-UHFFFAOYSA-N	265.353	1.764	10	20	CDCD	
Cc1ccc([C@H](C)NCC(=O)NCC(F)F)c(O)c1	280812555	JJALZIHCXCBPIQ-VIFPVBQESA-N	272.295	1.733	10	20	CDCD	
Cc1cccc(CN[C@@H](C)C(=O)N2CCCC2)c1O	135778416	UNHSPYAXZNOJLN-LBPRGKRZSA-N	262.353	1.801	10	20	CDCD	
COc1cccc(CNC(=O)c2cncc(O)c2)c1O	111597757	VRVRERBFHJWYEO-UHFFFAOYSA-N	274.276	1.431	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@H](C)OCC2CC2)c1	114543520	XRVHVDOQVVRGPZ-JTQLQIEISA-N	279.336	1.832	10	20	CDCD	
CCN(CC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)C1CC1	186433798	BIRPISZMHUCHCR-NSHDSACASA-N	292.379	1.629	10	20	CDCD	
C[C@@]1(O)CCCN(Cc2cc3c(cc2O)OCO3)C1	129559265	RXDVZDYVTWPAFX-CQSZACIVSA-N	265.309	1.468	10	20	CDCD	
C[C@H]1CN(C(=O)Nc2ccc(N)cc2)C[C@@H](C)N1C	127141409	IVEKZXUFKQEQMV-PHIMTYICSA-N	262.357	1.825	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NCC1CCOCC1	181002385	KHUFSPHSKABYPC-DUXPYHPUSA-N	277.320	1.654	10	20	CDCD	
Cc1nc(C(=O)NCCCSc2nccs2)no1	136757620	OYQXPXCVXSFUSE-UHFFFAOYSA-N	284.366	1.747	10	20	CDCD	
CCNC(=O)NCc1ccc(N2CCOCC2)cc1	48921280	PCUYWLXXPZIYEO-UHFFFAOYSA-N	263.341	1.342	10	20	CDCD	
COCCN(CC(=O)O)Cc1cc(Cl)ccc1O	86803783	JHIYEHSFBBWNAE-UHFFFAOYSA-N	273.716	1.579	10	20	CDCD	
CN1C[C@H](NCc2c(O)cccc2Cl)CC1=O	264999326	ZBUZNBBGEBZMSR-MRVPVSSYSA-N	254.717	1.366	10	20	CDCD	
CC1(NC(=O)c2cc(NS(C)(=O)=O)ccc2O)CCC1	93246203	CLFRWHYTTYJGRP-UHFFFAOYSA-N	298.364	1.436	10	20	CDCD	
CNCCCC(=O)N1CCOc2cc(N(C)C)ccc21	237128786	YYOVWESOJGGLNH-UHFFFAOYSA-N	277.368	1.478	10	20	CDCD	
O=S(=O)(C1CC1)N1CCN(Cc2ccccc2O)CC1	529640374	MHDQIJVGKIGAMW-UHFFFAOYSA-N	296.392	1.002	10	20	CDCD	
COc1ccc(O)c(CN2CC[S@](=O)C[C@H](C)C2)c1	369350769	WOPYMOCCGZBGBR-WYRIXSBYSA-N	283.393	1.601	10	20	CDCD	
C[C@@H](CN(C)C)NCc1cc(Cl)cc([N+](=O)[O-])c1O	289944060	BGWLVICXXWXHRP-QMMMGPOBSA-N	287.747	1.994	10	20	CDCD	
OC[C@@]1(F)CCCN(Cc2cc3c(cc2O)OCO3)C1	289816669	NXWLKBJRJDMKHC-CQSZACIVSA-N	283.299	1.417	10	20	CDCD	
COc1ccc2c(c1)CCCCN2Cc1nnn(C)n1	281548986	BWTYCSBOSWJNBE-UHFFFAOYSA-N	273.340	1.562	10	20	CDCD	
COc1cccc(CNC(=O)OC[C@H]2CCCO2)c1O	288134411	MWVGURICWOTAMR-LLVKDONJSA-N	281.308	1.806	10	20	CDCD	
CC(C)OC(=O)CCCNC(=O)c1c(F)ccc(O)c1O	296392963	VCZNVVKYUKGBMJ-UHFFFAOYSA-N	299.298	1.699	10	20	CDCD	
COC(=O)c1cnc(SCC(=O)[C@@H]2CCOC2)s1	295261804	IQKMPTVJJBWPHI-SSDOTTSWSA-N	287.362	1.627	10	20	CDCD	
CC(=O)C(=O)COC(=O)c1cc(Cl)ccc1O	808487861	JYMWEQZHKRZRMK-UHFFFAOYSA-N	256.641	1.361	10	20	CDCD	
O=S(=O)(Nc1ccc(O)cc1)c1cccc2c1OCO2	800831251	FHPBCSDYJXDIBF-UHFFFAOYSA-N	293.300	1.922	10	20	CDCD	
CCOC[C@H](O)CSc1ncc(C(=O)OC)s1	296369351	VPKRYQHVNDHTHP-ZETCQYMHSA-N	277.367	1.419	10	20	CDCD	
CCN(CC)CCCOC(=O)c1cccc(O)c1O	800203580	PEIQGZSXYQVUKF-UHFFFAOYSA-N	267.325	1.987	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cn(C)cn1	819761100	MTYZVIINFJQEJR-UHFFFAOYSA-N	280.324	1.541	10	20	CDCD	
CCOc1ccc(CN[C@H]2CCC(=O)N(C)C2=O)c(O)c1	818233887	QEOFEZULEXRYIX-LBPRGKRZSA-N	292.335	1.028	10	20	CDCD	
C[C@@H](NCCCN1CCNCC1)c1ccc(N(C)C)cc1	817937642	YSPAKWAKVMBQTF-OAHLLOKOSA-N	290.455	1.699	10	20	CDCD	
CCO[C@@H]1COC[C@H]1NCc1cc(OC)c(OC)cc1O	825196459	HBJLNAWLDBCVTB-IAQYHMDHSA-N	297.351	1.303	10	20	CDCD	
CO[C@@H]1CCOC[C@H]1N[C@H](C)c1ccc(F)cc1O	724888653	CIOQFOOYFLBVFP-GAJTVXKRSA-N	269.316	1.986	10	20	CDCD	
C[C@H]1C[C@@H](NC(=O)c2c(F)ccc(O)c2O)CCN1C	826076680	IZXRSAKATKTNOO-IUCAKERBSA-N	282.315	1.449	10	20	CDCD	
OC[C@H]1CCN(Cc2ccc(Br)cc2O)C1	824655957	CNOBGMWTCIFIGE-VIFPVBQESA-N	286.169	1.969	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N1CC[C@@]2(CCOC2)C1	588404693	BPVFEWZWFKAVMP-ZENLRNHISA-N	289.331	1.750	10	20	CDCD	
COc1ccc(CNC(=O)O[C@@H]2CCOC2)c(O)c1	915164031	KNRFGCFJVHHDHR-LLVKDONJSA-N	267.281	1.416	10	20	CDCD	
C[C@H]1CCN(Cc2cccc(F)c2O)C[C@H]1CN	841100532	HCLNCBUIHSIMGI-CMPLNLGQSA-N	252.333	1.948	10	20	CDCD	
COc1ccc(O)c(CN[C@@H](C(=O)O)c2ccnn2C)c1	843039339	PMDMXNZCKTZQPU-CYBMUJFWSA-N	291.307	1.050	10	20	CDCD	
CC[C@@H]1C[C@H](C)CN1C(=O)C(=O)Nc1ccc(N)cc1	841057224	YWBUTRZZCTUTBD-GXFFZTMASA-N	275.352	1.854	10	20	CDCD	
C[C@@H]1C[C@@H](C(=O)N(CC(=O)O)Cc2ccccc2O)CO1	911493229	LFTVXTFMBXNRKH-ZYHUDNBSSA-N	293.319	1.230	10	20	CDCD	
COc1cc(C)cc(CN2CCC(O)CC2)c1O	915831885	PSRHRHNXYANCEW-UHFFFAOYSA-N	251.326	1.666	10	20	CDCD	
Cc1ccc(O)c(CN2C[C@@H](CN)C3(CCOCC3)C2)c1	843125044	MBFOLMYLNZHUAS-OAHLLOKOSA-N	290.407	1.888	10	20	CDCD	
CCc1cccc(CN2CCOC[C@@H]2CC(=O)OC)c1O	848912832	XLVWJAQFURMVHW-AWEZNQCLSA-N	293.363	1.719	10	20	CDCD	
C[C@@H]1CC[C@@H](C)N1C(=O)C(=O)Nc1ccc(N)cc1	841113187	QMPVHILEFZIVOY-NXEZZACHSA-N	261.325	1.607	10	20	CDCD	
C[C@H](CCO)N(C)Cc1cc2c(cc1O)OCO2	846111804	RJXGUGXRTQADDL-SECBINFHSA-N	253.298	1.324	10	20	CDCD	
COc1ccc(CNC(=O)NC[C@@H]2CCCNC2)c(O)c1	841928137	RSXJMBZWVNFZHA-LLVKDONJSA-N	293.367	1.200	10	20	CDCD	
CC[C@H](C)N(CC)Cc1cc(O)n2ncc(C(=O)O)c2n1	849344437	MDVPIINUQUUIEV-VIFPVBQESA-N	292.339	1.754	10	20	CDCD	
CC1(C)CN(C(=O)C(=O)Nc2ccc(N)cc2)CCS1	841065561	ZZNLMNVQAHMGIT-UHFFFAOYSA-N	293.392	1.561	10	20	CDCD	
O=C1CCCN1CCNCc1cc([N+](=O)[O-])ccc1O	846077047	LAYDZLBZULRUEP-UHFFFAOYSA-N	279.296	1.012	10	20	CDCD	
CCCOC(=O)[C@H](C)OC(=O)c1cccc(O)c1O	758571128	CNLLMKZQTXXOIQ-QMMMGPOBSA-N	268.265	1.596	10	20	CDCD	
O[C@@H]1CCN(CCNCc2ccc3c(c2)CCCO3)C1	922294001	IXDQEDISSTVVGZ-OAHLLOKOSA-N	276.380	1.168	10	20	CDCD	
C[C@H](NC[C@H]1C[C@@H](O)C1)c1cc([N+](=O)[O-])ccc1O	858544428	WMBCJXXXKRWJNC-ATZCPNFKSA-N	266.297	1.722	10	20	CDCD	
CNC(=O)[C@@H]1CCC[C@@H]1N[C@@H](C)c1cc(OC)ccc1O	756776063	VHVJWAMSSJCSND-SUHUHFCYSA-N	292.379	1.966	10	20	CDCD	
COC[C@](C)(O)CN[C@H](C)c1cc(C(=O)OC)ccc1O	756578883	XJHKVDBYIGOJRC-MEBBXXQBSA-N	297.351	1.227	10	20	CDCD	
O=C(OCCN1C[C@@H]2CC[C@H](C1)O2)c1cc(O)cs1	767535519	DDBNQVXZXXURGA-PHIMTYICSA-N	283.349	1.474	10	20	CDCD	
CCN(CC)c1ccc(CNC[C@H]2COCCN2)cc1	863484074	SUVJAULKBYZTBL-HNNXBMFYSA-N	277.412	1.611	10	20	CDCD	
C[C@H](C[S@@](C)=O)NC(=O)N[C@H](C)c1ccccc1O	868494138	LQIXIWQDPPVYNR-QVMDTKBZSA-N	284.381	1.519	10	20	CDCD	
CCOc1ccc(CNCCc2cnccn2)c(O)c1	774833260	QYJSFRRVWSGFTD-UHFFFAOYSA-N	273.336	1.913	10	20	CDCD	
CNC[C@@H](C)CNCc1ccc(N2CCOCC2)c(F)c1	1117953456	HNLGOGPJJJJSQX-CYBMUJFWSA-N	295.402	1.607	10	20	CDCD	
CCCN(CCO)Cc1ccc(N2CCN(C)CC2)cc1	775642455	HWHZHJMDGBOHQI-UHFFFAOYSA-N	291.439	1.643	10	20	CDCD	
CC(C)CNC(=O)[C@@H](C)OC(=O)c1cccc(O)c1O	776281282	BACDSMQRIKGNLJ-SECBINFHSA-N	281.308	1.415	10	20	CDCD	
CCN(Cc1cc(F)cc(C(C)=O)c1O)[C@@H]1CCNC1	886856082	FPRXIFFBBMJFCG-CYBMUJFWSA-N	280.343	1.918	10	20	CDCD	
C[C@H]1Cn2nc(C(=O)N(C)c3ccc(N)cc3)cc2CN1	1122173778	LSRVHJCPEBWYTP-JTQLQIEISA-N	285.351	1.234	10	20	CDCD	
O=C(COC(=O)[C@@H]1CCCCO1)c1ccc(O)c(O)c1	784287527	SYUAJWHCUKBZLI-ZDUSSCGKSA-N	280.276	1.393	10	20	CDCD	
CNC(=O)[C@H]1CCC[C@@H]1NC(=O)c1ccc(C)c(O)c1O	780998886	CFKOFXZMKPMTEA-ONGXEEELSA-N	292.335	1.051	10	20	CDCD	
COc1ccc(CN(C)Cc2cnccn2)c(O)c1OC	891823659	XSYNWTZDGWXSAU-UHFFFAOYSA-N	289.335	1.831	10	20	CDCD	
COc1ccc(CN2CCN(C)CC2(C)C)c(O)c1OC	892056371	QWOPZZWPGOWCQZ-UHFFFAOYSA-N	294.395	1.935	10	20	CDCD	
Cc1nonc1CN1CCOc2cc(N(C)C)ccc21	271732821	UPJTWCVJXNFXRY-UHFFFAOYSA-N	274.324	1.843	10	20	CDCD	
COCC1(N(C)C(=O)c2cccc(O)c2O)CC1	706365916	RVPVUAHZMHUTSK-UHFFFAOYSA-N	251.282	1.349	10	20	CDCD	
COc1cccc(O)c1CNC[C@H]1CC[C@@H](O)C1	788971988	STJDNAGWNGKDCW-WDEREUQCSA-N	251.326	1.651	10	20	CDCD	
CC[C@@H](C)[C@H](C)NC(=O)C(=O)N(C)Cc1ccccc1O	1323055947	GCAVWCYKJSACRA-NEPJUHHUSA-N	292.379	1.901	10	20	CDCD	
C[C@@](NCc1ccc2c(c1)CCO2)(C(=O)O)C1CC1	1776450371	SAHSVMNDOWWJJR-HNNXBMFYSA-N	261.321	1.964	10	20	CDCD	
NCCCSCCC(=O)NCc1ccc(N)cc1	1343579318	ZXFJEAWYXFZWPL-UHFFFAOYSA-N	267.398	1.357	10	20	CDCD	
CN(C(=O)NCc1ccc(N)cc1)C1CCNCC1	1338793111	LOKGJPTXRNMRKA-UHFFFAOYSA-N	262.357	1.162	10	20	CDCD	
Nc1ccc(CNC(=O)N[C@@H]2CC[C@@H]3CNC[C@H]3C2)cc1	1336909291	OKRYQXAUPJTZSF-UMVBOHGHSA-N	288.395	1.456	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1C[C@H]1F	1348212299	KCKAQBVBNOBPIA-FKTZTGRPSA-N	253.273	1.503	10	20	CDCD	
CC[C@@H](C(=O)O)C(=O)NCc1cccc(Cl)c1O	1604877912	DHLXKCXUUIKYMX-MRVPVSSYSA-N	271.700	1.773	10	20	CDCD	
Nc1ccc(C(=O)NCc2ccc(O)cc2O)c(O)c1	1580440046	MGIBEUBGAHZCKJ-UHFFFAOYSA-N	274.276	1.316	10	20	CDCD	
CC(C)[C@@H](C(=O)O)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	1589079192	NRDFRTFXWXTGAT-TVQRCGJNSA-N	295.335	1.502	10	20	CDCD	
CC[C@H](CNCc1ccc([N+](=O)[O-])c(OC)c1O)C(=O)O	1589551800	FDMRMFYINUCVAK-MRVPVSSYSA-N	298.295	1.509	10	20	CDCD	
CCn1cc(CSc2ncc(C(=O)O)s2)nn1	1597890047	CIWVFDMNEOOWBT-UHFFFAOYSA-N	270.339	1.745	10	20	CDCD	
C[C@@H]1C[C@](NCc2ccc3c(c2)CCO3)(C(=O)O)CCO1	1776600595	INFNEVUQWZTXBD-BZNIZROVSA-N	291.347	1.733	10	20	CDCD	
CC[C@H](C)CS(=O)(=O)NCc1cc(OC)ccc1O	151354935	NRHTYKPGPNAEJK-JTQLQIEISA-N	287.381	1.866	10	20	CDCD	
C[C@@H](NCCO[C@@H]1CCOC1)c1ccccc1O	927083101	DRYVCYSETSYAMK-VXGBXAGGSA-N	251.326	1.848	10	20	CDCD	
C[C@@H](O)[C@H]1CCCN1C(=O)c1cccc(O)c1O	855870174	WNWHNXONEXENFI-PSASIEDQSA-N	251.282	1.083	10	20	CDCD	
C[C@@H](NCc1cc2c(cc1O)OCO2)[C@H](O)C(F)(F)F	865712217	YBMXLDKPVOVWLL-KBUNVGBDSA-N	293.241	1.522	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CC[C@@H]2CCNC2)cc1	134539648	HTTKOWQRUADDDC-CQSZACIVSA-N	275.396	1.759	10	20	CDCD	
Cc1cccc(O)c1CN1CCCS(=O)(=O)CC1	876727860	UDRQIJBXSYECMJ-UHFFFAOYSA-N	269.366	1.321	10	20	CDCD	
CCN1CC[C@H](CNC(=O)Cc2ccc(N)cc2)C1	37643441	YZLRQRDEBTYOMX-CYBMUJFWSA-N	261.369	1.269	10	20	CDCD	
COc1cc(Cl)cc(CN(C)[C@H]2CCN(C)C2=O)c1O	273752163	NROAEEHDJNCIBK-NSHDSACASA-N	298.770	1.717	10	20	CDCD	
Cc1ccc(O)c([C@@H](C)NCC(=O)NCC2CC2)c1	186505154	VJPAQAHCGYHZNC-LLVKDONJSA-N	262.353	1.877	10	20	CDCD	
Cc1ccc(C(=O)N2CC[C@@H]3CC[C@@H](C2)N3C)c(O)c1O	179531155	HRCQJTGAVACQKE-RYUDHWBXSA-N	290.363	1.715	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)[C@H]1COCCO1	66096385	WAGOLNFZPANXAC-CQSZACIVSA-N	279.336	1.546	10	20	CDCD	
CCO[C@H](C)C(=O)NCc1ccc(N2CCOCC2)cc1	65516214	URWAEWQKBLDFQK-CYBMUJFWSA-N	292.379	1.564	10	20	CDCD	
C[C@@H](NCC(C)(C)C(N)=O)c1ccc(F)c(F)c1O	187827747	DRTOLGPURSYVOE-SSDOTTSWSA-N	272.295	1.833	10	20	CDCD	
CN(C)c1ccc(CN(C)[C@H]2CCCCNC2=O)cc1	360306287	WBLHYDRINGPOBO-HNNXBMFYSA-N	275.396	1.853	10	20	CDCD	
Cc1ccc(C(=O)N(C)[C@H]2CCSC2)c(O)c1O	182907965	IMBWCHKCODTQBJ-VIFPVBQESA-N	267.350	1.984	10	20	CDCD	
Cc1ccc(C(=O)N(C)CC[C@H](C)O)c(O)c1O	182549632	HZOIIIOFHATLIB-VIFPVBQESA-N	253.298	1.249	10	20	CDCD	
COC(=O)CN(Cc1ccccc1O)C[C@H]1CCCO1	72952762	ZNDJHEPVZMZRKK-CYBMUJFWSA-N	279.336	1.546	10	20	CDCD	
CCCNC(=O)CN1CCOc2cc(N(C)C)ccc21	175029547	GICYCBGFPCDWQV-UHFFFAOYSA-N	277.368	1.478	10	20	CDCD	
CNC(=O)[C@H](C)CN(C)Cc1cc(C)ccc1O	93899533	PXOZMAMVSANRDL-LLVKDONJSA-N	250.342	1.515	10	20	CDCD	
OCCOCCN(Cc1ccccc1O)C[C@H]1CCCO1	265809856	PTFAONQCLRBTMD-OAHLLOKOSA-N	295.379	1.382	10	20	CDCD	
COc1ccc(O)c(CN(CCO)Cc2cccnc2)c1	271732854	NNCIFWFYLHAKKB-UHFFFAOYSA-N	288.347	1.790	10	20	CDCD	
C[C@H](CO)CN[C@@H](C)c1cc([N+](=O)[O-])ccc1O	273426614	UHZCKPMMENULJQ-IUCAKERBSA-N	254.286	1.579	10	20	CDCD	
COC(=O)[C@H](C)NCc1cc(Cl)cc([N+](=O)[O-])c1O	272434756	RKHOPFNEEBSIFG-LURJTMIESA-N	288.687	1.605	10	20	CDCD	
CCOc1ccc(O)c([C@@H]2NC(=O)[C@H]3CSCCN32)c1	270815695	QVAKDRYTNWTNNO-DGCLKSJQSA-N	294.376	1.337	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(C)(F)F	289064400	BBVVTLFGUPFYEE-SSDOTTSWSA-N	259.252	1.800	10	20	CDCD	
COc1cc(O)c(CN2CC[C@H](CC(N)=O)C2)cc1OC	377192948	MUNFHCPWVBFJBS-SNVBAGLBSA-N	294.351	1.107	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@]23CCC[C@@H]2CNC3)cc1	280800733	KTDLRPUWBYSDFY-PBHICJAKSA-N	287.407	1.759	10	20	CDCD	
C[C@H]1CN(Cc2c(O)ccc3ccccc23)CC(=O)N1	295019074	NBHIRSKMYWSFEO-NSHDSACASA-N	270.332	1.866	10	20	CDCD	
CC(=O)C(=O)COC(=O)c1c(C)[nH]c2ccccc12	808491546	QHYUFLXERGQZFS-UHFFFAOYSA-N	259.261	1.791	10	20	CDCD	
NC(=O)C(=O)Nc1cccc(NCc2ccccc2O)c1	800893596	VPENDASWCGVIFI-UHFFFAOYSA-N	285.303	1.428	10	20	CDCD	
COc1ccc(CNC(=O)NOC/C=C\Cl)c(O)c1	811981756	HWCFEQLILDTZGJ-DJWKRKHSSA-N	286.715	1.884	10	20	CDCD	
N[C@@H]1CCCC[C@H]1NCc1cc2c(cc1O)OCO2	818431448	NDMAJQHCQMPEAN-GHMZBOCLSA-N	264.325	1.480	10	20	CDCD	
C[C@H]1CN(Cc2cc(F)ccc2O)C[C@]1(C)CO	827700244	QTMRAKFJFMXELJ-IINYFYTJSA-N	253.317	1.982	10	20	CDCD	
CCOc1ccc(CN2CCCN(C=O)CC2)c(O)c1	827878064	ZVXPQOYAKDHAOT-UHFFFAOYSA-N	278.352	1.455	10	20	CDCD	
Cn1nccc1C(=O)NCCCSc1nccs1	733884349	RKFRAWPVHOZKJT-UHFFFAOYSA-N	282.394	1.789	10	20	CDCD	
COc1ccc(O)c(CNC(=O)COC2CCCC2)c1	734018655	AHQBDSFGMHEORF-UHFFFAOYSA-N	279.336	1.976	10	20	CDCD	
CCC(CC)(CO)C(=O)NCc1ccc(O)c(O)c1	847591121	QAGWTXNYELVMPR-UHFFFAOYSA-N	267.325	1.513	10	20	CDCD	
O=C(O)CN(Cc1ccccc1O)C(=O)[C@H]1CCSC1	911488839	OEDZLPWIOKMKSU-NSHDSACASA-N	295.360	1.559	10	20	CDCD	
CCO[C@@H]1C[C@@H](NC(=O)Nc2ccc(N)cc2)[C@@H]1OC	841296022	MTNIXEXYOIYWKN-UPJWGTAASA-N	279.340	1.583	10	20	CDCD	
CC[C@H](C(=O)N[C@H](C)c1cc(OC)ccc1O)[C@@H](C)O	842232915	WJXLVCQTALFPAT-FOGDFJRCSA-N	281.352	1.985	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CCC(CN)CC2)c1O	843345060	PBFSYTPTMIPZFY-UHFFFAOYSA-N	280.343	1.905	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)c1nnn(C)c1C	743330490	ZDGONTVRRMFDEW-UHFFFAOYSA-N	288.351	1.882	10	20	CDCD	
CC[C@@H](C)[C@H](N)C(=O)N[C@H](C)c1cc(OC)ccc1O	843489649	QZWHTMYSYGWKQV-RULNRJAQSA-N	280.368	1.951	10	20	CDCD	
CC(=O)c1cc(F)cc(CN(C)[C@@H]2CCNC2)c1O	843351127	FTQMWRAHOUFYOW-GFCCVEGCSA-N	266.316	1.528	10	20	CDCD	
CCOc1ccc(CNCc2cn(CC)nn2)c(O)c1	850366216	JWDCABUFECTXIG-UHFFFAOYSA-N	276.340	1.692	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H](C)C2(CO)CC2)c(O)c1O	855481303	PRIXFRJDDMAUCF-VIFPVBQESA-N	265.309	1.297	10	20	CDCD	
COC[C@H](CNCc1cc(F)c(N(C)C)cc1F)OC	858156990	AFPYVAWDHZPEDP-NSHDSACASA-N	288.338	1.782	10	20	CDCD	
CC[C@H](CO)N(C)CCN(C)c1ccc(OC)cc1	930852560	LIRPWTLOSAAIAN-CYBMUJFWSA-N	266.385	1.834	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H](C)[C@@H](O)CC	935945347	UJDSKCOIKAWYIN-QWRGUYRKSA-N	286.368	1.901	10	20	CDCD	
COC(=O)CCCC(=O)N[C@H](C)c1cc(OC)ccc1O	764462340	MZOSEKKSBMVFMK-SNVBAGLBSA-N	295.335	1.921	10	20	CDCD	
C[C@@H]1CN(Cc2ccc(N(C)C)cc2)C[C@@H](C(=O)O)O1	863475360	XOFHHPAZYMHKIU-RISCZKNCSA-N	278.352	1.427	10	20	CDCD	
CCOc1ccc(CN2C[C@@H](CO)OC[C@@H]2C)c(O)c1	770350141	FLVGEYUSMQTZIK-FZMZJTMJSA-N	281.352	1.373	10	20	CDCD	
C[C@H]1CO[C@@H](CO)CN1Cc1ccc(N(C)C)c(F)c1	770352542	OWVVWOCOQJAGHR-WCQYABFASA-N	282.359	1.473	10	20	CDCD	
COc1cc(C)cc(CN[C@H]2C(=O)NCC[C@@H]2C)c1O	894664149	VURSFGPMYPNTAM-GXFFZTMASA-N	278.352	1.323	10	20	CDCD	
COc1ccc(CN2CCC(O)CC2)c(O)c1OC	891491009	JTYCRFQMYTXVCO-UHFFFAOYSA-N	267.325	1.366	10	20	CDCD	
COC(=O)[C@H](CC(F)F)NCc1cc(F)cc(F)c1O	894538094	HCJPEGIMYXJCLL-VIFPVBQESA-N	295.232	1.957	10	20	CDCD	
COc1ccc(CN(C)[C@@H]2CCN(C)C2=O)c(O)c1OC	892080764	OSVZDLYHIWLWDV-LLVKDONJSA-N	294.351	1.072	10	20	CDCD	
CCOC(=O)/C(=C/c1cn(CC)nn1)c1nccn1C	899349450	CRQAGFLOQFCRSZ-DHZHZOJOSA-N	275.312	1.135	10	20	CDCD	
COC[C@@H](O)CCN[C@H](C)c1cc(C)ccc1O	186202509	HJENLGGFOLCSLP-NEPJUHHUSA-N	253.342	1.749	10	20	CDCD	
COc1ccc(CNC(=O)c2ccc(OC)nc2)c(O)c1	794382750	GRYFUZQBHKIZND-UHFFFAOYSA-N	288.303	1.734	10	20	CDCD	
CCOc1ccc(CN2CC[C@](C)(C(N)=O)C2)c(O)c1	793389630	KWGPQQVQIJWTLX-HNNXBMFYSA-N	278.352	1.488	10	20	CDCD	
CCOc1cccc(CN(CCOC)CCOC)c1O	133419150	HJGCMIWWOWEILO-UHFFFAOYSA-N	283.368	1.886	10	20	CDCD	
CN(Cc1ccccc1O)c1nnc(C2(O)CC2)n1C	1339977669	COSJYPFSPOPZBQ-UHFFFAOYSA-N	274.324	1.139	10	20	CDCD	
CC1(C(=O)O)CN(C(=O)/C=C/c2ccc(O)c(O)c2)C1	1609811553	ACROJEFAYXNCLT-HWKANZROSA-N	277.276	1.044	10	20	CDCD	
C[C@@H](NC(=O)c1cc(C(=O)O)n[nH]1)c1ccccc1O	1604993258	BWOKBJZRMQLGFG-SSDOTTSWSA-N	275.264	1.305	10	20	CDCD	
COC[C@H](NCc1cc(C(C)C)ccc1O)C(=O)O	1606815265	UTTADTXMTHXGEQ-LBPRGKRZSA-N	267.325	1.705	10	20	CDCD	
COc1ccc(N2CC[C@H](CN[C@@H](C)CC(=O)O)C2)cc1	1594101100	FXMYQYBDDPNOQP-QWHCGFSZSA-N	292.379	1.974	10	20	CDCD	
O=C(O)CN(C(=O)c1cc(O)cs1)C1CCC1	1595068261	LQRFSFDCWHXLGA-UHFFFAOYSA-N	255.295	1.533	10	20	CDCD	
C[C@H](N[C@H]1CCN(CCC(=O)O)C1=O)c1ccccc1O	1599902095	KFGPTKIGFQNMBF-JQWIXIFHSA-N	292.335	1.118	10	20	CDCD	
C[C@H](N[C@@H]1CC(=O)N(C)C1)c1ccc(N(C)C)cc1	268870744	UIZHOOZHMLLITG-WCQYABFASA-N	261.369	1.634	10	20	CDCD	
Cc1cc(CNCc2ccc3c(c2)CCO3)n(C)n1	283800525	BNCFNKSXOCHJRG-UHFFFAOYSA-N	257.337	1.953	10	20	CDCD	
C[C@H](NC[C@@]1(O)CCSC1)c1ccccc1O	183543308	ALIGPDPJCLREIP-GWCFXTLKSA-N	253.367	1.911	10	20	CDCD	
OC[C@H](C[C@H]1CCCO1)NCc1ccccc1O	886229555	ROCAYSMPNDEALI-QWHCGFSZSA-N	251.326	1.412	10	20	CDCD	
C[C@@H](O)C(=O)NCc1ccc(N2CCSCC2)cc1	305691337	BTEKVFJPSJAFGX-LLVKDONJSA-N	280.393	1.237	10	20	CDCD	
COc1ccc(N2CCN(Cc3nccc(N)n3)CC2)cc1	179186635	WFRSGZLPOLWTEO-UHFFFAOYSA-N	299.378	1.390	10	20	CDCD	
CS(=O)(=O)CCCCCNCc1ccccc1O	185213114	LJDMNBPOEBFKIU-UHFFFAOYSA-N	271.382	1.697	10	20	CDCD	
C[C@@H](NC(=O)c1cccc(O)c1O)[C@H]1CCOC1	126569495	LDAJDXXEWZQKKM-BDAKNGLRSA-N	251.282	1.253	10	20	CDCD	
Cc1cccn2c(C=C3C(=O)N(C)C(=O)N(C)C3=O)cnc12	125214345	YCZOFIZVECJGOT-UHFFFAOYSA-N	298.302	1.077	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)C1[C@H]2CCC[C@@H]12	122907085	FRABACRAASXXQH-BVUQATHDSA-N	261.321	1.803	10	20	CDCD	
CCN(CC)CCNC(=O)Nc1ccc(N)cc1	35407571	UFRGTBKFGYLBGZ-UHFFFAOYSA-N	250.346	1.732	10	20	CDCD	
CCOc1ccc(O)c(CN[C@@]2(CO)CCOC2)c1	184192340	SBCFLFZEKKLQQW-CQSZACIVSA-N	267.325	1.032	10	20	CDCD	
COc1ccc(N(C)CC(=O)NC(=O)NC2CC2)cc1F	121839001	WVXUZILYBXCAEB-UHFFFAOYSA-N	295.314	1.259	10	20	CDCD	
Cc1cc(CC(=O)NCc2ccc(N(C)C)cc2)no1	74186334	NRNYNXDLHDXJGT-UHFFFAOYSA-N	273.336	1.908	10	20	CDCD	
CCC[C@@](C)(O)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	186442365	RMAHPUWLHLBMFW-MEBBXXQBSA-N	281.352	1.696	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NCCCn1cccn1	180639456	BIZNUNVYTVDJHP-GQCTYLIASA-N	287.319	1.514	10	20	CDCD	
Cc1ccc(C(=O)N[C@H]2c3ccccc3C[C@@H]2O)c(O)c1O	182841380	SMGFYVXQNSNZBI-KBPBESRZSA-N	299.326	1.794	10	20	CDCD	
C[C@H](CCCO)NC(=O)NCc1ccc(N(C)C)cc1	88480029	IGHBKBSLFDQEBA-GFCCVEGCSA-N	279.384	1.713	10	20	CDCD	
CO[C@H]1COC[C@@H]1N[C@@H](C)c1ccc(C)cc1O	290301097	YVRHBTBSAAWXIH-JKOKRWQUSA-N	251.326	1.765	10	20	CDCD	
CO[C@@](C)(C(=O)N[C@H](C)Cc1ccc(O)c(O)c1)C1CC1	291757346	VCYQMJAVQXXBEK-QLJPJBMISA-N	293.363	1.960	10	20	CDCD	
Cc1cc(C)c([C@H](C)NC[C@@]2(O)CCOC2)c(O)c1	294911970	WOAFGCRPZUIHNT-WFASDCNBSA-N	265.353	1.811	10	20	CDCD	
O=C1C[C@H](CNCc2ccc(N3CCCCC3)cc2)CN1	398337584	ITCVSOBWXFRLSG-OAHLLOKOSA-N	287.407	1.903	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H]1C[C@H]1OCC	808095198	VRARCIQRYTUSAY-CMPLNLGQSA-N	284.352	1.919	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)C[S@@](=O)CC)cc1	294802501	IMFSFPFYQSISRZ-FQEVSTJZSA-N	296.436	1.918	10	20	CDCD	
CO[C@H](C)CCN1C(=O)CN(Cc2ccccc2O)C1=O	819168722	VJBKFPVAQAGWJS-LLVKDONJSA-N	292.335	1.581	10	20	CDCD	
COc1ccc(O)c(CNC(=O)OC2CCOCC2)c1	810050481	DGSJMTPJALJBHX-UHFFFAOYSA-N	281.308	1.806	10	20	CDCD	
C[C@@H](CCCCN)NC[C@H](N)c1ccc(N(C)C)cc1	817939162	AAMYSYNEGQORCW-BBRMVZONSA-N	278.444	1.860	10	20	CDCD	
CC[C@H](CS(=O)(=O)NCc1ccccc1O)OC	817133637	HDWJAYIQOZGOAB-LLVKDONJSA-N	273.354	1.237	10	20	CDCD	
NC(=O)Cc1ccc(CNCc2ccc3c(c2)CCO3)cc1	727470851	PEVSEGTWCXLSAZ-UHFFFAOYSA-N	296.370	1.939	10	20	CDCD	
COc1ccc(O)c(CNC[C@H]2CCOC[C@H]2OC)c1	824709754	SOPORLWCWYIYDE-IAQYHMDHSA-N	281.352	1.542	10	20	CDCD	
CN(C)c1cccc(CNC(=O)Cc2ccc(N)cc2)n1	831452672	RHNZIRJAXKBLSD-UHFFFAOYSA-N	284.363	1.589	10	20	CDCD	
O=C(NCCc1nnc2ccccn12)c1cc(O)cs1	732257915	JNPYVGKBKSVBLJ-UHFFFAOYSA-N	288.332	1.469	10	20	CDCD	
CC(=O)CCCCCNC(=O)c1cccc(O)c1O	909100737	IETIFZQBCUMYJU-UHFFFAOYSA-N	265.309	1.977	10	20	CDCD	
CC[C@@]1(CO)CCCN1C(=O)c1cc(O)cs1	832746769	YUJNERWNGOKEAW-LBPRGKRZSA-N	255.339	1.831	10	20	CDCD	
Cc1cc(O)c([C@H]2NC(=O)[C@H]3CSCCN32)cc1Cl	849183734	VYYZHEOKBTVYSJ-PWSUYJOCSA-N	298.795	1.900	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN[C@@H]1CC(=O)N(C2CC2)C1	840937827	YFICHHJUURGNGJ-CQSZACIVSA-N	287.407	1.914	10	20	CDCD	
COc1ccc(O)c(CNc2ccnc(N(C)C)n2)c1	740869365	OEXSETMTRZDNHA-UHFFFAOYSA-N	274.324	1.869	10	20	CDCD	
CN(C)c1ccc(CNCC[C@]2(O)CCCOC2)cc1F	846109439	JEJOAZURPWUKHM-MRXNPFEDSA-N	296.386	1.913	10	20	CDCD	
CCn1cc(CNC[C@H](N)c2ccc(N(C)C)cc2)cn1	841041811	FPWOUJYVWBHUGX-INIZCTEOSA-N	287.411	1.759	10	20	CDCD	
COc1ccc(CNC(=O)[C@H]2CCCNCC2)c(O)c1	846683445	ZOOPNISINIKFQM-NSHDSACASA-N	278.352	1.407	10	20	CDCD	
Cn1ccc(COC(=O)c2cccc(O)c2O)cc1=O	758573508	TTXKWTGGEFXYDF-UHFFFAOYSA-N	275.260	1.154	10	20	CDCD	
COc1cc(O)c(CN2C[C@@H]3CCC[C@@]3(N)C2)cc1OC	857226521	QMLAUKBYTOTMEK-BLLLJJGKSA-N	292.379	1.723	10	20	CDCD	
COc1cccc([C@H](C)NCCN(C)OC)c1O	850478691	WVZVWFFYBXMELT-JTQLQIEISA-N	254.330	1.545	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1cnnc(O)c1	854324997	UXZAAHJTGXCFHY-UHFFFAOYSA-N	286.335	1.520	10	20	CDCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@@H](O)C1CC1	854949924	ZNIQUNHNUIDQJY-WBMJQRKESA-N	290.407	1.879	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NCCC1CSC1	854975645	CSQVQYNZHHLOAB-DUXPYHPUSA-N	279.361	1.980	10	20	CDCD	
CCCCN1CC(=O)N[C@@H]1c1cc2c(cc1O)OCO2	920406396	PWILOQMJDCJWQZ-AWEZNQCLSA-N	278.308	1.351	10	20	CDCD	
CN(C)c1cc(F)c(CNC[C@H]2C[C@@H](O)C2)cc1F	858294576	ITPKQUKYTIBBQN-JGZJWPJOSA-N	270.323	1.891	10	20	CDCD	
CN(CC1=CCSC1)C(=O)C(=O)Nc1ccc(N)cc1	850862978	BDPDAIBSLNPDAZ-UHFFFAOYSA-N	291.376	1.339	10	20	CDCD	
COc1ccc(O)c([C@H](C)N[C@H](C)[C@H]2CN(C)CCO2)c1	756759559	NAVIDBLQVSYGMK-HWWQOWPSSA-N	294.395	1.771	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)N[C@H](C)C(=O)N(C)C)c1	756739589	PPMFJIXLSAHBNB-NXEZZACHSA-N	294.351	1.306	10	20	CDCD	
Oc1cc2c(cc1CN1CCO[C@@H]3CCC[C@@H]31)[C@@H](O)CO2	863305376	ZFNNVNYZCIWUPZ-AEGPPILISA-N	291.347	1.571	10	20	CDCD	
Cc1ccn(C[C@@H](C)C(=O)NCCc2ccc(N)cc2)n1	867964243	WBWJJUKCYBTNRC-GFCCVEGCSA-N	286.379	1.769	10	20	CDCD	
CON(C)C(=O)[C@@H](C)NCc1cccc(C)c1O	862542324	MEAAMUJOPNIXHO-SNVBAGLBSA-N	252.314	1.199	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)c1nccn2ccnc12	768913795	BQZCQYGXYXRJPX-UHFFFAOYSA-N	284.275	1.071	10	20	CDCD	
CC(F)(F)CCS(=O)(=O)NCCc1ccc(N)cc1	866761032	KHRGTYKYHAELAH-UHFFFAOYSA-N	292.351	1.776	10	20	CDCD	
Cc1ccc(CN2CCC3(CC2)CNC(=O)N3C)c(O)c1	877601303	YUFDHABLFPYORF-UHFFFAOYSA-N	289.379	1.690	10	20	CDCD	
Cc1ccc(CNCCNC(=O)c2ccco2)c(O)c1	876909688	FKKXWUVJRUKTLA-UHFFFAOYSA-N	274.320	1.813	10	20	CDCD	
COCCOCCC(=O)N[C@H](C)c1ccc(N(C)C)cc1	773012430	BTCCQLCTYDQQOT-CYBMUJFWSA-N	294.395	1.983	10	20	CDCD	
CCC[C@H](NC(=O)c1cc(O)cs1)C(=O)OC	774393954	NASUVZAEMUMYDU-QMMMGPOBSA-N	257.311	1.525	10	20	CDCD	
Cc1ccc(CC(=O)NCc2ccc(O)c(O)c2)o1	778915681	UEMYFMONQGSYIT-UHFFFAOYSA-N	261.277	1.858	10	20	CDCD	
Nc1ccc(CC(=O)N2CCO[C@@H](C(F)F)C2)cc1	877301290	QKPGWUZNGZVIFW-LLVKDONJSA-N	270.279	1.304	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2C[C@@H]3CC[C@H]2N3)c1	1122029734	YPVMXCYSEUNOCQ-DUBDDPSESA-N	290.363	1.719	10	20	CDCD	
C[C@@H](NC(=O)NCCCO)c1ccc(N(C)C)cc1	776242990	BOGBCLSDYONZEF-LLVKDONJSA-N	265.357	1.495	10	20	CDCD	
CCN(CC)c1ccc(CN[C@@H]2C[C@H](O)[C@H](O)C2)cc1	886257494	BLOCBSULSFVMOW-RBVVOMGSSA-N	278.396	1.507	10	20	CDCD	
CN(Cc1cn[nH]c1)C(=O)/C=C\c1ccc(O)c(O)c1	779519914	GHNYQRNQMKFNFH-HYXAFXHYSA-N	273.292	1.493	10	20	CDCD	
CCN(CCCO)Cc1cc(C)cc(OC)c1O	894053373	GHDAGZMANAQZAN-UHFFFAOYSA-N	253.342	1.914	10	20	CDCD	
Cc1cc(O)c(CNCCN2CCNC2=O)cc1Cl	895813256	AYKOGMPDUHTDLD-UHFFFAOYSA-N	283.759	1.469	10	20	CDCD	
COc1ccc(CNC[C@H]2CC(C)=NO2)c(O)c1OC	895429724	TWYUMBQGUYTMIU-LLVKDONJSA-N	280.324	1.664	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCC1CC1	788514190	VNIJVMIVAUVLSS-UHFFFAOYSA-N	289.379	1.203	10	20	CDCD	
C[C@@]1(C(=O)OCC(=O)c2ccc(O)c(O)c2)CCCOC1	784631643	VZBWHKYUTQZZCR-OAHLLOKOSA-N	294.303	1.640	10	20	CDCD	
O=C(N[C@@H](CCO)C1CCOCC1)c1cccc(O)c1O	790932260	XFKIXHMHBMZPRN-LBPRGKRZSA-N	295.335	1.005	10	20	CDCD	
CN(Cc1ccccc1O)c1ncnc2nc[nH]c12	302604155	CUEMWVSNWUYNMG-UHFFFAOYSA-N	255.281	1.695	10	20	CDCD	
CO[C@@H](C)CN(C)Cc1cc2c(cc1O)OC[C@@H]2O	795748620	DAKNYLGHUHZPMR-ZANVPECISA-N	267.325	1.285	10	20	CDCD	
CC[C@](C)(CO)NCc1ccc(N2CCOCC2)cc1	77111462	HEALFVJXLYAHHC-MRXNPFEDSA-N	278.396	1.774	10	20	CDCD	
COc1ccc(CNCCCNC(C)=O)cc1C	74231235	MMQJOKOKXPLXGE-UHFFFAOYSA-N	250.342	1.619	10	20	CDCD	
C[C@@H]1CN(C(=O)c2c(F)ccc(O)c2O)CCN1C	1324693843	RUCRDIQNPWTGDK-MRVPVSSYSA-N	268.288	1.013	10	20	CDCD	
COC(=O)[C@H]1C[C@@H](OC)CCN1Cc1ccc(N)cc1	1335289579	PATGALVOQDQYPM-UONOGXRCSA-N	278.352	1.421	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)CO[C@@H]2CCOC2)c1	1253770051	RJBYCXMCNPAWGO-CMPLNLGQSA-N	295.335	1.384	10	20	CDCD	
C[C@@H]1CN(c2nnc(-c3sccc3O)n2C)CCO1	1262854271	FVCGVQDUOJFYMA-MRVPVSSYSA-N	280.353	1.474	10	20	CDCD	
Nc1ccc(CNC(=O)CCCNC(=O)C2CC2)cc1	1341922881	GJHSXVKEOFNACP-UHFFFAOYSA-N	275.352	1.191	10	20	CDCD	
O=C(N[C@H]1C[C@H]2C[C@H](C(=O)O)C[C@@H]12)c1cc(O)cs1	1601579451	XXVCYRHYORNVJT-KDDQHCCQSA-N	281.333	1.683	10	20	CDCD	
O=C(O)[C@@]12C[C@@H](NCc3cc4c(cc3O)OCO4)C[C@@H]1C2	1602207938	GLIXZLKSOGRUOB-FTGAXOIBSA-N	291.303	1.464	10	20	CDCD	
O=C(O)[C@@H]1CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1	1606373967	KPXCOKHQPJIEJL-DUMNWFOQSA-N	291.303	1.434	10	20	CDCD	
Cc1nnc(NCc2ccccc2O)c(-c2nn[nH]n2)c1C	1609460862	HIOLJSFQUZMRTN-UHFFFAOYSA-N	297.322	1.591	10	20	CDCD	
CCc1nnc(COc2ccc(N(C)C)c(C(=O)O)c2)o1	1605870401	ZXSBDYJEQUJHCN-UHFFFAOYSA-N	291.307	1.975	10	20	CDCD	
CCn1nncc1CNCc1c(O)cccc1OC	858202653	GKLQQOBDJORKCV-UHFFFAOYSA-N	262.313	1.302	10	20	CDCD	
CN(CCOCC1CC1)C(=O)c1cccc(O)c1O	126486791	SHEGWMVENASWJF-UHFFFAOYSA-N	265.309	1.596	10	20	CDCD	
COc1ccc(CNCC(=O)NCC(C)C)cc1C	134636638	FVYNZBWNJSLRGR-UHFFFAOYSA-N	264.369	1.865	10	20	CDCD	
CN1CCC(C(=O)NCCc2ccc(N)cc2)CC1	237105152	MPKJFWMUMIIDSZ-UHFFFAOYSA-N	261.369	1.269	10	20	CDCD	
CCOc1cccc(CN(C)[C@@H]2CCN(C)C2=O)c1O	271164453	BRSZIMIYZXACOG-GFCCVEGCSA-N	278.352	1.453	10	20	CDCD	
CN1CCC(O)(CN[C@H]2CCc3cccc(O)c32)CC1	297573534	GVEOVZOLHDXBNJ-ZDUSSCGKSA-N	276.380	1.426	10	20	CDCD	
CCn1cc(CNCc2cccc(OC)c2O)nn1	404419873	AZTVXIQQONDPNB-UHFFFAOYSA-N	262.313	1.302	10	20	CDCD	
COC[C@@](C)(O)CN[C@@H](C)c1ccc(C)cc1O	382576607	UGCSOLDHPIGHFM-FZMZJTMJSA-N	253.342	1.749	10	20	CDCD	
C[C@@](O)(CNCc1ccc2c(c1)CCO2)C(F)F	698651745	BOVWDSFGOBRWDO-CYBMUJFWSA-N	257.280	1.727	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2cccnc2)c1	114542830	BKXQSLSCWJMIJC-UHFFFAOYSA-N	258.277	1.726	10	20	CDCD	
COc1ccc(O)c([C@H](C)NCC(=O)NCC(C)C)c1	135727965	YPJWREFGCHBVER-NSHDSACASA-N	280.368	1.824	10	20	CDCD	
COc1cc(O)c(CN(C)CC[C@H](C)O)cc1OC	180307693	HMOXOYTZGOSCRF-JTQLQIEISA-N	269.341	1.612	10	20	CDCD	
CN(C[C@@H]1CCCOC1)C(=O)/C=C/c1ccc(O)c(O)c1	181055231	WZQRDIQJOAPITM-IYNGYCSASA-N	291.347	1.996	10	20	CDCD	
CN1C(=O)C(=CC2=Cc3ccccc3OC2)C(=O)N(C)C1=O	73692741	LSBZPYLZGOJNSD-UHFFFAOYSA-N	298.298	1.439	10	20	CDCD	
COC(C)(C)CNC(=O)c1ccc(C)c(O)c1O	182518813	ZDTUCVDRRFSTAW-UHFFFAOYSA-N	253.298	1.561	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CC[C@@H]([C@H]2CCOC2)C1	375694629	YLHBDDXDNUAPOU-MNOVXSKESA-N	277.320	1.596	10	20	CDCD	
COC(=O)NCC(=O)NCc1c(O)ccc2c1CCCC2	75159726	WRXJLASFRPNUMU-UHFFFAOYSA-N	292.335	1.243	10	20	CDCD	
NC(=O)CN(Cc1cc2c(cc1O)OCO2)C1CCCC1	132991603	DKGVWKKSTQLIEH-UHFFFAOYSA-N	292.335	1.351	10	20	CDCD	
CCN(CC)C(=O)CCCNC(=O)Cc1ccc(N)cc1	237015305	WSSUSFFRACUNRW-UHFFFAOYSA-N	291.395	1.576	10	20	CDCD	
CN(C)[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(O)c1O	1116852130	UBZRSNLIMRCQMA-NWDGAFQWSA-N	278.352	1.700	10	20	CDCD	
Nc1ccc(CC(=O)N2CC(=O)N[C@@H]3CCCC[C@H]32)cc1	237884777	JDSGOWRMUCPZTN-ZIAGYGMSSA-N	287.363	1.081	10	20	CDCD	
Cc1cccc(CN[C@@H]2CS(=O)(=O)C[C@@H]2C)c1O	290215375	QZRGHWBJCBYLGL-CMPLNLGQSA-N	269.366	1.223	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2Cc1ncnn1C	163192114	QMQVMZXDDHFWGY-UHFFFAOYSA-N	273.340	1.280	10	20	CDCD	
CCOc1cccc(CN2CCNC(=O)C[C@@H]2C)c1O	367669834	LYOSETJOLMZAHB-NSHDSACASA-N	278.352	1.501	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)C[C@H](CN)OC	278170880	CKSUFZDVZWKRKY-CYBMUJFWSA-N	280.368	1.495	10	20	CDCD	
COc1cc(O)c(CNC[C@@]2(O)CCO[C@@H]2C)cc1OC	279426857	NUQHWTBVRMFIIR-BMIGLBTASA-N	297.351	1.039	10	20	CDCD	
COC[C@@H](NCc1cc(C)ccc1O)[C@@H]1CCCO1	278699462	QQRUZCDWOGJOGQ-HIFRSBDPSA-N	265.353	1.984	10	20	CDCD	
Cc1cc(O)c(CN(C)[C@@H]2COC[C@H]2O)cc1C	289852108	VBIYXSWDHNHIBO-TZMCWYRMSA-N	251.326	1.201	10	20	CDCD	
CNS(=O)(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	285290039	SWZHTTZQDYTPBS-UHFFFAOYSA-N	285.413	1.427	10	20	CDCD	
C[C@@H](CC(N)=O)C(=O)NCc1ccc(N2CCCC2)cc1	283021855	MBTMULVRDUVEQR-LBPRGKRZSA-N	289.379	1.415	10	20	CDCD	
CC(C)[C@@H](O)C1(CNC(=O)c2c(F)ccc(O)c2O)CC1	297427279	HQIKCTGLABDFMB-CYBMUJFWSA-N	297.326	1.764	10	20	CDCD	
CCn1ccnc(Sc2ncc(C(=O)OC)s2)c1=O	295003845	RTRLSJSKWQWNOJ-UHFFFAOYSA-N	297.361	1.658	10	20	CDCD	
COc1cc(O)c(CN(C)CCN(C)C2CC2)cc1OC	290640051	YMKJIBSMKJZQLR-UHFFFAOYSA-N	294.395	1.935	10	20	CDCD	
CC1(CN2C(=O)CN(Cc3ccccc3O)C2=O)CC1	819167742	GQTCUHDYQQHSJI-UHFFFAOYSA-N	274.320	1.957	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)NC[C@@H]2CCCNC2)c1	817946011	PXYFITNLIQCGTC-NWDGAFQWSA-N	292.379	1.829	10	20	CDCD	
CNC(=O)CN(C)Cc1cc(Cl)c(C)cc1O	827862383	DDUJSLYVWIBASJ-UHFFFAOYSA-N	256.733	1.532	10	20	CDCD	
COC(OC)C(=O)NCc1c(O)ccc2c1CCCC2	821070897	PVZMEOQBWRXEKU-UHFFFAOYSA-N	279.336	1.506	10	20	CDCD	
CC(C)NC(=O)NCCN(C)Cc1ccccc1O	828063103	ZRLMBHAYCSDRLH-UHFFFAOYSA-N	265.357	1.532	10	20	CDCD	
CN(C(=O)c1cc(O)cs1)[C@H]1CCCCNC1=O	825475579	SCJMUSVLVNWBOY-VIFPVBQESA-N	268.338	1.194	10	20	CDCD	
CN(C)C(=O)CCCC(=O)NCc1ccccc1O	735855791	QHMHZTLUMLOTAG-UHFFFAOYSA-N	264.325	1.267	10	20	CDCD	
C[C@H](Cn1ccnc1)NC(=O)c1cc(O)cs1	732268757	BIMSGTOXOIPJEE-MRVPVSSYSA-N	251.311	1.469	10	20	CDCD	
CC(C)[C@@H](CO)ONC(=O)/C=C\c1ccc(O)c(O)c1	836892637	ROOYQSXIWLZTDU-RYWCDNDXSA-N	281.308	1.176	10	20	CDCD	
CO[C@H](C)CC(=O)N(CC(=O)O)Cc1ccccc1O	911485531	JBVCUHIWAYBDRA-SNVBAGLBSA-N	281.308	1.230	10	20	CDCD	
Cc1nonc1CNC(=O)NCc1ccccc1O	745789083	BMDNHNSIRQYQCT-UHFFFAOYSA-N	262.269	1.083	10	20	CDCD	
CN1CCCc2cc(CNC(=O)N[C@@H]3CCNC3)ccc21	841760695	YLEOXXFAFORDSM-CQSZACIVSA-N	288.395	1.230	10	20	CDCD	
Cn1ccnc1[C@@H]1CNCCN1Cc1ccccc1O	843121294	CDHICCPZGCREQZ-ZDUSSCGKSA-N	272.352	1.272	10	20	CDCD	
C[C@H](CC(=O)O)C(=O)NCc1ccc2cccnc2c1O	911701225	SDWRJZVILCDNAX-SECBINFHSA-N	288.303	1.667	10	20	CDCD	
CC(C)(C)n1cc(CNCCc2ccc(N)cc2)nn1	841038975	WDICJCOBFMTQBW-UHFFFAOYSA-N	273.384	1.948	10	20	CDCD	
C[C@H]1CN(C(=O)NCCc2ccc(N)cc2)[C@@H](C)CN1	841955450	CGISXNWXPZZNGF-RYUDHWBXSA-N	276.384	1.203	10	20	CDCD	
CCCn1cc(C(=O)NCc2cc(Cl)ccc2O)nn1	846472650	DCQNTZXRFPRNME-UHFFFAOYSA-N	294.742	1.977	10	20	CDCD	
CC1(C)[C@H](NC(=O)c2cc(O)cs2)[C@@H]2CCO[C@H]21	741292641	FHNAYOJQISQCCO-JMJZKYOTSA-N	267.350	1.997	10	20	CDCD	
CCOC(=O)C[C@H](C)NC(=O)Nc1ccc(N)cc1	841297262	NWLPSMQPPRXIMS-VIFPVBQESA-N	265.313	1.732	10	20	CDCD	
COc1ncc(C(=O)NCc2cc(Cl)ccc2O)cn1	857547456	FGLXVMLIEDMXKP-UHFFFAOYSA-N	293.710	1.774	10	20	CDCD	
C[C@H]1CN(CCN[C@H](C)c2cc(F)ccc2O)CCO1	756546934	WARSBLHZHJCXGI-NWDGAFQWSA-N	282.359	1.903	10	20	CDCD	
CN(Cc1cnn(C)c1)C(=O)CN(C)c1ccc(N)cc1	863558498	LLCDTXJZRRUQIN-UHFFFAOYSA-N	287.367	1.097	10	20	CDCD	
CN(C)CC1(C(=O)NCc2ccc(N(C)C)c(F)c2)CC1	874250483	UBLFYSDKCGPWRM-UHFFFAOYSA-N	293.386	1.850	10	20	CDCD	
CC(C)(CCNC(=O)N1Cc2cccc(O)c2C1)C(=O)O	874405893	WAQDJKVEXDIJGU-UHFFFAOYSA-N	292.335	1.918	10	20	CDCD	
C[C@@H](NC(=O)[C@H]1CCC(=O)N1)c1ccc(N(C)C)cc1	772998204	ISIINRNJBBOLHW-ZWNOBZJWSA-N	275.352	1.208	10	20	CDCD	
Cc1cccc(O)c1CNCCCc1cnn(C)n1	877551163	TXPUEBTYQMOCMM-UHFFFAOYSA-N	260.341	1.552	10	20	CDCD	
C[C@H]1CCN1C(=O)C(=O)NCc1ccc(N(C)C)c(F)c1	1119436951	KXMYQHZGDKIGEG-JTQLQIEISA-N	293.342	1.129	10	20	CDCD	
Cc1ccc(CN2CCN(C[C@@H]3CCOC3)CC2)c(O)c1	876784864	MFOCPHOBAWIMAW-HNNXBMFYSA-N	290.407	1.855	10	20	CDCD	
Cc1cc(C)c([C@@H](C)NCCN2CCNC2=O)c(O)c1	886745040	MNFLKUJVWKBMIE-GFCCVEGCSA-N	277.368	1.685	10	20	CDCD	
O=S(=O)(NCc1ccc(N2CCCC2)cc1)NC1CC1	772417287	VCAYNAKAEKXRTO-UHFFFAOYSA-N	295.408	1.373	10	20	CDCD	
CO[C@@H](CN)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	884306763	NODVAXKTMLZABL-HNNXBMFYSA-N	293.411	1.463	10	20	CDCD	
CC(C)(C)N1C[C@H](C(=O)NCc2ccc(N)cc2)CC1=O	1122535495	ATQGPWVZEWZNJR-GFCCVEGCSA-N	289.379	1.532	10	20	CDCD	
CCCN(Cc1ccccc1O)c1cc(C(N)=O)ncn1	882115147	YGBCYFXPQDKMKB-UHFFFAOYSA-N	286.335	1.698	10	20	CDCD	
Cc1ccc(C(=O)N[C@@]2(C)CCCOC2)c(O)c1O	781016112	ZTUCIIXQMSKPMQ-AWEZNQCLSA-N	265.309	1.705	10	20	CDCD	
CSC[C@@H](CCO)NC(=O)c1ccc(C)c(O)c1O	780984033	ODCYOGVTAXPMSM-SECBINFHSA-N	285.365	1.250	10	20	CDCD	
COc1ccc(CNC[C@H]2CCCOC2)c(O)c1OC	892650611	ZPIJPWLAOBOTMA-LLVKDONJSA-N	281.352	1.926	10	20	CDCD	
CNC(=O)[C@@]1(C)CCN(C(=O)c2cc(O)cs2)C1	798118471	ZSYCHVCTMLILCW-LBPRGKRZSA-N	268.338	1.052	10	20	CDCD	
CC(=O)O[C@H]1CCCN(C(=O)c2cccc(O)c2O)C1	790901734	OHCXLTXLKMEQFS-JTQLQIEISA-N	279.292	1.266	10	20	CDCD	
CN1CCC[C@@H](NCc2cc(F)ccc2O)C1=O	704318732	ZEHBYUUCTLSITL-LLVKDONJSA-N	252.289	1.242	10	20	CDCD	
Cc1ccc(C(=O)NC[C@H](C2CC2)N(C)C)c(O)c1O	1319952943	WBXFCRAQDPOWHP-GFCCVEGCSA-N	278.352	1.476	10	20	CDCD	
C[C@H]1CCC[C@@H]1NC(=O)C(=O)N(C)Cc1ccccc1O	1328664267	XYSZJEPYFIWXSZ-AAEUAGOBSA-N	290.363	1.655	10	20	CDCD	
CCC[C@@H](C)NC(=O)C(=O)NCCc1ccc(N)cc1	1328734457	ZTVQCUBAQQVUQB-LLVKDONJSA-N	277.368	1.232	10	20	CDCD	
CCOC[C@@H](NCc1cc(F)cc(F)c1O)C(=O)O	1333175088	CAKIOYYHDUPOCL-SNVBAGLBSA-N	275.251	1.250	10	20	CDCD	
CC(=O)N1CC(C(=O)N[C@H](C)c2ccccc2O)C1	1261912641	UHEYRPCUMUOPFM-SECBINFHSA-N	262.309	1.048	10	20	CDCD	
CC[C@](C)(CNC(=O)c1c(F)ccc(O)c1O)OC	1344402502	ATLVAYUXGOLZOI-CYBMUJFWSA-N	271.288	1.782	10	20	CDCD	
CC[C@@H]1C(=O)N(CC)CCN1Cc1ccc(N)cc1	1345160132	RQUDUSTUSXSJTH-CQSZACIVSA-N	261.369	1.712	10	20	CDCD	
CC(C)N1C[C@H](NC(=O)NCc2ccc(N)cc2)CC1=O	1353352890	ZIAVHLMAAQDKEY-CYBMUJFWSA-N	290.367	1.077	10	20	CDCD	
CCOCc1cc(CN[C@@H](CCO)C(=O)O)ccc1OC	1353953082	XUGCXDVQMOSBQW-ZDUSSCGKSA-N	297.351	1.157	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H](C(=O)O)C(C)(C)C)c(O)c1O	1600335396	JDCWMZCFWUFJGZ-NSHDSACASA-N	281.308	1.635	10	20	CDCD	
O=C(O)[C@H](C[C@H]1CCCOC1)NCc1cccc(F)c1O	1601642838	QQGXJXPUGYQOHS-MFKMUULPSA-N	297.326	1.891	10	20	CDCD	
CS[C@H](CO)[C@@H](C)N[C@@H](C)c1cc(C(=O)O)ccc1O	1607390172	QXHAMPJMSWCOCU-IGJMFERPSA-N	299.392	1.853	10	20	CDCD	
Oc1ccccc1CNc1cc(-c2nn[nH]n2)ccn1	1609611510	GLGZPUFFAXSIBI-UHFFFAOYSA-N	268.280	1.579	10	20	CDCD	
CC[C@H](NC[C@@]1(O)CCO[C@@H]1C)c1ccccc1O	228055261	HIVLFSLCHTXTNZ-ZLDLUXBVSA-N	265.353	1.973	10	20	CDCD	
C[C@@H](NC[C@@H]1CCCCN1)c1cc(C(=O)O)ccc1O	1593252081	NHPMECIIKMJWCV-PWSUYJOCSA-N	278.352	1.883	10	20	CDCD	
CCN(c1ccc(/C=C/C(=O)O)cc1[N+](=O)[O-])[C@H](C)CO	1596382849	FTZGLENDKUMARA-BREXMAIKSA-N	294.307	1.900	10	20	CDCD	
C[C@H](N[C@H]1CCN[C@H](C)C1)c1cc(C(=O)O)ccc1O	1594261379	NOWANORHBINAQP-SCVCMEIPSA-N	278.352	1.882	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CC[C@@H](N2CCCC2)C1	126403580	SZBZLMFWJGOIAR-LLVKDONJSA-N	276.336	1.408	10	20	CDCD	
COC[C@@H](C)n1cc(COc2ccc(N)cc2)nn1	881317280	JLXYQZGLKNWTNJ-SNVBAGLBSA-N	262.313	1.647	10	20	CDCD	
Cc1nc(S(=O)(=O)N(C)Cc2ccccc2O)cn1C	159641829	AZXMAKFXTFLEPX-UHFFFAOYSA-N	295.364	1.255	10	20	CDCD	
CO[C@@H](CNCc1cc2c(cc1O)OCO2)C(C)C	266603638	FNUNQABFCZJLJW-AWEZNQCLSA-N	267.325	1.882	10	20	CDCD	
Oc1cc2c(cc1CNCCc1nccs1)OCO2	60942186	XEXOZWHFVZUIAE-UHFFFAOYSA-N	278.333	1.910	10	20	CDCD	
CN(C)c1ccc(CN[C@@H]2CCNC(=O)CC2)cc1	396728728	NVKGUVKGLLFMLI-ZDUSSCGKSA-N	261.369	1.511	10	20	CDCD	
COc1ccc2c(c1)CCCN2CC(=O)NCC1CC1	27960288	JBPBGHJPDMSIOW-UHFFFAOYSA-N	274.364	1.974	10	20	CDCD	
CNC[C@H](C)CNCc1ccc(N(C)C)c(F)c1	1348514743	GPQHPRAWGUWPKQ-NSHDSACASA-N	253.365	1.837	10	20	CDCD	
CC(C)N(C)CC(=O)N1CCOc2cc(N(C)C)ccc21	173190150	BUMMXWOTFLMCTQ-UHFFFAOYSA-N	291.395	1.818	10	20	CDCD	
CN(C)c1ccc(CN2CCCN(C(N)=O)CC2)cc1F	126760702	LHMVFEJSWWTOKN-UHFFFAOYSA-N	294.374	1.478	10	20	CDCD	
CSC[C@H](C)NC(=O)c1ccc(C)c(O)c1O	182474987	JRLWFCBGRHRIMM-QMMMGPOBSA-N	255.339	1.888	10	20	CDCD	
CCC[C@@](C)(NC(=O)c1cccc(O)c1O)C(=O)O	125998950	YNYGXSWCNBMVMH-CYBMUJFWSA-N	267.281	1.471	10	20	CDCD	
CO[C@@H](C)CC(=O)NCCc1ccc(O)c(O)c1	122387671	TZSXGTVYFZPZLB-VIFPVBQESA-N	253.298	1.182	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H]1CCC[C@@H](O)C1	181117291	MVTHRKNNVQBONM-MVTQWGDUSA-N	291.347	1.778	10	20	CDCD	
CN1CCC(NC(=O)/C=C/c2ccc(O)c(O)c2)CC1	180603869	PZYMKQPHJKGDAR-HWKANZROSA-N	276.336	1.321	10	20	CDCD	
CCC[C@](C)(O)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	186442318	RMAHPUWLHLBMFW-BONVTDFDSA-N	281.352	1.696	10	20	CDCD	
CCc1cc(C(=O)N(C)Cc2ccccc2O)cc(=O)[nH]1	182201927	TZMLLXGKOCZGER-UHFFFAOYSA-N	286.331	1.915	10	20	CDCD	
CCOc1cccc(CN2C[C@H](C)O[C@H](CO)C2)c1O	191525945	OPWKFOGHZPMMTG-AAEUAGOBSA-N	281.352	1.373	10	20	CDCD	
COC(=O)NCCCC(=O)NCc1ccccc1O	264507765	SLKQSTIKQPDOKS-UHFFFAOYSA-N	266.297	1.145	10	20	CDCD	
CCOc1ccc(N(CC)CC(=O)NCC(=O)OC)cc1	269628737	POYNFDDTHXNCGG-UHFFFAOYSA-N	294.351	1.201	10	20	CDCD	
O=C(NO[C@H]1CCCCO1)c1c(F)ccc(O)c1O	276577081	LCLJKQABRPQLNJ-VIFPVBQESA-N	271.244	1.425	10	20	CDCD	
CC[C@H]1CN(Cc2cc(OC)ccc2O)C[C@H]1O	272028143	YFOJQEQJGZDGNF-IINYFYTJSA-N	251.326	1.604	10	20	CDCD	
O=C1N[C@H]2CCN(Cc3c(O)cccc3Cl)C[C@@H]2CO1	281409701	YEOJSIPCBILEQV-SKDRFNHKSA-N	296.754	1.976	10	20	CDCD	
Cn1cc(CCNC(=O)NCc2ccccc2O)cn1	299520190	QAIBKXDDZWXSTO-UHFFFAOYSA-N	274.324	1.168	10	20	CDCD	
COCCN1CN(Cc2ccc(N(C)C)c(C)c2)CC1=O	294035853	IJJKSYKPUSZNFB-UHFFFAOYSA-N	291.395	1.309	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNC[C@H](C)CCCO)c1O	294824068	PGKMGEKKHQNKRS-SNVBAGLBSA-N	298.339	1.807	10	20	CDCD	
OCCCN1CCC[C@@H](NCc2cc(F)ccc2O)C1	295209923	ZXLLDOQBUXOHRD-CQSZACIVSA-N	282.359	1.468	10	20	CDCD	
COc1ccc(N2CC[C@H](CNC(=O)C(C)(C)N)C2)cc1	819930272	CJJUBFHNMSJDBY-GFCCVEGCSA-N	291.395	1.375	10	20	CDCD	
C[C@@H](NC[C@H]1CNCCCO1)c1ccccc1O	817982449	SMAITWXWVVGWCG-VXGBXAGGSA-N	250.342	1.421	10	20	CDCD	
O=C(O)C[C@H]1CCCN(C(=O)c2cc(O)cs2)C1	819370617	ANFTWZIBQNTOCV-MRVPVSSYSA-N	269.322	1.781	10	20	CDCD	
CCc1nnc(N(C)Cc2ccccc2O)n1CCOC	812134420	PDMXBKOQLZGCDI-UHFFFAOYSA-N	290.367	1.829	10	20	CDCD	
C[C@@H]1CN(C2CC2)C[C@@H]1NCCc1ccc(N)cc1	817956432	YVAVBCKVGQKSPI-WBMJQRKESA-N	259.397	1.884	10	20	CDCD	
Cn1cnc(/C=C\C(=O)N2C[C@@H](CO)Cc3ccccc32)c1	820019809	PKXXQXBPALGPKN-FWWRYZNZSA-N	297.358	1.631	10	20	CDCD	
COc1cc(O)c(CN[C@@H](C(=O)O)C(C)C)cc1OC	820775455	WNGLBCNZEYVRMS-CYBMUJFWSA-N	283.324	1.608	10	20	CDCD	
CCOCc1cc(CN[C@H](CC)C(=O)NC)ccc1OC	825315430	AGWXEEMYRXQQJW-CQSZACIVSA-N	294.395	1.846	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCN(Cc2cn[nH]c2)CC1	823016897	JIAVZIOKRIKSLV-UHFFFAOYSA-N	292.364	1.135	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CCOC1	734407184	FUWNSEHWGMKGBR-CYBMUJFWSA-N	262.353	1.714	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@H](C)C[C@@H](C)N)c1	831203782	ZROGDNPIQPIPCZ-MXWKQRLJSA-N	295.383	1.887	10	20	CDCD	
O=C(NCc1ccc(N2CCOCC2)cc1)c1ncccn1	735852054	GVZUQGQCWQCVOB-UHFFFAOYSA-N	298.346	1.243	10	20	CDCD	
O=C(O)CCSCCNC(=O)c1cc(O)cs1	739743438	HMBIWZYBVBDBOF-UHFFFAOYSA-N	275.351	1.391	10	20	CDCD	
O=C(CCCNC(=O)c1cc(O)cs1)NC1CC1	732272091	GVHLENXBWRQHGI-UHFFFAOYSA-N	268.338	1.242	10	20	CDCD	
COCn1ccc(C(=O)NCc2cc(OC)ccc2O)n1	830543614	AJYBEDZRTRSFRX-UHFFFAOYSA-N	291.307	1.131	10	20	CDCD	
CN1CCCc2cc(CNC(=O)N3CCNCC3)ccc21	841760344	UOMOGYQONXISTO-UHFFFAOYSA-N	288.395	1.184	10	20	CDCD	
COc1ccc(N(C)CCN(C)C(=O)CCCN)cc1	846697676	UOIWQTRGEYSSSH-UHFFFAOYSA-N	279.384	1.329	10	20	CDCD	
CCc1cc(CNC(=O)NCCc2ccc(N)cc2)n[nH]1	841831829	JCZSNVFBUDLPBR-UHFFFAOYSA-N	287.367	1.596	10	20	CDCD	
C[C@H](NC(=O)N(C)CCN)c1ccc(N(C)C)cc1	841882174	XDTGVCNHOTXDOU-NSHDSACASA-N	264.373	1.414	10	20	CDCD	
COc1cccc([C@H](C)NCc2cn(C)nn2)c1O	846161736	CCEGUULYGMKUSD-VIFPVBQESA-N	262.313	1.380	10	20	CDCD	
C[C@@H]1CC[C@H](NC(=O)C(=O)Nc2ccc(N)cc2)C1	841095103	AFFFNWLIMUTXND-SKDRFNHKSA-N	261.325	1.512	10	20	CDCD	
COc1ccc(CNC(=O)N[C@@H]2CCC[C@@H](N)C2)c(O)c1	841981979	LWPYHWQABTZFCO-VXGBXAGGSA-N	293.367	1.470	10	20	CDCD	
Cn1cncc1[C@@H]1C[C@H]1C(=O)NCCc1ccc(N)cc1	911783012	OATYRTLBAWPKHV-ZIAGYGMSSA-N	284.363	1.465	10	20	CDCD	
CC(C)n1cc(CNC(=O)c2cc(O)cs2)nn1	848387567	XJHZRWAPJZYSBW-UHFFFAOYSA-N	266.326	1.556	10	20	CDCD	
C[C@H]1CN(Cc2ccc(N3CCOCC3)cc2)[C@H](C)CN1	843119667	BDRTWUBBPYQKCH-LSDHHAIUSA-N	289.423	1.705	10	20	CDCD	
NC(=O)[C@H](Cc1ccccc1)OC(=O)c1cc(O)cs1	754814545	GJNAPKVLBXRBAQ-NSHDSACASA-N	291.328	1.707	10	20	CDCD	
COC[C@@](C)(O)CN[C@H](C)c1cc(F)cc(F)c1O	756577939	SWXSDTZMAUIPGP-OQPBUACISA-N	275.295	1.718	10	20	CDCD	
COc1cc(Cl)cc(CN[C@@H]2CCN(C(C)=O)C2)c1O	857068163	LDLMDKFSFIHRRU-GFCCVEGCSA-N	298.770	1.765	10	20	CDCD	
CON(C)C(=O)[C@@H](C)N[C@H](C)c1cc(C)ccc1O	858586274	BWNDYASCQSHKSA-GHMZBOCLSA-N	266.341	1.760	10	20	CDCD	
C[C@H]1CN(CCNC(=O)c2cc(O)cs2)[C@H](C)CO1	855407392	MCVRSDLBHSLBPI-ZJUUUORDSA-N	284.381	1.293	10	20	CDCD	
C[C@@H]1CN(CCN[C@H](C)c2cc(F)ccc2O)CCO1	756546938	WARSBLHZHJCXGI-VXGBXAGGSA-N	282.359	1.903	10	20	CDCD	
C[C@@H](NC(=S)NCCCN(C)C)c1ccccc1O	865269440	MJNOUPWNJWLPMA-LLVKDONJSA-N	281.425	1.869	10	20	CDCD	
O=Cc1ccc(OCC(=O)NCc2ccccc2O)cc1	769366200	VPAMIJDKMGCWTG-UHFFFAOYSA-N	285.299	1.900	10	20	CDCD	
O=C1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2O)CCCN1	769115087	NUZDTDOTSQOFPR-UHFFFAOYSA-N	299.714	1.276	10	20	CDCD	
CCCN1CCCC[C@@H]1C(=O)NCc1ccc(O)cc1O	1119649359	XIRBXMZOWHYEFO-CQSZACIVSA-N	292.379	1.979	10	20	CDCD	
O=[N+]([O-])c1cc(Cl)cc(CNC[C@H]2C[C@H](O)C2)c1O	873177399	JZYJGVOFFBXIFD-GVJMRKKJSA-N	286.715	1.814	10	20	CDCD	
Cc1ccc(CNC[C@]2(O)CCO[C@H]2C)c(O)c1	877489022	JPMCHYNYLPWVFS-SMDDNHRTSA-N	251.326	1.330	10	20	CDCD	
CCOC(=O)c1cc(CNCc2cc(C)ccc2O)[nH]n1	1118884357	GGZXGXJDAFFLRN-UHFFFAOYSA-N	289.335	1.890	10	20	CDCD	
Cc1ccc(CNC2(CCO)CCN(C)CC2)c(O)c1	877360865	OKPLGTJMYFGYFY-UHFFFAOYSA-N	278.396	1.637	10	20	CDCD	
COC[C@H](C)NC(=O)/C=C/c1ccc(O)c(O)c1	779473721	YXFLRNVPQPVDCL-DNQSNQRASA-N	251.282	1.262	10	20	CDCD	
C[C@H](NCC(C)(C)OCCO)c1c(O)cccc1F	886611045	REUQNHUSJMIWHV-JTQLQIEISA-N	271.332	1.969	10	20	CDCD	
CCn1cc(NC(=O)c2c(F)ccc(O)c2O)ccc1=O	789961220	XQYURIWNAFSMBW-UHFFFAOYSA-N	292.266	1.671	10	20	CDCD	
CC(C)N1CC[C@@H](N(C)C(=O)NCc2ccc(N)cc2)C1	1120592359	VWHKQVHEWHGOKS-OAHLLOKOSA-N	290.411	1.893	10	20	CDCD	
Nc1ccc(CNC(=O)N2CCC[C@H](CCO)CC2)cc1	1120591670	FHFQPUXPRVKGSS-ZDUSSCGKSA-N	291.395	1.963	10	20	CDCD	
COc1cc(C)cc(CN2CCC[C@@]23CCOC3=O)c1O	894496813	FRCPJTMBMHNRRV-INIZCTEOSA-N	291.347	1.991	10	20	CDCD	
CN(C)c1ccc([C@H](CN=c2nc[nH]n2C)N(C)C)cc1	897522015	KODVSYTVSLLCSM-AWEZNQCLSA-N	288.399	1.018	10	20	CDCD	
O=C(N[C@@H]1CCN(C2CC2)C1)c1c(F)ccc(O)c1O	789963396	MHIJIMAVMCBZER-MRVPVSSYSA-N	280.299	1.203	10	20	CDCD	
CCCN(CC(N)=O)Cc1cc(C)cc(OC)c1O	894851488	MGDPDAXQKXVSOR-UHFFFAOYSA-N	266.341	1.407	10	20	CDCD	
CC[C@H](NC[C@@]1(O)CCOC1)c1ccc(C)cc1O	794815410	KKNJLSHHRQGPBH-ZFWWWQNUSA-N	265.353	1.893	10	20	CDCD	
CC[C@@H]1C(=O)NCCCN1Cc1cc(OC)ccc1O	898544999	FMLSKGYVQVYGHG-CYBMUJFWSA-N	278.352	1.501	10	20	CDCD	
CN1CCC[C@@H]1CNCc1cc(F)cc(F)c1O	708549453	QTLMKGHXMUKXDA-LLVKDONJSA-N	256.296	1.854	10	20	CDCD	
COc1cccc(O)c1CNC[C@](C)(O)CSC	738440033	KVCJUFIZDUFKJS-ZDUSSCGKSA-N	271.382	1.604	10	20	CDCD	
CN1CC[C@@H](NCc2ccc(Br)cc2O)C1	691431401	VXNLCSSLQKJFJO-LLVKDONJSA-N	285.185	1.948	10	20	CDCD	
CCN(CCS(C)(=O)=O)Cc1cc(Cl)ccc1O	93816034	JPOVSHGFZSLZSN-UHFFFAOYSA-N	291.800	1.912	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CO[C@H]2CCOC2)cc1F	1319358903	ACFGHCUUCTYBOH-LBPRGKRZSA-N	296.342	1.313	10	20	CDCD	
OCCCCCCNCc1cc2c(cc1O)OCO2	224946429	KNHMUUBYFMZVDM-UHFFFAOYSA-N	267.325	1.763	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NCC(C)(C)C(=O)O)c1	1600465218	SWEQEADABQJNPU-UHFFFAOYSA-N	280.324	1.611	10	20	CDCD	
O=C(NCc1ccccc1O)Nc1ccc(C(=O)O)nc1	1608472839	JIZOXQZUSUEIHR-UHFFFAOYSA-N	287.275	1.807	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC[C@]2(O)CCCNC2)c1	1574034095	WOIHCADFVKUBIW-ABAIWWIYSA-N	280.368	1.166	10	20	CDCD	
C[C@@H](NC[C@H]1CCC2(CNC2)O1)c1ccccc1O	1579414457	DLIXVVGQQAAYSF-VXGBXAGGSA-N	262.353	1.564	10	20	CDCD	
Oc1cc(F)c(F)cc1CN1CC[C@]12CCCNC2	1580888399	KICQDLDNLAAHCZ-AWEZNQCLSA-N	268.307	1.998	10	20	CDCD	
CN(C)c1ccc(/C=C/CN[C@](C)(CO)C(=O)O)cc1	1598314114	BHMROBUZDGALSB-MBVDDHJVSA-N	278.352	1.191	10	20	CDCD	
CCCN(C(=O)/C=C/c1ccc(O)c(O)c1)[C@@H](C)C(=O)O	1595817973	ZBGQHHURFPYTAL-STUBTGCMSA-N	293.319	1.823	10	20	CDCD	
CCN1CCN(Cc2cc(OC)ccc2O)[C@@H](C)C1	809698082	VNDGMDROKGHLBV-LBPRGKRZSA-N	264.369	1.927	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N2CCC(N)CC2)cc1	841653282	IRIABIFCNXJRFQ-UHFFFAOYSA-N	276.384	1.385	10	20	CDCD	
NCC[C@@H]1CCCN(C(=O)Cc2ccc(N)cc2)C1	834703066	DNLQHZVQODUYSF-ZDUSSCGKSA-N	261.369	1.399	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@]12CCCNC2	848398748	WKZPDFPHFAVMLO-BBRMVZONSA-N	274.364	1.740	10	20	CDCD	
Cc1cccc(O)c1CN1C[C@H](C)S(=O)(=O)[C@@H](C)C1	877541170	CUHBPQFKERBXAS-RYUDHWBXSA-N	283.393	1.708	10	20	CDCD	
COc1ccc(O)c(CNCCCN2CCOCC2)c1	20142076	MESPDJMOFCOSOS-UHFFFAOYSA-N	280.368	1.213	10	20	CDCD	
COc1ccc(O)c([C@H](C)N[C@H](C)c2nncn2C)c1	37017192	KJIOKISTMGKAPT-VHSXEESVSA-N	276.340	1.941	10	20	CDCD	
O=S1(=O)CCC[C@@H](NCc2cc(F)cc(F)c2O)C1	708558594	KIBJZDQXOCDRAP-SNVBAGLBSA-N	291.319	1.337	10	20	CDCD	
Cc1ccc(O)c([C@H](C)N[C@@H]2COCC[C@H]2O)c1	710875440	DBMZWPAVSLZWND-ZKYQVNSYSA-N	251.326	1.501	10	20	CDCD	
COC[C@H]1CN(Cc2cc(OC)c(C)cc2O)CCO1	179445000	XWXOGLCRPMQCFP-CYBMUJFWSA-N	281.352	1.556	10	20	CDCD	
Nc1ccc(CNC(=O)N(CCCCO)C2CC2)cc1	1346739414	QLWQEJVLXDPTFS-UHFFFAOYSA-N	277.368	1.715	10	20	CDCD	
Cc1nnc(NCc2ccc(N3CCOCC3)cc2)o1	181497876	NBAHIKKXKNRKCZ-UHFFFAOYSA-N	274.324	1.827	10	20	CDCD	
CCN(C)c1ccc([C@H](C)NCCS(=O)(=O)NC)cc1	187190955	RIANKRVTAZFWLU-LBPRGKRZSA-N	299.440	1.343	10	20	CDCD	
CCOCc1cc(CN[C@@]2(CO)CCOC2)ccc1OC	184182853	NECALEZHUOOXQJ-MRXNPFEDSA-N	295.379	1.473	10	20	CDCD	
CCOC(=O)N1CC[C@@H](NCc2cccc(OC)c2O)C1	185777725	BTBFNSWFPLWVTI-GFCCVEGCSA-N	294.351	1.721	10	20	CDCD	
COc1ccc(O)c(CNC(=O)CCc2ccncn2)c1	191858074	DYNVJTWBYUJWEO-UHFFFAOYSA-N	287.319	1.440	10	20	CDCD	
COc1cccc(CN[C@H](C)CCN(C)C)c1O	49553128	CNTJOOXCPUZCIJ-LLVKDONJSA-N	252.358	1.831	10	20	CDCD	
CCOc1ccc(O)c(CN[C@@H](C)CN2CCOCC2)c1	237055682	VLMGOGHQJLLZNU-ZDUSSCGKSA-N	294.395	1.601	10	20	CDCD	
C[C@H](C[S@@](C)=O)N[C@H](C)c1ccc(F)cc1O	248521330	RKXSJIJXDDJRQR-CGMALJKESA-N	259.346	1.949	10	20	CDCD	
C[C@@H]([C@H](C)S(C)(=O)=O)N(C)Cc1cc(F)ccc1O	180159603	MLJJAFRGQNYEMK-UWVGGRQHSA-N	289.372	1.785	10	20	CDCD	
COCC[C@](C)(O)CNCc1ccc(N(C)C)c(F)c1	265245007	MRSKVLADLFSYDM-HNNXBMFYSA-N	284.375	1.769	10	20	CDCD	
CN(Cc1cnc(N(C)C)nc1)Cc1ccccc1O	271147160	ZFHUEHJABBTMOH-UHFFFAOYSA-N	272.352	1.880	10	20	CDCD	
COc1cccc(CNC(=O)CSCC(C)=O)c1O	279946659	RYDYAZFBGNGLIX-UHFFFAOYSA-N	283.349	1.339	10	20	CDCD	
C[C@H]1C[C@@H](N2CCOCC2)CN1Cc1cc(F)ccc1O	289550433	IMSLIXNICDAQQZ-SWLSCSKDSA-N	294.370	1.826	10	20	CDCD	
C[C@H](NC(=O)c1c(F)ccc(O)c1O)C(=O)OC(C)(C)C	295309106	KLXCLZQCTXWDSU-ZETCQYMHSA-N	299.298	1.697	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNCc2cncn2C)c1O	291562850	NFFFLCZGCRVSTJ-UHFFFAOYSA-N	292.295	1.332	10	20	CDCD	
O=C(NCCC1(O)CCOCC1)c1cc(O)cs1	807684253	SMRNHHZIQIBQDS-UHFFFAOYSA-N	271.338	1.115	10	20	CDCD	
O=C(NCc1ccccc1O)[C@@H]1CCc2cncn2C1	816912480	ZGBXXMRJZNIUBB-GFCCVEGCSA-N	271.320	1.468	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC[C@@H]2CNCCCO2)c1	817981394	IWILPSZTYGILGQ-AAEUAGOBSA-N	280.368	1.430	10	20	CDCD	
CCN1CCN(c2ccc(CNC[C@@H](C)O)cc2F)CC1	819033110	NIEKCHNTEOLZGF-CYBMUJFWSA-N	295.402	1.438	10	20	CDCD	
C[C@H](CN)N[C@H](C)c1ccc(N2CCOCC2)c(F)c1	817966243	JOQBGXUHCWVDMT-VXGBXAGGSA-N	281.375	1.660	10	20	CDCD	
CC[C@@H](O)CNCc1ccc(N2CCC(O)CC2)c(F)c1	819122172	RZAYCPAJVGIGEU-CYBMUJFWSA-N	296.386	1.647	10	20	CDCD	
COc1ccc(N2CCC(N[C@@H](C)C3CNC3)CC2)cc1	817902931	BYAZNSUQLJGNFM-ZDUSSCGKSA-N	289.423	1.862	10	20	CDCD	
c1cc2c(cc1CNCc1ccc(-c3nn[nH]n3)o1)CCO2	823767848	YWSOCAHTTHRUSR-UHFFFAOYSA-N	297.318	1.684	10	20	CDCD	
CC[C@@H](C[C@@H](C)CO)NC(=O)c1c(F)ccc(O)c1O	827472412	GFIXEWBVVLTLAB-BDAKNGLRSA-N	285.315	1.764	10	20	CDCD	
CCOc1ccc(CN(C)[C@@H](C)C(=O)O)c(O)c1	820387626	VHXAEZSOBOVHSF-VIFPVBQESA-N	253.298	1.696	10	20	CDCD	
Cc1cc(O)c(CN2CCN3CCOC[C@H]3C2)cc1Cl	825505457	ZFOCIBGPBUDVSR-CYBMUJFWSA-N	296.798	1.870	10	20	CDCD	
CC1=NO[C@H](C(=O)NCc2ccc3c(c2)CCCN3C)C1	824682250	BYRYOSZPVVGWLH-HNNXBMFYSA-N	287.363	1.850	10	20	CDCD	
CCc1cc(C(=O)NCc2cc(C)ccc2O)n(C)n1	824904843	ZPUPLPVKIBRJCF-UHFFFAOYSA-N	273.336	1.927	10	20	CDCD	
O=C1OCCN1C1CCN(Cc2cc(F)ccc2O)CC1	827741033	MDFZGWZPCVZCLS-UHFFFAOYSA-N	294.326	1.948	10	20	CDCD	
C[C@@H](NC(=O)c1cc(O)cs1)C(=O)OC(C)(C)C	732290354	UTWPLLRARPXFMN-SSDOTTSWSA-N	271.338	1.914	10	20	CDCD	
C[C@H]1COCCN1CCN[C@@H]1CCc2cccc(O)c21	834566319	JTMJIDFZIQWFNI-GXTWGEPZSA-N	276.380	1.690	10	20	CDCD	
C[C@H](OC(=O)c1cc(O)cs1)C(=O)NCC(F)(F)F	732354667	PXKDGPJPVZUTBG-YFKPBYRVSA-N	297.254	1.678	10	20	CDCD	
CNC(=O)C1(NCc2ccc3c(c2)CCO3)CCCC1	734000030	OKEBRFPSIZDSKW-UHFFFAOYSA-N	274.364	1.770	10	20	CDCD	
O=C(NC[C@H](O)COc1ccccc1)c1cc(O)cs1	731869807	WIHIMPRBTHMGQY-NSHDSACASA-N	293.344	1.623	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N[C@H]1CC12CCOCC2	836865785	AENCFOOFKDNKSN-XBPVQUQDSA-N	289.331	1.796	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)c1ccnc(C(=O)O)c1	830859346	FZDKCSWRMIUWTO-UHFFFAOYSA-N	286.287	1.758	10	20	CDCD	
CO[C@H](CC(C)C)C(=O)OCC(=O)c1ccc(O)c(O)c1	842112232	DCJIQXQSZSQTEU-CQSZACIVSA-N	296.319	1.885	10	20	CDCD	
COCCN(C)CCN(C)c1ccc(OC)cc1	844399896	RTGGAALUBGRCKL-UHFFFAOYSA-N	252.358	1.710	10	20	CDCD	
CSC[C@](C)(O)CNC(=O)NCCc1ccc(N)cc1	841954165	JEPYSQDGPVZVAO-CQSZACIVSA-N	297.424	1.225	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CSCN2)c1	843489056	CJRLQYGPFNNITG-GZMMTYOYSA-N	282.365	1.241	10	20	CDCD	
CCOc1ccc(CN[C@@H]2CCOC[C@H]2O)c(O)c1	858300705	MLNWFUTWUFMDJG-TZMCWYRMSA-N	267.325	1.030	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)NC/C=C\CO	853749302	OTFLCOCNJSCVSZ-PLNGDYQASA-N	277.368	1.409	10	20	CDCD	
CCOCC[C@H](O)CN[C@@H](C)c1cc(OC)ccc1O	769785335	AIJPVHBMQKCKLZ-RYUDHWBXSA-N	283.368	1.839	10	20	CDCD	
COCCCOCC(=O)NCc1cc(C)ccc1O	862757161	JLNPDKZTSIDERI-UHFFFAOYSA-N	267.325	1.370	10	20	CDCD	
CNS(=O)(=O)[C@H]1CCCN(Cc2ccc(C)cc2O)C1	876735530	DPFCLCLIXOUDRJ-ZDUSSCGKSA-N	298.408	1.214	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)[C@@H]1CCN(C)C1=O	776137821	ZYWFVDXJQQPWJE-CYBMUJFWSA-N	290.363	1.609	10	20	CDCD	
O=C(O)[C@@H](CCO)NCc1cc(Cl)cc(Cl)c1O	1119613183	CWAKCRPRJABKKZ-SECBINFHSA-N	294.134	1.624	10	20	CDCD	
CCNC(=O)[C@@H](NCc1ccc(C)cc1O)C(C)C	877550873	SAXPIUNIUHXJCQ-AWEZNQCLSA-N	264.369	1.951	10	20	CDCD	
C[C@@H]1CN(C(=O)CN[C@H](C)c2ccccc2O)CCO1	879647614	GDOQPVCURCIREY-VXGBXAGGSA-N	278.352	1.290	10	20	CDCD	
C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)NCc1ccc(N)cc1	1120677811	XIPXWTTXWMINEX-IUODEOHRSA-N	290.411	1.750	10	20	CDCD	
COc1ncc(/C=C/C(=O)N(C)Cc2ccccc2O)cn1	775875830	SOGNTTAPKAELRS-BQYQJAHWSA-N	299.330	1.863	10	20	CDCD	
CCN(C)C(=O)CN[C@H](C)c1c(O)cccc1F	886595010	ZBIMBAGRNNXJPK-SECBINFHSA-N	254.305	1.660	10	20	CDCD	
C[C@@H]1Cc2cc(N3CCNCC3)ccc2N(C)C1=O	71476984	UHEPMITZEZXYIN-LLVKDONJSA-N	259.353	1.251	10	20	CDCD	
COc1ccc(CN2CC(=O)N(C)C[C@@H]2C)c(O)c1OC	893884947	ILQBSJCFKFDIPL-JTQLQIEISA-N	294.351	1.072	10	20	CDCD	
O=C(NC[C@@H]1CC(=O)N(C2CC2)C1)c1cc(O)cs1	780812452	QRUIXNIHADTZKU-QMMMGPOBSA-N	280.349	1.194	10	20	CDCD	
COc1cc(O)c(CNCC[C@@H](C)N(C)C)cc1OC	895296542	OLAOBFVCIKMYAU-LLVKDONJSA-N	282.384	1.839	10	20	CDCD	
COCC1(C(=O)OCC(=O)c2ccc(O)c(O)c2)CC1	784583708	BKWAFNNBUCRINS-UHFFFAOYSA-N	280.276	1.250	10	20	CDCD	
COc1ccc(CNC[C@@H]2CCOC2)c(O)c1OC	892567744	VKUCIZLWHPPTKD-JTQLQIEISA-N	267.325	1.536	10	20	CDCD	
C[C@H](NC[C@]1(O)CCN(C)C1)c1ccccc1O	702572720	IKZNFFOATRQMCV-SMDDNHRTSA-N	250.342	1.109	10	20	CDCD	
COC[C@@](C)(O)CNCc1ccc2c(c1)CCO2	69912455	MJHUKUHQMWYICD-AWEZNQCLSA-N	251.326	1.109	10	20	CDCD	
CN(C)c1ccc(CNC[C@@H]2[C@H](C(=O)O)C2(F)F)cc1	715281809	VRQZOVFSZYIKFQ-VXGBXAGGSA-N	284.306	1.808	10	20	CDCD	
CCc1cccc(CN[C@H](C)c2nncn2C)c1O	691520531	DOFUPZMHNCMXSM-SNVBAGLBSA-N	260.341	1.934	10	20	CDCD	
CC[C@H](NCc1cccc(OC)c1O)C(=O)NC	697861297	YREOOJZKPWRQIQ-JTQLQIEISA-N	252.314	1.015	10	20	CDCD	
CC[C@@H](C)[C@@H](C)NC(=O)C(=O)N(C)Cc1ccccc1O	1323055952	GCAVWCYKJSACRA-VXGBXAGGSA-N	292.379	1.901	10	20	CDCD	
CN(C)c1ccc(CN[C@@H]2CCO[C@@](C)(C(=O)O)C2)cc1	1332031735	XVPDAYUKFGBJCH-CZUORRHYSA-N	292.379	1.865	10	20	CDCD	
C[C@H]1CN(C(=O)NCc2ccc(N)cc2)CC[C@H]1O	1335727081	YLUHVWJSFPIFFL-GXFFZTMASA-N	263.341	1.181	10	20	CDCD	
COc1cccc(O)c1CN(C)C[C@H](C)C(=O)O	1594131840	QEDYVKQBAVGLHJ-VIFPVBQESA-N	253.298	1.553	10	20	CDCD	
O=C(O)Cc1occc1C(=O)NCc1cc(O)ccc1O	1602155530	MHQJMSRHIXVJAQ-UHFFFAOYSA-N	291.259	1.248	10	20	CDCD	
CCn1cc(CNCc2ccc(C(=O)O)cc2O)cn1	1777006653	WJAUXVZHMBGJNO-UHFFFAOYSA-N	275.308	1.597	10	20	CDCD	
CO[C@]1(CNCc2ccc3c(c2)CCO3)C[C@H](C(=O)O)C1	1777249787	JKGZNZTVMZWLJB-AKAXFMLLSA-N	291.347	1.591	10	20	CDCD	
C[C@@]1(C(=O)NCCc2ccc(O)c(O)c2)CCCCO1	837480076	DWIONPPDKZMUPM-HNNXBMFYSA-N	279.336	1.716	10	20	CDCD	
O=C1NCCC[C@@H]1CNCc1cc(Cl)ccc1O	839195366	HTDYDJBOZQKJLF-SECBINFHSA-N	268.744	1.661	10	20	CDCD	
CC(C)(C)[C@H](C(=O)O)C(=O)NCc1ccccc1O	852941920	COOJPUDVRGYHHP-NSHDSACASA-N	265.309	1.755	10	20	CDCD	
O=C(NC[C@@H]1CCC[C@@H](O)C1)c1cccc(O)c1O	187124235	YANBWGITWTXVMJ-NXEZZACHSA-N	265.309	1.379	10	20	CDCD	
CCCN1CC[C@@H](NCc2cccc(OC)c2O)C1	389557562	SGQMEKMGYUQJEQ-CYBMUJFWSA-N	264.369	1.975	10	20	CDCD	
CN1CCCc2cc(CNC(=O)[C@@H]3CCCO3)ccc21	69950476	GGIIMTOBGOIRSQ-HNNXBMFYSA-N	274.364	1.864	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)[C@H]2CNCCO2)cc1	178712567	YFYBUVVKVYTJKH-OAHLLOKOSA-N	291.395	1.137	10	20	CDCD	
Cc1ccc(C(=O)N2CCOC[C@H]2C2CC2)c(O)c1O	182945700	XBTBIEZTGDONFE-LBPRGKRZSA-N	277.320	1.657	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CC[C@H](CN2CCCC2)C1	187117552	WBXLLJAOWLMLJW-GFCCVEGCSA-N	290.363	1.656	10	20	CDCD	
O=[N+]([O-])c1ccc(O)c(CN[C@@H]2CCC[C@@H]2CCO)c1	189929901	KTKZODRELFFOIS-ZWNOBZJWSA-N	280.324	1.941	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc(N)cn1	449367150	ZOXOWPIVNUTMPE-UHFFFAOYSA-N	298.346	1.769	10	20	CDCD	
C[C@H](NC[C@@H]1COCCN1)c1cc(F)ccc1O	530226675	PTXZDPBLSVSORU-GXSJLCMTSA-N	254.305	1.170	10	20	CDCD	
CCn1cnc2c(NCCc3ccc(O)c(O)c3)ncnc21	268013612	XAUPSGJKGMLYPU-UHFFFAOYSA-N	299.334	1.912	10	20	CDCD	
O=C(C[C@@H]1CCCO1)NCc1ccc(O)c(O)c1	269109620	QYDRJVLCCFYCMP-JTQLQIEISA-N	251.282	1.283	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H]2CCCOCC2)c1O	278544272	XWLXMWFJCWZOKA-LLVKDONJSA-N	296.323	1.968	10	20	CDCD	
CCN(C)CCN[C@@H](C)c1cc([N+](=O)[O-])ccc1O	273384052	IZHCIRZBFSCKTO-JTQLQIEISA-N	267.329	1.903	10	20	CDCD	
Cc1cc(C)c([C@H](C)NCc2nncn2C)c(O)c1	283843045	AYZAKZFWVTZZGA-NSHDSACASA-N	260.341	1.988	10	20	CDCD	
Cc1ccc(O)c(CN2CCC[C@](F)(CO)C2)c1	289722295	HHYJNJIGYWYUDJ-CQSZACIVSA-N	253.317	1.997	10	20	CDCD	
O=C(NCCN[C@@H]1CCc2cccc(O)c21)c1ccco1	295773875	ALZUMPDJZGJWBB-GFCCVEGCSA-N	286.331	1.992	10	20	CDCD	
CC(C)N1CCCN(C(=O)c2c(F)ccc(O)c2O)CC1	295112279	LGXIXMMRGHKYNR-UHFFFAOYSA-N	296.342	1.793	10	20	CDCD	
COC[C@@H](O)CN[C@H](C)Cc1ccc(N(C)C)cc1C	819377135	MZRSSONHKOBTEC-CJNGLKHVSA-N	280.412	1.589	10	20	CDCD	
CSC[C@H](O)CNCc1ccc(N2CCOCC2)cc1	818972058	CJAUCYFZZZFYMY-OAHLLOKOSA-N	296.436	1.337	10	20	CDCD	
Cc1ccc([C@H](C)NC[C@@H]2CNCCCO2)c(O)c1	817981030	GCVNMVAFMUWHPA-STQMWFEESA-N	264.369	1.730	10	20	CDCD	
COc1ccc(O)c(CNC[C@@H]2CCCN2CCCO)c1	824564919	NWXJBSUMKRVDDY-AWEZNQCLSA-N	294.395	1.337	10	20	CDCD	
C[C@H](C[C@@H]1CCOC1)NC(=O)c1c(F)ccc(O)c1O	826908888	HBZCOHCEKREFKR-BDAKNGLRSA-N	283.299	1.782	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(CN)o2)c1	828667228	OLERFVAYTUYVAG-SECBINFHSA-N	290.319	1.944	10	20	CDCD	
CCCN[C@@H](C)C(=O)N(C)Cc1ccccc1O	827210549	UPVRFFFOOJUJSW-NSHDSACASA-N	250.342	1.739	10	20	CDCD	
C[C@H](NC(=O)[C@@H]1C[C@@H]1C(N)=O)c1ccc(N(C)C)cc1	907491826	HMAKQCZSLPWMFK-TVYUQYBPSA-N	275.352	1.051	10	20	CDCD	
COc1ccc(O)c(CNC(=O)CCc2nc(C)no2)c1	734018239	KHLVUGYJRSTMLN-UHFFFAOYSA-N	291.307	1.341	10	20	CDCD	
COc1cccc(CNC(=O)c2nonc2C)c1O	736674578	CPNDUAHSXFBXES-UHFFFAOYSA-N	263.253	1.022	10	20	CDCD	
O=C(CNCc1cc(Cl)cc(F)c1O)NC1CC1	839099300	WDKPQSVDAIDYTF-UHFFFAOYSA-N	272.707	1.553	10	20	CDCD	
CN(CC(C)(C)O)c1ccc(/C=C/C(=O)O)cc1[N+](=O)[O-]	737407709	FDSYFPQMTOZUFB-FNORWQNLSA-N	294.307	1.900	10	20	CDCD	
O=C(NC[C@H](CO)Cc1cccnc1)c1cc(O)cs1	834411109	GOUAGYZBWOUWMZ-LLVKDONJSA-N	292.360	1.430	10	20	CDCD	
CNC(=O)[C@@H](C)CN(C)Cc1ccc(N(C)C)cc1C	840922167	JMTHETFMYMHDOP-ZDUSSCGKSA-N	277.412	1.875	10	20	CDCD	
COc1cccc([C@H](C)NCCn2cccn2)c1O	846147243	TWJGVYCNVYMXAM-NSHDSACASA-N	261.325	1.948	10	20	CDCD	
COc1cc(O)c(CN[C@H]2CCC[C@@H](N)C2)cc1OC	841058108	PSZNMEPSEZKMBW-NEPJUHHUSA-N	280.368	1.769	10	20	CDCD	
CNCCCNC(=O)NCc1ccc(N(C)C)cc1	841656264	ZCPLXXPBOAIHLF-UHFFFAOYSA-N	264.373	1.161	10	20	CDCD	
CCC[C@](C)(N)C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1	841846640	RIOLEWQVOCNQBQ-ZBFHGGJFSA-N	292.427	1.386	10	20	CDCD	
CC[C@H](NC)C(=O)NCc1ccc2c(c1)CCCN2C	852799369	SHHKKAVRSUYLJO-AWEZNQCLSA-N	275.396	1.683	10	20	CDCD	
Cc1ccc(O)c(CNCc2cnc3n2CCOC3)c1	922284654	SGXZPPGPKNVUFH-UHFFFAOYSA-N	273.336	1.717	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H]2CCN2C)c1	925410298	ZPLDNIOKEGCFBJ-MNOVXSKESA-N	293.367	1.465	10	20	CDCD	
CN(C)c1ccc(CNc2cc(=O)n(C)c(O)n2)cc1	1336444742	IRMIPGYDZOZDHC-UHFFFAOYSA-N	274.324	1.164	10	20	CDCD	
CO[C@H]1C[C@H](NC(=O)c2c(F)ccc(O)c2O)C1	863943567	GKQWHPSWKKGIBW-LJGSYFOKSA-N	255.245	1.144	10	20	CDCD	
CN(C)c1ccc(CN2CCO[C@@H]3COCC[C@@H]32)cc1	933965770	HCXUYHQSINUJKZ-JKSUJKDBSA-N	276.380	1.742	10	20	CDCD	
CCNC(=O)CC(=O)C(=O)CC(C)(C)CC(=O)OCC	935948839	RBTPHJNXXINAAD-UHFFFAOYSA-N	285.340	1.020	10	20	CDCD	
C=CC(=O)N(C)CC(=O)N[C@@H](C)c1cc(OC)ccc1O	860242421	QTGNTAQVMZNUJA-JTQLQIEISA-N	292.335	1.222	10	20	CDCD	
CCCNC(=O)CNC(=O)N[C@H](C)c1ccccc1O	867978703	SOZGZJWOQLLODD-SNVBAGLBSA-N	279.340	1.279	10	20	CDCD	
CC1(C)CN(Cc2cc3c(cc2O)OC[C@@H]3O)CCCO1	768447258	NTSKLWFVPCOSOT-AWEZNQCLSA-N	293.363	1.819	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)c1nccn2ccnc12	768903481	FSGQEJOMPLAOSZ-UHFFFAOYSA-N	298.302	1.113	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N[C@H](CO)CC(F)F	760679016	RFNSINVSDCNYHO-LXOKAJLYSA-N	287.262	1.243	10	20	CDCD	
Cc1cccc(O)c1CN1C[C@@H](CO)OC(C)(C)C1	877594067	ANVRTRWXMUJRAI-LBPRGKRZSA-N	265.353	1.672	10	20	CDCD	
Cc1cccc(CNC[C@](C)(O)C(=O)OC(C)(C)C)c1O	776520472	MFITZUPALHDPPL-INIZCTEOSA-N	295.379	1.883	10	20	CDCD	
C[C@@]1(C(=O)O)C[C@H](NCc2ccc3c(c2)CCO3)CCO1	1119615785	RZUQPFSSJBOOAK-CJNGLKHVSA-N	291.347	1.733	10	20	CDCD	
CNC[C@H](C)CN[C@@H](C)c1cc(OC)ccc1O	1118060195	XOIFDCFVZKGAPS-QWRGUYRKSA-N	252.358	1.907	10	20	CDCD	
CC[C@@H]1NC(=O)N(Cc2ccc(N(C)C)cc2C)C1=O	777656244	SWAPVFVDJXJOPS-ZDUSSCGKSA-N	275.352	1.891	10	20	CDCD	
C[C@H](O)CCN(C)Cc1ccc(N2CCN(C)CC2)cc1	775701019	ALVMDNBQMWRJBN-HNNXBMFYSA-N	291.439	1.641	10	20	CDCD	
C[C@H](N[C@H]1CC(=O)N(C2CC2)C1)c1c(O)cccc1F	886550347	XWBQBDLFWPXUQB-UWVGGRQHSA-N	278.327	1.945	10	20	CDCD	
Nc1ccc(OCc2cn([C@H]3CCCC[C@H]3O)nn2)cc1	881404430	KRUKFAFTGHJUIR-LSDHHAIUSA-N	288.351	1.915	10	20	CDCD	
C[C@@H](N[C@@H](CO)C1CCOCC1)c1c(O)cccc1F	886588436	RGVIDFMYDKJHEQ-MFKMUULPSA-N	283.343	1.969	10	20	CDCD	
CCOC(=O)C[C@@H](C)NC(=O)c1ccc(C)c(O)c1O	780970492	YPQNUDGEGMSITJ-SECBINFHSA-N	281.308	1.478	10	20	CDCD	
COc1ccc(CNC[C@@]2(O)CCO[C@@H]2C)c(O)c1OC	894118100	LDGSBUCIKCKOQY-BMIGLBTASA-N	297.351	1.039	10	20	CDCD	
COC(=O)COc1ccc(N(C)Cc2cnc[nH]2)cc1	894443349	ADGHNZRFCCKTGX-UHFFFAOYSA-N	275.308	1.598	10	20	CDCD	
O=C(Cc1ccoc1)OCC(=O)c1ccc(O)c(O)c1	784787654	KZMZPXDVTMQBRO-UHFFFAOYSA-N	276.244	1.659	10	20	CDCD	
COc1cc(O)c(CNCCO[C@H]2CCOC2)cc1OC	897201344	IZTSGVJOTOALBU-LBPRGKRZSA-N	297.351	1.305	10	20	CDCD	
COc1ccc(CN[C@H]2C[C@@H](O)C2)c(O)c1OC	894777646	HTANVKQIYCQUQK-AOOOYVTPSA-N	253.298	1.022	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2CC(=O)N1CCC1	271621195	DYWAYALORRVBMF-UHFFFAOYSA-N	275.352	1.184	10	20	CDCD	
COc1ccc(O)c(CN[C@@H](CO)CC2CC2)c1	776251779	AEMWPNSJAFZFHQ-GFCCVEGCSA-N	251.326	1.651	10	20	CDCD	
Cn1cc(N2CCN(Cc3ccc(N)cc3)CC2)cn1	1335285545	PCONDXDKVGRIAY-UHFFFAOYSA-N	271.368	1.325	10	20	CDCD	
C[C@H]1CSC[C@@H]1NC(=O)NCc1ccc(N)cc1	1335524352	CDNJCHIWRGAOSV-CABZTGNLSA-N	265.382	1.820	10	20	CDCD	
O=C(c1cc(O)cs1)N1CC[C@@]2(CCOC2=O)C1	1262668204	QHAPWQHKFIHYOM-GFCCVEGCSA-N	267.306	1.233	10	20	CDCD	
COc1ccc(CNC[C@@H](O)C(C)C)c(O)c1OC	1351998317	RDKMXQGGEKAMFT-LLVKDONJSA-N	269.341	1.516	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2C[C@@H]2F)c1	1519817726	ODIHNLZSGXVTTQ-XROYCOCOSA-N	253.273	1.936	10	20	CDCD	
O=C(NCc1cccc(O)c1O)c1ccnc(C(=O)O)c1	1608470355	LPOOUYQZQWPLEV-UHFFFAOYSA-N	288.259	1.121	10	20	CDCD	
Nc1ccc(NC(=O)N[C@@H](CC(=O)O)C2CC2)cc1	1608273042	GDKJBKWGJQXCNV-NSHDSACASA-N	263.297	1.644	10	20	CDCD	
CCOc1cccc(CNc2cnn(CC(=O)O)c2)c1O	1603876205	ZRFAGFMRUCJRDE-UHFFFAOYSA-N	291.307	1.684	10	20	CDCD	
C/C(=C\C(=O)N1CCCn2ncc(N)c21)c1cnccn1	1574971163	ARMDSHZURFJKQG-JXMROGBWSA-N	284.323	1.096	10	20	CDCD	
CC[C@@H](OC(=O)c1ccc(C)c(O)c1O)C(=O)O	1589578315	LKIAQFCUOMVODU-MRVPVSSYSA-N	254.238	1.426	10	20	CDCD	
CO[C@@H](C)CN[C@@H](C)c1cccc(-c2nn[nH]n2)c1O	1591467722	VVPOUVHJXLLDCS-IUCAKERBSA-N	277.328	1.258	10	20	CDCD	
COCCC(=O)CSc1ncc(C(=O)O)s1	1599207165	BMKBCBMLENOTQC-UHFFFAOYSA-N	261.324	1.539	10	20	CDCD	
C[C@@H]1CN(Cc2cc(Cl)ccc2O)C[C@@H](C(=O)O)O1	1599866748	PYKUSDQBLQLCAO-PELKAZGASA-N	285.727	1.720	10	20	CDCD	
COCCC[C@H](NCc1cc(F)cc(F)c1O)C(=O)O	1777203433	QSGLVGHGLJWYDV-NSHDSACASA-N	289.278	1.640	10	20	CDCD	
CCCOc1ccc(CN[C@@H]2COC[C@@H]2C(=O)O)cc1C	1776821409	FGYYQPIQWZTYPC-UONOGXRCSA-N	293.363	1.973	10	20	CDCD	
CCN(CC)c1ccc(CNC[C@@](C)(O)CC(=O)O)cc1	1776861353	BUANCTBGKUSYLA-INIZCTEOSA-N	294.395	1.848	10	20	CDCD	
CO[C@@H]1CN(Cc2ccc(N(C)C)cc2)CC[C@@H]1C(=O)O	1777173146	RNXVLWKIQBELNE-LSDHHAIUSA-N	292.379	1.674	10	20	CDCD	
COc1cccc(O)c1CNCC(C)(C)OCCO	808437245	DFBAGSZTLQZPHJ-UHFFFAOYSA-N	269.341	1.278	10	20	CDCD	
C[C@@H](CCS(C)(=O)=O)N[C@H]1CCc2cccc(O)c21	834623944	CLLFXOJVKDAADT-JQWIXIFHSA-N	283.393	1.792	10	20	CDCD	
CSC[C@](C)(O)CNCc1ccc(C)cc1O	877055635	DHNCVCJAOAIHGH-CYBMUJFWSA-N	255.383	1.904	10	20	CDCD	
CN(Cc1ccccc1O)S(=O)(=O)N1CCCCC1	269839957	VUOBEKTUUUKHMN-UHFFFAOYSA-N	284.381	1.555	10	20	CDCD	
Cc1nccn1CCNC(=O)Cc1ccc(N)cc1	261594328	NLXASEQYXLXEBU-UHFFFAOYSA-N	258.325	1.133	10	20	CDCD	
COc1ccc(O)c(CNCC[C@@H](C)CCO)c1	294685973	BLINLXFFJNFWEI-LLVKDONJSA-N	253.342	1.899	10	20	CDCD	
O=C1CC[C@@H](NCc2cc(Cl)ccc2O)CCN1	396743349	IZJDSJSCVYVRBZ-LLVKDONJSA-N	268.744	1.804	10	20	CDCD	
O=C1NC(=S)NC(=O)C1=CNc1cccc2cnccc12	60860895	LPURDBDPZYQVAV-UHFFFAOYSA-N	298.327	1.062	10	20	CDCD	
C[C@H]1CCCN([C@@H](C)CNC(=O)c2cccc(O)c2O)C1	186935625	QWSHYBSFYSWEML-RYUDHWBXSA-N	292.379	1.948	10	20	CDCD	
Cc1cccc(CN2CC[C@H](S(C)(=O)=O)C2)c1O	282775913	PXXWAKIBWFEYFE-LBPRGKRZSA-N	269.366	1.320	10	20	CDCD	
CCCOc1ccc(CN(C)C[C@H](C)C(=O)NC)c(O)c1	93899432	HKWCZOQQQBGLGL-LBPRGKRZSA-N	294.395	1.995	10	20	CDCD	
COC(=O)[C@@H]1C[C@@H](O)CN1Cc1cc(C)c(C)cc1O	93103126	QJZYZYVPSURPIA-OLZOCXBDSA-N	279.336	1.117	10	20	CDCD	
CCOc1ccc(O)c(CN2CCN3C(=O)NC[C@H]3C2)c1	91865378	XTCJXEUWBOAUBG-LBPRGKRZSA-N	291.351	1.000	10	20	CDCD	
COC[C@H]1CN(Cc2cc(F)ccc2O)CCO1	180175047	RZQLHSRWYHWELY-GFCCVEGCSA-N	255.289	1.379	10	20	CDCD	
C[C@@H](CCO)CNC(=O)NCc1ccc(N(C)C)cc1	266559279	UTQTYKWDTTXDKQ-LBPRGKRZSA-N	279.384	1.570	10	20	CDCD	
Cc1cc(O)c(CNC2(CO)CCOCC2)cc1C	266162884	OEGSZUQXOAZFNT-UHFFFAOYSA-N	265.353	1.640	10	20	CDCD	
CCCOc1ccc(CNC[C@H](COC)OC)c(O)c1	272709216	UXDHCSMPGZSCEO-CQSZACIVSA-N	283.368	1.932	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)NCCC[C@H](C)O)c1	279183671	VTHQYMSTJRVMKH-WDEREUQCSA-N	281.352	1.990	10	20	CDCD	
CN(Cc1nnc2n1CCCC2)c1ccc2c(c1)OCO2	366769258	MNKHZPATFALBAL-UHFFFAOYSA-N	286.335	1.980	10	20	CDCD	
CCn1cnnc1NC(=O)c1ccc(C)c(O)c1O	285762860	KPRLOJNGSGIZCR-UHFFFAOYSA-N	262.269	1.270	10	20	CDCD	
COC(=O)c1ccc(CNCc2cccc(OC)c2O)[nH]1	289455321	NRHJNHFTWZUSER-UHFFFAOYSA-N	290.319	1.805	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc(O)n1	803089630	DSZXZTJTIJCPTG-VIFPVBQESA-N	288.303	1.559	10	20	CDCD	
CCOC(=O)[C@@H](CC(=O)NCc1ccccc1O)C(C)=O	816912310	RXQFUHHHURNWEW-LBPRGKRZSA-N	293.319	1.167	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)Cc2nnc(C)o2)c1	813489244	TXXSZTCBQIFDML-MRVPVSSYSA-N	291.307	1.512	10	20	CDCD	
Oc1cc(F)c(Cl)cc1CN1C[C@H]2CNC[C@@H]2C1	816522349	VNIJSEAOQWQZAL-NXEZZACHSA-N	270.735	1.836	10	20	CDCD	
CC(C)[C@@H](N)CN[C@H](C)c1cc([N+](=O)[O-])ccc1O	817958466	JVUHJPCKSJZMCY-SKDRFNHKSA-N	267.329	1.934	10	20	CDCD	
NCCCCC(=O)NCc1ccc(N2CCOCC2)cc1	827567521	NNOPCVKHNPFVKH-UHFFFAOYSA-N	291.395	1.268	10	20	CDCD	
C[C@H]1C[C@H](NC(=O)NCc2ccc(N(C)C)c(F)c2)CO1	826020044	ORFNMYWJYRFYHS-JQWIXIFHSA-N	295.358	1.868	10	20	CDCD	
CC1=NO[C@H](C(=O)NCCCSc2nccs2)C1	827474784	MUQOXIOOWMRBPP-VIFPVBQESA-N	285.394	1.906	10	20	CDCD	
CCOc1ccc(CNC[C@H]2COCCO2)c(O)c1	725846572	IBTBFPSGAXQIIT-ZDUSSCGKSA-N	267.325	1.296	10	20	CDCD	
O=C(NC[C@H]1CCC=CO1)c1c(F)ccc(O)c1O	829668058	PLRBKVICMKNVMR-MRVPVSSYSA-N	267.256	1.659	10	20	CDCD	
C[C@@H](NC(=O)[C@H]1CCC(=O)N1C)c1ccccc1O	827941884	ZGRZHWVHPBMYHN-MWLCHTKSSA-N	262.309	1.190	10	20	CDCD	
COc1cc(O)c(CN[C@@H]2CC[C@H]2O)cc1OC	822504710	XEWKOBLOHXXCPR-NXEZZACHSA-N	253.298	1.022	10	20	CDCD	
CC[C@H](NC(=O)c1ccc(C)c(O)c1O)[C@@H](C)O	836862858	NEWLWBCKGMZKMP-SCZZXKLOSA-N	253.298	1.295	10	20	CDCD	
COC(=O)CC(=O)NCc1ccc2c(c1)CCCN2C	906455706	TVTBSLPOYKYNFU-UHFFFAOYSA-N	276.336	1.248	10	20	CDCD	
O=C(O)[C@H]1C[C@H]1C(=O)NCc1ccc(N2CCCC2)cc1	739547648	NBTNOBKCTUVLAI-KGLIPLIRSA-N	288.347	1.624	10	20	CDCD	
CCc1cccc(CN2CCN(CCO)CC2)c1O	848877908	WQLXEQAWHCPDHO-UHFFFAOYSA-N	264.369	1.065	10	20	CDCD	
CCN(C)c1ccc(CN(CCOC)CC(=O)O)cc1	846264658	NYLOEAOIZKDIKC-UHFFFAOYSA-N	280.368	1.676	10	20	CDCD	
C[C@H](CN)N(C)Cc1cc(Cl)cc([N+](=O)[O-])c1O	843052205	PDPQZEWKLNROCQ-SSDOTTSWSA-N	273.720	1.733	10	20	CDCD	
O=C(CCN1CCCC1=O)NCc1cc(Cl)ccc1O	846472050	GDPXNHXITNDFKX-UHFFFAOYSA-N	296.754	1.674	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CO[C@H]2CCCNC2)cc1	844166955	VQSVDXNLZUWTFT-HNNXBMFYSA-N	291.395	1.137	10	20	CDCD	
C[C@@H](NC(=O)N1CC[C@H](CN)C1)c1ccc(N(C)C)cc1	841882307	INLBQLGLUMQJJR-CHWSQXEVSA-N	290.411	1.804	10	20	CDCD	
CON(C)C(=O)[C@@H](C)N[C@H](C)c1cc(F)ccc1O	858587408	NLJAPNKYKNAZOH-RKDXNWHRSA-N	270.304	1.590	10	20	CDCD	
COc1ccc(CNC(=O)N[C@H]2COC[C@H]2C)c(O)c1	926015559	IZUZGIIOYMBTDC-SKDRFNHKSA-N	280.324	1.235	10	20	CDCD	
Cc1ccc(C(=O)N=S2(=O)CCCC2)c(O)c1O	925916949	SNDNOYYHJADILA-UHFFFAOYSA-N	269.322	1.808	10	20	CDCD	
CC(C)Oc1ccc(N(C)Cc2nc(=O)n(C)[nH]2)cc1	759933867	RNFOOUGMKFGDRF-UHFFFAOYSA-N	276.340	1.532	10	20	CDCD	
Nc1nc(N)nc(NCc2ccc(N3CCCCC3)cc2)n1	858366956	FZWRIEQCKZHHSR-UHFFFAOYSA-N	299.382	1.638	10	20	CDCD	
CN(C(=O)c1cc(O)cs1)C(C)(C)CN1CCOCC1	854949647	UYLRAQLLYIJTPQ-UHFFFAOYSA-N	298.408	1.637	10	20	CDCD	
CN1C[C@@H](N(C)Cc2ccc(N(C)C)c(F)c2)CCC1=O	862428996	ZFPTZVUWTAFKQM-ZDUSSCGKSA-N	293.386	1.944	10	20	CDCD	
COc1cccc(CNC[C@H](OC)C2CCOCC2)c1O	877526962	WXJUUWATSHERMS-HNNXBMFYSA-N	295.379	1.932	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N[C@H](CCO)C1CC1	779533212	HPRNRIAUJUWSLL-DBGMKRSLSA-N	277.320	1.388	10	20	CDCD	
COc1cccc(CNC(=O)N[C@@H]2C[C@H](C)O[C@@H]2C)c1O	875988397	GTLRVTQWZJCZBU-HOSYDEDBSA-N	294.351	1.766	10	20	CDCD	
C[C@H]1OCC[C@H]1C(=O)NCc1ccc(O)c(O)c1	778914761	LOLYDLJECGARQQ-PSASIEDQSA-N	251.282	1.139	10	20	CDCD	
CC[C@]1(O)CCN(C(=O)NCc2ccc(N(C)C)cc2)C1	778272492	SGKVVQJVOWWJPY-INIZCTEOSA-N	291.395	1.809	10	20	CDCD	
COCCN1CC[C@@H](N[C@H](C)c2c(O)cccc2F)C1	886524791	QYCUUGKTOQVXLH-VXGBXAGGSA-N	282.359	1.903	10	20	CDCD	
COc1cc(C)cc(CN[C@H](CO)C2CC2)c1O	894270207	UIIJTYSTMFWHSI-GFCCVEGCSA-N	251.326	1.570	10	20	CDCD	
COc1cccc(CN2CCO[C@H](OC)C2)c1O	895971024	WGNSMCPJVZYHTK-LBPRGKRZSA-N	253.298	1.206	10	20	CDCD	
CN1CCN(c2ccc(CNCc3cnc[nH]3)cc2)CC1	895607615	RFZNSUJBPOUQJE-UHFFFAOYSA-N	285.395	1.451	10	20	CDCD	
CCC(=O)N1CC[C@@H](NCc2cc(C)cc(OC)c2O)C1	894331269	CRPRWMFFIXDHAQ-CYBMUJFWSA-N	292.379	1.810	10	20	CDCD	
CN(C)c1ccc([C@H](CNC(=O)NCCF)N(C)C)cc1	899101534	IVYUIFDKQPJKKI-AWEZNQCLSA-N	296.390	1.624	10	20	CDCD	
CCOc1ccc(CN2[C@H](C)C(=O)N[C@@H](C)[C@H]2C)c(O)c1	895113685	JTMZYKJCHXJYDT-QJPTWQEYSA-N	292.379	1.888	10	20	CDCD	
Cc1ccc(C(=O)N2CC(C(F)F)C2)c(O)c1O	780983326	MDYUSHIRAUHDRL-UHFFFAOYSA-N	257.236	1.743	10	20	CDCD	
CCN1C(=O)C(C)(C)N[C@@H]1c1ccc(OC)c(OC)c1O	899380415	OWIBKILHPUSMGS-ZDUSSCGKSA-N	294.351	1.638	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC[C@H]2C[C@@H](O)C2)c1	720939113	HIGWFMFFYNCVDC-GARJFASQSA-N	251.326	1.822	10	20	CDCD	
CCN(Cc1cc2c(cc1O)OCO2)C[C@@H]1CCOC1	738082346	QZEKQNDKAPZITL-NSHDSACASA-N	279.336	1.979	10	20	CDCD	
CN(Cc1cn(C)nn1)C(=O)Nc1ccc(N)cc1	690900356	CJWLVHWGYSOVQP-UHFFFAOYSA-N	260.301	1.061	10	20	CDCD	
C[C@@H]1COC[C@H]1NCc1cc2c(cc1O)OCO2	699833186	FTUNHDZZUPZAEC-PSASIEDQSA-N	251.282	1.245	10	20	CDCD	
O=C(O)c1cc(O)ccc1NS(=O)(=O)c1ccco1	790605990	BWVABZKDOCRPCQ-UHFFFAOYSA-N	283.261	1.484	10	20	CDCD	
Nc1ccc(CNC(=O)N2CC[C@H](O)C23CCCC3)cc1	1338794029	WWYKEICCSOSMCF-AWEZNQCLSA-N	289.379	1.858	10	20	CDCD	
CN1CCCC[C@H]1CNC(=O)/C=C/c1ccc(O)c(O)c1	1337536500	UXYVKLLYXCBENZ-CFNZNRNTSA-N	290.363	1.712	10	20	CDCD	
C[C@@H]1C[C@H](NC(=O)NCc2ccc(N)cc2)[C@@H](C)O1	1336238538	FLLGFWCMUIMWJQ-BREBYQMCSA-N	263.341	1.634	10	20	CDCD	
CCN(CC)[C@H]1CCN(C(=O)NCc2ccc(N)cc2)C1	1335736506	BMOPAKKIDDGOFS-HNNXBMFYSA-N	290.411	1.895	10	20	CDCD	
COc1cccc(CN2CCN(C)C(C)(C)C2)c1O	211404316	MJJXRBUIOVTHKM-UHFFFAOYSA-N	264.369	1.927	10	20	CDCD	
C[C@@H](N)[C@@H](C)NC(=O)NCc1cccc(Cl)c1O	1576104852	KESDUYQDNAECDH-HTQZYQBOSA-N	271.748	1.581	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)NC[C@H]1CC[C@@H](N)C1	1578496792	TYWRQKYRMXSANQ-WCQYABFASA-N	277.368	1.661	10	20	CDCD	
C[C@H](NCCSCCCO)c1cc(C(=O)O)ccc1O	1593271652	KEGQGCWDXIKWLV-JTQLQIEISA-N	299.392	1.857	10	20	CDCD	
CC(C)[C@@H](Sc1ncc(C(=O)O)s1)C(N)=O	1591051637	FJVCQXMLPZNSIB-ZCFIWIBFSA-N	260.340	1.443	10	20	CDCD	
CCN1CCc2cc(CNC[C@H](OC)C(=O)O)ccc21	1776877337	PESWVRRTKLKAMD-AWEZNQCLSA-N	278.352	1.258	10	20	CDCD	
CCN(CC)c1ccc(CN2CC[C@H](C(N)=O)C2)cc1	157210152	KNCCNDADIWXCCK-AWEZNQCLSA-N	275.396	1.840	10	20	CDCD	
C[C@@H](NCc1cc(F)ccc1O)[C@@H](O)C(F)(F)F	877693908	UEMUAJXNAAFXAF-LHLIQPBNSA-N	267.222	1.933	10	20	CDCD	
CCOC[C@H]1CN(Cc2ccccc2O)CCO1	529666802	OEDUEMRESBQKHG-CYBMUJFWSA-N	251.326	1.630	10	20	CDCD	
COc1ccc(O)c(CN[C@@H](CCO)C(C)C)c1	224869531	YNZCEWSERDBXSR-ZDUSSCGKSA-N	253.342	1.897	10	20	CDCD	
O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1CCNC1	178711147	GAOSYISWZXVQSW-AWEZNQCLSA-N	273.380	1.513	10	20	CDCD	
CCN(CC)c1ccc(CN2CCNC(=O)[C@H]2C)cc1	123532593	BYDSAYSXYGIZKO-CYBMUJFWSA-N	275.396	1.853	10	20	CDCD	
CS[C@@H](C)CC(=O)NCCc1ccc(O)c(O)c1	122563209	CYWCJJVNPZRPHN-VIFPVBQESA-N	269.366	1.898	10	20	CDCD	
Cc1ccc(C(=O)N[C@H]2CCC[C@@H]2CCO)c(O)c1O	187839912	HOZZRHICZRWUEX-PWSUYJOCSA-N	279.336	1.687	10	20	CDCD	
COC(=O)[C@@H](C)CN(C)Cc1cc(F)cc(C(C)=O)c1O	79435398	FRDUIYJTAOJREI-VIFPVBQESA-N	297.326	1.975	10	20	CDCD	
CC1(C)CCN(Cc2ccccc2O)CCS1(=O)=O	195203219	YLKDHSRFNRUTHK-UHFFFAOYSA-N	283.393	1.791	10	20	CDCD	
Cc1ccc(O)c(CN(C)CCNC(=O)C(C)C)c1	92104294	RFPPFOZZCMTXAE-UHFFFAOYSA-N	264.369	1.905	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CC[C@@H](O)C1	346379337	LPKLBHBXPOVYHU-WCQYABFASA-N	290.363	1.639	10	20	CDCD	
Oc1ccc(Cl)c(F)c1CNC[C@H]1COCCN1	530246865	LMBWXKARMLDSOL-QMMMGPOBSA-N	274.723	1.263	10	20	CDCD	
CCCNC(=O)CCCC(=O)NCc1ccc(O)c(O)c1	269069634	FDLIEJNCPDLRQD-UHFFFAOYSA-N	294.351	1.411	10	20	CDCD	
Oc1c(Cl)cc(Cl)cc1CNC[C@@H]1COCCN1	530181074	JYLUCCXUUCHSJT-SNVBAGLBSA-N	291.178	1.777	10	20	CDCD	
C[C@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1O)c1ncn(C)n1	275647294	DDFOKBLTOCGMBX-IUCAKERBSA-N	291.311	1.841	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@@H]1CCc2nccn2C1	376940579	IJEIBCPXARUTST-CYBMUJFWSA-N	285.347	1.810	10	20	CDCD	
COc1cccc(CNC(=O)C[C@H]2CCCC(=O)N2)c1O	289500106	CGEWGZSQFRFAFN-LLVKDONJSA-N	292.335	1.076	10	20	CDCD	
O=C(c1cccc(O)c1O)N1C[C@@]2(CCCO2)[C@H]1C1CC1	294690320	GDJHASINFWHHEE-ZBFHGGJFSA-N	289.331	1.881	10	20	CDCD	
CCOCC(=O)CSc1ncc(C(=O)OC)s1	829678114	ZIMRDOUOAALCQA-UHFFFAOYSA-N	275.351	1.627	10	20	CDCD	
CO[C@@H]1COCC[C@H]1CNCc1cc(F)ccc1O	824708928	LJIZBGPVLVVOQP-IINYFYTJSA-N	269.316	1.672	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2NCC2(C)C)c1	828666219	BWCSXIAAENVEPG-ZANVPECISA-N	278.352	1.576	10	20	CDCD	
CC(C)CN1CCO[C@@H](CNC(=O)c2cc(O)cs2)C1	731864091	KSKHYAQUMIARMY-LBPRGKRZSA-N	298.408	1.540	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](O)C(C)(C)C)c1	735857572	ANWZIIOXICMVRD-NOZJJQNGSA-N	281.352	1.985	10	20	CDCD	
OC[C@@H](N[C@@H]1CCc2cccc(O)c21)C1CCOCC1	834761961	WJLOSYVPVVFREP-ZIAGYGMSSA-N	277.364	1.757	10	20	CDCD	
NC(=O)Cc1csc(NC(=O)c2cc(O)cs2)n1	731866914	KWGKNIUIFLIKHK-UHFFFAOYSA-N	283.334	1.190	10	20	CDCD	
C[C@@H]1O[C@H](C)[C@H](C(=O)NCc2ccc(O)cc2O)[C@H]1C	910954903	AJXZDJQTQJVOMD-LFNDISMMSA-N	279.336	1.774	10	20	CDCD	
COCCN(CCC(=O)O)C(=O)c1cc(O)cs1	831725408	VTCHUPLZDCNZIL-UHFFFAOYSA-N	273.310	1.017	10	20	CDCD	
CCN1C[C@H](CN[C@H](C)c2ccccc2O)CC1=O	846209715	SMKXFTCBTJBBKZ-NEPJUHHUSA-N	262.353	1.911	10	20	CDCD	
COc1cccc([C@@H](C)NCC2(C)OCCO2)c1O	846159187	NKGCZPBTZMWDCQ-SNVBAGLBSA-N	267.325	1.814	10	20	CDCD	
COc1ccc(O)c(CN[C@H](C)[C@@H]2CCCNC2)c1	841034870	XUQAJXLHJCXSNQ-VXGBXAGGSA-N	264.369	1.879	10	20	CDCD	
COc1cccc2c1O[C@H](c1ccc(O)c(O)c1)NC2=O	916232821	VYAKXBXJPAMGIO-OAHLLOKOSA-N	287.271	1.927	10	20	CDCD	
COC[C@H]1C[C@@H](O)CN1Cc1c(O)ccc(Cl)c1F	846053829	YVCFRXAYVXSQKU-RKDXNWHRSA-N	289.734	1.766	10	20	CDCD	
C[C@@]1(O)CCCN(C(=O)NCCc2ccc(N)cc2)C1	841960581	SWZOTXSRQGNIOH-OAHLLOKOSA-N	277.368	1.368	10	20	CDCD	
CN1CCN(c2ccc(CN[C@@H](CN)C3CC3)cc2)CC1	841027702	FMDXOHQFHOSYQA-KRWDZBQOSA-N	288.439	1.265	10	20	CDCD	
C[C@H]1CN(C(=O)C(=O)Nc2ccc(N)cc2)C(C)(C)C1	841107001	MZNSUBDTPWFGDW-SNVBAGLBSA-N	275.352	1.854	10	20	CDCD	
CCC[C@H](O)[C@@H](CO)NCc1ccc(OC)c(C)c1	842226187	MBXMLTSWEIHOGT-KGLIPLIRSA-N	267.369	1.615	10	20	CDCD	
NC[C@H](NCc1cccc(Br)c1O)C1CC1	841028210	LXKGEZMNTZTGRI-NSHDSACASA-N	285.185	1.982	10	20	CDCD	
CCO/C=C\C(=O)NCCc1ccc(O)c(O)c1	847589362	HPQKXIYZUZOMHK-VURMDHGXSA-N	251.282	1.307	10	20	CDCD	
COCCN1CC[C@H](N[C@H](C)c2cccc(OC)c2O)C1	846145180	LVGVCPSQQDNOHB-OLZOCXBDSA-N	294.395	1.772	10	20	CDCD	
COc1ccc(N(C)CCCN2CCOC2=O)c(OC)c1	752124665	MFVRVBCMJHWEAQ-UHFFFAOYSA-N	294.351	1.982	10	20	CDCD	
CN(CCc1nnn(C(C)(C)C)n1)Cc1ccccc1O	851840866	KBIFZMRRFCTAOZ-UHFFFAOYSA-N	289.383	1.808	10	20	CDCD	
COc1cccc([C@@H](C)NCCO[C@@H]2CCOC2)c1O	927083284	KJYDYKRSTGBAHG-VXGBXAGGSA-N	281.352	1.857	10	20	CDCD	
Cc1cc(O)c(CN(C)C[C@H]2COCCO2)cc1C	853560898	ZXLLNVVBGDZQIV-AWEZNQCLSA-N	265.353	1.856	10	20	CDCD	
C[C@@H]1C[C@@H](NC[C@H](O)CN(C)C)c2c(O)ccc(F)c21	756552223	DCVTZKMJSRBXHG-JFGNBEQYSA-N	282.359	1.592	10	20	CDCD	
OC[C@@H](CNCc1cc2c(cc1O)OCO2)CC1CC1	850389471	XSYKCPRLSAEMRC-LLVKDONJSA-N	279.336	1.619	10	20	CDCD	
C[C@H]1CC[C@@H](C)N1CC(=O)NCCc1ccc(O)c(O)c1	767776837	YGEZXXFGELJUCG-TXEJJXNPSA-N	292.379	1.629	10	20	CDCD	
CC[C@@H](NC[C@H]1COCCN1)c1ccc(N(C)C)cc1	863544662	AVTAJHJWDZIPEM-GOEBONIOSA-N	277.412	1.782	10	20	CDCD	
CCCn1cc(C(=O)NCc2cc(C)ccc2O)nn1	862757980	KVSGRLKUJKZPHZ-UHFFFAOYSA-N	274.324	1.632	10	20	CDCD	
Nc1ccc(OCc2cn(C[C@H]3CCC(=O)O3)nn2)cc1	864627448	FUSICKMHAYDHHW-CYBMUJFWSA-N	288.307	1.145	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCC[C@@H](CCO)C1	765227538	BLNVDYDDVXSTGG-VIFPVBQESA-N	255.339	1.688	10	20	CDCD	
CC(C)(CO)N1CCN(Cc2cc(F)ccc2O)CC1	779021588	VHZBQGSEVHIEQE-UHFFFAOYSA-N	282.359	1.420	10	20	CDCD	
Cc1ccc(C)n1-c1ccc(C(=O)NOCCO)cc1	776582610	WUUHOZGCDZXARS-UHFFFAOYSA-N	274.320	1.748	10	20	CDCD	
Oc1c(F)cc(Cl)cc1CNC[C@@]1(O)CCOC1	776252111	NWKCPHLDVYDZGB-LBPRGKRZSA-N	275.707	1.426	10	20	CDCD	
C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)NCc1ccc(N)cc1	1120677813	XIPXWTTXWMINEX-WFASDCNBSA-N	290.411	1.750	10	20	CDCD	
CCC[C@@H](NC(=O)c1ccc(C)c(O)c1O)c1nn[nH]n1	780959405	JBMMYKLCHHNLCG-SECBINFHSA-N	291.311	1.191	10	20	CDCD	
COc1cc(C)cc(CNCC(C)(C)CO)c1O	894358913	KINZMKFYGCUSHS-UHFFFAOYSA-N	253.342	1.817	10	20	CDCD	
CCN1CCC[C@H](NCc2cc(C)cc(OC)c2O)C1=O	896729116	LCMCEJFYTNEJIN-ZDUSSCGKSA-N	292.379	1.810	10	20	CDCD	
CS[C@H](CO)[C@H](C)NCc1ccc2c(c1)CCO2	219065647	AKXQTUPCAUHDLY-IINYFYTJSA-N	267.394	1.824	10	20	CDCD	
COc1ccc(CNC(=O)NC[C@@H]2CCC=CO2)c(O)c1	793064714	FKBPVOPNZHRJCM-ZDUSSCGKSA-N	292.335	1.893	10	20	CDCD	
Cc1cnccc1C(=O)NCCc1ccc(O)c(O)c1	771417221	MUGSQFLODRSTGN-UHFFFAOYSA-N	272.304	1.774	10	20	CDCD	
CCCOc1ccc(CN[C@H](C(=O)O)[C@H](C)O)cc1C	1332017286	JQXZKLHLRMBAJT-FZMZJTMJSA-N	281.352	1.707	10	20	CDCD	
Nc1ccc(CNC(=O)N2CCC(O)(C(F)F)CC2)cc1	1353538887	FLDDDWGHUUNLCW-UHFFFAOYSA-N	299.321	1.570	10	20	CDCD	
CCOCc1cc(CNC[C@H](F)C(=O)O)ccc1OC	1353955868	UBACYZXCIBMDPX-LBPRGKRZSA-N	285.315	1.744	10	20	CDCD	
CC1(C)[C@@H](NC(=O)c2cccc(O)c2O)[C@H]2CCCN[C@H]21	1576384286	PQCDXZGRZDPKSR-GDLCADMTSA-N	290.363	1.604	10	20	CDCD	
Cc1oc(C(=O)NCc2ccc(N)cc2)cc1CO	1579926851	BRTYBCLSZOIPOS-UHFFFAOYSA-N	260.293	1.593	10	20	CDCD	
C[C@H](C(=O)O)C(=O)NCc1c(O)ccc2ccccc12	1588573984	RAJRPPBSDKJQQZ-VIFPVBQESA-N	273.288	1.882	10	20	CDCD	
C[C@@]1(C(=O)O)CCN(C(=O)NCCc2ccc(N)cc2)C1	1593790128	HUKNETNBDVQTKU-OAHLLOKOSA-N	291.351	1.318	10	20	CDCD	
C[C@H]1CN(C(=O)NCc2ccc(N)cc2)CC[C@H]1C(=O)O	1599921342	HYRJHUXNVSZXCI-GXFFZTMASA-N	291.351	1.521	10	20	CDCD	
C[C@H](NC[C@](C)(O)C1CC1)c1cc(C(=O)O)ccc1O	1593239266	CYMKYASSZBDGKU-VFZGTOFNSA-N	279.336	1.902	10	20	CDCD	
CN(CCO)Cc1cccc(Br)c1O	127921503	KSYWDPDXHMHXFU-UHFFFAOYSA-N	260.131	1.579	10	20	CDCD	
C[C@@H](CNC(=O)Cc1ccc(N)cc1)N1CCCCC1	38029448	KAWPQUDYKCAXGW-ZDUSSCGKSA-N	275.396	1.802	10	20	CDCD	
C[C@@H](N[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1O	272930056	ZJUJCYZZLKMJMG-VXGBXAGGSA-N	298.408	1.467	10	20	CDCD	
C[C@@H]1C[C@H](NCc2cc3c(cc2O)OCO3)CCN1C	90720542	LLOXYNQZLBDAQZ-ZYHUDNBSSA-N	278.352	1.693	10	20	CDCD	
CN1CCCC[C@@H](C(=O)NCc2ccc(N)cc2)C1=O	1343473567	ODBBVOJXDOEZOW-ZDUSSCGKSA-N	275.352	1.144	10	20	CDCD	
COCc1noc(CN(C)c2ccc(OC)cc2OC)n1	180160825	QEDWKAABNWAOGZ-UHFFFAOYSA-N	293.323	1.870	10	20	CDCD	
COCCN(Cc1ccco1)C(=O)c1cccc(O)c1O	186892075	VEVIUNIFXRFUDJ-UHFFFAOYSA-N	291.303	1.980	10	20	CDCD	
COc1ccc(O)c(CN2CC[C@H](S(C)(=O)=O)C2)c1	282826368	UNRAXHOSJFNRKH-LBPRGKRZSA-N	285.365	1.020	10	20	CDCD	
O=C(NCc1c(O)ccc2c1CCCC2)c1ccc(=O)[nH]c1	75159404	ZSVOOMWURMHWPI-UHFFFAOYSA-N	298.342	1.889	10	20	CDCD	
COC(=O)[C@@H]1CCCN1Cc1cc(F)cc(C(C)=O)c1O	79437211	ORZJELAZHFWPAZ-ZDUSSCGKSA-N	295.310	1.871	10	20	CDCD	
CCN(C)C(=O)[C@H](C)NC(=O)/C=C/c1ccc(O)c(O)c1	191557181	GEZQTEKUBGWHQW-PCGIRMHASA-N	292.335	1.094	10	20	CDCD	
COc1cccc(CN[C@@H](C(=O)O)C2CC2)c1O	86758310	NEGJBQQKKPVJTK-LLVKDONJSA-N	251.282	1.354	10	20	CDCD	
Cc1ncc2c(n1)CC[C@H](NC(=O)c1cccc(O)c1O)C2	363918371	HTPDZPKWKYFAIO-NSHDSACASA-N	299.330	1.484	10	20	CDCD	
C[C@H](NC[C@@H](CO)[C@@H]1CCOC1)c1cc(F)ccc1O	280900059	PROYVQQRHZGBOH-TUAOUCFPSA-N	283.343	1.827	10	20	CDCD	
C[S@](=O)C1(CNC(=O)NCc2ccccc2O)CCC1	281511267	KEAUEVVSDLZHNY-FQEVSTJZSA-N	296.392	1.493	10	20	CDCD	
O=C(c1c(F)ccc(O)c1O)N1CCN(C2CCC2)CC1	294767897	BQDLKJYNSHGWRZ-UHFFFAOYSA-N	294.326	1.547	10	20	CDCD	
CCOC(=O)CN(Cc1ccccc1O)C[C@@H]1CCOC1	823576516	RDQPKQSMPGMACN-ZDUSSCGKSA-N	293.363	1.794	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2C[C@@]23CCNC3)c1	828667869	VIADQBULASMWCR-YNZJMPHRSA-N	290.363	1.578	10	20	CDCD	
O=C(N[C@@H]1CCc2n[nH]cc2C1)c1c(F)ccc(O)c1O	825826465	COFHZJHHPMFVOT-MRVPVSSYSA-N	291.282	1.247	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)CN(C)C(=O)O)c1	738040696	BGGPLIHRLKUENX-MRVPVSSYSA-N	282.296	1.188	10	20	CDCD	
Cc1ccnc(N(C)Cc2ccccc2O)c1-c1nn[nH]n1	826309059	BVOSWTONSKKGBL-UHFFFAOYSA-N	296.334	1.912	10	20	CDCD	
Cc1cc(O)c(CN2CCC([C@@H](O)C(=O)O)CC2)cc1C	833746504	BITONYZIWVEUSY-OAHLLOKOSA-N	293.363	1.667	10	20	CDCD	
Cc1cc(C(=O)N[C@H](C)CCN)c(C)n1-c1ccccn1	834452085	FOSDIZPMGCSYKZ-LLVKDONJSA-N	286.379	1.956	10	20	CDCD	
CO[C@@H](C1CC1)[C@H](C)NC(=O)c1cc(O)cs1	839786086	BNZMRMKKMHPVBC-WRWORJQWSA-N	255.339	1.997	10	20	CDCD	
CC(C)N1CC(NC(=O)/C=C\c2ccc(O)c(O)c2)C1	837544799	UQGBARWVRHMLDY-XQRVVYSFSA-N	276.336	1.320	10	20	CDCD	
Nc1ccc(CCNC(=O)NCCCOC(F)F)cc1	841905481	MHLJJUCDNAUEEW-UHFFFAOYSA-N	287.310	1.740	10	20	CDCD	
COC1CC(C(=O)N(CC(=O)O)Cc2ccccc2O)C1	911492453	GYWXTYRMKNINQM-UHFFFAOYSA-N	293.319	1.230	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1C[C@H](CO)OC[C@H]1C	840921574	WWCMKHPJTAFWMU-CZUORRHYSA-N	278.396	1.643	10	20	CDCD	
CC[C@@H]1COCCN1C(=O)NCCc1ccc(N)cc1	841954989	SMRAWXMVTNRUBK-CQSZACIVSA-N	277.368	1.632	10	20	CDCD	
COc1cc(O)c(CN2CCC(C)(N)CC2)cc1OC	843108453	STODQPFSJKJESG-UHFFFAOYSA-N	280.368	1.723	10	20	CDCD	
C[C@H](NCc1ccc(N(C)C)cc1)c1cnnn1C	924575237	SSPOGVWWDVUWMH-NSHDSACASA-N	259.357	1.732	10	20	CDCD	
CC1CCN(Cc2cc(O)n3ncc(C(=O)O)c3n2)CC1	846231705	NQMKYCVEGLZJHN-UHFFFAOYSA-N	290.323	1.365	10	20	CDCD	
O=C(COC(F)(F)F)OCC(=O)c1ccc(O)c(O)c1	923709660	PZSLRADEEWPWNK-UHFFFAOYSA-N	294.181	1.360	10	20	CDCD	
CCOc1ccc(CNCCN(C)C(=O)OC)c(O)c1	850389911	KWYRXEBIKVAPGL-UHFFFAOYSA-N	282.340	1.579	10	20	CDCD	
C[C@@H](N[C@@H](CO)C1CCOCC1)c1cc(F)ccc1O	757658585	HXRAJMWJFPNXNA-YGRLFVJLSA-N	283.343	1.969	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)C2(C(N)=O)CCC2)c1	761981099	GAMJNXIGNCESPS-VIFPVBQESA-N	292.335	1.234	10	20	CDCD	
CCOC(=O)CN(CC[N+](=O)[O-])Cc1ccccc1O	930763517	MMRTVEUITBOCBZ-UHFFFAOYSA-N	282.296	1.034	10	20	CDCD	
CO[C@@H]1CCN(Cc2ccc(N3CCOCC3)cc2)C1	769447827	XYDCAIIWOJCPMX-MRXNPFEDSA-N	276.380	1.744	10	20	CDCD	
C[C@H](N)CN(C)Cc1ccc(N2CCN(C)CC2)cc1	863651334	GWAWSCJJMULOMA-AWEZNQCLSA-N	276.428	1.217	10	20	CDCD	
O=C(O)CCC[C@@H](NCc1ccc2c(c1)CCO2)C(=O)O	1119614256	YPGLOTIMSVGEDL-GFCCVEGCSA-N	293.319	1.419	10	20	CDCD	
CO[C@H]1CCC[C@@H]1CNC(=O)c1cc(O)cs1	775617853	LQSKXTWIJIPKGT-SCZZXKLOSA-N	255.339	1.999	10	20	CDCD	
CNS(=O)(=O)CCCN[C@H](C)c1c(O)cccc1F	886645239	USVMXTSZPDJIGN-SECBINFHSA-N	290.360	1.121	10	20	CDCD	
CNC(=O)[C@H](CC(C)C)NC(=O)c1ccc(C)c(O)c1O	780996730	ZWPVUUKHZJCJPC-NSHDSACASA-N	294.351	1.297	10	20	CDCD	
CNC[C@@H]1CCN(Cc2cc(OC)ccc2O)C1	71142397	AHSYDUVAIPQWAE-NSHDSACASA-N	250.342	1.442	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@]2(OC)CCSC2)c1	896360464	DBWWYFGXKUEUKD-AWEZNQCLSA-N	297.376	1.539	10	20	CDCD	
C[C@@H]1C[C@H](O)CN(Cc2cc(F)cc(F)c2O)C1	894945610	BDCIZYKBHNMQTA-KCJUWKMLSA-N	257.280	1.873	10	20	CDCD	
C[C@@H]1CCCN1CCNC(=O)c1cccc(O)c1O	790941315	VVMLOXDBDLNOOG-SNVBAGLBSA-N	264.325	1.312	10	20	CDCD	
CC(C)(NCc1ccccc1O)C(=O)N1CCCC1	793395893	NRKDXEWJKBOPAD-UHFFFAOYSA-N	262.353	1.883	10	20	CDCD	
COCCO[C@@H]1CCN(Cc2cc(F)ccc2O)C1	188824634	JUZMCZXYZUNKSR-CYBMUJFWSA-N	269.316	1.769	10	20	CDCD	
Cc1cc(O)ccc1NS(=O)(=O)C[C@@H]1CCCOC1	795324614	NCTLBZKKARWJNP-LLVKDONJSA-N	285.365	1.869	10	20	CDCD	
COc1cccc(O)c1CN1C[C@@H](C)O[C@]2(CCOC2)C1	793363703	VELOZZLILZEFFW-MLGOLLRUSA-N	293.363	1.781	10	20	CDCD	
CN(CCCN[C@@H]1CCc2cccc(O)c21)S(C)(=O)=O	692466502	LJDNWRRQMYAZMP-GFCCVEGCSA-N	298.408	1.251	10	20	CDCD	
C[C@@H]1CS(=O)(=O)C[C@@H]1NCc1ccc2c(c1)CCCO2	922341709	UHZWDJRHUVPICR-RISCZKNCSA-N	295.404	1.534	10	20	CDCD	
CCN(CC1CC1)C(=O)C(=O)N(C)Cc1ccccc1O	1325227812	DVKFDOBRYXAPKR-UHFFFAOYSA-N	290.363	1.609	10	20	CDCD	
Cc1ccc(O)c(CNS(=O)(=O)c2c[nH]nc2C)c1	1328852167	QGQVKCJYQVEYMF-UHFFFAOYSA-N	281.337	1.211	10	20	CDCD	
CONC(=O)CNCc1ccc(N2CCCC2)cc1	1333519916	QIZQZMDBKNFKKT-UHFFFAOYSA-N	263.341	1.054	10	20	CDCD	
COc1ccc(CNC[C@@](C)(CC(=O)O)C(=O)O)cc1C	1332031994	GCVLBJQAQYFGDR-OAHLLOKOSA-N	295.335	1.659	10	20	CDCD	
CCn1c(C[C@@H](C)O)nnc1N(C)Cc1ccccc1O	1339531922	RBLVTEPFPMQDOQ-LLVKDONJSA-N	290.367	1.563	10	20	CDCD	
Nc1ccc(CN2CCN(CCN3CCCC3)CC2)cc1	1335286140	UCHWBJOIAQOQIM-UHFFFAOYSA-N	288.439	1.482	10	20	CDCD	
CS[C@H](CO)[C@@H](C)NCc1cc2c(cc1O)OCO2	219065863	QBGWZUNKOCMBLQ-AMIZOPFISA-N	285.365	1.323	10	20	CDCD	
C[C@H]1[C@H](C(=O)O)CCN1Cc1cc2c(cc1O)OCO2	1609835553	URXXFIXWXLEXIA-WCBMZHEXSA-N	279.292	1.416	10	20	CDCD	
C[C@@H](N[C@H](C)C(F)F)c1cccc(-c2nn[nH]n2)c1O	1603647952	AJVKGOMSCCYOTD-RNFRBKRXSA-N	283.282	1.877	10	20	CDCD	
CC(C)OCCN[C@H](C)c1cccc(-c2nn[nH]n2)c1O	1603354707	WFKXEFOMWCTYOX-SNVBAGLBSA-N	291.355	1.648	10	20	CDCD	
CN(C)c1ccc(CN2CCC[C@@H](O)[C@@H]2C(=O)O)cc1	1610105556	WCANWRVKUCGKHX-ZIAGYGMSSA-N	278.352	1.163	10	20	CDCD	
C[C@@H]1CCN(CC(=O)NCc2cccc(O)c2O)C1	1548791516	IMRVJWBUXLXIGU-SNVBAGLBSA-N	264.325	1.056	10	20	CDCD	
Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCCN)c1	1579589349	GDEJCVRCLXQQEO-UHFFFAOYSA-N	285.347	1.595	10	20	CDCD	
CN(C)c1ccc(CNC(=O)C2(N(C)C)CCC2)cc1	158604649	HAZOVHSQRMUGPR-UHFFFAOYSA-N	275.396	1.853	10	20	CDCD	
CN1CCC[C@H]1C(=O)NCc1c(O)ccc2c1CCCC2	156341294	GSSMOPGYFFLNGY-HNNXBMFYSA-N	288.391	1.981	10	20	CDCD	
COc1cccc(O)c1CN1C[C@H](C)S(=O)(=O)[C@@H](C)C1	811518749	PRBNVPLXITWJAG-QWRGUYRKSA-N	299.392	1.408	10	20	CDCD	
CC[C@@H](O)[C@H]1CCCCN1C(=O)c1cccc(O)c1O	912119395	PDPZARGLIKJCOI-VXGBXAGGSA-N	279.336	1.863	10	20	CDCD	
Cc1cccc(O)c1CN1CCN2C(=O)CC[C@H]2C1	876655077	VMXMMJCIFGOEHG-LBPRGKRZSA-N	260.337	1.507	10	20	CDCD	
Cc1ccc(CN(C)C[C@@H]2COCCO2)c(O)c1	877628524	JEMCBDBMFWNOLG-CYBMUJFWSA-N	251.326	1.548	10	20	CDCD	
COc1ccc(O)c(CN[C@@H](C)C(=O)NC(C)(C)C)c1	135761116	LLDBVFLQSDQUOB-JTQLQIEISA-N	280.368	1.794	10	20	CDCD	
CC(=O)c1cc(Cl)cc(CN2CC(=O)N[C@@H](C)C2)c1O	296150588	JRVHKQOGYDTPPV-QMMMGPOBSA-N	296.754	1.569	10	20	CDCD	
O=C(NCCC1CCOCC1)c1cccc(O)c1O	311467289	HVNINPDFHHZLPE-UHFFFAOYSA-N	265.309	1.644	10	20	CDCD	
CC(C)[C@@H]1CN(C(=O)c2cccc(O)c2O)CCO1	709023227	ZQXHFPKKECZURP-LBPRGKRZSA-N	265.309	1.595	10	20	CDCD	
COCCN(C)CCNCc1ccc(N2CCCC2)cc1	61376811	UTSHZAYIWCHZEK-UHFFFAOYSA-N	291.439	1.955	10	20	CDCD	
CN1CCC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)C1	180765351	XVSWKNUODROATJ-VUDGCMKMSA-N	290.363	1.569	10	20	CDCD	
COCCCOCC(=O)N(C)Cc1ccccc1O	181301493	HMVLHWNTJKKUCM-UHFFFAOYSA-N	267.325	1.404	10	20	CDCD	
CC1(C)CN(CCNCc2cc(F)ccc2O)CCO1	180687179	BMDJPTFYEIYNCU-UHFFFAOYSA-N	282.359	1.732	10	20	CDCD	
CCNC(=O)CN(C)Cc1cccc(OCC)c1O	133186305	ZWQUFHOPRYWOIJ-UHFFFAOYSA-N	266.341	1.359	10	20	CDCD	
COc1ccc(O)c(CN(CC(=O)O)CC2CC2)c1	86734843	GZKJTJFJAGYVPZ-UHFFFAOYSA-N	265.309	1.697	10	20	CDCD	
COC[C@@H](CCO)N[C@H](C)c1ccc(C)cc1O	230663342	NXMKQKPNDFBWNO-VXGBXAGGSA-N	253.342	1.749	10	20	CDCD	
CO[C@@H](C)CN1CCOc2cc(N(C)C)ccc21	182379219	FKNSSUAHGSKOEF-NSHDSACASA-N	250.342	1.986	10	20	CDCD	
COc1cccc(CNC(=O)[C@@H]2CCCN2C(C)=O)c1O	269195998	PWNKMUCESKWZIZ-LBPRGKRZSA-N	292.335	1.028	10	20	CDCD	
COC(=O)C1CCN(C(=O)c2ccc(C)c(O)c2O)CC1	267540928	ACDBRPQBEVGAES-UHFFFAOYSA-N	293.319	1.431	10	20	CDCD	
Nc1ccc(CCNC(=O)[C@H]2CCCCCN2)cc1	364465133	ISESDGKTGSYDJG-CQSZACIVSA-N	261.369	1.460	10	20	CDCD	
COc1cccc(CN2CCn3cnnc3[C@H]2C)c1O	276852250	VAZHUBPXSPTRSQ-SNVBAGLBSA-N	274.324	1.569	10	20	CDCD	
CCC[C@]1(CO)CCCN1C(=O)c1cccc(O)c1O	278081534	INGXGCPYIGGKCI-OAHLLOKOSA-N	279.336	1.865	10	20	CDCD	
CN1CCCc2cc(CNC(=O)CC(C)(C)O)ccc21	279620851	USOJYIIZUPQRBX-UHFFFAOYSA-N	276.380	1.846	10	20	CDCD	
COC(=O)[C@@H]1COCCN1Cc1c(O)cccc1Cl	271183829	MVBGBMIMXSWKJH-NSHDSACASA-N	285.727	1.419	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)c1cnn(CCF)c1	287205922	OYRDIDGDVOLLIF-UHFFFAOYSA-N	277.299	1.830	10	20	CDCD	
COc1ccc(O)c(CN2CCC[C@H](CO)CC2)c1	294002756	MIDVPHPGSGNUNK-LBPRGKRZSA-N	265.353	1.995	10	20	CDCD	
Cc1ccc(C(=O)N2CC[C@]3(CCN(C)C3)C2)c(O)c1O	293841313	IZVIEKPWCPHPOT-INIZCTEOSA-N	290.363	1.574	10	20	CDCD	
CO[C@H](CNC(=O)NCc1ccc(N(C)C)cc1)C1CC1	296640131	RWQYYHNAHYVGHS-OAHLLOKOSA-N	291.395	1.977	10	20	CDCD	
Cc1ccc(C(=O)OCCN2CCO[C@H](C)C2)c(O)c1O	800158313	PQCJDGILJOBABM-LLVKDONJSA-N	295.335	1.284	10	20	CDCD	
OCC1(CCNCc2ccc(N3CCOCC3)cc2)CC1	395888262	YLCVKZKLDFCTES-UHFFFAOYSA-N	290.407	1.775	10	20	CDCD	
C[C@@](O)(C(=O)OCC(=O)c1ccc(O)c(O)c1)C1CCC1	812673431	LZWHLYRLQYVOIW-HNNXBMFYSA-N	294.303	1.375	10	20	CDCD	
CCO/C=C\C(=O)NCc1ccc(N2CCOCC2)cc1	816897634	JBMXYOVMHUIDOJ-YFHOEESVSA-N	290.363	1.690	10	20	CDCD	
O=C1CN(Cc2cc(Cl)c(F)cc2O)CCCN1	816496956	GNEJAUQPDYCMAU-UHFFFAOYSA-N	272.707	1.507	10	20	CDCD	
CO[C@H](C)CNC(=O)N(C)Cc1ccccc1O	821718418	NVIREOCYIQUDOR-SNVBAGLBSA-N	252.314	1.569	10	20	CDCD	
CCOc1cccc(CN[C@H]2C[C@@H](C(=O)OC)C2)c1O	827500648	GMCFUPBGJNKMSK-TXEJJXNPSA-N	279.336	1.832	10	20	CDCD	
CN(C(=O)/C=C\c1cncc(F)c1)c1ccn(C)n1	492687412	NDDRYEFMOZNXMN-ARJAWSKDSA-N	260.272	1.630	10	20	CDCD	
CC[C@H]1COCCN1C(=O)/C=C\c1ccc(O)c(O)c1	588408020	VHXJSCZQVASYQO-RNZFLTOJSA-N	277.320	1.748	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)CCC(N)=O	906994065	OQYDKJWPQUJQPY-UHFFFAOYSA-N	264.325	1.396	10	20	CDCD	
O=C(NCc1ccccc1O)c1cnc2n1CCC2	830527266	YBKSHYPXFQLSKP-UHFFFAOYSA-N	257.293	1.465	10	20	CDCD	
COc1ccc2c(c1)CCCN2CCOCCO	739903660	MDFHKCGXVPJROR-UHFFFAOYSA-N	251.326	1.457	10	20	CDCD	
CC(C)OCC(=O)NC[C@H](N)c1ccc(N(C)C)cc1	832281189	STPQQYDEWSMDNP-AWEZNQCLSA-N	279.384	1.294	10	20	CDCD	
COC[C@H]1CN(Cc2c(O)ccc3ccncc23)CCO1	742156982	DDTQXJYCSMCCKD-CYBMUJFWSA-N	288.347	1.788	10	20	CDCD	
COc1ccc(N2CCC(NC[C@@H](C)CN)CC2)cc1	841048448	IZZCQKPFJAQNGT-ZDUSSCGKSA-N	277.412	1.848	10	20	CDCD	
C[C@@H]1OCC[C@@H]1C(=O)NCc1ccc(O)cc1O	910949336	JKZNODMWOMEFKB-KWQFWETISA-N	251.282	1.139	10	20	CDCD	
O=C(NCc1cc(Cl)ccc1O)N[C@H]1CCOC1	845069127	CSIORQSUTOAKHN-JTQLQIEISA-N	270.716	1.634	10	20	CDCD	
CC[C@H](C(=O)N[C@H](C)c1cc(OC)ccc1O)[C@H](C)O	842232917	WJXLVCQTALFPAT-SCVCMEIPSA-N	281.352	1.985	10	20	CDCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)N[C@H]1CNCCOC1	925689861	ITUVBGJBMZRQNY-ZBFHGGJFSA-N	291.439	1.570	10	20	CDCD	
COCC1(CC(=O)NCc2ccc(O)c(O)c2)CC1	843830631	JSFOWZSFJIAEEE-UHFFFAOYSA-N	265.309	1.531	10	20	CDCD	
C[C@H](N[C@H](CO)C1CCOCC1)c1cc(F)ccc1O	757658579	HXRAJMWJFPNXNA-IINYFYTJSA-N	283.343	1.969	10	20	CDCD	
C[C@@H]1COC[C@@H]1NCc1ccc(N2CCN(C)CC2)cc1	922643362	XUXJQDJOZAKSIT-PBHICJAKSA-N	289.423	1.563	10	20	CDCD	
CCOc1ccc(O)c(CNCCc2ccn(C)n2)c1	760634718	UIDMXIOTKOFAEC-UHFFFAOYSA-N	275.352	1.857	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCC[C@H]1[C@H](O)C(F)(F)F	760178880	YAPMSCNGZLZZQN-CBAPKCEASA-N	295.282	1.982	10	20	CDCD	
C[C@@H](N)CN(C)C(=O)NCCCSc1nccs1	861609713	OEMBQZVQGROANZ-SECBINFHSA-N	288.442	1.614	10	20	CDCD	
Cc1ccc(C)n1-c1ccc(C(=O)Nn2cnnc2O)cc1	777768082	NBJZIGGDBUKMRC-UHFFFAOYSA-N	297.318	1.775	10	20	CDCD	
C[C@H]1C(=O)N(C)CCN1Cc1ccc(N(C)C)c(F)c1	779199779	LERQHBAOKRIUQY-NSHDSACASA-N	279.359	1.554	10	20	CDCD	
O=C(O)CSCCNCc1cc(F)cc(F)c1O	1119550935	ZOZRXCCOEFXIFB-UHFFFAOYSA-N	277.292	1.578	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccncn1	779068709	BFTSCKGJIKOLMC-SECBINFHSA-N	273.292	1.249	10	20	CDCD	
CCN(C)c1ccc(CN2C[C@H](OC)[C@H](OC)C2)cc1	773888745	NHADEFAQFVBAQW-IYBDPMFKSA-N	278.396	1.988	10	20	CDCD	
C[C@@H](NC(=O)[C@H]1CCC(=O)NC1)c1ccc(N(C)C)cc1	773009738	MOMFOHOSGCAVTJ-YPMHNXCESA-N	289.379	1.456	10	20	CDCD	
O=C(NCc1ccccc1O)NC[C@H]1CCC=CO1	780362202	DKNCVIMNSCWWSC-GFCCVEGCSA-N	262.309	1.884	10	20	CDCD	
Cc1ccc(O)c(CNc2nnc(C(C)(C)O)o2)c1	789882200	YADJPSYBLYIFHA-UHFFFAOYSA-N	263.297	1.923	10	20	CDCD	
CCOc1cccc(CNC[C@H]2CCOC2)c1O	37738174	RBPNNCJLYQYVKK-LLVKDONJSA-N	251.326	1.917	10	20	CDCD	
CC(C)OC(=O)CCNC(=O)c1cccc(O)c1O	790483980	OZVOFXNIVAEWMJ-UHFFFAOYSA-N	267.281	1.169	10	20	CDCD	
COc1ccc(CNC(=O)c2cc(C)n(C)n2)c(O)c1	794383280	KRJVLDMMDUORNW-UHFFFAOYSA-N	275.308	1.373	10	20	CDCD	
COc1cccc(CN[C@H](CO)CC2CC2)c1O	754831887	BGXBWIDGCGDRKC-LBPRGKRZSA-N	251.326	1.651	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)COCCN	93231437	YAPQKCBKYQTELK-UHFFFAOYSA-N	279.384	1.076	10	20	CDCD	
Cc1nc([C@@H](C)NC(=O)/C=C/c2ccc(O)c(O)c2)no1	1320757260	VVHOGKHZCQZRKA-YZCDNWJKSA-N	289.291	1.680	10	20	CDCD	
CSC[C@@H](C)NC(=O)C(=O)N(C)Cc1ccccc1O	1326838686	TZYORXQFNXGDLF-SNVBAGLBSA-N	296.392	1.218	10	20	CDCD	
CN(CCOCCO)Cc1ccc(N2CCCC2)cc1	1339933305	PUGLXLDSMLRPPM-UHFFFAOYSA-N	278.396	1.728	10	20	CDCD	
Cc1nnc(CC(=O)N(C)Cc2ccccc2O)o1	1347490939	JNBMHBXGRVGIJK-UHFFFAOYSA-N	261.281	1.285	10	20	CDCD	
CC(C)n1cc(C(=O)NCc2cccc(O)c2O)cn1	1348047964	PTNYPZOLNJZFBI-UHFFFAOYSA-N	275.308	1.805	10	20	CDCD	
C[C@]1(C(=O)NCc2cccc(O)c2O)C[C@H]2CC[C@H]1O2	1347233857	KKVKXJCATGQQGL-HCKVZZMMSA-N	277.320	1.672	10	20	CDCD	
O=C(N[C@H](C(=O)O)c1ccccn1)c1cc(O)cs1	1601401358	DMPZUNOCEGYKAC-JTQLQIEISA-N	278.289	1.404	10	20	CDCD	
CCOC(=O)C[C@H](O)CSc1ncc(C(=O)O)s1	1605534246	XJNBGYZJMULFQW-LURJTMIESA-N	291.350	1.248	10	20	CDCD	
O=C(O)c1nccnc1NCc1c(O)cccc1O	1609001369	OGVXNPSXRDIPOE-UHFFFAOYSA-N	261.237	1.198	10	20	CDCD	
Cc1ccc([C@H](C)NC[C@]2(O)CCO[C@@H]2C)c(O)c1	228056332	GJMZUVSBLACKKG-YWPYICTPSA-N	265.353	1.891	10	20	CDCD	
COc1ccc(O)c([C@H](C)N[C@H]2CCN(C)C2=O)c1	121034288	RHLWVLOMOXUSQY-CABZTGNLSA-N	264.325	1.282	10	20	CDCD	
C[C@H](N[C@H]1C[C@@H](O)C1(C)C)c1cc(C(=O)O)ccc1O	1593218547	GUHWJLWFEADPGU-AQUOVQTQSA-N	279.336	1.900	10	20	CDCD	
CC1CCN(c2ccc(CNC(=O)[C@@H](C)N)cc2)CC1	167860906	PKYSVOSWZJHZBO-CYBMUJFWSA-N	275.396	1.886	10	20	CDCD	
COc1cc(N2CC[C@H]([C@H](C)O)C2)c([N+](=O)[O-])cc1OC	168307367	RIQDAECWTSVLLQ-UWVGGRQHSA-N	296.323	1.819	10	20	CDCD	
CCS(=O)(=O)CCN(C)Cc1cc(C)cc(C)c1O	152393400	RLQLEUDPINBSBV-UHFFFAOYSA-N	285.409	1.876	10	20	CDCD	
Nc1ccc(NC(=O)N[C@@H](CO)C2CCCC2)cc1	841300356	VUSGANQAHYOISP-ZDUSSCGKSA-N	263.341	1.941	10	20	CDCD	
COc1ccc(O)c(CN(C)[C@@H]2CCC(=O)N(C)C2)c1	862427579	BHNQANZFNHYRGU-GFCCVEGCSA-N	278.352	1.453	10	20	CDCD	
CCOc1cccc(CNCCC(=O)N(C)C)c1O	37751523	OEFAAFDNEBACBM-UHFFFAOYSA-N	266.341	1.359	10	20	CDCD	
CN1CCN(c2ccc(CNC3CC3)cc2F)CC1	34823176	UZWBYOUVTBUSMX-UHFFFAOYSA-N	263.360	1.830	10	20	CDCD	
CCOc1cccc(CNC[C@]2(O)CCOC2)c1O	179023410	JNYAJMKUSVLNNW-CQSZACIVSA-N	267.325	1.032	10	20	CDCD	
CCNC(=O)C(C)(C)NCc1cc2c(cc1O)OCO2	312878494	NIAJGWZEFSGWEQ-UHFFFAOYSA-N	280.324	1.125	10	20	CDCD	
Cc1ccc(C)n1-c1ccsc1C(=O)NCC(N)=O	68008364	BUBRFWGFHOYPHG-UHFFFAOYSA-N	277.349	1.371	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](C)n2cncn2)c1	171483752	NPOBUYCZZBLILF-NXEZZACHSA-N	290.323	1.431	10	20	CDCD	
CCOc1ccc(O)c([C@H]2NC(=O)CN2CC)c1	189891282	WTVNBFHICNBSKC-ZDUSSCGKSA-N	250.298	1.241	10	20	CDCD	
CN(Cc1ccc(N2CCOCC2)cc1)Cc1cc[nH]n1	121326650	FXMFTAYQKQQOKR-UHFFFAOYSA-N	286.379	1.878	10	20	CDCD	
CSC[C@H](C)NCc1cc2c(cc1O)OCO2	130715124	QBIMSTBJOBBBCY-QMMMGPOBSA-N	255.339	1.962	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCC[C@H](C2OCCO2)C1	280758012	XUCXRCBGCAMNSC-JTQLQIEISA-N	293.319	1.323	10	20	CDCD	
CNC(=O)[C@H](CC(C)C)NC(=O)NCc1ccc(N)cc1	1346738769	KLUJLBIZEAMXDX-ZDUSSCGKSA-N	292.383	1.229	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)Cc2cc(C)[nH]n2)c1	131352373	FRHKWIYFYWHTMF-SNVBAGLBSA-N	289.335	1.852	10	20	CDCD	
C[C@H](O)C[C@H]1COCCN1Cc1ccc(N(C)C)cc1	193558064	HCGMSFBPYSYBQZ-BBRMVZONSA-N	278.396	1.724	10	20	CDCD	
COc1ccc(O)c(CNCC[C@H]2CCOC2)c1	230393153	AAFMKQWYHWJZPY-NSHDSACASA-N	251.326	1.917	10	20	CDCD	
CN(C)C(=O)CN(Cc1ccccc1O)C[C@@H]1CCCO1	96971011	ARIMWMSSWBEFMN-AWEZNQCLSA-N	292.379	1.461	10	20	CDCD	
COc1ccc(C(C)(C)NC(=O)c2cccnn2)c(O)c1	528924285	KPQLYQSFFNLGHL-UHFFFAOYSA-N	287.319	1.856	10	20	CDCD	
Cc1noc(C)c1CC(=O)NCc1ccc(O)c(O)c1	269074159	GQMNCTRSGJATEB-UHFFFAOYSA-N	276.292	1.562	10	20	CDCD	
O=C(/C=C/c1ccc(N2CCOCC2)cc1)N1CCC1	264638245	NKRZLPJVDDTOCU-QPJJXVBHSA-N	272.348	1.769	10	20	CDCD	
Cc1ccc(O)c([C@@H](C)N[C@H](CO)c2cnn(C)c2)c1	273446745	FHFLNNQUPSIKTH-BXUZGUMPSA-N	275.352	1.818	10	20	CDCD	
CS(=O)(=O)NC[C@@H]1CCCCN1Cc1ccccc1O	271284339	OSCVJOUVWRNNGU-ZDUSSCGKSA-N	298.408	1.296	10	20	CDCD	
CN1CC[C@H]2CCN(Cc3cc4c(cc3O)OCO4)[C@H]2C1	272253996	MBZOTFRTAGPLJN-AAEUAGOBSA-N	290.363	1.647	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)C(=O)OC(C)(C)C	274065249	JRIVMPFWBKXBDV-UHFFFAOYSA-N	265.309	1.692	10	20	CDCD	
C[C@@H](CN)C(=O)NCc1ccc2c(c1)CCCN2C	285705815	CLMFFTWNBJXCOK-NSHDSACASA-N	261.369	1.280	10	20	CDCD	
C[C@H](NCC1([S@@](C)=O)CC1)c1cc([N+](=O)[O-])ccc1O	282498926	XZQBDIDLVJIIRG-GWNMQOMSSA-N	298.364	1.862	10	20	CDCD	
C[C@@H](NC[C@H]1CC[C@@H](CO)O1)c1ccc(F)cc1O	293761473	RIUDGUYMVYQKMF-JLLWLGSASA-N	269.316	1.722	10	20	CDCD	
CC(C)(C)C(=O)NCCNC(=O)c1c(F)ccc(O)c1O	295323998	SXKZHVQTIHCVFG-UHFFFAOYSA-N	298.314	1.129	10	20	CDCD	
OCCCNCc1c(O)cccc1Br	706821927	UFTAGHOXUXDJIX-UHFFFAOYSA-N	260.131	1.627	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2CCOCC23CC3)c1O	802658490	FLONKZWKYGBBPB-UHFFFAOYSA-N	294.307	1.674	10	20	CDCD	
CCO[C@H](C)C(=O)NCc1ccc(N(C)C)c(F)c1	299309949	DUAHUWYOQHEUJN-SNVBAGLBSA-N	268.332	1.933	10	20	CDCD	
Cc1nn(C)cc1S(=O)(=O)Nc1ccc(O)cc1F	808105673	LTLVGFIWZIFKLX-UHFFFAOYSA-N	285.300	1.374	10	20	CDCD	
OC[C@@H]1CC[C@H](CNCc2ccc3c(c2)CCO3)O1	292622303	IXFOMXUIJCYMOM-KGLIPLIRSA-N	263.337	1.251	10	20	CDCD	
CC(=O)N[C@H]1CCN(Cc2cc(Cl)cc(F)c2O)C1	817413985	BENOFWJMFPFBIW-NSHDSACASA-N	286.734	1.895	10	20	CDCD	
COc1cccc(CN2CC[C@@H]3NC(=O)CC[C@H]3C2)c1O	827141577	UVTMFRYBEVQSLH-AAEUAGOBSA-N	290.363	1.501	10	20	CDCD	
CC[C@H](C)NC(=O)[C@H](C)NC(=O)NCc1ccccc1O	726249287	UMGPWJMLBKNJAQ-QWRGUYRKSA-N	293.367	1.495	10	20	CDCD	
COC(=O)NC(C)(C)C(=O)N[C@H](C)c1ccccc1O	827936894	FTZFJLIDQSRRJK-SECBINFHSA-N	280.324	1.704	10	20	CDCD	
C[C@@H]1CCC(=O)CN1C(=O)c1c(F)ccc(O)c1O	900709935	CICAPXDARXVFOX-SSDOTTSWSA-N	267.256	1.431	10	20	CDCD	
Cc1cc(C)c(O)c(CN2CC[C@@H](CS(N)(=O)=O)C2)c1	902525728	YYWCZDIUUGKCHR-GFCCVEGCSA-N	298.408	1.119	10	20	CDCD	
Nc1ccc(CC(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)cc1	832002189	DNWUBSNVKQRKDG-HUUCEWRRSA-N	274.364	1.885	10	20	CDCD	
Cc1cc(C(=O)NC[C@H]2C[C@H](O)C2)c(C)n1-c1ccccn1	834780773	OZKXXYFSLAWATQ-HDJSIYSDSA-N	299.374	1.990	10	20	CDCD	
CCc1c(C(=O)NCc2ccc(O)cc2O)ccn1C	910943778	HFVDUXRLBDCUKH-UHFFFAOYSA-N	274.320	1.929	10	20	CDCD	
CC[C@H](O)[C@@H](C)C(=O)NCc1ccc(O)cc1O	910942987	JKBATIBNNGZTEO-KCJUWKMLSA-N	253.298	1.121	10	20	CDCD	
Nc1ccc(CCNC(=O)NC[C@@H]2CCSC2)cc1	841891559	RPYQVZNCHLATOB-LBPRGKRZSA-N	279.409	1.864	10	20	CDCD	
NC[C@H]1CN(Cc2cccc(Cl)c2O)CCCO1	841100585	JJIUIWDNYGXBHQ-NSHDSACASA-N	270.760	1.595	10	20	CDCD	
C[C@@H](NC[C@H]1CN(C)CCN1C)c1ccc(Cl)cc1O	841762249	IJKVUPKBTSQLRW-YPMHNXCESA-N	297.830	1.942	10	20	CDCD	
CCOc1ccc(O)c(CN2C[C@H](O)C[C@@H]2COC)c1	846053438	SWGSPVCXMLJPOW-CHWSQXEVSA-N	281.352	1.373	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)c2c3c(nn2C)CCC3)c1	912999983	BBSOOZAWUGHWIC-UHFFFAOYSA-N	285.347	1.853	10	20	CDCD	
CN(C)c1ccc([C@H](N)CNC(=O)[C@@]2(C)CCOC2)cc1	911667935	UNKLDIXERKPFGR-ZBFHGGJFSA-N	291.395	1.295	10	20	CDCD	
COCC(COC)N[C@H](C)c1cccc(OC)c1O	846167820	FHNUIQSHLBDGFH-SNVBAGLBSA-N	269.341	1.713	10	20	CDCD	
CN[C@@H]1CCCN(Cc2cc(OC)c(OC)cc2O)C1	843048751	VWAWPMJUSPBHCN-GFCCVEGCSA-N	280.368	1.593	10	20	CDCD	
CN1CCCN=C1NCc1ccc(N2CC=CC2)cc1	849009818	SHTNEJDYKULOHK-UHFFFAOYSA-N	270.380	1.844	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)N[C@@H]1CC[C@@H](CN)C1	842010854	OTLAGWOVUJXZCW-DGCLKSJQSA-N	277.368	1.661	10	20	CDCD	
C[C@H]1C[C@H](NC(=O)NCc2ccc(N(C)C)cc2)CCN1	841653990	LIYNATBJXSIMLP-GXTWGEPZSA-N	290.411	1.692	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@H]2CSCCS2)c1	751067808	ASIRAULJJSHZLC-GFCCVEGCSA-N	299.417	1.866	10	20	CDCD	
CN(C)c1ccc(CN2CC[C@H]3NC(=O)CC[C@H]3C2)cc1	852495196	KFOAVXCATLQKMQ-GOEBONIOSA-N	287.407	1.853	10	20	CDCD	
C[C@@]1(CNC(=O)NCc2ccccc2O)CCCO1	755230747	NXFWDAXFHFKTQV-AWEZNQCLSA-N	264.325	1.761	10	20	CDCD	
CCNC(=O)CNCc1cc(OC)cc(C(C)(C)C)c1O	850009907	SYDHNWNEDYVMSZ-UHFFFAOYSA-N	294.395	1.924	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@]1(C)CCNC1=O	935945363	UZROXBRXQCADLP-HNNXBMFYSA-N	297.351	1.020	10	20	CDCD	
C[C@@H](NS(=O)(=O)c1ccn(C)n1)c1ccccc1O	867835407	ZFFWOKGLJAKSQW-SECBINFHSA-N	281.337	1.165	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)/C=C/[C@H]2CCOC2)c1	862755290	QASLZYKZOUIFNB-PYEVWLCESA-N	261.321	1.910	10	20	CDCD	
CN(Cc1nnnn1CC(F)(F)F)c1ccc(N)cc1	863558264	BKDQFGYSNNAASK-UHFFFAOYSA-N	286.261	1.454	10	20	CDCD	
C[C@@H](NC[C@H](O)CN(C)C1CC1)c1ccccc1O	879649315	NBWVFDBILBHYKX-YPMHNXCESA-N	264.369	1.498	10	20	CDCD	
C[C@H](C(=O)NCc1ccc(O)c(O)c1)C(F)(F)F	778920155	YASCEFUNNHNDIP-ZCFIWIBFSA-N	263.215	1.912	10	20	CDCD	
C[C@H](C(=O)NCc1ccc(N(C)C)c(F)c1)N(C)C	874252061	VYISTAVCJJRKKW-SNVBAGLBSA-N	267.348	1.458	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCC(c2ncccn2)CC1	1123953512	GPELRYPUZGXFGC-UHFFFAOYSA-N	299.330	1.908	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H](N)CC1CC1	884232113	ISOOOPJNFALCMA-ZDUSSCGKSA-N	289.379	1.605	10	20	CDCD	
COc1ccc(O)c(CN2CCN(CCO)C(C)(C)C2)c1	783713478	CIYOMJFYRUVGGG-UHFFFAOYSA-N	294.395	1.289	10	20	CDCD	
CNC[C@H]1CCN(Cc2cc(OC)ccc2O)C1	71142399	AHSYDUVAIPQWAE-LLVKDONJSA-N	250.342	1.442	10	20	CDCD	
CNC(=O)CCCN(C)Cc1cc(F)cc(F)c1O	894062524	YOUDYPJPOXMZTG-UHFFFAOYSA-N	272.295	1.628	10	20	CDCD	
COc1cc(C)cc(CNCCN2CCO[C@@H](C)C2)c1O	894241814	MBRDTHBKHFDJFI-ZDUSSCGKSA-N	294.395	1.520	10	20	CDCD	
CNC(=O)[C@@H](C)CN(C)Cc1ccc(OC)c(OC)c1O	892208372	ZILFPPQLARRAJR-JTQLQIEISA-N	296.367	1.223	10	20	CDCD	
COc1ccc(CN[C@H]2CN(C(C)=O)C[C@@H]2C)cc1C	1054305897	PQLKWRXRNJEORN-WFASDCNBSA-N	276.380	1.960	10	20	CDCD	
COc1ccc(CNC(C)(C)CO)c(O)c1OC	893344231	SFOTVAKGCKFWSX-UHFFFAOYSA-N	255.314	1.270	10	20	CDCD	
Cc1cnc(CNC(=O)c2ccc(C)c(O)c2O)o1	780956602	MEPAHADFGPTFRD-UHFFFAOYSA-N	262.265	1.633	10	20	CDCD	
COc1cc(C)cc(CN2C[C@H](C)O[C@@H](CO)C2)c1O	894539063	WZZMQDOWAVJWKE-WCQYABFASA-N	281.352	1.291	10	20	CDCD	
CO[C@@H](C)[C@H](C)NCc1ccc(N2CCN(C)CC2)cc1	786165597	ATWSXHJFCKVLAG-GJZGRUSLSA-N	291.439	1.951	10	20	CDCD	
CN(Cc1ccccc1O)c1ccnc(C(N)=O)c1	302679734	WEKGDFSOZHHYSB-UHFFFAOYSA-N	257.293	1.523	10	20	CDCD	
CN(C)c1cc(NC(=O)c2cccc(O)c2O)ccn1	790858681	FISAKQOXOFOQEG-UHFFFAOYSA-N	273.292	1.811	10	20	CDCD	
CCc1cccc(CNC[C@H]2CN(C)CCN2C)c1O	691464828	KMSRTNFWWVUWIC-HNNXBMFYSA-N	277.412	1.290	10	20	CDCD	
COCCCN(CCOC)Cc1c(O)cccc1OC	768936368	JWIWDZFHZPFTDD-UHFFFAOYSA-N	283.368	1.886	10	20	CDCD	
Cc1ccc(CN[C@@H]2CCS(=O)(=O)[C@@H]2C)c(O)c1	877656802	QZDFVYITMMQIHO-ZYHUDNBSSA-N	269.366	1.366	10	20	CDCD	
C[C@@H](N[C@H]1[C@@H]2CNC[C@@H]21)c1cc(F)cc(F)c1O	1325720694	GCIMOWXDJSXPOZ-XUJCCDQDSA-N	254.280	1.539	10	20	CDCD	
C[C@@H](CCCCN)NC(=O)NCc1ccc(N)cc1	1335557034	ZRLIVZXLCWVBFC-NSHDSACASA-N	264.373	1.586	10	20	CDCD	
C=CC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1	1336679947	BDAMCQLPDGVJRR-UHFFFAOYSA-N	282.290	1.604	10	20	CDCD	
CC[C@H](CNC(=O)NCc1c(O)cccc1F)C(=O)O	1343134714	RBVOJKYIKKLTPD-MRVPVSSYSA-N	284.287	1.441	10	20	CDCD	
COCCn1c(-c2sccc2O)nnc1N1CCCC1	1514778050	YKUNGSWBQAFUQM-UHFFFAOYSA-N	294.380	1.959	10	20	CDCD	
CC(=O)C(=O)COC(=O)CCc1ccccc1C(=O)O	1609567994	OWTXPKTWYFFRHR-UHFFFAOYSA-N	278.260	1.019	10	20	CDCD	
C[C@H](NC(=O)NC[C@H](F)C(=O)O)c1ccccc1O	1607455898	ZABWHZAPMDWNFK-CBAPKCEASA-N	270.260	1.175	10	20	CDCD	
C[C@H]1C[C@H](CN(C)c2ccc(OCC(=O)O)cc2)CCN1	1609842788	RAMCYFLPTQHMKY-QWHCGFSZSA-N	292.379	1.974	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)COCC(F)(F)F	119992637	GVGAUQVNTKHYBY-UHFFFAOYSA-N	277.242	1.930	10	20	CDCD	
CC(C)NC(=O)[C@@H](C)NCc1ccc2c(c1)CCO2	228937309	FFIRQFPHNPDYJO-LLVKDONJSA-N	262.353	1.624	10	20	CDCD	
CCN(CC)c1ccc(CN(C)C(=O)[C@@H](N)[C@@H](C)O)cc1	1577697538	NIMPVEGORUQHQC-DOMZBBRYSA-N	293.411	1.199	10	20	CDCD	
CN1C[C@H](CN(C)c2ccc(OCC(=O)O)cc2)OC1=O	1598566996	OQIFLXXLIIOLQN-LBPRGKRZSA-N	294.307	1.037	10	20	CDCD	
Oc1cccc(F)c1CNc1cc(-c2nn[nH]n2)ncn1	1593539579	ARPDTUWBCJUSPS-UHFFFAOYSA-N	287.258	1.114	10	20	CDCD	
CO[C@H]1CCN(Cc2ccccc2O)[C@H](C(=O)O)C1	902031166	HWZQPPAGTINHJM-RYUDHWBXSA-N	265.309	1.456	10	20	CDCD	
COc1ccc(O)c(CN2CC[C@H](C(=O)N(C)C)C2)c1	840957111	DONKKWBEHDRSAN-NSHDSACASA-N	278.352	1.311	10	20	CDCD	
COc1nccc(CNCc2ccc3c(c2)CCO3)n1	823752608	IWAXTGAQPAIMOG-UHFFFAOYSA-N	271.320	1.710	10	20	CDCD	
Cc1ccc(O)c([C@@H](C)NC[C@H]2COCCO2)c1	38060814	XVFDLGQVYUCQPD-NEPJUHHUSA-N	251.326	1.767	10	20	CDCD	
COc1cc(N(C)CCC(=O)O)c([N+](=O)[O-])cc1OC	158096244	FLHBWWSHZCBRGT-UHFFFAOYSA-N	284.268	1.523	10	20	CDCD	
CCOc1cccc(CNCC(=O)NC(C)C)c1O	36781594	ZCLZCKIWGIKTEC-UHFFFAOYSA-N	266.341	1.405	10	20	CDCD	
C[C@H]1CN(Cc2ccccc2O)C[C@H](C)S1(=O)=O	290762066	BPNHSIVLDONTCE-QWRGUYRKSA-N	269.366	1.400	10	20	CDCD	
CC[C@@H](C)[C@@H](CNC(=O)c1cccc(O)c1O)OC	294239941	PCXSXRBGGTUSQF-BXKDBHETSA-N	267.325	1.889	10	20	CDCD	
CN(CCOC[C@@H]1CCCO1)c1ccc(N)cc1	693045603	PGXVMNHNZUOUSJ-AWEZNQCLSA-N	250.342	1.901	10	20	CDCD	
Oc1ccccc1CN1CCN(CCN2CCCC2)CC1	179553727	AJULXHRGHKRAST-UHFFFAOYSA-N	289.423	1.606	10	20	CDCD	
Cc1nc([C@@H](C)NC(=O)c2cccc(O)c2O)no1	1344117446	YIZAXQIXKUJDSC-ZCFIWIBFSA-N	263.253	1.280	10	20	CDCD	
COc1ccc(O)c(CNC[C@@](C)(O)C2CC2)c1	310939186	JDWFDPZKMWBPEJ-CQSZACIVSA-N	251.326	1.651	10	20	CDCD	
C[C@H](O)[C@H]1CCN(C(=O)NCc2ccc(N(C)C)cc2)C1	181325615	LQZSAXOXGVGOAQ-JSGCOSHPSA-N	291.395	1.665	10	20	CDCD	
CN1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2O)CC1=O	127338503	YRGCYKMMLRAIKR-UHFFFAOYSA-N	299.714	1.228	10	20	CDCD	
COc1cccc(CNCC2(S(C)(=O)=O)CCC2)c1O	279851414	RTHYWFOISHRQGI-UHFFFAOYSA-N	299.392	1.458	10	20	CDCD	
C[C@H]1C(=O)NCCCN1Cc1ccc(N(C)C)cc1	189074577	HMNFIFMVKXTWTO-LBPRGKRZSA-N	261.369	1.463	10	20	CDCD	
Cn1cc(S(=O)(=O)Nc2ccc(O)c(Cl)c2)cn1	85204614	BNYSTMOFIOWMIZ-UHFFFAOYSA-N	287.728	1.580	10	20	CDCD	
C[C@H](O)CN(C)Cc1cc(Cl)cc([N+](=O)[O-])c1O	130701956	UBUDYAGJNNKMSP-ZETCQYMHSA-N	274.704	1.766	10	20	CDCD	
CN(C)c1ccc(CNC(=O)C[C@@H]2CCCO2)cc1	46741706	BNJOXPGESDMRAK-AWEZNQCLSA-N	262.353	1.938	10	20	CDCD	
COc1ccc(O)c(CN2CCOC[C@@]23CCOC3)c1	195013523	SEKQDQZSQMOWKD-HNNXBMFYSA-N	279.336	1.392	10	20	CDCD	
COC(=O)[C@H]1CC[C@@H](NCc2cc(F)ccc2O)C1	193498037	ILFUROBPFHRMBE-JOYOIKCWSA-N	267.300	1.963	10	20	CDCD	
NC1(C(=O)NCCCSc2nccs2)CC1	237790092	KMTYXHPTFANRAS-UHFFFAOYSA-N	257.384	1.233	10	20	CDCD	
Cc1c(CNC(=O)C(=O)N2CCCC2)n(C)c2ccccc12	334369357	NCYNCLFUMWCJOL-UHFFFAOYSA-N	299.374	1.725	10	20	CDCD	
COC(=O)[C@H]1COCCN1Cc1cc(C)ccc1O	271177678	KPRPXRSQICGRFA-GFCCVEGCSA-N	265.309	1.074	10	20	CDCD	
CCCOc1ccc(CNC[C@@H](COC)OC)c(O)c1	272709215	UXDHCSMPGZSCEO-AWEZNQCLSA-N	283.368	1.932	10	20	CDCD	
CC(=O)c1cc(F)cc(CN[C@](C)(C(N)=O)C(C)C)c1O	289261384	DEGCQPUAVNMNNT-HNNXBMFYSA-N	296.342	1.724	10	20	CDCD	
C[C@@H](N[C@H](C)c1ccc(F)cc1O)C(=O)NCCF	282654684	IFXDALHFIBMKPR-RKDXNWHRSA-N	272.295	1.656	10	20	CDCD	
CC(C)[C@H](NC(=O)c1cccc(O)c1O)c1ncc[nH]1	283035932	OZHAUAMBBHKBMA-NSHDSACASA-N	275.308	1.948	10	20	CDCD	
COc1cccc(CN2CCC[C@@H](CO)CC2)c1O	294081460	QZNNBWLHDLJULC-GFCCVEGCSA-N	265.353	1.995	10	20	CDCD	
C[C@@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2O)CC(=O)N1	294968951	IUMSXTCEKHMNBN-SSDOTTSWSA-N	299.714	1.274	10	20	CDCD	
CCN1C(=O)/C(=C\c2ccnc(OC)n2)SC1=S	296061598	XGKLEDSSLPSSCL-SOFGYWHQSA-N	281.362	1.706	10	20	CDCD	
CN(C)c1ccc(CN2CC[C@@](F)(CO)C2)cc1F	802661974	ZBIRLYKUPUKLIL-AWEZNQCLSA-N	270.323	1.798	10	20	CDCD	
CO[C@@H]1COCC[C@@H]1CNCc1ccc(N(C)C)cc1	824708019	COQHCPZQYYXFBZ-GDBMZVCRSA-N	278.396	1.894	10	20	CDCD	
Cc1cc(O)c(CN2CCN(C[C@H](C)O)CC2)cc1Cl	824710700	ZGPORVAIHOZPMD-LBPRGKRZSA-N	298.814	1.852	10	20	CDCD	
C[C@@H]1C(=O)NCCN1Cc1ccc(Br)cc1O	824645923	TVWNTKLYNPZROC-MRVPVSSYSA-N	299.168	1.475	10	20	CDCD	
Cc1cc(CN2CC[C@@H](C(=O)N(C)C)C2)ccc1N(C)C	839635240	FJUFQTSHUWZCBM-OAHLLOKOSA-N	289.423	1.971	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2nccnc2C)c1	830541071	RSJOUZVXSJEPBM-SECBINFHSA-N	287.319	1.990	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1NC(=O)O[C@H]1C	841394845	QLVZTMFQHCRXKH-GXFFZTMASA-N	291.351	1.174	10	20	CDCD	
CC[C@@H](C)[C@@H](CNC(=O)C(=O)Nc1ccc(N)cc1)OC	841135355	GTMHOZRECRVDEP-ZWNOBZJWSA-N	293.367	1.385	10	20	CDCD	
CO[C@@H]1COC[C@H]1NCc1ccc(N(C)C)cc1C	843427474	CPIHGNQFQFGDPO-HUUCEWRRSA-N	264.369	1.564	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H](C)COCC2CC2)c(O)c1O	846527269	IKJAKWIZZCHANG-JTQLQIEISA-N	279.336	1.951	10	20	CDCD	
C[C@H]1CN(Cc2ccc(N3CCOCC3)cc2)[C@@H](C)CN1	843119664	BDRTWUBBPYQKCH-GJZGRUSLSA-N	289.423	1.705	10	20	CDCD	
CCc1cccc(CNCCC2(O)CCOCC2)c1O	848911952	ZUSGGYNQWPZBFH-UHFFFAOYSA-N	279.380	1.976	10	20	CDCD	
C[C@@H](NCc1ccc(N2CCC(O)CC2)cc1)C1CNC1	854230066	FZARCTKVLWWONS-CYBMUJFWSA-N	289.423	1.345	10	20	CDCD	
Cc1cc(CN(C)CCN2CCNCC2)ccc1N(C)C	923286232	LNBMMSXCYLSXFZ-UHFFFAOYSA-N	290.455	1.398	10	20	CDCD	
CC[C@@H](NCCN1CC[C@@H](O)C1)c1ccccc1O	858549665	YJQSJHWTQCSTOA-TZMCWYRMSA-N	264.369	1.500	10	20	CDCD	
C[C@@H]1C[C@H](N[C@H]2CC(=O)N(C)C2)c2c(O)ccc(F)c21	756524603	HOPRLCIFOBKOBH-YWVKMMECSA-N	278.327	1.900	10	20	CDCD	
C[C@@H](NC(=O)NC/C=C/CO)c1ccc(N(C)C)cc1	854002637	CBOBZSPDMVEMFY-ZYOFXKKJSA-N	277.368	1.661	10	20	CDCD	
Cc1ccc(O)c(CNS(=O)(=O)CCCN(C)C)c1	867558746	AQCJBGOCGHQBKD-UHFFFAOYSA-N	286.397	1.072	10	20	CDCD	
CCOc1ccc(CN(C)C[C@H](C)C(=O)NC)c(O)c1	769570284	YYTXRNWAVONANB-NSHDSACASA-N	280.368	1.605	10	20	CDCD	
COc1cc(O)c(CN2CCN(C)[C@@H](C)[C@H]2C)cc1OC	775986685	RYAPJMKSKNWKML-NWDGAFQWSA-N	294.395	1.934	10	20	CDCD	
CC[C@H](O)c1cn(Cc2ccc(N(C)C)cc2)nn1	881272542	ZHWODDUILASOMJ-AWEZNQCLSA-N	260.341	1.836	10	20	CDCD	
COCCCOC(=O)/C=C\c1ccc(O)c(O)c1	772776254	PDECTGXJHDHEFB-XQRVVYSFSA-N	252.266	1.691	10	20	CDCD	
C[C@H](NCc1nncn1C)c1c(O)cccc1F	886501294	DYCIBNQLFZOSNR-QMMMGPOBSA-N	250.277	1.511	10	20	CDCD	
CCN1C[C@H](C)N(C(=O)c2ccc(C)c(O)c2O)C[C@@H]1C	781001864	QMVMLMUJYBWVGH-RYUDHWBXSA-N	292.379	1.961	10	20	CDCD	
COc1cc(C)cc(CN2CC[C@H](C)C[C@@H]2C(N)=O)c1O	894500943	SLHLMUYVVNAJIR-GXFFZTMASA-N	292.379	1.795	10	20	CDCD	
CN(C)c1ccc([C@H](CN[C@@H]2CCOC2)N(C)C)cc1	898451297	WXWDXCPBXXBMKD-ZBFHGGJFSA-N	277.412	1.734	10	20	CDCD	
COc1cc(C)cc(CNCc2nnc3n2CCC3)c1O	894167848	UCPZOEXYZHFGOM-UHFFFAOYSA-N	288.351	1.537	10	20	CDCD	
Cc1ccc(CC(=O)OCC(=O)c2ccc(O)c(O)c2)o1	784364382	BBWYLQWFNLCJQK-UHFFFAOYSA-N	290.271	1.968	10	20	CDCD	
C[C@H](O)C(=O)N(Cc1ccco1)Cc1ccccc1O	787119804	DIXWAEMRWWUHPE-NSHDSACASA-N	275.304	1.895	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)OCCC1OCCO1	781193787	SDKUOXAVIXDRID-RQOWECAXSA-N	280.276	1.417	10	20	CDCD	
CC(=O)c1cc(F)cc(CN(C)CC[C@@H](C)O)c1O	79464780	FEPGZQIWDOESOB-SECBINFHSA-N	269.316	1.937	10	20	CDCD	
CCOCCONC(=O)NCc1ccc(OC)cc1O	793058067	FJSSNXYSJOAPQI-UHFFFAOYSA-N	284.312	1.168	10	20	CDCD	
O=[N+]([O-])c1ccc(O)c(CN[C@H](CO)C2CCOCC2)c1	1321542494	NJDKLAFKQIZUCC-CYBMUJFWSA-N	296.323	1.178	10	20	CDCD	
NC(=O)COC1CCN(Cc2c(O)cccc2Cl)CC1	1337043048	XNUHLPAPIWIFNK-UHFFFAOYSA-N	298.770	1.512	10	20	CDCD	
Cc1cc(CCC(=O)NCc2cccc(O)c2O)no1	1349080057	YEYSGPWAVJSQFM-UHFFFAOYSA-N	276.292	1.643	10	20	CDCD	
Cn1cc(/C=C/C(=O)N2C[C@H](CCN)c3ccccc32)cn1	1354511512	GKAZDCXDEFSTFU-UZYOAWRESA-N	296.374	1.913	10	20	CDCD	
O=C1CC[C@H](CSc2ncc(C(=O)O)s2)CCN1	1609035242	CAVMXJDNOHPKHO-ZETCQYMHSA-N	286.378	1.850	10	20	CDCD	
Cc1cc(O)c(CN2CCC[C@H](O)[C@H]2C(=O)O)cc1Cl	1607699146	HKXDXZASFRMJJA-AAEUAGOBSA-N	299.754	1.764	10	20	CDCD	
O=C(NCc1ccccc1O)c1cnn2ccccc12	225463212	XKPQTYBNJQCQRX-UHFFFAOYSA-N	267.288	1.970	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)c1	1605875298	CEWOCCXVUZNUEU-UHFFFAOYSA-N	298.306	1.139	10	20	CDCD	
CCN1C(=O)C(C)(C)N[C@H]1c1cc(C(=O)O)ccc1O	1610006547	XDUNANJSWVABGE-LLVKDONJSA-N	278.308	1.319	10	20	CDCD	
COC(=O)c1cccc2c1CCN2C(=O)C1=CC[C@@H](N)C1	1578877781	KSPDSMMKGIKIQH-LLVKDONJSA-N	286.331	1.410	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NC[C@@H]2CCCCN2)c1	1579723469	BTWHWZCARPEGDX-ZDUSSCGKSA-N	277.368	1.642	10	20	CDCD	
CC(C)C[C@H](CNC(=O)c1c(F)ccc(O)c1O)C(=O)O	1591153563	CMOZAALOKOVFMZ-MRVPVSSYSA-N	299.298	1.714	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NS(=O)(=O)C2CC2)c1	161156607	QLBVYYGIMHEGAL-MRVPVSSYSA-N	271.338	1.544	10	20	CDCD	
O=C1NCCN1CCNCc1cc(Cl)ccc1O	886324466	RYEXARWOOUEMNW-UHFFFAOYSA-N	269.732	1.160	10	20	CDCD	
Nc1ccc(NC(=O)CS(=O)(=O)C2CCCC2)cc1	62829933	WRHICKGFKANULS-UHFFFAOYSA-N	282.365	1.565	10	20	CDCD	
CCN(CC)C(=O)CNCc1ccc(OC)c(C)c1	64411398	SWWBPFMACUKHFK-UHFFFAOYSA-N	264.369	1.962	10	20	CDCD	
C[C@H](NC[C@@]1(O)CCOC1)c1ccc(N(C)C)cc1	90849200	XHUVHNHPMJETER-WFASDCNBSA-N	264.369	1.555	10	20	CDCD	
CCc1cccc(CNCCCN2CCOCC2)c1O	691464825	KMJUWZDFLWBZBZ-UHFFFAOYSA-N	278.396	1.767	10	20	CDCD	
O=C(O)[C@@H]1CCC[C@@H](C(=O)NCc2ccccc2O)C1	380355641	GRHQJYCUOSROQO-GHMZBOCLSA-N	277.320	1.899	10	20	CDCD	
CC[C@@H](NCc1ccc(N2CCOCC2)cc1)[C@@H](C)O	386694456	LDUDWAKFFOJHOK-CZUORRHYSA-N	278.396	1.772	10	20	CDCD	
COc1cccc(NC=C2C(=O)N(C)C(=O)N(C)C2=O)c1	6505068	LUXKNHYIKLPIGB-UHFFFAOYSA-N	289.291	1.041	10	20	CDCD	
CN(C)C(=O)NCc1ccc(N2CCOCC2)c(F)c1	56333234	HOUJYJSCYFOCNH-UHFFFAOYSA-N	281.331	1.434	10	20	CDCD	
COc1cccc(CNC(=O)c2ccnc(F)c2)c1O	105649466	RVKKSFXHQSYCSL-UHFFFAOYSA-N	276.267	1.865	10	20	CDCD	
COCCN(CC(=O)N(C)C)Cc1cccc(C)c1O	179751375	ZDRVXVHPIANITK-UHFFFAOYSA-N	280.368	1.237	10	20	CDCD	
CCO[C@H]1C[C@H]1C(=O)NCc1cccc(OC)c1O	171487145	QWLFEIMBBAHBGQ-PWSUYJOCSA-N	265.309	1.442	10	20	CDCD	
COc1ccc(O)c([C@H](C)N[C@@H](C)CN2CCOCC2)c1	36933061	PBIGFZKVTDMASS-STQMWFEESA-N	294.395	1.772	10	20	CDCD	
CCO[C@H]1C[C@H]1C(=O)NCc1ccc(O)c(O)c1	182532397	YTMTUBJROCJQNP-SKDRFNHKSA-N	251.282	1.139	10	20	CDCD	
O=C(NCc1ccccc1O)c1cnc(Cl)cn1	227828827	LRFBLFNQHHAOQN-UHFFFAOYSA-N	263.684	1.766	10	20	CDCD	
COc1cccc(CN2CCC[C@H](CC(N)=O)C2)c1O	93809037	OEJSVRAEYUELGE-LLVKDONJSA-N	278.352	1.488	10	20	CDCD	
Nc1ccc(CC(=O)NCCCOC2CCOCC2)cc1	238111808	CSKGDNFSSPCEPT-UHFFFAOYSA-N	292.379	1.513	10	20	CDCD	
CCCOc1ccc(CN2CCNC(=O)[C@H]2CC)c(O)c1	93050456	QQZPHOQLOBFVLX-CQSZACIVSA-N	292.379	1.891	10	20	CDCD	
CNC[C@@H](C)C(=O)N1CCOc2cc(N(C)C)ccc21	237162180	XREIXLVBRHKSDR-LLVKDONJSA-N	277.368	1.334	10	20	CDCD	
Cc1cccc(CN(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)c1O	180259646	LHERABFFINPTAN-NWDGAFQWSA-N	285.409	1.954	10	20	CDCD	
CCOC(=O)CCCNC(=O)NCc1ccccc1O	299547977	WSPHXTLWVIBXTD-UHFFFAOYSA-N	280.324	1.535	10	20	CDCD	
COC(=O)CN(Cc1cc2c(cc1O)OCO2)C1CC1	267731871	VVSZLMIUBJOHEO-UHFFFAOYSA-N	279.292	1.258	10	20	CDCD	
Nc1ccc(CCNC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2N)cc1	262569838	BSJARUYRWAEBGK-VIRABCJISA-N	273.380	1.301	10	20	CDCD	
Cc1ccc(C(=O)NCCCC(=O)OC(C)C)c(O)c1O	274326429	YQKUFURKBLFLLM-UHFFFAOYSA-N	295.335	1.868	10	20	CDCD	
C[C@H]1CN(C(=O)c2c(F)ccc(O)c2O)C[C@@H]1C	276639189	XKVOAHVDLONCQR-YUMQZZPRSA-N	253.273	1.965	10	20	CDCD	
O=[N+]([O-])c1ccc(O)c(CN[C@H]2CCc3c[nH]nc3C2)c1	374541581	OYDQYBVUCFHGFU-NSHDSACASA-N	288.307	1.671	10	20	CDCD	
COc1ccc(CNC(=O)c2cncn2C)c(O)c1	809801753	GJRDXXRBXWDWBP-UHFFFAOYSA-N	261.281	1.064	10	20	CDCD	
COc1cc(O)c(CNCC(C)(C)OCCO)cc1OC	290125812	JFSFOZXJQWCQRU-UHFFFAOYSA-N	299.367	1.287	10	20	CDCD	
C[C@@H]1CN(C(=O)c2c(F)ccc(O)c2O)C[C@@H](C2CC2)O1	296319247	ORBNTHYVTPDJBZ-PELKAZGASA-N	295.310	1.876	10	20	CDCD	
CCCCN(C)C[C@H](C)NC(=O)c1cccc(O)c1O	291077467	ZEMDSLBOOJLONV-NSHDSACASA-N	280.368	1.948	10	20	CDCD	
CCOc1cccc(CN2CC[C@](F)(CO)C2)c1O	802660708	UKJCXVOTRZBIDS-CQSZACIVSA-N	269.316	1.697	10	20	CDCD	
CCNC(=O)CN(C)Cc1cc(Cl)c(F)cc1O	816493942	SLEQWXRYTFMBIZ-UHFFFAOYSA-N	274.723	1.753	10	20	CDCD	
CN(Cc1cc(Cl)c(F)cc1O)[C@H]1CCNC1=O	816521174	JDSPHSZSTMRMIE-JTQLQIEISA-N	272.707	1.505	10	20	CDCD	
C[C@H]1C(=O)N(C)CCN1Cc1cc(Cl)c(F)cc1O	816574702	PRSVGDHGWQIJRE-QMMMGPOBSA-N	286.734	1.847	10	20	CDCD	
COC(=O)c1cncc(NCc2cc(OC)ccc2O)n1	811805894	FLEDSWGFKMTFCG-UHFFFAOYSA-N	289.291	1.590	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](O)CCSC)c1	827304260	VUBWBFIIBPAQGE-RNCFNFMXSA-N	299.392	1.692	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN[C@H]1CCC(=O)N(C)C1=O	822520705	MOCAHMNZXPAIIR-AWEZNQCLSA-N	289.379	1.298	10	20	CDCD	
Cc1ccsc1/C=C1\SC(=S)N(CC(N)=O)C1=O	727176620	NDKZKSVCMXEVFO-YWEYNIOJSA-N	298.414	1.743	10	20	CDCD	
CC(C)(O)[C@@H]1CCCN1C(=O)/C=C\c1ccc(O)c(O)c1	588407319	NHGJQGACPLDQEV-QPBFKRLHSA-N	291.347	1.873	10	20	CDCD	
COc1ccc(CN[C@H](C(=O)O)[C@@H]2CCCOC2)cc1C	901834792	YLHJIYMLETYCPF-HIFRSBDPSA-N	293.363	1.973	10	20	CDCD	
C[C@H](N[C@@H]1COC[C@H]1O)c1cccc(C(F)(F)F)c1O	834897908	XFNIARFJYCVWQH-WHGOUJPWSA-N	291.269	1.821	10	20	CDCD	
CCc1nocc1/C=C1/SC(N2CCOCC2)=NC1=O	834412519	HXQUSWRRPOPJPR-YRNVUSSQSA-N	293.348	1.540	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@H]2CCCCN2C)cc1F	732279194	KCAOARBLUOGMGR-HNNXBMFYSA-N	293.386	1.992	10	20	CDCD	
O=C(NCCOC(=O)C1CC1)c1cc(O)cs1	839755598	GBQJYCLWSKUDTN-UHFFFAOYSA-N	255.295	1.137	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N[C@H]2CCCNCC2)cc1	841653321	JIQSWEDNZNXICF-AWEZNQCLSA-N	290.411	1.694	10	20	CDCD	
C[C@@]1(CNCc2cc3c(cc2O)OCO3)CCCNC1	841056880	JMJJPKMGXPKUMK-OAHLLOKOSA-N	278.352	1.600	10	20	CDCD	
CCN(CCC1CC1)C(=O)C(=O)Nc1ccc(N)cc1	841108521	CLGFAZLGDGQGSS-UHFFFAOYSA-N	275.352	1.856	10	20	CDCD	
CCCCN(C)CCNC(=O)C(=O)Nc1ccc(N)cc1	841041143	ARNBYKJVIXPVJZ-UHFFFAOYSA-N	292.383	1.055	10	20	CDCD	
O=C(/C=C/[C@@H]1CCOC1)NCc1ccc(O)cc1O	910945445	WMOXMQHWKVJXRI-YEQXMLPJSA-N	263.293	1.307	10	20	CDCD	
CCS(=O)(=O)CCN[C@H](C)c1cccc(OC)c1O	846148319	ZDXLSMNATPUPKP-SNVBAGLBSA-N	287.381	1.486	10	20	CDCD	
COC[C@H]1C[C@@H](O)CN1Cc1cccc(Cl)c1O	846053476	ULSRYLPQLPFGBA-GHMZBOCLSA-N	271.744	1.627	10	20	CDCD	
COc1ccc(O)c(CNC(=O)C[C@@H](C)n2ccnc2)c1	845834480	PJGGRZYVMKRWDZ-LLVKDONJSA-N	289.335	1.865	10	20	CDCD	
C[C@@H]1CCCN1S(=O)(=O)NCCc1ccc(N)cc1	842822248	AYGLFKTUYRCXQX-LLVKDONJSA-N	283.397	1.130	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNCCCCCCN)c1O	843129190	NEBZORPXHXUCQC-UHFFFAOYSA-N	297.355	1.918	10	20	CDCD	
COCCN(CCN)c1ccc(OC)c(OC)c1	842472493	BBBBSADPODCYQG-UHFFFAOYSA-N	254.330	1.115	10	20	CDCD	
COc1cccc([C@@H](C)NCCCNC(C)=O)c1O	846138052	XRRUTRGGWSNPNP-SNVBAGLBSA-N	266.341	1.578	10	20	CDCD	
CNC(=O)CCNCc1cc(F)c(N(C)C)cc1F	858108331	CCKGVROVXMHDDQ-UHFFFAOYSA-N	271.311	1.257	10	20	CDCD	
COc1ccc(O)c(CN2CC[C@H](C)[C@H](CO)C2)c1	857061172	LEVNLAQBPFFZBE-AAEUAGOBSA-N	265.353	1.851	10	20	CDCD	
CN(CC1CC1)S(=O)(=O)Nc1ccc(O)cc1F	758169303	NNLWXTDLYDWPGZ-UHFFFAOYSA-N	274.317	1.530	10	20	CDCD	
CNC(=O)CCCNC(=O)N[C@H](C)c1ccccc1O	868360767	XTQGFKHKSGSVQG-SNVBAGLBSA-N	279.340	1.279	10	20	CDCD	
COC(=O)[C@@H]1CN(Cc2cc(OC)c(C)cc2O)CCO1	768448136	BOJMGGKUXDRVLL-AWEZNQCLSA-N	295.335	1.083	10	20	CDCD	
CCOCC[C@@H](O)CN[C@H](C)c1cc(OC)ccc1O	769785337	AIJPVHBMQKCKLZ-VXGBXAGGSA-N	283.368	1.839	10	20	CDCD	
O=C1NC2(CC2)C(=O)N1Cc1ccc(N2CC=CC2)cc1	1119696955	DVNVGPVCSQRURU-UHFFFAOYSA-N	283.331	1.647	10	20	CDCD	
CCCN(CC(=O)OC)Cc1cc2c(cc1O)OC[C@@H]2O	768440675	XXLRQDUEKPWCJQ-ZDUSSCGKSA-N	295.335	1.203	10	20	CDCD	
CC(=O)C1=NN(c2cc([N+](=O)[O-])ccc2C)C(=O)C1	871950033	UZTNCQNJTBKNLV-UHFFFAOYSA-N	261.237	1.585	10	20	CDCD	
C[C@@H](NC(=O)C1(C(N)=O)CC1)c1ccc(N(C)C)cc1	772999831	MVJDUNJPZJLWHP-SNVBAGLBSA-N	275.352	1.195	10	20	CDCD	
COCC1CN(Cc2cc3c(cc2O)OCO3)C1	895970079	BLYDHHWPDAATKG-UHFFFAOYSA-N	251.282	1.199	10	20	CDCD	
C[C@@H](NC(=O)NCC[C@H]1CCNC1)c1ccccc1O	892001422	VIAXPHOMHYMKKE-VXGBXAGGSA-N	277.368	1.752	10	20	CDCD	
COc1cc(C)cc(CN2C[C@@H](CO)OC[C@@H]2C)c1O	894092733	AINYHHWOVOHMLZ-AAEUAGOBSA-N	281.352	1.291	10	20	CDCD	
COC(=O)CN(C)Cc1ccc(OC)c(OC)c1O	891639146	QDZBAOFXKABMRC-UHFFFAOYSA-N	269.297	1.014	10	20	CDCD	
COCC1CN(Cc2cc(C)cc(OC)c2O)C1	895976034	KNIWHURVYRFOPS-UHFFFAOYSA-N	251.326	1.787	10	20	CDCD	
COc1ccc(O)c(CN[C@@H](C)Cc2cnn(C)c2)c1	772982340	CYUXNXVPFQOIJV-NSHDSACASA-N	275.352	1.855	10	20	CDCD	
O=C(NCc1cccc(O)n1)c1cccc(O)c1O	790911071	DMYAROOLSLIRCP-UHFFFAOYSA-N	260.249	1.128	10	20	CDCD	
Oc1c(Cl)cccc1CNCc1nnc2n1CCOC2	1338953418	JNARCXRMRYQYAH-UHFFFAOYSA-N	294.742	1.457	10	20	CDCD	
CN(C)C[C@H]1CCN(C(=O)NCc2ccc(N)cc2)C1	1346739314	PQXXQNJLEUKQEG-CYBMUJFWSA-N	276.384	1.362	10	20	CDCD	
COCCOCCN(C)Cc1c(O)cccc1OC	809789924	NSKYLABTCKZZTN-UHFFFAOYSA-N	269.341	1.496	10	20	CDCD	
CC(C)c1ccc(O)c(CN2CCC(N)(CO)CC2)c1	1575858358	GIHOOWHODCFNLG-UHFFFAOYSA-N	278.396	1.801	10	20	CDCD	
CC[C@@H](NCCCNC(C)=O)c1ccccc1O	121107602	CLEFKDQQCPMHSJ-CYBMUJFWSA-N	250.342	1.959	10	20	CDCD	
CSC[C@@](C)(O)CNCc1ccc(C)cc1O	877055636	DHNCVCJAOAIHGH-ZDUSSCGKSA-N	255.383	1.904	10	20	CDCD	
COc1ccc(CNCCN2CCNC2=O)cc1C	886324586	ZRRMJOAESOMXAB-UHFFFAOYSA-N	263.341	1.118	10	20	CDCD	
CC(=O)N1CCC[C@@H](C(=O)Nc2ccc(N)cc2)C1	160350404	JKKIMWORMJGVEH-LLVKDONJSA-N	261.325	1.466	10	20	CDCD	
CCOc1cccc(CNCC(C)(C)OCCO)c1O	288492856	RBSOALWBLRCWCT-UHFFFAOYSA-N	283.368	1.668	10	20	CDCD	
O=C(N[C@H](CO)C1CCCC1)c1cccc(O)c1O	291364303	VQHVUJKFPQCGLX-LLVKDONJSA-N	265.309	1.379	10	20	CDCD	
CC(=O)N[C@H](C(=O)N[C@H](C)c1ccccc1O)C(C)C	827922985	GLMXQSXYKCNFHW-YGRLFVJLSA-N	278.352	1.730	10	20	CDCD	
CCN1C[C@@H](C(=O)N[C@H](C)c2ccccc2O)CC1=O	827922854	AQWPURCLKJDDRA-MNOVXSKESA-N	276.336	1.438	10	20	CDCD	
COC[C@]1(C(=O)N[C@H](C)c2ccccc2O)CCNC1	870987703	AQKFTPSMOJBCGX-ABAIWWIYSA-N	278.352	1.196	10	20	CDCD	
CO[C@]1(C(F)(F)F)CCN(C(=O)CN=[N+]=[N-])C1	409429578	HPRCKUAMYCIJNF-SSDOTTSWSA-N	252.196	1.477	10	20	CDCD	
COC(=O)N1CCCN(C(=O)c2cc(O)cs2)CC1	105330711	PUAWESSNAPWJQQ-UHFFFAOYSA-N	284.337	1.368	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1c[nH]nn1	115490520	KQEYGWTXDYCWTE-UHFFFAOYSA-N	259.313	1.109	10	20	CDCD	
COC(=O)[C@H]1CN(Cc2cccc(Cl)c2O)C[C@@H](C)O1	180731462	SXLAXKJDKAQTPF-BXKDBHETSA-N	299.754	1.808	10	20	CDCD	
C=CC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	36334539	ZNEYSAWXRYRMFY-UHFFFAOYSA-N	260.337	1.668	10	20	CDCD	
C/C=C/C[C@@H](CO)NCc1cc(OC)c(OC)cc1O	186529409	DHDQEXQBRYGHRH-ITKZLYELSA-N	281.352	1.826	10	20	CDCD	
C[C@@H]1CCN(Cc2cc(F)ccc2O)C[C@@H]1CN	235323164	BGWJHDNBAUKQKF-PWSUYJOCSA-N	252.333	1.948	10	20	CDCD	
Cc1cc(Cl)cc([C@H](C)NC[C@@H]2COCCN2)c1O	530222887	IFRSVMLDUNUISP-CMPLNLGQSA-N	284.787	1.993	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2CCN1CCOCC1	266867598	NOVNBNQMSCTTDP-UHFFFAOYSA-N	291.395	1.284	10	20	CDCD	
COC[C@H](O)CN[C@H](C)c1ccc(F)c(F)c1O	276854546	BLWBSIYFKSKLJA-HTQZYQBOSA-N	261.268	1.328	10	20	CDCD	
CN1CC[C@@H]2CCN(C(=O)c3cccc(O)c3O)[C@@H]2C1	279891826	SUOFWVGCOWUDMQ-ZYHUDNBSSA-N	276.336	1.264	10	20	CDCD	
COc1cc(N(C)Cc2nc(C)n[nH]2)cc(OC)c1OC	292424595	LLCONZQKJLVYQH-UHFFFAOYSA-N	292.339	1.775	10	20	CDCD	
Cc1ccc(C(=O)NCC[C@@H](C)CCO)c(O)c1O	295905274	IDYBFEYFCFUPMP-SECBINFHSA-N	267.325	1.545	10	20	CDCD	
CCCCN(Cc1ccccc1O)C(=O)C1=NNC(=O)C1	802658320	UKZTYWIMIDKOIY-UHFFFAOYSA-N	289.335	1.397	10	20	CDCD	
CC[C@H](N[C@@H]1COC[C@H]1O)c1cccc(Cl)c1O	296000693	QHQXPXMHBQELLV-QJPTWQEYSA-N	271.744	1.846	10	20	CDCD	
CN(C)c1ccc(CN2CC[C@H](CS(C)(=O)=O)C2)cc1	292412346	ZPTGAOQSVOUUTR-AWEZNQCLSA-N	296.436	1.619	10	20	CDCD	
Cc1cc(CN2CC(=O)N[C@H](C)C2)ccc1N(C)C	296390146	YWGIGXKGUBPEIR-GFCCVEGCSA-N	261.369	1.381	10	20	CDCD	
C[C@H](N)[C@H]1COCC[C@@H]1NCc1ccc(N(C)C)cc1	817894258	CLYRVDOLMPCVKO-MAZHCROVSA-N	277.412	1.595	10	20	CDCD	
C[C@@H](C(=O)N[C@H](C)c1ccccc1O)N1CCN(C)CC1	827936896	FVOFNCIMCSOAFL-OLZOCXBDSA-N	291.395	1.205	10	20	CDCD	
C[C@H](CNC(=O)c1c(F)ccc(O)c1O)N1CCCCC1	825505538	KUDWYWDHNVZJGX-SNVBAGLBSA-N	296.342	1.841	10	20	CDCD	
O=C(O)C1CCN(Cc2cccc(F)c2O)CC1	821511854	SVJKAUVFUNYHBD-UHFFFAOYSA-N	253.273	1.828	10	20	CDCD	
CCOC(=O)[C@H]1CSCN1C(=O)c1cccc(O)c1O	907903039	QRMYHCKIJMJXMT-SECBINFHSA-N	297.332	1.176	10	20	CDCD	
C[C@@H](NC(=O)N[C@]1(C)CCNC1)c1ccc(N(C)C)cc1	831073481	UUWVZDINWMIHJV-MLGOLLRUSA-N	290.411	1.865	10	20	CDCD	
CCOc1ccc(N(C)CCCS(N)(=O)=O)cc1	739922398	KCCZWFBWNLBZFN-UHFFFAOYSA-N	272.370	1.200	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)CCC(N)=O)cc1	906283714	XUPRUVSXZYGTGR-UHFFFAOYSA-N	277.368	1.415	10	20	CDCD	
COCC1(C(=O)NCc2ccc(O)cc2O)CC1	910949378	KWJDVXMMXNYRNV-UHFFFAOYSA-N	251.282	1.141	10	20	CDCD	
O=C(CSC(F)F)NCc1ccc(O)cc1O	910944462	MMDXAJHMTLGBCQ-UHFFFAOYSA-N	263.265	1.670	10	20	CDCD	
NC[C@H](NCc1ccc(N2CCOCC2)cc1)C1CC1	841029659	XYTFKQIIKCBVGK-INIZCTEOSA-N	275.396	1.350	10	20	CDCD	
C[C@](O)(CNC(=O)NCCc1ccc(N)cc1)C1CC1	841953553	AHVQAJSNTAXZFH-HNNXBMFYSA-N	277.368	1.272	10	20	CDCD	
CCN(CC)CCCNC(=O)C(=O)Nc1ccc(N)cc1	840999993	VDQLFHJBRGEHPP-UHFFFAOYSA-N	292.383	1.055	10	20	CDCD	
CCc1cccc(CN2C[C@H](O)C[C@@H]2COC)c1O	848919552	NBIWYNHPOWGXOS-ZIAGYGMSSA-N	265.353	1.536	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)CCNC2CC2)c1	848426972	RCIKAEUJPHOHTJ-JTQLQIEISA-N	278.352	1.720	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNC[C@@H](N)C2CC2)c1O	841052012	YCHDHKFHQRXAJN-SNVBAGLBSA-N	281.312	1.136	10	20	CDCD	
C[C@H]1CNC[C@@H](C)N1Cc1cc2c(cc1O)OCO2	843065043	IMLPYOVZMKMKHD-AOOOYVTPSA-N	264.325	1.303	10	20	CDCD	
CC(C)(C)n1nnc(COC(=O)c2cc(O)cs2)n1	848718229	KNRAFRWSWKPCKC-UHFFFAOYSA-N	282.325	1.552	10	20	CDCD	
Cc1ccc(C(=O)OCCC2(O)CCC2)c(O)c1O	840221899	VVRONMCHVOYHQU-UHFFFAOYSA-N	266.293	1.868	10	20	CDCD	
CC(C)(C)n1nnc(CNC(=O)Nc2ccc(N)cc2)n1	848593937	DDIIJCIBPBHRJZ-UHFFFAOYSA-N	289.343	1.332	10	20	CDCD	
CCN(C)C[C@@H](O)CN[C@@H](C)c1cc(OC)ccc1O	846843442	CMWMBOHDCOTSCW-RYUDHWBXSA-N	282.384	1.364	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCO[C@H]1CN	852882631	NFDODTPHKQMNAP-GJZGRUSLSA-N	291.395	1.075	10	20	CDCD	
COc1cc(CNCCO)c(O)c(C(C)(C)C)c1	850011423	SESNQYLWAHOTJR-UHFFFAOYSA-N	253.342	1.780	10	20	CDCD	
C[C@@H](O)[C@H]1CCCN1C(=O)NCc1ccc(N(C)C)cc1	853244538	NMCFJYCVMFSTIO-IUODEOHRSA-N	291.395	1.807	10	20	CDCD	
C[C@H](C(=O)N(C)Cc1ccccc1O)[C@H]1CCC(=O)N1	860049319	UKQLIBCKHKDGIJ-CMPLNLGQSA-N	276.336	1.265	10	20	CDCD	
CN(Cc1ccc(N(C)C)c(F)c1)Cc1nc[nH]n1	769459565	GLFLZTPGVDFRJM-UHFFFAOYSA-N	263.320	1.642	10	20	CDCD	
C[C@H](NS(=O)(=O)C1CC1)c1ccc(N(C)C)cc1	773082889	CAWISBKCRNBTDU-JTQLQIEISA-N	268.382	1.895	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NCc1cnc[nH]1	779519290	JTVJNKDVZVWESF-DUXPYHPUSA-N	259.265	1.151	10	20	CDCD	
Cc1ccc(NC(=O)C(=O)NCc2ccccc2O)cn1	770265179	JAUXHQWLBAZMRR-UHFFFAOYSA-N	285.303	1.351	10	20	CDCD	
OC[C@H](NCc1ccc(N2CCC(O)CC2)cc1)C1CC1	877044855	JJVNTKUPQKJANJ-KRWDZBQOSA-N	290.407	1.508	10	20	CDCD	
C[C@@H](CC(N)=O)NCc1cc(Cl)cc([N+](=O)[O-])c1O	776250385	IBYHKPNXUJEPMF-LURJTMIESA-N	287.703	1.307	10	20	CDCD	
CC[C@H](O)CNCc1ccc(OC)c(Cn2cccn2)c1	873126549	ABUJTCCIICQZOD-HNNXBMFYSA-N	289.379	1.801	10	20	CDCD	
CN1CCC[C@@H](OC(=O)c2cc(O)cs2)C1=O	778801797	AIWQAVQCUXHKAC-MRVPVSSYSA-N	255.295	1.231	10	20	CDCD	
CCO[C@@H](C)C(=O)NCCNCc1ccc(OC)c(C)c1	1123968812	RFPBOKFBQQNZIZ-ZDUSSCGKSA-N	294.395	1.634	10	20	CDCD	
Oc1c(F)cc(F)cc1CNC[C@@H](O)CN1CCCC1	882916685	UPTQNJZUVMTLKT-GFCCVEGCSA-N	286.322	1.217	10	20	CDCD	
C[C@@H](NC(=O)c1c(F)ccc(O)c1O)C(=O)NC(C)(C)C	789963812	RJNWPYRAOGHAOO-SSDOTTSWSA-N	298.314	1.270	10	20	CDCD	
COC(=O)[C@@H]1CCCN1Cc1cc(C)cc(OC)c1O	893918960	PSBQLZDDVQHVMH-LBPRGKRZSA-N	279.336	1.847	10	20	CDCD	
COc1ccc(CNC(=O)NCc2cn(C)cn2)c(O)c1	898623089	ZKYGVTNMCFLNSF-UHFFFAOYSA-N	290.323	1.134	10	20	CDCD	
COc1ccc(CNC(=O)[C@H]2CCCCO2)c(O)c1	794377969	OAKYMLXGBLDWCF-CYBMUJFWSA-N	265.309	1.586	10	20	CDCD	
N[C@@H]1CCC[C@H](NC(=O)N2Cc3cccc(O)c3C2)C1	892090330	VNTIFDXFCLBYBU-NEPJUHHUSA-N	275.352	1.687	10	20	CDCD	
COCCN1CC[C@H](NCc2cc(F)ccc2O)C1	272395335	JLJZEZZRZCNSGJ-ZDUSSCGKSA-N	268.332	1.342	10	20	CDCD	
CCc1cccc(CN2CCC(S(C)(=O)=O)CC2)c1O	692093563	QCHPAHPQUIBUAJ-UHFFFAOYSA-N	297.420	1.964	10	20	CDCD	
COc1cccc(O)c1CNC[C@@]1(O)CCO[C@@H]1C	788536533	PUEFYAHZRJNOHT-YGRLFVJLSA-N	267.325	1.030	10	20	CDCD	
CN1CCCC[C@H]1CNC(=O)NCc1ccc(N)cc1	1262602536	DXHQBBDYMVFBPV-AWEZNQCLSA-N	276.384	1.552	10	20	CDCD	
COc1ccc(O)c(CN(C)C[C@H]2CCCN2C)c1	211556369	NROJKVWGPIUTEL-CYBMUJFWSA-N	264.369	1.927	10	20	CDCD	
COC[C@@H](NCc1cc(C(C)C)ccc1O)C(=O)O	1606815264	UTTADTXMTHXGEQ-GFCCVEGCSA-N	267.325	1.705	10	20	CDCD	
C[C@@](NC(=O)c1cc(O)cs1)(C(=O)O)C1CC1	1604308319	QIWAAZXEODLMRA-NSHDSACASA-N	255.295	1.437	10	20	CDCD	
Nc1ccc(CC(=O)NC[C@H](CO)Cc2ccoc2)cc1	1580443285	VNJJHCSZVLQTQN-CQSZACIVSA-N	288.347	1.372	10	20	CDCD	
C[C@H](NCc1cn(C)nn1)c1cc(C(=O)O)ccc1O	1593312155	ZINDHSACXXNATQ-QMMMGPOBSA-N	276.296	1.070	10	20	CDCD	
COc1cc(C)c(CN2CC[C@@H](C(=O)O)C2)c(O)c1	1594054296	UYRYGAHYSZRIFJ-SNVBAGLBSA-N	265.309	1.616	10	20	CDCD	
CC[C@@H]1C(=O)NCCN1Cc1cc(OC)c(C)cc1O	160159119	KSULBVILDRFQQL-GFCCVEGCSA-N	278.352	1.420	10	20	CDCD	
Oc1cccc2c1[C@H](NCCO[C@@H]1CCOC1)CC2	927082684	HIVRVQIRHPKLMH-CHWSQXEVSA-N	263.337	1.775	10	20	CDCD	
Cc1cccc(O)c1CN(C)C[C@H]1COCCO1	877628383	HIZJTLFHLLNFMM-LBPRGKRZSA-N	251.326	1.548	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)c1cc[nH]c(=O)c1	136180058	AAQPXEXDJLDNQR-UHFFFAOYSA-N	258.277	1.353	10	20	CDCD	
Nc1ccc(CC(=O)NC[C@@H](O)c2ccccc2)cc1	35599015	BBSQFQUGESPZPY-OAHLLOKOSA-N	270.332	1.661	10	20	CDCD	
OCC1(CCNCc2cc(F)cc(F)c2O)CC1	708503067	NMJOQAHIKUVCFA-UHFFFAOYSA-N	257.280	1.923	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC[C@@H]2CCN2C)c1	712537516	ZRHPNNVVZXMBRC-MNOVXSKESA-N	250.342	1.756	10	20	CDCD	
CCN1CCN(c2ccc(CNC(C)=O)cc2F)CC1	106702795	OCGWJNUYSUPDMT-UHFFFAOYSA-N	279.359	1.604	10	20	CDCD	
COCCCC(=O)NCc1cccc(OC)c1O	105651363	JQAREHYTEKSDFI-UHFFFAOYSA-N	253.298	1.444	10	20	CDCD	
CN(C[C@@H]1CCOC1)C(=O)NCc1ccc(N(C)C)cc1	175153411	XHGYFUSEAKHVND-AWEZNQCLSA-N	291.395	1.931	10	20	CDCD	
CCN1CCN(Cc2ccc(OC)c(OC)c2O)CC1	22444504	QGRFQQUADWOXLY-UHFFFAOYSA-N	280.368	1.547	10	20	CDCD	
CCOCCNC(=O)CN[C@H](C)c1cc(OC)ccc1O	182414215	CSWNYLQKEGSMEU-LLVKDONJSA-N	296.367	1.204	10	20	CDCD	
COC(=O)[C@H]1[C@H](O)CCCN1Cc1cccc(C)c1O	188791081	IVAHTKZRHHRRHQ-CHWSQXEVSA-N	279.336	1.199	10	20	CDCD	
Cc1ccc([C@H](C)NCCCS(C)(=O)=O)c(O)c1	38047359	IQOSRQDXWPYXKE-NSHDSACASA-N	271.382	1.786	10	20	CDCD	
CCOCCONC(=O)N(C)Cc1ccccc1O	186005250	SUPPKFKARCZMBX-UHFFFAOYSA-N	268.313	1.502	10	20	CDCD	
CN(C)c1ccc(CN(C)S(=O)(=O)C2CC2)cc1	122744783	WKNZYRHSKSLTJI-UHFFFAOYSA-N	268.382	1.677	10	20	CDCD	
O=S1(=O)CCC[C@H]1CNCc1ccccc1O	126870217	HTTJJJZRMRTITE-NSHDSACASA-N	255.339	1.059	10	20	CDCD	
CC[C@H](O)CC(=O)N1CCOc2cc(N(C)C)ccc21	332734424	UBVDOUZJYRPAPA-LBPRGKRZSA-N	278.352	1.639	10	20	CDCD	
OCCCN(CCO)Cc1ccc(N2CCCCC2)cc1	93323803	AUGRMVLRVZLSDZ-UHFFFAOYSA-N	292.423	1.854	10	20	CDCD	
Cc1ccc(O)c(CN2CCCN(C(N)=O)CC2)c1	92754298	ZOWIPIGUESGCHM-UHFFFAOYSA-N	263.341	1.287	10	20	CDCD	
CN(C)c1ccc(CNc2nccn(C)c2=O)cc1F	266449693	XFCBQKBXLBGLLV-UHFFFAOYSA-N	276.315	1.598	10	20	CDCD	
C[C@@H](NCCCOCCO)c1cc([N+](=O)[O-])ccc1O	273437216	MEDFYTHSFZHMAU-SNVBAGLBSA-N	284.312	1.350	10	20	CDCD	
COc1ccc(O)c(CNCC2(N3CCOCC3)CC2)c1	278366639	KFHSHOXFAJXDDS-UHFFFAOYSA-N	292.379	1.355	10	20	CDCD	
O=C(NCC1(c2ccccn2)CC1)c1cccc(O)c1O	802576546	VKPSJLPEFUSGTH-UHFFFAOYSA-N	284.315	1.954	10	20	CDCD	
COc1ccc(CNC(=O)N[C@H]2CSC[C@@H]2C)c(O)c1	805790498	AMPNXZGISOQQQL-CABZTGNLSA-N	296.392	1.952	10	20	CDCD	
CCNC(=O)[C@@H](NC(=O)NCc1ccccc1O)C(C)C	292863454	SDWGXVZJFQEQTK-ZDUSSCGKSA-N	293.367	1.352	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CC[C@@H](O)C12CCCC2	294132062	KXYRCWBOMZNTER-GFCCVEGCSA-N	277.320	1.617	10	20	CDCD	
CC[C@@H](NCc1ccc(N(C)C)c(F)c1)C(=O)O	818316602	AAPWDYPQONSDTB-LLVKDONJSA-N	254.305	1.845	10	20	CDCD	
CCn1ccnc1C(=O)NCc1cc(OC)ccc1O	813489073	NHBCDYQYEZBMSO-UHFFFAOYSA-N	275.308	1.547	10	20	CDCD	
COC(=O)[C@@H]1C[C@@H]1C(=O)N[C@H](C)c1ccccc1O	827930155	DJXZWCRLQCJJJB-DVVUODLYSA-N	263.293	1.379	10	20	CDCD	
O=C(O)[C@@H]1CCN(Cc2cccc(Cl)c2O)C1	821511785	RFMJAPQDBBGUAG-SECBINFHSA-N	255.701	1.952	10	20	CDCD	
O=C(NCCCSc1nccs1)[C@@H]1COCCO1	733974327	MVQJVMLSAIXDEN-VIFPVBQESA-N	288.394	1.157	10	20	CDCD	
CC(C)n1ccc(CC(=O)NCc2ccc(N)cc2)n1	906628226	RJZFSRFEVWOSHM-UHFFFAOYSA-N	272.352	1.905	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H](C)C[C@@H](C)N	831132638	FRSHOQCMDHBMNG-OLZOCXBDSA-N	292.427	1.986	10	20	CDCD	
COc1ccc(CNC(=O)CC[C@@H]2CCNC2)c(O)c1	832178610	UBUCCXFWDOTKGH-LLVKDONJSA-N	278.352	1.407	10	20	CDCD	
CNC(=O)NC(=O)CCN[C@H](C)c1ccc(N(C)C)cc1	839564504	VHZBFYRPDGPIGC-LLVKDONJSA-N	292.383	1.249	10	20	CDCD	
COc1cc(O)c(CN2CC[C@@](F)(C(=O)O)C2)cc1OC	833729096	PYBIAOYVHSVHIH-AWEZNQCLSA-N	299.298	1.408	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2nn(C)cc2C)c1	839652015	YCXHXLISQKGZJQ-SNVBAGLBSA-N	289.335	1.934	10	20	CDCD	
CCC[C@H](O)[C@H](CO)NCc1ccc(N(C)C)c(F)c1	842227179	RSLGWBPRTIPZRR-ZFWWWQNUSA-N	284.375	1.503	10	20	CDCD	
COc1ccc(CNC(=N)N2CCCCC2)c(O)c1	849025065	LYOORDBKLIYXKV-UHFFFAOYSA-N	263.341	1.911	10	20	CDCD	
COc1cccc(O)c1CN[C@H]1CCC[C@H](N)C1	841054794	HTZYACIBFMNSMP-QWRGUYRKSA-N	250.342	1.760	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN(C)[C@H](C)CN)c1O	843051146	FGRQGSIZNNGMSQ-MRVPVSSYSA-N	269.301	1.088	10	20	CDCD	
CCOc1cccc(CNCC2(N)CCC2)c1O	841049984	BARRWBOQSRMVLM-UHFFFAOYSA-N	250.342	1.762	10	20	CDCD	
Nc1ccc(CC(=O)N2C[C@@H]3CCC[C@@]3(N)C2)cc1	1328918093	IFHZPPQVANNTJO-SWLSCSKDSA-N	259.353	1.151	10	20	CDCD	
CNC(=O)[C@H]1CCC[C@@H]1NCc1c(O)cccc1OC	765794529	DBYUWEQVNRPQIZ-JQWIXIFHSA-N	278.352	1.405	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)C[C@H](C)OC	935947363	WDSCLAFNVJRWJD-JTQLQIEISA-N	272.341	1.919	10	20	CDCD	
C[C@@H](NCc1nnnn1CC1CC1)c1cc(F)ccc1O	769988185	NRDRCYZCOSXUFX-SECBINFHSA-N	291.330	1.779	10	20	CDCD	
CC(C)C1(O)CN(C(=O)/C=C/c2ccc(O)c(O)c2)C1	765597986	FUJWJLCBWJPLFF-GQCTYLIASA-N	277.320	1.340	10	20	CDCD	
COCCNC(=S)N[C@H](C)c1ccccc1O	865269261	GEPMEWDKVCDTAE-SECBINFHSA-N	254.355	1.564	10	20	CDCD	
CC(C)CN(C)Cc1cc2c(cc1O)OC[C@H]2O	768440315	QJVFBORTMHWPER-CYBMUJFWSA-N	251.326	1.906	10	20	CDCD	
C[C@H]1CN(C)[C@H](C)CN1C(=O)c1cc(O)cs1	768845957	LEUBKIZYJSGQEV-BDAKNGLRSA-N	254.355	1.618	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)[C@@H]1CCSC1	778916357	FPGIQFLPXQBUQW-SECBINFHSA-N	253.323	1.467	10	20	CDCD	
Nc1ccc(CC(=O)NC[C@H](CO)Cc2cccnc2)cc1	1118139437	IFZWXUJBDMOMAW-OAHLLOKOSA-N	299.374	1.174	10	20	CDCD	
CN(C(=O)[C@H]1CCc2cnn(C)c2C1)c1ccc(N)cc1	877076056	LQCNPYQYDBJFAH-NSHDSACASA-N	284.363	1.770	10	20	CDCD	
Cc1ccc(CNC[C@H]2CC[C@@H](C(=O)N(C)C)O2)c(O)c1	877129337	BTZYTCAVBHGEHR-HIFRSBDPSA-N	292.379	1.426	10	20	CDCD	
O=C(COC(=O)c1cccc(O)c1O)c1ccc[nH]1	776278457	AJPCCOPKDYADIJ-UHFFFAOYSA-N	261.233	1.466	10	20	CDCD	
C[C@H](NC(=O)c1ccc(=O)n(C)c1)c1ccc(N(C)C)cc1	773018893	JDNRPCPROLEARQ-LBPRGKRZSA-N	299.374	1.942	10	20	CDCD	
C[C@H]1OCC[C@H]1C(=O)OCC(=O)c1ccc(O)c(O)c1	784492784	HEFFLQQRAYLIPX-PSASIEDQSA-N	280.276	1.249	10	20	CDCD	
CC(C)CN(CCN(C)C)C(=O)NCc1ccc(N)cc1	1120591982	OAMNYIBMNOGGOC-UHFFFAOYSA-N	292.427	1.998	10	20	CDCD	
COc1ccc(O)c(CN2CC(N3CCCC3=O)C2)c1	897784722	ZPYPDIGGHQRUBL-UHFFFAOYSA-N	276.336	1.207	10	20	CDCD	
O=C(NCCOC(F)(F)F)NCc1ccccc1O	788764869	GFONLLFBTYTBBJ-UHFFFAOYSA-N	278.230	1.728	10	20	CDCD	
O=C1CCCN1C1CN(Cc2cc(F)ccc2O)C1	897783940	MWNFSCBZDAEWSX-UHFFFAOYSA-N	264.300	1.338	10	20	CDCD	
Cc1ccc(C(=O)N(C)Cc2cn[nH]c2)c(O)c1O	780944628	WXFWGLMZKAYULP-UHFFFAOYSA-N	261.281	1.402	10	20	CDCD	
COc1cc(C)cc(CN2CCCN(C(C)=O)CC2)c1O	893914713	MAEXPEPCAWMBFD-UHFFFAOYSA-N	292.379	1.763	10	20	CDCD	
c1csc(SCc2nnc3n2CCOC3)n1	797806924	WUKPSMLMTXNZKC-UHFFFAOYSA-N	254.340	1.557	10	20	CDCD	
COc1ccc(CNC(=O)C2CCOCC2)c(O)c1	794369227	FQNWSWOKJKOLKI-UHFFFAOYSA-N	265.309	1.444	10	20	CDCD	
COC(=O)N(C)CCNCc1ccc(OC)c(C)c1	689587412	OPHIONAZCBOEGR-UHFFFAOYSA-N	266.341	1.791	10	20	CDCD	
CCCOc1ccc(CN[C@H](C(=O)O)[C@@H](C)O)cc1C	1334087635	JQXZKLHLRMBAJT-RISCZKNCSA-N	281.352	1.707	10	20	CDCD	
CC[C@@H](F)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	1346977405	YLELPBFZDOCBJT-PSASIEDQSA-N	255.289	1.893	10	20	CDCD	
CC[C@H]1CN(C(=O)NCc2ccc(N)cc2)CCO1	1357790671	FVJZSVGWSQDVLQ-ZDUSSCGKSA-N	263.341	1.589	10	20	CDCD	
C[C@@H]1O[C@H](C)[C@H](C(=O)NCc2cccc(O)c2O)[C@@H]1C	1520508643	IGDBAXDHJLRARS-BSTOTGJRSA-N	279.336	1.774	10	20	CDCD	
CC(C)(CNC(=O)c1c(F)ccc(O)c1O)C(=O)O	1609676280	AJOZTOHDVIKCFM-UHFFFAOYSA-N	271.244	1.078	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N[C@H](CC1CC1)C(=O)O	1601239280	WFYPSEUWOFWKST-VLWUPBBWSA-N	291.303	1.481	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNC(C)(C)CC(=O)O)c1O	1610278523	OYVYQDWIRPGLLZ-UHFFFAOYSA-N	298.295	1.652	10	20	CDCD	
C[C@@H](CN)N(C)C(=O)c1ccc(N=NC(N)=O)cc1	1576006127	QUPHMDPSMQKWRK-QMMMGPOBSA-N	263.301	1.268	10	20	CDCD	
C[C@@H]1CN(Cc2ccc(F)c(F)c2O)C[C@@H](C(=O)O)O1	1599866775	SJSGYSIQZBCMFN-XCBNKYQSSA-N	287.262	1.344	10	20	CDCD	
CC[C@@H](C)[C@H](OC(=O)c1cccc(O)c1O)C(=O)O	1594926015	GOPSNSQUXCFHLW-HQJQHLMTSA-N	268.265	1.754	10	20	CDCD	
COc1ccc(N2CCN(CCCO)CC2)cc1	19785897	UGDTVTGAQKFKAU-UHFFFAOYSA-N	250.342	1.200	10	20	CDCD	
CN(Cc1ccncc1)C(=O)c1cccc(O)c1O	126261090	GLFSLGUMCSBTDK-UHFFFAOYSA-N	258.277	1.765	10	20	CDCD	
O=C1NCCC[C@H]1CNCc1c(O)cccc1Cl	839196607	WIRKUPDNMJQOHU-VIFPVBQESA-N	268.744	1.661	10	20	CDCD	
COc1cccc(O)c1CN1CCC([C@H](C)N)CC1	843052898	OHVWSEZEMLZPIG-NSHDSACASA-N	264.369	1.960	10	20	CDCD	
Cc1cccc(O)c1CN1CCN2C(=O)CC[C@@H]2C1	876655076	VMXMMJCIFGOEHG-GFCCVEGCSA-N	260.337	1.507	10	20	CDCD	
CN1CC=C(CNC(=O)c2cccc(O)c2O)CC1	279797742	JHUCJLQJRPJZFX-UHFFFAOYSA-N	262.309	1.090	10	20	CDCD	
Cc1ccc(O)c(CNC[C@]2(O)CCSC2)c1	176750791	PSFYSYVPQHFIPV-CYBMUJFWSA-N	253.367	1.658	10	20	CDCD	
CC[C@@H](NCC(=O)NCC1CC1)c1ccccc1O	183330107	GVVINHOHRMFQBU-CYBMUJFWSA-N	262.353	1.959	10	20	CDCD	
COCCN(C)CCNCc1cc(OC)ccc1O	61375916	FGERIHQPNYSTKO-UHFFFAOYSA-N	268.357	1.069	10	20	CDCD	
C[C@H](NCCCCS(C)(=O)=O)c1ccccc1O	692804072	UULYNDBLUUICDR-NSHDSACASA-N	271.382	1.868	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NCc2nc(O)n[nH]2)c1	392476895	YLDITQGVRARVNL-SSDOTTSWSA-N	264.285	1.075	10	20	CDCD	
O=C(NCc1ccc(N2CCCC2)cc1)c1cc[nH]c(=O)c1	177886530	OMNPEVXXNYXWLC-UHFFFAOYSA-N	297.358	1.905	10	20	CDCD	
CCO[C@@H]1C[C@@H]1C(=O)NCc1cccc(OC)c1O	171487136	QWLFEIMBBAHBGQ-CMPLNLGQSA-N	265.309	1.442	10	20	CDCD	
C[C@@H]1CO[C@H](CO)CN1Cc1cccc(Cl)c1O	305758319	BCERCWCVIICRRN-KOLCDFICSA-N	271.744	1.627	10	20	CDCD	
O=C(O)[C@@H]1C[C@H](O)CN1Cc1cc(Cl)ccc1O	1601773196	QENIDQOFZZPPMF-UWVGGRQHSA-N	271.700	1.065	10	20	CDCD	
O=C(CC[C@H]1CCOC1)NCCc1ccc(O)c(O)c1	122093024	GLDBEJYKEFPNCV-LBPRGKRZSA-N	279.336	1.573	10	20	CDCD	
C[C@@H](C[S@](C)=O)NC(=O)NCc1ccc(N(C)C)cc1	182417427	ZQJJCNSAWUAQJS-YBTHPKLGSA-N	297.424	1.319	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)C2(O)CCC2)c1	184979958	XLTZCACSLLWJAI-SECBINFHSA-N	265.309	1.493	10	20	CDCD	
CCCN(CC(=O)OC)C(=O)c1cccc(O)c1O	126341796	QLAJZFTZJJUNMZ-UHFFFAOYSA-N	267.281	1.123	10	20	CDCD	
C[C@H](O)C[C@@H]1CCCN1C(=O)/C=C/c1ccc(O)c(O)c1	181254334	DHQXSALNOYXBQU-FXOGGVSJSA-N	291.347	1.873	10	20	CDCD	
Cc1cc(C(=O)NC[C@H](C)N)c(C)n1-c1ccccn1	194932810	OCXOGMPEOFTCRI-JTQLQIEISA-N	272.352	1.566	10	20	CDCD	
CCCOc1ccc(CN2CCNC(=O)C2(C)C)c(O)c1	93084769	OWTCOYYSISAEMP-UHFFFAOYSA-N	292.379	1.891	10	20	CDCD	
COc1ccc(O)c(CNC[C@H](OC)C2CC2)c1	293547326	DOLZJKPHIJIXOW-AWEZNQCLSA-N	251.326	1.915	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CCCS(C)(=O)=O)cc1	264743013	MYHJUKOJECYZJL-UHFFFAOYSA-N	298.408	1.194	10	20	CDCD	
Nc1ccc(CC(=O)N[C@@H]2CCCc3cn[nH]c32)cc1	262613685	CFDCDZHNJSSBQU-CYBMUJFWSA-N	270.336	1.728	10	20	CDCD	
Cc1nn(C)c(C)c1C(=O)NCc1ccc(O)c(O)c1	269096370	MZAZZQFYKBLIAX-UHFFFAOYSA-N	275.308	1.378	10	20	CDCD	
CN(Cc1ccccc1O)Cc1ncnn1CC(F)F	278506953	MGNFLUIVCARSQY-UHFFFAOYSA-N	282.294	1.881	10	20	CDCD	
CNC(=O)[C@@H]1CCCCN1Cc1ccc(N(C)C)c(F)c1	271096698	ZJDUFIKIIWMMBR-HNNXBMFYSA-N	293.386	1.992	10	20	CDCD	
C[C@H](NC[C@H]1CCOC1)c1cc([N+](=O)[O-])ccc1O	273302226	BPIIGPYEOCGTPL-VHSXEESVSA-N	266.297	1.988	10	20	CDCD	
C[C@H]1[C@H](N2CCCC2)CCN1C(=O)c1cccc(O)c1O	376412181	HDLJYKARIUZIBJ-WCQYABFASA-N	290.363	1.797	10	20	CDCD	
Cn1ccc(/C=C/C(=O)N2CCCc3n[nH]cc32)c1	280189951	UKIUAEPXUDSWTO-SNAWJCMRSA-N	256.309	1.741	10	20	CDCD	
CCOc1ccc(O)c(CN2C[C@H](O)C(C)(C)C2)c1	280562086	VABMWFLWWSLMPB-AWEZNQCLSA-N	265.353	1.994	10	20	CDCD	
C[C@H](N[C@@H](C)c1ccc(F)cc1O)C(=O)NCCF	282654682	IFXDALHFIBMKPR-IUCAKERBSA-N	272.295	1.656	10	20	CDCD	
Cc1c(/C=C/C(=O)N2CCCc3n[nH]cc32)cnn1C	280073144	JSKYJTZJOYSDAJ-AATRIKPKSA-N	271.324	1.444	10	20	CDCD	
CC(=O)C(=O)COC(=O)COc1ccc(Cl)cc1C	808487906	KTMFBAJNJQEHFE-UHFFFAOYSA-N	284.695	1.729	10	20	CDCD	
CCN(Cc1cc2c(cc1O)OC[C@@H]2O)C[C@H](C)OC	812304515	XEOOXXDQBHSILJ-HZMBPMFUSA-N	281.352	1.675	10	20	CDCD	
COCCNCCN[C@@H](C)c1ccc(C)cc1O	817964980	LVLNCPSRCCGVHG-LBPRGKRZSA-N	252.358	1.587	10	20	CDCD	
C[C@H]1C[C@@H](CO)CN(C(=O)c2c(F)ccc(O)c2O)C1	817766808	RQFVGKJGIBVDTB-DTWKUNHWSA-N	283.299	1.327	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)NC[C@@H](N)C(C)C)c1	817958426	JMQJQNYXACZMDN-ZWNOBZJWSA-N	280.368	1.813	10	20	CDCD	
Cc1ccc2c(c1)/C(=C/c1cnnn1C)C(=O)N2C	811700709	PYBBBXPHZLUBDN-GHXNOFRVSA-N	254.293	1.641	10	20	CDCD	
O=C(NCc1ccccc1O)c1ccccc1-n1cnnn1	728211066	QXOUXJVUTQUJIR-UHFFFAOYSA-N	295.302	1.298	10	20	CDCD	
CN1CC[C@H](C(=O)NCc2ccc3c(c2)CCCN3C)C1	729285051	STZDYXBJWSZDRH-HNNXBMFYSA-N	287.407	1.637	10	20	CDCD	
COC[C@@H](OC)C(=O)NCc1ccc(N2CCCC2)cc1	821843152	PQRVGMYXPIWEQJ-OAHLLOKOSA-N	292.379	1.564	10	20	CDCD	
Cn1nc(C2CC2)nc1COC(=O)c1cc(O)cs1	828841718	DWCLIJQWFJCSFE-UHFFFAOYSA-N	279.321	1.817	10	20	CDCD	
Cc1cc(O)c(CN2CCC(O)(CO)CC2)cc1C	827146889	KOZJAUZYPFACLG-UHFFFAOYSA-N	265.353	1.328	10	20	CDCD	
COC(=O)c1cnc(SCCCCC(N)=O)s1	829684496	QNAVJCHUGSBQSC-UHFFFAOYSA-N	274.367	1.677	10	20	CDCD	
CN1CCCc2cc(CNC(=O)[C@@H]3C[C@@H]3N)ccc21	827913868	QMLLYEJJQVJIHW-OLZOCXBDSA-N	259.353	1.032	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)[C@H]1C[C@H]1C(=O)O	737021584	XSIZCTRGAOBRKY-NWDGAFQWSA-N	277.320	1.852	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)NC[C@H](O)C2CCC2)c1	834905080	FHAPRVBMONIRJP-BMIGLBTASA-N	293.363	1.990	10	20	CDCD	
CCCCn1nnnc1COC(=O)c1cc(O)cs1	731911937	NZXZJVQLDQXCBF-UHFFFAOYSA-N	282.325	1.597	10	20	CDCD	
C[C@H]1CN(CCCNC(=O)c2cc(O)cs2)C[C@@H](C)O1	731867710	QPFHIVFOMXEXCM-PHIMTYICSA-N	298.408	1.683	10	20	CDCD	
COc1cccc(CNC(=O)c2cnc(C)[nH]2)c1O	732283913	HGCLYDLMBTYAFQ-UHFFFAOYSA-N	261.281	1.362	10	20	CDCD	
Oc1cccc2c1[C@@H](NCCNc1cnccn1)CC2	834625239	WEQKBGRMTRATAM-LBPRGKRZSA-N	270.336	1.871	10	20	CDCD	
COC(=O)NCCc1nc(Cc2ccc(N)cc2)no1	843158694	HBWSYXFWJFACFI-UHFFFAOYSA-N	276.296	1.141	10	20	CDCD	
COc1cccc([C@H](C)NC[C@@]2(O)CCN(C)C2)c1O	846166669	ZLBIPFJYUNHNGO-NHYWBVRUSA-N	280.368	1.118	10	20	CDCD	
COCCOC[C@@H](C)NC(=O)N(C)Cc1ccccc1O	745863045	BAKZMUGFBHHBHI-GFCCVEGCSA-N	296.367	1.585	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)COC[C@@H]1CCCO1	746393380	GOSZTWBIIVJCPE-ZDUSSCGKSA-N	279.336	1.546	10	20	CDCD	
Cc1nc(C(=O)NCc2cc(Cl)ccc2O)n(C)n1	844775820	DCJNDIAOBSMGCO-UHFFFAOYSA-N	280.715	1.413	10	20	CDCD	
CNC1(C(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)CCC1	911667764	SETABFNIBGBQDB-CQSZACIVSA-N	290.411	1.011	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CCO[C@H]([C@H](C)N)C2)c1O	843355823	KAIJUPWUNOOGLS-XPTSAGLGSA-N	296.342	1.282	10	20	CDCD	
Cc1noc(C)c1CNC(=O)NCCc1ccc(N)cc1	841738516	OSTIFNSVIFYZQL-UHFFFAOYSA-N	288.351	1.916	10	20	CDCD	
CC[C@H](N)CNCc1ccc(N2CCOCC2)c(F)c1	841073419	WYDABHJARWYIDV-ZDUSSCGKSA-N	281.375	1.489	10	20	CDCD	
Nc1ccc(NC(=O)C(=O)N2CCCC(F)(F)C2)cc1	846322459	LTUGYPQZGCERHY-UHFFFAOYSA-N	283.278	1.465	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2C[C@@H]3CNC[C@@H]3C2)c1O	750816966	FVKSLYGDLMPPFW-TXEJJXNPSA-N	278.327	1.385	10	20	CDCD	
C[C@@H](CC(N)=O)NCc1ccc(N2CCC(O)CC2)cc1	850567130	XCIFSLQHYOBUAH-LBPRGKRZSA-N	291.395	1.001	10	20	CDCD	
COC(=O)[C@@H]1CCN(C(=O)Nc2ccc(N)cc2)C[C@@H]1C	850750472	LAKWVSWXNAIEHZ-GXFFZTMASA-N	291.351	1.932	10	20	CDCD	
CCC(F)(F)C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1	852791609	KOVRZGZXLFERPA-GFCCVEGCSA-N	285.338	1.914	10	20	CDCD	
CN(C)c1ccc(CN2CC[C@H](N3CCOC3=O)C2)cc1	852437800	HYKISHVRXPLAKJ-HNNXBMFYSA-N	289.379	1.779	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H](O)C1CC1	935946053	VQGDNPDNIPPQHN-GFCCVEGCSA-N	270.325	1.265	10	20	CDCD	
CC[C@H]1COCCN1Cc1cc2c(cc1O)OC[C@@H]2O	768444990	DWWRVTICNCFLJY-FZMZJTMJSA-N	279.336	1.429	10	20	CDCD	
CN(Cc1cn[nH]c1)Cc1cc2c(cc1O)OCO2	769427400	YOMWGUMGPNRAOQ-UHFFFAOYSA-N	261.281	1.476	10	20	CDCD	
CCOc1ccc(O)c(CN2CCO[C@H](C(=O)OC)C2)c1	769333922	WGDCPMFXIOYQIF-AWEZNQCLSA-N	295.335	1.165	10	20	CDCD	
C[C@@H](NCCOCCN(C)C)c1cc([N+](=O)[O-])ccc1O	774377102	PXVBRYZMOZTAPF-LLVKDONJSA-N	297.355	1.529	10	20	CDCD	
Cc1cccc(O)c1CN1CC[C@@H]2COC(=O)N[C@H]2C1	877607972	KTWMYANVABPFNR-YPMHNXCESA-N	276.336	1.631	10	20	CDCD	
CN1CCN(c2ccc(CN3CC[C@H](O)C3)cc2)CC1	775651092	XNKHIBCPOZTPPR-INIZCTEOSA-N	275.396	1.005	10	20	CDCD	
CC(C)[C@@H]1CN(Cc2cc3c(cc2O)OC[C@H]3O)CCO1	777966465	BKCRBAJMRBPTLF-ZBFHGGJFSA-N	293.363	1.675	10	20	CDCD	
Cc1nccn1CCOC(=O)c1cc(O)cs1	771957403	HSYQDTSOBSTJSK-UHFFFAOYSA-N	252.295	1.816	10	20	CDCD	
C[C@H]1C[C@@H](C(=O)NCc2ccc(N(C)C)c(F)c2)CO1	784077761	XWEQNGPUOUXLBP-CMPLNLGQSA-N	280.343	1.933	10	20	CDCD	
CC(C)(O)CCC(=O)NCCc1ccc(O)c(O)c1	787445540	NBVWTDHAZDVRLM-UHFFFAOYSA-N	267.325	1.308	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H](CO)CC2CC2)c(O)c1O	781016580	YSVOLLLKPBLXEB-SNVBAGLBSA-N	265.309	1.297	10	20	CDCD	
CCO[C@H]1C[C@@](O)(CNC(=O)c2cc(O)cs2)C1(C)C	789919038	QWQWBULKYOYJCW-SMDDNHRTSA-N	299.392	1.750	10	20	CDCD	
COc1ccc(CN[C@@H]2CO[C@H](C)C2)c(O)c1OC	895124276	NQTYGQKVKUOWKI-KOLCDFICSA-N	267.325	1.676	10	20	CDCD	
COc1ccc(CNC(=O)[C@H]2CCSC2)c(O)c1	794390786	RBIFJIGCETUBFE-JTQLQIEISA-N	267.350	1.770	10	20	CDCD	
CC[C@@H](C)[C@@H](OC)C(=O)NCc1ccc(O)c(O)c1	793691046	ZTNDJFPIDTZPQV-NOZJJQNGSA-N	267.325	1.775	10	20	CDCD	
CO[C@H]1CCC[C@@H]1CNC(=O)c1cccc(O)c1O	790916527	TVFCJOXPTJIWFZ-SKDRFNHKSA-N	265.309	1.643	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2cnnn2C)c1	798980068	CNRSKKXMJNPYLX-MRVPVSSYSA-N	276.296	1.020	10	20	CDCD	
CCc1cccc(CN(C)C[C@@H](C)C(=O)NC)c1O	692086076	KVWUZVXKOAFBHE-LLVKDONJSA-N	264.369	1.769	10	20	CDCD	
CNC[C@@H](C)CNCc1ccc(N2CCN(C)CC2)cc1	1326075706	KZFSJJPIZJFOMR-OAHLLOKOSA-N	290.455	1.384	10	20	CDCD	
NCCCCNC(=O)NCc1c(O)ccc2c1CCCC2	1327486765	NQVQWBSZFLONRF-UHFFFAOYSA-N	291.395	1.809	10	20	CDCD	
O=C(O)[C@@H](F)CNCc1ccc2c(c1)CCCO2	1335614644	CELFRFMMWBFTDW-NSHDSACASA-N	253.273	1.524	10	20	CDCD	
CC(C)OC(=O)COC(=O)c1cccc(O)c1O	1343666164	ZIPVJDDPDXHGQZ-UHFFFAOYSA-N	254.238	1.206	10	20	CDCD	
O=C(NCc1cccc(O)c1O)[C@@H]1CCc2nccn2C1	1520508747	LBNZKSZVVKTJRL-LLVKDONJSA-N	287.319	1.173	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N[C@H](C(=O)O)C1CC1	1601238146	GNUHGGNZADYXBF-NHEDYWLLSA-N	277.276	1.090	10	20	CDCD	
COc1ccc(O)c(CN[C@H](C(=O)O)c2ccn(C)n2)c1	1607277448	AKSPYKFRRBDWGA-ZDUSSCGKSA-N	291.307	1.050	10	20	CDCD	
CN1CCC[C@@H](CNCc2cc(F)ccc2O)C1	226608077	LCNHOSWJRLKLPS-NSHDSACASA-N	252.333	1.963	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCC(=O)O	1589079334	NWVYJXYDHMHOJV-QMMMGPOBSA-N	267.281	1.010	10	20	CDCD	
COc1cc(C)cc(CNC[C@H](C)C(=O)O)c1O	1594054411	FNTRQJIEIQBDHL-VIFPVBQESA-N	253.298	1.520	10	20	CDCD	
COC(=O)C[C@H](CC(=O)O)NCc1ccc2c(c1)CCO2	1777108037	KMEJUOXIQYHXEX-LBPRGKRZSA-N	293.319	1.118	10	20	CDCD	
CCCC[C@@H](NCc1ccc2c(c1)CCO2)[C@@H](O)C(=O)O	1776774889	RQHBLYLHZUSXAM-UKRRQHHQSA-N	293.363	1.715	10	20	CDCD	
CCOCCNC(=O)NCCCSc1nccs1	152012022	AIRXOHSRJIHABU-UHFFFAOYSA-N	289.426	1.961	10	20	CDCD	
C[C@H](NCc1ccc(N(C)C)cc1)[C@H](C)C(=O)O	846228280	LPBUCOVKKUQKOZ-QWRGUYRKSA-N	250.342	1.951	10	20	CDCD	
C[C@H](CC(N)=O)NCc1ccc(N2CCCC2)cc1	135712511	ASTXAFRMCOQHMO-GFCCVEGCSA-N	261.369	1.640	10	20	CDCD	
CC(C)[C@@H]1CN(C(=O)c2cccc(O)c2O)CCCO1	294371712	KZSYVMUQMFSHRR-ZDUSSCGKSA-N	279.336	1.985	10	20	CDCD	
CC[C@H](C)C[C@@H](NC(=O)Cc1ccc(N)cc1)C(=O)O	400408823	XGUGQUVNEKQLNC-GXFFZTMASA-N	278.352	1.817	10	20	CDCD	
CC(C)NC(=O)CN[C@H](C)c1ccc(F)cc1O	62745919	CIQHYHBVIOPWDM-SECBINFHSA-N	254.305	1.707	10	20	CDCD	
C/C=C/C[C@H](CO)NCc1cc(OC)ccc1O	186530707	CFPPDKRRGKLTRJ-AAOUONPWSA-N	251.326	1.818	10	20	CDCD	
CC[C@@H](C(=O)NCCc1ccc(O)c(O)c1)N(C)C	122780490	DGHXBTNMUPXUOE-NSHDSACASA-N	266.341	1.097	10	20	CDCD	
Cc1ccc(C(=O)NC[C@H]2CCC[C@H](O)C2)c(O)c1O	182496870	UYTXDCGQYAZLAD-QWRGUYRKSA-N	279.336	1.687	10	20	CDCD	
Oc1cc2c(cc1CN1CCC3(CCO3)CC1)OCO2	367253545	ULQULKXKLAKOMY-UHFFFAOYSA-N	277.320	1.876	10	20	CDCD	
NCC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	370777704	ALEXPCSGHLIQKJ-UHFFFAOYSA-N	299.321	1.332	10	20	CDCD	
Cn1nncc1COc1ccc(N2CCCC2)cc1	289410326	PGHNPGWCXAIRBD-UHFFFAOYSA-N	258.325	1.994	10	20	CDCD	
CS(=O)(=O)CC1(CN[C@H]2CCc3cccc(O)c32)CC1	297028370	URAFBGSDKOSPEI-LBPRGKRZSA-N	295.404	1.794	10	20	CDCD	
Cc1ccc(C(=O)N2CCOCC23CC3)c(O)c1O	802296134	BKACGNNSHHEZGW-UHFFFAOYSA-N	263.293	1.411	10	20	CDCD	
COc1ccc(O)c(CN2CC[C@H](CO)C[C@@H]2C)c1	290217278	RGKHIZBJFVOCAU-RYUDHWBXSA-N	265.353	1.994	10	20	CDCD	
COc1cc(O)c(CNC[C@H](C)CCCO)cc1OC	294673140	BANKEVMDARHYSO-LLVKDONJSA-N	283.368	1.908	10	20	CDCD	
CN1CCN(Cc2ccc3ccccc3c2O)CC1=O	816513409	PQRCVIAIFYZUKX-UHFFFAOYSA-N	270.332	1.819	10	20	CDCD	
C[C@@H](NC[C@@H](N)c1ccc(N(C)C)cc1)c1ncc[nH]1	817941844	LCKYBLWHGQPJNW-BXUZGUMPSA-N	273.384	1.826	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCO[C@H]2C[C@H]21	813647715	XSIXRAOTXSHYFA-CABCVRRESA-N	289.379	1.744	10	20	CDCD	
C[C@H](CC(=O)O)C(=O)NCc1c(O)ccc2c1CCCC2	827296883	WEIVDQUYKAOFKU-SNVBAGLBSA-N	291.347	1.998	10	20	CDCD	
COC[C@H](NCc1ccc(N2CCCCC2)cc1)C(=O)O	901478077	NGXYTKUAFKYNRB-HNNXBMFYSA-N	292.379	1.866	10	20	CDCD	
C[C@@H](NC(=O)[C@H]1CCN(C)C1=O)c1ccccc1O	827941437	RWBZTUQLJPKOCV-MWLCHTKSSA-N	262.309	1.048	10	20	CDCD	
O=[N+]([O-])CCNCc1ccc(N2CCSCC2)cc1	905052707	ULOJTUJSXZSBOW-UHFFFAOYSA-N	281.381	1.606	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H](C)C(=O)OC(C)C)c(O)c1O	837027498	KSQCACPYQCOXCB-VIFPVBQESA-N	281.308	1.476	10	20	CDCD	
NC(=O)CC[C@@H]1CCCN(C(=O)c2cc(O)cs2)C1	732284515	UVIRHIRPBUIZME-VIFPVBQESA-N	282.365	1.571	10	20	CDCD	
Nc1ccc(NC(=O)C2=NOC3(CCNCC3)C2)cc1	911659818	DZWISTWBDDCPEI-UHFFFAOYSA-N	274.324	1.106	10	20	CDCD	
COc1ccc(N2CCN(C(=O)C[C@@H](C)N)CC2)cc1F	831143261	MDHDSACVHRMCEE-LLVKDONJSA-N	295.358	1.220	10	20	CDCD	
CC[C@@H](C)OCC(=O)N(CC(=O)O)Cc1ccccc1O	911494166	QZHIOTIXZTXSKK-LLVKDONJSA-N	295.335	1.621	10	20	CDCD	
CCc1cccc(CN2CCOC[C@]23CCOC3)c1O	848908819	FAYVPEJXBWPJQW-MRXNPFEDSA-N	277.364	1.946	10	20	CDCD	
NC[C@H]1CN(Cc2c(O)ccc(Cl)c2F)CCO1	843065787	PPADHISGXZOORY-QMMMGPOBSA-N	274.723	1.344	10	20	CDCD	
COc1ccc(CNC(=O)[C@H](C(=O)O)C(C)C)c(O)c1	843332006	IBVDCSBGQUYEQS-GFCCVEGCSA-N	281.308	1.374	10	20	CDCD	
COc1cccc([C@@H](C)N[C@@H]2CCCCNC2=O)c1O	846139533	UVMMOBUQUBIDNN-ZYHUDNBSSA-N	278.352	1.720	10	20	CDCD	
C[C@H](CN)NC(=O)NCc1cc(Cl)cc(Cl)c1O	841970622	CQGLLMPOTHHYBC-ZCFIWIBFSA-N	292.166	1.845	10	20	CDCD	
C[C@H](COCC1CC1)NC(=O)Cc1ccc(N)cc1	846695516	DICLVFHQQNEZBY-LLVKDONJSA-N	262.353	1.743	10	20	CDCD	
C[C@H](NC[C@@H]1CCCNC1=O)c1cc([N+](=O)[O-])ccc1O	840825221	DECNYYUAVNDBLP-UWVGGRQHSA-N	293.323	1.477	10	20	CDCD	
C[C@@H](NC[C@@H](O)Cn1ccnn1)c1ccc(N(C)C)cc1	840808869	YBODVUQQMLKTEP-IUODEOHRSA-N	289.383	1.056	10	20	CDCD	
CN(C)c1ccc(CNCc2cnc3n2CCOC3)cc1	921496113	NQPUUQXXLJQFTM-UHFFFAOYSA-N	286.379	1.769	10	20	CDCD	
CCN(C)c1ccc(CN(C)C[C@H]2COCCO2)cc1	852496202	PYFGQVLSXJEOGL-INIZCTEOSA-N	278.396	1.990	10	20	CDCD	
CN1CC[C@@H]1CNC(=O)NCc1cc(Cl)ccc1O	925431606	XSTKOBYVXJVCOO-LLVKDONJSA-N	283.759	1.549	10	20	CDCD	
CC(=O)N1CC[C@@H](NC(=O)NCc2cc(C)ccc2O)C1	858629264	ZHIMCTSLUIGLND-CYBMUJFWSA-N	291.351	1.121	10	20	CDCD	
CO[C@@H](C)[C@@H](C)NC(=O)NCc1cc(C)ccc1O	858469198	NXACLJJHJBDBSF-MNOVXSKESA-N	266.341	1.923	10	20	CDCD	
C[C@H](NC[C@@]1(O)CCSC1)c1cc([N+](=O)[O-])ccc1O	756637572	NUUDHXWOPSETQM-ZANVPECISA-N	298.364	1.819	10	20	CDCD	
CC(C)NC(=O)CN(C)Cc1cc(F)c(N(C)C)cc1F	862214272	MDDJKDPUQNFFLE-UHFFFAOYSA-N	299.365	1.987	10	20	CDCD	
CCNC(=O)CN(C)Cc1ccc(N(C)C)c(F)c1	768917132	ZZGGQQWFWWAVAD-UHFFFAOYSA-N	267.348	1.460	10	20	CDCD	
C[C@H](NCC(=O)N(C)C)c1ccc(N2CCOCC2)cc1	775258371	YTVMBCRRNUEVED-ZDUSSCGKSA-N	291.395	1.262	10	20	CDCD	
COC(=O)CC1(NCc2ccc(C)cc2O)CCOCC1	877158047	ZOHNSWUJPBKURS-UHFFFAOYSA-N	293.363	1.903	10	20	CDCD	
C[C@@H](CCO)NCc1ccc(N2CCC(O)CC2)c(F)c1	779389508	BJSFFICVIYAJFN-LBPRGKRZSA-N	296.386	1.647	10	20	CDCD	
Cc1nnc([C@H](C)OC(=O)c2cccc(O)c2O)o1	776278646	CODXEOOZVPQHQR-LURJTMIESA-N	264.237	1.707	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2C[C@@H](O)C[C@@H]2C)c1O	775103448	XZMIYRPTVSLQHY-WPRPVWTQSA-N	282.296	1.264	10	20	CDCD	
CCOc1ccc(CN2CC[C@H](C)[C@@H]2CO)c(O)c1	785985293	UMKCOFSLEHVOLA-FZMZJTMJSA-N	265.353	1.994	10	20	CDCD	
Nc1ccc(CNC(=O)NCCC[C@H]2CCOC2)cc1	1120623452	IRVVUAHYHRJQRY-ZDUSSCGKSA-N	277.368	1.885	10	20	CDCD	
COc1cc(C)cc(CNCc2nonc2C)c1O	894770697	PAKXUNAFKXDFOT-UHFFFAOYSA-N	263.297	1.690	10	20	CDCD	
COc1ccc(CN(C)CCCO)c(O)c1OC	894254095	DTWMLOKXJGNAQC-UHFFFAOYSA-N	255.314	1.224	10	20	CDCD	
C[C@H](NC(=O)N1C[C@@H](N)C[C@H]1C)c1ccc(N(C)C)cc1	891812322	AFSZIWVVWJVFQJ-DYEKYZERSA-N	290.411	1.945	10	20	CDCD	
CC(=O)N1C[C@@H]2CN(Cc3ccc(C)cc3O)C[C@@H]2C1	895574911	AKPOCHVLCWJHRJ-GASCZTMLSA-N	274.364	1.611	10	20	CDCD	
COc1ccc(CNCCC[C@H](C)O)c(O)c1OC	894108021	OZYCBPMFAZTDCQ-JTQLQIEISA-N	269.341	1.660	10	20	CDCD	
CO[C@@H]1CCOC[C@H]1NC(=O)NCc1cc(C)ccc1O	898077204	RAESKNGAKSKVSV-TZMCWYRMSA-N	294.351	1.304	10	20	CDCD	
CCN(CCC(=O)NC)Cc1ccc(C)cc1O	897709697	RKVGBKIOZSUUJO-UHFFFAOYSA-N	250.342	1.659	10	20	CDCD	
O=C(Nc1ccc2nn[nH]c2c1)c1c(F)ccc(O)c1O	790071287	UMXNFGCTYLZZMA-UHFFFAOYSA-N	288.238	1.761	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)c2n[nH]cc2C)c1	799697985	MXYCQXALPHZKGY-VIFPVBQESA-N	275.308	1.923	10	20	CDCD	
COCCO[C@H]1CCN(Cc2ccccc2O)C1	188825987	MDZLIVOWKDLYED-ZDUSSCGKSA-N	251.326	1.630	10	20	CDCD	
Cc1ccc(O)c(CNC[C@H](C)S(C)(=O)=O)c1	697620678	NJEZFIIQALVHIV-JTQLQIEISA-N	257.355	1.223	10	20	CDCD	
CN[C@@H](C)CCNCc1ccc(N2CCOCC2)c(F)c1	1325269479	YHMDKZPTEWCTQG-ZDUSSCGKSA-N	295.402	1.750	10	20	CDCD	
NC(=O)NCCCCC(=O)Nc1ccc(N)cc1	1332156635	JXGNEGHZEUWVNZ-UHFFFAOYSA-N	250.302	1.046	10	20	CDCD	
COC(=O)[C@@H](NCc1cc(Cl)c(C)cc1O)[C@@H](C)O	1350337365	AYYOWTYSTTZOEV-PELKAZGASA-N	287.743	1.366	10	20	CDCD	
O=C(O)c1cnc(SCC[C@@H]2CCOC2=O)s1	1602537555	VDVUSKQWZRGYEM-LURJTMIESA-N	273.335	1.887	10	20	CDCD	
Cc1cc(O)c(CN2CCO[C@H](C(=O)O)C2)cc1Cl	1607698557	AONVGUBNJINXLE-LBPRGKRZSA-N	285.727	1.639	10	20	CDCD	
O=C(CCOCC(F)(F)F)NCc1ccccc1O	225107298	SPPGAJPRDXDDBX-UHFFFAOYSA-N	277.242	1.977	10	20	CDCD	
C[C@@H](CN[C@H](C)c1cccc(-c2nn[nH]n2)c1O)N(C)C	1589956841	DQTHWYVJNBNNID-VHSXEESVSA-N	290.371	1.173	10	20	CDCD	
COC(=O)c1cnc(S[C@H](C(=O)O)C2CC2)s1	1593893167	FFACOZDQWMLXDV-ZETCQYMHSA-N	273.335	1.885	10	20	CDCD	
Cc1nccc(CNC(=O)c2cccc(O)c2O)n1	126359011	XJVGWCBOFSLAQL-UHFFFAOYSA-N	259.265	1.126	10	20	CDCD	
OC[C@]1(NCc2ccc(N3CCCC3)cc2)CCOC1	393893326	YVUFJXFUINHWLQ-MRXNPFEDSA-N	276.380	1.528	10	20	CDCD	
C[C@@H]1C[C@@H](NC(=O)c2cccc(O)c2O)CS1	397873548	UKEXBTLRYIJHGN-HTQZYQBOSA-N	253.323	1.722	10	20	CDCD	
COc1ccc(N2CCC(NC(=O)[C@@H](C)OC)CC2)cc1	171018326	RFGOYSPCSPSNPN-GFCCVEGCSA-N	292.379	1.815	10	20	CDCD	
CN1C(=O)C(=CNC2CCCCCCC2)C(=O)N(C)C1=O	60861820	MJEITHIKCLNROX-UHFFFAOYSA-N	293.367	1.623	10	20	CDCD	
Cn1nccc1S(=O)(=O)Nc1ccc(O)c(Cl)c1	128209799	QGAVDDFNBOESAH-UHFFFAOYSA-N	287.728	1.580	10	20	CDCD	
COC1CN(c2ccc(/C=C\C(=O)O)cc2[N+](=O)[O-])C1	312229688	DIJSRWVBEWOYKO-HYXAFXHYSA-N	278.264	1.528	10	20	CDCD	
COC(=O)C1(CNCc2cc(F)ccc2O)CC1	188690607	LVXBBDBQJWJSSW-UHFFFAOYSA-N	253.273	1.574	10	20	CDCD	
CCN1CCN(Cc2ccccc2O)C(C)(C)C1=O	190027190	RIOUUGXVEUUDKE-UHFFFAOYSA-N	262.353	1.835	10	20	CDCD	
O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1CCOC1	49354602	XSOMZBVLWQBAMI-AWEZNQCLSA-N	274.364	1.940	10	20	CDCD	
CCOC(=O)CCC(=O)NCc1ccc(N(C)C)c(F)c1	194892524	QWQKBORZNVUSMD-UHFFFAOYSA-N	296.342	1.851	10	20	CDCD	
C[C@H](CO[C@H]1CCOC1)NC(=O)Cc1ccc(N)cc1	237399178	URNARLSXOCJHJU-RISCZKNCSA-N	278.352	1.122	10	20	CDCD	
CCn1c(S)nnc1CNC(=O)Cc1ccc(N)cc1	237154520	LOEMYPLYVOYQIK-UHFFFAOYSA-N	291.380	1.028	10	20	CDCD	
CNC(=O)[C@H]1CCCN(Cc2cccc(OC)c2O)C1	93361051	ZQCVVQONVROWEN-LBPRGKRZSA-N	278.352	1.359	10	20	CDCD	
CC[C@@H](OC)C(=O)NCc1cccc(OC)c1O	264243521	CXXNKJGCXNLHPU-SNVBAGLBSA-N	253.298	1.442	10	20	CDCD	
C[C@@H](O)CCCNC(=O)NCc1ccc(N(C)C)cc1	278915566	SNCBRJDDUYCBBU-GFCCVEGCSA-N	279.384	1.713	10	20	CDCD	
COc1cc(O)c(CN2CCN(C)CC2(C)C)cc1OC	271770715	GCMSXBHQDFSQDD-UHFFFAOYSA-N	294.395	1.935	10	20	CDCD	
C[C@H](NC[C@@H](CO)[C@@H]1CCOC1)c1ccccc1O	280923886	RHGLFDDILWXPAQ-XQQFMLRXSA-N	265.353	1.688	10	20	CDCD	
O=C(NCC1=CCCOC1)NCc1ccccc1O	287660198	VLCFKADSCQQMOO-UHFFFAOYSA-N	262.309	1.538	10	20	CDCD	
COc1ccc(N2CC[C@H](CNC(=O)[C@@H](C)OC)C2)cc1	819584005	YHOXYHYMMXBICH-CHWSQXEVSA-N	292.379	1.673	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NCCCCC(=O)O)cc1	820548084	WNDVTTMPTLSFNF-UHFFFAOYSA-N	293.367	1.807	10	20	CDCD	
Oc1ccc(CCNc2cccc(-c3nn[nH]n3)n2)cc1O	826511235	HUGLDSTZCMBOAQ-UHFFFAOYSA-N	298.306	1.328	10	20	CDCD	
COC(=O)c1cnc(S[C@H]2CCCN(C)C2=O)s1	829680972	JSQYAHMZEVRWKI-ZETCQYMHSA-N	286.378	1.643	10	20	CDCD	
O=C(O)[C@@H]1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)C1	821508627	CCFDIZNLVIYQLE-WUWIAWFRSA-N	277.276	1.044	10	20	CDCD	
COc1ccc(N2CC[C@@H](CNC(=O)NCCF)C2)cc1	823559026	ZHXJEIRZQLOQAR-LBPRGKRZSA-N	295.358	1.790	10	20	CDCD	
CC(C)n1cncc1/C=C1\SC(=S)NC1=O	901415862	AYEMTUDAFFKSNW-BAQGIRSFSA-N	253.352	1.953	10	20	CDCD	
CO[C@@]1(C)CCCN(C(=O)c2c(F)ccc(O)c2O)C1	830884014	KCEHWNIXGOXLDC-AWEZNQCLSA-N	283.299	1.878	10	20	CDCD	
COC(=O)[C@@H]1C[C@@H](C)CCN1C(=O)c1cc(O)cs1	832417183	DEJGBRCEUBCQKJ-WPRPVWTQSA-N	283.349	1.867	10	20	CDCD	
COC(=O)[C@H](CC1CC1)NC(=O)c1cccc(O)c1O	839814246	KOHMDSHWCTZBBY-JTQLQIEISA-N	279.292	1.169	10	20	CDCD	
C[C@H](NC[C@]1(C)CCC(=O)N1)c1cc(F)cc(F)c1O	834910205	VUDBCQSYVHGBLM-RTHLEPHNSA-N	284.306	1.990	10	20	CDCD	
Cn1nccc1NC(=O)/C=C\c1ccc(O)c(O)c1	588406168	JDONDFGBRQKQSR-HYXAFXHYSA-N	259.265	1.483	10	20	CDCD	
CN(C)c1ccc([C@@H](N)CNC(=O)CC2CC2)cc1	832300181	NRNAHWVTJMQXKF-AWEZNQCLSA-N	261.369	1.669	10	20	CDCD	
Nc1ccc(Cc2noc(C[C@@H]3CCOC3)n2)cc1	843158235	ACYSRYIXGONICF-NSHDSACASA-N	259.309	1.822	10	20	CDCD	
CC[C@H](NCc1ccc(N(C)C)cc1C)C(=O)NC	840952462	AETBVLIHTRCLES-AWEZNQCLSA-N	263.385	1.675	10	20	CDCD	
Cc1[nH]nc(C(=O)N(C)Cc2ccccc2O)c1O	749204206	QDURXXLKGPTWFY-UHFFFAOYSA-N	261.281	1.402	10	20	CDCD	
CN(C)c1ccc(CN2CCO[C@H](CN)C2)cc1F	843071280	ZYIDHNGGSXBYKA-GFCCVEGCSA-N	267.348	1.051	10	20	CDCD	
CN1CCC[C@@H]1CNC(=O)NCc1cc(Cl)ccc1O	844927335	YRYLIJPYBREBAG-GFCCVEGCSA-N	297.786	1.939	10	20	CDCD	
COc1ccc(CNC(=O)[C@@]2(C)CCCNC2)c(O)c1	843499361	FTGCOUXGRNZJLJ-HNNXBMFYSA-N	278.352	1.407	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2C[C@H](C)N[C@@H](C)C2)c1O	843049208	JMDMXOCAVYBGGN-UWVGGRQHSA-N	295.339	1.491	10	20	CDCD	
C[S@@](=O)CCNC(=O)NCc1cc(Cl)ccc1O	845009406	REZHSECLRSISHL-GOSISDBHSA-N	290.772	1.223	10	20	CDCD	
O=C1C[C@H](CNCc2ccccc2O)CN1C1CC1	846075187	LTYGUIVFFYKOBA-LLVKDONJSA-N	260.337	1.493	10	20	CDCD	
CC[C@@H](COC)NC[C@H](N)c1ccc(N(C)C)cc1	841046163	XEJUNLUIWXTUBC-ZFWWWQNUSA-N	265.401	1.767	10	20	CDCD	
C[C@H](CN)CNC(=O)NCc1ccc(N2CCCC2)cc1	841709899	OWNCKBNAGCWYOS-CYBMUJFWSA-N	290.411	1.681	10	20	CDCD	
Cc1cc(O)c(CNC[C@@H](C)S(C)(=O)=O)cc1C	754084820	CRUAWLUFTCINMK-LLVKDONJSA-N	271.382	1.532	10	20	CDCD	
CCc1cccc(CN[C@@H](CO)c2cnn(C)c2)c1O	848900617	OPCHWWZEDDURKA-AWEZNQCLSA-N	275.352	1.511	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H](C)CN)c1	841981579	AXPOVMVRPFMUEA-DTWKUNHWSA-N	267.329	1.108	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNCCN1CCO[C@@H](C)C1	840932844	VBQFKCOIFPBHNX-HNNXBMFYSA-N	291.439	1.871	10	20	CDCD	
COc1ccc(N2CCC(N=c3nc[nH]n3C)CC2)cc1	853252123	JGDXRLBKYTUFIZ-UHFFFAOYSA-N	287.367	1.327	10	20	CDCD	
O=C(NC/C=C/CO)NCCCSc1nccs1	853854384	AAONPHTYPUQEQF-OWOJBTEDSA-N	287.410	1.473	10	20	CDCD	
Cc1cc(O)c(CN[C@@H]2CCOC[C@H]2O)cc1Cl	862532579	ILRFJQPTABBKEF-DGCLKSJQSA-N	271.744	1.593	10	20	CDCD	
CC1=NO[C@@H](CNC(=O)NCc2ccc(N(C)C)cc2)C1	866047992	NPCFZYHADWUEAD-CQSZACIVSA-N	290.367	1.717	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)Cn1cnc(N)n1	866600803	HBVRUDWNSDIXAU-UHFFFAOYSA-N	289.339	1.005	10	20	CDCD	
Cc1cccnc1C(=O)NCc1ccc(O)c(O)c1	778915755	UZOXNJZUQZZECH-UHFFFAOYSA-N	258.277	1.731	10	20	CDCD	
CN(C(=O)CO[C@@H]1CCCNC1)c1ccc(N)cc1	877079170	TVZPHBWSJSJPNU-CYBMUJFWSA-N	263.341	1.000	10	20	CDCD	
Cc1cccc(O)c1CN1CC[C@@H]2NC(=O)OC[C@H]2C1	877497207	JRWXITBAVIXSIZ-YPMHNXCESA-N	276.336	1.631	10	20	CDCD	
CCN1CC(=O)N(CCCSc2nccs2)C1=O	777650886	OVLQQAQMVLABEM-UHFFFAOYSA-N	285.394	1.909	10	20	CDCD	
CO[C@@]1(C(=O)NCCc2ccc(N)cc2)CCSC1	884028330	DFJKISOGVVOVQH-AWEZNQCLSA-N	280.393	1.450	10	20	CDCD	
Cc1cc(NC(=O)/C=C/c2ccc(O)c(O)c2)nn1C	779533349	DPHFGXJUFMZYTC-GQCTYLIASA-N	273.292	1.792	10	20	CDCD	
CC[C@@](C)(N)c1cn(Cc2ccc(N(C)C)cc2)nn1	881272489	XODQYLXULZMCEM-OAHLLOKOSA-N	273.384	1.976	10	20	CDCD	
COCCN(C)CCNCc1ccc(OC)c(OC)c1O	892800658	HQUZSIWGBVJIAB-UHFFFAOYSA-N	298.383	1.077	10	20	CDCD	
CCO[C@@H]1COC[C@H]1NCc1cc(C)cc(OC)c1O	894936093	VXXJMXAYNHCSHP-TZMCWYRMSA-N	281.352	1.603	10	20	CDCD	
CCOc1ccc(O)c(CN2C[C@@H](O)C[C@@]2(C)CO)c1	895332235	TXVGMOIKYIEJLL-WFASDCNBSA-N	281.352	1.109	10	20	CDCD	
CO[C@]1(C(=O)NCCc2ccc(O)c(O)c2)CCSC1	897067773	KMPFPYWXYGMOBV-CQSZACIVSA-N	297.376	1.279	10	20	CDCD	
COC[C@@H](NCc1cc(C)cc(OC)c1O)[C@H]1CCCO1	894593714	ATSRGEYXRKVFAJ-ZIAGYGMSSA-N	295.379	1.993	10	20	CDCD	
COc1cc(C)cc(CN[C@@](C)(CO)C2CC2)c1O	894399766	JGVPMSYYBZPHGR-HNNXBMFYSA-N	265.353	1.960	10	20	CDCD	
CC1(C(=O)NCCCSc2nccs2)COC1	782699132	HUXZOJIYMKLHAN-UHFFFAOYSA-N	272.395	1.778	10	20	CDCD	
COc1cccc(O)c1CN1C[C@H](C)O[C@]2(CCOC2)C1	793363689	VELOZZLILZEFFW-BLLLJJGKSA-N	293.363	1.781	10	20	CDCD	
C[C@H]1CCN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)C1	1321359130	FTJDAIQTRIPZHZ-LBPRGKRZSA-N	289.379	1.237	10	20	CDCD	
CN(Cc1ccc(N2CCCC2)cc1)CC(C)(CO)CO	1323320696	DJECOQWXBVZAKJ-UHFFFAOYSA-N	292.423	1.710	10	20	CDCD	
CNC[C@H](C)CNC(=O)N[C@H](C)c1cc(OC)ccc1O	1331456274	PNOHPBYFLGPPJJ-WDEREUQCSA-N	295.383	1.617	10	20	CDCD	
CCOC1(C(=O)NCc2cccc(O)c2O)CCC1	1347542946	UKIVOUSICNIKKY-UHFFFAOYSA-N	265.309	1.673	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNCCCC(=O)O)c1O	1349313016	BCYGDOMITCDGHL-UHFFFAOYSA-N	284.268	1.263	10	20	CDCD	
O=C1NC(=S)S/C1=C\c1cccc(C(=O)O)n1	1602656924	WRQXPVUSLHEAPY-DAXSKMNVSA-N	266.303	1.269	10	20	CDCD	
Cc1ccc([C@@H](C)NCCC(=O)NCCC(=O)O)c(O)c1	1600371886	HRRIPUVDOYYYRC-LLVKDONJSA-N	294.351	1.332	10	20	CDCD	
C[C@](O)(CN1CCCc2cc(CN)ccc21)C(F)F	1576259871	SGAIATYDOZYBHX-AWEZNQCLSA-N	270.323	1.914	10	20	CDCD	
Cc1cccc(CN[C@H](C)CN2CCCC2=O)c1O	124718548	BAWJKZCPZYQMDU-GFCCVEGCSA-N	262.353	1.801	10	20	CDCD	
COc1ccc(N2CCCN(CC[C@@H](C)O)CC2)cc1	827468541	UNUDGRCKONSSAL-CQSZACIVSA-N	278.396	1.978	10	20	CDCD	
CO[C@@H](CNCc1cc(C)ccc1O)[C@H]1CCOC1	850342519	MDBYMAHRNUQMGP-WFASDCNBSA-N	265.353	1.842	10	20	CDCD	
CCN(CC)C(=O)CNCc1c(C)cccc1O	876985962	YGVZLDMAWBMRCF-UHFFFAOYSA-N	250.342	1.659	10	20	CDCD	
Cc1nn(C)c(C)c1C(=O)N(C)c1ccc(N)cc1	20373758	YCHZWVYNGUBZEP-UHFFFAOYSA-N	258.325	1.896	10	20	CDCD	
Cc1ccc([C@H](C)NCc2nnc(C)n2C)c(O)c1	393227090	YVKYXFLDIJDLKQ-JTQLQIEISA-N	260.341	1.988	10	20	CDCD	
CO[C@H](C)C(=O)NCc1ccc(N2CCOCC2)c(F)c1	55529370	LCJQQGGJEYXUEB-LLVKDONJSA-N	296.342	1.313	10	20	CDCD	
CC(=O)NC[C@H]1CN(Cc2cc(C)cc(C)c2O)CCO1	178889890	XVDXAXMZFKRAFG-HNNXBMFYSA-N	292.379	1.346	10	20	CDCD	
C[C@H](O)CCNC(=O)NCc1ccc(N2CCCC2)cc1	172224579	JTBKUCGBOUDJGG-ZDUSSCGKSA-N	291.395	1.857	10	20	CDCD	
CCOC(=O)CN(CC)C(=O)c1cccc(O)c1O	126334437	VMDJNZAGWOMKHT-UHFFFAOYSA-N	267.281	1.123	10	20	CDCD	
CCCCCN1CC(=O)N[C@H]1c1ccc(O)c(O)c1	182335775	YCRJRFBHOHIQTO-CQSZACIVSA-N	264.325	1.718	10	20	CDCD	
CCc1cc(O)ccc1NS(=O)(=O)CCOC	189429497	BFPXXDXUOKNNDL-UHFFFAOYSA-N	259.327	1.343	10	20	CDCD	
CCOC(=O)N1CC[C@H](NCc2cccc(OC)c2O)C1	185777701	BTBFNSWFPLWVTI-LBPRGKRZSA-N	294.351	1.721	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccccn1	183425779	BUPKIBCBGYDMKU-JTQLQIEISA-N	272.304	1.854	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NCC(F)(F)CO)cc1	184146696	SNPVMWBOWBVOCV-UHFFFAOYSA-N	287.310	1.179	10	20	CDCD	
COc1cccc(CN2CCC[C@@H]2C(=O)O)c1O	86726373	MPZOAMDNGVPJQC-SNVBAGLBSA-N	251.282	1.450	10	20	CDCD	
C[C@@]1(CO)CN(Cc2ccccc2O)C[C@]1(C)CO	529669610	ZQXAAYPNKYGLCV-GASCZTMLSA-N	265.353	1.205	10	20	CDCD	
COc1ccc(O)c(CN2CC(=O)N(CC3CC3)C2)c1	279379590	IYTYNPYMRMAIRF-UHFFFAOYSA-N	276.336	1.413	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2CC[C@H](OC)C2)c1O	278151231	CGAWOFSPXHCKNM-JTQLQIEISA-N	282.296	1.530	10	20	CDCD	
NC(=O)[C@@H]1c2ccccc2CCN1Cc1ccccc1O	361053748	SPBYDMUOZSOQSJ-INIZCTEOSA-N	282.343	1.977	10	20	CDCD	
Cc1cc(C(=O)NC[C@H]2CCNC2)c(C)n1-c1ccccn1	273086873	YXNRRQHDGXKHDN-AWEZNQCLSA-N	298.390	1.828	10	20	CDCD	
CCc1nc([C@@H](C)NC(=O)c2c(F)ccc(O)c2O)n[nH]1	294785945	AXFVDEATTWZQFG-ZCFIWIBFSA-N	294.286	1.408	10	20	CDCD	
CC(C)(C)n1cnc(C(=O)NCc2ccccc2O)n1	292465744	YDMLWCBXEYROAC-UHFFFAOYSA-N	274.324	1.669	10	20	CDCD	
C[C@@H](CN(C)C)NCc1ccc(N2CCN(C)CC2)cc1	808423138	KBHOOBMSESGCDV-HNNXBMFYSA-N	290.455	1.478	10	20	CDCD	
COCCn1nnc2c1CCN(Cc1ccccc1O)C2	293695354	RBRJTZKVIKZOMV-UHFFFAOYSA-N	288.351	1.188	10	20	CDCD	
Cc1cc(O)c(CN2CCn3ncnc3C2)cc1Cl	825536669	LBXHYCPLZANGGO-UHFFFAOYSA-N	278.743	1.961	10	20	CDCD	
CCC(=O)N[C@H](C)C(=O)N[C@H](C)c1cc(OC)ccc1O	728977765	COIHICPKHYRTBV-NXEZZACHSA-N	294.351	1.493	10	20	CDCD	
C[C@@H](NC(=O)[C@@H]1CC[C@H]1C(N)=O)c1ccccc1O	827946861	TYLURIXSIUFJBN-FBIMIBRVSA-N	262.309	1.081	10	20	CDCD	
Cc1cc(O)c(CN2CCc3nn[nH]c3C2)cc1C	827884582	DGJDDRLVEXYIIJ-UHFFFAOYSA-N	258.325	1.685	10	20	CDCD	
CN(C)c1cc(F)c(CNCC(F)(F)C(=O)O)cc1F	904032335	NTMYVRDZIYNRRH-UHFFFAOYSA-N	294.248	1.840	10	20	CDCD	
CCOC(=O)/C(=C\c1cncn1C)c1nccn1C	901466194	YGJDXXPMHOGQRK-XFFZJAGNSA-N	260.297	1.257	10	20	CDCD	
O=C(CCCn1ccnc1)NCc1ccccc1O	735857174	OILWDNSWOBXUAK-UHFFFAOYSA-N	259.309	1.685	10	20	CDCD	
C[C@@H](CCCO)CNC(=O)/C=C\c1ccc(O)c(O)c1	833889240	RINVMXBBBMKVJM-XOIDGJRKSA-N	279.336	1.636	10	20	CDCD	
Cc1ccc(C(=O)N[C@H]2CC23CCOCC3)c(O)c1O	836865843	BSJNYBXTMNXZCP-NSHDSACASA-N	277.320	1.705	10	20	CDCD	
C[C@@H]1COCCN1CCN[C@H]1CCc2cccc(O)c21	834566321	JTMJIDFZIQWFNI-OCCSQVGLSA-N	276.380	1.690	10	20	CDCD	
COc1ccc(CN[C@H]2CCOC[C@H]2C)c(O)c1	385316832	GPVVXLUGEHPUCD-MFKMUULPSA-N	251.326	1.915	10	20	CDCD	
CN[C@@H]1CCCN(Cc2cc(F)cc(C(C)=O)c2O)C1	843348603	SMVXNCFGHUSTJM-CYBMUJFWSA-N	280.343	1.918	10	20	CDCD	
COc1cc(Cl)cc(CNC[C@@H](N)C2CC2)c1O	841048612	FROAALFGLQZRCV-LLVKDONJSA-N	270.760	1.881	10	20	CDCD	
CC[C@H]1CN(Cc2cc(OC)c(OC)cc2O)CC[C@H]1N	843052848	VRXPTDUUZLXAMP-WCQYABFASA-N	294.395	1.969	10	20	CDCD	
C[C@H](NC(=O)N[C@@H]1CCCNC1)c1ccc(N(C)C)cc1	841882401	YNEFGHQLTUSXRH-GXTWGEPZSA-N	290.411	1.865	10	20	CDCD	
O=C(NCc1cc(Cl)ccc1O)[C@@H]1CCCO1	846474637	XXYLJMRCCGCZIS-NSHDSACASA-N	255.701	1.841	10	20	CDCD	
COC(=O)C1(CNC(=O)NCc2cc(C)ccc2O)CC1	858371656	FTWIZEYHNGVIIX-UHFFFAOYSA-N	292.335	1.453	10	20	CDCD	
COC[C@](C)(O)C(=O)N(C)Cc1ccc(N(C)C)cc1	754976340	HLRRCSBFKSZOOX-HNNXBMFYSA-N	280.368	1.108	10	20	CDCD	
COc1ccc(O)c(CNC(=S)NCCSC)c1	752761668	RZOLEHDQTAJXKL-UHFFFAOYSA-N	286.422	1.728	10	20	CDCD	
CO[C@@H]1CCN(C(=O)NCc2ccc(N(C)C)cc2C)C1	752983539	VQCCBOQPCMEJQQ-OAHLLOKOSA-N	291.395	1.991	10	20	CDCD	
CC(C)c1nc(COC(=O)c2cccc(O)c2O)no1	758572846	NONMUFNXLDBTKS-UHFFFAOYSA-N	278.264	1.961	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@@H]2CCc3cnn(C)c3C2)c1	862756197	SOKBGKBJVXPRTN-GFCCVEGCSA-N	299.374	1.855	10	20	CDCD	
Cc1c(CNC(=O)c2cc(O)cs2)cnn1C	760809349	ZKJZZLTUAQXKAB-UHFFFAOYSA-N	251.311	1.426	10	20	CDCD	
CCC[C@@H]1C(=O)NCCN1Cc1ccc(C)cc1O	876781028	IQXRJDDEBRTZAE-CYBMUJFWSA-N	262.353	1.801	10	20	CDCD	
COC(=O)[C@@H](C)NCc1ccc(N2CCC(O)CC2)cc1	877492945	YPAAIQKPEQBJQV-GFCCVEGCSA-N	292.379	1.299	10	20	CDCD	
CCCCN(C)CCNC(=O)/C=C/c1ccc(O)c(O)c1	779516744	HJGNLMKFJGNYAK-SOFGYWHQSA-N	292.379	1.959	10	20	CDCD	
CCOC(=O)[C@@H](C)NC(=O)/C=C\c1ccc(O)c(O)c1	779500206	QPGZONQANMASPK-WILPJHFFSA-N	279.292	1.179	10	20	CDCD	
C[C@H](N=c1ncnc2[nH][nH]cc1-2)c1ccc(N(C)C)cc1	772299788	HRYCFCDVYJVTDF-JTQLQIEISA-N	282.351	1.966	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)c1ccc2cccnn12	779386436	WQWVLKZCCWIMFO-UHFFFAOYSA-N	297.314	1.718	10	20	CDCD	
CCn1cc(CNC(=O)/C=C/c2ccc(O)c(O)c2)cn1	779520089	HLJDTIKOVZADIN-GQCTYLIASA-N	287.319	1.644	10	20	CDCD	
COC1(CNC(=O)c2cccc(O)c2O)CCC1	189561621	NTFITJPJWTZRCD-UHFFFAOYSA-N	251.282	1.397	10	20	CDCD	
CC[C@H](NC[C@@](C)(O)COC)c1ccc(F)cc1O	796762122	RNUNNALXOPUKHZ-GXTWGEPZSA-N	271.332	1.969	10	20	CDCD	
CCc1cccc(CN(C)[C@@H]2CCN(C)C2=O)c1O	690186621	QSQDQGNBVGUWMS-CYBMUJFWSA-N	262.353	1.617	10	20	CDCD	
CC(C)[C@@H](CNCc1cc([N+](=O)[O-])ccc1O)C(=O)O	1326324091	SCDQJNHRCMNWMZ-LLVKDONJSA-N	282.296	1.747	10	20	CDCD	
C[C@H](N)CN(C)Cc1ccc(N2CCN(C)CC2)c(F)c1	1335382659	PSRLZFMUXCJXPO-ZDUSSCGKSA-N	294.418	1.357	10	20	CDCD	
CN[C@@H](C)CCNC(=O)N(C)Cc1ccc(N(C)C)cc1	1331466518	LUXPHWYEBCREAT-ZDUSSCGKSA-N	292.427	1.892	10	20	CDCD	
COCC(COC)N[C@@H](C)c1cc(C(=O)O)ccc1O	1606804470	KHIDUNLUMXWBGR-VIFPVBQESA-N	283.324	1.402	10	20	CDCD	
O=C(N[C@@H](C(=O)O)c1ccccn1)c1cccc(O)c1O	1601402804	XMKPAQMZDBRKEK-LLVKDONJSA-N	288.259	1.049	10	20	CDCD	
C[C@@]1(C(=O)NCc2cccc(Cl)c2O)CCNC1	1573596200	GAFZPEVFKICVJL-CYBMUJFWSA-N	268.744	1.661	10	20	CDCD	
C[C@H](CN(C)C(=O)/C=C\c1ccc(O)c(O)c1)C(=O)O	1589019584	MSVBXEJXCHYEEI-XTULLQBASA-N	279.292	1.290	10	20	CDCD	
CCOCCOCCNCc1cc(C)ccc1O	922942405	XFGXLLPBLPTGOI-UHFFFAOYSA-N	253.342	1.843	10	20	CDCD	
CCO[C@H]1C[C@@H](NC(=O)NCCc2ccc(N)cc2)C1	841916112	XWJWPNADXLJFGM-OKILXGFUSA-N	277.368	1.678	10	20	CDCD	
COc1cccc(O)c1CN1CC[C@](C)(CN)C1	843118029	ZGEZTWPWWBMFQE-CQSZACIVSA-N	250.342	1.572	10	20	CDCD	
CCOc1cccc(CNC[C@@H]2CCCS2(=O)=O)c1O	126674060	BLSZRVKAFXBMDF-LBPRGKRZSA-N	299.392	1.458	10	20	CDCD	
Cc1cccc(O)c1CNC[C@H]1CN2CCC[C@@H]2CO1	877022715	QPNZZALTXCWWNW-KGLIPLIRSA-N	276.380	1.653	10	20	CDCD	
CS(=O)(=O)CCCN1CCCc2cc(CN)ccc21	63015265	IPYZAJBSUXCXCG-UHFFFAOYSA-N	282.409	1.333	10	20	CDCD	
Cc1c(CNC(=O)c2cccc(O)c2O)cnn1C	187209590	WQJOBRYJBJTOQU-UHFFFAOYSA-N	261.281	1.070	10	20	CDCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NC[C@H](O)CN(C)C	717394599	JVLZWBOYEPVAHY-AGIUHOORSA-N	278.396	1.761	10	20	CDCD	
CC(C)(C)OC(=O)NCCNC(=O)c1cc(O)cs1	731871904	URYHVLNPHXUZSE-UHFFFAOYSA-N	286.353	1.708	10	20	CDCD	
COc1ccc(O)c(CNC[C@H]2CCCN2C)c1	224570189	BBMTYHLWHWMDFD-GFCCVEGCSA-N	250.342	1.585	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)C[C@@H]1CCCN1	178863401	HHBYCNIWMTULBB-LBPRGKRZSA-N	289.379	1.620	10	20	CDCD	
CCOc1cccc(CN2CCNC(=O)[C@@H]2C)c1O	123446909	GUPLHTZOLDBIDM-JTQLQIEISA-N	264.325	1.111	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)c1c(O)cccc1F	184960036	PJYWYOMIYNFRGV-UHFFFAOYSA-N	291.278	1.915	10	20	CDCD	
N[C@@H]1CCN(Cc2cc(Br)ccc2O)C1	219829037	YNOJTPOEFWEWHQ-SNVBAGLBSA-N	271.158	1.688	10	20	CDCD	
CN(C)CCNC(=O)NCc1ccc(N(C)C)c(F)c1	133553886	MYAAIIMVEONRNJ-UHFFFAOYSA-N	282.363	1.253	10	20	CDCD	
C[C@H](NCc1ccccc1O)C(=O)NCC(F)(F)F	134229360	SVDRXTKXXOYEHU-QMMMGPOBSA-N	276.258	1.549	10	20	CDCD	
Cn1cnc(=NCc2cccc(Br)c2O)[nH]1	381630045	PAYOKQSOPPKVSY-UHFFFAOYSA-N	283.129	1.317	10	20	CDCD	
CCc1nnc(Sc2ncc([N+](=O)[O-])s2)n1N	192493275	DZRTZZZEHINTNU-UHFFFAOYSA-N	272.315	1.070	10	20	CDCD	
C[C@H](CN1CCOCC1)NCc1cc([N+](=O)[O-])ccc1O	237667904	PNYSDEYHPBUDCQ-LLVKDONJSA-N	295.339	1.111	10	20	CDCD	
CCOc1ccc(O)c(CNCC(=O)NC2CC2)c1	263702117	RKNHKYHNBJFEEN-UHFFFAOYSA-N	264.325	1.159	10	20	CDCD	
C[C@@H](N[C@H](CO)c1cnn(C)c1)c1cc(F)ccc1O	273526909	VKPHFRXHCYTQDC-NOZJJQNGSA-N	279.315	1.649	10	20	CDCD	
COc1ccc(O)c(CN2CC[S@@](=O)C[C@@H](C)C2)c1	369350766	WOPYMOCCGZBGBR-JEOXALJRSA-N	283.393	1.601	10	20	CDCD	
O=C(NC1CCN(C2CC2)CC1)c1c(F)ccc(O)c1O	276496100	HFYOGTAMJPGVKM-UHFFFAOYSA-N	294.326	1.594	10	20	CDCD	
CCN1CCN(Cc2cc(C)c(C)cc2O)CC1=O	273531121	VEYOGMNMZSEENM-UHFFFAOYSA-N	262.353	1.673	10	20	CDCD	
CC[C@@](C)(OC)C(=O)NCc1cccc(OC)c1O	280785265	TXLDNMNWRIYFIT-CQSZACIVSA-N	267.325	1.832	10	20	CDCD	
C[C@H](C(=O)O)N(C)C(=O)/C=C\c1ccc(O)c(O)c1	819888376	BXTZCUPNSYPWMQ-RZAAKKIOSA-N	265.265	1.043	10	20	CDCD	
COc1ccc(N2CC[C@H](CN[C@H](C)C3CNC3)C2)cc1	818614803	GPKBJPDSWRIENP-ZIAGYGMSSA-N	289.423	1.719	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)NCCNC2CC2)c1	817952556	FVVTYJHYPSVCKH-SNVBAGLBSA-N	278.352	1.581	10	20	CDCD	
COC(=O)CCCC(=O)N[C@H](C)c1ccccc1O	827941860	YZQBMDVIPPKNJI-SNVBAGLBSA-N	265.309	1.913	10	20	CDCD	
CNCCC(=O)NCc1ccc(N2CCSCC2)cc1	827321329	VEJMOBCHUDQXCZ-UHFFFAOYSA-N	293.436	1.466	10	20	CDCD	
COC(=O)c1cnc(SCCN2CCOCC2)s1	829680674	CNHRPERIOQSGIJ-UHFFFAOYSA-N	288.394	1.354	10	20	CDCD	
O=C(N[C@H]1CCCN(C(=O)O)C1)c1cc(O)cs1	739388371	QSSRPXCDVZBCNI-ZETCQYMHSA-N	270.310	1.326	10	20	CDCD	
CC1CCN(c2ccc(CNC(=O)CCO)cc2)CC1	902852166	MBBNLYXXLXUBHN-UHFFFAOYSA-N	276.380	1.922	10	20	CDCD	
CN(C)c1ccc([C@@H](N)CNC[C@]2(C)CCCNC2)cc1	904353414	MAIGCMNSLCMCRJ-DLBZAZTESA-N	290.455	1.732	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=S)NCCN(C)C	734383880	GTCGFIGAEKOGOV-UHFFFAOYSA-N	294.468	1.587	10	20	CDCD	
C[C@H]1C(=O)N(C)[C@H](C)[C@@H](C)N1C(=O)c1cccc(O)c1O	912015912	VPVSCNLXZDDGCK-BBBLOLIVSA-N	292.335	1.178	10	20	CDCD	
Cc1nn(C)c(C)c1C(=O)NCc1ccc(O)cc1O	910952032	PQEKNVHCBMQIFM-UHFFFAOYSA-N	275.308	1.378	10	20	CDCD	
CO[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(N)cc2)C1(C)C	841065086	MPYQPZNVFXVUNM-VXGBXAGGSA-N	291.351	1.137	10	20	CDCD	
Oc1c(Br)cccc1CN[C@@H]1CCCNC1	841041669	DGOUQGOUJMQOPP-SNVBAGLBSA-N	285.185	1.996	10	20	CDCD	
COc1cccc(CN[C@@H]2CCN[C@H](C)C2)c1O	841062439	WRYRXSNPXUPRJQ-ZYHUDNBSSA-N	250.342	1.631	10	20	CDCD	
NCCN(CCO)Cc1ccc(N2CCCCC2)cc1	841059814	XLKLURWNGXZBLV-UHFFFAOYSA-N	277.412	1.430	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H](C)CN	841963013	NQWXVRFQNOZMTH-ZDUSSCGKSA-N	292.427	1.879	10	20	CDCD	
Nc1ccc(NC(=O)C2CCS(=O)(=O)CC2)cc1	1326037698	BURQRXOAJDCUPK-UHFFFAOYSA-N	268.338	1.032	10	20	CDCD	
CCO[C@@H]1COC[C@H]1N[C@@H](C)c1cccc(OC)c1O	846170030	UWHQJILLIKPFFI-ZKYQVNSYSA-N	281.352	1.855	10	20	CDCD	
COc1ccc(O)c(CN2CCS(=O)(=O)CC2(C)C)c1	843408163	AIINOAXPNUBWNA-UHFFFAOYSA-N	299.392	1.410	10	20	CDCD	
c1cc2c(cc1CN[C@@H]1CCc3nnnn3CC1)CCCO2	922193144	BBQQQLKAOMVAPE-CQSZACIVSA-N	299.378	1.493	10	20	CDCD	
C[C@H](N[C@@H](CO)c1cnn(C)c1)c1cc(F)cc(F)c1O	756777170	WJXCEEUBAQBOFZ-SDBXPKJASA-N	297.305	1.788	10	20	CDCD	
CCCN(C)S(=O)(=O)N[C@H](C)c1ccccc1O	867833817	BJRZLAFPFTYIQE-SNVBAGLBSA-N	272.370	1.629	10	20	CDCD	
Oc1c(F)cc(Cl)cc1CNCCN1CC[C@H](O)C1	862552270	UVYQYVBPHZAQHK-NSHDSACASA-N	288.750	1.341	10	20	CDCD	
COC(=O)N[C@@H](C)C(=O)NCc1cc(C)ccc1O	862758409	XYFZLKSHMLYINI-VIFPVBQESA-N	266.297	1.061	10	20	CDCD	
COC(=O)C[C@H]1COCCN1Cc1c(C)cccc1O	877529919	ODRNIIGYBXKZBU-LBPRGKRZSA-N	279.336	1.465	10	20	CDCD	
Cc1ccc(CN2C[C@H](CO)OC[C@@H]2C)c(O)c1	876812275	KNFYWYMMECUVLF-WCQYABFASA-N	251.326	1.282	10	20	CDCD	
COc1ccc(N2CCN(CC(C)=O)CC2)c(OC)c1	879462336	QYXZNIKWHBDCOV-UHFFFAOYSA-N	278.352	1.415	10	20	CDCD	
CN(c1ccc(CNC(=O)C(N)=O)cc1)C1CCCCC1	874238344	LDPKWMUJXRUDCQ-UHFFFAOYSA-N	289.379	1.557	10	20	CDCD	
COc1cc(N2CC(C)(OC)C2)c([N+](=O)[O-])cc1OC	776817678	PMODWSMBVROVFK-UHFFFAOYSA-N	282.296	1.837	10	20	CDCD	
Cc1ccc(CN[C@@H](C)[C@H]2CN(C)CCO2)c(O)c1	877100213	QSVPCJHKSQZWOC-SWLSCSKDSA-N	264.369	1.509	10	20	CDCD	
CCOc1ccc(CN2CC[C@H](C)C[C@@H]2C(N)=O)c(O)c1	779201381	YUUDHCQLTHJVCM-SMDDNHRTSA-N	292.379	1.877	10	20	CDCD	
CC(C)[C@](C)(O)C(=O)NCCc1ccc(O)c(O)c1	771416123	FOPPDSNPMCORTR-AWEZNQCLSA-N	267.325	1.164	10	20	CDCD	
COc1cc(C)cc(CN2CCN(C(C)=O)C[C@@H]2C)c1O	894034233	MZNBTVUMXYTKOY-LBPRGKRZSA-N	292.379	1.762	10	20	CDCD	
COc1cc(C)cc(CN[C@@H](C)C2(CO)CC2)c1O	895253164	BZBHRIDFVRCWTP-NSHDSACASA-N	265.353	1.960	10	20	CDCD	
CC[C@@H]1C(=O)NCCCN1Cc1cc(F)cc(F)c1O	898548660	YUPKTSMMUZIOKL-GFCCVEGCSA-N	284.306	1.771	10	20	CDCD	
CCOCCN(CC)C(=O)Cc1ccc(N)cc1	104200513	HSPGEURARKFFKK-UHFFFAOYSA-N	250.342	1.696	10	20	CDCD	
CC(=O)O[C@@H]1CCCN(C(=O)c2cccc(O)c2O)C1	790901735	OHCXLTXLKMEQFS-SNVBAGLBSA-N	279.292	1.266	10	20	CDCD	
CN(C)C[C@@](C)(O)CNCc1cc(F)cc(F)c1O	708534561	AHLDGBNUOGFDPW-ZDUSSCGKSA-N	274.311	1.073	10	20	CDCD	
O=C(NC/C=C/C1CC1)c1c(F)ccc(O)c1O	1326514916	CFRVSDXESHXLBG-OWOJBTEDSA-N	251.257	1.933	10	20	CDCD	
NC[C@@H]1CC[C@H](NC(=O)NCc2ccc(N)cc2)C1	1335680771	ZHUMHDBHPCFNOF-YPMHNXCESA-N	262.357	1.195	10	20	CDCD	
O=C(O)[C@@H](Cc1ncccn1)NCc1ccc2c(c1)CCO2	1346118212	UQYAMIYSGJOGLV-CYBMUJFWSA-N	299.330	1.197	10	20	CDCD	
COc1ccc(O)c(CN2CCN3C(=O)CC[C@@H]3C2)c1	211560691	WHVJFTZDNLXSMX-GFCCVEGCSA-N	276.336	1.207	10	20	CDCD	
O=C1CC[C@@H]2CN(Cc3cc(Cl)ccc3O)CCN12	211586667	SVWJHEXURBIVLR-GFCCVEGCSA-N	280.755	1.852	10	20	CDCD	
Cc1nn(C)c(C)c1[C@H](O)CNC(=O)c1cc(O)cs1	1529381521	WOPMFNCVKPUFIX-SNVBAGLBSA-N	295.364	1.267	10	20	CDCD	
CCN(c1ccc(/C=C\C(=O)O)cc1[N+](=O)[O-])[C@@H](C)CO	1610003961	FTZGLENDKUMARA-BXKUYDPTSA-N	294.307	1.900	10	20	CDCD	
C[C@@H]1OCC[C@@]1(O)CNCc1c(O)cccc1Cl	227968739	HIJWZYUALRXZMT-TVQRCGJNSA-N	271.744	1.675	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@H]2C[C@H]3CC[C@@H]2N3)c1O	1579136815	ULOZLVBMODEBQE-VWYCJHECSA-N	293.323	1.292	10	20	CDCD	
COc1ccc(N(C)CC(=O)N[C@H](C(=O)O)C(C)C)cc1	1599584588	YUEWPGFAMIDBNW-AWEZNQCLSA-N	294.351	1.357	10	20	CDCD	
C[C@@H](Nc1ccc(-c2nn[nH]n2)nn1)c1ccccc1O	1591729883	KPRWSIJJQYZZNP-MRVPVSSYSA-N	283.295	1.535	10	20	CDCD	
C[C@H](NC(=O)c1cccc(C(=O)O)n1)c1ccccc1O	1599900805	FKZSPWVBTAPXEI-VIFPVBQESA-N	286.287	1.976	10	20	CDCD	
CCNC(=O)CNCc1cc(Br)ccc1O	163754526	MSUOQLFISZKBND-UHFFFAOYSA-N	287.157	1.380	10	20	CDCD	
C[C@@H](NC(=O)C1CCN(C)CC1)c1ccccc1O	827937159	MPTHVINMRFLBCO-LLVKDONJSA-N	262.353	1.911	10	20	CDCD	
Nc1ccc(CNC(=O)[C@@H]2CCc3nccn3C2)cc1	1263304021	PXFCIGGCFOZAQQ-GFCCVEGCSA-N	270.336	1.344	10	20	CDCD	
C[C@H](CC(N)=O)NCc1ccc2c(c1)CCCN2C	135727627	PCZSIXCKQLYSMQ-LLVKDONJSA-N	261.369	1.423	10	20	CDCD	
COc1ccc(O)c(CNC[C@H]2CCN(C3CC3)C2)c1	37649068	QTYISILIWBTGKX-GFCCVEGCSA-N	276.380	1.975	10	20	CDCD	
CO[C@@H](C)CCNCc1cc2c(cc1O)OCO2	263791897	HTXNVTZOIFDXFM-VIFPVBQESA-N	253.298	1.636	10	20	CDCD	
CC(C)(C)[C@H](CCO)NC(=O)c1cccc(O)c1O	185906212	KSOAGHYVPWDCRW-NSHDSACASA-N	267.325	1.625	10	20	CDCD	
CCN(C)C(=O)[C@@H](C)NCc1cc2c(cc1O)OCO2	188493728	ZMDHZMVAPXCFIY-SECBINFHSA-N	280.324	1.077	10	20	CDCD	
COc1cccc(CN2CC[C@@H](C(=O)O)[C@@H](C)C2)c1O	312898622	RXMHFGVRAAXQCG-CMPLNLGQSA-N	279.336	1.943	10	20	CDCD	
COc1ccc(CN[C@H]2COC[C@@H]2OC)cc1C	289812510	NEFKPJFHJHWPSA-JSGCOSHPSA-N	251.326	1.507	10	20	CDCD	
C[C@H]1CN(C(=O)CN(C)c2ccc3c(c2)OCO3)CCO1	178879463	IWZDXJAHPSSIPQ-NSHDSACASA-N	292.335	1.099	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@H]1CCCO1	186438040	BSNIZMNRQDHPFQ-ZYHUDNBSSA-N	279.336	1.714	10	20	CDCD	
C[C@H](CCO)NC(=O)NCc1ccc(N(C)C)cc1	121072861	KGGHMEOLIMIHRZ-LLVKDONJSA-N	265.357	1.323	10	20	CDCD	
CN(C)c1ccc(CNS(=O)(=O)c2ccco2)cc1F	188645541	RGSNCQSSDGWEAI-UHFFFAOYSA-N	298.339	1.963	10	20	CDCD	
Cc1ccc(C(=O)NCC(C)(C)CCO)c(O)c1O	182811913	INUFEFARCAFWGA-UHFFFAOYSA-N	267.325	1.545	10	20	CDCD	
COc1cc(O)c(CN2CC[C@@H]([C@@H](C)O)C2)cc1OC	180865311	SJOGUTFUZKKDHW-GHMZBOCLSA-N	281.352	1.612	10	20	CDCD	
C[C@@]1(O)CCN(Cc2cc3c(cc2O)OCO3)C1	180198093	JIQGHZCUNRXCTJ-CYBMUJFWSA-N	251.282	1.078	10	20	CDCD	
O=C(CNCC(F)(F)F)NCc1ccccc1O	134614538	FPKSQWIDXZOTSK-UHFFFAOYSA-N	262.231	1.160	10	20	CDCD	
CCOc1ccc(N2CCN(S(=O)(=O)CC)CC2)cc1	243532730	OEIRNBAZMUYHGJ-UHFFFAOYSA-N	298.408	1.557	10	20	CDCD	
COC(=O)N(C)CCCC(=O)NCc1ccccc1O	264199812	FEPAEEDFYVWQGS-UHFFFAOYSA-N	280.324	1.487	10	20	CDCD	
O=C(NCC12CC(CO1)C2)c1c(F)ccc(O)c1O	530272815	CXVKBBTXXJLCKI-UHFFFAOYSA-N	267.256	1.146	10	20	CDCD	
CCOC[C@@H]1CN(C(=O)c2c(F)ccc(O)c2O)CCO1	530275210	SAURYBHFRIENSL-VIFPVBQESA-N	299.298	1.114	10	20	CDCD	
CNS(=O)(=O)N(C)Cc1ccc(N2CCCCC2)cc1	279266615	MUXPEGVUUGBQQC-UHFFFAOYSA-N	297.424	1.573	10	20	CDCD	
C[C@@H](NCCCCO)c1cc([N+](=O)[O-])ccc1O	279634657	ZNWLYWQLCICALP-SECBINFHSA-N	254.286	1.724	10	20	CDCD	
Cc1nc2n(n1)CCN(Cc1ccc(N(C)C)cc1)C2	271212941	ZEHKOXDKJCUBKK-UHFFFAOYSA-N	271.368	1.668	10	20	CDCD	
COc1cc(N2CC(N(C)C)C2)c([N+](=O)[O-])cc1OC	271710412	GPSQORHZEMETJS-UHFFFAOYSA-N	281.312	1.362	10	20	CDCD	
CC[C@@]1(C(=O)NCCc2ccc(N)cc2)CCNC1	378221696	LXUGFXQFXXHNGX-OAHLLOKOSA-N	261.369	1.317	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN(C)C[C@@H](C)OC)c1O	289768790	RFSWTEPUAFYVIP-SECBINFHSA-N	284.312	1.776	10	20	CDCD	
COC(=O)c1ncn(Cc2ccc(N(C)C)c(C)c2)n1	292548859	BWQDFBQFMAAHPQ-UHFFFAOYSA-N	274.324	1.487	10	20	CDCD	
Cc1cc(CN2CCCC[C@H]2C(N)=O)ccc1N(C)C	293577273	SYDNLCUCDIUKRR-HNNXBMFYSA-N	275.396	1.901	10	20	CDCD	
c1cc2c(cc1CN[C@@H]1CCc3nnnn3CC1)CCO2	817418926	LFCPUGJARWJQEB-CYBMUJFWSA-N	285.351	1.103	10	20	CDCD	
CC[C@H](CS(=O)(=O)Nc1ccc(O)cc1F)OC	817356447	LNTPNWUFONOMRS-SECBINFHSA-N	277.317	1.698	10	20	CDCD	
COc1ccc(O)c(CN2C[C@@H](C)C[C@@H](CO)C2)c1	817413270	VKJSBPCBLQYBAY-NWDGAFQWSA-N	265.353	1.851	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)NC[C@H](N)C2CC2)c1	817966016	ZEIGGCUPTBHOTR-ZANVPECISA-N	278.352	1.567	10	20	CDCD	
C[C@@H](NCC1(CC(N)=O)CC1)c1ccc(F)cc1O	817584922	AYPQDBSAKKSQTJ-SECBINFHSA-N	266.316	1.838	10	20	CDCD	
COc1ccc2c(c1)CCCN2CCCS(C)(=O)=O	728569613	PDLOLBPCCBEEGA-UHFFFAOYSA-N	283.393	1.883	10	20	CDCD	
C[C@@H]1CN(Cc2ccc(N(C)C)c(F)c2)CC(=O)N1	824909165	KBPWNCPBHQSKAK-SNVBAGLBSA-N	265.332	1.212	10	20	CDCD	
CS(C)(=O)=NS(=O)(=O)Nc1ccc(O)cc1Cl	901680969	ISXGSGWTKIGSAQ-UHFFFAOYSA-N	298.773	1.430	10	20	CDCD	
O=C(O)[C@H]1CC12CCN(C(=O)c1cc(O)cs1)CC2	739533406	BTVWEQMXKZBMGP-SECBINFHSA-N	281.333	1.781	10	20	CDCD	
CC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1	837705941	OETYGCHALQXXIC-UHFFFAOYSA-N	270.279	1.438	10	20	CDCD	
CO[C@@H]1CCC[C@H]1NC(=O)c1ccc(C)c(O)c1O	836848112	FSHFNSSQZNFYEH-GHMZBOCLSA-N	265.309	1.704	10	20	CDCD	
CC(C)(C)[C@H](O)C(=O)NCc1ccc(O)cc1O	910949151	GJTZWPBWHRQEEE-LLVKDONJSA-N	253.298	1.121	10	20	CDCD	
CC[C@@]1(CO)CCCN1C(=O)NCCc1ccc(N)cc1	841959754	QKDMVQKHEGPJGA-INIZCTEOSA-N	291.395	1.758	10	20	CDCD	
COCC[C@H](C)CNC(=O)/C=C\c1ccc(O)c(O)c1	840493826	HZFMRVDZOMTKRI-QZPNVGJNSA-N	279.336	1.900	10	20	CDCD	
COc1ccc(N2CCN(CC(C)(C)N)CC2)cc1F	843119637	XULULBJIAHBELR-UHFFFAOYSA-N	281.375	1.694	10	20	CDCD	
COCCNC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C	840238078	HPYYDAAQVTUIIK-ZDUSSCGKSA-N	293.411	1.938	10	20	CDCD	
CCOc1ccc(O)c(CNC[C@H]2CCCNC2)c1	841033781	ZJBGSTKCRKHOCM-LBPRGKRZSA-N	264.369	1.880	10	20	CDCD	
CNCCNCc1cccc(Br)c1O	841035368	IUQNVKRGCKKDGO-UHFFFAOYSA-N	259.147	1.464	10	20	CDCD	
CC[C@H](N)CNC(=O)NCc1ccc(N(C)C)c(F)c1	841758914	DNLYHPMCRHEVID-NSHDSACASA-N	282.363	1.428	10	20	CDCD	
CN[C@@H](C)C(=O)NCCCSc1nccs1	848401305	WSZXXYYTQXSEJR-QMMMGPOBSA-N	259.400	1.349	10	20	CDCD	
CCN(CC)C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1	842784662	KJODMXFIFQIHKV-CQSZACIVSA-N	278.400	1.804	10	20	CDCD	
COc1cccc([C@H](C)NCCCNC(C)=O)c1O	846138051	XRRUTRGGWSNPNP-JTQLQIEISA-N	266.341	1.578	10	20	CDCD	
OC[C@@H](NCc1ccc2c(c1)CCO2)[C@@H]1CCCOC1	840964299	YXGHSNGCLIWNBP-HUUCEWRRSA-N	277.364	1.499	10	20	CDCD	
O=C1O[C@H]2C[C@H]1N(Cc1cc3c(cc1O)CCCC3)C2	840109709	VLEVFBXSLRQTLX-UONOGXRCSA-N	273.332	1.771	10	20	CDCD	
COc1ccc(N(C)CCN(C)[C@@H]2CCOC2=O)cc1	844398742	BDNHWFCPFBCZQP-CQSZACIVSA-N	278.352	1.379	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)NCc2ncn(C)n2)c1	756779792	MAHQNTRLYYDFLU-SECBINFHSA-N	290.323	1.158	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)CNC(C)C)c1	852801961	HGDDJYXIEKHWPM-JTQLQIEISA-N	266.341	1.576	10	20	CDCD	
CCOc1cccc(CN(C)CCOCCN)c1O	699456149	AQIJKFJKLXSBHR-UHFFFAOYSA-N	268.357	1.198	10	20	CDCD	
O=C1N[C@H](c2cc(Cl)ccc2O)N2CCSC[C@H]12	765518248	KSWOTCYGGRHWBS-KOLCDFICSA-N	284.768	1.591	10	20	CDCD	
Nc1ccc(CCNC(=O)COCc2cccnc2)cc1	863584727	IBELHYASINYSKW-UHFFFAOYSA-N	285.347	1.539	10	20	CDCD	
C[C@@H](NC(=O)NCCn1cncn1)c1ccccc1O	868285622	IHGANCVPMXBOJW-SNVBAGLBSA-N	275.312	1.044	10	20	CDCD	
OCC[C@@H](NCc1ccc2c(c1)CCO2)C1CCOCC1	763466643	KWYDAPYLDULVFE-MRXNPFEDSA-N	291.391	1.889	10	20	CDCD	
CCCN(CC(=O)N1CCNCC1)Cc1ccccc1O	1118197761	BJJOQXUSCITANI-UHFFFAOYSA-N	291.395	1.036	10	20	CDCD	
Cc1ccc(CN[C@H]2CC(=O)N(C(C)C)C2)c(O)c1	877050131	FRDOEXLIZWFEST-ZDUSSCGKSA-N	262.353	1.800	10	20	CDCD	
COc1ccc(CN2C[C@H]3COC[C@H]3C2)c(O)c1OC	895925494	BAMZBUUHTPURFI-TXEJJXNPSA-N	279.336	1.488	10	20	CDCD	
Oc1cc(F)c(Cl)cc1CNC[C@H]1COCO1	894881546	NPGVWYVPPGDMGP-QMMMGPOBSA-N	261.680	1.647	10	20	CDCD	
COc1cc(C)cc(CN(C)CCNC(=O)C(C)C)c1O	894095723	RLKFLRWGUWTLQJ-UHFFFAOYSA-N	294.395	1.913	10	20	CDCD	
Cc1cc(O)c(CN2C[C@@H](O)C[C@]2(C)CO)cc1C	895327875	DZTUFHNHOVGCQR-DZGCQCFKSA-N	265.353	1.327	10	20	CDCD	
COc1ccc(CN[C@@H]2CCC[C@@H]2CO)c(O)c1OC	894769142	LYOITBMJICDGBA-VXGBXAGGSA-N	281.352	1.660	10	20	CDCD	
COc1cc(C)cc(CNC[C@@H](O)COCC(C)C)c1O	894203865	WNNXKCNJWJBGEQ-CQSZACIVSA-N	297.395	1.832	10	20	CDCD	
CN(C)c1ccc(CNC[C@@H](O)CO)c(C(F)(F)F)c1	793170658	TXEZBNHALSZRJK-LLVKDONJSA-N	292.301	1.214	10	20	CDCD	
COc1ccc(N(C)Cc2ncnn2CCF)cc1OC	799297624	PIANVRZLXBAFSE-UHFFFAOYSA-N	294.330	1.901	10	20	CDCD	
COC(=O)N(C)CCN[C@@H](C)c1cc(OC)ccc1O	689524406	DWKYDXCPOMZSCY-JTQLQIEISA-N	282.340	1.750	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CO[C@@H]2CCOC2)cc1F	1319358902	ACFGHCUUCTYBOH-GFCCVEGCSA-N	296.342	1.313	10	20	CDCD	
Cc1cc(COCC(=O)NCCc2ccc(N)cc2)no1	1263063291	RFWTZGUGQWWVNV-UHFFFAOYSA-N	289.335	1.441	10	20	CDCD	
CCN1CCCN(C(=O)NCc2ccc(N)cc2)CC1	1353540926	ZKNOPIRWLRSCFV-UHFFFAOYSA-N	276.384	1.506	10	20	CDCD	
C[C@H](NC(=O)[C@H]1CC[C@@H](C(=O)O)O1)c1ccccc1O	1607460456	GYZLQEKJYCWWEZ-AXTRIDKLSA-N	279.292	1.202	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN(CC(=O)O)C(C)C)c1O	1610278335	JRMHFMXGWRXZIO-UHFFFAOYSA-N	298.295	1.604	10	20	CDCD	
CC(C)Nc1nnccc1C(=O)NCc1ccccc1O	1548670554	HAVRYZOBAZIWKV-UHFFFAOYSA-N	286.335	1.933	10	20	CDCD	
Cc1nc(NCc2c(O)cccc2O)ccc1-c1nn[nH]n1	1592392615	QQDKTKRHOOTSMH-UHFFFAOYSA-N	298.306	1.593	10	20	CDCD	
CC[C@@H](CO)N[C@@H](CC)c1cccc(-c2nn[nH]n2)c1O	1590472272	RFRORQAZZKMDEK-CABZTGNLSA-N	291.355	1.384	10	20	CDCD	
NC(=O)c1ccc(C(=O)NCc2ccc(O)c(O)c2)cc1	159084305	VCDJTWDTXPNTPY-UHFFFAOYSA-N	286.287	1.127	10	20	CDCD	
CC[C@@H](NCCN1CCNC1=O)c1ccccc1O	808744431	ZVKKISOVIDIHCG-GFCCVEGCSA-N	263.341	1.458	10	20	CDCD	
CNCCN(C)C(=O)NCc1ccc(N(C)C)cc1	841651855	BOZNDDUOYIUXNR-UHFFFAOYSA-N	264.373	1.113	10	20	CDCD	
C[C@H]1C[C@@H](N(C)C(=O)Cc2ccc(N)cc2)CCN1C	237528273	LKHKLZSRCSCJRB-WFASDCNBSA-N	275.396	1.752	10	20	CDCD	
COc1ccc(O)c(CN2CC[C@@H](C)[C@@H](CN)C2)c1	163486359	HBBXTSLMFPTHAG-YPMHNXCESA-N	264.369	1.818	10	20	CDCD	
COc1cccc(CNCc2snnc2C)c1O	291813949	YMLBAYZITIZZJJ-UHFFFAOYSA-N	265.338	1.851	10	20	CDCD	
CCN(CC)C(=O)CN[C@@H]1CCc2cccc(O)c21	311732707	RISUDMVUOYGPBJ-GFCCVEGCSA-N	262.353	1.838	10	20	CDCD	
CO[C@]1(C(=O)O)CCN(Cc2cc(Cl)ccc2O)C1	703766867	AMSUPJHLUSPJOJ-CYBMUJFWSA-N	285.727	1.721	10	20	CDCD	
O=S1(=O)CCCC[C@H]1CNCc1ccccc1O	694592637	ZTLCXOYKHXYDSE-LBPRGKRZSA-N	269.366	1.449	10	20	CDCD	
CN1CCCc2cc(CNCc3ncnn3C)ccc21	389316329	ZRPZGKFMFNQUFR-UHFFFAOYSA-N	271.368	1.487	10	20	CDCD	
COCCN(Cc1cc2c(cc1O)OCO2)CC(F)F	101539776	VWDJTERLDHJYGE-UHFFFAOYSA-N	289.278	1.834	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCOC[C@H]1C	115854650	MWKXKHDPQIEOKB-CYBMUJFWSA-N	291.395	1.991	10	20	CDCD	
COCC[C@H](CO)N[C@@H](C)c1ccc(F)cc1O	305975881	ZUQSZAVGEIMCTM-GXSJLCMTSA-N	257.305	1.579	10	20	CDCD	
CC(C)NC(=O)CNCc1ccc(N2CCOCC2)cc1	35136022	VBZTXFRAMFVHHI-UHFFFAOYSA-N	291.395	1.137	10	20	CDCD	
COC(=O)C[C@H]1CCCN1Cc1cc(OC)ccc1O	180419160	AKIMXZMCVCPNRN-GFCCVEGCSA-N	279.336	1.928	10	20	CDCD	
CC(C)N(C)CCNC(=O)c1cccc(O)c1O	126386644	GZIPSXLGLBGEMD-UHFFFAOYSA-N	252.314	1.168	10	20	CDCD	
O=C(O)C[C@@H]1CCCN1Cc1cc(F)ccc1O	236430647	SPZNESFMTNUPLB-NSHDSACASA-N	253.273	1.970	10	20	CDCD	
Cn1cc(/C=C/C(=O)N2CCc3cc(C(=O)O)ccc32)cn1	314167516	BJXNHLNNUZOXLT-GORDUTHDSA-N	297.314	1.721	10	20	CDCD	
COC(=O)[C@@H](C)N1CCOc2cc(N(C)C)ccc21	130425825	HOERXMGUBJTTQW-SNVBAGLBSA-N	264.325	1.513	10	20	CDCD	
C[C@@H](NCc1ccccc1O)C(=O)NCC(F)(F)F	134229374	SVDRXTKXXOYEHU-MRVPVSSYSA-N	276.258	1.549	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)C1CN(C(C)=O)C1	191908360	MYKANKQMYNHAHZ-UHFFFAOYSA-N	290.363	1.609	10	20	CDCD	
C[S@](=O)CCNCc1ccc(N2CCCC2)cc1	134742220	XAWQJFPJNMTTKY-GOSISDBHSA-N	266.410	1.755	10	20	CDCD	
CC(=O)NCC1CCN(C(=O)Cc2ccc(N)cc2)CC1	224051586	OYHLKHNVJFHUNT-UHFFFAOYSA-N	289.379	1.186	10	20	CDCD	
COc1ccc(N2CCN([C@@H]3CCOC3=O)CC2)cc1F	84866037	SWCNHQRWTOHQSA-CYBMUJFWSA-N	294.326	1.272	10	20	CDCD	
O=S(=O)(C[C@H]1CCCCO1)Nc1ccc(O)cc1	182407166	ZZNQYVMGGBNDDY-GFCCVEGCSA-N	271.338	1.703	10	20	CDCD	
CC(C)n1ccc(C(=O)NCCc2ccc(O)c(O)c2)n1	269254534	YAQUVRGRSAFKHA-UHFFFAOYSA-N	289.335	1.848	10	20	CDCD	
Cc1ccc(C(=O)N2CC[C@@H]([C@@H]3CCOC3)C2)c(O)c1O	368084686	HMFNBTGAPHZEDT-VXGBXAGGSA-N	291.347	1.905	10	20	CDCD	
COC(=O)C1(CNC(=O)c2ccc(C)c(O)c2O)CC1	275285217	NROVWPOZBJGWIU-UHFFFAOYSA-N	279.292	1.089	10	20	CDCD	
CCOCCN[C@H](C)c1cc(C(=O)OC)ccc1O	273425008	TWSPOTAULNBSRY-SNVBAGLBSA-N	267.325	1.866	10	20	CDCD	
CN(CC1(O)CCCC1)C(=O)c1c(F)ccc(O)c1O	278879761	WJGXNVOFVGRDAX-UHFFFAOYSA-N	283.299	1.614	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@]2(O)CCSC2)cc1	270775469	HZXDZSHINOEGIS-AWEZNQCLSA-N	280.393	1.237	10	20	CDCD	
COc1ccc(CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)c(O)c1	373664082	BCWFJWFLDGSUCU-BZPMIXESSA-N	277.320	1.585	10	20	CDCD	
C[C@H](CF)NC(=O)NCc1ccc(N(C)C)cc1	289137117	TZGWIRCDOBYIEP-SNVBAGLBSA-N	253.321	1.910	10	20	CDCD	
O=C1N[C@H]2CN(Cc3cccc(Cl)c3O)CC[C@@H]2CO1	281119681	BYUBNMFWCHXWQL-PWSUYJOCSA-N	296.754	1.976	10	20	CDCD	
C[C@@H](NCc1cc(Cl)cc(F)c1O)C(=O)NCCF	800530835	VZWCFQKQXSRZJE-SSDOTTSWSA-N	292.713	1.749	10	20	CDCD	
CCOCCO[C@H](C)C(=O)NCc1ccccc1O	299533146	HCGWEXWUZVFUMT-LLVKDONJSA-N	267.325	1.450	10	20	CDCD	
NC(=O)CN1C(=O)/C(=C\c2cccc(F)c2)SC1=S	727177155	WVWYTILXAKOUHN-WEVVVXLNSA-N	296.348	1.512	10	20	CDCD	
COc1ccc(O)c(CN(C)C2(CO)CCOCC2)c1	827909362	USUCJAUMZJSRIN-UHFFFAOYSA-N	281.352	1.374	10	20	CDCD	
CN1CCC[C@H](CNC(=O)NCc2ccccc2O)C1	731115697	GKFFXCSCXNUJBQ-GFCCVEGCSA-N	277.368	1.533	10	20	CDCD	
CCOc1ccc(CNCCC[S@@](C)=O)c(O)c1	735084891	AIXMKVRTFGYFMD-GOSISDBHSA-N	271.382	1.649	10	20	CDCD	
COC(=O)[C@H]1C[C@@H](O)CN(Cc2ccc(N(C)C)cc2)C1	830865545	NYVJCDMIACWOTR-DZGCQCFKSA-N	292.379	1.108	10	20	CDCD	
C[C@]1(CNCc2cc([N+](=O)[O-])ccc2O)CCC(=O)N1	835062020	XEOPRQKVEGJDNI-CYBMUJFWSA-N	279.296	1.059	10	20	CDCD	
CN(C)c1ccc([C@H](N)CNC(=O)[C@]2(C)CC2(F)F)cc1	832267333	QPFBSWQRKSSFMP-OCCSQVGLSA-N	297.349	1.914	10	20	CDCD	
C[C@@H](C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1)C1CC1	832267450	SDMAHWIOOBWACZ-IAQYHMDHSA-N	275.396	1.915	10	20	CDCD	
Cc1cc(N(C)C)ccc1[C@H]1NC(=O)[C@H]2CSCCN21	840820913	UJYGSNMKGKRAOQ-KGLIPLIRSA-N	291.420	1.607	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@@H]1CN	841829311	ZMBWYBIPFGJQNC-OAHLLOKOSA-N	290.411	1.694	10	20	CDCD	
CC[C@H](NC[C@H](O)Cn1ccnn1)c1ccc(C)cc1O	840802355	IBZQLQGRAWXZJK-JSGCOSHPSA-N	290.367	1.394	10	20	CDCD	
CS(=O)(=O)C1CN(Cc2cc(Cl)ccc2O)C1	841887212	IKKLGGVPUJDTCW-UHFFFAOYSA-N	275.757	1.274	10	20	CDCD	
COc1cccc(O)c1CN[C@H]1CCN[C@H](C)C1	841060697	BEFWWYHPLIDZAR-MNOVXSKESA-N	250.342	1.631	10	20	CDCD	
O=C(NCc1cc(Cl)ccc1O)C1=COCCO1	846479240	IFCUZBZWDPLREW-UHFFFAOYSA-N	269.684	1.550	10	20	CDCD	
C[C@H](O)[C@H]1CCCN1C(=O)/C=C\c1ccc(O)c(O)c1	855870226	XEBYSTAQOZUKRY-VYELJELPSA-N	277.320	1.483	10	20	CDCD	
Cc1cc(CCC(=O)NCc2ccc(N)cc2)no1	927768461	RFRHRLUJFBOPGN-UHFFFAOYSA-N	259.309	1.814	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC[C@@H](O)CN(C)C(C)C)c1	851900169	QLRWOVWOBIGQRP-CHWSQXEVSA-N	296.411	1.753	10	20	CDCD	
C[C@@H](NCCn1cccn1)c1cc([N+](=O)[O-])ccc1O	756683628	GNEYITLSPXBRTQ-SNVBAGLBSA-N	276.296	1.848	10	20	CDCD	
C[C@@H](CC(N)=O)N[C@@H](C)c1cc([N+](=O)[O-])ccc1O	756660763	OXHBFBGOVGKJIK-YUMQZZPRSA-N	267.285	1.215	10	20	CDCD	
CS[C@@H](CO)[C@H](C)NC(=O)c1cc(O)cs1	769340435	JVVUAWOPBUUOMA-RCOVLWMOSA-N	261.368	1.296	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)CNC(=O)CCC(C)C)c1	862759525	FMBOUAUQVWQPFI-UHFFFAOYSA-N	292.379	1.869	10	20	CDCD	
CCOC(=O)C1(C(=O)NCc2cc(OC)ccc2O)CC1	769530645	JYAVMFZVPLUTTM-UHFFFAOYSA-N	293.319	1.360	10	20	CDCD	
CS(=O)(=O)[C@@H]1CCCN(C(=O)c2cc(O)cs2)C1	764486019	ZMTYOXODQAUCKR-SECBINFHSA-N	289.378	1.103	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@@H]2CCCCS2(=O)=O)c1	862757116	IAKAJSZNVFDWBN-ZDUSSCGKSA-N	297.376	1.284	10	20	CDCD	
CON(C)C(=O)[C@@H](C)NCc1cccc(Cl)c1O	862542415	OOMDNPIKHUNHNY-MRVPVSSYSA-N	272.732	1.544	10	20	CDCD	
CN(C[C@H]1CCCS(=O)(=O)C1)c1ccc(N)cc1	863558401	HDSDOLYFHVBDIO-LLVKDONJSA-N	268.382	1.530	10	20	CDCD	
C[C@@H]1OCC[C@@H]1NCc1ccc(N2CCN(C)CC2)cc1	771866693	UNKSGEXIAKEOGS-YOEHRIQHSA-N	289.423	1.705	10	20	CDCD	
O=C(O)C1CC(NCc2cccc(Cl)c2O)C1	874055604	DGHJYGMDAWMLAE-UHFFFAOYSA-N	255.701	1.998	10	20	CDCD	
C[C@@H](NS(=O)(=O)NC1CC1)c1ccc(N(C)C)cc1	773083910	LQYDBLVBIOHJPI-SNVBAGLBSA-N	283.397	1.400	10	20	CDCD	
O=S1(=O)CCCN1CCSc1nccs1	772848110	IPUVUHZRNTYBET-UHFFFAOYSA-N	264.397	1.271	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC[C@@H](O)CN2CCCC2)c1	775368803	GHTPJORSRMOWBH-CHWSQXEVSA-N	294.395	1.508	10	20	CDCD	
Nc1ccc(CCNC(=O)CCc2cccnc2)cc1	132694962	NDBIPKZHBPLGCD-UHFFFAOYSA-N	269.348	1.955	10	20	CDCD	
NC(=O)C1(NC(=O)/C=C\c2ccc(O)c(O)c2)CCCC1	779519097	BPXXXNYTBMPIDB-XQRVVYSFSA-N	290.319	1.025	10	20	CDCD	
CN(C)c1ccc(CNc2cncc3ncnn23)cc1	770500550	HEYWBOCWRPIYJW-UHFFFAOYSA-N	268.324	1.802	10	20	CDCD	
Cc1ccc([C@H](C)NCCN2CCNC2=O)c(O)c1C	886745326	UJLRKNSMABMLAP-LBPRGKRZSA-N	277.368	1.685	10	20	CDCD	
C[C@H]1CSCCN1C(=O)NCc1ccc(N)cc1	1120591751	HROARHSARBEVTN-JTQLQIEISA-N	265.382	1.916	10	20	CDCD	
C[C@@H]1NC(=O)[C@@H](C)N(Cc2cc(F)cc(F)c2O)[C@@H]1C	895119965	GXILHNXSJHQDLI-DJLDLDEBSA-N	284.306	1.768	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NCCN2CCC[C@@H]2C)c1	897515172	LDEQXUWICUTUTC-ZDUSSCGKSA-N	291.395	1.984	10	20	CDCD	
C[C@H](NC[C@H](O)[C@@H](C)O)c1ccc(N(C)C)cc1	717288014	MZTRAMCFOAAAKX-WDMOLILDSA-N	252.358	1.145	10	20	CDCD	
O=C(NCc1cccc(O)c1O)[C@]12CCC[C@H]1OCC2	1153798662	VANSURYXKBHNIT-DOMZBBRYSA-N	277.320	1.673	10	20	CDCD	
COc1cccc([C@H](C)NCc2nnc(C)n2C)c1O	1327322534	BKRUPIOONQPMTK-VIFPVBQESA-N	276.340	1.689	10	20	CDCD	
O=C(CO[C@@H]1CCOC1)NCc1cc(Cl)ccc1O	1329746741	UQWREIAYLSARQI-LLVKDONJSA-N	285.727	1.467	10	20	CDCD	
CNC[C@@H](C)CNCc1ccc(N(C)C)c(F)c1	1348514742	GPQHPRAWGUWPKQ-LLVKDONJSA-N	253.365	1.837	10	20	CDCD	
COC(=O)[C@H]1C[C@H](O)CN1Cc1cc(Cl)c(C)cc1O	1347396694	ZTGHCLMSCIUIDI-CMPLNLGQSA-N	299.754	1.462	10	20	CDCD	
O=C(O)C1(O)CN(Cc2ccc3ccccc3c2O)C1	1601726698	ZBAXQCJTRNFYRC-UHFFFAOYSA-N	273.288	1.177	10	20	CDCD	
COc1cc(Cl)cc(CNCC(=O)N(C)C)c1O	228677425	QVZZLUVRJZVZML-UHFFFAOYSA-N	272.732	1.232	10	20	CDCD	
C[C@H](CNCc1cc(F)cc(F)c1O)CC(=O)O	1776426523	MDYBAWVXYWYJGM-ZETCQYMHSA-N	259.252	1.871	10	20	CDCD	
O=S1(=O)CCN(Cc2cc3c(cc2O)CCCC3)CC1	160133463	IIBJQVCXRSABNP-UHFFFAOYSA-N	295.404	1.501	10	20	CDCD	
C[C@H](CC(N)=O)NCc1cccc(Br)c1O	160804948	PQIGNDXMCVWWEU-SSDOTTSWSA-N	287.157	1.508	10	20	CDCD	
O=S(=O)(CCNCc1cccc(Cl)c1O)C1CC1	840966386	TYGNSGGBRKHEIS-UHFFFAOYSA-N	289.784	1.712	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N2CC[C@H](CN)C2)cc1	841652775	GAWAKTAYSHQTAS-CYBMUJFWSA-N	276.384	1.243	10	20	CDCD	
C[C@@H]1CCN[C@@H](C(=O)N(C)Cc2ccccc2O)C1	126751642	IMSVPCXNGRAMCW-DGCLKSJQSA-N	262.353	1.739	10	20	CDCD	
CCOCCn1cc(COc2ccc(N)cc2)nn1	880952809	VUTYRNDVMZEVNP-UHFFFAOYSA-N	262.313	1.476	10	20	CDCD	
COc1ccccc1NC[C@H](O)CN1CCCC1	37874578	CXCVHDKMSBUGPX-LBPRGKRZSA-N	250.342	1.564	10	20	CDCD	
Cc1c(S(=O)(=O)Nc2ccc(O)cc2F)cnn1C	311476089	PVQXSJFKCLANEV-UHFFFAOYSA-N	285.300	1.374	10	20	CDCD	
CN(C)c1ccc(CNCC2CC3(C2)OCCO3)cc1	922803707	CKVGHYZDPIGKCH-UHFFFAOYSA-N	276.380	1.995	10	20	CDCD	
COc1cccc(CNCC2(OC)CCOCC2)c1O	123209465	WRRLPOMEXJLGIT-UHFFFAOYSA-N	281.352	1.686	10	20	CDCD	
CSC1(CNC(=O)c2cccc(O)c2O)CC1	280218895	WPQFKEKRWYHNHT-UHFFFAOYSA-N	253.323	1.723	10	20	CDCD	
Cn1c(CNC(=O)c2cccc(O)c2O)nc2ccccc21	188394190	VLNOAHBWZIETJM-UHFFFAOYSA-N	297.314	1.915	10	20	CDCD	
C[C@@H](NC[C@@H]1COCCN1)c1cc(F)ccc1O	530226677	PTXZDPBLSVSORU-MWLCHTKSSA-N	254.305	1.170	10	20	CDCD	
C[C@@H]1OCC[C@@]12CN(Cc1ccccc1O)CCO2	279748065	YEWJWVWWIXNRNO-SWLSCSKDSA-N	263.337	1.772	10	20	CDCD	
O=C(NCCOCC(F)F)NCc1ccccc1O	276310027	VPZFZOJTBJQLAW-UHFFFAOYSA-N	274.267	1.473	10	20	CDCD	
C[C@H](O)CC(C)(C)CNC(=O)c1c(F)ccc(O)c1O	276627411	SAICPZUFKAYWPN-QMMMGPOBSA-N	285.315	1.764	10	20	CDCD	
Cc1ccc(C(=O)NCC(C)(C)N(C)C)c(O)c1O	272703412	ZNFFZNVSBUPMSP-UHFFFAOYSA-N	266.341	1.476	10	20	CDCD	
CO[C@H](C)CCNC(=O)c1ccc(C)c(O)c1O	272723189	FROGOZNGZCJWEG-SECBINFHSA-N	253.298	1.561	10	20	CDCD	
CC(C)(CCCO)CNC(=O)NCc1ccccc1O	271356814	DZNOTKQSGDPDQT-UHFFFAOYSA-N	280.368	1.990	10	20	CDCD	
CN(C)c1ccc(CNC(=O)C(=O)N2CCCC2)cc1F	283253451	QPHAKUTWEGXANS-UHFFFAOYSA-N	293.342	1.130	10	20	CDCD	
COCC1(CNCc2ccccc2O)CCOCC1	291710732	LIDZWKJPLUOMLS-UHFFFAOYSA-N	265.353	1.925	10	20	CDCD	
COCC[C@H]1COCCN1Cc1cccc(C)c1O	291314725	RYXQFFWBGUTFJG-AWEZNQCLSA-N	265.353	1.938	10	20	CDCD	
Cc1cnc(COC(=O)/C=C\c2ccc(O)c(O)c2)nc1	808529868	WYOOPXDFGVTHRJ-HYXAFXHYSA-N	286.287	1.953	10	20	CDCD	
COC[C@H](O)CN[C@@H]1C[C@@H](C)c2c(F)ccc(O)c21	802310475	VYIXYZHNQVHVBZ-FXPVBKGRSA-N	269.316	1.677	10	20	CDCD	
COC(=O)C[C@@H](C)CC(=O)NCc1ccccc1O	809642620	IHBOSUJAMQLUTL-JTQLQIEISA-N	265.309	1.598	10	20	CDCD	
C[C@@H](NCCCN1CCNCC1)c1cc(F)ccc1O	817934764	CJFKGBNZCOOGNS-GFCCVEGCSA-N	281.375	1.477	10	20	CDCD	
CCn1nncc1C(=O)N[C@@H](C)c1cc(OC)ccc1O	815834913	FEBIGOSHPGSQEJ-VIFPVBQESA-N	290.323	1.503	10	20	CDCD	
COc1ccc(N(C)CCCS(C)(=O)=O)cc1OC	728570083	WFFKUJBXOMVUON-UHFFFAOYSA-N	287.381	1.575	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1C[C@@H](O)C1	820041677	QDFIXTSEURMUOH-XBXGTLAGSA-N	262.353	1.448	10	20	CDCD	
C[C@H]1C[C@@H](C)N(Cc2cc(O)n3ncc(C(=O)O)c3n2)C1	737745670	WYRWYGDKWJZCRJ-DTWKUNHWSA-N	290.323	1.363	10	20	CDCD	
Cc1cc(Br)c(O)c(CNCCCON)c1	904456300	ICLSFCGOQCNMAJ-UHFFFAOYSA-N	289.173	1.833	10	20	CDCD	
COc1ccc(O)c(CNC(=O)C[C@@H]2CCC(=O)N2C)c1	830544045	KHUGFLXGWOQXGI-NSHDSACASA-N	292.335	1.028	10	20	CDCD	
CN(C)c1ccc([C@@H](N)CNC(=O)C2(C)CC2)cc1	832267670	YXZNZDHLYMRGRE-ZDUSSCGKSA-N	261.369	1.669	10	20	CDCD	
COc1cc(CCC(=O)NCc2ccccc2O)on1	830526025	ATZKUUCGIPFBNL-UHFFFAOYSA-N	276.292	1.638	10	20	CDCD	
O=C1CC[C@H](C(=O)NCCCSc2nccs2)N1	733971675	APVJRTGIPROFQR-MRVPVSSYSA-N	285.394	1.020	10	20	CDCD	
CCOc1ccc(CNC[C@H]2CC(=O)N(CC)C2)c(O)c1	846093738	QKINTVHYIBFNEN-GFCCVEGCSA-N	292.379	1.749	10	20	CDCD	
C[C@H]1CCN(C(=O)NCCc2ccc(N)cc2)C[C@H]1CN	841956130	WFSOBLHSAMTRDU-GXTWGEPZSA-N	290.411	1.438	10	20	CDCD	
CNCCCNC(=O)N[C@H](C)c1ccc(N(C)C)cc1	841883917	XBJAOXAERLBZPN-GFCCVEGCSA-N	278.400	1.722	10	20	CDCD	
C[C@H]1CCCN(Cc2cc3c(cc2O)OCO3)[C@H]1CN	843052198	PCFGBJYNQUGFJY-JQWIXIFHSA-N	278.352	1.680	10	20	CDCD	
CCO[C@@H]1C[C@@H](NC(=O)Nc2ccc(N)cc2)[C@H]1OC	841296020	MTNIXEXYOIYWKN-JHJVBQTASA-N	279.340	1.583	10	20	CDCD	
Cc1cc(N(C)C)ccc1C[C@H](C)N1C(=O)CNC1=O	842264190	DYTYQSONBRSGIL-NSHDSACASA-N	275.352	1.544	10	20	CDCD	
C[C@H](NC(=O)N[C@H]1[C@@H]2CNC[C@@H]21)c1ccc(N(C)C)cc1	841882383	YGVJFWPAJXWAFB-BSLXNSKLSA-N	288.395	1.331	10	20	CDCD	
CCNS(=O)(=O)CCNCc1ccc(N(C)C)cc1C	840932123	NLXGYBDHKRTPSG-UHFFFAOYSA-N	299.440	1.090	10	20	CDCD	
CN(C)c1ccc(CNCC2OCCCO2)cc1F	922276180	DQORHZHWFIYPLE-UHFFFAOYSA-N	268.332	1.744	10	20	CDCD	
C[C@H]1COC[C@@H]1NCc1ccc(N2CCC(O)CC2)cc1	922641232	YOYHXCXMGNPRJM-GUYCJALGSA-N	290.407	1.772	10	20	CDCD	
CCN(C)c1ccc([C@H](C)NCCN2CC[C@H](O)C2)cc1	858600565	XHYMRHQKIMRXLS-YOEHRIQHSA-N	291.439	1.860	10	20	CDCD	
Cc1ccc(O)c([C@@H](C)NCc2nc(O)cc(CN)n2)c1	854231209	CDYCTHWGCMBLMV-SNVBAGLBSA-N	288.351	1.506	10	20	CDCD	
C[C@@H](NCC[N+](=O)[O-])c1ccc(N2CCOCC2)cc1	930210518	NEBBMKSCNHNQEK-GFCCVEGCSA-N	279.340	1.451	10	20	CDCD	
C[C@@H]1C[C@H](O)CN1Cc1cc(F)c(N(C)C)cc1F	862338983	JASKDNILILZIFG-KOLCDFICSA-N	270.323	1.986	10	20	CDCD	
CNC(=O)CCCN(C)Cc1cc(F)c(N(C)C)cc1F	862248872	BWEGTIIQBLSQMK-UHFFFAOYSA-N	299.365	1.989	10	20	CDCD	
CC[C@H](NCc1ccc(N2CCC(O)CC2)cc1)[C@@H](C)O	877568227	HXOJFPPIRMORDN-DYVFJYSZSA-N	292.423	1.897	10	20	CDCD	
O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1C[C@@H](O)C1	874001674	JLXBPLOSVASCQW-OTVXOJSOSA-N	274.364	1.674	10	20	CDCD	
C[C@](O)(CNC(=O)/C=C/c1ccc(O)c(O)c1)C1CC1	779525082	IIUCLIFVDLREAW-MIOHMZDASA-N	277.320	1.388	10	20	CDCD	
C[C@@H](NCC(=O)NCc1cccnc1)c1ccccc1O	879648453	PVRKRLIQFMZFEZ-GFCCVEGCSA-N	285.347	1.754	10	20	CDCD	
COC(=O)C(C)(C)N(C)Cc1cc(F)ccc1O	779007457	DLKNTRHWSSIGAU-UHFFFAOYSA-N	255.289	1.915	10	20	CDCD	
CCOCC[C@@H](O)CN[C@H](C)c1ccccc1O	879649570	WHIBZYLZOQGGRX-VXGBXAGGSA-N	253.342	1.830	10	20	CDCD	
C[C@H]1COCCCN1C(=O)/C=C\c1ccc(O)c(O)c1	779538088	UYECSWUYDRUEJI-QZPNVGJNSA-N	277.320	1.748	10	20	CDCD	
NC[C@H](NC(=O)NCc1ccc(N)cc1)C1CCCCC1	1120543111	VSPCLSSPULYZEC-HNNXBMFYSA-N	290.411	1.976	10	20	CDCD	
Cc1nc[nH]c1CNC(=O)/C=C\c1ccc(O)c(O)c1	779532933	XQKFISTYDJUSOR-HYXAFXHYSA-N	273.292	1.459	10	20	CDCD	
COc1ccc(O)c(CN2CCN(C(=O)C3CC3)CC2)c1	775646587	LCZKAKFFCPODBX-UHFFFAOYSA-N	290.363	1.455	10	20	CDCD	
Cn1nccc1[C@H]1CN(C(=O)c2cc(O)cs2)CCO1	887590986	YOOZCTHARXJTPM-LLVKDONJSA-N	293.348	1.401	10	20	CDCD	
Nc1ccc(CCNC(=O)NC/C=C\Cl)cc1	1120664696	LBRTUCQSGZHROD-XFSBKJJWSA-N	253.733	1.863	10	20	CDCD	
C[C@H]1CN(C(=O)NCc2ccc(N)cc2)C[C@@H](C2CC2)O1	1120591993	OGVJYEFVLYDMJO-NHYWBVRUSA-N	289.379	1.978	10	20	CDCD	
CNC(=O)C1(NC(=O)c2ccc(C)c(O)c2O)CCCC1	780920783	GABMDICIAXMBSN-UHFFFAOYSA-N	292.335	1.195	10	20	CDCD	
Cc1c[nH]cc(C(=O)NCCc2ccc(O)c(O)c2)c1=O	781430928	JMCCXRBOGLCPTJ-UHFFFAOYSA-N	288.303	1.067	10	20	CDCD	
OC[C@H]1CCCCCN1Cc1cc2c(cc1O)OCO2	895151906	MYKDKZNAELBUMH-GFCCVEGCSA-N	279.336	1.858	10	20	CDCD	
CC(=O)Nc1nc(C(=O)NCc2ccc(N)cc2)cs1	702087242	FWXIVRHBVCMDCX-UHFFFAOYSA-N	290.348	1.614	10	20	CDCD	
O=S1(=O)CCCC[C@H]1CNCc1cc(F)ccc1O	694546859	ZFQZJIRSWIIWLX-LBPRGKRZSA-N	287.356	1.588	10	20	CDCD	
COc1cc(Cl)cc(CN[C@H](CO)C2CC2)c1O	761205457	DUBRPZHXGJALDH-LLVKDONJSA-N	271.744	1.915	10	20	CDCD	
Nc1ccc(NC(=O)C(=O)N[C@H]2CCC[C@@H](F)C2)cc1	1326504190	ZBDLDKROAONWRO-SKDRFNHKSA-N	279.315	1.604	10	20	CDCD	
CN(Cc1ccn(C)n1)C(=O)NCc1ccc(N)cc1	1336290580	PLJYCURMDDDTMO-UHFFFAOYSA-N	273.340	1.344	10	20	CDCD	
C[C@@H](NC[C@@H]1CN(C)C(=O)O1)c1ccccc1O	1330706245	QGSBLXPMDFXSMK-NXEZZACHSA-N	250.298	1.493	10	20	CDCD	
CN(C(=O)[C@H]1CC(c2cnn(C)c2)=NO1)c1ccc(N)cc1	1263168413	MGHLVEYZBWSGEA-CQSZACIVSA-N	299.334	1.158	10	20	CDCD	
CN[C@@H](C)CCNC(=O)N[C@H](C)c1ccccc1O	1262095382	SJEVSWUIGHBBDF-WDEREUQCSA-N	265.357	1.750	10	20	CDCD	
NC[C@H]1CN(Cc2ccc(N3CCCC3)cc2)CCO1	1261482269	HAASLPNJYLCEKR-INIZCTEOSA-N	275.396	1.446	10	20	CDCD	
CO[C@H](C(=O)NCc1cccc(O)c1O)C1CC1	1349079794	QZIGXJVHSGWQSW-LBPRGKRZSA-N	251.282	1.139	10	20	CDCD	
O=C(NCc1cc(Cl)ccc1O)N[C@H]1CCOC1=O	1263745141	ZOPKZQZZXKFVAT-VIFPVBQESA-N	284.699	1.160	10	20	CDCD	
O=C(NCc1cccc(O)c1O)[C@H]1C[C@@H]1C(F)F	1352658145	QGYFCDAGFSGVFV-YUMQZZPRSA-N	257.236	1.615	10	20	CDCD	
Nc1ccc(CNC(=O)NCC2CCOCC2)cc1	1353316612	PKFUXFBOBVCQKV-UHFFFAOYSA-N	263.341	1.495	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H]1CCC[C@H]1C(=O)O	1608288417	SFVWZBIQWPFMBW-BHQLTRLXSA-N	291.303	1.481	10	20	CDCD	
C[C@@H](CCCO)N[C@@H](C)c1cccc(-c2nn[nH]n2)c1O	1589821884	YTRZJMQZHGQANS-UWVGGRQHSA-N	291.355	1.384	10	20	CDCD	
COc1cccc(CN[C@H](C(=O)O)C(C)(C)C)c1O	1599673888	QGXDBYXXRNSHSJ-GFCCVEGCSA-N	267.325	1.990	10	20	CDCD	
C[C@H]1[C@@H](C(=O)O)CCN1C(=O)NCCc1ccc(N)cc1	1594148686	DILDGSBENWYCBS-GWCFXTLKSA-N	291.351	1.316	10	20	CDCD	
COc1cccc(CNC(=O)N[C@H]2C[C@@H](C(=O)O)C2)c1O	1594129266	FQHKRKFDZHOSNV-AOOOYVTPSA-N	294.307	1.063	10	20	CDCD	
O=C(O)CCCOC(=O)/C=C/c1ccc(O)c(O)c1	1595052264	LUMDWYLEVNZYDX-GQCTYLIASA-N	266.249	1.519	10	20	CDCD	
COc1cc(C)cc(CN2C[C@@H](C)[C@H](C(=O)O)C2)c1O	1599391634	BDLFMNHMYUZCOY-ZYHUDNBSSA-N	279.336	1.862	10	20	CDCD	
C[C@H](CNCc1cc(F)cc(F)c1O)[C@@H](F)C(=O)O	1776426413	GSXGTBDFGJTBQH-LHLIQPBNSA-N	277.242	1.819	10	20	CDCD	
CCc1cccc(CN2CCS(=O)(=O)[C@H](C)[C@H]2C)c1O	848887708	CEGBNHVRDSOBBU-VXGBXAGGSA-N	297.420	1.962	10	20	CDCD	
CCN(Cc1ccc(C)cc1O)[C@@H](C)CS(C)(=O)=O	876738013	XZHJYVNKXCSRCM-LBPRGKRZSA-N	285.409	1.956	10	20	CDCD	
COc1cccc(CNCC[C@H](O)C2CC2)c1O	898205144	AEKRXQAIZCHBED-LBPRGKRZSA-N	251.326	1.651	10	20	CDCD	
COC(=O)c1cncc(NCc2ccccc2O)n1	167325691	FRGPZSACHIYBMV-UHFFFAOYSA-N	259.265	1.581	10	20	CDCD	
C[C@H]1OCCN(Cc2cc3c(cc2O)OCO3)[C@@H]1C	164090545	BYYZWCBDPZVUMB-NXEZZACHSA-N	265.309	1.730	10	20	CDCD	
CN(CCC(=O)O)Cc1ccc(N2CCOCC2)cc1	108245178	MHXCZTXYTALPRK-UHFFFAOYSA-N	278.352	1.430	10	20	CDCD	
COc1cc(Cl)cc(CNC[C@H](C)CO)c1O	228672166	DIDQDQFTYWSUAN-QMMMGPOBSA-N	259.733	1.772	10	20	CDCD	
CN1C(=O)C(=Cc2csc(C3CC3)n2)C(=O)N(C)C1=O	63274865	KFDVWVKBVDZHHQ-UHFFFAOYSA-N	291.332	1.454	10	20	CDCD	
COc1ccc(O)c(CN2CCC[C@](C)(O)C2)c1	180377455	DDGBCKLJRSAALN-AWEZNQCLSA-N	251.326	1.748	10	20	CDCD	
CN1CCCc2cc(CNC(=O)Cc3cncn3C)ccc21	187044301	PHQFCAVMRJWJRL-UHFFFAOYSA-N	298.390	1.661	10	20	CDCD	
CC1(C)[C@@H](NCc2ccc(N3CCOCC3)cc2)C[C@H]1O	129427066	KPDXKJKVNJPITP-JKSUJKDBSA-N	290.407	1.772	10	20	CDCD	
Cc1ccc(O)c(CN2CCC[C@@H]2C(=O)N(C)C)c1	122738395	AQOJXHLOMJCHSX-CYBMUJFWSA-N	262.353	1.753	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)[C@H]1CCC(=O)N1	120572943	NDDPIWPWQKUNIM-GFCCVEGCSA-N	276.336	1.409	10	20	CDCD	
CCC[C@](C)(N)C(=O)N(C)Cc1ccccc1O	37823789	SFJDZNPMASWXEX-AWEZNQCLSA-N	250.342	1.868	10	20	CDCD	
CC[C@@H](C)NC(=O)CCNCc1ccccc1O	38013537	OVCIJDCZRYOHNG-LLVKDONJSA-N	250.342	1.787	10	20	CDCD	
Cc1[nH]ncc1S(=O)(=O)Nc1ccc(O)cc1F	85203921	WMDWSDFFAWGNMM-UHFFFAOYSA-N	271.273	1.364	10	20	CDCD	
COCC(C)(C)N(C)C(=O)c1cccc(O)c1O	293582800	AVJREHSLAOPFKB-UHFFFAOYSA-N	253.298	1.595	10	20	CDCD	
CN1CC[C@H](C(=O)N2CCOc3cc(N(C)C)ccc32)C1	525217641	JQHLMCSCXMERRX-LBPRGKRZSA-N	289.379	1.430	10	20	CDCD	
C[C@@H](NCCCO)c1ccc(N2CCOCC2)c(F)c1	268698110	DCRRQOYEHOZWNO-GFCCVEGCSA-N	282.359	1.695	10	20	CDCD	
Oc1ccc(F)cc1CN1CCOC[C@H]1c1ncon1	369841352	QHRBPQBFISYZEA-NSHDSACASA-N	279.271	1.488	10	20	CDCD	
CCOCc1cc(CN[C@@H](CO)COC)ccc1OC	279812940	OTXWXXLMCCHJOK-AWEZNQCLSA-N	283.368	1.329	10	20	CDCD	
C[C@H]1C(=O)N(Cc2ccc(N(C)C)c(F)c2)C(=O)N1C	277902384	PPQJIAPPMGSIDN-VIFPVBQESA-N	279.315	1.674	10	20	CDCD	
C[C@@H](N[C@@H]1CCc2cccc(O)c21)C(=O)NCCF	296246976	BAPSIAWLFKZQKX-MWLCHTKSSA-N	266.316	1.443	10	20	CDCD	
CNC(=O)C1CN(Cc2ccc(N3CCCCC3)cc2)C1	297384408	JWJHBTYAWUDLJY-UHFFFAOYSA-N	287.407	1.855	10	20	CDCD	
CCOc1ccc(C(=O)OCC(=O)C(C)=O)cc1OC	808485458	UJJPWASHPVDDSW-UHFFFAOYSA-N	280.276	1.409	10	20	CDCD	
CN(C[C@@H](O)c1cccnc1)c1ccc2c(c1)OCO2	295013370	SVUAOCMSCRYGKO-CYBMUJFWSA-N	272.304	1.980	10	20	CDCD	
CC(=O)C(=O)CN1c2cccc3cccc(c23)S1(=O)=O	808012103	DWVKTJBMWBMRCL-UHFFFAOYSA-N	289.312	1.507	10	20	CDCD	
CCCOc1ccc(OCC(=O)OCC(=O)C(C)=O)cc1	808483452	MQSPYLRVUQBAQR-UHFFFAOYSA-N	294.303	1.556	10	20	CDCD	
O=C1CN(Cc2ccccc2O)C(=O)N1OC1CCC1	819168806	DAXWYELXBKLASE-UHFFFAOYSA-N	276.292	1.641	10	20	CDCD	
CCCONC(=O)NCc1cc(OC)ccc1O	828272042	DOJFGANYPDEOAZ-UHFFFAOYSA-N	254.286	1.542	10	20	CDCD	
CON(C)CC(=O)N(C)Cc1ccc(N(C)C)cc1	727238521	ASSQUHGMBRSJDM-UHFFFAOYSA-N	265.357	1.204	10	20	CDCD	
COCCn1cc(C(=O)N[C@H](C)c2ccccc2O)cn1	827956965	QOBSZINVFIAMSP-LLVKDONJSA-N	289.335	1.726	10	20	CDCD	
Cc1cccc(N(C)C(=O)c2c(C)c[nH]c2CC(N)=O)c1	900516740	BWOCKGXDYJPUQO-UHFFFAOYSA-N	285.347	1.936	10	20	CDCD	
COc1ccc(N(CCNS(C)(=O)=O)CC2CC2)cc1	831587699	HKBRFLGIUSCUSU-UHFFFAOYSA-N	298.408	1.461	10	20	CDCD	
Cc1ccc(C(=O)OCC(=O)NCC2CCC2)c(O)c1O	731245427	IQCMVKXRWPCKIT-UHFFFAOYSA-N	293.319	1.479	10	20	CDCD	
CN(C)c1ccc([C@H](N)CNC(=O)c2cccn2C)cc1	832284635	LGDMVLGBBDMGSL-CQSZACIVSA-N	286.379	1.521	10	20	CDCD	
Cn1ccc(C(=O)NCCCSc2nccs2)n1	733973313	ZYXUYAYBZHNZOS-UHFFFAOYSA-N	282.394	1.789	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1[C@H]2C(=O)CC[C@H]21	905447803	GRKAPTGKCLBFQH-FVQBIDKESA-N	286.375	1.936	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)N[C@@H]1CC12CCNCC2	831173148	OAQHSNBOLPOFRJ-CQSZACIVSA-N	289.379	1.676	10	20	CDCD	
CO[C@H]1CCC[C@@H]1C(=O)NCCc1ccc(N)cc1	911782498	KBBLQIQYTUUDNZ-KBPBESRZSA-N	262.353	1.743	10	20	CDCD	
Cn1ncc2c1CCCN(C(=O)c1cccc(O)c1O)C2	839803574	NKAUOIKUEBHBIK-UHFFFAOYSA-N	287.319	1.420	10	20	CDCD	
CCOC(=O)[C@@H](C(=O)NCc1ccc(O)cc1O)C(C)C	910957662	UVRMJEAIFDVGPE-CYBMUJFWSA-N	295.335	1.549	10	20	CDCD	
CCO[C@@H]1COC[C@H]1N[C@@H](C)c1ccc(F)cc1O	834905254	UYHPLQIBJNZHDU-MRCXROJRSA-N	269.316	1.986	10	20	CDCD	
O=C(O)CN(Cc1ccccc1O)C(=O)C[C@@H]1CCCO1	911488189	ZZVNMISGKICRDC-LBPRGKRZSA-N	293.319	1.375	10	20	CDCD	
CCCC[C@@H](CN)NCc1cc2c(cc1O)OCO2	841029231	MVKZDSKSPMRWFS-NSHDSACASA-N	266.341	1.728	10	20	CDCD	
CCN(CC(C)C)C(=O)C(=O)Nc1ccc(N)cc1	841015164	FNEHANPPQHYDTH-UHFFFAOYSA-N	263.341	1.712	10	20	CDCD	
COc1cc(O)c(CN[C@H](CN)C2CC2)cc1OC	841028237	MZOCMCIPYSPRCU-LLVKDONJSA-N	266.341	1.236	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)C(C)(C)CO)c1	847591014	MPRCRIMWIHKBIN-VIFPVBQESA-N	267.325	1.597	10	20	CDCD	
O=C(NC/C=C\CO)NCCCSc1nccs1	853854391	AAONPHTYPUQEQF-UPHRSURJSA-N	287.410	1.473	10	20	CDCD	
Cc1cc(O)c(CNCCO[C@@H]2CCOC2)cc1C	922938941	YFVXUROCDXQUPY-CQSZACIVSA-N	265.353	1.904	10	20	CDCD	
CN(CCNCc1ccc2c(c1)CCO2)CC(F)F	858336491	JKMSHRDVMOSSKS-UHFFFAOYSA-N	270.323	1.908	10	20	CDCD	
C[C@H](NC(=O)N[C@@H]1COC(=O)C1)c1ccc(N(C)C)cc1	922050719	FAYMQHHDEDRGLX-JQWIXIFHSA-N	291.351	1.428	10	20	CDCD	
CCCCCNC(=O)[C@@H](C)OC(=O)c1cccc(O)c1O	758558845	AMCHTFJSWXBMPV-SNVBAGLBSA-N	295.335	1.950	10	20	CDCD	
O=C(NCc1ccccc1O)C(=O)Nc1ccsc1	762641489	WOQYEVISPDWIPL-UHFFFAOYSA-N	276.317	1.709	10	20	CDCD	
CN(C)c1ccc(CNS(=O)(=O)c2ncc[nH]2)cc1F	866672807	RNAPPIKIJATZQU-UHFFFAOYSA-N	298.343	1.093	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)c2cnc(C3CC3)nc2N)c1	862754183	UDBXODQOFLCAFB-UHFFFAOYSA-N	298.346	1.880	10	20	CDCD	
CCC[C@H](O)C(=O)NCc1cccc(OC)c1O	934940599	QQOZYLGWLPTMPI-JTQLQIEISA-N	253.298	1.178	10	20	CDCD	
CN(C)c1ccc(CN2CCC(OCCO)CC2)cc1	769538154	TYPZXKCQCHSERV-UHFFFAOYSA-N	278.396	1.726	10	20	CDCD	
COc1cc(O)c(CNCc2ncc[nH]2)cc1OC	877674353	UQPOYBHYLOUACL-UHFFFAOYSA-N	263.297	1.422	10	20	CDCD	
CCN(CC)C(=O)CNC(=O)/C=C/c1ccc(O)c(O)c1	779503928	XFQSQQDVZMUPOZ-SOFGYWHQSA-N	292.335	1.096	10	20	CDCD	
C[C@@H](NC[C@H](O)COC[C@H]1CCCO1)c1ccccc1O	879648762	CSQOIHCSMPWWDU-HZSPNIEDSA-N	295.379	1.599	10	20	CDCD	
CNC(=O)NC(=O)CNc1ccccc1NC(C)C	871847364	PXUJWKCFXWEERF-UHFFFAOYSA-N	264.329	1.374	10	20	CDCD	
CO[C@@H]1CCOC[C@H]1NC(=O)/C=C\c1ccc(O)c(O)c1	889189854	MGQBLJNVOJWHMC-ORRWMOISSA-N	293.319	1.031	10	20	CDCD	
CCN(CC(=O)O)C(=O)NCc1ccc(N(C)C)c(F)c1	780490072	KLTLNSONHWHABL-UHFFFAOYSA-N	297.330	1.508	10	20	CDCD	
CCC[C@@H](NCc1c(O)cccc1OC)C(=O)OC	897835371	AIXLYYPYPIOODO-LLVKDONJSA-N	267.325	1.832	10	20	CDCD	
C[C@H](NC(=O)N1CC[C@@H]1CO)c1ccc(N(C)C)cc1	894287546	VNSWFNCGALPLGQ-SMDDNHRTSA-N	277.368	1.590	10	20	CDCD	
COC(=O)[C@H]1COCCN1Cc1cc(F)cc(F)c1O	894021330	UUDBSQQNCZWKSW-LLVKDONJSA-N	287.262	1.044	10	20	CDCD	
CN(C)c1ccc([C@H](CNCc2cc[nH]n2)N(C)C)cc1	898450856	GAKWOJUXQRGKRP-INIZCTEOSA-N	287.411	1.868	10	20	CDCD	
CN(C)c1ccc(CN[C@H](CCC(=O)O)C(=O)O)cc1	75423474	DPXWXKNYYGPGDY-GFCCVEGCSA-N	280.324	1.160	10	20	CDCD	
COc1cc(O)c(CN2C[C@H](O)C[C@H]2C)cc1OC	788268915	INYVAHPWGJCSNW-MWLCHTKSSA-N	267.325	1.365	10	20	CDCD	
CCN1CCC[C@H](NCc2ccc3c(c2)CCO3)C1=O	722357188	VSHYIZFWTLGMGA-AWEZNQCLSA-N	274.364	1.722	10	20	CDCD	
CN(CC[C@H]1CCS(=O)(=O)C1)Cc1ccccc1O	760855695	HSBYVXBPHCMCCI-LBPRGKRZSA-N	283.393	1.649	10	20	CDCD	
CC[C@@H](C)CN(C)C(=O)C(=O)N(C)Cc1ccccc1O	1326906769	LDEJNWNETDBTNI-GFCCVEGCSA-N	292.379	1.855	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H](C)n1ccnc1	1262338414	PPRZNNWASQAQCN-LLVKDONJSA-N	294.351	1.952	10	20	CDCD	
C[C@H]1CC[C@@H](CNC(=O)NCc2ccc(N)cc2)O1	1357434380	JEVWVOAFTDMTOB-GWCFXTLKSA-N	263.341	1.636	10	20	CDCD	
CN(C(=O)[C@H](c1cncn1C)N(C)C)c1ccc(N)cc1	1522215742	FUQZLXFVIJKBKP-AWEZNQCLSA-N	287.367	1.268	10	20	CDCD	
Nc1ccc(OCc2cn(CCCCC(=O)O)nn2)cc1	1601216874	UMGSOTCJSUGFTR-UHFFFAOYSA-N	290.323	1.694	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@@H](N)Cc2ccncc2)c1	1579723360	KLZRCBKJFPBLEK-AWEZNQCLSA-N	285.347	1.282	10	20	CDCD	
COc1ccc(O)c([C@H](C)N[C@@H](C)CC(=O)O)c1	1594105465	MKPVTEQKXNSETJ-IUCAKERBSA-N	253.298	1.915	10	20	CDCD	
CCc1cccc(CN[C@]2(CC(=O)O)CCOC2)c1O	1597586782	KEHOZWGJVCNRTQ-HNNXBMFYSA-N	279.336	1.678	10	20	CDCD	
C[C@H](N[C@H](CN)C1CC1)c1cc(C(=O)O)ccc1O	1593207342	CIYZQAXEWNNKOO-QPUJVOFHSA-N	264.325	1.478	10	20	CDCD	
CCN(C)c1ccc(CN[C@H](C(=O)O)[C@@H](C)O)c(C)c1	1776856060	BWEGPQQYGGLVIE-RISCZKNCSA-N	280.368	1.375	10	20	CDCD	
COC(=O)C[C@H](CC(=O)O)NCc1ccc(OC)c(C)c1	1777108248	XBJFMNHMOFEQQH-LBPRGKRZSA-N	295.335	1.500	10	20	CDCD	
COc1cc(N2CC[C@@H]([C@H](C)O)C2)c([N+](=O)[O-])cc1OC	168307223	RIQDAECWTSVLLQ-VHSXEESVSA-N	296.323	1.819	10	20	CDCD	
COc1cccc(CN2CCC[C@H](CNC(C)=O)C2)c1O	155547626	QICNMKDGPXWHID-CYBMUJFWSA-N	292.379	1.749	10	20	CDCD	
COc1cccc(O)c1CNC[C@@H](OC)C1CC1	815152928	AOPGICJLAHFFBM-CQSZACIVSA-N	251.326	1.915	10	20	CDCD	
CC[C@@H]1CN(C(=O)Cc2ccc(N)cc2)CC[C@H]1N	834646326	CLIBLNRAESCSNU-TZMCWYRMSA-N	261.369	1.397	10	20	CDCD	
C[C@H](O)C[C@@H]1CCCN1C(=O)c1cccc(O)c1O	126643010	LIXMVTLWSSZPFX-UWVGGRQHSA-N	265.309	1.473	10	20	CDCD	
COc1cccc(CNCC2=CCN(C)CC2)c1O	271824758	NQVZTEYTYXQCQF-UHFFFAOYSA-N	262.353	1.752	10	20	CDCD	
COc1cccc(CN[C@@H](C)Cn2ccnc2)c1O	37157904	AAYJTSLNUSFYSL-NSHDSACASA-N	261.325	1.776	10	20	CDCD	
C[C@H](NCCCS(C)(=O)=O)c1ccc(N(C)C)cc1	38047620	HKOJVSNUPLDBCX-LBPRGKRZSA-N	284.425	1.838	10	20	CDCD	
CC[S@@](=O)CCN[C@@H]1CCc2cccc(O)c21	310229420	GSLJYKZUQKZJTN-PIGZYNQJSA-N	253.367	1.738	10	20	CDCD	
CCN(CC)c1ccc(CNCC(=O)N(C)OC)cc1	397516267	ALZJNADUSKRBDP-UHFFFAOYSA-N	279.384	1.642	10	20	CDCD	
NC(=O)CC1CCN(Cc2cc3c(cc2O)OCO3)CC1	54543460	SNLSDKATMDVLRC-UHFFFAOYSA-N	292.335	1.208	10	20	CDCD	
C[C@@H]1CN(c2nnc(-c3sccc3O)n2C)CCCO1	1341281222	SQUSISLZVNHYAS-SECBINFHSA-N	294.380	1.864	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1cnccn1	115280444	CPPYZHDVAMNQTJ-UHFFFAOYSA-N	270.336	1.781	10	20	CDCD	
CC[C@H](C)NC(=O)CN(C)c1ccc2c(c1)OCO2	178882368	KVBDCVCSGXEIMW-JTQLQIEISA-N	264.325	1.766	10	20	CDCD	
COc1cccc(CNC[C@@H](O)c2ccco2)c1O	304528008	MEICFWYACXFKAR-LLVKDONJSA-N	263.293	1.817	10	20	CDCD	
OC[C@@H](NCc1cc2c(cc1O)OCO2)c1ccccc1	63000770	XRNPBMAQUKGLQT-CYBMUJFWSA-N	287.315	1.944	10	20	CDCD	
C[C@H](CNCc1cc2c(cc1O)OCO2)CN1CCCC1	60942140	MILPLCSGPFQBJV-GFCCVEGCSA-N	292.379	1.942	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2cn(C)cn2)c1	178241080	HDQUXKNRPVASKZ-UHFFFAOYSA-N	261.281	1.064	10	20	CDCD	
O=C(NC[C@H]1CCCS1)c1cccc(O)c1O	126489647	YHNBLCOWLWSPNZ-MRVPVSSYSA-N	253.323	1.723	10	20	CDCD	
C[C@H]1C(=O)NCCN1Cc1cc(Cl)cc([N+](=O)[O-])c1O	123432119	LYHNKHYXBKZEQA-ZETCQYMHSA-N	299.714	1.274	10	20	CDCD	
CCN1CCCN(C(=O)c2ccc(C)c(O)c2O)CC1=O	188076703	OPHHGGTZMZCGPQ-UHFFFAOYSA-N	292.335	1.101	10	20	CDCD	
COCC[C@@H](C)NC(=O)/C=C/c1ccc(O)c(O)c1	181008732	RGBVOJONUUZZMJ-DFVUYQKZSA-N	265.309	1.652	10	20	CDCD	
CC(C)N1C[C@H](NC(=O)Nc2ccc(N)cc2)CC1=O	217287827	CQKGWRDGTSFNAF-GFCCVEGCSA-N	276.340	1.400	10	20	CDCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C(F)F	219257942	WBPNBVMUAVZOCQ-UHFFFAOYSA-N	284.306	1.747	10	20	CDCD	
CN(C)c1ccc(CNCc2cncn2C)cc1F	237092875	IRDRARQJSGBOOX-UHFFFAOYSA-N	262.332	1.915	10	20	CDCD	
CCCOc1ccc(CN2CCNC(=O)[C@@H]2CC)c(O)c1	93050454	QQZPHOQLOBFVLX-AWEZNQCLSA-N	292.379	1.891	10	20	CDCD	
C[C@@H](C(=O)N(C)Cc1ccccc1O)n1cccn1	299238307	AWZCPVMYJJELHL-NSHDSACASA-N	259.309	1.808	10	20	CDCD	
CC(C)(C)OC(=O)CCNC(=O)c1cccc(O)c1O	279076891	DQIQDQBWEQEGTC-UHFFFAOYSA-N	281.308	1.559	10	20	CDCD	
CCOc1cccc(CN(CCOC)CC(=O)OC)c1O	271191929	PNFMWBHFRFKYDY-UHFFFAOYSA-N	297.351	1.412	10	20	CDCD	
CC(=O)C(=O)CSc1nnnn1C1CCCC1	289622149	LUEBDHUZWPTBAF-UHFFFAOYSA-N	254.315	1.038	10	20	CDCD	
C[C@H]1CN(Cc2cc(F)ccc2O)C[C@@]2(CCOC2)O1	280241873	KOHNFGLNHMOOSU-XHDPSFHLSA-N	281.327	1.911	10	20	CDCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@H]2N[C@@H]1COCC[C@H]1O	710860553	LMRRBRQHJDERLM-UMSGYPCISA-N	277.364	1.988	10	20	CDCD	
C[C@H](NCCN)c1cc(Br)c(F)cc1O	817935515	XGYMLXXOIMPMIP-LURJTMIESA-N	277.137	1.903	10	20	CDCD	
C[C@H](NC(=O)N1CCO[C@@H]2C[C@@H]21)c1ccc(N(C)C)cc1	813719040	JVBJOGUBOBWBQH-TUKIKUTGSA-N	289.379	1.996	10	20	CDCD	
O=C(NCCCSc1nccs1)N1CCO[C@H]2C[C@H]21	813681875	UTOCNTHDVPWBBV-ZJUUUORDSA-N	299.421	1.808	10	20	CDCD	
O=C(NCCOC1CCCC1)c1c(F)ccc(O)c1O	825503908	JFYKQYVVXDWOLH-UHFFFAOYSA-N	283.299	1.926	10	20	CDCD	
NC(=O)[C@H]1CCCN1Cc1cc(Cl)c(F)cc1O	824960492	XKXJBNOREYIDLA-SNVBAGLBSA-N	272.707	1.634	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)c1cnn(CC2CC2)c1	828912100	ZKHVDTJDUAHIEP-UHFFFAOYSA-N	287.319	1.634	10	20	CDCD	
COc1cc(O)c(CN2CC[C@H](CCN)C2)cc1OC	904405647	MBMXTOTWLFGKNK-NSHDSACASA-N	280.368	1.580	10	20	CDCD	
CC(C)(C)N1CC[C@H]1C(=O)NCc1ccc(O)c(O)c1	901130598	DKZSHAGIJZYYGF-NSHDSACASA-N	278.352	1.587	10	20	CDCD	
C[C@@H](NC(=O)CS(=O)(=O)C1CC1)c1ccccc1O	827952458	SWTFMIUDSKQFEI-SECBINFHSA-N	283.349	1.147	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)CCCNC(=O)O	738402267	NHEZBKFMEFKEMD-UHFFFAOYSA-N	293.367	1.725	10	20	CDCD	
C[C@H]1C[C@H](NC(=O)c2c(F)ccc(O)c2O)CS1	839829814	KIZCZQOTBXSXCF-BQBZGAKWSA-N	271.313	1.861	10	20	CDCD	
CCOC(=O)CCCNC(=O)c1cc(O)cs1	732268242	IZVQWUZOQKMSHA-UHFFFAOYSA-N	257.311	1.527	10	20	CDCD	
CC[C@@H](C)CN(C)Cc1cc(O)n2ncc(C(=O)O)c2n1	737776564	OOTPHKCMZRKZSM-SECBINFHSA-N	292.339	1.611	10	20	CDCD	
Cc1ccc(C(=O)N2CC[C@@H](CCCO)C2)c(O)c1O	837191515	IBVJDKIIUXIHNA-LLVKDONJSA-N	279.336	1.641	10	20	CDCD	
C[C@@H]1C[C@@H](NCCCON)c2c(O)ccc(F)c21	902422958	HMVOXYALIQZNKG-PSASIEDQSA-N	254.305	1.950	10	20	CDCD	
COCCNC(=O)C1(NCc2cc(C)ccc2O)CC1	839191781	FIVHQDRVMSLEJY-UHFFFAOYSA-N	278.352	1.085	10	20	CDCD	
COc1cccc(CNC(=O)[C@@H]2CC(C)=NO2)c1O	830541474	YNQVFZBNJMDZHC-NSHDSACASA-N	264.281	1.182	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2ccnc(C(=O)O)c2)cc1	830639998	WYAXJXSCVLPGKB-UHFFFAOYSA-N	299.330	1.776	10	20	CDCD	
CCC[C@](C)(O)C(=O)NCc1ccc(O)cc1O	910949120	FNULPSVMZAFFKC-ZDUSSCGKSA-N	253.298	1.265	10	20	CDCD	
COCCN1C(=O)C2(CC2)N[C@H]1c1cccc(F)c1O	840837375	RQVHLWFOIMKQRD-GFCCVEGCSA-N	280.299	1.141	10	20	CDCD	
COc1cccc(CNC(=O)N[C@H](CN)CC(C)C)c1O	841951005	KXMZOKXBJHREDB-LBPRGKRZSA-N	295.383	1.573	10	20	CDCD	
COc1cccc([C@@H](C)N[C@@H](C)c2nncn2C)c1O	846148337	ZRESAWRHUPLLIJ-ZJUUUORDSA-N	276.340	1.941	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN[C@@H]1C(=O)NCC[C@@H]1C	840942483	UMAHFRWLGMITAH-NHYWBVRUSA-N	275.396	1.675	10	20	CDCD	
COc1cccc([C@H](C)NC[C@@H]2CCCNC2=O)c1O	846170044	VDJXIBUASCTJOY-QWRGUYRKSA-N	278.352	1.578	10	20	CDCD	
CCC[C@@H](O)CC(=O)NCc1ccc(N(C)C)cc1	750091824	FCAGBSVHSYRJNY-CQSZACIVSA-N	264.369	1.920	10	20	CDCD	
COc1ccc(N(C)Cc2ncnn2C)cc1OC	750038881	LQEKCPRSGDCPPA-UHFFFAOYSA-N	262.313	1.469	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCc2ncnc(O)c2C1	750793879	FYNSZRQDKSCFKA-UHFFFAOYSA-N	277.305	1.148	10	20	CDCD	
CCO[C@H]1COCC[C@H]1NC(=O)NCc1ccccc1O	759299361	DXUMCEAXFTWYKC-OCCSQVGLSA-N	294.351	1.385	10	20	CDCD	
CN1CCc2cc([C@@H]3NC(=O)[C@H]4CSCCN43)ccc21	765522044	ZSBVKPQYDWGCHQ-ZIAGYGMSSA-N	289.404	1.225	10	20	CDCD	
O=C1N[C@@H](C(=O)NCc2cc(Cl)ccc2O)CCO1	862131292	XIBOQEXSPYBJID-SECBINFHSA-N	284.699	1.160	10	20	CDCD	
CO[C@]1(CNCc2cc([N+](=O)[O-])ccc2O)CCOC1	763480370	MNZJJCNWSDYKOL-ZDUSSCGKSA-N	282.296	1.196	10	20	CDCD	
C[C@H](NC(=O)NC[C@H]1C[C@@H](O)C1)c1ccc(N(C)C)cc1	875507890	MPKWMEYCWKUJAO-SLEUVZQESA-N	291.395	1.884	10	20	CDCD	
CC1(C)OC[C@@H](CNC(=O)c2cc(O)cs2)O1	769218418	VPZXAPUNFONYIP-MRVPVSSYSA-N	257.311	1.335	10	20	CDCD	
Cc1cccc(O)c1CN1CCN([C@@H]2CCC[C@@H]2O)CC1	876688703	VYOASUSSSKUQLJ-WBVHZDCISA-N	290.407	1.732	10	20	CDCD	
CNC[C@@H](C)CN[C@H](C)c1cc(OC)ccc1O	1118060192	XOIFDCFVZKGAPS-GHMZBOCLSA-N	252.358	1.907	10	20	CDCD	
CCn1cnc2c1CCN(C(=O)c1cccc(O)c1O)C2	886614764	JLVOMDAQBYOJNM-UHFFFAOYSA-N	287.319	1.513	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)CNC(=O)OC(C)(C)C	63467606	WFSWJTBZLRKWEV-UHFFFAOYSA-N	294.351	1.875	10	20	CDCD	
CCOC(=O)C1(CNCc2cc(F)ccc2O)CC1	770665974	QUWGYGUNAGTKNR-UHFFFAOYSA-N	267.300	1.964	10	20	CDCD	
COCC1(NCc2cc(F)cc(F)c2O)CCOCC1	883129694	BJJWZJOSPFSYNL-UHFFFAOYSA-N	287.306	1.956	10	20	CDCD	
Nc1ccc(OCc2cn(CCC3OCCO3)nn2)cc1	881194586	OEFROTMRLBTDCS-UHFFFAOYSA-N	290.323	1.202	10	20	CDCD	
COc1ccc(O)c(CN2CCC[C@@]2(C)CO)c1	789557457	ICCKMRAMMJTZRS-AWEZNQCLSA-N	251.326	1.748	10	20	CDCD	
COc1cc(C)cc(CN2CCSC[C@@H]2CO)c1O	895471673	ZSZUOOULHYBALZ-LBPRGKRZSA-N	283.393	1.619	10	20	CDCD	
COc1ccc(CNC(=O)c2ncccc2O)c(O)c1	794381070	JYUUJUZOGWCYDO-UHFFFAOYSA-N	274.276	1.431	10	20	CDCD	
COc1ccc(O)c(CNC(=O)NC[C@@H]2CCSC2)c1	790739596	ITJNTXALGDQECV-JTQLQIEISA-N	296.392	1.953	10	20	CDCD	
C[C@@H]1c2nncn2CCN1C(=O)c1cc(O)cs1	792509085	IRFGEVXDXDESMH-SSDOTTSWSA-N	264.310	1.262	10	20	CDCD	
COc1ccc(CNC(=O)c2cccc(O)c2O)c(O)c1	794381689	RACANYMMFMIFSO-UHFFFAOYSA-N	289.287	1.742	10	20	CDCD	
CN(C)c1ccc(CN2CCC[C@@](O)(C(=O)O)C2)cc1	1777039518	WDEDZYRKOPOFJV-HNNXBMFYSA-N	278.352	1.164	10	20	CDCD	
CC[C@@H](CNC(=O)NCc1ccc(N)cc1)OC	1335525743	OVWHPOYWSXVNLH-LBPRGKRZSA-N	251.330	1.493	10	20	CDCD	
CON(C(=O)/C=C\c1ccc(O)c(O)c1)C(C)C	1347698350	BRSPZNATHPREHY-ALCCZGGFSA-N	251.282	1.909	10	20	CDCD	
CC(C)OC[C@H](CO)N(C)C(=O)NCc1ccc(N)cc1	1262603678	RDFWBBKXSJKKOF-AWEZNQCLSA-N	295.383	1.196	10	20	CDCD	
Cc1ccc(O)c(CN[C@@H](C(=O)O)c2ccn(C)n2)c1	1600464676	INDYQJQNCFFLQA-CYBMUJFWSA-N	275.308	1.350	10	20	CDCD	
O=C(O)[C@@H](CC(F)F)NCc1cccc(F)c1O	1601639069	GPABAQSGBVWTJQ-MRVPVSSYSA-N	263.215	1.729	10	20	CDCD	
O=C(O)[C@H]1COCCN1Cc1cc(Cl)cc(F)c1O	1610746771	KAWVGSUWAJGILZ-SNVBAGLBSA-N	289.690	1.470	10	20	CDCD	
Cc1c(NC(=O)NCc2ccc(N)cc2)nnn1C	1579541676	DECYEEPFMGOMKZ-UHFFFAOYSA-N	260.301	1.027	10	20	CDCD	
COc1ccc(N(C)Cc2c(C(=O)O)cnn2C)cc1F	1594101126	HBIFLQVKEPZWRL-UHFFFAOYSA-N	293.298	1.902	10	20	CDCD	
CN(C)c1ccc(CN2C[C@@H](O)C[C@@H](C(=O)O)C2)cc1F	1598317728	KQTPAIXFPKWNIZ-NEPJUHHUSA-N	296.342	1.159	10	20	CDCD	
CCOc1ccccc1NC[C@H](O)CO[C@@H](C)COC	233774926	CWCLTNOOSWKHNU-STQMWFEESA-N	283.368	1.910	10	20	CDCD	
CC[C@@H]1NCC[C@H]1C(=O)N[C@H](C)c1ccccc1O	870988712	XNGDEOATOKECQJ-RTXFEEFZSA-N	262.353	1.958	10	20	CDCD	
C[C@@H](NCCN1CCOCC1)c1ccc(N(C)C)cc1	37212797	HWVKLBPGECARNC-CQSZACIVSA-N	277.412	1.735	10	20	CDCD	
COc1cccc(CNC[C@H]2CCN(C3CC3)C2)c1O	37649334	QMTFHEACRIPGKH-GFCCVEGCSA-N	276.380	1.975	10	20	CDCD	
COCC[C@@H](CO)NCc1cc(Cl)cc(OC)c1O	281197134	ISFNXYUNTPIMCT-NSHDSACASA-N	289.759	1.541	10	20	CDCD	
COC[C@@H](O)CCN[C@@H](C)c1cc(OC)ccc1O	186202637	XCCADAVDHANGON-QWRGUYRKSA-N	269.341	1.449	10	20	CDCD	
Nc1ccc(CNS(=O)(=O)c2cccnc2Cl)cc1	1580447222	VMLHCBRQFQFKIV-UHFFFAOYSA-N	297.767	1.796	10	20	CDCD	
CO[C@@H](C)C(=O)N(C)Cc1ccc(N(C)C)cc1	55214822	NQWVYJYPKSKVGW-NSHDSACASA-N	250.342	1.746	10	20	CDCD	
Cc1ccc(C(=O)N2CCC[C@@H](O)C2)c(O)c1O	179420164	OLKMPDMNSCFXDU-SECBINFHSA-N	251.282	1.003	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc(F)n1	186424545	QOGWFZCIKOVJID-SECBINFHSA-N	290.294	1.993	10	20	CDCD	
COC(=O)COc1ccc(N(C)CCCCCO)cc1	183797613	QDPHAWWLFSGSGQ-UHFFFAOYSA-N	281.352	1.837	10	20	CDCD	
COCC(=O)N1CCN(Cc2c(O)cccc2Cl)CC1	128702765	OCZRRHVXFHBKBP-UHFFFAOYSA-N	298.770	1.336	10	20	CDCD	
CCCN(C)C[C@@H]1CCN(C(=O)c2cccc(O)c2O)C1	193107770	CMILDOFPBYEWJC-LBPRGKRZSA-N	292.379	1.902	10	20	CDCD	
O=C(NCCCOCC(F)(F)F)c1cccc(O)c1O	192979856	OOHMABSZIOIDEN-UHFFFAOYSA-N	293.241	1.797	10	20	CDCD	
CC(C)S(=O)(=O)CCNCc1cccc(Cl)c1O	290222509	RWZWIUWHLJRSKM-UHFFFAOYSA-N	291.800	1.958	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)NCCOCC1CC1	264519972	HUOLLTZZJJTVNF-UHFFFAOYSA-N	278.352	1.960	10	20	CDCD	
CO[C@H](CNC(=O)NCc1ccccc1O)C(C)C	266839999	OMGSJHJDKQENOA-CYBMUJFWSA-N	266.341	1.862	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@H]2CCSC2)c1O	278540037	XFBLDOGCQMIZFI-VIFPVBQESA-N	284.337	1.904	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@@H](C)C[S@](C)=O)c1	273438803	MODQIVTZTCFJCB-VUPYVKPUSA-N	299.392	1.596	10	20	CDCD	
COC[C@H](CCO)N[C@@H](C)c1cc(C(=O)OC)ccc1O	273371107	CLZIQNNOSNZIRP-JQWIXIFHSA-N	297.351	1.227	10	20	CDCD	
CCN(CC)c1ccc(CN(C)[C@@H]2COC[C@H]2O)cc1F	289712914	OYKNKRLFIFXLFM-HZPDHXFCSA-N	296.386	1.863	10	20	CDCD	
O=[N+]([O-])c1ccc(O)c(CNC[C@H](CO)[C@H]2CCOC2)c1	280421478	ZGKCDNKTCWKULU-CMPLNLGQSA-N	296.323	1.035	10	20	CDCD	
COc1ccc(COC(=O)c2ccc(C)c(O)c2O)nn1	801250445	DAFJRFNWPLJDLI-UHFFFAOYSA-N	290.275	1.562	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NCC2(O)CCCC2)cc1	299059703	RAKRHZVKZAFYTJ-UHFFFAOYSA-N	291.395	1.857	10	20	CDCD	
Cc1cc(CN(CCO)C[C@@H](C)O)ccc1N(C)C	293652647	SNFCJGUMEJNZAA-CYBMUJFWSA-N	266.385	1.236	10	20	CDCD	
COC[C@H](O)CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1	801763852	OJKHUSLXOZPKTG-SMDDNHRTSA-N	295.383	1.120	10	20	CDCD	
COc1cccc(CNC(=O)CCC(C)(C)[N+](=O)[O-])c1O	294772099	BXVHCBLPBYBRRL-UHFFFAOYSA-N	296.323	1.853	10	20	CDCD	
CC(=O)C(=O)COC(=O)[C@H]1[C@H](C=C(C)C)C1(C)C	808493073	QLGUKMHWCQLMEO-CMPLNLGQSA-N	252.310	1.926	10	20	CDCD	
CN(Cc1cc2c(cc1O)OCO2)C[C@@H](O)C(F)(F)F	809751603	TYLFMGTZBNMSJC-LLVKDONJSA-N	293.241	1.476	10	20	CDCD	
C[C@@H]1C(=O)N(C)CCN1Cc1cc(Cl)c(F)cc1O	816574701	PRSVGDHGWQIJRE-MRVPVSSYSA-N	286.734	1.847	10	20	CDCD	
Cc1cc(CN2C[C@H](CO)OC[C@@H]2C)ccc1N(C)C	815063271	YYHYBRHBEDZNBH-DZGCQCFKSA-N	278.396	1.643	10	20	CDCD	
CCOCC[C@@H](O)CNCc1ccc(N2CC=CC2)cc1	819095837	ILXSFJCHGDNARU-QGZVFWFLSA-N	290.407	1.940	10	20	CDCD	
Cc1cccc(CNC[C@H]2CCCN2CCCO)c1O	824565473	WOPGESXFLBHHKY-OAHLLOKOSA-N	278.396	1.637	10	20	CDCD	
CCC(=O)C1(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)CC1	828884512	DUIXTYUZNYGDMA-JTQLQIEISA-N	291.347	1.904	10	20	CDCD	
O=C(N[C@@H](CO)C1CCCC1)c1c(F)ccc(O)c1O	832258532	PGFZCERVWIDLGY-JTQLQIEISA-N	283.299	1.518	10	20	CDCD	
C[C@H](NC(=O)c1cc(O)cs1)C(=O)N1CCCC[C@@H]1C	732282340	MKANVABJCNHXFY-UWVGGRQHSA-N	296.392	1.973	10	20	CDCD	
Oc1cccc2c1[C@@H](NC[C@H](O)COCC1CC1)CC2	834552199	XOVVRHPRTVVZHK-KBPBESRZSA-N	277.364	1.757	10	20	CDCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCCCO	840486503	AXAZASGPPWGLJQ-CYBMUJFWSA-N	293.411	1.674	10	20	CDCD	
Cn1nnc2c1CC[C@@H](NCc1c(O)cccc1Cl)C2	848565788	MCCDWUPKNCDOQQ-SECBINFHSA-N	292.770	1.821	10	20	CDCD	
CO[C@@H]1COC[C@H]1NCc1cc(Cl)c(F)cc1O	843427585	ICYYIBOSHVYWOS-ZYHUDNBSSA-N	275.707	1.688	10	20	CDCD	
COc1ccc(CNC(=N)NC[C@H]2CCCO2)c(O)c1	849024834	BLQHQWWKPJXQPV-GFCCVEGCSA-N	279.340	1.194	10	20	CDCD	
CC1(NC(=O)C(=O)Nc2ccc(N)cc2)CCCC1	841120107	SLBCXDUPPWGIEQ-UHFFFAOYSA-N	261.325	1.656	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1CCO[C@@H]([C@H](C)N)C1	843056671	UZAPJJGTDVSXGY-XJKSGUPXSA-N	277.412	1.609	10	20	CDCD	
OC[C@@H](NCc1cccc(Cl)c1O)[C@H]1CCCOC1	840964639	ZLOMOSVIHLIYSI-WCQYABFASA-N	285.771	1.923	10	20	CDCD	
CCN[C@H](C)CNCc1ccc(OCC)cc1O	841065696	LCZFYCICKKLAHM-LLVKDONJSA-N	252.358	1.879	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNC[C@@H]2CCCN2)c1O	841036593	RRSYUDUSHYPWRF-JTQLQIEISA-N	281.312	1.151	10	20	CDCD	
Cc1cc(CN2CCCO[C@@H](CN)C2)ccc1N(C)C	923378986	MRSBZJIIABIGHE-HNNXBMFYSA-N	277.412	1.611	10	20	CDCD	
CN(C)c1ccc([C@@H](N)CN[C@@H]2CCNC2(C)C)cc1	925693858	SCXYVHKUUCZJGD-LSDHHAIUSA-N	276.428	1.483	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NCCN2CCC2)cc1F	752661346	SYKIWTGLYWGHAT-UHFFFAOYSA-N	294.374	1.397	10	20	CDCD	
OC1CCN(c2ccc(CN[C@@H]3CCOC3)cc2)CC1	850406111	SFJJXUPBQZZRGU-CQSZACIVSA-N	276.380	1.526	10	20	CDCD	
CCN(C)c1ccc(CN(C)Cc2nnc(O)o2)cc1	852188036	FDPOTEVKPTUYNY-UHFFFAOYSA-N	276.340	1.863	10	20	CDCD	
COC(=O)[C@@]1(F)CCN(Cc2c(O)cccc2OC)C1	769565401	VROOOWKDWIOTEU-CQSZACIVSA-N	283.299	1.488	10	20	CDCD	
CC1(S(=O)(=O)NCc2ccc(O)cc2O)CC1	867416907	JEEOUZUHFGNMQF-UHFFFAOYSA-N	257.311	1.070	10	20	CDCD	
CCOc1ccc(CN2CCC[C@H](OCCO)C2)c(O)c1	769383880	NBCWTMPLQIDWOJ-HNNXBMFYSA-N	295.379	1.764	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1CCN(C)C[C@H]1CO	877645005	XWTCEPIDJBJDIX-INIZCTEOSA-N	277.412	1.169	10	20	CDCD	
Cc1cccc(O)c1CN1C[C@H](C)N(CCO)[C@H](C)C1	877568224	HVKOYXDHTRTTGH-OKILXGFUSA-N	278.396	1.588	10	20	CDCD	
COC[C@]1(C(=O)O)CCN(Cc2cccc(Cl)c2O)C1	874042296	BQEORHFAYPBUKP-AWEZNQCLSA-N	299.754	1.969	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)Nc1cccnc1O	779507091	WCYPOFUXVMECES-GQCTYLIASA-N	272.260	1.850	10	20	CDCD	
CC1=NO[C@H](CNC(=O)N[C@H](C)c2ccccc2O)C1	875952727	BXQUJJOYBWWECD-MNOVXSKESA-N	277.324	1.917	10	20	CDCD	
CO[C@H](C(=O)NCc1ccc(O)c(O)c1)C(C)C	771416063	DBUSMFFOJAGXEP-LBPRGKRZSA-N	253.298	1.385	10	20	CDCD	
CCOc1ccc(N(C)C[C@H](O)CO[C@H](C)COC)cc1	773753609	LKXGZNBULQSYJB-HIFRSBDPSA-N	297.395	1.934	10	20	CDCD	
CCc1noc(COC(=O)/C=C\c2ccc(O)c(O)c2)n1	772777915	YRLZXLRYUXTHFL-XQRVVYSFSA-N	290.275	1.800	10	20	CDCD	
Cc1cc(C(=O)OCC(=O)c2ccc(O)c(O)c2)ns1	785003668	BZTDHOYIIAJINZ-UHFFFAOYSA-N	293.300	1.902	10	20	CDCD	
C[C@@H]1C[C@H](C(=O)OCC(=O)c2ccc(O)c(O)c2)CCO1	784567429	MLXQCMSWQQCIKY-MWLCHTKSSA-N	294.303	1.639	10	20	CDCD	
O=C(NC[C@H]1CC(=O)N(C2CC2)C1)c1cc(O)cs1	780812451	QRUIXNIHADTZKU-MRVPVSSYSA-N	280.349	1.194	10	20	CDCD	
COc1ccc(CN2CCN(C)C(=O)[C@@H]2C)c(O)c1OC	893713071	WVQSNTYROCXQMN-JTQLQIEISA-N	294.351	1.072	10	20	CDCD	
CC1(C)CN(Cc2cc(F)cc(F)c2O)C[C@@H](CO)O1	895034011	OKIFSVOOMNDSJV-NSHDSACASA-N	287.306	1.642	10	20	CDCD	
COc1cccc(O)c1CNC[C@@](C)(O)C(C)C	732817754	KCXZSIIQTFYXEM-CQSZACIVSA-N	253.342	1.897	10	20	CDCD	
O=C(NCc1cn2ccccc2n1)c1cccc(O)c1O	790486444	OODSOSLRARUNQP-UHFFFAOYSA-N	283.287	1.676	10	20	CDCD	
CN(Cc1ccccc1O)c1ncnc2c1ncn2C	760262463	MINHHLPYSDJMJV-UHFFFAOYSA-N	269.308	1.705	10	20	CDCD	
CCOc1cccc(CN[C@H](CC)C(=O)NC)c1O	697908450	JOKJFSNMYPGLLZ-LLVKDONJSA-N	266.341	1.405	10	20	CDCD	
COCc1cc(C(=O)NCCc2ccc(N)cc2)no1	90253151	DOMRJBYOUGVRMJ-UHFFFAOYSA-N	275.308	1.376	10	20	CDCD	
Nc1ccc(CN2CCC([C@H]3C[C@H](N)CCO3)CC2)cc1	1334775308	VNFDWAXMAYQJFQ-IAGOWNOFSA-N	289.423	1.987	10	20	CDCD	
Oc1cc2c(cc1CN1CCC(F)CC1)[C@@H](O)CO2	1332135105	KCBRTFDJAZDZDS-ZDUSSCGKSA-N	267.300	1.752	10	20	CDCD	
Cc1cccc(CN2CCN(Cc3nc[nH]n3)CC2)c1O	1332722812	BRSKKZNEFZWVDL-UHFFFAOYSA-N	287.367	1.137	10	20	CDCD	
NC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1ccc(N)cc1	1345160175	SSJDLUDXNXELSK-XBFCOCLRSA-N	259.353	1.355	10	20	CDCD	
CC(C)(CCO)CNC(=O)NCc1ccc(N)cc1	1346739469	RFASCEPYTBYCGC-UHFFFAOYSA-N	265.357	1.477	10	20	CDCD	
Nc1ccc(NC(=O)N2C[C@@H]3CCC[C@]3(C(=O)O)C2)cc1	1601216567	HKIHTECXTDNNIO-BONVTDFDSA-N	289.335	1.987	10	20	CDCD	
CCCC[C@H](OC(=O)c1cccc(O)c1O)C(=O)O	1605248816	BWVWTCQOKYWSGH-JTQLQIEISA-N	268.265	1.898	10	20	CDCD	
CC[C@@H]1C[C@H](C(=O)NCc2cccc(O)c2O)CC(=O)N1	1548791592	BTQDKVAMHMNMRS-WDEREUQCSA-N	292.335	1.019	10	20	CDCD	
C[C@@H]1CNC[C@H]1CC(=O)NCCc1ccc(O)c(O)c1	1579450998	WAFSCPGLUTYFFI-ZYHUDNBSSA-N	278.352	1.002	10	20	CDCD	
Cc1cc(O)c(CN2CCN[C@@H](CCO)C2)cc1Cl	1579637962	KYLOIDGBPKCRCV-LBPRGKRZSA-N	284.787	1.510	10	20	CDCD	
CCc1cccc(CN2CC[C@](COC)(C(=O)O)C2)c1O	1593642435	NOWRLOPQFGKXSZ-INIZCTEOSA-N	293.363	1.878	10	20	CDCD	
C[C@H](CC(=O)O)CC(=O)NCc1c(O)cccc1F	1592387957	JBPNZJKHZHDORB-QMMMGPOBSA-N	269.272	1.648	10	20	CDCD	
C[C@H](NCc1ccn(C)n1)c1cc(C(=O)O)ccc1O	1593303207	FBHNBAALNRVSNJ-VIFPVBQESA-N	275.308	1.675	10	20	CDCD	
COc1ccc(N(C)CCOCCN)cc1OC	843358522	CGXGNOWCRBMVNF-UHFFFAOYSA-N	254.330	1.115	10	20	CDCD	
COc1ccc(O)c(CNCCCn2cccn2)c1	135753900	XKTBRTDQWMOKLD-UHFFFAOYSA-N	261.325	1.777	10	20	CDCD	
CCCNC(=O)CN[C@@H](C)c1ccc(N(C)C)cc1	37262585	BGRXDYRKCAXXBJ-LBPRGKRZSA-N	263.385	1.929	10	20	CDCD	
CCCN(CC(=O)N(C)C)C(=O)Cc1ccc(N)cc1	38101130	JSFYSFCQCUWXGW-UHFFFAOYSA-N	277.368	1.138	10	20	CDCD	
Cc1cncc(CNC(=O)c2cccc(O)c2O)c1	193149345	KRQQOCWKYCLBLK-UHFFFAOYSA-N	258.277	1.731	10	20	CDCD	
COC(=O)C(C)(C)CNCc1cc(F)cc(F)c1O	708534875	FWVZGCAODHHVRO-UHFFFAOYSA-N	273.279	1.959	10	20	CDCD	
CC(C)(C)N1CC[C@@H](NC(=O)c2cccc(O)c2O)C1	710363610	GIBOKYVAYCZPOI-SNVBAGLBSA-N	278.352	1.700	10	20	CDCD	
CC[C@H](C)NC(=O)CCNCc1ccccc1O	38013538	OVCIJDCZRYOHNG-NSHDSACASA-N	250.342	1.787	10	20	CDCD	
Cc1cccc(CN2CCN(c3ncccn3)CC2)c1O	183470071	ZVGHYLJULSJUMV-UHFFFAOYSA-N	284.363	1.813	10	20	CDCD	
CN1c2ccccc2C(=O)N[C@H]1c1cc2c(cc1O)OCO2	121384940	BREPZMLUKUYDJR-OAHLLOKOSA-N	298.298	1.999	10	20	CDCD	
CN(C)[C@H]1CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1	180744177	OGFZDIDLVJVSQH-CFNZNRNTSA-N	290.363	1.664	10	20	CDCD	
O=C(Nc1ccc(-n2cncn2)nc1)c1cccc(O)c1O	192975243	RARWWQGSVNFNOK-UHFFFAOYSA-N	297.274	1.326	10	20	CDCD	
CC(C)(CNCc1cc(Cl)ccc1O)S(C)(=O)=O	93523377	VBUVJCZSRSGHLA-UHFFFAOYSA-N	291.800	1.958	10	20	CDCD	
CC[C@H]1CC[C@H](C(=O)NCc2cccc(OC)c2O)O1	268221798	JPMKMFVJIVGATB-WCQYABFASA-N	279.336	1.975	10	20	CDCD	
O=C(NCc1ccccc1O)N[C@H]1CCC[C@@H]1CCO	275270245	SWCAJKIGDHNADV-YPMHNXCESA-N	278.352	1.743	10	20	CDCD	
CNC(=O)N1CCN(Cc2ccc(N(C)C)cc2)CC1	271167913	CJDKUWMQBGWTAA-UHFFFAOYSA-N	276.384	1.210	10	20	CDCD	
Cc1ccc(C(=O)NC[C@H]2CCO[C@@H](C)C2)c(O)c1O	272982288	MBZABLULVOOWGP-QWRGUYRKSA-N	279.336	1.951	10	20	CDCD	
COCCOCCN(C)Cc1cc(F)cc(C(C)=O)c1O	289035291	PCQUVGQDFIUJSE-UHFFFAOYSA-N	299.342	1.829	10	20	CDCD	
COc1ccc(O)c([C@H](C)N[C@H](C)C(=O)NCCF)c1	282963851	ZULVUCIBSJRPPO-VHSXEESVSA-N	284.331	1.526	10	20	CDCD	
CC(=O)NCC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	298342068	DNGVHEVTQSJPNP-UHFFFAOYSA-N	289.379	1.380	10	20	CDCD	
CCC[C@](C)(O)CNC(=O)c1c(F)ccc(O)c1O	295723897	DVFNWORIOOUNHH-ZDUSSCGKSA-N	271.288	1.518	10	20	CDCD	
Cc1cc(C)c([C@H](C)NCCS(C)(=O)=O)c(O)c1	293868085	UVFXCURVKFIYSS-NSHDSACASA-N	271.382	1.704	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)[C@H]2CCN2)cc1F	829038465	IRVUVWSRMNUJCQ-CYBMUJFWSA-N	279.359	1.650	10	20	CDCD	
CCOc1ccc(CNC2CCN(C(C)=O)CC2)c(O)c1	727644125	HESSNIKXNGDJKS-UHFFFAOYSA-N	292.379	1.891	10	20	CDCD	
CCC[C@H](O)C(=O)N(C)CCN(C)c1ccc(OC)cc1	823948632	ODACJTHIEMBVJT-HNNXBMFYSA-N	294.395	1.751	10	20	CDCD	
CC(=O)N[C@H](C(=O)N(C)Cc1ccccc1O)C(C)(C)C	825482007	ZYNVEZKOWKEFQV-CQSZACIVSA-N	292.379	1.901	10	20	CDCD	
CO[C@H]1COCC[C@@H]1CNCc1ccc2c(c1)CCO2	824709947	TUNJIXXLECZYLC-ZBFHGGJFSA-N	277.364	1.763	10	20	CDCD	
O=C(NCC1CC2(C1)OCCO2)c1c(F)ccc(O)c1O	900690874	GRLXGJOAUKKAGJ-UHFFFAOYSA-N	297.282	1.120	10	20	CDCD	
COc1ccc(N2CC[C@@H](CNC(=O)C[C@H](C)N)C2)cc1	831752825	FLPQDNGVKYDWSK-STQMWFEESA-N	291.395	1.375	10	20	CDCD	
Cc1nc(C(=O)NCCCSc2nccs2)n(C)n1	836195741	PLZFZHLKFNYZJZ-UHFFFAOYSA-N	297.409	1.492	10	20	CDCD	
C[C@@H](NC(=O)C[C@@H]1CC(=O)N1)c1ccc(N(C)C)cc1	832430804	HBGOTSVMTSRFQU-ZYHUDNBSSA-N	275.352	1.208	10	20	CDCD	
C[C@H]1CC[C@@H](C)N1[C@H](C)C(=O)NCc1ccc(O)cc1O	910954566	LJBKZVKTGWEICZ-GRYCIOLGSA-N	292.379	1.975	10	20	CDCD	
Nc1ccc(NC(=O)[C@@H]2CCc3cncn3C2)cc1	911661523	WEQZXBHIOSYDDA-SNVBAGLBSA-N	256.309	1.666	10	20	CDCD	
C[C@H](NC(=O)NCCc1ccc(N)cc1)[C@H]1CCCOC1	841875084	QXZPHOFLCMBJRY-JSGCOSHPSA-N	291.395	1.926	10	20	CDCD	
Cn1cc(CNC(=O)NCc2cc(Cl)ccc2O)nn1	845104100	FSFWWOOFGJKNNI-UHFFFAOYSA-N	295.730	1.174	10	20	CDCD	
NC[C@@H]1CCC[C@H]1NCc1ccc(N2CCOCC2)cc1	841031631	UMWCAXCSYMKJTN-DOTOQJQBSA-N	289.423	1.740	10	20	CDCD	
CCOc1ccc(CN2CCC[C@H](N)C2)c(O)c1	843044211	YJSIGDLIJKOOOK-LBPRGKRZSA-N	250.342	1.714	10	20	CDCD	
COC[C@]1(CNCc2cc(OC)ccc2O)CCCN1	841067085	JRTGKJQOPLDUDJ-OAHLLOKOSA-N	280.368	1.259	10	20	CDCD	
CC(=O)N1CCC(NC(=O)NCc2ccccc2O)CC1	748450551	JFTYGOXEKXCCHM-UHFFFAOYSA-N	291.351	1.202	10	20	CDCD	
CC[C@@H](NCCN1CC[C@@H](O)C1)c1ccc(N(C)C)cc1	858547158	DRINWWGKOVDHNW-IAGOWNOFSA-N	291.439	1.860	10	20	CDCD	
CCNC(=O)[C@@H](C)NCc1cc(F)c(N(C)C)cc1F	858087963	NQEJYESBTVREMP-SECBINFHSA-N	285.338	1.645	10	20	CDCD	
CC[C@H](C)N(CCO)Cc1cc(OC)ccc1O	862387139	HMEIKPUVLQNTNM-NSHDSACASA-N	253.342	1.994	10	20	CDCD	
CCOC(=O)CC(=O)NCc1cc(C)ccc1O	862760804	WKGNSQISMWWBDQ-UHFFFAOYSA-N	251.282	1.270	10	20	CDCD	
CCOc1ccc(CN(C)CCOCCN)c(O)c1	863649731	HDUVTAVNGNMSEK-UHFFFAOYSA-N	268.357	1.198	10	20	CDCD	
C[C@H](N[C@@H]1COC[C@@H]1O)c1cc(Cl)ccc1O	866419401	BIPSRAFOOAGPEZ-KOLSJAJHSA-N	257.717	1.456	10	20	CDCD	
C[C@H]1CCN[C@H](C(=O)N[C@H](C)c2ccccc2O)C1	877255868	JBTJXIMWSUZDSS-LOWVWBTDSA-N	262.353	1.958	10	20	CDCD	
COc1ccc(O)c(CN(C)CCN2CCCC2=O)c1	775692609	ZIXWGZRTRQGFCK-UHFFFAOYSA-N	278.352	1.455	10	20	CDCD	
C[C@@H](NCc1nccc(N)n1)c1ccc(N(C)C)cc1	775835652	HQZGGEGSMUEXNC-LLVKDONJSA-N	271.368	1.976	10	20	CDCD	
CC[C@@H](CO)C(=O)NCc1c(O)ccc2c1CCCC2	779811500	FETHFQOQLMZXON-NSHDSACASA-N	277.364	1.906	10	20	CDCD	
CN(C)c1ccc(CNCCN2CCNC2=O)cc1F	886323885	OUIIZOCVTDWMOU-UHFFFAOYSA-N	280.347	1.007	10	20	CDCD	
Nc1ccc(CNC(=O)N2C[C@H]3[C@@H](N)CCC[C@H]3C2)cc1	1120592158	QJPCNCBSVLUWAB-CFVMTHIKSA-N	288.395	1.538	10	20	CDCD	
CCC[C@@H](NCc1cc(OC)ccc1O)C(=O)OC	83495088	TYYVFJPIVORVGL-GFCCVEGCSA-N	267.325	1.832	10	20	CDCD	
Cc1nnc(CNC(=O)N(C)Cc2ccccc2O)s1	780902765	PAABKZVQFIFPLI-UHFFFAOYSA-N	292.364	1.894	10	20	CDCD	
C[C@H](NC(=O)NC[C@H]1C[C@H](N)C1)c1ccc(N(C)C)cc1	891814444	SKWYKZZUVGGDJS-OBJOEFQTSA-N	290.411	1.850	10	20	CDCD	
COc1cc(C)cc(CN2CCCN(C(N)=O)CC2)c1O	893986764	MCRGROUNMZJUDV-UHFFFAOYSA-N	293.367	1.296	10	20	CDCD	
CCOc1ccc(CN2CC(=O)N(C)C[C@@H]2C)c(O)c1	783731239	YXPAUPVZMYVVHA-NSHDSACASA-N	278.352	1.453	10	20	CDCD	
CN(CCN1CCOC(C)(C)C1)C(=O)c1cc(O)cs1	791016634	KMUPFFPINNYWIR-UHFFFAOYSA-N	298.408	1.637	10	20	CDCD	
COc1cc(C)cc(CN2CCC[C@@H](CC(N)=O)C2)c1O	894075468	GCWSMMGFFCNMKL-LBPRGKRZSA-N	292.379	1.797	10	20	CDCD	
COc1cc(C)cc(CN[C@H](C)C[C@H](C)O)c1O	894437955	UACHTHDKCCDHPU-MNOVXSKESA-N	253.342	1.958	10	20	CDCD	
COc1ccc(CN[C@@H](C)c2ncnn2C)cc1C	276615480	DPYAZEVONYFDLF-NSHDSACASA-N	260.341	1.983	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)[C@H]1CC12CCC2	762268599	NTBXQAUCTCIWKO-LLVKDONJSA-N	261.321	1.947	10	20	CDCD	
CO[C@@H](C(=O)NCCc1ccc(O)c(O)c1)C(C)C	771416651	JLBKEDMUJXAPAY-CYBMUJFWSA-N	267.325	1.428	10	20	CDCD	
CCn1ncnc1CNCc1cc(Cl)ccc1O	793346444	QDQGBMYTDQGNGD-UHFFFAOYSA-N	266.732	1.947	10	20	CDCD	
C[C@@H](CCCCO)NC(=O)NCc1ccc(N)cc1	1337070301	MJHCHAUJNZANEH-NSHDSACASA-N	265.357	1.619	10	20	CDCD	
C[C@@H]1CN(C(=O)NCc2ccc(N)cc2)CCS1	1338793142	MKYZJEDEYOHYKU-SNVBAGLBSA-N	265.382	1.916	10	20	CDCD	
CO[C@H]1CCC[C@@H]1C(=O)NCc1ccc(O)cc1O	1262628763	GDHDQAOFPCURGS-AAEUAGOBSA-N	265.309	1.529	10	20	CDCD	
CC(C)[C@@H](C)N(C)C(=O)C(=O)N(C)Cc1ccccc1O	1344660334	GCNLRLHEHXVJBE-GFCCVEGCSA-N	292.379	1.854	10	20	CDCD	
O=C(O)[C@H](NCc1ccc2c(c1)CCCO2)[C@H]1CCOC1	1355405178	IIJGCNBOYWUTSE-DZGCQCFKSA-N	291.347	1.591	10	20	CDCD	
O=C(c1cc(O)cs1)N1C[C@@H]2CCC[C@]2(C(=O)O)C1	1602622996	RIBFKWJHTMBOQV-SDBXPKJASA-N	281.333	1.781	10	20	CDCD	
N[C@@H]1CCC[C@@H](C(=O)NCc2cccc(O)c2O)C1	1580374677	WXYNIVGEWVYCRA-MWLCHTKSSA-N	264.325	1.232	10	20	CDCD	
CCCN(C(=O)c1cc(O)cs1)[C@@H](C)C(=O)O	1595824711	SLODKFFFTGQKOH-ZETCQYMHSA-N	257.311	1.779	10	20	CDCD	
Cc1ccc([C@H](C)NC2CCN(CC(=O)O)CC2)c(O)c1	1594350339	ZKYBRBKFOFIKEH-LBPRGKRZSA-N	292.379	1.900	10	20	CDCD	
CCCn1cncc1CNCc1ccc(C(=O)O)cc1O	1776845722	RGQCKSMYDLHGQZ-UHFFFAOYSA-N	289.335	1.987	10	20	CDCD	
O=S(=O)(CCNCc1ccc2c(c1)CCO2)C1CC1	840964462	LPSOBUKDIBVZAO-UHFFFAOYSA-N	281.377	1.288	10	20	CDCD	
CC1(C)C[C@H](NC(=O)c2cccc(O)c2O)CCO1	126516378	IVAJHNXMPLLYNM-SECBINFHSA-N	265.309	1.785	10	20	CDCD	
Cc1ccc(CN(C)[C@@H](C)C[S@](C)=O)c(O)c1	877326283	VRAVKTMQJYERJF-GTNSWQLSSA-N	255.383	1.899	10	20	CDCD	
CCOc1cccc(CN2C[C@@H](C)NC[C@H]2C)c1O	250522452	UIMLWAXVMLUOHF-VXGBXAGGSA-N	264.369	1.973	10	20	CDCD	
Cc1cccc(CN2CCN(C(=O)N(C)C)CC2)c1O	401634544	BVMSERRYDWPZBK-UHFFFAOYSA-N	277.368	1.500	10	20	CDCD	
CC(C)(CNCc1cc(F)cc(F)c1O)OCCO	708534647	CDPVJXIFLAFXGC-UHFFFAOYSA-N	275.295	1.548	10	20	CDCD	
CCN1C[C@@H](NCc2ccc3c(c2)CCO3)CC1=O	391528111	GCTFGCIRJAIHEW-ZDUSSCGKSA-N	260.337	1.332	10	20	CDCD	
CCCN(CCO)C(=O)NCc1ccc(N(C)C)c(F)c1	57647894	YIZHIVWZLZZPAD-UHFFFAOYSA-N	297.374	1.806	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)Cn1nccc1[N+](=O)[O-]	54440543	TVZZIVFLENSEQR-UHFFFAOYSA-N	289.339	1.947	10	20	CDCD	
CC[C@@H](CO)NC(=O)NCc1ccc(N(C)C)cc1C	304235360	PMGOJUJGCBJYRA-ZDUSSCGKSA-N	279.384	1.631	10	20	CDCD	
CC[C@@H](N[C@H](C)c1ccc(N2CCOCC2)cc1)C(N)=O	112536904	SQZUAYPFZRZCFQ-IUODEOHRSA-N	291.395	1.438	10	20	CDCD	
CC(C)(C)C[C@H](NC(=O)Cc1ccc(N)cc1)C(=O)O	401280707	RNYFVSIXDMIQPO-LBPRGKRZSA-N	278.352	1.817	10	20	CDCD	
C[C@H](Nc1ccc(C(N)=O)nn1)c1ccc(N(C)C)cc1	302392949	JPYNFUFMGIQZRK-JTQLQIEISA-N	285.351	1.815	10	20	CDCD	
C[C@H]1CCN(Cc2cc(F)ccc2O)C[C@H]1CN	300434928	BGWJHDNBAUKQKF-CMPLNLGQSA-N	252.333	1.948	10	20	CDCD	
Cc1ccc([C@H](C)NCC2(C(N)=O)CCOCC2)c(O)c1	185002851	YNTHFRBKMPVTPF-LBPRGKRZSA-N	292.379	1.633	10	20	CDCD	
CNC[C@@H]1CCCN(Cc2cc(F)ccc2O)C1	219686462	WECANQKZFMOLBG-NSHDSACASA-N	252.333	1.963	10	20	CDCD	
Cc1cc(C)cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c1	49371787	OQKNLRDSJINFRQ-UHFFFAOYSA-N	272.304	1.737	10	20	CDCD	
O=C(N[C@H]1CCC[C@@H]2OCC[C@H]12)c1cccc(O)c1O	193134341	OSZQJQOKOGLODY-CDMKHQONSA-N	277.320	1.785	10	20	CDCD	
CN(C)C[C@@](C)(O)CNCc1ccc(N(C)C)c(F)c1	131525219	FKLZACSJNLJMKJ-HNNXBMFYSA-N	283.391	1.294	10	20	CDCD	
Cc1ccc(C(=O)NCc2nc3cccnc3[nH]2)c(O)c1O	194235076	OSNYMCVJILVPLG-UHFFFAOYSA-N	298.302	1.608	10	20	CDCD	
COCCOC[C@@H](O)CNc1ccccc1OC	234763125	QPSRNUUCUIYCRF-NSHDSACASA-N	255.314	1.131	10	20	CDCD	
CN(Cc1ccccc1O)S(=O)(=O)C[C@@H]1CCCCO1	178609420	BJZKTTLHGBBYCO-ZDUSSCGKSA-N	299.392	1.723	10	20	CDCD	
CC1CCN(C(=O)C(=O)N(C)Cc2ccccc2O)CC1	274535332	RYRSUWPGGXCLCN-UHFFFAOYSA-N	290.363	1.609	10	20	CDCD	
O=C(NC1CCOCC1)c1c(F)ccc(O)c1O	276662015	YDUZVXBXEOQHOW-UHFFFAOYSA-N	255.245	1.146	10	20	CDCD	
COc1cccc(CNCC2(N3CCOCC3)CC2)c1O	277428593	BVVFRQUQRZGLGT-UHFFFAOYSA-N	292.379	1.355	10	20	CDCD	
COc1cccc(CNS(=O)(=O)CC(C)(C)C)c1O	282063511	DAVWRLLSVAYWFG-UHFFFAOYSA-N	287.381	1.866	10	20	CDCD	
C[C@@H]1CCNCC[C@@H]1NC[C@H](N)c1ccc(N(C)C)cc1	817943007	SMWQORKTUNKDNX-COXVUDFISA-N	290.455	1.730	10	20	CDCD	
C[C@@H]1C[C@H](NC[C@@H](N)c2ccc(N(C)C)cc2)CCO1	817944305	ZAZRVSYAPNGRNO-XNRPHZJLSA-N	277.412	1.910	10	20	CDCD	
COCC(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1	819578362	ILNSYXZRTDGKOE-LBPRGKRZSA-N	278.352	1.284	10	20	CDCD	
CO[C@@H]1CCOC[C@H]1NC(=O)Nc1ccc(N)cc1	724870507	WFGMNUDZEUGXLH-VXGBXAGGSA-N	265.313	1.194	10	20	CDCD	
Cc1cc(O)c(CN2C[C@@H](CO)OC[C@@H]2C)cc1Cl	824934033	OEVYFTBVTHBKEW-JQWIXIFHSA-N	285.771	1.936	10	20	CDCD	
CCOc1ccc(CN2CC[C@](CO)(COC)C2)c(O)c1	825158091	DJULGPKYUFTOFR-INIZCTEOSA-N	295.379	1.622	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](C)CN)c1	828667520	RUIJAZGJDAJIBA-DTWKUNHWSA-N	252.314	1.173	10	20	CDCD	
Nc1ccc(CC(=O)NC2CCN(CC(F)F)CC2)cc1	827930714	PWFONVRICZDDPY-UHFFFAOYSA-N	297.349	1.657	10	20	CDCD	
Cc1ccc(C(=O)NCCC[C@H]2CCOC2)c(O)c1O	837068671	WDAWPCWIXDCPCP-NSHDSACASA-N	279.336	1.953	10	20	CDCD	
N[C@H]1CCC[C@H](NCc2ccc(N3CCOCC3)cc2)C1	841055630	SYBNDDUGMIPMIX-HOTGVXAUSA-N	289.423	1.883	10	20	CDCD	
CC(=O)CSCC(=O)NCc1ccc(O)cc1O	910945560	DCUPJSGQPFZEJJ-UHFFFAOYSA-N	269.322	1.036	10	20	CDCD	
C[C@H](NC(=O)NCc1cc(Cl)ccc1O)C(=O)N(C)C	844889250	BUNJWCNJDWFCSG-QMMMGPOBSA-N	299.758	1.322	10	20	CDCD	
Nc1ccc(NC(=O)C(=O)NC[C@@H]2CC=CCC2)cc1	841023525	TVCBGETZEUKZCR-LLVKDONJSA-N	273.336	1.680	10	20	CDCD	
CCNCC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	844176432	RLUYTLJBXKMBEW-ZDUSSCGKSA-N	291.395	1.310	10	20	CDCD	
Oc1c(F)cc(Cl)cc1CNCCN1CCNCC1	841044355	CZPAOGPVEQPTCH-UHFFFAOYSA-N	287.766	1.180	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NCCc2ccn(C)n2)c1	858361810	DLUYSRVPFCFMAH-UHFFFAOYSA-N	288.351	1.476	10	20	CDCD	
Cc1nc(CC(=O)NCc2cc(Cl)ccc2O)n[nH]1	855022583	CNUGDTFBTLLCCX-UHFFFAOYSA-N	280.715	1.331	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)C(OC)OC	935945222	PHIPRSGUGUQJBY-UHFFFAOYSA-N	274.313	1.113	10	20	CDCD	
C[C@H]1CN(C(=O)c2cc(O)cs2)[C@H](C)CN1C	768845958	LEUBKIZYJSGQEV-DTWKUNHWSA-N	254.355	1.618	10	20	CDCD	
CCOC(=O)C1(C(=O)N(C)c2ccc(N)cc2)CC1	877076557	RHLJATUNYPGTJP-UHFFFAOYSA-N	262.309	1.575	10	20	CDCD	
Cc1cc(O)c(CNCc2nnnn2CC2CC2)cc1C	769936861	ZKUNWOZWCJOFKN-UHFFFAOYSA-N	287.367	1.695	10	20	CDCD	
CN1CC[C@@H](NCc2cc(Cl)cc(F)c2O)C1	776174422	MANPJEKBZHYUEB-SNVBAGLBSA-N	258.724	1.978	10	20	CDCD	
OC1CCN(c2ccc(CNCc3ccon3)cc2)CC1	873139266	ZTGQURFNKPMVTM-UHFFFAOYSA-N	287.363	1.926	10	20	CDCD	
Cc1cccc(O)c1CN1CC[C@@H](N2CCOC2=O)C1	877625058	HEOMVDMVLLYSJS-GFCCVEGCSA-N	276.336	1.727	10	20	CDCD	
CC1=NO[C@@](C)(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)C1	1120628611	GZXOUQGNHDAFMH-RFAUZJTJSA-N	292.335	1.700	10	20	CDCD	
CN1CCC[C@H](N2CCOc3cc(N(C)C)ccc32)C1=O	778953557	OHFKCLPPPGUYSN-AWEZNQCLSA-N	289.379	1.572	10	20	CDCD	
CN1CCN(c2ccc(CNC(=O)CCCF)cc2)CC1	881854326	BSEMBTFMGOOMMI-UHFFFAOYSA-N	293.386	1.804	10	20	CDCD	
CC(=O)c1cc(Cl)cc(Cn2cc(CCN)nn2)c1O	880999075	FRNYFXXBZVZMNG-UHFFFAOYSA-N	294.742	1.389	10	20	CDCD	
Nc1ccc(CCNC(=O)N2CC[C@H](CF)C2)cc1	892039190	ROSXUTGHPSZVRP-GFCCVEGCSA-N	265.332	1.812	10	20	CDCD	
CC1(C)CN(C(=O)c2cc(O)cs2)CC[C@H]1O	783931906	GJSOTULGMQLTCY-SNVBAGLBSA-N	255.339	1.687	10	20	CDCD	
COC(=O)/C=C\c1ccc(N(C)CC(=O)O)c([N+](=O)[O-])c1	794408333	CHUDUQKIOOWQRJ-XQRVVYSFSA-N	294.263	1.302	10	20	CDCD	
COCC[C@@H](CO)NCc1c(O)ccc(Cl)c1F	798505438	ODMSJGWCOULCBY-QMMMGPOBSA-N	277.723	1.672	10	20	CDCD	
COc1cccc(O)c1CN1CCO[C@]2(CCO[C@H]2C)C1	793229676	BSEGDKCSHJQJRO-BLLLJJGKSA-N	293.363	1.781	10	20	CDCD	
O=C(CNCc1ccccc1O)NCc1ccccc1	37908585	HRYXPDGAVOGZBY-UHFFFAOYSA-N	270.332	1.798	10	20	CDCD	
CN1CCC(C(=O)NCCc2ccc(O)c(O)c2)CC1	271152446	ISVDTSWXBZIWDG-UHFFFAOYSA-N	278.352	1.098	10	20	CDCD	
O=C(NC1=NCCS1)c1c(F)ccc(O)c1O	790070228	MKLQPWFKKKCGJD-UHFFFAOYSA-N	256.258	1.070	10	20	CDCD	
COc1ccc(CNC(=O)c2ccc(O)nc2)c(O)c1	794380930	FYWSMTICDYXERR-UHFFFAOYSA-N	274.276	1.431	10	20	CDCD	
O=C(OC[C@H]1CCC[C@@H](O)C1)c1cccc(O)c1O	795535028	NCXRBWVKOQFQES-VHSXEESVSA-N	266.293	1.806	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCC[C@@H]2COC[C@@H]21	690758904	UJJTUTLGBZIRGA-KOLCDFICSA-N	263.293	1.349	10	20	CDCD	
CN(Cc1cccn1C)C(=O)c1cccc(O)c1O	790886589	MOCPSCOQGPCNIJ-UHFFFAOYSA-N	260.293	1.709	10	20	CDCD	
CO[C@H]1CC[C@H](NC(=O)NCc2ccc(N)cc2)C1	1262581110	ITNCMOYJXXXHMR-STQMWFEESA-N	263.341	1.636	10	20	CDCD	
CC[C@@](C)(O)c1nnc(N(C)Cc2ccccc2O)n1C	1341580210	PFPBVCPSSXXIBZ-OAHLLOKOSA-N	290.367	1.775	10	20	CDCD	
COc1cccc(CNC(=O)[C@H]2CC[C@@H](C(=O)O)C2)c1O	1610358111	YRSFALDIDIUPGM-VHSXEESVSA-N	293.319	1.518	10	20	CDCD	
CC1(C(=O)O)CN(Cc2cccc(Cl)c2O)C1	1593808445	PLIXALGMRFHJCI-UHFFFAOYSA-N	255.701	1.952	10	20	CDCD	
O=S(=O)(CCN[C@H]1CCc2cccc(O)c21)C1CC1	840882705	JWEGDVWXSODIFI-LBPRGKRZSA-N	281.377	1.546	10	20	CDCD	
C[C@H](NC(=O)Cc1ccc(N)cc1)[C@@H]1CCCNC1	832497487	HBYOOVNWZROXMC-WCQYABFASA-N	261.369	1.316	10	20	CDCD	
O=C(CN1CCCCCC1=O)NCc1ccccc1O	701119421	XNABAMGCBHVKQE-UHFFFAOYSA-N	276.336	1.411	10	20	CDCD	
COc1cccc(CNC(=O)C[C@H](C)OC)c1O	105650745	JXICRSSVFJJTMX-VIFPVBQESA-N	253.298	1.442	10	20	CDCD	
COCCN(CCOC)c1ccc(OCC(=O)OC)cc1	60600793	ZQSORYAPNDKIPF-UHFFFAOYSA-N	297.351	1.338	10	20	CDCD	
COc1ccc(N(C)CCN(C)CC2(C(=O)O)CC2)cc1	1599584499	VBZSBZLYDSKMGD-UHFFFAOYSA-N	292.379	1.928	10	20	CDCD	
OC[C@@H]1C[C@H](O)CN1Cc1ccc(N2CCCCC2)cc1	187666253	GLDHMZCQMFULHC-IRXDYDNUSA-N	290.407	1.604	10	20	CDCD	
CON(C)C(=O)NCc1ccc(N2CCSCC2)cc1	192370729	XDMFZNBGTGCQOJ-UHFFFAOYSA-N	295.408	1.943	10	20	CDCD	
Cc1ccc(O)c(CN2CCO[C@@H]([C@H](C)N)C2)c1	228365308	DHMACDULHZNZAU-SMDDNHRTSA-N	250.342	1.249	10	20	CDCD	
O=S1(=O)CCC[C@@H](CNCc2cc(F)ccc2O)C1	290568487	SXLCHSPXMGDOJM-JTQLQIEISA-N	287.356	1.446	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)N[C@@H](C)CO)cc1F	264633151	VVAHPUQSFFHPEB-NSHDSACASA-N	297.374	1.852	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1cccc[n+]1[O-]	266379480	WWESZRBXOPEMBM-UHFFFAOYSA-N	299.330	1.425	10	20	CDCD	
O=C(NCc1ccccc1O)N[C@H]1CCC[C@H]1CCO	275270236	SWCAJKIGDHNADV-AAEUAGOBSA-N	278.352	1.743	10	20	CDCD	
COc1cc(O)c(CN[C@]2(C)CCOC2)cc1OC	271802928	JDRPCWCDUKYDGW-CQSZACIVSA-N	267.325	1.678	10	20	CDCD	
CC(C)[C@H](NC(=O)c1cccc(O)c1O)C(C)(C)O	276631981	BNGXJXATWQZLNJ-LBPRGKRZSA-N	267.325	1.623	10	20	CDCD	
C[C@@H](NC[C@H](O)CN1CCCC1)c1ccc(F)cc1O	273382193	IOAAXIHIHLHZJW-YPMHNXCESA-N	282.359	1.639	10	20	CDCD	
CCCC[C@@H](NC(=O)c1cccc(O)c1O)C(=O)OC	280400232	GYZIYICNOLZWEF-SNVBAGLBSA-N	281.308	1.559	10	20	CDCD	
COC[C@H](CO)N[C@@H](C)c1ccc(F)c(F)c1O	290224393	RCUZQCPEJZDFDE-YUMQZZPRSA-N	261.268	1.328	10	20	CDCD	
O=C(N[C@H](CO)CC1CCC1)c1c(F)ccc(O)c1O	295252324	ZGCBSDHRZYCCBO-VIFPVBQESA-N	283.299	1.518	10	20	CDCD	
Nc1ccc(CC(=O)N2CC[C@@H]3OCC[C@@H]3C2)cc1	724821551	FDFDSYZRMSVSOQ-OCCSQVGLSA-N	260.337	1.449	10	20	CDCD	
O=C(NCc1ccccc1O)[C@@H]1CCCc2nn[nH]c21	816912299	RPZFGURDZXWRMW-SNVBAGLBSA-N	272.308	1.247	10	20	CDCD	
COC[C@H](C)[C@@H](C)C(=O)NCc1cc(OC)ccc1O	812510402	ZKHPKGHTCTZGRF-WDEREUQCSA-N	281.352	1.936	10	20	CDCD	
OCCCN1CCC[C@H]1CNCc1c(O)cccc1Cl	824559037	CYRPWUWBDDSILJ-LBPRGKRZSA-N	298.814	1.982	10	20	CDCD	
Cc1cc(O)c(CN2CCN3C(=O)OC[C@@H]3C2)cc1Cl	824863938	XUYZIWSAOUKXRE-NSHDSACASA-N	296.754	1.990	10	20	CDCD	
O=C(NCc1ccccc1O)C1(C(=O)C2CC2)CC1	825658899	QDNQPEPFLIIELP-UHFFFAOYSA-N	259.305	1.768	10	20	CDCD	
COc1cc(O)ccc1NS(=O)(=O)C[C@H](C)OC	901704774	WZMCFXIGJMFKPW-QMMMGPOBSA-N	275.326	1.177	10	20	CDCD	
CSC[C@@H](CCO)NC(=O)c1c(F)ccc(O)c1O	827419890	IAVNOBKIKYZBKK-SSDOTTSWSA-N	289.328	1.081	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2cnc(C)n2C)c1	901127584	LUIRZXXZWFDQIZ-SECBINFHSA-N	289.335	1.934	10	20	CDCD	
COC(=O)C1CCN(C(=O)c2cc(O)cs2)CC1	731863787	FAQIFADCKPUUCO-UHFFFAOYSA-N	269.322	1.479	10	20	CDCD	
COc1ccc(N2CCC(NC(=O)CC(=O)O)CC2)cc1	738098025	MDOMCQHAXRMRTM-UHFFFAOYSA-N	292.335	1.255	10	20	CDCD	
Cc1cc(C(=O)N[C@H](C)CN)c(C)n1-c1ccccn1	834521322	GUSIGTYDFUZSHN-SNVBAGLBSA-N	272.352	1.566	10	20	CDCD	
CCOC(=O)[C@H](C)OC(=O)c1ccc(C)c(O)c1O	733475926	HRXMNOWDMXBZBS-QMMMGPOBSA-N	268.265	1.515	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NC[C@]2(C)CCOC2)cc1	733332480	BHIVENHCECGXDH-INIZCTEOSA-N	291.395	1.978	10	20	CDCD	
COC[C@@H](C)CC(=O)NC[C@@H](N)c1ccc(N(C)C)cc1	832267050	LZCKKZHHSICTRF-SWLSCSKDSA-N	293.411	1.541	10	20	CDCD	
CCN(CC)c1ccc(CN(C)C(=O)CCO)cc1	902781829	KNKUVENVCMDCCD-UHFFFAOYSA-N	264.369	1.874	10	20	CDCD	
OCCn1cc(N[C@@H]2CCc3cccc(O)c32)cn1	834733387	HDPMZUBRIJPOQZ-GFCCVEGCSA-N	259.309	1.680	10	20	CDCD	
O=C(NCc1c(O)ccc2c1CCCC2)[C@]1(F)CCNC1	830597409	HKPZLLKZFKUQST-INIZCTEOSA-N	292.354	1.589	10	20	CDCD	
O=C(NCc1ccccc1O)NC1CCN(C(=O)O)CC1	739449008	ZFWGMONMTWXHQC-UHFFFAOYSA-N	293.323	1.334	10	20	CDCD	
CC[C@@H](C)N1CCN(C(=O)c2ccc(C)c(O)c2O)CC1	837005486	PUWAYMKZPBLTHX-GFCCVEGCSA-N	292.379	1.963	10	20	CDCD	
CCOc1ccc(O)c(CN[C@@H]2COC[C@@H]2OC)c1	839193580	SXJMEWMJHFMENO-OCCSQVGLSA-N	267.325	1.294	10	20	CDCD	
CCOc1ccc(N(C)Cc2nc(N)nc(N)n2)cc1	744404691	WYASLVFDIGSAJG-UHFFFAOYSA-N	274.328	1.071	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)[C@H]1CCCCO1	910949639	MXQPPYIGCVUIAE-GFCCVEGCSA-N	251.282	1.283	10	20	CDCD	
CCNCC(=O)NCc1ccc(N(C)C)c(F)c1	844177301	HNJATUOYSFXLDA-UHFFFAOYSA-N	253.321	1.117	10	20	CDCD	
COc1cccc(CNC(=O)N[C@@H]2CCCNCC2)c1O	841978286	MBEZQSBMKZARGD-GFCCVEGCSA-N	293.367	1.342	10	20	CDCD	
Cc1cccc(CN[C@H](CO)[C@H]2CCCOC2)c1O	840963820	QHYSRKFOWXHTSU-UONOGXRCSA-N	265.353	1.578	10	20	CDCD	
CCCNC(=O)CN(C)CCN(C)c1ccc(OC)cc1	844399834	PNWHCFKESXPOEX-UHFFFAOYSA-N	293.411	1.589	10	20	CDCD	
C[C@H](C(=O)NCc1ccc(O)cc1O)c1cnn(C)c1	910951280	QSWRIXUCEGDFPW-VIFPVBQESA-N	275.308	1.251	10	20	CDCD	
C[C@H](N)CCNC(=O)NCc1ccc(N2CC=CC2)cc1	841831751	DLOAHMIHKBCERP-ZDUSSCGKSA-N	288.395	1.599	10	20	CDCD	
Oc1cccc(Cl)c1CNC[C@@H]1C[C@H](F)CN1	841079960	RGAXBOIKGSAKKL-IUCAKERBSA-N	258.724	1.835	10	20	CDCD	
C[C@@H](CO)C1CCN(C(=O)Cc2ccc(N)cc2)CC1	846696282	DTCWLIIERARWDT-LBPRGKRZSA-N	276.380	1.678	10	20	CDCD	
N[C@H]1CCCN(Cc2cc(Cl)cc([N+](=O)[O-])c2O)C1	843044206	YGDBSQFGSMXFKF-JTQLQIEISA-N	285.731	1.877	10	20	CDCD	
COc1ccc(N2CCC(NCC[C@H](C)N)CC2)cc1	841034126	BBFCRUSCODRPPP-ZDUSSCGKSA-N	277.412	1.991	10	20	CDCD	
COc1ccc(O)c(CN(C[C@H](C)O)C2CC2)c1	848929690	YTAKFLONSMMLGX-JTQLQIEISA-N	251.326	1.746	10	20	CDCD	
NC[C@H]1CCCC[C@@H]1NCc1cc2c(cc1O)OCO2	841029507	HVZXHQXQBNSHMW-PWSUYJOCSA-N	278.352	1.728	10	20	CDCD	
CNC(=O)[C@@H]1CCC[C@H]1N[C@H](C)c1cc(OC)ccc1O	756776059	VHVJWAMSSJCSND-MPKXVKKWSA-N	292.379	1.966	10	20	CDCD	
Cc1cnc(COC(=O)c2cccc(O)c2O)cn1	758545761	CDEKKHPVTQMEKZ-UHFFFAOYSA-N	260.249	1.553	10	20	CDCD	
Cc1ccc([C@@H](C)NCCN2CC[C@H](O)C2)c(O)c1C	858601663	IDIZMRRPZUUKSW-KGLIPLIRSA-N	278.396	1.726	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NC[C@H](C)N(C)C)c1	858517359	GUAYNKCYXPZQGX-NSHDSACASA-N	265.357	1.450	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)NC/C=C\CO)c1	850507452	GSIIEDCRKGWGMC-UMBAGQNISA-N	265.309	1.378	10	20	CDCD	
CCn1ncnc1CNC(=O)NCc1cc(C)ccc1O	858415014	KNFHIXYJYQDANQ-UHFFFAOYSA-N	289.339	1.311	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)OCC(=O)[C@H]1CCOC1	762924004	JLLOQZAPZJKHIK-MORRKMRCSA-N	292.287	1.260	10	20	CDCD	
COc1cccc(CNC(=O)c2cncnc2)c1O	760917654	GGCVHTGOHXPDTQ-UHFFFAOYSA-N	259.265	1.121	10	20	CDCD	
CNC(=O)[C@H]1CCC[C@@H]1NCc1ccc(N(C)C)cc1	765799987	ZYPKEWBHKGPNFV-GJZGRUSLSA-N	275.396	1.757	10	20	CDCD	
CCO[C@@H]1COCC[C@@H]1NC(=O)c1ccc(C)c(O)c1O	760053886	RSJURPMDDVSRBI-NWDGAFQWSA-N	295.335	1.330	10	20	CDCD	
Cc1cccc(O)c1CN1CCc2nn(C)c(=O)cc2C1	876774888	JNYWXPHKMJEJJP-UHFFFAOYSA-N	285.347	1.353	10	20	CDCD	
CN(C(=O)/C=C/CN1CCOCC1)c1ccc(N)cc1	877075470	DDEBAHVONONENK-NSCUHMNNSA-N	275.352	1.120	10	20	CDCD	
C[C@@H]1C(=O)NCCN1Cc1cc(Cl)cc(F)c1O	775666348	WFBVCTHRLLJODJ-SSDOTTSWSA-N	272.707	1.505	10	20	CDCD	
CN(Cc1ccon1)C(=O)/C=C\c1ccc(O)c(O)c1	779519248	IYQTTXWGDHWERJ-HYXAFXHYSA-N	274.276	1.758	10	20	CDCD	
Cc1ccc(CNCCn2cc([N+](=O)[O-])cn2)c(O)c1	877095747	SWHRHERBTIBDFL-UHFFFAOYSA-N	276.296	1.595	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NC[C@@H]2COC(C)(C)O2)c1	875480096	OHIYBJKYEMQGCB-GFCCVEGCSA-N	294.351	1.651	10	20	CDCD	
CO[C@H]1COCC[C@@H]1CNCc1c(C)cccc1O	877563331	JNUSBHMXKXWREA-DOMZBBRYSA-N	265.353	1.842	10	20	CDCD	
COC(=O)CN(Cc1c(O)cccc1OC)C1CC1	770282281	ZXVNVWMFWLKICQ-UHFFFAOYSA-N	265.309	1.538	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CNCC1(C)C	884306084	SLRRIABXUPKYDI-OAHLLOKOSA-N	289.423	1.957	10	20	CDCD	
CN1CCCC[C@H]1C(=O)OCC(=O)c1ccc(O)c(O)c1	783775352	FLKPPEIVJHAVHP-NSHDSACASA-N	293.319	1.308	10	20	CDCD	
CCOCCCC(=O)OCC(=O)c1ccc(O)c(O)c1	782898150	JTOWAXLIEQGHOA-UHFFFAOYSA-N	282.292	1.640	10	20	CDCD	
COc1ccc(CN2CCC[C@H](C(N)=O)C2)c(O)c1OC	891395628	UYXKOUWIEJQPNQ-NSHDSACASA-N	294.351	1.107	10	20	CDCD	
Cc1cccc(CN2C[C@@H](O)C[C@@]2(C)CO)c1O	895328493	GPVVOMXBSPBBLH-JSGCOSHPSA-N	251.326	1.018	10	20	CDCD	
O=C(NC1CC1)[C@@H]1CCCN1Cc1cc(F)cc(F)c1O	893954906	QKZPCWLEPQQUKW-ZDUSSCGKSA-N	296.317	1.913	10	20	CDCD	
CN(C)[C@H](CNC(=O)c1cccc(O)c1O)C1CC1	790562975	RVRULNGLWCRTQK-LLVKDONJSA-N	264.325	1.168	10	20	CDCD	
COc1ccc(CNC(=O)NCc2cc(C)on2)c(O)c1	792850179	ZWWDEBARGFJVNQ-UHFFFAOYSA-N	291.307	1.697	10	20	CDCD	
COc1ccc(O)c([C@H](C)N[C@@H]2CCN(C3CC3)C2=O)c1	1320609731	JXVMIYVTHZZUTC-IINYFYTJSA-N	290.363	1.815	10	20	CDCD	
O=C(C[C@H]1COC(=O)C1)Nc1c(Cl)ccc2nonc12	1324141982	SJEMMKLKENBIOF-ZCFIWIBFSA-N	295.682	1.768	10	20	CDCD	
C[C@@H]1CN(C2CCOCC2)CCN1Cc1ccc(N)cc1	1336286533	RALYEOQKTLZSRF-CQSZACIVSA-N	289.423	1.954	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@H]2C[C@H]3C=C[C@H]2NC3)cc1	1353449069	ZINKLGMKOYBATG-VNQPRFMTSA-N	285.391	1.533	10	20	CDCD	
C[C@H](CCO)CN[C@H](C)c1cccc(-c2nn[nH]n2)c1O	1603495180	IJKJFOQDLSQTMI-NXEZZACHSA-N	291.355	1.241	10	20	CDCD	
C[C@H](N[C@@H]1CCOC1)c1cc(C(=O)O)ccc1O	1609786928	RQJKIXVKJOHOLA-WCBMZHEXSA-N	251.282	1.530	10	20	CDCD	
Cc1conc1CNC(=O)NCc1ccc(N)cc1	1579831142	ZDGYJHWJMZRUIJ-UHFFFAOYSA-N	260.297	1.565	10	20	CDCD	
CC[C@H](CNCc1c(O)cccc1OC)C(=O)O	1589552155	KVCDQBKECJHSON-SECBINFHSA-N	253.298	1.601	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)c2cc(C(=O)O)nn2C)c1	1594373128	COCWDLCTLXJMCC-UHFFFAOYSA-N	289.291	1.062	10	20	CDCD	
O=C(Cc1ccccc1O)NCc1ccccc1O	134240788	SEQKYKJRYQXOEP-UHFFFAOYSA-N	257.289	1.957	10	20	CDCD	
Cc1ccc(CNCC2(S(C)(=O)=O)CC2)c(O)c1	877488910	PSEUTCSUCSXEGF-UHFFFAOYSA-N	269.366	1.367	10	20	CDCD	
Oc1cc2c(cc1CNC[C@@H]1CCCOC1)OCO2	42880297	PMPWPKAMRDFHCZ-JTQLQIEISA-N	265.309	1.637	10	20	CDCD	
C[C@H](NCc1ccc2c(c1)CCO2)c1nncn1C	37363309	MSBRUXDEBRQMLI-JTQLQIEISA-N	258.325	1.601	10	20	CDCD	
CN(C)c1ccc(CN2CCC[C@H]3CNC[C@H]32)cc1	299922154	RXHRACRQHSTAPJ-GOEBONIOSA-N	259.397	1.936	10	20	CDCD	
CCOc1cccc(CNCCc2cnccn2)c1O	390211914	OCJOVMUNKSDVOJ-UHFFFAOYSA-N	273.336	1.913	10	20	CDCD	
CN1CCN(c2ccc(CNCCCCO)cc2)CC1	107797340	FCMFKHJGCKBONZ-UHFFFAOYSA-N	277.412	1.301	10	20	CDCD	
CCOCCCNC(=O)[C@@H](C)N(C)Cc1ccccc1O	109772283	TYXUVNCFGBRQEJ-CYBMUJFWSA-N	294.395	1.755	10	20	CDCD	
CN1c2ccccc2C(=O)N[C@@H]1c1cc2c(cc1O)OCO2	63494824	BREPZMLUKUYDJR-HNNXBMFYSA-N	298.298	1.999	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NCCC[S@](C)=O)cc1	116963154	CNKKIJHAASYYED-HXUWFJFHSA-N	297.424	1.320	10	20	CDCD	
COC(=O)[C@H](O)C1CCN(Cc2ccccc2O)CC1	179586434	UFRHZZXVMWHFOL-CQSZACIVSA-N	279.336	1.138	10	20	CDCD	
CN1C(=O)C(=Cc2ccc3c(c2)CCN3C)C(=O)N(C)C1=O	129686263	YEMRDYCVGLVOPA-UHFFFAOYSA-N	299.330	1.113	10	20	CDCD	
C[C@H](O)C[C@H]1CCCN1C(=O)/C=C/c1ccc(O)c(O)c1	181254372	DHQXSALNOYXBQU-VAFIWLDWSA-N	291.347	1.873	10	20	CDCD	
Cn1ncc2c1CCC[C@H]2NC(=O)Cc1ccc(N)cc1	37043087	FJQREPDXBLNIOC-CQSZACIVSA-N	284.363	1.739	10	20	CDCD	
C[C@@H](N)[C@H]1CN(Cc2cc(F)ccc2O)CCO1	220331026	JPVANDYIRPXECW-NOZJJQNGSA-N	254.305	1.079	10	20	CDCD	
COC[C@@H](CO)N[C@@H](C)c1cc(OC)ccc1O	234889737	SBQGNBPUBUKLFP-VHSXEESVSA-N	255.314	1.059	10	20	CDCD	
Cc1c(CNC(=O)Nc2cn(C)nn2)n(C)c2ccccc12	361892617	GKOOMNLHPHJYGX-UHFFFAOYSA-N	298.350	1.937	10	20	CDCD	
COC(=O)[C@@H]1CCN(C(=O)c2cccc(O)c2O)C[C@H]1C	276626580	PAZANSQDTRJASR-NXEZZACHSA-N	293.319	1.369	10	20	CDCD	
CCOc1cccc(CN2CCNC(=O)C[C@H]2C)c1O	367669831	LYOSETJOLMZAHB-LLVKDONJSA-N	278.352	1.501	10	20	CDCD	
COc1ccc(N(C)C[C@@H]2CCS(=O)(=O)C2)c(OC)c1	279693092	HWUVCZKWBYXHOW-NSHDSACASA-N	299.392	1.575	10	20	CDCD	
C[C@H]1CCNC(=O)[C@@H]1NCc1ccc(N(C)C)c(F)c1	282367957	NTLPUNJJVZYBBW-IINYFYTJSA-N	279.359	1.506	10	20	CDCD	
CCOC1CC(O)(CN[C@H]2CCc3cccc(O)c32)C1	296601536	XSXRWIPIFHJVKT-UYJPIKCFSA-N	277.364	1.899	10	20	CDCD	
OC/C=C/CNCc1cc(Br)cc(F)c1O	715743657	CXFMHPKZABBCAV-OWOJBTEDSA-N	290.132	1.932	10	20	CDCD	
CCOC(=O)[C@@H](F)C1CN(Cc2cc(F)ccc2O)C1	816634373	GMSUDBHWPAOKGM-ZDUSSCGKSA-N	285.290	1.864	10	20	CDCD	
CC[C@H]1CN(C)CCN1Cc1cc(OC)c(OC)cc1O	816660574	IZMQRKBFTLILKS-ZDUSSCGKSA-N	294.395	1.935	10	20	CDCD	
C[C@@H]1CN(Cc2cc(Cl)c(F)cc2O)C[C@H](CO)O1	816587922	AKYVTESQLDIVRO-PSASIEDQSA-N	289.734	1.766	10	20	CDCD	
Cn1cc(/C=C/C(=O)N2C[C@@H](N)Cc3ccccc32)cn1	818019420	DVWSNLOBTYBUMF-UZYOAWRESA-N	282.347	1.350	10	20	CDCD	
Cc1cc(Cl)cc(CN2CCO[C@H](C(=O)O)C2)c1O	820976968	YHJKLHGXROCREA-NSHDSACASA-N	285.727	1.639	10	20	CDCD	
Nc1cnc(C(=O)NCCCSc2nccs2)cn1	829528184	MQOWRKVUBSCMEK-UHFFFAOYSA-N	295.393	1.428	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NCCC(C)(C)CO)cc1	836226363	QHSZLQTXDQMVAI-UHFFFAOYSA-N	293.411	1.960	10	20	CDCD	
O=C(c1c(F)ccc(O)c1O)N1[C@H]2CC[C@H]1COC2	839800940	ZCTDBVWDSDIDBK-YUMQZZPRSA-N	267.256	1.240	10	20	CDCD	
CCN(CC)C(=O)CN(C)c1ccc(OCC(=O)O)cc1	833653993	UEEQHFJBKUPMFH-UHFFFAOYSA-N	294.351	1.455	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)C1CCSCC1	910955799	UMNDFIHPFYMQRY-UHFFFAOYSA-N	267.350	1.857	10	20	CDCD	
CN1CC[C@@H](C(=O)NCc2cc(Cl)ccc2O)C1	846477628	VHSAJSILPBHCEK-SECBINFHSA-N	268.744	1.614	10	20	CDCD	
CC(C)(C)C[C@@H](O)CNC(=O)NCCc1ccc(N)cc1	841954876	QAFWWPGRTZLABD-CQSZACIVSA-N	293.411	1.908	10	20	CDCD	
CN(C)c1ccc([C@@H](N)CNC(=O)[C@H]2CCCCN2)cc1	841846191	KNCMVNWNYQTJAD-LSDHHAIUSA-N	290.411	1.011	10	20	CDCD	
COCCN1C(=O)C2(CC2)N[C@@H]1c1cc(Cl)ccc1O	840837190	HDHDBAINWMYFCA-LBPRGKRZSA-N	296.754	1.655	10	20	CDCD	
CC[C@]1(C)CCN(C(=O)C(=O)Nc2ccc(N)cc2)C1	841069029	LDBBAGYBJJYUSW-OAHLLOKOSA-N	275.352	1.856	10	20	CDCD	
Cc1[nH]nc(C(=O)NCc2ccccc2O)c1[N+](=O)[O-]	749942245	UHHAZNZCYCBZRC-UHFFFAOYSA-N	276.252	1.262	10	20	CDCD	
CC(C)CCNC(=O)C(=O)NCCc1ccc(N)cc1	842213107	HGCNFVOIKLQVEC-UHFFFAOYSA-N	277.368	1.090	10	20	CDCD	
CCOc1ccc(O)c(CN2CC(S(=O)(=O)CC)C2)c1	841886318	MGUQJOCZHFUIGC-UHFFFAOYSA-N	299.392	1.410	10	20	CDCD	
Cc1ccc(NC(=O)C(=O)NCc2ccccc2O)c(C)n1	756170619	SMLSSBHGZQMNEK-UHFFFAOYSA-N	299.330	1.659	10	20	CDCD	
CN(Cc1c(O)ccc2ccncc12)[C@@H]1CCNC1=O	758406994	JJEHRRUBIJBSBS-CYBMUJFWSA-N	271.320	1.261	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NC[C@H]2CCCNC2=O)c1	858536146	FAVFNCYDGDPQCC-LLVKDONJSA-N	291.351	1.026	10	20	CDCD	
CCO[C@H](C(=O)OCC(=O)c1ccc(O)c(O)c1)C1CC1	859866207	ICLVMHWKQVQKNE-AWEZNQCLSA-N	294.303	1.639	10	20	CDCD	
CC[C@@H](C)NC(=O)[C@H](C)OC(=O)c1cccc(O)c1O	758563158	UOTFJKFHFLIRRV-BDAKNGLRSA-N	281.308	1.558	10	20	CDCD	
COCCn1cc(C(=O)N(C)Cc2ccccc2O)cn1	866597511	VBDYUSWXYWGCPD-UHFFFAOYSA-N	289.335	1.507	10	20	CDCD	
C[C@@H](NC(=O)NC[C@H]1CCCN1C)c1ccccc1O	868361659	FECWCLQYJINHPD-VXGBXAGGSA-N	277.368	1.847	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2C[C@H]3C[C@@H]3C2)c1O	862443477	PKBGAJAXMNZDLI-NXEZZACHSA-N	264.281	1.761	10	20	CDCD	
CCOC1CCN(Cc2cc3c(cc2O)OC[C@@H]3O)CC1	768443232	RVCIXAHLFAAKAX-HNNXBMFYSA-N	293.363	1.819	10	20	CDCD	
CNC(=O)[C@H]1CCC[C@@H]1NC(=O)NCc1ccccc1O	765782303	NINKJBFHZAVWDF-RYUDHWBXSA-N	291.351	1.106	10	20	CDCD	
COC(=O)CN(C)Cc1ccc(N2CCC(O)CC2)cc1	876587796	QSZKCENNPZRLNB-UHFFFAOYSA-N	292.379	1.253	10	20	CDCD	
CO[C@@H](C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	773006924	GLSLFJUGWWFKEY-QWRGUYRKSA-N	250.342	1.965	10	20	CDCD	
COc1ccc(O)c(CNC(=O)N[C@H]2CCO[C@H](C)C2)c1	770271235	FKMBWYXNOMLIGO-PWSUYJOCSA-N	294.351	1.768	10	20	CDCD	
O=C(N[C@@H](CCO)c1ccccc1)c1cccc(O)c1O	776353744	BVPPXXPTWIBVOK-ZDUSSCGKSA-N	287.315	1.951	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@](C)(CO)C2CC2)c1O	775048624	MHLKUUDANFZLRG-CQSZACIVSA-N	296.323	1.560	10	20	CDCD	
CC(C)(CO)CNC(=O)/C=C/c1ccc(O)c(O)c1	779538337	VHYURJDJWHVPHT-GQCTYLIASA-N	265.309	1.246	10	20	CDCD	
C[C@@H]1NC(=S)N([C@@H](C)c2ccc(N(C)C)cc2)C1=O	773899569	QGKGHZVOEWMJIN-UWVGGRQHSA-N	277.393	1.919	10	20	CDCD	
CCN(C)c1ccc(CN(C)Cc2nc[nH]n2)cc1	773755853	REBJGZRFXOOGPW-UHFFFAOYSA-N	259.357	1.893	10	20	CDCD	
C[C@H](NCCCc1cnn(C)n1)c1c(O)cccc1F	886614332	UDGXZOFWRZINCW-JTQLQIEISA-N	278.331	1.943	10	20	CDCD	
Oc1c(F)cc(F)cc1CNC[C@H](O)C1CCOCC1	883015898	HVWRNHQYAXTDKP-ZDUSSCGKSA-N	287.306	1.548	10	20	CDCD	
CC(C)[C@@H](F)C(=O)NCCc1ccc(O)c(O)c1	784447095	TXVYHANLDBQWLT-GFCCVEGCSA-N	255.289	1.751	10	20	CDCD	
COc1cc(C)cc(CN[C@H]2CCN(C(C)C)C2=O)c1O	894275881	JRZUJGWCRRGXTH-ZDUSSCGKSA-N	292.379	1.808	10	20	CDCD	
C[C@@H]1OCC[C@]1(O)CNCc1cc(Cl)cc(F)c1O	789775820	BZUJIWGIJNQNLG-SDBXPKJASA-N	289.734	1.814	10	20	CDCD	
Cc1noc(C2CN(Cc3cc(F)cc(F)c3O)C2)n1	894969013	CIGHYPFTVWDHQY-UHFFFAOYSA-N	281.262	1.961	10	20	CDCD	
O=C1CN(Cc2cc(F)cc(F)c2O)CN1CC1CC1	894594715	JNAIPVAKQVVESU-UHFFFAOYSA-N	282.290	1.682	10	20	CDCD	
CC(C)(C)C[C@@H](O)CNC(=O)c1cccc(O)c1O	192878199	YYBQOCKYGSUBMG-SECBINFHSA-N	267.325	1.625	10	20	CDCD	
COc1ccc(N2CCCN(C[C@@H](C)O)CC2)cc1	194950965	KMLMVGDKCDSXHM-CYBMUJFWSA-N	264.369	1.588	10	20	CDCD	
CCOCCOC[C@H](O)CN[C@H](C)c1cc(C)ccc1O	790757975	ALORFRWRJKTBKX-ZIAGYGMSSA-N	297.395	1.765	10	20	CDCD	
C[C@@H](NC(=O)CO[C@@H]1CCCNC1)c1ccccc1O	877256539	ZBWMRNHEGWNRKJ-VXGBXAGGSA-N	278.352	1.338	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](C)n1ccnc1	1320690102	DYLGZRCTISGXLS-GHMZBOCLSA-N	289.335	1.603	10	20	CDCD	
CCN(C(=O)NCc1ccc(N(C)C)cc1)[C@H]1CCNC1	1334160790	GVGJCBDZPWSUCI-HNNXBMFYSA-N	290.411	1.646	10	20	CDCD	
Cc1ccc(O)c(CNS(=O)(=O)c2cnn(C)c2C)c1	1348156228	DBFYPQYFYKFSLN-UHFFFAOYSA-N	295.364	1.221	10	20	CDCD	
C[C@H]1CCOCCN1C(=O)NCc1ccc(N)cc1	1357790552	CXPHXBFEBLNBLV-NSHDSACASA-N	263.341	1.589	10	20	CDCD	
COc1ccc(CNC(=O)NC2CC(C(=O)O)C2)c(O)c1	1607257577	BVYISZNVVUSBTK-UHFFFAOYSA-N	294.307	1.063	10	20	CDCD	
Cc1cc(CN2C[C@H](O)C[C@H]2C(=O)O)ccc1N(C)C	1600193052	VSFCGPYSUYVQCM-OCCSQVGLSA-N	278.352	1.081	10	20	CDCD	
O=C(O)C[C@H]1CSCCN1C(=O)c1cc(O)cs1	1601967704	JIZKWBSKKVLCFV-ZETCQYMHSA-N	287.362	1.486	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)C23CC(C(=O)O)(C2)C3)c1	1607811507	XSKUKMYZKAGVHU-UHFFFAOYSA-N	275.304	1.572	10	20	CDCD	
O=C(Cc1ccc(O)c(O)c1)NC[C@H](CC1CC1)C(=O)O	1601360476	CKGSYWWLWNOZHU-NSHDSACASA-N	293.319	1.257	10	20	CDCD	
C[C@H](NCc1ccnn1C)c1cccc(-c2nn[nH]n2)c1O	1603670392	GSFSAERXCOBZBT-VIFPVBQESA-N	299.338	1.157	10	20	CDCD	
O=C(O)CCC(=O)COC(=O)/C=C/c1ccc(O)c(O)c1	1610766173	QRHBPIJIMMLCGC-QHHAFSJGSA-N	294.259	1.088	10	20	CDCD	
C[C@@H](CC(=O)NCc1cccc(O)c1O)N1CCCC1=O	1548791504	FZJKIVIVXXYKCV-JTQLQIEISA-N	292.335	1.115	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC[C@]2(O)CCCNC2)c1	1574034097	WOIHCADFVKUBIW-NHYWBVRUSA-N	280.368	1.166	10	20	CDCD	
C/C(=C/CNC(=O)N(C)Cc1ccccc1O)C(=O)O	1588966912	MDWCFXZMEAYGDU-YFHOEESVSA-N	278.308	1.565	10	20	CDCD	
CCOc1ccc(CN(CCC(=O)O)CC(=O)O)c(O)c1	1597100460	LVUPNQSFSRNSFO-UHFFFAOYSA-N	297.307	1.152	10	20	CDCD	
COc1cc(C)cc(CN2CCOC[C@H]2CC(=O)O)c1O	1599392588	OJYGYGMLTYRAEH-GFCCVEGCSA-N	295.335	1.385	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@@H](C(=O)O)C(C)C)c1	1593882934	INSKGIZACVPBBL-TVQRCGJNSA-N	295.335	1.939	10	20	CDCD	
COc1cccc(CN[C@H](C)C[S@@](C)=O)c1O	168191524	YNDLLXRSCJYQTN-XLFHBGCDSA-N	257.355	1.257	10	20	CDCD	
CCN(CC)C(=O)CNCc1ccc2c(c1)CCCO2	921596655	ZVQKGQHLVJDAIK-UHFFFAOYSA-N	276.380	1.970	10	20	CDCD	
c1cc2c(cc1CNCCO[C@@H]1CCOC1)CCCO2	922936038	XDCDDILFLQPJSS-OAHLLOKOSA-N	277.364	1.907	10	20	CDCD	
CCOc1cccc(CNCCOCCOC)c1O	44693542	JEJMZPUWFVXTPS-UHFFFAOYSA-N	269.341	1.544	10	20	CDCD	
C[S@](=O)CCCNCc1cc(Cl)ccc1O	116918449	PZBCLGQMWBDRSL-MRXNPFEDSA-N	261.774	1.904	10	20	CDCD	
COC(=O)C[C@@H]1CN(Cc2c(O)cccc2Cl)CCO1	127213296	JVBYRAZONWMEDA-SNVBAGLBSA-N	299.754	1.810	10	20	CDCD	
COc1cc(N2CC[C@H](C(=O)O)C2)c([N+](=O)[O-])cc1OC	213806792	GDTJYVHXONYYPG-QMMMGPOBSA-N	296.279	1.523	10	20	CDCD	
CC(=O)OC(C)(C)C(=O)NCc1ccc(N(C)C)c(F)c1	188814968	LEMRUHHZGDADFE-UHFFFAOYSA-N	296.342	1.850	10	20	CDCD	
Cc1cc(C)c(O)c(CN2CCC(C(N)=O)CC2)c1	125451654	KKIJAYKQHILQAA-UHFFFAOYSA-N	262.353	1.706	10	20	CDCD	
OCC[C@@H](NCc1cc2c(cc1O)OCO2)c1ccco1	184508508	PLEYVIVXKYWCSX-LLVKDONJSA-N	291.303	1.927	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H]2CCc3[nH]ncc3C2)c(O)c1O	182445326	UBHATOUFVYHIBF-SNVBAGLBSA-N	287.319	1.417	10	20	CDCD	
COC[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C1CC1	181247847	VQMAOLPILKVUGE-QBODLPLBSA-N	277.320	1.652	10	20	CDCD	
C[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)CC[C@@H]1O	190046589	OACKOOBBXCVHBD-PBHICJAKSA-N	290.407	1.726	10	20	CDCD	
COC(=O)[C@H](C)CN(C)Cc1cc(C)ccc1O	91986938	IXMQTGNSTMSYEK-LLVKDONJSA-N	251.326	1.942	10	20	CDCD	
CCN(CC)c1ccc(CN2C[C@@H](O)[C@H](O)C2)cc1	278460977	ZVUCBPKWHATXGY-HUUCEWRRSA-N	264.369	1.070	10	20	CDCD	
CC(C)C(=O)NCCN[C@@H](C)c1cc([N+](=O)[O-])ccc1O	273407612	OVDMNSWWOPWSKE-JTQLQIEISA-N	295.339	1.723	10	20	CDCD	
COc1cccc(CNC[C@H]2CC[C@@H](CO)O2)c1O	292609236	HYOXCJBAGOBWOU-NEPJUHHUSA-N	267.325	1.030	10	20	CDCD	
Cn1cc(/C=C/C(=O)NCc2ccccc2O)cn1	706251253	HTDNQWHZHWPDDW-VOTSOKGWSA-N	257.293	1.455	10	20	CDCD	
COc1cc(O)c(CNC[C@H](CO)C(C)C)cc1OC	809724105	WCIAGSSZLZRAIR-GFCCVEGCSA-N	283.368	1.764	10	20	CDCD	
COC(=O)c1cnc(SC[C@@H]2CCOCO2)s1	295283242	KTYQRXPMOMSVNK-ZETCQYMHSA-N	275.351	1.785	10	20	CDCD	
CN(C(=O)/C=C\c1ccc(O)c(O)c1)[C@@H]1CCCOC1	804286504	JZPGWNWXJYUUCE-SMYYYNMVSA-N	277.320	1.748	10	20	CDCD	
CC(=O)C(=O)Cn1cnc2sc3c(c2c1=O)CCC3	808009472	HPZSQSJECWFPNI-UHFFFAOYSA-N	276.317	1.105	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NCCCN2CCNCC2)c1	817934705	BHAKPKBKONTZJM-CYBMUJFWSA-N	293.411	1.347	10	20	CDCD	
COc1cc(C)cc(CN2CCn3cncc3C2)c1O	811786928	AHXPQLCXTUCLDT-UHFFFAOYSA-N	273.336	1.922	10	20	CDCD	
CCOc1ccc(CN2C[C@H]3C[C@H]2C(=O)O3)c(O)c1	824626039	TXXRJJUKWUVOSI-NEPJUHHUSA-N	263.293	1.291	10	20	CDCD	
COC(=O)C1(NC(=O)c2cc(O)cs2)CCCC1	823198182	GXQLAQIDHQLXAF-UHFFFAOYSA-N	269.322	1.669	10	20	CDCD	
C[C@@H](NC(=O)COCc1ccnn1C)c1ccccc1O	827946537	LDFVGRAPBHGSSC-LLVKDONJSA-N	289.335	1.520	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@]2(C(=O)O)C[C@H]2C)c1	901609177	NKUCPIQHBLYARO-OLBFVZFUSA-N	293.319	1.689	10	20	CDCD	
O=C(O)[C@@H]1CN(Cc2c(O)ccc3ccncc23)CCO1	738548990	NHLJOXYXCJXEGN-AWEZNQCLSA-N	288.303	1.226	10	20	CDCD	
O=C(NCc1ncc2c(n1)CCC2)c1cccc(O)c1O	909680610	YBAOQMSJOJYDDS-UHFFFAOYSA-N	285.303	1.307	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CC(C)=NO2)c1	830539860	AOTWBGRRZGQSDR-NOZJJQNGSA-N	278.308	1.743	10	20	CDCD	
COC[C@@H](C)NC(=S)NCCc1ccc(O)c(O)c1	916114550	UQDPJDSZVXMPTF-SECBINFHSA-N	284.381	1.139	10	20	CDCD	
CCNCCNCc1cc(OC)c(OC)cc1O	841038182	XRSUVYVVHBMCCI-UHFFFAOYSA-N	254.330	1.109	10	20	CDCD	
C[C@H]1CCN(C(=O)NCCc2ccc(N)cc2)[C@H]1CO	841957938	FSQGXEHYJACAAI-FZMZJTMJSA-N	277.368	1.224	10	20	CDCD	
CC(Cl)(Cl)C(=O)NCc1ccc(O)cc1O	910950279	VIINIFKCGWJVBZ-UHFFFAOYSA-N	264.108	1.908	10	20	CDCD	
O=C(COC[C@H]1CCCO1)NCc1cc(Cl)ccc1O	846475837	LAULOSARELIVCD-GFCCVEGCSA-N	299.754	1.857	10	20	CDCD	
NC1(CNCc2cc3c(cc2O)OCO3)CCCC1	849349841	KXUFDCHMKVCFMS-UHFFFAOYSA-N	264.325	1.482	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)C1CC(=O)C1	935948928	SQMBABGHJBJCGS-UHFFFAOYSA-N	268.309	1.473	10	20	CDCD	
COc1cc(N(C)CC2(O)CCC2)c([N+](=O)[O-])cc1OC	758935596	YQBLBGIAYXPTAO-UHFFFAOYSA-N	296.323	1.963	10	20	CDCD	
NCc1ccc2c(c1)CCCN2CC(=O)Nc1ccccn1	866659634	QBQWMWAZFGZBJW-UHFFFAOYSA-N	296.374	1.932	10	20	CDCD	
Cc1ccc(CNCC2([S@](C)=O)CC2)c(O)c1	877499155	LVYVIENUTNNECB-KRWDZBQOSA-N	253.367	1.701	10	20	CDCD	
CC[C@@H](N[C@@H]1CCOC[C@H]1O)c1ccc(F)cc1O	872140721	WRPACHOTQAYWGK-YRGRVCCFSA-N	269.316	1.722	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)CC[C@]1(C)CCC(=O)N1	770553771	ZICSOKOCDSMIDJ-INIZCTEOSA-N	290.363	1.800	10	20	CDCD	
COCCN(CCC(=O)OC)Cc1ccccc1O	770510104	JHAMETNBJJJQJW-UHFFFAOYSA-N	267.325	1.404	10	20	CDCD	
CC1=NO[C@@H](CNC(=O)N[C@H](C)c2ccccc2O)C1	875952726	BXQUJJOYBWWECD-GHMZBOCLSA-N	277.324	1.917	10	20	CDCD	
Cn1cc(/C=C/C(=O)NCc2ccc(O)c(O)c2)cn1	778914946	PDQMKSSQGYAJBC-HWKANZROSA-N	273.292	1.161	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2C[C@H]3C[C@]3(CO)C2)c1O	775098519	WXENXMANBMSCRI-QMTHXVAHSA-N	294.307	1.123	10	20	CDCD	
C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1ncnn1C	789864865	NAXRSTMLYCUIHJ-OTQAPUNGSA-N	288.307	1.117	10	20	CDCD	
CC(C)(NCc1ccc(N2CCOCC2)c(F)c1)C(=O)O	789898488	VQEOEARWYDAVSZ-UHFFFAOYSA-N	296.342	1.615	10	20	CDCD	
COc1cc(C)cc(CNCC2(CO)CC2)c1O	894325542	UEYDVGGOQXBIHC-UHFFFAOYSA-N	251.326	1.571	10	20	CDCD	
COc1ccc(CN[C@@H](C)C(=O)NC(C)C)c(O)c1OC	894935528	ZWCPFYJRGYGFGU-JTQLQIEISA-N	296.367	1.412	10	20	CDCD	
COC[C@H](NC(=O)NCc1ccc(OC)cc1O)C(C)C	792955246	DJPHYJBWVNKCQA-ZDUSSCGKSA-N	296.367	1.871	10	20	CDCD	
COC(=O)C[C@@H](C)C(=O)NCc1ccc(OC)cc1O	794382223	ZRBRWBOUPIDUQQ-SECBINFHSA-N	281.308	1.216	10	20	CDCD	
COc1ccc(CNC(=O)NC[C@@H]2CCSC2)c(O)c1	793098695	MAFGAZRRDWWTSW-JTQLQIEISA-N	296.392	1.953	10	20	CDCD	
COC(=O)N(C)CCN[C@H]1CCc2cccc(O)c21	701687092	HLDZYZBGLSDECK-NSHDSACASA-N	264.325	1.667	10	20	CDCD	
CCN(CC)C(=O)C(=O)NCc1ccc(N(C)C)cc1	1321419602	JIIAWCYBJDRJOO-UHFFFAOYSA-N	277.368	1.237	10	20	CDCD	
COc1cccc(CNC(=O)[C@@]2(F)CCOC2)c1O	1326726012	WWQVYDROCZITRG-CYBMUJFWSA-N	269.272	1.146	10	20	CDCD	
O=C(O)[C@H](CC(F)F)NCc1cc(F)cc(F)c1O	1334056037	NLZHZPMUYSCUAB-QMMMGPOBSA-N	281.205	1.868	10	20	CDCD	
CSCc1n[nH]c(CNC(=O)Cc2ccc(N)cc2)n1	1333280127	QRBOIYJMERUANR-UHFFFAOYSA-N	291.380	1.109	10	20	CDCD	
CNC[C@H](C)CNC(=O)N[C@@H](C)c1cc(OC)ccc1O	1331456270	PNOHPBYFLGPPJJ-QWRGUYRKSA-N	295.383	1.617	10	20	CDCD	
COc1ccc(O)c(CN=c2cc[nH]c(-c3nn[nH]n3)c2)c1	1605303031	JFIBGOOZXAASOJ-UHFFFAOYSA-N	298.306	1.010	10	20	CDCD	
Cc1cccc(CN(CC(=O)O)C2CCOCC2)c1O	1600531345	PQVIOMYRFJGSIT-UHFFFAOYSA-N	279.336	1.766	10	20	CDCD	
C[C@H](NCCOCCN)c1ccc(N(C)C)cc1	1576244546	LLONNMJPBZJCBZ-LBPRGKRZSA-N	251.374	1.379	10	20	CDCD	
CC[C@H](O)CN(CC(=O)O)Cc1cc(Cl)ccc1O	1597350535	FFWIADUYIKVOJR-NSHDSACASA-N	287.743	1.703	10	20	CDCD	
C[C@@H](N[C@H](CO)CCF)c1cc(C(=O)O)ccc1O	1593209511	MLSJYPGZFDEGIV-SCZZXKLOSA-N	271.288	1.462	10	20	CDCD	
COC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	5097889	UMMYZSOJDDFNMC-CYBMUJFWSA-N	265.357	1.711	10	20	CDCD	
CCOC(=O)N1CCN(Cc2cccc(OC)c2O)CC1	158402732	JOPHXADJGSAUKJ-UHFFFAOYSA-N	294.351	1.675	10	20	CDCD	
COc1ccc(CNC[C@H]2COCCN2)cc1C	258809697	BKPDBLQNPJFHKS-ZDUSSCGKSA-N	250.342	1.082	10	20	CDCD	
CC[C@H](NCCN1CCNC1=O)c1ccccc1O	808744432	ZVKKISOVIDIHCG-LBPRGKRZSA-N	263.341	1.458	10	20	CDCD	
COc1ccc(N(C)CCN2CCCS2(=O)=O)cc1	844353569	ZAOAXYREWIDWED-UHFFFAOYSA-N	284.381	1.167	10	20	CDCD	
COc1ccc(O)c([C@H](C)NCC(=O)NC(C)C)c1	36781580	NNXBPWGCPMKSMS-JTQLQIEISA-N	266.341	1.576	10	20	CDCD	
COc1ccc(O)c(CN[C@H](C)Cn2ccnc2)c1	37156904	WDYMTPYTINUPLL-LLVKDONJSA-N	261.325	1.776	10	20	CDCD	
COc1cc(Cl)cc(CN(C)[C@@H]2CCN(C)C2=O)c1O	273752160	NROAEEHDJNCIBK-LLVKDONJSA-N	298.770	1.717	10	20	CDCD	
Cc1ccc([C@H](C)N[C@@H]2CCN(S(C)(=O)=O)C2)c(O)c1	400150631	BJAPDAABRWUPOD-NWDGAFQWSA-N	298.408	1.385	10	20	CDCD	
CO[C@@H]1CCCN(Cc2cc3c(cc2O)OCO3)C1	76266301	WEBSCKKDSKOYJV-LLVKDONJSA-N	265.309	1.732	10	20	CDCD	
OC[C@H](CC(F)F)NCc1cc(F)cc(F)c1O	708421487	SZNOWTYYVXCBQA-QMMMGPOBSA-N	267.222	1.776	10	20	CDCD	
CCc1cccc(CNCCCNC(C)=O)c1O	691436663	SOYODNAAARHYJD-UHFFFAOYSA-N	250.342	1.570	10	20	CDCD	
C[C@@H](NC(=O)[C@H]1CSCN1)c1ccccc1O	877255835	IGGCHKKTJNKXBM-PSASIEDQSA-N	252.339	1.232	10	20	CDCD	
c1cc2c(cc1CN[C@H]1C[C@H]3CN[C@@H](C3)C1)CCO2	1580891130	RVZIONZMCRDPSV-SNPRPXQTSA-N	258.365	1.852	10	20	CDCD	
COc1ccc(N(C)C[C@@H](O)Cn2cccn2)cc1OC	64517160	ZPMUBHMNEVPRLD-CYBMUJFWSA-N	291.351	1.398	10	20	CDCD	
Cc1ccc(C(=O)NCC[S@@](=O)C(C)(C)C)c(O)c1O	177685570	GOVHBBAUNKEAIJ-HXUWFJFHSA-N	299.392	1.683	10	20	CDCD	
COC(=O)COc1ccc(N(C)Cc2nnc(C)o2)cc1	183799585	DWBUCBRMHUMNOR-UHFFFAOYSA-N	291.307	1.566	10	20	CDCD	
NC(=O)N1CCCN(Cc2cc(F)ccc2O)CC1	180023645	QEODUJISZVYJQY-UHFFFAOYSA-N	267.304	1.118	10	20	CDCD	
Cc1cccc(CNC[C@@]2(O)CCO[C@@H]2C)c1O	228094661	PQGPFXGZAAQNJY-RISCZKNCSA-N	251.326	1.330	10	20	CDCD	
C[C@H]1CCS(=O)(=O)CCN1Cc1cc(F)ccc1O	192055991	VOUXZKJPXGCIHU-JTQLQIEISA-N	287.356	1.540	10	20	CDCD	
COc1ccc(O)c(CNCCOCC2CC2)c1	224809053	YJVUJWVEVQJDGI-UHFFFAOYSA-N	251.326	1.917	10	20	CDCD	
CC(C)CN1CC[C@@H](CNC(=O)c2cccc(O)c2O)C1	193132084	ZUHDWLQAFZBXIB-LBPRGKRZSA-N	292.379	1.806	10	20	CDCD	
COC(=O)[C@@H]1[C@H](O)CCCN1Cc1ccc(N(C)C)cc1	249247603	BGTGUNVUAKPHLT-CABCVRRESA-N	292.379	1.251	10	20	CDCD	
OC[C@@H](C[C@@H](O)c1ccccc1)NCc1ccccc1O	269892505	CQYRFCGLUQMLLN-NVXWUHKLSA-N	287.359	1.966	10	20	CDCD	
O=C(c1c(F)ccc(O)c1O)N1CCN(CC2CC2)CC1	276664199	YKCCTQMLBFNZNH-UHFFFAOYSA-N	294.326	1.405	10	20	CDCD	
CCN(CC)[C@@H]1CCN(C(=O)c2c(F)ccc(O)c2O)C1	276561356	IZUZNLICJMRNND-SNVBAGLBSA-N	296.342	1.793	10	20	CDCD	
C[C@H]1CCNC(=O)[C@H]1NCc1ccc(N(C)C)c(F)c1	282367952	NTLPUNJJVZYBBW-HZMBPMFUSA-N	279.359	1.506	10	20	CDCD	
COCCN(CCN(C)C)Cc1ccc(N(C)C)cc1	289543840	XAJITYNRMVDPQZ-UHFFFAOYSA-N	279.428	1.763	10	20	CDCD	
CCCCN(Cc1ccccc1O)C(=O)CN(C)C(C)=O	282531385	QKYPJLWOHSAAMJ-UHFFFAOYSA-N	292.379	1.999	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)C[C@H](C)N	828145101	XUSFFJIFJMQPSY-NSHDSACASA-N	250.342	1.868	10	20	CDCD	
COc1cc(O)c(CN(C)Cc2noc(C)n2)cc1OC	827891245	FEMVKLXSXLBAAT-UHFFFAOYSA-N	293.323	1.733	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)CN2CCOC2=O)c1	821065929	SWQIPNJRXNGTLI-SECBINFHSA-N	294.307	1.030	10	20	CDCD	
CC(C)(N)C(=O)NCc1c(O)ccc2c1CCCC2	830597962	XABHUZFCQCXWCP-UHFFFAOYSA-N	262.353	1.625	10	20	CDCD	
CN(C)c1ccc(CNS(=O)(=O)C2(C)CC2)cc1F	830298150	UYAJEDQVGRHDFI-UHFFFAOYSA-N	286.372	1.864	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)C[C@@H]1CCC(=O)N1C	830141495	VKDCTZUMBYDLKJ-LBPRGKRZSA-N	276.336	1.362	10	20	CDCD	
COc1ccc(O)c(CNC(=O)NC[C@]2(C)CCOC2)c1	734068689	GCNCEJYQYBBKMZ-HNNXBMFYSA-N	294.351	1.627	10	20	CDCD	
CN(C)CC(C)(C)NCc1cc([N+](=O)[O-])ccc1O	835070007	OTSFEPKITLWLRW-UHFFFAOYSA-N	267.329	1.730	10	20	CDCD	
COc1cc(C)cc(CN2CCN(C(C)=O)CC2)c1O	915790476	GMSFVHHPOHTPDI-UHFFFAOYSA-N	278.352	1.373	10	20	CDCD	
CCCN(C)CC(=O)NC[C@@H](N)c1ccc(N(C)C)cc1	832273577	OUEYHNGUKOZHOB-OAHLLOKOSA-N	292.427	1.210	10	20	CDCD	
COc1cccc([C@@H](C)NCCN2CCO[C@H](C)C2)c1O	846146612	RHTACKLGGFLRGU-CHWSQXEVSA-N	294.395	1.772	10	20	CDCD	
Cc1cc(C)n2nc(C(=O)NCc3ccccc3O)nc2n1	748354002	UOCUXXZUABTGRP-UHFFFAOYSA-N	297.318	1.377	10	20	CDCD	
Cc1cccc(CN[C@@H]2CCc3c(nnn3C)C2)c1O	848925703	DDDDJHGHVAKHPM-GFCCVEGCSA-N	272.352	1.476	10	20	CDCD	
COc1ccc(N2CCN(C(=O)[C@H]3C[C@@H](N)C3)CC2)cc1	843486564	VQAMMWKISOMRSM-BETUJISGSA-N	289.379	1.081	10	20	CDCD	
Cc1noc(CN(C)C(=O)c2cc(O)cs2)n1	848392266	MCONQGUENJGEII-UHFFFAOYSA-N	253.283	1.417	10	20	CDCD	
C[C@H](CCN)NC(=O)NCc1ccc2c(c1)CCCN2C	841760440	VRNLPPCYPZSRCD-GFCCVEGCSA-N	290.411	1.606	10	20	CDCD	
CCc1cccc(CNC[C@@H](O)C2CCOCC2)c1O	848897566	SCTHJXGUTGJVIG-OAHLLOKOSA-N	279.380	1.832	10	20	CDCD	
C[C@H]1C[C@H](C)N(C(=O)C(=O)Nc2ccc(N)cc2)C1	841046865	QAALJWBAJBJFLL-UWVGGRQHSA-N	261.325	1.464	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)CCc2nc[nH]n2)c1	755787630	WCPJQFWKGYDVKI-VIFPVBQESA-N	290.323	1.329	10	20	CDCD	
O=C(NCc1cc(Cl)ccc1O)c1ccon1	857547786	UAFAJSTUUFNANV-UHFFFAOYSA-N	252.657	1.964	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)NCCN2CCC2)c1	756766804	CQMARAMJYYTFDW-NSHDSACASA-N	278.352	1.535	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)CNC(C)C	851631927	GQCLWTOLAZMILA-UHFFFAOYSA-N	263.385	1.675	10	20	CDCD	
Cc1cc(CN(C)Cc2cn(C)nn2)ccc1N(C)C	852553166	MSPNCYDYWSPGFU-UHFFFAOYSA-N	273.384	1.822	10	20	CDCD	
COc1cccc(O)c1CN[C@H]1CCc2c[nH]nc2C1	758505023	KEJHZZPZVISVOA-NSHDSACASA-N	273.336	1.771	10	20	CDCD	
CN(Cc1cc2c(cc1O)OCO2)CC1(C)COC1	862476547	CUKPZJNNXGHQJZ-UHFFFAOYSA-N	265.309	1.589	10	20	CDCD	
Cc1ccc(O)c(CN[C@@H](CCO)C2CCOCC2)c1	763465966	DYCPHQOHAJFGKC-HNNXBMFYSA-N	279.380	1.968	10	20	CDCD	
CN(C)c1cc(F)c(CN2C[C@@H]3C[C@]3(CO)C2)cc1F	862336599	JCNWKBHYRXMXIT-XHDPSFHLSA-N	282.334	1.845	10	20	CDCD	
COC(=O)C[C@@]1(NCc2ccccc2O)CCOC1	766467203	GJDNMDHAONTLLF-AWEZNQCLSA-N	265.309	1.204	10	20	CDCD	
CN(C)CCOc1ccc(N(C)Cc2ccnn2C)cc1	761221261	CTYHPIATJRYDFE-UHFFFAOYSA-N	288.395	1.997	10	20	CDCD	
CC[C@@H](C)NC(=O)CN[C@H](C)c1ccccc1O	879647338	BCNDBAFOJISWGJ-GHMZBOCLSA-N	250.342	1.958	10	20	CDCD	
O=C(O)[C@H]1CCCN(Cc2cccc(F)c2O)C1	874045120	OCGHBTPTQKGNRE-JTQLQIEISA-N	253.273	1.828	10	20	CDCD	
CN(C(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(N)cc1	877080139	HNJIKIUYPHQYIB-LLVKDONJSA-N	289.379	1.879	10	20	CDCD	
C[C@H]1CN(Cc2ccc(N3CCN(C)CC3)cc2)CCO1	775645882	SNFFZKOSLXUFMY-HNNXBMFYSA-N	289.423	1.659	10	20	CDCD	
COC1CCC(C(=O)NCc2ccc(O)c(O)c2)CC1	780935400	KOMRYTFHHMUOCY-UHFFFAOYSA-N	279.336	1.919	10	20	CDCD	
CCn1nc(C)cc1C(=O)NCc1cccc(O)c1O	1123978986	YXAVUDKQRPKYDX-UHFFFAOYSA-N	275.308	1.553	10	20	CDCD	
C[C@@H](NCCN1CCNC1=O)c1ccc(F)cc1O	886744794	GUWYQDDJFNYMKX-SECBINFHSA-N	267.304	1.207	10	20	CDCD	
Oc1c(F)cc(F)cc1CN1CCc2n[nH]cc2C1	895389445	NYWGVLMDWHLQIF-UHFFFAOYSA-N	265.263	1.952	10	20	CDCD	
COc1ccc(CNC[C@@H](C)N(C)C)c(O)c1OC	893344054	KNBKAZFKESOOPK-SNVBAGLBSA-N	268.357	1.449	10	20	CDCD	
O=C(NN1CCc2ccccc2C1=O)c1cc(O)cs1	780718314	WQWVFQDYAQZQLJ-UHFFFAOYSA-N	288.328	1.797	10	20	CDCD	
COC(=O)c1cc(NC(=O)c2cccc(O)c2O)cn1C	790873693	ARTNKIHMHUAANJ-UHFFFAOYSA-N	290.275	1.475	10	20	CDCD	
CN(C)c1ccc([C@@H](CNCc2cnc[nH]2)N(C)C)cc1	898447173	GCCLPBHKAIIKMD-MRXNPFEDSA-N	287.411	1.868	10	20	CDCD	
CCC(=O)NCCC1=CCN(c2ccc(C)nn2)CC1	1089795347	XTKLMPXOUJWNFN-UHFFFAOYSA-N	274.368	1.838	10	20	CDCD	
CN1C[C@H](NC(=O)c2ccc(CN=[N+]=[N-])s2)CC1=O	1537963160	XJJHRJSQXCONHD-SSDOTTSWSA-N	279.325	1.519	10	20	CDCD	
CN1CC[C@](O)(CNCc2ccc(N3CCCC3)cc2)C1	1320217323	DMBRVZXUWARSMB-KRWDZBQOSA-N	289.423	1.443	10	20	CDCD	
CC(=O)N[C@@H](C(=O)N(C)Cc1ccccc1O)C(C)C	42117103	RJXQCZMNHIZLMU-CQSZACIVSA-N	278.352	1.511	10	20	CDCD	
COCCN1CC[C@@H](NCc2c(O)cccc2OC)C1	730818588	ZKGDEKGYYNXNPL-GFCCVEGCSA-N	280.368	1.211	10	20	CDCD	
CCC[C@H](O)CNC(=O)NCc1ccc(N)cc1	1336290365	LRSTWBNHFMJYJA-LBPRGKRZSA-N	251.330	1.229	10	20	CDCD	
COC(=O)NC1CN(Cc2cc(F)ccc2O)C1	1261297494	CDDUOXJAIORSTE-UHFFFAOYSA-N	254.261	1.072	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NCCC[S@@](C)=O)c1	1354074017	MLFVLJAZSNGJEN-LJQANCHMSA-N	284.381	1.268	10	20	CDCD	
CC1(C)OC[C@H]2C[C@]21C(=O)NCc1cccc(O)c1O	1352669177	HIJCOKJQBGUFIT-MEBBXXQBSA-N	277.320	1.529	10	20	CDCD	
O=C(NCc1cccc(O)c1O)[C@H]1CCc2nccn2C1	1520508748	LBNZKSZVVKTJRL-NSHDSACASA-N	287.319	1.173	10	20	CDCD	
C[C@@H]1C[C@@]1(C(=O)O)C(=O)N1Cc2cccc(O)c2C1	1605021443	YPLIIOYQEAYVRP-CLAHSXSESA-N	261.277	1.345	10	20	CDCD	
Cc1ccc(C(=O)N2C[C@@H](C)[C@H](C(=O)O)C2)c(O)c1O	1600334246	FSTGWJSDGOOBGP-PSASIEDQSA-N	279.292	1.199	10	20	CDCD	
Cc1cccc(CN[C@@]2(CC(=O)O)CCOC2)c1O	1607852469	LIGDZEYHQDVLJL-CQSZACIVSA-N	265.309	1.424	10	20	CDCD	
CN(C)c1ccc(/C=C\CNC[C@@]2(O)CCNC2)cc1	1578425864	PPCYEJATVQIHQD-QGZUEGPWSA-N	275.396	1.080	10	20	CDCD	
CN(C)c1ccc(CN[C@H](C(=O)O)[C@H]2CCOC2)cc1	1777039717	WKJIXSYSAXSPQW-JSGCOSHPSA-N	278.352	1.332	10	20	CDCD	
CC[C@H](NCc1ccc(N2CC[C@H](O)C2)cc1)C(=O)O	1776721898	WBDSJNLWXOXZGZ-KBPBESRZSA-N	278.352	1.210	10	20	CDCD	
CCC(O)(CC)CNC(=O)Nc1ccc(N)cc1	841301233	GTPWGNMDEPWBMG-UHFFFAOYSA-N	251.330	1.941	10	20	CDCD	
CO[C@@]1(CNCc2cc(C)ccc2O)CCOC1	122881129	GIHCBBJBIDLMRO-CQSZACIVSA-N	251.326	1.596	10	20	CDCD	
CN(C)C[C@](C)(O)CNCc1ccc2c(c1)CCO2	131410530	ZELQUEKTQUUZHL-OAHLLOKOSA-N	264.369	1.024	10	20	CDCD	
C[C@H](N[C@H](C)C(=O)N(C)C)c1ccc(N(C)C)cc1	37267759	FBFQDOKRBYBIGF-NWDGAFQWSA-N	263.385	1.880	10	20	CDCD	
CC(C)CNC(=O)CN[C@H]1CCc2cccc(O)c21	311780999	YLQOZRRGEAUFIM-LBPRGKRZSA-N	262.353	1.741	10	20	CDCD	
CN(CCCCS(C)(=O)=O)c1ccc(N)cc1	706552508	MGDANMVYYXOMNR-UHFFFAOYSA-N	256.371	1.530	10	20	CDCD	
CON(C)C(=O)CNCc1cccc(Cl)c1O	397535334	PAKJJFFFGDRRJT-UHFFFAOYSA-N	258.705	1.155	10	20	CDCD	
CN(CC(=O)N1CCOCC1)Cc1ccc(N(C)C)cc1	102675103	RFCRUQNAPLBCGT-UHFFFAOYSA-N	291.395	1.043	10	20	CDCD	
COc1cccc(CNC(=O)C[C@H]2CCCO2)c1O	171487217	PHJOBOCPMBXTBG-LLVKDONJSA-N	265.309	1.586	10	20	CDCD	
CCN1CC(=O)N[C@@H]1c1cc(Br)ccc1O	189871160	HZLYPWDKTZVOOD-NSHDSACASA-N	285.141	1.605	10	20	CDCD	
CCN1CC(=O)N[C@@H]1c1cc(Cl)cc([N+](=O)[O-])c1O	189866387	ZYVCHIMDZUINCR-NSHDSACASA-N	285.687	1.404	10	20	CDCD	
O=C(C[C@@H]1CCCCO1)NCCc1ccc(O)c(O)c1	122437480	UBNOTHSUSMRNRE-LBPRGKRZSA-N	279.336	1.716	10	20	CDCD	
CCCN(Cc1ccccc1O)[C@H](C)C(=O)NC(N)=O	157072280	HJMUKPZGTPFVSG-SNVBAGLBSA-N	279.340	1.188	10	20	CDCD	
O=C(C[C@@H]1CSCCN1)NCc1ccccc1O	228420533	KXYHIHPXADOQNV-LLVKDONJSA-N	266.366	1.104	10	20	CDCD	
COc1ccc(O)c([C@H](C)N[C@H](C(=O)O)C2CC2)c1	86758285	WXRDYZRZRCOZQH-SDBXPKJASA-N	265.309	1.915	10	20	CDCD	
C[C@H]1OCC[C@@]1(O)CNCc1cc(Cl)ccc1O	227974259	PTCWAVSJWPDFJW-NOZJJQNGSA-N	271.744	1.675	10	20	CDCD	
C[C@@H](NC(=O)C(C)(C)C)C(=O)NCCc1ccc(N)cc1	237474034	ACRYBAYXLOFKNN-LLVKDONJSA-N	291.395	1.478	10	20	CDCD	
CN(C)[C@@H]1CCCC[C@H]1NC(=O)c1cccc(O)c1O	1116852133	UBZRSNLIMRCQMA-VXGBXAGGSA-N	278.352	1.700	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)C1CCNCC1	237150424	CHIMTFJVQMHLOA-UHFFFAOYSA-N	289.379	1.478	10	20	CDCD	
Cc1noc(C)c1CC(=O)NCc1ccccc1O	299567914	OYEQBLGLDSWVRN-UHFFFAOYSA-N	260.293	1.856	10	20	CDCD	
Cc1ccc(C(=O)NC[C@H]2CCN(C)C2)c(O)c1O	267602386	PPOCOMXEMADVGT-SNVBAGLBSA-N	264.325	1.088	10	20	CDCD	
CCN(C)C(=O)CN[C@H](C)c1cc(C(=O)OC)ccc1O	274792966	OPJSQRKUMVBYDT-SNVBAGLBSA-N	294.351	1.308	10	20	CDCD	
CC(C)NS(=O)(=O)NCc1ccc(N(C)C)c(F)c1	272146879	CKSMYVQPPDYNSX-UHFFFAOYSA-N	289.376	1.224	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C1=COCCO1	274919810	LCNYDYFVBKABPW-VIFPVBQESA-N	279.292	1.033	10	20	CDCD	
Cc1cc(O)c(CN2CCOC[C@@H]2c2ncon2)cc1C	374838638	UDNIRBKGPPQDRL-CYBMUJFWSA-N	289.335	1.966	10	20	CDCD	
CO[C@@H](C)CS(=O)(=O)Nc1ccc(O)cc1C	282236083	PNNNGDCNRSFDRS-VIFPVBQESA-N	259.327	1.477	10	20	CDCD	
O=C(Cc1cccnc1)NCc1ccc(O)c(O)c1	473249663	XWJJUQFYROYLTP-UHFFFAOYSA-N	258.277	1.352	10	20	CDCD	
CC[C@H](C)N(CC(=O)OC)C(=O)c1cccc(O)c1O	297099697	ZZPBMSRAWSJMHV-VIFPVBQESA-N	281.308	1.512	10	20	CDCD	
Cc1ccc(C(=O)N[C@H](C)CCCCO)c(O)c1O	296418684	XTQSBPXXEGOQHR-SNVBAGLBSA-N	267.325	1.687	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CCCN(C=O)CC2)c1O	294310997	VUSRMYGTRKGCBC-UHFFFAOYSA-N	294.326	1.398	10	20	CDCD	
Cn1ncc2c1C[C@@H](C(=O)NCCc1ccc(N)cc1)CC2	818545306	WVYACOSBSQVFFJ-ZDUSSCGKSA-N	298.390	1.466	10	20	CDCD	
CC[C@H]1CN(C)CCN1C(=O)/C=C\c1ccc(O)c(O)c1	818977070	AALUMWVWKOQIEY-VGVVRCBHSA-N	290.363	1.664	10	20	CDCD	
COc1ccc(CNCc2cnc(N(C)C)n2C)c(O)c1	822476278	KXYQMUUPNCMHSB-UHFFFAOYSA-N	290.367	1.490	10	20	CDCD	
C[C@@H]1CNCCN1Cc1ccc(Br)cc1O	722407998	YJELMQZHIXHFKU-SECBINFHSA-N	285.185	1.948	10	20	CDCD	
COC[C@H](C)NC(=S)NCc1cc(OC)ccc1O	733907800	ZZSIVWMFXAXHCD-VIFPVBQESA-N	284.381	1.400	10	20	CDCD	
O=C(NCc1nc([C@H]2CCCO2)n[nH]1)c1cc(O)cs1	848390206	FWJONCCHTOWHMA-MRVPVSSYSA-N	294.336	1.353	10	20	CDCD	
CC[C@@H](C(=O)NCc1ccc(N(C)C)c(F)c1)[C@H](C)O	842229762	NJEVLCLJWNYVKE-CMPLNLGQSA-N	282.359	1.915	10	20	CDCD	
CCc1cccc(CN[C@@H](C)[C@@H]2CN(C)CCO2)c1O	848900266	ZOKGRALUFQSNRF-WFASDCNBSA-N	278.396	1.763	10	20	CDCD	
COC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	918671595	FHXHLJYEQYGFBT-LBPRGKRZSA-N	291.351	1.244	10	20	CDCD	
Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)cs1)CC2	846652977	XWDIAQLEUJDVJY-LURJTMIESA-N	295.389	1.780	10	20	CDCD	
CNCCNC(=O)c1csc(Cc2ccc(N)cc2)n1	841846496	JPXISIJKVWDDEQ-UHFFFAOYSA-N	290.392	1.265	10	20	CDCD	
CC(=O)c1cc(F)cc(CN[C@H]2C[C@H](O)C2(C)C)c1O	846960207	MVFOSGNPWAMLRL-STQMWFEESA-N	281.327	1.983	10	20	CDCD	
C[C@H](O)CCCN(C)c1ccc(OCC(=O)O)cc1	846279824	MTYDRKGQNRMOGH-NSHDSACASA-N	267.325	1.747	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1C[C@H]2C[C@@]2(CO)C1	840940315	XAXKSZVCIBORPY-ZBFHGGJFSA-N	260.381	1.875	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N2CCC[C@H](N)C2)cc1F	841758504	BRIFFRNHYIEHRF-LBPRGKRZSA-N	294.374	1.524	10	20	CDCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@H](C)O	840557031	YXAGCEIFFMNPQU-NEPJUHHUSA-N	264.369	1.489	10	20	CDCD	
CN1CC[C@H](C(=O)NCc2cc(Cl)ccc2O)C1=O	846474607	WJKFEBZTCOCYDB-SNVBAGLBSA-N	282.727	1.140	10	20	CDCD	
Nc1ccc(CCNC(=O)Cn2cc(C3CC3)cn2)cc1	851632630	UBNZGCHXSGCXSV-UHFFFAOYSA-N	284.363	1.702	10	20	CDCD	
CN(C)c1cc(F)c(CN2CC[C@](C)(C(N)=O)C2)cc1F	862353758	ZCATXEYDQZXKDU-HNNXBMFYSA-N	297.349	1.728	10	20	CDCD	
CO[C@@H]1CCOC[C@H]1NCc1cc(F)cc(C(C)=O)c1O	934040398	ONAYHYXFVHSCCF-ZIAGYGMSSA-N	297.326	1.627	10	20	CDCD	
CC[C@H](NC[C@H](C)S(C)(=O)=O)c1ccccc1O	697579823	OIZLBUXYXLFFQB-JQWIXIFHSA-N	271.382	1.866	10	20	CDCD	
CN1CC[C@@H](N(C)Cc2cc3c(cc2O)CCCC3)C1=O	768445751	IWAAARIILVKRDM-OAHLLOKOSA-N	288.391	1.934	10	20	CDCD	
COC(=O)[C@H](C)NC(=O)[C@H](C)N[C@H](C)c1ccccc1O	866441323	ZJJVUMCYTQRXEO-VWYCJHECSA-N	294.351	1.109	10	20	CDCD	
C[C@H]1CCN[C@H](C(=O)N[C@@H](C)c2ccccc2O)C1	877255867	JBTJXIMWSUZDSS-GVXVVHGQSA-N	262.353	1.958	10	20	CDCD	
CO[C@@H]1CCOC[C@H]1NC(=O)/C=C/c1ccc(O)c(O)c1	889189855	MGQBLJNVOJWHMC-UOLJMSNASA-N	293.319	1.031	10	20	CDCD	
C[C@@H](NC[C@@]1(O)CCOC1)c1c(O)cccc1F	886556976	OFRSFNVNTMVQRI-RNCFNFMXSA-N	255.289	1.333	10	20	CDCD	
CN(Cc1cnn(C)c1)C(=O)c1c(F)ccc(O)c1O	789953220	PLHYCBSIJAKGQK-UHFFFAOYSA-N	279.271	1.243	10	20	CDCD	
CN(C)c1ccc(CN(C)c2cc(C(N)=O)ncn2)cc1	881772167	CYUZOXMOUOJRRP-UHFFFAOYSA-N	285.351	1.278	10	20	CDCD	
COC(=O)c1cc(O)ccc1NS(=O)(=O)c1ccco1	783533410	YWCMKARMWCFNCP-UHFFFAOYSA-N	297.288	1.573	10	20	CDCD	
COc1cc(C)cc(CNC[C@H](O)CN2CCCC2)c1O	894200147	KBQKKUGCHBCLAE-AWEZNQCLSA-N	294.395	1.256	10	20	CDCD	
COc1cc(C)cc(CN[C@@H]2C(=O)NCC2(C)C)c1O	895325591	SWKDKVHICZPYGO-CYBMUJFWSA-N	278.352	1.323	10	20	CDCD	
O=C(OC[C@@H]1CCC[C@H](O)C1)c1cccc(O)c1O	795535030	NCXRBWVKOQFQES-ZJUUUORDSA-N	266.293	1.806	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)CCn1cncn1	68087487	OHMRPJGCCLHFGD-UHFFFAOYSA-N	260.297	1.032	10	20	CDCD	
CN(C)c1cc(F)c(CN[C@H]2C[C@@H](C(=O)O)C2)cc1F	1331995655	MQBNYMGEIYIFNN-WAAGHKOSSA-N	284.306	1.984	10	20	CDCD	
CN(C)C(=O)[C@@H]1CCCN(C(=O)c2cccc(O)c2O)C1	1348254383	ILWCJASOJPHICV-SNVBAGLBSA-N	292.335	1.038	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@@]2(F)CCOC2)c1	1346447060	MKIIXHUWQRLKRE-YMTOWFKASA-N	283.299	1.707	10	20	CDCD	
CO[C@@](C)(C(=O)NCc1cccc(O)c1O)C1CC1	1348048444	TUEKYRHQRZJDIO-CQSZACIVSA-N	265.309	1.529	10	20	CDCD	
Cc1ccc(C)n1-c1ccc(C(=O)N2CC(C(N)=O)C2)cc1	1520395316	JFIIWRPFAQCTSG-UHFFFAOYSA-N	297.358	1.651	10	20	CDCD	
NC(=O)N=Nc1ccc(C(=O)NOCCCC(=O)O)cc1	1608238051	KEVHIIZKIWJVKF-UHFFFAOYSA-N	294.267	1.375	10	20	CDCD	
O=C(O)C[C@@]1(NCc2cc(F)c(F)cc2O)CCOC1	1608688126	ZEXJEEJMGWAWIY-ZDUSSCGKSA-N	287.262	1.394	10	20	CDCD	
CCNC(=O)[C@H](C)N[C@H](C)c1cc(C(=O)O)ccc1O	1610006965	DCTBMLNBEXEFHP-BDAKNGLRSA-N	280.324	1.266	10	20	CDCD	
CCc1nocc1CNCc1ccc(C(=O)O)cc1O	1776994271	MOJNNIIEJSJZTA-UHFFFAOYSA-N	276.292	1.931	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)Cc1cnnn1C	156837328	YXJITZUOWZGPDC-UHFFFAOYSA-N	273.384	1.903	10	20	CDCD	
O=C1NCCC[C@@H]1CNCc1ccc2c(c1)CCO2	839196363	VAAOPQZOQFAZBL-CYBMUJFWSA-N	260.337	1.237	10	20	CDCD	
CN1CCC(CN(C)C(=O)c2cccc(O)c2O)CC1	126405520	JOFPVRMMRGXYAD-UHFFFAOYSA-N	278.352	1.512	10	20	CDCD	
O=C(NC[C@@H]1CCC[C@H](O)C1)c1cccc(O)c1O	187124194	YANBWGITWTXVMJ-ZJUUUORDSA-N	265.309	1.379	10	20	CDCD	
CN1CCC[C@@H](NC(=O)Nc2ccc(N)cc2)C1=O	704372953	QKUBQXXEEGSZJI-LLVKDONJSA-N	262.313	1.011	10	20	CDCD	
CCCN(CC(N)=O)Cc1cc(F)cc(C(C)=O)c1O	383309854	SCMZATSDFDUZQA-UHFFFAOYSA-N	282.315	1.431	10	20	CDCD	
NC(=O)[C@@H]1CN(Cc2c(O)ccc3ccccc23)CCO1	50926859	OPQGRMDCCIDUGH-HNNXBMFYSA-N	286.331	1.232	10	20	CDCD	
COc1cccc(CN2CC[C@](C)(CN)C2)c1O	310989446	HKNBVBFOEXZBSV-CQSZACIVSA-N	250.342	1.572	10	20	CDCD	
CC(C)(CCC(=O)O)NC(=O)c1cccc(O)c1O	126014378	VKWOWMCPVBXPLZ-UHFFFAOYSA-N	267.281	1.471	10	20	CDCD	
COc1ccc(O)c(CN2C[C@@H](C(=O)O)[C@@H](C)C2)c1	227818154	VJVVJTUDGVQYRJ-JOYOIKCWSA-N	265.309	1.553	10	20	CDCD	
CO[C@H](C)C(=O)NCc1ccc(N2CCCC2)cc1	49114635	HWVXWASARMDGHQ-GFCCVEGCSA-N	262.353	1.938	10	20	CDCD	
Nc1ccc(CC(=O)N2CCO[C@H]([C@@H]3CCCO3)C2)cc1	237894594	VINIHMHXAYLYRW-GJZGRUSLSA-N	290.363	1.218	10	20	CDCD	
COC[C@H](NCc1cc(C)ccc1O)[C@H]1CCCO1	278699455	QQRUZCDWOGJOGQ-DZGCQCFKSA-N	265.353	1.984	10	20	CDCD	
CC(=O)C(=O)COc1ccc(C(C)=O)cc1[N+](=O)[O-]	289788017	XMZNHAFXCJMUII-UHFFFAOYSA-N	265.221	1.334	10	20	CDCD	
Cc1ncc2n1CC[C@H](C(=O)NCc1ccccc1O)C2	290601810	PEDFRSWQYRDSGR-LBPRGKRZSA-N	285.347	1.776	10	20	CDCD	
Cc1ccc(O)c(CN[C@@H]2CCc3nnnn3CC2)c1	817418632	ACARHVMVBBZFNS-GFCCVEGCSA-N	273.340	1.182	10	20	CDCD	
CN(C)c1ccc(CN2C[C@@H](CO)OC(C)(C)C2)cc1F	817412863	PTBNFUSBLWOFPB-ZDUSSCGKSA-N	296.386	1.863	10	20	CDCD	
O=C1CC[C@H]2CN(Cc3cc(Cl)c(F)cc3O)CCN12	816499584	VBZWLTGDUKCJDB-JTQLQIEISA-N	298.745	1.991	10	20	CDCD	
C[C@H](C[C@H]1COCCN1)NCc1ccc(N(C)C)c(F)c1	817898886	CCZYDYZHKDEHNO-OCCSQVGLSA-N	295.402	1.748	10	20	CDCD	
O=C(O)CN(C(=O)/C=C/c1cncc(O)c1)c1ccccc1	821524708	PPCLGLGISKNTQN-VOTSOKGWSA-N	298.298	1.918	10	20	CDCD	
COc1cccc(CNC(=O)N[C@@H]2CO[C@H](C)C2)c1O	828427669	POXMBCTYKWZPDM-KOLCDFICSA-N	280.324	1.377	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@H](C)[C@@H](C)N	829764651	RNTVVCHOALQBHN-VXGBXAGGSA-N	263.385	1.661	10	20	CDCD	
Cc1cc(CN2CC[C@](O)(C(=O)O)C2)ccc1N(C)C	903624011	VSWIMZJTZWCRBK-OAHLLOKOSA-N	278.352	1.082	10	20	CDCD	
CC(C)(CN)C(=O)NCc1c(O)ccc2c1CCCC2	830597980	XTNYYKXIMXUKLU-UHFFFAOYSA-N	276.380	1.872	10	20	CDCD	
CSC[C@H](C)C(=O)N(CC(=O)O)Cc1ccccc1O	911484613	DOCRPCHJNIGZDL-JTQLQIEISA-N	297.376	1.805	10	20	CDCD	
COC[C@H](OC)C(=O)N[C@H](C)c1cc(OC)ccc1O	830540809	NQMLZMWPBIZIMZ-RNCFNFMXSA-N	283.324	1.239	10	20	CDCD	
Nc1ccc(CCNC(=O)NC[C@@H]2CCC[C@H](O)C2)cc1	841955103	UTXJXPOXJUWRKC-HIFRSBDPSA-N	291.395	1.662	10	20	CDCD	
Nc1ccc(NC(=O)C(=O)N2CC[C@@H]3CCCC[C@@H]32)cc1	843049917	YOLNNHZXWFKPGS-FZMZJTMJSA-N	287.363	1.998	10	20	CDCD	
C[C@@H](N)CNC(=O)NCc1ccc(N2CC=CC2)cc1	841831778	FBNQAUFGUHCQIT-GFCCVEGCSA-N	274.368	1.209	10	20	CDCD	
CN(CCNC(=O)Nc1ccc(N)cc1)CC(F)(F)F	841299336	AHXMDFVCIXOUFQ-UHFFFAOYSA-N	290.289	1.884	10	20	CDCD	
C[C@H](CC(=O)NCc1ccc(O)cc1O)n1ccnc1	910943877	PNPPTZYXGKDIPA-SNVBAGLBSA-N	275.308	1.562	10	20	CDCD	
CN(CCCN)Cc1cc(Cl)cc([N+](=O)[O-])c1O	843050200	BKQZLXGMQPMTFU-UHFFFAOYSA-N	273.720	1.734	10	20	CDCD	
C[C@H]1NCCN(Cc2cc3c(cc2O)OCO3)[C@@H]1C	843057222	GUZRMRRTWRPJAA-NXEZZACHSA-N	264.325	1.303	10	20	CDCD	
CCOc1ccc(CN2CCN[C@H](C)[C@H]2C)c(O)c1	843057009	FBWDFFKWYPWUIZ-VXGBXAGGSA-N	264.369	1.973	10	20	CDCD	
CCC[C@@H](O)[C@@H](CO)NCc1ccc(N(C)C)c(F)c1	842227178	RSLGWBPRTIPZRR-UKRRQHHQSA-N	284.375	1.503	10	20	CDCD	
COC(=O)C[C@H](C)C(=O)NCc1cc(Cl)ccc1O	846477887	WPKZYLMGWQDXNU-QMMMGPOBSA-N	285.727	1.861	10	20	CDCD	
Cc1ccc(C(=O)N2C[C@@H]3[C@H](C2)C3(F)F)c(O)c1O	846603239	KQNOROMQTROERI-DTORHVGOSA-N	269.247	1.743	10	20	CDCD	
COc1ccc(N(C)CCN(C)CCc2cnn[nH]2)cc1	852212053	SMWLCZDASLGKQX-UHFFFAOYSA-N	289.383	1.424	10	20	CDCD	
CNC[C@@H](C)N[C@H](C)c1ccc(N2CCOCC2)c(F)c1	854233317	XUPYUBJTCYNWPE-CHWSQXEVSA-N	295.402	1.921	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NC[C@H](CO)CC1CC1	855916231	MAHNVMYIPWVYMB-DIECRNLCSA-N	291.347	1.636	10	20	CDCD	
C[C@@H]1C[C@@H](NC(=O)c2cc(O)cs2)CN1C1CC1	754025046	NSXFHHDXFVVJHM-RKDXNWHRSA-N	266.366	1.809	10	20	CDCD	
CCOc1ccc(CN(C)[C@@H]2CCN(C)C2=O)c(O)c1	769463730	PKQUGGMFUKDWJN-CYBMUJFWSA-N	278.352	1.453	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)CCc2ncccn2)c1	862755779	KQGQRRANWWSOAZ-UHFFFAOYSA-N	271.320	1.740	10	20	CDCD	
COc1cccc(CNC(=O)c2cnn3ncccc23)c1O	765422980	KXFSKYZZUIPZEZ-UHFFFAOYSA-N	298.302	1.374	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CCc2cn[nH]c2)cc1F	863862541	XVUOXJBFEMYKOV-UHFFFAOYSA-N	290.342	1.864	10	20	CDCD	
CC1=CCN(Cc2cc3c(cc2O)OC[C@@H]3O)CC1	768465909	SHZBPHVZZFOJKD-AWEZNQCLSA-N	261.321	1.970	10	20	CDCD	
CCO[C@@H]1C[C@H](NCc2c(C)cccc2O)[C@@H]1OC	877352251	WRKSJOUPNHCOLK-CFVMTHIKSA-N	265.353	1.983	10	20	CDCD	
OC[C@@H](CCF)NCc1ccc(N2CCC(O)CC2)cc1	877614837	NJJWYBDXEVNIDN-CQSZACIVSA-N	296.386	1.458	10	20	CDCD	
COc1cc(C)cc(CNCC2(O)CCN(C)CC2)c1O	894306145	XNDSBKZUXKYEFH-UHFFFAOYSA-N	294.395	1.256	10	20	CDCD	
C[C@@H]1CN(Cc2ccc(N3CCC(O)CC3)cc2)C[C@@H]1O	897681278	ZXQWNNGKNCBOKK-DYVFJYSZSA-N	290.407	1.460	10	20	CDCD	
CCOC(=O)CCC(=O)COC(=O)c1cc(O)cs1	791381726	JMOXUEUMZMMNCY-UHFFFAOYSA-N	286.305	1.523	10	20	CDCD	
C[C@]1(O)CCCN(Cc2cc3c(cc2O)OC[C@H]3O)CC1	794672469	LAHJRNSLYOHTBY-ZBFHGGJFSA-N	293.363	1.555	10	20	CDCD	
COC[C@H](O)CNCc1ccc(Br)cc1O	691462295	MKSZPBGQBWIXQR-SNVBAGLBSA-N	290.157	1.252	10	20	CDCD	
COc1cccc(O)c1CN1CCC[C@@](C)(CO)C1	1319706771	CQHRNWLTZKEZGK-OAHLLOKOSA-N	265.353	1.995	10	20	CDCD	
C[C@H](NCc1cc(F)c(N(C)C)cc1F)C(=O)O	1329310383	LGIHJPKMURUICD-ZETCQYMHSA-N	258.268	1.594	10	20	CDCD	
C[C@H]1CN(C(=O)NCc2ccc(N)cc2)CC(C)(C)O1	1335730645	NPBANZAPLVRYJY-NSHDSACASA-N	277.368	1.978	10	20	CDCD	
C[C@H](CC(=O)O)NCc1cc2c(cc1O)OCO2	1603133238	LOLPHARNTUETTO-SSDOTTSWSA-N	253.254	1.074	10	20	CDCD	
Nc1ccc(CCNC(=O)c2cc(F)ccc2N)cc1	1580443404	CHYFTSNVGRMZDU-UHFFFAOYSA-N	273.311	1.963	10	20	CDCD	
CCCC[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)O	1595634270	CKCKNXLYWOFNIX-LXSSAFMLSA-N	293.319	1.871	10	20	CDCD	
C[C@@H]1CN(C(=O)c2c(F)ccc(O)c2O)C[C@H]1C(=O)O	1599861838	BDLRAXXUCDGICU-RNFRBKRXSA-N	283.255	1.030	10	20	CDCD	
COc1cc(Cl)cc(CN[C@@H](C)C[S@](C)=O)c1O	169096477	NWAHGJXHOZKCBH-DCXZOGHSSA-N	291.800	1.911	10	20	CDCD	
Cn1ncc(Cl)c1/C=C1/SC(S)=NC1=O	2573460	AQWWBIORVXZUBB-QHHAFSJGSA-N	259.743	1.974	10	20	CDCD	
CCOc1ccc(O)c(CN2CCN(CC)CC2)c1	157433507	OVHLPFWOSAXDPA-UHFFFAOYSA-N	264.369	1.928	10	20	CDCD	
CCOc1cccc(CNC[C@H]2CCCNC2=O)c1O	839196919	YKQTXKGGDCJQML-GFCCVEGCSA-N	278.352	1.407	10	20	CDCD	
C[C@@H]1C[C@H](C(=O)O)CCN1C(=O)c1cccc(O)c1O	235346425	KRRPJHZGEWLXHM-RKDXNWHRSA-N	279.292	1.423	10	20	CDCD	
CNC(=O)C[C@@H](C)NCc1ccc(N2CCCC2)cc1	298384887	DRXFAPHETLFYMX-CYBMUJFWSA-N	275.396	1.901	10	20	CDCD	
NCc1ccc2c(c1)CCCN2CCN1CCOCC1	62801581	KSKRWGQWOAHJPD-UHFFFAOYSA-N	275.396	1.230	10	20	CDCD	
CN1CC[C@H](N(C)Cc2cc(Cl)ccc2O)C1=O	690258130	IZJAFWPIFBJEDA-NSHDSACASA-N	268.744	1.708	10	20	CDCD	
COC(=O)NC(C)(C)C(=O)NCc1ccc(N(C)C)cc1	103737954	MLDFTOMXWDCAEL-UHFFFAOYSA-N	293.367	1.503	10	20	CDCD	
O=C(NC1(C(=O)O)CCCC1)c1cccc(O)c1O	125994633	WYLSDOADRAXKAJ-UHFFFAOYSA-N	265.265	1.225	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NCC2(CO)CC2)cc1	304517373	WELCRQXCGQDBDG-UHFFFAOYSA-N	277.368	1.324	10	20	CDCD	
COCCN(CC(=O)OC)Cc1cccc(C)c1O	180253882	MVGFJRNHYIREKF-UHFFFAOYSA-N	267.325	1.322	10	20	CDCD	
COc1ccc(N(C)CC(=O)NC2CC2)cc1F	121817446	CGGZLENMFKNQHL-UHFFFAOYSA-N	252.289	1.549	10	20	CDCD	
CCCOc1ccc(CN2C[C@@H](O)C[C@H]2CO)c(O)c1	187669688	QZXVYEMVEGGIMH-STQMWFEESA-N	281.352	1.109	10	20	CDCD	
COC(=O)[C@H]1CN(Cc2cccc(C)c2O)C[C@@H](C)O1	180730775	AABBPRNXKVRMTP-DGCLKSJQSA-N	279.336	1.463	10	20	CDCD	
Cn1ncc2c1CCC[C@@H]2NC(=O)Cc1ccc(N)cc1	37043088	FJQREPDXBLNIOC-AWEZNQCLSA-N	284.363	1.739	10	20	CDCD	
CCOC(=O)N1CCN(C(=O)Nc2ccc(N)cc2)CC1	217313684	IGJSLTYVEXZWPL-UHFFFAOYSA-N	292.339	1.575	10	20	CDCD	
O=C(NCc1ccccc1O)[C@H]1COc2ccccc2O1	133779180	WWDQTDKCHSJCDP-OAHLLOKOSA-N	285.299	1.848	10	20	CDCD	
C[C@H](O)[C@@H]1CCCN(Cc2cc3c(cc2O)OCO3)C1	136827588	BSBHCBFVARJZNG-WDEREUQCSA-N	279.336	1.714	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CC[C@H](O)C1	346379339	LPKLBHBXPOVYHU-YPMHNXCESA-N	290.363	1.639	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)C1(N)Cc2ccccc2C1	364245099	HGXFAUDIOBHPOI-UHFFFAOYSA-N	296.370	1.847	10	20	CDCD	
C[C@@H](CF)NC(=O)NCc1ccc(N(C)C)cc1	289137115	TZGWIRCDOBYIEP-JTQLQIEISA-N	253.321	1.910	10	20	CDCD	
COc1ccc(N(C)C[C@H](O)CN(C)C2CC2)cc1OC	809936760	OTGGLJRAGKJUAJ-CQSZACIVSA-N	294.395	1.595	10	20	CDCD	
CC[C@@H](CNC(=O)c1c(F)ccc(O)c1O)OC	296007649	LBUFRLNLLZVMDY-ZETCQYMHSA-N	257.261	1.392	10	20	CDCD	
CC(=O)C(=O)COC(=O)COc1cccc(C)c1	808486730	IIKVEUBBWWNFGZ-UHFFFAOYSA-N	250.250	1.075	10	20	CDCD	
CCOC(=O)CN(Cc1ccccc1O)C(C)=O	819694439	INTYYSRFYCKREB-UHFFFAOYSA-N	251.282	1.304	10	20	CDCD	
C[C@H](NC[C@@H](N)c1ccc(N(C)C)cc1)c1ccnn1C	817944257	YNQMTKDYVOHDKG-SWLSCSKDSA-N	287.411	1.837	10	20	CDCD	
CN1CCCc2cc(CNC(=O)Cc3ncc[nH]3)ccc21	816910369	DMSDQLQNCXDPSE-UHFFFAOYSA-N	284.363	1.651	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(C=O)c[nH]1	816028326	CQZAROGEFAMOAH-VIFPVBQESA-N	288.303	1.599	10	20	CDCD	
O=C(NCc1ccccc1O)c1ccc(-n2ccnc2)nn1	725895307	DBUCSVASLRHRQP-UHFFFAOYSA-N	295.302	1.298	10	20	CDCD	
CNC(=O)CN(C)Cc1cc(Cl)cc(F)c1O	827862806	QMDQDRWJCIFZPA-UHFFFAOYSA-N	260.696	1.363	10	20	CDCD	
CNC(=O)C1CN(Cc2ccc(Br)cc2O)C1	826112732	ARJVZGVYZYRKSS-UHFFFAOYSA-N	299.168	1.333	10	20	CDCD	
CN1C(=O)CCC[C@@H]1C(=O)NCc1ccccc1O	907056584	OJKUEXHAROECRO-LLVKDONJSA-N	262.309	1.019	10	20	CDCD	
COC(=O)CC(=O)NCc1ccc(N2CCCCC2)cc1	906432513	FDBSFUVTLALUCJ-UHFFFAOYSA-N	290.363	1.856	10	20	CDCD	
C[C@@H](NC[C@H](c1ccc(N(C)C)cc1)N(C)C)C(=O)O	904273070	PZHXQWMGBZGKCO-BXUZGUMPSA-N	279.384	1.418	10	20	CDCD	
O=C(NC[C@@H](O)CN1CCCCC1)c1cc(O)cs1	830588090	GQVAZRTWRZGMAS-LLVKDONJSA-N	284.381	1.030	10	20	CDCD	
COc1ccc(N2CCN(C[C@H](C)N)CC2)cc1F	844221548	PXKPTQSUCDILHS-NSHDSACASA-N	267.348	1.304	10	20	CDCD	
C[C@H](NCC(=O)N1CCOCC1)c1ccc(Cl)cc1O	841751420	MVQQSJWOWVZOHB-JTQLQIEISA-N	298.770	1.555	10	20	CDCD	
CC[C@@H](NC[C@H]1CNC(=O)C1)c1ccc(N(C)C)cc1	840833162	LPTOZEOQWXCXIE-SWLSCSKDSA-N	275.396	1.929	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2CC[C@@H]([C@@H](C)N)C2)c1O	843057109	BEYFKKPAIHRKSQ-NXEZZACHSA-N	295.339	1.478	10	20	CDCD	
CCc1cccc(CN2C[C@H](CO)OC[C@@H]2C)c1O	848890192	PUTWGJWVKSJTCI-SMDDNHRTSA-N	265.353	1.536	10	20	CDCD	
CCC[C@](C)(O)CNC(=O)NCCc1ccc(N)cc1	841954345	LEVSFCKPQFZJGH-HNNXBMFYSA-N	279.384	1.662	10	20	CDCD	
C[C@@H]1CCN(C(=O)NCCc2ccc(N)cc2)C[C@@H]1CN	841956132	WFSOBLHSAMTRDU-OCCSQVGLSA-N	290.411	1.438	10	20	CDCD	
C[C@@H](O)C1(NC(=O)/C=C/c2ccc(O)c(O)c2)CC1	856129056	PPWDUSIQGZDAJP-HYYFJVDXSA-N	263.293	1.141	10	20	CDCD	
CCn1nncc1CN[C@H](C)c1cccc(OC)c1O	858440629	ZQOXAPWJTDTSQI-SNVBAGLBSA-N	276.340	1.863	10	20	CDCD	
COc1ccc(O)c(CNC(=O)NCc2c[nH]nc2C)c1	768229367	SQEPIYZTIBRCOD-UHFFFAOYSA-N	290.323	1.432	10	20	CDCD	
CCNC(=O)CCC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	773760638	JRTCFUOVTIOMBI-JTQLQIEISA-N	294.351	1.061	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNC[C@]2(C)CCOC2)c1O	775016855	ZPDHHSVOCVVKBI-AWEZNQCLSA-N	296.323	1.825	10	20	CDCD	
COc1ccc(N2CCN([C@H](C)C(=O)O)CC2)c(OC)c1	873645544	YXRGPHZSAVPWNT-LLVKDONJSA-N	294.351	1.299	10	20	CDCD	
COc1ccc(CNCc2cnc(C)o2)c(O)c1OC	1120057556	LKLLDCNFEFNAAH-UHFFFAOYSA-N	278.308	1.996	10	20	CDCD	
C[C@H](N[C@H]1CC(=O)N(C)C1)c1c(O)cccc1F	886521383	ZRPZVLOHPYWCSP-IUCAKERBSA-N	252.289	1.413	10	20	CDCD	
CC(C)[C@](C)(O)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	773741217	HXCJTOLPWMXYDJ-BMIGLBTASA-N	281.352	1.552	10	20	CDCD	
CCOCC(=O)NCc1ccc(N2CCN(C)CC2)cc1	881848847	BPNCCVRXBVAMJP-UHFFFAOYSA-N	291.395	1.091	10	20	CDCD	
COCC(C)(C)NCc1ccc([N+](=O)[O-])c(OC)c1O	775002531	HKWOCFFUKPIVKT-UHFFFAOYSA-N	284.312	1.824	10	20	CDCD	
CC[C@H](CCO)CNCc1cccc(OC)c1O	94949345	YHOQPMUPQYNYFR-LLVKDONJSA-N	253.342	1.899	10	20	CDCD	
CCN(C)c1ccc(Cn2cc(COCCO)nn2)cc1	881316921	YAYYIHAHSNEPGK-UHFFFAOYSA-N	290.367	1.291	10	20	CDCD	
NC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)c1cc(O)cs1	788014856	ZJCSPEUSVBCIML-HDBBIHSSSA-N	280.349	1.180	10	20	CDCD	
Cc1ccc(CNC[C@H]2CCS(=O)(=O)C2)c(O)c1	83514557	XJEXZIKALTVOIE-LLVKDONJSA-N	269.366	1.225	10	20	CDCD	
Cc1ccc(C(=O)OCCC2OCCO2)c(O)c1O	781174971	HDNTYYWMCOHQPT-UHFFFAOYSA-N	268.265	1.326	10	20	CDCD	
COC(=O)N(C)CCNCc1cc(C)cc(OC)c1O	895280549	WAIMBBVWTXLJBG-UHFFFAOYSA-N	282.340	1.497	10	20	CDCD	
C[C@H](NCCc1cncn1C)c1cc([N+](=O)[O-])ccc1O	788258996	ZNAPQEZSFSKWJO-JTQLQIEISA-N	290.323	1.927	10	20	CDCD	
OCCN(Cc1cc(F)cc(F)c1O)CC1CC1	893976281	QGOIBDYRAOOKDK-UHFFFAOYSA-N	257.280	1.875	10	20	CDCD	
COC(=O)[C@H](C)CN(C)C(=O)c1c(F)ccc(O)c1O	790069783	UEUZDGPJPHQUNJ-SSDOTTSWSA-N	285.271	1.118	10	20	CDCD	
COc1cccc(O)c1CN1CCO[C@@]2(CCO[C@H]2C)C1	793229683	BSEGDKCSHJQJRO-LRDDRELGSA-N	293.363	1.781	10	20	CDCD	
C[C@@H](C(=O)N(C)Cc1ccccc1O)n1cncn1	80133657	OYMVSXYHBCVUJJ-JTQLQIEISA-N	260.297	1.203	10	20	CDCD	
CN(C(=O)Cc1ccc(O)c(O)c1)C(C)(C)CC(=O)O	1605965950	RMWXQWMYEYCUIJ-UHFFFAOYSA-N	281.308	1.352	10	20	CDCD	
CCOC(=O)CN(Cc1ccccc1O)C[C@@H](O)C(C)C	1327865402	RAIXGZMALZTNOB-OAHLLOKOSA-N	295.379	1.774	10	20	CDCD	
CC1(NC(=O)NCc2ccc(N3CC=CC3)cc2)COC1	1331332544	KQKNGITVKLNLAW-UHFFFAOYSA-N	287.363	1.651	10	20	CDCD	
Cc1ccc(CNCc2nnc3n2CCOC3)c(O)c1	1333370794	MLPUSPJITSXHPQ-UHFFFAOYSA-N	274.324	1.112	10	20	CDCD	
C[C@H]1C[C@H](NC(=O)NCc2ccc(N)cc2)CN1C1CC1	1336844389	GMMVKARBXUKRGN-FZMZJTMJSA-N	288.395	1.693	10	20	CDCD	
CN(Cc1ccccc1O)c1nnnn1CC1CC1	1334478990	PAENTSDIKUGPKR-UHFFFAOYSA-N	259.313	1.425	10	20	CDCD	
Cc1ccc(C(=O)OCC(=O)C(C)(C)C(=O)O)c(O)c1O	1600364024	OXZMGIHFLRQVHM-UHFFFAOYSA-N	296.275	1.243	10	20	CDCD	
O=C(O)C[C@@]1(NCc2ccc3c(c2)CCCO3)CCOC1	1608688726	SLAZNRXUKLRZBY-INIZCTEOSA-N	291.347	1.735	10	20	CDCD	
C[C@H]1OCC[C@@]1(O)CNCc1ccc(N(C)C)cc1	227975292	XQWFJZXDJQXBPW-IUODEOHRSA-N	264.369	1.382	10	20	CDCD	
Cc1ccc([C@H](C)NCCOCC(=O)O)c(O)c1C	1594349495	JPMFYZGHWWZRDG-NSHDSACASA-N	267.325	1.761	10	20	CDCD	
CCc1cccc(CN2CCO[C@@H](C(=O)O)C2)c1O	1593642545	SWYVUBYFGMWUEZ-GFCCVEGCSA-N	265.309	1.240	10	20	CDCD	
O=C(NCc1ccccc1O)Nc1cc(C(=O)O)ccn1	1594776665	NMPCACUJPUMQAI-UHFFFAOYSA-N	287.275	1.807	10	20	CDCD	
CC[C@@H](NCc1ccc(N2CC[C@H](O)C2)cc1)C(=O)O	1776721900	WBDSJNLWXOXZGZ-UONOGXRCSA-N	278.352	1.210	10	20	CDCD	
NC[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2O)CCO1	164668440	HUCUIVQPUZWVCW-SNVBAGLBSA-N	291.178	1.859	10	20	CDCD	
CN(C)C(=O)[C@H]1CCN(Cc2cc(Cl)ccc2O)C1	840957893	LVJVVCZFKNASHT-JTQLQIEISA-N	282.771	1.956	10	20	CDCD	
CN(C)c1ccc(CN2CCSC[C@H]2C(=O)O)cc1	840998982	IXVMIHBCOFRSNF-ZDUSSCGKSA-N	280.393	1.755	10	20	CDCD	
C[C@H]1CN(C)CC[C@H]1N(C)C(=O)Cc1ccc(N)cc1	830360741	SOKULXIXVZUVLA-SWLSCSKDSA-N	275.396	1.610	10	20	CDCD	
C[C@H]1COCCN(C(=O)c2cccc(O)c2O)C1	365757966	LMEIPXCRLMZKGO-SECBINFHSA-N	251.282	1.206	10	20	CDCD	
OC[C@@]1(NCc2ccc(N3CCCC3)cc2)CCOC1	393893325	YVUFJXFUINHWLQ-INIZCTEOSA-N	276.380	1.528	10	20	CDCD	
NC(=O)C1(CNCc2c(O)cccc2Cl)CCOCC1	119487381	VOTLGZHBFATILD-UHFFFAOYSA-N	298.770	1.417	10	20	CDCD	
Cc1cc(C)cc(-n2c(C)cc(C(=O)NCC(N)=O)c2C)c1	175900938	SUDDGAZAEJLEGK-UHFFFAOYSA-N	299.374	1.926	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)c1ccc2[nH]nnc2c1	122695101	YXHUBGQXCKVILB-UHFFFAOYSA-N	298.302	1.342	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](C)NC(N)=O	68014771	FEGKQNDMYFYXIJ-NSHDSACASA-N	292.383	1.158	10	20	CDCD	
CCC[C@](C)(NC(=O)c1cccc(O)c1O)C(=O)O	125998763	YNYGXSWCNBMVMH-ZDUSSCGKSA-N	267.281	1.471	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N[C@H]2CCCC[C@@H]2O)cc1	187160704	ADGNPYMXTPLNGG-GJZGRUSLSA-N	291.395	1.855	10	20	CDCD	
COc1cccc(CN(C)C2(CN)CCC2)c1O	385333325	QLOIIAYZGMAMMI-UHFFFAOYSA-N	250.342	1.714	10	20	CDCD	
CCCOc1ccc(CN[C@H](C(=O)OC)[C@H](C)O)c(O)c1	276510758	TWHKIVLEMFHNMU-HZMBPMFUSA-N	297.351	1.193	10	20	CDCD	
C[C@@H](NC[C@@H](O)c1cnn(C)c1)c1ccc(F)c(F)c1O	276966058	SRQOKLUIPXGMJJ-PRHODGIISA-N	297.305	1.788	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)NC[C@H](C)CO)c1	273441225	YJKUEGZEVPUGLN-UWVGGRQHSA-N	267.325	1.458	10	20	CDCD	
CN(C)c1ccc(CN(CCO)C2CCOCC2)cc1F	275859743	IWPVZWGUHGWYFM-UHFFFAOYSA-N	296.386	1.865	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)CCc1cncn1C	276664473	YNBDWNDZZNHBNR-UHFFFAOYSA-N	273.336	1.717	10	20	CDCD	
C[C@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1O)C(=O)N(C)C	276898501	MZMMILWXDGWOOZ-BDAKNGLRSA-N	281.312	1.428	10	20	CDCD	
CC[C@@](C)(CCO)NCc1ccc([N+](=O)[O-])c(OC)c1O	278480313	JHMIDJVUXJPFEA-AWEZNQCLSA-N	298.339	1.950	10	20	CDCD	
CNS(=O)(=O)NCc1ccc(N2CCC(C)CC2)cc1	285175423	MOUVXZWVBIELIA-UHFFFAOYSA-N	297.424	1.477	10	20	CDCD	
COCCCONC(=O)N(C)Cc1ccccc1O	288077571	RNVCFYGDHAPVKN-UHFFFAOYSA-N	268.313	1.502	10	20	CDCD	
COC(=O)C[C@@H](C)CC(=O)NCc1cccc(OC)c1O	289721722	OLLZPJQHXLOGRD-JTQLQIEISA-N	295.335	1.606	10	20	CDCD	
CC(C)ONC(=O)/C=C/c1ccc(N2CCOCC2)cc1	297234081	OVWRLBAKJUBMBD-VMPITWQZSA-N	290.363	1.993	10	20	CDCD	
CC[S@](=O)CC(=O)NCc1c(O)ccc2c1CCCC2	294836456	FJIYNSBVCPVCCF-FQEVSTJZSA-N	295.404	1.656	10	20	CDCD	
COC[C@H](C)OC[C@H](O)CNCc1ccc2c(c1)CCO2	818997173	UANZQBZAUQBLKO-SWLSCSKDSA-N	295.379	1.124	10	20	CDCD	
Cn1cc(C(=O)NCc2ccc(O)c(O)c2)c(C2CC2)n1	813490264	IBWKJJUKKZVJKR-UHFFFAOYSA-N	287.319	1.639	10	20	CDCD	
CN(C)c1ccc([C@H](N)CN[C@H]2CCC[C@H]2CN)cc1	817943873	WHGBJQTVGIXMQE-IMJJTQAJSA-N	276.428	1.469	10	20	CDCD	
CCOc1ccc(CN[C@H]2CC(=O)N(C)C2)c(O)c1	726797827	ZDFAIQWXQPWJPG-NSHDSACASA-N	264.325	1.111	10	20	CDCD	
CC(F)(F)CN1C(=O)CN(Cc2ccccc2O)C1=O	819168963	DWCXDWDZKKFDBJ-UHFFFAOYSA-N	284.262	1.812	10	20	CDCD	
COC(=O)c1cnc(SCc2cn(C)nn2)s1	829681377	VQILLMSIOUVYEK-UHFFFAOYSA-N	270.339	1.351	10	20	CDCD	
CO[C@@]1(CN(C)c2ccc(OCC(=O)O)cc2)CCOC1	902020089	ZGFBISRFAHXVGV-OAHLLOKOSA-N	295.335	1.392	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCN(c2ccncc2)CC1	732258839	YFCDXZMPBPMIDO-UHFFFAOYSA-N	289.360	1.811	10	20	CDCD	
CNC(=O)[C@@H]1CCC[C@H]1N[C@H]1CCc2cccc(O)c21	834697986	SNWLPWCCYAABQT-UPJWGTAASA-N	274.364	1.884	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)NC[C@H](O)C1CCC1	837113860	JQGINNKWVSTKQF-VSKVDJIOSA-N	277.320	1.388	10	20	CDCD	
CN(C)c1ccc([C@@H](N)CNC(=O)c2cnns2)cc1	832272006	BRYPZCXMXIHCJC-NSHDSACASA-N	291.380	1.034	10	20	CDCD	
COc1ccc2c(c1)N(C(=O)/C=C\c1cnn(C)c1)CCO2	742840072	HJFMGLKUXUUXTJ-UTCJRWHESA-N	299.330	1.868	10	20	CDCD	
CN(C(=O)C(=O)Nc1ccc(N)cc1)C1CCCCC1	841010893	VJCJADIOUJNUDD-UHFFFAOYSA-N	275.352	1.998	10	20	CDCD	
COc1cc(CN2CCO[C@H](CF)C2)c(O)cc1C	840171767	IGNOLNUAQMPBJJ-GFCCVEGCSA-N	269.316	1.880	10	20	CDCD	
CN1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1(C)C	848033998	TZOQNAGZARNMBZ-ALCCZGGFSA-N	290.363	1.664	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCN(C)[C@@H]1C	843850666	GLWKACQMZJADNN-DMDPSCGWSA-N	292.379	1.485	10	20	CDCD	
CCCC[C@H](COC)NC(=O)C(=O)Nc1ccc(N)cc1	841041424	FWMGKSDHERBHQO-CYBMUJFWSA-N	293.367	1.529	10	20	CDCD	
Nc1ccc(CCNC(=O)N2CC[C@@H](CCCO)C2)cc1	841955708	KWIUQNGHYOCYPP-CQSZACIVSA-N	291.395	1.615	10	20	CDCD	
C[C@@H](c1ccc(N(C)C)cc1)N1C(=O)N[C@@H]([C@@H](C)O)C1=O	924716590	IWHURPUCAFBRKT-CWSCBRNRSA-N	291.351	1.115	10	20	CDCD	
Cc1ccc(C(=O)N(C)[C@@H]2CCC(=O)N(C)C2)c(O)c1O	848129467	QBCGFGSOJSUMNN-SNVBAGLBSA-N	292.335	1.099	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NCCN2CC[C@@H](O)C2)c1	858549109	SDZPHOSELVXRKB-VXGBXAGGSA-N	280.368	1.118	10	20	CDCD	
COC[C@H](C)NC(=O)NCCCSc1nccs1	753342055	GUIZYJPPMQTBLP-VIFPVBQESA-N	289.426	1.959	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)NC[C@@H](C)N(C)C)c1	756536417	VNIUEQFCGVZLLV-MNOVXSKESA-N	280.368	1.780	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)NCC1CSC1	923814424	XGYYTVSCVKHVIK-UHFFFAOYSA-N	266.366	1.897	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)NC[C@H](C)OC)c1	852530513	IAMAEJJWLSRFQN-UWVGGRQHSA-N	282.340	1.796	10	20	CDCD	
COc1cc(O)c(CNCCOC(C)C)cc1OC	757977148	FRWOHVDELKHIFP-UHFFFAOYSA-N	269.341	1.924	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NCCOC(C)C)c1	858360832	YKCNCIRFFLZKSE-UHFFFAOYSA-N	266.341	1.925	10	20	CDCD	
C[C@@H]1CN(Cc2cc3c(cc2O)OCO3)CC[C@H]1C(=O)O	863739664	NSLULIVNTAFNAM-MWLCHTKSSA-N	293.319	1.664	10	20	CDCD	
COc1cccc(O)c1CN1CCN(CC2CC2)CC1	768770678	IQBCNVBPVREJDN-UHFFFAOYSA-N	276.380	1.928	10	20	CDCD	
CCOc1ccc(CN2CCO[C@H](COC)C2)c(O)c1	769460477	JRXWRXKISDMXPI-AWEZNQCLSA-N	281.352	1.638	10	20	CDCD	
Cc1cccc(O)c1CNC[C@@H](O)C1CCOCC1	877044377	ZZMGXVQSYNUGPE-OAHLLOKOSA-N	265.353	1.578	10	20	CDCD	
Cc1ccc(CN(CCN(C)C)CCN(C)C)c(O)c1	877526145	QHGONTJGQOYMGW-UHFFFAOYSA-N	279.428	1.626	10	20	CDCD	
CCN(C)c1ccc(CN(C)CCS(C)(=O)=O)cc1	773746577	ABUPKCWEARIABU-UHFFFAOYSA-N	284.425	1.619	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H]2CCN(C)C2)c1O	775013904	RTIJTBBBUZCZFJ-SNVBAGLBSA-N	281.312	1.103	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@H](CO)C2CC2)c1O	775026973	CSEXBJIVFMFTTB-SNVBAGLBSA-N	282.296	1.170	10	20	CDCD	
CCCCN1CC(=O)N[C@@H]1c1cc(F)cc(F)c1O	887326850	PHPLRUWXMGPDHF-ZDUSSCGKSA-N	270.279	1.901	10	20	CDCD	
Cn1cc([C@H](O)CNCc2cc(F)cc(F)c2O)cn1	883018487	FUSUSPSLECWMKL-GFCCVEGCSA-N	283.278	1.227	10	20	CDCD	
Cn1cc(NC(=O)c2c(F)ccc(O)c2O)ccc1=O	789957967	IFUZQUCYZKELLT-UHFFFAOYSA-N	278.239	1.188	10	20	CDCD	
Cn1ncc(C(=O)NCc2ccc(N3CCCCC3)cc2)n1	785983162	XEYFZRPCLHUSEY-UHFFFAOYSA-N	299.378	1.735	10	20	CDCD	
CCN[C@H](C)C[C@@H](C)NC(=O)c1cc(OC)nc(OC)c1	1134871037	CBONRJBZBZRFAA-GHMZBOCLSA-N	295.383	1.605	10	20	CDCD	
COc1ccc(CNCc2cc(C)on2)c(O)c1OC	892677268	YBDODWJVBRPGKG-UHFFFAOYSA-N	278.308	1.996	10	20	CDCD	
CN(C)c1ccc([C@H](CNCc2ncc[nH]2)N(C)C)cc1	898451686	NPYJYWJJTQMXDE-HNNXBMFYSA-N	287.411	1.868	10	20	CDCD	
COc1cc(C)cc(CN2CCOC[C@]23CCOC3)c1O	894662218	IVMNOGVOUMCRTH-MRXNPFEDSA-N	293.363	1.701	10	20	CDCD	
CCOc1ccc(N2CCN(CC(OC)OC)CC2)cc1	1207254581	IMWRHKJVOOUMQJ-UHFFFAOYSA-N	294.395	1.826	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1=CCOCC1	793796479	KNFNBLUTLNCFPB-SNVBAGLBSA-N	277.320	1.492	10	20	CDCD	
COc1ccc(CNC(=O)/C=C/c2cnn(C)c2)c(O)c1	794378436	HCPBEBDLQZLMRD-ZZXKWVIFSA-N	287.319	1.464	10	20	CDCD	
O=C(NCCOc1cccnc1)c1cccc(O)c1O	790719290	ZMCIDCPVGOPCBK-UHFFFAOYSA-N	274.276	1.302	10	20	CDCD	
CCC[C@H](O)CNCc1ccc(N2CCOCC2)cc1	134555280	UODHCCSBCQFOMI-INIZCTEOSA-N	278.396	1.774	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NCC(=O)N2CCCC2)c1	135728571	XQKZEAJQEGCBIS-LLVKDONJSA-N	278.352	1.674	10	20	CDCD	
CC[C@H](NC(=O)C(=O)N(C)Cc1ccccc1O)C1CC1	1328585347	SKJGVTRPSZUDGT-ZDUSSCGKSA-N	290.363	1.655	10	20	CDCD	
CN(C)C(=O)CNCc1c(O)cccc1Br	706883080	AAFFYPSIAIZMIE-UHFFFAOYSA-N	287.157	1.333	10	20	CDCD	
CC[C@@H](C)NC(=O)CN1CCCc2cc(CN)ccc21	62801561	IGWAGTICVISJLB-GFCCVEGCSA-N	275.396	1.813	10	20	CDCD	
COC(=O)[C@@H]1C[C@H](OC)CCN1Cc1ccc(N)cc1	1335289578	PATGALVOQDQYPM-KGLIPLIRSA-N	278.352	1.421	10	20	CDCD	
COCCN(CCC(=O)O)Cc1ccc(F)c(F)c1O	1604604510	ADXZLQLBQQPFRV-UHFFFAOYSA-N	289.278	1.594	10	20	CDCD	
Cc1cc(O)c(CN2C[C@H](O)C[C@@H](C(=O)O)C2)cc1C	1600286601	RQCRZGZYDLKNOH-CHWSQXEVSA-N	279.336	1.276	10	20	CDCD	
Cc1c(NCc2ccccc2O)cnn1CC(=O)O	1610425862	CXDAJTUXOOXYSR-UHFFFAOYSA-N	261.281	1.594	10	20	CDCD	
C[C@@H]1C[C@@H](N[C@H](C)c2cc(C(=O)O)ccc2O)CO1	1594260679	FHCNICLUHMYTDY-FXPVBKGRSA-N	265.309	1.918	10	20	CDCD	
NC(=O)N=Nc1ccc(C(=O)NCCC(=O)O)cc1	1594644667	IVGCTYWDRKWMSZ-UHFFFAOYSA-N	264.241	1.054	10	20	CDCD	
COc1ccc(N(C)C[C@@H]2CCS(=O)(=O)C2)cc1	844353030	OTDUKZJDQRTYBH-NSHDSACASA-N	269.366	1.566	10	20	CDCD	
Nc1ccc(CCNC(=O)COCC(F)(F)F)cc1	226249044	NHVUSKLQLPHENA-UHFFFAOYSA-N	276.258	1.506	10	20	CDCD	
CC(C)(CNCc1cc(F)ccc1O)N1CCOCC1	226582641	WSIDMJRIHUHWPC-UHFFFAOYSA-N	282.359	1.732	10	20	CDCD	
CC(C)CS(=O)(=O)CCC(=O)Nc1ccc(N)cc1	35320374	JGMZQPYWWIJEOQ-UHFFFAOYSA-N	284.381	1.668	10	20	CDCD	
COc1cccc(CNC2CCS(=O)(=O)CC2)c1O	36331597	LCRSGGAWBPPLON-UHFFFAOYSA-N	285.365	1.068	10	20	CDCD	
COc1cc(N(C)CC[C@H](C)O)c([N+](=O)[O-])cc1OC	161836363	DTWBDSXJBDBHFI-VIFPVBQESA-N	284.312	1.819	10	20	CDCD	
CS(=O)(=O)c1cccnc1NCc1ccccc1O	168473972	ZERDRAWHHLAWBD-UHFFFAOYSA-N	278.333	1.803	10	20	CDCD	
CCNC(=O)CN(C)Cc1cccc(CC)c1O	821983013	OBAHYWKDMLAWTB-UHFFFAOYSA-N	250.342	1.523	10	20	CDCD	
CN(Cc1c(O)cccc1Br)[C@H]1CCNC1=O	862252859	HZDASNRLHWWEBI-JTQLQIEISA-N	299.168	1.475	10	20	CDCD	
CC(=O)N[C@@](C)(C(=O)N(C)c1ccc(N)cc1)C(C)C	1344368919	NLUPKYKGAIDECN-OAHLLOKOSA-N	277.368	1.782	10	20	CDCD	
C[C@H](NCCO)c1ccc(N2CCOCC2)c(F)c1	20551039	CWPIZKNZDVJVNS-NSHDSACASA-N	268.332	1.305	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)Cc1cnn(C)c1	115282109	VAGJGFGKRNQNKE-UHFFFAOYSA-N	286.379	1.653	10	20	CDCD	
COc1ccc(N(C)CC(=O)NC2CC2)cc1OC	63616853	IQIDWNAKYQBBEY-UHFFFAOYSA-N	264.325	1.419	10	20	CDCD	
COC(=O)C(C)(C)NCc1cc(OC)ccc1O	37085101	HYCKCFGOPWLWKR-UHFFFAOYSA-N	253.298	1.442	10	20	CDCD	
Oc1ccc(F)cc1CN1CCN(C2CCOCC2)CC1	180186557	XKKVXENPNSIJPT-UHFFFAOYSA-N	294.370	1.828	10	20	CDCD	
CN(Cc1ccc(N(C)C)c(F)c1)CC(C)(CO)CO	128057069	FOHOBJLAEQPCCA-UHFFFAOYSA-N	284.375	1.314	10	20	CDCD	
O=C(O)[C@H]1CCCN(C(=O)c2cccc(O)c2O)C1	125983964	PEHQJZGSZIRQJL-QMMMGPOBSA-N	265.265	1.035	10	20	CDCD	
COC(=O)C[C@H](C)C(=O)NCc1ccc(N(C)C)cc1C	133932766	HGQPWLJFDJSZLJ-LBPRGKRZSA-N	292.379	1.876	10	20	CDCD	
CCOCCN(CC)C(=O)/C=C/c1ccc(O)c(O)c1	181054461	HJMRZCYXVKFCNH-SOFGYWHQSA-N	279.336	1.996	10	20	CDCD	
C[C@H](O)CN(C)CC(=O)N(C)Cc1ccc(N(C)C)cc1	131111114	YPDZUBDVTLVIGN-ZDUSSCGKSA-N	293.411	1.024	10	20	CDCD	
CCS(=O)(=O)CCN(C)Cc1cccc(C)c1O	180422353	AKFVCPBJLQZZBF-UHFFFAOYSA-N	271.382	1.567	10	20	CDCD	
C[C@@H]1O[C@H](C)[C@@H](C(=O)NCc2ccc(O)c(O)c2)[C@H]1C	528859785	FXSQBCCLUOBAPY-RZGXBDKHSA-N	279.336	1.774	10	20	CDCD	
C[C@H](NCCCNS(C)(=O)=O)c1ccc(F)cc1O	184921025	WMOVALPFBYMLOL-VIFPVBQESA-N	290.360	1.121	10	20	CDCD	
CCOc1ccc(O)c(CNC[C@@]2(O)CCO[C@H]2C)c1	278750623	WGEZSXWWKBRLRT-NHYWBVRUSA-N	281.352	1.420	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H](C)Cn2ccnc2)c(O)c1O	272527495	ABYVODMCMOJGOZ-JTQLQIEISA-N	275.308	1.421	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)[C@H]1CCc2[nH]ncc2C1	272356044	RJRCSPJBULFETO-JTQLQIEISA-N	287.319	1.242	10	20	CDCD	
CC(=O)N1CCCC[C@H]1C(=O)NCc1ccccc1O	286835511	VEJDPIBIOIAJSZ-ZDUSSCGKSA-N	276.336	1.409	10	20	CDCD	
C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1c(F)ccc(O)c1O	295217169	XVSUYAINPCNVCD-KWQFWETISA-N	294.326	1.449	10	20	CDCD	
COCC[C@H]1COCCN1Cc1ccc(N(C)C)cc1	291171648	DRINJTZKCMZFED-INIZCTEOSA-N	278.396	1.990	10	20	CDCD	
CN1CCC[C@@H]1C(=O)NCc1ccc(N2CCCC2)cc1	299548669	QEDDYZLZRDDOSF-MRXNPFEDSA-N	287.407	1.997	10	20	CDCD	
CNS(=O)(=O)NCc1cc(Cl)cc(Cl)c1O	805135664	PWFCPQOKTPATBS-UHFFFAOYSA-N	285.152	1.253	10	20	CDCD	
CCN1CCN(C(=O)c2cc(O)cs2)[C@@H](C)C1	807689420	RALXGWOSCIMEGG-VIFPVBQESA-N	254.355	1.620	10	20	CDCD	
Cc1cc(CN2CCCNC(=O)C2)ccc1N(C)C	815033139	ADTJFSHECRAGGH-UHFFFAOYSA-N	261.369	1.383	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@](C)(O)C1CCC1	813514258	ZAZCSCHTQUFRMD-MGPLVRAMSA-N	293.363	1.696	10	20	CDCD	
C[C@@H](NC[C@@H](N)c1ccc(N(C)C)cc1)[C@H]1CCCN1	817942966	SGSPMQDMOTWIIR-DAXOMENPSA-N	276.428	1.483	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=S)NCCN(C)C)c1	728792665	MIZRUUAEXUUVQD-SNVBAGLBSA-N	297.424	1.488	10	20	CDCD	
CC[C@@H](O)[C@@H](C)C(=O)NCc1ccc(OC)cc1O	907925293	FSMIAUSQAJRSLU-BXKDBHETSA-N	267.325	1.424	10	20	CDCD	
CCCCNC(=O)[C@@H](C)OC(=O)c1cc(O)cs1	732354180	GFQFHSBZDCUIHI-MRVPVSSYSA-N	271.338	1.915	10	20	CDCD	
Cc1noc(C2CN(Cc3cccc(C)c3O)C2)n1	839130932	IUDFWBKZCCIFAR-UHFFFAOYSA-N	259.309	1.991	10	20	CDCD	
COc1cccc(CNC(=O)[C@]2(C)CCCCO2)c1O	837485591	OLWJCBOFPZVWGN-HNNXBMFYSA-N	279.336	1.976	10	20	CDCD	
COc1ccc(O)c(CN[C@H]2CCCNCC2)c1	841058834	VYXHWHCVNBVOTN-LBPRGKRZSA-N	250.342	1.633	10	20	CDCD	
COc1cc(O)c(CN(C)CC(C)(C)CN)cc1OC	843056019	CHBQDEXUOUHCBN-UHFFFAOYSA-N	282.384	1.826	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@H](C)C(=O)O)c1	841768549	NJNVIBFOYLIXCD-YUMQZZPRSA-N	267.281	1.299	10	20	CDCD	
CCOC(=O)C1(CNC(=O)c2cc(O)cs2)CCC1	740933114	UWYIMCUUZXTUMQ-UHFFFAOYSA-N	283.349	1.917	10	20	CDCD	
C[C@H](CCO)N(C)Cc1ccc(N2CCN(C)CC2)cc1	846112729	XFGLPYBCWWKIPV-OAHLLOKOSA-N	291.439	1.641	10	20	CDCD	
CC(C)[C@@H](N)CNC(=O)N(C)Cc1ccc(N(C)C)cc1	841944069	VMEAXDDWRQWYGS-HNNXBMFYSA-N	292.427	1.877	10	20	CDCD	
Nc1ccc(CCNC(=O)N2CCC[C@H](CO)CC2)cc1	841955687	JXAFVGYCXSVREM-AWEZNQCLSA-N	291.395	1.615	10	20	CDCD	
COC(=O)c1ccc(CNCCc2ccc(N)cc2)o1	841036515	UBVRVEDYXBIHNI-UHFFFAOYSA-N	274.320	1.981	10	20	CDCD	
O=C(CCc1ccncn1)NCc1ccccc1O	756863834	XOJXJJYRNFHEDY-UHFFFAOYSA-N	257.293	1.431	10	20	CDCD	
CCCn1cc(C(=O)NCCc2ccc(O)c(O)c2)nn1	767148196	KHQJFFNGLFTKAO-UHFFFAOYSA-N	290.323	1.072	10	20	CDCD	
C[C@@H](N[C@@H]1COCC[C@H]1O)c1cc(F)cc(F)c1O	866498492	XXLVZTPLASPBRR-NZXMKCKXSA-N	273.279	1.471	10	20	CDCD	
COC[C@@H]1CCCN1Cc1cc2c(cc1O)OC[C@H]2O	768464416	QUJVQJFCSKMXOS-SMDDNHRTSA-N	279.336	1.429	10	20	CDCD	
Cc1ccc(CNCCNC(=O)C(C)C)c(O)c1	876891931	HLIFOCNGDJOSKN-UHFFFAOYSA-N	250.342	1.562	10	20	CDCD	
CC(C)N1CCC(O)(CNC(=O)c2cc(O)cs2)CC1	761606523	IKZGHNIEEABICE-UHFFFAOYSA-N	298.408	1.419	10	20	CDCD	
CCN(C)c1ccc(CN2CCCC[C@@H]2C(N)=O)cc1	773730406	GROFZFFEDWHKHY-OAHLLOKOSA-N	275.396	1.983	10	20	CDCD	
COC[C@@](C)(O)CNCc1cc(Cl)cc(F)c1O	776174056	FRHRHWQVIGHQFN-LBPRGKRZSA-N	277.723	1.672	10	20	CDCD	
C[C@H]1COCCCN1C(=O)/C=C/c1ccc(O)c(O)c1	779538087	UYECSWUYDRUEJI-MALLOTDXSA-N	277.320	1.748	10	20	CDCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NCc1ncnn1C	877591528	DZOBVEVOWQTBJV-ZDUSSCGKSA-N	287.411	1.910	10	20	CDCD	
C[C@H](CCO)CNCc1ccc(N2CCC(O)CC2)cc1	877067223	DLWDGMAZCABBAU-CQSZACIVSA-N	292.423	1.756	10	20	CDCD	
C[C@@H](NC(=O)C(=O)NC1CC1)c1ccc(N(C)C)cc1	775406920	QGDFHQCVQNCBRK-SNVBAGLBSA-N	275.352	1.208	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NCc2nnnn2C2CC2)c1	775369689	FKBKJAVAYUKUKQ-SECBINFHSA-N	289.339	1.573	10	20	CDCD	
C[C@@H](NC(=O)c1n[nH]c(O)n1)c1ccc(N(C)C)cc1	776269062	IHFHSYQJBFPTIH-MRVPVSSYSA-N	275.312	1.067	10	20	CDCD	
CCOC(=O)c1cnc(SCCc2nn[nH]n2)s1	882473177	ISTZYNQFKQFWFU-UHFFFAOYSA-N	285.354	1.168	10	20	CDCD	
COC(=O)[C@@H]1CCN(Cc2c(O)cccc2OC)[C@H]1C	787421510	STHJNGAUVINHGA-WDEREUQCSA-N	279.336	1.784	10	20	CDCD	
COc1cc(C)cc(CN2C[C@H]3[C@@H](O)CC[C@H]3C2)c1O	895780596	OWTWPUQBVPUWMY-YUTCNCBUSA-N	277.364	1.912	10	20	CDCD	
Cn1cncc1CNC(=O)NCCc1ccc(N)cc1	892038990	NJTWDIKRPHYMSL-UHFFFAOYSA-N	273.340	1.044	10	20	CDCD	
COc1ccc(CN2CC[C@H]([C@H](C)O)C2)c(O)c1OC	893472329	QHGOCLLDTNMHEM-QWRGUYRKSA-N	281.352	1.612	10	20	CDCD	
COC[C@H]1CN(C(=O)c2cc(O)cs2)C[C@@H](C)O1	784800310	ZMNNCJNJYNMBHB-PSASIEDQSA-N	271.338	1.330	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)c1c[nH]c2cccnc12	791221737	YZBZTRWFLOMHSJ-UHFFFAOYSA-N	297.314	1.947	10	20	CDCD	
COc1ccc(CNC(=O)Nc2ccncn2)c(O)c1	797648093	VJSSSWAOKXMOPH-UHFFFAOYSA-N	274.280	1.513	10	20	CDCD	
Cc1nnc(CC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)o1	1326069984	COXISMYAZUSQQN-MRVPVSSYSA-N	291.307	1.079	10	20	CDCD	
O=C1N[C@H]2CN(Cc3c(O)cccc3Cl)CC[C@@H]2CO1	1326614644	PPLVVQNLAYEYCM-SKDRFNHKSA-N	296.754	1.976	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)c1cccc(O)n1	788308399	PGYZIZHEAQAUCQ-UHFFFAOYSA-N	274.276	1.171	10	20	CDCD	
O=C(O)Cc1occc1C(=O)NCc1c(O)cccc1O	1602155777	XNQAFVWOJGQHAC-UHFFFAOYSA-N	291.259	1.248	10	20	CDCD	
Cc1ccc(CN(CC(=O)O)C2CCOCC2)c(O)c1	1607778441	WRTVXIUSWJKIDD-UHFFFAOYSA-N	279.336	1.766	10	20	CDCD	
CN1CC[C@@H](Sc2ncc(C(=O)O)s2)C1=O	1610135111	WVJCVZRERVFWGE-RXMQYKEDSA-N	258.324	1.164	10	20	CDCD	
Oc1cccc(Cl)c1CNc1cc2n(n1)CCNC2	1580888722	WZDHNOTVUYGEMW-UHFFFAOYSA-N	278.743	1.957	10	20	CDCD	
C[C@H]1CN(C(=O)Cc2ccc(O)c(O)c2)CC[C@H]1C(=O)O	1599918611	QEYYPEHYYFRYLT-GXSJLCMTSA-N	293.319	1.210	10	20	CDCD	
CCN(CC)c1ccc(CNC[C@@H](O)CC(=O)O)cc1F	1776860905	BEZPKKPKBHGULV-LBPRGKRZSA-N	298.358	1.597	10	20	CDCD	
COc1ccc(N(CC(=O)O)CC(=O)NC(C)C)cc1	200740937	ZFFIMPHCKKDOCX-UHFFFAOYSA-N	280.324	1.111	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[C@H]1CO	153849405	LOFGFXGGIZNBQZ-MALLOTDXSA-N	263.293	1.094	10	20	CDCD	
CC(=O)N1CCN(Cc2ccc(N(C)C)c(F)c2)CC1	157844400	FKICMLDUYNMQPS-UHFFFAOYSA-N	279.359	1.556	10	20	CDCD	
CN(CCCC(=O)O)c1ccc2c(c1)OCCO2	258984301	YMKSXQZRGXCXTO-UHFFFAOYSA-N	251.282	1.759	10	20	CDCD	
CCc1cccc(CN(CC)[C@H]2CCNC2=O)c1O	848909691	ZQTAWPJAJAPNSH-ZDUSSCGKSA-N	262.353	1.665	10	20	CDCD	
C[C@H]1C[C@@H](C(=O)NCc2ccc(N(C)C)cc2)CCN1	235693095	KTXVHZWVXWMERQ-JSGCOSHPSA-N	275.396	1.757	10	20	CDCD	
CCOc1cccc(CN2CCO[C@@H]([C@@H](C)N)C2)c1O	156393925	IAKWVHRIEWHOCA-BXUZGUMPSA-N	280.368	1.339	10	20	CDCD	
COc1ccc(O)c(CNC2CCN(C(C)=O)CC2)c1	37138313	JHSIFYKMDDRJON-UHFFFAOYSA-N	278.352	1.501	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NCC2(S(C)(=O)=O)CC2)c1	280917305	HAMVCUHWIREYCE-SNVBAGLBSA-N	299.392	1.629	10	20	CDCD	
COc1ccc(O)c(CN(C)Cc2nncn2C)c1	290257318	WHLVNJWJCSBQOL-UHFFFAOYSA-N	262.313	1.161	10	20	CDCD	
CN1CC[C@@H]2CN(C(=O)c3cccc(O)c3O)C[C@@H]2C1	313076847	WJYFDWVXJHLAQF-MNOVXSKESA-N	276.336	1.122	10	20	CDCD	
CCOC[C@H]1CN(Cc2ccc(N)cc2)CCO1	705863831	MPVPHCKHDVFYRL-CQSZACIVSA-N	250.342	1.506	10	20	CDCD	
C[C@@H]1CS(=O)(=O)CCN1Cc1cc(F)cc(F)c1O	708421022	BFIKYNLJUMDLFY-MRVPVSSYSA-N	291.319	1.289	10	20	CDCD	
CC(C)N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1O	179389260	AUODIKFNZGXGAT-UHFFFAOYSA-N	286.353	1.244	10	20	CDCD	
Cc1c(CNC(=O)N(C)Cc2ccccc2O)cnn1C	179337687	OZORLVGWJWYIEP-UHFFFAOYSA-N	288.351	1.776	10	20	CDCD	
CNc1nc(C(=O)NCc2cccc(OC)c2O)cs1	120007728	WMIMESBWAJPLLE-UHFFFAOYSA-N	293.348	1.829	10	20	CDCD	
COC(=O)[C@H](C)N[C@H](C)c1ccc(N(C)C)cc1	37303076	YILFIIKGLBYVIV-MNOVXSKESA-N	250.342	1.965	10	20	CDCD	
COC(=O)N1CC(N[C@@H](C)c2cc(F)ccc2O)C1	186137829	FSLVPMFMLRJFOT-QMMMGPOBSA-N	268.288	1.633	10	20	CDCD	
COc1ccc(N(C)CCCS(C)(=O)=O)cc1F	121702649	NCWQJQZLLDTHRH-UHFFFAOYSA-N	275.345	1.705	10	20	CDCD	
Cc1ccc(C(=O)N(C)C[C@H]2CCCOC2)c(O)c1O	182403021	JWZHEMYVQNCWKJ-LLVKDONJSA-N	279.336	1.905	10	20	CDCD	
CC(C)(C)[S@@](=O)CCNC(=O)c1cccc(O)c1O	187089269	KXGMGANMBBVZIE-IBGZPJMESA-N	285.365	1.375	10	20	CDCD	
Cc1ccc(C)n1-c1ccc(C(=O)Nc2nnn[nH]2)cc1	76963591	FCOPBPCZSQNNEB-UHFFFAOYSA-N	282.307	1.860	10	20	CDCD	
CCN(CC)[C@@H]1CCN(C(=O)c2ccc(C)c(O)c2O)C1	182527562	MGDQXMDOYJOZQE-GFCCVEGCSA-N	292.379	1.963	10	20	CDCD	
NC[C@H]1CCN(Cc2cc(Br)ccc2O)C1	219838971	DIVZZHPTMGTMKB-SECBINFHSA-N	285.185	1.935	10	20	CDCD	
CCN(Cc1cc(F)ccc1O)[C@H]1CCS(=O)(=O)C1	179883363	XFOYARKEYWLXMM-LBPRGKRZSA-N	287.356	1.540	10	20	CDCD	
Cc1cc(O)c(CN(CC(N)=O)CC(C)C)cc1C	92011389	YSWMYHKZZFFDNP-UHFFFAOYSA-N	264.369	1.952	10	20	CDCD	
Oc1cc2c(cc1CN[C@H]1CCc3c[nH]nc3C1)OCO2	363938819	QBINAXSRSAEBIO-NSHDSACASA-N	287.319	1.491	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)OC(C)(C)C	275844148	QMVCIZFFTMOYBA-VIFPVBQESA-N	295.335	1.487	10	20	CDCD	
CN(CCC(N)=O)Cc1ccc(N(C)C)c(F)c1	289662101	NHLFEZQZUDYGQW-UHFFFAOYSA-N	253.321	1.199	10	20	CDCD	
CCOC(=O)[C@H](F)C1CN(C(=O)c2cccc(O)c2O)C1	294144321	LTIXIOIMCUGCCU-LLVKDONJSA-N	297.282	1.071	10	20	CDCD	
CO[C@](C)(C(=O)NCCc1ccc(O)c(O)c1)C1CC1	291942980	POSZAVOMVASHOG-HNNXBMFYSA-N	279.336	1.572	10	20	CDCD	
CCN(Cc1cc(OC)c(OC)cc1O)[C@@H](C)CO	293666093	OKTIJVKYCOLWOJ-JTQLQIEISA-N	269.341	1.612	10	20	CDCD	
CSC[C@H](O)CNCc1ccc(N2CC=CC2)cc1	819095341	FHGILRSEQQONQE-OAHLLOKOSA-N	278.421	1.876	10	20	CDCD	
C[C@H](NC[C@@H]1CNCCCO1)c1cc([N+](=O)[O-])ccc1O	817980855	FBOPDOODSKXVCE-JQWIXIFHSA-N	295.339	1.330	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN[C@@H](C)C[C@H]1COCCN1	817894700	PZDYOFWXVMGWPG-HOCLYGCPSA-N	291.439	1.918	10	20	CDCD	
O=C1NC(=S)S/C1=C\c1cc(-c2nn[nH]n2)cs1	823540460	FNIFGFZRDWHPFW-KXFIGUGUSA-N	295.374	1.417	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2C[C@@H](C)[C@H](C(=O)O)C2)c1O	825946752	OONDASPRIDYGSH-AMIZOPFISA-N	295.310	1.886	10	20	CDCD	
CC(=O)c1cc(F)cc(CN(C)C[C@@H](C)C(=O)O)c1O	825946905	WPRVQZOUWQDOFD-MRVPVSSYSA-N	283.299	1.886	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1C[C@H]1C(=O)O	738401848	JWSUFJYUBZPHCG-CHWSQXEVSA-N	276.336	1.398	10	20	CDCD	
O=[N+]([O-])c1ccc(O)c(CN[C@@H](CO)[C@@H]2CCCOC2)c1	839651839	SCIOHXMNKYBBJV-MFKMUULPSA-N	296.323	1.178	10	20	CDCD	
O=C(NCc1ccccc1O)c1nnc2ccccc2c1O	731872809	RLXOMHYPTDHASX-UHFFFAOYSA-N	295.298	1.971	10	20	CDCD	
O=C(C[C@H]1C[C@H]2CC[C@H]1O2)NCc1ccc(O)cc1O	910944541	NXBOLXIFSSHZDE-MPKXVKKWSA-N	277.320	1.672	10	20	CDCD	
Cc1ccc(C(=O)N2[C@H]3CC[C@H]2COC3)c(O)c1O	838097829	CYBUMROYTUTCDH-UWVGGRQHSA-N	263.293	1.410	10	20	CDCD	
COCCNC(=O)C1(NCc2ccc(N(C)C)cc2)CC1	839193863	XFAAVYKBMZTNGS-UHFFFAOYSA-N	291.395	1.137	10	20	CDCD	
COc1cc(O)c(CNC[C@@H](C)CN)cc1OC	841050215	ZYISCBJEWPRYET-VIFPVBQESA-N	254.330	1.094	10	20	CDCD	
C[C@@H]1NCCN(C(=O)NCCc2ccc(N)cc2)[C@H]1C	841955934	RSYKSYPEZCAJTK-RYUDHWBXSA-N	276.384	1.203	10	20	CDCD	
Nc1ccc(CCNC(=O)[C@@H]2C[C@]23CCCNC3)cc1	848394297	JMAPSALUQLBWSE-HOCLYGCPSA-N	273.380	1.317	10	20	CDCD	
NC[C@H]1CC[C@@H](NCc2ccc(N3CCOCC3)cc2)C1	841084431	JHQOCKFDCYDDMC-JKSUJKDBSA-N	289.423	1.740	10	20	CDCD	
Cn1cccc1C(=O)OCC(=O)c1ccc(O)c(O)c1	916591551	UGRMCZQRMISOBX-UHFFFAOYSA-N	275.260	1.476	10	20	CDCD	
Cc1nc([N+](=O)[O-])cn1CC(=O)NCc1ccccc1O	748347053	SQKCWUHDSQTMIE-UHFFFAOYSA-N	290.279	1.122	10	20	CDCD	
CC(C)n1nccc1C(=O)NCc1ccc(O)cc1O	910950851	KWJVGFDCOOKLMP-UHFFFAOYSA-N	275.308	1.805	10	20	CDCD	
CCN1CCO[C@H](c2nc(Cc3ccc(N)cc3)no2)C1	843161397	SXDNREJJYRXUQL-ZDUSSCGKSA-N	288.351	1.636	10	20	CDCD	
CC(C)(C)n1nnc(CNCc2ccc3c(c2)CCO3)n1	848565878	UKCPSMODFPSYNO-UHFFFAOYSA-N	287.367	1.653	10	20	CDCD	
Nc1ccc(NC(=O)N[C@H](CO)CC2CCC2)cc1	841299335	JLXVYHAAZMYZCT-ZDUSSCGKSA-N	263.341	1.941	10	20	CDCD	
O=C(O)CN(Cc1cc2c(cc1O)OCO2)C1CCC1	848639334	HULMQLISSTZUKE-UHFFFAOYSA-N	279.292	1.560	10	20	CDCD	
Cn1cncc1CCC(=O)NCc1ccc(O)cc1O	910947896	QVEARPCSYQJQAJ-UHFFFAOYSA-N	275.308	1.080	10	20	CDCD	
CN(C)c1ccc(CN[C@@H](CCN)C(F)F)cc1	841071950	KGKXGOCZOWBLSM-LBPRGKRZSA-N	257.328	1.825	10	20	CDCD	
CON(C)C(=O)[C@H](C)N[C@H]1CCc2cccc(O)c21	858580678	UEKJBDGYIDANIV-ONGXEEELSA-N	264.325	1.377	10	20	CDCD	
Cn1nnc2c1CC[C@H](NCc1ccc3c(c1)CCCO3)C2	922227026	SMBWTFGUGRUUNK-AWEZNQCLSA-N	298.390	1.787	10	20	CDCD	
C[C@@H](NC(=O)NC[C@H]1COCO1)c1ccc(N(C)C)cc1	922053154	CSYLGIPUWLHWTR-RISCZKNCSA-N	293.367	1.486	10	20	CDCD	
CC[C@H](C(=O)NCc1cc(C)ccc1O)N1CCCC1=O	862760232	OIXZLCFCMUSXCF-CYBMUJFWSA-N	290.363	1.718	10	20	CDCD	
CN(Cc1cc2c(cc1O)OC[C@H]2O)CC1(C)COC1	863296486	MUGQHTAVYPRZBC-CYBMUJFWSA-N	279.336	1.286	10	20	CDCD	
O=C1O[C@H]2C[C@H]1N(Cc1ccc(N3CCCC3)cc1)C2	1117788917	AQACWEBWOZQGPS-LSDHHAIUSA-N	272.348	1.787	10	20	CDCD	
CC[C@@H](N[C@@H]1CCOC[C@H]1O)c1ccc(N(C)C)cc1	872140930	DTARKAUPRRUGMT-BZUAXINKSA-N	278.396	1.943	10	20	CDCD	
O=C(Cc1n[nH]c2c1CCCC2)NCc1ccccc1O	777274803	MKMJNIGOUGPTOU-UHFFFAOYSA-N	285.347	1.853	10	20	CDCD	
CC(=O)C1=NN(c2cccc([N+](=O)[O-])c2C)C(=O)C1	871951993	WPYFQBZFLDXEMH-UHFFFAOYSA-N	261.237	1.585	10	20	CDCD	
Nc1ccc(CNC(=O)NC[C@H]2CSCCS2)cc1	1120525825	VMEWSPRVGXQPMH-LBPRGKRZSA-N	297.449	1.917	10	20	CDCD	
COc1cc(O)c(CN[C@H](CO)CC2CC2)cc1OC	776251802	BDRSKQFIRIIQLK-LBPRGKRZSA-N	281.352	1.660	10	20	CDCD	
O=C(NCc1ccccc1O)N[C@H]1CCn2ccnc2C1	777667843	KQPPPHDDXLBEPN-LBPRGKRZSA-N	286.335	1.403	10	20	CDCD	
CC(C)CN(CC(N)=O)Cc1cc2c(cc1O)OCO2	132905215	VNNYVPDLGXKLDJ-UHFFFAOYSA-N	280.324	1.064	10	20	CDCD	
C[C@H](NC[C@]1(O)CCN(C)C1)c1c(O)cccc1F	886590146	ORHSYBPKBMYDCJ-IINYFYTJSA-N	268.332	1.249	10	20	CDCD	
COc1ccc(CNCCC(C)(C)CO)c(O)c1OC	894680556	BBPADEIITJWFQU-UHFFFAOYSA-N	283.368	1.908	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)NOC[C@@H]1CCOC1	788568718	CKBRSKHSVVTQNF-CJHWANRJSA-N	279.292	1.195	10	20	CDCD	
CC(=O)N1CCN(Cc2cc(F)cc(F)c2O)[C@H](C)C1	894035357	XXYQEXKTKCNOAV-SECBINFHSA-N	284.306	1.723	10	20	CDCD	
CCC[C@H](NCc1cc([N+](=O)[O-])ccc1O)C(=O)O	1326323914	OXWWYMAHGLIDRJ-JTQLQIEISA-N	268.269	1.643	10	20	CDCD	
Oc1cnc(NCc2ccc(N3CCOCC3)cc2)nc1	1336385806	FBHPFLDRGNDGBK-UHFFFAOYSA-N	286.335	1.631	10	20	CDCD	
CC[C@@H]1CN(C(=O)NCc2ccc(N)cc2)CCO1	1357790670	FVJZSVGWSQDVLQ-CYBMUJFWSA-N	263.341	1.589	10	20	CDCD	
Nc1ccc(CNC(=O)NC2CCN(C3CC3)CC2)cc1	1356555638	BBUZKFHKOBRVHD-UHFFFAOYSA-N	288.395	1.695	10	20	CDCD	
CN1CCN(C(=O)Nc2ccc(N)cc2)CC1(C)C	104362891	PBOGVIADPRIZBH-UHFFFAOYSA-N	262.357	1.827	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC[C@@H](C)C(=O)O)c1	1604821317	YBNYYZUWEJWXDP-RKDXNWHRSA-N	253.298	1.772	10	20	CDCD	
C[C@H](N[C@H](C)[C@H](C)N)c1cc(C(=O)O)ccc1O	1609777916	XPDKCPAGBLMWQK-YIZRAAEISA-N	252.314	1.477	10	20	CDCD	
C[C@@H](CN1CCCC1=O)NCc1cc(F)ccc1O	226585475	DFRUDMOBURLUTH-JTQLQIEISA-N	266.316	1.632	10	20	CDCD	
O=C(CCC1CCNCC1)NCc1ccccc1O	228421700	RDUOSKGBVPOZOB-UHFFFAOYSA-N	262.353	1.788	10	20	CDCD	
C[C@@H](Nc1cc(-c2nn[nH]n2)cnn1)c1ccccc1O	1591730128	VGCSDYMNBRHCDA-MRVPVSSYSA-N	283.295	1.535	10	20	CDCD	
O=C(O)CN1CCC(N[C@H]2CCc3cccc(O)c32)CC1	1595078830	BLMLDNGQGMVEAK-ZDUSSCGKSA-N	290.363	1.518	10	20	CDCD	
O=C(Nc1c[nH]nc1C(=O)O)c1cc(O)cs1	1594799733	ZUTSZCFAJOLDIN-UHFFFAOYSA-N	253.239	1.127	10	20	CDCD	
CN(C)c1ccc(/C=C\CN[C@H](CF)C(=O)O)cc1	1598314572	YJENBJFHRMSTHI-DHCBQETCSA-N	266.316	1.778	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2C[C@H]3C[C@]3(C(=O)O)C2)c1O	1776210828	WELHVQCOQIVQPZ-BMIGLBTASA-N	293.294	1.640	10	20	CDCD	
CCN(C)c1ccc(CN[C@H](COC)C(=O)O)c(C)c1	1776856204	UMGMWCHHLPSMFK-CQSZACIVSA-N	280.368	1.640	10	20	CDCD	
COc1cccc(O)c1CNCc1snnc1C	813790690	ZNXKEDDFSFERJA-UHFFFAOYSA-N	265.338	1.851	10	20	CDCD	
Cc1ccc(O)c(CNCCO[C@@H]2CCOC2)c1	922938675	SZKLAMQINOMUNQ-CYBMUJFWSA-N	251.326	1.596	10	20	CDCD	
CC(=O)N1CCCN(Cc2ccc(C)cc2O)CC1	876555415	XTZXCNKBBFKLTF-UHFFFAOYSA-N	262.353	1.755	10	20	CDCD	
COC[C@H](C)OC[C@H](O)CN(C)c1ccc(N)cc1	702111305	PNTZTDNSZJANKJ-SMDDNHRTSA-N	268.357	1.117	10	20	CDCD	
COCC(COC)N[C@@H](C)c1cc(F)ccc1O	388504411	NRFSNDHJRJYJRO-VIFPVBQESA-N	257.305	1.843	10	20	CDCD	
Cc1nccn1CCNC(=O)c1cccc(O)c1O	382511145	RLYMMJLXTIUQOO-UHFFFAOYSA-N	261.281	1.033	10	20	CDCD	
COC[C@@](C)(O)CN[C@H](C)c1ccc(F)cc1O	382544683	FLHUNPORKQAJGL-RNCFNFMXSA-N	257.305	1.579	10	20	CDCD	
O=C(O)C1=CC[C@@H](NC(=O)c2cccc(O)c2O)C1	694986982	RMIYVFAYDTVARU-MRVPVSSYSA-N	263.249	1.001	10	20	CDCD	
COCCN(C)CCNC(=O)N(C)Cc1ccccc1O	171212145	VWGJYKPUAFELQP-UHFFFAOYSA-N	295.383	1.112	10	20	CDCD	
CC[C@H](OC)C(=O)NCc1ccc(N2CCOCC2)cc1	68226567	CRDNOFMFDFGTCS-HNNXBMFYSA-N	292.379	1.564	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)NCCO)cc1F	66952568	QHZSRWZLIRHVDB-UHFFFAOYSA-N	283.347	1.463	10	20	CDCD	
COc1ccc(N2CCN(Cc3nnc(C)o3)CC2)cc1	62639409	OFPCIFAQQVVRED-UHFFFAOYSA-N	288.351	1.709	10	20	CDCD	
Cc1cccc(CN2CCc3nn(C)c(=O)cc3C2)c1O	180528572	VOCDGVMXOJOAHO-UHFFFAOYSA-N	285.347	1.353	10	20	CDCD	
CC(C)C[C@@H](CO)NC(=O)/C=C/c1ccc(O)c(O)c1	181259485	HCQZMEIFMJFVIC-FUEXJSSKSA-N	279.336	1.634	10	20	CDCD	
COc1ccc(O)c(CN2CCNC(=O)[C@@H]2C(C)C)c1	180043106	OUHGMSJUHLQESH-AWEZNQCLSA-N	278.352	1.357	10	20	CDCD	
COc1ccc(O)c(CN2CCC(C)(CO)CC2)c1	184071929	VSLBQWRKCGRUOX-UHFFFAOYSA-N	265.353	1.995	10	20	CDCD	
CCN(CCO)Cc1cc(OC)c(OC)cc1O	183468472	PRXFANNDEOTBEX-UHFFFAOYSA-N	255.314	1.224	10	20	CDCD	
Nc1ccc(CC(=O)N[C@H]2CCN(C3CC3)C2)cc1	44683259	VZVRXPUIPPGJOF-ZDUSSCGKSA-N	259.353	1.164	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)c1ccc(C(N)=O)nc1	132693079	UWMJCSHOXYBDJS-UHFFFAOYSA-N	285.303	1.158	10	20	CDCD	
CC[C@@H](NC[C@]1(O)CCOC1)c1ccc(N(C)C)cc1	90849155	FXUXGCFOHNKQEB-HZPDHXFCSA-N	278.396	1.945	10	20	CDCD	
Nc1ccc(NC(=O)N2CCN(CC3CC3)CC2)cc1	48995960	ILBSCSNVDLTLOS-UHFFFAOYSA-N	274.368	1.828	10	20	CDCD	
C[C@H](N[C@H](C)c1cc(F)ccc1O)C(=O)N(C)C	94617126	IUXPEGPWHQWBRY-BDAKNGLRSA-N	254.305	1.659	10	20	CDCD	
Nc1ccc(CCNC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2N)cc1	262569835	BSJARUYRWAEBGK-JURCDPSOSA-N	273.380	1.301	10	20	CDCD	
CCC[C@@H](O)CNC(=O)NCc1ccc(N(C)C)c(F)c1	265125464	HXBQDHHSOOYLPP-GFCCVEGCSA-N	297.374	1.852	10	20	CDCD	
COC[C@@H](CCO)N[C@@H](C)c1cc([N+](=O)[O-])ccc1O	273592737	POYMDMUGFAZPOA-VHSXEESVSA-N	284.312	1.348	10	20	CDCD	
Cc1ccc(O)c(CN[C@H]2CCN(c3cnn(C)c3)C2)c1	377724627	OYMFGTGIFXSMQJ-AWEZNQCLSA-N	286.379	1.803	10	20	CDCD	
C[C@@H](NCc1ccc(N(C)C)cc1)C(=O)NCCF	282829541	ZFUJIODWZZBXGB-LLVKDONJSA-N	267.348	1.316	10	20	CDCD	
CCOc1cc(OCC(=O)C(C)=O)ccc1[N+](=O)[O-]	289598604	KBMRQKGOEWWXTI-UHFFFAOYSA-N	267.237	1.530	10	20	CDCD	
CCOc1ccc(CNCc2cnnn2C)c(O)c1	808436716	PYCBYURHVPXOQV-UHFFFAOYSA-N	262.313	1.209	10	20	CDCD	
CCOCCOC1CN(C(=O)c2c(F)ccc(O)c2O)C1	294877174	FHNUFRFVGLTNEX-UHFFFAOYSA-N	299.298	1.114	10	20	CDCD	
CCCOc1ccc(CN(C)Cc2nncn2C)c(O)c1	290080345	GIZFCIKPNUEQKD-UHFFFAOYSA-N	290.367	1.942	10	20	CDCD	
C[C@H](N)[C@@H]1COCC[C@@H]1NCc1ccc2c(c1)CCO2	817902293	MPNUGCOYAZZNAO-CQDKDKBSSA-N	276.380	1.463	10	20	CDCD	
O=C1CN(Cc2ccc3ccccc3c2O)CCCN1	816496628	QBNINSMKECDNLZ-UHFFFAOYSA-N	270.332	1.867	10	20	CDCD	
Cc1ccc(C(=O)OC[C@H]2CCOC2)c(O)c1O	727004086	NLCXYRGFXDPYNC-VIFPVBQESA-N	252.266	1.600	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)[C@H]1CCc2cccnc21	819906946	KROADYZQBHFFIX-ZDUSSCGKSA-N	298.342	1.882	10	20	CDCD	
O=C(Cc1ncc[nH]1)NCCCSc1nccs1	827475231	VWXMAMTXFOFAOC-UHFFFAOYSA-N	282.394	1.707	10	20	CDCD	
COc1cccc(CNC(=O)N2CCCC2)c1O	727839422	BIQJKFODEKHQAF-UHFFFAOYSA-N	250.298	1.706	10	20	CDCD	
Cc1cccc(CN2CCC[C@@H](NC(=O)N(C)C)C2)c1O	825278912	KZHSIAYGWNQERP-CQSZACIVSA-N	291.395	1.936	10	20	CDCD	
Cc1noc(CCCNC(=O)Cc2ccc(N)cc2)n1	828450277	HYRHYDUFYVVSTC-UHFFFAOYSA-N	274.324	1.252	10	20	CDCD	
CN(C)c1ccc([C@@H](N)CNC(=O)C[C@@H]2CCOC2)cc1	832273361	NPOCTBLQTGRZMS-WFASDCNBSA-N	291.395	1.295	10	20	CDCD	
CCN(CC)c1ccc(CN(C)CCOCCO)cc1	739903216	JQGUZBXIQYRZFM-UHFFFAOYSA-N	280.412	1.974	10	20	CDCD	
COc1cc(CN2CC[C@@H](C(=O)N(C)C)C2)c(O)cc1C	840174846	OLLXIFNVYVVZJZ-GFCCVEGCSA-N	292.379	1.619	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N2CCCC[C@H]2CN)cc1	841651840	BHZCPYWJRMHTQB-HNNXBMFYSA-N	290.411	1.775	10	20	CDCD	
COc1ccc(CNC(=O)CC(C)(C)CC(=O)O)c(O)c1	911716542	AASSNLJQIURSSQ-UHFFFAOYSA-N	295.335	1.908	10	20	CDCD	
C[C@H](CC(=O)NCc1ccc(O)cc1O)n1cccn1	910944976	QWDWAQQNWSCBIK-SNVBAGLBSA-N	275.308	1.562	10	20	CDCD	
Nc1ccc(NC(=O)C(=O)N2C[C@H](C3CC3)[C@H]2C2CC2)cc1	841142127	KKAVKWVJUJGQLQ-HUUCEWRRSA-N	299.374	1.854	10	20	CDCD	
COCCNC(=S)NCc1ccc(N2CC=CC2)cc1	740630633	MCOIHPZPXIBXNK-UHFFFAOYSA-N	291.420	1.673	10	20	CDCD	
CO[C@@H]1CCN(C(=O)NCCc2ccc(N)cc2)C[C@H]1C	841956271	ZZZJFFJETKWYJQ-IUODEOHRSA-N	291.395	1.878	10	20	CDCD	
CCc1cccc(CN2CCC(NC(=O)NC)CC2)c1O	848918343	WQORLHIXBXVJAT-UHFFFAOYSA-N	291.395	1.848	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2[nH]c(O)nc2C)c1	847589662	LASKGNDHTGGCIT-SSDOTTSWSA-N	291.307	1.629	10	20	CDCD	
O=C(NCCCSc1nccs1)N[C@H]1[C@@H]2CNC[C@@H]21	841857466	ORDPWEFUDCXADY-MYJAWHEDSA-N	298.437	1.142	10	20	CDCD	
CC[C@@H](NCc1cc(F)c(N(C)C)cc1F)C(=O)NC	858175952	YJCZWPHGONWOKS-GFCCVEGCSA-N	285.338	1.645	10	20	CDCD	
O=[N+]([O-])c1ccc(O)c(CNC[C@H]2C[C@@H](O)C2)c1	858296779	URYJLTQBYUYCAU-DKTWLAJQSA-N	252.270	1.161	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@H](CCO)C2CC2)c1	756739418	NIQHRUWJZGHJDX-IINYFYTJSA-N	293.363	1.990	10	20	CDCD	
O=C(NCc1cc(Cl)ccc1O)c1cncnc1	857548858	XXVHOTHNSIPDGW-UHFFFAOYSA-N	263.684	1.766	10	20	CDCD	
N[C@]12CCC[C@@H]1CN(Cc1cc3c(cc1O)OCO3)C2	857226387	MTYLEFNJZAVLRM-ABAIWWIYSA-N	276.336	1.434	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CCO[C@@H]1CN	852870214	BQQQJSIUTUIQMW-LSDHHAIUSA-N	291.395	1.041	10	20	CDCD	
C[C@H](NCCN1CC[C@@H](O)C1)c1ccccc1O	858548858	PWXHGOJUQSKOBQ-NWDGAFQWSA-N	250.342	1.109	10	20	CDCD	
Cc1cnc2c(c1)N(C(=O)/C=C\c1cnn(C)c1)CCO2	761885947	FXRTZLZBTQGXMP-ARJAWSKDSA-N	284.319	1.562	10	20	CDCD	
CN(C)[C@@H]1CCCN(Cc2cc3c(cc2O)OC[C@@H]3O)C1	768447059	QRCNXUNZDWQDFV-DOMZBBRYSA-N	292.379	1.344	10	20	CDCD	
COc1cccc(O)c1CN(CCO)CC1CC1	769110155	ARNSJKXCSBYFEK-UHFFFAOYSA-N	251.326	1.605	10	20	CDCD	
C[C@@H]1C[C@H](C(=O)NCc2ccc(O)c(O)c2)CCC1=O	778919619	HFZIOJDSGMKYPK-MWLCHTKSSA-N	277.320	1.719	10	20	CDCD	
Cc1ccc(CN2CCC(N(C)CCCO)CC2)c(O)c1	876736427	LADUERHMDFICAD-UHFFFAOYSA-N	292.423	1.979	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNC[C@H]2CCCO2)c1O	774942572	MZFWOQFMPNUKMX-SNVBAGLBSA-N	282.296	1.578	10	20	CDCD	
C[C@H](NC[C@@]1(C)CCC(=O)N1)c1c(O)cccc1F	886623652	JVAMENPPAOZSHF-LKFCYVNXSA-N	266.316	1.851	10	20	CDCD	
C[C@H]1C[C@H](NCc2nnn(C)n2)c2c(O)ccc(F)c21	787031560	OBDUHYWZTJIEHI-CBAPKCEASA-N	277.303	1.393	10	20	CDCD	
CCOC(=O)[C@H](C)N(C)C(=O)c1ccc(C)c(O)c1O	780936149	BXVHASKORCWLTG-VIFPVBQESA-N	281.308	1.430	10	20	CDCD	
COc1cc(C)cc(CN[C@H](C)c2ncnn2C)c1O	894540705	LTEFFKLJXUHRQW-SNVBAGLBSA-N	276.340	1.689	10	20	CDCD	
C[C@H]1CN(Cc2ccc(N3CCN(C)CC3)cc2)C[C@H]1O	897681158	PSEQVDCADKMKKR-WMLDXEAASA-N	289.423	1.251	10	20	CDCD	
COC(=O)N1CC(C)(NCc2cc(C)cc(OC)c2O)C1	894540095	BVXQECZPCWJEBB-UHFFFAOYSA-N	294.351	1.640	10	20	CDCD	
COc1cc(C)cc(CNCCn2ccnc2)c1O	894147262	JFFASWSRXRRROZ-UHFFFAOYSA-N	261.325	1.696	10	20	CDCD	
Cc1noc(C)c1S(=O)(=O)N(C)Cc1ccccc1O	269761207	CULFJKNGFGJKQV-UHFFFAOYSA-N	296.348	1.818	10	20	CDCD	
COc1ccc(CNC(=O)CN2[C@@H](C)CC[C@H]2C)c(O)c1	794391066	UDGQBFWWLXPFDH-TXEJJXNPSA-N	292.379	1.890	10	20	CDCD	
COc1ccc(N2CCN(C[C@H](C)O)CC2)cc1F	192740698	BWXNPDBVMXUWKU-NSHDSACASA-N	268.332	1.337	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@H]1CCCCN1C	731872203	YHWRJDACTZZUGM-CYBMUJFWSA-N	262.353	1.835	10	20	CDCD	
C[C@H](C(=O)N(C)Cc1ccccc1O)n1cncn1	80133661	OYMVSXYHBCVUJJ-SNVBAGLBSA-N	260.297	1.203	10	20	CDCD	
C[C@@H]1O[C@H](C)[C@H](C(=O)NCc2ccc(N)cc2)[C@@H]1C	87206448	QWNOPGFWQYOVKY-FBKDDSFISA-N	262.353	1.945	10	20	CDCD	
C[C@@H](N[C@@H]1CCN(C)C1=O)c1ccc(N(C)C)cc1	90074940	ODLXTGBPYOOFBQ-BXUZGUMPSA-N	261.369	1.634	10	20	CDCD	
C[C@@H](N[C@@H]1CCCCNC1=O)c1cc(F)ccc1O	94617262	NPTJOIUWQJREFA-BXKDBHETSA-N	266.316	1.851	10	20	CDCD	
CCOc1cccc(CNCc2ncnn2CC)c1O	793345950	KQFIWWFHPUCSBO-UHFFFAOYSA-N	276.340	1.692	10	20	CDCD	
O=C(O)CC1(CNCc2cc([N+](=O)[O-])ccc2O)CC1	1328478068	LMNSDLKPWDOMQJ-UHFFFAOYSA-N	280.280	1.645	10	20	CDCD	
CC(C)C[C@@H]1CN(C)CCN1C(=O)Cc1ccc(N)cc1	1355270732	WMXPXNZMKUKBMQ-MRXNPFEDSA-N	289.423	2.000	10	20	CDCD	
O=C(NCc1cccc(O)c1O)[C@H]1CC[C@@H]2CCCCN21	1521852533	WXYGCXZQSRJSOG-QWHCGFSZSA-N	290.363	1.731	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)NCCC(=O)O)c1	1610981405	FFJZXCSLZHBWHK-QMMMGPOBSA-N	267.281	1.304	10	20	CDCD	
CCOc1cccc(CN2CC[C@H](N)[C@@H](C)C2)c1O	227056311	JIUNNCYRRLJJGT-AAEUAGOBSA-N	264.369	1.960	10	20	CDCD	
COC(=O)c1cccc2c1CCN2C(=O)C1=CC[C@H](N)C1	1578877783	KSPDSMMKGIKIQH-NSHDSACASA-N	286.331	1.410	10	20	CDCD	
C[C@H](NC(=O)N1CCN[C@H]2C[C@@H]21)c1ccc(N(C)C)cc1	1576201749	YLXGMTNAYUEWIR-CQDKDKBSSA-N	288.395	1.569	10	20	CDCD	
COC[C@@H](CCO)N[C@H](C)c1cc(OC)ccc1O	230663293	SZIVGHUJBGDCRM-GHMZBOCLSA-N	269.341	1.449	10	20	CDCD	
COc1ccc(CNCc2cc(C(=O)O)co2)c(O)c1	1599573230	WVEUXRMLKFVICP-UHFFFAOYSA-N	277.276	1.982	10	20	CDCD	
CN(C)c1ccc(CN2CCN(CCO)CC2)cc1F	154558621	ZBOHUKDNNUYTGK-UHFFFAOYSA-N	281.375	1.002	10	20	CDCD	
CCc1cccc(CN[C@H](C)CCS(C)(=O)=O)c1O	848898722	GMQHWLVFYBVPTK-LLVKDONJSA-N	285.409	1.867	10	20	CDCD	
Cc1cccc(CN(C)[C@H]2CCC(=O)N(C)C2)c1O	862427765	GDRGWQLAPSGYGZ-ZDUSSCGKSA-N	262.353	1.753	10	20	CDCD	
Cc1ccc(CNC(C)(C)CN2CCOCC2)c(O)c1	877588981	DRZOGZAAGRWWIH-UHFFFAOYSA-N	278.396	1.901	10	20	CDCD	
COc1cc(N2CC[C@@H](O)C2)c([N+](=O)[O-])cc1OC	161836182	AAJOBMGQPMBACH-MRVPVSSYSA-N	268.269	1.183	10	20	CDCD	
CCOc1cccc(CNC[C@H]2COCCO2)c1O	38060365	FUSRDMSRHMCVSC-LBPRGKRZSA-N	267.325	1.296	10	20	CDCD	
CN(C)c1ccc(CNCCCN(C)S(C)(=O)=O)cc1	709596253	MMGBRSXTTWCPQP-UHFFFAOYSA-N	299.440	1.124	10	20	CDCD	
C[C@H](CC[S@@](C)=O)NCc1cc(F)cc(F)c1O	708466935	VOSGIYJJWRXMTA-NTCNTBNZSA-N	277.336	1.917	10	20	CDCD	
Oc1cccc(Cl)c1CN1CCN([C@@H]2CCNC2)CC1	380222907	JPRQCSCOERBGMC-GFCCVEGCSA-N	295.814	1.525	10	20	CDCD	
COCCNC(=O)NCc1ccc(N(C)C)c(F)c1	58483023	YSFOJDGZHWWYFP-UHFFFAOYSA-N	269.320	1.337	10	20	CDCD	
COC[C@@H]1CN(Cc2cc(C)cc(C)c2O)CCO1	178894319	IWMYNRGFRUOXME-AWEZNQCLSA-N	265.353	1.856	10	20	CDCD	
C[C@@H]1CS(=O)(=O)CCN1Cc1cc(Cl)ccc1O	179771711	QVTRVTKOXVDAQM-SECBINFHSA-N	289.784	1.665	10	20	CDCD	
COc1ccc(N2CCN(c3cncc(C#N)n3)CC2)cc1	401349815	WYKFWYPDBDSBJJ-UHFFFAOYSA-N	295.346	1.683	10	20	CDCD	
CC[C@@H](NCCS(C)(=O)=O)c1ccccc1O	37740458	NUWYVWYBPPOXDL-LLVKDONJSA-N	257.355	1.478	10	20	CDCD	
Cc1ccc(C(=O)N[C@H](CO)C(C)C)c(O)c1O	182966258	NTIOFWMLOYKKEZ-SNVBAGLBSA-N	253.298	1.153	10	20	CDCD	
Cc1ccc(O)c(CN2CC[C@H](CS(C)(=O)=O)C2)c1	366487666	GMLZULUWIJODOC-LBPRGKRZSA-N	283.393	1.567	10	20	CDCD	
Cc1ccc(C(=O)N2CC(=O)N(CC3CC3)C2)c(O)c1O	279315569	CCPABAQZHVOWQS-UHFFFAOYSA-N	290.319	1.058	10	20	CDCD	
OC[C@H](CNCc1cccc(Cl)c1O)[C@@H]1CCOC1	280793319	HQNPIQHTYVEJLB-NEPJUHHUSA-N	285.771	1.780	10	20	CDCD	
CC(=O)C(=O)COC(=O)COc1cccc(Cl)c1	808485498	RERAFQHOTCRYDY-UHFFFAOYSA-N	270.668	1.420	10	20	CDCD	
COc1ccc(O)c(CN2C[C@@H](CO)OC(C)(C)C2)c1	817413286	VQFAJRHUKWGVMO-ZDUSSCGKSA-N	281.352	1.373	10	20	CDCD	
CN(C)c1ccc(CNC(=O)C2(C(N)=O)CCC2)cc1	729257372	GGNWCKOPDDNHDG-UHFFFAOYSA-N	275.352	1.024	10	20	CDCD	
COc1cccc(CNC(=O)NC[C@H](C)OC)c1O	821465087	XVKVSECLEUMNSN-VIFPVBQESA-N	268.313	1.235	10	20	CDCD	
COC[C@@H]1COCCN1Cc1cc(OC)c(OC)cc1O	902557780	AMMIBLBTYIHSOB-GFCCVEGCSA-N	297.351	1.257	10	20	CDCD	
COc1cc2c(c(OC)c1)N(CC1OCCO1)CCC2	839656069	FLJHSYDXJJSERL-UHFFFAOYSA-N	279.336	1.829	10	20	CDCD	
CC[C@@H](O)[C@H](C)C(=O)NCc1ccc(OC)cc1O	907925298	FSMIAUSQAJRSLU-JOYOIKCWSA-N	267.325	1.424	10	20	CDCD	
COC1CN(C(=O)c2cc(C)n(-c3ccccn3)c2C)C1	733967758	MFIXWECNMPPFRN-UHFFFAOYSA-N	285.347	1.960	10	20	CDCD	
CC[C@@H](C)OCC(=O)NCc1ccc(O)cc1O	910949813	QHIGMXUSHIJVIW-SECBINFHSA-N	253.298	1.529	10	20	CDCD	
CNCCC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1	831748490	DIHDETDMSBMOBW-CYBMUJFWSA-N	291.395	1.247	10	20	CDCD	
CCNC(=O)CN(CC)Cc1cc(C)cc(OC)c1O	917068044	LWAHIKFDLJVDQT-UHFFFAOYSA-N	280.368	1.667	10	20	CDCD	
CN(C)c1ccc([C@H](N)CNC(=O)[C@@]2(C)CC2(F)F)cc1	832267334	QPFBSWQRKSSFMP-TZMCWYRMSA-N	297.349	1.914	10	20	CDCD	
CCO[C@H](C)C(=O)N(CC(=O)O)Cc1ccccc1O	911486155	MPONKOHRSYEFMS-SNVBAGLBSA-N	281.308	1.230	10	20	CDCD	
Cn1nc(C2CC2)nc1CC(=O)NCc1ccc(N)cc1	843255576	ASLQDXLLSFNHGD-UHFFFAOYSA-N	285.351	1.134	10	20	CDCD	
COc1cccc([C@@H](C)NCCS(C)(=O)=O)c1O	846141520	KXDSYORTIKHKPP-SECBINFHSA-N	273.354	1.096	10	20	CDCD	
CC1(C)CCN(C(=O)C(=O)Nc2ccc(N)cc2)CC1	841028123	AQPAIJYGMXMFFU-UHFFFAOYSA-N	275.352	1.856	10	20	CDCD	
O=C(CCn1cncn1)NCc1cc(Cl)ccc1O	846479288	JVJVZYJJZOFJJL-UHFFFAOYSA-N	280.715	1.344	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)[C@H]1CCCN1C1CC1	910946933	WDRLSBYARYFLLA-CYBMUJFWSA-N	276.336	1.341	10	20	CDCD	
CCN(C)c1ccc(Cn2cnc(C(=O)OC)n2)cc1	747809665	ZUMSKIKHNWUEJE-UHFFFAOYSA-N	274.324	1.569	10	20	CDCD	
C[C@H](c1nnnn1C)N1CCCc2cc(CN)ccc21	843350116	JGZRMVJOYRJZAE-SNVBAGLBSA-N	272.356	1.183	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1CC[C@H](NC(N)=O)C1	840921490	TYUKZIJDFNYRGR-ZDUSSCGKSA-N	276.384	1.304	10	20	CDCD	
COc1ccc(N(C)CCN(C)C(=O)[C@@H](C)OC)cc1	844854074	NISLNIAQIZVSOB-GFCCVEGCSA-N	280.368	1.625	10	20	CDCD	
COc1cccc([C@@H](C)NC[C@@H]2CCCNC2=O)c1O	846170043	VDJXIBUASCTJOY-MNOVXSKESA-N	278.352	1.578	10	20	CDCD	
C[C@H](CNCc1cc2c(cc1O)OCO2)N(C)C	42880320	NIDKRABQYIHSGU-SECBINFHSA-N	252.314	1.161	10	20	CDCD	
C[C@H](NC(=O)N(C)[C@H](C)C(=O)O)c1ccc(N(C)C)cc1	929041937	CJFXOIJMTMUXHL-WDEREUQCSA-N	293.367	1.928	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@@H](C)C(C)(C)O)c1	756816812	AMMHASKZAHVPDJ-UWVGGRQHSA-N	281.352	1.989	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@H](CO)CC2CC2)c1	756770263	VNAAYWAJVUGTDC-GWCFXTLKSA-N	293.363	1.990	10	20	CDCD	
CCS(=O)(=O)C[C@H](C)NCc1ccc(N)cc1	1356083690	XYKFWAWHJRKRRG-JTQLQIEISA-N	256.371	1.182	10	20	CDCD	
CNC(=O)C[C@H](C)NCc1ccc(N(C)C)cc1C	766028882	IEVGOVGDXFMHPI-LBPRGKRZSA-N	263.385	1.675	10	20	CDCD	
CN[C@@H]1CCCN(Cc2cccc(OC)c2O)C1	53201223	MRUVUIZTYQYCSU-GFCCVEGCSA-N	250.342	1.585	10	20	CDCD	
C[C@@H](NC(=O)N[C@H](CO)C1CC1)c1ccc(N(C)C)cc1	773621620	CVBKSMCZTVWXAU-IAQYHMDHSA-N	291.395	1.884	10	20	CDCD	
CCC[C@H]1C(=O)NCCN1Cc1c(C)cccc1O	876782126	OXNPYBKAUNZWFY-ZDUSSCGKSA-N	262.353	1.801	10	20	CDCD	
C[C@@H](N[C@@H]1CCOC[C@H]1O)c1ccc(F)cc1O	872141129	NCFHYKZFMMUPNS-XTWCZFFVSA-N	255.289	1.332	10	20	CDCD	
CC[C@@H]1C(=O)N(CC)CCN1Cc1cc(OC)ccc1O	779215178	JZADRMFILZRBJN-CQSZACIVSA-N	292.379	1.844	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](C)C(=O)O	780578758	XYJBFEQVTSDLTK-SNVBAGLBSA-N	279.340	1.333	10	20	CDCD	
C[C@H](NCC1(S(C)(=O)=O)CC1)c1c(O)cccc1F	886605423	QDKLBIICEBJBGA-VIFPVBQESA-N	287.356	1.759	10	20	CDCD	
C[C@@H](NCCC(=O)N(C)C)c1ccc(F)cc1O	62747687	LQMZUWGENIVYOT-SECBINFHSA-N	254.305	1.660	10	20	CDCD	
COc1ccc(CN2CC[C@@H](CC(N)=O)C2)c(O)c1OC	894519518	LIDAHXXDLRPLIB-JTQLQIEISA-N	294.351	1.107	10	20	CDCD	
COc1ccc(CN2C[C@@H]3CCCN[C@@H]3C2)c(O)c1OC	892058819	JBTDJADQKUGEJH-WCQYABFASA-N	292.379	1.593	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N2C[C@H]3C[C@@]3(CO)C2)cc1	782920060	YPTGSUWUDZPCBV-CJNGLKHVSA-N	289.379	1.276	10	20	CDCD	
CN(CC(=O)NC[C@@H]1CCCO1)c1ccc(N)cc1	702105472	ZRUWPACZECIZPN-ZDUSSCGKSA-N	263.341	1.000	10	20	CDCD	
COc1ccc(CNC(=O)c2cc(C)nn2C)c(O)c1	794378962	HUAFSRMBOMZNOS-UHFFFAOYSA-N	275.308	1.373	10	20	CDCD	
C[C@@H](CNCc1c(O)ccc(Cl)c1F)S(C)(=O)=O	790982701	HCAHLCYOVNMPIB-ZETCQYMHSA-N	295.763	1.707	10	20	CDCD	
COc1cc(O)c(CN[C@H](C)c2nc(C)no2)cc1OC	792176845	OROHJSKOJFDZPE-MRVPVSSYSA-N	293.323	1.952	10	20	CDCD	
COC1(C(=O)N[C@H](C)c2ccccc2O)CCNCC1	877256528	YMMAVAKHTPTAMH-LLVKDONJSA-N	278.352	1.338	10	20	CDCD	
COc1cc(Cl)cc(CN[C@@H](CO)C2CC2)c1O	761205458	DUBRPZHXGJALDH-NSHDSACASA-N	271.744	1.915	10	20	CDCD	
C[C@H](NC(=O)CO[C@@H]1CCOC1)c1ccc(N(C)C)cc1	1321419491	HJCZTMGDNYJAKP-SWLSCSKDSA-N	292.379	1.735	10	20	CDCD	
CCN1CCC[C@H](CNC(=O)Cc2ccc(N)cc2)C1	1332156020	DPXWHSAUTXGLFX-CQSZACIVSA-N	275.396	1.659	10	20	CDCD	
NC1(CNC(=O)NCc2ccc(N3CCCC3)cc2)CC1	1262562823	MWYJOJSVMLNXMW-UHFFFAOYSA-N	288.395	1.577	10	20	CDCD	
CC[C@H]1CO[C@@H](C)CN1C(=O)NCc1ccc(N)cc1	1262604599	XPYNMZDFRLAOAA-FZMZJTMJSA-N	277.368	1.978	10	20	CDCD	
C[C@H](NCC(C)(C)C(N)=O)c1cc(C(=O)O)ccc1O	1609774503	VSXRDBKKLCSMJQ-QMMMGPOBSA-N	280.324	1.253	10	20	CDCD	
Cc1nnc(CSc2ncc(C(=O)O)s2)o1	1608016998	ZENIBNKEWPYEJJ-UHFFFAOYSA-N	257.296	1.825	10	20	CDCD	
O=C(N[C@@H](CC(F)(F)F)C(=O)O)c1cc(O)cs1	1601407730	ZOZUNFDCYOPMJR-YFKPBYRVSA-N	283.227	1.589	10	20	CDCD	
C[C@H](NCC(C)(C)OCCO)c1cc(C(=O)O)ccc1O	1604333477	WHOCVPOIXXGBSA-JTQLQIEISA-N	297.351	1.529	10	20	CDCD	
CN1CCC(CNCc2cc(F)ccc2O)CC1	226607494	VCVAXQZCJQMVJY-UHFFFAOYSA-N	252.333	1.963	10	20	CDCD	
COc1ccc(O)c(CN2CCC(OC3CNC3)CC2)c1	1579230625	SZALQWKECPRQSW-UHFFFAOYSA-N	292.379	1.354	10	20	CDCD	
CN(C)c1ccc(CN2CCC[C@@H](O)[C@H]2C(=O)O)cc1F	1598317157	ABAPUUFBJSUVPX-KGLIPLIRSA-N	296.342	1.302	10	20	CDCD	
COc1ccc(O)c(CNCCc2ccn(C)n2)c1	230943483	MWXSDXCTYSYGMK-UHFFFAOYSA-N	261.325	1.467	10	20	CDCD	
CO[C@H](CNCc1cc(F)c(N(C)C)cc1F)C(=O)O	1777147619	FEGIGODTQHUOCA-GFCCVEGCSA-N	288.294	1.220	10	20	CDCD	
CCN(C)c1ccc(CN[C@@H](CCO)C(=O)O)c(C)c1	1776856238	XKPKNGJIRAKJQE-AWEZNQCLSA-N	280.368	1.376	10	20	CDCD	
COc1ccc(O)c([C@@H](C)N[C@H](C)CC(N)=O)c1	168829090	GVEGHMYVEIYNDE-RKDXNWHRSA-N	252.314	1.315	10	20	CDCD	
Nc1ccc(CCNC(=O)C23CCCN2CCC3)cc1	1118143615	BLTUSRGYTVVJNE-UHFFFAOYSA-N	273.380	1.556	10	20	CDCD	
CNC[C@H]1CCCN1Cc1c(O)cccc1OC	843055198	GPTUNXRHVAPJER-LLVKDONJSA-N	250.342	1.585	10	20	CDCD	
Cc1ccc(CN[C@@H](C)C(=O)NC(C)C)c(O)c1	877592228	MKKSNBBUSINWFH-NSHDSACASA-N	250.342	1.703	10	20	CDCD	
Cc1ccc([C@H](C)NCC(=O)NC(C)C)c(O)c1	36781430	FGQWKQXTMMGAMW-NSHDSACASA-N	250.342	1.876	10	20	CDCD	
CCNC(=O)CCN[C@H](C)c1cc(OC)ccc1O	135728400	RQCBSMQTWHHYPF-SNVBAGLBSA-N	266.341	1.578	10	20	CDCD	
C[S@](=O)C1(CNCc2cc(F)ccc2O)CC1	281724903	ITVLHBFIXMFFKL-KRWDZBQOSA-N	257.330	1.532	10	20	CDCD	
CCOC(=O)N1CCN(Cc2cccc(C)c2O)CC1	183465753	YUGFKAARXKSSPL-UHFFFAOYSA-N	278.352	1.975	10	20	CDCD	
C[C@@H](NC(=O)c1cccc(O)c1O)C1CCOCC1	193135061	SGPIDMVQZJLRJR-SECBINFHSA-N	265.309	1.643	10	20	CDCD	
NCc1ccc2c(c1)CCCN2CCN1CCOC1=O	700949472	ZKAYANZXYYAUJP-UHFFFAOYSA-N	275.352	1.350	10	20	CDCD	
O=C(NCc1ccccc1O)[C@H]1CCC[C@@H](C(=O)O)C1	380355644	GRHQJYCUOSROQO-WDEREUQCSA-N	277.320	1.899	10	20	CDCD	
COc1cccc(O)c1CN[C@@H]1CCC[C@@H]1CO	825182842	BTJYOSHNCIAGMO-ZYHUDNBSSA-N	251.326	1.651	10	20	CDCD	
COc1cc(C)cc(CN(C)CC(=O)NC(C)C)c1O	111952083	HJPJRQFCYNFYRZ-UHFFFAOYSA-N	280.368	1.666	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N2CCC[C@]2(C)CO)cc1	125001336	NOVSZLMZWIHFGS-MRXNPFEDSA-N	291.395	1.809	10	20	CDCD	
CN(CC(=O)N1CCCC1)c1ccc2c(c1)OCO2	121361647	FARWZAFHDGUOQL-UHFFFAOYSA-N	262.309	1.474	10	20	CDCD	
Cc1ccc(C)n1-c1ccsc1C(=O)NOCC(N)=O	180364376	GCPINJZUOLLYOL-UHFFFAOYSA-N	293.348	1.302	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NCc1ccncc1	180584505	HZNJMJXOHFRFLN-DUXPYHPUSA-N	270.288	1.822	10	20	CDCD	
CC(C)(O)CN1CCN(Cc2cc(Cl)ccc2O)CC1	129974180	LWRCRPNVGIYMIC-UHFFFAOYSA-N	298.814	1.934	10	20	CDCD	
COc1cc(O)c(CNC[C@](C)(O)C(C)C)cc1OC	182222170	DJGZQUCZCBGJKG-HNNXBMFYSA-N	283.368	1.906	10	20	CDCD	
CC[C@]1(CO)CCCN1Cc1cc2c(cc1O)OCO2	191958421	DCGHWNDLZBSEBC-OAHLLOKOSA-N	279.336	1.858	10	20	CDCD	
Oc1ccc(F)cc1CN1C[C@@H]2CCCN[C@@H]2C1	226565317	PYGYLXRUJFHHSE-GXFFZTMASA-N	250.317	1.715	10	20	CDCD	
Cc1nnsc1C(=O)NCc1ccc(N(C)C)c(F)c1	190494155	BRXQVRXJYCTCPH-UHFFFAOYSA-N	294.355	1.982	10	20	CDCD	
CO[C@H](C)CC(=O)NCc1ccc(N(C)C)cc1	195353620	FRXDXNBKNKKTCR-LLVKDONJSA-N	250.342	1.794	10	20	CDCD	
CN(C)c1ccc(CN[C@@H]2[C@H]3C[C@@H]4CN[C@@H]2[C@H]4C3)cc1	381306122	OITSLYAJKJYMNF-GMBUGEKQSA-N	271.408	1.839	10	20	CDCD	
CCN(Cc1cc(Br)ccc1O)C1CNC1	220803295	KPXBYKHNGOMQAE-UHFFFAOYSA-N	285.185	1.948	10	20	CDCD	
CCc1nn(C)cc1C(=O)NCc1cccc(OC)c1O	92515921	AZYJSNDOYJVQNF-UHFFFAOYSA-N	289.335	1.627	10	20	CDCD	
Nc1ccc(NC(=O)CCCNC(=O)C2CC2)cc1	238134592	FBDICOBKAGOVQZ-UHFFFAOYSA-N	261.325	1.514	10	20	CDCD	
COC(=O)[C@]1(C)CCN(Cc2cc3c(cc2O)OCO3)C1	268499910	XBVNUUOFCHGBTM-OAHLLOKOSA-N	293.319	1.506	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2CC[C@@H](CO)C2)c1O	278245131	OOVGMOQJANGFHY-SECBINFHSA-N	282.296	1.123	10	20	CDCD	
COc1ccc(CNC(=O)[C@H]2CC23CCOCC3)c(O)c1	373665376	HOLGEJATUMJLRA-CYBMUJFWSA-N	291.347	1.834	10	20	CDCD	
CCOc1ccc(O)c(CN2CCN3C(=O)OC[C@H]3C2)c1	371338122	YRQSFDFBFBCNSZ-GFCCVEGCSA-N	292.335	1.427	10	20	CDCD	
CN(Cc1c(O)cccc1Cl)[C@@H]1COC[C@H]1O	289275219	GQJUQWVVFZKOQG-ZYHUDNBSSA-N	257.717	1.237	10	20	CDCD	
C[C@@H]1CN(C(=O)c2cccc(O)c2O)C[C@]2(CCOC2)O1	280507369	LGPDCMZXNLMZME-BMIGLBTASA-N	293.319	1.118	10	20	CDCD	
COc1ccc(N2CCN(Cc3cnn(C)n3)CC2)cc1	809931355	JCTQZZJTELIOMW-UHFFFAOYSA-N	287.367	1.146	10	20	CDCD	
CC(=O)C(=O)COC(=O)c1ccccc1OC(F)F	808491424	YTKSKZVIXHFCNL-UHFFFAOYSA-N	272.203	1.603	10	20	CDCD	
CN(C[C@H]1CCCN1C)C(=O)c1cc(O)cs1	817770159	GFWDXNAZUSWXHN-SECBINFHSA-N	254.355	1.620	10	20	CDCD	
COC[C@H](O)CNc1ccccc1OCC(F)F	819460675	UZQQLDOWDIJARO-SECBINFHSA-N	261.268	1.750	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NCC2(CC(N)=O)CC2)c1	817410804	HLKYIDNEZJMXDQ-SNVBAGLBSA-N	278.352	1.707	10	20	CDCD	
CCOc1ccc(CN2C[C@H]3[C@@H](C2)[C@@H]3C(=O)OC)c(O)c1	814173281	MDVRQUWMKSVXAE-NHAGDIPZSA-N	291.347	1.642	10	20	CDCD	
C[C@@H](NC(=O)[C@H](O)C(C)(C)C)c1ccccc1O	827940628	GLHLOIAHCPWTAO-SKDRFNHKSA-N	251.326	1.976	10	20	CDCD	
CCCN(CC(=O)NC)C(=O)c1cc(O)cs1	732275852	PRTARWQRPXQNBO-UHFFFAOYSA-N	256.327	1.052	10	20	CDCD	
CCO[C@H]1C[C@@H](NC(=O)NCc2cc(OC)ccc2O)C1	838474060	DYQCWGVHJZHANI-BJHJDKERSA-N	294.351	1.768	10	20	CDCD	
CO[C@H]1CCC[C@@H]1CNC(=O)Cc1ccc(N)cc1	831517240	ADZIARCKGUJSMD-OCCSQVGLSA-N	262.353	1.743	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)NC[C@H]1CCN1C	919081003	HJTNSMHMBUKVDR-OAHLLOKOSA-N	290.411	1.564	10	20	CDCD	
CCOc1ccc(CNCCNCCOC)c(O)c1	841047532	DPLSDHCAYOKCIZ-UHFFFAOYSA-N	268.357	1.117	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)C1(C(=O)O)CCOCC1	911230249	IDUCJVOJCHFRBS-UHFFFAOYSA-N	293.319	1.232	10	20	CDCD	
COc1ccc(CNC(=O)C[C@@H]2CCC[C@H]2N)c(O)c1	846680847	DVYUNMIRMSLNQM-GXFFZTMASA-N	278.352	1.535	10	20	CDCD	
CC(=O)NCCN(C)Cc1cc(C(C)(C)C)cc(O)c1O	842632644	KGYXTBMMLWOKCC-UHFFFAOYSA-N	294.395	1.963	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1CCN(C)C(=O)[C@H]1C	840937056	FZRPFOAJUDBNIN-CYBMUJFWSA-N	275.396	1.724	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)NC2CCNCC2)c1	841915831	MNZVFWPIMMWUAV-JTQLQIEISA-N	293.367	1.513	10	20	CDCD	
COCCN(CC(C)C)C(=O)C(=O)Nc1ccc(N)cc1	841015689	GUKSPDMDXPXRSL-UHFFFAOYSA-N	293.367	1.338	10	20	CDCD	
CN[C@@H]1CCN(Cc2ccc(N(C)C)c(F)c2)C1	843044736	HBFSTDHLIDZSBL-GFCCVEGCSA-N	251.349	1.685	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)NCc2ncn(C)n2)c1	756779794	MAHQNTRLYYDFLU-VIFPVBQESA-N	290.323	1.158	10	20	CDCD	
O=C(NCc1cc(Cl)ccc1O)c1cc[nH]n1	857547365	ANLRCFIPWKBTSQ-UHFFFAOYSA-N	251.673	1.699	10	20	CDCD	
Cc1ccc(C(=O)N2C[C@H](C)[C@@](C)(CO)C2)c(O)c1O	856252691	ZUSNCHJZXJEYPG-ZUZCIYMTSA-N	279.336	1.497	10	20	CDCD	
CC[C@](C)(O)C(=O)N1CCOc2cc(N(C)C)ccc21	933815634	RFPSITNMQFFNFU-HNNXBMFYSA-N	278.352	1.639	10	20	CDCD	
C[C@@H]1OCCN(Cc2cc3c(cc2O)OC[C@H]3O)[C@H]1C	768463380	SHOBXWBXPMSRKO-PKFCDNJMSA-N	279.336	1.427	10	20	CDCD	
CCNC(=O)CN(C)Cc1cc(F)c(N(C)C)cc1F	862229044	NZMDOHHQJCHGAE-UHFFFAOYSA-N	285.338	1.599	10	20	CDCD	
COC(=O)[C@H](C)n1cc(COc2ccc(N)cc2)nn1	864644439	GEJAUABWHYYELK-VIFPVBQESA-N	276.296	1.173	10	20	CDCD	
O=C(NCCCSc1nccs1)[C@H]1CCCNC1=O	865785995	XKIVJLURVIDDAG-VIFPVBQESA-N	299.421	1.268	10	20	CDCD	
CCn1cnnc1CNC(=O)N[C@H](C)c1ccccc1O	864424976	SIHOVQDSFUIYLM-SNVBAGLBSA-N	289.339	1.564	10	20	CDCD	
CC[C@H](C(=O)NC[C@H](N)c1ccc(N(C)C)cc1)N(C)C	863584492	DPXSNVZSQDHZNO-LSDHHAIUSA-N	292.427	1.209	10	20	CDCD	
Cc1cccc(CN2CCC(NCCO)CC2)c1O	873215591	DMSHEGNAQFONOW-UHFFFAOYSA-N	264.369	1.247	10	20	CDCD	
Cn1ncnc1CNCCCSc1nccs1	877061618	NQENTTKZIKHZSV-UHFFFAOYSA-N	269.399	1.544	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NCc2cc(=O)c(O)co2)c1	775369937	JFOIXPLVRNNIRX-SECBINFHSA-N	291.303	1.910	10	20	CDCD	
COc1cc(O)c(CN2CCC3(C2)OCCO3)cc1OC	775679103	MYSAHLQBMUHJFE-UHFFFAOYSA-N	295.335	1.358	10	20	CDCD	
C[C@@H](N[C@@H]1CCCN(C)C1=O)c1c(O)cccc1F	886536728	NTFGLXDKZKTBGF-MWLCHTKSSA-N	266.316	1.803	10	20	CDCD	
CC[C@H](NC(=O)NCc1ccc(N)cc1)[C@@H](C)O	1120677316	NMOQNFZOJMRSLC-SKDRFNHKSA-N	251.330	1.227	10	20	CDCD	
C[C@H](NC(=O)NCCCON)c1ccc(N(C)C)cc1	1120529426	NOLHMYWWRVUVFW-NSHDSACASA-N	280.372	1.393	10	20	CDCD	
CO[C@H](CNC(=O)NCc1ccc(N)cc1)C1CC1	1120624488	PWFPTYUITFEQAQ-CYBMUJFWSA-N	263.341	1.493	10	20	CDCD	
COc1cc(C)cc(CNC[C@H]2COCCO2)c1O	894197638	ZZVZOPWZEYSJSE-LBPRGKRZSA-N	267.325	1.214	10	20	CDCD	
CCOc1ccc(CN[C@H]2C(=O)NCC2(C)C)c(O)c1	895317885	QBHALQSAJWOMTL-ZDUSSCGKSA-N	278.352	1.405	10	20	CDCD	
COc1cc(C)cc(CN2CC[S@@](=O)C[C@@H](C)C2)c1O	894565845	HHIDJBNOJJJGBY-FKIZINRSSA-N	297.420	1.910	10	20	CDCD	
COC(=O)[C@@H]1[C@H]2CN(Cc3cc(C)c(C)cc3O)C[C@H]21	793656321	SGLODACEJHAFOD-NHAGDIPZSA-N	275.348	1.860	10	20	CDCD	
CN1CC[C@H](N(C)Cc2c(O)ccc(Cl)c2F)C1=O	792166943	WAJGOIQQKFDAIO-JTQLQIEISA-N	286.734	1.847	10	20	CDCD	
CCOc1cc(O)ccc1NS(=O)(=O)c1cnc[nH]1	790410882	FBRAIOIZOBIXHZ-UHFFFAOYSA-N	283.309	1.315	10	20	CDCD	
Cc1ccc(O)c(CNCCCCS(C)(=O)=O)c1	692802205	GQGYLJBJDKLCGY-UHFFFAOYSA-N	271.382	1.615	10	20	CDCD	
C[C@@H](NC[C@@H](C)S(C)(=O)=O)c1ccc(N(C)C)cc1	697603385	HVSOZVQCFFEXRG-VXGBXAGGSA-N	284.425	1.836	10	20	CDCD	
C[C@H](C(=O)NCc1ccc(O)c(O)c1)n1cccc1	1320025096	PLERMHFCSGYQQQ-SNVBAGLBSA-N	260.293	1.777	10	20	CDCD	
O=C(O)[C@H](F)CNCc1ccc2c(c1)CCCO2	1262383547	CELFRFMMWBFTDW-LLVKDONJSA-N	253.273	1.524	10	20	CDCD	
Nc1ccc(CNC(=O)NCCCn2ccnc2)cc1	1357648293	SWMWNHHMGZNOAV-UHFFFAOYSA-N	273.340	1.355	10	20	CDCD	
CN1CCN(c2ccc(CNC(=O)[C@@H]3C[C@@H]3F)cc2)CC1	1528572921	XHFSDOHSUYAZII-CABCVRRESA-N	291.370	1.413	10	20	CDCD	
O=C(O)[C@@H](C(=O)NCc1cc(O)ccc1O)C1CCCC1	1605898189	OQZJNBJOUWPICE-CYBMUJFWSA-N	293.319	1.605	10	20	CDCD	
Cc1ccc(C(=O)NCC(C)(C)C(=O)O)c(O)c1O	1600339040	KSRDWKVKHPFUHD-UHFFFAOYSA-N	267.281	1.247	10	20	CDCD	
CC1(C)N[C@H](CNCc2cccc(Cl)c2O)CO1	1576493227	MCWVRJXFLPYDKR-SNVBAGLBSA-N	270.760	1.860	10	20	CDCD	
Nc1ccc(CC(=O)N[C@@H](CO)c2cccnc2)cc1	1580443287	VPULHLYUSZDWCK-AWEZNQCLSA-N	271.320	1.056	10	20	CDCD	
CO[C@@H]1CN(Cc2ccc(N(C)C)cc2)[C@@](C)(C(=O)O)C1	1777172855	GWALMUZYXWAFBO-GOEBONIOSA-N	292.379	1.817	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2ccc[n+]([O-])c2)cc1	16498081	RXCIEAMXBNZACX-UHFFFAOYSA-N	271.320	1.316	10	20	CDCD	
C[C@H](NC(=O)C(C)(C)C)C(=O)NCc1ccc(O)c(O)c1	159082857	VJMLPNLYBOZKLS-VIFPVBQESA-N	294.351	1.265	10	20	CDCD	
CNC(=O)[C@H](C)CN(C)Cc1ccc(C)cc1O	876798689	LLBBFIHRRNYQOM-LLVKDONJSA-N	250.342	1.515	10	20	CDCD	
COc1ccc(O)c(CN[C@H](C)C(=O)NC(C)(C)C)c1	135761157	LLDBVFLQSDQUOB-SNVBAGLBSA-N	280.368	1.794	10	20	CDCD	
C[C@H]1OCC[C@@]1(O)CNCc1cc(F)cc(F)c1O	708535557	MOJWSPMWPJSNLE-AMIZOPFISA-N	273.279	1.300	10	20	CDCD	
O=C(O)c1coc(C(=O)NCc2ccccc2O)c1	1602550536	IGBBBWFRTFLIOW-UHFFFAOYSA-N	261.233	1.613	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2ccon2)c1	103529510	LTKDLOSRZILKMN-MRVPVSSYSA-N	262.265	1.880	10	20	CDCD	
CC(=O)NC[C@H]1CN(Cc2cc(C)c(C)cc2O)CCO1	172169633	AUNPQXQXXFLHDC-HNNXBMFYSA-N	292.379	1.346	10	20	CDCD	
CC(C)(C)NC(=O)c1cc(NS(C)(=O)=O)ccc1O	26479546	YUUKDPQTAYRLMH-UHFFFAOYSA-N	286.353	1.292	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)NCCCO)cc1	57424079	QONWNBDMYBMGDJ-UHFFFAOYSA-N	279.384	1.714	10	20	CDCD	
CN(Cc1ccc(N2CCOCC2)cc1)[C@H]1CCOC1=O	127215105	QURKTENFWNTHAW-HNNXBMFYSA-N	290.363	1.271	10	20	CDCD	
C[C@@H](N[C@H]1CCc2ncnn2C1)c1ccc(F)c(F)c1O	187776926	ROQQTUYGAALLRK-BDAKNGLRSA-N	294.305	1.928	10	20	CDCD	
OCC1(NCc2ccc(N3CCCC3)cc2)CCOCC1	227213488	BAIXFIIIOAEIJT-UHFFFAOYSA-N	290.407	1.918	10	20	CDCD	
CN(C)c1ccc([C@@H]2NC(=O)[C@@H]3CSCCN32)cc1F	270753086	CQXRZWXTTRICBM-QWHCGFSZSA-N	295.383	1.438	10	20	CDCD	
Nc1ccc(NC(=O)N2CC[C@@H]3OCC[C@@H]3C2)cc1	724833951	FTAGTCFGYJQTJL-MFKMUULPSA-N	261.325	1.912	10	20	CDCD	
Cc1ccc(O)c([C@@H](C)N[C@@H]2COCC[C@H]2O)c1	710868657	DBMZWPAVSLZWND-MPKXVKKWSA-N	251.326	1.501	10	20	CDCD	
O=C(CCc1cncnc1)NCc1ccc(O)c(O)c1	815836149	RWOHRBFUAMLSDB-UHFFFAOYSA-N	273.292	1.137	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)CCNC(C)C)c1	828667144	NEPWRLQHWWHYMP-LLVKDONJSA-N	280.368	1.966	10	20	CDCD	
C[C@@H]1NCC[C@@H]1C(=O)NCCCSc1nccs1	829528007	JBICZLLWQCTRDE-UWVGGRQHSA-N	285.438	1.740	10	20	CDCD	
CC(C)C[C@H](NC(=O)O)C(=O)NCc1ccc(O)c(O)c1	826800594	MEDOQJYFXQSPCH-JTQLQIEISA-N	296.323	1.396	10	20	CDCD	
COc1cccc(CN[C@@H](C)Cc2cnccn2)c1O	725849065	FXEJSGAQWPYDAR-NSHDSACASA-N	273.336	1.912	10	20	CDCD	
O=C(O)[C@H]1CCCN(Cc2cc3c(cc2O)OCO3)C1	739583571	UVABOJXNHIJFRV-VIFPVBQESA-N	279.292	1.418	10	20	CDCD	
CN(C)c1ccc(CNCC2(O)CCC2)cc1F	733327647	AGUJZDCSIZEFER-UHFFFAOYSA-N	252.333	1.896	10	20	CDCD	
CCn1[nH]c(C)nc1=NC(=O)c1cc(O)cs1	839901844	IVPMOVPLFCCITA-UHFFFAOYSA-N	252.299	1.048	10	20	CDCD	
C[C@@H]1C[C@H](O)CN(C(=O)/C=C\c2ccc(O)c(O)c2)C1	837174234	WWABGKBWNQCCAG-FTXDBJGXSA-N	277.320	1.340	10	20	CDCD	
CC(C)(CC(=O)O)NC(=O)/C=C/c1ccc(O)c(O)c1	833456539	ZUSVOISRZFKKOM-GQCTYLIASA-N	279.292	1.481	10	20	CDCD	
Nc1ccc(CC(=O)N[C@@H]2CCN(c3ccccn3)C2)cc1	831442901	ABPXACAWLVRKLP-OAHLLOKOSA-N	296.374	1.601	10	20	CDCD	
CC(C)[C@@H](O)C1(CNC(=O)Cc2ccc(N)cc2)CC1	831518119	MNGJUVAYUNSEOM-OAHLLOKOSA-N	276.380	1.725	10	20	CDCD	
NC[C@@H]1CCN(Cc2ccc(N3CCOCC3)c(F)c2)C1	843048531	FZHMDOACDZRPCK-AWEZNQCLSA-N	293.386	1.443	10	20	CDCD	
CN1C(=O)CN(C(=O)/C=C/c2cnn(C)c2)c2ccccc21	748575333	JKRWSPLCWXOAKF-BQYQJAHWSA-N	296.330	1.443	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)[C@]12CCC[C@H]1OCC2	910958309	YSRNCOCMHVFGQN-HIFRSBDPSA-N	277.320	1.673	10	20	CDCD	
CCCN1CC(=O)N[C@H]1c1cc(OC)c(OC)cc1O	840825167	UUWQQYVBEPHRBW-CQSZACIVSA-N	280.324	1.250	10	20	CDCD	
C[C@@H]1C[C@@H](NC(=O)NCc2ccc(N(C)C)cc2)CCN1	841653995	LIYNATBJXSIMLP-OCCSQVGLSA-N	290.411	1.692	10	20	CDCD	
CO[C@H](C)CCNC(=O)NCCc1ccc(N)cc1	841776675	OIIQEJCHJGHNQN-LLVKDONJSA-N	265.357	1.536	10	20	CDCD	
COC(=O)[C@H]1CNCCCN1Cc1cc(Cl)ccc1O	843124106	VEDKUIBFPXZEPK-GFCCVEGCSA-N	298.770	1.383	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN[C@@H]1CCCCNC1=O	840929659	ULMDZYVXIPCHNS-OAHLLOKOSA-N	275.396	1.819	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)NC[C@H](N)C2CC2)c1	841965923	LRYOZUPHXFRYQQ-ZANVPECISA-N	293.367	1.498	10	20	CDCD	
COc1cccc([C@H](C)NC[C@@]2(O)CCSC2)c1O	846144509	HIZQNLPZXRXDHC-HZMBPMFUSA-N	283.393	1.919	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)N[C@H]2COC[C@H]2C)c1	926029991	IWBNTBWIVJJPST-PWSUYJOCSA-N	264.325	1.535	10	20	CDCD	
Nc1ccc(CCN[C@@H]2[C@H]3C[C@@H]4CN[C@H]2[C@H]4C3)cc1	925690127	FEUUPGQEUXOCFD-FSNAAORZSA-N	257.381	1.397	10	20	CDCD	
CC(C)(C)c1cnc(Sc2nc(N)nc(N)n2)s1	858445977	SODXASVRBQCOGI-UHFFFAOYSA-N	282.398	1.941	10	20	CDCD	
CC[S@](C)(=O)=NC(=O)/C=C/c1ccc(O)c(O)c1	925833882	LJSZZWZJJCNUAY-FZMUQLTDSA-N	269.322	1.755	10	20	CDCD	
CC[C@H](CO)N[C@@H](C)c1cc(C(=O)OC)ccc1O	756342860	MJCYTCGXFHCQQG-GXSJLCMTSA-N	267.325	1.600	10	20	CDCD	
CN1C(=O)CC[C@H]1C(=O)NCCCSc1nccs1	752351332	RGEBBVYIUCVBOX-VIFPVBQESA-N	299.421	1.362	10	20	CDCD	
COc1ccc(O)c(CNC(=O)CCNC(C)(C)C)c1	934941984	HROCEUHVEOLNLN-UHFFFAOYSA-N	280.368	1.795	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H](NC=O)C(C)C)c1	860242405	QLELTPBQGJMGNM-HZMBPMFUSA-N	294.351	1.349	10	20	CDCD	
O=C(CCOC[C@H]1CCCO1)NCc1ccc(O)c(O)c1	768917529	MQCHTFBLPVMJJS-GFCCVEGCSA-N	295.335	1.300	10	20	CDCD	
C[C@H](CNCc1ccc(N2CCC(O)CC2)cc1)N(C)C	877150413	RFDFDTZSNJAZIM-CQSZACIVSA-N	291.439	1.687	10	20	CDCD	
CCOCC(=O)COC(=O)/C=C\c1ccc(O)c(O)c1	777064787	GDHQKYQFFXYETR-XQRVVYSFSA-N	280.276	1.260	10	20	CDCD	
Cc1ccc(CNCC(C)(C)N2CCN(C)CC2)c(O)c1	876923112	CYPICNJRFWNAEJ-UHFFFAOYSA-N	291.439	1.816	10	20	CDCD	
CCCN(C)S(=O)(=O)N[C@H](C)c1ccc(N(C)C)cc1	773089709	UOZVMEZCBXZRNQ-GFCCVEGCSA-N	299.440	1.990	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2C[C@H]3COC[C@H]3C2)c1O	872267225	URGYANGMEWXDCI-PHIMTYICSA-N	294.307	1.387	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CN2CCC(F)(F)C2)cc1	776610227	QWBKLZLTEICDRS-UHFFFAOYSA-N	297.349	1.710	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@@H]1CCOC1	773755571	DPBSBMUPQVXSAS-PWSUYJOCSA-N	279.336	1.572	10	20	CDCD	
COC(=O)CC1(NC(=O)c2ccc(C)c(O)c2O)CCC1	780962183	UWFWJLYTMGRLPK-UHFFFAOYSA-N	293.319	1.622	10	20	CDCD	
COc1cccc(O)c1CN1CC[C@H](O)C(C)(C)C1	783729487	NDZUSLPRMSRMTQ-AWEZNQCLSA-N	265.353	1.994	10	20	CDCD	
OCc1nnc(Sc2nccs2)n1C1CC1	893069423	SPZVTOZZCGBPLJ-UHFFFAOYSA-N	254.340	1.713	10	20	CDCD	
COc1ccc(CN2CCN(C)C(=O)[C@H]2C)c(O)c1OC	893713073	WVQSNTYROCXQMN-SNVBAGLBSA-N	294.351	1.072	10	20	CDCD	
C[C@H](C[S@](C)=O)NCc1ccc2c(c1)CCO2	168150096	FTBMVDZBDRUYNW-BMLIUANNSA-N	253.367	1.478	10	20	CDCD	
CCN(C)C(=O)[C@@H](C)N[C@H](C)c1ccccc1O	188496691	MAGZVHDHXFJZHC-GHMZBOCLSA-N	250.342	1.910	10	20	CDCD	
CCN(CC)CC(=O)NCc1ccc(OC)cc1O	794376591	GKQQMFZZHKTCKF-UHFFFAOYSA-N	266.341	1.359	10	20	CDCD	
CCOCCO[C@@H](C)C(=O)NCc1ccc(OC)cc1O	794377107	MHTJEQYMRYJEAM-NSHDSACASA-N	297.351	1.459	10	20	CDCD	
O=C(Cc1ncccc1F)NCc1ccc(O)c(O)c1	792238576	RLOFIXWGOFEOFP-UHFFFAOYSA-N	276.267	1.491	10	20	CDCD	
Cc1ccc(O)c(CNS(=O)(=O)c2cnc(C)s2)c1	1331574637	OHYSIGGHXZEDJX-UHFFFAOYSA-N	298.389	1.944	10	20	CDCD	
C[C@H](O)CN(C(=O)NCc1ccc(N)cc1)C1CC1	1338792422	FVZLTFKXWHJIHD-JTQLQIEISA-N	263.341	1.324	10	20	CDCD	
CO[C@@H](CNCc1cc(F)c(N(C)C)cc1F)C(=O)O	1332475637	FEGIGODTQHUOCA-LBPRGKRZSA-N	288.294	1.220	10	20	CDCD	
C[C@H]1OCC[C@@H]1C(=O)NCc1cccc(O)c1O	1352657263	BKECMSOSPQRRMN-SCZZXKLOSA-N	251.282	1.139	10	20	CDCD	
C[C@H](NCCNC(=O)C1CC1)c1cc(C(=O)O)ccc1O	1609778302	GWMRDKOOJHWNIM-VIFPVBQESA-N	292.335	1.267	10	20	CDCD	
O=C(O)c1cnc(SCCn2ccccc2=O)s1	1610862529	FHNQRJXFCPQUGD-UHFFFAOYSA-N	282.346	1.795	10	20	CDCD	
CCN(CCC(=O)O)Cc1cc(OC)c(OC)cc1O	1596314751	JHEJBVWCQGWYBN-UHFFFAOYSA-N	283.324	1.706	10	20	CDCD	
CC(C)NC(=O)[C@@H](C)N[C@H](C)c1cc(C(=O)O)ccc1O	1591640120	QEYIAKBDJSSQNP-NXEZZACHSA-N	294.351	1.654	10	20	CDCD	
NC(=O)[C@@H]1CCCN(Cc2c(O)cccc2Cl)C1	155017832	IOSQWAYBJNJSAV-SECBINFHSA-N	268.744	1.743	10	20	CDCD	
COc1cccc(O)c1CNC[C@@H]1CCCS(=O)(=O)C1	808426567	FMGANBWSVKNPBC-NSHDSACASA-N	299.392	1.315	10	20	CDCD	
Oc1ccc(Cl)cc1CN1CCN([C@H]2CCOC2)CC1	827120743	VKZBWJIIMUJVMZ-AWEZNQCLSA-N	296.798	1.952	10	20	CDCD	
C[C@H](NCc1cc(F)ccc1O)[C@H](O)C(F)(F)F	877693910	UEMUAJXNAAFXAF-WKEGUHRASA-N	267.222	1.933	10	20	CDCD	
CNS(=O)(=O)c1ccc(NCc2ccccc2O)cc1	37131565	WTWBEVQNQLKBDP-UHFFFAOYSA-N	292.360	1.912	10	20	CDCD	
COc1ccc(O)c([C@H](C)N[C@@H](C)c2ncn(C)n2)c1	275639451	CJIAPHCZCZWKNF-UWVGGRQHSA-N	276.340	1.941	10	20	CDCD	
CCc1cccc(CN2CCO[C@H](COC)C2)c1O	705848744	NGNXHSHXNJHAGV-AWEZNQCLSA-N	265.353	1.802	10	20	CDCD	
CCc1cccc(CNC[C@](C)(O)COC)c1O	691522470	LRNDCCGJGWJFMI-AWEZNQCLSA-N	253.342	1.442	10	20	CDCD	
CS(=O)(=O)CCCNCc1cc(Cl)ccc1O	38047255	VUGOCESRNLZETP-UHFFFAOYSA-N	277.773	1.570	10	20	CDCD	
CCO[C@H]1C[C@@H]1C(=O)NCc1cccc(OC)c1O	171487138	QWLFEIMBBAHBGQ-JQWIXIFHSA-N	265.309	1.442	10	20	CDCD	
CCCN(Cc1nc(N)nc(N)n1)Cc1ccccc1O	173282761	UFPJHBXJRWYTNZ-UHFFFAOYSA-N	288.355	1.154	10	20	CDCD	
CCCCCC[C@@H](C)NC=C1C(=O)NC(=S)NC1=O	78382736	QWVVJVILNKPUOK-SECBINFHSA-N	283.397	1.350	10	20	CDCD	
CCOc1cccc(CN(C)[C@@H](C)C(=O)O)c1O	86756660	SAWBRHKZPNIXDB-VIFPVBQESA-N	253.298	1.696	10	20	CDCD	
CN(C)c1noc(CNCc2ccc3c(c2)CCO3)n1	191895804	AFWCTTUNBUHGNU-UHFFFAOYSA-N	274.324	1.360	10	20	CDCD	
CCOc1cccc(CNC[C@@]2(O)CCSC2)c1O	176760287	KEJYSNSJFKSOQU-AWEZNQCLSA-N	283.393	1.749	10	20	CDCD	
CCN(C)c1ccc([C@H](C)NC[C@H](O)COC)cc1	268895043	KKCACAYBZCHPGX-WFASDCNBSA-N	266.385	1.801	10	20	CDCD	
COC(=O)[C@@H]1COCCN1Cc1cc(Cl)ccc1O	360079702	PPOIXOXWWKGYES-NSHDSACASA-N	285.727	1.419	10	20	CDCD	
C[C@@H]1CCCN(C(=O)C(=O)NCc2ccccc2O)C1	278426853	NPXMCMYNQUFVKY-LLVKDONJSA-N	276.336	1.267	10	20	CDCD	
CCOC1CC(O)(CNCc2cc([N+](=O)[O-])ccc2O)C1	277461479	BDVRQNCROOUDEH-UHFFFAOYSA-N	296.323	1.320	10	20	CDCD	
OCCOC1(CNCc2cc(F)ccc2O)CCOCC1	282433581	FKVSACJQULGSMY-UHFFFAOYSA-N	299.342	1.179	10	20	CDCD	
C[C@@H]1CN(Cc2cccc(Cl)c2O)CC(=O)N1	295137441	ZHJTYKLIRGQJHU-MRVPVSSYSA-N	254.717	1.366	10	20	CDCD	
CC(=O)C(=O)COC(=O)C(C)(C)Oc1ccc(F)cc1	808489426	QBURCULSMRIQEJ-UHFFFAOYSA-N	282.267	1.684	10	20	CDCD	
C[C@H]1CN(C(=O)CSc2nccs2)C[C@@H](C)O1	298501258	IVQWJJCCZMSSER-DTORHVGOSA-N	272.395	1.871	10	20	CDCD	
CCOc1cccc(CN(C)[C@H](CC)CO)c1O	295148174	QTHOVJUIJZNAKD-GFCCVEGCSA-N	253.342	1.994	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)NCC2CNC2)c1	817964896	IQJFFLFDNRITDL-VIFPVBQESA-N	264.325	1.049	10	20	CDCD	
Nc1ccc(CCNC(=O)[C@H]2CNCCC2(F)F)cc1	818545332	YOYKLJVSAGAMAZ-GFCCVEGCSA-N	283.322	1.172	10	20	CDCD	
CC[C@H](CS(=O)(=O)N(C)Cc1ccccc1O)OC	817135562	XJWNEMNPTRJYLG-GFCCVEGCSA-N	287.381	1.579	10	20	CDCD	
O=C(COC(=O)[C@@H]1CCCSC1)c1ccc(O)c(O)c1	811411750	LZWNHGGBZFROHP-SNVBAGLBSA-N	296.344	1.967	10	20	CDCD	
CC(=O)NCC(=O)Oc1ccc2c(c1)c(C)c(C)n2C	817762510	VOFZSMRVCCXFBZ-UHFFFAOYSA-N	274.320	1.837	10	20	CDCD	
Oc1cc(Br)ccc1CN1CC[C@H](O)C1	824566178	FHAGSOIQAJYLQM-JTQLQIEISA-N	272.142	1.721	10	20	CDCD	
COC(=O)[C@@](C)(NC(=O)c1cc(O)cs1)C1CC1	828220342	XYWDOJQAFFMCFC-LBPRGKRZSA-N	269.322	1.525	10	20	CDCD	
COCc1cn(Cc2ccc(N(C)C)c(C)c2)nn1	900572034	URYATDGJUVFBIF-UHFFFAOYSA-N	260.341	1.847	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](C)C[C@@H](C)N	831132637	FRSHOQCMDHBMNG-CHWSQXEVSA-N	292.427	1.986	10	20	CDCD	
CO[C@@H]1COC[C@@H]1NCc1cc(F)cc(C(C)=O)c1O	839198802	INCYDOSAFWQPHV-QWHCGFSZSA-N	283.299	1.237	10	20	CDCD	
CCCn1nccc1C(=O)NCc1cccc(OC)c1O	830541271	WBWULKMWOUMDMP-UHFFFAOYSA-N	289.335	1.937	10	20	CDCD	
Cc1c(CCC(=O)NCCc2ccc(N)cc2)cnn1C	844164735	PCEXLSXLZBCFNF-UHFFFAOYSA-N	286.379	1.602	10	20	CDCD	
C[C@@H]1CCCCN1C(=O)C(=O)Nc1ccc(N)cc1	841009830	HRYZMBJHHQJKKM-SNVBAGLBSA-N	261.325	1.608	10	20	CDCD	
COc1ccc(CNC(=N)NC(C)(C)C)c(O)c1	849024841	BTOHTDOHTBVHCP-UHFFFAOYSA-N	251.330	1.813	10	20	CDCD	
COc1cccc(CNC(=O)NC[C@@H]2CCCCN2)c1O	841921416	WEYORKSWZPJBIY-LBPRGKRZSA-N	293.367	1.342	10	20	CDCD	
COC(=O)[C@@H]1CN(Cc2cc(OC)ccc2O)C[C@H](C)O1	846059443	CLRQGEDCNJMOPC-HZMBPMFUSA-N	295.335	1.163	10	20	CDCD	
Cc1cc(NC(=O)NCc2ccccc2O)nn1C	748660863	DHXNYDDLAHAORE-UHFFFAOYSA-N	260.297	1.756	10	20	CDCD	
COC[C@H](O)CCN[C@H](C)c1cccc(OC)c1O	846157962	QKJBBOFLAWJORN-GHMZBOCLSA-N	269.341	1.449	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC[C@@H](O)CN(C)C(C)C)c1	851900171	QLRWOVWOBIGQRP-QWHCGFSZSA-N	296.411	1.753	10	20	CDCD	
C[C@@H](CO[C@H]1CCOC1)NC(=O)c1cc(O)cs1	754046075	OLJPBQYPBDCGGS-WPRPVWTQSA-N	271.338	1.378	10	20	CDCD	
C[C@H](N[C@@H]1CCOC[C@H]1O)c1cc(Cl)ccc1O	858551964	BQMJQGMAYDLQAL-RLCGTCKNSA-N	271.744	1.846	10	20	CDCD	
COc1cc(CN(C)CC(=O)N2CCCC2)c(O)cc1C	768442380	UCEBKVAPMYSOIZ-UHFFFAOYSA-N	292.379	1.763	10	20	CDCD	
CCC(=O)N[C@@H](C)C(=O)NCc1cc(C)ccc1O	862760000	OWNZRXFPGBTIAU-JTQLQIEISA-N	264.325	1.232	10	20	CDCD	
CSCC[C@H](O)C(=O)NCc1cc(C)ccc1O	862757898	HYEPEEVVUGROGV-LBPRGKRZSA-N	269.366	1.431	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)c1	862755292	QBIZVWAVLZDAGA-BZPMIXESSA-N	261.321	1.884	10	20	CDCD	
Cc1cc(O)c(CN2CCN(C)C[C@@H]2CO)cc1Cl	877643862	KITNTGDYMWHAQV-GFCCVEGCSA-N	284.787	1.462	10	20	CDCD	
CCN(C)c1ccc(CN2CCN3C(=O)NC[C@@H]3C2)cc1	773753372	HWAYVPGFZRXCPI-OAHLLOKOSA-N	288.395	1.352	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@H]2CNCC2(C)C)cc1F	884204787	FBPYOPOIUPTIPB-LBPRGKRZSA-N	293.386	1.754	10	20	CDCD	
C[C@H]1CN(C)C(=O)CN1Cc1ccc(N(C)C)c(F)c1	783727809	FJZVMDORLKZCTL-NSHDSACASA-N	279.359	1.554	10	20	CDCD	
CN1C(=O)C(=Cc2scnc2C2CC2)C(=O)N(C)C1=O	782302751	SOBZGXZSAPISAW-UHFFFAOYSA-N	291.332	1.454	10	20	CDCD	
Cc1ccc(C(=O)O[C@@H](C)CN2CCOCC2)c(O)c1O	782264752	IPIVMLGMORNXJW-NSHDSACASA-N	295.335	1.284	10	20	CDCD	
CCOc1ccc(CN2CCO[C@@H](OC)C2)c(O)c1	895968402	BTSDBOYMMBHOEL-CQSZACIVSA-N	267.325	1.596	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N2CCC[C@H]2CO)cc1	104768516	ZHHVIWZINFCMCN-AWEZNQCLSA-N	277.368	1.419	10	20	CDCD	
CC(C)n1ncc(C(=O)NCc2ccc(O)c(O)c2)c1N	798980930	DVBDOZVCYNCVSD-UHFFFAOYSA-N	290.323	1.387	10	20	CDCD	
Cc1cnn(C)c1/C=C1/SC(N2CCOCC2)=NC1=O	794696374	FKTOMNAHTGJWJP-YRNVUSSQSA-N	292.364	1.031	10	20	CDCD	
CCN(Cc1cc(Cl)ccc1O)[C@@H]1CCNC1=O	799737318	BCOGNXLNEBXNDB-LLVKDONJSA-N	268.744	1.756	10	20	CDCD	
C[C@@H]1CCN(C(=O)C(=O)N(C)Cc2ccccc2O)C1	1348083353	VABGTYKEGWLNKP-LLVKDONJSA-N	276.336	1.219	10	20	CDCD	
Nc1ccc(CNC(=O)NCCCCn2ccnc2)cc1	1356586875	YNMCBBOJHJTCCO-UHFFFAOYSA-N	287.367	1.745	10	20	CDCD	
O=C(O)C1(C(=O)NCc2ccccc2O)CCCC1	911329942	RILMHKDTNHIWHG-UHFFFAOYSA-N	263.293	1.653	10	20	CDCD	
CCCS(=O)(=O)CCN1CCCc2cc(CN)ccc21	226421092	QKYSNYFUMRAYGA-UHFFFAOYSA-N	296.436	1.723	10	20	CDCD	
CCN(CC)C(=O)CNCc1cc(F)ccc1O	226587829	QHXGOXDSRSSMBY-UHFFFAOYSA-N	254.305	1.489	10	20	CDCD	
CC(C)[C@H](Sc1ncc(C(=O)O)s1)C(N)=O	1591051636	FJVCQXMLPZNSIB-LURJTMIESA-N	260.340	1.443	10	20	CDCD	
CCOc1ccc(O)c(CN2CC[C@@](OC)(C(=O)O)C2)c1	1597130823	WWIYGFAMZGBDKG-HNNXBMFYSA-N	295.335	1.466	10	20	CDCD	
CCOC[C@@H](NC(=O)Cc1ccc(N)cc1)C(C)C	233796671	GGQCVMPNHNOLSY-CQSZACIVSA-N	264.369	1.989	10	20	CDCD	
CC(C)C[C@H](O)CNC(=O)Nc1ccc(N)cc1	841299381	BTALCJDTOOLXPA-LBPRGKRZSA-N	251.330	1.797	10	20	CDCD	
Cc1ccc(O)c(CNCCO[C@H]2CCOC2)c1	922938676	SZKLAMQINOMUNQ-ZDUSSCGKSA-N	251.326	1.596	10	20	CDCD	
C[C@@H](NCCO[C@@H]1CCOC1)c1cc(F)ccc1O	927079494	FEBCAMZLTRRVFO-ZYHUDNBSSA-N	269.316	1.987	10	20	CDCD	
C[C@@H](NCC(=O)NCC(F)F)c1cc(F)ccc1O	280936821	SEMPMPIHPCGCCC-SSDOTTSWSA-N	276.258	1.563	10	20	CDCD	
O=S1(=O)CCCC[C@H]1CN[C@H]1CCc2cccc(O)c21	694583683	GNNUJVMGKLRGTK-STQMWFEESA-N	295.404	1.936	10	20	CDCD	
O[C@H]1CCCN(Cc2ccc(N3CCOCC3)c(F)c2)C1	305726421	HGEMMLROQQQGCE-AWEZNQCLSA-N	294.370	1.619	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NC[C@@H]2CCCO2)cc1	31726606	SRTNCADBUZXWBC-AWEZNQCLSA-N	277.368	1.731	10	20	CDCD	
CCOC(=O)N1CC[C@H](NCc2ccccc2O)C1	185781155	UFRWNLINKPPRSO-LBPRGKRZSA-N	264.325	1.713	10	20	CDCD	
COC[C@@H]1CN(Cc2cc(C)ccc2O)C[C@H](C)O1	188380529	LEDIYIZOYMLEKS-JSGCOSHPSA-N	265.353	1.936	10	20	CDCD	
CN(C)c1ccc(CNC(=O)C(=O)NCC2CC2)cc1F	191798056	AVIVEHMHGPZTMY-UHFFFAOYSA-N	293.342	1.034	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CCNC1	237151124	SSVXBZSXZAYLEH-LLVKDONJSA-N	275.352	1.088	10	20	CDCD	
Cc1noc(C)c1CCNC(=O)Cc1ccc(N)cc1	237600555	ZLWASXQDSKBNLU-UHFFFAOYSA-N	273.336	1.775	10	20	CDCD	
Nc1ccc(CCNC(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2)cc1	262469430	ZJBARWMJVKJEPY-BMFZPTHFSA-N	287.407	1.848	10	20	CDCD	
C[C@@](O)(CC(=O)NCCc1ccc(O)c(O)c1)C1CC1	270546512	MUEYVZJMIRTIOF-OAHLLOKOSA-N	279.336	1.308	10	20	CDCD	
COc1cccc(CNC(=O)CCc2cncnc2)c1O	293687847	LLSDMXQXBZKNNG-UHFFFAOYSA-N	287.319	1.440	10	20	CDCD	
NC(=O)C1(NCc2cc(Cl)c(F)cc2O)CC1	816568315	CUBCWNQOYWUYJN-UHFFFAOYSA-N	258.680	1.292	10	20	CDCD	
CCNCCN[C@@H](C)c1cc([N+](=O)[O-])ccc1O	817951322	DUUMTIRCMZQOKG-VIFPVBQESA-N	253.302	1.561	10	20	CDCD	
CC[C@@H](N)CN[C@H](C)c1cc(C(=O)OC)ccc1O	817980839	XJJFXCJPBDAUGP-MWLCHTKSSA-N	266.341	1.567	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)C[C@@H](N)C2CC2)c1	828668228	ZTAZXXOOFVZYJK-NOZJJQNGSA-N	278.352	1.705	10	20	CDCD	
COc1cc(O)c(CN2CC[C@H](F)C2)cc1OC	824571227	LKCYNEFIQPDOKF-JTQLQIEISA-N	255.289	1.953	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N[C@@H]2CC[C@H]2O)cc1F	824265501	GGYJNCYAYQGKBS-DGCLKSJQSA-N	281.331	1.214	10	20	CDCD	
Cc1nnc(CC(=O)NCc2ccc(N(C)C)cc2C)o1	734405742	YJBRTBHMJQDQTB-UHFFFAOYSA-N	288.351	1.611	10	20	CDCD	
O=C(CCCn1ccnc1)NCc1ccc(O)cc1O	910951860	WPVQIIXZENMXTN-UHFFFAOYSA-N	275.308	1.391	10	20	CDCD	
CCOCCCC(=O)N(CC(=O)O)Cc1ccccc1O	911484267	ALIGEBQAGPFTOW-UHFFFAOYSA-N	295.335	1.622	10	20	CDCD	
CCOc1cccc(CN2CC[C@H](C(=O)N(C)C)C2)c1O	840958857	VLOCVPSRDYYRIJ-ZDUSSCGKSA-N	292.379	1.701	10	20	CDCD	
CN(C)c1ccc([C@@H](N)CNC[C@@H]2CCCOC2)cc1	841046237	YHWWJTOMGYWWJN-BBRMVZONSA-N	277.412	1.769	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H]2CCC[C@@H](N)C2)c1O	841059161	ZZFURLNAFYKLOL-GHMZBOCLSA-N	295.339	1.669	10	20	CDCD	
C[C@H](CN)N(C)C(=O)NCCCSc1nccs1	841857697	QRILYSGCCWFXGQ-SECBINFHSA-N	288.442	1.614	10	20	CDCD	
CO[C@H](C(=O)N(CC(=O)O)Cc1ccccc1O)C1CC1	911493882	QFLAWNXTXDIXRO-AWEZNQCLSA-N	293.319	1.230	10	20	CDCD	
C[C@@H](CNC(=O)NCCc1ccc(N)cc1)N(C)C	841912601	MWLRUIZGMSLALU-NSHDSACASA-N	264.373	1.061	10	20	CDCD	
Nc1ccc(NC(=O)[C@H]2CCCN2c2ncccn2)cc1	843294949	MMOSSJCPQXOMAQ-CYBMUJFWSA-N	283.335	1.666	10	20	CDCD	
COc1ccc(CNC(=O)N[C@H]2CCC[C@@H](N)C2)c(O)c1	841981976	LWPYHWQABTZFCO-NEPJUHHUSA-N	293.367	1.470	10	20	CDCD	
C[C@H](N[C@H](C)CC(N)=O)c1cc([N+](=O)[O-])ccc1O	756660760	OXHBFBGOVGKJIK-SFYZADRCSA-N	267.285	1.215	10	20	CDCD	
COC[C@](C)(O)CN[C@H](C)c1cc([N+](=O)[O-])ccc1O	756576406	NKKIHMGSCQTQLR-NOZJJQNGSA-N	284.312	1.348	10	20	CDCD	
CC(=O)N1CC[C@@H](NC(=O)Nc2ccc(N)cc2)C1	857098078	CVDSMGSUYWBZAO-GFCCVEGCSA-N	262.313	1.011	10	20	CDCD	
CCN(C)c1ccc([C@H](C)NCCN2CC[C@@H](O)C2)cc1	858549475	XHYMRHQKIMRXLS-WMLDXEAASA-N	291.439	1.860	10	20	CDCD	
CC[C@@H]1CN(Cc2cc3c(cc2O)OC[C@@H]3O)C[C@@H](C)O1	768447267	NXTBZXSBJWEKSM-HCKVZZMMSA-N	293.363	1.817	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)CCCCO	865903374	AQUACFHDGMWWGA-UHFFFAOYSA-N	264.369	1.840	10	20	CDCD	
CC(C)CC[C@H](CO)NC(=O)c1cc(O)cs1	862778962	OXSVMHORLZGOGF-SECBINFHSA-N	257.355	1.981	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)NC[C@H]1C[C@H](O)C1	875300858	GXANCNZYGCEPEB-NNUKFRKNSA-N	291.395	1.631	10	20	CDCD	
COc1cccc(O)c1CNc1cnn(CCO)c1	776253672	ZWLXJBUZRWVKCM-UHFFFAOYSA-N	263.297	1.202	10	20	CDCD	
COCCN(CCN(C)C)Cc1c(C)cccc1O	877525487	FJDBOQYWEDLNPL-UHFFFAOYSA-N	266.385	1.711	10	20	CDCD	
CCN[C@H](C)C(=O)NCc1ccc(OC)cc1O	876910286	BKCCPWJLSGGXKI-SECBINFHSA-N	252.314	1.015	10	20	CDCD	
CC[C@@H]1CN(Cc2cccc(OC)c2O)C[C@@H]1O	770378259	HAEKQPARSQDECP-PWSUYJOCSA-N	251.326	1.604	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNC[C@@](C)(O)C(C)C)c1O	775015762	XGNUMAQIZVKKBB-CQSZACIVSA-N	298.339	1.806	10	20	CDCD	
C[C@H](NC(=O)[C@H]1CCC(=O)NC1)c1ccc(N(C)C)cc1	773009733	MOMFOHOSGCAVTJ-AAEUAGOBSA-N	289.379	1.456	10	20	CDCD	
CCOCCOCCN(C)C(=O)c1cc(O)cs1	788019786	VRABFMHBRWOQRI-UHFFFAOYSA-N	273.354	1.579	10	20	CDCD	
COc1ccc(CN2CC[C@H](C)[C@@H](CO)C2)c(O)c1OC	895515602	WPIQZJWFKBEPMB-WCQYABFASA-N	295.379	1.860	10	20	CDCD	
COc1ccc(CNc2cc(N(C)C)ncn2)c(O)c1	893638790	ROEPEXZXVWOJJP-UHFFFAOYSA-N	274.324	1.869	10	20	CDCD	
COc1ccc(CN(C)CCN(C)C2CC2)c(O)c1OC	894476176	CMDXQIXESHEZQG-UHFFFAOYSA-N	294.395	1.935	10	20	CDCD	
C[C@@H]1C[C@@H](O)CN1C(=O)/C=C\c1ccc(O)c(O)c1	788550714	SGPBAIJMICUMFA-VVCGMDSISA-N	263.293	1.093	10	20	CDCD	
COc1ccc(CNC(=O)c2ccnc(C)n2)c(O)c1	794378801	FKYHXOOFYZOVPY-UHFFFAOYSA-N	273.292	1.429	10	20	CDCD	
COc1ccc(CNC(=O)[C@H]2C[C@H]3CC[C@H]2O3)c(O)c1	794376148	BCWFJWFLDGSUCU-MBNYWOFBSA-N	277.320	1.585	10	20	CDCD	
COc1ccc(CNC(=O)NCCC[C@@H](C)CO)c(O)c1	793130591	YCRHIUIHCXBAGO-LLVKDONJSA-N	296.367	1.609	10	20	CDCD	
CC(C)CNCC(=O)N(C)Cc1ccccc1O	692201772	TVMUPVQXNNKOTH-UHFFFAOYSA-N	250.342	1.596	10	20	CDCD	
CCOc1cccc(CN(C)CC(=O)NC(C)C)c1O	133387747	VXQGWXYCFHWPFU-UHFFFAOYSA-N	280.368	1.747	10	20	CDCD	
C[C@H]1CC[C@@H](C)N1[C@H](C)C(=O)NCc1ccc(O)c(O)c1	1320507005	GCDCLWZFPJPJIQ-GRYCIOLGSA-N	292.379	1.975	10	20	CDCD	
Cc1ccc(O)c([C@@H](C)NCc2nnc3n2CCOC3)c1	1321028133	LJYARAQZECPMLF-LLVKDONJSA-N	288.351	1.673	10	20	CDCD	
C[C@@H](O)[C@H](NCc1c(O)ccc(Cl)c1F)C(=O)O	1262164163	XWFDRJCTAFMLAJ-FWOIEVBISA-N	277.679	1.108	10	20	CDCD	
COCC(C)(C)CNC(=O)NCc1ccc(N)cc1	1357417637	LAEAEPMTXDMQON-UHFFFAOYSA-N	265.357	1.741	10	20	CDCD	
Cn1cnc(/C=C\C(=O)N2CCc3c(C(=O)O)cccc32)c1	1600990046	IZTFWAVIKYFNGO-WAYWQWQTSA-N	297.314	1.721	10	20	CDCD	
Oc1ccccc1CNc1cccnc1-c1nn[nH]n1	1607111740	FTOZBXRFBBISMH-UHFFFAOYSA-N	268.280	1.579	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1C[C@@H](C(=O)O)C1	1592881968	CWLLCZYAPAZOCY-IEBDPFPHSA-N	293.319	1.256	10	20	CDCD	
COc1ccc(CSc2ncc(C(=O)O)s2)nn1	1599576396	INJNVMKMCATRAN-UHFFFAOYSA-N	283.334	1.932	10	20	CDCD	
COC[C@@]1(C(=O)O)CN(Cc2c(C)cccc2O)CCO1	1593986458	XJIWWBIONVRKPX-OAHLLOKOSA-N	295.335	1.003	10	20	CDCD	
CCONC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	162439979	GNMARSWSDWAOHA-GFCCVEGCSA-N	293.367	1.835	10	20	CDCD	
Cc1nnc(CN2CCOc3cc(N(C)C)ccc32)n1C	163191715	RKDYSCWEKBWBHH-UHFFFAOYSA-N	287.367	1.589	10	20	CDCD	
C[C@@H](CO)NCc1cc(Br)ccc1O	164895594	HBQDPSWNNYNRFB-ZETCQYMHSA-N	260.131	1.625	10	20	CDCD	
C[C@@H](NC(=O)c1cccc(O)c1O)[C@@H](O)C(F)(F)F	819566870	SUFMTZSGQDYJFG-MLUIRONXSA-N	279.214	1.139	10	20	CDCD	
CO[C@]1(CN(C)Cc2ccc(N(C)C)cc2)CCOC1	876511741	UNUOCFJJGCJSEC-INIZCTEOSA-N	278.396	1.990	10	20	CDCD	
Nc1ccc(NC(=O)CCOC[C@@H]2CCCO2)cc1	19278293	AUAAMPLYTXQWSH-ZDUSSCGKSA-N	264.325	1.793	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1N	250151664	CISCSHGPIAVCRW-LWWSYDQCSA-N	274.364	1.724	10	20	CDCD	
CCC[C@H](N)C(=O)N(C)Cc1ccc(N(C)C)cc1	37801169	MFOZQYCLMAJWQS-AWEZNQCLSA-N	263.385	1.838	10	20	CDCD	
CCCNC(=O)CCN[C@@H](C)c1cc(OC)ccc1O	45071918	GDYBTGVENRSTMY-NSHDSACASA-N	280.368	1.968	10	20	CDCD	
COc1cccc(CN(C)Cc2nncn2C)c1O	289990930	CHAFTUCIPLDSLV-UHFFFAOYSA-N	262.313	1.161	10	20	CDCD	
COc1ccc(CN[C@H]2CCS(=O)(=O)[C@H]2C)cc1C	293896994	KTKYDNFVGZCUBR-AAEUAGOBSA-N	283.393	1.669	10	20	CDCD	
CC[C@@H](N[C@H]1CCN(S(C)(=O)=O)C1)c1ccccc1O	400171201	KPAYRHARRNQMMV-WCQYABFASA-N	298.408	1.467	10	20	CDCD	
CCc1cccc(CNCCOCCOC)c1O	691496857	WCHOMEVPZJTLDJ-UHFFFAOYSA-N	253.342	1.707	10	20	CDCD	
CCOC(=O)CN(Cc1cc(OC)ccc1O)C1CC1	179750713	YTAWTTOOWBTERH-UHFFFAOYSA-N	279.336	1.928	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)c2cc(OC)no2)c1	127515253	MSTZYUWYQFQMEH-QMMMGPOBSA-N	292.291	1.888	10	20	CDCD	
NC(=O)Nc1ccc(NC(=O)Cc2ccc(N)cc2)cc1	37041250	MFONNBCZNSTWAM-UHFFFAOYSA-N	284.319	1.941	10	20	CDCD	
O=C(N[C@@H]1CCCC[C@H]1O)c1cccc(O)c1O	126382319	YNZQVYNKTDSVIN-NXEZZACHSA-N	251.282	1.131	10	20	CDCD	
Nc1ccc(CC(=O)N2CCC[C@H](N3CCCC3)C2)cc1	37824230	ACKOZSIUWDECEX-INIZCTEOSA-N	287.407	1.898	10	20	CDCD	
CN(C)c1ccnc(C(=O)NCc2ccc(O)c(O)c2)c1	132472185	KIOJCNPXIUONOU-UHFFFAOYSA-N	287.319	1.489	10	20	CDCD	
CCOc1ccc(O)c(CN2CC[C@@H](O)[C@H](C)C2)c1	190064170	TWCGFIQHSNTDKJ-BXUZGUMPSA-N	265.353	1.994	10	20	CDCD	
COC[C@H](CNCc1cc(OC)ccc1O)OC	227717501	MGSVMPQVCOZYGC-LBPRGKRZSA-N	255.314	1.152	10	20	CDCD	
C[C@@H]1O[C@H](C)[C@@H](C(=O)NCCc2ccc(O)c(O)c2)[C@H]1C	528858292	STFSIEUYAVXUFL-ZVXAKGHKSA-N	293.363	1.816	10	20	CDCD	
CN(C)C/C=C/C(=O)N1CCOc2cc(N(C)C)ccc21	266319064	GHJGGAADKRSFIO-AATRIKPKSA-N	289.379	1.596	10	20	CDCD	
CC(C)OC(=O)[C@H](C)N(C)C(=O)c1cccc(O)c1O	279245298	HMIBEGYIFBFSAI-VIFPVBQESA-N	281.308	1.510	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)Nc1c([N+](=O)[O-])ncn1C	273892977	UIWGXWMIINECCK-MRVPVSSYSA-N	292.295	1.783	10	20	CDCD	
COCC[C@H](CO)NCc1cc(C)c(C)cc1O	282058482	BEKXYMUTWRVWFN-CYBMUJFWSA-N	253.342	1.496	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCC2(CC1)OCCCO2	293911543	CLYSJUNXZCFIFP-UHFFFAOYSA-N	293.319	1.467	10	20	CDCD	
CCOC(=O)CC[C@@H](O)CNCc1ccc2c(c1)CCO2	818997386	ZEUAPHFIOHKQLY-CQSZACIVSA-N	293.363	1.415	10	20	CDCD	
CCOc1ccc(CN2C[C@@H]3[C@@H](CO)[C@@H]3C2)c(O)c1	814172529	QLWHFCTYYFAHLA-WDNDVIMCSA-N	263.337	1.461	10	20	CDCD	
O=C(O)CCNCc1cc(Cl)cc([N+](=O)[O-])c1O	819499064	YEVZQZOZCLKVGJ-UHFFFAOYSA-N	274.660	1.518	10	20	CDCD	
COC[C@@H](CO)NCc1cc(Cl)c(C)cc1O	825750010	ZOQOAEMSFPGCDU-SNVBAGLBSA-N	259.733	1.451	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@@H](O)C1CC1	827955459	ISCOHBTVRGCZRR-AWEZNQCLSA-N	262.353	1.448	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)C1=COCC1	734470653	FTMZLCYRDRSFNL-UHFFFAOYSA-N	260.337	1.981	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@@H](C)[C@@H](C)N	829764649	RNTVVCHOALQBHN-NWDGAFQWSA-N	263.385	1.661	10	20	CDCD	
CCS(=O)(=O)C[C@H](C)N(C)C(=O)c1cc(O)cs1	733365803	SNVJZDRIRVIVTA-QMMMGPOBSA-N	291.394	1.349	10	20	CDCD	
COC(=O)NCCC(=O)NCc1ccc(N(C)C)c(F)c1	730749091	YZKSGKUUWVCHOR-UHFFFAOYSA-N	297.330	1.254	10	20	CDCD	
CO[C@@H]1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)C[C@H]1C	836839013	XIWYPWVPWSXXEC-ZMVHBIPDSA-N	291.347	1.994	10	20	CDCD	
Cc1cc(C)c([C@H](C)NC[C@H](O)Cn2ccnn2)c(O)c1	840804109	ZXYUQIVVPWBHJC-STQMWFEESA-N	290.367	1.312	10	20	CDCD	
C[C@@H](CO)CN(C)c1ccc(OCC(=O)O)cc1	846280504	YTFKTTQNXJSPPP-SNVBAGLBSA-N	253.298	1.215	10	20	CDCD	
CN(C)c1ncc(CN2CCCc3cc(CN)ccc32)cn1	843057723	SDVCJHVACKRERY-UHFFFAOYSA-N	297.406	1.954	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)NCCOC(=O)C1CC1	846076806	FGVHXXHGOPWJJG-KXFIGUGUSA-N	291.303	1.180	10	20	CDCD	
Cn1cc(C(C)(C)NCc2cc3c(cc2O)OCO3)cn1	742374462	YQHKJSOHGRGQJW-UHFFFAOYSA-N	289.335	1.879	10	20	CDCD	
CC[C@H](CN1CCOCC1)NCc1ccccc1O	922589373	KDWHJTWCSPAISE-CQSZACIVSA-N	264.369	1.593	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCOC[C@@]12CCOC2	854337650	CTHVSIUSTGRLJH-LBPRGKRZSA-N	269.322	1.085	10	20	CDCD	
COc1cccc(CNC(=O)[C@]2(C)CCOC2)c1O	755529599	ILSVVKAZEBIURN-CQSZACIVSA-N	265.309	1.444	10	20	CDCD	
CCCN1CC[C@H](NC(=O)/C=C\c2ccc(O)c(O)c2)C1	856073271	MSRMOGKMQSAQTB-AGLBCWCQSA-N	290.363	1.712	10	20	CDCD	
CO[C@H]1C[C@H](NC(=O)c2cc(O)cs2)C1(C)C	753341869	NJCXMJQFJVLLMS-UWVGGRQHSA-N	255.339	1.997	10	20	CDCD	
CC(C)(O)CNCc1ccc(N2CCC(O)CC2)cc1	853122339	OFPMGTQTQOZHFO-UHFFFAOYSA-N	278.396	1.508	10	20	CDCD	
CCOc1ccc(CN(C)CC(=O)NC(C)C)c(O)c1	768202803	AEYXPOSYRAVTNI-UHFFFAOYSA-N	280.368	1.747	10	20	CDCD	
COC(=O)C[C@@]1(NCc2ccc(C)cc2O)CCCOC1	877404537	DKDMZLNVGGZSTQ-INIZCTEOSA-N	293.363	1.903	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCCCN1C	773740985	RJELDMGOVZUGSP-DGCLKSJQSA-N	292.379	1.629	10	20	CDCD	
C[C@@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)CC[C@@H]1O	778261008	PYFYHZBQWWPVKL-DOMZBBRYSA-N	291.395	1.665	10	20	CDCD	
CN(Cc1ncon1)C(=O)/C=C\c1ccc(O)c(O)c1	779543379	AXNKMXFXYHXVBT-HYXAFXHYSA-N	275.264	1.153	10	20	CDCD	
Cc1cc(C)c(O)c(CN2C[C@H]3C(=O)N(C)C(=O)[C@H]3C2)c1	872714594	NVVITKFEQZTHAX-BETUJISGSA-N	288.347	1.056	10	20	CDCD	
CCOCC(=O)COC(=O)/C=C/c1ccc(O)c(O)c1	777064786	GDHQKYQFFXYETR-GQCTYLIASA-N	280.276	1.260	10	20	CDCD	
Cc1nc2n(n1)C[C@@H](NCc1c(C)cccc1O)CC2	877003028	JHOYMJVYQYSOCI-LBPRGKRZSA-N	272.352	1.705	10	20	CDCD	
C[C@H](N[C@@H]1COCC[C@H]1O)c1c(O)cccc1F	886646746	RYFDPXWLBTUKDC-JMJZKYOTSA-N	255.289	1.332	10	20	CDCD	
Cc1c[nH]cc1C(=O)OCC(=O)c1ccc(O)c(O)c1	783124954	UKVFXWWBFFJMNI-UHFFFAOYSA-N	275.260	1.774	10	20	CDCD	
C[C@@H]1NC(=O)[C@@H](C)N(Cc2cc(F)ccc2O)[C@H]1C	895119101	VGVMPHMYJRUPAQ-LPEHRKFASA-N	266.316	1.629	10	20	CDCD	
COc1ccc(O)c(CN2CCN(C[C@@H](C)O)C[C@H]2C)c1	793586189	GQEATZZQLWNLOZ-CHWSQXEVSA-N	294.395	1.288	10	20	CDCD	
CC[C@@H]1CC[C@@H](C(=O)NCCc2ccc(N)cc2)O1	269144338	AMICSNXYZYAMHQ-KGLIPLIRSA-N	262.353	1.885	10	20	CDCD	
CCOc1cccc(CN2C[C@@H](O)C[C@]2(C)CO)c1O	895327950	FGVHGVYFYZYOIW-SWLSCSKDSA-N	281.352	1.109	10	20	CDCD	
CN(CCCN1CCOC1=O)Cc1ccccc1O	731843106	VVZNIAXVVDKCDH-UHFFFAOYSA-N	264.325	1.666	10	20	CDCD	
CCOc1ccc(N2CCN([C@H](CC)C(N)=O)CC2)cc1	1253448961	JBHMGORGZCSFQH-OAHLLOKOSA-N	291.395	1.471	10	20	CDCD	
CC[C@@H](O)CNC(=O)NCc1ccc(N(C)C)c(F)c1	1330663642	AJBFVFSBGMIDNQ-LLVKDONJSA-N	283.347	1.462	10	20	CDCD	
CCCNC(=O)[C@@H](C)NC(=O)/C=C\c1ccc(O)c(O)c1	1336705868	LLCXFCYBYRDYTJ-ONRRBMGISA-N	292.335	1.142	10	20	CDCD	
Cc1cc(Cn2cc(C[C@@H](C)O)nn2)ccc1N(C)C	1331244434	RBPVUPOVIPSUJE-GFCCVEGCSA-N	274.368	1.624	10	20	CDCD	
CN1CC[C@@H](CC(=O)NCc2cccc(O)c2O)C1	1263894369	CZZFNTQCZQQDHP-JTQLQIEISA-N	264.325	1.056	10	20	CDCD	
CN(Cc1ccc(C(N)=O)cc1)C(=O)c1cc(O)cs1	1347182090	WGMBPGWHFWNESA-UHFFFAOYSA-N	290.344	1.825	10	20	CDCD	
CN(C)c1cc(F)c(CNC[C@]2(O)CCOC2)cc1F	1351328670	DTDAQXSNTRUWMJ-CQSZACIVSA-N	286.322	1.272	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@]2(C(=O)O)CCCO2)cc1	1604091294	VDZGZQQGWWLYPV-HNNXBMFYSA-N	292.335	1.003	10	20	CDCD	
C[C@H](NC[C@@]1(O)CCO[C@@H]1C)c1ccc(N(C)C)cc1	228062031	FTWBTJMUUANBBN-ZENOOKHLSA-N	278.396	1.943	10	20	CDCD	
C[C@@]1(N)CCCC[C@@H]1C(=O)NCc1cccc(O)c1O	1576532110	ZFPIQGHZJDYADW-IAQYHMDHSA-N	278.352	1.622	10	20	CDCD	
CC(=O)Nc1cccnc1C(=O)Nc1ccc(N)cc1	1575029934	RMNKQTQCJRHASR-UHFFFAOYSA-N	270.292	1.875	10	20	CDCD	
CCN1C[C@H](N[C@@H](C)c2cc(C(=O)O)ccc2O)CC1=O	1596403471	XZGKMPWJAMEHKV-GXSJLCMTSA-N	292.335	1.362	10	20	CDCD	
CCN(CC(=O)O)Cc1ccc(OC)c(OC)c1O	1596226164	BNSJTRQDHSRZFI-UHFFFAOYSA-N	269.297	1.316	10	20	CDCD	
COc1ccc(O)c(CNc2ccc(-c3nn[nH]n3)nc2)c1	1591619092	RRMITFIDBLWJRC-UHFFFAOYSA-N	298.306	1.588	10	20	CDCD	
CC[C@@H](C)[C@@H](OC(=O)c1cccc(O)c1O)C(=O)O	1594926018	GOPSNSQUXCFHLW-RDDDGLTNSA-N	268.265	1.754	10	20	CDCD	
CC(C)(NCc1ccc(N2CC[C@@H](O)C2)cc1)C(=O)O	1776296742	KFRWQHUMXSHNFT-CYBMUJFWSA-N	278.352	1.210	10	20	CDCD	
CCOc1ccc(O)c(CN2CCC(C(N)=O)CC2)c1	158634385	MFKWFZSAZGNPNN-UHFFFAOYSA-N	278.352	1.488	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2cc[nH]c(=O)c2)cc1F	153343608	POZLLZRXKHELFE-UHFFFAOYSA-N	289.310	1.510	10	20	CDCD	
O=C(NCCc1ccncc1)c1cccc(O)c1O	126273707	NGQUQTLSBHDIRP-UHFFFAOYSA-N	258.277	1.465	10	20	CDCD	
C[C@@H](NC(=O)[C@H]1CCCC(=O)N1)c1ccccc1O	827946475	JGZNPHDKPXZADW-MWLCHTKSSA-N	262.309	1.238	10	20	CDCD	
CC1(C)[C@@H](O)C[C@@H]1NCc1cc2c(cc1O)OCO2	128124367	VZKSFRIDITXTGP-STQMWFEESA-N	265.309	1.370	10	20	CDCD	
Cc1cccc(O)c1CNC[C@@]1(O)CCSC1	877082640	ZWJIXHUDCUTLFC-ZDUSSCGKSA-N	253.367	1.658	10	20	CDCD	
Oc1cc2c(cc1CN1CC[C@]3(CCOC3)C1)OCO2	151296615	JPOZYHLISHNQRN-HNNXBMFYSA-N	277.320	1.733	10	20	CDCD	
CCN(Cc1cccc(C)c1O)[C@H]1CCS(=O)(=O)C1	179562180	GMFPYROPEYMYSR-ZDUSSCGKSA-N	283.393	1.710	10	20	CDCD	
CNC(=O)C[C@H](C)N[C@@H](C)c1ccc(F)cc1O	322515742	KDNBEFNCKLKMBN-IUCAKERBSA-N	254.305	1.707	10	20	CDCD	
CC(=O)N[C@@H](C)C(=O)NCc1c(O)ccc2c1CCCC2	174512465	BBXILALMYTVKCJ-JTQLQIEISA-N	290.363	1.412	10	20	CDCD	
CN(CC(=O)NC1CC1)Cc1cccc(Cl)c1O	179606974	HUCAOXPKMMSFRL-UHFFFAOYSA-N	268.744	1.756	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@@H]2CCOC2)c1	114542939	QIPZFELXMGHHFJ-SECBINFHSA-N	251.282	1.054	10	20	CDCD	
COCC[C@](C)(O)CNCc1cc(C)ccc1O	172069954	NVIDYJIHROCKAT-AWEZNQCLSA-N	253.342	1.578	10	20	CDCD	
CN[C@H](C)CCNCc1ccc(N(C)C)c(F)c1	1348515910	QVPFYLDRAYLPPB-LLVKDONJSA-N	253.365	1.979	10	20	CDCD	
COc1cc(O)c(CNC[C@@H]2CC[C@H](O)C2)cc1OC	187985104	PWOBOMTUGHFZMW-PWSUYJOCSA-N	281.352	1.660	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)c1ncccc1O	132337882	QKUBEVINVJZGTL-UHFFFAOYSA-N	260.249	1.128	10	20	CDCD	
C[C@@H](O)CN(C)Cc1cc(Br)ccc1O	130741561	YFOAAAKZEXGATA-MRVPVSSYSA-N	274.158	1.967	10	20	CDCD	
CN(CC(=O)N1CCCC1)C(=O)Nc1ccc(N)cc1	48987065	GUVJNRSHGBJXGT-UHFFFAOYSA-N	276.340	1.355	10	20	CDCD	
CC(C)n1cc(S(=O)(=O)NCc2ccccc2O)cn1	269752365	ZIRCFNCEIFNAOX-UHFFFAOYSA-N	295.364	1.648	10	20	CDCD	
CCC(=O)N1CC[C@H](NC(=O)NCc2ccccc2O)C1	268518460	FCJNBXSSRVNYGS-LBPRGKRZSA-N	291.351	1.202	10	20	CDCD	
COCC[C@@](C)(O)CN[C@@H](C)c1cc([N+](=O)[O-])ccc1O	273562158	IHVCMFXPFBEUHW-IINYFYTJSA-N	298.339	1.739	10	20	CDCD	
CCN1CCN(Cc2c(O)cccc2Cl)CC1=O	273532545	VMIFHNVSBANLNV-UHFFFAOYSA-N	268.744	1.710	10	20	CDCD	
COC[C@@H](CNC(=O)NCc1ccc(N(C)C)cc1)OC	272975112	NKTWJTNOZSPTOR-CQSZACIVSA-N	295.383	1.213	10	20	CDCD	
Cc1cc(O)c(CN(C)CCOCCO)cc1C	282669165	HNLIOVHEXJWLEQ-UHFFFAOYSA-N	253.342	1.450	10	20	CDCD	
CC(=O)C(=O)Cn1cncc(-c2ccccc2)c1=O	808041782	ATQKZGBQOAWGHM-UHFFFAOYSA-N	256.261	1.068	10	20	CDCD	
CCOC(=O)CC(=O)N(C)Cc1ccc(N(C)C)cc1	299626725	RPFMDXWPLNDPMN-UHFFFAOYSA-N	278.352	1.664	10	20	CDCD	
COC(=O)c1cnc(SCCc2ccnn2C)s1	295149817	FCFUEZQGHBPAPZ-UHFFFAOYSA-N	283.378	1.998	10	20	CDCD	
CC(=O)NCc1ccc(N2CCC(CO)CC2)cc1	299159874	OGMKWKVOTGEEDT-UHFFFAOYSA-N	262.353	1.531	10	20	CDCD	
CN(C)c1ccc([C@H](N)CNC[C@H](N)CC(F)F)cc1	903917930	OVUYXWUEIIBBFP-DGCLKSJQSA-N	286.370	1.325	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1[C@H]2CCC(=O)[C@@H]21	906713695	FEBFJABRFQNTKL-NUEKZKHPSA-N	286.375	1.902	10	20	CDCD	
COc1cccc([C@H]2NC3(CCCC3)C(=O)N2C)c1O	731853122	CNUNPJJDOOGWOI-ZDUSSCGKSA-N	276.336	1.774	10	20	CDCD	
CO[C@@H]1COCC[C@H]1CNCc1cc2c(cc1O)OCO2	824710050	VPZSAPCILGULFA-ZUZCIYMTSA-N	295.335	1.262	10	20	CDCD	
CN(Cc1ccccc1O)C[C@H]1CC2(CCNCC2)CO1	903722735	OGXOMVAPIZCXNK-OAHLLOKOSA-N	290.407	1.983	10	20	CDCD	
O=C(NOCCC1CC1)c1c(F)ccc(O)c1O	832845236	JJZVSBKEIIKLSD-UHFFFAOYSA-N	255.245	1.698	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@H](O)C1CC1	734687587	KIUNNJCQXCOQCM-OAHLLOKOSA-N	291.395	1.631	10	20	CDCD	
O=C(COC(=O)C1CCC1)c1ccc(O)c(O)c1	916589900	FTCSNRKEBQUNAT-UHFFFAOYSA-N	250.250	1.624	10	20	CDCD	
C[C@H](CCO)N(C)CC(=O)NCc1ccc(N(C)C)cc1	844445312	BCPUMACQLHIQLK-CYBMUJFWSA-N	293.411	1.072	10	20	CDCD	
COc1ccc(CNC(=O)NCCCC(=O)O)c(O)c1	840992570	JDPMJHHRFPSECF-UHFFFAOYSA-N	282.296	1.065	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)NC[C@@H](C)N)cc1	841717641	MBOAUKSSQGAJMM-GFCCVEGCSA-N	278.400	1.679	10	20	CDCD	
CC(=O)NCC(C)(C)C(=O)NCc1cc(Cl)ccc1O	846476780	OTPORAIIARTCSJ-UHFFFAOYSA-N	298.770	1.824	10	20	CDCD	
CCC1(c2nc(Cc3ccc(N)cc3)no2)COC1	843158325	BILRHCUVGAWPPM-UHFFFAOYSA-N	259.309	1.921	10	20	CDCD	
C[C@H](NC[C@H](O)Cn1ccnn1)c1ccc(Cl)cc1O	841752588	BPPIUAXASONCCS-ONGXEEELSA-N	296.758	1.349	10	20	CDCD	
CN(C)c1ccc(CNC[C@H]2CC(=O)N(C3CC3)C2)cc1	846076032	CTLVKBVANUXGHS-CQSZACIVSA-N	287.407	1.853	10	20	CDCD	
COc1ccc(O)c(CN[C@H](C(=O)O)c2ccnn2C)c1	843039342	PMDMXNZCKTZQPU-ZDUSSCGKSA-N	291.307	1.050	10	20	CDCD	
CCN(C)c1ccc([C@H](C)NC[C@H]2CNC(=O)C2)cc1	840834622	XTJXSUJEEQFRPQ-STQMWFEESA-N	275.396	1.929	10	20	CDCD	
CCC[C@@H](C)NC(=O)[C@H](C)OC(=O)c1cccc(O)c1O	758562426	RGBGEHZMLGMVOM-ZJUUUORDSA-N	295.335	1.948	10	20	CDCD	
C[C@@H]1COC[C@H]1NCc1ccc(N2CCC(O)CC2)cc1	922641230	YOYHXCXMGNPRJM-CXAGYDPISA-N	290.407	1.772	10	20	CDCD	
CNC(=O)[C@@H]1CCC[C@@H]1N[C@H](C)c1cc(OC)ccc1O	756776061	VHVJWAMSSJCSND-QKCSRTOESA-N	292.379	1.966	10	20	CDCD	
CC(=O)N1CC[C@@H](NCc2ccc(N(C)C)cc2C)C1	857068476	VYWVNZPOSLXMSM-OAHLLOKOSA-N	275.396	1.771	10	20	CDCD	
CC(=O)NCCCNCc1cc(F)c(N(C)C)cc1F	858091329	QBIMEJPPDKBTGC-UHFFFAOYSA-N	285.338	1.647	10	20	CDCD	
COCc1ccc(/C=C2\SC(=S)NC2=O)o1	764412048	CLMAVICITGDYSL-YWEYNIOJSA-N	255.320	1.915	10	20	CDCD	
CC[C@]1(C(=O)NCc2cc(C)ccc2O)CCNC1=O	869410292	JWDLUJLAZCVRSM-HNNXBMFYSA-N	276.336	1.233	10	20	CDCD	
CC[C@H](C(=O)NCc1cc(C)ccc1O)[C@H](C)O	863937142	LTZAIGIYSZBQOY-JQWIXIFHSA-N	251.326	1.724	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)OCC(=O)[C@@H]1CCOC1	762923998	JLLOQZAPZJKHIK-CJHWANRJSA-N	292.287	1.260	10	20	CDCD	
CO[C@@]1(CNCc2ccc(N(C)C)c(F)c2)CCOC1	763481005	RTDFIKKJCWMYPH-OAHLLOKOSA-N	282.359	1.787	10	20	CDCD	
CN(C(=O)c1cnn([C@H]2CCCNC2)c1)c1ccc(N)cc1	877075255	BJDANLVZFBZONE-HNNXBMFYSA-N	299.378	1.666	10	20	CDCD	
C[C@H](NC(=O)N1CCC[C@@H]1CO)c1ccc(N(C)C)cc1	776239166	RIYIQADQZOSYRL-SWLSCSKDSA-N	291.395	1.980	10	20	CDCD	
COC(=O)[C@@H](COC(C)C)N(C)Cc1ccccc1O	779032035	DONLUFZTEYZKOK-CYBMUJFWSA-N	281.352	1.791	10	20	CDCD	
CNC(=O)C1(C(=O)N(C)c2ccc(N)cc2)CCC1	877078319	LTLWAIJKGIWVCU-UHFFFAOYSA-N	261.325	1.148	10	20	CDCD	
CN(C(=O)[C@H]1CCc2nnn(C)c2C1)c1ccc(N)cc1	877074421	JQECBKFECLUXAP-JTQLQIEISA-N	285.351	1.165	10	20	CDCD	
CN1CCCC[C@@H]1CNC(=O)c1cc(O)cs1	1120810679	UNLNJHIPHSMJJF-SECBINFHSA-N	254.355	1.668	10	20	CDCD	
O=[N+]([O-])c1ccc(O)c(CNCC[C@H](O)C2CC2)c1	898206601	QXKCFNKFVHONQD-ZDUSSCGKSA-N	266.297	1.551	10	20	CDCD	
c1cc2c(cc1CNCCN1CCCOCC1)CCCO2	894472312	SRFBGOBGXMZVIT-UHFFFAOYSA-N	290.407	1.824	10	20	CDCD	
CO[C@@H](C)CC(=O)OCC(=O)c1ccc(O)c(O)c1	783335914	FOPYRLOSAHGULJ-QMMMGPOBSA-N	268.265	1.249	10	20	CDCD	
C[C@@H](NC(=O)N[C@H]1CCCNCC1)c1ccccc1O	892081807	FBEQGNQJWNNBGL-NEPJUHHUSA-N	277.368	1.895	10	20	CDCD	
COCC[C@@](C)(O)CN[C@@H](C)c1cc(F)ccc1O	185468032	PSTPIJNVSOWHDJ-IINYFYTJSA-N	271.332	1.969	10	20	CDCD	
CC(C)OCCONC(=O)/C=C\c1ccc(O)c(O)c1	795072491	DVUFMLDBIYBIRB-XQRVVYSFSA-N	281.308	1.584	10	20	CDCD	
COc1cc(C)cc(CN2CC[C@H](S(C)(=O)=O)C2)c1O	799948855	YLLQKQFQIXCGNC-LBPRGKRZSA-N	299.392	1.328	10	20	CDCD	
COc1cccc(O)c1CNC[C@](C)(O)C1CC1	732668215	DAIURWIGAXUHIP-AWEZNQCLSA-N	251.326	1.651	10	20	CDCD	
C[S@](=O)C1(CNC(=O)c2cc(O)cs2)CC1	799853318	PVHPCFIBGZNOBY-INIZCTEOSA-N	259.352	1.095	10	20	CDCD	
C[C@H](N[C@@H]1CCCCNC1=O)c1ccc(F)cc1O	62746648	AUHOKNXOYCVGFZ-JOYOIKCWSA-N	266.316	1.851	10	20	CDCD	
CC[C@H](OC)C(=O)NCc1ccc(OC)cc1O	794390791	RDIJBJNDZHLKRJ-LBPRGKRZSA-N	253.298	1.442	10	20	CDCD	
CC(C)C(=O)NCCC1=CCN(c2cnc(F)cn2)CC1	1089807165	GXPVZSWXKWRYCJ-UHFFFAOYSA-N	292.358	1.915	10	20	CDCD	
C[C@H](CNC(=O)C(=O)N(C)Cc1ccccc1O)C1CC1	1321874017	ISKDMYGVODHGJG-LLVKDONJSA-N	290.363	1.513	10	20	CDCD	
COC[C@H](C)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	1335133217	FLWUIGOVFKFZSF-BBRMVZONSA-N	279.428	1.980	10	20	CDCD	
CN(C)c1ccc(CNC(=O)Cc2nnc(N)s2)cc1	1263701515	GTVJXHCJJYTSSO-UHFFFAOYSA-N	291.380	1.045	10	20	CDCD	
COc1ccc(CNC(=O)CCSCCCN)c(O)c1	1340322432	UWHYODKFJCXXSL-UHFFFAOYSA-N	298.408	1.489	10	20	CDCD	
CN(C)c1ccc(CN[C@@H](C[C@@H]2CCCO2)C(=O)O)cc1	1350653062	MBXSOMQXWRRHDC-GJZGRUSLSA-N	292.379	1.865	10	20	CDCD	
CC(C)C[C@@H](O)CNC(=O)NCc1ccc(N)cc1	1357791484	NAPAJHDCHGCHGF-CYBMUJFWSA-N	265.357	1.475	10	20	CDCD	
CCn1ncc(CN[C@@H](C)c2cc(C(=O)O)ccc2O)n1	1605941387	VCTRZNJRBFNWOH-VIFPVBQESA-N	290.323	1.553	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)CC1(CN)CC1	1577939445	INGKCDJXFHCTGM-UHFFFAOYSA-N	283.368	1.623	10	20	CDCD	
C[C@H](Nc1cncc(-c2nn[nH]n2)n1)c1ccccc1O	1580441272	GVSXHWVVVNZNID-QMMMGPOBSA-N	283.295	1.535	10	20	CDCD	
CCCn1cc(CNCc2ccc(C(=O)O)cc2O)nn1	1776842322	JGRDTWGPIYHCDR-UHFFFAOYSA-N	290.323	1.382	10	20	CDCD	
Cc1cc(C)c(O)c(CN2CCn3cnnc3C2)c1	164322158	HTSZVFQHSVPRQK-UHFFFAOYSA-N	258.325	1.616	10	20	CDCD	
CCOCC(=O)N[C@H](C)c1cc(OC)ccc1O	157873039	HQDPIJQYIDMVQB-SECBINFHSA-N	253.298	1.615	10	20	CDCD	
C[C@H](CN1CCCCC1)NC(=O)c1cccc(O)c1O	126309965	JUPSRSGBGJQDHD-LLVKDONJSA-N	278.352	1.702	10	20	CDCD	
CN(C)CC1CCN(C(=O)Cc2ccc(N)cc2)CC1	37826084	OJYGZBWSEUTMOH-UHFFFAOYSA-N	275.396	1.612	10	20	CDCD	
COCC[C@@](C)(O)CNCc1cc(OC)ccc1O	182210777	MLZZQODQWBUNEN-CQSZACIVSA-N	269.341	1.278	10	20	CDCD	
O=C(NC[C@H]1CCC[C@@H](O)C1)c1cccc(O)c1O	187124251	YANBWGITWTXVMJ-VHSXEESVSA-N	265.309	1.379	10	20	CDCD	
CC[C@H](N[C@H]1CCN(S(C)(=O)=O)C1)c1ccccc1O	400170745	KPAYRHARRNQMMV-AAEUAGOBSA-N	298.408	1.467	10	20	CDCD	
COc1ccc(CNCCN2CCCC2=O)cc1C	405392591	KZILBNQLODIXLU-UHFFFAOYSA-N	262.353	1.716	10	20	CDCD	
COCC(COC)NCc1cc(Cl)cc(OC)c1O	388398015	KKQRYTFOPCTVHK-UHFFFAOYSA-N	289.759	1.805	10	20	CDCD	
C[C@H](NCCCn1cncn1)c1cc(F)ccc1O	381659223	DKQGCAMTXNXGLK-JTQLQIEISA-N	264.304	1.864	10	20	CDCD	
COc1cccc(CNC(=O)CCn2cc(C)cn2)c1O	105650172	RMHNLBYYHFOHIC-UHFFFAOYSA-N	289.335	1.612	10	20	CDCD	
CC(=O)NC[C@@H]1CN(Cc2cc(C)c(C)cc2O)CCO1	172169627	AUNPQXQXXFLHDC-OAHLLOKOSA-N	292.379	1.346	10	20	CDCD	
COC(=O)[C@H]1CCCN1Cc1cc(F)cc(C(C)=O)c1O	177250316	ORZJELAZHFWPAZ-CYBMUJFWSA-N	295.310	1.871	10	20	CDCD	
C[C@@]1(O)CCN(Cc2ccc(N3CCOCC3)cc2)C1	180189976	YBMDYJIBISKOAI-MRXNPFEDSA-N	276.380	1.480	10	20	CDCD	
CN1C(=O)C(=Cc2sccc2Cl)C(=O)N(C)C1=O	195221234	NGJUOJANYAOMIH-UHFFFAOYSA-N	284.724	1.835	10	20	CDCD	
O=C(COCC(F)(F)F)NCc1ccccc1O	225107064	DWDAXFYSRCDTTR-UHFFFAOYSA-N	263.215	1.587	10	20	CDCD	
O=C(NCCCO)NCc1ccc(N2CCCC2)cc1	47599112	ANQQRGLOZYIDRJ-UHFFFAOYSA-N	277.368	1.468	10	20	CDCD	
Oc1ccc(-c2ccccc2)cc1CN1C[C@H](O)[C@H](O)C1	93483612	LDUNBEABWGCGJP-CALCHBBNSA-N	285.343	1.597	10	20	CDCD	
COc1ccc(O)c(CN2C[C@@](C)(CO)[C@@](C)(CO)C2)c1	529669250	SWYPVTIKUCIEJT-IYBDPMFKSA-N	295.379	1.214	10	20	CDCD	
OCCOCCN(Cc1ccccc1O)C[C@@H]1CCCO1	265809853	PTFAONQCLRBTMD-HNNXBMFYSA-N	295.379	1.382	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NC[C@@H](O)C2CC2)cc1	264052963	INKCJMWABOTCSH-CQSZACIVSA-N	277.368	1.323	10	20	CDCD	
Oc1cc2c(cc1CN1CC[C@H]([C@H]3CCOC3)C1)OCO2	372175263	GRQLWPAIVKMYIJ-RYUDHWBXSA-N	291.347	1.979	10	20	CDCD	
CCOc1cccc(CN(C)CCOCCO)c1O	282776505	PZEOJGWCBODOQY-UHFFFAOYSA-N	269.341	1.232	10	20	CDCD	
COCCCONC(=O)NCc1ccccc1O	287951202	GYFYDZJNPPNHJD-UHFFFAOYSA-N	254.286	1.160	10	20	CDCD	
CCOc1cccc(CN2CC(=O)N[C@@H](C)C2)c1O	295099730	USQNMOMJAWZRLD-JTQLQIEISA-N	264.325	1.111	10	20	CDCD	
CC(=O)C(=O)COc1ccc(C(=O)OC(C)C)cc1	808023618	QMWSIXRUGYKMCU-UHFFFAOYSA-N	264.277	1.789	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNCC[C@H](C)CCO)c1O	294673250	ARGFXBQKTDDUFY-JTQLQIEISA-N	298.339	1.807	10	20	CDCD	
O=C(c1cc(O)cs1)N1CC[C@@H](n2cccn2)C1	812720225	ZMUMINDEJBVWAR-SECBINFHSA-N	263.322	1.737	10	20	CDCD	
CN(Cc1ccc2ccccc2c1O)[C@@H]1CCNC1=O	816521059	FLUKFLLAJVAMJC-CQSZACIVSA-N	270.332	1.866	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)NC1(CCO)CC1	817138287	YKRWSHIMRWIPKG-RQOWECAXSA-N	263.293	1.142	10	20	CDCD	
CCN(CCO)CCNCc1cc(Cl)c(C)cc1O	825535842	CPAHZOJCAYJDSK-UHFFFAOYSA-N	286.803	1.758	10	20	CDCD	
COc1cc(O)c(CNC2([C@H](C)O)CC2)cc1OC	827586358	WOLQRHITGUJLCF-VIFPVBQESA-N	267.325	1.412	10	20	CDCD	
COC[C@@H](NCc1cc(Cl)c(C)cc1O)C(=O)OC	825666475	KVTHCEMAJSRUCM-LLVKDONJSA-N	287.743	1.632	10	20	CDCD	
CN(C)c1ccc(CN(C(=O)CCC(N)=O)C2CC2)cc1	905960442	XZPHWRZSTPUBTB-UHFFFAOYSA-N	289.379	1.509	10	20	CDCD	
Cn1cccc1C(=O)COC(=O)c1cc(O)cs1	732353044	BYVSBRYLPZYKDL-UHFFFAOYSA-N	265.290	1.832	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)NCCCON)c1	902424799	LKDVIZKRGFVDQD-SECBINFHSA-N	268.313	1.110	10	20	CDCD	
CN(CCCC(=O)N(C)Cc1ccccc1O)C(=O)O	737416091	YDYXKWGNXFWCCE-UHFFFAOYSA-N	280.324	1.741	10	20	CDCD	
COc1ccc(O)c(CNC2(CC(=O)O)CCC2)c1	833733379	FYDABJNLDNZGGI-UHFFFAOYSA-N	265.309	1.888	10	20	CDCD	
Cc1nc([C@H]2CCCN(C(=O)Cc3ccc(N)cc3)C2)n[nH]1	831336819	CXTQJZSRVKRHDY-ZDUSSCGKSA-N	299.378	1.644	10	20	CDCD	
CC[C@H](N[C@@H](C)c1cc(C(=O)OC)ccc1O)[C@@H](C)O	834886272	BDXFYSZTYUUJHD-CWSCBRNRSA-N	281.352	1.989	10	20	CDCD	
O=C(O)c1ccc(CNC(=O)c2cc(O)cs2)o1	740130478	BAWHKTKLQLXOKJ-UHFFFAOYSA-N	267.262	1.675	10	20	CDCD	
O=C(CSc1ncc(Cl)s1)N1CCNC1=O	849999318	YHFWKVDXGYUESA-UHFFFAOYSA-N	277.758	1.440	10	20	CDCD	
CCOC(=O)[C@H](C(=O)NCc1ccc(O)cc1O)C(C)C	910957663	UVRMJEAIFDVGPE-ZDUSSCGKSA-N	295.335	1.549	10	20	CDCD	
Nc1ccc(Cc2nc(C3(N)CCCC3)no2)cc1	842590414	PAMWRDWDJJZEHK-UHFFFAOYSA-N	258.325	1.971	10	20	CDCD	
COc1cccc(CNC(=O)[C@H](C)Cc2cnc[nH]2)c1O	847589700	MSSORAHVSRCSBA-SNVBAGLBSA-N	289.335	1.619	10	20	CDCD	
CCC(N)(CC)CNCc1cc2c(cc1O)OCO2	841031620	YTVTZVNUPIXJRZ-UHFFFAOYSA-N	266.341	1.728	10	20	CDCD	
CC1(C)CCN(C(=O)C(=O)Nc2ccc(N)cc2)C1	841052168	ACKKIQJNLIJBFZ-UHFFFAOYSA-N	261.325	1.466	10	20	CDCD	
CCN(CC)S(=O)(=O)NCc1cc(Cl)ccc1O	845999567	WQMXGRSRORJKJJ-UHFFFAOYSA-N	292.788	1.722	10	20	CDCD	
C[C@H](CNC(=O)N(C)Cc1ccc(N(C)C)cc1)C(=O)O	848586820	PTICRWZIZPCOEF-LLVKDONJSA-N	293.367	1.615	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)NCCNC1CC1	841928895	DYXXYMONXYTSBJ-UHFFFAOYSA-N	290.411	1.646	10	20	CDCD	
CCN(C)C(=O)CN(C)c1ccc(OC)c(OC)c1	920418589	PNAZUIXRXALQBB-UHFFFAOYSA-N	266.341	1.618	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)NCc1ncccn1	852621256	RTHSFSXYWBGSQK-UHFFFAOYSA-N	299.378	1.850	10	20	CDCD	
COC[C@@H](CCO)N[C@@H](C)c1cc(F)cc(F)c1O	756591933	HEURIXRPYASKRE-WCBMZHEXSA-N	275.295	1.718	10	20	CDCD	
CC(=O)NCCCOC(=O)/C=C\c1ccc(O)c(O)c1	759579720	NZNXRVZNJDMHHO-XQRVVYSFSA-N	279.292	1.180	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)c2[nH]c(C)nc2C)c1	863937314	PRXNVMGFBXACNS-UHFFFAOYSA-N	259.309	1.971	10	20	CDCD	
CCC[C@H](O)CC(=O)NCc1cc(C)ccc1O	862757863	GVVYLHIIPBYVEF-LBPRGKRZSA-N	251.326	1.868	10	20	CDCD	
COc1cc(CN(C)[C@@H]2CCN(C)C2=O)c(O)cc1C	768445824	JRXUQXCDSDBGFG-GFCCVEGCSA-N	278.352	1.372	10	20	CDCD	
CC(C)COC(=O)[C@H](C)NC(=O)c1cc(O)cs1	765404358	SEEKGMFLLZPEIS-QMMMGPOBSA-N	271.338	1.771	10	20	CDCD	
O=C1C[C@@H](NCc2cc(Cl)ccc2O)CCCN1	877612907	QJPXVHNZVZLABQ-NSHDSACASA-N	268.744	1.804	10	20	CDCD	
COc1ccc(CNC(=O)NC[C@@H]2CC(C)=NO2)c(O)c1	875961906	UXMQFKBJNOHNIF-LBPRGKRZSA-N	293.323	1.365	10	20	CDCD	
CCOCCCNC(=O)[C@@H](C)N[C@H](C)c1ccccc1O	879648708	AFRAJQLTCFSRLB-CHWSQXEVSA-N	294.395	1.974	10	20	CDCD	
CC[C@@H](NC[C@@H](O)CN1CCCC1)c1ccccc1O	775413244	ZEUUXDXDQVOTSG-UKRRQHHQSA-N	278.396	1.890	10	20	CDCD	
CS(=O)(=O)c1ccc(/C=C2\SC(=O)NC2=O)s1	874929811	QIPAYIATTTXIKU-XQRVVYSFSA-N	289.359	1.476	10	20	CDCD	
C[C@@H]1CCN(S(=O)(=O)NCc2ccccc2O)C1	778003421	LTXKJXOASNVKGQ-SNVBAGLBSA-N	270.354	1.068	10	20	CDCD	
CCN(C[C@@H](O)CO[C@H](C)COC)c1ccc(OC)cc1	773776062	LHIJBSTWIXMBJL-UKRRQHHQSA-N	297.395	1.934	10	20	CDCD	
COc1ccc(CNCCNC(=O)[C@H]2C[C@@H]2C)cc1C	1122927735	FKAVDPJJRRWPKD-FZMZJTMJSA-N	276.380	1.865	10	20	CDCD	
O=C(N[C@H]1CCn2ccnc2C1)c1cc(O)cs1	779449004	RZNMDVYFWOGDKE-QMMMGPOBSA-N	263.322	1.395	10	20	CDCD	
C[C@@]1(CNC(=O)NCc2ccc(N)cc2)CCCNC1	1120630437	ATDKCBGCMAFWBZ-OAHLLOKOSA-N	276.384	1.458	10	20	CDCD	
Nc1ccc(CNC(=O)NCCCC(=O)NC2CC2)cc1	1120480990	JZMAJNPPGAEBES-UHFFFAOYSA-N	290.367	1.127	10	20	CDCD	
CCc1cc(C(=O)OCC(=O)c2ccc(O)c(O)c2)n[nH]1	782726120	FFVJSPOKPRJQFR-UHFFFAOYSA-N	290.275	1.423	10	20	CDCD	
COc1cc(C)cc(CN(C)[C@@H](C)C[S@](C)=O)c1O	894453302	OCNSUYCMGNAMMT-WLRWDXFRSA-N	285.409	1.908	10	20	CDCD	
Oc1cc(Br)ccc1CNC[C@H]1COCO1	894890165	RFSKWLSZHQDFRX-JTQLQIEISA-N	288.141	1.617	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)NC[C@H]1C[C@H](N)C1	891566921	UKLICIKERWUURP-MQMHXKEQSA-N	290.411	1.598	10	20	CDCD	
COC(=O)[C@@H](CC(F)F)NCc1cc(F)cc(F)c1O	894538092	HCJPEGIMYXJCLL-SECBINFHSA-N	295.232	1.957	10	20	CDCD	
Cc1cccc(CN[C@@H](C)CC[S@](C)=O)c1O	164756117	QVKRTKZHAAWKGX-APPDUMDISA-N	255.383	1.947	10	20	CDCD	
CCCCn1nnnc1CN(C)c1ccc(N)cc1	702093017	WSCKWZWFUDSGDQ-UHFFFAOYSA-N	260.345	1.692	10	20	CDCD	
COc1cccc(O)c1CN[C@@H]1CCN(C)[C@@H](C)C1	742375017	KUHPGLPMUBVXQN-NWDGAFQWSA-N	264.369	1.973	10	20	CDCD	
C[C@@H](CN1CCOCC1)NCc1c(O)cccc1Cl	83551907	XRBVQRRGVUKZGY-NSHDSACASA-N	284.787	1.856	10	20	CDCD	
Cc1ccc(O)c(CNS(=O)(=O)N(C)[C@H](C)C2CC2)c1	1328770972	VNFVAMAJDWWJKG-LLVKDONJSA-N	298.408	1.765	10	20	CDCD	
Cn1ccnc1C(NCc1ccccc1O)c1nccn1C	1261829958	GPHHVMNIWXOLTQ-UHFFFAOYSA-N	297.362	1.738	10	20	CDCD	
Cc1cc(O)c(CN2CCN(C)C[C@H](C(=O)O)C2)cc1C	1600286141	LTXXMUKJIQSMKM-AWEZNQCLSA-N	292.379	1.457	10	20	CDCD	
O=C(O)[C@H]1C[C@@H](O)CN1Cc1c(O)ccc(Cl)c1F	1601771540	FZHIUCYHXRURIX-HZGVNTEJSA-N	289.690	1.205	10	20	CDCD	
O=C(O)CCCCCNC(=O)c1c(F)ccc(O)c1O	1608711661	HQKIMSRRSUADDW-UHFFFAOYSA-N	285.271	1.612	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC[C@H](C)C(=O)O)c1	1604821315	YBNYYZUWEJWXDP-DTWKUNHWSA-N	253.298	1.772	10	20	CDCD	
O=C(O)[C@@H]1CC[C@H]1C(=O)NCc1cccc(Cl)c1O	1606407747	JVEOHKLJMZQLPU-RKDXNWHRSA-N	283.711	1.773	10	20	CDCD	
C[C@H](CC(=O)O)N[C@H](C)c1cc([N+](=O)[O-])ccc1O	1609888674	PKRLMLJQUKNTIC-HTQZYQBOSA-N	268.269	1.814	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)NCCC(=O)O)c1	1610981404	FFJZXCSLZHBWHK-MRVPVSSYSA-N	267.281	1.304	10	20	CDCD	
Cc1ccc(O)c(CN[C@@H](C)C(=O)NC(C)C)c1	228933916	CUGUDPAYJAOKOV-NSHDSACASA-N	250.342	1.703	10	20	CDCD	
CCc1cccc(CN[C@](C)(COC)CC(=O)O)c1O	1597587089	OPAXZPKRCFJJJM-HNNXBMFYSA-N	281.352	1.924	10	20	CDCD	
CN(Cc1ccccc1O)c1ccnc(C(=O)O)n1	1598530347	AMSCYYBWJZNROX-UHFFFAOYSA-N	259.265	1.517	10	20	CDCD	
CN(C)C(=O)CNCc1cc(Br)ccc1O	163754383	LMQMLPXUKARKQJ-UHFFFAOYSA-N	287.157	1.333	10	20	CDCD	
Cc1ccc(O)c(CN(C2CC2)[C@H]2CCS(=O)(=O)C2)c1	157076449	KMOULMAKMVJMES-AWEZNQCLSA-N	295.404	1.852	10	20	CDCD	
CO[C@@H]1CCN(Cc2cc3c(cc2O)OCO3)C[C@@H]1C	824815657	WABLXNQKVJMWJI-GXFFZTMASA-N	279.336	1.978	10	20	CDCD	
COc1cccc(O)c1CN1CC[C@@H](N)[C@@H](C)C1	843051935	MYFNSAYZHWWWLZ-CMPLNLGQSA-N	250.342	1.570	10	20	CDCD	
Cc1ccc([C@H](C)NC[C@H]2CCCNC2=O)c(O)c1	840825327	DWHHFRDGZMTSJF-NWDGAFQWSA-N	262.353	1.877	10	20	CDCD	
COc1cccc(CN[C@@H](C)C(=O)N2CCCC2)c1O	134588906	COLWOLRDOPVFDY-NSHDSACASA-N	278.352	1.501	10	20	CDCD	
C[C@H]1C[C@H](NCc2cc3c(cc2O)OCO3)CO1	402350492	SDEZYRVTSMCDNH-WPRPVWTQSA-N	251.282	1.388	10	20	CDCD	
COCC(COC)N[C@H](C)c1ccc(F)cc1O	388489077	FODLQLDVABOQLM-SECBINFHSA-N	257.305	1.843	10	20	CDCD	
COc1cccc(CNC(=O)[C@@H]2CCCN2C)c1O	105650940	HZUHOZCGCYGIEN-NSHDSACASA-N	264.325	1.111	10	20	CDCD	
CN1CCN(c2ccc(CNCC3CC3)cc2)CC1	107797429	DPETWECZXQMVNL-UHFFFAOYSA-N	259.397	1.938	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)c1cc(C2CC2)[nH]n1	178424079	FTGJLQMVFZFKSX-UHFFFAOYSA-N	287.319	1.671	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)N[C@H]2CCOC2)c1	178765623	DFMFFPQGHJGVNE-ZJUUUORDSA-N	280.324	1.550	10	20	CDCD	
COCCN1CCN(Cc2ccc(N(C)C)cc2)CC1=O	181571896	BEYDLUMPYHTQCK-UHFFFAOYSA-N	291.395	1.043	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)C[C@@H]1COC(=O)C1	121236776	JWZSXXFAUAXQBN-LBPRGKRZSA-N	290.363	1.630	10	20	CDCD	
CC1(C)CN(C(=O)c2cccc(O)c2O)CCO1	126266380	WWOKRXFNYQNUEI-UHFFFAOYSA-N	251.282	1.349	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)c1cnc(S)[nH]1	186961444	HCGWPKMFXVGBPL-UHFFFAOYSA-N	263.322	1.676	10	20	CDCD	
CNC(=O)[C@@H]1CCCCN1Cc1cc2c(cc1O)OCO2	133055045	HCDXFZNIEQRJSY-NSHDSACASA-N	292.335	1.221	10	20	CDCD	
Cc1nccn1C[C@H](C)CNC(=O)Cc1ccc(N)cc1	237418915	NMLORTQLBKDYPU-GFCCVEGCSA-N	286.379	1.769	10	20	CDCD	
CN(C)CCOCCNCc1ccc2c(c1)CCO2	230004848	BMGVCRBVXOTVQW-UHFFFAOYSA-N	264.369	1.289	10	20	CDCD	
CCN(C[C@H]1CCCO1)C(=O)Cc1ccc(N)cc1	48952348	SOVMRHSFCPOYGJ-CQSZACIVSA-N	262.353	1.839	10	20	CDCD	
CN(C)c1ccc(CNCCN2CCC(O)CC2)cc1	294818548	KIANMBIDJLUXTP-UHFFFAOYSA-N	277.412	1.299	10	20	CDCD	
COC(=O)CCCN1CCOc2cc(N(C)C)ccc21	181121820	GDGWKHWITPIISN-UHFFFAOYSA-N	278.352	1.905	10	20	CDCD	
O=C(NCCN1CCSCC1)NCc1ccccc1O	264781112	BQGXFBKGAGVARL-UHFFFAOYSA-N	295.408	1.240	10	20	CDCD	
NC(=O)[C@H]1c2ccccc2CCN1Cc1ccccc1O	361053749	SPBYDMUOZSOQSJ-MRXNPFEDSA-N	282.343	1.977	10	20	CDCD	
C[C@H](NCCCN1CCC[C@@H]1C(N)=O)c1ccccc1O	272872622	OYQFVJOKDYIGBA-GXTWGEPZSA-N	291.395	1.383	10	20	CDCD	
CC[C@@H](CO)N[C@@H](C)c1cc([N+](=O)[O-])ccc1O	273415835	QWKONFHOOWVLRI-IUCAKERBSA-N	254.286	1.722	10	20	CDCD	
C[C@@H](CN[C@H](C)c1cc([N+](=O)[O-])ccc1O)N(C)C	273599745	RSNMVBLUBPUDPO-VHSXEESVSA-N	267.329	1.901	10	20	CDCD	
COC(=O)C[C@H]1COCCN1Cc1cccc(OC)c1O	377834054	IQXFMORTEUCAQB-LBPRGKRZSA-N	295.335	1.165	10	20	CDCD	
COc1ccc(N(C)Cc2nnc3n2CCOC3)cc1F	281402023	WJLCRNQIROSNFO-UHFFFAOYSA-N	292.314	1.592	10	20	CDCD	
CCN(C)C(=O)[C@@H](NCc1cccc(OC)c1O)C(C)C	294991212	HPBAHHNGDNOWJS-AWEZNQCLSA-N	294.395	1.993	10	20	CDCD	
OC/C=C/CNCc1ccc(Br)cc1O	717532809	QWPZWOZILAXVDJ-OWOJBTEDSA-N	272.142	1.793	10	20	CDCD	
C[C@H](O)CNCc1ccc(N2CCSCC2)cc1	818964237	OSWDRTDCHPECHR-LBPRGKRZSA-N	266.410	1.710	10	20	CDCD	
COC[C@H](O)CN[C@@H](C)Cc1ccc(N(C)C)cc1C	819377137	MZRSSONHKOBTEC-XJKSGUPXSA-N	280.412	1.589	10	20	CDCD	
COc1cc(CN2CC[C@H](C(=O)O)C2)c(O)cc1C	820763984	QFDKOPPHSSEHAP-JTQLQIEISA-N	265.309	1.616	10	20	CDCD	
COc1cccc(CNC[C@@H]2CCOC[C@@H]2OC)c1O	824707937	BSVDOEPSPAEGPS-FZMZJTMJSA-N	281.352	1.542	10	20	CDCD	
COc1cccc(CNCc2cnc(N(C)C)n2C)c1O	822482187	ZDTQVYOLZBSRPH-UHFFFAOYSA-N	290.367	1.490	10	20	CDCD	
CC[C@@H](Sc1ncc(C(=O)OC)s1)C(=O)OC	829677514	ALOMJAFRERFURD-ZCFIWIBFSA-N	275.351	1.973	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1ccnc(CN)c1	829764711	URGXIIZWHNELRP-UHFFFAOYSA-N	298.390	1.845	10	20	CDCD	
C[C@@H](NC(=O)Cc1ncc[nH]1)c1ccc(N(C)C)cc1	832431540	QIXFJDKXQUIBPA-LLVKDONJSA-N	272.352	1.896	10	20	CDCD	
COc1cc(O)c(CN2CC(C)(OC)C2)cc1OC	839101683	ONYYYMQMRBFAFV-UHFFFAOYSA-N	267.325	1.630	10	20	CDCD	
CCOc1ccc(CN2CCC[C@H]3CNC[C@H]32)c(O)c1	841027554	RTNMLGCNVFCBAJ-SWLSCSKDSA-N	276.380	1.975	10	20	CDCD	
C[C@@H](CN)CNC(=O)NCc1c(O)ccc2c1CCCC2	841963102	OWGJEDMCRDYMEQ-NSHDSACASA-N	291.395	1.665	10	20	CDCD	
Oc1ccc(Br)cc1CN[C@H]1CCCNC1	841043906	YZYXHDGQMRJUIP-NSHDSACASA-N	285.185	1.996	10	20	CDCD	
CCn1ccnc1CNC[C@@H](N)c1ccc(N(C)C)cc1	841041124	ADCVCIYJBHEBJD-OAHLLOKOSA-N	287.411	1.759	10	20	CDCD	
CC[C@@H](N)CNC(=O)NCc1ccc(N(C)C)cc1C	841823620	DRFNEOXFNMFMFC-CYBMUJFWSA-N	278.400	1.598	10	20	CDCD	
O=[N+]([O-])c1ccc(O)c(CN[C@@H](CO)CC2CC2)c1	754833704	LDAGGVJKRYVAQO-LLVKDONJSA-N	266.297	1.551	10	20	CDCD	
CCOc1ccc(CN[C@@H](CO)CC(F)F)c(O)c1	758613852	NZOUGGPFXZMGFD-SNVBAGLBSA-N	275.295	1.897	10	20	CDCD	
C[C@H](CN[C@H]1CCc2cccc(O)c21)S(C)(=O)=O	697567082	HJOIJCCCDUEDBA-KOLCDFICSA-N	269.366	1.402	10	20	CDCD	
CCC1(C(=O)NCc2cc(OC)ccc2O)COC1	755801991	BWEOXJHOTCZCCT-UHFFFAOYSA-N	265.309	1.444	10	20	CDCD	
CCOC(=O)CCCNC(=O)NCc1ccc(N)cc1	1336734679	ZFZRBPKAQYJPRY-UHFFFAOYSA-N	279.340	1.411	10	20	CDCD	
C[C@H](O)C1(NC(=O)/C=C\c2ccc(O)c(O)c2)CC1	856129057	PPWDUSIQGZDAJP-LVCFMKKZSA-N	263.293	1.141	10	20	CDCD	
CC[C@H](NC[C@@H]1COCCN1)c1ccc(N(C)C)cc1	863544664	AVTAJHJWDZIPEM-ZBFHGGJFSA-N	277.412	1.782	10	20	CDCD	
CN(C)c1cc(F)c(CN[C@@H]2COCC[C@H]2O)cc1F	864053407	JPWUZMOHMLSKRW-TZMCWYRMSA-N	286.322	1.270	10	20	CDCD	
Cc1nc(CC(=O)NCc2ccc(O)c(O)c2)cs1	768917319	JENPABQZVLGSGW-UHFFFAOYSA-N	278.333	1.722	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CCOC(=O)N2)c1	860243190	ZLZPWGICZCGSLY-GZMMTYOYSA-N	294.307	1.077	10	20	CDCD	
C[C@@H](N[C@@H]1CCOC[C@H]1O)c1ccc(Cl)cc1O	872140361	KVSCKVBMTBSYFA-XTWCZFFVSA-N	271.744	1.846	10	20	CDCD	
CCOc1ccc(CN2CCSC[C@@H]2CO)c(O)c1	877780116	KPFWARLFHCMPFI-LBPRGKRZSA-N	283.393	1.701	10	20	CDCD	
COc1ccc(O)c(CNC(=O)CC2COC2)c1	771627231	YJCVCFCHVGQHQL-UHFFFAOYSA-N	251.282	1.054	10	20	CDCD	
COc1cc(F)ccc1N1N=C(C(C)=O)CC1=O	871960209	WEFRGKUCTMMWHL-UHFFFAOYSA-N	250.229	1.516	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)C1=CCOCC1	771626851	CWWMNDQDZCOEMO-UHFFFAOYSA-N	263.293	1.103	10	20	CDCD	
C[C@@H](NCCCn1cc(CO)nn1)c1c(O)cccc1F	886612233	GQOVSEBCNJKJDO-SNVBAGLBSA-N	294.330	1.356	10	20	CDCD	
CNC(=O)C(C)(C)CN[C@@H](C)c1c(O)cccc1F	886562235	UEQQUKVNAGEVPP-VIFPVBQESA-N	268.332	1.954	10	20	CDCD	
CCOC1CC(CC(=O)NCc2ccc(O)c(O)c2)C1	789816963	TXBCREKBMBQYLP-UHFFFAOYSA-N	279.336	1.919	10	20	CDCD	
Cc1ccc(O)c(CN2CC[C@@H](C3OCCO3)C2)c1	896383748	DLQQVTJAQATGHY-GFCCVEGCSA-N	263.337	1.895	10	20	CDCD	
COc1ccc(CN[C@@H](C)[C@@H](C)OC)c(O)c1OC	893932924	LEZDBBMMJOXGGV-VHSXEESVSA-N	269.341	1.922	10	20	CDCD	
COc1ccc(CN2CCO[C@@H](CF)C2)c(O)c1OC	894887520	IABCRPOHAZRJDZ-NSHDSACASA-N	285.315	1.580	10	20	CDCD	
CCOCCOC[C@@H](O)CNCc1cc(F)ccc1O	792194933	BHTBEJDFGCIPJN-ZDUSSCGKSA-N	287.331	1.035	10	20	CDCD	
C[C@@H](CCNC(=O)c1cccc(O)c1O)N(C)C	697367693	KJKQIIQWUSRSBR-VIFPVBQESA-N	252.314	1.168	10	20	CDCD	
COc1cc(C)cc(CNC[C@@](C)(O)C2CC2)c1O	1331552941	LJYZBSQUJPJYKA-OAHLLOKOSA-N	265.353	1.960	10	20	CDCD	
O=C(N[C@@H](c1ncon1)C1CC1)c1cc(O)cs1	1347418362	JVNMTFPXFFKCKS-SECBINFHSA-N	265.294	1.718	10	20	CDCD	
CC[C@@H](C)N(C)CCNCc1cc2c(cc1O)OCO2	217387448	VWUNMWVYNBHFCP-LLVKDONJSA-N	280.368	1.941	10	20	CDCD	
CC(C)(O)C1CN(C(=O)NCc2ccc(N)cc2)C1	1357790647	FNSKGXXABMSVFE-UHFFFAOYSA-N	263.341	1.181	10	20	CDCD	
C[C@H](N[C@H](C)c1ncnn1C)c1cc(C(=O)O)ccc1O	1604323246	XHNFRHLSHISDJP-DTWKUNHWSA-N	290.323	1.631	10	20	CDCD	
COc1cccc(CNCc2cc(C(=O)O)no2)c1O	1607322968	UDKLWDFNDLYYPL-UHFFFAOYSA-N	278.264	1.377	10	20	CDCD	
Cc1cc(O)c(CN2C[C@@H](O)C[C@@H](C(=O)O)C2)c(Cl)c1	1600286288	NYHDTQVBLLFICS-ZJUUUORDSA-N	299.754	1.621	10	20	CDCD	
Cc1cc(C)c(O)c(CN2C[C@H]3[C@@H](C2)[C@@H]3C(=O)O)c1	1600163245	DTDBZXWSZXLMCD-ITGUQSILSA-N	261.321	1.771	10	20	CDCD	
CCOc1cccc(CN[C@@H](CF)C(=O)O)c1O	1610045616	YEUDMKKXENHQBT-VIFPVBQESA-N	257.261	1.303	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1C[C@@H](N)[C@@H]2C[C@H]12	1579616757	FQWZFVLQPGJODI-XUWVNRHRSA-N	287.407	1.661	10	20	CDCD	
C[C@H]1CN(Cc2ccc(F)c(F)c2O)[C@H](C)CN1	1576809261	RKGIMYTVSLOBBU-DTWKUNHWSA-N	256.296	1.853	10	20	CDCD	
C[C@H](N[C@H]1CCCOC1)c1cccc(-c2nn[nH]n2)c1O	1589978006	DVBYDKQENFLRAE-UWVGGRQHSA-N	289.339	1.402	10	20	CDCD	
CN(C[C@H](O)[C@H]1CCCO1)c1ccc(OCC(=O)O)cc1	1777049213	XAMYBZKUGLBLDG-UONOGXRCSA-N	295.335	1.126	10	20	CDCD	
COc1cccc(CNC(=O)c2cnn(C)c2C)c1O	161603246	KIFSWQISWVYUSH-UHFFFAOYSA-N	275.308	1.373	10	20	CDCD	
Cn1cnnc1NCc1ccc(N2CCOCC2)c(F)c1	162093511	KYLVCNCMPUIOTG-UHFFFAOYSA-N	291.330	1.403	10	20	CDCD	
CC[C@H]1C(=O)NCCN1Cc1cc(OC)c(OC)cc1O	160158675	ZJXGTFFXHICGGG-NSHDSACASA-N	294.351	1.120	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)CNC1CC1	154353356	FKRAWQWFPKBHGH-UHFFFAOYSA-N	262.353	1.883	10	20	CDCD	
CN1C[C@H](NCc2ccc3c(c2)CCCO3)CC1=O	921644381	PCNJASYXORNQGC-CYBMUJFWSA-N	260.337	1.332	10	20	CDCD	
C[C@H](Cn1ccnc1)NC(=O)Cc1ccc(N)cc1	36999360	FUFZNEXBBIAADW-LLVKDONJSA-N	258.325	1.213	10	20	CDCD	
CN1CCCC[C@H]1CNC(=O)Cc1ccc(N)cc1	44563046	KHCYMXAYQRMBGA-AWEZNQCLSA-N	261.369	1.412	10	20	CDCD	
CN=c1[nH]c(C(=O)NCc2ccccc2O)cs1	384763737	QPFCATIXBFAYJO-UHFFFAOYSA-N	263.322	1.242	10	20	CDCD	
COc1ccc(O)c(CNS(=O)(=O)Cc2ccon2)c1	119837269	OGJBDXLGEACQLQ-UHFFFAOYSA-N	298.320	1.008	10	20	CDCD	
COCC(C)(C)NCc1cc([N+](=O)[O-])ccc1O	66995986	CNEJLCILNIQVHF-UHFFFAOYSA-N	254.286	1.815	10	20	CDCD	
C[C@@H](O)CN[C@H](C)c1ccc(N2CCOCC2)c(F)c1	179586328	RWDISWPSBWUKKG-VXGBXAGGSA-N	282.359	1.694	10	20	CDCD	
Oc1ccccc1CN1CCC[C@H]1CN1CCOCC1	179562252	LPQUINVTVHRJFE-HNNXBMFYSA-N	276.380	1.689	10	20	CDCD	
Cc1ccc(C(=O)NCCN2CCC(C)CC2)c(O)c1O	177672168	BDUYOPRUNYMMNL-UHFFFAOYSA-N	292.379	1.868	10	20	CDCD	
CN(CC(=O)N1CCCCC1)c1ccc2c(c1)OCO2	121398928	NQEMGWWJVLXZFQ-UHFFFAOYSA-N	276.336	1.864	10	20	CDCD	
CCc1cc(C(=O)NCc2ccc(N(C)C)cc2)cc(=O)[nH]1	181169790	AHHRNBCCHHLHHF-UHFFFAOYSA-N	299.374	1.933	10	20	CDCD	
CCC(CC)(CO)CNC(=O)c1ccc(C)c(O)c1O	182896219	JQDOEEAVVOKPPU-UHFFFAOYSA-N	281.352	1.935	10	20	CDCD	
CS(=O)(=O)CCNCc1cc(Cl)ccc1O	37740541	XPSZTXBGAHSUPP-UHFFFAOYSA-N	263.746	1.180	10	20	CDCD	
CN(Cc1ccccc1O)c1cnn(C)c(=O)c1Cl	89635620	FAKXDOWJSYUBLC-UHFFFAOYSA-N	279.727	1.776	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)N[C@@H](C)CCO)c1	273609659	VLZCGQHXAYBXJI-VHSXEESVSA-N	267.325	1.600	10	20	CDCD	
CO[C@H](C)CN(C)C(=O)NCc1ccc(N(C)C)cc1	285468835	ASIOVRWGPQWWNO-GFCCVEGCSA-N	279.384	1.929	10	20	CDCD	
CC[C@@H]1CN(C(=O)c2cccc(O)c2O)C[C@H](C)[S@]1=O	287211144	IITIWSCIFICKPH-DCLVOVMVSA-N	297.376	1.469	10	20	CDCD	
CC[C@@H](NC[C@]1(O)CCOC1)c1ccc(F)cc1O	286154523	OZKNVDJRZDYFLN-TZMCWYRMSA-N	269.316	1.723	10	20	CDCD	
C[C@H]1NCC[C@@H]1C(=O)N1CCOc2cc(N(C)C)ccc21	563211216	SJSZMGQWWFXUNI-YPMHNXCESA-N	289.379	1.476	10	20	CDCD	
CN(C)c1ccc(CNc2ccc(-c3nn[nH]n3)nn2)cc1	825879898	RZBKRIVWIAUABB-UHFFFAOYSA-N	296.338	1.335	10	20	CDCD	
CC(C)NCCC(=O)N1CCOc2cc(N(C)C)ccc21	583324664	FKFOIFSSFYKOBF-UHFFFAOYSA-N	291.395	1.866	10	20	CDCD	
CCN1CCOC[C@H]1C(=O)N[C@H](C)c1ccccc1O	827941323	QHMSEXJLQSGXRW-YPMHNXCESA-N	278.352	1.290	10	20	CDCD	
O=C(NCCOCC(F)(F)F)c1c(F)ccc(O)c1O	824209828	YHSJXHAZAAHMOU-UHFFFAOYSA-N	297.204	1.546	10	20	CDCD	
C[C@@H](NC(=O)[C@@]1(C)CCNC1=O)c1ccc(N(C)C)cc1	822082973	RFACLFBEZKJOPN-BZNIZROVSA-N	289.379	1.456	10	20	CDCD	
Cc1cc(O)c(CN2CCO[C@@H](CC(=O)O)C2)cc1C	832898027	AXMAQRMNZDQKBH-ZDUSSCGKSA-N	279.336	1.685	10	20	CDCD	
COc1ccc(CNCc2ccc(C(=O)O)o2)c(O)c1	738008972	VECIUHAEYNVNEZ-UHFFFAOYSA-N	277.276	1.982	10	20	CDCD	
CCCOCC(=O)NC[C@H](N)c1ccc(N(C)C)cc1	832278512	DGTPSJYYUWZAON-AWEZNQCLSA-N	279.384	1.295	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(C)nn2)c1	839649015	CNCQHHVDJIDJGX-SNVBAGLBSA-N	287.319	1.990	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)C[C@H]1CCC(=O)N1C	830141494	VKDCTZUMBYDLKJ-GFCCVEGCSA-N	276.336	1.362	10	20	CDCD	
COCCNCCNCc1ccc(N(C)C)c(F)c1	841048211	NOVKRTMJBNPHEY-UHFFFAOYSA-N	269.364	1.217	10	20	CDCD	
CN1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1(C)C	848033999	TZOQNAGZARNMBZ-FNORWQNLSA-N	290.363	1.664	10	20	CDCD	
COc1cc(O)c(CN2CCN[C@H](C)[C@@H]2C)cc1OC	843057818	LVOCMMDCIYRZKL-MNOVXSKESA-N	280.368	1.592	10	20	CDCD	
COCC(COC)N1CCN(Cc2ccccc2O)CC1	840954652	LYRJLPDGBIBHFD-UHFFFAOYSA-N	294.395	1.171	10	20	CDCD	
Cc1ccc(C(=O)NC[C@@H]2C[C@@H](C)O[C@@H]2C)c(O)c1O	840517755	XAHJLXWUMMOSIT-MXWKQRLJSA-N	279.336	1.950	10	20	CDCD	
CCc1cccc(CN2CC[C@H](n3cncn3)C2)c1O	848903937	HEWYJCFWBPNCLO-AWEZNQCLSA-N	272.352	1.993	10	20	CDCD	
CC(C)C(=O)COC(=O)/C=C/c1ccc(O)c(O)c1	759594643	HTHQYNMDJWODHG-GQCTYLIASA-N	264.277	1.879	10	20	CDCD	
CCOCC(=O)NCc1ccc(N2CCC(O)CC2)cc1	856207948	CMXZSACHPCCITE-UHFFFAOYSA-N	292.379	1.300	10	20	CDCD	
Oc1ccccc1CN(Cc1cnon1)C[C@@H]1CCCO1	851840931	MCLDPDXGICVZTC-AWEZNQCLSA-N	289.335	1.956	10	20	CDCD	
Cc1ccc(C(=O)OCC(=O)NCC(C)C)c(O)c1O	750619659	SKKXEJRILJOMPK-UHFFFAOYSA-N	281.308	1.335	10	20	CDCD	
C[C@@H](NC(=O)NCCCC(=O)N(C)C)c1ccccc1O	868139135	YMJUVEHKGCRFIA-LLVKDONJSA-N	293.367	1.621	10	20	CDCD	
CCn1cc(C(=O)NCc2ccc(N(C)C)cc2C)nn1	932942522	FABONKZLXPEVNY-UHFFFAOYSA-N	287.367	1.602	10	20	CDCD	
COc1cccc(CNCCN(C)C(C)C)c1O	54110903	QCIXFDGIMRGDRK-UHFFFAOYSA-N	252.358	1.831	10	20	CDCD	
CCOc1cccc(CN[C@H]2C[C@@H](C(=O)O)C2)c1O	874046702	HTPNFGMCYXTCGW-PHIMTYICSA-N	265.309	1.744	10	20	CDCD	
CN(C)CC1(C(=O)NCc2ccc(N(C)C)cc2)CC1	873828760	FMJQEUWCEBVNOG-UHFFFAOYSA-N	275.396	1.711	10	20	CDCD	
C[C@H](NS(=O)(=O)[C@H]1CCOC1)c1ccc(N(C)C)cc1	773083896	KYLFYGZLRMYDPX-FZMZJTMJSA-N	298.408	1.522	10	20	CDCD	
CCCNC(=O)COC(=O)/C=C/c1ccc(O)c(O)c1	772769676	PIDAJHBZPFMVRT-GQCTYLIASA-N	279.292	1.180	10	20	CDCD	
CCN(CC)c1ccc(CNS(=O)(=O)NC(C)C)cc1	778611096	UNELUAGMXPHEHK-UHFFFAOYSA-N	299.440	1.865	10	20	CDCD	
CC(=O)NCC(=O)N[C@H](C)c1ccc(N(C)C)cc1	773011187	RASHDDALXIUNFV-SNVBAGLBSA-N	263.341	1.066	10	20	CDCD	
CC[C@@H](NC(=O)NCCc1ccc(O)c(O)c1)C(F)F	881013089	UBUUXSFGNLFJFL-SECBINFHSA-N	288.294	1.983	10	20	CDCD	
CNC(=O)CCNC(=O)N[C@H](C)c1ccc(N(C)C)cc1	776119022	ZHWJQOWCDKCRCS-LLVKDONJSA-N	292.383	1.249	10	20	CDCD	
CCO[C@H]1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)C1	885338722	JIZKTIVYKBUKGM-RNZFLTOJSA-N	277.320	1.748	10	20	CDCD	
Cc1ccc(C(=O)Nc2cc(C)n(C)n2)c(O)c1O	780993337	LWPMNEOQNUMWMU-UHFFFAOYSA-N	261.281	1.700	10	20	CDCD	
C[C@@H]1CCN(C(=O)NCc2ccc(N)cc2)C[C@@H]1CO	1120584561	NBVWXUXGFIBLHL-DGCLKSJQSA-N	277.368	1.429	10	20	CDCD	
CCOC[C@H](O)CN1CCCc2cc(CN)ccc21	700831739	MKPXXZSAVBWQMG-CQSZACIVSA-N	264.369	1.295	10	20	CDCD	
COc1ccc(CNC(=O)COCC2CC2)c(O)c1	794381032	IKNKUZKYRXMQJA-UHFFFAOYSA-N	265.309	1.444	10	20	CDCD	
CN[C@@H](C)CCNCc1cc(OC)c(OC)cc1O	1327414444	BXUQBDLUQZVZAE-JTQLQIEISA-N	268.357	1.497	10	20	CDCD	
C[C@H](NC(=O)NCc1ccc(N)cc1)c1cnn(C)c1	1336038545	ZMKGNJFBLPENEC-JTQLQIEISA-N	273.340	1.563	10	20	CDCD	
C[C@H](CCCN)NC(=O)NCc1ccc(N)cc1	1336974940	FOWHUGULRXNTHN-SNVBAGLBSA-N	250.346	1.195	10	20	CDCD	
COc1ccc(CNC[C@](C)(CC(=O)O)C(=O)O)cc1C	1332031993	GCVLBJQAQYFGDR-HNNXBMFYSA-N	295.335	1.659	10	20	CDCD	
O=C(O)[C@@H](CO)NCc1cc(Cl)cc(Cl)c1O	1262163859	KKFJDPISGWSAGH-MRVPVSSYSA-N	280.107	1.234	10	20	CDCD	
CC[C@H]1CN(C)CCN1C(=O)NCc1ccc(N)cc1	1353539936	QZWWAPMRJAQVNN-AWEZNQCLSA-N	276.384	1.504	10	20	CDCD	
C[C@@H](NCCCF)c1cccc(-c2nn[nH]n2)c1O	1589960876	JOHBRNYXJBLUSE-MRVPVSSYSA-N	265.292	1.583	10	20	CDCD	
CC(C)[C@@H](C(=O)O)C(=O)NCc1c(O)cccc1O	1588807844	HTPDWRNBGSAHFX-LLVKDONJSA-N	267.281	1.071	10	20	CDCD	
C[C@@H](CN[C@@H](C)c1cc([N+](=O)[O-])ccc1O)C(=O)O	1589067458	NCVVBVGQSNAYKO-YUMQZZPRSA-N	268.269	1.672	10	20	CDCD	
C[C@H](N[C@@H]1C=C[C@H](CO)C1)c1cc(C(=O)O)ccc1O	1593353368	UQCJUUZMNBXXSY-JBLDHEPKSA-N	277.320	1.678	10	20	CDCD	
COC[C@](C)(O)CCN[C@@H](C)c1cc(C(=O)O)ccc1O	1599157075	VVYQQIGBAHBLLT-ZUZCIYMTSA-N	297.351	1.529	10	20	CDCD	
CC(=O)c1cc(Cl)cc(CN2CC[C@@H]2CO)c1O	934027825	RZSPQNCKHXBNSO-LLVKDONJSA-N	269.728	1.815	10	20	CDCD	
Cc1cccc(O)c1CNCCOC[C@H]1CCCO1	877045620	YHUBZJFLZCKWRR-CYBMUJFWSA-N	265.353	1.986	10	20	CDCD	
COc1ccc(O)c([C@H](C)N[C@@H](C)C(=O)N(C)C)c1	36794239	CNTXMKCFECEOCA-UWVGGRQHSA-N	266.341	1.528	10	20	CDCD	
COc1cccc(CNCC2(CO)CCC2)c1O	184372159	UWFJXSVAFWEIRN-UHFFFAOYSA-N	251.326	1.653	10	20	CDCD	
CCOc1cccc(CNCc2cn(CC)nn2)c1O	404476772	XJMSFEUAYSWHEK-UHFFFAOYSA-N	276.340	1.692	10	20	CDCD	
COc1ccc(O)c(CN2CC[C@H](CC(N)=O)C2)c1	368131608	AWNGWLCSTQFXGG-SNVBAGLBSA-N	264.325	1.098	10	20	CDCD	
COc1cc(Cl)cc(CN(C)[C@@H]2CCNC2=O)c1O	761205086	QDRSYYXSTLXBJY-SNVBAGLBSA-N	284.743	1.375	10	20	CDCD	
CCNS(=O)(=O)NCc1ccc(N2CCCC2)cc1	171952462	BFFPJEJVAQGLNR-UHFFFAOYSA-N	283.397	1.231	10	20	CDCD	
CNC1CC(C(=O)N2CCOc3cc(N(C)C)ccc32)C1	1263103236	SXIRAZOGHGWYKY-UHFFFAOYSA-N	289.379	1.476	10	20	CDCD	
COc1cc(CNCc2cc3c(cc2O)OCO3)ccn1	60942038	KHSKKJCPOPSRPE-UHFFFAOYSA-N	288.303	1.814	10	20	CDCD	
C/C=C/C[C@@H](CO)NCc1cc([N+](=O)[O-])ccc1O	185811244	FTNPYPGWRMUFDC-VUDBWIFFSA-N	266.297	1.717	10	20	CDCD	
CCOCCONC(=O)NCc1ccc(N(C)C)c(F)c1	185761306	FMLJYGRJCIUMJN-UHFFFAOYSA-N	299.346	1.659	10	20	CDCD	
Cc1ccc(O)c([C@@H](C)NC[C@H](C)N2CCN(C)CC2)c1	185364147	RNCZTBBHTJNPRB-LSDHHAIUSA-N	291.439	1.987	10	20	CDCD	
COC(=O)[C@@H](NCc1cccc(Cl)c1O)[C@H](C)O	191962276	XQSZFWCLZNKIJH-XVKPBYJWSA-N	273.716	1.058	10	20	CDCD	
COC[C@@H](CNCc1ccc2c(c1)CCO2)OC	227705565	LSNOFGLMECVSFL-CYBMUJFWSA-N	251.326	1.373	10	20	CDCD	
COC(=O)[C@@H](NCc1cc(Cl)cc(C)c1O)[C@H](C)O	191958740	ZXEMBPBUTSMDHW-KWQFWETISA-N	287.743	1.366	10	20	CDCD	
CCOc1ccc(O)c(CN2C[C@H](C)O[C@H](CO)C2)c1	191534310	VLVLWRHWAOPQMC-FZMZJTMJSA-N	281.352	1.373	10	20	CDCD	
Cc1ccc([C@@H](C)NC[C@H]2COCCN2)c(O)c1	530228162	YCUHKWLPBQQEPF-NEPJUHHUSA-N	250.342	1.340	10	20	CDCD	
C[C@H](OC[C@@H]1CCCO1)C(=O)NCc1ccc(O)c(O)c1	272270468	DAVVOGMAXXTHGE-JQWIXIFHSA-N	295.335	1.298	10	20	CDCD	
CO[C@H](C)CN[C@H](C)c1cc([N+](=O)[O-])ccc1O	276983040	WGOWIZKMSYIOQC-RKDXNWHRSA-N	254.286	1.986	10	20	CDCD	
COc1ccc(O)c(CN2CC[C@H]3CCN(C)C[C@@H]32)c1	272587343	HHVLZHRCWVDHLO-DOMZBBRYSA-N	276.380	1.927	10	20	CDCD	
CC(=O)C[C@@H]1COCCN1C(=O)c1ccc(C)c(O)c1O	274796357	NVXFKLSCZKPKRL-LLVKDONJSA-N	293.319	1.226	10	20	CDCD	
Cc1cccc(CN2CC[C@@H]3NC(=O)OC[C@H]3C2)c1O	281122083	CCQZLBOOHLYJSR-OLZOCXBDSA-N	276.336	1.631	10	20	CDCD	
Cc1c(CN=c2[nH]nc(CO)s2)n(C)c2ccccc12	554536349	SCWPKAFHYRVYIU-UHFFFAOYSA-N	288.376	1.865	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@H]2C[C@@]23CCNC3)cc1F	372445538	KEWCIIBDISKLES-MLGOLLRUSA-N	291.370	1.508	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@](C)(O)C2CC2)cc1F	287016295	PUZAJOOFSAWZJA-HNNXBMFYSA-N	280.343	1.669	10	20	CDCD	
COC1CCN(c2ccc(CN3CC[C@@H](O)C3)cc2)CC1	295017000	UCCLLRPUDNKHIK-MRXNPFEDSA-N	290.407	1.868	10	20	CDCD	
CCCN(C)C(=O)C(=O)N(CCC)Cc1ccccc1O	298790558	RWRNTHHCNNXVHC-UHFFFAOYSA-N	292.379	1.999	10	20	CDCD	
COc1ccc(O)c(CN(C)[C@H](CO)COC(C)C)c1	809768246	GFIYZQGTURVMNY-CYBMUJFWSA-N	283.368	1.619	10	20	CDCD	
Cc1ccc(C(=O)NC[C@H](C)CN(C)C)c(O)c1O	293667975	GHHIRHCBRSUHAI-VIFPVBQESA-N	266.341	1.334	10	20	CDCD	
C[C@@H](NC[C@H](N)c1ccc(N(C)C)cc1)c1ccn(C)n1	817940119	FJZPVDAQUZGCIC-DOMZBBRYSA-N	287.411	1.837	10	20	CDCD	
Cc1ccc([C@@H](C)NC[C@@H]2CNCCO2)c(O)c1C	817983603	OOFIKZGLGXPUEF-OLZOCXBDSA-N	264.369	1.648	10	20	CDCD	
CO[C@H]1COCC[C@H]1CNCc1ccc2c(c1)CCO2	824709946	TUNJIXXLECZYLC-HOCLYGCPSA-N	277.364	1.763	10	20	CDCD	
C[C@@H](NC(=O)[C@H]1CC(=O)N(C2CC2)C1)c1ccccc1O	827923758	ZHCKRZSZWQAENL-MNOVXSKESA-N	288.347	1.580	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC[C@H]2CCNC(=O)CC2)c1	828682121	IRKYPAPFQJLGFI-NWDGAFQWSA-N	292.379	1.968	10	20	CDCD	
CCCN1C[C@H](C(=O)NCc2ccccc2O)CC1=O	839611967	LKBMUICMHGONHZ-GFCCVEGCSA-N	276.336	1.267	10	20	CDCD	
O=C(COC(=O)c1cc(O)cs1)Nc1ccc(O)cc1	732352603	ADCYJHVCRJOYGH-UHFFFAOYSA-N	293.300	1.955	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2cc([N+](=O)[O-])c[nH]2)c1	734006268	PIQCEUNSOGUMRX-UHFFFAOYSA-N	291.263	1.567	10	20	CDCD	
CN(C)c1ccc(CNc2cnc(-c3nn[nH]n3)cn2)cc1	736780168	OBQUSSXUJARAFE-UHFFFAOYSA-N	296.338	1.335	10	20	CDCD	
C[C@H]1CN(C(=O)/C=C\c2ccc(O)c(O)c2)CCO1	588403813	RRPZKLWWUQSBTR-ATPLWMGHSA-N	263.293	1.358	10	20	CDCD	
CCn1nnc(C)c1COC(=O)c1cccc(O)c1O	837647383	AWEAOZLFNDLRRZ-UHFFFAOYSA-N	277.280	1.375	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H](O)C(C)(C)C)c1	735857575	ANWZIIOXICMVRD-TVQRCGJNSA-N	281.352	1.985	10	20	CDCD	
O=C(CC1CCOCC1)NCc1ccc(O)cc1O	910950949	MAVFFISCJYJVGA-UHFFFAOYSA-N	265.309	1.531	10	20	CDCD	
CC(C)NC(=O)[C@H](C)N[C@H](C)c1cc([N+](=O)[O-])ccc1O	840891366	RIVGXKYTKDFFMD-ZJUUUORDSA-N	295.339	1.864	10	20	CDCD	
C[C@H](NC[C@H]1CCCNC1=O)c1cc([N+](=O)[O-])ccc1O	840825224	DECNYYUAVNDBLP-VHSXEESVSA-N	293.323	1.477	10	20	CDCD	
CO[C@@H]1CN(Cc2ccc(N(C)C)cc2C)C[C@H]1O	840950086	FDXKRJOZMLJKRS-HUUCEWRRSA-N	264.369	1.253	10	20	CDCD	
COc1cccc([C@H](C)NCC2(C)OCCO2)c1O	846159186	NKGCZPBTZMWDCQ-JTQLQIEISA-N	267.325	1.814	10	20	CDCD	
CC(C)[C@@]1(C)C[C@H]1NC(=O)C(=O)Nc1ccc(N)cc1	841141944	SFJVJUCBQUPSLO-IUODEOHRSA-N	275.352	1.758	10	20	CDCD	
Nc1ccc(CCNC(=O)NCCOCC2CCC2)cc1	841879077	XFPYHUONSKHKHW-UHFFFAOYSA-N	291.395	1.927	10	20	CDCD	
C[C@@H](NC(=O)NCC1(N)CCC1)c1ccc(N(C)C)cc1	841883237	UAPFQVATEUDPRN-GFCCVEGCSA-N	290.411	1.994	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@H](C(=O)O)C(C)C)c1	843329098	WPBLIEYXLVPCIC-TVQRCGJNSA-N	295.335	1.935	10	20	CDCD	
COc1ccc(N(C)CCN(C)CC(=O)N2CCC2)cc1	844399822	PJCIAAPRJPHNPC-UHFFFAOYSA-N	291.395	1.296	10	20	CDCD	
Cc1ccc(C(=O)N2CCC[C@H](CO)[C@@H]2C)c(O)c1O	840555568	AGTQOLAVHJUNOU-WDEREUQCSA-N	279.336	1.639	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CCO[C@H]1CN	852870211	BQQQJSIUTUIQMW-GJZGRUSLSA-N	291.395	1.041	10	20	CDCD	
CN(C)c1ccc(CNCc2nc(C(N)=O)cs2)cc1	850383997	HBLZWIOUKRKJLQ-UHFFFAOYSA-N	290.392	1.598	10	20	CDCD	
CCOCCNC(=S)NCc1ccc(N(C)C)c(F)c1	751006816	HWSHTLJBDUANBP-UHFFFAOYSA-N	299.415	1.892	10	20	CDCD	
Cc1ccc(C(=O)N2CCC[C@@H]2[C@@H](C)O)c(O)c1O	855870407	XWATVRGDAZIKJC-MWLCHTKSSA-N	265.309	1.392	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)Nc1ncnc2c1ncn2C	762800269	PZAOTDFEHKOJPU-VIFPVBQESA-N	299.334	1.818	10	20	CDCD	
CN(Cc1cscn1)Cc1cc2c(cc1O)OC[C@H]2O	768442852	OLYRYEIZIHDGBX-CYBMUJFWSA-N	292.360	1.907	10	20	CDCD	
CCN(CCN)Cc1cc(Cl)cc([N+](=O)[O-])c1O	863645248	TZNZDMIJCUIMEY-UHFFFAOYSA-N	273.720	1.734	10	20	CDCD	
CCn1cnc(C(=O)NCc2cc(C)ccc2O)c1	862754172	SUNGNOLACZHDLL-UHFFFAOYSA-N	259.309	1.847	10	20	CDCD	
CCO[C@@H](CC)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	773739844	FJXSUIUNGYDURB-HZMBPMFUSA-N	281.352	1.960	10	20	CDCD	
CN(C)c1noc(CNCc2cc(F)cc(F)c2O)n1	1119512661	GWOHGAZTGDDGBC-UHFFFAOYSA-N	284.266	1.409	10	20	CDCD	
CO[C@H]1CN[C@](C)(C(=O)NCc2ccc(N(C)C)cc2)C1	876713461	QDEOJRYPYIHMDT-ZBFHGGJFSA-N	291.395	1.136	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NOC2CCOCC2)cc1	773532162	OPTAOGWFPBSNDP-UHFFFAOYSA-N	293.367	1.662	10	20	CDCD	
CC(=O)OC[C@H](C)NCc1ccc(N2CCOCC2)cc1	892667920	DIPZMIPWHHSPKJ-ZDUSSCGKSA-N	292.379	1.564	10	20	CDCD	
COc1ccc(CNC(=O)c2cccn2C)c(O)c1	794379398	QYALTZMSKZZBGY-UHFFFAOYSA-N	260.293	1.669	10	20	CDCD	
COC(=O)C[C@H](NC(=O)c1cccc(O)c1O)C1CC1	790876722	ZXGWIKNJDLPFNQ-JTQLQIEISA-N	279.292	1.169	10	20	CDCD	
CCN(Cc1c(O)ccc(Cl)c1F)[C@@H]1CCNC1=O	799737738	MCMGBJZQICULKJ-SNVBAGLBSA-N	286.734	1.895	10	20	CDCD	
COc1cccc(O)c1CN[C@H]1CCn2ccnc2C1	778188116	RDYPRRKRXCAGJH-NSHDSACASA-N	273.336	1.702	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)c1cnc(C2CC2)[nH]1	1319905242	MAHIHJQRRTXRJV-UHFFFAOYSA-N	273.292	1.628	10	20	CDCD	
C[C@@H]1OCC[C@]1(C)NC(=O)NCc1ccc(N)cc1	1337017642	APYVASCDBNVANX-HZMBPMFUSA-N	263.341	1.636	10	20	CDCD	
CCO[C@H]1COCC[C@H]1NC(=O)NCc1ccc(N)cc1	1335554914	BWLIYFBCCUXKDE-KGLIPLIRSA-N	293.367	1.262	10	20	CDCD	
O=C(NCc1cccc(O)c1O)[C@@H]1CC1(Cl)Cl	1347233339	IQXMJDSCUTVRRJ-ZETCQYMHSA-N	276.119	1.908	10	20	CDCD	
CO[C@H](C1CC1)[C@H](C)NC(=O)NCc1ccc(N)cc1	1262582921	JRVJHGFAFZAJAI-HZMBPMFUSA-N	277.368	1.882	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)N[C@@H]2C[C@@H]3CC[C@H]2O3)c1	1342718734	RXZFOTINWMLMGP-OUCADQQQSA-N	276.336	1.820	10	20	CDCD	
O=C(C[C@H]1C[C@H]2CC[C@H]1O2)NCc1cccc(O)c1O	1352669763	LGBMPSKXMASILP-NQBHXWOUSA-N	277.320	1.672	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1C[C@@H](C(=O)O)C[C@@H](O)C1	1600236145	APSFDKMNDSRJPJ-DZGCQCFKSA-N	292.379	1.328	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2C[C@H]3CNC[C@@]3(C)C2)c1O	1575033087	DBJILJIIIINXOE-WBMJQRKESA-N	292.354	1.775	10	20	CDCD	
CCCN(CC(=O)O)C(=O)/C=C/c1ccc(O)c(O)c1	1589662283	AXKRGUQZAUYIHG-GQCTYLIASA-N	279.292	1.434	10	20	CDCD	
CO[C@@]1(C(=O)O)CCN(Cc2cccc(F)c2O)C1	1599078144	AKAQEXQLRPGHSA-ZDUSSCGKSA-N	269.272	1.207	10	20	CDCD	
CCN1CCc2cc(CNC[C@@H]3C[C@@H]3C(=O)O)ccc21	1776877704	FNXSDJRIWXNCPY-KBPBESRZSA-N	274.364	1.879	10	20	CDCD	
CCCN(C)S(=O)(=O)N(C)Cc1ccccc1O	159634449	KRPCFCZCZDVCJZ-UHFFFAOYSA-N	272.370	1.411	10	20	CDCD	
COc1cccc(O)c1CN1CC[C@H](CCN)C1	904406380	RNGNGRYNPZCZOY-NSHDSACASA-N	250.342	1.572	10	20	CDCD	
Oc1cc2c(cc1CN1CCO[C@H](CF)C1)OCO2	840171854	PVNNGURJHSEJNJ-SNVBAGLBSA-N	269.272	1.291	10	20	CDCD	
C[C@H](C[C@H]1CCC(=O)N1)NCc1ccc2c(c1)CCO2	924902119	XAIROYUHSWDFIQ-BXUZGUMPSA-N	274.364	1.768	10	20	CDCD	
C[C@@H](NCc1cc(Br)ccc1O)C(=O)O	235223171	KEGXSPNJWVHFRW-ZCFIWIBFSA-N	274.114	1.717	10	20	CDCD	
COC[C@@H](O)CNCc1ccc(N2CCCCC2)cc1	71266236	YKEZBUIQKFKOPE-INIZCTEOSA-N	278.396	1.774	10	20	CDCD	
CNC(=O)Cn1cc(NCc2c(O)cccc2Cl)cn1	83552366	HDRWHUPJYZDIHZ-UHFFFAOYSA-N	294.742	1.600	10	20	CDCD	
Cc1ccc(O)c([C@H](C)NC[C@H](C)S(C)(=O)=O)c1	697580767	WDTKMUQOOZPKDJ-QWRGUYRKSA-N	271.382	1.784	10	20	CDCD	
CCCS(=O)(=O)NCc1ccc(N(C)C)c(F)c1	58507274	MLYYOHBQNNMVND-UHFFFAOYSA-N	274.361	1.721	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N[C@H]2CCOC2)cc1	178783153	LBKRNVFLGKAMOG-LBPRGKRZSA-N	263.341	1.341	10	20	CDCD	
COc1cccc(CNC[C@@H]2CN3CCC[C@@H]3CO2)c1O	112839327	IIECCQHOAXMGTC-ZIAGYGMSSA-N	292.379	1.354	10	20	CDCD	
Nc1ccc(CC(=O)NCCCOCC(F)(F)F)cc1	178399572	CYOYCCNRHILYGE-UHFFFAOYSA-N	290.285	1.897	10	20	CDCD	
CCN(C)C(=O)CNC(=O)NCc1ccc(N(C)C)cc1	186207247	OKMHDWPVLNEOMK-UHFFFAOYSA-N	292.383	1.030	10	20	CDCD	
COC(=O)[C@@H](C)N[C@@H](C)c1ccc(N(C)C)cc1	42307478	YILFIIKGLBYVIV-WDEREUQCSA-N	250.342	1.965	10	20	CDCD	
Cc1cc(O)ccc1NS(=O)(=O)c1cn[nH]c1	80357797	XMRMRNKQEWAHNP-UHFFFAOYSA-N	253.283	1.225	10	20	CDCD	
O=C1CC(C(=O)NCCCSc2nccs2)C1	137058669	LHMMMPCHZZYKPB-UHFFFAOYSA-N	270.379	1.721	10	20	CDCD	
Cc1cc(O)ccc1NS(=O)(=O)N(C)C(C)C	80358046	DURHYUKUPZARJL-UHFFFAOYSA-N	258.343	1.698	10	20	CDCD	
C[C@H](CO)N(C)Cc1cc(Cl)cc([N+](=O)[O-])c1O	289432463	KXNQDSJCISIYQE-SSDOTTSWSA-N	274.704	1.766	10	20	CDCD	
CN(C)c1ccc(CN2CC[C@@](F)(CO)C2)cc1	802010807	HMKOLXBERLMAMJ-AWEZNQCLSA-N	252.333	1.659	10	20	CDCD	
O=C(CSC1CC1)NCc1ccc(O)c(O)c1	296498012	LMEKJNKSDVNKPJ-UHFFFAOYSA-N	253.323	1.610	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1NCC1(C)C	649347601	HOIPBTAWZRIZOF-CQSZACIVSA-N	289.379	1.476	10	20	CDCD	
C[C@@H]1CNCCN1Cc1cc(Br)ccc1O	722398634	OVVBREJLVPEBHM-SECBINFHSA-N	285.185	1.948	10	20	CDCD	
CN1CCN(c2ccc(CN(C)Cc3cnc[nH]3)cc2)CC1	826769767	QVFBZLMALNFUIY-UHFFFAOYSA-N	299.422	1.794	10	20	CDCD	
Cc1ncsc1/C=C\C(=O)N1CCn2nccc21	492833660	SORLOQYOTHOSAG-IHWYPQMZSA-N	260.322	1.708	10	20	CDCD	
O=C(Cc1cnc[nH]1)NCCCSc1nccs1	900683894	SJFXQVBIMUDWPK-UHFFFAOYSA-N	282.394	1.707	10	20	CDCD	
CCOc1ccc(O)c(CNC[C@@]2(C)CCC(=O)N2)c1	835060738	MWCRNEDZHCUVBP-OAHLLOKOSA-N	278.352	1.549	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](C)CC(N)=O	745827121	DEOIWRDBDJDDAM-LLVKDONJSA-N	292.383	1.124	10	20	CDCD	
Nc1ccc(CCNC(=O)NC[C@@H]2CCC[C@@H](O)C2)cc1	841955104	UTXJXPOXJUWRKC-UKRRQHHQSA-N	291.395	1.662	10	20	CDCD	
Cc1ccn(C[C@H](C)C(=O)NCc2ccc(O)cc2O)n1	910958073	WDFSQTHAJUPYBU-JTQLQIEISA-N	289.335	1.555	10	20	CDCD	
Nc1ccc(NC(=O)N[C@@H]2CC(=O)N(C3CC3)C2)cc1	841300392	QYSTVEJOHCJTDB-LLVKDONJSA-N	274.324	1.154	10	20	CDCD	
CCc1noc(CCCC(=O)NCc2ccccc2O)n1	748345084	HTIQTKRYKGHEJW-UHFFFAOYSA-N	289.335	1.977	10	20	CDCD	
CN(C(=O)/C=C\c1cnn(C)c1)c1ccc(C(N)=O)cc1	917860511	YFFFZCAMJFYPSW-BAQGIRSFSA-N	284.319	1.195	10	20	CDCD	
COc1cccc(O)c1CN[C@@H]1CCN(CC(F)F)C1	841893773	IZPWJIFTIOHBET-SNVBAGLBSA-N	286.322	1.830	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@H](C(=O)O)C(C)C)c1	911386684	FSLYZAQOWWONOU-GFCCVEGCSA-N	281.308	1.374	10	20	CDCD	
COc1ccc(CNC(=O)[C@H]2C[C@]23CCCNC3)c(O)c1	848429976	ZMUVRBUGMGGKCM-CJNGLKHVSA-N	290.363	1.407	10	20	CDCD	
C[C@@H](CNCc1cc(Br)ccc1O)C(=O)O	848637306	FFNKENQVLZHAJP-ZETCQYMHSA-N	288.141	1.965	10	20	CDCD	
Cc1ccc(C(=O)N2CCN(C)C(C)(C)C2)c(O)c1O	848033777	QBVAOGIKQRTTTL-UHFFFAOYSA-N	278.352	1.572	10	20	CDCD	
C[C@@H]1CCC[C@@H]1NC(=O)C(=O)Nc1ccc(N)cc1	841028271	ADLCWTRAJIRCEQ-SKDRFNHKSA-N	261.325	1.512	10	20	CDCD	
CCCN1CC(=O)N[C@H]1c1cc(Cl)ccc1O	840823332	WSDLMXCBLHNYIP-GFCCVEGCSA-N	254.717	1.886	10	20	CDCD	
Nc1ccc(Cc2nc(CSCC(=O)O)no2)cc1	843169137	JUYXCBPIMODBJV-UHFFFAOYSA-N	279.321	1.560	10	20	CDCD	
Cc1nccn1CC(=O)NCc1cc(Cl)ccc1O	857548512	MAJHZYNPSKGDPS-UHFFFAOYSA-N	279.727	1.867	10	20	CDCD	
CN1CCN(C(=O)/C=C/c2cn(C)cn2)c2ccccc21	932529586	STLGDDMPPNOPSS-BQYQJAHWSA-N	282.347	1.916	10	20	CDCD	
Cc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cnc1Cl	760213088	OMFGWXPXLMRNNX-UHFFFAOYSA-N	293.710	1.477	10	20	CDCD	
C[C@@H](NC(=S)NCCN(C)C)c1ccccc1O	865269247	FQHAZJJRNMANFB-SNVBAGLBSA-N	267.398	1.479	10	20	CDCD	
C[C@@H](N)CN(C)Cc1ccc(N2CCOCC2)c(F)c1	863653617	OJDKQPJNTKEWRU-GFCCVEGCSA-N	281.375	1.441	10	20	CDCD	
C[C@@H]1COCCCN1Cc1cc2c(cc1O)OC[C@H]2O	768462447	LMTKLDPXELFCSG-QMTHXVAHSA-N	279.336	1.429	10	20	CDCD	
O=C(CN1CCc2ccccc21)NCc1ccc(O)c(O)c1	768914445	VBSWXOXTAHFCQA-UHFFFAOYSA-N	298.342	1.777	10	20	CDCD	
COc1cccc(CNc2nnc(C)c(C)n2)c1O	775466278	VGLAXOVLMDEWKO-UHFFFAOYSA-N	260.297	1.815	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@]1(C)CCNC1=O	873860733	WHPIIVOTDBMVDL-MRXNPFEDSA-N	289.379	1.237	10	20	CDCD	
COC[C@@H](NCc1ccc(N(C)C)cc1)C(=O)OC	789575489	LZDOPNGBTIBXSO-CYBMUJFWSA-N	266.341	1.030	10	20	CDCD	
COc1ccc(CNC(=O)[C@H]2C[C@@H](C(=O)OC)C2)c(O)c1	1120646957	GODMKIYXOZEIDJ-PHIMTYICSA-N	293.319	1.216	10	20	CDCD	
COc1cc(C)cc(CNCc2nncn2C)c1O	894174470	ZNAVRIQOKCOLNZ-UHFFFAOYSA-N	262.313	1.128	10	20	CDCD	
CCn1cc(CNCc2ccc(OC)c(OC)c2O)nn1	895357241	BURAUDUIXDWDCI-UHFFFAOYSA-N	292.339	1.311	10	20	CDCD	
O=C(O)[C@@H]1C=C[C@H](NCc2cc(F)cc(F)c2O)C1	1339241088	MZTOUBIDSHDHCP-XCBNKYQSSA-N	269.247	1.789	10	20	CDCD	
CCC[C@@H]1CNCCN1C(=O)NCc1ccc(N)cc1	1262603714	SGCVAAIWVJEOFJ-CQSZACIVSA-N	276.384	1.552	10	20	CDCD	
COCCN(CC(=O)O)Cc1ccc(N2CCCC2)cc1	1606881657	SYGXRLXCNFXIEP-UHFFFAOYSA-N	292.379	1.820	10	20	CDCD	
O=C(NCc1c(O)cccc1O)c1ccnc(C(=O)O)c1	1601530712	QFKOLVTYFCZDKO-UHFFFAOYSA-N	288.259	1.121	10	20	CDCD	
CC(C)c1ccc(O)c(CN2CCC[C@H](O)[C@H]2C(=O)O)c1	1604002781	NJZIEYYYIOPNKK-GJZGRUSLSA-N	293.363	1.926	10	20	CDCD	
NC(=O)N=Nc1ccc(C(=O)NC2(CC(=O)O)CC2)cc1	1601156363	UEFHDAJWWMRDGX-UHFFFAOYSA-N	290.279	1.586	10	20	CDCD	
CC[C@@H](C)[C@H](NC(=O)CN(C)c1ccc(N)cc1)C(=O)O	1594887182	JQYRUSVPRVLXTH-YGRLFVJLSA-N	293.367	1.321	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)C(C)(C)C(=O)O	844246913	ZWZINBFODMKPQC-UHFFFAOYSA-N	251.282	1.461	10	20	CDCD	
Cc1ccc(CN2CCC[C@@H](NS(C)(=O)=O)C2)c(O)c1	876582150	ULHGPXRPIBFQLZ-CYBMUJFWSA-N	298.408	1.214	10	20	CDCD	
COc1ccc(CN[C@@H](C)CN2CCOCC2)cc1C	37273627	XXIYOECAFRUESR-AWEZNQCLSA-N	278.396	1.814	10	20	CDCD	
COc1ccc(CN[C@@]2(CO)CCOC2)cc1C	273468949	IVXQPMAYVOAWPD-CQSZACIVSA-N	251.326	1.245	10	20	CDCD	
CN1CCN(CCCNCc2c(O)cccc2Cl)CC1	90714263	ZFECRNRGZGNGLZ-UHFFFAOYSA-N	297.830	1.773	10	20	CDCD	
CC1(C)[C@@H](O)C[C@@H]1NCc1cc(F)cc(F)c1O	708435064	AUJUECXJHQQPSH-QWRGUYRKSA-N	257.280	1.919	10	20	CDCD	
COc1cccc(CNC[C@H](O)CC(C)C)c1O	227442233	UFRGISMWAFMGQT-GFCCVEGCSA-N	253.342	1.897	10	20	CDCD	
Cc1cc(C(=O)NCC[C@H](C)N)c(C)n1-c1ccccn1	178674885	VBJWIWYGCUTZNF-NSHDSACASA-N	286.379	1.956	10	20	CDCD	
CCCNC(=O)CN(C)c1ccc2c(c1)OCO2	121366755	VDQARNXMICRYCR-UHFFFAOYSA-N	250.298	1.378	10	20	CDCD	
Cc1ccc(C(=O)NCCc2nccs2)c(O)c1O	182260932	JGFQDCYJXCAYQU-UHFFFAOYSA-N	278.333	1.835	10	20	CDCD	
O=S1(=O)CCC[C@@H]1CNCc1cc(Cl)ccc1O	126887821	PBQXTELHGAJFEV-LLVKDONJSA-N	289.784	1.712	10	20	CDCD	
CCN(CCNC(=O)/C=C/c1ccc(O)c(O)c1)C1CC1	181034628	IRJABVNMOJVKPA-XBXARRHUSA-N	290.363	1.712	10	20	CDCD	
COC(=O)[C@H]1[C@H](O)CCCN1Cc1ccc(N(C)C)cc1	188789486	BGTGUNVUAKPHLT-HUUCEWRRSA-N	292.379	1.251	10	20	CDCD	
CSC[C@@](C)(O)CNCc1cccc(C)c1O	182430669	WEFHFZFENFCGCO-ZDUSSCGKSA-N	255.383	1.904	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NCC(OC)OC)c1	37566528	NINBGIVKYBIMGJ-SECBINFHSA-N	255.314	1.670	10	20	CDCD	
C[C@H](O)[C@H]1CCN(Cc2cc3c(cc2O)OCO3)C1	180870024	TWSIMHDGCLABGH-UWVGGRQHSA-N	265.309	1.324	10	20	CDCD	
COC(=O)[C@H]1C[C@@H](O)CN1Cc1cc(Cl)ccc1O	187569343	UOECOFYSRYGQQA-GHMZBOCLSA-N	285.727	1.154	10	20	CDCD	
C[C@H](NC[C@@H]1CCCS(=O)(=O)C1)c1ccccc1O	284235051	VGJHSWXFUYFUIN-RYUDHWBXSA-N	283.393	1.868	10	20	CDCD	
CCN(CC)C[C@@H]1CCN(C(=O)c2cccc(O)c2O)C1	193107008	NKPPYISQYIQPRP-LBPRGKRZSA-N	292.379	1.902	10	20	CDCD	
CN(C)c1ccc(CNC[C@@H]2CN3CCC[C@H]3CO2)cc1	252667607	MHUDNJVWODOPHY-DLBZAZTESA-N	289.423	1.705	10	20	CDCD	
CN(C)c1ccc(CNC2(CO)CCC2)cc1F	268981741	QZMDVHQJBLCDJA-UHFFFAOYSA-N	252.333	1.896	10	20	CDCD	
COC(=O)N1CC(NCc2c(O)cccc2Cl)C1	269286136	MFGAVOCANUVLIB-UHFFFAOYSA-N	270.716	1.586	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN(CC(N)=O)C(C)C)c1O	278291659	UVDKPYSFLVVPPN-UHFFFAOYSA-N	297.311	1.005	10	20	CDCD	
CCn1nc(C)c(C(=O)NCc2cccc(OC)c2O)n1	293829021	XGDUHGJPDCOAAF-UHFFFAOYSA-N	290.323	1.251	10	20	CDCD	
CCOc1ccc(N(CC)CC(=O)N2CCNC2=O)cc1	299398996	LLPFTGBLNGWXLV-UHFFFAOYSA-N	291.351	1.463	10	20	CDCD	
CC(=O)C(=O)COC(=O)C1(c2ccccc2)CCC1	808491997	UUFNVDOFAANJGV-UHFFFAOYSA-N	260.289	1.810	10	20	CDCD	
CCNC(=O)NC(=O)CN(CC)c1ccc(OC)cc1	299333707	COAKDSQPWJKBLE-UHFFFAOYSA-N	279.340	1.367	10	20	CDCD	
C[C@H](CCCCO)NC[C@@H](N)c1ccc(N(C)C)cc1	817942570	PPIPTBDQWJPRRF-CZUORRHYSA-N	279.428	1.893	10	20	CDCD	
COc1ccc(O)c(CNc2nccc(CO)n2)c1	811805259	ODVPMKOGFIYBPG-UHFFFAOYSA-N	261.281	1.295	10	20	CDCD	
CN(C)c1ccc(CNCc2ccc(-c3nn[nH]n3)o2)cc1	821589535	RYKJQXYETUTCBD-UHFFFAOYSA-N	298.350	1.816	10	20	CDCD	
COc1cc(O)c(CN[C@@H](C)C2(CO)CC2)cc1OC	826990861	OVKPMDMLFNKZED-JTQLQIEISA-N	281.352	1.660	10	20	CDCD	
Cc1cnc2c(c1)N(C(=O)/C=C/c1cn(C)cn1)CCO2	904076032	NJMICZPJJBSTDH-ONEGZZNKSA-N	284.319	1.562	10	20	CDCD	
O=C(NCc1ccccc1O)N[C@@H]1CC12CCOCC2	836612456	KURWFJCRVOIGNP-CYBMUJFWSA-N	276.336	1.761	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)NCc2cn(C)cn2)c1	903351540	LTVZANKNVIDCHP-JTQLQIEISA-N	289.335	1.763	10	20	CDCD	
COc1ccc(N2CC[C@H](CNC(=O)C[C@H](C)N)C2)cc1	831752824	FLPQDNGVKYDWSK-QWHCGFSZSA-N	291.395	1.375	10	20	CDCD	
CC(C)NC(=O)[C@@H](C)NC(=O)/C=C/c1ccc(O)c(O)c1	840546176	DCYSNUSZGKFQHD-BREXMAIKSA-N	292.335	1.140	10	20	CDCD	
COc1cc(O)c(CN(C[C@H](C)O)C2CC2)cc1OC	848928452	DPCBRHGKQAIGIH-JTQLQIEISA-N	281.352	1.755	10	20	CDCD	
CN[C@@H](C)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	848411828	CXUMMPJGNYQADX-OLZOCXBDSA-N	291.395	1.308	10	20	CDCD	
C[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2ccc(N)cc2)C1	841095099	AFFFNWLIMUTXND-BXKDBHETSA-N	261.325	1.512	10	20	CDCD	
C[C@H](CCO)N(C)Cc1ccc(N2CCOCC2)c(F)c1	846111306	OCCIQCUAFWNDBD-CYBMUJFWSA-N	296.386	1.865	10	20	CDCD	
CCOc1ccc(CN2C[C@@H](C)NC[C@H]2C)c(O)c1	843119941	PIWLZBFBCCSSBN-VXGBXAGGSA-N	264.369	1.973	10	20	CDCD	
CCc1cccc(CN2CCN(C[C@@H](C)O)C[C@@H]2C)c1O	848907889	KGSGNHUQWFKLPY-UONOGXRCSA-N	292.423	1.842	10	20	CDCD	
COC(=O)[C@@H]1CN(C)CCN(Cc2cccc(C)c2O)C1	840959496	WSACEUQDZDWIFU-CQSZACIVSA-N	292.379	1.237	10	20	CDCD	
CCOCc1cc(CNCC(F)(F)CN)ccc1OC	841059897	LHOZPOZHBKOBFN-UHFFFAOYSA-N	288.338	1.915	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)NC[C@@H]1CCN1C	925403074	JYWQZBOOOJYJRL-LBPRGKRZSA-N	263.341	1.238	10	20	CDCD	
Cn1cnnc1NCc1ccc(N2CCC(O)CC2)cc1	922177376	OEWGQRGUZHEWIM-UHFFFAOYSA-N	287.367	1.388	10	20	CDCD	
O=C(O)c1coc(CNCc2cc([N+](=O)[O-])ccc2O)c1	756305851	BQDHSLUUMXOVRI-UHFFFAOYSA-N	292.247	1.881	10	20	CDCD	
COCCCOCCC(=O)NCc1ccc(N(C)C)cc1	854271451	HOUJJKQFPBGJQW-UHFFFAOYSA-N	294.395	1.812	10	20	CDCD	
C[C@@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)N(C)C	750015939	WXXVUDLGDLFTPG-LBPRGKRZSA-N	263.385	1.661	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1nn(C)cc1C	935945139	MBJQQEHESARIDC-UHFFFAOYSA-N	294.351	1.850	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)CCc2cnccn2)c1	862755118	DOIPFENHNQGEIS-UHFFFAOYSA-N	271.320	1.740	10	20	CDCD	
Fc1cc(CN2CCCOCC2)ccc1N1CCOCC1	768888798	MPIQMGNMWNNQHT-UHFFFAOYSA-N	294.370	1.885	10	20	CDCD	
COc1cccc(CNC(=O)NC[C@H]2CC(C)=NO2)c1O	875972255	TULYOGWJFLTYFC-LLVKDONJSA-N	293.323	1.365	10	20	CDCD	
C[C@H](NC(=O)C1(C(N)=O)CCC1)c1ccc(N(C)C)cc1	775402731	GHVVIQBBXSWCLN-NSHDSACASA-N	289.379	1.585	10	20	CDCD	
COCCCNC(=O)CN[C@H](C)c1ccccc1O	879649671	SEKKZKSZGIKYGS-LLVKDONJSA-N	266.341	1.196	10	20	CDCD	
Oc1c(F)cc(F)cc1CNCC[C@]1(O)CCCOC1	883158916	VGUULQSOCKJRSO-CQSZACIVSA-N	287.306	1.692	10	20	CDCD	
CCn1cccc(CNCc2ccccc2O)c1=O	788524751	SXWNRMMMQBKXJU-UHFFFAOYSA-N	258.321	1.864	10	20	CDCD	
CC1(C)CNC(=O)[C@@H]1NCc1ccc2c(c1)CCCO2	895433374	LMJXOPLBYBEMBY-AWEZNQCLSA-N	274.364	1.626	10	20	CDCD	
CCOc1ccc(O)c(CN2C[C@@H](O)[C@H](C)C2)c1	897684688	VEXIDDYYVOLFPN-QMTHXVAHSA-N	251.326	1.604	10	20	CDCD	
Oc1ccc(Cl)c(F)c1CNC[C@H]1COCO1	894879517	ZTINQMMWANEVGA-ZETCQYMHSA-N	261.680	1.647	10	20	CDCD	
OCc1nnc(NCc2c(O)ccc(Cl)c2F)o1	787789239	LGCWMAQIDBZENC-UHFFFAOYSA-N	273.651	1.672	10	20	CDCD	
COc1cc(C)cc(CNCCC[C@H](C)O)c1O	894590165	YIAIJOXSHZBIOY-NSHDSACASA-N	253.342	1.960	10	20	CDCD	
COc1ccc(CNC(=O)Cc2ccncc2C)c(O)c1	794376050	BAEGMEUCTQGVOS-UHFFFAOYSA-N	286.331	1.963	10	20	CDCD	
Cn1cc2c(n1)CCC[C@@H]2C(=O)NCc1ccccc1O	798980470	QMJNJRQVCUVRBI-LBPRGKRZSA-N	285.347	1.862	10	20	CDCD	
COC(=O)[C@@H](C)NCc1cc(Cl)cc(F)c1O	793357336	HVAPMNKZCBOUOX-ZCFIWIBFSA-N	261.680	1.836	10	20	CDCD	
CCOC(=O)c1cnc(SCCC(=O)NC)s1	399252414	NBMGDCFUIKHQGB-UHFFFAOYSA-N	274.367	1.548	10	20	CDCD	
COc1ccc(CNC(=O)[C@@H]2[C@H]3CCCO[C@H]32)c(O)c1	794377326	RTEXBVASXOPUNO-MRVWCRGKSA-N	277.320	1.442	10	20	CDCD	
O=C(NCCN1Cc2ccccc2C1)c1cccc(O)c1O	790590798	SUMYPPVEBSIHDK-UHFFFAOYSA-N	298.342	1.843	10	20	CDCD	
COc1cccc(O)c1CN1CCN2C(=O)CC[C@H]2C1	769208077	UNELGEGXLNEDBA-NSHDSACASA-N	276.336	1.207	10	20	CDCD	
CC[C@](C)(O)CNCc1ccc(N2CCOCC2)cc1	96478676	UXHUHXGESJJZBR-INIZCTEOSA-N	278.396	1.774	10	20	CDCD	
Cc1cc(C)n(CC(=O)NCc2ccccc2O)n1	133766804	YJYGXPUVGXZYHL-UHFFFAOYSA-N	259.309	1.522	10	20	CDCD	
O=C(NCCCSc1nccs1)[C@@]1(F)CCOC1	1326067121	VVJZXBHYSHJJFX-LLVKDONJSA-N	290.385	1.870	10	20	CDCD	
CN1CCC[C@@H](CN(C)C(=O)NCc2ccc(N)cc2)C1	1337017723	DDUDDDBYEBJSDQ-CQSZACIVSA-N	290.411	1.752	10	20	CDCD	
CC(C)(NC(=O)Cc1ccc(N)cc1)C(=O)N1CCCC1	1333273823	UJSGFBNQQMVVAT-UHFFFAOYSA-N	289.379	1.329	10	20	CDCD	
CC1=NO[C@@](C)(C(=O)NCc2cc(C)ccc2O)C1	1336036485	XHORHKRGIGGLHW-CQSZACIVSA-N	262.309	1.872	10	20	CDCD	
C[C@H]1Cn2nc(C(=O)Nc3ccc(N)cc3)cc2CN1	1335262968	FOBHTQMTCGISQO-VIFPVBQESA-N	271.324	1.209	10	20	CDCD	
CS(=O)(=O)NC[C@@H]1CCCN(Cc2ccc(N)cc2)C1	1337834354	QGIVAOVVADRMKL-ZDUSSCGKSA-N	297.424	1.030	10	20	CDCD	
CCOc1ccc(O)c(CN2C[C@H]3[C@@H](C2)[C@@H]3C(=O)O)c1	1610042541	JBPKYCFJBKGWME-IMRBUKKESA-N	277.320	1.553	10	20	CDCD	
Nc1ccc(CC(=O)Nc2nc(CC(=O)O)cs2)cc1	1610649403	ZYJYTHGATCOEHE-UHFFFAOYSA-N	291.332	1.534	10	20	CDCD	
Nc1ccc(CNS(=O)(=O)CCc2cccs2)cc1	1580446584	BFOAXUKEDCVOFC-UHFFFAOYSA-N	296.417	1.992	10	20	CDCD	
C[C@@H](N[C@H](CO)CC1CC1)c1cc(C(=O)O)ccc1O	1593207877	FDAKYOXBIUVRDA-SKDRFNHKSA-N	279.336	1.902	10	20	CDCD	
O=C(O)[C@]1(NCc2ccc3c(c2)CCO3)CC[C@@H]2C[C@@H]21	1777600133	JAKQKQKUNNVSFL-FFSVYQOJSA-N	273.332	1.964	10	20	CDCD	
CCN1CCc2cc(CNCCSCC(=O)O)ccc21	1776877292	KBRSFDOYAVABNI-UHFFFAOYSA-N	294.420	1.976	10	20	CDCD	
COc1cccc(O)c1CN1CCC2(CCNCC2)C1	843120203	VKSMNSISNZOKSZ-UHFFFAOYSA-N	276.380	1.976	10	20	CDCD	
COc1cc(N(C)CC[C@@H](C)O)c([N+](=O)[O-])cc1OC	161836514	DTWBDSXJBDBHFI-SECBINFHSA-N	284.312	1.819	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CC[C@@H]([C@@H](C)O)C2)c1O	167856444	RBOJPAFBIXXIQW-MWLCHTKSSA-N	281.327	1.937	10	20	CDCD	
CCOc1cccc(CN[C@@H](CO)CCOC)c1O	282122571	FQYYHRIRNRVCCQ-GFCCVEGCSA-N	269.341	1.278	10	20	CDCD	
COc1ccc(CNC[C@H]2CN(C)CCN2C)cc1C	68801817	OOZNREODAGRRSX-HNNXBMFYSA-N	277.412	1.339	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@H]2C[C@@H](F)CN2)cc1	707519695	PGUVZDQYQXKLTN-DGCLKSJQSA-N	265.332	1.069	10	20	CDCD	
CC(C)N(C)CC(=O)NCc1ccc(N(C)C)c(F)c1	57558024	CIYPSDQLCLESSD-UHFFFAOYSA-N	281.375	1.848	10	20	CDCD	
Cc1ccc(O)c(CN2CCC[C@@H]2C(=O)NC2CC2)c1	179490273	SCOAMNKPHGXDSC-CQSZACIVSA-N	274.364	1.944	10	20	CDCD	
COc1ccc(O)c(CNC(=O)NC[C@@H]2CCCO2)c1	114581196	IMSSJAPYNGNXSV-LBPRGKRZSA-N	280.324	1.379	10	20	CDCD	
CN(Cc1ccccc1O)c1nc(O)c2cn[nH]c2n1	302603243	CRINOPGFNUMGQV-UHFFFAOYSA-N	271.280	1.401	10	20	CDCD	
Cc1nc(C(=O)NCc2ccc(N(C)C)c(F)c2)no1	123176829	HPQDJYPLTXCXDK-UHFFFAOYSA-N	278.287	1.513	10	20	CDCD	
C[C@H](N[C@H]1CC(=O)N(C2CC2)C1)c1ccc(F)cc1O	186088470	HBJGEBBCUWHCNW-ONGXEEELSA-N	278.327	1.945	10	20	CDCD	
COC(=O)[C@@H](C)NCc1cc(Cl)cc([N+](=O)[O-])c1O	193093292	RKHOPFNEEBSIFG-ZCFIWIBFSA-N	288.687	1.605	10	20	CDCD	
CC1(C)[C@H](NC(=O)Cc2ccc(N)cc2)[C@@H]2CCO[C@H]21	246186807	CRWQJEYYLGSQDS-NWANDNLSSA-N	274.364	1.741	10	20	CDCD	
CC[C@@H](C(=O)NCc1ccccc1O)N1CCCC1=O	266613796	ULRQTGSEIIHWJL-LBPRGKRZSA-N	276.336	1.409	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@]1(O)CCSC1	274972157	WGFXGMKHNULQGT-YMTOWFKASA-N	297.376	1.013	10	20	CDCD	
CN1CC[C@@H](N(C)Cc2ccc(N(C)C)c(F)c2)C1=O	271206597	SEACXKBZSMCWBG-CQSZACIVSA-N	279.359	1.554	10	20	CDCD	
COc1ccc(O)c([C@@H](C)N[C@@H](C)Cn2cncn2)c1	273364277	BBQTUSFAZCXCEH-WDEREUQCSA-N	276.340	1.732	10	20	CDCD	
CC(C)C[C@H](CO)NC(=O)c1c(F)ccc(O)c1O	276517026	BYGPZOZONMQMIU-MRVPVSSYSA-N	271.288	1.374	10	20	CDCD	
CN(Cc1ccccc1O)C[C@H]1CCNC(=O)CC1	294858617	CXVPIZLMWKCZSM-GFCCVEGCSA-N	262.353	1.740	10	20	CDCD	
O=C(NCc1nc2cccnc2[nH]1)c1cc(O)cs1	802613094	GBUGXLUEGGQTTR-UHFFFAOYSA-N	274.305	1.655	10	20	CDCD	
Cc1cc(CNC2(CO)CCOCC2)ccc1N(C)C	293034295	JGJUGZKZXAPYIF-UHFFFAOYSA-N	278.396	1.692	10	20	CDCD	
Cc1ccc(C(=O)NOCCC2CC2)c(O)c1O	817446900	WLULEDMYDTUDML-UHFFFAOYSA-N	251.282	1.868	10	20	CDCD	
COc1ccc(N2CC[C@@H](CN[C@@H](C)CC(N)=O)C2)cc1	818345923	YCZBHTOQWBCXKV-STQMWFEESA-N	291.395	1.375	10	20	CDCD	
C[C@@H]1CC(=O)NCCN1Cc1cc(Cl)c(F)cc1O	816612597	UCNXGFLWHCCVKH-MRVPVSSYSA-N	286.734	1.895	10	20	CDCD	
CNC(=O)C[C@H](C)NCc1cc(C)c(C)cc1O	825067959	HLLSHIVBTKGDGG-NSHDSACASA-N	250.342	1.623	10	20	CDCD	
O=C(c1c(F)ccc(O)c1O)N1CC(OCC(F)F)C1	826625481	XELWPIWCQKBHRC-UHFFFAOYSA-N	291.225	1.343	10	20	CDCD	
CO[C@@H]1CN(Cc2c(O)cccc2Cl)C[C@H]1O	825017324	PAYVZTLLGOMGOC-VXGBXAGGSA-N	257.717	1.237	10	20	CDCD	
CCOC(=O)NCCC(=O)N[C@H](C)c1ccccc1O	827922971	FYDWXMCSURLAIA-SNVBAGLBSA-N	280.324	1.706	10	20	CDCD	
C[C@H](NC(=O)Cc1cnc[nH]1)c1ccc(N(C)C)cc1	907491113	ADXWDSWDEXPWSI-NSHDSACASA-N	272.352	1.896	10	20	CDCD	
CO[C@@H]1CCOC[C@H]1N[C@@H](C)c1cc([N+](=O)[O-])ccc1O	903300430	ZMBYHCXGCYTNPX-MRCXROJRSA-N	296.323	1.755	10	20	CDCD	
C[C@@]1(CNC(=O)NCc2ccccc2O)CCOC1	733645990	NPRBKMIJKQAWMI-AWEZNQCLSA-N	264.325	1.618	10	20	CDCD	
Cc1n[nH]cc1C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1	832278913	GIOMUXLPJJYTKK-CQSZACIVSA-N	287.367	1.214	10	20	CDCD	
C[C@@H](NC(=O)[C@@H]1CCNC1=O)c1ccc(N(C)C)cc1	832430527	FXHLQXDYMAKUFF-ZWNOBZJWSA-N	275.352	1.066	10	20	CDCD	
CCN(CCOCCN)c1ccc(OC)c(OC)c1	843357491	NKDPPJSWTOKPAM-UHFFFAOYSA-N	268.357	1.505	10	20	CDCD	
COc1cc(O)c(CNC[C@H](N)C(C)C)cc1OC	841029054	FACZFSPRAZDVEL-NSHDSACASA-N	268.357	1.482	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN[C@@H](C)C[S@](C)=O	840938761	GSLKAGLXTZSSIP-SGTLLEGYSA-N	268.426	1.918	10	20	CDCD	
Oc1c(F)cccc1CN1CC[C@]2(CCCN2)C1	841105257	DIXYBRCAEBLCPO-CQSZACIVSA-N	250.317	1.859	10	20	CDCD	
CSCC[C@H](N)CC(=O)Nc1ccc(N)cc1	911660991	QREHJSUGVAILDN-JTQLQIEISA-N	253.371	1.678	10	20	CDCD	
CCc1cccc(CN(C)CCCC(=O)NC)c1O	848888997	FHIMHTFHCSCZCQ-UHFFFAOYSA-N	264.369	1.913	10	20	CDCD	
Nc1ccc(CCNC(=O)NOC2CCCC2)cc1	841869937	FKVSKDHWTIRIJC-UHFFFAOYSA-N	263.341	1.985	10	20	CDCD	
CC(=O)c1cc(Cl)cc(CN(C)CCN)c1O	842478803	KEDISAFCMPEOQK-UHFFFAOYSA-N	256.733	1.639	10	20	CDCD	
O=C(COC(=O)c1cccc(O)c1O)NCC1CCC1	758572342	KZSKWLLRMOGDKR-UHFFFAOYSA-N	279.292	1.171	10	20	CDCD	
C[C@@H]1C[C@H](NCCN2CC[C@H](O)C2)c2c(O)ccc(F)c21	858601078	BJFPSVWJTNVURJ-MDZLAQPJSA-N	294.370	1.736	10	20	CDCD	
COCCOC[C@H]1CCN(Cc2ccc(N)cc2)C1	1336117502	NZDHHSCHYLCYEI-AWEZNQCLSA-N	264.369	1.754	10	20	CDCD	
COc1ccc2c(c1)CCCN2Cc1nncn1C	750518668	QERRVMOXZKNNOE-UHFFFAOYSA-N	258.325	1.777	10	20	CDCD	
CC(C)(C)OC(=O)C(C)(C)NC(=O)c1cccc(O)c1O	863376334	WMZIXYUAZQJFAD-UHFFFAOYSA-N	295.335	1.948	10	20	CDCD	
C=CC(=O)N(C)CC(=O)N[C@@H](C)c1ccc(N(C)C)cc1	860950310	LQRRIXNUNFJCNO-LBPRGKRZSA-N	289.379	1.574	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)OC1CCOCC1	867416330	AJZAAPWNFXKWLO-UHFFFAOYSA-N	267.281	1.503	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)CCc2ncc[nH]2)c1	862755235	FDCACTBATPEQIF-UHFFFAOYSA-N	259.309	1.673	10	20	CDCD	
C[C@@H](N)CN(C)Cc1cc(Cl)cc([N+](=O)[O-])c1O	863654027	SFZVTHNPKBMMFJ-SSDOTTSWSA-N	273.720	1.733	10	20	CDCD	
OCCCCN1CCN(Cc2cccc(Cl)c2O)CC1	775690545	PEMOLGWGUGQKCJ-UHFFFAOYSA-N	298.814	1.936	10	20	CDCD	
COc1cc(C)cc(CN2C[C@@H](O)C[C@@H]2C)c1O	894538345	JUJABSXTXCVHCO-JQWIXIFHSA-N	251.326	1.664	10	20	CDCD	
COc1cc(C)cc(CNCC2(CO)CCC2)c1O	894444142	FLCRZFGJDGDUSM-UHFFFAOYSA-N	265.353	1.961	10	20	CDCD	
C[C@@H]1CN(CCN[C@H](C)c2ccccc2O)CCO1	783507662	DJLPPFWOJDRNIF-CHWSQXEVSA-N	264.369	1.764	10	20	CDCD	
CC[C@H](COC)NCc1ccc(OC)c(OC)c1O	893024198	SJUAUWVQMUKTOL-LLVKDONJSA-N	269.341	1.924	10	20	CDCD	
CCOc1ccc(CN2CC[C@@](C)(C(=O)NC)C2)c(O)c1	797605458	RINZMGXWLWVPCV-MRXNPFEDSA-N	292.379	1.749	10	20	CDCD	
COc1cccc(CNCC(C)(C)S(C)(=O)=O)c1O	93522943	IVVAUGOJLLDLDC-UHFFFAOYSA-N	287.381	1.314	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1nc[nH]n1	95039958	NZUZXPOQNMJLDN-UHFFFAOYSA-N	273.340	1.533	10	20	CDCD	
C[C@H]1CN(C(=O)NCc2ccc(N)cc2)CC[C@@H]1O	1335727080	YLUHVWJSFPIFFL-GWCFXTLKSA-N	263.341	1.181	10	20	CDCD	
CC(C)OC(=O)[C@H](C)CNC(=O)NCc1ccc(N)cc1	1335516630	ABPFKHFLJLMUNA-LLVKDONJSA-N	293.367	1.656	10	20	CDCD	
COc1ccc(CNC[C@@]2(C)CCOC2)c(O)c1OC	1333685283	PAQHYINXZPDWJO-OAHLLOKOSA-N	281.352	1.926	10	20	CDCD	
COC(=O)NC1CN(Cc2cccc(Cl)c2O)C1	1261297622	IKGOIJKUVIBMRJ-UHFFFAOYSA-N	270.716	1.586	10	20	CDCD	
Cn1c(CN2Cc3cccc(O)c3C2)ccc1C(=O)O	1608088355	ZKGVEYDDOMOATB-UHFFFAOYSA-N	272.304	1.945	10	20	CDCD	
C[C@@H]1CN(C(=O)c2cc(O)cs2)CC[C@H]1C(=O)O	1603453882	NDKMLSKJIYIKLT-VXNVDRBHSA-N	269.322	1.637	10	20	CDCD	
CC(C)NC(=O)CN[C@@H](C)c1cc(C(=O)O)ccc1O	1603899103	AVEXVCWPLGKAPY-VIFPVBQESA-N	280.324	1.266	10	20	CDCD	
CC[C@H](C)N(CC(=O)O)C(=O)c1ccc(C)c(O)c1O	1604959980	BBVZDOAGNWJMKV-VIFPVBQESA-N	281.308	1.732	10	20	CDCD	
CNCC(=O)NCCc1cc(C)n(-c2ccccc2)c1C	1578615990	BVIRXJCVGVMYSS-UHFFFAOYSA-N	285.391	1.972	10	20	CDCD	
O=C(Cc1ccc(O)c(O)c1)N1CCC[C@]2(CCNC2)C1	1580570333	YYAWFRQUDUCWGS-MRXNPFEDSA-N	290.363	1.242	10	20	CDCD	
Cc1ccc(CNC2CCN(CC(=O)O)CC2)c(O)c1	1594361214	JUGBGJZCRLQKKP-UHFFFAOYSA-N	278.352	1.339	10	20	CDCD	
CN(C)c1ccc(CNC[C@@H](O)CN(C)C2CC2)cc1	818942018	VUZZQYXZGSRSEJ-MRXNPFEDSA-N	277.412	1.297	10	20	CDCD	
Cc1ccc([C@@H](C)NC[C@@H]2CCCNC2=O)c(O)c1	840825324	DWHHFRDGZMTSJF-NEPJUHHUSA-N	262.353	1.877	10	20	CDCD	
COC[C@H](CO)N[C@H]1C[C@@H](C)c2c(C)ccc(O)c21	234845627	WRWNBUZOGIMEPI-WOPDTQHZSA-N	265.353	1.846	10	20	CDCD	
Cc1ccc(CNCC2CCS(=O)(=O)CC2)c(O)c1	877122171	KHXZLEHGAXRILM-UHFFFAOYSA-N	283.393	1.615	10	20	CDCD	
CC(C)(CO)CCCNC(=O)c1cccc(O)c1O	185858774	XJEQFQFEMKITKR-UHFFFAOYSA-N	267.325	1.626	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@]2(C)CCCNC2)cc1	62859181	JPOVICPGNXELBE-MRXNPFEDSA-N	275.396	1.759	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@H]1CCC[C@H](N)C1	70576702	CVSRTVLGTLYWNJ-AAEUAGOBSA-N	262.353	1.868	10	20	CDCD	
Cn1nnnc1NCc1cccc(Br)c1O	309550279	FPQYZJPANMTSGK-UHFFFAOYSA-N	284.117	1.290	10	20	CDCD	
CO[C@@H](C1CC1)[C@H](C)NC(=O)c1cccc(O)c1O	388281557	MRXMXSLXWAIGGD-ISVAXAHUSA-N	265.309	1.641	10	20	CDCD	
CN(Cc1c(O)cccc1Cl)[C@H]1CCNC1=O	770381711	PIXVYZOBWXODCJ-JTQLQIEISA-N	254.717	1.366	10	20	CDCD	
Cc1c(S(=O)(=O)N[C@H](C)c2ccccc2O)cnn1C	867835376	YETVPLZUHVPEAX-SECBINFHSA-N	295.364	1.474	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)c1cnc2ccccc2n1	178443158	ZLOGYGRGJKSIBL-UHFFFAOYSA-N	295.298	1.971	10	20	CDCD	
O=[N+]([O-])c1ccc(O)c(CNC[C@]2(O)CCSC2)c1	176756883	NQTBBQXWMMCNAB-GFCCVEGCSA-N	284.337	1.258	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)[C@H]1COc2ccccc2C1	178445160	RYSCHAJWPHDXKA-CYBMUJFWSA-N	299.326	1.965	10	20	CDCD	
CCCN(CCN1C(=O)CNC1=O)Cc1ccccc1O	170779234	PPLSEPFCPHNTPX-UHFFFAOYSA-N	291.351	1.156	10	20	CDCD	
O=C(O)[C@H]1CCCN1C(=O)/C=C/c1ccc(O)c(O)c1	210698912	QXEBSJWHWIIVGU-DFVUYQKZSA-N	277.276	1.187	10	20	CDCD	
CS[C@@H](C)CNC(=O)/C=C/c1ccc(O)c(O)c1	181250620	XILKEUSCLINTAS-DNQSNQRASA-N	267.350	1.979	10	20	CDCD	
C[C@@H](CS(C)(=O)=O)NCc1cccc(Cl)c1O	124814573	ZXBRXVSLEMAAPC-QMMMGPOBSA-N	277.773	1.568	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(O)nc1	186409214	FIODCSNVUAHYOV-VIFPVBQESA-N	288.303	1.559	10	20	CDCD	
COC(=O)[C@H](C)OC(=O)/C=C\c1ccc(O)c(O)c1	210081489	JPYSNLQAUPVIKT-HORMHSFOSA-N	266.249	1.216	10	20	CDCD	
COc1cc(N(C)CC(=O)O)c([N+](=O)[O-])cc1OC	214226825	IQAVQDBVYSWCDX-UHFFFAOYSA-N	270.241	1.133	10	20	CDCD	
CCOC(=O)CN(C)Cc1cc(F)cc(C(C)=O)c1O	79403797	PDEIEZCEBXRFEL-UHFFFAOYSA-N	283.299	1.729	10	20	CDCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2N[C@@H]1COC[C@H]1O	323161642	JENYJBAVVXDNEL-MEWQQHAOSA-N	263.337	1.598	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)C(F)(F)C(F)F	179685089	FUUJGVGWHQMBBU-UHFFFAOYSA-N	281.205	1.657	10	20	CDCD	
CCOc1cccc(CN2CC[C@](F)(C(=O)OC)C2)c1O	93887619	WNQOJUVKPHWHHW-OAHLLOKOSA-N	297.326	1.878	10	20	CDCD	
CCOc1ccc(O)c(CN2CC[C@@](F)(C(=O)OC)C2)c1	93888126	QQTGWGKDWJDOPW-HNNXBMFYSA-N	297.326	1.878	10	20	CDCD	
C[C@@H](NC[C@]1(O)CCOC1)c1cc([N+](=O)[O-])ccc1O	273344749	AKOLQKZYCMSVFU-NOZJJQNGSA-N	282.296	1.102	10	20	CDCD	
C[C@@H]1C(=O)CC[C@@H]1CC(=O)NCc1ccc(O)c(O)c1	279707647	ALZSQSFIOZJWKS-GXSJLCMTSA-N	277.320	1.719	10	20	CDCD	
CC(=O)C(=O)CS(=O)(=O)c1ccc(C)c(C)c1	289524935	DMTPGIQFKFVAPO-UHFFFAOYSA-N	254.307	1.235	10	20	CDCD	
CCOC(=O)[C@H](C)[C@@H](C)NC(=O)c1cccc(O)c1O	286066307	MDNWLCKXOHQNEO-RKDXNWHRSA-N	281.308	1.415	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N2CCC[C@H](O)CC2)cc1	296556582	KHOSMFLBNUVUBY-HNNXBMFYSA-N	291.395	1.809	10	20	CDCD	
Nc1ccc(CCNC(=O)[C@]23CCC[C@@H]2CNC3)cc1	294999889	ICXQAPVNTVYLRK-CJNGLKHVSA-N	273.380	1.317	10	20	CDCD	
CC(C)[C@@]1(CO)CCCN(C(=O)c2cccc(O)c2O)C1	294730548	LPCVLAWEINCXKG-INIZCTEOSA-N	293.363	1.969	10	20	CDCD	
CCNC(=O)[C@@H](NCc1ccccc1O)C(C)C	292944599	KBXUXVKWZOUPFR-ZDUSSCGKSA-N	250.342	1.643	10	20	CDCD	
COc1ccc(O)c([C@H](C)NCCC(=O)N(C)OC)c1	808743998	SYZUUBSLGVRVDS-JTQLQIEISA-N	282.340	1.461	10	20	CDCD	
CCCCN(C)C[C@@H](C)NC(=O)c1cccc(O)c1O	290736973	ZEMDSLBOOJLONV-LLVKDONJSA-N	280.368	1.948	10	20	CDCD	
Cn1ccc(CCC(=O)NCCc2ccc(O)c(O)c2)n1	815834186	WVDHMFKNJKTPOD-UHFFFAOYSA-N	289.335	1.123	10	20	CDCD	
C[C@H](NC(=O)c1c(F)ccc(O)c1O)[C@H]1CCCOC1	828081082	MOTYGKCHWOVABC-IUCAKERBSA-N	283.299	1.782	10	20	CDCD	
O=C(NC[C@@H]1CCC=CO1)c1c(F)ccc(O)c1O	829668061	PLRBKVICMKNVMR-QMMMGPOBSA-N	267.256	1.659	10	20	CDCD	
COc1cc(O)c(CN(CC(=O)O)C(C)C)cc1OC	820774689	FMFJZQGBZYLYCU-UHFFFAOYSA-N	283.324	1.704	10	20	CDCD	
COc1cc(CN(C)[C@H](C)C(=O)O)c(O)cc1C	820763815	DGGGDHLZMLICRY-SECBINFHSA-N	253.298	1.614	10	20	CDCD	
C[C@@H]1OC(=O)N[C@H]1C(=O)N[C@H](C)c1ccccc1O	827941143	NTWSYLTYAYKAET-VHSKPIJISA-N	264.281	1.066	10	20	CDCD	
Cc1cc(CN[C@H](CO)[C@@H]2CCCOC2)ccc1N(C)C	839648602	CRICSSLPDIFHFC-HZPDHXFCSA-N	292.423	1.938	10	20	CDCD	
O=C(c1c(F)ccc(O)c1O)N1CC[C@@H](CCCO)C1	839791260	GJBJOAAIKRMNKM-SECBINFHSA-N	283.299	1.472	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCO[C@@H]1C(F)(F)F	912081424	QBAOOMCBMJJAJU-MRVPVSSYSA-N	267.228	1.815	10	20	CDCD	
O=[N+]([O-])c1cc(CNCCO)ccc1N1CCCCC1	743503767	UHLVMULXOPTRQY-UHFFFAOYSA-N	279.340	1.667	10	20	CDCD	
Cc1cc(O)c(CN2CC(S(C)(=O)=O)C2)cc1C	841887540	RSJDVDLZYVVSPU-UHFFFAOYSA-N	269.366	1.238	10	20	CDCD	
CCC(CC)(CO)C(=O)NCc1ccc(OC)cc1O	848023338	NXYUALKOQOVZFA-UHFFFAOYSA-N	281.352	1.816	10	20	CDCD	
CC(C)C[C@@H](C)NC(=O)C(=O)Nc1ccc(N)cc1	841075206	YBWJBWFPYPGUII-SNVBAGLBSA-N	263.341	1.758	10	20	CDCD	
CCCCS(=O)(=O)NC[C@@H](N)c1ccc(N(C)C)cc1	842783715	BPJYVXNJUVLOCM-CQSZACIVSA-N	299.440	1.472	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@@H](CO)CCF)c1	846210372	ZIWKYPWKFGIASL-GXSJLCMTSA-N	285.315	1.550	10	20	CDCD	
COC(=O)CCN(C(=O)Cc1ccc(N)cc1)C(C)C	843494990	XXQSQWGGFPUEPY-UHFFFAOYSA-N	278.352	1.611	10	20	CDCD	
CCN[C@H](C)CNCc1cccc(OCC)c1O	841065969	OYCVGHZKIMPXHG-LLVKDONJSA-N	252.358	1.879	10	20	CDCD	
CN(Cc1cc(Cl)cc([N+](=O)[O-])c1O)C1CNC1	843124686	JQRTZPOFNZVNJA-UHFFFAOYSA-N	271.704	1.357	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N2CCC[C@@H](N)C2)cc1F	841758500	BRIFFRNHYIEHRF-GFCCVEGCSA-N	294.374	1.524	10	20	CDCD	
COc1cc(NS(=O)(=O)N2C[C@H]3CC[C@H]2C3)ccc1O	844663748	YLVABKZQOWTJKX-ONGXEEELSA-N	298.364	1.542	10	20	CDCD	
CN[C@@H]1CCN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1	841882334	JKGCNLYWPDAJSK-GXTWGEPZSA-N	290.411	1.817	10	20	CDCD	
COc1ccc(N2CCC(N[C@@H]3CCNC3)CC2)cc1	841045220	PMIFJOPQKFJRQJ-CQSZACIVSA-N	275.396	1.616	10	20	CDCD	
CN[C@@H]1CCN(C(=O)NCc2ccc(N(C)C)cc2C)C1	841827373	MVHFINLDOJIOFG-CQSZACIVSA-N	290.411	1.564	10	20	CDCD	
C[C@@H](O)CN(C)c1ccc(/C=C/C(=O)O)cc1[N+](=O)[O-]	844207194	BZJPXCDXKMVLMR-OTQAPUNGSA-N	280.280	1.510	10	20	CDCD	
Oc1cc2c(cc1CNCCC[C@@H]1CCCN1)OCO2	841072384	JDJRLVQMFLWQET-GFCCVEGCSA-N	278.352	1.743	10	20	CDCD	
Cc1cnc(COC(=O)/C=C\c2ccc(O)c(O)c2)cn1	759594405	NHCGUZMCULYAEM-HYXAFXHYSA-N	286.287	1.953	10	20	CDCD	
C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NCc1ccccc1O	757663533	CBVROKSKVSKPSN-RISCZKNCSA-N	289.379	1.674	10	20	CDCD	
O[C@@H](CNCc1ccc2c(c1)CCCO2)C1CCOCC1	921760717	JUZJTSHPDYFKKT-INIZCTEOSA-N	291.391	1.889	10	20	CDCD	
CCn1cnc(C(=O)NCc2ccc(N(C)C)cc2)c1	854271109	WOUKDLQRUFJNML-UHFFFAOYSA-N	272.352	1.899	10	20	CDCD	
COCCC(=O)COC(=O)/C=C/c1ccc(O)c(O)c1	759595166	IXAAIEQTLFLXCQ-HWKANZROSA-N	280.276	1.260	10	20	CDCD	
CO[C@@H](C)CNC(=O)NCc1cc(C)ccc1O	858611650	MNRUFVUXTZRJCY-JTQLQIEISA-N	252.314	1.535	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)NC[C@H]2COCCO2)c1	756435068	URYUVVGEMJCPNC-JQWIXIFHSA-N	295.335	1.245	10	20	CDCD	
CCOc1ccc(CNC[C@H]2C[C@@H](O)C2)c(O)c1	858295989	HXEPUICAAJRGOR-KLPPZKSPSA-N	251.326	1.651	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H](NC=O)C(C)C	935945350	UKJZDRKWPMTVFW-ZDUSSCGKSA-N	299.367	1.265	10	20	CDCD	
CO[C@@H]1CCOC[C@H]1NCc1cc([N+](=O)[O-])ccc1O	934041096	UOCHMKHBMZBALU-DGCLKSJQSA-N	282.296	1.194	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)C1CSC1	935945296	SCCWOWJRJKZNOR-UHFFFAOYSA-N	272.366	1.857	10	20	CDCD	
C[C@H]1CN(Cc2ccc(N3CCOCC3)cc2)C[C@@H]1O	930160585	SCMVVLNQQAIOPP-BBRMVZONSA-N	276.380	1.336	10	20	CDCD	
C[C@@H](NC(=O)Cc1nc[nH]n1)c1ccc(N(C)C)cc1	867504725	ZDNKAAWEKRQOBN-SNVBAGLBSA-N	273.340	1.291	10	20	CDCD	
COCCNC(=S)N[C@@H](C)c1ccc(N(C)C)cc1	774259311	WCUITCFHIMCSSH-NSHDSACASA-N	281.425	1.924	10	20	CDCD	
C[C@@H](NCC(=O)NC(=O)NC1CC1)c1ccccc1O	879649123	MHFFZIZBGLDQCO-SECBINFHSA-N	277.324	1.031	10	20	CDCD	
CN(C)CCN(C)Cc1ccc(N2CCOCC2)cc1	781976918	XAVRTQFRINFICO-UHFFFAOYSA-N	277.412	1.517	10	20	CDCD	
NC(=O)[C@H]1CCCN1Cc1cc(F)cc(F)c1O	894908092	XZZJWIMAHPXSQY-SNVBAGLBSA-N	256.252	1.120	10	20	CDCD	
O=C(NC[C@H]1CCCCN1)N1Cc2cccc(O)c2C1	891970368	FYLMHDAKMUUGSN-GFCCVEGCSA-N	275.352	1.560	10	20	CDCD	
Oc1ccc(F)cc1CN1CCc2ncncc2C1	895722021	BJDCCNUAVQCXDQ-UHFFFAOYSA-N	259.284	1.880	10	20	CDCD	
COc1ccc(CNC(=O)c2ccc(C(N)=O)o2)c(O)c1	794380466	ZTGRIAZRIRPWKK-UHFFFAOYSA-N	290.275	1.023	10	20	CDCD	
C[C@H]1CN(C(=O)c2cc(O)cs2)C[C@@H](C)[S@]1=O	792515020	MCEFTYXTXISWDP-CPDUPQDHSA-N	273.379	1.435	10	20	CDCD	
COc1ccc(O)c(CNC(=O)NC[C@H]2CCSC2)c1	790739597	ITJNTXALGDQECV-SNVBAGLBSA-N	296.392	1.953	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2C[C@H]3COC[C@H]3C2)c1O	718146920	VSAAXYBSZJQTOB-TXEJJXNPSA-N	279.311	1.812	10	20	CDCD	
Cc1ccc(C(=O)OC[C@@H](O)C(C)C)c(O)c1O	1327117090	RHQMAJGIZMTFBB-SNVBAGLBSA-N	254.282	1.580	10	20	CDCD	
CCNCCNCc1ccc(N2CCN(C)CC2)c(F)c1	1327416474	SVPBTTFDWUUEFV-UHFFFAOYSA-N	294.418	1.277	10	20	CDCD	
CO[C@@H](C)C(=O)Nc1c(Cl)ccc2nonc12	1323459283	SVTHIQJDMMWHMN-YFKPBYRVSA-N	255.661	1.850	10	20	CDCD	
CC[C@H](C)[C@H](C)NC(=O)C(=O)N(C)Cc1ccccc1O	1323055950	GCAVWCYKJSACRA-RYUDHWBXSA-N	292.379	1.901	10	20	CDCD	
C[C@H]1CCN1C(=O)C(=O)NCCCSc1nccs1	1331506402	XIJKIVGNHPGYKX-VIFPVBQESA-N	299.421	1.362	10	20	CDCD	
C[C@@H](NC(=O)N[C@H]1CCOC1=O)c1ccc(N(C)C)cc1	1348761144	HOEHPGXIVYZTJF-MFKMUULPSA-N	291.351	1.428	10	20	CDCD	
Nc1ccc(CNC(=O)N[C@@H]2CCc3n[nH]cc3C2)cc1	1353378486	PQNCLHDQWLDROW-CYBMUJFWSA-N	285.351	1.349	10	20	CDCD	
CN(C)c1ccc(CN(C)c2nccc(C(=O)O)n2)cc1	1606053850	CCYYXHLHCGDVML-UHFFFAOYSA-N	286.335	1.877	10	20	CDCD	
O=C(N[C@H]1CCC[C@H]1C(=O)O)c1cc(O)cs1	1594788841	FJYPJLANPWUXLG-SFYZADRCSA-N	255.295	1.437	10	20	CDCD	
Cc1cnc(CNCc2ccc(C(=O)O)cc2O)n1C	1777481954	VTFLFFLVEFAHHV-UHFFFAOYSA-N	275.308	1.422	10	20	CDCD	
C[C@]1(C(=O)NCCc2ccc(N)cc2)CCCOC1	818545082	FVLPOGJWCWVWTL-HNNXBMFYSA-N	262.353	1.744	10	20	CDCD	
COc1ccc(CNC[C@H](OC)[C@@H]2CCOC2)c(O)c1	850342922	OSQVEKZSECHEAP-DOMZBBRYSA-N	281.352	1.542	10	20	CDCD	
CO[C@@]1(CNCc2ccc(C)cc2O)CCOC1	877371968	SFEVVVBDHTZWCU-CQSZACIVSA-N	251.326	1.596	10	20	CDCD	
COC(=O)[C@H]1C[C@H]1C(=O)N(C)Cc1ccccc1O	171187138	NJZJEQDJSSQEIS-MNOVXSKESA-N	263.293	1.160	10	20	CDCD	
COC(=O)[C@@H](C)N(C)Cc1ccc(N(C)C)cc1	287804476	JDSKWWXFWUQZNN-LLVKDONJSA-N	250.342	1.746	10	20	CDCD	
COc1ccc(O)c(CNCCC(C)(C)CO)c1	294769720	KCVWZSBOTBWSMT-UHFFFAOYSA-N	253.342	1.899	10	20	CDCD	
Cc1ccc(O)c([C@@H](C)N[C@H]2CCCN(C)C2=O)c1	704339055	IHGIBBXIFDQHJI-YPMHNXCESA-N	262.353	1.972	10	20	CDCD	
COc1cccc(CN2CC(C)(C(=O)O)C2)c1O	399347732	WWQYSPBGPGCGFD-UHFFFAOYSA-N	251.282	1.307	10	20	CDCD	
COc1ccc(O)c(CN(C)Cc2cnn(C)c2)c1	179601766	MSWUPBPBSLRNDW-UHFFFAOYSA-N	261.325	1.766	10	20	CDCD	
COc1ccc(N(C)C[C@H](O)Cn2cccn2)cc1OC	68300843	ZPMUBHMNEVPRLD-ZDUSSCGKSA-N	291.351	1.398	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)CCNC(N)=O	170732106	PKEPMJWLNFKCFY-UHFFFAOYSA-N	279.340	1.189	10	20	CDCD	
Nc1ccc(CN2CCC(OCCO)CC2)cc1	128821574	IIOVDMTWTZYLTM-UHFFFAOYSA-N	250.342	1.242	10	20	CDCD	
CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)c1cccc(O)c1O	187120648	HPKCZNQICSJULN-BIMULSAOSA-N	277.320	1.641	10	20	CDCD	
C[C@H]1CN(C(=O)Cc2ccc(N)cc2)CCS1	155682266	QKPGMUPSVHWXBP-JTQLQIEISA-N	250.367	1.775	10	20	CDCD	
Cc1ccc(O)c(CN2CCN(C3CCOCC3)CC2)c1	129790779	DDVHVCOFKVACBQ-UHFFFAOYSA-N	290.407	1.997	10	20	CDCD	
CC[C@H](C)NC(=O)[C@@H](C)NC(=O)c1cccc(O)c1O	187037696	XNUNBNXFXJIHPK-DTWKUNHWSA-N	280.324	1.131	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)[C@@H](C)NC(C)=O	136978673	XYCRUEPCPKOFLF-LLVKDONJSA-N	278.352	1.655	10	20	CDCD	
COCCOCCNCc1ccc(N2CCOCC2)cc1	44424519	GXEMGVPOXPZKMR-UHFFFAOYSA-N	294.395	1.276	10	20	CDCD	
COC(=O)C[C@@H]1CN(Cc2cc(C)ccc2O)CCO1	93458661	AOSIIFKLHIOMQP-CYBMUJFWSA-N	279.336	1.465	10	20	CDCD	
CCCCN1CC(=O)N[C@@H]1c1ccc2c(c1)CCN2C	269674244	CGUVHCPJGWUCGV-INIZCTEOSA-N	273.380	1.909	10	20	CDCD	
Cc1noc(CCCC(=O)NCc2ccc(O)c(O)c2)n1	269109635	QYTKUNLQEXFYIP-UHFFFAOYSA-N	291.307	1.428	10	20	CDCD	
O=C(N[C@@H]1CCc2c[nH]nc2C1)c1cccc(O)c1O	365760070	XHLUPUIGWBIXKF-SECBINFHSA-N	273.292	1.108	10	20	CDCD	
CCN(CC)C(=O)CN(C)C(=O)c1c(F)ccc(O)c1O	276732586	TZKUKVASBXGVBT-UHFFFAOYSA-N	298.314	1.177	10	20	CDCD	
CC(C)CN1CC(=O)N[C@@H]1c1cccc(F)c1O	272155682	CPHXZBTUYYNOKQ-ZDUSSCGKSA-N	252.289	1.618	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)C[C@@H](CN)OC)cc1	278240377	LHRZADIGONABTK-HNNXBMFYSA-N	293.411	1.513	10	20	CDCD	
O=C(N[C@H](CO)CC1CCC1)c1cccc(O)c1O	280307955	SQYQJYQNPWGHBM-JTQLQIEISA-N	265.309	1.379	10	20	CDCD	
Cc1cc(C)c([C@@H](C)NCCS(C)(=O)=O)c(O)c1	293868071	UVFXCURVKFIYSS-LLVKDONJSA-N	271.382	1.704	10	20	CDCD	
Cc1n[nH]c(C)c1CCC(=O)NCc1ccccc1O	299567999	PAOWTSZOEVUYIW-UHFFFAOYSA-N	273.336	1.981	10	20	CDCD	
CCOC(=O)[C@H](F)C1CN(Cc2ccccc2O)C1	816634313	DQVVAMUTYDMFOT-CYBMUJFWSA-N	267.300	1.725	10	20	CDCD	
OCC[C@@]1(NCc2cc(Cl)c(F)cc2O)CCOC1	816593163	HBXVXVGLCJCTOX-CYBMUJFWSA-N	289.734	1.816	10	20	CDCD	
COc1ccc(CN[C@H]2CCc3nnnn3CC2)cc1C	817418974	MVBUZQBSIXAUKY-ZDUSSCGKSA-N	287.367	1.485	10	20	CDCD	
CC[C@@H](NCCNCCOC)c1ccc(C)cc1O	817965100	PLWJAWBTMHQOFW-CQSZACIVSA-N	266.385	1.977	10	20	CDCD	
CCCN1C[C@@H](C(=O)N[C@H](C)c2ccccc2O)CC1=O	827952464	TXOUPPNWLLKWTE-NEPJUHHUSA-N	290.363	1.828	10	20	CDCD	
CC(C)(N)CCNCc1cc2c(cc1O)OCO2	903938879	OHQZPRUZPCDMCE-UHFFFAOYSA-N	252.314	1.338	10	20	CDCD	
CCOc1ccc(CNc2cncc(CO)n2)c(O)c1	902107506	FEIIYNWVBPJADO-UHFFFAOYSA-N	275.308	1.685	10	20	CDCD	
O=C(O)[C@H]1CN(Cc2cc(Cl)cc(F)c2O)CCO1	821512709	MZCOQMLIETYFBL-SNVBAGLBSA-N	289.690	1.470	10	20	CDCD	
CC(C)c1nn(C)cc1-c1ccn(CC(=O)O)c(=O)c1	901000305	GODVJYQTGDVYIE-UHFFFAOYSA-N	275.308	1.457	10	20	CDCD	
CCCCNC(=O)[C@H](C)OC(=O)c1cc(O)cs1	732354181	GFQFHSBZDCUIHI-QMMMGPOBSA-N	271.338	1.915	10	20	CDCD	
CCC1(CNC(=O)NCc2ccccc2O)COC1	836634960	QECPLZQXWLMEIX-UHFFFAOYSA-N	264.325	1.618	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)C1SCCCS1	841404244	KHRBIJVUDGDLRX-UHFFFAOYSA-N	299.417	1.953	10	20	CDCD	
C[C@H]1C(=O)N(C)[C@H](C)[C@H](C)N1C(=O)c1cccc(O)c1O	912015915	VPVSCNLXZDDGCK-UTLUCORTSA-N	292.335	1.178	10	20	CDCD	
C[C@H]1C[C@@H](CN)CN1Cc1ccc(N2CCOCC2)cc1	843056794	AEMIBZTVUVKROJ-HOCLYGCPSA-N	289.423	1.692	10	20	CDCD	
CCCNC(=O)CN[C@H](C)c1cccc(OC)c1O	846139026	ZVIYWVHVQIIGJJ-SNVBAGLBSA-N	266.341	1.578	10	20	CDCD	
COc1ccc(N(C)CCNC(=O)NC(C)C)cc1	844355399	QVGFWZRMFHMRAW-UHFFFAOYSA-N	265.357	1.839	10	20	CDCD	
COc1ccc(O)c(CNC(=O)C(C)(C)CNC(C)=O)c1	845833325	FNXAZLBQEPTPAY-UHFFFAOYSA-N	294.351	1.179	10	20	CDCD	
C[C@@H]1C[C@@H](NCc2cc([N+](=O)[O-])ccc2O)CCN1C	742375089	NFILPNGATHTHCY-PWSUYJOCSA-N	279.340	1.873	10	20	CDCD	
O[C@H](COc1ccc(N2CCCC2)cc1)Cn1cccn1	840759927	MTFRZLMWHBAHMT-HNNXBMFYSA-N	287.363	1.923	10	20	CDCD	
C[C@@H]1COC[C@H]1NC(=O)/C=C\c1ccc(O)c(O)c1	928902513	IYPHIPMQOCOASF-VVCGMDSISA-N	263.293	1.262	10	20	CDCD	
O=C(NC[C@@H](CO)CC1CC1)c1cc(O)cs1	855913231	BCZDNBBKRUPRQJ-VIFPVBQESA-N	255.339	1.592	10	20	CDCD	
CN(C)c1ccc(CNCC(F)(F)C(=O)O)cc1	1332016716	AKXLFTXGWBEGMR-UHFFFAOYSA-N	258.268	1.562	10	20	CDCD	
C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc(O)cs1	758348393	VAOZMPPSJIPGOV-GZMMTYOYSA-N	266.366	1.666	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@H]2NCCC2(C)C)c1	852885120	NFWKYTCSNIMRHS-IINYFYTJSA-N	292.379	1.966	10	20	CDCD	
O=C(OCC(=O)[C@H]1CCCOC1)c1cccc(O)c1O	758546343	FQLARDBQAKSVAD-VIFPVBQESA-N	280.276	1.250	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@@](C)(O)C2CCC2)c1	862755930	NKJNQJMRVKEIPN-HNNXBMFYSA-N	263.337	1.868	10	20	CDCD	
CCOC(=O)[C@H](C)NCc1cccc(OCC)c1O	49368822	OGIZCPKJELKHNH-JTQLQIEISA-N	267.325	1.832	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)c1cccc2c1OCO2	768914816	KYDUXUVXDFXRHB-UHFFFAOYSA-N	287.271	1.757	10	20	CDCD	
Cc1cccc(O)c1CNCC1(C(N)=O)CCCC1	877149642	FIQIBMWBWZEYGQ-UHFFFAOYSA-N	262.353	1.836	10	20	CDCD	
Cc1ccc(O)c(CNS(=O)(=O)C[C@H]2CCCO2)c1	1118878093	RMKGTJHUZXFOJD-GFCCVEGCSA-N	285.365	1.299	10	20	CDCD	
C[C@H]1CN(Cc2ccc(N3CCN(C)CC3)cc2)CCN1	775638422	CWVIIUBKGCRKIM-HNNXBMFYSA-N	288.439	1.232	10	20	CDCD	
Cc1nc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)no1	775433269	XHSDYGAKXOJYST-SECBINFHSA-N	274.324	1.935	10	20	CDCD	
Cc1cccc(O)c1CN[C@@H](C)C(=O)NCCF	877500631	WDYMOUPKEWBJSW-JTQLQIEISA-N	254.305	1.264	10	20	CDCD	
COCC1(NCc2ccc(C)cc2O)CCOCC1	877548994	FUNMAQJNMKOXEE-UHFFFAOYSA-N	265.353	1.986	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cncnc1	773744214	PSZNIJHPBQRCMQ-VIFPVBQESA-N	273.292	1.249	10	20	CDCD	
CCN(C)c1ccc(CN2CCS(=O)(=O)C[C@@H]2C)cc1	773750723	FAPYZTSLESSXRH-ZDUSSCGKSA-N	296.436	1.762	10	20	CDCD	
CN[C@H](C(=O)N[C@H](C)c1ccccc1O)c1cnn(C)c1	1122190650	DOCYBLIPSRSDRT-YGRLFVJLSA-N	288.351	1.264	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)N[C@@]2(C)CCOC2=O)c1	1123765617	IQKKNCAFZRECBJ-AWEZNQCLSA-N	278.308	1.205	10	20	CDCD	
CSC[C@](C)(O)CNC(=O)/C=C\c1ccc(O)c(O)c1	779483493	DYHVTDBAQZDPMY-KXQLTZBTSA-N	297.376	1.341	10	20	CDCD	
C[C@H](Cn1cccn1)NC(=O)c1c(F)ccc(O)c1O	789956012	CMSRPYMHJXWGOO-MRVPVSSYSA-N	279.271	1.252	10	20	CDCD	
C[C@H](NCCOCCN(C)C)c1c(O)cccc1F	886599062	PZMRQNQWLDHDCX-NSHDSACASA-N	270.348	1.760	10	20	CDCD	
COc1ccc(CNCc2nc(N(C)C)no2)cc1C	788435388	GAEOFWNQWOQRLN-UHFFFAOYSA-N	276.340	1.742	10	20	CDCD	
COc1cc(C)cc(CNC2([C@@H](C)O)CC2)c1O	895336824	USGSELFNWYZQOA-SNVBAGLBSA-N	251.326	1.712	10	20	CDCD	
COc1ccc(CN[C@@H](C)C(=O)OC(C)C)c(O)c1OC	894759313	VQDWISGLBSBZNS-JTQLQIEISA-N	297.351	1.839	10	20	CDCD	
COc1cc(C)cc(CN2CCCN(C=O)CC2)c1O	895355045	WSDASTZHDHMKCI-UHFFFAOYSA-N	278.352	1.373	10	20	CDCD	
CCN(CC)C(=O)CN(C)Cc1c(O)cccc1OC	771934122	XBMNVQSKCAJWJJ-UHFFFAOYSA-N	280.368	1.701	10	20	CDCD	
C[C@H](N[C@@H]1CCN(C)C1=O)c1ccc(N(C)C)cc1	90074939	ODLXTGBPYOOFBQ-SMDDNHRTSA-N	261.369	1.634	10	20	CDCD	
Cc1nn(C)cc1S(=O)(=O)N[C@H](C)c1ccccc1O	1329927152	PRRLAUMMUGZGDH-SECBINFHSA-N	295.364	1.474	10	20	CDCD	
CN(C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2Cc1ccc(N)cc1	1345159337	GLVHDQFPPRSGFF-IKGGRYGDSA-N	289.423	1.952	10	20	CDCD	
Cc1ccc(C(=O)N2CC[C@@H](C)C[C@@H]2C(=O)O)c(O)c1O	1600331814	DWHRJEAUIVZUJF-LDYMZIIASA-N	293.319	1.732	10	20	CDCD	
O=C(O)CCCCC(=O)N1Cc2cccc(O)c2C1	1601980114	FUAHUIQOXXCHPK-UHFFFAOYSA-N	263.293	1.879	10	20	CDCD	
Cc1cccc(CN[C@@H](C[C@@H]2CCCO2)C(=O)O)c1O	1600532621	WANPMGKNDIRZQF-STQMWFEESA-N	279.336	1.813	10	20	CDCD	
N[C@@H]1CCCCC[C@@H]1C(=O)NCc1ccccc1O	228421270	ULNVVZPJGGTKMT-QWHCGFSZSA-N	262.353	1.916	10	20	CDCD	
C[C@@H](CNCc1ccc(N2CC[C@@H](O)C2)cc1)C(=O)O	1776425283	FECBZILWNRHUCJ-SMDDNHRTSA-N	278.352	1.068	10	20	CDCD	
CCN(C)c1ccc(CN2CCO[C@H](C)[C@H]2C(=O)O)cc1	1776856099	OBPDJWUBXHKETA-DOMZBBRYSA-N	292.379	1.817	10	20	CDCD	
C[C@@H](NC[C@@H]1CCCNC1=O)c1ccc(N(C)C)cc1	838935108	AMSNMPZFOZCWRK-OCCSQVGLSA-N	275.396	1.929	10	20	CDCD	
C[C@@H]1CCN(C(=O)Cc2ccc(N)cc2)C[C@@H]1CN	841857985	XMKUIMGQSTUBFJ-YPMHNXCESA-N	261.369	1.255	10	20	CDCD	
CCOC(=O)N1CCN(Cc2c(C)cccc2O)CC1	876526920	KXSRFDFMEKIRQS-UHFFFAOYSA-N	278.352	1.975	10	20	CDCD	
COC(=O)C(C)(C)CNCc1c(C)cccc1O	876879146	HLYAJSCQVCFYIA-UHFFFAOYSA-N	251.326	1.989	10	20	CDCD	
C[C@@H]1CCN[C@H](C(=O)N[C@H](C)c2ccccc2O)C1	877255872	JBTJXIMWSUZDSS-WZRBSPASSA-N	262.353	1.958	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)c1ccc(=O)[nH]c1	37842146	RASPKDJUEAVMIQ-UHFFFAOYSA-N	258.277	1.353	10	20	CDCD	
CC(=O)c1cc(Cl)cc(CN2C[C@@H](O)[C@H](CO)C2)c1O	316455113	OTAWPCURNPWMGP-GXFFZTMASA-N	299.754	1.033	10	20	CDCD	
CO[C@@H]1CCOC[C@H]1NCc1cc(Cl)ccc1O	724870894	BYOQUUUYCKODDK-DGCLKSJQSA-N	271.744	1.939	10	20	CDCD	
Oc1cccc(Br)c1CN[C@H]1C[C@@H](O)C1	858174221	PBBUYIUGTWZTJF-OCAPTIKFSA-N	272.142	1.768	10	20	CDCD	
COC(=O)[C@H]1CC[C@H]1C(=O)N(C)Cc1ccccc1O	285603165	IQEKKJFYWPFUPT-NEPJUHHUSA-N	277.320	1.550	10	20	CDCD	
CN1CCCc2cc(CNC(=O)NCCCO)ccc21	57661171	RSRPLQADWCHCNE-UHFFFAOYSA-N	277.368	1.251	10	20	CDCD	
COc1ccc(N2CCN(C(=O)[C@@H]3CCOC3)CC2)cc1	69315265	ZBKLJQMIEGZWAT-CYBMUJFWSA-N	290.363	1.380	10	20	CDCD	
OCCOCCNCc1cc(Br)ccc1O	67697558	NGSBTUSGZZABNW-UHFFFAOYSA-N	290.157	1.253	10	20	CDCD	
CC(C)N(C)C[C@H](C)NC(=O)c1cccc(O)c1O	311783809	XLLHXAYPVHIARP-JTQLQIEISA-N	266.341	1.556	10	20	CDCD	
CCCOc1ccc(CN2CCN(C)C(=O)C2)c(O)c1	127384468	GRKQUDHZARODMN-UHFFFAOYSA-N	278.352	1.455	10	20	CDCD	
COc1ccc(O)c(CN2CCN(C(=O)N(C)C)CC2)c1	401744964	MXVNCCGBXKRTAR-UHFFFAOYSA-N	293.367	1.200	10	20	CDCD	
CC1(C)[C@@H](O)C[C@H]1NCc1ccc(N2CCOCC2)cc1	129426442	KPDXKJKVNJPITP-CVEARBPZSA-N	290.407	1.772	10	20	CDCD	
C[C@H](NC[C@@]1(O)CCOC1)c1ccc(F)c(F)c1O	187806431	XVKNDOSEEISYEW-SDBXPKJASA-N	273.279	1.472	10	20	CDCD	
CCN(CCS(C)(=O)=O)Cc1ccc(N)cc1	37744018	SACNBFFQJPTDOX-UHFFFAOYSA-N	256.371	1.135	10	20	CDCD	
CCCC[C@H](NC(N)=O)C(=O)N(C)Cc1ccccc1O	120242360	HUNGGFNUSKPMKJ-LBPRGKRZSA-N	293.367	1.578	10	20	CDCD	
Cc1cccc(CN2CCN(C3CCOCC3)CC2)c1O	180381179	RWPBIKVLTBDGPB-UHFFFAOYSA-N	290.407	1.997	10	20	CDCD	
CCN(CC)c1ccc(CN2C[C@@H](O)C[C@H]2CO)cc1	187670392	RFKKDQCGENEPHY-HOTGVXAUSA-N	278.396	1.460	10	20	CDCD	
CC[C@@H](C)NC(=O)CN[C@@H](C)c1cc(OC)ccc1O	182406404	GHZVKKBBGKSHFN-MNOVXSKESA-N	280.368	1.966	10	20	CDCD	
CSC[C@](C)(O)CNCc1cc(F)ccc1O	180787289	IQJWBXCGIYFIRN-GFCCVEGCSA-N	259.346	1.735	10	20	CDCD	
O=C(NCc1ccc(N2CCCC2)cc1)c1cc[nH]n1	48574844	WAEWOVRUORDFKP-UHFFFAOYSA-N	270.336	1.940	10	20	CDCD	
Cc1ccc(O)c(CN(C)[C@@H]2CCS(=O)(=O)C2)c1	132400966	CKJAHXIGFLQPTE-GFCCVEGCSA-N	269.366	1.320	10	20	CDCD	
Cn1cc(CCC(=O)NCCc2ccc(N)cc2)cn1	237768361	MISNARPYXRILBC-UHFFFAOYSA-N	272.352	1.294	10	20	CDCD	
Nc1ccc(CNC(=O)CCOCC(F)F)cc1	232323464	AUGIOSHEPCNDGJ-UHFFFAOYSA-N	258.268	1.557	10	20	CDCD	
CCOc1ccc(O)c(CN2C[C@@H]3[C@@H](CO)[C@@H]3C2)c1	368349949	UUPORDKPGJCEMH-WDNDVIMCSA-N	263.337	1.461	10	20	CDCD	
O=C(NC[C@H]1CCCCN1C1CC1)c1cccc(O)c1O	277438835	FEKRCXBYPBUNQI-GFCCVEGCSA-N	290.363	1.845	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNCC(C)(C)CCO)c1O	278497413	MYCAHMKRIVXYOT-UHFFFAOYSA-N	298.339	1.807	10	20	CDCD	
C[C@@H]1CCN(Cc2cc(F)ccc2O)CC[S@]1=O	277418867	ICHDTXOKDKNNGC-MLCYQJTMSA-N	271.357	1.874	10	20	CDCD	
CC(=O)NC[C@@H]1CN(Cc2c(O)cccc2Cl)CCO1	271173743	ISBHTJFARAKVAR-LLVKDONJSA-N	298.770	1.383	10	20	CDCD	
CN(C)c1ccc(CN2CCN([C@H]3CCOC3)CC2)cc1	375734140	VSOUUTBFYGFBJH-KRWDZBQOSA-N	289.423	1.659	10	20	CDCD	
COC(=O)C[C@@H]1COCCN1Cc1ccccc1O	377831694	APLPYXOERZSJGP-GFCCVEGCSA-N	265.309	1.156	10	20	CDCD	
C[C@@H]1C[C@@H](C)[C@H](C(=O)NCCc2ccc(O)c(O)c2)O1	282291925	FQONDFPJXNKBPK-GPCCPHFNSA-N	279.336	1.570	10	20	CDCD	
COC(=O)c1cnc(SCc2nnnn2C2CC2)s1	295317216	NUIJGJGYMWWZFT-UHFFFAOYSA-N	297.365	1.543	10	20	CDCD	
O=C(N[C@@H]1CCC[C@H]1CCO)c1c(F)ccc(O)c1O	295726837	LOVMURWFEYSFRQ-WCBMZHEXSA-N	283.299	1.518	10	20	CDCD	
CCN1C(=O)/C(=C/c2cnc(N(C)C)nc2)SC1=S	295968605	QFKSEZYRYXAQDY-UITAMQMPSA-N	294.405	1.764	10	20	CDCD	
COC(=O)c1cnc(S[C@@H](C)c2nnnn2C)s1	295426398	YRYSNIUDMPWKDA-YFKPBYRVSA-N	285.354	1.307	10	20	CDCD	
C[C@@H](CO)CNC(=O)NCc1ccc(N(C)C)c(F)c1	299300009	AMTTYYOEKMPXBP-SNVBAGLBSA-N	283.347	1.319	10	20	CDCD	
Cc1ccc2c(c1)/C(=C\c1cn(CC(=O)O)nn1)C(=O)N2C	811700627	NAZVCTNJKLNGNS-WUXMJOGZSA-N	298.302	1.188	10	20	CDCD	
CCN(CC(=O)NC)Cc1cc(Cl)c(F)cc1O	816486355	ZIARACYDDDHFNS-UHFFFAOYSA-N	274.723	1.753	10	20	CDCD	
Cc1cc(CN2CCSC[C@@H]2C(N)=O)ccc1N(C)C	815080695	IGVJTHVSSFAUIF-CQSZACIVSA-N	293.436	1.464	10	20	CDCD	
O=C(O)CCNC(=O)NCCCSc1nccs1	819490284	XRBYBXBLNOGVMG-UHFFFAOYSA-N	289.382	1.399	10	20	CDCD	
Cc1cc(NS(=O)(=O)CCOCC2CC2)ccc1O	818048287	NRCYPLPDASCMMD-UHFFFAOYSA-N	285.365	1.869	10	20	CDCD	
O=C(NCCCCCCO)c1c(F)ccc(O)c1O	827842841	BMWYPUXXVMYUSZ-UHFFFAOYSA-N	271.288	1.519	10	20	CDCD	
O=C(NCCOCC1CCC1)c1c(F)ccc(O)c1O	828550032	IWDCHUMEHDIUOM-UHFFFAOYSA-N	283.299	1.783	10	20	CDCD	
C[C@@]1(O)CCN(c2ccc(/C=C/C(=O)O)cc2[N+](=O)[O-])C1	828116124	ZTJYHXFKLVBEGY-LYKUJDHUSA-N	292.291	1.654	10	20	CDCD	
O=C(N[C@@H](CO)CC(F)(F)F)c1c(F)ccc(O)c1O	827955690	BULKMAHEJFNLIO-RXMQYKEDSA-N	297.204	1.280	10	20	CDCD	
COc1ccc(O)c(CNC(=O)Cc2cnccc2C)c1	830544649	SGAZGHPFOMSLEB-UHFFFAOYSA-N	286.331	1.963	10	20	CDCD	
CC[C@H](C)N1CCN(C(=O)c2ccc(C)c(O)c2O)CC1	837005489	PUWAYMKZPBLTHX-LBPRGKRZSA-N	292.379	1.963	10	20	CDCD	
Cc1ccc(C(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)cn1	832292482	HPVXOVHHXVJYDQ-MRXNPFEDSA-N	298.390	1.886	10	20	CDCD	
CCOCCN(CC)C(=O)NCCc1ccc(N)cc1	841955780	NCCACHJSMRSPKW-UHFFFAOYSA-N	279.384	1.879	10	20	CDCD	
C[C@H](C[C@@H]1CCOC1)NC(=O)NCCc1ccc(N)cc1	841857943	RRIIRQDLVXURBR-OCCSQVGLSA-N	291.395	1.926	10	20	CDCD	
Cc1cc(Br)c(O)c(CN[C@H](C)CN)c1	841060643	OQJJOILSLBFGFG-MRVPVSSYSA-N	273.174	1.900	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)NCCNCC	841935430	UZXLFWLGZIUTGT-UHFFFAOYSA-N	279.384	1.923	10	20	CDCD	
CC(C)(CCC(=O)O)C(=O)NCc1ccccc1O	911330928	UHIOSTJIELTYKH-UHFFFAOYSA-N	265.309	1.899	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN[C@@]1(CCO)CCOC1	840941270	VFZDOFPNLTWGCW-INIZCTEOSA-N	278.396	1.692	10	20	CDCD	
CC[C@H]1CN(C(=O)C(=O)Nc2ccc(N)cc2)C[C@H](C)O1	841034806	FNHGFHQKPOZGBH-GWCFXTLKSA-N	291.351	1.233	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN(C)Cc1nncn1C	840945249	GHXBKBRUJKQOIU-UHFFFAOYSA-N	273.384	1.822	10	20	CDCD	
COC(=O)C[C@H]1CCCN1C(=O)Nc1ccc(N)cc1	841299224	XELXQZXRHHBECB-GFCCVEGCSA-N	277.324	1.828	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@@H](C)Cc2cnc[nH]2)c1	847590897	KDCCANXXIZICEX-JTQLQIEISA-N	289.335	1.619	10	20	CDCD	
COc1ccc(N(C)CCN(C)C(=O)[C@H](C)OC)cc1	844854076	NISLNIAQIZVSOB-LBPRGKRZSA-N	280.368	1.625	10	20	CDCD	
CCn1cc(C(=O)N(C)Cc2ccc(N(C)C)cc2)nn1	929533343	RJXQZRQXMSWQQZ-UHFFFAOYSA-N	287.367	1.636	10	20	CDCD	
C[C@H](N[C@H](CO)c1cnn(C)c1)c1cc(F)cc(F)c1O	756777168	WJXCEEUBAQBOFZ-ISVAXAHUSA-N	297.305	1.788	10	20	CDCD	
CN(C)c1ccc(CNC(=O)C[C@H]2CCC(=O)N2)cc1	854270282	IQOMLNLPMAJLKV-GFCCVEGCSA-N	275.352	1.038	10	20	CDCD	
CCOC(=O)[C@@H](F)C1CN(C(=O)c2cc(O)cs2)C1	854646122	FELWRGZRJITNMB-JTQLQIEISA-N	287.312	1.427	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc(O)n(C)n1	935945783	KVAZEYDWVJDBFQ-UHFFFAOYSA-N	296.323	1.247	10	20	CDCD	
C[C@@H]1C[C@H](NCCOCCO)c2c(O)ccc(F)c21	756360695	DZJQJJDRAAUMPI-KOLCDFICSA-N	269.316	1.678	10	20	CDCD	
CCN(CC)CC(=O)NCc1cc(C)ccc1O	862759551	GDTURZNNJVZKDN-UHFFFAOYSA-N	250.342	1.659	10	20	CDCD	
COc1cccc(O)c1CN1CCC[C@@H](C2OCCO2)C1	769304738	DDLPFDOJKGJPFS-GFCCVEGCSA-N	293.363	1.986	10	20	CDCD	
COC(=O)[C@@]1(C)CN(C(=O)Nc2ccc(N)cc2)C[C@@H]1C	868164050	UQMDUWAIOLOCOM-BONVTDFDSA-N	291.351	1.932	10	20	CDCD	
CCOc1ccc(CN(CCO)CCOC)c(O)c1	769308878	DCESBYCKNAEQLX-UHFFFAOYSA-N	269.341	1.232	10	20	CDCD	
Nc1ccc(CNCCCOC[C@H]2CCCO2)cc1	1356083543	RYYJLGWMBWYMRN-OAHLLOKOSA-N	264.369	1.944	10	20	CDCD	
CCCCN(CC(N)=O)Cc1ccc(OCC)cc1O	768869194	QRHKBBXUNUNJMQ-UHFFFAOYSA-N	280.368	1.878	10	20	CDCD	
CCO[C@@H](CCN(C)C)CNC(=O)c1cc(O)cs1	768229157	DESQNGGVIUFZTQ-NSHDSACASA-N	286.397	1.540	10	20	CDCD	
COCCN(C)C(=O)/C=C\c1ccc(O)c(O)c1	779482435	RYLMBIBXQCPDHI-XQRVVYSFSA-N	251.282	1.216	10	20	CDCD	
Cc1c[nH]ccc1=NC(=O)/C=C\c1ccc(O)c(O)c1	1116510794	YUNURGVKDHBJKO-HYXAFXHYSA-N	270.288	1.875	10	20	CDCD	
CCCN1CCN(C(=O)c2cc(O)cs2)C(C)(C)C1=O	779506896	ZCRWQDHUDCLKKE-UHFFFAOYSA-N	296.392	1.927	10	20	CDCD	
COc1cc(O)c(CNCCCn2cncn2)cc1OC	776175018	VQUPQJFDIAVYCV-UHFFFAOYSA-N	292.339	1.181	10	20	CDCD	
CC[C@H](CO)C(=O)N1CCOc2cc(N(C)C)ccc21	779639492	OLMKOOCHVQTXQT-LLVKDONJSA-N	278.352	1.497	10	20	CDCD	
CCCNC(=O)[C@H](C)OC(=O)c1cccc(O)c1O	776282952	ZHAUKOPKGBOXSC-QMMMGPOBSA-N	267.281	1.169	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H](CO)CC1CC1	779547425	KVONVNSMXUCWCU-FVOPLDGLSA-N	277.320	1.388	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)c1ccc(O)nc1	778924089	WDRSFTYZTZZQSI-UHFFFAOYSA-N	260.249	1.128	10	20	CDCD	
CC(C)[C@@](C)(O)C(=O)OCC(=O)c1ccc(O)c(O)c1	784782322	CTYMYFZCGJTRFZ-CQSZACIVSA-N	282.292	1.231	10	20	CDCD	
C[C@@H](NCCN1CCNC1=O)c1c(O)cccc1F	886747208	NZCRCYVQRPBBCD-SECBINFHSA-N	267.304	1.207	10	20	CDCD	
O=C(N[C@@H]1CCCC2(C1)OCCO2)c1cc(O)cs1	782854799	GXBUCOHRVBOSQA-SECBINFHSA-N	283.349	1.869	10	20	CDCD	
CON(C)CCNCc1ccc(N2CCN(C)CC2)cc1	883172082	UFIPQMIEOBCAQT-UHFFFAOYSA-N	292.427	1.021	10	20	CDCD	
COc1cc(C)cc(CN[C@H](CO)C[C@@H]2CCCO2)c1O	895747403	HLNZUOTZHRMZEX-KBPBESRZSA-N	295.379	1.729	10	20	CDCD	
COc1cc(C)cc(CN[C@@H]2C[C@H](O)C2(C)C)c1O	894495088	SBJLOWUTYHQVAJ-OLZOCXBDSA-N	265.353	1.958	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N2CC[C@@H]2CO)cc1F	892486669	YGIYAAQYRWHXMB-LLVKDONJSA-N	281.331	1.168	10	20	CDCD	
COc1ccc(CNC[C@H]2CCCN2C)c(O)c1OC	892720824	GIYDOBONQHCRLR-GFCCVEGCSA-N	280.368	1.593	10	20	CDCD	
C[C@H]1COCC[C@H]1CNCc1cc2c(cc1O)OCO2	796498617	XWIVZEYYGGCKNL-QWRGUYRKSA-N	279.336	1.883	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@H]2CCN2C(C)(C)C)c1	896360516	DZSWMPYFSGNBOK-CYBMUJFWSA-N	292.379	1.890	10	20	CDCD	
CC[C@H]1CC[C@H](C(=O)NCCc2ccc(O)c(O)c2)O1	270552064	OUIDNRIDTJQFLF-SMDDNHRTSA-N	279.336	1.714	10	20	CDCD	
COc1ccc(CN2C[C@H]3CNC[C@@H]3C2)c(O)c1OC	892251619	JRIHNQTZZXFBEG-VXGBXAGGSA-N	278.352	1.061	10	20	CDCD	
COc1ccc(C(=O)NCCc2ccc(O)c(O)c2)cn1	797355283	YDOKUVMIRGMFAA-UHFFFAOYSA-N	288.303	1.474	10	20	CDCD	
CN1CCN(c2ccc(CN3CC(C)(O)C3)cc2F)CC1	1330620602	FXBLZUKODJOKPH-UHFFFAOYSA-N	293.386	1.144	10	20	CDCD	
O=C(NCc1cc(Cl)ccc1O)N[C@H]1C[C@@H](C(=O)O)C1	1353128279	XEVQEARYXIVAPZ-WKFQBHICSA-N	298.726	1.708	10	20	CDCD	
CN(C)c1ccc(OCc2cn(CC(=O)O)nn2)cc1	1606060981	SRYAHSBSNCSNBA-UHFFFAOYSA-N	276.296	1.008	10	20	CDCD	
C[C@@]1(O)CCCN(C(=O)c2cccc(O)c2O)CC1	230355899	UPBCUCPMFQVVER-CQSZACIVSA-N	265.309	1.475	10	20	CDCD	
C[C@@H](CCO)N[C@@H](C)c1cc(C(=O)O)ccc1O	1592529379	QDAYWGXEOPSKBQ-IUCAKERBSA-N	253.298	1.512	10	20	CDCD	
C[C@H](NCCc1cnn(C)c1)c1cc(C(=O)O)ccc1O	1593275395	SMASJSBTGVFUIM-JTQLQIEISA-N	289.335	1.717	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCO[C@H]2CCC[C@@H]21	126348510	MJTRGACPORYLIW-JQWIXIFHSA-N	263.293	1.491	10	20	CDCD	
COc1cc(N(C)C[C@H]2CCCN2)cc(OC)c1OC	903439780	ORBBQZPFQKTKSW-LLVKDONJSA-N	280.368	1.901	10	20	CDCD	
Cc1ccc(CNCC2(O)CCN(C)CC2)c(O)c1	877061591	MGRBZPSSQNXTSX-UHFFFAOYSA-N	264.369	1.247	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NCCOC(=O)N(C)C)c1	160414870	UQNNUSWZLNAHJR-SNVBAGLBSA-N	282.340	1.750	10	20	CDCD	
C[C@H](O)C[C@H](C)CNC(=O)Cc1ccc(N)cc1	160567931	JPJOSUIZQIJYTB-QWRGUYRKSA-N	250.342	1.335	10	20	CDCD	
CCN(C[C@@H](C)OC)C(=O)c1cccc(O)c1O	291347013	WSWGCRZOZDBKLN-SECBINFHSA-N	253.298	1.595	10	20	CDCD	
COc1ccc(O)c([C@H](C)NCCCNC(C)=O)c1	182463653	WJZVEYWCCZVBDI-JTQLQIEISA-N	266.341	1.578	10	20	CDCD	
Cc1cc(C)n(CC(=O)NCCc2ccc(N)cc2)n1	63129678	LFSACMOEXCICPX-UHFFFAOYSA-N	272.352	1.441	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2ccc[n+]([O-])c2)c1	103530529	XKZZKOBQTOIHBB-SNVBAGLBSA-N	288.303	1.525	10	20	CDCD	
Cc1ccc(C(=O)NC2CCN(C3CC3)CC2)c(O)c1O	177666563	JSTRQLCBNWAEDT-UHFFFAOYSA-N	290.363	1.763	10	20	CDCD	
COC(=O)[C@@H]1CCCN1Cc1cc(OC)ccc1O	179661098	QZCVYQUMCMDUEF-LBPRGKRZSA-N	265.309	1.538	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C1(O)CCCC1	186426408	VUXPXKXQHUWVNA-JTQLQIEISA-N	279.336	1.450	10	20	CDCD	
CC(C)[C@H](C(=O)N(C)Cc1ccccc1O)N(C)C	120273875	PCWHEGVHPZVWAH-CQSZACIVSA-N	264.369	1.937	10	20	CDCD	
COc1cc(Br)cc(CN(C)CCO)c1O	127910990	SEWWUIFUVVEKEV-UHFFFAOYSA-N	290.157	1.587	10	20	CDCD	
O=C(NC[C@H]1CCCSC1)c1cccc(O)c1O	288159133	YWGKBUQNUQNVEF-SECBINFHSA-N	267.350	1.971	10	20	CDCD	
C[C@@H]1CCNC(=O)[C@H]1NCc1ccc(N(C)C)cc1	193588526	DRIVEPKQWPJAID-RISCZKNCSA-N	261.369	1.367	10	20	CDCD	
CCOCCCC(=O)NCCc1ccc(N)cc1	95033988	KREUGHMXTSMOQJ-UHFFFAOYSA-N	250.342	1.744	10	20	CDCD	
COC[C@@H](CN[C@@H](C)c1cc(F)ccc1O)OC	230672274	UAXGCNQWTMEHAN-GXSJLCMTSA-N	257.305	1.843	10	20	CDCD	
CN1C[C@@H](NCc2cccc(Br)c2O)CC1=O	383806186	ULIJDAKGKLBOCB-VIFPVBQESA-N	299.168	1.475	10	20	CDCD	
C[C@H](O)CCN[C@@H](C)c1ccc(N2CCOCC2)cc1	268926962	YMVGKXZCCCIQHO-KBPBESRZSA-N	278.396	1.945	10	20	CDCD	
Cc1cccc(CN2CC[S@](=O)C[C@H](C)C2)c1O	277482928	MUTZYJCVJYOPEZ-ZMZPIMSZSA-N	267.394	1.901	10	20	CDCD	
CCOc1cccc([C@H]2NC(=O)[C@H]3CSCCN32)c1O	270768474	HCUCNDCXFZUKGP-MFKMUULPSA-N	294.376	1.337	10	20	CDCD	
CNS(=O)(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	285072234	FEMBMMVJXNHGPX-UHFFFAOYSA-N	283.397	1.181	10	20	CDCD	
CC[C@H](NCc1cc([N+](=O)[O-])ccc1O)C(C)(C)O	293028133	PMIVQSJBBFKLBX-LBPRGKRZSA-N	268.313	1.940	10	20	CDCD	
C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1c(F)ccc(O)c1O	295217171	XVSUYAINPCNVCD-LDYMZIIASA-N	294.326	1.449	10	20	CDCD	
CC(=O)C(=O)COc1cccc(Cl)c1[N+](=O)[O-]	814774681	YVKXBEIROIHCHJ-UHFFFAOYSA-N	257.629	1.785	10	20	CDCD	
CCCN1C[C@H](CNC(=O)c2cc(O)cs2)CC1=O	817764833	LKAOPMMFWGLHKT-VIFPVBQESA-N	282.365	1.442	10	20	CDCD	
Cc1cc(O)c(CN(C)CCOCCO)cc1Cl	825779343	JMBCQCXPJSJMIK-UHFFFAOYSA-N	273.760	1.795	10	20	CDCD	
C[C@@H](O)CN(Cc1cc(F)ccc1O)CC(F)F	825099105	UULRYZZKDWZNRC-MRVPVSSYSA-N	263.259	1.979	10	20	CDCD	
CCC[C@@H](OC)C(=O)NCc1cc(OC)ccc1O	825840488	UIUKVVPWLVZAQW-CYBMUJFWSA-N	267.325	1.832	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)CCCCN)c1	828667872	VJBFFXYTGHFAJR-SNVBAGLBSA-N	266.341	1.707	10	20	CDCD	
O=C(/C=C/c1cccnc1)N1CCCc2n[nH]cc21	493542594	BAHLUYUILNCAJH-AATRIKPKSA-N	254.293	1.797	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N[C@H]1CCc2n[nH]cc2C1	588407980	KKOWAWKHQOYCHX-DWMUBGRBSA-N	299.330	1.508	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNC2([C@H](C)O)CC2)c1O	827586446	XZCJQMPDHFPCIU-QMMMGPOBSA-N	282.296	1.312	10	20	CDCD	
COCCCn1ccc(NC(=O)c2cc(O)cs2)n1	734880115	JQEDFWREUYNLRG-UHFFFAOYSA-N	281.337	1.939	10	20	CDCD	
CN(C)CCn1nccc1C(=O)NCc1ccccc1O	901125769	YKNYPDXASHQYOO-UHFFFAOYSA-N	288.351	1.080	10	20	CDCD	
C[C@@H](CC(N)=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	749130008	OPGJGFBDEJZKKJ-QWHCGFSZSA-N	291.395	1.438	10	20	CDCD	
O=C1CC(C(=O)NCc2cc(Cl)ccc2O)C1	846474604	WJHQZZWEYRRIBW-UHFFFAOYSA-N	253.685	1.641	10	20	CDCD	
CCc1cccc(CNCC2(CC(N)=O)CC2)c1O	848917722	KCYNYBSMDJBNDQ-UHFFFAOYSA-N	262.353	1.700	10	20	CDCD	
CC[C@@H]1CC[C@@H](C)N1C(=O)C(=O)Nc1ccc(N)cc1	841113866	WIOJYMURGGNNHQ-ZWNOBZJWSA-N	275.352	1.997	10	20	CDCD	
C[C@@H]1[C@H](CO)CCCN1Cc1cc2c(cc1O)OCO2	840980439	ZXKXEIREFWYUJG-MNOVXSKESA-N	279.336	1.714	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1CCCNC(=O)C1	840912932	ZOKQCLIPPHJZMU-UHFFFAOYSA-N	261.369	1.383	10	20	CDCD	
CCOc1ccc(O)c(CN2C[C@H](C)N[C@H](C)C2)c1	843049543	PITRSTUAFJCBKV-TXEJJXNPSA-N	264.369	1.973	10	20	CDCD	
COc1cccc(CN(C)[C@H](C)C[S@](C)=O)c1O	131141618	LILNWZSEKXJRPI-MLCYQJTMSA-N	271.382	1.600	10	20	CDCD	
Oc1cc2c(cc1CNC1CCOCC1)OCO2	42879818	VNRAHVWEJCERBZ-UHFFFAOYSA-N	251.282	1.390	10	20	CDCD	
NCc1ccc2c(c1)CCCN2CCCN1CCOCC1	844219985	PUTYCWZXFNBRNX-UHFFFAOYSA-N	289.423	1.620	10	20	CDCD	
C[C@H]1CNCCN1Cc1ccc(N(C)C)c(F)c1	843046769	ARGAHQPNHDTPHP-NSHDSACASA-N	251.349	1.685	10	20	CDCD	
CCn1nncc1CNC(=O)NCc1cc(C)ccc1O	858646047	HIRVHGQRXIWMIF-UHFFFAOYSA-N	289.339	1.311	10	20	CDCD	
OCCn1cc(NCc2cc(Cl)cc(F)c2O)cn1	757890821	BBADIIVFKQYGQD-UHFFFAOYSA-N	285.706	1.986	10	20	CDCD	
CCOc1cc(C(=O)NCc2ccccc2O)on1	857471526	BWFXLOVUSAQJFR-UHFFFAOYSA-N	262.265	1.709	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H]1CO[C@H](C)C1	935949255	WLJMFCXYYCJVQV-GHMZBOCLSA-N	284.352	1.919	10	20	CDCD	
CCN(C)c1ccc(CN[C@](C)(CO)COC)cc1	879161906	FTOLTDGQCRDLFI-OAHLLOKOSA-N	266.385	1.630	10	20	CDCD	
CN(C)c1ccc(CN[C@@H](Cc2cnc[nH]2)C(=O)O)cc1	1119613550	JSSRCFWPRNNUAU-AWEZNQCLSA-N	288.351	1.261	10	20	CDCD	
COc1cc(O)c(CNC[C@H](O)c2ccco2)cc1OC	775918503	RIHQPELMYUYVSU-LBPRGKRZSA-N	293.319	1.826	10	20	CDCD	
CC[C@@H](OC)C(=O)NCCNCc1ccc(OC)c(C)c1	1124555895	DYXUHPIVPDYWCV-CQSZACIVSA-N	294.395	1.634	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)C1(C)COC1	782296574	MQRJCVGZRPJCQG-UHFFFAOYSA-N	262.353	1.714	10	20	CDCD	
COc1ccc(CN2CCO[C@H](C)C2)c(O)c1OC	891543528	RSICIMIKCWTOIZ-SNVBAGLBSA-N	267.325	1.630	10	20	CDCD	
CCOc1ccc(CN(CC)CCC(=O)NC)c(O)c1	897709602	GKCSGMIVXZTTMA-UHFFFAOYSA-N	280.368	1.749	10	20	CDCD	
COC(=O)c1ccc(CNC(=O)c2cccc(O)c2O)o1	791759513	ZERIKWKMHBJMEH-UHFFFAOYSA-N	291.259	1.407	10	20	CDCD	
COc1ccc(CNC(=O)c2n[nH]cc2C)c(O)c1	799732943	VGHFXDSQVXLIKL-UHFFFAOYSA-N	261.281	1.362	10	20	CDCD	
Nc1ccc2c(NCCc3ccc(O)c(O)c3)ncnc2n1	1324649293	KQYLACNIYYSSCU-UHFFFAOYSA-N	297.318	1.673	10	20	CDCD	
COc1ccc(CN[C@@H]2CCN(C)[C@@H](C)C2)c(O)c1OC	1334964755	JLXNYFYCPDJPKY-WCQYABFASA-N	294.395	1.982	10	20	CDCD	
COc1ccc(N2CC[C@H](N[C@@H](C)CC(=O)O)C2)cc1	1604809435	ISYIDJNNMKFCJN-RYUDHWBXSA-N	278.352	1.727	10	20	CDCD	
CCOCCO[C@@H](C)C(=O)Oc1ccc(N)cc1	1578117626	AMMCVQYOJIUHLA-JTQLQIEISA-N	253.298	1.616	10	20	CDCD	
CC(=O)c1nn(C)cc1OCc1cc(C(=O)O)oc1C	1589322517	HYHJKPRRBHTBCU-UHFFFAOYSA-N	278.264	1.801	10	20	CDCD	
Nc1ccc(CNC(=O)c2cnc(OCC3CC3)cn2)cc1	1580445436	CWFODSBSEUNWTA-UHFFFAOYSA-N	298.346	1.778	10	20	CDCD	
COC[C@](C)(O)CCN[C@H](C)c1cc(C(=O)O)ccc1O	1599157073	VVYQQIGBAHBLLT-MEBBXXQBSA-N	297.351	1.529	10	20	CDCD	
C[C@H](N[C@H]1CC[C@H](CN)C1)c1cc(C(=O)O)ccc1O	1593222555	KYMDPROZUMLTJC-NHCYSSNCSA-N	278.352	1.868	10	20	CDCD	
CN(CCc1ccncc1)C(=O)Cc1ccc(N)cc1	20185683	XHFURFNVBJHFMF-UHFFFAOYSA-N	269.348	1.907	10	20	CDCD	
CC[C@@H](NCC1(CO)COC1)c1ccccc1O	271689740	KAQSWBKMLOALQD-GFCCVEGCSA-N	251.326	1.442	10	20	CDCD	
C[C@@H]1OCCN(Cc2cc3c(cc2O)OCO3)[C@H]1C	164090443	BYYZWCBDPZVUMB-UWVGGRQHSA-N	265.309	1.730	10	20	CDCD	
O=C1NCCCC[C@@H]1N[C@@H]1CCc2cccc(O)c21	295836052	FIIYROLPKQOHOW-NEPJUHHUSA-N	260.337	1.638	10	20	CDCD	
COC(=O)C(C)(C)CNC(=O)Nc1ccc(N)cc1	311550436	LOLCIZYAKBLPBL-UHFFFAOYSA-N	265.313	1.590	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)Cc1ccncc1	383779151	WQRRPPZSNYXNIE-UHFFFAOYSA-N	256.305	1.988	10	20	CDCD	
Cc1ccc(O)c([C@H](C)NCc2nnc(C)n2C)c1	393196300	AHWMDTKWUZPMHL-JTQLQIEISA-N	260.341	1.988	10	20	CDCD	
COc1cccc(CN2CCNC(C)(C)C2)c1O	396050830	DMEGYISMBLUXMO-UHFFFAOYSA-N	250.342	1.585	10	20	CDCD	
CCCCNC(=O)NC(=O)CN(C)Cc1ccccc1O	109772957	ZEDRHGYBXYGIJA-UHFFFAOYSA-N	293.367	1.450	10	20	CDCD	
COc1cccc(CNCCSCCCO)c1O	105643209	JMNOYDUVXYFKIZ-UHFFFAOYSA-N	271.382	1.606	10	20	CDCD	
COC(=O)[C@H](C)N1CCCN(c2ccc(OC)cc2)CC1	52466633	SIAXEHZPHPSGBI-ZDUSSCGKSA-N	292.379	1.769	10	20	CDCD	
COc1cccc(CNC(=O)[C@@H](C)SC)c1O	68489068	QDYFMBGNFZGRRF-MRVPVSSYSA-N	255.339	1.769	10	20	CDCD	
CN(C)c1ccc([C@H](CNC(=O)CCCN)N(C)C)cc1	1341512753	MJPZJEUMJGTASY-HNNXBMFYSA-N	292.427	1.210	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)c2cncc(O)c2)c1	111608322	FAGPBBSDFWSIAL-VIFPVBQESA-N	288.303	1.992	10	20	CDCD	
CCOC[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1	69276353	MUSVMXQEAPKQCE-OAHLLOKOSA-N	294.395	1.215	10	20	CDCD	
Oc1ccc(Cl)cc1CNC[C@@H]1COCCO1	38060472	IGUNAPOZYOSJEA-LLVKDONJSA-N	257.717	1.551	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC[C@@H](O)CSC)c1	188224523	LEQDZOKPCXRVIX-VHSXEESVSA-N	271.382	1.775	10	20	CDCD	
Cc1ccc(O)c(CNCC2(S(C)(=O)=O)CCC2)c1	279836957	QSEHBFUTITVDTC-UHFFFAOYSA-N	283.393	1.758	10	20	CDCD	
COC[C@H](O)CN[C@@H](C)c1ccc(N(C)C)cc1	71267956	CQSPSABOYXBIHX-SMDDNHRTSA-N	252.358	1.411	10	20	CDCD	
COCCN(C)CCNCc1cc(Cl)ccc1O	61375552	CCYKGUNLCFKVKK-UHFFFAOYSA-N	272.776	1.713	10	20	CDCD	
C[C@H](NC(=O)NCc1ccc(N(C)C)cc1)C(=O)N(C)C	45827424	QDANQWUUHZELOG-NSHDSACASA-N	292.383	1.029	10	20	CDCD	
OC[C@@H]1CCC[C@@H]1NCc1ccc(N2CCOCC2)cc1	230677171	DTBWTJTYRCTEDS-RDJZCZTQSA-N	290.407	1.774	10	20	CDCD	
Nc1ccc(CC(=O)NO[C@H]2CCCCO2)cc1	238117251	NRFFJUMRVKONCH-ZDUSSCGKSA-N	250.298	1.386	10	20	CDCD	
COc1ccc(CNC[C@@H]2CN3CCC[C@H]3CO2)cc1C	252668405	WLZQDQUSSSRVSI-JKSUJKDBSA-N	290.407	1.956	10	20	CDCD	
COC(=O)C[C@@H](C)C(=O)NCc1ccccc1O	268237332	LLLQRBZXEIMLFK-SECBINFHSA-N	251.282	1.208	10	20	CDCD	
C[C@@H](NCC1(C)OCCO1)c1cc([N+](=O)[O-])ccc1O	273347124	AZHXZQLQFZIRPY-SECBINFHSA-N	282.296	1.714	10	20	CDCD	
C[C@H](CO)CCCNC(=O)NCc1ccc(N(C)C)cc1	270236713	KJOLIOXKDQPYOO-ZDUSSCGKSA-N	293.411	1.960	10	20	CDCD	
C[C@@H](N[C@H]1CC(=O)N(C)C1)c1cc(Cl)ccc1O	273576942	MBBUUYQKYLQZNM-SCZZXKLOSA-N	268.744	1.927	10	20	CDCD	
O=C(NCc1ccccc1O)NC[C@H]1CCOC1	299535522	UCFSQEPOEDAABY-SNVBAGLBSA-N	250.298	1.228	10	20	CDCD	
CC[C@@]1(C)CN(C(=O)c2c(F)ccc(O)c2O)CCO1	295968221	NEVYNJXSRUEFGV-AWEZNQCLSA-N	283.299	1.878	10	20	CDCD	
C[C@@H](CCCCO)NC[C@H](N)c1ccc(N(C)C)cc1	817942567	PPIPTBDQWJPRRF-BBRMVZONSA-N	279.428	1.893	10	20	CDCD	
C[C@@H]1CN(C)C(=O)CN1Cc1cc(Cl)c(F)cc1O	816586223	CYTGPUXCJBZAPK-MRVPVSSYSA-N	286.734	1.847	10	20	CDCD	
O=S1(=O)CCN(Cc2ccc3ccccc3c2O)CC1	816502589	IINNAQVXOIKBRA-UHFFFAOYSA-N	291.372	1.776	10	20	CDCD	
CC[C@@]1(CO)CCCN(C(=O)c2c(F)ccc(O)c2O)C1	829041475	GOOFBCVNZURXKD-OAHLLOKOSA-N	297.326	1.862	10	20	CDCD	
COc1ccc(O)c(CN2C[C@H]3[C@H]4C=C[C@@H](O4)[C@H]3C2)c1	824838218	MDZMVODNZZIBIB-OCVGTWLNSA-N	273.332	1.786	10	20	CDCD	
COc1ccc(O)c(CN2CC[C@H](N3CCOC3=O)C2)c1	827000002	GBDXVGYHLIJQPI-LBPRGKRZSA-N	292.335	1.427	10	20	CDCD	
CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)c2cc(O)cs2)C1	734179182	UWAOSUAOZMPHIA-ZJUUUORDSA-N	296.392	1.831	10	20	CDCD	
O=C(O)[C@H]1CCCN1Cc1cc2c(cc1O)OCO2	821508651	CWINFAKWLUEBOA-SECBINFHSA-N	265.265	1.170	10	20	CDCD	
CCCCC[C@H](O)C(=O)NCc1ccc(OC)cc1O	831617733	JRQABZMNXSMIDZ-ZDUSSCGKSA-N	281.352	1.958	10	20	CDCD	
C[C@@H](CNC(=O)c1cc(O)cs1)N(C)C1CC1	732284798	CBKDHQMQRUBDGL-QMMMGPOBSA-N	254.355	1.666	10	20	CDCD	
CC(C)(CC(=O)O)NCc1ccc(N2CCOCC2)cc1	736316915	HNVXLCSGRAZGCE-UHFFFAOYSA-N	292.379	1.866	10	20	CDCD	
CCNC(=O)C(C)(C)NCc1cc(OC)c(OC)cc1O	835076827	WHQOAZBJJJDAGF-UHFFFAOYSA-N	296.367	1.414	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1CC12CCOCC2	836865783	AENCFOOFKDNKSN-KWEXDPCDSA-N	289.331	1.796	10	20	CDCD	
CC(C)C[C@H](CN)NCc1cc2c(cc1O)OCO2	841038449	JPEWOLQCJLLWOX-LLVKDONJSA-N	266.341	1.584	10	20	CDCD	
COC(=O)[C@H]1C[C@@H](NC(=O)/C=C\c2ccc(O)c(O)c2)C1	840531117	VXCGMESTVLKVHM-FZTZLREASA-N	291.303	1.179	10	20	CDCD	
COc1cccc(CN[C@@H](C)[C@@H]2CCCNC2)c1O	841033449	NXQSJRFEKCIZPJ-NWDGAFQWSA-N	264.369	1.879	10	20	CDCD	
CC(C)(C)N1CC[C@H](NC(=O)c2cccc(O)c2O)C1=O	843939921	PPUKGWULYJTPQQ-JTQLQIEISA-N	292.335	1.227	10	20	CDCD	
CC[C@H](C(=O)O)C(=O)NCc1ccc(N(C)C)cc1	911118758	AXCMWZQHHXBNRG-LBPRGKRZSA-N	264.325	1.480	10	20	CDCD	
CCc1cccc(CN2C[C@H](C)O[C@H](CO)C2)c1O	848906006	PLVLKWHZYHQMFR-FZMZJTMJSA-N	265.353	1.536	10	20	CDCD	
C[C@H](C[S@](C)=O)N(C)Cc1cc2c(cc1O)OCO2	131016413	TVAOGNJOCVOOGP-AYLIAGHASA-N	285.365	1.320	10	20	CDCD	
CCN(C(=O)/C=C(/C)c1cnccn1)c1cnn(C)c1	848344571	JQBWHLPASSSOPD-XFFZJAGNSA-N	271.324	1.667	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1CC[C@@H](C(N)=O)C1	840907569	HLQLIRUHSWSDNU-CYBMUJFWSA-N	261.369	1.368	10	20	CDCD	
CCOCCCNC(=N)NCc1ccccc1O	848984786	CQQMEDJWSODYPT-UHFFFAOYSA-N	251.330	1.433	10	20	CDCD	
COc1cccc(O)c1CN[C@@H]1CCCNCC1	841056734	CLMVGTCYDRCUPO-LLVKDONJSA-N	250.342	1.633	10	20	CDCD	
COc1ccc(N(C)C[C@@H]2CCC(=O)O2)cc1OC	851734744	MHOWMDIPLVRUCW-NSHDSACASA-N	265.309	1.846	10	20	CDCD	
CCOc1nc(C(=O)NCCc2ccc(O)c(O)c2)co1	753987448	RUXKZGHSMHYIMA-UHFFFAOYSA-N	292.291	1.457	10	20	CDCD	
CC1=NO[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)C1	854801404	YOYHYBOLWKCISW-TZNOJPMFSA-N	276.292	1.392	10	20	CDCD	
CC1CCN(C[C@@H](C)NC(=O)c2cccc(O)c2O)CC1	855899634	QRAJYYINULEFKQ-GFCCVEGCSA-N	292.379	1.948	10	20	CDCD	
CN(C)c1ccc(CN2C[C@H]3[C@H](N(C)C)[C@H]3C2)cc1	931277429	KKLUHUGRBIVCKC-ZSHCYNCHSA-N	259.397	1.744	10	20	CDCD	
CCn1cc(C(=O)NCc2cc(OC)ccc2O)c(C)n1	860241287	HYTRIZUOWQSIML-UHFFFAOYSA-N	289.335	1.856	10	20	CDCD	
Oc1ccc(CCNC(=S)NCc2ccon2)cc1O	764436262	CPDRDJIXVUMIBJ-UHFFFAOYSA-N	293.348	1.293	10	20	CDCD	
C[C@H]1COCCN1Cc1cc2c(cc1O)OC[C@@H]2O	768441773	MTTNUNLZFXSHPF-ZANVPECISA-N	265.309	1.039	10	20	CDCD	
C[C@@H](NC(=O)C(C)(C)C(N)=O)c1ccc(N(C)C)cc1	768005212	UKAAKUJSMFXXPW-SNVBAGLBSA-N	277.368	1.441	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@H](C)c2cnn(C)c2)c1	862757657	BBLQXRLHPFVSLO-LLVKDONJSA-N	273.336	1.854	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)NC[C@@H](O)c1ccco1	779530962	IIHWSAXLCHQNOI-RYWCDNDXSA-N	289.287	1.554	10	20	CDCD	
Cc1ccc(CN2CCC(CO)(CO)CC2)c(O)c1	877796711	USVQKGFVNFFVIB-UHFFFAOYSA-N	265.353	1.267	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)C(=O)N1CCC(F)(F)C1	1117837614	NTGAOZLVWMYLME-UHFFFAOYSA-N	298.289	1.218	10	20	CDCD	
CCNC(=O)[C@H](C)N[C@H](C)c1c(O)cccc1F	886491923	WOZMFMDFCBFKNL-BDAKNGLRSA-N	254.305	1.707	10	20	CDCD	
O=C1N=C(N2CCOCC2)S/C1=C/c1ccc(F)nc1	777468569	SLWMPSRYRLLUNV-JXMROGBWSA-N	293.323	1.523	10	20	CDCD	
Cc1ccc(C(=O)N(C)CCN2CCCC2)c(O)c1O	770482729	CDVFPMATPMAKIL-UHFFFAOYSA-N	278.352	1.574	10	20	CDCD	
CC[C@@H](NCCN1CCNC1=O)c1ccc(C)cc1O	886745408	WIXDJPMGJGOJFP-CYBMUJFWSA-N	277.368	1.767	10	20	CDCD	
O=S(=O)(C[C@H]1CCCOC1)Nc1ccc(O)cc1	788140136	VASZXSCLFLRLBR-JTQLQIEISA-N	271.338	1.561	10	20	CDCD	
CC[C@H]1CN(Cc2ccc(OC)c(OC)c2O)C[C@@H]1O	892242295	PPCKTEROVREHOT-JQWIXIFHSA-N	281.352	1.612	10	20	CDCD	
COc1ccc(CN(C)CC2CC(O)C2)c(O)c1OC	893907949	RWJKQEDMNCVHJY-UHFFFAOYSA-N	281.352	1.612	10	20	CDCD	
COCCNC(=S)NCc1ccc(OC)cc1O	795032238	RDZYEFQTIZTQBN-UHFFFAOYSA-N	270.354	1.011	10	20	CDCD	
COc1ccc(CNc2nnc(C)c(C)n2)c(O)c1	795289012	FOSARDJBCVIWCB-UHFFFAOYSA-N	260.297	1.815	10	20	CDCD	
CC(C)(CNCc1ccc2c(c1)CCO2)S(C)(=O)=O	93523212	PKDPDYGEGPBPPX-UHFFFAOYSA-N	283.393	1.534	10	20	CDCD	
CO[C@H](C)CS(=O)(=O)NCc1cc(C)ccc1O	1329238297	IDSJUJYWPVRDOF-SNVBAGLBSA-N	273.354	1.155	10	20	CDCD	
COc1ccc(N2CC[C@H](CN[C@@H](C)[C@H](C)O)C2)cc1	1325853978	INZWLBAERMSZFF-MELADBBJSA-N	278.396	1.880	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H](F)C(=O)O	1606160680	WVYMSWQBKZCAQA-LBPRGKRZSA-N	297.330	1.317	10	20	CDCD	
CC[C@H](C)NC(=O)CN(C)c1ccc(OCC(=O)O)cc1	1604968134	IMZAKPUXCWDOCW-NSHDSACASA-N	294.351	1.501	10	20	CDCD	
C[C@H]1CC[C@@H](NC(=O)NCc2c(O)cccc2F)CN1	1576667187	SGWFAJCIIRVONS-VHSXEESVSA-N	281.331	1.471	10	20	CDCD	
CC[C@@H](C)[C@@H](NCc1cc([N+](=O)[O-])ccc1O)C(=O)O	1776687522	ZSQUIWPCEAIMLU-PRHODGIISA-N	282.296	1.889	10	20	CDCD	
Nc1ccc(CNC(=O)c2c(O)cccc2O)cc1	232428214	OJCLHJKAUBTJEB-UHFFFAOYSA-N	258.277	1.610	10	20	CDCD	
COc1ccc(O)c([C@H](C)NS(=O)(=O)C2CC2)c1	161156464	QLBVYYGIMHEGAL-QMMMGPOBSA-N	271.338	1.544	10	20	CDCD	
OC1CCN(Cc2ccc(N3CCOCC3)cc2)CC1	162252619	JRHZGTDIYAUNEY-UHFFFAOYSA-N	276.380	1.480	10	20	CDCD	
CC1CCC(O)(CNC(=O)c2cccc(O)c2O)CC1	126624429	YHLWVOVUEIWUMP-UHFFFAOYSA-N	279.336	1.769	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CSCC(=O)O	157643998	UKFNLZJNNIYMSF-UHFFFAOYSA-N	296.392	1.529	10	20	CDCD	
COc1ccc(O)c(CN2CC[C@@H](CC(N)=O)C2)c1	368131606	AWNGWLCSTQFXGG-JTQLQIEISA-N	264.325	1.098	10	20	CDCD	
CCN(CC)c1ccc(CNC[C@H]2CNC(=O)C2)cc1	398371710	CVEXLEMGPSLSIG-AWEZNQCLSA-N	275.396	1.759	10	20	CDCD	
CC(=O)c1cc(F)cc(CN(C)C[C@H](C)O)c1O	51839014	SCDUNPCUAFXJGI-QMMMGPOBSA-N	255.289	1.547	10	20	CDCD	
C[C@@]1(C(=O)NCCc2ccc(O)c(O)c2)CC1(F)F	817549635	NEEDOJSDJUXFCF-LBPRGKRZSA-N	271.263	1.802	10	20	CDCD	
O=C(CC1(O)CCCCC1)NCCc1ccc(O)c(O)c1	129763835	WNQXXNWHNNGJMZ-UHFFFAOYSA-N	293.363	1.842	10	20	CDCD	
COc1ccc(O)c(CNCCN2CCOC(C)(C)C2)c1	182197105	FUWZVUQOPICMGS-UHFFFAOYSA-N	294.395	1.601	10	20	CDCD	
CC(C)OCCNC(=O)N(C)Cc1ccccc1O	186886724	ZNXHUZGJDMNGCS-UHFFFAOYSA-N	266.341	1.959	10	20	CDCD	
COCC(C)(C)NC(=O)c1ccc(C)c(O)c1O	182313421	HCYPVFVMTKWTKY-UHFFFAOYSA-N	253.298	1.561	10	20	CDCD	
Nc1ccc(CC(=O)N2CC[C@@H]3NCC[C@@H]3C2)cc1	366459150	FLJDIMVVCCKPLU-OCCSQVGLSA-N	259.353	1.022	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NCC(C)(C)OCCO)c1	287360861	OBIAPSPUZHHHPN-LLVKDONJSA-N	283.368	1.839	10	20	CDCD	
CCOc1cccc(CN(C)CC[C@H](C)O)c1O	93481404	PNZKMXHWELDLAA-NSHDSACASA-N	253.342	1.994	10	20	CDCD	
C[C@@H]1OCC[C@@]12CN(Cc1cc(F)ccc1O)CCO2	377274168	WMDXVXKXJLEZRS-XHDPSFHLSA-N	281.327	1.911	10	20	CDCD	
Cc1ccc(C(=O)N[C@H](c2ncon2)C(C)C)c(O)c1O	286918711	CPNOUQMVAHXRRN-JTQLQIEISA-N	291.307	1.916	10	20	CDCD	
C[C@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)CN(C)C	293714985	JJWRQOIQPWFJPM-OKPNEXGHSA-N	278.352	1.425	10	20	CDCD	
CC[C@H](O)CNCc1ccc(N2CCOCC2)c(F)c1	817709132	LLVPWUOEUONEAZ-ZDUSSCGKSA-N	282.359	1.523	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@@H]1CCCc2nn[nH]c21	816889262	RHOQCDJVCDODPJ-LLVKDONJSA-N	286.335	1.589	10	20	CDCD	
CCOC(=O)[C@@H]1CN(Cc2ccccc2O)CC12COC2	824490038	SPNCBTOKMOCZJR-ZDUSSCGKSA-N	291.347	1.404	10	20	CDCD	
CC(C)N(CCO)c1ccc(/C=C/C(=O)O)cc1[N+](=O)[O-]	826951466	JTFUQESXYCURLK-GQCTYLIASA-N	294.307	1.900	10	20	CDCD	
CCO[C@H]1CCCN(C(=O)c2c(F)ccc(O)c2O)C1	825542780	ZRYKHBVWOZFKTF-VIFPVBQESA-N	283.299	1.878	10	20	CDCD	
COc1cc(O)c(CN2C[C@H](C)[C@@](C)(CO)C2)cc1OC	827700631	WAQAESVXLMTRCN-MEDUHNTESA-N	295.379	1.860	10	20	CDCD	
COC[C@](C)(O)CNCc1cc(Cl)c(C)cc1O	825253202	DZCAGWBBCWSUEE-CYBMUJFWSA-N	273.760	1.841	10	20	CDCD	
O=C1O[C@H]2C[C@H]1N(Cc1ccc(Br)cc1O)C2	826043263	HJBJADJMAXCFKA-VHSXEESVSA-N	298.136	1.654	10	20	CDCD	
COCCN(C)S(=O)(=O)Nc1ccc(O)c(Cl)c1	821192111	SDPNJZUDHUUQFE-UHFFFAOYSA-N	294.760	1.281	10	20	CDCD	
CCOC(=O)CN(Cc1cn[nH]c1)Cc1ccccc1O	822511534	HTIAMCFHIPZMCJ-UHFFFAOYSA-N	289.335	1.681	10	20	CDCD	
C[C@]1(CNCc2cc(Cl)c(F)cc2O)CCC(=O)N1	835060063	IJUNMVZGVYGPJZ-CYBMUJFWSA-N	286.734	1.943	10	20	CDCD	
CN1CCC[C@H](CCNC(=O)NCc2ccccc2O)C1	838059467	BJPDMWMZBGCOMR-CYBMUJFWSA-N	291.395	1.923	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCO[C@H]1C(F)(F)F	912084973	MEAKVWCNJZCPRJ-JTQLQIEISA-N	277.198	1.459	10	20	CDCD	
CN(C)c1ccc([C@H](N)CNC(=O)C[C@H]2CCCO2)cc1	832278245	CDDZTOCQPSWTNH-HUUCEWRRSA-N	291.395	1.438	10	20	CDCD	
CC[C@H](C(=O)O)N(C)Cc1cc(OC)c(OC)cc1O	844937157	MDNUDGADPYYTML-SNVBAGLBSA-N	283.324	1.704	10	20	CDCD	
CN(Cc1c(O)ccc(Cl)c1F)[C@@H]1CCNC1	843049359	LNSUVXPCUCRKCZ-MRVPVSSYSA-N	258.724	1.978	10	20	CDCD	
C[C@H](CCCN)NCc1ccc(N2CCOCC2)cc1	841079002	HFFNNJOFCXRCIO-CQSZACIVSA-N	277.412	1.740	10	20	CDCD	
CN(C)[C@]1(CNC(=O)Nc2ccc(N)cc2)CCSC1	841299935	MGGXRUAZTWVYRF-AWEZNQCLSA-N	294.424	1.828	10	20	CDCD	
CC(C)NCCC(=O)NC[C@H](N)c1ccc(N(C)C)cc1	841846849	XFXKDRRHAUREKH-HNNXBMFYSA-N	292.427	1.257	10	20	CDCD	
COC1(CNCc2cc3c(cc2O)OCO3)CCOCC1	746755730	STSLRDHRKUCAFY-UHFFFAOYSA-N	295.335	1.406	10	20	CDCD	
CCOc1cccc(CN(C)[C@H](C)CCO)c1O	846111971	SPUURJHEWWTMTA-LLVKDONJSA-N	253.342	1.994	10	20	CDCD	
COc1ccc(N(C)CCN(C)C(=O)C2(N)CC2)cc1	846697374	OZOPFAOPHLFXFG-UHFFFAOYSA-N	277.368	1.081	10	20	CDCD	
COc1cc(O)c(CN[C@@H]2CCN[C@H](C)C2)cc1OC	841060940	CISQGNVEEGOPCL-ZYHUDNBSSA-N	280.368	1.640	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC[C@@]1(O)CCOC1	840936966	PCPYTLBNTCCBOY-HNNXBMFYSA-N	264.369	1.302	10	20	CDCD	
C[C@@H](CCNC(=O)/C=C\c1ccc(O)c(O)c1)N(C)C	855415443	ICMLLSPWIKIZRL-XOIDGJRKSA-N	278.352	1.567	10	20	CDCD	
Cn1ncc(C2CC2)c1CNC(=O)c1cccc(O)c1O	855791065	KMOVPFLBEYWRKI-UHFFFAOYSA-N	287.319	1.639	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@H]2CCCc3nn[nH]c32)cc1	854270663	OHKLABMXPQMTJX-ZDUSSCGKSA-N	299.378	1.607	10	20	CDCD	
C[C@H](NC[C@@H](O)COCC1CC1)c1cc(F)ccc1O	756511986	UKFBWYLWHJMVCY-GXFFZTMASA-N	283.343	1.969	10	20	CDCD	
C[C@@H](NS(=O)(=O)C[C@H]1CCCOC1)c1ccccc1O	867834997	YSTZJAVUVPTVCR-NEPJUHHUSA-N	299.392	1.799	10	20	CDCD	
O=C(CCCOC1CCOCC1)NCc1ccccc1O	866756614	YGLDVQHGHVWJMT-UHFFFAOYSA-N	293.363	1.984	10	20	CDCD	
Cc1ccc(CN2CCC(CC(N)=O)CC2)c(O)c1	876593930	NGCSYFUEXNPSGS-UHFFFAOYSA-N	262.353	1.788	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2CCC[C@@]2(C)CO)c1O	775097734	LTKSRBDWGYPFER-AWEZNQCLSA-N	296.323	1.656	10	20	CDCD	
CCN(C[C@@H]1CCOC1)C(=O)/C=C\c1ccc(O)c(O)c1	779499542	NBWWLNCJKMZEFB-AGLBCWCQSA-N	291.347	1.996	10	20	CDCD	
Oc1ccc(F)cc1CNC[C@H](O)c1ccco1	779050920	YWIDSOKIJOCSAI-LBPRGKRZSA-N	251.257	1.948	10	20	CDCD	
Cc1cc(O)c(CNCc2nnc3c(=O)[nH]ccn23)cc1C	886291102	XIZPQYVXNADIDK-UHFFFAOYSA-N	299.334	1.030	10	20	CDCD	
C[C@@H](NS(=O)(=O)c1cnc[nH]1)c1ccc(N(C)C)cc1	773083762	HXFPTOAHFQTWIT-SNVBAGLBSA-N	294.380	1.515	10	20	CDCD	
NC(=O)CN(C(=O)c1cc(O)cs1)C1CCCC1	772767882	CAFQXMBXNOWGGT-UHFFFAOYSA-N	268.338	1.324	10	20	CDCD	
CC(C)COC[C@H](O)CNCc1cc(F)cc(F)c1O	882917152	FOVKEDSQCABXCW-GFCCVEGCSA-N	289.322	1.794	10	20	CDCD	
C[C@@H]1C[C@H](NCc2nnn(C)n2)c2c(O)ccc(F)c21	787031557	OBDUHYWZTJIEHI-APPZFPTMSA-N	277.303	1.393	10	20	CDCD	
CN(C)c1ccc(CN[C@H](CO)C2CCOCC2)cc1	782388022	DOASGRIZZQONLW-MRXNPFEDSA-N	278.396	1.630	10	20	CDCD	
C[C@H]1CN(Cc2cc(F)cc(F)c2O)CC[C@H]1O	894497753	PXGURUNVHIQPHX-QPUJVOFHSA-N	257.280	1.873	10	20	CDCD	
O=C(COC1CCCC1)NCCc1ccc(O)c(O)c1	269247744	WURSYKUZSXLPPZ-UHFFFAOYSA-N	279.336	1.716	10	20	CDCD	
CN1C[C@H](NCc2cccc(Cl)c2O)CC1=O	271914837	YODZNMINTJCBRT-SECBINFHSA-N	254.717	1.366	10	20	CDCD	
COC[C@H](O)CCN[C@@H](C)c1cc(C)ccc1O	186202550	HJENLGGFOLCSLP-NWDGAFQWSA-N	253.342	1.749	10	20	CDCD	
CCN(C)C(=O)[C@H](C)NCc1ccc(N(C)C)cc1	188486942	JRGMZPUJSUUTPU-LBPRGKRZSA-N	263.385	1.709	10	20	CDCD	
CC[C@@]1(NCc2cc([N+](=O)[O-])ccc2O)CCOC1	791003367	NTJOSOYOOWHCSK-CYBMUJFWSA-N	266.297	1.959	10	20	CDCD	
CCN(CC)c1ccc(CNS(=O)(=O)NC)cc1	795806273	RQOJDGFOELEHSU-UHFFFAOYSA-N	271.386	1.087	10	20	CDCD	
Cn1cnnc1CNCc1cc(F)cc(F)c1O	708535545	LWALKHCCHUMNIF-UHFFFAOYSA-N	254.240	1.089	10	20	CDCD	
C[C@H](Cc1ccncc1)NC(=O)c1cccc(O)c1O	790864138	KWHBUMSNRDKBRO-SNVBAGLBSA-N	272.304	1.854	10	20	CDCD	
CC1=CCN(C(=O)C(=O)NCCc2ccc(N)cc2)CC1	1325425832	BAHKQWFXCQBWQM-UHFFFAOYSA-N	287.363	1.106	10	20	CDCD	
CC1=NO[C@@](C)(C(=O)N(C)Cc2ccccc2O)C1	1262614058	XUXLVEUZSIVHNG-CQSZACIVSA-N	262.309	1.906	10	20	CDCD	
CCNS(=O)(=O)CCN[C@@H](C)c1ccc(N(C)C)cc1	222006857	HNDSTMRLLVMUKV-LBPRGKRZSA-N	299.440	1.343	10	20	CDCD	
COc1cccc(O)c1CNCCC1(CO)CC1	825040987	XKYBWNYTURVCTA-UHFFFAOYSA-N	251.326	1.653	10	20	CDCD	
C[C@H](NC[C@]1(O)CCO[C@@H]1C)c1ccc(F)cc1O	228054802	JJQKTMNVQWCILU-IMSIIYSGSA-N	269.316	1.722	10	20	CDCD	
CN1CCN(Cc2c(O)cccc2Cl)C[C@@H](C(=O)O)C1	1598618546	LEAGHUKDRIFQAL-JTQLQIEISA-N	298.770	1.494	10	20	CDCD	
COc1cccc(CN[C@@H]2CC[C@@H](C(=O)O)C2)c1O	1599674269	NDZRWIQDUVAWND-MWLCHTKSSA-N	265.309	1.744	10	20	CDCD	
O=C(O)C[C@H](O)CNCc1c(O)ccc(Cl)c1F	1777630745	JCMOVVQFXGWACF-LURJTMIESA-N	277.679	1.110	10	20	CDCD	
CCNC(=O)NC(=O)[C@H](C)N(C)c1ccc(OC)c(F)c1	156859375	LJGOKHKFLVDXEI-VIFPVBQESA-N	297.330	1.505	10	20	CDCD	
CN(C)C(=O)[C@@H]1CCN(Cc2cc(Cl)ccc2O)C1	840957895	LVJVVCZFKNASHT-SNVBAGLBSA-N	282.771	1.956	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)CO[C@@H]1CCCNC1	843390119	HPNRJMKQXVGKCX-CYBMUJFWSA-N	278.352	1.119	10	20	CDCD	
Cc1ccc(O)c(CN2C[C@H](C)S(=O)(=O)[C@H](C)C2)c1	291045947	ZNDFQMSAFZXDFO-TXEJJXNPSA-N	283.393	1.708	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NCC(=O)NCC2CC2)c1	182404935	HSKRCYNRNFGRSK-SNVBAGLBSA-N	278.352	1.578	10	20	CDCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2N[C@@H]1CCOC[C@H]1O	706791162	LEIJAVVZKPJLEM-NRWUCQMLSA-N	277.364	1.988	10	20	CDCD	
OCC1(CNCc2cc(F)cc(F)c2O)CCC1	708419387	CPGKLCGMQIAODV-UHFFFAOYSA-N	257.280	1.923	10	20	CDCD	
CO[C@]1(CN[C@H]2CCc3cccc(O)c32)CCOC1	389169751	HUYGDZLWJXOFBT-WFASDCNBSA-N	263.337	1.775	10	20	CDCD	
O=C(N[C@H]1CC12CCOCC2)c1cccc(O)c1O	386979735	IDMUIXGAJOLIOS-NSHDSACASA-N	263.293	1.397	10	20	CDCD	
C[C@H](C(=O)Nc1ncccn1)N(C)Cc1ccccc1O	111235121	SBPRLYMDRINCNZ-LLVKDONJSA-N	286.335	1.641	10	20	CDCD	
COC(=O)NCC(=O)NCc1ccc(N(C)C)cc1C	115279843	FEESYWQSNMYJAH-UHFFFAOYSA-N	279.340	1.033	10	20	CDCD	
CCCOc1ccc(CNCC(=O)NCC(=O)O)cc1C	1262163785	HNOJSJCHVUPPMF-UHFFFAOYSA-N	294.351	1.074	10	20	CDCD	
C[C@H](O)CNC(=O)/C=C/c1ccc(N2CCOCC2)cc1	119449548	FFACPXCCZMURDU-LVDDQXARSA-N	290.363	1.033	10	20	CDCD	
Cc1nn(C)cc1C(=O)NCc1ccc(N(C)C)cc1	113017140	OMNQUJIJHBXLTR-UHFFFAOYSA-N	272.352	1.725	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)CC(C)(C)CN)c1	1263113006	WTPVBDWWJYXWJN-SNVBAGLBSA-N	280.368	1.953	10	20	CDCD	
NCCC1CCN(C(=O)NCc2ccc(N)cc2)CC1	1346737991	CRVHZSLVSGRDQZ-UHFFFAOYSA-N	276.384	1.539	10	20	CDCD	
C[C@H]1CN(c2ccc(CNC(N)=O)cc2F)C[C@@H](C)O1	77631438	YQGPIAJAQGGODA-AOOOYVTPSA-N	281.331	1.608	10	20	CDCD	
COc1ccc(O)c(CNC(=O)CCOCC(F)F)c1	189554541	GLHJQEYIPGARRB-UHFFFAOYSA-N	289.278	1.689	10	20	CDCD	
COC(=O)CN(C)Cc1ccc(N2CCOCC2)cc1	71124118	WQTGXIJYBSAJFO-UHFFFAOYSA-N	278.352	1.128	10	20	CDCD	
Cc1cc(O)c(CN(C)CC2(O)CCOCC2)cc1C	188834131	CKZOZFRDPBRLHH-UHFFFAOYSA-N	279.380	1.982	10	20	CDCD	
C[C@H](CO)NC(=O)NCc1ccc(N2CCCC2)cc1	48543244	DQYJNNHIFKIBCZ-GFCCVEGCSA-N	277.368	1.467	10	20	CDCD	
CN1CCN(C(C)(C)CNCc2cc(F)ccc2O)CC1	226584337	QNRXTGCNCRTLIZ-UHFFFAOYSA-N	295.402	1.647	10	20	CDCD	
CC(C)CCC[C@H](C)NC=C1C(=O)NC(=S)NC1=O	48392246	NDPZBESZWPNSDG-VIFPVBQESA-N	283.397	1.206	10	20	CDCD	
CC[C@@H](C)NC=C1C(=O)N(CC)C(=S)N(CC)C1=O	48402866	FNOIUJVYGGOTEG-SECBINFHSA-N	283.397	1.254	10	20	CDCD	
COc1cc(Cl)cc(CN(C)CCCN)c1O	229104850	OOMUIEPBTRNFKG-UHFFFAOYSA-N	258.749	1.835	10	20	CDCD	
Nc1ccc(CCNC(=O)c2n[nH]c3c2CCC3)cc1	237965306	SSPSYUNZGMRVCL-UHFFFAOYSA-N	270.336	1.453	10	20	CDCD	
Cc1ccc(C(=O)N2CCC3(CC2)OCCO3)c(O)c1O	267620193	UPLKROPFMGYKQR-UHFFFAOYSA-N	293.319	1.385	10	20	CDCD	
CC[C@H](NC[C@@H](O)COC)c1ccc(N(C)C)cc1	268893246	KDEIRAZHYGVFTL-CABCVRRESA-N	266.385	1.801	10	20	CDCD	
C[C@H](O)CN1CCN(Cc2c(O)cccc2Cl)CC1	275163774	ZOJAHXVUFZOPRZ-NSHDSACASA-N	284.787	1.544	10	20	CDCD	
O=C(NCCC1(O)CCC1)NCc1ccccc1O	284580460	GHVSGWIEAHIOQQ-UHFFFAOYSA-N	264.325	1.497	10	20	CDCD	
Cc1ccc(O)c([C@@H](C)N[C@H](C)C(=O)NCCF)c1	282690629	KGGVCYHHHXCTJN-GHMZBOCLSA-N	268.332	1.825	10	20	CDCD	
O=C(CS(=O)(=O)C1CCCC1)NCc1ccccc1O	299594877	UJPYGMRPVKDCEK-UHFFFAOYSA-N	297.376	1.366	10	20	CDCD	
COCCO[C@H]1CCCN(C(=O)c2cc(O)cs2)C1	802628820	HWEITSDTWRVIND-NSHDSACASA-N	285.365	1.721	10	20	CDCD	
CNC(=O)CCCNC(=O)N(C)Cc1ccccc1O	298916356	HRXAWIUFYAVVDE-UHFFFAOYSA-N	279.340	1.060	10	20	CDCD	
C[C@@H](OC(=O)/C=C/c1ccc(O)c(O)c1)c1nncn1C	805508830	NWBPVQRBHSVFBF-OTQAPUNGSA-N	289.291	1.544	10	20	CDCD	
COc1ccc(CNC(=O)[C@H]2C[C@@H](C)CCN2)c(O)c1	818000979	WUIYKGSWENWRDM-GXFFZTMASA-N	278.352	1.405	10	20	CDCD	
C[C@@H](C[C@@H](C)N)NCc1ccc(N2CCOCC2)c(F)c1	817888962	QGSOBOSKQWBAOF-OLZOCXBDSA-N	295.402	1.878	10	20	CDCD	
CN1CC[C@H]1CNCc1ccc(Br)cc1O	712585620	HDIUPBUNJXQINM-NSHDSACASA-N	285.185	1.948	10	20	CDCD	
CCn1nnc(C)c1CNCc1ccc2c(c1)CCO2	823752130	CEWYQZFLBOSJOR-UHFFFAOYSA-N	272.352	1.831	10	20	CDCD	
COc1ccc(O)c(CNC(=O)CN(C)CC(C)(C)C)c1	821064540	CXOYGHUOVQKNIC-UHFFFAOYSA-N	294.395	1.995	10	20	CDCD	
CCN(CC)c1ccc(CN(C)C(=O)COCCN)cc1	826019640	ILPZIFUWRGFGSA-UHFFFAOYSA-N	293.411	1.467	10	20	CDCD	
O=C(O)[C@@H](O)C1CCN(Cc2cccc(F)c2O)CC1	833771245	YPAJLMVSAMQNPK-ZDUSSCGKSA-N	283.299	1.189	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)NCCn1cccn1	588406055	BPRMHMITNRBYJM-HYXAFXHYSA-N	273.292	1.124	10	20	CDCD	
O=C(O)[C@H]1C[C@@H]1C(=O)NCCCSc1nccs1	739546421	DZJONEZUKIJQFT-YUMQZZPRSA-N	286.378	1.462	10	20	CDCD	
C[C@@H](C[C@H]1CCOC1)NC(=O)Cc1ccc(N)cc1	831299173	OOMNPIWSYFFNDP-WCQYABFASA-N	262.353	1.743	10	20	CDCD	
COc1ccc(O)c(CNC(=O)Nc2nc(C)n(C)n2)c1	836645409	UDABVQMGVNPOGH-UHFFFAOYSA-N	291.311	1.159	10	20	CDCD	
Cc1ccc(C(=O)NCC[C@]2(O)CCCOC2)c(O)c1O	846594756	CGLVXNVHTWCCEW-OAHLLOKOSA-N	295.335	1.068	10	20	CDCD	
COC(=O)[C@H](CNC(=O)c1cc(O)cs1)CC1CC1	846659722	WKQHPTWZCZGGPR-VIFPVBQESA-N	283.349	1.773	10	20	CDCD	
O=C(CCC1(O)CCC1)NCc1ccc(O)cc1O	910945382	UIOCHUOOFPKLPO-UHFFFAOYSA-N	265.309	1.409	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)c1nccnc1N	42116918	BQXCXCKMSDJAKT-UHFFFAOYSA-N	258.281	1.037	10	20	CDCD	
COC/C(C)=C\C(=O)NCc1cccc(OC)c1O	845835095	YJDAXDCZTKZDEF-YFHOEESVSA-N	265.309	1.610	10	20	CDCD	
C[C@H](O)CCOC(=O)/C=C\c1ccc(O)c(O)c1	849745256	NGTVBBDSNKXVGA-LVCFMKKZSA-N	252.266	1.425	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN[C@@H](C)CCS(C)(=O)=O	840936332	CPPPYXQYDXKSGO-ZDUSSCGKSA-N	298.452	1.974	10	20	CDCD	
CC[C@H](N)CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1	841882183	XKIPHRQMZBVGRE-AAEUAGOBSA-N	278.400	1.850	10	20	CDCD	
C[C@@H](NCCN1CCC1)c1cc([N+](=O)[O-])ccc1O	756766824	DCORTVQAUXNACS-SNVBAGLBSA-N	265.313	1.657	10	20	CDCD	
CCc1nncn1CCNCc1ccc2c(c1)CCCO2	921800721	JBPVCBOOKAYKGM-UHFFFAOYSA-N	286.379	1.955	10	20	CDCD	
COc1cccc(CNC(=O)C2(C(C)C)COC2)c1O	934939866	DKKCPWOZMBMIIO-UHFFFAOYSA-N	279.336	1.690	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@](C)(OC)C(=O)O)c1	852942445	IUKRKPLFCJCNRH-CLAHSXSESA-N	297.307	1.068	10	20	CDCD	
C[C@H]1CSCCN1Cc1cc2c(cc1O)OC[C@H]2O	768444700	BHJZTESRXPMGTH-TVQRCGJNSA-N	281.377	1.755	10	20	CDCD	
COC[C@@H]1CCCN1NC(=O)/C=C\c1ccc(O)c(O)c1	862594681	JYKQLWCPBAXBMM-HWPRWLFBSA-N	292.335	1.253	10	20	CDCD	
CC[S@@](=O)CCNC(=O)N[C@H](C)c1ccccc1O	868266019	MWWQTJCZJZZVLS-GIGQVBGESA-N	284.381	1.521	10	20	CDCD	
Cc1cccc(O)c1CNC[C@H](O)CN1CCCC1	876965519	DZOZYSMANWIDMQ-ZDUSSCGKSA-N	264.369	1.247	10	20	CDCD	
Cc1ccc(CN2C[C@H](C)N(CCO)[C@H](C)C2)c(O)c1	877568002	DPAFAEPLWIRSSI-OKILXGFUSA-N	278.396	1.588	10	20	CDCD	
COC1(CO)CCN(Cc2ccc(N(C)C)cc2)CC1	775205315	XKKCOUQMJCJLFA-UHFFFAOYSA-N	278.396	1.726	10	20	CDCD	
COc1cccc(O)c1CN1CCO[C@H]([C@H]2CCCO2)C1	770303707	IUCGKXKYANEMED-CVEARBPZSA-N	293.363	1.781	10	20	CDCD	
COc1cccc(O)c1CN1CC[C@@H](O)[C@@H](C)C1	779199751	KVJLTWNMIZSBJH-CMPLNLGQSA-N	251.326	1.604	10	20	CDCD	
C[C@@H](NCc1nnc2n1CCC2)c1ccccc1O	775129672	IMLOCHRRHZXPKR-SNVBAGLBSA-N	258.325	1.781	10	20	CDCD	
COc1ccc(O)c(CN2CC(=O)N(C)C[C@H]2C)c1	783728460	IPKCEAIRJLJZFO-SNVBAGLBSA-N	264.325	1.063	10	20	CDCD	
C/C=C/C[C@@H](CO)NCc1ccc(OC)c(OC)c1O	893661834	SDFQUAKSKSBWSF-ITKZLYELSA-N	281.352	1.826	10	20	CDCD	
CO[C@@H]1CCN(C(=O)c2ccc(C)c(O)c2O)C1	780958589	HWBOHEHSURGOJK-SECBINFHSA-N	251.282	1.267	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N1CC(OC(F)F)C1	781205081	BHDMAHDOWLBKRF-RQOWECAXSA-N	285.246	1.561	10	20	CDCD	
COc1ccc(CNC(=O)[C@H](C)OCC2CC2)c(O)c1	794382289	UPVZCVIPHNGJCG-JTQLQIEISA-N	279.336	1.832	10	20	CDCD	
COC[C@@H](NC(=O)c1cc(O)cs1)[C@H]1CCCO1	791043120	YVNARAQGKNFULY-NXEZZACHSA-N	271.338	1.378	10	20	CDCD	
CCc1ocnc1C(=O)NCc1ccc(OC)cc1O	794373043	FQEGJWZFEGBFQW-UHFFFAOYSA-N	276.292	1.881	10	20	CDCD	
CNC[C@@H](C)CNCc1ccc([N+](=O)[O-])c(OC)c1O	1331419823	SCOCCYCJHJVWTN-SECBINFHSA-N	283.328	1.254	10	20	CDCD	
CN(C)c1ccc(CNC[C@@](C)(CO)CC(=O)O)cc1	1334853006	MJZKSYZSGXDALG-HNNXBMFYSA-N	280.368	1.316	10	20	CDCD	
CCOCC[C@H](NCc1ccc(N(C)C)cc1)C(=O)O	1334070815	JMAODUJYEHOIIX-AWEZNQCLSA-N	280.368	1.722	10	20	CDCD	
CCc1nn(C)cc1C(=O)NCc1cccc(O)c1O	1263894656	PVOMADDNEUCSPR-UHFFFAOYSA-N	275.308	1.324	10	20	CDCD	
Cc1ccc(C(=O)NC2CC(CC(=O)O)C2)c(O)c1O	1607731434	KTPGDAIQKCIBDE-UHFFFAOYSA-N	279.292	1.389	10	20	CDCD	
O=C(O)[C@@H](CC1CC1)NCc1cccc(F)c1O	1601639633	KUICEWLVDRYKLI-LLVKDONJSA-N	253.273	1.874	10	20	CDCD	
C[C@@H]1CC[C@@H](C(=O)O)CN1C(=O)Cc1ccc(O)c(O)c1	1603381955	VSNFCZXGXJKFLQ-MWLCHTKSSA-N	293.319	1.352	10	20	CDCD	
C[C@@H](NCCC1(C)OCCO1)c1cc(C(=O)O)ccc1O	1609775251	CDRRLMYUNFLTMH-SNVBAGLBSA-N	295.335	1.894	10	20	CDCD	
Cn1cncc1CCSc1ncc(C(=O)O)s1	1600992665	BBXWVEMHJYYJSR-UHFFFAOYSA-N	269.351	1.910	10	20	CDCD	
Oc1c(CN[C@H]2C[C@H]3CN[C@@H](C3)C2)ccc(F)c1F	1580885553	DUPPDGGWDICWBO-LSJOCFKGSA-N	268.307	1.901	10	20	CDCD	
CN(C)c1ccc(Cn2ccnc2-c2nn[nH]n2)cc1	1591032474	ORHGOEUTMORWKF-UHFFFAOYSA-N	269.312	1.178	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2ccncc2F)c1	156454582	GYOZZIVYRFPWET-UHFFFAOYSA-N	276.267	1.865	10	20	CDCD	
CCn1ncc(CNCc2cc(Cl)ccc2O)n1	846055820	OQAYJQNPCSWISM-UHFFFAOYSA-N	266.732	1.947	10	20	CDCD	
Cc1ccc(CN2CCCN(S(C)(=O)=O)CC2)c(O)c1	876562581	SJSDGBGITKTSNU-UHFFFAOYSA-N	298.408	1.168	10	20	CDCD	
CO[C@@]1(CN(C)Cc2ccccc2O)CCOC1	876615521	GZKYXBLJFFPGNE-CQSZACIVSA-N	251.326	1.630	10	20	CDCD	
Cc1cccc(O)c1CNCCCS(C)(=O)=O	877016121	IDSNKTLHCIOTFD-UHFFFAOYSA-N	257.355	1.225	10	20	CDCD	
CN(C)C[C@H]1CCCCN1C(=O)c1cccc(O)c1O	187150134	FUYBCYUJOGXPLJ-LLVKDONJSA-N	278.352	1.654	10	20	CDCD	
CCn1cc(CNCc2ccc(OC)c(C)c2)nn1	404459836	QFIDXUXAAFJAGS-UHFFFAOYSA-N	260.341	1.905	10	20	CDCD	
COc1cccc(CNC(=O)c2ccc3nncn3c2)c1O	105651015	SJFHKLFLIMQKFK-UHFFFAOYSA-N	298.302	1.374	10	20	CDCD	
C[C@H](CO)NC(=O)NCc1ccc2c(c1)CCCN2C	57661946	GENUUYAKLQEYFQ-LLVKDONJSA-N	277.368	1.249	10	20	CDCD	
CCNC(=O)[C@H](C)NCc1cc(Cl)ccc1O	36795182	CNPYFGZHKJJLDX-QMMMGPOBSA-N	256.733	1.660	10	20	CDCD	
CN1CCCc2cc(CNC(=O)c3cnsn3)ccc21	121922708	PQYQIIHENFVGID-UHFFFAOYSA-N	288.376	1.851	10	20	CDCD	
Cn1nccc1S(=O)(=O)Nc1ccc(O)cc1F	128586641	NETUJBRWDYFWSZ-UHFFFAOYSA-N	271.273	1.066	10	20	CDCD	
OCCCN(CCO)Cc1c(O)cccc1Cl	124437912	TYIGPRVXTYNKHK-UHFFFAOYSA-N	259.733	1.222	10	20	CDCD	
C[C@@H]1CN(C(=O)CSc2nccs2)CCO1	77582132	XNYHRTRSAQBXHJ-MRVPVSSYSA-N	258.368	1.483	10	20	CDCD	
CCOc1cccc(CN2CC[C@@](F)(C(=O)OC)C2)c1O	93887620	WNQOJUVKPHWHHW-HNNXBMFYSA-N	297.326	1.878	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@]2(C)CCCNC2)cc1F	237085646	MRLRAHNQNYNYBI-MRXNPFEDSA-N	293.386	1.898	10	20	CDCD	
Nc1ccc(CC(=O)NCCc2ccc3c(c2)OCO3)cc1	237901775	VDQIBRRZOFIYNR-UHFFFAOYSA-N	298.342	1.899	10	20	CDCD	
CC[C@@H]1[C@@H](C(=O)NCc2cccc(O)c2O)CCN1C	1347542770	REWNZSRUTJVUJZ-NWDGAFQWSA-N	278.352	1.444	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@@H]1CCCN1C1CC1	279763796	FDOCIMSZDARCRL-AWEZNQCLSA-N	274.364	1.977	10	20	CDCD	
CC[C@@H](NC[C@@H]1CN(C)CCN1C)c1ccc(C)cc1O	280130281	OXYUAJPUBJPOIO-GDBMZVCRSA-N	291.439	1.987	10	20	CDCD	
COc1cc(O)c(CNC[C@@H](O)C2CC2)cc1OC	289536276	WMMXUCQTHIEGOR-GFCCVEGCSA-N	267.325	1.270	10	20	CDCD	
OC[C@@H](CNCc1ccccc1O)[C@H]1CCOC1	280365649	UHGUOKXJYIKVFY-QWHCGFSZSA-N	251.326	1.127	10	20	CDCD	
CC(=O)C(=O)CSc1nnc(-c2ccoc2C)n1C	289606889	KPXWYVRSZCKAIE-UHFFFAOYSA-N	279.321	1.634	10	20	CDCD	
CN1CC[C@@]2(CCN(C(=O)c3c(F)ccc(O)c3O)C2)C1	295396760	RZHRXJSBGNBGIE-OAHLLOKOSA-N	294.326	1.405	10	20	CDCD	
CNCCCN[C@@H](C)c1cc([N+](=O)[O-])ccc1O	817939278	BVUMMJCUDWNTFD-VIFPVBQESA-N	253.302	1.561	10	20	CDCD	
CC[C@@H]1C[C@H]1N1C(=O)CN(Cc2ccccc2O)C1=O	819169506	KWRROMMFOWRGPA-ZYHUDNBSSA-N	274.320	1.955	10	20	CDCD	
CN(C)c1ccc(CNC[C@H](O)CN(C)C2CC2)cc1F	818984588	CULCTHKAJGHUFO-AWEZNQCLSA-N	295.402	1.436	10	20	CDCD	
CCNC(=S)N[C@@H](C)c1cc(OC)ccc1O	728791746	FLAACKBHWJZYFV-QMMMGPOBSA-N	254.355	1.946	10	20	CDCD	
CO[C@@H]1C[C@H](NC(=O)c2c(F)ccc(O)c2O)C1(C)C	826764001	LUBRKPNTOCWMKE-VHSXEESVSA-N	283.299	1.780	10	20	CDCD	
Cc1ccc(O)c(CN2CC[C@@H]3NC(=O)CC[C@@H]3C2)c1	827131861	DWQNNRWXMDRRSY-OCCSQVGLSA-N	274.364	1.801	10	20	CDCD	
COC(=O)C1(C)CN(Cc2ccc(N(C)C)c(F)c2)C1	822534477	ILZIIRDMHRDTJE-UHFFFAOYSA-N	280.343	1.887	10	20	CDCD	
COc1ccc(CNC(=O)[C@@H]2CCC[C@H](N)C2)c(O)c1	832178394	QFQUSDMBHAHYEJ-PWSUYJOCSA-N	278.352	1.535	10	20	CDCD	
O=C(N[C@@H]1CCCN(C(=O)O)C1)c1cc(O)cs1	739388370	QSSRPXCDVZBCNI-SSDOTTSWSA-N	270.310	1.326	10	20	CDCD	
O=C(c1cc(O)cs1)N1CC[C@](F)(C(=O)O)C1	833354568	WOTSMKUBCOWLLL-SNVBAGLBSA-N	259.258	1.093	10	20	CDCD	
CCN(C)C[C@H](O)CSc1ncc(C(=O)OC)s1	848674071	KCJOKJDNUHYOJC-QMMMGPOBSA-N	290.410	1.334	10	20	CDCD	
CCOc1ccc(O)c(CNC[C@@H]2CCCN2)c1	841035799	MNICAGBKUDUOFG-LBPRGKRZSA-N	250.342	1.633	10	20	CDCD	
COCCN(C)C(=O)NCCc1ccc(N)cc1	841957615	SQEVVFYFUIAOLO-UHFFFAOYSA-N	251.330	1.099	10	20	CDCD	
C[C@@H](N[C@@H]1C=C[C@H](CO)C1)c1cc([N+](=O)[O-])ccc1O	756660186	KQTAQDKXYGUXHQ-OUAUKWLOSA-N	278.308	1.888	10	20	CDCD	
COc1ccc(O)c([C@H](C)N[C@@H](CO)C2CCOCC2)c1	757657727	FSUHJXKGYHPCJV-NHYWBVRUSA-N	295.379	1.839	10	20	CDCD	
CCN(CC1(CO)COC1)c1ccc(OC)c(OC)c1	756811916	BAFKBOJNXUYMCT-UHFFFAOYSA-N	281.352	1.539	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)NCC1(N)CCCC1	851671416	MOCPKBOSADFFGW-UHFFFAOYSA-N	277.368	1.805	10	20	CDCD	
CC(C)(C)N1CC[C@@H](CNC(=O)c2cccc(O)c2O)C1	855162048	UFSSTWHZKIDSFU-NSHDSACASA-N	292.379	1.948	10	20	CDCD	
CN1CC[C@](O)(CNCc2ccc(N(C)C)c(F)c2)C1	762569260	RKDXKVFAEUJXPM-HNNXBMFYSA-N	281.375	1.048	10	20	CDCD	
CCC[C@@H](OCC)C(=O)NCc1ccc(O)c(O)c1	860243829	YUDPSZZGQLOOFJ-CYBMUJFWSA-N	267.325	1.919	10	20	CDCD	
CC(C)OC[C@@H](CO)N(C)C(=O)c1cc(O)cs1	762920984	OELYVNZNJYADLM-SECBINFHSA-N	273.354	1.312	10	20	CDCD	
CC(C)CNC(=O)CNC(=O)N[C@H](C)c1ccccc1O	1118970823	PUFFLZOUJRMWET-LLVKDONJSA-N	293.367	1.525	10	20	CDCD	
CC[C@]1(C(=O)NCc2ccc(OC)cc2O)CCNC1	1118201571	ZHQWJHWVFIAIIX-HNNXBMFYSA-N	278.352	1.407	10	20	CDCD	
Cc1ccc(CN2CCn3nc(C)nc3C2)c(O)c1	876746836	PQIDGVXEMSLABG-UHFFFAOYSA-N	258.325	1.616	10	20	CDCD	
OC1CCN(c2ccc(CNCCN3CCC3)cc2)CC1	877110722	ADUJZZPWPJKGNF-UHFFFAOYSA-N	289.423	1.443	10	20	CDCD	
O=C(O)[C@H]1C[C@@H](NCc2cc(F)cc(F)c2O)C1	1119613703	LXCBWFQEFQZBMP-KZCWHLCOSA-N	257.236	1.623	10	20	CDCD	
COC(=O)c1cn(CCSc2nccs2)nn1	779369376	UCPGERYSZCAKEQ-UHFFFAOYSA-N	270.339	1.314	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1ccncn1	777668761	UOHWSIKTXKPSIN-UHFFFAOYSA-N	270.336	1.781	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNCc2ccon2)c1O	775028625	GCAIHFDJUAJWGI-UHFFFAOYSA-N	279.252	1.587	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)c1nccs1	772408155	RCHUTAOTIQVIOH-UHFFFAOYSA-N	250.279	1.484	10	20	CDCD	
CCN(C)c1ccc(Cn2cc([C@H](C)O)nn2)cc1	881314705	BEYOYCNMFWZJAQ-NSHDSACASA-N	260.341	1.836	10	20	CDCD	
Cn1ccnc1CNC(=O)/C=C\c1ccc(O)c(O)c1	779511375	IBDDGVCKQKPCEX-HYXAFXHYSA-N	273.292	1.161	10	20	CDCD	
CC(C)(CO)CCCNC(=O)c1cc(O)cs1	771038246	QMNMPNINCLUJJD-UHFFFAOYSA-N	257.355	1.982	10	20	CDCD	
CCN(C)c1ccc([C@@H](C)NCc2nnn(C)n2)cc1	787043615	VAMRXVFPKSRDDV-LLVKDONJSA-N	274.372	1.517	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H]2CCN(C3CC3)C2)c(O)c1O	780907793	XCRBJGLHPFPDPF-SNVBAGLBSA-N	276.336	1.373	10	20	CDCD	
COc1ccc(CNC[C@]2(OC)CCOC2)c(O)c1OC	893612139	NQZVXTYBPZHUJH-OAHLLOKOSA-N	297.351	1.305	10	20	CDCD	
Cn1cc(NC(=O)c2c(F)ccc(O)c2O)cn1	789954188	YHGIMRXXBACERF-UHFFFAOYSA-N	251.217	1.223	10	20	CDCD	
C[C@H]1C[C@@H](N)CN1C(=O)NCc1ccc(N(C)C)c(F)c1	891457171	XNAOPSNDNNJFCL-CMPLNLGQSA-N	294.374	1.523	10	20	CDCD	
C[C@@H](NCC(=O)NCC(F)F)c1ccccc1O	271700373	TXLABNAOQOSRHI-MRVPVSSYSA-N	258.268	1.424	10	20	CDCD	
COc1ncccc1CNC(=O)c1cccc(O)c1O	186884867	YVWRFGVCDRNOSC-UHFFFAOYSA-N	274.276	1.431	10	20	CDCD	
Cc1ccc(C(=O)OCCCN(C)C)c(O)c1O	791813665	FKQRTROIZWGBIG-UHFFFAOYSA-N	253.298	1.515	10	20	CDCD	
C[C@@](O)(CNCc1cc(F)cc(F)c1O)C1CC1	708437192	PRDVNVNGESMKAV-CYBMUJFWSA-N	257.280	1.921	10	20	CDCD	
COc1ccc(CNc2cncc(-n3cncn3)n2)c(O)c1	795286052	YPJUJLCUYZOXCS-UHFFFAOYSA-N	298.306	1.384	10	20	CDCD	
O=C(NC1CC1)[C@H]1CCCN(Cc2ccccc2O)C1	1337396120	OCZIJJVXBCLLHB-ZDUSSCGKSA-N	274.364	1.883	10	20	CDCD	
COc1ccc(CNC(=O)[C@H]2CCCCCN2)c(O)c1	1332449517	GVRJWUQAQGCLGY-CYBMUJFWSA-N	278.352	1.549	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)NCCCCN)c1	1345481638	FNIBYDMLYLZFCG-JTQLQIEISA-N	266.341	1.568	10	20	CDCD	
CCn1[nH]cnc1=NCCCSc1nccs1	1515460643	WTZABQWZFWPZKE-UHFFFAOYSA-N	269.399	1.771	10	20	CDCD	
NC(=O)N=Nc1ccc(C(=O)N[C@H]2C[C@H](C(=O)O)C2)cc1	1605634643	SITZLDSOCPKNFU-CZMCAQCFSA-N	290.279	1.442	10	20	CDCD	
COc1cccc(CNC2(CO)CCOCC2)c1O	227213979	JCADEKSHFBVAGP-UHFFFAOYSA-N	267.325	1.032	10	20	CDCD	
C[C@H](N)C(=O)N(C)Cc1ccc(N2CCCC2)cc1	1574104630	QZNHKTAXKPFCKY-LBPRGKRZSA-N	261.369	1.592	10	20	CDCD	
C[C@H]1CC[C@@H](NC(=O)NCc2cccc(Cl)c2O)CN1	1576666340	MOMBSSSLJRMVTC-GXSJLCMTSA-N	297.786	1.985	10	20	CDCD	
CC1(C(=O)O)CCN(C(=O)Cc2ccc(O)c(O)c2)CC1	1589191491	CEGDFVWSZVOWBO-UHFFFAOYSA-N	293.319	1.354	10	20	CDCD	
CN(C)c1ccc(CN2C[C@@H](O)C[C@H](C(=O)O)C2)cc1F	1598317732	KQTPAIXFPKWNIZ-RYUDHWBXSA-N	296.342	1.159	10	20	CDCD	
CN(C)CC[C@@H](NCc1cc(F)cc(F)c1O)C(=O)O	1777030916	MFYAACUGKADURK-LLVKDONJSA-N	288.294	1.165	10	20	CDCD	
C[C@H](C(=O)O)N(C)C(=O)NCc1ccc(N(C)C)cc1	908758944	UCHUNQULVIBGOW-SNVBAGLBSA-N	279.340	1.367	10	20	CDCD	
O=S1(=O)CCC[C@H]1CNCc1ccc2c(c1)CCO2	126767173	WQENBSBNMDDIOT-ZDUSSCGKSA-N	281.377	1.288	10	20	CDCD	
CN1CCC[C@@H](N2CCCc3cc(CN)ccc32)C1=O	852741521	UVDPPAWIDUAWKR-OAHLLOKOSA-N	273.380	1.519	10	20	CDCD	
Nc1ccc(CC(=O)N2CC[C@](O)(C(F)(F)F)C2)cc1	261767791	OJSJCYAUAQVTMS-GFCCVEGCSA-N	288.269	1.337	10	20	CDCD	
Cc1ccc(O)c([C@@H](C)NC[C@@H]2CCS(=O)(=O)C2)c1	38083264	RCJRJCPSWZXEIY-NEPJUHHUSA-N	283.393	1.786	10	20	CDCD	
C[C@H](NCc1cc(F)ccc1O)c1ncn(C)n1	276302674	UYCGNDJOSPNIGK-QMMMGPOBSA-N	250.277	1.511	10	20	CDCD	
Cc1ccc(O)c(CN[C@@H]2CS(=O)(=O)C[C@@H]2C)c1	288600461	PNXNGPYRXOXSFD-CMPLNLGQSA-N	269.366	1.223	10	20	CDCD	
C[C@@H](NCCN1CCC(O)CC1)c1cc(F)ccc1O	295801136	AHAKXXPGRWZQEP-LLVKDONJSA-N	282.359	1.639	10	20	CDCD	
O=C(O)[C@H]1CCC[C@H](C(=O)NCc2ccccc2O)C1	380355643	GRHQJYCUOSROQO-QWRGUYRKSA-N	277.320	1.899	10	20	CDCD	
Cc1ccc(O)c(CNC(C)(C)CS(C)(=O)=O)c1	391457178	KDQKWLJJDZGJII-UHFFFAOYSA-N	271.382	1.613	10	20	CDCD	
CNC(=O)CN(C)C(=O)c1ccc(-n2c(C)ccc2C)cc1	60884595	VNGCNQZJRYKZTC-UHFFFAOYSA-N	299.374	1.912	10	20	CDCD	
C[C@H](NCC1(CS(C)(=O)=O)CC1)c1ccccc1O	179904361	OVXZUIFGCHNTET-NSHDSACASA-N	283.393	1.868	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2cnc(Cl)cn2)c1	178241094	UBPLLAIRNAMTMU-UHFFFAOYSA-N	293.710	1.774	10	20	CDCD	
Cc1cnc(COCC(=O)NCc2ccc(N)cc2)o1	1342021544	MFATXSVYFJBYHU-UHFFFAOYSA-N	275.308	1.398	10	20	CDCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N[C@H]1CCOC1	179223119	LJSSQHOPRZAQRT-AWEZNQCLSA-N	287.363	1.651	10	20	CDCD	
CC[C@H](C)[C@H](N)C(=O)N(C)Cc1ccccc1O	37823759	XWUDTMQVKVYWJX-GWCFXTLKSA-N	250.342	1.724	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)CCOC[C@H]1CCCO1	77258408	RFTRCUQIGIWDNA-CQSZACIVSA-N	293.363	1.936	10	20	CDCD	
C[C@H](NCCS(C)(=O)=O)c1ccc(F)c(F)c1O	187677101	UWHCHRRWGHOPIH-ZETCQYMHSA-N	279.308	1.366	10	20	CDCD	
CNC(=O)CCCN(C)Cc1cc(OC)ccc1O	180506130	PIIQGSLZNGWKOZ-UHFFFAOYSA-N	266.341	1.359	10	20	CDCD	
C[C@@H](NCCN1C(=O)CNC1=O)c1cc(Cl)ccc1O	185201006	SBQNVAKPPFFDEK-MRVPVSSYSA-N	297.742	1.248	10	20	CDCD	
COc1ccc(O)c(CN[C@H](C(=O)O)C2CC2)c1	86758893	TXBBZUOFWGILEU-LBPRGKRZSA-N	251.282	1.354	10	20	CDCD	
C[C@H](C(=O)NCc1ccc(N(C)C)c(F)c1)[C@@H](C)N	192104470	QVRAKNGTBIMOJF-VHSXEESVSA-N	267.348	1.491	10	20	CDCD	
CC(C)[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)O	223932639	FYYRTNDEDHNLLP-RYWCDNDXSA-N	279.292	1.336	10	20	CDCD	
NC(=O)C[C@@H]1CCCN(Cc2cc3c(cc2O)OCO3)C1	93809210	RLICYLYOOFPNDW-JTQLQIEISA-N	292.335	1.208	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CNCC2CC2)cc1F	269247772	MWUZNKWSKVTKFK-UHFFFAOYSA-N	279.359	1.508	10	20	CDCD	
CCOC(=O)/C(=C\c1cnn(CC)c1)c1nccn1C	264807149	JJAOXQYSTJOJPY-WQLSENKSSA-N	274.324	1.740	10	20	CDCD	
CC(=O)c1cc(F)cc(CN(C)CCC(=O)O)c1O	269316103	ZQNAWVPHHXHLKB-UHFFFAOYSA-N	269.272	1.640	10	20	CDCD	
CC[C@@H]1CN(Cc2cc3c(cc2O)OCO3)C[C@@H]1O	271238508	BQEXJORRLDADAF-SKDRFNHKSA-N	265.309	1.324	10	20	CDCD	
CC(=O)NCCCN[C@H](C)c1cc([N+](=O)[O-])ccc1O	273437104	XIWXZMQPRATTKM-SECBINFHSA-N	281.312	1.477	10	20	CDCD	
C[C@@H](N[C@H](CO)c1cnn(C)c1)c1ccc(F)c(F)c1O	276885446	GQENYVDEKDBZGY-PRHODGIISA-N	297.305	1.788	10	20	CDCD	
CCOc1ccc(N(CC)Cc2nc(=O)[nH][nH]2)cc1	271663849	YMQNKDPWCPEXLW-UHFFFAOYSA-N	262.313	1.523	10	20	CDCD	
O=C(NCc1ccccc1O)[C@@]1(O)CCc2ccccc2C1	370276333	NCZHMIZJZALIFJ-GOSISDBHSA-N	297.354	1.928	10	20	CDCD	
COc1ccc(O)c(CN2CC[C@@H]3COC(=O)N[C@H]3C2)c1	281371191	VPOWXXSTFOJHGT-MFKMUULPSA-N	292.335	1.331	10	20	CDCD	
Cc1ccc(C(=O)N2CCCc3n[nH]cc32)c(O)c1O	280092187	LOXXQMMWPPUYPK-UHFFFAOYSA-N	273.292	1.722	10	20	CDCD	
CCN(CCOCCO)Cc1c(O)cccc1Cl	282726802	MBMAWYMQYMDJKQ-UHFFFAOYSA-N	273.760	1.876	10	20	CDCD	
Cc1cc(O)c(CNCCCn2cc(CO)nn2)cc1C	289436917	AHMVVNXOJKVYBL-UHFFFAOYSA-N	290.367	1.273	10	20	CDCD	
CCN(CCOCCO)Cc1ccc(N(C)C)c(F)c1	282826754	UONBURXXZXRZBM-UHFFFAOYSA-N	284.375	1.723	10	20	CDCD	
CC(=O)C(=O)COC(=O)c1[nH]c(C)c(C(C)=O)c1C	808483644	QRFMTXACFZVLGC-UHFFFAOYSA-N	265.265	1.149	10	20	CDCD	
CC[C@H]1CN(C(=O)c2c(F)ccc(O)c2O)C[C@H](C)O1	295357334	VVFNAMVJRWBGOV-IUCAKERBSA-N	283.299	1.876	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CCC(=O)N2C)c1	806791403	DTZALTMRMSQEGK-JOYOIKCWSA-N	292.335	1.199	10	20	CDCD	
C[C@@H](NCc1cc(Cl)c(F)cc1O)C(=O)N(C)C	816562828	APAXYAHSRNPYEM-SSDOTTSWSA-N	274.723	1.751	10	20	CDCD	
C[C@@H]1CO[C@@H](CO)CN1Cc1cc(Cl)c(F)cc1O	816521111	HIFUQUHEHLTSSH-PSASIEDQSA-N	289.734	1.766	10	20	CDCD	
COC(=O)N(C)CC(=O)N[C@@H](C)c1cc(OC)ccc1O	728977969	JGJQWGCHJLYLHD-VIFPVBQESA-N	296.323	1.276	10	20	CDCD	
COc1ccc(N2CCN(CC[C@H](C)O)CC2)cc1F	828031932	REEVFJSMEYVROJ-LBPRGKRZSA-N	282.359	1.727	10	20	CDCD	
CCN(CC)c1ccc(CN[C@@H](COC)C(=O)O)cc1	901475953	AXNARQIMEQZQPN-AWEZNQCLSA-N	280.368	1.722	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCC2(CC1)OCCO2	731868822	YIXFQWGWEBUPDJ-UHFFFAOYSA-N	269.322	1.433	10	20	CDCD	
CC[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)C(OC)OC	834419611	ZTBPTWAWUXZJLT-BPOWMSRESA-N	295.335	1.625	10	20	CDCD	
CC(C)OC(=O)[C@H](C)NC(=O)c1cccc(O)c1O	837027133	IKOPRPQMQSXMEU-QMMMGPOBSA-N	267.281	1.168	10	20	CDCD	
CCOc1ccc(O)c(CN(CCOC)CC(=O)O)c1	833663228	SNCAKSXXLYIQSS-UHFFFAOYSA-N	283.324	1.324	10	20	CDCD	
CN1CCN(c2ccc(CN[C@H]3C[C@H](N)C3)cc2)CC1	906517351	NYPJFLQQMPPJCK-SHTZXODSSA-N	274.412	1.018	10	20	CDCD	
CCNC(=O)C(C)(C)NC(=O)/C=C\c1ccc(O)c(O)c1	837267409	XMQQVNXMVSFMHD-VURMDHGXSA-N	292.335	1.142	10	20	CDCD	
CN(C)CCCCC(=O)NCc1ccc(O)cc1O	910953867	HJBGWGNNEZEZMK-UHFFFAOYSA-N	266.341	1.446	10	20	CDCD	
Nc1ccc(Cc2noc(COC3CCOCC3)n2)cc1	843159186	MDGRVCQJQVVZIX-UHFFFAOYSA-N	289.335	1.938	10	20	CDCD	
C[C@@H](NC(=O)N1CCC[C@@H](N)C1)c1ccc(N(C)C)cc1	841882180	XHAMWRDABOZKAO-TZMCWYRMSA-N	290.411	1.946	10	20	CDCD	
C[C@@H](CNCc1c(O)ccc(Cl)c1F)C(=O)O	848640176	OQAFOPXLYGDRMU-LURJTMIESA-N	261.680	1.995	10	20	CDCD	
CC[C@@H](O)[C@H](C)C(=O)NCc1ccc(O)cc1O	910942986	JKBATIBNNGZTEO-GZMMTYOYSA-N	253.298	1.121	10	20	CDCD	
CCOc1ccc(CN2C[C@H](CN)C[C@H]2C)c(O)c1	843057530	JLPTXSNSWAKTMP-NEPJUHHUSA-N	264.369	1.960	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)NC[C@]1(C)CCCNC1	841970230	KOELUOOXQNCTOX-MRXNPFEDSA-N	291.395	1.923	10	20	CDCD	
CO[C@@H](CC(=O)NCc1ccc(N)cc1)C(F)(F)F	846299147	WBUZLAWDCDSKGG-JTQLQIEISA-N	276.258	1.852	10	20	CDCD	
C[C@@H](CCO)N(C)Cc1cc2c(cc1O)OCO2	846111805	RJXGUGXRTQADDL-VIFPVBQESA-N	253.298	1.324	10	20	CDCD	
CO[C@@H](C)CNC(=O)NCCc1ccc(N)cc1	841960264	ZOXNZMSRURCZBA-JTQLQIEISA-N	251.330	1.145	10	20	CDCD	
CC[C@@H](NCCN1CC[C@H](O)C1)c1ccc(N(C)C)cc1	858598394	DRINWWGKOVDHNW-DLBZAZTESA-N	291.439	1.860	10	20	CDCD	
CCO[C@@H]1COCC[C@@H]1NCc1cc(C)ccc1O	759173997	SVOXJLYXRBBGSX-DZGCQCFKSA-N	265.353	1.984	10	20	CDCD	
C[C@@H](NCCN1CC[C@H](O)C1)c1ccc(N(C)C)cc1	858598510	FKGJRQVNBYRSLM-CJNGLKHVSA-N	277.412	1.470	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@]2(O)CCSC2)c1	765863022	GHFNKFNPNRVKPU-XPTSAGLGSA-N	297.376	1.446	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)C(C)(C)NC(C)=O)c1	761981789	IITOKBVWSNFAON-SECBINFHSA-N	294.351	1.493	10	20	CDCD	
CCN(Cc1cc(F)c(N(C)C)cc1F)[C@H]1CCNC1=O	862354204	ONPXHQTYHNXCPU-ZDUSSCGKSA-N	297.349	1.741	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)C2(C(N)=O)CCC2)c1	761981098	GAMJNXIGNCESPS-SECBINFHSA-N	292.335	1.234	10	20	CDCD	
COC(=O)C[C@@]1(NCc2cc(C)c(C)cc2O)CCOC1	766470299	SYTHLDLZWPMTCW-INIZCTEOSA-N	293.363	1.821	10	20	CDCD	
CN(Cc1cc(Cl)c(F)cc1O)[C@@]1(CO)CCOC1	862427959	JJCWJJGGALSDRY-CYBMUJFWSA-N	289.734	1.768	10	20	CDCD	
CCN(CCN)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	861620775	MBHJRVWNCLVEHZ-GFCCVEGCSA-N	278.400	1.804	10	20	CDCD	
CCN(CCOC)Cc1ccc(N2CCOCC2)cc1	768251393	DJWIYSXLPDVXME-UHFFFAOYSA-N	278.396	1.992	10	20	CDCD	
Cc1cccc(O)c1CN1CCC2(CC1)CNC(=O)N2C	877600683	QRZKKCNGSPEFDF-UHFFFAOYSA-N	289.379	1.690	10	20	CDCD	
Cc1cccc(O)c1CNCC(C)(C)N1CCN(C)CC1	876924724	UUQOTRVEJFOQOB-UHFFFAOYSA-N	291.439	1.816	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)CCCC(N)=O	776637155	RXFLYIVKUWYWKX-UHFFFAOYSA-N	291.395	1.757	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N1CCc2n[nH]cc2C1	779494338	YHODUTPMLOJVJF-RQOWECAXSA-N	285.303	1.419	10	20	CDCD	
COCCN(C)CCN[C@@H](C)c1c(O)cccc1F	886520339	BNPQVYOOTPWAEZ-NSHDSACASA-N	270.348	1.760	10	20	CDCD	
C[C@H](N[C@@H]1CCc2c(nnn2C)C1)c1c(O)cccc1F	886633089	MUFKCTPYQXIFSB-VHSXEESVSA-N	290.342	1.868	10	20	CDCD	
COCCOC(=O)NCc1ccc(N(C)C)cc1	884894687	YFZHBYOTYYAKOC-UHFFFAOYSA-N	252.314	1.625	10	20	CDCD	
C[C@@H](NCc1nnnn1CC1CC1)c1ccccc1O	784262937	KPENSODACKXSIH-SNVBAGLBSA-N	273.340	1.640	10	20	CDCD	
CN(Cc1ccncc1)C(=O)c1c(F)ccc(O)c1O	789946443	JJUHFUXQPXQKIE-UHFFFAOYSA-N	276.267	1.904	10	20	CDCD	
Nc1ccc(CCNC(=O)NC/C=C/Cl)cc1	1120664695	LBRTUCQSGZHROD-LREOWRDNSA-N	253.733	1.863	10	20	CDCD	
COc1ccc(CNC(=S)NC2CCOCC2)c(O)c1	795032692	WIASFMRHGRBGNF-UHFFFAOYSA-N	296.392	1.544	10	20	CDCD	
CO[C@@H]1[C@H](C)[C@@H](NC(=O)c2cccc(O)c2O)C1(C)C	790917020	YDTKAILBLKZMKF-BZHVJNSISA-N	279.336	1.887	10	20	CDCD	
O=C(Nc1cnn(-c2ccccc2)n1)c1cccc(O)c1O	790911878	UVOBAWQEIKPFCH-UHFFFAOYSA-N	296.286	1.931	10	20	CDCD	
CCO[C@@H](CC)C(=O)NCc1ccc(OC)cc1O	794387378	FORUOEZIIAYFHX-ZDUSSCGKSA-N	267.325	1.832	10	20	CDCD	
O=C(O)[C@@H](C[C@@H]1CCCO1)NCc1ccc2c(c1)CCO2	1332017926	VGLVLOQAALDSTF-UONOGXRCSA-N	291.347	1.733	10	20	CDCD	
CC[C@]1(C(=O)NCc2ccc(N(C)C)cc2)CCCN1	128980219	SDDCEMAWQPQJCZ-MRXNPFEDSA-N	275.396	1.901	10	20	CDCD	
O=C(O)c1cnc(SC[C@@H](O)Cn2cccn2)s1	1602536924	HKZQFBGXWIUYNU-ZETCQYMHSA-N	285.350	1.191	10	20	CDCD	
C[C@@H](NCC(C)(C)C(N)=O)c1cc(C(=O)O)ccc1O	1609774500	VSXRDBKKLCSMJQ-MRVPVSSYSA-N	280.324	1.253	10	20	CDCD	
CCCCC[C@@H](NC(=O)c1cccc(O)c1O)C(=O)O	1605259019	PZYRPCJOVOJCIO-SNVBAGLBSA-N	281.308	1.861	10	20	CDCD	
C[C@H]1[C@H](C(=O)O)CCN1Cc1ccc(F)c(F)c1O	1604637341	RFWRHWCNGVGHDW-IONNQARKSA-N	271.263	1.965	10	20	CDCD	
C[C@@H]1CCN(C(=O)c2c(F)ccc(O)c2O)C[C@@H]1C(=O)O	1589348038	LJRRZKXFFNTHQP-SFYZADRCSA-N	297.282	1.420	10	20	CDCD	
Nc1ccc(CC(=O)Nc2ncc3c(n2)COC3)cc1	1580443312	XBBUWKFOULTVSP-UHFFFAOYSA-N	270.292	1.270	10	20	CDCD	
COc1cc(C)cc(CN[C@H]2C[C@@H](C(=O)O)C2)c1O	1594054513	QZXDQXSMOGQGJN-JGZJWPJOSA-N	265.309	1.662	10	20	CDCD	
CCS(=O)(=O)N[C@@H](C)c1cc(OC)ccc1O	151306640	KFUCBNZIPBLFMP-QMMMGPOBSA-N	259.327	1.401	10	20	CDCD	
CCO[C@H]1C[C@](N)(C(=O)NCc2ccccc2O)C1(C)C	157717777	LBLPPLDHCHOFCT-BBRMVZONSA-N	292.379	1.541	10	20	CDCD	
O=C(O)[C@@H]1CSCCN(Cc2ccccc2O)C1	901892684	VKUNJQGHSPWBHG-NSHDSACASA-N	267.350	1.642	10	20	CDCD	
C[C@H](NCCO[C@@H]1CCOC1)c1ccccc1O	927083099	DRYVCYSETSYAMK-NWDGAFQWSA-N	251.326	1.848	10	20	CDCD	
COc1cccc(CN(C)[C@H]2CCC(=O)N(C)C2)c1O	862428940	XMPWQLTVXPEMEP-LBPRGKRZSA-N	278.352	1.453	10	20	CDCD	
CCOC(=O)C1=NN(c2ccccc2F)C(=O)[C@H]1C	871942593	VWEAFXHXXLPHLE-QMMMGPOBSA-N	264.256	1.728	10	20	CDCD	
COc1ccc(N2CCN(C[C@H](C)O)CC2)c(OC)c1	879463303	UZDHYMUTAGIZOG-LBPRGKRZSA-N	280.368	1.207	10	20	CDCD	
CO[C@@H]1COC[C@@H]1N[C@H](C)c1ccc(C)cc1O	840826983	YVRHBTBSAAWXIH-SCDSUCTJSA-N	251.326	1.765	10	20	CDCD	
O=C(NCc1c(O)ccc2c1CCCC2)N[C@H]1CCOC1	178774975	NDVDBENHVUKYIT-LBPRGKRZSA-N	290.363	1.859	10	20	CDCD	
COCCOCCN(C)c1ccc(OC)c(F)c1	177065669	MRYXGQIFLNXFPJ-UHFFFAOYSA-N	257.305	1.934	10	20	CDCD	
CN(C)c1ccc(CNC(=O)Cc2ccn(C)n2)cc1F	181257831	NQGAYRUZLOJICR-UHFFFAOYSA-N	290.342	1.484	10	20	CDCD	
COc1cccc(CN(CCO)CC(F)F)c1O	193023163	LHBUPDVGPFQAFV-UHFFFAOYSA-N	261.268	1.460	10	20	CDCD	
COc1cc(O)c(CNCCCCO)cc1OC	194530780	BYDMDUUTVYLWAX-UHFFFAOYSA-N	255.314	1.272	10	20	CDCD	
C[C@@H](CO)N(Cc1ccc(N(C)C)cc1)C[C@@H](C)O	191221108	XBLUSLKKYPXWBX-QWHCGFSZSA-N	266.385	1.316	10	20	CDCD	
CC(=O)c1cc(F)cc(CN(C)C(C)(C)CO)c1O	135834767	SLJLNYMYQFAWJN-UHFFFAOYSA-N	269.316	1.937	10	20	CDCD	
CCOc1ccc(O)c(CN2CCNC(=O)[C@H]2CC)c1	93050606	PDTSZQRRJMVDSY-CYBMUJFWSA-N	278.352	1.501	10	20	CDCD	
Cc1cc(O)c(CN(C)CC(C)(CO)CO)cc1C	93502652	AGQUWDLKYVWSHH-UHFFFAOYSA-N	267.369	1.432	10	20	CDCD	
Cc1cc(O)c(CN(C)[C@@H]2CCN(C)C2=O)cc1C	265726717	PAARXCZMLXNBOS-CYBMUJFWSA-N	262.353	1.672	10	20	CDCD	
C[C@@H](CCN(C)C)NC(=O)/C=C/c1ccc(O)c(O)c1	272515139	VDDBZMAALLWOET-ZRQQLDRUSA-N	278.352	1.567	10	20	CDCD	
COc1cc(O)c(CN2C[C@@H]3CCCN[C@@H]3C2)cc1OC	271807696	LPGJMSYLKMGASH-WCQYABFASA-N	292.379	1.593	10	20	CDCD	
C[C@@H](CO[C@H]1CCOC1)NC(=O)c1cccc(O)c1O	279360108	SQLGIPOOYUUAIY-UWVGGRQHSA-N	281.308	1.022	10	20	CDCD	
COC[C@@H](NCc1cc(OC)ccc1O)[C@H]1CCCO1	279377751	IOVXOPOKPMTJDT-UKRRQHHQSA-N	281.352	1.684	10	20	CDCD	
COC(=O)c1cnc(S[C@@H](C)C(=O)N(C)C)s1	295291120	LKTKUANXCJKIEH-LURJTMIESA-N	274.367	1.499	10	20	CDCD	
Cc1cc(Cl)cc([C@H](C)NC[C@@H](O)CN(C)C)c1O	808693996	XHULROOXHYNYJO-CMPLNLGQSA-N	286.803	1.927	10	20	CDCD	
C[C@@H]1CN(C(=O)c2c(F)ccc(O)c2O)C[C@H](C2CC2)O1	296319259	ORBNTHYVTPDJBZ-PRHODGIISA-N	295.310	1.876	10	20	CDCD	
Cc1ccc(C(=O)N(C)[C@@H](C)C(C)(C)O)c(O)c1O	297064171	WLCHLHRCFCFGNJ-VIFPVBQESA-N	267.325	1.638	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N(C)C1CC1	807102727	ICDOUQBVNBOBDF-UHFFFAOYSA-N	289.379	1.298	10	20	CDCD	
Cc1cc(O)c(CNC[C@H]2CCCS(=O)(=O)C2)cc1C	290110082	LCGOKCDHOGDOQB-CYBMUJFWSA-N	297.420	1.923	10	20	CDCD	
C[C@@H](NC(=O)c1cccc(O)c1O)c1ccnc(O)c1	818026736	JJFJZWDGRIXRME-MRVPVSSYSA-N	274.276	1.689	10	20	CDCD	
O=C(NCCCC1(O)CCC1)c1c(F)ccc(O)c1O	817769722	STHRUGMLGSTTIS-UHFFFAOYSA-N	283.299	1.662	10	20	CDCD	
O=C1CN(Cc2ccccc2O)C(=O)N1OCC1CC1	819168942	DGWLBISUBGHBSC-UHFFFAOYSA-N	276.292	1.498	10	20	CDCD	
C[C@@H]1CCNCC[C@H]1NC[C@H](N)c1ccc(N(C)C)cc1	817943014	SMWQORKTUNKDNX-XOKHGSTOSA-N	290.455	1.730	10	20	CDCD	
COC[C@H](C)NC(=S)N[C@@H](C)c1cc(OC)ccc1O	728793492	TWETZEYFXGJUSA-UWVGGRQHSA-N	298.408	1.961	10	20	CDCD	
CO[C@@H]1CCOC[C@H]1N[C@H](C)c1cc(F)ccc1O	724889853	QLWFVHJOAGIQEI-GAJTVXKRSA-N	269.316	1.986	10	20	CDCD	
COc1ccc(CNC(=O)N[C@H]2CO[C@H](C)C2)c(O)c1	827617974	MOPNLSPKIQJKSG-MWLCHTKSSA-N	280.324	1.377	10	20	CDCD	
OCCCN1CCC[C@H](NCc2cc(Cl)ccc2O)C1	824583234	JRILWVNPRYMMRU-AWEZNQCLSA-N	298.814	1.982	10	20	CDCD	
CN(C)c1ccc([C@@H](CNCC2(O)CCC2)N(C)C)cc1	905704273	MRTQMQUDKFEFGP-MRXNPFEDSA-N	291.439	1.860	10	20	CDCD	
COc1cc(O)c(CNCCC(C)(C)N)cc1OC	903938459	BOEWVXZDPDRNLO-UHFFFAOYSA-N	268.357	1.626	10	20	CDCD	
CCCN[C@H](C)C(=O)NCc1ccc(OC)cc1O	832177784	GMQNGZPIXWLQPU-SNVBAGLBSA-N	266.341	1.405	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCC(N2CCNC2=O)CC1	732273992	NBLLFHSMGXTMOV-UHFFFAOYSA-N	295.364	1.084	10	20	CDCD	
Cc1cc(O)c(CN2CCO[C@H](CC(=O)O)C2)cc1C	832898023	AXMAQRMNZDQKBH-CYBMUJFWSA-N	279.336	1.685	10	20	CDCD	
C[C@@H](Cc1cnc[nH]1)C(=O)NCCc1ccc(N)cc1	911782456	JMVHEHXELGLTBU-NSHDSACASA-N	272.352	1.529	10	20	CDCD	
C[C@H](NC(=O)[C@H](O)C1CC1)c1ccc(N(C)C)cc1	832431568	QZTFNHWWVJTIAR-IINYFYTJSA-N	262.353	1.701	10	20	CDCD	
CN(CC1(O)CCCC1)C(=O)NCCc1ccc(N)cc1	841960996	YXQQRYAKUGNJMU-UHFFFAOYSA-N	291.395	1.758	10	20	CDCD	
C[C@H]1CCCN(C(=O)C(=O)Nc2ccc(N)cc2)[C@@H]1C	841047483	CCYSJGPJDJQCPE-WDEREUQCSA-N	275.352	1.854	10	20	CDCD	
CN(C)c1ccc([C@H](N)CNCc2ccccn2)cc1	841042329	IEEQIPCDDVWDAF-MRXNPFEDSA-N	270.380	1.937	10	20	CDCD	
COc1cccc([C@@H](C)NC[C@]2(C)CCC(=O)N2)c1O	846168246	IYMYYQBAPBLUST-BMIGLBTASA-N	278.352	1.720	10	20	CDCD	
O=C(OCCCN1CCCC1=O)c1cccc(O)c1O	758573145	PNJQSYTZLSNMHU-UHFFFAOYSA-N	279.292	1.267	10	20	CDCD	
Cc1ccc(C(=O)N(C)C2(CO)CC2)c(O)c1O	854435848	JAZWRXLXJHCLLP-UHFFFAOYSA-N	251.282	1.003	10	20	CDCD	
CCOc1ccc(CN(C)CC(=O)NC2CC2)c(O)c1	768204214	SEYKFVCPRVUNOA-UHFFFAOYSA-N	278.352	1.501	10	20	CDCD	
C[C@@H](NS(=O)(=O)CCOCC1CC1)c1ccccc1O	867835348	XMYKHKNTFIFIMC-LLVKDONJSA-N	299.392	1.799	10	20	CDCD	
CO[C@@]1(CN(C)c2ccc3c(c2)OCO3)CCOC1	877179645	FFGOOODXOQWTJW-CQSZACIVSA-N	265.309	1.657	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)c1	875694652	RXZFOTINWMLMGP-BZPMIXESSA-N	276.336	1.820	10	20	CDCD	
COc1cc(O)c(CNCCC[S@](C)=O)cc1OC	776208834	LTLXXZUMLFMUKW-IBGZPJMESA-N	287.381	1.268	10	20	CDCD	
C[C@@H]1NC(=S)N([C@H](C)c2ccc(N(C)C)cc2)C1=O	773899570	QGKGHZVOEWMJIN-VHSXEESVSA-N	277.393	1.919	10	20	CDCD	
CCN(CCC(=O)NC)C(=O)/C=C/c1ccc(O)c(O)c1	888268168	KJYPUMIWMWULAG-FNORWQNLSA-N	292.335	1.096	10	20	CDCD	
COC(=O)CCN(Cc1ccc(N)cc1)C[C@@H]1CCCO1	1120262632	BNGFQGQWRSNJNM-HNNXBMFYSA-N	292.379	1.813	10	20	CDCD	
O=C(NCc1cccc(O)c1O)C1SCCS1	1123978955	YLRJOGAINNGUSN-UHFFFAOYSA-N	271.363	1.520	10	20	CDCD	
Oc1c(F)cc(F)cc1CNCc1nnnn1CC1CC1	883090733	TVPCNADNGVHHJE-UHFFFAOYSA-N	295.293	1.357	10	20	CDCD	
C[C@@H]1CCN2[C@@H](C1)C(=O)N[C@H]2c1cc(F)cc(F)c1O	887329357	FSFGLOBAGHMZOF-BITCUVMXSA-N	282.290	1.899	10	20	CDCD	
COc1cccc(CNC(=O)[C@@]2(OC)CCSC2)c1O	896115150	BBAVLWFMOFTSTB-CQSZACIVSA-N	297.376	1.539	10	20	CDCD	
COc1cc(C)cc(CNCc2cnnn2C)c1O	894785654	YGDSYANWLOUALZ-UHFFFAOYSA-N	262.313	1.128	10	20	CDCD	
C[C@]1(CO)C[C@@H](O)CN1Cc1cc(Cl)c(F)cc1O	895326469	YCMHYRHZKKQUQL-NOZJJQNGSA-N	289.734	1.502	10	20	CDCD	
COc1cc(C)cc(CNCc2cn(C)cn2)c1O	898042810	YKKIEKNYFUPZJK-UHFFFAOYSA-N	261.325	1.733	10	20	CDCD	
COCCN(C[C@@H](C)O)c1ccc(OC)c(OC)c1	192760502	AWRRVZVLEXGKRM-LLVKDONJSA-N	269.341	1.537	10	20	CDCD	
CCO[C@H]1COCC[C@@H]1NCc1ccccc1O	686591886	CPIAJXLUGVXQAU-JSGCOSHPSA-N	251.326	1.676	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NC[C@@H]2CCOC2)c1	1331277046	FXEJJDRMLMUZFR-NSHDSACASA-N	264.325	1.536	10	20	CDCD	
Cc1nn[nH]c1-c1nnc(N(C)Cc2ccccc2O)n1C	1339805376	IQCIBHBNPZDXBF-UHFFFAOYSA-N	299.338	1.251	10	20	CDCD	
O=C(O)CCCC(=O)NCc1c(O)cccc1F	1339193304	ISFHUEYIOQDMOD-UHFFFAOYSA-N	255.245	1.402	10	20	CDCD	
Cn1nnnc1N(Cc1ccccc1O)C[C@@H]1CCCO1	1340208281	HNSGOEXYAWAVDB-LBPRGKRZSA-N	289.339	1.101	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@]2(F)CCOC2)c1	1261832024	ZSJUMXDSRLZLHK-ZDUSSCGKSA-N	253.273	1.445	10	20	CDCD	
O=Cc1cnc(Sc2ncc(C(=O)O)s2)nc1	1602669290	IVGDFIBTCOEZMD-UHFFFAOYSA-N	267.291	1.595	10	20	CDCD	
COC[C@@](C)(CC(=O)O)NCc1cc(C)c(C)cc1O	1610243723	PHASOWXEVGVVAI-OAHLLOKOSA-N	281.352	1.978	10	20	CDCD	
COc1cc(C)c(CN2CC[C@H]3NCC[C@@H]3C2)c(O)c1	1579144435	GJYOMLCPBNDRRQ-IUODEOHRSA-N	276.380	1.893	10	20	CDCD	
CNC(=O)C[C@H](C)N[C@H](C)c1ccc(F)cc1O	322515740	KDNBEFNCKLKMBN-DTWKUNHWSA-N	254.305	1.707	10	20	CDCD	
CNC(=O)C[C@H](C)N[C@@H](C)c1ccc(C)cc1O	322670500	FRFMXVWCRQPXLR-QWRGUYRKSA-N	250.342	1.876	10	20	CDCD	
CS[C@@H](CO)[C@H](C)NCc1cccc(C)c1O	224856042	YIGYDLBQYCDXDS-JQWIXIFHSA-N	255.383	1.903	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CCC[C@@H](N)C2)c1O	50149747	DUMVRHNSFGGSSU-GFCCVEGCSA-N	266.316	1.657	10	20	CDCD	
COc1cccc(CN2CCC[C@H](OCCO)C2)c1O	179577724	FUKHVOBDBAFZDP-ZDUSSCGKSA-N	281.352	1.374	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)c1cccc2[nH]cnc12	122927129	VWKQCNIQHPTDOM-UHFFFAOYSA-N	297.314	1.947	10	20	CDCD	
CO[C@@H](C)CC(=O)N[C@H](C)Cc1ccc(O)c(O)c1	183478351	OXKDPHUGWASERC-ZJUUUORDSA-N	267.325	1.570	10	20	CDCD	
COc1cc(O)c(CN2CCC[C@H](CO)C2)cc1OC	183371075	FLQLVUVKFIQDJO-NSHDSACASA-N	281.352	1.614	10	20	CDCD	
C[C@@H](NC[C@@H]1CCCS(=O)(=O)C1)c1ccccc1O	284235046	VGJHSWXFUYFUIN-NEPJUHHUSA-N	283.393	1.868	10	20	CDCD	
CCOc1cccc(CN(CC)CC(=O)O)c1O	86775151	AAHWBRYRUDMIKN-UHFFFAOYSA-N	253.298	1.697	10	20	CDCD	
Cc1ccc(O)c(CN2CCC[C@@]23CCOC3=O)c1	190043819	AGKUMGXASHRBEG-HNNXBMFYSA-N	261.321	1.982	10	20	CDCD	
CCOC[C@@H](O)CN(CC)c1ccc(OC)cc1	269668461	ZRZCPJGEZZWBTC-ZDUSSCGKSA-N	253.342	1.919	10	20	CDCD	
O=C(NC[C@@H]1CCCO1)c1c(F)ccc(O)c1O	276720399	RZVLJSCBFVPJNB-ZETCQYMHSA-N	255.245	1.146	10	20	CDCD	
C[C@H]1CN(C(=O)c2c(F)ccc(O)c2O)CC(C)(C)O1	276639212	URJOIUOTQLHUAQ-QMMMGPOBSA-N	283.299	1.876	10	20	CDCD	
CCOc1cccc(CN2C[C@H](CC)[C@@H](O)C2)c1O	271265158	IEENQVKFWGZWJY-AAEUAGOBSA-N	265.353	1.994	10	20	CDCD	
COCC[C@@H](CO)N[C@H](C)c1cc(C)ccc1O	281702431	STTUCNDNAGZJOV-NEPJUHHUSA-N	253.342	1.749	10	20	CDCD	
COc1cccc(CNCc2cnc3cnccn23)c1O	809740348	UWMXAXQBIUXRBM-UHFFFAOYSA-N	284.319	1.733	10	20	CDCD	
COC[C@]1(C(=O)OC)CCN(Cc2cc(F)ccc2O)C1	295139986	ZKXMSBMNSVWMOW-HNNXBMFYSA-N	297.326	1.543	10	20	CDCD	
O=C(c1c(F)ccc(O)c1O)N1CCC[C@@H](CCO)CC1	817770853	MRGSTAAQEXMMJH-SNVBAGLBSA-N	297.326	1.862	10	20	CDCD	
CNCCCN[C@H](C)c1cc(C(=O)OC)ccc1O	817942270	ZSGOIUYVBPUFMN-SNVBAGLBSA-N	266.341	1.439	10	20	CDCD	
COC[C@@]1(CO)CCN(Cc2ccc(N(C)C)c(F)c2)C1	825158399	KLKKUAHKPYDUFC-INIZCTEOSA-N	296.386	1.723	10	20	CDCD	
Cc1cc(O)c(CNC[C@@]2(O)CCOC2)cc1Cl	825378835	HUXNJWLEBZZNID-ZDUSSCGKSA-N	271.744	1.595	10	20	CDCD	
O=C1NC(=S)S/C1=C/c1ccc(-c2nn[nH]n2)s1	823542406	VTFUTQXTTKSBFR-ZZXKWVIFSA-N	295.374	1.417	10	20	CDCD	
CCOc1ccc(CNC[C@](C)(O)CCOC)c(O)c1	734846793	RBCFPBQAWDSFCZ-OAHLLOKOSA-N	283.368	1.668	10	20	CDCD	
O=C(O)CN(Cc1ccc(N2CCOCC2)cc1)C1CC1	901974896	KIULAXDRTFPXIB-UHFFFAOYSA-N	290.363	1.572	10	20	CDCD	
C[C@H](N[C@H](C)C(=O)O)c1ccc(N2CCOCC2)cc1	737689533	JVTHCELOBPUVSB-NWDGAFQWSA-N	278.352	1.647	10	20	CDCD	
CCC1(CNC(=O)/C=C/c2ccc(O)c(O)c2)COC1	836990652	RLSDHPMSFKPZIQ-GQCTYLIASA-N	277.320	1.654	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNC[C@@H]2CC[C@@H](C)O2)c1O	835087800	RDXJYBWROHBVHV-KOLCDFICSA-N	296.323	1.966	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@H](C)CC(=O)O)c1	832424444	FAQMALQVJXGUIA-RKDXNWHRSA-N	281.308	1.689	10	20	CDCD	
CO[C@H](CC(=O)NCc1ccc(O)cc1O)C(F)(F)F	910944129	SBVQACATOYHYGA-SNVBAGLBSA-N	293.241	1.681	10	20	CDCD	
CC[C@H](NC[C@H](O)Cn1ccnn1)c1ccc(F)cc1O	840803722	UTGVYRHMAKXBGV-AAEUAGOBSA-N	294.330	1.225	10	20	CDCD	
COC(C)(C)CC(=O)NCc1ccc(O)cc1O	910945487	AQQPNZGLLRCXHD-UHFFFAOYSA-N	253.298	1.529	10	20	CDCD	
CCN1C[C@H](CNCc2c(O)cccc2OC)CC1=O	846092528	FHVKDJDOJONSGR-NSHDSACASA-N	278.352	1.359	10	20	CDCD	
COc1cc(O)c(CN[C@H]2CCNCC2(C)C)cc1OC	841072580	LAKZFFNLDSOHLD-HNNXBMFYSA-N	294.395	1.887	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CCNCC2(C)C)c1O	843352491	LPIAYASBFREHKZ-UHFFFAOYSA-N	280.343	1.918	10	20	CDCD	
CC(C)[C@H]1CN(Cc2cc3c(cc2O)OCO3)CCN1	843103885	DRLMFEQTRHHDJJ-GFCCVEGCSA-N	278.352	1.551	10	20	CDCD	
CCn1nccc1CNCc1cc([N+](=O)[O-])ccc1O	753848457	FHUPSPFZHYHOKJ-UHFFFAOYSA-N	276.296	1.807	10	20	CDCD	
CN(C(=O)CC1(CS(C)(=O)=O)CC1)c1ccc(N)cc1	877077382	GETVANLYDNWUEY-UHFFFAOYSA-N	296.392	1.447	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NCC(=O)Nc2ccon2)c1	775372642	DYVDVLMHTYPDRH-SECBINFHSA-N	291.307	1.678	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)C(=O)Nc1ccccc1	778924671	CTBPOOGGCUJIRU-UHFFFAOYSA-N	286.287	1.353	10	20	CDCD	
O=C(COC(=O)[C@H]1C[C@@]12CCOC2)c1ccc(O)c(O)c1	784728880	LKFVWGUGGVSCOT-MEBBXXQBSA-N	292.287	1.250	10	20	CDCD	
COc1cc(C)cc(CN2C[C@H](C)[C@@H](O)C2)c1O	897676764	XKZBATCOYWECQZ-JQWIXIFHSA-N	251.326	1.522	10	20	CDCD	
Cc1cnn(C)c1S(=O)(=O)Nc1ccc(O)cc1	795276257	NSACDQXYFFYQAV-UHFFFAOYSA-N	267.310	1.235	10	20	CDCD	
Cc1ccccc1[C@H](CO)NC(=O)c1cccc(O)c1O	790915449	APCJYEWBLJQEOV-ZDUSSCGKSA-N	287.315	1.870	10	20	CDCD	
CN1CCC[C@@H](NCc2ccc3c(c2)CCO3)C1=O	704345312	ONSRLISRDGOEOP-CYBMUJFWSA-N	260.337	1.332	10	20	CDCD	
CCc1cccc(CN(CC(N)=O)CC(C)C)c1O	709350687	GPXNYQLHKFYNGD-UHFFFAOYSA-N	264.369	1.898	10	20	CDCD	
C[C@@H]1C[C@H](CNC(=O)c2cccc(O)c2O)[C@@H](C)O1	686402243	XEMLRWQYJVQBOK-OPRDCNLKSA-N	265.309	1.641	10	20	CDCD	
C[C@@H](NC(=O)NCCCCN)c1ccc(N(C)C)cc1	1325366678	NYLSBJMGCITYEX-GFCCVEGCSA-N	278.400	1.852	10	20	CDCD	
Cn1c(-c2sccc2O)nnc1N1C[C@@H]2[C@H](C1)C2(F)F	1339573124	MPQKVJFENAPPLG-KNVOCYPGSA-N	298.318	1.951	10	20	CDCD	
CO[C@@H]1CCN(C(=O)NCc2ccc(N)cc2)C[C@H]1C	1335726735	WUOJEPTZMPQMHC-BXUZGUMPSA-N	277.368	1.835	10	20	CDCD	
O=C(NCc1cccc(O)c1O)C1(C(F)F)CC1	1350299536	CQQGXBZCDCNUFU-UHFFFAOYSA-N	257.236	1.759	10	20	CDCD	
Cc1ccc(CN2CC(n3cc(C(=O)O)nn3)C2)c(O)c1	1600413073	OMIWNBHIWYPBKZ-UHFFFAOYSA-N	288.307	1.047	10	20	CDCD	
O=C(O)c1ccc(CNC(=O)c2cccc(O)c2O)nc1	1608884686	LGORWUJJAMBBEW-UHFFFAOYSA-N	288.259	1.121	10	20	CDCD	
COCC[C@@H](N)C(=O)NCc1c(O)ccc2ccccc12	1573974407	GLVQXNOMSANLMQ-CQSZACIVSA-N	288.347	1.525	10	20	CDCD	
C[C@@H](CN[C@H](C)c1cc([N+](=O)[O-])ccc1O)C(=O)O	1589067456	NCVVBVGQSNAYKO-JGVFFNPUSA-N	268.269	1.672	10	20	CDCD	
C/C(=C/CNC(=O)N[C@H](C)c1ccccc1O)C(=O)O	1588973028	JAIHXKRGJBPENR-UJICNMFASA-N	278.308	1.783	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@H](C)CC(=O)O)c1	1594105857	OUZWFNDBYHCFMZ-BDAKNGLRSA-N	296.323	1.624	10	20	CDCD	
C[C@@H](CC(=O)O)CC(=O)NCc1c(O)cccc1F	1592387956	JBPNZJKHZHDORB-MRVPVSSYSA-N	269.272	1.648	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)[C@H]1CCCS1	158963468	RSVDCTWQUJJFSY-LLVKDONJSA-N	253.323	1.610	10	20	CDCD	
CNC[C@H]1CCCCN1C(=O)c1cccc(O)c1O	126667415	VBRRLBHSPZUYIO-SNVBAGLBSA-N	264.325	1.312	10	20	CDCD	
CN(Cc1ccccc1O)c1ncc(C(=O)O)cn1	1777076892	HDEMKKJCGYGKMS-UHFFFAOYSA-N	259.265	1.517	10	20	CDCD	
CNC[C@@H]1CCCN(Cc2cc(OC)ccc2O)C1	40593298	XNAOJMZQMGPZAA-LBPRGKRZSA-N	264.369	1.832	10	20	CDCD	
CCN(CCO)Cc1cc(F)cc(C(C)=O)c1O	50134560	SOWOZDUSEZSGJI-UHFFFAOYSA-N	255.289	1.548	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)C(=O)NC2CC2)cc1	172199342	QRPXWPGZXLIFGK-UHFFFAOYSA-N	289.379	1.428	10	20	CDCD	
Cc1ccc(C(=O)N2CCC[C@H]2C(=O)N(C)C)c(O)c1O	177683862	STEGSNDAHNVZHX-NSHDSACASA-N	292.335	1.099	10	20	CDCD	
Nc1ccc(CN2CCS(=O)(=O)[C@H]3CCCC[C@H]32)cc1	1262488268	WPPHSGRWQPXZQC-CABCVRRESA-N	294.420	1.810	10	20	CDCD	
C[C@@H]1CN(C(=O)c2cccc(O)c2O)CCCO1	126394261	IFPRMUNHUNKBRP-SECBINFHSA-N	251.282	1.349	10	20	CDCD	
COc1ccc(O)c(CN2CCC[C@@H](OCCO)C2)c1	180175444	JBMABYLLMNHQKF-CQSZACIVSA-N	281.352	1.374	10	20	CDCD	
CC(C)N(CCS(C)(=O)=O)Cc1ccc(N)cc1	37744024	FWCDOIICJITCJN-UHFFFAOYSA-N	270.398	1.524	10	20	CDCD	
CC(C)CC[C@H](C)NC=C1C(=O)N(C)C(=O)N(C)C1=O	72680389	SFSYLFHCNLFPFC-JTQLQIEISA-N	281.356	1.335	10	20	CDCD	
Cc1cc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)n(C)n1	183438734	MHWBNZQVZMWUHM-VIFPVBQESA-N	289.335	1.501	10	20	CDCD	
Cc1ccc(C)n1-c1ccc(C(=O)NOCC(N)=O)cc1	89463310	JXFFLJPZHZOQOL-UHFFFAOYSA-N	287.319	1.241	10	20	CDCD	
C[C@@H](NCC(=O)N1CCOCC1)c1cc(F)ccc1O	181232856	XBVPJJFVPGTFNO-SNVBAGLBSA-N	282.315	1.041	10	20	CDCD	
CC[C@@H](C)N(C)CCNC(=O)c1c(F)ccc(O)c1O	276553320	KOPZEJOHLLSOTJ-SECBINFHSA-N	284.331	1.697	10	20	CDCD	
Cc1ccc([C@H](C)N[C@@H]2CC(=O)N(C)C2)c(O)c1C	273578092	MDVGDMLHNYJAIR-NWDGAFQWSA-N	262.353	1.890	10	20	CDCD	
COc1ccc(O)c(CN[C@H]2CCO[C@@]3(CCOC3)C2)c1	378452016	FYQFHEABFRCLSC-BBRMVZONSA-N	293.363	1.829	10	20	CDCD	
COc1cc(OCC(=O)C(C)=O)ccc1[N+](=O)[O-]	289810474	ZEZANOHGICRQDU-UHFFFAOYSA-N	253.210	1.140	10	20	CDCD	
C[C@@H]1C[C@@H](C)[C@@H](C(=O)OCC(=O)c2ccc(O)c(O)c2)O1	800299651	KPSGEHNBZMGING-NUPCCRGMSA-N	294.303	1.637	10	20	CDCD	
C[C@@H](NC[C@H]1CNCCCO1)c1ccc(N(C)C)cc1	817979642	CINCVFCBHITNRV-CZUORRHYSA-N	277.412	1.782	10	20	CDCD	
CN(Cc1ccccc1O)c1ncccc1-c1nn[nH]n1	825980709	HNEWUKBIEUDZEY-UHFFFAOYSA-N	282.307	1.604	10	20	CDCD	
CNCCC(=O)NC1CCN(c2ccc(OC)cc2)CC1	828353417	OHBQOUZICVIROD-UHFFFAOYSA-N	291.395	1.390	10	20	CDCD	
COc1cccc(O)c1CN1CC[C@@H]2NC(=O)CC[C@@H]2C1	827141809	YCSDTELEKDGMIF-YPMHNXCESA-N	290.363	1.501	10	20	CDCD	
C[C@@H](NC[C@H](c1ccc(N(C)C)cc1)N(C)C)C1CNC1	902517033	JELWTGSLWGVKGK-CXAGYDPISA-N	290.455	1.553	10	20	CDCD	
Cc1nn(C)cc1CC(=O)NCc1ccc(N(C)C)cc1	822226832	JOQQMYHKJSORTA-UHFFFAOYSA-N	286.379	1.653	10	20	CDCD	
COc1cccc(CN2CC(O)(C(C)C)C2)c1O	839133539	ULLGGOSDXDVGIX-UHFFFAOYSA-N	251.326	1.604	10	20	CDCD	
CN(C)c1ccc(CNC(=O)C[C@H]2CCOC2)cc1	739485307	QFUFOYDSVKSCSA-CYBMUJFWSA-N	262.353	1.795	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)NC[C@H](O)C1CC1	734687586	KIUNNJCQXCOQCM-HNNXBMFYSA-N	291.395	1.631	10	20	CDCD	
Cc1c[nH]nc1CNC[C@H](N)c1ccc(N(C)C)cc1	841040952	DDGJGPOABFFMDS-AWEZNQCLSA-N	273.384	1.574	10	20	CDCD	
CCCN1CC(=O)N[C@H]1c1cc(OCC)ccc1O	840821889	HIBWJPMTTRAJRI-CQSZACIVSA-N	264.325	1.631	10	20	CDCD	
CS(=O)(=O)CC1(CNCc2ccccc2O)CCC1	840976504	XBQFCGSEHNAJKV-UHFFFAOYSA-N	283.393	1.697	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNCC2(N)CCC2)c1O	841048071	GPIFDXVPUYKDIX-UHFFFAOYSA-N	281.312	1.280	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNCc1nnnn1C1CC1	840935796	YYGWICXCALMUGT-UHFFFAOYSA-N	286.383	1.672	10	20	CDCD	
CCc1cccc(CN2CC[C@](CO)(COC)C2)c1O	848915563	XSMWGOMVENTHMF-INIZCTEOSA-N	279.380	1.785	10	20	CDCD	
CN(C)CCNC(=S)NCc1ccc(N(C)C)c(F)c1	746685548	UFMUARLZRMFKJQ-UHFFFAOYSA-N	298.431	1.417	10	20	CDCD	
C[C@@H](C[C@@H](C)N)NCc1ccc(N2CCN(C)CC2)cc1	843129989	WIBRDMHGHYFHOL-CABCVRRESA-N	290.455	1.654	10	20	CDCD	
NC[C@@H]1CCN(Cc2ccc(N3CCOCC3)cc2)C1	843048724	UFBPKFQYOZBAFL-HNNXBMFYSA-N	275.396	1.304	10	20	CDCD	
COC[C@](C)(NCc1ccc(OC)c(C)c1)C(=O)O	841800289	BXBXAKGVKPDGCT-AWEZNQCLSA-N	267.325	1.583	10	20	CDCD	
CNC[C@@H]1C[C@H](F)CN1Cc1cc(C)ccc1O	843121314	CVYHGIHAUWXXIQ-STQMWFEESA-N	252.333	1.832	10	20	CDCD	
CC(C)[C@H](CNC(=O)N(C)Cc1ccccc1O)C(=O)O	848593063	WVGGHDRUBOAOKQ-LBPRGKRZSA-N	294.351	1.890	10	20	CDCD	
CN1CCN(c2ccc(CN[C@H]3CCC[C@@H]3N)cc2)CC1	925764474	ZNFAARXDTQVPPZ-IRXDYDNUSA-N	288.439	1.408	10	20	CDCD	
C[C@H](N[C@@H](C)[C@H]1CN(C)CCO1)c1ccc(F)cc1O	756759550	MNEDUVBBYOBHLD-ZIBATOQPSA-N	282.359	1.901	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)N[C@@H](C)[C@@H]2CCOC2)c1	858251379	WGPLFCNXVINGNX-NWDGAFQWSA-N	278.352	1.925	10	20	CDCD	
C[C@H](N[C@@H]1CCOC1)c1cc([N+](=O)[O-])ccc1O	756770821	XMJLQOFYOWYACO-DTWKUNHWSA-N	252.270	1.740	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)OCC(F)(F)F	867416343	APKFQOOXXGMQLI-UHFFFAOYSA-N	265.187	1.886	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)C(C)(C)CO	935949426	ZVYVDXOMBAKECI-UHFFFAOYSA-N	272.341	1.513	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)Cc2nc[nH]n2)cc1	864927570	VWTHGXLQZAOSSU-UHFFFAOYSA-N	287.367	1.510	10	20	CDCD	
CCOC(=O)N1CCC(NCc2ccc(N)cc2)CC1	1356083559	SMDSJNDHJWPRDS-UHFFFAOYSA-N	277.368	1.979	10	20	CDCD	
Cc1ccc(CN2CCOC[C@H]2c2noc(C)n2)c(O)c1	877176489	QJKAXYAURJRTEG-ZDUSSCGKSA-N	289.335	1.966	10	20	CDCD	
Cc1cccc(O)c1CNc1ccn(CCC(N)=O)n1	876877649	YWGJREUDESCYMS-UHFFFAOYSA-N	274.324	1.385	10	20	CDCD	
CC1(NC(=O)NCCCSc2nccs2)COC1	875375088	WIGJVOJNUGWXGM-UHFFFAOYSA-N	287.410	1.713	10	20	CDCD	
Cc1n[nH]cc1CNC(=O)/C=C/c1ccc(O)c(O)c1	779501323	XIRWBFCVNYIYEZ-HWKANZROSA-N	273.292	1.459	10	20	CDCD	
OC[C@@]12C[C@H]1CN(Cc1cc(Br)ccc1O)C2	783741154	LADSUPAPDUPJSR-GWCFXTLKSA-N	298.180	1.969	10	20	CDCD	
CC[C@H](NCCN1CCNC1=O)c1ccc(N(C)C)cc1	886743050	RUZCHGBXOGBQHH-HNNXBMFYSA-N	290.411	1.819	10	20	CDCD	
Cc1cccc(C(=O)OCC(=O)c2ccc(O)c(O)c2)n1	782306861	VUHXUXHSEOPVIV-UHFFFAOYSA-N	287.271	1.841	10	20	CDCD	
O=C(NCc1ccccc1O)N[C@@H]1CCSC1	75466451	RZVAZYAZJNEINA-SNVBAGLBSA-N	252.339	1.697	10	20	CDCD	
CO[C@H]1CCC[C@H]1CNC(=O)c1ccc(C)c(O)c1O	781014428	QQYFZZBQLKNKDG-JQWIXIFHSA-N	279.336	1.951	10	20	CDCD	
C[C@H]1C(=O)NCCCN1Cc1cc2c(cc1O)CCC2	788049036	XLWHRKVORKKRAM-NSHDSACASA-N	274.364	1.591	10	20	CDCD	
COc1cc(C)cc(CN[C@@H](C)C(=O)NC(C)C)c1O	895001558	PWJYEWZJRYRNFP-NSHDSACASA-N	280.368	1.712	10	20	CDCD	
COc1ccc(O)c(CNCCOCC(F)F)c1	189009483	ZNKXRXIRPFSWBK-UHFFFAOYSA-N	261.268	1.772	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)C1CCOCC1	750791682	NESVZNKCECCCJY-UHFFFAOYSA-N	265.309	1.183	10	20	CDCD	
CN(CC(=O)NC1CC1)Cc1ccc(N2CCCC2)cc1	1319924333	FWFGYTHQUJIXFT-UHFFFAOYSA-N	287.407	1.997	10	20	CDCD	
Cc1c[nH]cc([N+](=O)[O-])c1=NCCc1ccc(O)c(O)c1	1324649693	MWAMVOVXLPCOJE-UHFFFAOYSA-N	289.291	1.786	10	20	CDCD	
COC1CCN(C(=O)NCc2ccc(N)cc2)CC1	1337070376	OMVHVCVTNDWXLM-UHFFFAOYSA-N	263.341	1.589	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1C=CCC1	1330660630	WHINOXDZKIPLSX-GFCCVEGCSA-N	274.320	1.185	10	20	CDCD	
Nc1ccc(OCc2cn(CC3(C(=O)O)CC3)nn2)cc1	1608273025	FTPPCTACBYAANS-UHFFFAOYSA-N	288.307	1.304	10	20	CDCD	
Cc1ccc(C(=O)N2CC[C@H](C)C[C@H]2C(=O)O)c(O)c1O	1600331813	DWHRJEAUIVZUJF-KWQFWETISA-N	293.319	1.732	10	20	CDCD	
COC[C@H](O)CN[C@H]1C[C@@H](C)c2c(C)ccc(O)c21	227134726	RFABNIUYMMAQQK-UTUOFQBUSA-N	265.353	1.846	10	20	CDCD	
C[C@@H]1COCCN1CCSc1ncc(C(=O)O)s1	1594607501	KSVPAHGAAVFDJQ-MRVPVSSYSA-N	288.394	1.654	10	20	CDCD	
COc1ccc(CNCCOCCN(C)C(C)=O)cc1C	1755869816	PRUSXQIZFKHLMG-UHFFFAOYSA-N	294.395	1.588	10	20	CDCD	
COc1ccc(O)c(CNc2cccnc2-c2nn[nH]n2)c1	1591618463	MTMOXKWVLHBFKA-UHFFFAOYSA-N	298.306	1.588	10	20	CDCD	
COCCOCCN(C)Cc1ccc(C)cc1O	877535785	DXBAMQHFZGETJB-UHFFFAOYSA-N	253.342	1.795	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@H](C)N	37807424	PHAGDZYOHURAOQ-LBPRGKRZSA-N	263.385	1.838	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NCCNC(=O)C(C)C)c1	20125291	LWUNMODWZCAITO-LLVKDONJSA-N	280.368	1.824	10	20	CDCD	
CCOc1cccc(CN2CCO[C@H]([C@@H](C)N)C2)c1O	156393789	IAKWVHRIEWHOCA-RISCZKNCSA-N	280.368	1.339	10	20	CDCD	
CCN1CCC(N(C)C(=O)Cc2ccc(N)cc2)CC1	36796783	MSXJEKRZZXPNCK-UHFFFAOYSA-N	275.396	1.754	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCC[C@H](CO)CC1	294565791	NPNBUKZUQPHUDE-JTQLQIEISA-N	265.309	1.332	10	20	CDCD	
C[C@H](NC[C@@]1(O)CCN(C)C1)c1ccc(F)cc1O	702652491	LISNYEKQHCAJRX-HZMBPMFUSA-N	268.332	1.249	10	20	CDCD	
COc1cc(Cl)cc(CN2CC[C@H](CC(N)=O)C2)c1O	367704871	LMWCLRFIMVFFQA-SECBINFHSA-N	298.770	1.752	10	20	CDCD	
CO[C@@H]1COC[C@@H]1N[C@@H](C)c1cc(F)ccc1O	840826793	VXZNWLJLSFSXRG-LJUAHTATSA-N	255.289	1.596	10	20	CDCD	
COCCN(C)C(=O)NCc1ccc2c(c1)CCCN2C	57660837	FMLDZIINXDAUAU-UHFFFAOYSA-N	291.395	1.857	10	20	CDCD	
NCc1ccc2c(c1)CCCN2[C@@H]1CCN(C2CC2)C1=O	1261491924	KTLVXFHLQGEMQE-MRXNPFEDSA-N	285.391	1.661	10	20	CDCD	
COc1cccc(CNC[C@H](O)c2ccco2)c1O	304528010	MEICFWYACXFKAR-NSHDSACASA-N	263.293	1.817	10	20	CDCD	
C[C@@H]1C[C@H]1[C@H](NCc1cc(F)cc(F)c1O)C(=O)O	1776602724	VEBHAGKTUUBUJN-CGYDSVCVSA-N	271.263	1.869	10	20	CDCD	
O=C(O)C[C@H]1COCCN1Cc1cc(F)ccc1O	300435986	BNYNWFWCRMASAZ-NSHDSACASA-N	269.272	1.207	10	20	CDCD	
CC(C)NC(=O)[C@H](C)N[C@H](C)c1ccccc1O	228941347	MOGNEMWDCYKFMB-MNOVXSKESA-N	250.342	1.956	10	20	CDCD	
CN(C)c1ccc(CNC[C@@H](O)C(F)(F)F)cc1	219452534	BEXHIIGVTKMTAS-LLVKDONJSA-N	262.275	1.765	10	20	CDCD	
COc1cc(C(=O)NCc2cccc(OC)c2O)on1	127508944	KIDODSRVLJZRTN-UHFFFAOYSA-N	278.264	1.327	10	20	CDCD	
CCCCNC=C1C(=O)N(CC)C(=S)N(CC)C1=O	48403029	YCTMDBHLCKJWFK-UHFFFAOYSA-N	283.397	1.256	10	20	CDCD	
C[C@@H](N)CCC(=O)NCc1ccc(N(C)C)c(F)c1	193306277	FARHOVIUAXMKJO-SNVBAGLBSA-N	267.348	1.635	10	20	CDCD	
CNC(=S)N[C@@H](C)c1ccc(N2CCOCC2)cc1	140014707	JOJCABFGQZPWTD-NSHDSACASA-N	279.409	1.678	10	20	CDCD	
C[C@@H](NC(=O)CCCN)c1ccc(N2CCOCC2)cc1	237554826	QMTKXIFLXTZLGP-CYBMUJFWSA-N	291.395	1.439	10	20	CDCD	
C[C@H](CO)CNC(=O)NCc1ccc(N2CC=CC2)cc1	265852365	ASPSJRUMAATFQD-ZDUSSCGKSA-N	289.379	1.490	10	20	CDCD	
Nc1ccc(CCNC(=O)[C@@H]2CCC[C@@H](N)C2)cc1	262569855	BUHLOYVYBGMUCU-TZMCWYRMSA-N	261.369	1.445	10	20	CDCD	
COC(=O)C[C@@H]1CCCN1Cc1cc2c(cc1O)OCO2	269359684	JBBDTMCNNITMDX-NSHDSACASA-N	293.319	1.648	10	20	CDCD	
CC(=O)N1CCN(CCN[C@@H](C)c2ccccc2O)CC1	272884097	RHCJALKCYNNSAO-ZDUSSCGKSA-N	291.395	1.207	10	20	CDCD	
CCN(CC)c1ccc(CN(C)CCC(N)=O)cc1F	289691823	OIDHYOGMHKZNML-UHFFFAOYSA-N	281.375	1.979	10	20	CDCD	
COc1cccc(CN2C[C@@H](C)O[C@]3(CCOC3)C2)c1O	280310943	PRHCBDQMZGVPFE-MLGOLLRUSA-N	293.363	1.781	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC[C@H](CO)[C@@H]2CCOC2)c1	280427697	BORYMTDDPCPHBA-YNEHKIRRSA-N	295.379	1.696	10	20	CDCD	
COc1cccc(CNC(=O)c2cnn(CCF)c2)c1O	806763698	XEFXSPJYPUAIFA-UHFFFAOYSA-N	293.298	1.497	10	20	CDCD	
CCO[C@H]1C[C@H]1C(=O)NCc1ccc(N(C)C)cc1	298673677	VJRLMERJDIRZSZ-KGLIPLIRSA-N	262.353	1.794	10	20	CDCD	
Cc1ccc(C(=O)OCC(=O)c2cscn2)c(O)c1O	805433402	RTWGSGMRVPVPMJ-UHFFFAOYSA-N	293.300	1.902	10	20	CDCD	
C[C@@H](C1CCN(C)CC1)N(C)C(=O)c1cccc(O)c1O	819923194	WYOLFXQWVZBJSC-NSHDSACASA-N	292.379	1.900	10	20	CDCD	
CC(=O)N[C@@H]1CCN(Cc2ccc(N(C)C)cc2C)C1	817415532	UNFYQHZBHHOXHR-OAHLLOKOSA-N	275.396	1.771	10	20	CDCD	
C[C@H](NC[C@@H](N)c1ccc(N(C)C)cc1)[C@@H]1CCCCN1	817943856	WAYZRDNYXANXQP-XKQJLSEDSA-N	290.455	1.873	10	20	CDCD	
O=C(NCc1ccccc1O)c1cnn2c1OCCC2	815834020	OVTIMBMDOCXTKK-UHFFFAOYSA-N	273.292	1.301	10	20	CDCD	
COc1ccc(CN[C@@H]2CCc3nnnn3CC2)cc1C	817418973	MVBUZQBSIXAUKY-CYBMUJFWSA-N	287.367	1.485	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1C[C@]12CCNC2	825942880	NLXOCWMLWBHQOK-WBVHZDCISA-N	287.407	1.711	10	20	CDCD	
C[C@@H](OC(=O)c1cc(O)cs1)C(=O)NC1CC1	731912275	SXLBJSYDALJFAL-ZCFIWIBFSA-N	255.295	1.278	10	20	CDCD	
Cc1nccc(C(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)n1	832273018	LIGMTTBIPIVDNS-CQSZACIVSA-N	299.378	1.281	10	20	CDCD	
CC(=O)N[C@@H](CCC(C)C)C(=O)NCc1ccccc1O	830526343	KBHPEVNBHBIZJU-AWEZNQCLSA-N	292.379	1.949	10	20	CDCD	
CC[C@H](NC(=O)NCc1ccc(N(C)C)cc1)C(=O)NC	836246405	FEBGJBZAUAIWME-ZDUSSCGKSA-N	292.383	1.076	10	20	CDCD	
C[C@H](CN)CNC(=O)NCc1ccc(N2CC=CC2)cc1	841831947	IDPUFMICODHIIM-CYBMUJFWSA-N	288.395	1.457	10	20	CDCD	
CCOc1ccc(CN2CCC[C@@H](CN)C2)c(O)c1	843047877	ZSUCTHKZZMTIOS-LBPRGKRZSA-N	264.369	1.962	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCC(=O)C1	843851522	NGSLLWPXYIGRRG-MWLCHTKSSA-N	277.320	1.514	10	20	CDCD	
Nc1ccc(NC(=O)N[C@@H](CO)CC2CCC2)cc1	841299332	JLXVYHAAZMYZCT-CYBMUJFWSA-N	263.341	1.941	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2C[C@H](C)NC[C@@H]2C)c1O	842474588	VRNQDCXRTLIQSH-UWVGGRQHSA-N	280.343	1.916	10	20	CDCD	
CN(C)c1cc(F)c(CN[C@H]2C[C@H](CO)C2)cc1F	923005898	XBCVECIZYHJYCZ-HOMQSWHASA-N	270.323	1.891	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)N[C@H]2C[C@H](O)C2)c1	850579469	XXWWHHCYQDGODP-FBIMIBRVSA-N	265.309	1.353	10	20	CDCD	
CCCOC(=O)[C@H](C)OC(=O)/C=C\c1ccc(O)c(O)c1	759588417	LHSIFEUUUFHVLL-BXKUYDPTSA-N	294.303	1.996	10	20	CDCD	
CCC1(O)CN(C(=O)/C=C/c2ccc(O)c(O)c2)C1	854380470	LYEXGCAUOSRPIF-GQCTYLIASA-N	263.293	1.094	10	20	CDCD	
C[C@H](NC[C@H]1COCCO1)c1cc(F)cc(F)c1O	756433169	AFYSJTDYSCALEC-WPRPVWTQSA-N	273.279	1.736	10	20	CDCD	
CCN(CCN)C(=O)NCc1ccc(N2CCCC2)cc1	861557206	MLEYIJXSNKUGDM-UHFFFAOYSA-N	290.411	1.777	10	20	CDCD	
C[C@@H]1CC[C@@H](C)N1CC(=O)NCc1ccccc1O	769365139	NGVMZBUNRDBKAJ-VXGBXAGGSA-N	262.353	1.881	10	20	CDCD	
COC(=O)C[C@@H](C)C(=O)NCc1cc(C)ccc1O	862757809	DVXVVWIWOPTKEX-SNVBAGLBSA-N	265.309	1.516	10	20	CDCD	
C[C@H](NC(=O)[C@H]1CCCNC1=O)c1ccc(N(C)C)cc1	867502948	FZADQOSBXNODRK-FZMZJTMJSA-N	289.379	1.456	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN[C@H]1CCCS(=O)(=O)C1	775393414	LXJFINAZHFAXCB-AWEZNQCLSA-N	296.436	1.728	10	20	CDCD	
COc1ccc(CNC/C=C\CO)cc1Cn1cccn1	873135873	OXQKAAMQZHAPGT-IHWYPQMZSA-N	287.363	1.578	10	20	CDCD	
COC1(C)CN(C(=O)NCc2ccc(N(C)C)cc2)C1	775750200	PTGHXZUXHGYILL-UHFFFAOYSA-N	277.368	1.683	10	20	CDCD	
CCN(C)c1ccc(CN2C[C@H]3C[C@]3(CO)C2)cc1	773889579	YCJQCIYCVUTSJR-GDBMZVCRSA-N	260.381	1.957	10	20	CDCD	
O=C(NCc1cccc(O)c1O)C1CCOCC1	1123978272	SBQYULFRRZQLGH-UHFFFAOYSA-N	251.282	1.141	10	20	CDCD	
Nc1ccc(CNC(=O)N[C@@H]2CCC[C@H]2CCO)cc1	1120617893	IOFSVALNXPVORT-GXTWGEPZSA-N	277.368	1.619	10	20	CDCD	
O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccc(F)nc1	777467541	MYVJAGKZGDAIRB-XYOKQWHBSA-N	283.262	1.682	10	20	CDCD	
CCN(C)c1ccc(Cn2cc(CCCN)nn2)cc1	881313349	JSXOWSDJFILMQD-UHFFFAOYSA-N	273.384	1.674	10	20	CDCD	
CCNS(=O)(=O)CCN[C@H](C)c1c(O)cccc1F	886548102	XGDPPLGZQSTTMR-SECBINFHSA-N	290.360	1.121	10	20	CDCD	
CCO[C@@H]1C[C@@H](NCc2cc(C)ccc2O)[C@H]1OC	895581821	SSRHXIZNGIWGIZ-BPLDGKMQSA-N	265.353	1.983	10	20	CDCD	
COCCOC1CN(Cc2cc(F)cc(F)c2O)C1	894374104	DKPYSRVQEGTLHL-UHFFFAOYSA-N	273.279	1.518	10	20	CDCD	
COc1ccc(CN(C)CCN2CCCC2)c(O)c1OC	894456585	RUZARRWQUGEDHS-UHFFFAOYSA-N	294.395	1.937	10	20	CDCD	
COc1ccc(O)c(CNC(=O)NCc2cn(C)cn2)c1	892985916	RGWPYRPCTXBXJP-UHFFFAOYSA-N	290.323	1.134	10	20	CDCD	
COc1cc(C)cc(CN2CCNC(=O)C[C@@H]2C)c1O	894783254	RSGVNCYXVKAMGR-NSHDSACASA-N	278.352	1.420	10	20	CDCD	
Cc1cc(C)c([C@@H](C)NC[C@H](O)CN(C)C)c(O)c1	788593176	FUDIBJIWDKGHQO-OLZOCXBDSA-N	266.385	1.582	10	20	CDCD	
CC(C)[C@H](N)C(=O)NCc1ccc2c(c1)CCCN2C	166473565	BKSNKHGIOIRLJI-HNNXBMFYSA-N	275.396	1.669	10	20	CDCD	
NC(=O)C[C@H]1CCCN(Cc2cc(F)cc(F)c2O)C1	894077129	XPNPTSAVSFZZLS-SECBINFHSA-N	284.306	1.758	10	20	CDCD	
C[C@@H]1N(C(=O)c2cccc(O)c2O)CCOC1(C)C	707348334	PINGILRZGGXYOH-VIFPVBQESA-N	265.309	1.737	10	20	CDCD	
CCN(CC)c1ccc(CNC2(C(N)=O)CC2)cc1	191490445	BWUPCMIMHFNLOZ-UHFFFAOYSA-N	261.369	1.640	10	20	CDCD	
CC(=O)Nc1ccc(NC(=O)c2cccc(O)c2O)nc1	1321451102	XFFHZHPMKRSVCF-UHFFFAOYSA-N	287.275	1.704	10	20	CDCD	
C[C@@H]1CCCN(C(=O)c2cc(O)cs2)[C@@H]1CO	1263971544	ROVXJDCCDKLYTD-PSASIEDQSA-N	255.339	1.687	10	20	CDCD	
CO[C@@H]1CCC[C@@H]1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	1337213418	WDAJJADPFMJETI-ITDIGPHOSA-N	293.363	1.960	10	20	CDCD	
O=C(O)[C@@H](NCc1ccc(N2CCOCC2)cc1)C1CC1	1331949667	YQUDKECSKBYKPF-HNNXBMFYSA-N	290.363	1.476	10	20	CDCD	
O=C(O)Cc1occc1C(=O)NCc1ccc(O)c(O)c1	1608794410	ZYEFTUKKGMPFGI-UHFFFAOYSA-N	291.259	1.248	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)NCC1(C(=O)O)CC1	1601238989	QBLORONVGMWTLN-RQOWECAXSA-N	277.276	1.092	10	20	CDCD	
O=C(O)c1cnc(SCCCN2CCCC2=O)s1	1610862294	BOIXEZKRKBIABO-UHFFFAOYSA-N	286.378	1.946	10	20	CDCD	
CO[C@H]1C[C@H](NC(=O)Cc2ccc(N)cc2)C1(C)C	226380003	NVMFPIIKHPVFDG-STQMWFEESA-N	262.353	1.741	10	20	CDCD	
C[C@H](N[C@@H](C)c1cc(C(=O)O)ccc1O)c1ncn(C)n1	1593198215	OFTYPZPOABBOFA-IUCAKERBSA-N	290.323	1.631	10	20	CDCD	
COC[C@@H](CC(=O)O)NCc1ccc2c(c1)CCO2	1777229170	PUTKVKYOCVUPBO-GFCCVEGCSA-N	265.309	1.201	10	20	CDCD	
CN1CCC[C@@H](NCc2ccc3c(c2)CCCO3)C1=O	921813229	CSDUUSFIVJMJQO-CQSZACIVSA-N	274.364	1.722	10	20	CDCD	
CCCNC(=O)[C@@H](C)N[C@H](C)c1ccccc1O	36959793	ZOIFSYPGYMDMKN-GHMZBOCLSA-N	250.342	1.958	10	20	CDCD	
CCOc1cccc(CN2CCn3cnnc3C2)c1O	156047714	QOZZQQLQVDTONM-UHFFFAOYSA-N	274.324	1.398	10	20	CDCD	
Nc1ccc(CC(=O)N2CCN3CCCC[C@@H]3C2)cc1	37812709	FPJOIVUGSIDCGD-OAHLLOKOSA-N	273.380	1.508	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC[C@@]2(O)CCSC2)c1	185638672	KOMBBFOKVMFHOA-HZMBPMFUSA-N	283.393	1.919	10	20	CDCD	
CCn1cc(CNCc2cc3c(cc2O)OCO3)nn1	404475039	VTHLHPYSLYMTCC-UHFFFAOYSA-N	276.296	1.022	10	20	CDCD	
CCc1cccc(CN2CC[C@H](CC(N)=O)C2)c1O	690729210	HFAUUULZBNHJNQ-LLVKDONJSA-N	262.353	1.652	10	20	CDCD	
CC[C@H](NCc1c(O)cccc1Cl)C(=O)NC	697828785	ZAHOVSUCSGMKJR-JTQLQIEISA-N	256.733	1.660	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N(C)[C@H]2CCOC2)cc1	106508827	FBKLUXPMTXFDQY-AWEZNQCLSA-N	277.368	1.683	10	20	CDCD	
O=C(NC1CC1)[C@@H]1CCCN1Cc1cc(F)ccc1O	179937762	FLSYOMYGVWVCDY-ZDUSSCGKSA-N	278.327	1.774	10	20	CDCD	
Cc1nn(C)c(C)c1CC(=O)NCc1cccc(O)c1O	1263894463	HOWHQYGAOLRWFI-UHFFFAOYSA-N	289.335	1.307	10	20	CDCD	
CN(C)CCN(C)C(=O)NCc1ccc(N(C)C)c(F)c1	176285895	HOIMPWHDCGKVQY-UHFFFAOYSA-N	296.390	1.595	10	20	CDCD	
Cc1cccc(CN(CCO)C2CCN(C)CC2)c1O	305771434	KJLYWKSVCGYNTI-UHFFFAOYSA-N	278.396	1.589	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)NCC(=O)NC)cc1	79880584	YHGJZDRFDKESCS-UHFFFAOYSA-N	292.383	1.078	10	20	CDCD	
CCCNC(=O)CCNCc1cc(C)ccc1O	71408734	HLEWWBHVOTXSIA-UHFFFAOYSA-N	250.342	1.707	10	20	CDCD	
COc1cccc(CNC(=O)CCCC(C)=O)c1O	184977339	SAAOJFCHCXQHTF-UHFFFAOYSA-N	265.309	1.776	10	20	CDCD	
COc1ccc(N2CCCN(C(=O)[C@@H](C)O)CC2)cc1	136553738	GXVLKGWKACDRAC-GFCCVEGCSA-N	278.352	1.115	10	20	CDCD	
Nc1ccc(CC(=O)N2CC[C@H](CN3CCCC3)C2)cc1	237895694	YBDQIYLCFICGQQ-OAHLLOKOSA-N	287.407	1.756	10	20	CDCD	
CC[C@H](C(=O)OC)N1CCOc2cc(N(C)C)ccc21	181130821	PAKXUOKUQUANEO-GFCCVEGCSA-N	278.352	1.903	10	20	CDCD	
Cc1ccc([C@H](C)NC[C@H]2COCCN2)c(O)c1	530228164	YCUHKWLPBQQEPF-RYUDHWBXSA-N	250.342	1.340	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@H](CO)CC(C)C)c1O	278909482	SHAFYLBPOUSOGS-NSHDSACASA-N	298.339	1.806	10	20	CDCD	
CCCNC(=O)CN[C@@H](C)c1cc([N+](=O)[O-])ccc1O	273425731	TZXTUQOKJYKKPA-VIFPVBQESA-N	281.312	1.477	10	20	CDCD	
Oc1cc2c(cc1CN1CCOC[C@]13CCOC3)OCO2	282445787	UTMHNZASHAJPQO-OAHLLOKOSA-N	293.319	1.112	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1cnn(C)n1	284448683	HYRPOYYPTKFDAZ-UHFFFAOYSA-N	273.340	1.153	10	20	CDCD	
C[C@@H]1COCC[C@H]1CNC(=O)/C=C/c1ccc(O)c(O)c1	286769849	IEQIPYGCXORERQ-QIPCVNDGSA-N	291.347	1.900	10	20	CDCD	
Oc1cccc2c1[C@H](NCCCN1CCC(O)CC1)CC2	295939453	KVNHNMRMZMNGOT-OAHLLOKOSA-N	290.407	1.816	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@](C)(O)C1CC1	804383501	UKPLRHQEFSWGKQ-MRXNPFEDSA-N	276.380	1.838	10	20	CDCD	
C[C@H]1CCC[C@]1(O)CNC(=O)/C=C/c1ccc(O)c(O)c1	293953529	ALXXHFBZZXIFCQ-YQXYZFHTSA-N	291.347	1.778	10	20	CDCD	
CCOc1ccc(C(=O)OCC(=O)C(C)=O)cc1	808488915	VEZPFVGZBXAFHE-UHFFFAOYSA-N	250.250	1.400	10	20	CDCD	
O=C1N=C(N2CCCCC2)S/C1=C\c1cnccn1	809153466	UWWZGIOYEIBJOP-FLIBITNWSA-N	274.349	1.933	10	20	CDCD	
C[C@H](O)CN(C)C(=O)NCc1ccc(N2CC=CC2)cc1	291698517	KHTAYISHMULTGK-ZDUSSCGKSA-N	289.379	1.585	10	20	CDCD	
Cn1nnc(CNCc2ccc3ccccc3c2O)n1	816593818	FVBQEAKHHZENOS-UHFFFAOYSA-N	269.308	1.359	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)NCC2(N)CCC2)c1	817965449	VAKOEXRRQACCOL-SNVBAGLBSA-N	278.352	1.711	10	20	CDCD	
CCOC(=O)CN(Cc1ccccc1O)CC1(C)COC1	823581953	UVNBWUUVOIXBQW-UHFFFAOYSA-N	293.363	1.794	10	20	CDCD	
CO[C@@H]1CN(Cc2ccc3ccccc3c2O)C[C@H]1O	825024354	NWPYTFSQUUXYSG-HUUCEWRRSA-N	273.332	1.737	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)Cc1cnc[nH]1	900026552	NCHABFLPORNCNY-UHFFFAOYSA-N	272.352	1.677	10	20	CDCD	
CCOc1ccc(CN2C[C@@H]3CCNC[C@@H]3C2)c(O)c1	904421048	MMYNSDAUELFXHM-GXTWGEPZSA-N	276.380	1.832	10	20	CDCD	
CC[C@H](O)[C@H](C)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	907272137	FERLPWPWYXLTTC-SCVCMEIPSA-N	281.352	1.552	10	20	CDCD	
COc1cc(Cl)cc(CNCC2(N)CC2)c1O	904449022	DEMXGVMPCWIWBY-UHFFFAOYSA-N	256.733	1.635	10	20	CDCD	
COc1ccc(CNC(=O)[C@H]2CCCC(=O)N2C)c(O)c1	907926308	LTIZGDXAHIJWGR-GFCCVEGCSA-N	292.335	1.028	10	20	CDCD	
CC[C@@H]1CC[C@H](C(=O)NCc2ccc(O)cc2O)O1	910950864	LHJLWCSNWQIKPR-DGCLKSJQSA-N	265.309	1.672	10	20	CDCD	
C[C@@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2O)C[C@H]1N	843120823	WHNVRNFZVAEHFZ-GMSGAONNSA-N	285.731	1.733	10	20	CDCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)COCCN	843486119	QBMSTODVIQTHPG-UHFFFAOYSA-N	293.411	1.465	10	20	CDCD	
CCC[C@@](C)(O)CNC(=O)NCCc1ccc(N)cc1	841954346	LEVSFCKPQFZJGH-OAHLLOKOSA-N	279.384	1.662	10	20	CDCD	
C[C@@H]1NCCN(Cc2ccc(N3CCOCC3)cc2)[C@@H]1C	843056925	CHDJOYQACWLBBM-LSDHHAIUSA-N	289.423	1.705	10	20	CDCD	
CCN(C)S(=O)(=O)NCc1ccc(N(C)C)cc1C	746052297	SLKDIBLPRXUNJK-UHFFFAOYSA-N	285.413	1.347	10	20	CDCD	
CCc1cccc(CN(CCN(C)C)CCN(C)C)c1O	848911183	QVOASOREPRXZSH-UHFFFAOYSA-N	293.455	1.880	10	20	CDCD	
COc1cccc(CNC(=O)C(C)(C)C(=O)O)c1O	911337532	UWJFNPUUHZLXBO-UHFFFAOYSA-N	267.281	1.128	10	20	CDCD	
CONC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C	840350371	ICGIEIWXMPIHOJ-NSHDSACASA-N	265.357	1.853	10	20	CDCD	
CC1(C)[C@@H](O)C[C@@H]1NC(=O)NCCc1ccc(N)cc1	841960210	XUGSRNAOTDWUJZ-STQMWFEESA-N	277.368	1.270	10	20	CDCD	
CC[C@@H](C(=O)NCc1ccc(OC)cc1O)[C@H](C)O	842257024	HEAQFVMRFUMVQW-JOYOIKCWSA-N	267.325	1.424	10	20	CDCD	
C[C@H](N[C@H]1CCCN(C)C1=O)c1cc(F)cc(F)c1O	756639104	WUSJWYUKTVJSSW-UFBFGSQYSA-N	284.306	1.942	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)N[C@H]1CC[C@H](O)CC1	753714646	QOBJOMKFIKIIIR-JOCQHMNTSA-N	278.352	1.837	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCC(c2nc[nH]n2)CC1	751426358	RHDTUYBQHYIECV-UHFFFAOYSA-N	278.337	1.592	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H]1CCCN1C=O	935946110	YACMLVOTLNAHSL-NSHDSACASA-N	297.351	1.115	10	20	CDCD	
Cc1ccc(/C=C2\SC(=S)N(CC(=O)O)C2=O)cn1	764887494	MZARUARZUXYEQD-WTKPLQERSA-N	294.357	1.676	10	20	CDCD	
COc1cccc(O)c1CN1CCC[C@H](OCCO)C1	769384698	TYUCDICGSOEBNH-LBPRGKRZSA-N	281.352	1.374	10	20	CDCD	
CN(Cc1cc2c(cc1O)OC[C@H]2O)[C@H]1CCOC1	768448095	BKRVGTSVDVJQNL-GXFFZTMASA-N	265.309	1.039	10	20	CDCD	
CC[C@@]1(C(=O)NCc2ccc(OC)cc2O)CCNC1	1118201573	ZHQWJHWVFIAIIX-OAHLLOKOSA-N	278.352	1.407	10	20	CDCD	
CCOC(=O)C[C@H](C)NC(=O)/C=C/c1ccc(O)c(O)c1	779532872	ULAGERLGTVYLQL-STUBTGCMSA-N	293.319	1.569	10	20	CDCD	
Cc1ccc(CNCCN2CCOC(C)(C)C2)c(O)c1	877020851	GCXSZDNUERBPBH-UHFFFAOYSA-N	278.396	1.901	10	20	CDCD	
COc1cc(C)cc(CNCCN2CCOC[C@H]2C)c1O	1119445863	QSPBVGKPGWXEGK-CYBMUJFWSA-N	294.395	1.520	10	20	CDCD	
C[C@@H]1OCC[C@@H]1C(=O)OCC(=O)c1ccc(O)c(O)c1	784492789	HEFFLQQRAYLIPX-WPRPVWTQSA-N	280.276	1.249	10	20	CDCD	
O=C(O)C1(NCc2ccc(N3CCOCC3)c(F)c2)CC1	789897637	MQTRAFNANINUDV-UHFFFAOYSA-N	294.326	1.369	10	20	CDCD	
Nc1ccc(CNC(=O)N2CC[C@](O)(C3CC3)C2)cc1	1120677177	MFAJTECIOSBODA-OAHLLOKOSA-N	275.352	1.325	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)NCCC(C)(C)N)c1	892860618	JRWWHSLBCKDNEQ-JTQLQIEISA-N	295.383	1.888	10	20	CDCD	
COC(=O)[C@H]1CCN(Cc2cc(OC)ccc2O)[C@@H]1C	787421160	OBLBCNGZOHIZPP-MFKMUULPSA-N	279.336	1.784	10	20	CDCD	
O[C@H](CCNCc1ccc(N2CCOCC2)cc1)C1CC1	898206883	XWOBOLOCOUIRAV-QGZVFWFLSA-N	290.407	1.774	10	20	CDCD	
Cc1ccc(C(=O)N[C@H](CN(C)C)C(C)C)c(O)c1O	780940512	OTYWLXXRKGQICZ-GFCCVEGCSA-N	280.368	1.722	10	20	CDCD	
COc1ccc(CN2C[C@H](C)[C@@](C)(CO)C2)c(O)c1OC	895458328	XRBZUQSHFAUOLP-MEDUHNTESA-N	295.379	1.860	10	20	CDCD	
COCCC(C)(C)NC(=O)c1ccc(C)c(O)c1O	780954188	BZQJRYAFOSGEAB-UHFFFAOYSA-N	267.325	1.951	10	20	CDCD	
CCn1cc(CC(=O)NCc2ccc(N(C)C)cc2)cn1	780208419	PDPULSWSVMAVRO-UHFFFAOYSA-N	286.379	1.828	10	20	CDCD	
COc1ccc(CNC(=O)C[C@@](C)(O)C2CC2)c(O)c1	794374928	ZMIUWXXIQCUOMT-OAHLLOKOSA-N	279.336	1.568	10	20	CDCD	
COC[C@@H](CO)NC(=O)N[C@H](C)c1ccc(N(C)C)cc1	793063302	YMCUTYHPQMCXNM-DGCLKSJQSA-N	295.383	1.120	10	20	CDCD	
COCC[C@H](NCc1ccc(N(C)C)cc1)C(=O)O	1329632271	KWTTUFAVKKVPBC-ZDUSSCGKSA-N	266.341	1.332	10	20	CDCD	
O=C(c1cc(O)cs1)N1CC[C@](O)(C2CC2)C1	1331122932	GMKIBMSYWLRXGB-GFCCVEGCSA-N	253.323	1.441	10	20	CDCD	
C[C@@H](O)c1nnc(N(C)Cc2ccccc2O)n1C	1338231536	BOOQZFFTCHIMHW-SECBINFHSA-N	262.313	1.210	10	20	CDCD	
CCOc1cccc(CNC[C@@H](C)CNC)c1O	1348515833	QFEIFNSXPYHVTN-NSHDSACASA-N	252.358	1.736	10	20	CDCD	
C[C@@H](NC(=O)c1ccnc(C(=O)O)c1)c1ccccc1O	1607422928	PZLSRJWATZCHLR-SECBINFHSA-N	286.287	1.976	10	20	CDCD	
O=C(N[C@H]1C[C@H]2C[C@@H](C(=O)O)C[C@@H]12)c1cccc(O)c1O	1601576309	RULMRBISXJPZEF-OYBPUVFXSA-N	291.303	1.327	10	20	CDCD	
CCOc1ccc(CN(C)C[C@@H](C)C(=O)O)c(O)c1	1605690709	NUCNPEBYOKONPZ-SNVBAGLBSA-N	267.325	1.943	10	20	CDCD	
O=C(O)[C@]1(F)CCN(Cc2cc(F)cc(F)c2O)C1	1601717156	QTPLUJZWXRNANG-LBPRGKRZSA-N	275.226	1.669	10	20	CDCD	
Cc1ccc(O)c(CNc2cnc(C(=O)O)cn2)c1	1600467272	NZANKDUKWPZHNK-UHFFFAOYSA-N	259.265	1.801	10	20	CDCD	
COC(=O)N1CC(N[C@H](C)c2cc(C(=O)O)ccc2O)C1	1610189030	XOBAYXDXQRSIQG-MRVPVSSYSA-N	294.307	1.192	10	20	CDCD	
CCNC(=O)[C@H](C)N[C@@H](C)c1cc(C(=O)O)ccc1O	1610006968	DCTBMLNBEXEFHP-IUCAKERBSA-N	280.324	1.266	10	20	CDCD	
C[C@H](O)CCCNCc1ccc(N2CCOCC2)cc1	227956493	GINWDAMRDWZGLC-AWEZNQCLSA-N	278.396	1.774	10	20	CDCD	
Nc1cc(F)ccc1C(=O)NCc1ccc(O)c(O)c1	1580436546	BAOGZFSSGZPYNU-UHFFFAOYSA-N	276.267	1.749	10	20	CDCD	
CN(C)c1cc(F)c(CNCC[C@H](F)C(=O)O)cc1F	1777038155	IPSVWKJMYMECTH-VIFPVBQESA-N	290.285	1.933	10	20	CDCD	
Cc1cccc(O)c1CN1CCC[C@H](S(C)(=O)=O)C1	877368176	SDZKIXVXJZILKA-LBPRGKRZSA-N	283.393	1.710	10	20	CDCD	
Cc1ccc([C@H](C)NCCN2CCNC2=O)c(O)c1	886745054	MXOOFDYRQOSBPM-NSHDSACASA-N	263.341	1.376	10	20	CDCD	
CN1CCCC[C@@H]1CNC(=O)Cc1ccc(N)cc1	44563045	KHCYMXAYQRMBGA-CQSZACIVSA-N	261.369	1.412	10	20	CDCD	
C[C@@H](NCC(=O)NCC(F)(F)F)c1cc(F)ccc1O	185179750	FVRIRJUWCGBRBI-SSDOTTSWSA-N	294.248	1.860	10	20	CDCD	
C[C@H](C(=O)NC1CC1)N1CCCc2cc(CN)ccc21	700923781	NJZPZTIOGSYUFU-LLVKDONJSA-N	273.380	1.565	10	20	CDCD	
COC[C@](C)(O)CN[C@H](C)c1cc(F)ccc1O	382571311	QNGXDAMOJWJNHY-NOZJJQNGSA-N	257.305	1.579	10	20	CDCD	
CCn1ccnc1CNCc1cccc(OC)c1O	385176327	GSOPZJHTWNTTEF-UHFFFAOYSA-N	261.325	1.907	10	20	CDCD	
COc1cc(Cl)cc(CNCc2cnnn2C)c1O	394888506	FYVCFNJYSLNJAG-UHFFFAOYSA-N	282.731	1.473	10	20	CDCD	
COc1cccc(CN(C2CC2)[C@@H](C)C(=O)O)c1O	1611066702	VNXLOMBROGNSNJ-VIFPVBQESA-N	265.309	1.838	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)Nc1nccs1	115633639	VHPYWBWGSWLKJK-UHFFFAOYSA-N	279.321	1.919	10	20	CDCD	
C[C@@H]1CN(c2ccc(/C=C/C(=O)O)cc2[N+](=O)[O-])CCO1	20362354	QLBXYZOEAUBKOI-RXNUUUNCSA-N	292.291	1.918	10	20	CDCD	
CC(=O)c1cc(Cl)cc(CN2CC[C@H](O)C2)c1O	61710879	UNESZMWBITUMAQ-NSHDSACASA-N	269.728	1.815	10	20	CDCD	
COc1cc(O)c(CN(C)Cc2nnc[nH]2)cc1OC	180324710	QZYTVNXKEOCEEE-UHFFFAOYSA-N	278.312	1.160	10	20	CDCD	
COc1cccc(CNC(=O)Nc2cnns2)c1O	190786528	VEPCBFMOCWFUQU-UHFFFAOYSA-N	280.309	1.574	10	20	CDCD	
COc1cccc(CN2CCNC(=O)[C@H]2C(C)C)c1O	93055237	PTDWACWOOKWEGD-CYBMUJFWSA-N	278.352	1.357	10	20	CDCD	
CCO[C@@H]1C[C@@H]1C(=O)NCCc1ccc(O)c(O)c1	179091033	NDTBISIFNVRBRP-GXFFZTMASA-N	265.309	1.182	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CC[C@@H](CC(N)=O)C2)c1O	368586362	XQCSKNGZMCBLDR-JTQLQIEISA-N	294.326	1.431	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@H]2C[C@@]23CCOC3)cc1F	372020914	PFJIAMDNTMFXRN-MLGOLLRUSA-N	292.354	1.935	10	20	CDCD	
CC(=O)C(=O)CSc1ccc(C(=O)N2CCCC2)cn1	808020313	SSRZZVIVKAXDII-UHFFFAOYSA-N	292.360	1.568	10	20	CDCD	
COC(=O)CN(Cc1ccc(N(C)C)cc1)C1CC1	298694498	FHBZMXJRGCQNHT-UHFFFAOYSA-N	262.353	1.890	10	20	CDCD	
C[C@H](NCCN1CCCOCC1)c1ccccc1O	812830832	XVMSNZMPSTYNHL-ZDUSSCGKSA-N	264.369	1.765	10	20	CDCD	
Nc1ccc(CNC(=O)[C@@H]2CCn3ccnc3C2)cc1	1342698336	DBMDNCKLHRNAPE-GFCCVEGCSA-N	270.336	1.344	10	20	CDCD	
CC(=O)N1CC[C@@](C)(C(=O)N[C@H](C)c2ccccc2O)C1	827936733	BJQOLOKKRVRQDF-BDJLRTHQSA-N	290.363	1.828	10	20	CDCD	
CN(C)c1ccc(Cn2nc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	829833314	AQDXIJLFBUGMEM-UHFFFAOYSA-N	291.267	1.814	10	20	CDCD	
CC1(C)OC[C@H](CNC(=O)c2c(F)ccc(O)c2O)O1	826909296	MLJSNKBEXDOFTM-ZETCQYMHSA-N	285.271	1.118	10	20	CDCD	
COc1ccc(N2CC[C@@H](CNC(=O)N3CCC3)C2)cc1	823733881	USBZSXAKGSZLQS-ZDUSSCGKSA-N	289.379	1.937	10	20	CDCD	
C[C@@H](NCc1ccc(N2CCN(C)CC2)cc1)C(=O)O	820141790	IHULAUOLMJGCGO-GFCCVEGCSA-N	277.368	1.001	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@H]2COC[C@H]2C)c1	903395007	JAFBHBAVIGJGIK-NRUUGDAUSA-N	279.336	1.864	10	20	CDCD	
O=C(COCC1CCCC1)NCCc1ccc(O)c(O)c1	836777230	HRMYACPQDBDQGB-UHFFFAOYSA-N	293.363	1.963	10	20	CDCD	
COC1CN(Cc2cccc(Br)c2O)C1	839127903	JFUJTIWGNVWRFF-UHFFFAOYSA-N	272.142	1.985	10	20	CDCD	
COc1ccc(CNC(=O)C[C@@H]2CSCCN2)c(O)c1	832178065	MLBWZSBWWDJEID-LLVKDONJSA-N	296.392	1.112	10	20	CDCD	
CC[C@H](O)[C@H](C)C(=O)NCc1cccc(OC)c1O	901127548	KNWNDAZROUSRGA-ONGXEEELSA-N	267.325	1.424	10	20	CDCD	
COc1ccc(CNC(=O)[C@@H]2[C@@H]3CCC(=O)[C@H]32)c(O)c1	907924958	BCZGCCPVWFCMFK-DDTOSNHZSA-N	275.304	1.242	10	20	CDCD	
Cc1cccc(CN[C@H]2C[C@H]3CCCCN3C2=O)c1O	835072670	HWMHUQKOBNGCQU-KGLIPLIRSA-N	274.364	1.944	10	20	CDCD	
O=C(O)[C@H]1C[C@@H]1C(=O)NCc1c(O)ccc2c1CCCC2	833178318	DYLDXXPDKQCDJI-RYUDHWBXSA-N	289.331	1.608	10	20	CDCD	
CO[C@@H](C1CC1)[C@@H](C)NC(=O)NCCc1ccc(N)cc1	841912558	LROTZBYLPCCHFE-IAQYHMDHSA-N	291.395	1.924	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1CCS(=O)CC1	840913579	HIHHKDBHMJTLAI-UHFFFAOYSA-N	266.410	1.625	10	20	CDCD	
CC[C@H](C(=O)O)N(C)Cc1ccc([N+](=O)[O-])c(OC)c1O	844936009	HEFAWKDBJJVJMJ-SECBINFHSA-N	298.295	1.604	10	20	CDCD	
C[C@H]1CC[C@H](C)N1CC(=O)NCCc1ccc(N)cc1	844164423	HTVRIAZBQIQVDD-STQMWFEESA-N	275.396	1.800	10	20	CDCD	
COc1ccc(N(C)CCN(C)Cc2nonc2C)cc1	844401380	MUJYXRDKUGQEFO-UHFFFAOYSA-N	290.367	1.955	10	20	CDCD	
CCc1cccc(CN2C[C@H]3[C@@H](C2)[C@@H]3C(=O)OC)c1O	848913290	TTWYZPRBWDAFDP-WDNDVIMCSA-N	275.348	1.805	10	20	CDCD	
C[C@@H](CCN)NC(=O)NCc1ccc(N(C)C)cc1	841656092	VYLVGOKHQPSLRC-NSHDSACASA-N	264.373	1.289	10	20	CDCD	
CNC[C@@](C)(O)CN(C)CCN(C)c1ccc(OC)cc1	846225351	NCTPAJNDBNPEFS-MRXNPFEDSA-N	295.427	1.034	10	20	CDCD	
C[C@H](NCc1ccc(N(C)C)c(F)c1)c1cnn(C)n1	924862034	OPPSTWWDICPUSW-JTQLQIEISA-N	277.347	1.871	10	20	CDCD	
CN(C)c1ccc([C@H](N)CNC(=O)CC2(N)CCC2)cc1	841846048	JHNIINHYIOOBQW-CQSZACIVSA-N	290.411	1.140	10	20	CDCD	
CN1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)cs1	923265968	GSQHKWZGERWNPS-VHSXEESVSA-N	266.366	1.762	10	20	CDCD	
COc1ccc(O)c(CNC(=O)C[C@](C)(O)C2CC2)c1	756001738	FAXDNTXJLUFOHY-HNNXBMFYSA-N	279.336	1.568	10	20	CDCD	
COC[C@@H](C)NCc1ccc(N2CCC(O)CC2)cc1	850406739	RRFFMUVKUBCBAB-CYBMUJFWSA-N	278.396	1.772	10	20	CDCD	
Nc1ccc(CC(=O)N2CCC[C@@H]3OCC[C@@H]32)cc1	851640871	BIQYTLXGGHTCSE-KBPBESRZSA-N	260.337	1.591	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NCc2ncoc2C)c1	858341073	XMQUDPPHHISXHF-UHFFFAOYSA-N	275.308	1.996	10	20	CDCD	
O=C(CCc1ccccn1)NCc1ccc(O)c(O)c1	768913874	GHSONWKDPIUHKY-UHFFFAOYSA-N	272.304	1.742	10	20	CDCD	
CC(C)C1(C(=O)NCCc2ccc(O)c(O)c2)COC1	934939953	YXWSXQKVRRAKIU-UHFFFAOYSA-N	279.336	1.429	10	20	CDCD	
CO[C@@H](C(=O)NCc1cc(C)ccc1O)C(C)C	862757037	FCEFWKLGBZOVGG-CYBMUJFWSA-N	251.326	1.988	10	20	CDCD	
CSCC[C@@H](O)C(=O)NCc1cc(C)ccc1O	862757897	HYEPEEVVUGROGV-GFCCVEGCSA-N	269.366	1.431	10	20	CDCD	
Cc1noc(C2CN(Cc3c(C)cccc3O)C2)n1	877580135	NJJIMYBSEVXMHU-UHFFFAOYSA-N	259.309	1.991	10	20	CDCD	
CC(C)[C@@H](C(=O)NCc1ccc(O)c(O)c1)N(C)C	778929184	GLMCZWBQIMHKSK-ZDUSSCGKSA-N	266.341	1.300	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCO[C@@H]1C	773741207	TVXAINGUGCIZDC-FOGDFJRCSA-N	279.336	1.570	10	20	CDCD	
CCc1nnc(COC(=O)/C=C\c2ccc(O)c(O)c2)o1	772769707	PUGFQUFUNMNWEM-XQRVVYSFSA-N	290.275	1.800	10	20	CDCD	
CCOCc1cc(CN[C@H]2C[C@H](O)[C@H](O)C2)ccc1OC	886243281	UIZFLJVXIYUSGN-QKDCVEJESA-N	295.379	1.206	10	20	CDCD	
Oc1c(F)cc(F)cc1CN[C@@H]1CCc2nnnn2CC1	883148066	SXEAMHCLGBKADY-SNVBAGLBSA-N	295.293	1.152	10	20	CDCD	
Cn1nc(CNC(=O)c2cc(O)cs2)cc1C1CC1	885904505	VQVNZCFRWCRMEH-UHFFFAOYSA-N	277.349	1.995	10	20	CDCD	
COCC[C@H](N)C(=O)NCc1ccc(N2CCCC2)cc1	884193824	QOQIYRLJDMVRQO-HNNXBMFYSA-N	291.395	1.267	10	20	CDCD	
CN(CCn1cccn1)C(=O)c1c(F)ccc(O)c1O	789977520	UPHMGRCAVGNUAS-UHFFFAOYSA-N	279.271	1.206	10	20	CDCD	
COc1cc(Cl)cc(CN2CCO[C@H](OC)C2)c1O	895969198	ZEGMDNAUQDVYPB-LBPRGKRZSA-N	287.743	1.859	10	20	CDCD	
CCOC1CN(Cc2cc(C)cc(OC)c2O)C1	894970581	HOZQUHDQDLRMFX-UHFFFAOYSA-N	251.326	1.930	10	20	CDCD	
COC[C@H](NCc1c(O)ccc(Cl)c1F)C(=O)OC	792178648	DROKUBDKECFFGM-VIFPVBQESA-N	291.706	1.462	10	20	CDCD	
COc1cccc(CN2CC[C@@](OC)(C(=O)O)C2)c1O	703741913	LKXRSFCTAFBEMR-AWEZNQCLSA-N	281.308	1.076	10	20	CDCD	
COC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	790469917	FZLWLMCTGBDPAH-UHFFFAOYSA-N	264.325	1.721	10	20	CDCD	
CN(C)Cc1cc(C(=O)N(C)Cc2ccccc2O)no1	1324779575	VLBVRGPCVKGRRU-UHFFFAOYSA-N	289.335	1.714	10	20	CDCD	
Nc1ccc(CNC(=O)N2C[C@H]3[C@@H](O)CC[C@H]3C2)cc1	1346739301	PETKIPROBDYOBJ-YUTCNCBUSA-N	275.352	1.181	10	20	CDCD	
CC[C@@H](NCc1ccc(N2CCN(C)CC2)cc1)[C@@H](C)O	1261256414	GISANYQAIHUISW-RHSMWYFYSA-N	291.439	1.687	10	20	CDCD	
Nc1ccc(CNC(=O)CN2CCSC2=O)cc1	1356238741	KNRUKEDDCGQNSY-UHFFFAOYSA-N	265.338	1.054	10	20	CDCD	
CC(=O)C(=O)COc1ccc(C(=O)O)cc1Cl	1589021574	PPFIESWKQVCETB-UHFFFAOYSA-N	256.641	1.575	10	20	CDCD	
COc1cc(/C=C2/SC(=S)NC2=O)ccc1C(=O)O	1777287532	HLJPMPWVWJSSJW-WEVVVXLNSA-N	295.341	1.882	10	20	CDCD	
CN(C)c1ccc(CNC(=O)C2=COCCO2)cc1	18215172	MCBREMYBHUPVQU-UHFFFAOYSA-N	262.309	1.257	10	20	CDCD	
CC(C)OC[C@H](O)CN(C)Cc1ccccc1O	269046861	NSJPBCXYLAQZGM-CYBMUJFWSA-N	253.342	1.610	10	20	CDCD	
CO[C@H]1CCCN(Cc2cc3c(cc2O)OCO3)C1	76266302	WEBSCKKDSKOYJV-NSHDSACASA-N	265.309	1.732	10	20	CDCD	
COCC1(NCc2ccc(N3CCOCC3)cc2)CC1	697454135	UAJMWDUQWASLSU-UHFFFAOYSA-N	276.380	1.792	10	20	CDCD	
OCC1(NCc2ccc3c(c2)CCCO3)CCOCC1	921751450	XCVMXRYATQHSLG-UHFFFAOYSA-N	277.364	1.643	10	20	CDCD	
CN(Cc1ccc(Br)cc1O)[C@H]1CCNC1=O	824943636	PSKADHVHJNTCDE-JTQLQIEISA-N	299.168	1.475	10	20	CDCD	
COCCCNC(=O)[C@@H](C)N(C)Cc1ccccc1O	111236045	YQZGAGYJZYJTPA-GFCCVEGCSA-N	280.368	1.365	10	20	CDCD	
CNC(=O)[C@@H](C)CN(C)Cc1cccc(C)c1O	180681360	ZLLJCIQBMNUXRH-NSHDSACASA-N	250.342	1.515	10	20	CDCD	
CCCCCOCC(=O)NCc1ccc(O)c(O)c1	182530156	SEXAYJDUCOLAEA-UHFFFAOYSA-N	267.325	1.921	10	20	CDCD	
CC(=O)NC[C@@H]1CN(Cc2cccc(C)c2O)CCO1	180283271	ZCOCTEOOKFNCMZ-CQSZACIVSA-N	278.352	1.038	10	20	CDCD	
CN(C)C(=O)[C@@H]1CCCN1Cc1ccc(N(C)C)cc1	122574583	YFBWUMCJEVOXRE-HNNXBMFYSA-N	275.396	1.805	10	20	CDCD	
C[C@H]1CCCN(C(=O)Cc2ccc(N)cc2)[C@@H]1CN	237701311	OGNBILOKKYCIJL-SMDDNHRTSA-N	261.369	1.397	10	20	CDCD	
COc1cccc(CN2CCC[C@H](CN)C2)c1O	44527625	YYNGQCWJSZVZKN-LLVKDONJSA-N	250.342	1.572	10	20	CDCD	
COc1ccc(O)c(CN2CCC[C@]23CCOC3=O)c1	190034013	KBJFNUDVKCHOIK-OAHLLOKOSA-N	277.320	1.682	10	20	CDCD	
COc1cccc(CN2CCC(CN)CC2)c1O	44511661	KVSHPLDCZLOIAL-UHFFFAOYSA-N	250.342	1.572	10	20	CDCD	
O=C(NCc1ccccc1O)[C@H]1CSCCS1	267534260	XHQLNQOBPDOSBH-LLVKDONJSA-N	269.391	1.857	10	20	CDCD	
CO[C@H]1CCN(C(=O)NCc2ccc(N(C)C)cc2)C1	267653660	ASAOVUATTAWPKI-AWEZNQCLSA-N	277.368	1.683	10	20	CDCD	
O=C1OCC[C@@]12CCCN2Cc1cc2c(cc1O)OCO2	275147908	RBUZOCJCKSHJAD-HNNXBMFYSA-N	291.303	1.402	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N(CCO)C2CCC2)cc1	275937199	RXTMMRXTLGOJLL-UHFFFAOYSA-N	291.395	1.809	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)CCc1ncc[nH]1	279294914	ZDBAUTKSXQHWFE-UHFFFAOYSA-N	259.309	1.707	10	20	CDCD	
O=C(NCCN1CCCCC1)c1c(F)ccc(O)c1O	276554945	ILNNIGJSGHDBEL-UHFFFAOYSA-N	282.315	1.453	10	20	CDCD	
CN(C)[C@H]1CCC[C@@H](NC(=O)c2c(F)ccc(O)c2O)C1	276637613	ULTJSVJXYUDJEN-ZJUUUORDSA-N	296.342	1.840	10	20	CDCD	
CN(C)C1(CNC(=O)NCc2ccccc2O)CCC1	275523576	VUACSWVDFVAYSS-UHFFFAOYSA-N	277.368	1.676	10	20	CDCD	
CC(C)C[C@@H](CO)NC(=O)c1c(F)ccc(O)c1O	276517028	BYGPZOZONMQMIU-QMMMGPOBSA-N	271.288	1.374	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H](c2ncon2)C(C)C)c(O)c1O	286918718	CPNOUQMVAHXRRN-SNVBAGLBSA-N	291.307	1.916	10	20	CDCD	
CCN[C@@H](C)C(=O)N1CCOc2cc(N(C)C)ccc21	638132994	POLAPTCNQBSWAL-NSHDSACASA-N	277.368	1.476	10	20	CDCD	
CO[C@@H]1[C@H]2C[C@@H]3CN(C(=O)c4cc(O)cs4)[C@@H]1[C@H]3C2	807688556	LOTMQKRJHQCQDL-OKQLBERTSA-N	279.361	1.949	10	20	CDCD	
COc1ccc2c(c1)CCCN2C[C@@H](O)CN(C)C1CC1	809934148	JJKMDMMITXCSRD-HNNXBMFYSA-N	290.407	1.903	10	20	CDCD	
COCC1(O)CN(Cc2cc(C)c(C)cc2O)C1	297484481	JZHBFIARMFAVEM-UHFFFAOYSA-N	251.326	1.202	10	20	CDCD	
O=C(O)CCCNCc1cc([N+](=O)[O-])ccc1O	819460006	AGWBGFUSSPHMPT-UHFFFAOYSA-N	254.242	1.255	10	20	CDCD	
CCNC(=O)CC(=O)N[C@H](C)c1ccccc1O	827941681	VZBQLEXNHZIMHO-SECBINFHSA-N	250.298	1.096	10	20	CDCD	
Cc1ccc(C(=O)NC2CCC(C(=O)O)CC2)c(O)c1O	821064097	RNCWJPMKPNGNQD-UHFFFAOYSA-N	293.319	1.779	10	20	CDCD	
Cn1cnc(/C=C/C(=O)N2C[C@H](CO)Cc3ccccc32)c1	820019810	PKXXQXBPALGPKN-KTRBRXNASA-N	297.358	1.631	10	20	CDCD	
O=S(=O)(Nc1ccc(O)cc1)c1cnc2n1CCCC2	901813734	AURGCCMLRZUEHI-UHFFFAOYSA-N	293.348	1.726	10	20	CDCD	
C[C@@H](NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)C1CNC1	902517035	JELWTGSLWGVKGK-DYVFJYSZSA-N	290.455	1.553	10	20	CDCD	
COC[C@H]1COCCN1Cc1c(O)ccc2ccncc12	902564618	UWHWCHMTIHLERN-ZDUSSCGKSA-N	288.347	1.788	10	20	CDCD	
CCCc1cc(C(=O)NCc2ccc(N)cc2)n[nH]1	837302753	FIKYQLJPEMQFNF-UHFFFAOYSA-N	258.325	1.874	10	20	CDCD	
COCC(C)(C)NCC(=O)NCc1ccc(N(C)C)cc1	839479590	NCFDSNGPOOVCHZ-UHFFFAOYSA-N	293.411	1.383	10	20	CDCD	
CNC(=O)c1cccc(C(=O)NCc2ccccc2O)c1	743329472	XYRWKQSFHNALHM-UHFFFAOYSA-N	284.315	1.682	10	20	CDCD	
COC/C(C)=C/C(=O)NCc1ccc(OC)cc1O	846061774	SZBACLZSRNYPKU-UXBLZVDNSA-N	265.309	1.610	10	20	CDCD	
CCOc1ccc(CNCCS(=O)(=O)C2CC2)c(O)c1	840964977	VFEGEEKGLWNFOJ-UHFFFAOYSA-N	299.392	1.458	10	20	CDCD	
C[C@@H](c1nnnn1C)N1CCCc2cc(CN)ccc21	843350114	JGZRMVJOYRJZAE-JTQLQIEISA-N	272.356	1.183	10	20	CDCD	
CC[C@@H](N)CNC(=O)NCc1c(O)ccc2c1CCCC2	842007026	OHNFEZNVKTTYSP-GFCCVEGCSA-N	291.395	1.808	10	20	CDCD	
C[C@@H](NC[C@H](O)Cn1ccnn1)c1cc(Cl)ccc1O	840805058	LNJSIUJGOFEQDV-KOLCDFICSA-N	296.758	1.349	10	20	CDCD	
COc1ccc(N(C)CCN(C)CCCCO)cc1	844399848	PZARFIJGJPFKPG-UHFFFAOYSA-N	266.385	1.836	10	20	CDCD	
CC[C@H](NC[C@@H]1CNC(=O)C1)c1ccc(N(C)C)cc1	840833157	LPTOZEOQWXCXIE-DOMZBBRYSA-N	275.396	1.929	10	20	CDCD	
CS(=O)(=O)CCN(C(=O)c1cc(O)cs1)C1CC1	753849059	OEPUYZKKEBCMDH-UHFFFAOYSA-N	289.378	1.103	10	20	CDCD	
COC/C=C\C(=O)NCc1cc(OC)ccc1O	866766178	LHVOKQUSLMOGNO-ARJAWSKDSA-N	251.282	1.220	10	20	CDCD	
CN(CCOCC1CC1)Cc1cc2c(cc1O)OC[C@@H]2O	768462622	AOTGTMJUKFQYRI-HNNXBMFYSA-N	293.363	1.676	10	20	CDCD	
O=S(=O)(Nc1ccccc1O)c1cccc2nonc12	765015874	RFXZSYLDXPVQKV-UHFFFAOYSA-N	291.288	1.729	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H](CO)CC(F)F	760679015	RFNSINVSDCNYHO-HDMKULJXSA-N	287.262	1.243	10	20	CDCD	
COc1ccc(O)c(CNC(=O)NC[C@@H]2CC(C)=NO2)c1	875973758	JIEPIZZUYNXRAT-LBPRGKRZSA-N	293.323	1.365	10	20	CDCD	
O=C(NC[C@@H]1COC2(CCOCC2)O1)c1cc(O)cs1	777530761	KRSWCJVTSMPVSN-SNVBAGLBSA-N	299.348	1.106	10	20	CDCD	
O=C(NCCCOc1ncccn1)c1cc(O)cs1	880604446	XQHDOUBRLJBRBL-UHFFFAOYSA-N	279.321	1.443	10	20	CDCD	
COc1cc(O)c(CNC2(CO)CCCC2)cc1OC	777487405	XNQRSHLECQABLU-UHFFFAOYSA-N	281.352	1.804	10	20	CDCD	
CN1CCN(c2ccc(CNC(=O)c3cnc[nH]3)cc2)CC1	881851039	BFCWWIQKYIDIOA-UHFFFAOYSA-N	299.378	1.092	10	20	CDCD	
Nc1ccc(CNC(=O)NC[C@H]2CCSC2)cc1	1120532748	LYKSVVGGXGTCJP-LLVKDONJSA-N	265.382	1.821	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@@H](CF)C1	1120328504	SMHMACYOZXLLHF-NSHDSACASA-N	294.326	1.169	10	20	CDCD	
O=C(NCc1ccccc1O)c1cccn2c(O)nnc12	780985185	PHYLXIKAAXRVJP-UHFFFAOYSA-N	284.275	1.071	10	20	CDCD	
CCc1cccc(CN2C[C@@H](O)C[C@]2(C)CO)c1O	895326505	YOROORSXBULVHD-DZGCQCFKSA-N	265.353	1.272	10	20	CDCD	
CCN1CCN(C(=O)c2ccc(C)c(O)c2O)C[C@@H]1C	780995672	QQMPOMLBECXNTD-NSHDSACASA-N	278.352	1.572	10	20	CDCD	
CCN[C@H](C)C[C@H](C)NC(=O)c1cc(OC)nc(OC)c1	1134871038	CBONRJBZBZRFAA-MNOVXSKESA-N	295.383	1.605	10	20	CDCD	
COc1ccc(CNC[C@@]2(OC)CCOC2)c(O)c1OC	893612137	NQZVXTYBPZHUJH-HNNXBMFYSA-N	297.351	1.305	10	20	CDCD	
CS(=O)(=O)C1CN(Cc2ccc(N3CCCC3)cc2)C1	1204327562	YZZXUWYTDYGTOZ-UHFFFAOYSA-N	294.420	1.516	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@H]2CC[C@H](N)CC2)cc1	710884495	XGKLGWDQINCBLU-HDJSIYSDSA-N	275.396	1.886	10	20	CDCD	
CC[C@@H](CCO)NCc1ccc(N2CCOCC2)cc1	77452431	HVKGGWMRPDGLBQ-HNNXBMFYSA-N	278.396	1.774	10	20	CDCD	
CN1CC[C@H](NCc2ccc(Br)cc2O)C1	691431409	VXNLCSSLQKJFJO-NSHDSACASA-N	285.185	1.948	10	20	CDCD	
Cc1csc(C(=O)NCc2ccc(O)c(O)c2)n1	1318948032	RLJAMAIWHZKYNG-UHFFFAOYSA-N	264.306	1.793	10	20	CDCD	
CC(C)CCN(C)C(=O)C(=O)NCCc1ccc(N)cc1	1325745052	FLEYSZRPYFGMOY-UHFFFAOYSA-N	291.395	1.432	10	20	CDCD	
C[C@]1(CO)CCCN(C(=O)c2cc(O)cs2)C1	1334327737	MMROZWJNOVFOKO-LBPRGKRZSA-N	255.339	1.688	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)c1cnn2c1NCCC2	1347014171	IJGYYZNIHKBOEI-UHFFFAOYSA-N	286.335	1.677	10	20	CDCD	
O=C(NCc1cccc(O)c1O)c1coc(CC2CC2)n1	1548791603	FARABFSKWLJBBJ-UHFFFAOYSA-N	288.303	1.968	10	20	CDCD	
C[C@H]1OCC[C@@]1(O)CNCc1c(O)cccc1Cl	227968755	HIJWZYUALRXZMT-NOZJJQNGSA-N	271.744	1.675	10	20	CDCD	
C[C@H](NCc1cn(C)cn1)c1cc(C(=O)O)ccc1O	1593310019	FCVWNSAIUHWJFX-VIFPVBQESA-N	275.308	1.675	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CC=C(C(=O)O)CC2)c1O	1776210806	SYBHFWPIZUPJLR-UHFFFAOYSA-N	293.294	1.951	10	20	CDCD	
COc1cc(O)ccc1/C=C1\SC(=S)NC1=O	11285188	KAWSFTBQUATNGW-WTKPLQERSA-N	267.331	1.890	10	20	CDCD	
CC(C)(C)CC(=O)NCC(=O)Nc1ccc(N)cc1	160393880	HHXWTUZCIYKXKY-UHFFFAOYSA-N	263.341	1.760	10	20	CDCD	
CC(C)c1cc(C(=O)NCc2ccc(O)c(O)c2)n[nH]1	159017925	UZKWSYPPLICBLQ-UHFFFAOYSA-N	275.308	1.874	10	20	CDCD	
COc1cccc(CN2CCO[C@H](CF)C2)c1O	840955002	PRBWXMSQGHCYDO-LLVKDONJSA-N	255.289	1.571	10	20	CDCD	
C[C@H](NCCO[C@H]1CCOC1)c1cc(F)ccc1O	927079492	FEBCAMZLTRRVFO-JQWIXIFHSA-N	269.316	1.987	10	20	CDCD	
Cc1nn(C)c(NCc2ccc(N)cc2)c1[N+](=O)[O-]	159522548	CPJAAMHPWBUGJI-UHFFFAOYSA-N	261.285	1.831	10	20	CDCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NCCS(C)(=O)=O	37740553	GSCDFOMLJNAJLA-MNOVXSKESA-N	283.393	1.883	10	20	CDCD	
CCN(CCN)Cc1cc(Br)ccc1O	300762917	NLSJLVDCZVCTQP-UHFFFAOYSA-N	273.174	1.935	10	20	CDCD	
CCNC(=O)C(C)(C)NCc1cc(OC)ccc1O	312876845	BLJOEQUCAIIGAI-UHFFFAOYSA-N	266.341	1.405	10	20	CDCD	
COC[C@H](O)CCNCc1cc(F)cc(F)c1O	708455164	UOXNPKKBAQBESC-SNVBAGLBSA-N	261.268	1.157	10	20	CDCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NC[C@H]1CNC(=O)C1	398423865	WIJTZMJNEZCAAD-WOPDTQHZSA-N	274.364	1.975	10	20	CDCD	
CN(C)c1ccc(CN2CCC(O)CC2)cc1F	162251527	IVJPEADDBBYEQF-UHFFFAOYSA-N	252.333	1.848	10	20	CDCD	
Cc1ccc(C(=O)N2CC[C@@H]3CC[C@H](C2)N3C)c(O)c1O	179531182	HRCQJTGAVACQKE-NWDGAFQWSA-N	290.363	1.715	10	20	CDCD	
CCCNC(=O)CCC(=O)NCc1cc(OC)ccc1O	114541376	IFFXYOMNEKNFFK-UHFFFAOYSA-N	294.351	1.323	10	20	CDCD	
Cn1ccc(CNCc2ccc(N3CCOCC3)cc2)n1	112342396	VLYFMPZFPQEUEW-UHFFFAOYSA-N	286.379	1.547	10	20	CDCD	
COCCN(CC(=O)N(C)C)c1ccc(OC)c(OC)c1	177130532	NQPVVBTXLYWYEW-UHFFFAOYSA-N	296.367	1.245	10	20	CDCD	
Cc1ccc(C(=O)NCC[S@](=O)C(C)(C)C)c(O)c1O	177685578	GOVHBBAUNKEAIJ-FQEVSTJZSA-N	299.392	1.683	10	20	CDCD	
C[C@]1(O)CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1	181297899	IDDFYLAOVISNDC-DRDHIDPGSA-N	277.320	1.484	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CCn2cccn2)cc1F	123465354	NSVIVUCHRDQDBF-UHFFFAOYSA-N	290.342	1.795	10	20	CDCD	
Cc1ccc(C(=O)NCc2ccn3ccnc3c2)c(O)c1O	182811321	WEPDCVJDHXUAAE-UHFFFAOYSA-N	297.314	1.984	10	20	CDCD	
COC(CN(C)Cc1ccc(N2CCOCC2)cc1)OC	188943648	JODWTLHBZFRAQT-UHFFFAOYSA-N	294.395	1.574	10	20	CDCD	
CCOCCN(C)Cc1cc2c(cc1O)OCO2	156089842	GPQNCMGRNUXZNI-UHFFFAOYSA-N	253.298	1.589	10	20	CDCD	
C[C@H](CCO)NC(=O)NCCCSc1nccs1	121361458	WACZNOJJPCCUFR-SECBINFHSA-N	289.426	1.695	10	20	CDCD	
COCCS(=O)(=O)Nc1cc(C)c(O)c(C)c1C	187058584	SERCODVDLKVGFU-UHFFFAOYSA-N	273.354	1.706	10	20	CDCD	
COc1cccc(CNC(=O)c2c[nH]c(C#N)c2)c1O	181276423	KITOOYXYUONFIA-UHFFFAOYSA-N	271.276	1.531	10	20	CDCD	
COC[C@H](CNCc1ccc(OC)c(C)c1)OC	227708124	LSOCNADXCUCPAD-ZDUSSCGKSA-N	253.342	1.755	10	20	CDCD	
CCN1CCCC[C@@H]1CNC(=O)Cc1ccc(N)cc1	237067158	JDOUISNGRJPNMV-OAHLLOKOSA-N	275.396	1.802	10	20	CDCD	
COC[C@@H](CCO)N[C@H](C)c1cc(C)ccc1O	230663249	YYMAIIZEZUQQON-VXGBXAGGSA-N	253.342	1.749	10	20	CDCD	
CC[C@H](CO)N[C@H](C)c1ccc(N2CCOCC2)cc1	268712506	KWZJYUSVLYKRCB-UKRRQHHQSA-N	278.396	1.945	10	20	CDCD	
C[C@@H]1CN(CCCNCc2ccccc2O)CCCO1	277951006	RMFTWJYSVYSYDR-CQSZACIVSA-N	278.396	1.983	10	20	CDCD	
CN(C)c1ccc(CNC(=O)C[C@@](C)(O)C2CC2)cc1	270160713	YUIQJTBDGYCJST-MRXNPFEDSA-N	276.380	1.920	10	20	CDCD	
Cc1cccc(CN2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)c1O	373738389	OUOLCIRVARQHHR-FPMFFAJLSA-N	274.364	1.786	10	20	CDCD	
CCOCCNC(=O)COc1ccc(N(C)C)cc1	289453462	VBOYFFLDKOFVEV-UHFFFAOYSA-N	266.341	1.284	10	20	CDCD	
CC[C@H](C)[C@H](NC(C)=O)C(=O)NCc1ccc(O)c(O)c1	286769616	NKNYVPNFXIQWKO-XPTSAGLGSA-N	294.351	1.265	10	20	CDCD	
CCN(CC)c1ccc(CN(C)[C@@H]2COC[C@H]2O)cc1	289709451	OUYSHVFMGPUAIX-HZPDHXFCSA-N	278.396	1.724	10	20	CDCD	
COc1ccc(O)c(CN(C)C[C@H](O)C(F)(F)F)c1	809751302	QCUQRZACDIGMHU-NSHDSACASA-N	279.258	1.756	10	20	CDCD	
CC(=O)C(=O)COc1ccccc1C(=O)N1CCCCC1	808015120	FETKNPLARYVNAB-UHFFFAOYSA-N	289.331	1.850	10	20	CDCD	
CNC(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1	818048348	OCBNYBTVOJZWTE-NSHDSACASA-N	263.341	1.451	10	20	CDCD	
CN(C)c1ccc(CN2CCOC[C@H]2C(=O)O)cc1F	901989793	XXGORUDLGVTJLE-ZDUSSCGKSA-N	282.315	1.177	10	20	CDCD	
COc1ccc(CNC(=O)[C@@H]2CCCC[C@]2(C)N)c(O)c1	832178878	YSXBOOQKIZZABT-BBRMVZONSA-N	292.379	1.925	10	20	CDCD	
CNC[C@H]1CCCN1C(=O)NCc1ccc(N(C)C)cc1	841654053	MKUCFOREZAYESL-OAHLLOKOSA-N	290.411	1.646	10	20	CDCD	
Cc1nonc1CC(=O)N[C@H](C)c1ccc(N(C)C)cc1	845956557	JGKXMQHHSFQZEP-SNVBAGLBSA-N	288.351	1.864	10	20	CDCD	
COc1ccc(CNCCCN2CCNCC2)cc1C	841030775	VDQBZSWKGZGTMG-UHFFFAOYSA-N	277.412	1.389	10	20	CDCD	
CCN1CCC(NC[C@@H](N)c2ccc(N(C)C)cc2)CC1	841045110	HXKUWPTXENTHKF-QGZVFWFLSA-N	290.455	1.826	10	20	CDCD	
COc1cc(O)c(CN2CC[C@](C)(CN)C2)cc1OC	843117965	XIZRSRRCPIYVFK-OAHLLOKOSA-N	280.368	1.580	10	20	CDCD	
CC(C)(C)[C@H](O)Cc1cn(-c2ccc(N)cc2)nn1	849134748	NYQGFSXPOFRYLK-CYBMUJFWSA-N	260.341	1.799	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N[C@H]2CCCNC2)cc1F	841759463	GBOSYGBAOQZHGT-LBPRGKRZSA-N	294.374	1.443	10	20	CDCD	
COc1ccc(N(C)CCN(C)C(=O)[C@H]2CCCN2)cc1	846697820	WSXMEVVZBUQABX-OAHLLOKOSA-N	291.395	1.342	10	20	CDCD	
CC[C@@H](C)[C@@H](C)NC(=O)C(=O)Nc1ccc(N)cc1	841022235	QWXGSECNPGKLKB-NXEZZACHSA-N	263.341	1.758	10	20	CDCD	
CCN1C[C@@H](CNC(=O)NCc2ccccc2O)CC1=O	844938506	HXYVGVIEJBAADV-LLVKDONJSA-N	291.351	1.060	10	20	CDCD	
C[C@H](O)[C@@H](O)CN(Cc1ccccc1O)C1CCCC1	929636682	YTUVAESGIGHMRD-LRDDRELGSA-N	279.380	1.879	10	20	CDCD	
CN1C(=O)C(=Cc2nc(Cl)cs2)C(=O)N(C)C1=O	759073915	QBGDDKVTUNBMFU-UHFFFAOYSA-N	285.712	1.230	10	20	CDCD	
O[C@H]1CCN(Cc2ccc(N3CCOCC3)c(F)c2)C1	768410032	RBZYOBAPBSQCTB-ZDUSSCGKSA-N	280.343	1.229	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@H]2CCc3nncn3C2)c1	862756217	UAMYDDDDYHBJCV-NSHDSACASA-N	286.335	1.171	10	20	CDCD	
CCc1nc([C@@H](C)NC(=O)c2cc(O)cs2)n[nH]1	763221706	DMPBWPAYSJTMBE-ZCFIWIBFSA-N	266.326	1.625	10	20	CDCD	
CNS(=O)(=O)CCCN[C@@H](C)c1ccc(C)cc1O	866457067	IGWFZZQGTNBAPM-NSHDSACASA-N	286.397	1.291	10	20	CDCD	
C[C@@H](N)[C@H]1CN(Cc2ccc(N3CCCC3)cc2)CCO1	1118179124	LGOLNLZORSJZKG-RHSMWYFYSA-N	289.423	1.835	10	20	CDCD	
CN1CCN(c2ccc(CN3CCC[C@@H](O)C3)cc2)CC1	775638091	AFXYYFSBJJYQAB-QGZVFWFLSA-N	289.423	1.395	10	20	CDCD	
COc1ccc(CNC(=O)c2cccc(O)c2O)cc1O	776676705	CDABTPDPLKKWGK-UHFFFAOYSA-N	289.287	1.742	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CC[C@H](O)[C@H]2CCCC[C@@H]21	871200138	NICVLAZLZLKFLX-DRZSPHRISA-N	291.347	1.863	10	20	CDCD	
Cc1ncc(NC(=O)/C=C\c2ccc(O)c(O)c2)cn1	779512102	LYCFWEMVSIYUHY-HYXAFXHYSA-N	271.276	1.848	10	20	CDCD	
COCCN1CCC(NCc2c(C)cccc2O)CC1	876987028	PWHKSCIREQLRHE-UHFFFAOYSA-N	278.396	1.901	10	20	CDCD	
CN(C)c1ccc(CN(C)[C@H]2CCNC2=O)cc1F	770381689	PFPSQNUNOOCSLU-ZDUSSCGKSA-N	265.332	1.212	10	20	CDCD	
C[C@@H](NC(=O)[C@H]1CC(=O)N(C)C1)c1ccc(N(C)C)cc1	773010283	NUIVRQQITNWRDK-YPMHNXCESA-N	289.379	1.408	10	20	CDCD	
O=[N+]([O-])c1ccc(O)c(CN[C@H]2CCCC23OCCO3)c1	883178603	AFOSSPDFDOERRC-ZDUSSCGKSA-N	294.307	1.686	10	20	CDCD	
OCC[C@@]1(NCc2cc(F)cc(F)c2O)CCOC1	883105338	GUOAOHJKLWDTPX-CYBMUJFWSA-N	273.279	1.302	10	20	CDCD	
Cn1cc(/C=C2/SC(=S)NC2=O)c(C2CC2)n1	899336785	ZKCLDGDDRXLERS-XBXARRHUSA-N	265.363	1.786	10	20	CDCD	
Nc1ccc(CCNC(=O)N2CCc3ncncc3C2)cc1	892038971	MPORWVMYKAINPB-UHFFFAOYSA-N	297.362	1.369	10	20	CDCD	
COCCN1CC[C@@H](N[C@@H](C)c2ccccc2O)C1	272830984	HWTBDOWGEPSCBE-QWHCGFSZSA-N	264.369	1.764	10	20	CDCD	
COc1cccc(CNC(=O)NCCCCCCN)c1O	1326026914	JJTQRLWSFDYZKF-UHFFFAOYSA-N	295.383	1.719	10	20	CDCD	
CSC[C@H](NCc1ccc(N(C)C)cc1)C(=O)O	1331996271	QPELVPAKLWLUSP-LBPRGKRZSA-N	268.382	1.658	10	20	CDCD	
C[C@H]1CN(c2nnc(-c3sccc3O)n2C)C[C@@H](C)O1	1339452725	BTWRUAIDBAMJLA-DTORHVGOSA-N	294.380	1.863	10	20	CDCD	
CN(C)c1cc(F)c(CNCC2(C(=O)O)CC2)cc1F	1261845622	ISSPGLIUUHQNQZ-UHFFFAOYSA-N	284.306	1.985	10	20	CDCD	
CC[C@@H](C)N1CCN(C(=O)NCc2ccc(N)cc2)CC1	1262603858	XLXMNMQVMJZWCW-CYBMUJFWSA-N	290.411	1.895	10	20	CDCD	
CO[C@H](C(=O)NCc1cccc(O)c1O)C1CCCC1	1347233258	GHJKTIFJNQEQSY-AWEZNQCLSA-N	279.336	1.919	10	20	CDCD	
NCC[C@@H](NC(=O)NCc1ccc(N)cc1)C(F)F	1353501357	HZMLYUNXOHUKKL-SNVBAGLBSA-N	272.299	1.051	10	20	CDCD	
Cn1cc(NC(=O)c2cccc(O)c2O)cc1C(=O)O	1608120666	KNSAERRYIBUQLN-UHFFFAOYSA-N	276.248	1.387	10	20	CDCD	
CCOc1cccc(CN[C@H](C)C(=O)NC(C)C)c1O	228941428	MHHBALQZEHLYDG-LLVKDONJSA-N	280.368	1.794	10	20	CDCD	
O=C(O)c1cccc(C(=O)NCc2cc(O)ccc2O)c1	1595241276	LVBHNXHQWQXRJM-UHFFFAOYSA-N	287.271	1.726	10	20	CDCD	
CO[C@@]1(CN[C@@H](C)c2cc(F)ccc2O)CCOC1	123188292	GOKXDYXFVMDGFI-IINYFYTJSA-N	269.316	1.987	10	20	CDCD	
COc1cccc(CNc2cc(C(=O)O)ncn2)c1O	1777380245	QKWDVQKPQMMNRW-UHFFFAOYSA-N	275.264	1.501	10	20	CDCD	
C[C@H](NCc1cc(F)ccc1O)[C@@H](O)C(F)(F)F	877693909	UEMUAJXNAAFXAF-QUBYGPBYSA-N	267.222	1.933	10	20	CDCD	
CC1(NCc2ccc(N3CCOCC3)cc2)COC1	877691734	USBHQINTACKMBV-UHFFFAOYSA-N	262.353	1.402	10	20	CDCD	
C[C@H](CC(C)(C)O)NCc1cc2c(cc1O)OCO2	295096162	SBVGCDXEGPHBBV-SECBINFHSA-N	267.325	1.760	10	20	CDCD	
C[C@H]1C[C@@H](NCc2ccc(N3CCOCC3)cc2)CO1	402041754	JBOVQLRSHNDLQV-DZGCQCFKSA-N	276.380	1.790	10	20	CDCD	
CC1(C)CN(C(=O)Cc2ccc(N)cc2)CCCO1	370763962	SGHNHSZDHYGOJZ-UHFFFAOYSA-N	262.353	1.839	10	20	CDCD	
CC[C@@H](N)CNCc1ccc(N2CCN(C)CC2)cc1	107797419	QTAMZXLUHCYFKQ-OAHLLOKOSA-N	276.428	1.265	10	20	CDCD	
CCOc1ccc(O)c(CNC[C@@]2(O)CCSC2)c1	176755539	RQRWDODAXHNALH-AWEZNQCLSA-N	283.393	1.749	10	20	CDCD	
O=S1(=O)CC[C@@H](N(Cc2ccccc2O)C2CC2)C1	179558173	IYDOFBVZWXKBTL-CYBMUJFWSA-N	281.377	1.544	10	20	CDCD	
CN(C)c1ccc(CNC(=O)C(=O)NC/C=C/Cl)cc1	1262223028	IIUXLOSNAUHQQH-FPYGCLRLSA-N	295.770	1.238	10	20	CDCD	
Cc1cc(Cl)cc(CN2C[C@@H](C)O[C@@H](C(N)=O)C2)c1O	180727002	HTIKETYDZDXWSW-BXKDBHETSA-N	298.770	1.429	10	20	CDCD	
CCO[C@@H](C)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	186402689	LDXKOHYHTXYJDT-ZJUUUORDSA-N	267.325	1.570	10	20	CDCD	
CCCS(=O)(=O)CC(=O)N(C)c1ccc(N)cc1	35058345	VLHHFCMMZFQBMS-UHFFFAOYSA-N	270.354	1.056	10	20	CDCD	
CC[C@H](C)NC(=O)CN[C@@H](C)c1cc(OC)ccc1O	182406423	GHZVKKBBGKSHFN-QWRGUYRKSA-N	280.368	1.966	10	20	CDCD	
CC(C)(C)[C@@H](N)CC(=O)NCc1ccccc1O	228423204	MVGIHIBASWXJKC-LBPRGKRZSA-N	250.342	1.772	10	20	CDCD	
Cc1cc(O)c(CNC[C@H]2CCCS2(=O)=O)cc1C	131746179	SXNNFEFUSDHADN-CYBMUJFWSA-N	283.393	1.676	10	20	CDCD	
COC(=O)[C@H](C)NCc1cc(Br)ccc1O	234539086	ALLFRXPECZIWES-ZETCQYMHSA-N	288.141	1.806	10	20	CDCD	
CCOC[C@H](O)CN[C@H](C)c1cc(OC)ccc1O	182434600	NSOLIANCEHYOCV-GHMZBOCLSA-N	269.341	1.449	10	20	CDCD	
COCCO[C@H]1C[C@@H](CO)CN(Cc2ccccc2O)C1	278707119	OHUYZHIQRQCOMO-HIFRSBDPSA-N	295.379	1.238	10	20	CDCD	
CCN(CC)c1ccc(CN2C(=O)N[C@@H](C)C2=O)cc1	272349204	XLMMQYQKFZCDMG-NSHDSACASA-N	275.352	1.973	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CC[C@@H]2CCNC2)cc1F	270295332	ACAUKLXZQFODFC-GFCCVEGCSA-N	293.386	1.898	10	20	CDCD	
COc1ccc(O)c(CN[C@H]2CCc3c[nH]nc3C2)c1	376859203	YCNRNLDCXYWATP-LBPRGKRZSA-N	273.336	1.771	10	20	CDCD	
C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)c1cccc(O)c1O	288194392	CFOJFPXTXGIAFJ-NWDGAFQWSA-N	290.363	1.797	10	20	CDCD	
C[C@@H](OC[C@@H]1CCCO1)C(=O)NCc1ccc(N)cc1	297136470	HUEYVXKTNNSGEJ-RISCZKNCSA-N	278.352	1.469	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)OCc1cn[nH]c1	803400246	WDMHQOOHICECAG-RQOWECAXSA-N	260.249	1.578	10	20	CDCD	
COc1cccc(CNC(=O)CN2CCCC2)c1O	821065897	SKKKISHALOVKSE-UHFFFAOYSA-N	264.325	1.113	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1C[C@@]12CCNC2	825942877	NLXOCWMLWBHQOK-DOTOQJQBSA-N	287.407	1.711	10	20	CDCD	
CCOc1ccc(CNC[C@H]2CCOC[C@H]2OC)c(O)c1	824709552	RBCRTOASPLKSHX-CZUORRHYSA-N	295.379	1.932	10	20	CDCD	
COC[C@@](C)(O)CNCc1cc(Cl)c(C)cc1O	825253204	DZCAGWBBCWSUEE-ZDUSSCGKSA-N	273.760	1.841	10	20	CDCD	
CC[C@H](C)CN(C)Cc1cc(O)n2ncc(C(=O)O)c2n1	737776566	OOTPHKCMZRKZSM-VIFPVBQESA-N	292.339	1.611	10	20	CDCD	
S=C(NNc1ncccn1)Nc1ccc2c(c1)OCO2	735236469	RHOLYCFJDJEQFD-UHFFFAOYSA-N	289.320	1.519	10	20	CDCD	
CN1CC[C@@H]2CN(C(=O)c3cc(O)cs3)C[C@@H]21	834310448	MVEHRMOIPWEKAC-SCZZXKLOSA-N	252.339	1.230	10	20	CDCD	
O=C(N[C@@H]1CCN(C2CC2)C1)c1cc(O)cs1	732278167	VFRHVWBOJXSHLH-MRVPVSSYSA-N	252.339	1.420	10	20	CDCD	
CCN(CC(C)=O)C(=O)c1ccc(C)c(O)c1O	908389053	QNZWIPNWKDVASD-UHFFFAOYSA-N	251.282	1.457	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)Cn1ccnc1C	837424337	RSSSAUVWNLYUNR-UHFFFAOYSA-N	286.379	1.882	10	20	CDCD	
C[C@@H](NC(=O)O[C@H]1CCOC1)c1ccccc1O	919117383	CKIHUHCCVDAHPR-ZJUUUORDSA-N	251.282	1.968	10	20	CDCD	
O=S(=O)(NCc1cc(Cl)ccc1O)[C@@H]1CCOC1	845998712	QPQSIDQHTXFMSI-SNVBAGLBSA-N	291.756	1.254	10	20	CDCD	
NC[C@H]1CCCCN1C(=O)NCCc1ccc(N)cc1	841956094	VDLKBEZBRYSMGS-CQSZACIVSA-N	276.384	1.334	10	20	CDCD	
Oc1c(Br)cccc1CN1CC[C@@H]2CNC[C@@H]21	841026528	GVYNZROIOMADQD-SKDRFNHKSA-N	297.196	1.948	10	20	CDCD	
CCCCN1CC(=O)N[C@H]1c1cc2c(cc1O)OCO2	920406401	PWILOQMJDCJWQZ-CQSZACIVSA-N	278.308	1.351	10	20	CDCD	
CC(=O)N1CC[C@@H](NCc2cccc(Cl)c2O)C1	857068571	AQOWEUSWDHLNGL-LLVKDONJSA-N	268.744	1.756	10	20	CDCD	
Cc1cc(CN=c2nn[nH]n2C)c(C)n1-c1ccccc1	858800671	PEQHPXOVBLESTH-UHFFFAOYSA-N	282.351	1.652	10	20	CDCD	
CCOc1ccc(CN2CCN3C(=O)OC[C@H]3C2)c(O)c1	769484086	UHPQKCIMSXMLTM-GFCCVEGCSA-N	292.335	1.427	10	20	CDCD	
CCOc1ccc(CN(C)CC(=O)N(C)C)c(O)c1	768192081	PRJPHYCKWVWWRE-UHFFFAOYSA-N	266.341	1.311	10	20	CDCD	
C[C@H]1C[C@@H](N[C@@H]2CCOC[C@H]2O)c2c(O)ccc(F)c21	872141219	QYQDHCQDEOQGLF-BQKRADJCSA-N	281.327	1.819	10	20	CDCD	
C[C@H](NC(=O)N1CCN(C)CC1)c1ccc(N(C)C)cc1	776237446	HCVPPPHAFBXVME-ZDUSSCGKSA-N	290.411	1.771	10	20	CDCD	
CN(Cc1nccn1C)C(=O)/C=C\c1ccc(O)c(O)c1	779475329	JZBUVXSWRYRYFN-XQRVVYSFSA-N	287.319	1.503	10	20	CDCD	
Nc1ccc(CNC(=O)N[C@@H]2CCN3CCCC[C@@H]23)cc1	1120486502	UYBQPEDVHJUXSU-CABCVRRESA-N	288.395	1.695	10	20	CDCD	
COc1ccc(CNC[C@H]2CC[C@H](O)C2)c(O)c1OC	893959565	KWQKGFJRIWVFIQ-JQWIXIFHSA-N	281.352	1.660	10	20	CDCD	
C[C@@H]1CN(Cc2cc(Cl)cc(F)c2O)C[C@@H]1O	897680896	MVSFQLGJWYDDFC-HQJQHLMTSA-N	259.708	1.997	10	20	CDCD	
C[C@@]1(CO)C[C@H](O)CN1Cc1cccc(Cl)c1O	895327968	FONAWCWXPPWRDN-GWCFXTLKSA-N	271.744	1.363	10	20	CDCD	
C[C@H](NCC1(C)OCCO1)c1ccc(F)cc1O	186211638	MPQSCVINYUQEGD-VIFPVBQESA-N	255.289	1.945	10	20	CDCD	
CC[C@@H](C(=O)NCc1ccc(N(C)C)cc1C)C(=O)OC	790648748	PFVCWUPMTJDVCO-AWEZNQCLSA-N	292.379	1.876	10	20	CDCD	
COc1cccc(O)c1CNC[C@@H]1CCCS1(=O)=O	765267592	OXEMJAGDJDFNQS-JTQLQIEISA-N	285.365	1.068	10	20	CDCD	
CN1C[C@@H](CN2CCOc3cc(N(C)C)ccc32)OC1=O	1324939874	KTNAXGFIAFRLQB-LBPRGKRZSA-N	291.351	1.402	10	20	CDCD	
CCC[C@H](O)CCNC(=O)NCc1ccc(N)cc1	1335736528	CFXONHZCVYGBRW-ZDUSSCGKSA-N	265.357	1.619	10	20	CDCD	
O=C1CCCN1Cc1nnc(Sc2nccs2)o1	1336768718	ZCOFMWSCRWAXSS-UHFFFAOYSA-N	282.350	1.800	10	20	CDCD	
OC[C@@H]1CN(Cc2ccc(N3CCCC3)cc2)C[C@@H]1CO	1336759324	WFQUTSORDXMKAT-IYBDPMFKSA-N	290.407	1.319	10	20	CDCD	
COC[C@@](C)(O)CN[C@@H](C)c1cc(C(=O)O)ccc1O	1606792363	OKBNBNRPJSMDPJ-XPTSAGLGSA-N	283.324	1.138	10	20	CDCD	
CC(C)N(C)CCCNC(=O)c1cccc(O)c1O	228736174	FELGVMWPLQESBF-UHFFFAOYSA-N	266.341	1.558	10	20	CDCD	
Nc1ccc(CC(=O)Nc2cccc3c2NC(=O)CO3)cc1	1580443093	QCOMTLFJOFKWRM-UHFFFAOYSA-N	297.314	1.781	10	20	CDCD	
C[S@@](=O)CCCNCc1ccc2c(c1)CCCO2	921751836	LCPFGIJSHPEYQG-GOSISDBHSA-N	267.394	1.870	10	20	CDCD	
C[C@@H](NCC[C@@H]1CCNC1=O)c1ccc(N(C)C)cc1	846860918	NIWJVNSJLJLBSA-TZMCWYRMSA-N	275.396	1.929	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CCCC(=O)O)cc1	37792149	NHHCSLCDCOUULO-UHFFFAOYSA-N	264.325	1.624	10	20	CDCD	
CCCN(C)S(=O)(=O)NCc1cc(OC)ccc1O	119838271	BZRWWVNOILHKHF-UHFFFAOYSA-N	288.369	1.077	10	20	CDCD	
Oc1ccc(F)cc1CN1CCC[C@H]1CN1CCOCC1	179950694	AAOIVTMISBZNLW-HNNXBMFYSA-N	294.370	1.828	10	20	CDCD	
COc1ccc(N(C)CC(=O)NCC2CC2)cc1F	177066597	YXQWGQTXBXRCDF-UHFFFAOYSA-N	266.316	1.797	10	20	CDCD	
Cc1ccc(NC=C2C(=O)N(C)C(=O)N(C)C2=O)c(F)c1	60862515	ZWAKWQJVCGHLIO-UHFFFAOYSA-N	291.282	1.480	10	20	CDCD	
O=C(O)/C=C/c1ccc(N2CCCOCC2)c([N+](=O)[O-])c1	61920571	JQGDCKAJRFGJKW-HWKANZROSA-N	292.291	1.919	10	20	CDCD	
CCCCN1CC(=O)N[C@H]1c1ccc(O)c(O)c1	77475010	BIRNKQXHOPYVGZ-CYBMUJFWSA-N	250.298	1.328	10	20	CDCD	
Oc1cc2c(cc1CN[C@H]1CC[C@H](O)CC1)OCO2	252703469	KAUAAXQCYFMVSW-XYPYZODXSA-N	265.309	1.514	10	20	CDCD	
O=C(N[C@@H]1CCC[C@@H]1CCO)c1cccc(O)c1O	280422240	ITFAAFQHQRBXIZ-MWLCHTKSSA-N	265.309	1.379	10	20	CDCD	
CC(C)CCC[C@@H](C)NC=C1C(=O)NC(=S)NC1=O	48392244	NDPZBESZWPNSDG-SECBINFHSA-N	283.397	1.206	10	20	CDCD	
CCOc1cccc(CNCC2(O)CCC2)c1O	134517189	WCSJSDYTEFATTI-UHFFFAOYSA-N	251.326	1.796	10	20	CDCD	
Cc1nc2ncnn2c(NCCc2ccc(O)c(O)c2)c1C	85689431	KBDRQJBGKHGONK-UHFFFAOYSA-N	299.334	1.807	10	20	CDCD	
C[C@@H]1CCNC(=O)[C@@H]1NCc1cccc(Cl)c1O	195008045	KZXROHMHBBWUGF-LDYMZIIASA-N	268.744	1.660	10	20	CDCD	
CC[C@@H](O)CN(CCOC)c1ccc(OC)c(OC)c1	131334947	IWMDBLBWRXUCGO-CYBMUJFWSA-N	283.368	1.928	10	20	CDCD	
O[C@]1(CNCc2ccc(N3CCCCC3)cc2)CCOC1	229638868	DSBMLSCGXXWGJH-KRWDZBQOSA-N	290.407	1.918	10	20	CDCD	
CCOc1cccc(CN2CCC[C@@H](C(=O)NC)C2)c1O	93360785	NLBNIVUYRJPOPM-CYBMUJFWSA-N	292.379	1.749	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)CNC)cc1F	236906288	FCJZCNUALXKBFC-UHFFFAOYSA-N	267.348	1.508	10	20	CDCD	
CCOCC(C)(C)CNC(=O)c1cccc(O)c1O	290622974	LDMNOTZXZBHQHY-UHFFFAOYSA-N	267.325	1.890	10	20	CDCD	
COCCN(CCOCCO)c1ccc(OC)c(OC)c1	266878822	VTYKUXTVCBMXJN-UHFFFAOYSA-N	299.367	1.166	10	20	CDCD	
CN(C[C@H]1CCCCO1)C(=O)c1c(F)ccc(O)c1O	276604463	OSLOYOHBEQNHMH-SECBINFHSA-N	283.299	1.878	10	20	CDCD	
COc1ccc(O)c(CN2CC[C@H]3CCN(C)C[C@H]32)c1	272587347	HHVLZHRCWVDHLO-IUODEOHRSA-N	276.380	1.927	10	20	CDCD	
CN(C)c1ccc(CNC2CCN(C=O)CC2)cc1	278157109	AXQYEDBHKXIIBY-UHFFFAOYSA-N	261.369	1.463	10	20	CDCD	
CN(C)CCN(C)Cc1cc(Cl)cc([N+](=O)[O-])c1O	289932369	WMTYJQYNNBBCPU-UHFFFAOYSA-N	287.747	1.947	10	20	CDCD	
CCN(CC)c1ccc(CN[C@@H](C)C(=O)NC)cc1F	291680350	HPMQVQTZMRCKQO-NSHDSACASA-N	281.375	1.896	10	20	CDCD	
Cn1ncc(CCCNCc2cc(F)ccc2O)n1	293513013	AIZLBALXCORMAS-UHFFFAOYSA-N	264.304	1.382	10	20	CDCD	
CC(F)(F)CNC(=O)/C=C/c1ccc(O)c(O)c1	818261577	SHRDYOPAOOGRQS-HWKANZROSA-N	257.236	1.882	10	20	CDCD	
O=C(O)[C@@H]1OCC[C@@H]1CNCc1cc(F)ccc1O	716289292	KKPMLEQYUSLVFP-PRHODGIISA-N	269.272	1.111	10	20	CDCD	
COc1cccc(CNC(=O)[C@](C)(O)C2CCC2)c1O	813488921	JEKRRTUMOWYFKL-OAHLLOKOSA-N	279.336	1.568	10	20	CDCD	
Cc1cnc2c(c1)N(C(=O)/C=C/c1cn(C)cn1)CCN2	827560307	PLPDLSLCBARGEJ-ONEGZZNKSA-N	283.335	1.595	10	20	CDCD	
C[C@H]1CN(C(=O)c2cc(O)cs2)C[C@H]1C(=O)O	828384582	ATYGXHYPNRWCSI-POYBYMJQSA-N	255.295	1.246	10	20	CDCD	
O=C(O)[C@H]1C[C@@H](O)CN1Cc1cc(Cl)ccc1O	1601773194	QENIDQOFZZPPMF-NXEZZACHSA-N	271.700	1.065	10	20	CDCD	
COc1cccc([C@@H](C)N[C@@H]2COCC[C@H]2OC)c1O	903297820	YGUHEDDQZQIDON-RAIGVLPGSA-N	281.352	1.855	10	20	CDCD	
COCCOCCC(=O)NCc1cc(OC)ccc1O	734015642	SGYLXFMMIKPNDL-UHFFFAOYSA-N	283.324	1.070	10	20	CDCD	
O=C(O)CSCCNC(=O)c1cc(O)cs1	739863098	VCQSIQWWTSDQEB-UHFFFAOYSA-N	261.324	1.001	10	20	CDCD	
C[C@@H]1CCCN1CCNC(=O)Cc1ccc(N)cc1	831971066	QLHKNKRSWXTALI-GFCCVEGCSA-N	261.369	1.412	10	20	CDCD	
COCC[C@]1(NC(=O)c2cc(O)cs2)CCOC1	834587857	KBRIWCUIQNOSGO-LBPRGKRZSA-N	271.338	1.379	10	20	CDCD	
CC(C)[C@H](NC(=O)O)C(=O)NCc1ccc(N(C)C)cc1	736370335	OFEVTURORWRLOB-ZDUSSCGKSA-N	293.367	1.661	10	20	CDCD	
CC(C)OCC(=O)NC[C@@H](N)c1ccc(N(C)C)cc1	832281191	STPQQYDEWSMDNP-CQSZACIVSA-N	279.384	1.294	10	20	CDCD	
CC(C)O[C@H]1C[C@@H](NC(=O)c2cccc(O)c2O)C1	837726775	SBDSRWZSZOCATF-AOOOYVTPSA-N	265.309	1.784	10	20	CDCD	
CC(C)NC(=O)[C@H](C)NC(=O)c1cc(O)cs1	839900477	MCJQTRJFCIRYRA-ZETCQYMHSA-N	256.327	1.097	10	20	CDCD	
CC(C)(C)SCCNC(=O)C(=O)Nc1ccc(N)cc1	841030430	LYGXBTSJWWPVML-UHFFFAOYSA-N	295.408	1.855	10	20	CDCD	
Nc1ccc(NC(=O)CC(=O)NCC(F)(F)F)cc1	843291801	BFSYIIVZXKMSFX-UHFFFAOYSA-N	275.230	1.276	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1CCCN1	841937470	SSHDMWVZDJJEPK-AWEZNQCLSA-N	290.411	1.646	10	20	CDCD	
COC(=O)N1CCN(Cc2ccc(N(C)C)cc2C)CC1	840911948	VKTSOGVTFSXZAI-UHFFFAOYSA-N	291.395	1.945	10	20	CDCD	
C[C@@H](NC(=O)C(=O)NCCc1ccc(N)cc1)C1CCC1	842139630	AFGIVXAVPURQPL-LLVKDONJSA-N	289.379	1.232	10	20	CDCD	
C[C@@H](NC(=O)NCCc1ccc(N)cc1)[C@H]1CCCOC1	841875086	QXZPHOFLCMBJRY-OCCSQVGLSA-N	291.395	1.926	10	20	CDCD	
Cn1nnc2c1CC[C@@H](NC(=O)Nc1ccc(N)cc1)C2	848595394	WEBITMUKBZFSLS-LLVKDONJSA-N	286.339	1.076	10	20	CDCD	
COc1cc(O)c(CN2CC[C@H](C)[C@H](CN)C2)cc1OC	841100855	MCUUIYIJNRTHFD-WCQYABFASA-N	294.395	1.826	10	20	CDCD	
Cc1cc(O)c(CN[C@@H](CO)[C@H]2CCCOC2)cc1C	840962613	LPJMVFLHHLYILZ-ZFWWWQNUSA-N	279.380	1.886	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1CC[C@H](C(=O)N(C)C)C1	840957176	HQJBCIYBZQQNQK-HNNXBMFYSA-N	289.423	1.971	10	20	CDCD	
Cc1ccc(C(=O)OCC(=O)N[C@H](C)C(C)C)c(O)c1O	750618360	GUIWVSKVLQKLFC-SNVBAGLBSA-N	295.335	1.724	10	20	CDCD	
CC(C)(C)N1C[C@H](NC(=O)c2cc(O)cs2)CC1=O	752816622	LPVIATXDEKANTH-MRVPVSSYSA-N	282.365	1.583	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NC(CF)CF)c1	858502166	ZLGPZMZIWROYMY-UHFFFAOYSA-N	258.268	1.807	10	20	CDCD	
CON(C)C(=O)[C@@H](C)N[C@H](C)c1ccc(F)cc1O	858586609	FYPZXPHDSVZKAG-RKDXNWHRSA-N	270.304	1.590	10	20	CDCD	
C[C@H]1CN(Cc2ccc(N(C)C)c(F)c2)CCN1	768140748	VLKMBSAPNXYRTN-NSHDSACASA-N	251.349	1.685	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNCCN1CC[C@H](O)C1	862552072	SKOMUARLIDMPEO-INIZCTEOSA-N	277.412	1.217	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@@H]2CCCN(C(N)=O)C2)c1	862760437	TXVHYGSWHZXUBA-LLVKDONJSA-N	291.351	1.108	10	20	CDCD	
COc1ccc(N2CCC(N[C@H]3CCN(C)C3)CC2)cc1	765637367	CNIYWWLZGTZXJW-HNNXBMFYSA-N	289.423	1.958	10	20	CDCD	
Cc1cccc(O)c1CN1C[C@H](N2CCOCC2)C[C@H]1C	877516018	ARWSHCVQAOHUAI-HUUCEWRRSA-N	290.407	1.996	10	20	CDCD	
C[C@@H]1CN(C(=O)/C=C\c2ccc(O)c(O)c2)CC[C@@H]1O	779267164	GGRAEGCGJOQVHF-FTXDBJGXSA-N	277.320	1.340	10	20	CDCD	
COCCO[C@@H]1COCC[C@H]1N[C@H](C)c1ccccc1O	776868587	IQXHETLBPIKTFF-XNRPHZJLSA-N	295.379	1.863	10	20	CDCD	
COC(=O)c1cc(S(=O)(=O)Nc2ccc(O)cc2)c[nH]1	776744549	LCFFRFKXEOOUAS-UHFFFAOYSA-N	296.304	1.308	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)NCCO[C@@H]1CCOC1	885725195	UFLWBZPTMLBIFH-DTRQGZQOSA-N	293.319	1.033	10	20	CDCD	
CC(C)N1CC[C@H](N(C)C(=O)NCc2ccc(N)cc2)C1	1120592357	VWHKQVHEWHGOKS-HNNXBMFYSA-N	290.411	1.893	10	20	CDCD	
CCONC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	894276142	OXSSMCZQSSQIAH-AWEZNQCLSA-N	294.399	1.606	10	20	CDCD	
COc1ccc(CN2CCN(C)[C@H](C)[C@@H]2C)c(O)c1OC	893668983	JGGHFSJALJQDCU-NEPJUHHUSA-N	294.395	1.934	10	20	CDCD	
COc1ccc(CN2CC[C@@H](NC(C)=O)C2)c(O)c1OC	894973800	YVLAAMCUTZHTCD-GFCCVEGCSA-N	294.351	1.120	10	20	CDCD	
COC(=O)[C@@](C)(CO)NCc1cc(C)c(C)cc1O	894975389	MHEAQIFXXFCWFF-CQSZACIVSA-N	267.325	1.023	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC[C@@H]2CCC(=O)N2)c1	79927551	OPVOCYVOVFJCHU-UWVGGRQHSA-N	264.325	1.330	10	20	CDCD	
O=C1CN(Cc2ccccc2)[C@@H](c2cc(O)ccc2O)N1	1318541693	PFBMNELCYBRBBQ-INIZCTEOSA-N	284.315	1.728	10	20	CDCD	
COC(=O)C[C@@H]1CN(Cc2ccc(N)cc2)CCO1	1336118391	YMJNLDZWLCBWHD-CYBMUJFWSA-N	264.325	1.033	10	20	CDCD	
CC(=O)N[C@@H](CCC(C)C)C(=O)NCc1ccc(N)cc1	1343566816	KVDNKBRZSSXFMT-HNNXBMFYSA-N	291.395	1.826	10	20	CDCD	
O=C(NCc1cccc(O)c1O)c1cnn2c1OCCC2	1352672799	YIBBEPHRWDWSMV-UHFFFAOYSA-N	289.291	1.007	10	20	CDCD	
C[C@@H]1C[C@@H](C(=O)NCc2cccc(O)c2O)CCO1	1350300201	NVKQOADMBYYVRS-ZJUUUORDSA-N	265.309	1.529	10	20	CDCD	
C[C@@H]1O[C@H](C)[C@H](C(=O)NCc2cccc(O)c2O)[C@H]1C	1520508645	IGDBAXDHJLRARS-QISWUMQESA-N	279.336	1.774	10	20	CDCD	
C[C@H](N[C@@H]1C[C@H]2CC[C@@H]1N2)c1cc(C(=O)O)ccc1O	1604357455	KQXCZEKGBNQZDC-YPWHJJHSSA-N	276.336	1.634	10	20	CDCD	
O=C(O)C1(CNCc2cc3c(cc2O)OCO3)CC1	1601707479	JDTJKUYYBJUPNJ-UHFFFAOYSA-N	265.265	1.075	10	20	CDCD	
C[C@@]1(C(=O)O)CCCN(Cc2cc3c(cc2O)OCO3)C1	1604496075	DONRPYBHFZDIKG-OAHLLOKOSA-N	293.319	1.808	10	20	CDCD	
COc1cccc(CNC(=O)[C@@H]2CC[C@H]2C(=O)O)c1O	1604866570	DYLFGOXUKUIBTA-NXEZZACHSA-N	279.292	1.128	10	20	CDCD	
O=C(O)C[C@H](NC(=O)Cc1ccc(O)c(O)c1)C1CC1	1601900705	PPFKVDJAXAHRAI-JTQLQIEISA-N	279.292	1.010	10	20	CDCD	
Nc1cccc(C(=O)NCc2ccc(O)cc2O)n1	1580455117	BQHDFVXYYWWXSE-UHFFFAOYSA-N	259.265	1.005	10	20	CDCD	
Cc1[nH]c(-c2nn[nH]n2)cc1C(=O)NCc1ccccc1O	1591782704	JFFZCDBCLAEBGJ-UHFFFAOYSA-N	298.306	1.139	10	20	CDCD	
C[C@@H]1CCN2[C@@H](C1)C(=O)N[C@H]2c1cc(C(=O)O)ccc1O	1594439951	YXWJQOMHTWPZTR-YDEJPDAXSA-N	290.319	1.319	10	20	CDCD	
CO[C@H](C)CN[C@H](C)c1cc(C(=O)O)ccc1O	1599325398	YBCVRIBCIZRDIP-RKDXNWHRSA-N	253.298	1.776	10	20	CDCD	
Oc1cccc2c1CN(c1ccnc(-c3nn[nH]n3)c1)C2	1593539705	DKFOROLKWITKBN-UHFFFAOYSA-N	280.291	1.488	10	20	CDCD	
CN(Cc1cc(F)ccc1O)C[C@@H]1COCCO1	827139979	FQWLBTDHQSRGLN-GFCCVEGCSA-N	255.289	1.379	10	20	CDCD	
CC(C)(C)[C@H](CO)NC(=O)Nc1ccc(N)cc1	841297562	FWQRSDLOCDWTOC-NSHDSACASA-N	251.330	1.797	10	20	CDCD	
CCc1cccc(CN2CCN3C(=O)OC[C@H]3C2)c1O	848888556	WRBPFBMZPCRJCY-CYBMUJFWSA-N	276.336	1.591	10	20	CDCD	
C[C@@H]1CN(CCN(C)Cc2ccccc2O)C[C@@H](C)O1	851840403	FWYHVWUYZWIVFR-ZIAGYGMSSA-N	278.396	1.933	10	20	CDCD	
Cc1ccc(CNCC2(S(C)(=O)=O)CCC2)c(O)c1	877489168	RJZYHKOQNCHJND-UHFFFAOYSA-N	283.393	1.758	10	20	CDCD	
C[C@H](CN1CCCC1=O)NCc1ccc2c(c1)CCO2	37782716	KLCVPDAMZUTYBS-GFCCVEGCSA-N	274.364	1.722	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C1(N)CCCC1	37801189	ABYVDUCWXLFVBK-UHFFFAOYSA-N	275.396	1.983	10	20	CDCD	
Nc1ccc(CC(=O)NCC2(C(=O)O)CCCC2)cc1	165389200	NBLXUEGATCZJLU-UHFFFAOYSA-N	276.336	1.573	10	20	CDCD	
Cc1nn(C)c(C)c1C(=O)NCCc1ccc(N)cc1	40675661	OWFVKIDKZVEAKA-UHFFFAOYSA-N	272.352	1.592	10	20	CDCD	
CCCNC(=O)CCNCc1ccc2c(c1)CCO2	44351305	YVJDIYPFJPPNRX-UHFFFAOYSA-N	262.353	1.627	10	20	CDCD	
Cc1ccc(O)c(CN2CCC[C@H](CS(C)(=O)=O)C2)c1	293980222	RGDKJTDCMFIMTB-ZDUSSCGKSA-N	297.420	1.957	10	20	CDCD	
CCOc1cccc(CNCCCn2cncn2)c1O	381752619	FCNIMPAAKFEMGH-UHFFFAOYSA-N	276.340	1.562	10	20	CDCD	
C[C@@H](NC(=O)C1CCS(=O)(=O)CC1)c1ccccc1O	1119049581	QQUHHCCASHNHTE-SNVBAGLBSA-N	297.376	1.394	10	20	CDCD	
COC(=O)CCN(Cc1ccccc1O)C1CCOCC1	179581274	LHYKBCLIWQACBO-UHFFFAOYSA-N	293.363	1.936	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NCCn2ccnc2)cc1	30989582	JQBTWXNNDDWSQK-UHFFFAOYSA-N	287.367	1.449	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@@H](O)c2ccccc2)c1	122634911	CHISXPUAZKUWAY-HNNXBMFYSA-N	287.315	1.751	10	20	CDCD	
OC[C@@H]1CCN(Cc2cc(Br)ccc2O)C1	92762984	MKGWPYADKCYJRI-SECBINFHSA-N	286.169	1.969	10	20	CDCD	
COc1ccc(O)c(CN2CC[C@H](CS(C)(=O)=O)C2)c1	292701092	CHWIMPOIRNRVCS-NSHDSACASA-N	299.392	1.267	10	20	CDCD	
C[C@H](NC1CC1)C(=O)NCc1ccc(N(C)C)cc1	294852774	VCNRILGFLZNNSR-NSHDSACASA-N	261.369	1.509	10	20	CDCD	
COc1cc(Cl)cc(CN2C[C@@H]3[C@@H](CO)[C@@H]3C2)c1O	367785573	XHIVLFKTEAQYKP-GDNZZTSVSA-N	283.755	1.724	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2CC[C@H]([C@H](C)O)C2)c1O	278493252	LVJXPPUCEBUEJT-UWVGGRQHSA-N	296.323	1.512	10	20	CDCD	
CCCOC(=O)CCNC(=O)/C=C/c1ccc(O)c(O)c1	272425045	KRTAJRGJLCIJCX-GQCTYLIASA-N	293.319	1.571	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H](C(C)C)C(C)(C)O)c(O)c1O	276804799	SRPDTWDSMCFFRP-ZDUSSCGKSA-N	281.352	1.932	10	20	CDCD	
C[C@@H](CCO)CNC(=O)/C=C/c1ccc(O)c(O)c1	272381805	FRQSNAGBCXNLTQ-GFAPAMAISA-N	265.309	1.246	10	20	CDCD	
COC(=O)[C@@]1(NCc2ccc(N(C)C)cc2)CCOC1	278898501	RHPAMHRMTJRFEM-OAHLLOKOSA-N	278.352	1.174	10	20	CDCD	
C[C@H](N[C@H]1CC(=O)N(C)C1)c1cc(Cl)ccc1O	273577846	MBBUUYQKYLQZNM-WPRPVWTQSA-N	268.744	1.927	10	20	CDCD	
CCCOc1ccc(CN[C@H](C)C(=O)NCCF)c(O)c1	282568708	FGOOGCAWRCYXRJ-LLVKDONJSA-N	298.358	1.745	10	20	CDCD	
CC(C)[C@@H](O)C(=O)NCc1ccc2c(c1)CCCN2C	285288206	SSRXFVXTPSJCAF-OAHLLOKOSA-N	276.380	1.702	10	20	CDCD	
COc1cc(O)c(CN(C)C[C@H](C)OC)cc1OC	284977029	BOGQWIRGDJAMSB-JTQLQIEISA-N	269.341	1.876	10	20	CDCD	
CCOC(=O)[C@@H](C)CNC(=O)c1c(F)ccc(O)c1O	295066027	HLTIOOHDFHJSIT-ZETCQYMHSA-N	285.271	1.166	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2CCC[C@@H](O)CC2)c1O	294188931	XGHRHCHPRASTCX-LLVKDONJSA-N	296.323	1.656	10	20	CDCD	
COC[C@@H](C)[C@H](C)C(=O)OCC(=O)c1ccc(O)c(O)c1	812627223	RUJSIWKLNLKSLC-ZJUUUORDSA-N	296.319	1.742	10	20	CDCD	
O=C(O)[C@H]1CN(Cc2cccc(Cl)c2O)CCO1	821512424	ICFZGKCQQQZAHR-SNVBAGLBSA-N	271.700	1.331	10	20	CDCD	
CN1CCCc2cc(CNC(=O)C[C@@H](N)C3CC3)ccc21	827913621	DUTLTWWUTFEVEW-OAHLLOKOSA-N	287.407	1.813	10	20	CDCD	
COC(=O)[C@H]1C[C@H](NC(=O)N(C)Cc2ccccc2O)C1	824177793	UDZUQIQZSXHQPT-HAQNSBGRSA-N	292.335	1.485	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2cncs2)c1	734015094	ZBFUYDLIFKXYMO-UHFFFAOYSA-N	264.306	1.787	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN(C)[C@H](C)C(=O)O	901980431	UPBZJHQIJARNQR-LLVKDONJSA-N	250.342	1.966	10	20	CDCD	
O=C(NC1CCC2(CC1)OCCO2)c1cc(O)cs1	732272459	GSSOGADTJQJKJD-UHFFFAOYSA-N	283.349	1.869	10	20	CDCD	
O=C(O)[C@H](O)C1CCN(Cc2ccccc2O)CC1	833771060	ULAOESQHXRIJSV-CYBMUJFWSA-N	265.309	1.050	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCC(n2cnnc2O)CC1	834803810	CMWXBWHUJORPQY-UHFFFAOYSA-N	294.336	1.228	10	20	CDCD	
COc1ccc(CNC(=O)CC2(O)CCC2)c(O)c1	831032681	HUYIJZBAMLTQGC-UHFFFAOYSA-N	265.309	1.322	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)c1ccc(C(=O)O)cn1	830860205	OISCEZXPSYFKDP-UHFFFAOYSA-N	286.287	1.758	10	20	CDCD	
O=C(/C=C\[C@@H]1CCOC1)OCC(=O)c1ccc(O)c(O)c1	838049425	MQQCPCDJEUGPMT-GAGJOLBNSA-N	292.287	1.416	10	20	CDCD	
C[C@@H]1C[C@H](C(=O)NCCc2ccc(N)cc2)CCN1	911782440	JFEZEAQPYCYTOO-DGCLKSJQSA-N	261.369	1.316	10	20	CDCD	
CCOc1ccc(CN[C@H]2CCN(CCOC)C2)c(O)c1	730817105	HJQYOCSGXVFUNW-AWEZNQCLSA-N	294.395	1.601	10	20	CDCD	
Nc1ccc(CCNC(=O)[C@H]2CNCc3ccccc32)cc1	832659195	SCEXNMRIOWILEW-KRWDZBQOSA-N	295.386	1.815	10	20	CDCD	
COc1ccc(O)c(CNC(=O)CCCCC(=O)O)c1	911387169	MRCTZWTTWGVEIF-UHFFFAOYSA-N	281.308	1.662	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@@H]1CCc2ncncc2C1	843819995	IJEUQKDTEFADGX-GFCCVEGCSA-N	297.358	1.946	10	20	CDCD	
CSC(C)(C)C(=O)NCc1ccc(O)cc1O	910942645	GXIKJOXOHJXZEM-UHFFFAOYSA-N	255.339	1.856	10	20	CDCD	
COc1cccc(CN[C@H]2CCC[C@H](N)C2)c1O	841055297	MWZNBNXATDXCHV-RYUDHWBXSA-N	250.342	1.760	10	20	CDCD	
CO[C@H](c1cnn(C)c1)c1nc(Cc2ccc(N)cc2)no1	843161389	SVDWXVASRGBULF-CQSZACIVSA-N	299.334	1.712	10	20	CDCD	
C[C@@H]1CNCCN1Cc1ccc(N2CCN(C)CC2)cc1	843047444	MBMZVHBPVDNSII-OAHLLOKOSA-N	288.439	1.232	10	20	CDCD	
CN(C)c1ccc([C@@H](N)CNC(=O)CCCCCN)cc1	841846522	PFLYSMMXXMIAAE-HNNXBMFYSA-N	292.427	1.388	10	20	CDCD	
COc1cccc([C@@H](C)N[C@@H](CO)c2cnn(C)c2)c1O	846158246	VOIJFQFCQFHFTB-MFKMUULPSA-N	291.351	1.519	10	20	CDCD	
CC(C)NC(=O)[C@@H](C)NC(=O)/C=C\c1ccc(O)c(O)c1	840546178	DCYSNUSZGKFQHD-ONRRBMGISA-N	292.335	1.140	10	20	CDCD	
COCCNC(=N)NCc1ccc(N(C)C)cc1C	849009314	ULXUYYHVGFZOEQ-UHFFFAOYSA-N	264.373	1.321	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)c1ccc2nc[nH]c2n1	755527694	AQCYPAGBHVICPG-UHFFFAOYSA-N	284.275	1.299	10	20	CDCD	
C[C@H]1CN(CCN[C@@H](C)c2cc(F)ccc2O)CCO1	756546936	WARSBLHZHJCXGI-RYUDHWBXSA-N	282.359	1.903	10	20	CDCD	
COc1cc(CN2[C@H]3CC[C@H]2CC(=O)NC3)c(O)cc1C	768463007	DTNXPGJOPFPDBE-STQMWFEESA-N	290.363	1.562	10	20	CDCD	
CCOC(=O)c1cc(CNCc2ccccc2O)on1	865764610	HXEITOLNZFPMGP-UHFFFAOYSA-N	276.292	1.847	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1C(=O)[C@H](C)N(C)C1=O	761357077	PHWVHKUKQHSDRI-NSHDSACASA-N	275.352	1.844	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)C(OC)OC)cc1F	874448347	RXRFZLREMYGPDV-UHFFFAOYSA-N	298.358	1.907	10	20	CDCD	
Nc1ccc(CN2CCC(N3CCOC3=O)CC2)cc1	1356083535	RMDQJHKPSRLCRU-UHFFFAOYSA-N	275.352	1.685	10	20	CDCD	
CN(C)C(=O)O[C@@H]1CCCN(C(=O)c2cc(O)cs2)C1	1118705653	WEHVQNLGXRIJQB-SNVBAGLBSA-N	298.364	1.757	10	20	CDCD	
Cc1ccc(CN2CCC[C@@H]2C(=O)NC2CC2)c(O)c1	876596902	VITNDULLIPFFAH-CQSZACIVSA-N	274.364	1.944	10	20	CDCD	
CNS(=O)(=O)C[C@H]1CCCN1Cc1ccc(C)cc1O	876789656	FQIYPRRSIAZDSY-CYBMUJFWSA-N	298.408	1.214	10	20	CDCD	
COCCO[C@H]1COCC[C@@H]1NCc1ccc(C)cc1O	877424334	JAWMVDVEXPXNBG-HOCLYGCPSA-N	295.379	1.611	10	20	CDCD	
CCCOc1ccc(CNC2(C(N)=O)CC2)cc1C	877323486	PTIISMHAVKRWHO-UHFFFAOYSA-N	262.353	1.891	10	20	CDCD	
CCS(=O)(=O)CCCN[C@H](C)c1ccccc1O	775131854	XJKGOHFJMJTKDM-LLVKDONJSA-N	271.382	1.868	10	20	CDCD	
CC(C)OC(=O)CNC(=O)/C=C/c1ccc(O)c(O)c1	779484493	RRQKKLVZUVKBKI-GQCTYLIASA-N	279.292	1.179	10	20	CDCD	
C[C@H]1CN(CCN[C@@H](C)c2ccccc2O)CCO1	783507667	DJLPPFWOJDRNIF-STQMWFEESA-N	264.369	1.764	10	20	CDCD	
COCCOC[C@H](C)NCc1ccc(OC)c(OC)c1O	893078689	FICSWXMDLVRVMS-NSHDSACASA-N	299.367	1.551	10	20	CDCD	
COc1ccc(CN[C@H](C)c2n[nH]c(C)n2)c(O)c1OC	894466822	FDKQLFXTIOTMCW-MRVPVSSYSA-N	292.339	1.687	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)CC1OCCCO1	793513057	PPOWBOKOKSBQCL-UHFFFAOYSA-N	292.379	1.830	10	20	CDCD	
C[C@H]1CN(C2CC2)C[C@H]1NC(=O)NCc1ccc(N)cc1	1335490570	HUSUNZRFIGSOHT-XHDPSFHLSA-N	288.395	1.551	10	20	CDCD	
CC(C)N[C@@H]1CCCN(C(=O)NCc2ccc(N)cc2)C1	1262603195	AHHCQYADLSPKLU-OAHLLOKOSA-N	290.411	1.941	10	20	CDCD	
CCn1c([C@H](C)O)nnc1N(C)Cc1ccccc1O	1356489827	LEFSHGYIQFBKGX-JTQLQIEISA-N	276.340	1.693	10	20	CDCD	
CN(C(=O)c1cc(O)cs1)[C@@H](COC1CCC1)C(=O)O	1605980325	UQBFUOPXKFMWIV-JTQLQIEISA-N	299.348	1.548	10	20	CDCD	
CC(C)[C@@H](C(=O)O)C(=O)N1Cc2cccc(O)c2C1	1602964591	GKWBIEUUIOSTIE-GFCCVEGCSA-N	263.293	1.591	10	20	CDCD	
CO[C@@H]1CCCC[C@@H]1C(=O)NCc1cccc(O)c1O	1548791530	LYKMVEUPOREWLK-WCQYABFASA-N	279.336	1.919	10	20	CDCD	
CC(C)(CCNCc1cc([N+](=O)[O-])ccc1O)C(=O)O	1588777651	LESNGWQWQCINAS-UHFFFAOYSA-N	282.296	1.891	10	20	CDCD	
O=C(O)C[C@H]1CCCN(C(=O)c2c(F)ccc(O)c2O)C1	1594990481	FHSXCJMSTFOHSC-MRVPVSSYSA-N	297.282	1.564	10	20	CDCD	
C[C@H](O)CCN(CC(=O)O)Cc1cc(Cl)ccc1O	1593446668	MOQPDOLOHBDLDZ-VIFPVBQESA-N	287.743	1.703	10	20	CDCD	
CN1CCN(Cc2cc(Cl)ccc2O)C[C@H](C(=O)O)C1	1598619098	GXMIOCUJQZLYMM-LLVKDONJSA-N	298.770	1.494	10	20	CDCD	
CCN(C)c1ccc(CN2C[C@@H](O)C[C@@H]2C(=O)O)cc1	1596194355	KCIXXQRNSOWTPB-UONOGXRCSA-N	278.352	1.163	10	20	CDCD	
CCN1CCc2cc(CN[C@H](CSC)C(=O)O)ccc21	1776877016	FLQWHQYSCIQSSI-CYBMUJFWSA-N	294.420	1.975	10	20	CDCD	
CC[C@H](NCCS(=O)(=O)CC)c1ccccc1O	155606202	XQUBVBUUBWUDPD-LBPRGKRZSA-N	271.382	1.868	10	20	CDCD	
COc1ccc(CNC[C@@H]2CCCNC2=O)cc1C	839195621	LVLGOTSTMZFZDY-ZDUSSCGKSA-N	262.353	1.619	10	20	CDCD	
COc1cccc(O)c1CN1CCO[C@@H](CF)C1	840954857	MMDKSLMERRPNER-JTQLQIEISA-N	255.289	1.571	10	20	CDCD	
Cc1cccc(O)c1CNC1CCN(S(C)(=O)=O)CC1	876922327	WCQVEGDKADEPIW-UHFFFAOYSA-N	298.408	1.214	10	20	CDCD	
Cc1ccc(CN[C@@H]2CCCS(=O)(=O)C2)c(O)c1	877056705	NIJXITUCEXMFEU-GFCCVEGCSA-N	269.366	1.367	10	20	CDCD	
Cc1cccc(O)c1CN(C)C[C@@H]1COCCO1	877628382	HIZJTLFHLLNFMM-GFCCVEGCSA-N	251.326	1.548	10	20	CDCD	
CCN(CC)CCCNCc1cc2c(cc1O)OCO2	42879257	KNZANSVVDWIJAP-UHFFFAOYSA-N	280.368	1.942	10	20	CDCD	
CC[C@@H]1CO[C@H](C)CN1C(=O)Cc1ccc(N)cc1	36794526	KHLZQPBUQHUNJP-BXUZGUMPSA-N	262.353	1.837	10	20	CDCD	
CN(Cc1ccccc1O)S(=O)(=O)c1cccc(N)c1	40335329	HEKUIOKBUNUKDY-UHFFFAOYSA-N	292.360	1.795	10	20	CDCD	
COc1cccc(CN2CCOC[C@H](C)C2)c1O	370051017	BDEJJYYALXPOTO-LLVKDONJSA-N	251.326	1.869	10	20	CDCD	
COC(=O)N(C)CCCC(=O)N(C)Cc1ccccc1O	104853234	IZOJCOZMXVDRAJ-UHFFFAOYSA-N	294.351	1.829	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CCC(=O)NC1	115281016	SGACCSDMASQGTN-ZDUSSCGKSA-N	289.379	1.203	10	20	CDCD	
Oc1ccccc1CN1CCN(CC2CCOCC2)CC1	179574551	GWNCAKZVQBJWDN-UHFFFAOYSA-N	290.407	1.936	10	20	CDCD	
CC1(O)CCN(Cc2ccc(N3CCOCC3)cc2)CC1	179724033	CFVBJZBVHJEEBF-UHFFFAOYSA-N	290.407	1.870	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)CON)cc1	1340171637	FESQDEZOHIKPQR-UHFFFAOYSA-N	251.330	1.039	10	20	CDCD	
CC[C@@H](C)OCC(=O)NCCc1ccc(O)c(O)c1	122440765	QHTAKQKAQKOWAI-SNVBAGLBSA-N	267.325	1.572	10	20	CDCD	
COC(=O)COc1ccc(N(C)CC(=O)NC(C)C)cc1	183808270	NFQCCVRCSYPYTR-UHFFFAOYSA-N	294.351	1.199	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NCc1cccnc1	180584527	WJPUJVOSSXBEPP-GQCTYLIASA-N	270.288	1.822	10	20	CDCD	
Cc1ccc(O)c([C@H](C)NC[C@@]2(O)CCOC2)c1	186177617	ZFWRFAQUJIQDOK-FZMZJTMJSA-N	251.326	1.503	10	20	CDCD	
CC[C@@H]1COCCN1C(=O)c1ccc(C)c(O)c1O	182456710	VSYKMTFPPSWCSX-SNVBAGLBSA-N	265.309	1.657	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cscn1	183468576	XLHASAIXUSBERG-QMMMGPOBSA-N	278.333	1.915	10	20	CDCD	
C[C@@]1(C(=O)O)CCN(C(=O)c2cccc(O)c2O)C1	126024240	VHISFMDZOYHFDL-CYBMUJFWSA-N	265.265	1.035	10	20	CDCD	
Cc1noc(C)c1CCNC(=O)c1cccc(O)c1O	188440542	WRRXHLACQPYRHR-UHFFFAOYSA-N	276.292	1.675	10	20	CDCD	
O=C(NCCc1nc2ccccc2[nH]1)c1cccc(O)c1O	184774517	YFENWUOHTNFHAK-UHFFFAOYSA-N	297.314	1.947	10	20	CDCD	
CCOc1cccc(CN(CC(=O)O)C2CC2)c1O	86751976	RVFVDXJRYSJJGI-UHFFFAOYSA-N	265.309	1.840	10	20	CDCD	
CC[C@H](C(=O)O)N1CCN(c2ccc(OC)c(F)c2)CC1	191438833	KCVOHVASBABNJG-CYBMUJFWSA-N	296.342	1.820	10	20	CDCD	
CCOc1cccc(CN(C)CCN2CCOCC2)c1O	92974776	UYSMYYYYENFZDW-UHFFFAOYSA-N	294.395	1.555	10	20	CDCD	
Cc1cc(C)c([C@@H](C)NC[C@H]2COCCN2)c(O)c1	530227345	SJNCFQKQEUBDPI-OLZOCXBDSA-N	264.369	1.648	10	20	CDCD	
C[C@H]1CN(c2ccc(CNC(=O)CO)cc2F)C[C@H](C)O1	270748516	HZMFJLDGAWHWLX-QWRGUYRKSA-N	296.342	1.048	10	20	CDCD	
COc1ccc(O)c(CN2CC[C@H](C)[S@@](=O)CC2)c1	277306809	BDFDKWJKKONMLI-WLRWDXFRSA-N	283.393	1.744	10	20	CDCD	
C[C@@H](CO)CCCNC(=O)N(C)Cc1ccccc1O	270513278	LSULUQGWEOBDFF-GFCCVEGCSA-N	280.368	1.942	10	20	CDCD	
COC1(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)CCC1	274893197	DIIOAFDVBAWVGP-JTQLQIEISA-N	279.336	1.714	10	20	CDCD	
CC[C@H](O)CCN[C@H](C)c1cc(C(=O)OC)ccc1O	273590541	PCCNTBPVNIQQIV-PWSUYJOCSA-N	281.352	1.990	10	20	CDCD	
C[C@H](NCc1ccc(N(C)C)c(F)c1)C(=O)N1CCCC1	281234762	DZKBCTRZVATOFG-LBPRGKRZSA-N	293.386	1.992	10	20	CDCD	
CN(C)c1ccc(CNC(=O)C[C@H]2CCCC(=O)N2)cc1	289592552	JPDCPRPNPKDLAY-CYBMUJFWSA-N	289.379	1.428	10	20	CDCD	
Cc1nc2n(n1)CCN(Cc1ccc(N(C)C)c(C)c1)C2	292756957	INJGJEBHRFXPBV-UHFFFAOYSA-N	285.395	1.977	10	20	CDCD	
CN1CCN(CCCN[C@@H]2CCc3cccc(O)c32)CC1	295892061	IGJWOFQKWLIATJ-OAHLLOKOSA-N	289.423	1.607	10	20	CDCD	
CO[C@H]1COC[C@@H]1N[C@H](C)c1ccc(N(C)C)cc1	290291270	YAGWUWOGRSEZBI-UGFHNGPFSA-N	264.369	1.817	10	20	CDCD	
C[C@@H](NC[C@H](N)c1ccc(N(C)C)cc1)c1ccnn1C	817944255	YNQMTKDYVOHDKG-DOMZBBRYSA-N	287.411	1.837	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccnc1F	813513413	MNKDHXHMDHVYAI-SECBINFHSA-N	290.294	1.993	10	20	CDCD	
C[C@H](O)CCN(C)c1ccc(/C=C/C(=O)O)cc1[N+](=O)[O-]	827795902	FYQDNPGTFMRHHY-RWCYGVJQSA-N	294.307	1.900	10	20	CDCD	
COC(=O)c1cnc(S[C@H](C)C(=O)OC)s1	829680802	FGVDNVGEDMRFQM-RXMQYKEDSA-N	261.324	1.583	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)CC(=O)OC)cc1	906279316	BCRDYSSUHDVYMW-UHFFFAOYSA-N	278.352	1.712	10	20	CDCD	
C[C@H](CN(Cc1cc2c(cc1O)OCO2)C1CC1)C(=O)O	736583250	LZTYXKXNAPSREL-SECBINFHSA-N	293.319	1.806	10	20	CDCD	
CO[C@@H]1C[C@H](NC(=O)c2c(F)ccc(O)c2O)C12CCC2	839800583	WTIZMFWKQCQXKK-WDEREUQCSA-N	295.310	1.924	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N[C@@]2(C)CCNC2)cc1	831002655	NAFABULTKVAYPT-HNNXBMFYSA-N	276.384	1.304	10	20	CDCD	
C[C@@H](Cc1cnn(C)c1)NC(=O)c1cc(O)cs1	839787283	WLRPRDAVCYRWAV-QMMMGPOBSA-N	265.338	1.548	10	20	CDCD	
COc1ccc(CNC(=O)NCCCNC2CC2)c(O)c1	841918690	ULILOPVQZHVNMH-UHFFFAOYSA-N	293.367	1.342	10	20	CDCD	
C[C@H](NC[C@]1(O)CCOC1)c1ccc(Cl)cc1O	841751521	NLOVPJVGZBKWMD-TVQRCGJNSA-N	271.744	1.848	10	20	CDCD	
COc1ccc(O)c(CNCC2(N)CCCC2)c1	849350255	VROFPZCSKBAHIA-UHFFFAOYSA-N	250.342	1.762	10	20	CDCD	
CN(CC(C)(C)CN)C(=O)NCCc1ccc(N)cc1	841955534	FZXXRJMHNYUACU-UHFFFAOYSA-N	278.400	1.438	10	20	CDCD	
O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1[C@H]2CNC[C@H]21	844173314	UCZXDSCMKVRWMK-ZSHCYNCHSA-N	285.391	1.368	10	20	CDCD	
CCc1cccc(CNC[C@H]2CN3CCC[C@@H]3CO2)c1O	848896117	SIQGEWAQJVAMSK-CVEARBPZSA-N	290.407	1.907	10	20	CDCD	
CCOc1ccc(O)c(CNC[C@H]2CC(=O)N(CC)C2)c1	846094904	VAOLRIDMYVCTAI-GFCCVEGCSA-N	292.379	1.749	10	20	CDCD	
C[C@@H](C(=O)NCc1ccc(N(C)C)c(F)c1)N(C)C	750018377	VYISTAVCJJRKKW-JTQLQIEISA-N	267.348	1.458	10	20	CDCD	
CN(Cc1cnc[nH]1)C(=O)NCCc1ccc(N)cc1	851662759	IINDSOKZTAEGPP-UHFFFAOYSA-N	273.340	1.376	10	20	CDCD	
C[C@@H]1COC[C@H]1NC(=O)N[C@H](C)c1ccccc1O	926031871	MOFNRYLBOUSJQF-CKYFFXLPSA-N	264.325	1.787	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H]2COCO2)c1	923856523	PWMXFARDRNYBBI-KOLCDFICSA-N	296.323	1.134	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@]1(C)CCNC1=O	935945364	UZROXBRXQCADLP-OAHLLOKOSA-N	297.351	1.020	10	20	CDCD	
COc1cccc(O)c1CN1CCC[C@@H]1C(=O)NC1CC1	768520387	LGFGIOLRDHAZIR-CYBMUJFWSA-N	290.363	1.644	10	20	CDCD	
C[C@@H](NC(=O)NC[C@H]1CCCNC1=O)c1ccccc1O	868700240	OVJXFRILTQUXAW-GHMZBOCLSA-N	291.351	1.279	10	20	CDCD	
COc1ccc(O)c(CN[C@H]2CCCC[C@@H]2O)c1	51994805	OFUUQZOZBPWCMX-JSGCOSHPSA-N	251.326	1.794	10	20	CDCD	
C[C@H]1CN(C(=O)c2cc(O)cs2)[C@@H](C)CN1C	768845959	LEUBKIZYJSGQEV-IUCAKERBSA-N	254.355	1.618	10	20	CDCD	
Cc1cccc(O)c1CN1CCC[C@H](OCCO)C1	876720612	HWDBFIGOKDMCBQ-ZDUSSCGKSA-N	265.353	1.674	10	20	CDCD	
CC(C)NC(=O)NC(=O)[C@H](C)N[C@H](C)c1ccccc1O	879649139	MQRAZPDJYSIMMS-MNOVXSKESA-N	293.367	1.666	10	20	CDCD	
CO[C@@H]1CCC[C@@H]1CNC(=O)c1cc(O)cs1	775617846	LQSKXTWIJIPKGT-PSASIEDQSA-N	255.339	1.999	10	20	CDCD	
COc1ccc(N(CC(=O)O)CC(=O)N(C)C(C)C)cc1	872887505	VRBZMHHQYRHOKW-UHFFFAOYSA-N	294.351	1.453	10	20	CDCD	
CN[C@@H](C)c1cn(Cc2cc(F)cc(C(C)=O)c2O)nn1	880995576	BRLYAUVXYUJFGU-QMMMGPOBSA-N	292.314	1.654	10	20	CDCD	
C[C@H](NCc1cnnn1C)c1c(O)cccc1F	886610772	JMANUBDZGROUEN-QMMMGPOBSA-N	250.277	1.511	10	20	CDCD	
CC[C@@](C)(CO)NC(=O)/C=C/c1ccc(O)c(O)c1	782027270	WPXAIHMZUDSLQL-DYLGSBMWSA-N	265.309	1.388	10	20	CDCD	
CC[C@@H](O)CN1CCCN(c2ccc(OC)cc2)CC1	75643574	ULAHGWGNDZWANO-OAHLLOKOSA-N	278.396	1.978	10	20	CDCD	
COc1cc(O)c(CN[C@H]2C(=O)NCC2(C)C)cc1OC	895315631	IBEKHPBGHZSGQJ-ZDUSSCGKSA-N	294.351	1.024	10	20	CDCD	
COc1cc(C)cc(CN[C@H](C)c2ncn(C)n2)c1O	894530901	PKIZLQJMWSYVRE-SNVBAGLBSA-N	276.340	1.689	10	20	CDCD	
C[C@@H]1C[C@H](NC(=O)N[C@H](C)c2ccccc2O)CCN1	892097857	SRTNHQPRVBWKAO-IJLUTSLNSA-N	277.368	1.893	10	20	CDCD	
C[C@H]1CN(C)C(=O)CN1Cc1c(O)ccc(Cl)c1F	792179691	KPRVKBVNRCQPKY-QMMMGPOBSA-N	286.734	1.847	10	20	CDCD	
CC(C)[C@@H](CNC(=O)Cc1ccc(N)cc1)C(=O)O	87512955	UJDQXFKBMPOULY-GFCCVEGCSA-N	264.325	1.284	10	20	CDCD	
COC[C@@H]1CN(Cc2cc(Cl)ccc2O)CCO1	93528635	SHTVEFLQYSCSNI-LBPRGKRZSA-N	271.744	1.893	10	20	CDCD	
CN(C)[C@@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)C1CC1	1323566169	GGKWLQBEYMASSI-GBVBUYCNSA-N	290.363	1.567	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)CO[C@H]2CCOC2)c1	1253770052	RJBYCXMCNPAWGO-JQWIXIFHSA-N	295.335	1.384	10	20	CDCD	
Cn1nc(CNC(=O)Cc2ccc(N)cc2)cc1C1CC1	1342723606	XMIFMIKFBADNIF-UHFFFAOYSA-N	284.363	1.739	10	20	CDCD	
COC(=O)C[C@H]1CSCCN1Cc1ccc(N)cc1	1345159136	CDTJLHVWWARZEL-ZDUSSCGKSA-N	280.393	1.749	10	20	CDCD	
CCOC1CC(C(=O)NCc2cccc(O)c2O)C1	1520508540	FJUMQWHOZUNUNN-UHFFFAOYSA-N	265.309	1.529	10	20	CDCD	
CCN(CCNCc1cc(OC)ccc1O)C1CC1	224577308	HNQAFGGEDCGTKW-UHFFFAOYSA-N	264.369	1.975	10	20	CDCD	
CCN(CCC(=O)O)Cc1ccc([N+](=O)[O-])c(OC)c1O	1605443257	ZVPSFSNOEDICDR-UHFFFAOYSA-N	298.295	1.606	10	20	CDCD	
COC[C@@]1(C(=O)O)CCCN1Cc1cc(OC)ccc1O	1606833862	WGMDMCYRFJDWTE-OAHLLOKOSA-N	295.335	1.466	10	20	CDCD	
O=C(O)[C@H]1COCCN1Cc1cc(Cl)c(F)cc1O	1610746758	IEUGDKLFNGHLLU-SNVBAGLBSA-N	289.690	1.470	10	20	CDCD	
CCCN(CC(=O)O)Cc1ccc([N+](=O)[O-])c(OC)c1O	1589669618	GQXNRFVKHAGTMW-UHFFFAOYSA-N	298.295	1.606	10	20	CDCD	
C[C@H]1CN(Cc2cc(F)cc(F)c2O)C[C@@H](C(=O)O)O1	1599929630	AUOYQWXACQUYFT-CPCISQLKSA-N	287.262	1.344	10	20	CDCD	
CN(C)c1ccc(CN=c2cc[nH]c(C(=O)O)n2)cc1	1598320829	VAAORSJRLABHOF-UHFFFAOYSA-N	272.308	1.275	10	20	CDCD	
CC[C@H](C)N1CCN(C(=O)c2cccc(O)c2O)CC1	126387422	OJXIPGWCKDZEHN-NSHDSACASA-N	278.352	1.654	10	20	CDCD	
COC[C@@H](O)CCNCc1ccc2c(c1)CCCO2	921948075	MZYITBDOXCRKBY-AWEZNQCLSA-N	265.353	1.499	10	20	CDCD	
COc1cccc(O)c1CN1CCC2(CCNC2)CC1	843126124	GSOICUIXIMTSIG-UHFFFAOYSA-N	276.380	1.976	10	20	CDCD	
Nc1ccc(CC(=O)N[C@@H]2CCC[C@H]3OCC[C@H]23)cc1	163109654	VXLLPVVEJUPFCJ-RBSFLKMASA-N	274.364	1.885	10	20	CDCD	
CNC(=O)CCNCc1ccc(N2CCCC2)cc1	44989786	RRZJMCQIAZXETG-UHFFFAOYSA-N	261.369	1.513	10	20	CDCD	
COCC[C@@](C)(O)CN[C@H]1CCc2cccc(O)c21	297823358	RLNAPYRXOLTZEF-SWLSCSKDSA-N	265.353	1.757	10	20	CDCD	
Cn1ccc(CCN[C@@H]2CCc3cccc(O)c32)n1	311803979	BYEQOOXOJWFABF-CYBMUJFWSA-N	257.337	1.945	10	20	CDCD	
COc1ccc(O)c(CN2CC[C@@H](C(=O)O)[C@H](C)C2)c1	312712741	TUULICXOGFSAKI-ZWNOBZJWSA-N	279.336	1.943	10	20	CDCD	
Cc1ccc(O)c(CN2CCCO[C@@H](CN)C2)c1	313354583	OOESCIJVSANAJZ-ZDUSSCGKSA-N	250.342	1.250	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](N)CC(F)F	383794601	NGDDVYINARVCSQ-LBPRGKRZSA-N	285.338	1.694	10	20	CDCD	
C[C@@H](CNCc1cc2c(cc1O)OCO2)CN1CCCC1	60942139	MILPLCSGPFQBJV-LBPRGKRZSA-N	292.379	1.942	10	20	CDCD	
CNC(=O)[C@H]1CCCCN1Cc1ccc(N(C)C)cc1	179333236	IJEASNDGHZSWAS-OAHLLOKOSA-N	275.396	1.853	10	20	CDCD	
CCNC(=O)[C@@H](C)N[C@@H](C)c1ccc(F)cc1O	62745936	IQPZNEMIJJTMKQ-DTWKUNHWSA-N	254.305	1.707	10	20	CDCD	
C[C@@H](CC[S@](C)=O)NCc1ccc(N(C)C)cc1	125482571	WIJUFOKTDKSHKU-KPZWWZAWSA-N	268.426	1.999	10	20	CDCD	
Cn1cc(NC(=O)/C=C/c2ccc(O)c(O)c2)cn1	180644202	IPXRFHIJPZIFHC-HWKANZROSA-N	259.265	1.483	10	20	CDCD	
CC1(C)[C@@H](NC(=O)c2cccc(O)c2O)[C@@H]2CCO[C@@H]21	187120669	HPKCZNQICSJULN-XDTLVQLUSA-N	277.320	1.641	10	20	CDCD	
CCOCCCC(=O)N[C@H](C)Cc1ccc(O)c(O)c1	183476296	CXVRGKZRPZBMOS-LLVKDONJSA-N	281.352	1.962	10	20	CDCD	
Cc1ccc(O)c(CN2CCN3C(=O)OC[C@H]3C2)c1	378344843	DCRAAYPKCHLQGD-GFCCVEGCSA-N	262.309	1.337	10	20	CDCD	
C[C@H](O)CCN(C)C(=O)/C=C/c1ccc(O)c(O)c1	181153415	FTHHDPDXBRBZRN-RWCYGVJQSA-N	265.309	1.340	10	20	CDCD	
C[C@@H](N)C1CCN(C(=O)Cc2ccc(N)cc2)CC1	178812611	WUDWGQIOZVUCSL-LLVKDONJSA-N	261.369	1.397	10	20	CDCD	
CC[C@H](NCCCNS(C)(=O)=O)c1ccccc1O	183348481	HIINIEIZAKCDQR-LBPRGKRZSA-N	286.397	1.372	10	20	CDCD	
O=C(NCc1nncn1C1CC1)c1c(F)ccc(O)c1O	276644006	VJPGOGNXAIXWJZ-UHFFFAOYSA-N	292.270	1.093	10	20	CDCD	
COC(=O)C1(O)CCN(Cc2ccc(N(C)C)cc2)CC1	278855984	MRJPTYYPZDIKKX-UHFFFAOYSA-N	292.379	1.253	10	20	CDCD	
COC[C@@H](CNCc1cc(C)c(C)cc1O)OC	272642337	CTLWSXAPZKEXJV-CYBMUJFWSA-N	253.342	1.760	10	20	CDCD	
COCCCOCCN(C)Cc1cc2c(cc1O)OCO2	271348409	FNDFCEXNIAACNY-UHFFFAOYSA-N	297.351	1.606	10	20	CDCD	
C[C@H](O)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	276340103	IFWGDHMHJQFCDL-WCQYABFASA-N	279.336	1.281	10	20	CDCD	
COCCCOCC(=O)NCc1cccc(OC)c1O	271761366	BKGFKGXARPSCFT-UHFFFAOYSA-N	283.324	1.070	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)c1ocnc1C1CC1	289829203	OPBNXBXEMWVVSF-UHFFFAOYSA-N	288.303	1.936	10	20	CDCD	
CO[C@@H]1[C@@H]2C[C@H]3[C@@H](C2)CN(C(=O)c2cc(O)cs2)[C@H]31	807688555	LOTMQKRJHQCQDL-LLHKWGMCSA-N	279.361	1.949	10	20	CDCD	
CCN(C)C(=O)[C@@H](NCc1ccccc1O)C(C)C	295116481	VVKBHVIKENWXFP-AWEZNQCLSA-N	264.369	1.985	10	20	CDCD	
NCCC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	294910551	CDINAHCDAZHCDZ-CYBMUJFWSA-N	278.352	1.249	10	20	CDCD	
CCOc1cccc(CN(C)C[C@@H](O)C2CC2)c1O	809752939	XVQYSUFJFJSCTL-CYBMUJFWSA-N	265.353	1.994	10	20	CDCD	
C[C@H](N)C[C@H](C)NCc1ccc(N2CCOCC2)c(F)c1	817888965	QGSOBOSKQWBAOF-STQMWFEESA-N	295.402	1.878	10	20	CDCD	
OC/C=C\CNCc1cc(Br)cc(F)c1O	715743661	CXFMHPKZABBCAV-UPHRSURJSA-N	290.132	1.932	10	20	CDCD	
CCN(C)c1ccc([C@H](C)NCCN2CCNCC2)cc1	817944016	VZZVRMAKOXWBCO-HNNXBMFYSA-N	290.455	1.699	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)NC[C@H]2CCCCN2)c1	817949688	MIWYUKGWTWESNZ-WCQYABFASA-N	292.379	1.972	10	20	CDCD	
COC[C@@]1(CN[C@H](C)c2ccc(F)cc2O)CCCN1	817973007	BAYOTWRREKIORA-ABAIWWIYSA-N	282.359	1.951	10	20	CDCD	
CC(=O)CSCC(=O)N[C@H](C)c1ccccc1O	827946238	BFIWSCDQVROTKW-SNVBAGLBSA-N	267.350	1.892	10	20	CDCD	
Cc1ccc(O)c(CN2CC[C@@H](N3CCOC3=O)C2)c1	826994341	DKMZXORIQHTEBM-CYBMUJFWSA-N	276.336	1.727	10	20	CDCD	
C[C@@H](O)CN(Cc1cc2c(cc1O)OCO2)CC(F)F	825099092	ULPYCBYMMFPHHA-MRVPVSSYSA-N	289.278	1.569	10	20	CDCD	
CC[C@@H](C)NC(=O)[C@H](C)OC(=O)c1cc(O)cs1	732353527	SMYXLSTYKTTWLD-SFYZADRCSA-N	271.338	1.914	10	20	CDCD	
CN1CC[C@H](N(C)Cc2c(O)ccc3ccncc23)C1=O	738271911	GWEWDYSNNPMEBQ-AWEZNQCLSA-N	285.347	1.603	10	20	CDCD	
Nc1ccc(NC(=O)c2cc([C@@H]3CCNC3)[nH]n2)cc1	832243962	BGGWNYUJQDALJX-SECBINFHSA-N	271.324	1.321	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CCCN2C=O)c1	830541012	QXVPHOKRUHVMEQ-MFKMUULPSA-N	292.335	1.199	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)NC1CSC1	912631114	GRCKXPYKFZJNQN-RQOWECAXSA-N	251.307	1.343	10	20	CDCD	
C[C@H](N[C@H]1CCc2c(nnn2C)C1)c1cc(F)ccc1O	848562499	DTDFSVJMBHREPS-ONGXEEELSA-N	290.342	1.868	10	20	CDCD	
COc1cccc(O)c1CNCC[C@]1(O)CCCOC1	846112224	YJMSFEIJTUGAGB-OAHLLOKOSA-N	281.352	1.422	10	20	CDCD	
CC[C@H](O)[C@H](C)C(=O)N[C@H](C)c1ccccc1O	913763707	OQBPXUMGQNOWFP-UMNHJUIQSA-N	251.326	1.976	10	20	CDCD	
COCOCCCNC(=O)c1ccc(C)c(O)c1O	848168423	LEJPYRBOUXQSPD-UHFFFAOYSA-N	269.297	1.147	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N1CCCCC[C@@H]1CO	911960329	USXXXAQEHWZBDX-FWPCIQOSSA-N	291.347	1.875	10	20	CDCD	
CN(CCC1(O)CCC1)c1ccc(OCC(=O)O)cc1	846280174	TZKQNHHMFKIMAW-UHFFFAOYSA-N	279.336	1.891	10	20	CDCD	
COc1ccc(N(C)CCN(C)Cc2cnc[nH]2)cc1	844402415	XCKLDBHYRNCOFA-UHFFFAOYSA-N	274.368	1.987	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CCN[C@@H](C)C2)c1O	842473402	DBQCYEZIKOOCOF-VIFPVBQESA-N	266.316	1.528	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@H]2CCC(=O)C2)c1	843831902	SIRNGWFISITVRO-VIFPVBQESA-N	263.293	1.386	10	20	CDCD	
CC(C)(C)C(=O)C(=O)NCc1ccc(O)cc1O	910950789	IGZBXFQTPAOUKZ-UHFFFAOYSA-N	251.282	1.329	10	20	CDCD	
Cc1cc(O)ccc1NS(=O)(=O)c1ccn(C)n1	743259970	SFXAPCSVFWPVKD-UHFFFAOYSA-N	267.310	1.235	10	20	CDCD	
CC(C)(CNC(=O)c1cc(O)cs1)C1(O)CCOCC1	842273150	CYEJUCBDPLOVCA-UHFFFAOYSA-N	299.392	1.751	10	20	CDCD	
CCCN[C@H](C)C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1	841845970	INBQSUYJPAQUNT-IUODEOHRSA-N	292.427	1.257	10	20	CDCD	
CCNC(=N)NC[C@@H]1CCN(c2ccc(OC)cc2)C1	849044161	WZPCVBNEWZAULY-LBPRGKRZSA-N	276.384	1.655	10	20	CDCD	
COCOCCCNC(=O)/C=C/c1ccc(O)c(O)c1	848169065	XFEDGUCHZOXONL-GQCTYLIASA-N	281.308	1.238	10	20	CDCD	
COc1cccc([C@H](C)NCC[C@@]2(O)CCCOC2)c1O	846212961	ORZZITQUSHCFJE-LRDDRELGSA-N	295.379	1.983	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2C[C@H](CN)C[C@@H]2C)c1O	843056950	DCSRJWJQSMDUFD-UWVGGRQHSA-N	295.339	1.478	10	20	CDCD	
O=C(OCCn1ccccc1=O)c1cccc(O)c1O	758561302	OBERGSVNQMAYPF-UHFFFAOYSA-N	275.260	1.117	10	20	CDCD	
CO[C@@]1(CNC(=O)NCc2cc(C)ccc2O)CCOC1	858363339	SWTQAOFWIXFZBH-OAHLLOKOSA-N	294.351	1.305	10	20	CDCD	
Nc1ccc(CCNC(=O)C(=O)C2CCSCC2)cc1	857765061	JXFKMDRPVLRSNK-UHFFFAOYSA-N	292.404	1.640	10	20	CDCD	
CC[C@@H](NC)C(=O)NCc1ccc2c(c1)CCCN2C	852799373	SHHKKAVRSUYLJO-CQSZACIVSA-N	275.396	1.683	10	20	CDCD	
C[C@H](NC[C@@H](O)CN(C)C)c1cc(Cl)ccc1O	756554877	JVKLLICYMFTDSO-GXSJLCMTSA-N	272.776	1.619	10	20	CDCD	
C[C@@H](N)C[C@@H](C)NCc1ccc(N2CCC(O)CC2)cc1	854230371	NYGQKAKHVDGFQE-ZIAGYGMSSA-N	291.439	1.863	10	20	CDCD	
COC[C@H](O)CCN[C@@H](C)c1cc(F)cc(F)c1O	756777039	GAPWWPMTFYPQPD-WCBMZHEXSA-N	275.295	1.718	10	20	CDCD	
Cn1cc(/C=C/C(=O)N2CCc3ccncc32)cn1	755979003	RTGUYNJPJMYERK-NSCUHMNNSA-N	254.293	1.418	10	20	CDCD	
C[C@H]1[C@@H](C)N(Cc2ccc(N)cc2)CCS1(=O)=O	1334754268	NUSPVPZCXRJQPF-MNOVXSKESA-N	268.382	1.276	10	20	CDCD	
O=C(NCc1ccccc1O)[C@H]1CCn2cncc2C1	750924466	SKWMYSRNPZDTDK-NSHDSACASA-N	271.320	1.468	10	20	CDCD	
Cc1nccn1CCNC(=O)N[C@H](C)c1ccccc1O	868370771	UMLWRRVTJDVGRW-LLVKDONJSA-N	288.351	1.958	10	20	CDCD	
COC/C=C\C(=O)NCCCSc1nccs1	865783766	BAZCEURLIZLOPE-RQOWECAXSA-N	272.395	1.944	10	20	CDCD	
OC[C@@H]1CN(Cc2cccc(Cl)c2O)C[C@@H]1CO	877765208	VMXQJSOCVJEDAG-PHIMTYICSA-N	271.744	1.078	10	20	CDCD	
CCN(CC)C(=O)COC(=O)/C=C\c1ccc(O)c(O)c1	772773128	BPGDAPSTNPDPGW-VURMDHGXSA-N	293.319	1.523	10	20	CDCD	
CO[C@H](C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	773006929	GLSLFJUGWWFKEY-WDEREUQCSA-N	250.342	1.965	10	20	CDCD	
CC(=O)N1CC[C@](C)(C(=O)N(C)c2ccc(N)cc2)C1	877077334	DLAOZFPRIJDETN-HNNXBMFYSA-N	275.352	1.490	10	20	CDCD	
COc1cc(O)c(CNCCC(C)(C)O)cc1OC	776016213	ZNSQXAZNRFZTBC-UHFFFAOYSA-N	269.341	1.660	10	20	CDCD	
Cc1ccc(C)n1-c1ccc(C(=O)Nc2nnn(C)n2)cc1	770023804	ZFFJMUXOQBQCMD-UHFFFAOYSA-N	296.334	1.870	10	20	CDCD	
COC(=O)c1cc(NCc2ccc(N(C)C)cc2)ncn1	881773702	GUBPTTLLODZFBC-UHFFFAOYSA-N	286.335	1.941	10	20	CDCD	
COC(=O)[C@H]1CN(Cc2cc(F)cc(F)c2O)CCO1	894002864	XBIBQMQJQJMRCT-LLVKDONJSA-N	287.262	1.044	10	20	CDCD	
Cc1cc(N)nc(NCc2ccc(N3CCOCC3)cc2)n1	891967273	HPCJBNAAHXTETN-UHFFFAOYSA-N	299.378	1.816	10	20	CDCD	
COc1ccc(O)c(CNCC[C@@H](O)C2CC2)c1	898202313	HJMRICXIZHJHMU-CQSZACIVSA-N	251.326	1.651	10	20	CDCD	
NC(=O)N1CCCN(Cc2cc(F)cc(F)c2O)CC1	893988018	XFGOFVVKRWKBPH-UHFFFAOYSA-N	285.294	1.257	10	20	CDCD	
CCc1cc(O)ccc1NS(=O)(=O)C[C@@H]1CCCO1	790416066	NXQXZFCXMKNPQT-LBPRGKRZSA-N	285.365	1.875	10	20	CDCD	
Cc1cccc(CN2[C@@H](C)[C@H](C)NC(=O)[C@H]2C)c1O	895118862	QMJMVCVDITVSMJ-SDDRHHMPSA-N	262.353	1.798	10	20	CDCD	
COC(=O)CC1(COC(=O)c2cccc(O)c2O)CC1	799507694	NDTCCOVYODYECK-UHFFFAOYSA-N	280.276	1.598	10	20	CDCD	
CCOc1ccc(N(C)C[C@@H]2CN(C)C(=O)O2)cc1	1333038045	DVZKWTYOXIOOLB-CYBMUJFWSA-N	264.325	1.972	10	20	CDCD	
CC(=O)N1C[C@@H]2CN(Cc3cc(C)cc(C)c3O)C[C@@H]2C1	1349939631	WJROLRHIRXIXIL-IYBDPMFKSA-N	288.391	1.919	10	20	CDCD	
CCCc1cc(C(=O)NCc2cccc(O)c2O)n[nH]1	1348048024	RQWWHWLIEBPELK-UHFFFAOYSA-N	275.308	1.703	10	20	CDCD	
C[C@H](C[S@](C)=O)NCc1cc(F)c(N(C)C)cc1F	1351507536	MILGLVHJHBOUBY-HOGDKLEQSA-N	290.379	1.887	10	20	CDCD	
C[C@]1(CO)C[C@H](O)CN1Cc1ccc(N2CCCC2)cc1	1353562125	SYWNLJQGGWTCLR-DLBZAZTESA-N	290.407	1.604	10	20	CDCD	
Nc1ccc(CNC(=O)[C@]2(c3ccccc3)CCNC2)cc1	1356228060	NKMYEYAOEJYJND-GOSISDBHSA-N	295.386	1.816	10	20	CDCD	
CN(C)c1ccc(CN(CCC(=O)O)CC(=O)O)cc1F	1606054250	PLHXMFWTNYKASL-UHFFFAOYSA-N	298.314	1.253	10	20	CDCD	
O=C(NCc1cccc(Cl)c1O)NC[C@H]1C[C@H]1C(=O)O	1608470348	KUNZVLHVUZBTFT-RKDXNWHRSA-N	298.726	1.566	10	20	CDCD	
Cc1cccc(CN2CCOC[C@@H]2CC(=O)O)c1O	1607850517	JILKNLJPFZWNDD-LBPRGKRZSA-N	265.309	1.376	10	20	CDCD	
CN(C)c1ccc(CN(C)C(=O)[C@H]2C[C@@H](C(=O)O)C2)cc1	1526739131	DLHGOLCPIICJDN-BETUJISGSA-N	290.363	1.822	10	20	CDCD	
O=C(O)c1cc(N2Cc3cccc(O)c3C2)ncn1	1608853113	WJLHRQQKMZWNKF-UHFFFAOYSA-N	257.249	1.401	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2CC[C@H](C(=O)O)C2)c1O	1604679838	FFZPGURPRABXNN-VIFPVBQESA-N	296.279	1.216	10	20	CDCD	
Cc1cc(C)c(O)c(CN2C[C@H](C)O[C@H](C(=O)O)C2)c1	1600163194	CNNMWFKMAUKAMB-AAEUAGOBSA-N	279.336	1.683	10	20	CDCD	
C[C@H](NC(=O)N1CCN[C@H]2C[C@H]21)c1ccc(N(C)C)cc1	1576201753	YLXGMTNAYUEWIR-TUKIKUTGSA-N	288.395	1.569	10	20	CDCD	
COc1ccc(CN[C@@H]2CNCC23CC3)c(O)c1OC	1579216319	NXEYEWLYRJAHHA-GFCCVEGCSA-N	278.352	1.251	10	20	CDCD	
CC[C@@H](CNCc1ccc(F)c(F)c1O)C(=O)O	1589552056	JRMQMZREQFUICD-ZETCQYMHSA-N	259.252	1.871	10	20	CDCD	
COc1cc(CN2CCOC[C@H]2C)c(O)cc1C	159776123	ROVNENJHPJQOHI-LLVKDONJSA-N	251.326	1.930	10	20	CDCD	
COCCOCCCCNC(=O)c1cccc(O)c1O	126543157	SRXKDDKNFBJTCR-UHFFFAOYSA-N	283.324	1.271	10	20	CDCD	
C[C@H](CCS(C)(=O)=O)N[C@H]1CCc2cccc(O)c21	834623945	CLLFXOJVKDAADT-PWSUYJOCSA-N	283.393	1.792	10	20	CDCD	
CCOCCOCCNCc1ccc(C)cc1O	897204019	IJPIADDGLULMEV-UHFFFAOYSA-N	253.342	1.843	10	20	CDCD	
C[C@@H]1CN(C(=O)Cc2ccc(N)cc2)CC(C)(C)O1	45661135	WSRKGTYHEMRILJ-LLVKDONJSA-N	262.353	1.837	10	20	CDCD	
COc1ccc(O)c(CN2CC[C@@]3(CCN(C)C3)C2)c1	292887577	YMYOZIKPTOKDQK-MRXNPFEDSA-N	276.380	1.928	10	20	CDCD	
Cc1cccc(CN(C)[C@@H]2CCN(S(C)(=O)=O)C2)c1O	292811569	OWHAJQTVSLSWGT-CYBMUJFWSA-N	298.408	1.166	10	20	CDCD	
COC[C@](C)(O)CNCc1ccc(OC)c(C)c1	69911983	UXAFFJVLSQOJJO-CQSZACIVSA-N	253.342	1.491	10	20	CDCD	
C[C@H](N[C@@H]1CCOC[C@H]1O)c1ccc(N(C)C)cc1	706734533	SQQYSWKKTSWEGT-NILFDRSVSA-N	264.369	1.553	10	20	CDCD	
C[C@@H](NC[C@@H](C)S(C)(=O)=O)c1ccccc1O	697619641	FJFMZESZXUCJSY-NXEZZACHSA-N	257.355	1.476	10	20	CDCD	
c1cc2c(cc1CN[C@@H]1C[C@H]3CN[C@@H](C3)C1)CCO2	1580891131	RVZIONZMCRDPSV-YUELXQCFSA-N	258.365	1.852	10	20	CDCD	
CCN(CC)c1ccc(CN2CCNC(=O)C2)cc1	179595340	RBWUVFFQPOYLNE-UHFFFAOYSA-N	261.369	1.465	10	20	CDCD	
COc1ccc(O)c(CNC(=O)Cc2ccncc2)c1	182131743	RTQDMTFAJRAREI-UHFFFAOYSA-N	272.304	1.655	10	20	CDCD	
Cc1ccc(C(=O)N2CCOC[C@@H]2C2CC2)c(O)c1O	182945680	XBTBIEZTGDONFE-GFCCVEGCSA-N	277.320	1.657	10	20	CDCD	
CC1CCN(CCNCc2cc3c(cc2O)OCO3)CC1	42880386	IUMRWRPVYRNLCX-UHFFFAOYSA-N	292.379	1.942	10	20	CDCD	
CC(C)(O)C(=O)NCc1c(O)ccc2c1CCCC2	191858527	NGCDKJIGFSZNRG-UHFFFAOYSA-N	263.337	1.658	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)COCCOC	42035155	MHGUSUQACPKGJL-UHFFFAOYSA-N	294.395	1.764	10	20	CDCD	
C[C@H]1CCN(Cc2cc(F)ccc2O)CCS1(=O)=O	192049059	VZGMVFZMHLZTEY-JTQLQIEISA-N	287.356	1.540	10	20	CDCD	
CC1(C)[C@H](O)C[C@H]1NC(=O)/C=C/c1ccc(O)c(O)c1	190488665	GUUXHIBJHNZMDU-LOWFTVKWSA-N	277.320	1.387	10	20	CDCD	
C[C@H](CN(C)Cc1ccc(N(C)C)cc1)C(=O)O	86806983	DTNNICVRVQMCDM-LLVKDONJSA-N	250.342	1.905	10	20	CDCD	
CNCC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	193129934	XIWXAXBPECKWRH-CYBMUJFWSA-N	278.352	1.119	10	20	CDCD	
CCOc1ccc(O)c(CN(CC(N)=O)CC(C)C)c1	92011933	SSYIBAKMQRJQFX-UHFFFAOYSA-N	280.368	1.734	10	20	CDCD	
CCn1nncc1CNCc1cc(OC)c(OC)cc1O	529641378	YHCRYTZUPPHIPJ-UHFFFAOYSA-N	292.339	1.311	10	20	CDCD	
Nc1ccc(CNC(=O)c2ccnc(N3CCCC3)n2)cc1	1263304157	UDTVYTOPKGRABN-UHFFFAOYSA-N	297.362	1.589	10	20	CDCD	
CC[S@@](=O)CC(=O)NCc1ccc(N(C)C)cc1	278800054	ZFRQXFHMCGCMCD-GOSISDBHSA-N	268.382	1.137	10	20	CDCD	
C[C@@H](NC(=O)c1cccc(O)c1O)c1nnc2n1CCC2	280148768	RKLVOUBLIIRHFK-MRVPVSSYSA-N	288.307	1.127	10	20	CDCD	
COc1ccc(CNCCCn2cc(CO)nn2)cc1C	289787571	JYKKKQKVIDMAEA-UHFFFAOYSA-N	290.367	1.267	10	20	CDCD	
Cc1ccc(C(=O)NC[C@H](CO)C(C)C)c(O)c1O	805314525	MDMHYKTWSGAQAM-SNVBAGLBSA-N	267.325	1.401	10	20	CDCD	
COc1ccc(O)c(CN(C)C[C@@H](O)C(F)(F)F)c1	809751301	QCUQRZACDIGMHU-LLVKDONJSA-N	279.258	1.756	10	20	CDCD	
CCOc1ccc(CN2CCNC(=O)C[C@H]2C)c(O)c1	809766172	WGBKHBZEUFSDSN-LLVKDONJSA-N	278.352	1.501	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2cn(C)nn2)c1	809665779	BJQRVYAATMPTIJ-MRVPVSSYSA-N	276.296	1.020	10	20	CDCD	
CC(=O)C(=O)Cn1c(=O)ncn1-c1ccc(C)c(Cl)c1	809985617	RAKOUGSCTFDLLE-UHFFFAOYSA-N	293.710	1.154	10	20	CDCD	
OCCCN1CCC[C@H](NCc2c(O)cccc2Cl)C1	295130170	OLHQDJFCVOVWCY-LBPRGKRZSA-N	298.814	1.982	10	20	CDCD	
COc1cc(CN2CC[C@@H](NC(C)=O)C2)c(O)cc1C	817367090	BDJPDUNWMSVRAD-CYBMUJFWSA-N	278.352	1.420	10	20	CDCD	
C[C@H](NC[C@H]1CCCNC1)c1cc([N+](=O)[O-])ccc1O	817945496	DZAGZONRDYLXQV-QWRGUYRKSA-N	279.340	1.951	10	20	CDCD	
CCOC[C@@H](O)CNc1ccccc1OCCF	819488579	NRTITFDYARGOKS-NSHDSACASA-N	257.305	1.844	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CC[C@@H]2OCC[C@@H]2C1	724831739	QZGULNGASFHPSU-SKDRFNHKSA-N	263.293	1.349	10	20	CDCD	
NCCCCC(=O)NCCCSc1nccs1	829528244	NIGXPGQTQKPBMB-UHFFFAOYSA-N	273.427	1.871	10	20	CDCD	
Cc1cc(O)c(CN(C)C2(CO)CCOCC2)cc1C	827908800	QNFNZJGLVRVXBT-UHFFFAOYSA-N	279.380	1.982	10	20	CDCD	
CCc1cc(C(=O)NCc2ccc(O)c(O)c2)n(C)n1	821070687	KOWCVIXARYJRLX-UHFFFAOYSA-N	275.308	1.324	10	20	CDCD	
CCOc1ccc(CN2C[C@@H](C)C[C@@H](O)C2)c(O)c1	825312749	XKXLHUBWWYVYAB-WCQYABFASA-N	265.353	1.994	10	20	CDCD	
COc1ccc(CNC[C@]2(C)CCC(=O)N2)cc1C	835061893	VUKREBKMDKUITB-HNNXBMFYSA-N	262.353	1.762	10	20	CDCD	
CN(C)c1ccc([C@H](N)CNC(=O)CC2CC2)cc1	832300182	NRNAHWVTJMQXKF-CQSZACIVSA-N	261.369	1.669	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)[C@H](OC)C(=O)O	901849029	IGBPJJDPPZJBLV-LBPRGKRZSA-N	281.308	1.230	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCSC[C@@H]1CCO	830565872	YZQDFCLJIZSMHF-QMMMGPOBSA-N	273.379	1.394	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(C)(C)CO	847696113	LWFQOCGXFWIWLU-SECBINFHSA-N	267.325	1.164	10	20	CDCD	
COc1cc(O)c(CNC[C@@H]2C[C@H](F)CN2)cc1OC	841079710	PUMXRDHRSHWFKX-QWRGUYRKSA-N	284.331	1.199	10	20	CDCD	
Cn1nnc2c1CC[C@H](N[C@H]1CCc3cccc(O)c31)C2	848563895	YQSYFAFCKARMIU-RYUDHWBXSA-N	284.363	1.655	10	20	CDCD	
C[C@H](NC(=O)N1CCC[C@H](N)C1)c1ccc(N(C)C)cc1	841883970	XHAMWRDABOZKAO-JSGCOSHPSA-N	290.411	1.946	10	20	CDCD	
O=C(O)CN(Cc1ccccc1O)C(=O)C1=CCCC1	911483430	AEGKTDAESJYXDV-UHFFFAOYSA-N	275.304	1.916	10	20	CDCD	
O=C(NCc1ccc(N2CC=CC2)cc1)c1cnns1	740842311	RRCRBHUWNDXWMA-UHFFFAOYSA-N	286.360	1.844	10	20	CDCD	
CCOCCOCCOC(=O)c1cc(O)cs1	922437169	IIBRHAYJJHLLBB-UHFFFAOYSA-N	260.311	1.664	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@H](C)C(=O)N(C)C)c1	756739594	PPMFJIXLSAHBNB-VHSXEESVSA-N	294.351	1.306	10	20	CDCD	
C[C@@H](NCCN1CC[C@@H](O)C1)c1cc([N+](=O)[O-])ccc1O	858547576	GJBPHMAXGFLTAB-ZYHUDNBSSA-N	295.339	1.018	10	20	CDCD	
CCOc1ccc(CN[C@@H]2CCC[C@H]2C(=O)NC)c(O)c1	765795039	GVSRTPXKVMCVAZ-ZIAGYGMSSA-N	292.379	1.795	10	20	CDCD	
COc1cccc(O)c1CN1C[C@@H]2CCCN[C@@H]2C1	769443339	XFQWXWZWBPKUJC-WCQYABFASA-N	262.353	1.585	10	20	CDCD	
CC[C@]1(C(=O)NCc2ccc(N(C)C)cc2)CCNC1=O	864573317	JYAUTRFETGXPHN-INIZCTEOSA-N	289.379	1.285	10	20	CDCD	
Cc1ccc(C(=O)OC[C@@H]2COC(=O)O2)c(O)c1O	763954245	FHYGCBCKQHWWGM-SSDOTTSWSA-N	268.221	1.098	10	20	CDCD	
O=C(NCc1ccccc1O)Nc1nc2ccccn2n1	760036049	DBUFNLLPJCRULL-UHFFFAOYSA-N	283.291	1.757	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)c2c(O)nnc(C)c2C)c1	862759564	HTRZITMKNNMUHJ-UHFFFAOYSA-N	287.319	1.743	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)C[C@H]2COC(=O)C2)c1	862758215	SRKKXAKQIBYMQA-SNVBAGLBSA-N	263.293	1.270	10	20	CDCD	
C[C@H](NC(=O)[C@]1(O)CCSC1)c1ccc(N(C)C)cc1	775412015	UEUAQQCUAULQET-NHYWBVRUSA-N	294.420	1.798	10	20	CDCD	
C[C@H](CC(=O)NCc1ccc(N)cc1)C1CCNCC1	1122538735	HIJYAXJECZNUKM-GFCCVEGCSA-N	275.396	1.911	10	20	CDCD	
COCC[C@@H](N)C(=O)NCCCSc1nccs1	884138784	ZGDWGJBSKHGYAB-SECBINFHSA-N	289.426	1.105	10	20	CDCD	
Cc1cc(C)c([C@H](C)NC[C@H](O)CN(C)C)c(O)c1	788593178	FUDIBJIWDKGHQO-STQMWFEESA-N	266.385	1.582	10	20	CDCD	
CCOc1ccc(CN2C[C@H](O)C[C@H]2C)c(O)c1	788270370	RHNFAEMHKXRDPA-ZYHUDNBSSA-N	251.326	1.746	10	20	CDCD	
COc1ccc(CN[C@@H](C)C2(CO)CC2)c(O)c1OC	895344587	RMJYCFXDHZIXRM-JTQLQIEISA-N	281.352	1.660	10	20	CDCD	
COc1cc(O)c(CN[C@@H]2C(=O)NCC2(C)C)cc1OC	895315627	IBEKHPBGHZSGQJ-CYBMUJFWSA-N	294.351	1.024	10	20	CDCD	
CCOC(=O)[C@@H](NCc1ccccc1O)C1CCOCC1	789579291	GKSIFFARJGMDLN-HNNXBMFYSA-N	293.363	1.840	10	20	CDCD	
Cc1ccc([C@H](O)CNC(=O)c2cccc(O)c2O)o1	790769743	XXKIPWMBXQWDIU-LLVKDONJSA-N	277.276	1.463	10	20	CDCD	
COc1cccc(CN[C@H](C)C2(CO)CC2)c1O	696018011	KZTGZIPFFDCEPH-SNVBAGLBSA-N	251.326	1.651	10	20	CDCD	
CN(C)c1ccc(CNC2(C(=O)O)CCOCC2)cc1	789902500	PPCQTHZSFOIHQE-UHFFFAOYSA-N	278.352	1.476	10	20	CDCD	
C[C@@H]1CN(C(=O)NCc2ccc(N)cc2)[C@H](C)CO1	1338793444	PMXPRIGMWNDZMK-GHMZBOCLSA-N	263.341	1.588	10	20	CDCD	
C[C@H](N[C@@H]1C[C@@H](O)C1(C)C)c1cc(C(=O)O)ccc1O	1593218553	GUHWJLWFEADPGU-ZEGGKSINSA-N	279.336	1.900	10	20	CDCD	
COc1c(C(=O)O)ncnc1N(C)Cc1ccccc1O	1599331005	AZJRZDNOGAWELB-UHFFFAOYSA-N	289.291	1.525	10	20	CDCD	
OC[C@H]1C[C@H](NCc2ccc(N3CCOCC3)cc2)C1	923006533	BHJHUPWXAZUJOY-SHTZXODSSA-N	276.380	1.384	10	20	CDCD	
Cc1ccc(O)c([C@H](C)NC[C@H]2CN(C)CCN2C)c1	68800937	ROCNVGCTTHTGLE-KBPBESRZSA-N	277.412	1.597	10	20	CDCD	
CCN(CC)CC(=O)NCc1ccc(N(C)C)c(F)c1	58975092	MAGQLSWWGNSAOR-UHFFFAOYSA-N	281.375	1.850	10	20	CDCD	
O=C(O)[C@@H]1C[C@@H](O)CN1Cc1ccc(Cl)cc1O	1601773383	SAHQDBSOGZYZLG-ZJUUUORDSA-N	271.700	1.065	10	20	CDCD	
Cc1ccc(C(=O)NCC(C)(C)CN(C)C)c(O)c1O	177660102	HJWLFJAYMYKKJN-UHFFFAOYSA-N	280.368	1.724	10	20	CDCD	
COc1cc(CN2CCS(=O)(=O)C[C@H]2C)c(O)cc1C	179444764	VAHXCZIILZYSEG-LLVKDONJSA-N	299.392	1.328	10	20	CDCD	
COc1ccc(N2CCN(C(=O)NCC(F)F)CC2)cc1	174388530	UKHKUYFHXQTIBL-UHFFFAOYSA-N	299.321	1.792	10	20	CDCD	
C[C@@H](C(=O)NC[C@H]1CCCO1)N(C)Cc1ccccc1O	114721380	KDJDSLSKNUFGKK-GXTWGEPZSA-N	292.379	1.508	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)[C@@H]1COc2ccccc2C1	178445150	RYSCHAJWPHDXKA-ZDUSSCGKSA-N	299.326	1.965	10	20	CDCD	
COc1ccc(O)c([C@H](C)NCC2OCCO2)c1	180251171	WPYNZYOOIQPJPA-VIFPVBQESA-N	253.298	1.424	10	20	CDCD	
C[C@@](O)(CNC(=O)c1cccc(O)c1O)c1ccsc1	185769646	CXEXEAFYSWLLEP-CQSZACIVSA-N	293.344	1.797	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1ccncn1	194116210	IDCLCCHQSIAPGY-UHFFFAOYSA-N	299.334	1.974	10	20	CDCD	
Cc1cnc(CNC(=O)c2cccc(O)c2O)s1	193099145	BJZUZIXMRWIOHR-UHFFFAOYSA-N	264.306	1.793	10	20	CDCD	
COc1ccc(O)c(CN[C@H]2C(=O)NCC[C@H]2C)c1	195006845	BGWABKITWHHUSW-NOZJJQNGSA-N	264.325	1.015	10	20	CDCD	
Cc1cccc([C@@H](O)CNC(=O)c2cccc(O)c2O)c1	193138306	VSCFBACPWYPPQJ-AWEZNQCLSA-N	287.315	1.870	10	20	CDCD	
CCOc1cccc(CN(C)CCNC(=O)C(C)C)c1O	92104007	PRCPULBDFJPEJU-UHFFFAOYSA-N	294.395	1.995	10	20	CDCD	
CN1CCN(C)[C@H](CN[C@H]2CCc3cccc(O)c32)C1	297704448	MNNHOLIODUWJDY-KGLIPLIRSA-N	275.396	1.215	10	20	CDCD	
CCN(C)C(=O)CN[C@@H](C)c1cc(C(=O)OC)ccc1O	274792965	OPJSQRKUMVBYDT-JTQLQIEISA-N	294.351	1.308	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)Nc1c([N+](=O)[O-])ncn1C	273892979	UIWGXWMIINECCK-QMMMGPOBSA-N	292.295	1.783	10	20	CDCD	
CNc1nc(C)cc(C(=O)NCc2ccc(N(C)C)cc2)n1	287311542	XAMPPWSBUGOOLT-UHFFFAOYSA-N	299.378	1.823	10	20	CDCD	
COc1cc(O)c(CNCc2cncn2C)cc1OC	291656078	UZAFNMYUOBFAKD-UHFFFAOYSA-N	277.324	1.433	10	20	CDCD	
COc1cccc(CNCCc2nccnc2C)c1O	293188371	WZHKSQOHFBWIEF-UHFFFAOYSA-N	273.336	1.832	10	20	CDCD	
CC(C)[C@H](O)C(=O)NCc1ccc(N2CCOCC2)cc1	291614613	YMTXHPQCWIHWAJ-HNNXBMFYSA-N	292.379	1.156	10	20	CDCD	
CC(=O)C(=O)COC(=O)c1ccc(O)c(Cl)c1	808487419	KCSPOGGAEYSAHS-UHFFFAOYSA-N	256.641	1.361	10	20	CDCD	
C[C@H](NCCN)c1cc(Br)ccc1O	817934083	BQNVRGXXZODQPY-ZETCQYMHSA-N	259.147	1.764	10	20	CDCD	
Nc1ccc(CCNC(=O)/C=C\C2CCOCC2)cc1	818544683	HBTVSYOIICVTCO-UTCJRWHESA-N	274.364	1.910	10	20	CDCD	
Cc1nccn1CCCC(=O)NCc1ccccc1O	725896096	YYLALIBMEKRNSZ-UHFFFAOYSA-N	273.336	1.994	10	20	CDCD	
COC[C@H](OC)C(=O)NCc1ccc(N2CCCC2)cc1	821842978	PQRVGMYXPIWEQJ-HNNXBMFYSA-N	292.379	1.564	10	20	CDCD	
COC(=O)c1ccc(O)c(/C=C2/SC(=S)NC2=O)c1	726786760	ATBHNXGNSVBCQK-WEVVVXLNSA-N	295.341	1.668	10	20	CDCD	
CC[C@H](O)[C@@H](C)C(=O)NCc1cc(OC)ccc1O	901130363	HVLZPFLGHAUDDJ-SKDRFNHKSA-N	267.325	1.424	10	20	CDCD	
CO[C@H](C1CC1)[C@H](C)NC(=O)c1cc(O)cs1	839786083	BNZMRMKKMHPVBC-CPCISQLKSA-N	255.339	1.997	10	20	CDCD	
O=C(N[C@H]1CCc2n[nH]cc2C1)c1cc(O)cs1	736680155	AUNLFZDTHWJZEP-QMMMGPOBSA-N	263.322	1.464	10	20	CDCD	
COC[C@@]1(C(=O)O)CCCN(Cc2ccccc2O)C1	901865573	QCFYGXJQELXXRB-OAHLLOKOSA-N	279.336	1.705	10	20	CDCD	
COc1ccc(CNC(=O)CCNC(C)C)c(O)c1	832178665	VOMNHPCDRAOJDS-UHFFFAOYSA-N	266.341	1.405	10	20	CDCD	
CCOC(=O)C[C@@H](C)CNC(=O)Cc1ccc(N)cc1	846681057	NRHURFVVANIJOI-LLVKDONJSA-N	278.352	1.517	10	20	CDCD	
CCOc1ccc(O)c(CN2CC[C@]3(CCNC3)C2)c1	843120735	SZTOMUULLORJTL-INIZCTEOSA-N	276.380	1.976	10	20	CDCD	
CC1(C(=O)NCc2ccc(O)cc2O)CCOCC1	910954180	JCPJKJFYCVXVHR-UHFFFAOYSA-N	265.309	1.531	10	20	CDCD	
COc1ccc(N(C)CCN(C)Cc2nnc(C)o2)cc1	844400066	UVLUQVHNLREGQT-UHFFFAOYSA-N	290.367	1.955	10	20	CDCD	
COc1cccc([C@H](C)N[C@@H](C)c2ncn(C)n2)c1O	846166209	UIVJFVLBOBLSPN-UWVGGRQHSA-N	276.340	1.941	10	20	CDCD	
C[C@@H](NCc1ccc2c(c1)CCCO2)[C@H]1CN(C)CCO1	921864080	RTDGQZXSHCHQBU-CXAGYDPISA-N	290.407	1.820	10	20	CDCD	
COc1cccc(CN[C@@H]2CC[C@H](CN)C2)c1O	841084527	KHFOMLYTPQLUJP-CMPLNLGQSA-N	250.342	1.618	10	20	CDCD	
CN(CC1=CCCOC1)Cc1cc2c(cc1O)OC[C@H]2O	853562311	KFQCIOFPTRADTR-OAHLLOKOSA-N	291.347	1.597	10	20	CDCD	
C[C@@H]1OCC[C@@]1(C)NC(=O)/C=C/c1ccc(O)c(O)c1	753051836	JZEKRXWQIIKLRV-CTKACEESSA-N	277.320	1.795	10	20	CDCD	
COC/C=C\C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	867302047	JCAHMVYJLCSUSZ-UMBAGQNISA-N	265.309	1.348	10	20	CDCD	
CCOc1ccc(CN2CCN(C(=O)NC)CC2)c(O)c1	769499991	YZHWFZNJOGGXNW-UHFFFAOYSA-N	293.367	1.248	10	20	CDCD	
C[C@@H](NS(=O)(=O)c1ncc[nH]1)c1ccc(N(C)C)cc1	867125055	HCZZNHSNCFSDNB-SNVBAGLBSA-N	294.380	1.515	10	20	CDCD	
COC[C@@H](CNC(=O)NCc1cc(C)ccc1O)OC	875474993	KBAASJYLJKVYDG-GFCCVEGCSA-N	282.340	1.161	10	20	CDCD	
OC[C@H]1CCN(Cc2ccc(N3CCC(O)CC3)cc2)C1	876660382	SCVHFBBBAOPRPP-HNNXBMFYSA-N	290.407	1.462	10	20	CDCD	
COc1cc(O)c(CN2C[C@@H](C)N(C)C[C@H]2C)cc1OC	775985540	MURKAWZMANLBFC-VXGBXAGGSA-N	294.395	1.934	10	20	CDCD	
Cc1ccc(CNCC[C@@]2(O)CCCOC2)c(O)c1	877613800	CEVCFVJVYOZFNE-HNNXBMFYSA-N	265.353	1.722	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NOCC2CC2)c1	875618153	FBTFNIGBYPUBAI-UHFFFAOYSA-N	250.298	1.841	10	20	CDCD	
COC1CCN(c2ccc(CN(C)CCO)cc2)CC1	1117755664	XDEKINUFICEDFV-UHFFFAOYSA-N	278.396	1.726	10	20	CDCD	
Cc1cnc(COCC(=O)NCCc2ccc(N)cc2)o1	876527989	NOPKZOHFBLLTEK-UHFFFAOYSA-N	289.335	1.441	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC[C@H](O)COCC2CC2)c1	775374472	CDJHVMJTEOUXBU-AAEUAGOBSA-N	295.379	1.839	10	20	CDCD	
CCN(CCNC(=O)/C=C/c1ccc(O)c(O)c1)C(C)C	779523032	YXTVRPLDTCPFDK-SOFGYWHQSA-N	292.379	1.958	10	20	CDCD	
CCOC(=O)[C@H](C)N(C)C(=O)/C=C\c1ccc(O)c(O)c1	779515537	TZAPROGNRNBEAX-ZEBCKKTISA-N	293.319	1.521	10	20	CDCD	
Cc1cc(C)c([C@H](C)NC[C@@H](O)CN(C)C)c(O)c1	788593177	FUDIBJIWDKGHQO-QWHCGFSZSA-N	266.385	1.582	10	20	CDCD	
Cc1nnc(CN(C)Cc2cc(F)cc(F)c2O)o1	895250722	HSDUQQIATHJVEW-UHFFFAOYSA-N	269.251	1.994	10	20	CDCD	
COc1cc(C)cc(CNC[C@@]2(O)CCO[C@@H]2C)c1O	894595318	OHMJOLYWGLUMEX-ABAIWWIYSA-N	281.352	1.339	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)NC[C@@H](O)C(F)(F)F	791190255	HLMBVXQMONENRQ-WUWIAWFRSA-N	291.225	1.150	10	20	CDCD	
COC[C@H](O)CCNCc1cc(C)cc(OC)c1O	894368730	OHEGRJHTEVHSTO-GFCCVEGCSA-N	269.341	1.196	10	20	CDCD	
C[C@@H]1[C@@H](C)N(C(=O)c2cccc(O)c2O)CCN1C	790911699	KOAADBNDQHLVJN-NXEZZACHSA-N	264.325	1.262	10	20	CDCD	
CNC(=O)[C@@]1(C)CCN(Cc2c(O)ccc3ccncc23)C1	797416200	YXKBVIPSBMBXTH-KRWDZBQOSA-N	299.374	1.898	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@@H](O)Cc1ccccc1	793655660	HIFMPXZESLDLEL-INIZCTEOSA-N	285.343	1.954	10	20	CDCD	
O=C(NCCOC[C@@H]1CCCO1)c1cccc(O)c1O	790721850	ZXGITARUWRQCHF-JTQLQIEISA-N	281.308	1.023	10	20	CDCD	
c1cc(N2CCCC2)ccc1CNC[C@H]1CNCCO1	1326074028	DLMWOMQWEISART-MRXNPFEDSA-N	275.396	1.365	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@H]2C[C@H]2C1	1333365890	UQOBGBNHPJXGHM-AAEUAGOBSA-N	288.347	1.219	10	20	CDCD	
C[C@@H]1C[C@H](NC(=O)NCc2ccc(N)cc2)CCN1C	1338731336	GTVDRNTVJDWDAL-BXUZGUMPSA-N	276.384	1.551	10	20	CDCD	
COCCOC[C@H](C)NC(=O)NCc1ccc(N)cc1	1336046840	AFSSSQXCAQSVEP-NSHDSACASA-N	281.356	1.120	10	20	CDCD	
Nc1ccc(CNC(=O)N[C@@H]2CC[C@@H]3CNC[C@@H]3C2)cc1	1336909292	OKRYQXAUPJTZSF-VNHYZAJKSA-N	288.395	1.456	10	20	CDCD	
C[C@@H](C(=O)O)C(=O)NCc1ccc(N(C)C)cc1	229345754	JWIQVTQQFQOKQN-SECBINFHSA-N	250.298	1.090	10	20	CDCD	
Oc1c(F)cc(F)cc1CN1[C@H]2CCNC[C@H]1CC2	1580885649	ITSIBXDYEUSUJW-VXGBXAGGSA-N	268.307	1.997	10	20	CDCD	
CC[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C(=O)O	1593605457	VWORJDWHGLWLSB-SECBINFHSA-N	278.268	1.442	10	20	CDCD	
COc1cc(O)c(CN(C2CC2)[C@H](C)C(=O)O)cc1OC	1594066762	XIYWABKWDXWARU-SECBINFHSA-N	295.335	1.847	10	20	CDCD	
COc1ccc(CN[C@H]2CCN(C(C)=O)C2)cc1C	1018383561	GZBJDGNTESBFFW-AWEZNQCLSA-N	262.353	1.714	10	20	CDCD	
O=C(CNCc1ccc2c(c1)CCCO2)NCC(F)F	922087435	STOHDABOKCABMM-UHFFFAOYSA-N	284.306	1.483	10	20	CDCD	
Cc1cccc(CN(C)[C@@H]2CCC(=O)N(C)C2)c1O	862427764	GDRGWQLAPSGYGZ-CYBMUJFWSA-N	262.353	1.753	10	20	CDCD	
CC(=O)N1CCC[C@H]1C(=O)N(C)Cc1ccccc1O	268646523	QIKCFQILAJEFNC-ZDUSSCGKSA-N	276.336	1.362	10	20	CDCD	
CCc1cccc(CNC[C@H](COC)OC)c1O	691494397	NWTUOHBUPMENFQ-CYBMUJFWSA-N	253.342	1.706	10	20	CDCD	
C[C@H]1CSC[C@@H]1NCc1cc2c(cc1O)OCO2	397964305	JJBFMYITOIOIAQ-WPRPVWTQSA-N	267.350	1.962	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C[C@@H]1CCC(=O)N1	844312894	IKEGWGIKXFIWCH-NSHDSACASA-N	275.352	1.230	10	20	CDCD	
CCCOCC(=O)NCc1ccc(N(C)C)cc1	65537597	NJNLRHIAYLRXQF-UHFFFAOYSA-N	250.342	1.795	10	20	CDCD	
Cc1cncc(NC(=O)C(=O)N(C)Cc2ccccc2O)c1	177221807	MUAOCQGYSKHDRU-UHFFFAOYSA-N	299.330	1.693	10	20	CDCD	
COc1ccc(CNCCN2CCOCC2)cc1C	35052427	IWOOJGUZNFCJSG-UHFFFAOYSA-N	264.369	1.425	10	20	CDCD	
O=[N+]([O-])c1ccc(O)c(CNCC2(CO)CCC2)c1	184365890	KBNJVRDBVDGGGI-UHFFFAOYSA-N	266.297	1.553	10	20	CDCD	
CSC[C@](C)(O)CNCc1cccc(C)c1O	182430687	WEFHFZFENFCGCO-CYBMUJFWSA-N	255.383	1.904	10	20	CDCD	
COC(=O)N1CC(N[C@H](C)c2cc(F)ccc2O)C1	186137843	FSLVPMFMLRJFOT-MRVPVSSYSA-N	268.288	1.633	10	20	CDCD	
CC[C@H](C)[C@H](O)CNC(=O)/C=C/c1ccc(O)c(O)c1	180867545	YJODNCOBEIKBLH-MFPXTQHRSA-N	279.336	1.634	10	20	CDCD	
CC[C@H](C(=O)NCCc1ccc(O)c(O)c1)N(C)C	122780710	DGHXBTNMUPXUOE-LLVKDONJSA-N	266.341	1.097	10	20	CDCD	
COc1ccc(O)c(CN2CCN(C)C(=O)C2(C)C)c1	180420358	GKWNPYGUEXKVTG-UHFFFAOYSA-N	278.352	1.453	10	20	CDCD	
CN1CCCc2cc(CNC(=O)C[C@@H]3CCNC3)ccc21	130586898	HQWOBNNGLWHRGC-AWEZNQCLSA-N	287.407	1.685	10	20	CDCD	
CCOc1ccc(O)c(CNC[C@H]2CCCS2(=O)=O)c1	131795087	WWPGFWVJUMODKJ-CYBMUJFWSA-N	299.392	1.458	10	20	CDCD	
COC[C@@H]1CN(Cc2cc(OC)c(C)cc2O)C[C@@H](C)O1	190206633	TUXZBNYGCUEIED-OCCSQVGLSA-N	295.379	1.945	10	20	CDCD	
CC(=O)CSCC(=O)NCc1ccc(N(C)C)c(F)c1	195393315	XMMACHMEOSKIHO-UHFFFAOYSA-N	298.383	1.830	10	20	CDCD	
CCC[C@H](N)C(=O)NCc1ccc(N2CCOCC2)cc1	236887988	QEKUPIBUGZMWTL-HNNXBMFYSA-N	291.395	1.267	10	20	CDCD	
Oc1ccc(F)cc1CN1CCO[C@@H]([C@@H]2CCCO2)C1	180266085	CMVGZZHGYWMPBA-LSDHHAIUSA-N	281.327	1.911	10	20	CDCD	
COC(=O)c1cnc(SCC(=O)NC(C)C)s1	295439423	ZXVOJSIPPHTQGU-UHFFFAOYSA-N	274.367	1.546	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNC[C@H](C)N(C)C)c1O	278478650	IVDFIVLAYOLCMI-VIFPVBQESA-N	283.328	1.349	10	20	CDCD	
CCCNC(=O)CN[C@H](C)c1cc([N+](=O)[O-])ccc1O	273425728	TZXTUQOKJYKKPA-SECBINFHSA-N	281.312	1.477	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)C(C)(C)CO	547605447	XUEVBMYIQOPUDW-UHFFFAOYSA-N	278.352	1.497	10	20	CDCD	
CC(=O)N1CC[C@@](C)(C(=O)Nc2ccc(N)cc2)C1	376693037	DPAJNAXRONFDSU-CQSZACIVSA-N	261.325	1.466	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NCCN2CCCOCC2)c1	289491278	RRHAJBXRENABLG-CYBMUJFWSA-N	294.395	1.774	10	20	CDCD	
Nc1ccc(CN2CCCC[C@@H]2C2OCCO2)cc1	1352786838	AZHSJXBYHVOJAE-CQSZACIVSA-N	262.353	1.996	10	20	CDCD	
C[C@@H](CC(C)(C)O)NCc1cc([N+](=O)[O-])ccc1O	294989703	HKDXYBKWHYITLY-VIFPVBQESA-N	268.313	1.940	10	20	CDCD	
C[C@@H](CNC(=O)c1cc(O)cs1)c1nncn1C	807355780	YMJIVFJBFFTZMD-ZETCQYMHSA-N	266.326	1.116	10	20	CDCD	
COC(=O)c1cnc(SC[C@H](O)CSC)s1	296320212	SUOFEFFHXKRGTQ-ZCFIWIBFSA-N	279.408	1.746	10	20	CDCD	
Cc1cc(C)c([C@@H](C)NC[C@@H]2CNCCO2)c(O)c1	817982526	DUHKMIMRXAONCC-OLZOCXBDSA-N	264.369	1.648	10	20	CDCD	
COc1cnc(C(=O)NCc2cc(OC)ccc2O)nc1	815835581	YJTXHUFMOWHLDT-UHFFFAOYSA-N	289.291	1.129	10	20	CDCD	
O=[N+]([O-])c1ccc(O)c(CNc2ccc(CO)cn2)c1	811501171	GBONWCBMXZNZLF-UHFFFAOYSA-N	275.264	1.800	10	20	CDCD	
CCN1C[C@H](NCc2cc(OC)c(OC)cc2O)CC1=O	824887037	OWXDASCVAYTKGS-LLVKDONJSA-N	294.351	1.120	10	20	CDCD	
CCOc1cccc(CNC[C@@H]2CCOC[C@@H]2OC)c1O	824710530	ZWLFAXRRSSPEGN-WFASDCNBSA-N	295.379	1.932	10	20	CDCD	
CCCCC[C@@H](O)C(=O)NCc1cc(OC)ccc1O	827317459	UQZGLEWVQLUMMW-CQSZACIVSA-N	281.352	1.958	10	20	CDCD	
Cc1cc(CN2C[C@H](O)[C@H](O)C2)ccc1N1CCCCC1	827964067	VTWKRVDBLRZACT-CALCHBBNSA-N	290.407	1.523	10	20	CDCD	
C[C@H](NC[C@H](c1ccc(N(C)C)cc1)N(C)C)C1CNC1	902517038	JELWTGSLWGVKGK-SUMWQHHRSA-N	290.455	1.553	10	20	CDCD	
CCOCCN(CC(=O)O)Cc1cc(Cl)ccc1O	737167717	PSHPESCXAWFXDC-UHFFFAOYSA-N	287.743	1.969	10	20	CDCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)OCC(F)F)c1	733464345	KAEDCTJXAXWHIX-UHFFFAOYSA-N	295.263	1.186	10	20	CDCD	
Nc1ccc(NC(=O)[C@@H]2COCCN2C2CCCC2)cc1	832250424	QGOPBZMVIDWRNU-HNNXBMFYSA-N	289.379	1.851	10	20	CDCD	
CCC[C@@H](O)CCNC(=O)c1ccc(C)c(O)c1O	832663072	VKERKPZGGVADIZ-SNVBAGLBSA-N	267.325	1.687	10	20	CDCD	
C[C@@H](OC(=O)c1cc(O)cs1)C(=O)NC(C)(C)C	731909780	KDDQIWIMPDWYSV-SSDOTTSWSA-N	271.338	1.914	10	20	CDCD	
C[C@@H]1CN(Cc2cccc(F)c2O)C[C@H]1C(=O)O	833628953	CXAVLDTXWMWGCW-PSASIEDQSA-N	253.273	1.684	10	20	CDCD	
O=C(O)[C@]1(F)CCN(Cc2c(O)ccc3ccncc23)C1	833175390	PUANJGYDZWCWLU-HNNXBMFYSA-N	290.294	1.939	10	20	CDCD	
C[C@H](CCN)NC(=O)N[C@H](C)c1ccc(N(C)C)cc1	841882724	NJCBQVDGNIZCFT-VXGBXAGGSA-N	278.400	1.850	10	20	CDCD	
CC(=O)C(=O)Cn1ccnc1[C@@H](O)C1CCCCC1	849951574	ROEOGNBSRFSLSO-ZDUSSCGKSA-N	264.325	1.655	10	20	CDCD	
CO[C@H](C)CNC(=O)NCCc1ccc(N)cc1	841960265	ZOXNZMSRURCZBA-SNVBAGLBSA-N	251.330	1.145	10	20	CDCD	
CCN1C[C@@H](CN[C@@H]2CCc3cccc(O)c32)CC1=O	846208378	JBLJNJMBDRKVQW-DGCLKSJQSA-N	274.364	1.838	10	20	CDCD	
C[C@@H](CN)CNC(=O)NCc1ccc(N2CC=CC2)cc1	841831948	IDPUFMICODHIIM-ZDUSSCGKSA-N	288.395	1.457	10	20	CDCD	
C[C@H](N)[C@H]1CN(Cc2cc(Cl)cc(F)c2O)CCO1	843057088	GFUNYXHVXVLDGJ-QPUJVOFHSA-N	288.750	1.733	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCCNC1	841943105	GDSYSRPGXUXVSE-AWEZNQCLSA-N	290.411	1.646	10	20	CDCD	
CCOc1ccc(O)c(CN[C@@H]2CCCS(=O)(=O)C2)c1	754891005	SAPGQDXDJQMPDK-GFCCVEGCSA-N	299.392	1.458	10	20	CDCD	
Cc1n[nH]c(C)c1CCNC(=O)c1cc(O)cs1	854866748	QQXCAPMTEVCVRY-UHFFFAOYSA-N	265.338	1.766	10	20	CDCD	
Cn1c(=O)oc2cc(/C=C3\SC(=S)NC3=O)ccc21	756628125	SKTUFUNAJOTOCD-UITAMQMPSA-N	292.341	1.620	10	20	CDCD	
C[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)C[C@@H]1O	930160586	SCMVVLNQQAIOPP-CJNGLKHVSA-N	276.380	1.336	10	20	CDCD	
C[C@@H](N[C@@H]1COC[C@@H]1O)c1cc(Cl)ccc1O	866419402	BIPSRAFOOAGPEZ-XXFPWJFMSA-N	257.717	1.456	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@@H]2CCCc3nn[nH]c32)c1	862755835	ZKMXJBLWHXLSLZ-LLVKDONJSA-N	286.335	1.555	10	20	CDCD	
CNC(=O)[C@@H]1CCC[C@H]1NCc1cccc(OC)c1O	765797250	RBYQHCGCDHXZTD-VXGBXAGGSA-N	278.352	1.405	10	20	CDCD	
CCO[C@@H]1C[C@@H](NCc2ccc(C)cc2O)[C@H]1OC	877352444	YHMPIDOPORHYFV-BPLDGKMQSA-N	265.353	1.983	10	20	CDCD	
Cc1cccc(O)c1CN(C)Cc1nnc2c(=O)[nH]ccn12	1119516912	LDXUFUCGSFCVAJ-UHFFFAOYSA-N	299.334	1.064	10	20	CDCD	
COC(=O)[C@@H](C)CN(C)Cc1ccc(C)cc1O	876617249	IGDZRQZYQACRKB-NSHDSACASA-N	251.326	1.942	10	20	CDCD	
Cc1cccc(O)c1CN1CC[C@H]2NC(=O)CC[C@@H]2C1	877629563	VRHYTCKAYJNADX-TZMCWYRMSA-N	274.364	1.801	10	20	CDCD	
CN(C)c1ccc(CN[C@@H](CO)C[C@@H]2CCCO2)cc1F	886226677	PTHRUVOBFCZGRD-KGLIPLIRSA-N	296.386	1.911	10	20	CDCD	
C[C@@H](NC(=O)c1cc(O)cs1)[C@H]1CCCOC1	780782739	UMBUCXOVUYCSNP-BDAKNGLRSA-N	255.339	1.999	10	20	CDCD	
CO[C@@H](C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	891254957	KUMTWZRNRZJUSZ-WFASDCNBSA-N	293.411	1.506	10	20	CDCD	
C[C@H](CNCc1cc(F)cc(F)c1O)S(C)(=O)=O	708535246	KNRMDLHTBQUWID-SSDOTTSWSA-N	279.308	1.193	10	20	CDCD	
COc1ccc(CNC(=O)[C@@H]2CCCCN2C)c(O)c1	794379823	XLWLDYZWUJRFMX-ZDUSSCGKSA-N	278.352	1.501	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)CO[C@H]1CCOC1	1252537884	PHMRVDXMYABFQW-AWEZNQCLSA-N	293.363	1.936	10	20	CDCD	
COC(=O)NC1CN(Cc2cc(F)cc(F)c2O)C1	1334376461	XDNOQHDEAHDQFD-UHFFFAOYSA-N	272.251	1.211	10	20	CDCD	
C[C@H]1C[C@H](NC(=O)NCc2ccc(N)cc2)CCO1	1262578941	CLCUBNBPETUGAI-GXFFZTMASA-N	263.341	1.636	10	20	CDCD	
C[C@@H](N)[C@H]1CCCN(C(=O)NCc2ccc(N)cc2)C1	1262603826	WNLUNRLWMPLHMP-YPMHNXCESA-N	276.384	1.538	10	20	CDCD	
CCC[C@H]1CNCCN1C(=O)NCc1ccc(N)cc1	1262603713	SGCVAAIWVJEOFJ-AWEZNQCLSA-N	276.384	1.552	10	20	CDCD	
O=C(NCc1cccc(O)c1O)[C@@H]1CCc2ncncc2C1	1352668646	CLHAAHYMWSVVAT-SNVBAGLBSA-N	299.330	1.309	10	20	CDCD	
C[C@@H](NC(=O)c1cccc(C(=O)O)n1)c1ccccc1O	1607422876	FKZSPWVBTAPXEI-SECBINFHSA-N	286.287	1.976	10	20	CDCD	
O=C(O)C[C@H]1COCCN1Cc1cc2c(cc1O)CCC2	1601963209	JELIHXWEFJDHPG-AWEZNQCLSA-N	291.347	1.556	10	20	CDCD	
C[C@H](N[C@H]1CC12CC2)c1cccc(-c2nn[nH]n2)c1O	1589954688	INJPDAVAGZHMTG-KWQFWETISA-N	271.324	1.775	10	20	CDCD	
C[C@H](NC[C@@H]1CCCN1)c1cc(C(=O)O)ccc1O	1593254998	ALTKFJCMIPLWRE-ONGXEEELSA-N	264.325	1.493	10	20	CDCD	
O=C(O)[C@@]12C[C@@H](NCc3cc([N+](=O)[O-])ccc3O)[C@@H]1C2	1777658598	PJNDASRIECTBOQ-CWSCBRNRSA-N	278.264	1.253	10	20	CDCD	
CN(CCC(N)=O)Cc1ccc(N2CCCCC2)cc1	16386893	KIPWWJZIROBOQM-UHFFFAOYSA-N	275.396	1.984	10	20	CDCD	
CCOc1ccc(N(C)CCN2C(=O)CCC2=O)cc1	157317257	HBVLSIMQAGQFNP-UHFFFAOYSA-N	276.336	1.671	10	20	CDCD	
C[C@@H]1C[C@H](C(=O)NCc2ccc(N(C)C)cc2)CCN1	235366431	KTXVHZWVXWMERQ-TZMCWYRMSA-N	275.396	1.757	10	20	CDCD	
COc1ccc(O)c(CN[C@@H](C)Cn2ccnc2)c1	37156902	WDYMTPYTINUPLL-NSHDSACASA-N	261.325	1.776	10	20	CDCD	
C[C@H](NCC1(S(C)(=O)=O)CC1)c1ccccc1O	280898840	FQKOHELTOZXLAD-JTQLQIEISA-N	269.366	1.620	10	20	CDCD	
C[C@@H](CN(C)Cc1cc(F)cc(F)c1O)C(=O)O	708216414	SBTKVJZJDZPEOZ-ZETCQYMHSA-N	259.252	1.823	10	20	CDCD	
CNC(=O)C1CCN(Cc2cc(F)cc(F)c2O)CC1	708434923	WUJYCLFWMUGGHC-UHFFFAOYSA-N	284.306	1.628	10	20	CDCD	
O=C(O)[C@H](NCc1ccc2c(c1)CCO2)C1CCC1	399235557	CEEJNPPQWBXERG-CQSZACIVSA-N	261.321	1.964	10	20	CDCD	
CO[C@@H](C)CC(=O)N1CCOc2cc(N(C)C)ccc21	173193521	FKSWNXUGVZLJRA-NSHDSACASA-N	278.352	1.903	10	20	CDCD	
CCOCCC(=O)N[C@H](C)Cc1ccc(O)c(O)c1	183478685	QVBCMOQGTSJLKP-SNVBAGLBSA-N	267.325	1.572	10	20	CDCD	
Cc1nccn1CC(=O)NCc1ccc(N(C)C)cc1	123518418	PCANAZZQMDZYDX-UHFFFAOYSA-N	272.352	1.574	10	20	CDCD	
COCCC[C@@H](C)C(=O)NCCc1ccc(O)c(O)c1	182342754	POKAMYHSQIAMLA-LLVKDONJSA-N	281.352	1.819	10	20	CDCD	
O=C(NCCCSc1nccs1)[C@@H]1CCCO1	78713566	FIVCUOVXXVOXSM-VIFPVBQESA-N	272.395	1.921	10	20	CDCD	
C[C@@H]1CN(Cc2ccccc2O)CCN1CC(C)(C)O	188897675	OURZCNNFUSZCPM-CYBMUJFWSA-N	278.396	1.669	10	20	CDCD	
C[C@@](O)(CNC(=O)c1cccc(O)c1O)c1cccs1	185768853	ZDEWMXBRLJOIIZ-CQSZACIVSA-N	293.344	1.797	10	20	CDCD	
CCN(Cc1cc(Cl)cc(OC)c1O)[C@H]1CCNC1=O	281733290	JJOSHEJGJUKPHR-NSHDSACASA-N	298.770	1.765	10	20	CDCD	
CC(C)[C@H](N)C(=O)NCc1c(O)ccc2c1CCCC2	236767011	ZRMWUIWHVGDEIU-HNNXBMFYSA-N	276.380	1.871	10	20	CDCD	
Cc1cc(C(=O)NC[C@H](C)CO)c(C)n1-c1ccccn1	269564938	RTCHDYVQPBBNNI-NSHDSACASA-N	287.363	1.847	10	20	CDCD	
COc1cc(N2C[C@@H]3[C@@H](CO)[C@@H]3C2)c([N+](=O)[O-])cc1OC	366165208	CEAYCVUBBDQWGM-MYJAWHEDSA-N	294.307	1.287	10	20	CDCD	
Cc1cc(O)c(CN2CCC[C@H](S(N)(=O)=O)C2)cc1C	372746600	WVUNNSAABHHFRZ-ZDUSSCGKSA-N	298.408	1.262	10	20	CDCD	
COC[C@@H]1CN(C(=O)c2ccc(C)c(O)c2O)C[C@H](C)O1	276117634	XYPPWJQKEUDZKZ-QWRGUYRKSA-N	295.335	1.282	10	20	CDCD	
COCC[C@@H](CO)N[C@@H](C)c1ccc(C)cc1O	281521618	HSYNYGMXYILUEQ-RYUDHWBXSA-N	253.342	1.749	10	20	CDCD	
CCCOc1ccc(CN[C@H](CO)CCOC)c(O)c1	282184403	KHIUVYXCVSBIGN-ZDUSSCGKSA-N	283.368	1.668	10	20	CDCD	
Oc1ccccc1CNCCC1(O)CCOCC1	285641861	XSJFNWKWIKEDEE-UHFFFAOYSA-N	251.326	1.413	10	20	CDCD	
C[C@@H](NC(=O)[C@H]1CCC[C@H](C(N)=O)C1)c1ccccc1O	827946473	JDVDWPAFKDNPQN-WOPDTQHZSA-N	290.363	1.861	10	20	CDCD	
CO[C@@H]1CN(Cc2cc(Cl)c(C)cc2O)C[C@H]1O	826084214	YCGMVDUGEYBOPF-CHWSQXEVSA-N	271.744	1.546	10	20	CDCD	
CC1(C)CN[C@H]1C(=O)NCc1ccc(N2CCCC2)cc1	827005568	VTHCKXCJJIAFLL-HNNXBMFYSA-N	287.407	1.901	10	20	CDCD	
O=C(NC[C@H](O)Cc1ccccc1)c1cc(O)cs1	732287514	WCEHOMVXMZPKAU-LLVKDONJSA-N	277.345	1.787	10	20	CDCD	
COC(=O)CC(=O)N1CCOc2cc(N(C)C)ccc21	906854494	FWICHDXJDCMJOE-UHFFFAOYSA-N	278.308	1.041	10	20	CDCD	
CCN(CC)C[C@H](C)NC(=O)c1cc(O)cs1	732279458	MGOXHXRBUJQUJR-VIFPVBQESA-N	256.371	1.914	10	20	CDCD	
N[C@@H](CC(F)F)C(=O)NCc1c(O)ccc2c1CCCC2	830597960	WULABSOMRJEKMY-LBPRGKRZSA-N	298.333	1.870	10	20	CDCD	
CCN1C[C@@H](NC(=O)N(C)Cc2ccccc2O)CC1=O	838678304	ZLOIKVFJGOSCPU-LBPRGKRZSA-N	291.351	1.154	10	20	CDCD	
CC(=O)NCC(C)(C)c1nc(Cc2ccc(N)cc2)no1	844905762	GAMDZARCZKNBFA-UHFFFAOYSA-N	288.351	1.656	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)[C@@]2(O)CCOC2)cc1	840279321	VSSAGUYHMKPOBD-MRXNPFEDSA-N	292.379	1.300	10	20	CDCD	
CN(C)c1ccc([C@@H](N)CN[C@H]2CCCNCC2)cc1	841042696	MKFQYCWEEWPART-HOCLYGCPSA-N	276.428	1.484	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CC[C@@H]2C(N)=O)c1	847591375	UUFJPZPVCMYYDP-LSJOCFKGSA-N	292.335	1.090	10	20	CDCD	
CCn1ncc(C(=O)CSc2nccs2)n1	841668428	PNTMQXOOMLDWJE-UHFFFAOYSA-N	254.340	1.730	10	20	CDCD	
C[C@H](NC(=O)N[C@H](CO)CCF)c1ccc(N(C)C)cc1	845123326	BCKDSMWMJNXZQK-AAEUAGOBSA-N	297.374	1.833	10	20	CDCD	
CO[C@H]1C[C@@H](NC(=O)c2cc(O)cs2)C1(C)C	753341872	NJCXMJQFJVLLMS-ZJUUUORDSA-N	255.339	1.997	10	20	CDCD	
C[C@@H](NC/C=C/CO)c1ccc(N2CCOCC2)c(F)c1	850509405	PPFATYCEVFCJDJ-YWVDXFKGSA-N	294.370	1.861	10	20	CDCD	
CN1CCCc2cc(CNC(=O)[C@H]3C[C@H](N)C3)ccc21	852862544	APHCHBZWDOGVSB-HDJSIYSDSA-N	273.380	1.423	10	20	CDCD	
COc1ccc(N2CCC(N[C@@H]3COC[C@@H]3O)CC2)cc1	865666146	KSOQNKLUUXKUAC-CVEARBPZSA-N	292.379	1.013	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@@H]2CCC[C@H](C(N)=O)C2)c1	862756941	BDUFQFWLGKENQH-NWDGAFQWSA-N	290.363	1.609	10	20	CDCD	
CN1CCN(c2ccc(CNC3(CO)CCC3)cc2)CC1	771845867	JJZMBEWZFNDTRU-UHFFFAOYSA-N	289.423	1.443	10	20	CDCD	
CC(C)COC[C@@H](O)CNCc1cc(F)cc(F)c1O	882917153	FOVKEDSQCABXCW-LBPRGKRZSA-N	289.322	1.794	10	20	CDCD	
COc1ccc(N(C)C[C@H](O)CSC)cc1OC	778071181	FQUQBJVLGSZGBU-NSHDSACASA-N	271.382	1.864	10	20	CDCD	
CCn1cc(CNC(=O)/C=C\c2ccc(O)c(O)c2)cn1	779520093	HLJDTIKOVZADIN-XQRVVYSFSA-N	287.319	1.644	10	20	CDCD	
CS[C@H](C)C(=O)NCCc1ccc(O)c(O)c1	269113528	CCYSLTNNBKNIRB-MRVPVSSYSA-N	255.339	1.508	10	20	CDCD	
CC(C)(O)CCC(=O)NCc1ccc(O)c(O)c1	787448134	AXGSOEROLHQWOJ-UHFFFAOYSA-N	253.298	1.265	10	20	CDCD	
CC[S@@](=O)CCNCc1ccc(OC)c(OC)c1O	892950266	BRCYSBBTOCCSFI-LJQANCHMSA-N	287.381	1.268	10	20	CDCD	
C[C@@H](O)COC(=O)c1csc(Cc2ccc(N)cc2)n1	792132877	HJOYPZUPBMNVPG-SECBINFHSA-N	292.360	1.854	10	20	CDCD	
C[C@@H](O)[C@H]1CCCN(C(=O)c2cccc(O)c2O)C1	688865416	XOGTVUVSXPHYLC-ZJUUUORDSA-N	265.309	1.331	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)COCc2ccncc2)c1	1329280462	BHOOYXDUAOYYTH-UHFFFAOYSA-N	286.331	1.929	10	20	CDCD	
C[C@H](OC(=O)c1cc(O)cs1)C(=O)NCc1ccco1	1322732869	RGPKDCOIUXWEMC-QMMMGPOBSA-N	295.316	1.908	10	20	CDCD	
C[C@H]1CN(C(=O)NCc2ccc(N)cc2)[C@H](C)CN1	1336290220	KCUWQIFZBHBZCU-WDEREUQCSA-N	262.357	1.161	10	20	CDCD	
Nc1ccc(CNC(=O)NC[C@H]2CC[C@H](O)C2)cc1	1337069845	DGQWIFMGLLMGKD-AAEUAGOBSA-N	263.341	1.229	10	20	CDCD	
CC(C)OC[C@H]1CN(Cc2ccc(N)cc2)CCO1	1334774163	FIBCAQQSILCGEY-OAHLLOKOSA-N	264.369	1.895	10	20	CDCD	
C[C@@H](C(=O)NCc1ccc(N(C)C)cc1)[C@H]1CCC(=O)N1	1334909962	WNUZEXYMMFSSCP-BXUZGUMPSA-N	289.379	1.284	10	20	CDCD	
O=C(O)CN(Cc1cc(Cl)ccc1O)C[C@H](O)C1CC1	1608746586	BCEOMJOLHDIZSO-ZDUSSCGKSA-N	299.754	1.703	10	20	CDCD	
C[C@@H](NCCC(=O)NCCC(=O)O)c1cc(F)ccc1O	1604337093	CTBLOUMBVPATOO-SECBINFHSA-N	298.314	1.163	10	20	CDCD	
Nc1ccc(NC(=O)NO[C@@H](CO)C2CCCC2)cc1	1580449288	GMFIASWTCQDIMM-ZDUSSCGKSA-N	279.340	1.873	10	20	CDCD	
CC[C@H](C(=O)O)N(C)Cc1ccc(F)c(F)c1O	1589443672	MWYZVLCCOZRZRX-SECBINFHSA-N	259.252	1.965	10	20	CDCD	
CC[C@@H](C)N(CC(=O)O)C(=O)/C=C\c1ccc(O)c(O)c1	1594972523	WOEXBOOQWQMHID-ONRRBMGISA-N	293.319	1.823	10	20	CDCD	
O=C(O)c1cccc(C(=O)NCc2cccc(O)c2O)c1	1595241356	UACXERBZGQGIEB-UHFFFAOYSA-N	287.271	1.726	10	20	CDCD	
CN(C)c1ccc(CNC(=O)Nc2ncnn2C)cc1	161732435	JOZOCKMPGLKQRU-UHFFFAOYSA-N	274.328	1.203	10	20	CDCD	
CC[C@H](CO)NC(=O)NCCCSc1nccs1	154651879	UHAGBDISESODAS-SECBINFHSA-N	289.426	1.695	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)[C@@H]1CCCNC1=O	208016875	BWLWFPNPOLMWAE-CYBMUJFWSA-N	290.363	1.657	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C[C@H]1COCCO1	827368168	KQDBVQQCMGQQQA-HNNXBMFYSA-N	264.369	1.600	10	20	CDCD	
CC(C)[C@@H](CO)CNC(=O)Cc1ccc(N)cc1	394029925	LAEDPFFUBYFPMR-GFCCVEGCSA-N	250.342	1.192	10	20	CDCD	
CON1CCN(Cc2cc(Cl)cc(C(C)=O)c2O)CC1	846978863	ZHAVCXKAXIQSTP-UHFFFAOYSA-N	298.770	1.927	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1cnccn1	27385319	LPCIJMICYXGBIU-UHFFFAOYSA-N	270.336	1.815	10	20	CDCD	
COc1cccc(CNC(=O)[C@H]2CCCO2)c1O	68488830	UTXXJDWRFPJFPO-LLVKDONJSA-N	251.282	1.196	10	20	CDCD	
CN(C)c1ccc(CNC(=O)COCC2CC2)cc1	60604468	VWEHPHWSRYKMHR-UHFFFAOYSA-N	262.353	1.795	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NCC2(CO)CCOCC2)c1	186149650	BRNNXKCKURAFOY-GFCCVEGCSA-N	295.379	1.841	10	20	CDCD	
COc1cccc(CN[C@H](C)CC[S@](C)=O)c1O	125567607	BWWNHYUNIYSYAO-MLCYQJTMSA-N	271.382	1.648	10	20	CDCD	
O=C1C[C@@H](C(=O)NCCCSc2nccs2)CCN1	121609524	SNCXVPXYRSRKJR-VIFPVBQESA-N	299.421	1.268	10	20	CDCD	
CC(=O)c1cc(F)cc(CNC(C)(C)CC(N)=O)c1O	186235969	LEXGKEKDCLPBDD-UHFFFAOYSA-N	282.315	1.478	10	20	CDCD	
CNC(=O)[C@H](C)N[C@H](C)c1cc(OC)ccc1O	42560490	ZGQRLVWUWQBCEK-BDAKNGLRSA-N	252.314	1.186	10	20	CDCD	
COc1cccc(CNC[C@H]2CCCS(=O)(=O)C2)c1O	290097437	JZKKJGHAPHOUBB-LLVKDONJSA-N	299.392	1.315	10	20	CDCD	
COc1cc(Cl)cc(CN2CCCNCC2)c1O	229102431	KKBHVTFPSHOHEX-UHFFFAOYSA-N	270.760	1.850	10	20	CDCD	
COC(CN(CCCO)Cc1ccc(N(C)C)cc1)OC	193543083	KUZAXFICNHHRHJ-UHFFFAOYSA-N	296.411	1.556	10	20	CDCD	
Cc1ccc(C(=O)NC2(c3nnc[nH]3)CCC2)c(O)c1O	194288858	AIVYJYHZCJWINA-UHFFFAOYSA-N	288.307	1.334	10	20	CDCD	
C[C@@H](CNC(=O)Cc1ccc(N)cc1)Cn1cccn1	237557296	TZYSSVCFFCAGSU-LBPRGKRZSA-N	272.352	1.460	10	20	CDCD	
C[C@@H](NC[C@@H](O)c1cnn(C)c1)c1ccc(F)cc1O	273572768	LCNSBQIEQMDDIA-YMTOWFKASA-N	279.315	1.649	10	20	CDCD	
COC(=O)CCCNC(=O)/C=C/c1ccc(O)c(O)c1	272402920	ICBGDOGEVOPYOP-FNORWQNLSA-N	279.292	1.180	10	20	CDCD	
Cc1ccc(C(=O)NC2=NO[C@H](C)C2)c(O)c1O	272959000	JHEVZAGOFQXKED-SSDOTTSWSA-N	250.254	1.258	10	20	CDCD	
COCCn1cc(CNCc2cccc(C)c2O)cn1	282266099	DCMKOADZOPORIW-UHFFFAOYSA-N	275.352	1.833	10	20	CDCD	
O=C(NCc1ccccc1O)c1cc2n(n1)CCC2	294814685	GGUMETIQKMHYSK-UHFFFAOYSA-N	257.293	1.465	10	20	CDCD	
CCN(Cc1cc(F)cc(C(C)=O)c1O)[C@H](C)CO	292339180	WXAZPFGEXGESCD-SECBINFHSA-N	269.316	1.937	10	20	CDCD	
O=C(NCc1ccccc1O)[C@]1(c2ccccc2)CCNC1	817996857	NKWJMLQDGSDBFI-GOSISDBHSA-N	296.370	1.940	10	20	CDCD	
COCCNCCN[C@H](C)c1cc(OC)ccc1O	817964541	FCIAAZOZHWRNGT-LLVKDONJSA-N	268.357	1.287	10	20	CDCD	
C[C@@H](CC(N)=O)C(=O)N[C@H](C)c1ccccc1O	827947040	ZCQCBLMOKKIKSZ-DTWKUNHWSA-N	250.298	1.081	10	20	CDCD	
O=C(NCC1(CO)CCCC1)c1c(F)ccc(O)c1O	828748213	CUTSBENAHBDGDB-UHFFFAOYSA-N	283.299	1.519	10	20	CDCD	
Cc1ccnn1CC(=O)N[C@H](C)c1ccccc1O	827957064	ROQFSEFISIYBCM-LLVKDONJSA-N	259.309	1.775	10	20	CDCD	
COc1cccc(O)c1CN1CCN(C(=O)C2CC2)CC1	728299507	KXPOHKKRQNTABO-UHFFFAOYSA-N	290.363	1.455	10	20	CDCD	
Cc1ccn(CC(=O)N(C)Cc2ccc(N(C)C)cc2)n1	822264940	HFULJUJETHRVNN-UHFFFAOYSA-N	286.379	1.916	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)[C@H](O)C(C)(C)O	901051193	AHCDUAFDFFIWKK-ZDUSSCGKSA-N	281.352	1.263	10	20	CDCD	
Cc1nccn1CCCC(=O)NCc1ccc(O)cc1O	910954146	HVFJTAXHHYFNQX-UHFFFAOYSA-N	289.335	1.699	10	20	CDCD	
O=C1NC(=S)S/C1=C/c1cnc(N2CCCC2)nc1	915043848	BDKJJAMPHWQLTR-WEVVVXLNSA-N	292.389	1.566	10	20	CDCD	
CC(C)[C@H](C(=O)NCc1ccc(O)cc1O)N(C)C	910950146	DCYQIMRNWRSDRX-CYBMUJFWSA-N	266.341	1.300	10	20	CDCD	
C[C@@H](CN)CNC(=O)NCc1ccc2c(c1)CCCN2C	841760490	WHCNBRYBFBIPQP-LBPRGKRZSA-N	290.411	1.463	10	20	CDCD	
COc1ccc(CNCc2nnn(C(C)(C)C)n2)c(O)c1	848564456	GAYODURHTSTSFZ-UHFFFAOYSA-N	291.355	1.432	10	20	CDCD	
CCc1nc(SCC(=O)C(C)=O)nc(O)c1C	849921918	RCSWXFHTQCSYOT-UHFFFAOYSA-N	254.311	1.303	10	20	CDCD	
CC1(N)CCN(Cc2cc3c(cc2O)OCO3)CC1	843107977	QPGZSPKNUPHJBA-UHFFFAOYSA-N	264.325	1.434	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@H]2CCc3cncn3C2)cc1	844129934	VSXDRYAEZWYCBL-AWEZNQCLSA-N	298.390	1.828	10	20	CDCD	
Oc1c(Br)cccc1CNC[C@H]1CCCN1	841035704	KEAWJYDKSDHTEA-SNVBAGLBSA-N	285.185	1.996	10	20	CDCD	
Fc1cc(CN2CCCNCC2)ccc1N1CCOCC1	843047319	LMIXPFYZPOSGEY-UHFFFAOYSA-N	293.386	1.458	10	20	CDCD	
C[C@H](C[C@H]1CCCN1)NC[C@@H](N)c1ccc(N(C)C)cc1	841042805	PCRVZBLLESNCNN-FRFSOERESA-N	290.455	1.873	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)NC2CNC2)cc1F	841798931	NYSHMKOSVGEADM-UHFFFAOYSA-N	294.374	1.443	10	20	CDCD	
COc1ccc(N(C)CCN(C)[C@H]2CCOC2=O)cc1	844398741	BDNHWFCPFBCZQP-AWEZNQCLSA-N	278.352	1.379	10	20	CDCD	
CCO[C@@H]1COCC[C@H]1NCc1cc2c(cc1O)OCO2	759174485	UFJPWOARZHGPFE-IAQYHMDHSA-N	295.335	1.405	10	20	CDCD	
CN(CSc1ncc(Cl)s1)S(C)(=O)=O	850000345	RIGKSYCUQWHVKP-UHFFFAOYSA-N	272.804	1.738	10	20	CDCD	
COCc1noc([C@H](C)OC(=O)c2cccc(O)c2O)n1	758581896	PGTIPDLVJFXCRY-ZETCQYMHSA-N	294.263	1.545	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NCCNc2cnccn2)c1	756647330	SLZZHQTYMHINTK-LLVKDONJSA-N	288.351	1.954	10	20	CDCD	
CNC(=O)[C@@H]1CCC[C@H]1NCc1c(O)cccc1OC	765794532	DBYUWEQVNRPQIZ-ZYHUDNBSSA-N	278.352	1.405	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)Cn2cc(C)cn2)c1	862758819	MRQBSJICQNKHAN-UHFFFAOYSA-N	259.309	1.522	10	20	CDCD	
CCN(CC)c1ccc(CNC[C@H]2COCCN2)cc1F	863485585	MOYGHONHQXOOKV-AWEZNQCLSA-N	295.402	1.750	10	20	CDCD	
COc1ccc(O)c(CNC(=O)CN2[C@H](C)CC[C@H]2C)c1	769540296	LBGCCIQQNDHGMM-VXGBXAGGSA-N	292.379	1.890	10	20	CDCD	
OCCCN(CCO)Cc1cc(Cl)cc(F)c1O	775692561	LSLRGBYPDKMZIL-UHFFFAOYSA-N	277.723	1.361	10	20	CDCD	
CCOc1cccc(CN2C[C@@H](CO)OC[C@H]2C)c1O	770351105	IQMBCJSMWJQDHI-YPMHNXCESA-N	281.352	1.373	10	20	CDCD	
COCCNCc1ccc(OC)c(Cn2cccn2)c1	873007168	JIIVRMAUHKKHQR-UHFFFAOYSA-N	275.352	1.676	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNCC2(CO)CCC2)c1O	775061610	YHRJKRNYYNZJIM-UHFFFAOYSA-N	296.323	1.561	10	20	CDCD	
CC(C)OC(=O)C(C)(C)NCc1cc2c(cc1O)OCO2	898508510	HNGXRYDMXNRAII-UHFFFAOYSA-N	295.335	1.941	10	20	CDCD	
C[C@H]1OCC[C@]1(C)NCc1cc([N+](=O)[O-])ccc1O	784639419	ICLRCSJYJCHJKS-RNCFNFMXSA-N	266.297	1.958	10	20	CDCD	
C[C@H](N[C@H]1CC(=O)N(C)C1)c1ccc(F)cc1O	273554448	GMRFHZKSSMKWQI-WPRPVWTQSA-N	252.289	1.413	10	20	CDCD	
C[C@@H](NCc1ccc2c(c1)CCO2)c1ncnn1C	276613284	DLIYQTFCNHCTON-SNVBAGLBSA-N	258.325	1.601	10	20	CDCD	
CCN1CCN(Cc2c(O)ccc(Cl)c2F)CC1=O	792175277	RCYDTKJZFNPBHF-UHFFFAOYSA-N	286.734	1.849	10	20	CDCD	
NC(=O)C1(NCc2ccc(N3CCCCC3)cc2)CC1	191482844	RSVGDFLPBYRWLR-UHFFFAOYSA-N	273.380	1.784	10	20	CDCD	
CNC(=O)CCCNCc1c(O)ccc(Cl)c1F	790963083	YMNZQRIDKLXWLS-UHFFFAOYSA-N	274.723	1.801	10	20	CDCD	
C[C@H](NC(=O)c1cnn(C)n1)c1ccc(N(C)C)cc1	790968568	NABYZRLZAOUOJO-JTQLQIEISA-N	273.340	1.372	10	20	CDCD	
COc1ccnc(CNC(=O)c2cccc(O)c2O)c1	790903720	MYSFOCCNPDNGOL-UHFFFAOYSA-N	274.276	1.431	10	20	CDCD	
CC(=O)N1CCC(CNC(=O)Cc2ccc(N)cc2)CC1	1326792218	DWTPDBKSHGHKRZ-UHFFFAOYSA-N	289.379	1.186	10	20	CDCD	
CCOCC[C@@H](NCc1cc(F)cc(F)c1O)C(=O)O	1334853623	SIFYJMOKFWJCBX-LLVKDONJSA-N	289.278	1.640	10	20	CDCD	
CCN(C(=O)Cc1ccc(N)cc1)C(C)(C)C(=O)OC	1345254135	IJFUINIWTGGVPS-UHFFFAOYSA-N	278.352	1.611	10	20	CDCD	
CC1(C)CCN(CCNC(=O)Cc2ccc(N)cc2)C1	1355476054	SOJDSXRFDXCQMK-UHFFFAOYSA-N	275.396	1.659	10	20	CDCD	
Cc1cc(Cn2nnc(CCC(=O)O)n2)ccc1N(C)C	1600222816	XIYSVIFMHJEYPA-UHFFFAOYSA-N	289.339	1.113	10	20	CDCD	
CC[C@H](C)N(CC(=O)O)C(=O)Cc1ccc(O)c(O)c1	1604960743	MZFDINISPFKNKI-VIFPVBQESA-N	281.308	1.352	10	20	CDCD	
Cc1ccc(O)c(CN=c2cc[nH]cc2-c2nn[nH]n2)c1	1581209368	DDIKHFSWVWIXDP-UHFFFAOYSA-N	282.307	1.310	10	20	CDCD	
Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C(=O)O)C2)c(O)c1O	1594344728	NKUKUVCGHDRHDF-PSASIEDQSA-N	293.319	1.589	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H](CC)C(=O)O	1596587851	YKXHZUAYFHTKPL-VIFPVBQESA-N	286.324	1.605	10	20	CDCD	
C[C@H](NC(=O)Cc1ccc(N)cc1)C(=O)NC(C)(C)C	134453504	NEMCIOVVRCRQRH-JTQLQIEISA-N	277.368	1.231	10	20	CDCD	
Cc1nn(C)c(C)c1C(=O)NCCc1ccc(O)c(O)c1	156631979	ZUCYWPGJUDGKMI-UHFFFAOYSA-N	289.335	1.421	10	20	CDCD	
CCC[C@H](O)CCNC(=O)Nc1ccc(N)cc1	926141034	CVZVNSJNYOVOSX-LBPRGKRZSA-N	251.330	1.941	10	20	CDCD	
COC[C@@H](C)OC[C@H](O)CNc1ccccc1OC	234872801	HNSGURNXVQLIHX-VXGBXAGGSA-N	269.341	1.520	10	20	CDCD	
COc1ccc(N(C)CC(=O)NCC(F)(F)F)cc1	844353728	XTXYLTYOAQKTEY-UHFFFAOYSA-N	276.258	1.810	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@H]2C[C@@H](N)C2(C)C)cc1	876713830	UJCBKEBFFHXGJF-UONOGXRCSA-N	275.396	1.742	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC2CCS(=O)(=O)CC2)c1	36331539	LEVUSXAYHHILLS-SNVBAGLBSA-N	299.392	1.629	10	20	CDCD	
COC[C@H]1CN(Cc2cc(OC)ccc2O)CCO1	180327508	HALRJXSHMOKFEW-CYBMUJFWSA-N	267.325	1.248	10	20	CDCD	
C[C@]1(CO)CCCN(C(=O)c2cccc(O)c2O)C1	688068790	VTFFGSDUABQWCO-AWEZNQCLSA-N	265.309	1.332	10	20	CDCD	
Nc1ccc(NC(=O)N2C[C@H]3[C@H](C2)C3(F)F)cc1	715462397	UOWSRQBBERANFJ-UWVGGRQHSA-N	253.252	1.998	10	20	CDCD	
COc1cc(N2C[C@@H](C)[C@@H](O)C2)c([N+](=O)[O-])cc1OC	387894040	QFXVCYHMWQDXHV-KCJUWKMLSA-N	282.296	1.429	10	20	CDCD	
COC[C@](C)(O)CN[C@H](C)c1cc(C)ccc1O	394590189	IDZKMTRLWNKBOY-BXUZGUMPSA-N	253.342	1.749	10	20	CDCD	
O=C(O)CNCc1cc(Cl)cc(Cl)c1O	36723005	JDIXLIYHBIXGNT-UHFFFAOYSA-N	250.081	1.873	10	20	CDCD	
C[C@H]1C[C@@H](NC(=O)c2cccc(O)c2O)CN1C1CC1	185819923	AWOWDZAFPOIYCB-VHSXEESVSA-N	276.336	1.453	10	20	CDCD	
CCOc1cccc(CN2CC[C@@](C)(O)C2)c1O	180189998	IWSYANQPPFCVNO-CQSZACIVSA-N	251.326	1.748	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)Nc1nccn(C)c1=O	182720996	QCRZPYSXSHZYAX-UHFFFAOYSA-N	288.307	1.150	10	20	CDCD	
C[C@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)S(C)(=O)=O	47797524	XQDFIMRWCFGJFY-LLVKDONJSA-N	298.408	1.144	10	20	CDCD	
NCCCC(=O)NCc1ccc(N2CCCC2)cc1	195171476	MSEXDWOFUTWWDM-UHFFFAOYSA-N	261.369	1.642	10	20	CDCD	
CCn1cc(/C=C2\SC(N3CCOCC3)=NC2=O)cn1	96569103	OYUCGMDHHGCHID-XFFZJAGNSA-N	292.364	1.206	10	20	CDCD	
C[C@@]1(CNC(=O)Cc2ccc(N)cc2)CCCC[C@@H]1O	237530205	LVSVOYGOXZQIBS-HOCLYGCPSA-N	276.380	1.869	10	20	CDCD	
COC(=O)[C@H]1CN(Cc2cc(C)ccc2O)C[C@@H](C)O1	92013978	QYBQYZKZMGAFJW-BXUZGUMPSA-N	279.336	1.463	10	20	CDCD	
COc1ccc(O)c(CNCC2(OC)CCOCC2)c1	182655039	ZKCLGTXVJVWNQT-UHFFFAOYSA-N	281.352	1.686	10	20	CDCD	
Cn1ncc(C(=O)NCCc2ccc(N)cc2)c1C1CC1	269154430	ZPWWPAOQWVOLAC-UHFFFAOYSA-N	284.363	1.852	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N2CCCCO2)cc1	282802310	OODZSLXJAQSWDC-UHFFFAOYSA-N	263.341	1.990	10	20	CDCD	
CC(C)[C@H](CO)CNC(=O)NCc1ccc(N(C)C)cc1	806325313	QGAHUJSQZMUIIH-AWEZNQCLSA-N	293.411	1.816	10	20	CDCD	
Oc1cccc2c1[C@@H](NC[C@@H](O)C1CCOCC1)CC2	296733223	JBRGYAPUJQYNIO-DZGCQCFKSA-N	277.364	1.757	10	20	CDCD	
Cc1nc(C(C)(C)NC(=O)c2cccc(O)c2O)no1	298393970	QFGLQUYFSZDLQR-UHFFFAOYSA-N	277.280	1.454	10	20	CDCD	
C[C@H](CN1CCN(C)CC1)N[C@@H]1CCc2cccc(O)c21	297806986	QQBMDQKQEBRXLS-UKRRQHHQSA-N	289.423	1.605	10	20	CDCD	
C[C@@H](NCc1cc(Br)cc(F)c1O)C(=O)O	715719159	QHGWFHPEKNVVNS-RXMQYKEDSA-N	292.104	1.857	10	20	CDCD	
C[C@H](NC[C@@H]1C[C@H](F)CN1)c1cc([N+](=O)[O-])ccc1O	817976893	WNOZAMKKJMDJIV-GUBZILKMSA-N	283.303	1.651	10	20	CDCD	
COC(=O)CN(C)Cc1cc(Cl)c(C)cc1O	824567705	UJWVGNPVHSLNOH-UHFFFAOYSA-N	257.717	1.959	10	20	CDCD	
Cc1ccc(C(=O)O[C@H](C(N)=O)C(C)C)c(O)c1O	727003922	FRQDZZXYNPPGNP-NSHDSACASA-N	267.281	1.073	10	20	CDCD	
O=C1O[C@H]2C[C@H]1N(Cc1cc(Cl)ccc1O)C2	824626038	TXSCXYHIENUCGA-VHSXEESVSA-N	253.685	1.545	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)[C@@H]2C[C@@H]2C(=O)O)cc1	737089353	SXUHDCFZSSDVRO-KGLIPLIRSA-N	290.363	1.870	10	20	CDCD	
C[C@H](NC(=O)c1cc(O)cs1)C1=CCN(C)CC1	831937143	RCOVCTUIPKGLFN-VIFPVBQESA-N	266.366	1.834	10	20	CDCD	
COc1cccc(CNC(=O)N[C@@H](C)C[C@@H](C)N)c1O	831212896	XVUCLDGRKXQTHB-ZJUUUORDSA-N	281.356	1.326	10	20	CDCD	
O=C(NCCn1ccnc1)NCc1ccccc1O	748452158	ZOMPYNTVVWZJJJ-UHFFFAOYSA-N	260.297	1.088	10	20	CDCD	
C[C@@H](CN)CNC(=O)NCc1ccc(N2CCCC2)cc1	841709900	OWNCKBNAGCWYOS-ZDUSSCGKSA-N	290.411	1.681	10	20	CDCD	
CN(C)c1ccc(CNC[C@H]2CNCCCO2)cc1F	841087305	UHSUHPCTTHZSAG-CYBMUJFWSA-N	281.375	1.360	10	20	CDCD	
CN1CC(=O)N[C@@H]1c1cccc(Br)c1O	917500507	OEMGNZFTHCYVCP-JTQLQIEISA-N	271.114	1.215	10	20	CDCD	
COC(=O)[C@H]1C[C@H](O)CN(Cc2cccc(Cl)c2O)C1	843434098	HPJNXJDGEWEWJP-QWRGUYRKSA-N	299.754	1.401	10	20	CDCD	
CCNC(=O)C1(CNC(=O)Nc2ccc(N)cc2)CCC1	841297464	QLCKPYYARGKLIG-UHFFFAOYSA-N	290.367	1.697	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@H]2CCNC2(C)C)c1O	841088359	ZHORWFMJICOOFC-NSHDSACASA-N	295.339	1.539	10	20	CDCD	
COc1cccc([C@H](C)N[C@@H]2CCC[C@H]2O)c1O	846170307	WRAMTCBTUZZEDJ-MVWJERBFSA-N	251.326	1.965	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@H]2CC[C@H]2C(N)=O)cc1F	847405858	SZMLSKIBDKRUHN-MNOVXSKESA-N	293.342	1.019	10	20	CDCD	
CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(N)cc2)[C@H](C)CO1	846320446	BGQAYZLAXCVDPS-ZWNOBZJWSA-N	291.351	1.233	10	20	CDCD	
COc1cc(O)c(CN2C[C@H](CN)C[C@@H]2C)cc1OC	843057855	MNFMNHSFAJHDEH-QWRGUYRKSA-N	280.368	1.579	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCNC1	841938537	FLNBXSDUEBSNGO-CYBMUJFWSA-N	276.384	1.256	10	20	CDCD	
CC[C@@H](N[C@@H](C)C(=O)N(C)OC)c1ccccc1O	858580380	ZCDRWAXVIUNTAT-CMPLNLGQSA-N	266.341	1.841	10	20	CDCD	
CCN(C)C(=O)[C@@H](C)NCc1cc(F)c(N(C)C)cc1F	858159753	FAWABAVYYXVZGK-SNVBAGLBSA-N	299.365	1.987	10	20	CDCD	
C[C@@H](NC[C@@]1(O)CCSC1)c1cc([N+](=O)[O-])ccc1O	756637566	NUUDHXWOPSETQM-RNCFNFMXSA-N	298.364	1.819	10	20	CDCD	
CCCCN(Cc1ccccc1O)C(=O)[C@H]1CC(=O)N1	854373295	CYPUHFLJSODOCY-GFCCVEGCSA-N	276.336	1.409	10	20	CDCD	
C[C@@H](NC(=O)NCc1cncn1C)c1ccccc1O	868623608	KKXVNLLCIWCGRA-SNVBAGLBSA-N	274.324	1.686	10	20	CDCD	
COc1cccc(CN2CCN(CCCCO)CC2)c1O	769394134	IZKFZKZWFAHXLI-UHFFFAOYSA-N	294.395	1.291	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)c2cc3n(n2)CCC3)c1	862754644	HZQDARAWBVQDSY-UHFFFAOYSA-N	271.320	1.773	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2cnc3[nH]cnc3c2)c1	764265445	ORLFCWAFBKVOME-UHFFFAOYSA-N	298.302	1.602	10	20	CDCD	
COCCN(C(=O)Cc1ccc(N)cc1)C1CCOCC1	868044801	RNTBJSFWCFCMBQ-UHFFFAOYSA-N	292.379	1.465	10	20	CDCD	
COC[C@](C)(O)C(=O)NCc1c(O)ccc2c1CCCC2	769564329	VDYOWLWOLRJPBS-INIZCTEOSA-N	293.363	1.285	10	20	CDCD	
Cc1nn(C)cc1CC(=O)NCCc1ccc(N)cc1	876528219	SYJBXOBJPDZBSJ-UHFFFAOYSA-N	272.352	1.212	10	20	CDCD	
CCc1cc(C(=O)NCCc2ccc(O)c(O)c2)nn1C	1116526234	VDQZCJSONVJRIN-UHFFFAOYSA-N	289.335	1.366	10	20	CDCD	
COCCN(CC(=O)OC)Cc1c(C)cccc1O	876738260	ZUGHAGWUDXRHBZ-UHFFFAOYSA-N	267.325	1.322	10	20	CDCD	
C[C@@H]([C@@H](C)NCc1ccc(N)cc1)N1CCOCC1	1120370614	CFFVSAZCTTZCRI-OLZOCXBDSA-N	263.385	1.468	10	20	CDCD	
C[C@@H]1CCC(=O)CN1C(=O)/C=C\c1ccc(O)c(O)c1	885084812	QGQAXXQKYQDLIW-ISGFRBBESA-N	275.304	1.691	10	20	CDCD	
C[C@@H]1C[C@H](NC(=O)N(C)Cc2ccccc2O)C(=O)O1	896332340	MVADYYGHXLUCHY-KOLCDFICSA-N	278.308	1.238	10	20	CDCD	
COc1cc(C)cc(CN[C@H](C)CC[S@@](C)=O)c1O	894332931	KIMXGOJKSSBMKF-NSPYISDASA-N	285.409	1.956	10	20	CDCD	
CC(C)Oc1ccc(N(C)CCOCCO)cc1	191581017	OCUMLIJYDASNHX-UHFFFAOYSA-N	253.342	1.919	10	20	CDCD	
COC[C@H](NC(=O)c1cc(O)cs1)[C@@H]1CCCO1	791043121	YVNARAQGKNFULY-UWVGGRQHSA-N	271.338	1.378	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)c1cn2c(n1)CCCC2	799698297	SWRKBZXFPAASQN-UHFFFAOYSA-N	287.319	1.561	10	20	CDCD	
CCOc1cccc(CN2CC[C@H](N)[C@H](C)C2)c1O	94338957	JIUNNCYRRLJJGT-YPMHNXCESA-N	264.369	1.960	10	20	CDCD	
Cc1ccc(N2CC=C(CCNC(=O)C3CC3)CC2)nn1	1089803192	BAIFPTWRQIAFTR-UHFFFAOYSA-N	286.379	1.838	10	20	CDCD	
Nc1ccc(CN2C[C@@H]3CCC[C@]3(C(=O)O)C2)cc1	1608272447	GHNRNEPSJQIUBI-WFASDCNBSA-N	260.337	1.956	10	20	CDCD	
CSC[C@H](C)NC(=O)C(=O)N(C)Cc1ccccc1O	1326838685	TZYORXQFNXGDLF-JTQLQIEISA-N	296.392	1.218	10	20	CDCD	
Cc1ccc(NCCNC(=O)NCc2ccc(N)cc2)nc1	1335646036	RLVFYQKMEVMXEZ-UHFFFAOYSA-N	299.378	1.884	10	20	CDCD	
CN(C(=O)[C@@H]1CCc2cncn2C1)c1ccc(N)cc1	1522215810	GQWYKJNGIAVEOX-LLVKDONJSA-N	270.336	1.691	10	20	CDCD	
CCc1cccc(CN(CCC(=O)OC)CC(=O)O)c1O	1603975224	PKELQAPIPNAJPI-UHFFFAOYSA-N	295.335	1.404	10	20	CDCD	
CN(C)c1ccc(CNCCCC(=O)NC2CC2)cc1	112346202	GAQCDJZDCSZGTN-UHFFFAOYSA-N	275.396	1.901	10	20	CDCD	
Oc1cc2c(cc1CN1CCO[C@@H]3CCC[C@H]31)OCO2	228966762	GAVQQFZQLGRGJB-DGCLKSJQSA-N	277.320	1.874	10	20	CDCD	
C[C@](CCF)(NCc1cc(F)ccc1O)C(=O)O	1592505362	AQLUERKCQQCEFL-GFCCVEGCSA-N	259.252	1.824	10	20	CDCD	
CN(C)c1ccc(OCc2csnn2)cc1C(=O)O	1598330328	UEDQPMMMDLPFRL-UHFFFAOYSA-N	279.321	1.881	10	20	CDCD	
CN(C)c1ccc(CNCCCOCC(=O)O)cc1	1777040030	JCBCNHXCLQSLGV-UHFFFAOYSA-N	266.341	1.334	10	20	CDCD	
CC(C)(C)CC(=O)NCC(=O)NCCc1ccc(N)cc1	152535593	IJKIKCJQMYILBY-UHFFFAOYSA-N	291.395	1.480	10	20	CDCD	
CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)Cc1ccc(N)cc1	159540252	CRWQJEYYLGSQDS-YUELXQCFSA-N	274.364	1.741	10	20	CDCD	
COc1ccc(CNC(=O)c2cccc(O)c2O)cn1	126398439	RLKJWTVQKBIZHG-UHFFFAOYSA-N	274.276	1.431	10	20	CDCD	
CCOc1cccc(CNC2CCN(C)CC2)c1O	37267144	WKZJIJGSRMJFGA-UHFFFAOYSA-N	264.369	1.975	10	20	CDCD	
Oc1ccc(F)cc1CN1CC[C@]2(CCNC2)C1	310866887	PXMMARKXAITJNC-AWEZNQCLSA-N	250.317	1.717	10	20	CDCD	
CN(C)c1ccc(CN2CC[C@H]3NCC[C@H]3C2)cc1	312074872	JCIRISZGLDBBSY-GOEBONIOSA-N	259.397	1.936	10	20	CDCD	
C[C@@H]1CSC[C@H]1NCc1cc2c(cc1O)OCO2	397964283	JJBFMYITOIOIAQ-PSASIEDQSA-N	267.350	1.962	10	20	CDCD	
COc1cccc(CNC(=O)NCc2nccs2)c1O	174102407	ALHDULTWDZDFPT-UHFFFAOYSA-N	293.348	1.857	10	20	CDCD	
Cc1cc(C(=O)NCC2(CO)CC2)c(C)n1-c1ccccn1	305050450	CXIMDYZGIIUZSE-UHFFFAOYSA-N	299.374	1.991	10	20	CDCD	
CCOC(C)(C)CNC(=O)c1ccc(C)c(O)c1O	188359304	YRZZKSKNRDKIDJ-UHFFFAOYSA-N	267.325	1.951	10	20	CDCD	
COC1(CNCc2ccc3c(c2)CCO3)CCOCC1	123145085	YHBUCDJFZVRHNF-UHFFFAOYSA-N	277.364	1.907	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@H]2CC23CCNCC3)cc1	70255213	ZCULHKNQHDUZJP-OAHLLOKOSA-N	287.407	1.759	10	20	CDCD	
COc1cc(Cl)cc(CNCC(C)(C)O)c1O	184708198	SGNZAOWTHMVDOE-UHFFFAOYSA-N	259.733	1.915	10	20	CDCD	
C[C@@H]1CCN(Cc2cc3c(cc2O)OCO3)[C@@H]1CO	191186600	FHELQBJHGGELLY-MWLCHTKSSA-N	265.309	1.324	10	20	CDCD	
COc1cccc(CN[C@H](CCO)C(C)C)c1O	230690056	SAHGYRNIJDIZKL-GFCCVEGCSA-N	253.342	1.897	10	20	CDCD	
Oc1cc2c(cc1CN[C@@H]1CCN3CCC[C@H]3C1)OCO2	252667303	IKDXCZYCSUBXDV-OLZOCXBDSA-N	290.363	1.837	10	20	CDCD	
COCCn1ccc(NC(=O)NCc2ccccc2O)n1	263760454	YBUGVLFZPFJVAO-UHFFFAOYSA-N	290.323	1.557	10	20	CDCD	
CC(=O)c1cc(F)cc(CN(C)[C@@H](C)C(=O)O)c1O	269299476	PRGQKMKXFKOQPU-ZETCQYMHSA-N	269.272	1.639	10	20	CDCD	
COC(=O)C1(CNCc2cc(OC)c(OC)cc2O)CC1	275353373	ZSNYGBMZQSVAAX-UHFFFAOYSA-N	295.335	1.452	10	20	CDCD	
CO[C@H]1COC[C@@H]1N[C@H](C)c1cc(F)ccc1O	290268718	VXZNWLJLSFSXRG-WLTAIBSBSA-N	255.289	1.596	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N[C@H]2CC[C@@H](CO)C2)cc1	296415141	RGGMUKZBTHAWEM-KGLIPLIRSA-N	291.395	1.713	10	20	CDCD	
CN(C)CCN(CCN(C)C)Cc1cc(F)ccc1O	809741690	SNZUSDUQHZXUKZ-UHFFFAOYSA-N	283.391	1.457	10	20	CDCD	
CN(Cc1cc(Cl)cc(F)c1O)Cc1nncn1C	809777329	LHCJGZAOWRRBOG-UHFFFAOYSA-N	284.722	1.945	10	20	CDCD	
COC[C@H](NC(=O)c1c(F)ccc(O)c1O)[C@H]1CCCO1	296467398	XQKPJXRZWUWAKK-GXSJLCMTSA-N	299.298	1.161	10	20	CDCD	
C[C@@H]1CCNC[C@@H]1NC[C@H](N)c1ccc(N(C)C)cc1	817941053	IKSXHLUOESWQSM-KCXAZCMYSA-N	276.428	1.340	10	20	CDCD	
C[C@@H]1C[C@@H](CO)CN(C(=O)c2cc(O)cs2)C1	817766819	RVVPTOFAVVGKEU-RKDXNWHRSA-N	255.339	1.544	10	20	CDCD	
COC[C@H](C)[C@H](C)C(=O)NCc1ccccc1O	812489740	BUNQZSZMSUPMCM-QWRGUYRKSA-N	251.326	1.927	10	20	CDCD	
CNC(=O)[C@@H]1CN(Cc2cc(Cl)c(C)cc2O)CCO1	825479435	NYTPTNIMLKYILT-ZDUSSCGKSA-N	298.770	1.301	10	20	CDCD	
CCNC(=O)NC1CCN(c2ccc(OC)cc2)CC1	726610629	MVGFLQAANUPQQE-UHFFFAOYSA-N	277.368	1.983	10	20	CDCD	
Oc1cc(Br)ccc1CN1CC[C@@H](O)C1	824547943	FHAGSOIQAJYLQM-SNVBAGLBSA-N	272.142	1.721	10	20	CDCD	
COCCN(CC(=O)O)Cc1cccc(C)c1O	820723488	KEJJZUBZGBVWQY-UHFFFAOYSA-N	253.298	1.234	10	20	CDCD	
OCCCN1CCC[C@@H]1CNCc1ccc2c(c1)CCO2	824558991	BRYLPGWJZUELSU-MRXNPFEDSA-N	290.407	1.558	10	20	CDCD	
CN(C)c1ccc([C@H](N)CNC2CC(CN)C2)cc1	904354425	XWDJBUFGNMMLCI-ABIUDSBCSA-N	262.401	1.079	10	20	CDCD	
O=C(Nc1nc2n(n1)CCCC2)c1cc(O)cs1	839792950	QPZZRSZTVBUVNC-UHFFFAOYSA-N	264.310	1.634	10	20	CDCD	
Cc1ccc(O)c(CN[C@@H]2C[C@H]3CCCCN3C2=O)c1	835071943	AGLJCRDYRVIQOQ-ZIAGYGMSSA-N	274.364	1.944	10	20	CDCD	
CO[C@H](C1CC1)[C@@H](C)NC(=O)c1cc(O)cs1	839786084	BNZMRMKKMHPVBC-HQJQHLMTSA-N	255.339	1.997	10	20	CDCD	
Cc1nn(C)cc1[C@@H](C)NC(=O)c1cc(O)cs1	732285206	WRYTZYZVUGNXNR-SSDOTTSWSA-N	265.338	1.987	10	20	CDCD	
Cc1n[nH]cc1C(=O)NC[C@H](N)c1ccc(N(C)C)cc1	832278912	GIOMUXLPJJYTKK-AWEZNQCLSA-N	287.367	1.214	10	20	CDCD	
CN(C(=O)/C=C\c1cnn(C)c1)c1ccc(Cl)nn1	740669152	AZUGBNRAKGIJRX-UTCJRWHESA-N	277.715	1.540	10	20	CDCD	
CCc1cccc(CN[C@H](CO)c2cnn(C)c2)c1O	848900618	OPCHWWZEDDURKA-CQSZACIVSA-N	275.352	1.511	10	20	CDCD	
Oc1c(Cl)cccc1CNC[C@@H]1CNCCO1	841098143	DKYCLZHVUPSCFG-JTQLQIEISA-N	256.733	1.124	10	20	CDCD	
CCOc1ccc(O)c(CNC[C@H]2CCCN2)c1	841035797	MNICAGBKUDUOFG-GFCCVEGCSA-N	250.342	1.633	10	20	CDCD	
N[C@@H]1CCC[C@@H]2CN(Cc3cc4c(cc3O)OCO4)C[C@H]21	843059903	UGDAGKSQQOVDGJ-RAIGVLPGSA-N	290.363	1.680	10	20	CDCD	
COc1cc(C)cc(CN2CCC[C@H](O)C2)c1O	915794283	NTQITVIFXMQCDL-LBPRGKRZSA-N	251.326	1.666	10	20	CDCD	
CCc1cccc(CN[C@@H](CO)[C@@H]2CCCOC2)c1O	848916379	GUZPAJQWEMESNA-CABCVRRESA-N	279.380	1.832	10	20	CDCD	
COc1cccc([C@@H](C)NCCNc2cnccn2)c1O	846151214	VMGDNQFFCKDBRS-LLVKDONJSA-N	288.351	1.954	10	20	CDCD	
C[C@@H](NC(=O)N(C)Cc1ccccc1O)[C@H]1CCCNC1	841929221	UYQPAEWMBSVCRK-OLZOCXBDSA-N	291.395	1.922	10	20	CDCD	
COc1cccc([C@H](C)NCC2([S@](C)=O)CC2)c1O	846169209	YLEPSGPLXGATRU-OVWNDWIMSA-N	283.393	1.963	10	20	CDCD	
COc1cc(O)c(CN2CC[C@@H](N)C[C@H]2C)cc1OC	846704192	SEBVHONTJIRYEI-ZYHUDNBSSA-N	280.368	1.721	10	20	CDCD	
CC[C@@H](CN1CCOCC1)NCc1cccc(OC)c1O	922589160	HVVPWZPSRKPSHW-AWEZNQCLSA-N	294.395	1.601	10	20	CDCD	
CC[C@@H]1CC[C@H](C)N1C(=O)C(=O)Nc1ccc(N)cc1	841113864	WIOJYMURGGNNHQ-GXFFZTMASA-N	275.352	1.997	10	20	CDCD	
CCOc1ccc(CN[C@@H]2COC[C@@H]2C)c(O)c1	922641457	LTCBOJNBBFDEHM-GXFFZTMASA-N	251.326	1.915	10	20	CDCD	
COc1ccc(O)c(CNc2ncnc3nccnc23)c1	752636004	SXOJNJICXGRHPF-UHFFFAOYSA-N	283.291	1.746	10	20	CDCD	
CC[C@H](C)[C@H](NC(=O)c1cc(O)cs1)C(N)=O	925089436	DFOSWOZOZVTPBS-RCOVLWMOSA-N	256.327	1.084	10	20	CDCD	
COc1ccc(N(Cc2nc(=O)n(C)[nH]2)C(C)C)cc1F	754059272	SAVALISWJGEPKG-UHFFFAOYSA-N	294.330	1.671	10	20	CDCD	
Cc1cc(NC(=O)c2cc(O)cs2)cn(C)c1=O	768396698	SKVDUFPFFWIYGT-UHFFFAOYSA-N	264.306	1.713	10	20	CDCD	
O=C(CCn1cccc1)NCCc1ccc(O)c(O)c1	762268492	IGVYYZTXPWEZBO-UHFFFAOYSA-N	274.320	1.648	10	20	CDCD	
O=C(NCCCCN1CCC[C@@H]1CO)c1cc(O)cs1	765253372	RFDOHBQNHZZWTC-LLVKDONJSA-N	298.408	1.420	10	20	CDCD	
CC[C@](C)(O)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	935312772	YWFXGARYFJKZKK-OTYXRUKQSA-N	267.325	1.306	10	20	CDCD	
CCc1cc(C(=O)NCc2cc(C)ccc2O)n[nH]1	862759922	NBTDFSHZVINOTP-UHFFFAOYSA-N	259.309	1.916	10	20	CDCD	
CC[C@]1(C(=O)N(C)c2ccc(N)cc2)CCNC1=O	877076843	RTZRYNJFCDSNFO-AWEZNQCLSA-N	261.325	1.148	10	20	CDCD	
COC(=O)[C@H]1C[C@@H](O)CN(Cc2c(C)cccc2O)C1	877607386	ACQHYCFALZZBDF-NWDGAFQWSA-N	279.336	1.056	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@H]2C[C@@H]2F)cc1F	1120960507	DYABWKPKFAGQPO-ZJUUUORDSA-N	254.280	1.866	10	20	CDCD	
C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)NCc1ccc(N)cc1	1120677810	XIPXWTTXWMINEX-DOMZBBRYSA-N	290.411	1.750	10	20	CDCD	
Cc1c(NCc2ccc(N3CCOCC3)cc2)nnn1C	883231993	YMERWJILTLNMME-UHFFFAOYSA-N	287.367	1.572	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H]1CCC=CO1	781487895	OYMJFGLMGUEARS-PZBABLGHSA-N	275.304	1.920	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NCC[C@H](O)C1CC1	890719323	DSLGVDYKEDIZIM-QSLRECBCSA-N	277.320	1.388	10	20	CDCD	
CCNC(=O)[C@@H](NCc1cc(C)cc(OC)c1O)C(C)C	894857143	AWUTUKDHQMVRCC-AWEZNQCLSA-N	294.395	1.960	10	20	CDCD	
C[C@@]1(CO)C[C@@H](O)CN1Cc1cc(Cl)cc(F)c1O	895328907	HLFXFETWLAVVRW-MFKMUULPSA-N	289.734	1.502	10	20	CDCD	
COc1ccc(CNC(=O)CCc2cnn(C)c2)c(O)c1	794371167	XQJNCGQLKZARHP-UHFFFAOYSA-N	289.335	1.383	10	20	CDCD	
COCCN1CC[C@@H](N[C@H](C)c2cc(F)ccc2O)C1	273371041	CKMOZWBKFUUMPA-DGCLKSJQSA-N	282.359	1.903	10	20	CDCD	
COC[C@H](O)CCN[C@H](C)c1cc(C)ccc1O	186202537	HJENLGGFOLCSLP-VXGBXAGGSA-N	253.342	1.749	10	20	CDCD	
Cc1ccc([C@@H](C)NC[C@]2(O)CCN(C)C2)c(O)c1	702637001	RJKPIHJOWGKFDJ-IUODEOHRSA-N	264.369	1.418	10	20	CDCD	
CCCN(Cc1ccccc1O)Cc1nncn1C	170779100	WRIBMGIWAULMMT-UHFFFAOYSA-N	260.341	1.933	10	20	CDCD	
C[C@@H]1CN(C(=O)c2cc(O)cs2)C[C@]2(CCO[C@@H]2C)O1	791071362	YVAVZHYMICNTDW-RULNRJAQSA-N	297.376	1.862	10	20	CDCD	
COc1cccc(CNC[C@@H](CO)[C@H]2CCOC2)c1O	795582153	IWAXQVGWGXFCFC-STQMWFEESA-N	281.352	1.135	10	20	CDCD	
CCN1CC(=O)N[C@@H]1c1ccc(N2CCCC2)cc1	1320662201	PBVOYOANSHQGMW-HNNXBMFYSA-N	259.353	1.737	10	20	CDCD	
CN1CCN(c2ccc(CNC3(C)COC3)cc2F)CC1	1330652941	SXTXTAJDXWULSG-UHFFFAOYSA-N	293.386	1.456	10	20	CDCD	
CC[C@@H](N)CNCc1ccc(N2CCN(C)CC2)c(F)c1	1345103931	JIHNMXAUCPVEIT-CQSZACIVSA-N	294.418	1.404	10	20	CDCD	
COC[C@@H](NC(=O)NCc1ccc(N)cc1)C1CC1	1353379399	YVHOYIYPDJROJZ-CYBMUJFWSA-N	263.341	1.493	10	20	CDCD	
O=C(O)[C@@]12C[C@@H](NCc3cccc(F)c3O)C[C@@H]1C2	1602208013	OLFNWCUEUCTWDZ-BFVZDQMLSA-N	265.284	1.874	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1C[C@H](N)C1	1579617657	SXUNOPRLTBUPLY-JOCQHMNTSA-N	276.384	1.350	10	20	CDCD	
CC1(C(=O)O)CCN(C(=O)c2c(F)ccc(O)c2O)CC1	1589193761	YMKRNEZGCPZZAT-UHFFFAOYSA-N	297.282	1.564	10	20	CDCD	
CCCCS(=O)(=O)NCc1cc(OC)ccc1O	151355314	IHQQLBKFSSASTH-UHFFFAOYSA-N	273.354	1.620	10	20	CDCD	
CC[C@@H](O)[C@@H]1CCCCN1C(=O)c1cccc(O)c1O	912119393	PDPZARGLIKJCOI-NWDGAFQWSA-N	279.336	1.863	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCC[C@H](CCO)C1	126616694	NRCXXHIZIZAZSP-SNVBAGLBSA-N	265.309	1.332	10	20	CDCD	
CN1CCN(CCCNCc2cc(Cl)ccc2O)CC1	20128442	QPBXOYHHCKNFFF-UHFFFAOYSA-N	297.830	1.773	10	20	CDCD	
Nc1ccc(CC(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)cc1	252671485	VXLLPVVEJUPFCJ-ZNMIVQPWSA-N	274.364	1.885	10	20	CDCD	
Cc1nc([C@H](C)NCc2cc3c(cc2O)OCO3)n[nH]1	392441840	DTFKFYMIEWGXJF-ZETCQYMHSA-N	276.296	1.398	10	20	CDCD	
COc1ccc(O)c(CNC(=O)CCOC(C)C)c1	114544108	XGBZFNAFFORRIL-UHFFFAOYSA-N	267.325	1.832	10	20	CDCD	
CN1CCCc2cc(CNC(=O)c3cnns3)ccc21	69960506	PDHPRUJLPQXPJG-UHFFFAOYSA-N	288.376	1.851	10	20	CDCD	
O=C(Cc1ccn[nH]1)NCc1c(O)ccc2c1CCCC2	174513407	HRTOKGQXCHSEOQ-UHFFFAOYSA-N	285.347	1.853	10	20	CDCD	
O=C(NC[C@@H]1Cc2ccccc2O1)c1cccc(O)c1O	126378509	GRNREWJKYVTGLF-NSHDSACASA-N	285.299	1.831	10	20	CDCD	
Cc1cccc(CN2CC[C@H](CN3CCOCC3)C2)c1O	180453157	KBOFTHMFHXOPOG-OAHLLOKOSA-N	290.407	1.855	10	20	CDCD	
COCCN(CC(=O)OC)Cc1ccc(N(C)C)c(F)c1	126447252	ISUWTDDPTDQADW-UHFFFAOYSA-N	298.358	1.513	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1n[nH]nc1C	188784096	XGOOGTDXPRVSSO-UHFFFAOYSA-N	287.367	1.841	10	20	CDCD	
C[C@](O)(CNCc1ccc(N2CCOCC2)cc1)C1CC1	313828006	CLVKDNAXAHXKMK-KRWDZBQOSA-N	290.407	1.774	10	20	CDCD	
CCN(CC)C(=O)CN1CCOc2cc(N(C)C)ccc21	130429400	VIDXYYOOPZFQFG-UHFFFAOYSA-N	291.395	1.820	10	20	CDCD	
O=C(N[C@H]1CCO[C@@H](C2CC2)C1)c1cccc(O)c1O	193164498	GKFLKORRCNLQEN-GXFFZTMASA-N	277.320	1.785	10	20	CDCD	
OCC(F)(F)CNCc1c(O)cccc1Cl	231777040	SOJDTKHDDLUSAI-UHFFFAOYSA-N	251.660	1.763	10	20	CDCD	
COCCOC1CCN(C(=O)Cc2ccc(N)cc2)CC1	237075633	VTNFGCLULRWZIN-UHFFFAOYSA-N	292.379	1.465	10	20	CDCD	
Cc1noc(C)c1CNC(=O)NCc1ccccc1O	263691737	GPIPCNDIANXMGV-UHFFFAOYSA-N	275.308	1.996	10	20	CDCD	
C[C@H](NC(=O)NCc1ccccc1O)[C@@H]1CCOC1	266631654	WXHLSENXQDUBTM-CMPLNLGQSA-N	264.325	1.616	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@H](O)c2cccnc2)cc1	264883487	TXPHQCQROKAANA-HNNXBMFYSA-N	285.347	1.497	10	20	CDCD	
COc1ccc(O)c(CN2CC[S@](=O)[C@@H](C)[C@@H]2C)c1	271832601	PEACBPYFQVZLNT-ADWYPQAOSA-N	283.393	1.742	10	20	CDCD	
CC[C@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)C[C@H]1O	272627139	JWCATNQDWVVAOS-ICCMNZRJSA-N	277.320	1.340	10	20	CDCD	
COC[C@H](NCc1ccc([N+](=O)[O-])c(OC)c1O)C1CC1	278554430	ZPRRVGHYEAWAMU-NSHDSACASA-N	296.323	1.824	10	20	CDCD	
CCOCc1cc(CNC[C@H](COC)OC)ccc1OC	272627297	AEFHJOXFNNIHDP-OAHLLOKOSA-N	297.395	1.983	10	20	CDCD	
Oc1ccc(F)cc1CN1CCOC[C@@H]1[C@@H]1CCCO1	377701303	SOLJMDGYRJZDOK-HIFRSBDPSA-N	281.327	1.911	10	20	CDCD	
COc1ccc(O)c(CNC[C@H]2CCCN(C(C)=O)C2)c1	279833231	QLTXQNKDKXHMKW-CYBMUJFWSA-N	292.379	1.749	10	20	CDCD	
O=C(NCc1ccccc1O)OC[C@H]1CCCO1	288344000	XSXKCTOTFWZLIZ-LLVKDONJSA-N	251.282	1.797	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)c2ncn(C)n2)cc1	289730809	GEOPKZHQZFDSDM-UHFFFAOYSA-N	287.367	1.591	10	20	CDCD	
Nc1ccc(CCNC(=O)[C@@H]2CCC[C@H](C(=O)O)C2)cc1	386843698	UGUZRIOZYDSAJS-OLZOCXBDSA-N	290.363	1.819	10	20	CDCD	
CC[C@@H]1CN(C(=O)c2cc(O)cs2)C[C@@H](C)[S@]1=O	807687829	CUMBEQWXRSQZBJ-LTLOQGBMSA-N	287.406	1.825	10	20	CDCD	
Cc1cc(O)c(CNC[C@@H](O)c2cnn(C)c2)cc1Cl	825326064	MGBSFZNAXCFGIU-CQSZACIVSA-N	295.770	1.911	10	20	CDCD	
COc1cc(O)c(CN2C[C@@H]3CCNC[C@@H]3C2)cc1OC	904420359	LUBWLJZEPDWDMU-WCQYABFASA-N	292.379	1.451	10	20	CDCD	
O=C(O)C1(NCc2ccc3c(c2)CCCO3)CCOCC1	900035278	GPRZLFXXUCFQTB-UHFFFAOYSA-N	291.347	1.735	10	20	CDCD	
NC(=O)CCC(=O)NCc1ccc(N2CCCC2)cc1	906109838	GKLLLUIRXQGGKG-UHFFFAOYSA-N	275.352	1.169	10	20	CDCD	
CN(CCNC(=O)NCc1ccccc1O)C1CC1	732885529	BBEFVRGNVNVVRM-UHFFFAOYSA-N	263.341	1.286	10	20	CDCD	
C[C@H](C(=O)N(C)Cc1ccccc1O)c1cnccn1	906992198	SANSDYMOIIVCMV-NSHDSACASA-N	271.320	1.944	10	20	CDCD	
CC[C@@H](C(=O)NCc1ccc(O)cc1O)N1CCCC1=O	910951862	WQEMGBZFNREIBD-LBPRGKRZSA-N	292.335	1.115	10	20	CDCD	
C[C@@H]1C[C@H](NC(=O)NCCc2ccc(N)cc2)CO1	831178143	KDXXCZDKIBMOLY-MFKMUULPSA-N	263.341	1.288	10	20	CDCD	
CSC[C@@H](C)C(=O)N(CC(=O)O)Cc1ccccc1O	911484615	DOCRPCHJNIGZDL-SNVBAGLBSA-N	297.376	1.805	10	20	CDCD	
Oc1ccccc1CN[C@H]1CCN(CC(F)F)C1	841893564	GTGVQGKPTTWOAE-NSHDSACASA-N	256.296	1.821	10	20	CDCD	
CCc1cccc(CN2CC[C@@](F)(CO)C2)c1O	848909168	MKZIMNOUJUONPD-AWEZNQCLSA-N	253.317	1.861	10	20	CDCD	
CN(CC(=O)NCc1cc(Cl)ccc1O)C(=O)C1CC1	846476179	LPEYFFJTVOZCOL-UHFFFAOYSA-N	296.754	1.530	10	20	CDCD	
COC[C@]1(CNCc2ccc(N(C)C)cc2)CCCN1	841066526	MMIPOUNFPNPZAI-MRXNPFEDSA-N	277.412	1.611	10	20	CDCD	
O=C(COC(=O)/C=C\c1ccc(O)c(O)c1)NCC1CC1	749306173	MWQYVZCJAXTWHB-XQRVVYSFSA-N	291.303	1.180	10	20	CDCD	
Cc1cc(N(C)C)ccc1C[C@H](C)N[C@H](C)CC(N)=O	840892560	AXWWRZSLJPJUBM-QWHCGFSZSA-N	277.412	1.846	10	20	CDCD	
COCC1(O)CN(Cc2ccc(N(C)C)cc2C)C1	840953742	YDCXZCZPEABBFX-UHFFFAOYSA-N	264.369	1.254	10	20	CDCD	
Nc1ccc(Cc2nc(C(=O)OCCCO)cs2)cc1	751932568	UTBODYWWJYUNBY-UHFFFAOYSA-N	292.360	1.855	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N1CC[C@@H]2C[C@H]2C1	856064279	WOOVFYYFXJYGSV-AAJWOFDGSA-N	259.305	1.979	10	20	CDCD	
C[C@@H]1COC[C@@H]1NCc1ccc(N2CCOCC2)c(F)c1	922640527	GPXZTHVGDSMYRY-DOMZBBRYSA-N	294.370	1.787	10	20	CDCD	
CCOc1ccc(CNC[C@H]2CCCN2C)c(O)c1	858235125	DAYQEONCMJDHEB-CYBMUJFWSA-N	264.369	1.975	10	20	CDCD	
COC[C@@H](OC)C(=O)N[C@H](C)c1ccccc1O	827957858	ZKABSLBONBRIKX-BXKDBHETSA-N	253.298	1.231	10	20	CDCD	
CON(C)C(=O)[C@@H](C)N[C@H](C)c1ccccc1O	858585849	BSRZQIHKWSUBOV-NXEZZACHSA-N	252.314	1.451	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CCO[C@H](C(=O)O)C2)c1O	769756893	ZXXSICHJZKDNOY-LBPRGKRZSA-N	297.282	1.019	10	20	CDCD	
CCN(CCO)Cc1c(O)cccc1Br	862211130	DSJIQLKAQGBNHR-UHFFFAOYSA-N	274.158	1.969	10	20	CDCD	
CCO[C@@H]1COCC[C@H]1NCc1cc(OC)ccc1O	761223917	VCNKQELSMTUBLD-UKRRQHHQSA-N	281.352	1.684	10	20	CDCD	
Nc1ccc(CCNC(=O)C(=O)N[C@H]2C=CCCC2)cc1	1117973016	MLCGVPKGBPZBQU-AWEZNQCLSA-N	287.363	1.152	10	20	CDCD	
C[C@]1(CNC(=O)/C=C\c2ccc(O)c(O)c2)CCOC1	779519865	FJOFRQIKNAVTBY-UYWPIULCSA-N	277.320	1.654	10	20	CDCD	
COc1ccc(CN[C@@H](C)c2ncn(C)n2)c(O)c1OC	1119959947	YWLVJOMMQWLOBK-VIFPVBQESA-N	292.339	1.389	10	20	CDCD	
Cc1cccc(O)c1CNCCCCN1CCN(C)CC1	876928526	IAFOHXFOAIXXKY-UHFFFAOYSA-N	291.439	1.818	10	20	CDCD	
CCN(C)c1ccc(CN(C)CC(C)(CO)CO)cc1	773765443	KAYNIEUJEUDQRU-UHFFFAOYSA-N	280.412	1.565	10	20	CDCD	
CN(CCS(C)(=O)=O)Cc1cc(Cl)cc(F)c1O	775651412	NHCKEPUBVMPGOL-UHFFFAOYSA-N	295.763	1.661	10	20	CDCD	
CCOc1ccc(CN2C[C@H](CO)OC[C@@H]2C)c(O)c1	770350145	FLVGEYUSMQTZIK-SMDDNHRTSA-N	281.352	1.373	10	20	CDCD	
CNC(=O)C1(NCc2cc(OC)ccc2O)CCCC1	779173258	DIWVTLHGNPPXOB-UHFFFAOYSA-N	278.352	1.549	10	20	CDCD	
O=C(NCc1ccccn1)c1c(F)ccc(O)c1O	789939243	MSAOVDDRRZPEPN-UHFFFAOYSA-N	262.240	1.562	10	20	CDCD	
CCNC(=O)CC(=O)NCc1ccc(N(C)C)c(F)c1	780917450	IOERVJXRFPYADH-UHFFFAOYSA-N	281.331	1.034	10	20	CDCD	
C[C@@H](O)CN1CCN(Cc2cc(Cl)ccc2O)[C@H](C)C1	793586087	FRPWFWKHTAXWKD-VXGBXAGGSA-N	298.814	1.933	10	20	CDCD	
O[C@@H](CNCc1ccc(N2CCOCC2)cc1)C1CC1	71300491	PZZVJBIRTHJXTM-INIZCTEOSA-N	276.380	1.384	10	20	CDCD	
COCC1(C(=O)NCCc2ccc(O)c(O)c2)CC1	778915937	YUMXIAKPTHZTKK-UHFFFAOYSA-N	265.309	1.183	10	20	CDCD	
C[C@H](NCc1cc2c(cc1O)OCO2)c1ncnn1C	788971066	BLRVFOINWZOTIC-QMMMGPOBSA-N	276.296	1.100	10	20	CDCD	
C[C@@H](NCc1nnc2n1CCOC2)c1c(O)cccc1F	1331229584	LTYVEKWSMJYGAB-SECBINFHSA-N	292.314	1.504	10	20	CDCD	
Nc1ccc(CN2CCC3(CC2)CNC(=O)O3)cc1	1334755111	WBQPMMVBDABVCT-UHFFFAOYSA-N	261.325	1.343	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)OCCCC(=O)C(=O)O	1608286938	FZRHVECEKBWAQM-XQRVVYSFSA-N	294.259	1.088	10	20	CDCD	
CO[C@H]1CCN(Cc2cccc(C)c2O)[C@@H](C(=O)O)C1	1599124051	PESCLGDWRQMKKM-QWHCGFSZSA-N	279.336	1.765	10	20	CDCD	
CCN(CCC(=O)O)Cc1cc2c(cc1O)OC[C@H]2O	1596314924	TWZZJHKZXPKJKC-GFCCVEGCSA-N	281.308	1.115	10	20	CDCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)NC2CC=CC2)c1	151005171	HNTGDJGLYZQDRG-UHFFFAOYSA-N	296.348	1.212	10	20	CDCD	
C[C@@H](NCCN1CCC(O)CC1)c1ccccc1O	295892304	HVOAKQNEIYASPK-GFCCVEGCSA-N	264.369	1.500	10	20	CDCD	
O=C(N[C@@H]1CCCCC12OCCO2)c1cccc(O)c1O	715925535	RRTJNASUKOYGSO-GFCCVEGCSA-N	293.319	1.513	10	20	CDCD	
CN(C)c1ccc(CNc2nc(=O)c3cn[nH]c3[nH]2)cc1	106462929	ILOYVZHJJPGYQH-UHFFFAOYSA-N	284.323	1.324	10	20	CDCD	
CN1C(=O)C(=Cc2ccc3c(c2)CCC3)C(=O)N(C)C1=O	172813896	YLNDPQHIJRMVFY-UHFFFAOYSA-N	284.315	1.609	10	20	CDCD	
CC[C@H](C)[C@H](NC(=O)c1cccc(O)c1O)C(=O)O	125985313	MEQGSODFUWAWPP-XVKPBYJWSA-N	267.281	1.327	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)c1ccc(O)cc1O	35804205	UQXMRXHSCJSLFT-UHFFFAOYSA-N	275.260	1.439	10	20	CDCD	
Cn1ccnc(NCc2c(O)ccc3c2CCCC3)c1=O	78463874	RVTDLFKWNSJPHA-UHFFFAOYSA-N	285.347	1.977	10	20	CDCD	
Cc1cnn(CCC(=O)N(C)Cc2ccccc2O)c1	80357056	CZLWOUQAPQTPPN-UHFFFAOYSA-N	273.336	1.946	10	20	CDCD	
COc1ccc(N(C)Cc2cc(=O)c(O)co2)c(OC)c1	132017979	LCYXODVKGWGTFV-UHFFFAOYSA-N	291.303	1.999	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)[C@H](C)NC(C)=O	136978727	XYCRUEPCPKOFLF-NSHDSACASA-N	278.352	1.655	10	20	CDCD	
CC(C)(O)C(=O)NCCCSc1nccs1	191813140	QHUNOGMKTZNYCD-UHFFFAOYSA-N	260.384	1.512	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)[C@@H]1CNCCN1C	1340021550	ZLKZKFLACSIUIK-AWEZNQCLSA-N	291.395	1.034	10	20	CDCD	
C[C@H]1CN(Cc2cc3c(cc2O)OCO3)CC[S@](=O)C1	277564695	SDCZFIWAYYYFSV-FVINQWEUSA-N	297.376	1.321	10	20	CDCD	
O=C(NC[C@@H]1CCCC[C@H]1O)c1c(F)ccc(O)c1O	276579116	LLOAZQKAJCTBQL-WCBMZHEXSA-N	283.299	1.518	10	20	CDCD	
COc1ccc(CNC(=O)C[C@@H]2CCCC(=O)N2)c(O)c1	368135147	OQYASTKBISLVLS-NSHDSACASA-N	292.335	1.076	10	20	CDCD	
O=C(N[C@H]1CCO[C@]2(CCOC2)C1)c1cccc(O)c1O	366150689	FFEUFDUUNZQUHU-ZUZCIYMTSA-N	293.319	1.166	10	20	CDCD	
COC1(C(=O)NCc2ccc(O)c(O)c2)CCC1	272897694	XOYBNPSCOPJNOC-UHFFFAOYSA-N	251.282	1.283	10	20	CDCD	
COc1ccc(CN[C@H](C)C(=O)NCCF)cc1C	282728632	QUMJMVNNVFNUBA-LLVKDONJSA-N	268.332	1.567	10	20	CDCD	
COc1cccc(CN2CCNC(=O)C[C@@H]2C)c1O	377825582	CXPJZMQEOBZBJP-JTQLQIEISA-N	264.325	1.111	10	20	CDCD	
O=C1N[C@H]2CN(Cc3ccccc3O)CC[C@@H]2CO1	281237390	LNEORFDWTODBAC-NEPJUHHUSA-N	262.309	1.323	10	20	CDCD	
CC(C)NC(=O)OC1CN(C(=O)c2cccc(O)c2O)C1	288297736	SXPJEKNIUKBVBA-UHFFFAOYSA-N	294.307	1.057	10	20	CDCD	
C[C@@H](NC(=O)C1CCCC1)C(=O)NCc1ccc(N)cc1	297335752	YATGCJXZJGSUTB-LLVKDONJSA-N	289.379	1.580	10	20	CDCD	
COCCO[C@H]1CCN(C(=O)c2c(F)ccc(O)c2O)C1	295339823	PRRKOTBHDJCKQO-VIFPVBQESA-N	299.298	1.114	10	20	CDCD	
COC(=O)C[C@H]1COCCN1Cc1c(O)cccc1OC	809773408	RGYLOGUHKXZZQN-NSHDSACASA-N	295.335	1.165	10	20	CDCD	
CN(Cc1cc2c(cc1O)OCO2)C[C@H](O)C1CC1	809751697	JAZRSSQZQCYCNO-LBPRGKRZSA-N	265.309	1.324	10	20	CDCD	
CO[C@H](CNC(=O)c1c(F)ccc(O)c1O)C(C)C	295291312	MWCAATPUPQDJIW-SNVBAGLBSA-N	271.288	1.638	10	20	CDCD	
O=C1NC(=S)S/C1=C\c1cc(F)ncc1F	806565489	OMZXUAMDNZBOMU-BHQIHCQQSA-N	258.274	1.849	10	20	CDCD	
O=Cc1c[nH]c(C(=O)NCCc2ccc(O)c(O)c2)c1	815833984	NOQCNWFZSBPSNH-UHFFFAOYSA-N	274.276	1.211	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCO[C@H]2C[C@@H]21	813647716	XSIXRAOTXSHYFA-GJZGRUSLSA-N	289.379	1.744	10	20	CDCD	
CCOc1ccc(CN2CC[C@@H](C(=O)O)C2)c(O)c1	820387429	PPECXEBBDKUIGC-LLVKDONJSA-N	265.309	1.697	10	20	CDCD	
C[C@@H](NCCN1CCCOCC1)c1ccc(F)cc1O	903229299	XPAOBFBLQXMEFN-GFCCVEGCSA-N	282.359	1.904	10	20	CDCD	
C[C@@H]1COCCN(C(=O)c2c(F)ccc(O)c2O)C1	827310283	MWTIQPIJUYRJOC-QMMMGPOBSA-N	269.272	1.345	10	20	CDCD	
CCOC(=O)[C@H](CC1CC1)NC(=O)c1cc(O)cs1	829603592	KZRIQRGIRQFDBZ-JTQLQIEISA-N	283.349	1.915	10	20	CDCD	
Cc1nnc(CC(=O)NCc2ccc(O)c(O)c2)s1	830559811	WGKYUBYSFLZUPS-UHFFFAOYSA-N	279.321	1.117	10	20	CDCD	
Cc1nccn1CCNC(=O)c1cc(O)cs1	732280108	YFOQNZAEFRDOJU-UHFFFAOYSA-N	251.311	1.389	10	20	CDCD	
O[C@@H](CNCc1ccc(N2CCOCC2)c(F)c1)C1CC1	734843805	CCJIRZMSNJVSSK-INIZCTEOSA-N	294.370	1.523	10	20	CDCD	
CCO[C@@H]1COC[C@H]1N[C@H](C)c1cc(F)ccc1O	834903585	IZEMHGFDPKCZDD-GAJTVXKRSA-N	269.316	1.986	10	20	CDCD	
CNC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1	837572675	CQONZHYNPYCXAB-UHFFFAOYSA-N	285.294	1.230	10	20	CDCD	
CNC(=O)C[C@H](C)N[C@H](C)c1cccc(OC)c1O	846167676	ASBVLCNNHZDVKS-VHSXEESVSA-N	266.341	1.576	10	20	CDCD	
C[C@@H](NC(=O)O[C@@H]1CCOC1)c1ccccc1O	919117378	CKIHUHCCVDAHPR-NXEZZACHSA-N	251.282	1.968	10	20	CDCD	
CCN1CC[C@H](OC(=O)/C=C\c2ccc(O)c(O)c2)C1=O	849744645	DXFUOLQBJYPXJD-AGLBCWCQSA-N	291.303	1.275	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCN	841921082	MPVWAROADMIKMF-UHFFFAOYSA-N	264.373	1.243	10	20	CDCD	
Nc1ccc(-n2cc(C[C@@]3(O)CCSC3)nn2)cc1	849134277	BDRUJQDDJWMWFT-ZDUSSCGKSA-N	276.365	1.260	10	20	CDCD	
COc1cccc([C@H](C)N[C@@H](CO)CCF)c1O	846209685	SCWTYNNNEKLWMK-VHSXEESVSA-N	257.305	1.772	10	20	CDCD	
Oc1ccccc1CN1CCNC[C@@H]1c1ccncc1	843120905	XQQVXWMIZXPJQP-OAHLLOKOSA-N	269.348	1.934	10	20	CDCD	
Cc1cc(N(C)C)ccc1[C@H]1NC(=O)[C@@H]2CSCCN12	840820879	UJYGSNMKGKRAOQ-KBPBESRZSA-N	291.420	1.607	10	20	CDCD	
CCN1C[C@H](NCc2ccc(N(C)C)cc2C)CC1=O	840950510	LFLUAFQMPZCOPP-CQSZACIVSA-N	275.396	1.771	10	20	CDCD	
CC(=O)c1cc(F)cc(CN[C@@H](C)[C@H](C)C(=O)O)c1O	846228869	RSDPALRJPRWODM-YUMQZZPRSA-N	283.299	1.933	10	20	CDCD	
COC[C@@]1(CNCc2cccc(OC)c2O)CCCN1	841067217	KUJGWNDFSLROOL-HNNXBMFYSA-N	280.368	1.259	10	20	CDCD	
CON(C)C(=O)[C@H](C)NCc1ccc(N(C)C)c(F)c1	858320676	ZEPVTZSIUCVMBZ-JTQLQIEISA-N	283.347	1.390	10	20	CDCD	
CNC[C@H](C)NC(=O)N(C)Cc1ccccc1O	851680597	IQKIXNTZLVBUNH-JTQLQIEISA-N	251.330	1.142	10	20	CDCD	
COCC(COC)NC(=O)NCc1cc(C)ccc1O	858516357	DAMCBVZVMSNRHD-UHFFFAOYSA-N	282.340	1.161	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@@H]2CCOC2)c1	756769271	PIRZZFGTSMTXDM-GXSJLCMTSA-N	265.309	1.618	10	20	CDCD	
C[C@@H]1C[C@@H](N[C@@H]2COC[C@@H]2O)c2c(O)ccc(F)c21	866421219	XSULCXBUFYLBEX-LTGWCKQJSA-N	267.300	1.429	10	20	CDCD	
C[C@H]1C(=O)N(CCCSc2nccs2)C(=O)N1C	761300927	SULWINOREKIAFU-QMMMGPOBSA-N	285.394	1.908	10	20	CDCD	
O=C1CN(Cc2c(O)ccc3ccccc23)CCCN1	769116788	UAIFGRARXDDIOS-UHFFFAOYSA-N	270.332	1.867	10	20	CDCD	
CNC(=O)CCN[C@@H](C)c1ccc(N2CCOCC2)cc1	765331228	CUBQLCVMEDILTH-ZDUSSCGKSA-N	291.395	1.310	10	20	CDCD	
CN(C)c1ccc(CN2CCC(CO)(CO)CC2)cc1	877799419	MWVHMSOTJUKFSK-UHFFFAOYSA-N	278.396	1.319	10	20	CDCD	
O=C(N[C@@H]1CCC[C@@H]1CCO)c1cc(O)cs1	779664427	UFJXVUJCPJQUSD-PSASIEDQSA-N	255.339	1.735	10	20	CDCD	
CCN(C)c1ccc(CN2CC[C@@H](S(N)(=O)=O)C2)cc1	773800316	LKLWDCMRUNEUKW-CQSZACIVSA-N	297.424	1.006	10	20	CDCD	
C[C@@H](CCO)CNCc1ccc(N2CCC(O)CC2)cc1	877067222	DLWDGMAZCABBAU-AWEZNQCLSA-N	292.423	1.756	10	20	CDCD	
Cc1cc(C(=O)N[C@H]2C[C@H](CO)C2)c(C)n1-c1ccccn1	886897493	XOMSNLXIILOKLS-HDJSIYSDSA-N	299.374	1.990	10	20	CDCD	
COC(=O)CN(Cc1cc(F)ccc1O)C1CCOCC1	779026130	UCCWEQRRLAKULH-UHFFFAOYSA-N	297.326	1.685	10	20	CDCD	
Nc1ccc(-n2cc(CO[C@H]3CCCCO3)nn2)cc1	887407750	QNRKRJAUSZXVEV-AWEZNQCLSA-N	274.324	1.893	10	20	CDCD	
CC1(C(=O)NCc2ccc(N3CCOCC3)cc2)COC1	782589008	JRFGGPFFQKOBBT-UHFFFAOYSA-N	290.363	1.176	10	20	CDCD	
COc1cc(C)cc(CNC[C@H]2CN(C)CCN2C)c1O	894255818	JPUGBJIAEMWOHU-AWEZNQCLSA-N	293.411	1.045	10	20	CDCD	
COc1ccc(CNC(=O)c2cn(C)nc2C)c(O)c1	794379719	VMXWJMLJOJVVDL-UHFFFAOYSA-N	275.308	1.373	10	20	CDCD	
CCNC(=O)CNCc1ccc(Br)cc1O	691454345	JYDNXJPHFAMQBV-UHFFFAOYSA-N	287.157	1.380	10	20	CDCD	
CCON(C)C(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	1323938178	NIJPKHUBQWDWPS-LLVKDONJSA-N	293.367	1.340	10	20	CDCD	
CC(C)(C)CCNC(=O)C(=O)NCCc1ccc(N)cc1	1328759911	CIXCEGAQOVBDHB-UHFFFAOYSA-N	291.395	1.480	10	20	CDCD	
CC1=NO[C@](C)(C(=O)NCc2ccc(O)cc2O)C1	1339045763	NLHNKNBLBPANCL-ZDUSSCGKSA-N	264.281	1.269	10	20	CDCD	
C[C@H](NC(=O)C(=O)N1CCC1)c1ccc(N(C)C)cc1	1346751287	BVXQOKVIBJPOKN-NSHDSACASA-N	275.352	1.162	10	20	CDCD	
COc1cc(N(C)CC(C)(C)O)c([N+](=O)[O-])cc1OC	213801734	IKFMWVFHRGBCBB-UHFFFAOYSA-N	284.312	1.819	10	20	CDCD	
Cc1ccc([C@H](C)NCCOCCN(C)C)c(O)c1	219313266	UMPUGQJDWOURQT-ZDUSSCGKSA-N	266.385	1.929	10	20	CDCD	
C[C@@H]1CNc2c(C(=O)NCc3ccccc3O)cnn2C1	1528037733	PGMXQFGLKIMAJV-SNVBAGLBSA-N	286.335	1.580	10	20	CDCD	
O=C(O)C1=CC[C@H](NC(=O)c2cc(O)cs2)C1	1601735806	UAHIDKUCGPCXOY-ZETCQYMHSA-N	253.279	1.357	10	20	CDCD	
Cc1ccc(O)c(CNc2ncc(C(=O)O)cn2)c1	1600466869	GPRJFWKZEHZILU-UHFFFAOYSA-N	259.265	1.801	10	20	CDCD	
Cn1cc(CSc2ncc(C(=O)O)s2)nn1	1610604373	IQBHJJKNAUJYCW-UHFFFAOYSA-N	256.312	1.262	10	20	CDCD	
CS(=O)(=O)N[C@@H]1CCCC[C@H]1NCc1ccc(N)cc1	1579347672	LOHCBSPWCLQAPQ-ZIAGYGMSSA-N	297.424	1.219	10	20	CDCD	
NC(=O)c1ccccc1NCC(=O)Oc1ccc(N)cc1	1580107043	LLNPFSWIVHLYAG-UHFFFAOYSA-N	285.303	1.385	10	20	CDCD	
CON(C(=O)c1ccc(C)c(O)c1O)[C@H](C)CC(=O)O	1599311834	OVRLTPFSKQKDMK-MRVPVSSYSA-N	283.280	1.273	10	20	CDCD	
CCN(C)c1ccc(CN2C[C@H](O)C[C@@H](C(=O)O)C2)cc1	1596194497	OAZWIRANUSEWES-UKRRQHHQSA-N	292.379	1.410	10	20	CDCD	
COc1ccc(CN2C[C@@H](C)[C@H](C(=O)O)C2)c(O)c1OC	1599562760	AFYMGCJSALMLCW-MWLCHTKSSA-N	295.335	1.562	10	20	CDCD	
CN1CCCc2cc(CNC(=O)[C@H]3CCCNC3)ccc21	166473171	KEPBDDDHRILGPH-HNNXBMFYSA-N	287.407	1.685	10	20	CDCD	
Cc1ccc(CNCCC(=O)NC(C)C)c(O)c1	876922850	MVWSIJSBCGPMKJ-UHFFFAOYSA-N	250.342	1.705	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)N[C@@H]1CCOC1	179153085	LKRJKEPHPUIKAK-LLVKDONJSA-N	250.298	1.323	10	20	CDCD	
O=C(NCCN[C@H]1CCc2cccc(O)c21)C1CC1	295938978	KTITVKIWQDNUMH-LBPRGKRZSA-N	260.337	1.495	10	20	CDCD	
O=C(O)[C@H]1CCCN1Cc1cc(F)cc(F)c1O	708076922	YTHOGKBNZQVKBM-SNVBAGLBSA-N	257.236	1.719	10	20	CDCD	
CN(C[C@@H]1CCC[C@H]1O)C(=O)Cc1ccc(N)cc1	708339704	AEQNCHYKTUTCSO-GXTWGEPZSA-N	262.353	1.431	10	20	CDCD	
CCCN(Cc1ccccc1O)[C@H](C)C(=O)NC(=O)NC	174374457	WWXTUHBGUHCBLK-LLVKDONJSA-N	293.367	1.448	10	20	CDCD	
COCC[C@H](C)NC(=O)NCc1cc(OC)ccc1O	114593760	IVOCYDDNITWWFE-JTQLQIEISA-N	282.340	1.625	10	20	CDCD	
Cc1nn(C)c(Cl)c1/C=C/C(=O)N(C)c1cnn(C)c1	173176175	QEBVSXRKFHWTIA-AATRIKPKSA-N	293.758	1.792	10	20	CDCD	
COc1cccc(CNC[C@H]2CN3CCC[C@@H]3CO2)c1O	112839330	IIECCQHOAXMGTC-KGLIPLIRSA-N	292.379	1.354	10	20	CDCD	
CNCCC1CCN(C(=O)NCc2ccc(N)cc2)CC1	1346737978	CFSQOTFOHVPRNG-UHFFFAOYSA-N	290.411	1.800	10	20	CDCD	
CC(C)[C@H](N)C(=O)NCc1ccc(N2CCCC2)cc1	178710865	MRMBSBADUYBABU-HNNXBMFYSA-N	275.396	1.886	10	20	CDCD	
N=C(N)NCc1ccc(N2CCSCC2)cc1	303262026	PETBMCQBXHNSHD-UHFFFAOYSA-N	250.371	1.223	10	20	CDCD	
Cn1cnc(NCc2ccc(N3CCOCC3)cc2)n1	814255494	QCWCMHDVRAXRNP-UHFFFAOYSA-N	273.340	1.264	10	20	CDCD	
CCc1cc(O)ccc1NS(=O)(=O)c1cn[nH]c1	189425514	FQLOFCZRRRLNNR-UHFFFAOYSA-N	267.310	1.479	10	20	CDCD	
C[C@@H](NCc1ncn(C)n1)c1ccc(F)cc1O	186214212	CKMZANPEIGELHI-MRVPVSSYSA-N	250.277	1.511	10	20	CDCD	
COCC[C@](C)(O)CNCc1cccc(Cl)c1O	182211016	GYRTZDZITBJFIS-ZDUSSCGKSA-N	273.760	1.923	10	20	CDCD	
Cc1cccc(CN2CCC[C@@H](OCCO)C2)c1O	180175225	QAHUOPCXORWUSE-CQSZACIVSA-N	265.353	1.674	10	20	CDCD	
C/C=C/C[C@@H](CO)NC(=O)c1cccc(O)c1O	193167132	GPTBYUQZNORDKQ-HPOULIHZSA-N	251.282	1.155	10	20	CDCD	
CC(C)Oc1ccc(N(C)Cc2nc(N)nc(N)n2)cc1	191590274	IHWCBPJFCORFJW-UHFFFAOYSA-N	288.355	1.460	10	20	CDCD	
O=C(C[C@H]1CCCOC1)NCCc1ccc(O)c(O)c1	193594108	QMLOLGVXPGBSJL-GFCCVEGCSA-N	279.336	1.573	10	20	CDCD	
COC[C@@H](CO)NCc1cc(Br)ccc1O	234866486	CITWNFYSUKFYEH-SNVBAGLBSA-N	290.157	1.252	10	20	CDCD	
CO[C@@H](CNC(=O)Cc1ccc(N)cc1)C(C)(C)C	237070666	BEQYSCARAZQGSZ-ZDUSSCGKSA-N	264.369	1.989	10	20	CDCD	
COC[C@H](CCO)N[C@H]1CCc2cccc(O)c21	297861586	UCSSRLKKWUBTCM-RYUDHWBXSA-N	251.326	1.367	10	20	CDCD	
CCN(CCO)Cc1cc(Br)ccc1O	267393480	XJDMUQMEGMWNOC-UHFFFAOYSA-N	274.158	1.969	10	20	CDCD	
Cc1ccc(O)c([C@@H](C)NC[C@H]2COCCN2)c1	530223200	HFJFPOPZCRZGPN-NEPJUHHUSA-N	250.342	1.340	10	20	CDCD	
COc1cccc(CN(C)[C@H](C)CN2CCOCC2)c1O	279398020	KSYCKFMWWSTQPH-CYBMUJFWSA-N	294.395	1.553	10	20	CDCD	
COC1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1	272528673	WPPKLNDSVWBVND-HWKANZROSA-N	277.320	1.748	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC[C@@H](CO)[C@H]2CCOC2)c1	280427673	BORYMTDDPCPHBA-AVGNSLFASA-N	295.379	1.696	10	20	CDCD	
COC(=O)C[C@@H]1COCCN1Cc1cc(Cl)ccc1O	377836023	YHHAKFZOBZIHSH-GFCCVEGCSA-N	299.754	1.810	10	20	CDCD	
CCC(CC)NC(=O)C(=O)NCc1ccc(N(C)C)cc1	283294952	OVJWGVDHPQSSTG-UHFFFAOYSA-N	291.395	1.674	10	20	CDCD	
OC[C@]1(F)CCCN(Cc2cccc(F)c2O)C1	289856176	QGYWWGUHGVLOJT-ZDUSSCGKSA-N	257.280	1.828	10	20	CDCD	
CCOC(=O)[C@@H](C)[C@@H](C)NC(=O)c1cccc(O)c1O	286066288	MDNWLCKXOHQNEO-DTWKUNHWSA-N	281.308	1.415	10	20	CDCD	
C[C@H]1CN(C(=O)c2cccc(O)c2O)C[C@H](C2CC2)O1	280092177	QVGFISPQMCZELC-TVQRCGJNSA-N	277.320	1.737	10	20	CDCD	
CC(=O)C(=O)COC(=O)COc1cc(C)cc(C)c1	808486611	GKENLXKCFLLUKX-UHFFFAOYSA-N	264.277	1.384	10	20	CDCD	
COCc1nn(Cc2ccc(N(C)C)c(C)c2)c(=O)o1	292770055	XJLRXTQRNKVBQS-UHFFFAOYSA-N	277.324	1.405	10	20	CDCD	
C[C@H](NC(=O)N1CCO[C@@H]2C[C@H]21)c1ccc(N(C)C)cc1	813719039	JVBJOGUBOBWBQH-NILFDRSVSA-N	289.379	1.996	10	20	CDCD	
CC(=O)N[C@H]1CCN(Cc2ccc(N(C)C)cc2)C1	817281495	XGECDRSJSGPZMW-AWEZNQCLSA-N	261.369	1.463	10	20	CDCD	
Cc1cc(O)c(CNCC(=O)N(C)C)cc1Cl	825425826	LUDBYUMJSXOVMY-UHFFFAOYSA-N	256.733	1.532	10	20	CDCD	
COc1ncc(/C=C\C(=O)N(C)c2cnccc2C)cn1	492742890	VDYCNKJBUWTOIZ-PLNGDYQASA-N	284.319	1.865	10	20	CDCD	
CCC(=O)N1CCCN(C(=O)c2cc(O)cs2)CC1	732275438	XFSOCFVEZJEMTG-UHFFFAOYSA-N	282.365	1.538	10	20	CDCD	
C[C@H]1CCN(S(=O)(=O)Nc2ccc(O)c(F)c2F)C1	830185150	VPUVJDNJAVHKOW-ZETCQYMHSA-N	292.307	1.669	10	20	CDCD	
C[C@@H]1CCN(C(=O)c2cc(O)cs2)[C@@H](C(N)=O)C1	832542734	PABFJOOERMIDBM-VXNVDRBHSA-N	268.338	1.180	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2C[C@@H](CN)C[C@@H]2C)c1O	843362683	NPFXUSHNUFQARO-GXSJLCMTSA-N	280.343	1.903	10	20	CDCD	
CNC(=O)CCN(C)Cc1ccc(N(C)C)cc1C	840914995	YGDSRMLFBMQJDR-UHFFFAOYSA-N	263.385	1.629	10	20	CDCD	
CCN(C)c1ccc(CN2CCOC[C@H]2C(=O)O)cc1	846225991	VXOJKHZFDVSUHA-AWEZNQCLSA-N	278.352	1.428	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CCN[C@H](C)C2)c1O	842473401	DBQCYEZIKOOCOF-SECBINFHSA-N	266.316	1.528	10	20	CDCD	
CCOc1ccc(CN2CC[C@@H]3NCC[C@@H]3C2)c(O)c1	843126288	HUHPEXPCRMPPEG-DOMZBBRYSA-N	276.380	1.975	10	20	CDCD	
Cn1cc(/C=C\C(=O)N2CCCn3nccc32)cn1	748516101	GKRSMNNSQHOBPV-ARJAWSKDSA-N	257.297	1.067	10	20	CDCD	
CCN(CCOC)C(=O)NCCc1ccc(N)cc1	841957619	STVXYGVVGIKXPO-UHFFFAOYSA-N	265.357	1.489	10	20	CDCD	
Cc1cc(O)c(CNCc2nc(C(N)=O)cs2)cc1C	850384596	ZGTAPHRIBYFUKJ-UHFFFAOYSA-N	291.376	1.854	10	20	CDCD	
C[C@H](NCCN1CCOC[C@H]1C)c1cc(F)ccc1O	756537395	YPZIZDFMQYYFHA-NEPJUHHUSA-N	282.359	1.903	10	20	CDCD	
COc1cc(Cl)cc(CN[C@@H]2CC[C@H](C(N)=O)C2)c1O	825279587	STESNAXKWRDROJ-GZMMTYOYSA-N	298.770	1.798	10	20	CDCD	
O=C(OCc1nc(C2CC2)no1)c1cccc(O)c1O	758573410	RPXOGJSQGMVWRH-UHFFFAOYSA-N	276.248	1.715	10	20	CDCD	
CN(Cc1ccccc1O)C(=S)NCc1ccon1	764460988	DZTVTFSFOCURSU-UHFFFAOYSA-N	277.349	1.887	10	20	CDCD	
C[C@@H](NS(=O)(=O)N1CCC[C@H]1C)c1ccccc1O	867834360	GTRBTAGTIWZJKJ-GHMZBOCLSA-N	284.381	1.772	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NOCC(F)(F)F	779534428	QKWANKBIUJGWLI-DUXPYHPUSA-N	277.198	1.721	10	20	CDCD	
C[C@H](NCc1nnc2n1CCC2)c1c(O)cccc1F	886498678	LWHBDBYSZLMBKV-VIFPVBQESA-N	276.315	1.920	10	20	CDCD	
OC[C@@H](C[C@H]1CCCO1)NCc1cc2c(cc1O)OCO2	886228581	BOYHBBPQZKFKEE-VXGBXAGGSA-N	295.335	1.141	10	20	CDCD	
CCOc1ccc(CN2CCCN(CC)C(=O)C2)c(O)c1	787416499	HDNISRAGSQFPKF-UHFFFAOYSA-N	292.379	1.845	10	20	CDCD	
CC(C)OC[C@H](CO)N(C)Cc1ccc(N(C)C)cc1	785829737	AGETWKXHCVHKEU-INIZCTEOSA-N	280.412	1.970	10	20	CDCD	
COc1cccc(CNC(=O)CCC(C)(C)O)c1O	787443213	BUVIQEVDYVRQDD-UHFFFAOYSA-N	267.325	1.568	10	20	CDCD	
CC(=O)NCCC1=CCN(c2ncnc3c2CCC3)CC1	1089802223	IWRXRUZWKVLYTM-UHFFFAOYSA-N	286.379	1.628	10	20	CDCD	
Cc1ccc(C(=O)N2CCC[C@@](C)(CO)C2)c(O)c1O	1320203241	PKOMRYQOUOBADR-OAHLLOKOSA-N	279.336	1.641	10	20	CDCD	
COCCCCCNC(=O)NCc1ccc(N)cc1	1336225045	IMRDBESYIFRINN-UHFFFAOYSA-N	265.357	1.885	10	20	CDCD	
CCN1CCN(Cc2ccc(N)cc2)C(C)(C)C1=O	1336286478	QTVGCYYHZFWQTN-UHFFFAOYSA-N	261.369	1.712	10	20	CDCD	
CC[C@H](N)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	1514581087	HUWVXSSXLDYGFH-GJZGRUSLSA-N	292.427	1.209	10	20	CDCD	
CC(C)CN(CCC(=O)O)C(=O)c1cccc(O)c1O	1609698432	DNCHOMYARKGRTG-UHFFFAOYSA-N	281.308	1.671	10	20	CDCD	
O=C(O)c1cnc(S[C@@H]2CCCCNC2=O)s1	1608978553	FRFHVDUXHJPITD-ZCFIWIBFSA-N	272.351	1.602	10	20	CDCD	
CCS(=O)(=O)CCSc1ncc(C(=O)O)s1	1610048822	HPVYFOAWWRPBPG-UHFFFAOYSA-N	281.380	1.368	10	20	CDCD	
N[C@@H]1Cc2ccccc2N(C(=O)/C=C/c2cncc(O)c2)C1	1580207536	VPAZNFROTHOIQZ-VBROQKIQSA-N	295.342	1.717	10	20	CDCD	
NC[C@]12CC[C@@H]1CCN2Cc1ccc(F)c(F)c1O	1580253406	LZKLHYRQYAQKSM-QMTHXVAHSA-N	268.307	1.984	10	20	CDCD	
COC[C@@](C)(CC(=O)O)NCc1cc(F)c(F)cc1O	1599149803	RCIINVJSMXZLFV-CYBMUJFWSA-N	289.278	1.640	10	20	CDCD	
C[C@@H](NCCN(C)C)c1cc(C(=O)O)ccc1O	1593266159	ARJFCCKYIZOJHK-SECBINFHSA-N	252.314	1.303	10	20	CDCD	
CCN1CCc2cc(CNCC[C@@H](F)C(=O)O)ccc21	1776877309	LMNQTMMXDYSCHC-CYBMUJFWSA-N	280.343	1.971	10	20	CDCD	
CO[C@]1(CNCc2ccc3c(c2)CCCN3C)CCOC1	160122129	BGOBLSWAQUUIHZ-KRWDZBQOSA-N	290.407	1.964	10	20	CDCD	
CCOc1cccc(CN[C@@H]2CCN(C(C)=O)C2)c1O	152958827	WTSYBXJTZWPNHM-CYBMUJFWSA-N	278.352	1.501	10	20	CDCD	
COc1ccc(O)c(CN(C)C[C@H]2COCCO2)c1	827141793	XRWNVVHSEMDVJV-ZDUSSCGKSA-N	267.325	1.248	10	20	CDCD	
COc1ccc(O)c(CNC[C@](C)(O)C(F)(F)F)c1	271840703	QQGJYHJFCFKVMQ-NSHDSACASA-N	279.258	1.804	10	20	CDCD	
Oc1cc2c(cc1CN1CCO[C@H]3CCC[C@@H]31)OCO2	57100385	GAVQQFZQLGRGJB-AAEUAGOBSA-N	277.320	1.874	10	20	CDCD	
COCCOCCN(C)Cc1cc(F)cc(F)c1O	708415431	YEWAYMLEJBCWKE-UHFFFAOYSA-N	275.295	1.765	10	20	CDCD	
O=C1C[C@H](CNCc2ccc(N3CCCC3)cc2)CN1	398434944	FWRZFYYEBLHTOJ-CQSZACIVSA-N	273.380	1.513	10	20	CDCD	
COc1cccc(CNC(C)(C)CN(C)C)c1O	308613552	LXUOJSPXZAJVAY-UHFFFAOYSA-N	252.358	1.831	10	20	CDCD	
CN(CC(=O)Nc1nncs1)c1ccc2c(c1)OCO2	178878235	QDDWVWHIZGSUDJ-UHFFFAOYSA-N	292.320	1.342	10	20	CDCD	
Cn1ccnc(NCc2ccc(N3CCCC3)cc2)c1=O	172822542	SIJWPOHSTSCSCG-UHFFFAOYSA-N	284.363	1.993	10	20	CDCD	
CCO[C@@H](C)C(=O)NCc1ccc(N2CCOCC2)cc1	66485546	URWAEWQKBLDFQK-ZDUSSCGKSA-N	292.379	1.564	10	20	CDCD	
Cc1cncc(C(=O)NCCc2ccc(O)c(O)c2)c1	122773797	VIBVKFXMIKLUID-UHFFFAOYSA-N	272.304	1.774	10	20	CDCD	
O=C(Cc1cccnc1)NCCc1ccc(O)c(O)c1	122102201	BXIDDYVJOVBSAX-UHFFFAOYSA-N	272.304	1.394	10	20	CDCD	
CC(C)c1nncn1CCNC(=O)c1cccc(O)c1O	185693658	RZDWLXJFAJSMJE-UHFFFAOYSA-N	290.323	1.243	10	20	CDCD	
CC(C)(C)S(=O)(=O)CCNC(=O)Cc1ccc(N)cc1	236586424	ZXTZMBODVDKITH-UHFFFAOYSA-N	298.408	1.141	10	20	CDCD	
CCO[C@H]1C[C@H]1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	186394765	ZCVAKVSYYBJKTL-PXWWUCIGSA-N	279.336	1.570	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)c1ncc(F)cc1F	192177738	RXADYTNICLKXEQ-UHFFFAOYSA-N	294.257	1.744	10	20	CDCD	
Cc1nn(C)cc1[C@@H](C)NC(=O)c1cccc(O)c1O	193014436	BDYLJHFAGJFJRQ-MRVPVSSYSA-N	275.308	1.631	10	20	CDCD	
CCN1CCCN(Cc2ccc(N(C)C)cc2)CC1=O	191537920	GEXHWNXYWJUJLK-UHFFFAOYSA-N	275.396	1.807	10	20	CDCD	
Oc1ccc(F)cc1CN1CCOC[C@]12CCOC2	195016143	FEWRSQHUEKSVGQ-CQSZACIVSA-N	267.300	1.523	10	20	CDCD	
Cc1ccc(C(=O)N[C@H](C)c2cnn(C)c2)c(O)c1O	97059425	YMZJEHHJOASXRO-SECBINFHSA-N	275.308	1.631	10	20	CDCD	
O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cccc(O)c1O	230107854	ZHNFNFUAOPHNPF-UHFFFAOYSA-N	290.231	1.964	10	20	CDCD	
CC[C@@](C)(NC(=O)Cc1ccc(N)cc1)C(=O)OC	269220717	KCMWUTBZRPMRDE-CQSZACIVSA-N	264.325	1.269	10	20	CDCD	
CCOc1cccc(CN2CC[S@@](=O)C[C@H](C)C2)c1O	277432194	JOKVFPLOPNZTON-MPBGBICISA-N	297.420	1.991	10	20	CDCD	
COC(=O)[C@H](NCc1ccc(OC)c(C)c1)[C@@H](C)O	276492872	VUMJQLFEDDMWRS-ZWNOBZJWSA-N	267.325	1.016	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCOC[C@H]1[C@@H]1CCCO1	376231963	UBXSTVABHHRFMW-AAEUAGOBSA-N	293.319	1.118	10	20	CDCD	
CN(C)c1ccc(CN2CC[C@H](S(C)(=O)=O)C2)cc1	282204589	OCTYBVOLZHWQNO-AWEZNQCLSA-N	282.409	1.372	10	20	CDCD	
Cc1ccc(C(=O)NC[C@H]2CCOC[C@H]2C)c(O)c1O	287083263	YIUAGKQGCUNCOC-GHMZBOCLSA-N	279.336	1.809	10	20	CDCD	
CO[C@H]1COC[C@@H]1N[C@@H](C)c1cc([N+](=O)[O-])ccc1O	290015148	BWYJUZKSNMBASB-QWRKXWFKSA-N	282.296	1.365	10	20	CDCD	
CN(Cc1ccccc1O)C[C@@H](O)COCC(F)(F)F	293022975	VNAUUKBYCDWQMV-LLVKDONJSA-N	293.285	1.764	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N2C[C@@H]3[C@@H](CO)[C@@H]3C2)cc1	813560514	FAZKKUYWSMMWAO-FICVDOATSA-N	289.379	1.132	10	20	CDCD	
NC(=O)CC1(CNCc2cc(Cl)cc(F)c2O)CC1	817411792	ZNSRRERGVVANGY-UHFFFAOYSA-N	286.734	1.930	10	20	CDCD	
CN(C)c1ccc(CN2CC[C@@H]3[C@H](C2)[C@@H]3C(=O)O)cc1	721684576	OHRVXTGYULCXTB-QLFBSQMISA-N	274.364	1.905	10	20	CDCD	
CCOc1ccc(O)c(CN2CCO[C@@H](C(=O)O)C2)c1	820387729	YIFPBXONYXSPSD-CYBMUJFWSA-N	281.308	1.076	10	20	CDCD	
CC[C@H](O)[C@H](C)C(=O)N1CCOc2cc(N(C)C)ccc21	900894949	KOUGWYBVWILNSR-FZMZJTMJSA-N	292.379	1.885	10	20	CDCD	
CCO[C@H]1C[C@@H](NC(=O)NCc2cccc(OC)c2O)C1	838749115	QUCZBMUYTVSNQB-TXEJJXNPSA-N	294.351	1.768	10	20	CDCD	
COc1ccc(CNC(=O)C(C)(C)CN)c(O)c1	832178896	ZKHONIMCVMURDD-UHFFFAOYSA-N	252.314	1.002	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)C[C@H]2CCC(=O)N2)c1	830541041	RDJKPDFNIYVYIZ-VHSXEESVSA-N	292.335	1.247	10	20	CDCD	
NCc1ccc2c(c1)CCCN2CC(=O)Nc1ccon1	843350768	YLNLFOQDTMIUFW-UHFFFAOYSA-N	286.335	1.525	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2C[C@H](CN)C[C@H]2C)c1O	843056952	DCSRJWJQSMDUFD-ZJUUUORDSA-N	295.339	1.478	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN[C@H](CO)c1cnn(C)c1	840936596	MAXUGZVLRVPKRZ-MRXNPFEDSA-N	288.395	1.618	10	20	CDCD	
Oc1ccc(F)cc1CN[C@H]1CC12CCNCC2	841081330	ZXMCADDKGQLESR-ZDUSSCGKSA-N	250.317	1.763	10	20	CDCD	
C[C@@H]1CCCN(C(=O)C(=O)NCCc2ccc(N)cc2)C1	842237117	BCHMOIXTVYFSFH-GFCCVEGCSA-N	289.379	1.186	10	20	CDCD	
CNCCN(C)Cc1cc(OC)c(OC)cc1O	843057933	ZQGVADRVWIUJTQ-UHFFFAOYSA-N	254.330	1.061	10	20	CDCD	
C[C@]1(CNC(=O)NCCc2ccc(N)cc2)CCCNC1	841955504	FHAVITSBOOBLNT-INIZCTEOSA-N	290.411	1.500	10	20	CDCD	
COc1cccc([C@H](C)N[C@@H](CO)c2cnn(C)c2)c1O	846158244	VOIJFQFCQFHFTB-GWCFXTLKSA-N	291.351	1.519	10	20	CDCD	
CCCN(Cc1ccccc1O)C[C@@H](O)[C@H](C)O	929753350	NXBPINKQXZBPBB-SMDDNHRTSA-N	253.342	1.346	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)NC/C=C/CO)cc1	853457856	XVVGTEILPIVVRU-AATRIKPKSA-N	291.395	1.881	10	20	CDCD	
O=[N+]([O-])c1ccc(O)c(CN[C@@H](CO)CC(F)F)c1	758616261	RCOXGQQRJLMWFH-MRVPVSSYSA-N	276.239	1.406	10	20	CDCD	
CCOC(=O)[C@@H](C)CNC(=O)c1cc(O)cs1	752815909	OXJBWRYBAYYRBA-ZETCQYMHSA-N	257.311	1.383	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN=c1cc[nH]cc1C(N)=O	762800758	DZBDBVCZOPXSND-UHFFFAOYSA-N	284.363	1.589	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)c2nc[nH]n2)c1	761967263	JWUYGBUTOFHRPI-ZETCQYMHSA-N	262.269	1.010	10	20	CDCD	
CO[C@]1(CNC(=O)N[C@H](C)c2ccccc2O)CCOC1	868503457	WOBBHDOHGBVRGT-ABAIWWIYSA-N	294.351	1.558	10	20	CDCD	
CCc1nc([C@H](C)NC(=O)c2cc(O)cs2)n[nH]1	763221705	DMPBWPAYSJTMBE-LURJTMIESA-N	266.326	1.625	10	20	CDCD	
CC(C)N(CC(N)=O)Cc1cc(F)c(N(C)C)cc1F	862212777	LKUWYZSAOLARFS-UHFFFAOYSA-N	285.338	1.727	10	20	CDCD	
COc1cccc(O)c1CN1CC(=O)N[C@H]2CCCC[C@@H]21	769193359	XZRRWVFGAXPYMH-STQMWFEESA-N	290.363	1.644	10	20	CDCD	
CC[C@@H](NC(=O)c1cc(O)cs1)[C@H](O)C(F)(F)F	766249772	PNEYPKXDBHSNOQ-SVRRBLITSA-N	283.271	1.885	10	20	CDCD	
CN(C(=O)[C@@H]1CNCCC1(F)F)c1ccc(N)cc1	877077482	JZUMQZSHCKMXSN-NSHDSACASA-N	269.295	1.476	10	20	CDCD	
COc1cc(O)c(CN[C@@H](CO)C2CC2)cc1OC	776176643	ALHUOUPGDGOPCV-NSHDSACASA-N	267.325	1.270	10	20	CDCD	
CN1CCN(c2ccc(CNCCN3CCC3)cc2)CC1	771855126	HHBYNGUZZQLJRU-UHFFFAOYSA-N	288.439	1.234	10	20	CDCD	
Cc1cccc(O)c1CNCCn1cc([N+](=O)[O-])cn1	877095733	SQZZPWIOOIIBEI-UHFFFAOYSA-N	276.296	1.595	10	20	CDCD	
NC(=O)[C@H](OC(=O)c1cccc(O)c1O)c1ccccc1	776282142	PNVUSYCHFWVAEH-CYBMUJFWSA-N	287.271	1.481	10	20	CDCD	
CC[C@@H]1COCCN1CCNC(=O)Cc1ccc(N)cc1	877432116	ASWXHTMZFSTOOU-OAHLLOKOSA-N	291.395	1.038	10	20	CDCD	
CCN(C)c1ccc(CN2CCN(C)C(=O)[C@H]2C)cc1	773852160	XMXYFGZZAGXDBH-CYBMUJFWSA-N	275.396	1.805	10	20	CDCD	
CCOCC(=O)N[C@@H](C)c1ccc(N(C)C)cc1	773007743	JADSDAYAQFIGOF-NSHDSACASA-N	250.342	1.966	10	20	CDCD	
C[C@H]1COCCN1CCN[C@H](C)c1ccccc1O	783507649	CVYDOBVYQFQNRI-QWHCGFSZSA-N	264.369	1.764	10	20	CDCD	
COCCONC(=O)N[C@H](C)c1cc(OC)ccc1O	789352794	GLQIKUQPOHIRAV-SECBINFHSA-N	284.312	1.339	10	20	CDCD	
COCC[C@@]1(NCc2cc(F)cc(F)c2O)CCOC1	883105481	LADSEDZLTSRVSR-CQSZACIVSA-N	287.306	1.956	10	20	CDCD	
Cc1ccc(C(=O)N[C@H](C)C[C@@H](C)O)c(O)c1O	783631224	MXQCFBWMTYCJJX-RKDXNWHRSA-N	253.298	1.295	10	20	CDCD	
CCN(C)C(=O)[C@H](C)N[C@@H](C)c1cc(OC)ccc1O	188501302	UDTAXLMLRLNFGU-QWRGUYRKSA-N	280.368	1.918	10	20	CDCD	
CNC(=O)C1CCN(Cc2c(O)cccc2OC)CC1	768218076	YMYIKFVHAICKFZ-UHFFFAOYSA-N	278.352	1.359	10	20	CDCD	
COC(=O)c1cnc(SCc2nc[nH]n2)s1	1327567399	VFYFVOWQOKZPPM-UHFFFAOYSA-N	256.312	1.340	10	20	CDCD	
C[C@@H]1CCC[C@@H]1NC(=O)C(=O)NCCc1ccc(N)cc1	1325729350	NAPKULQWLREYJX-RISCZKNCSA-N	289.379	1.232	10	20	CDCD	
COc1ccc(CNC[C@]2(O)CCSC2)c(O)c1OC	1333697735	KTEZXKRCELKDDK-CQSZACIVSA-N	299.392	1.367	10	20	CDCD	
Cn1cnc(/C=C/C(=O)N2C[C@@H](N)Cc3ccccc32)c1	1343685818	HUELEEDEGLIHEJ-YBJDMEARSA-N	282.347	1.350	10	20	CDCD	
COC(=O)[C@@H](NCc1ccc(N2CCCC2)cc1)[C@@H](C)O	1262114018	IPLQXIWDNZALFE-DOMZBBRYSA-N	292.379	1.299	10	20	CDCD	
CCc1cc(CNCc2ccc(OC)c(OC)c2O)n[nH]1	1342946101	CVVSVZKFMGQACC-UHFFFAOYSA-N	291.351	1.985	10	20	CDCD	
C[C@H](N=c1cc[nH]c(C(=O)O)n1)c1ccccc1O	1607461153	BNHRLMNKVZUGGY-QMMMGPOBSA-N	259.265	1.475	10	20	CDCD	
CCCOC(=O)[C@@H](C)N(C)c1ccc(OCC(=O)O)cc1	1609980362	XOWAFNSDYDMFIG-LLVKDONJSA-N	295.335	1.928	10	20	CDCD	
COc1cccc(CNC(=O)C2(CN)CCCC2)c1O	1574041446	HRMAVGQUMPRYKE-UHFFFAOYSA-N	278.352	1.536	10	20	CDCD	
C[C@H](NC(=O)c1cc(C(=O)O)no1)c1ccccc1O	1599900771	YVADQSUIYLDNRT-ZETCQYMHSA-N	276.248	1.569	10	20	CDCD	
C[C@H](CC(=O)O)NCc1ccc(N2CC[C@@H](O)C2)cc1	1776402041	QKAAMQKBHHCTRT-BXUZGUMPSA-N	278.352	1.210	10	20	CDCD	
COC[C@@H](O)CNCc1ccc2c(c1)CCCO2	922110621	PZJKCDUNPMIYNA-ZDUSSCGKSA-N	251.326	1.109	10	20	CDCD	
COc1ccc(O)c(CN2CCn3cnnc3C2)c1	156046688	WLABJODUIXHBJM-UHFFFAOYSA-N	260.297	1.008	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CCc2nnc[nH]2)cc1	176775994	UXWLLBVZCFILME-UHFFFAOYSA-N	273.340	1.120	10	20	CDCD	
Cn1cnc(/C=C/C(=O)N2C[C@H](N)Cc3ccccc32)c1	1343685817	HUELEEDEGLIHEJ-KTRBRXNASA-N	282.347	1.350	10	20	CDCD	
COC(=O)[C@H]1C[C@H]1C(=O)N(C)Cc1ccc(N(C)C)cc1	171357129	OMJITMLYDSOHSN-KGLIPLIRSA-N	290.363	1.520	10	20	CDCD	
CCOc1ccc(O)c(CN(C)CC2(O)CCOCC2)c1	188833561	NDALKUOVCLNVIU-UHFFFAOYSA-N	295.379	1.764	10	20	CDCD	
COc1ccc(O)c([C@H](C)NCCCN2CCOC2=O)c1	182321764	BVMKQUQGTAFLCZ-NSHDSACASA-N	294.351	1.894	10	20	CDCD	
C[C@@H]1OCCN(C(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1C	181214179	HKLHXNTZQLGTJF-LJRGRFNSSA-N	277.320	1.747	10	20	CDCD	
OC[C@H]1CC[C@@H](NCc2cc3c(cc2O)OCO3)CC1	151396672	QEMQYTSBAUDZHE-UMSPYCQHSA-N	279.336	1.762	10	20	CDCD	
CCN(C)C(=O)CN[C@@H](C)c1ccc(F)c(F)c1O	187925321	BLWZNPSKFVBHLQ-QMMMGPOBSA-N	272.295	1.799	10	20	CDCD	
CN(C)C(=O)CN1CCOc2cc(N(C)C)ccc21	130422725	KOEWNLLYDPOBBL-UHFFFAOYSA-N	263.341	1.040	10	20	CDCD	
CC[C@H](NCC[C@@H](O)COC)c1ccccc1O	156986760	AYGOYPXRRFWQIT-YPMHNXCESA-N	253.342	1.830	10	20	CDCD	
COc1ccc(N(C)CC(=O)N(C)C)c(OC)c1	131810484	QXJVKARMLDZQGY-UHFFFAOYSA-N	252.314	1.228	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1COCCO1	48121499	OGGYZCPANCWLSZ-HNNXBMFYSA-N	292.379	1.517	10	20	CDCD	
C[C@@H]1OCC[C@]1(O)CNCc1cc(Cl)ccc1O	227974263	PTCWAVSJWPDFJW-ZANVPECISA-N	271.744	1.675	10	20	CDCD	
COC[C@@H](C)NC(=O)NC(=O)CSc1nccs1	48874817	UIBFWFOKWOEJSF-SSDOTTSWSA-N	289.382	1.096	10	20	CDCD	
CCc1nn(C)cc1C(=O)NCc1ccc(N(C)C)cc1	92216585	FLCALVIPRNTEBW-UHFFFAOYSA-N	286.379	1.979	10	20	CDCD	
COc1cccc(CN(C)CCN2CCCC2=O)c1O	93320385	ALXLVCIRCVCZHY-UHFFFAOYSA-N	278.352	1.455	10	20	CDCD	
COc1cccc(CN2CCO[C@@H]([C@H]3CCCO3)C2)c1O	247230829	WHKUQZJOHJSEED-UKRRQHHQSA-N	293.363	1.781	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1ccco1	274910128	IRAHFIGPFFDURL-SNVBAGLBSA-N	275.304	1.981	10	20	CDCD	
COCCOCCOCCCNCc1ccccc1O	274346972	AFNRTCJGOMPXRW-UHFFFAOYSA-N	283.368	1.552	10	20	CDCD	
COC(=O)C1(NC(=O)c2ccc(C)c(O)c2O)CCC1	272747066	NIXVNWRXGOZMNP-UHFFFAOYSA-N	279.292	1.232	10	20	CDCD	
CC(C)(C)OC(=O)CNC(=O)/C=C/c1ccc(O)c(O)c1	272401025	HUTHITDQUGIICN-FNORWQNLSA-N	293.319	1.569	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)C(=O)O)cc1	274157672	KDPFEDXIFIIPJO-UHFFFAOYSA-N	250.298	1.234	10	20	CDCD	
CN(C)c1ccc([C@H]2NC(=O)[C@H]3CSCCN32)cc1	270795180	MPVPCRHKUSDYKO-OLZOCXBDSA-N	277.393	1.298	10	20	CDCD	
Cc1ccc([C@@H](C)N[C@H](C)C(=O)NCCF)c(O)c1	282489949	HQLDOZVVKANRTR-GHMZBOCLSA-N	268.332	1.825	10	20	CDCD	
C[C@H](NC[C@@H](CO)[C@H]1CCOC1)c1cc(F)ccc1O	280900054	PROYVQQRHZGBOH-SRVKXCTJSA-N	283.343	1.827	10	20	CDCD	
Cc1nc([C@@H](C)NC(=O)c2cc(O)cs2)n[nH]1	807755264	XBMWALPNGIVIPO-RXMQYKEDSA-N	252.299	1.371	10	20	CDCD	
N#Cc1ccccc1OCC(=O)NCc1ccccc1O	393351665	PCBWYGDCKGRITJ-UHFFFAOYSA-N	282.299	1.959	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)CCC(C)(C)N	649347594	HFCPSVNJOLREMQ-UHFFFAOYSA-N	291.395	1.996	10	20	CDCD	
O=C1N=C(N2CCCCC2)S/C1=C\c1ccc(=O)[nH]c1	901435935	KVCKJNSCGLYFDM-FLIBITNWSA-N	289.360	1.831	10	20	CDCD	
COC[C@](C)(CC(=O)O)NC(=O)c1ccc(C)c(O)c1O	833722353	SFBXPGRAZBIVHK-AWEZNQCLSA-N	297.307	1.016	10	20	CDCD	
CCc1noc(COC(=O)c2cc(O)cs2)n1	732353107	CUZSZQAYWOXUEZ-UHFFFAOYSA-N	254.267	1.756	10	20	CDCD	
O=C(c1cc(O)cs1)N1CC[C@@H](CCCO)C1	839792938	QFIFBZDHEKTHQM-SECBINFHSA-N	255.339	1.688	10	20	CDCD	
CC(C)[C@@]1(C)C[C@@H]1NC(=O)C(=O)Nc1ccc(N)cc1	841141945	SFJVJUCBQUPSLO-SWLSCSKDSA-N	275.352	1.758	10	20	CDCD	
CN(C)c1ccc([C@H](N)CN[C@@H]2CCC[C@@H](N)C2)cc1	848714633	FKOIIJQIMGHOLN-IIAWOOMASA-N	276.428	1.612	10	20	CDCD	
CCN(CC)c1ccc(CNC[C@@H]2CNC(=O)C2)cc1F	840955884	ZRCUVSXWYSJQDO-CYBMUJFWSA-N	293.386	1.898	10	20	CDCD	
CCOC[C@@H]1CCN(C(=O)NCCc2ccc(N)cc2)C1	841959399	WTLLMTGZAPUXLS-CQSZACIVSA-N	291.395	1.879	10	20	CDCD	
CN(Cc1ccc(N2CCOCC2)cc1)C1CCNCC1	843045849	LAZIJMLHVSQLMC-UHFFFAOYSA-N	289.423	1.707	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)N[C@@H]1CC[C@H](CN)C1	842010856	OTLAGWOVUJXZCW-WCQYABFASA-N	277.368	1.661	10	20	CDCD	
CCOc1ccc(O)c(CNC[C@@H]2CC(=O)N(CC)C2)c1	846094906	VAOLRIDMYVCTAI-LBPRGKRZSA-N	292.379	1.749	10	20	CDCD	
CCOc1ccc(CN(C)CCCNC)c(O)c1	841104348	PIFDHKZEIBWFBS-UHFFFAOYSA-N	252.358	1.832	10	20	CDCD	
N[C@H](CNCc1cc2c(cc1O)OCO2)c1ccccc1	841034814	CZNPQGHYNHARIR-CYBMUJFWSA-N	286.331	1.911	10	20	CDCD	
Cc1cc(COC(=O)/C=C\c2ccc(O)c(O)c2)nn1C	759588654	NCCBAGJXVDPXLV-XQRVVYSFSA-N	288.303	1.896	10	20	CDCD	
COc1cc(Cl)cc(CN[C@H]2COC[C@H]2OC)c1O	839191821	GDPBOLZNXUHSDG-CMPLNLGQSA-N	287.743	1.558	10	20	CDCD	
COc1cccc(CN(CCCO)C2CC2)c1O	769404617	MLFTYRPIQHHPBJ-UHFFFAOYSA-N	251.326	1.748	10	20	CDCD	
CN(C)CCn1cc(C(=O)NCc2ccccc2O)cn1	866755510	KMYKAUAFDHMYNW-UHFFFAOYSA-N	288.351	1.080	10	20	CDCD	
C[C@@H]1CN(C(=O)c2cc(O)cs2)CC[S@](=O)C1	762924155	YKLFCJRGATUDFD-RBHXEPJQSA-N	273.379	1.294	10	20	CDCD	
C[C@@H](C(=O)NCc1ccc(O)c(O)c1)n1cccn1	768920819	XVFIBZGYGZYXDH-VIFPVBQESA-N	261.281	1.172	10	20	CDCD	
CCOc1ccc(CN2CCN3C(=O)CC[C@@H]3C2)c(O)c1	769206534	OZQXNXILVQXDIX-CYBMUJFWSA-N	290.363	1.598	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)c2cc3n(n2)CCO3)c1	862756544	ZXYCJIDAVOHWIM-UHFFFAOYSA-N	273.292	1.220	10	20	CDCD	
C[C@@H]1CN(Cc2cc3c(cc2O)OC[C@@H]3O)CC(C)(C)O1	768441530	DBSYLOXVBRPXTE-YGRLFVJLSA-N	293.363	1.817	10	20	CDCD	
CCCN(CCO)Cc1ccc(N2CCC(O)CC2)cc1	876538334	PDMODZGUKPSJKD-UHFFFAOYSA-N	292.423	1.852	10	20	CDCD	
CC(C)CN(C)C(=O)C(=O)N(C)Cc1ccccc1O	1117844107	ZNGJIXAKGZIOKU-UHFFFAOYSA-N	278.352	1.465	10	20	CDCD	
C[C@@H](NC[C@H]1C[C@H](O)C1)c1cc([N+](=O)[O-])ccc1O	872127512	WMBCJXXXKRWJNC-FXPVBKGRSA-N	266.297	1.722	10	20	CDCD	
O=C(COC(=O)c1cccc(O)c1O)Nc1ccccc1	776281847	LMENPBISDHPJEJ-UHFFFAOYSA-N	287.271	1.893	10	20	CDCD	
CC(C)(O)CCNCc1ccc(N2CCC(O)CC2)cc1	877422832	YQKWPVATDZAWAF-UHFFFAOYSA-N	292.423	1.898	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](O)C(C)(C)C	773766974	FLPMEKWYXZOJQH-TVQRCGJNSA-N	281.352	1.552	10	20	CDCD	
O=C1C[C@@H](NCc2cc(F)cc(F)c2O)CN1C1CC1	883027408	AHCNWBLKYFQQPA-SNVBAGLBSA-N	282.290	1.523	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)CC(C)(C)CN	1121926985	UHBAZSHBIRSFKH-UHFFFAOYSA-N	291.395	1.853	10	20	CDCD	
C[C@H](O)C[C@@H](C)NC(=O)/C=C\c1ccc(O)c(O)c1	783628139	LWKDOSKCQJKGGJ-ZUJXDTADSA-N	265.309	1.387	10	20	CDCD	
CC(F)(F)CC(=O)OCC(=O)c1ccc(O)c(O)c1	784968992	HXYKYJMFKRSVLF-UHFFFAOYSA-N	274.219	1.869	10	20	CDCD	
CC(=O)N1C[C@@H]2CN(Cc3cc(Cl)ccc3O)C[C@@H]2C1	895576228	KRWNPGMKPADWFF-BETUJISGSA-N	294.782	1.956	10	20	CDCD	
COC(=O)c1ccc(N(C)Cc2ccccc2O)nn1	302596515	BFIINYVYLABXRQ-UHFFFAOYSA-N	273.292	1.605	10	20	CDCD	
COc1ccc(CN2CCC[C@@]2(C)CO)c(O)c1OC	893885370	YJGJGFOVZXIUGZ-HNNXBMFYSA-N	281.352	1.756	10	20	CDCD	
CS[C@H](CO)[C@@H](C)NCc1cc(C)ccc1O	219056980	ONVOSZUYPBTACD-ZWNOBZJWSA-N	255.383	1.903	10	20	CDCD	
O=C1OCC[C@@H]1NCc1ccc(Br)cc1O	895807993	FZFZEAMLJODSQO-VIFPVBQESA-N	286.125	1.560	10	20	CDCD	
COC(=O)[C@](C)(CO)NCc1ccc(OC)c(C)c1	894974708	GGKQMBVYOMXSSM-AWEZNQCLSA-N	267.325	1.017	10	20	CDCD	
COC(=O)[C@@H]1CCCN1Cc1ccc(OC)c(OC)c1O	891552452	HBQQKQMICGQCRG-NSHDSACASA-N	295.335	1.547	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CC(C)(C)O)cc1	279446035	BPVMBTSZWKDWMB-UHFFFAOYSA-N	250.342	1.530	10	20	CDCD	
CC[C@@H](C(=O)N[C@@H](C)c1cc(OC)ccc1O)C(=O)OC	790788407	WCAHPTPZCWTAFA-ONGXEEELSA-N	295.335	1.777	10	20	CDCD	
CN1CCC(O)(CNCc2cc(F)cc(F)c2O)CC1	708480098	DHGYLBDGJSBHAL-UHFFFAOYSA-N	286.322	1.217	10	20	CDCD	
COC(=O)N(C)CCNCc1cc(F)cc(F)c1O	708535586	NBQHHMIMKQJQTP-UHFFFAOYSA-N	274.267	1.458	10	20	CDCD	
Cn1nnc(CN(Cc2ccco2)Cc2ccccc2O)n1	799307617	MPCYRWGHINKGDX-UHFFFAOYSA-N	299.334	1.711	10	20	CDCD	
CC[C@H](CNCc1cc(F)cc(F)c1O)C(=O)O	1334407723	PGHJEJGMFGJHOC-SSDOTTSWSA-N	259.252	1.871	10	20	CDCD	
CC(C)[C@@H](C(=O)NCc1ccc(N)cc1)N1CCCC1=O	1524018795	NXAJYVRPIDODQD-HNNXBMFYSA-N	289.379	1.532	10	20	CDCD	
CN(C)c1ccc(CN(C)c2cc(C(=O)O)ncn2)cc1	1606053829	AZFZAXMGDPUTNW-UHFFFAOYSA-N	286.335	1.877	10	20	CDCD	
Cc1ccc(O)c(CN[C@]2(CC(=O)O)CCCOC2)c1	1600464557	GJQSSAWBSHBRAG-HNNXBMFYSA-N	279.336	1.814	10	20	CDCD	
Cc1cccc(CN2CC(c3cc(C(=O)O)n[nH]3)C2)c1O	1600532820	WWEIDYHORMEYOR-UHFFFAOYSA-N	287.319	1.721	10	20	CDCD	
CCOCc1cc(CN[C@H](CF)C(=O)O)ccc1OC	1610037050	HENQNZCDKMYUSP-GFCCVEGCSA-N	285.315	1.744	10	20	CDCD	
CO[C@H]1C[C@@H](NC(=O)c2cccc(O)c2O)C1(C)C	229413188	IGXHKEWYKVLCBC-MNOVXSKESA-N	265.309	1.641	10	20	CDCD	
C[C@H]1CC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CN1	1576667907	WLHWZUHSKLYLJJ-JOYOIKCWSA-N	289.339	1.719	10	20	CDCD	
O=C(N[C@@H]1CCCNC1)c1cc2cc(O)c(O)cc2s1	1580608216	RQQYTHBWWNYDLE-SECBINFHSA-N	292.360	1.794	10	20	CDCD	
CCCC[C@@H](NCc1ccc2c(c1)CCO2)[C@H](O)C(=O)O	1776774885	RQHBLYLHZUSXAM-HIFRSBDPSA-N	293.363	1.715	10	20	CDCD	
COc1ccc2c(c1)CCN2[C@H](C(=O)O)[C@@H](C)OC	1777373320	KUBOHTQXNHWHPD-RNCFNFMXSA-N	265.309	1.546	10	20	CDCD	
COc1ccc(O)c([C@H](C)NCCN(C)OC)c1	850479227	NXOJIVAXXNTMRM-JTQLQIEISA-N	254.330	1.545	10	20	CDCD	
COC(=O)[C@H](CC(C)C)NC(=O)Cc1ccc(N)cc1	37019565	UBSMZDVCGIMFKR-ZDUSSCGKSA-N	278.352	1.515	10	20	CDCD	
Cc1nn(C)c(C)c1CC(=O)NCc1ccccc1O	299533438	HGMVRFXCTXWBQW-UHFFFAOYSA-N	273.336	1.601	10	20	CDCD	
CC(=O)NC1CCN(Cc2cc(F)cc(F)c2O)CC1	708433460	KAJGYNXJRFTPIR-UHFFFAOYSA-N	284.306	1.771	10	20	CDCD	
C[S@](=O)C1(CNCc2cc(F)cc(F)c2O)CC1	708534643	CCZOVUHKWZOKPR-SFHVURJKSA-N	275.320	1.671	10	20	CDCD	
Cn1ncnc1CNCc1cc(Cl)ccc1O	389305507	MKYFPFOKPUNFJU-UHFFFAOYSA-N	252.705	1.464	10	20	CDCD	
NC(=O)[C@@H]1CC[C@H](NCc2cccc(Cl)c2O)C1	825279186	PPTHFKMUIZEZOW-SCZZXKLOSA-N	268.744	1.789	10	20	CDCD	
CN(C)c1ncc(CNC(=O)c2cc(O)cs2)n1C	101197385	OUWDSMLCLLOWEO-UHFFFAOYSA-N	280.353	1.183	10	20	CDCD	
Cc1ccc(C(=O)NCc2ccc(C(N)=O)o2)c(O)c1O	179534458	GDMNRQVEYWDBOH-UHFFFAOYSA-N	290.275	1.028	10	20	CDCD	
COc1cccc(CNC(=O)CN(C)C(C)C)c1O	105649365	TUGOKOHLUXLSBH-UHFFFAOYSA-N	266.341	1.357	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)NCCCO)cc1F	66978907	LYEUZZGHIIOFPT-UHFFFAOYSA-N	297.374	1.854	10	20	CDCD	
CN(C)c1ccc(CN2CCn3cnnc3C2)cc1	121810868	RRZKAPVYRLKVGD-UHFFFAOYSA-N	257.341	1.360	10	20	CDCD	
COc1cc(O)c(CN2CC[C@H]([C@H](C)O)C2)cc1OC	180865329	SJOGUTFUZKKDHW-QWRGUYRKSA-N	281.352	1.612	10	20	CDCD	
Cc1cnc2c(c1)N(C(=O)/C=C/c1cnn(C)c1)CCO2	126425479	FXRTZLZBTQGXMP-ONEGZZNKSA-N	284.319	1.562	10	20	CDCD	
COC[C@@H](O)CCN[C@H](C)c1ccc(F)cc1O	186202587	DUPINUGIBDYCNZ-KOLCDFICSA-N	257.305	1.579	10	20	CDCD	
C[C@H]1CCN(Cc2ccc(N(C)C)cc2)CCS1(=O)=O	192048075	KCIRTXNGBMVADG-ZDUSSCGKSA-N	296.436	1.762	10	20	CDCD	
OCCCSCCNCc1cc(F)ccc1O	226606476	MTBJNVQFDXUZOM-UHFFFAOYSA-N	259.346	1.737	10	20	CDCD	
COCCNC(=O)NCc1c(C)c2ccccc2n1C	349103295	NLPXSHPCECVTJZ-UHFFFAOYSA-N	275.352	1.932	10	20	CDCD	
CCS(=O)(=O)C[C@@H](C)N[C@@H]1CCc2cccc(O)c21	296880390	OEJBZQZOXAAAQO-ZYHUDNBSSA-N	283.393	1.792	10	20	CDCD	
C[C@H](O)CCNC(=O)NCc1ccc2c(c1)CCCN2C	265166018	NRPVRXZTVMFJIW-LBPRGKRZSA-N	291.395	1.639	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)CN(C)C	263896224	NWURKGQKNMESSP-UHFFFAOYSA-N	263.385	1.663	10	20	CDCD	
CCCN1CCCN(C(=O)c2cccc(O)c2O)CC1=O	276365905	BBQYEHCTXYZTKL-UHFFFAOYSA-N	292.335	1.182	10	20	CDCD	
COc1ccc(O)c(CN2CC[C@H](O)C(C)(C)C2)c1	275690332	ASASWIXMKUFZCF-AWEZNQCLSA-N	265.353	1.994	10	20	CDCD	
CN1CCCc2cc(CN3C(=O)NC(C)(C)C3=O)ccc21	272427286	MXTYSVKFUKSQRN-UHFFFAOYSA-N	287.363	1.899	10	20	CDCD	
CCOc1ccc(O)c(CN[C@H](C)c2ncn(C)n2)c1	275794328	JICUROWZUGQJLQ-SNVBAGLBSA-N	276.340	1.770	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2CCOC[C@@H]2C)c1O	278186993	HOCZWPLZNSPFBO-VIFPVBQESA-N	282.296	1.530	10	20	CDCD	
C[C@H](N[C@H](C)C(=O)NCCF)c1ccccc1O	282946630	ZAQYYVZLAZMEFX-VHSXEESVSA-N	254.305	1.517	10	20	CDCD	
CCOC(=O)C[C@@H](OC(=O)c1cccc(O)c1O)C(C)=O	805533036	WZTACAMBXQSDDV-LLVKDONJSA-N	296.275	1.165	10	20	CDCD	
C[C@H](N[C@H]1[C@@H]2CNC[C@@H]21)c1cc(Cl)ccc1O	817977395	JFVZRMDXNUDBML-UVRHIYEWSA-N	252.745	1.914	10	20	CDCD	
CN(CC1CC1)C(=O)COc1ccc(N(C)C)cc1	810000760	MIMOUJWXDXBDTK-UHFFFAOYSA-N	262.353	2.000	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)[C@@H]1CCCSC1	813489809	DAOGVSYSUGZFME-SNVBAGLBSA-N	267.350	1.857	10	20	CDCD	
CCNCCN[C@@H](C)c1cc(C(=O)OC)ccc1O	817953294	ZGAXBJJWNUGHCI-JTQLQIEISA-N	266.341	1.439	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2NCC2(C)C)c1	828666217	BWCSXIAAENVEPG-RNCFNFMXSA-N	278.352	1.576	10	20	CDCD	
CN(C)CC1CCN(C(=O)c2c(F)ccc(O)c2O)CC1	826056826	AVDKGXXCZFSSNK-UHFFFAOYSA-N	296.342	1.651	10	20	CDCD	
C[C@@H]1C[C@H](NCCCON)c2c(O)ccc(F)c21	902422959	HMVOXYALIQZNKG-SCZZXKLOSA-N	254.305	1.950	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)NCCCC(=O)O)c1	738041938	PQJCIHQHJXFJQS-SECBINFHSA-N	296.323	1.626	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@H]2[C@@H]3CCC(=O)[C@H]32)cc1	905317047	FECQITKLVBWOON-VHDGCEQUSA-N	272.348	1.594	10	20	CDCD	
COc1ccc(O)c(CN2CC(O)(C(C)C)C2)c1	839133897	XOWIBFZDJGRWQK-UHFFFAOYSA-N	251.326	1.604	10	20	CDCD	
O=C(NC1(CO)CCSCC1)c1cccc(O)c1O	838008815	DTVXMSWGQXJSKA-UHFFFAOYSA-N	283.349	1.086	10	20	CDCD	
Cc1nc(=NCc2cc(F)cc(F)c2O)n(C)[nH]1	905411882	RLUWYPZGAPAYBT-UHFFFAOYSA-N	254.240	1.141	10	20	CDCD	
CC[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C(OC)OC	834419614	ZTBPTWAWUXZJLT-LXSSAFMLSA-N	295.335	1.625	10	20	CDCD	
Cn1ncc(C2CC2)c1C(=O)NCc1ccc(O)cc1O	910943551	NINWVAIVJRLPNZ-UHFFFAOYSA-N	287.319	1.639	10	20	CDCD	
CCC[C@@H](OC)C(=O)OCC(=O)c1ccc(O)c(O)c1	837802870	CVRBKHKSFIXFEI-CYBMUJFWSA-N	282.292	1.639	10	20	CDCD	
COc1ccc(N(C)CCN(C)CCCN)cc1	844903056	ZJKGPVHGZZXFMJ-UHFFFAOYSA-N	251.374	1.412	10	20	CDCD	
C[C@H]1CCN(Cc2cc3c(cc2O)OCO3)C[C@@H]1CN	841101320	SMTBJTNXRLTOHK-JQWIXIFHSA-N	278.352	1.538	10	20	CDCD	
COc1cccc([C@@H](C)NC[C@]2(O)CCSC2)c1O	846144511	HIZQNLPZXRXDHC-QMTHXVAHSA-N	283.393	1.919	10	20	CDCD	
CC(C)N1CCC[C@H]1C(=O)NCCc1ccc(N)cc1	911783235	ROBJQKMFHZQQAO-HNNXBMFYSA-N	275.396	1.800	10	20	CDCD	
CC(C)SCC(=O)N(CC(=O)O)Cc1ccccc1O	911486488	OFVSHMGOCQAVAD-UHFFFAOYSA-N	297.376	1.947	10	20	CDCD	
O=S1(=O)CCN(Cc2ccccc2O)[C@@H](C2CCC2)C1	840955983	FLSXRJVSIWGNSN-CQSZACIVSA-N	295.404	1.791	10	20	CDCD	
COCCOC[C@H](C)NC(=O)NCc1ccccc1O	745789177	GBSCRMVAKJOYSS-NSHDSACASA-N	282.340	1.243	10	20	CDCD	
CC(C)(C)N1CC[C@@H](NC(=O)c2c(F)ccc(O)c2O)C1	857304182	XNIODYCCAJBGLW-SECBINFHSA-N	296.342	1.840	10	20	CDCD	
O=C(c1c(F)ccc(O)c1O)N1CC[C@H]2C[C@@H]2C1	857331441	WTQFXZDEQHNOSM-JGVFFNPUSA-N	251.257	1.719	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCc2c(O)ncnc2C1	753476471	PJTPCFYNOUGVHL-UHFFFAOYSA-N	277.305	1.148	10	20	CDCD	
O=C(CCC(=O)NC1CCCC1)NCc1ccccc1O	756001773	GTUFYRQNPLHPPS-UHFFFAOYSA-N	290.363	1.847	10	20	CDCD	
C[C@H]1CN(C(=O)c2cc(O)cs2)C[C@]1(C)CO	856248664	OWLJGSYPXMNPKK-QPUJVOFHSA-N	255.339	1.544	10	20	CDCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N1CC(F)C1	753197413	GJKFACGVYGQFQC-UHFFFAOYSA-N	275.327	1.926	10	20	CDCD	
CN1CCCC[C@H](CNC(=O)c2cc(O)cs2)C1	862792920	FWFJMBXSYZTXLL-SNVBAGLBSA-N	268.382	1.915	10	20	CDCD	
COc1ncncc1NC(=O)NCc1ccccc1O	761707094	OJZMLABYRHKKFG-UHFFFAOYSA-N	274.280	1.513	10	20	CDCD	
CCC[C@H]1CN(Cc2cc3c(cc2O)OC[C@@H]3O)CCO1	768465659	OPNIUDIDXUCFMJ-WFASDCNBSA-N	293.363	1.819	10	20	CDCD	
CN(CC[C@H]1CCS(=O)(=O)C1)c1ccc2c(c1)OCO2	760888202	RWEWMGDTIUYPGT-NSHDSACASA-N	297.376	1.676	10	20	CDCD	
C[C@@H](OC(=O)c1cccc(O)c1O)C(=O)NC(C)(C)C	776281498	FRSVTWDDIOLLOH-MRVPVSSYSA-N	281.308	1.558	10	20	CDCD	
C[C@H]1CCN(S(=O)(=O)Nc2ccc(O)cc2)C1	777905822	PCWUVZUXBDFCRJ-VIFPVBQESA-N	256.327	1.391	10	20	CDCD	
CN(C)c1ccc([C@H](CNC(=O)[C@@H]2C[C@H]2F)N(C)C)cc1	1121170462	HIYSSAGVYFAYCK-KFWWJZLASA-N	293.386	1.830	10	20	CDCD	
CC[C@@H](C)C(=O)OCC(=O)c1ccc(O)c(O)c1	782256499	XUTVWTPZZWKNCW-MRVPVSSYSA-N	252.266	1.870	10	20	CDCD	
CC[C@@](C)(CO)NCc1cc(C)cc(OC)c1O	894385676	VZMQMUIOQVCUPL-AWEZNQCLSA-N	253.342	1.960	10	20	CDCD	
COc1ccc(CN2Cc3cnn(C)c3C2)c(O)c1OC	895426004	HMDCSNGABUMHLV-UHFFFAOYSA-N	289.335	1.659	10	20	CDCD	
Oc1c(F)cc(F)cc1CN1CC[C@H]2CC[C@@H](C1)N2	708485834	OAQHOIROGDBMGN-NEPJUHHUSA-N	268.307	1.997	10	20	CDCD	
CC[C@@H](NCc1nnn(C)n1)c1ccc(F)cc1O	796970563	CWPRXHOWZXKXFB-SNVBAGLBSA-N	265.292	1.296	10	20	CDCD	
CCc1cccc(CNCCC(=O)NC(C)C)c1O	691437672	LQXWSWIXCFQTMV-UHFFFAOYSA-N	264.369	1.959	10	20	CDCD	
C[C@H]1CCNC(=O)[C@H]1NCc1ccc(N2CCCC2)cc1	1339876772	YRBWOUMFNSWQMU-BBRMVZONSA-N	287.407	1.901	10	20	CDCD	
C[C@H](NCc1nc[nH]n1)c1ccc(N2CCOCC2)cc1	1333586404	JDEWBGKTQBVLFW-LBPRGKRZSA-N	287.367	1.492	10	20	CDCD	
CCO[C@@H]1CCCN(C(=O)NCc2ccc(N)cc2)C1	1335732440	YGDMYMUOEJZTMC-CQSZACIVSA-N	277.368	1.979	10	20	CDCD	
CN(C[C@H]1CCC[C@@H]1O)C(=O)NCc1ccc(N)cc1	1353539913	QKDGWBCVCMOYQY-OCCSQVGLSA-N	277.368	1.571	10	20	CDCD	
O=C(N[C@@H](CC(F)F)C(=O)O)c1cc(O)cs1	1601406396	LVHZQMJDLXQKRN-YFKPBYRVSA-N	265.237	1.292	10	20	CDCD	
O=C(NC[C@H](C(=O)O)C1CCC1)c1c(F)ccc(O)c1O	1594736845	VZEMKARRYMMNIR-QMMMGPOBSA-N	297.282	1.468	10	20	CDCD	
CCn1ncnc1CSc1ncc(C(=O)O)s1	1597972677	HFJIOBCVNMHLKQ-UHFFFAOYSA-N	270.339	1.745	10	20	CDCD	
C[C@H]1CN(C(=O)c2c(F)ccc(O)c2O)CC[C@H]1C(=O)O	1599923715	VHAMURMUSUTHFD-JGVFFNPUSA-N	297.282	1.420	10	20	CDCD	
CCN(C)C(=O)[C@@H](C)NCc1ccc(OC)c(C)c1	231843110	HNNZTZWABKEWCD-GFCCVEGCSA-N	264.369	1.960	10	20	CDCD	
Cc1cc(C(=O)NCc2ccc(N(C)C)cc2)ncn1	161275911	PETGOMZQKVZSBE-UHFFFAOYSA-N	270.336	1.781	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)CNC(C)=O	154198638	BMBFGCMWQFYBIB-UHFFFAOYSA-N	277.368	1.237	10	20	CDCD	
Cc1cccc(O)c1CN[C@H](CO)C[C@@H]1CCCO1	895749640	UOQYBWLUBPAVHP-STQMWFEESA-N	265.353	1.720	10	20	CDCD	
COc1ccc(O)c([C@H](C)N[C@@H](C)c2nncn2C)c1	37017190	KJIOKISTMGKAPT-UWVGGRQHSA-N	276.340	1.941	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCCN1	37497467	OAWHHBPNBGLOGS-CQSZACIVSA-N	261.369	1.463	10	20	CDCD	
CN(CCc1nccs1)C(=O)c1cccc(O)c1O	185886545	VACKBJQSCPKYLT-UHFFFAOYSA-N	278.333	1.869	10	20	CDCD	
C[C@H]1CN(C(=O)Cc2ccc(N)cc2)CC[C@@H]1C(=O)O	312375680	QJIXBHWJZYAFGK-GWCFXTLKSA-N	276.336	1.381	10	20	CDCD	
c1cc2c(cc1CN[C@@H]1C[C@H]3CC[C@H]1NC3)CCO2	530247254	YUEMJVPHNSADAI-BPLDGKMQSA-N	258.365	1.852	10	20	CDCD	
C[C@H](NCc1nc(O)n[nH]1)c1ccc(N(C)C)cc1	392466804	SSHFWDAYRQLZHY-VIFPVBQESA-N	261.329	1.427	10	20	CDCD	
Cc1ccc(C(=O)N2CCS[C@H](C)C2)c(O)c1O	182380753	IASUBFYYJWNHCT-SECBINFHSA-N	267.350	1.984	10	20	CDCD	
CCOC(=O)c1cnn2c(O)cc(CN(C)C3CC3)nc12	52608048	GEAXDGJJDCTREJ-UHFFFAOYSA-N	290.323	1.206	10	20	CDCD	
CN(C)c1ccc(CN2CCC[C@@H]2CO)cc1F	119387072	KKLHHVUXPDVPAC-GFCCVEGCSA-N	252.333	1.848	10	20	CDCD	
COc1ccc(CNC[C@H]2CN3CCC[C@@H]3CO2)cc1C	112839497	WLZQDQUSSSRVSI-CVEARBPZSA-N	290.407	1.956	10	20	CDCD	
COC[C@H](C)CNC(=O)NCc1cc(OC)ccc1O	172078947	RTFGJFODXDFNAM-SNVBAGLBSA-N	282.340	1.483	10	20	CDCD	
CC[C@@H](C)NC(=O)[C@H](C)NC(=O)c1cccc(O)c1O	187037714	XNUNBNXFXJIHPK-BDAKNGLRSA-N	280.324	1.131	10	20	CDCD	
CC(C)(CNC(=O)Cc1ccc(N)cc1)C(=O)O	137512764	SDGCDEHFYHAPHI-UHFFFAOYSA-N	250.298	1.038	10	20	CDCD	
CCC[C@]1(NC(=O)c2cccc(O)c2O)CCOC1	287869107	NHILRUPCHMKHLW-AWEZNQCLSA-N	265.309	1.787	10	20	CDCD	
Nc1ccc(CCNC(=O)CCC2CCNCC2)cc1	238121325	FCWYBXMFRKTETN-UHFFFAOYSA-N	275.396	1.707	10	20	CDCD	
CCOc1ccc(O)c(CN2CCC[C@H]2CO)c1	92455975	JKUTUIRFTPKTIE-LBPRGKRZSA-N	251.326	1.748	10	20	CDCD	
Cc1cc(C(=O)N2CC[C@@H](N)C2)c(C)n1-c1ccccn1	237705579	MVFRIFABZNSRMP-CYBMUJFWSA-N	284.363	1.662	10	20	CDCD	
CCN(C)C(=O)CN(C)c1ccc(OC)cc1OC	269798573	IWFCJLFXPHGWNZ-UHFFFAOYSA-N	266.341	1.618	10	20	CDCD	
CN1CCCc2cc(CNC(=O)c3cncn3C)ccc21	277773807	SZSDDYZRUZPSPA-UHFFFAOYSA-N	284.363	1.733	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H](CO)CC(C)C)c1O	278909480	SHAFYLBPOUSOGS-LLVKDONJSA-N	298.339	1.806	10	20	CDCD	
C[C@H](NCCCS(C)(=O)=O)c1ccc(F)c(F)c1O	276979736	VQNFWVRBPKZGDQ-QMMMGPOBSA-N	293.335	1.756	10	20	CDCD	
Cc1n[nH]c(C)c1CC(=O)NCCc1ccc(O)c(O)c1	274985037	QHJROIKOLXLWNG-UHFFFAOYSA-N	289.335	1.339	10	20	CDCD	
O=C(NCCCO[C@H]1CCOC1)c1c(F)ccc(O)c1O	276572613	NHFKHDWVCYTIKH-VIFPVBQESA-N	299.298	1.162	10	20	CDCD	
COc1ccc(N(C)Cc2cnnn2C)c(OC)c1	289298352	CFBFGONOPCMBCG-UHFFFAOYSA-N	262.313	1.469	10	20	CDCD	
C[C@@H](NCc1ccc(N(C)C)c(F)c1)C(=O)NCCF	282783118	VWDYHQPGZXDGIR-SNVBAGLBSA-N	285.338	1.456	10	20	CDCD	
CNCCC(=O)NCc1ccc2c(c1)CCCN2C	285862984	ZEXAJAVGABUIPM-UHFFFAOYSA-N	261.369	1.295	10	20	CDCD	
COc1ccccc1-c1nnc(SCC(=O)C(C)=O)o1	808015946	SKRQHKWSMRZNDH-UHFFFAOYSA-N	292.316	1.995	10	20	CDCD	
COc1ccc(O)c([C@H]2NC(=O)CN2CC(C)C)c1	298795784	SXMQRAPOEQWDKY-AWEZNQCLSA-N	264.325	1.487	10	20	CDCD	
COc1cccc(CNC(=O)c2cccnc2F)c1O	806763627	WFHVEEHHAZOMPW-UHFFFAOYSA-N	276.267	1.865	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2ncn(C)n2)c1	810347869	NTGOEXMUWXTWJA-MRVPVSSYSA-N	276.296	1.020	10	20	CDCD	
C[C@H](O)CNCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	818967697	ZJLHGSWBBCEJJV-RWMBFGLXSA-N	296.386	1.910	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@](C)(O)C1CCC1	813481628	XPNFLKINXXLDDE-OAHLLOKOSA-N	263.337	1.902	10	20	CDCD	
CC[C@@](C)(O)C(=O)NCc1cc(Cl)ccc1O	823986758	NVHGMDHOCDGVRQ-GFCCVEGCSA-N	257.717	1.823	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2cc3n(n2)CCC3)c1	825839424	MEUIPXNLNMJNAW-UHFFFAOYSA-N	287.319	1.474	10	20	CDCD	
CN(C[C@H](N)CC(F)F)c1ccc2c(c1)OCO2	903902562	JQBHDDIZCZSHHT-MRVPVSSYSA-N	258.268	1.834	10	20	CDCD	
OCCCN1CCC[C@@H]1CNCc1cccc(Cl)c1O	824563822	DGQBRYOFUCAYQP-CYBMUJFWSA-N	298.814	1.982	10	20	CDCD	
CC(C)COC[C@H](NCc1ccc(N(C)C)cc1)C(=O)O	904066868	FRZNCNXSPZPDIB-HNNXBMFYSA-N	294.395	1.968	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@@H]2COC[C@H]2C)c1	903395002	JAFBHBAVIGJGIK-GBIKHYSHSA-N	279.336	1.864	10	20	CDCD	
C[C@@H](Cc1cnn(C)c1)C(=O)N(C)Cc1ccccc1O	837467427	GDJCYHINUKFAQH-LBPRGKRZSA-N	287.363	1.963	10	20	CDCD	
CC(C)OC[C@@H](C(=O)O)N(C)Cc1cccc(F)c1O	833505746	NAOBPQBXHBLITF-LBPRGKRZSA-N	285.315	1.841	10	20	CDCD	
COc1ccc(O)c(CN[C@@H]2C[C@H]3CCCCN3C2=O)c1	835075368	WYPBBWJKZIGYIW-TZMCWYRMSA-N	290.363	1.644	10	20	CDCD	
O=[N+]([O-])c1ccc(O)c(CN[C@H](CO)[C@@H]2CCCOC2)c1	839651841	SCIOHXMNKYBBJV-ZWNOBZJWSA-N	296.323	1.178	10	20	CDCD	
O=C(NCCc1nccs1)c1cc(O)cs1	732279043	FCBKJKVSRVHTHU-UHFFFAOYSA-N	254.336	1.883	10	20	CDCD	
Nc1ccc(CCNC(=O)[C@H]2CCc3cncn3C2)cc1	911781882	DBGVLMQCXLSRQE-ZDUSSCGKSA-N	284.363	1.387	10	20	CDCD	
O=C(NC[C@@]1(O)CCSC1)c1cc(O)cs1	748423432	OCOOKMZYPXXSGU-JTQLQIEISA-N	259.352	1.052	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)NCC1CNC1	841829231	YRGFSVDDVMYZNS-UHFFFAOYSA-N	276.384	1.080	10	20	CDCD	
CCc1cccc(CN2C[C@@H](C)O[C@@H](CO)C2)c1O	848906005	PLVLKWHZYHQMFR-BXUZGUMPSA-N	265.353	1.536	10	20	CDCD	
COc1ccc(CNC(=O)CCSCC(=O)O)c(O)c1	911716561	ASZGKKOEBPTYRK-UHFFFAOYSA-N	299.348	1.225	10	20	CDCD	
COC(=O)c1cnc(SC[C@H](O)Cn2cccn2)s1	840765189	BHKYCBYXKVGMQH-MRVPVSSYSA-N	299.377	1.279	10	20	CDCD	
COC[C@H](CO)N[C@@H](C)c1ccc(Cl)cc1O	841752597	PWJPYOGIUQTNLB-WPRPVWTQSA-N	259.733	1.704	10	20	CDCD	
CCc1cccc(CN2CCNC(=O)[C@@H]2C(C)C)c1O	848886868	XFJIRYBYMFLXQD-AWEZNQCLSA-N	276.380	1.911	10	20	CDCD	
CC[C@H]1CCCN1C(=O)C(=O)Nc1ccc(N)cc1	841028313	OLISRVYIUCXDBN-LBPRGKRZSA-N	261.325	1.608	10	20	CDCD	
C[C@@H](C(=O)O)N1CCOc2cc(N(C)C)ccc21	819895498	LEKQRLOJNJXFHX-VIFPVBQESA-N	250.298	1.425	10	20	CDCD	
C[C@H]1[C@@H](N(C)C)CCN1C(=O)c1cc(O)cs1	854649845	HKWSWQCSWKZNKN-WPRPVWTQSA-N	254.355	1.618	10	20	CDCD	
CCO[C@H]1COCC[C@@H]1NCc1cccc(OC)c1O	759173064	MJKSDYNRISMDPS-JSGCOSHPSA-N	281.352	1.684	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N2CCc3c[nH]nc3C2)cc1	750569187	FXMYKQSDEHBFGJ-UHFFFAOYSA-N	299.378	1.744	10	20	CDCD	
Cc1ccc(C(=O)OCC(=O)N2CCCCC2)c(O)c1O	750622880	QRWSNBRRKHFPKD-UHFFFAOYSA-N	293.319	1.576	10	20	CDCD	
COc1ccc(CNCCCN(C)CCN(C)C)cc1C	857784041	OERSEWJLLSREEE-UHFFFAOYSA-N	293.455	1.977	10	20	CDCD	
NCCCCCn1cc(COc2ccc(N)cc2)nn1	864628092	OKXLYZHYFZOUIK-UHFFFAOYSA-N	275.356	1.568	10	20	CDCD	
C[C@H]1C[C@@H](N[C@@H]2COCC[C@H]2O)c2c(O)ccc(F)c21	866498575	ZWPFGXVJYKYULQ-JTLRNRKASA-N	281.327	1.819	10	20	CDCD	
O=C(NCCc1ccc(CO)cc1)c1cc(O)cs1	776248093	JDDDUIAUCASHFB-UHFFFAOYSA-N	277.345	1.919	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)c1cn2ccccc2n1	778919613	HCNXIZVPXVLSPH-UHFFFAOYSA-N	283.287	1.676	10	20	CDCD	
C[C@@H](NC(=O)[C@H]1CCN(C)C1=O)c1ccc(N(C)C)cc1	775408794	BZVGHTGDGMKTRX-BXUZGUMPSA-N	289.379	1.408	10	20	CDCD	
O=[N+]([O-])c1ccc(O)c(CNC[C@H]2C[C@H](O)C2)c1	873177564	URYJLTQBYUYCAU-JLIMDTESSA-N	252.270	1.161	10	20	CDCD	
CCOC(=O)N1CC[C@@H](NC(=O)c2cc(O)cs2)C1	771742924	GYNCHYJQSHLVFD-MRVPVSSYSA-N	284.337	1.414	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)Nc1nnc2ccccn12	779497959	FCBMKXNCWBJJEB-ALCCZGGFSA-N	296.286	1.792	10	20	CDCD	
Cc1noc(CNC(=O)/C=C/c2ccc(O)c(O)c2)n1	779482863	HIJUMSLWNYCIIZ-HWKANZROSA-N	275.264	1.119	10	20	CDCD	
COc1ccc(O)c(CN(CC(N)=O)CC(C)C)c1	132899494	SCHNNFLTPIZKFE-UHFFFAOYSA-N	266.341	1.344	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@H](CCO)C2CC2)c1O	775023461	KGUWMWCQNULRML-LLVKDONJSA-N	296.323	1.560	10	20	CDCD	
Cn1cc(CNC(=O)/C=C\c2ccc(O)c(O)c2)cn1	779479985	PUGIMNLZDSVLNH-HYXAFXHYSA-N	273.292	1.161	10	20	CDCD	
COCCOCCN1CCN(Cc2ccc(N)cc2)CC1	1120371696	NRSXCVDXFKLTJC-UHFFFAOYSA-N	293.411	1.049	10	20	CDCD	
COCCn1c(-c2sccc2O)nnc1N(C)OC	1122354603	HLTLSRDTQGKYQA-UHFFFAOYSA-N	284.341	1.356	10	20	CDCD	
O=C(O)CNC(=O)NCc1ccc(N2CCCC2)cc1	780401062	RDOWKKGIHAYRDL-UHFFFAOYSA-N	277.324	1.171	10	20	CDCD	
Cc1cc(O)c(CN2CCN(CCO)C(C)(C)C2)cc1C	783714527	RDWJBQBWLLNUCC-UHFFFAOYSA-N	292.423	1.898	10	20	CDCD	
CN1CCN(c2ccc(CNc3cc(O)ncn3)cc2)CC1	895143781	BFAYSTAQDORJCZ-UHFFFAOYSA-N	299.378	1.546	10	20	CDCD	
COc1ccc(CN2CCCC[C@@H]2C(N)=O)c(O)c1OC	891489433	JHLWKJWWZHNYSI-LLVKDONJSA-N	294.351	1.249	10	20	CDCD	
C[C@@H]1CN(Cc2cc(F)cc(F)c2O)CC[C@@H]1O	894497751	PXGURUNVHIQPHX-PELKAZGASA-N	257.280	1.873	10	20	CDCD	
C[C@@H]1NC(=O)[C@H](C)N(Cc2cc(F)ccc2O)[C@H]1C	895119099	VGVMPHMYJRUPAQ-GUBZILKMSA-N	266.316	1.629	10	20	CDCD	
CCN(C)C(=O)[C@H](C)N[C@@H](C)c1ccccc1O	188496668	MAGZVHDHXFJZHC-QWRGUYRKSA-N	250.342	1.910	10	20	CDCD	
C[C@@H]1CCN(CCNC(=O)/C=C\c2ccc(O)c(O)c2)C1	1325051481	SAQNCTNTHINSFQ-KTLBGCOUSA-N	290.363	1.569	10	20	CDCD	
COc1ccc(N(C)CCN(C)C(=O)[C@@H]2C[C@H]2F)cc1	1338213043	FJYIUTNMBSTUOY-ZIAGYGMSSA-N	280.343	1.948	10	20	CDCD	
C[C@H]1CN(C(=O)C(=O)NCCc2ccc(N)cc2)C[C@@H]1C	1345198520	RZRORVFWQOFTSR-RYUDHWBXSA-N	289.379	1.042	10	20	CDCD	
CC(C)C[C@H](CN)NC(=O)NCc1ccc(N)cc1	1357667617	GSUVFNJUMHRJLW-CYBMUJFWSA-N	264.373	1.441	10	20	CDCD	
Nc1ccc(CNC(=O)NC[C@H]2CCCC[C@@H]2O)cc1	1357792514	ZXESVDCBDZOKDS-OCCSQVGLSA-N	277.368	1.619	10	20	CDCD	
COc1ccc(N2CC[C@H](CNC(=O)[C@H]3C[C@H]3F)C2)cc1	1518262817	MXCDHMVYWPVUTR-BYCMXARLSA-N	292.354	1.996	10	20	CDCD	
Cc1ccc(CN[C@@H](C(=O)O)c2ccnn2C)c(O)c1	1600418595	BEJLGMGBHQHBQR-CYBMUJFWSA-N	275.308	1.350	10	20	CDCD	
C[C@H](NC[C@]1(O)CCO[C@@H]1C)c1cc(C(=O)O)ccc1O	1609780694	VFWLVRJPWAWINH-FEUHOPSXSA-N	295.335	1.281	10	20	CDCD	
C[C@H]1CNC[C@@H](C)N1Cc1cc(F)cc(F)c1O	1579492794	YVRLIWZZDOBYTH-DTORHVGOSA-N	256.296	1.853	10	20	CDCD	
C[C@H]1CN(Cc2cc(F)ccc2O)C[C@@H](C(=O)O)O1	1599930136	QCDZZISOEINPKZ-UFBFGSQYSA-N	269.272	1.205	10	20	CDCD	
C[C@@H](NC(=O)CC[C@@H]1CCNC1)c1ccccc1O	870988105	GJRVZFHLYOMEMT-VXGBXAGGSA-N	262.353	1.959	10	20	CDCD	
C[C@H](NCCN1CCNC1=O)c1ccc(F)cc1O	886744795	GUWYQDDJFNYMKX-VIFPVBQESA-N	267.304	1.207	10	20	CDCD	
CCc1cccc(CNCCO[C@@H]2CCOC2)c1O	897202498	SVNWGLRKDZYFBI-CQSZACIVSA-N	265.353	1.850	10	20	CDCD	
NC(=O)COc1ccc(NCc2ccccc2O)cc1	37041192	IOBYVUVBWJZZCZ-UHFFFAOYSA-N	272.304	1.868	10	20	CDCD	
C1=CCN(CCNCc2ccc3c(c2)CCO3)CC1	279613689	AAPPHUDZTRVIPM-UHFFFAOYSA-N	258.365	1.973	10	20	CDCD	
O=C(CNCc1ccc2c(c1)CCO2)NCC(F)F	280346550	RXCPRVHDVGQDBI-UHFFFAOYSA-N	270.279	1.092	10	20	CDCD	
COC(=O)[C@@H](C)N1CCN(c2ccc(OC)cc2)CC1	49956582	YZKPUBQFZJDUNP-GFCCVEGCSA-N	278.352	1.379	10	20	CDCD	
C[C@H]1CS(=O)(=O)C[C@H]1NCc1ccc2c(c1)CCO2	288623915	RZPQPSVFTJQLFQ-GXFFZTMASA-N	281.377	1.144	10	20	CDCD	
CO[C@@H](C1CC1)[C@@H](C)NC(=O)c1cccc(O)c1O	388281553	MRXMXSLXWAIGGD-AMIZOPFISA-N	265.309	1.641	10	20	CDCD	
CN(CC(=O)NCc1ccc(N(C)C)cc1)CC(C)(C)O	177730058	FBJKJRKZLVSYRC-UHFFFAOYSA-N	293.411	1.072	10	20	CDCD	
Cc1cc(NC(=O)CN(C)Cc2ccccc2O)n(C)n1	111236462	KPULINWWGMSFRO-UHFFFAOYSA-N	288.351	1.505	10	20	CDCD	
CN(Cc1ccccc1O)C[C@@H](O)COCc1ccco1	305241776	RQMUKXNBQPDZEM-CQSZACIVSA-N	291.347	1.995	10	20	CDCD	
Cc1ccc(C(=O)N2CC[C@@]3(CCOC3)C2)c(O)c1O	179543359	PILJWHRSMNBRRA-OAHLLOKOSA-N	277.320	1.659	10	20	CDCD	
Nc1ccc(CNC(=O)[C@H]2CC23CCNCC3)cc1	1346209785	LPRRCNQXIQVQCL-CYBMUJFWSA-N	259.353	1.275	10	20	CDCD	
COc1cc(Cl)cc(CN2CC[C@@H](O)C2)c1O	184677616	WDKUEDHGCXXDNK-SNVBAGLBSA-N	257.717	1.621	10	20	CDCD	
COc1ccc(N2CCCN(C(=O)C(C)(C)O)CC2)cc1	188238794	OVQUFKZRKSYVNR-UHFFFAOYSA-N	292.379	1.505	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)Nc1ncnc2c1cnn2C	184147734	BQFALVYYTWNFHR-VIFPVBQESA-N	299.334	1.818	10	20	CDCD	
C[C@H](N[C@H]1CC(=O)N(C2CC2)C1)c1cc(F)ccc1O	186089422	VKHHEXYKRRDSKY-ONGXEEELSA-N	278.327	1.945	10	20	CDCD	
[N-]=[N+]=NCc1ccc(C(=O)N[C@H]2CCS(=O)(=O)C2)o1	1537962748	XRLVPKVMSYJVFL-ZETCQYMHSA-N	284.297	1.007	10	20	CDCD	
CNC[C@H](C)C(=O)N(C)Cc1ccc(N(C)C)cc1	92134179	KVUITZCDJRJOOE-LBPRGKRZSA-N	263.385	1.567	10	20	CDCD	
COc1cccc(CN(CCS(C)(=O)=O)C2CC2)c1O	93816554	OZPIMRQHSAHBNM-UHFFFAOYSA-N	299.392	1.410	10	20	CDCD	
CCN(Cc1ccc(N(C)C)c(C)c1)[C@H]1CCNC1=O	294047854	JEEXVQIQPQDGNI-HNNXBMFYSA-N	275.396	1.771	10	20	CDCD	
CC[C@@H]1CN(C(=O)c2c(F)ccc(O)c2O)C[C@H](C)O1	295357329	VVFNAMVJRWBGOV-DTWKUNHWSA-N	283.299	1.876	10	20	CDCD	
C[C@H]1C[C@@H](NCc2cnnn2C)c2c(O)ccc(F)c21	806659926	KCWYHNSPJGKTOE-GZMMTYOYSA-N	276.315	1.998	10	20	CDCD	
CCNC(=O)[C@@H](NCc1cc(OC)ccc1O)C(C)C	293685774	QEVAACQJJHGEHS-AWEZNQCLSA-N	280.368	1.651	10	20	CDCD	
C[C@H]1CN(Cc2ccc(N3CCCCC3)cc2)CC(=O)N1	294685811	AHMYTNRIRVDGAI-AWEZNQCLSA-N	287.407	1.997	10	20	CDCD	
COc1cccc(CNC(=O)N[C@@H]2CSC[C@@H]2C)c1O	807474263	FRMOQSMYTRUVAP-GXSJLCMTSA-N	296.392	1.952	10	20	CDCD	
C[C@@H](NC[C@@H](N)c1ccc(N(C)C)cc1)c1cnn(C)c1	817942452	OXKQUZFLSZGXHP-MLGOLLRUSA-N	287.411	1.837	10	20	CDCD	
O=S(=O)(CCOCC1CC1)Nc1ccc(O)cc1	818048696	XDOZWOKZICDAFS-UHFFFAOYSA-N	271.338	1.561	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)c2ncn(C)n2)c1	810347871	NTGOEXMUWXTWJA-QMMMGPOBSA-N	276.296	1.020	10	20	CDCD	
CCN(C)c1ccc(CN2CC[C@H](NC(C)=O)C2)cc1	817280258	BDLJKYOEIGOYOL-HNNXBMFYSA-N	275.396	1.853	10	20	CDCD	
CC[C@@H]1CN(C)CCN1C(=O)/C=C/c1ccc(O)c(O)c1	818977071	AALUMWVWKOQIEY-VUDGCMKMSA-N	290.363	1.664	10	20	CDCD	
Cc1ccc(O)c(CN2CC[C@H]3NC(=O)CC[C@H]3C2)c1	827131859	DWQNNRWXMDRRSY-GXTWGEPZSA-N	274.364	1.801	10	20	CDCD	
CCOc1ccc(CN2CCc3nn[nH]c3C2)c(O)c1	827884968	MSJGEWURAKDEQR-UHFFFAOYSA-N	274.324	1.467	10	20	CDCD	
Cc1cc(O)c(CN2CCN3C(=O)NC[C@@H]3C2)cc1Cl	824920346	KUAKTZGJCGRWQP-LLVKDONJSA-N	295.770	1.563	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)C[C@@H]2CCCN2)c1	828667135	MWQVZAVVJYAZHJ-MNOVXSKESA-N	278.352	1.720	10	20	CDCD	
Cc1cc(O)c(CN[C@]2(CO)CCOC2)cc1Cl	825509597	NYSZAJSAJFAYSS-ZDUSSCGKSA-N	271.744	1.595	10	20	CDCD	
CN(Cc1cn(C)nn1)Cc1c(O)ccc(Cl)c1F	827304918	JOJGAYCTAJNNDD-UHFFFAOYSA-N	284.722	1.945	10	20	CDCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1cnn[nH]1	839915630	ISEICRDWAMTVPQ-LLVKDONJSA-N	287.367	1.540	10	20	CDCD	
CCCN(C)CC(=O)N(C)Cc1ccccc1O	730278322	PKSAVFMOPTXQOZ-UHFFFAOYSA-N	250.342	1.692	10	20	CDCD	
O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1cc(O)cs1	731878855	OHORBSRHMORCDO-MWLCHTKSSA-N	282.365	1.047	10	20	CDCD	
Nc1ccc(CCNC(=O)NC[C@H]2CCCC[C@@H]2O)cc1	841953640	BDBPJOOFHCDXDN-HIFRSBDPSA-N	291.395	1.662	10	20	CDCD	
C[C@@]1(CNC(=O)C(=O)Nc2ccc(N)cc2)CCCS1	841068905	KANYEPVDEQLUDR-AWEZNQCLSA-N	293.392	1.609	10	20	CDCD	
CCN(CC)c1ccc(CN2CC[C@H](O)[C@H](CO)C2)cc1	840975452	NVQYXOJZFMZIDH-RDJZCZTQSA-N	292.423	1.708	10	20	CDCD	
CS[C@H](C)CNC(=O)NCCc1ccc(N)cc1	841862941	CRZFBYOOKXOVON-SNVBAGLBSA-N	267.398	1.862	10	20	CDCD	
COc1cccc([C@H](C)NC[C@@]2(O)CCO[C@@H]2C)c1O	846166619	BCLFWEPJFYLYQZ-RWSFTLGLSA-N	281.352	1.591	10	20	CDCD	
CNC[C@H]1CCCN1C(=O)NCCc1ccc(N)cc1	841955503	FGBLNSCHKYZUJE-CQSZACIVSA-N	276.384	1.205	10	20	CDCD	
CC(C)[C@@](C)(NC(=O)c1cc(O)cs1)C(N)=O	854424068	NRTXBRVDYIPCGO-LLVKDONJSA-N	256.327	1.084	10	20	CDCD	
Cn1ncc(C2CC2)c1C(=O)NCCc1ccc(N)cc1	851632714	VPGKQIVMAMUEIA-UHFFFAOYSA-N	284.363	1.852	10	20	CDCD	
CN(C)c1ccc(CN(C[C@H](O)CO)C2CC2)cc1	929296815	SCPWGBIDDJOQHQ-HNNXBMFYSA-N	264.369	1.070	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NCCc2cnccn2)c1	858345448	CJMODHFZFOFNIY-UHFFFAOYSA-N	286.335	1.533	10	20	CDCD	
O[C@H]1C[C@H](NCc2ccc(N3CCOCC3)c(F)c2)C1	850417724	JHAMVIZKLHXRGG-JOCQHMNTSA-N	280.343	1.275	10	20	CDCD	
O=C(OCC(=O)[C@H]1CCCOC1)c1cc(O)cs1	769104193	VRIISHZSUWSUQG-QMMMGPOBSA-N	270.306	1.606	10	20	CDCD	
C[C@@H](NC(=O)C(=O)NCC(F)F)c1ccc(N(C)C)cc1	768215214	AMUUOVKRAHIFOF-SECBINFHSA-N	299.321	1.311	10	20	CDCD	
CNC(=O)C[C@H](C)NC(=O)N[C@H](C)c1ccccc1O	868679279	SOJVZKXXYFSYKZ-VHSXEESVSA-N	279.340	1.277	10	20	CDCD	
CCO[C@H](C(=O)NCCc1ccc(O)c(O)c1)C1CC1	860234450	GCRYNGQHHIVOMI-AWEZNQCLSA-N	279.336	1.572	10	20	CDCD	
CO[C@]1(CNC(=O)N(C)Cc2ccccc2O)CCOC1	764803374	GWNXCSVGRHRXMC-HNNXBMFYSA-N	294.351	1.339	10	20	CDCD	
CO[C@@]1(CNC(=O)N(C)Cc2ccccc2O)CCOC1	764803377	GWNXCSVGRHRXMC-OAHLLOKOSA-N	294.351	1.339	10	20	CDCD	
N[C@]1(C(=O)NCc2c(O)ccc3c2CCCC3)CC1(F)F	870894142	JVVUWRVNYDUKFZ-AWEZNQCLSA-N	296.317	1.624	10	20	CDCD	
CCN(C)c1ccc(CN2CCNC(=O)[C@H]2C)cc1	773750389	YRARLOIERITTQP-GFCCVEGCSA-N	261.369	1.463	10	20	CDCD	
CN1CCCc2cc(CNC(=O)CN3CCCC3)ccc21	874250868	ADBVJWGIAOBJBL-UHFFFAOYSA-N	287.407	1.781	10	20	CDCD	
CCCOc1ccc(CNCC[C@H](O)C(=O)O)cc1C	1119549259	DBQIPMHNHZBKCY-ZDUSSCGKSA-N	281.352	1.709	10	20	CDCD	
COc1ncc(/C=C/C(=O)NCc2ccccc2O)cn1	775880601	QXCVWTNRHGRJMS-VOTSOKGWSA-N	285.303	1.520	10	20	CDCD	
CN(C)c1ccc(Cn2cc(C[C@H](O)C3CC3)nn2)cc1	881272130	NLJMCARUXPXHQA-INIZCTEOSA-N	286.379	1.706	10	20	CDCD	
COc1ccc(/C=C2\SC(=S)N(C)C2=O)cn1	780144146	ULTQOQNCVNUQPX-YVMONPNESA-N	266.347	1.921	10	20	CDCD	
Nc1ccc(CNC(=O)NCCC[C@@H]2CCCN2)cc1	1120544570	BHRCULWSKWXMNB-AWEZNQCLSA-N	276.384	1.600	10	20	CDCD	
COc1cccc(CN2CC(=O)N(C)C[C@H]2C)c1O	783734591	ULEOQMIZXOWDOB-SNVBAGLBSA-N	264.325	1.063	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)CC(C)(C)CN	721145981	CJNMZFSNULDOEW-UHFFFAOYSA-N	250.342	1.726	10	20	CDCD	
CCCCC[C@H](NC(=O)c1cccc(O)c1O)C(=O)OC	790871669	AFTBTSLCWPPLMH-NSHDSACASA-N	295.335	1.950	10	20	CDCD	
COC[C@H](C)CC(=O)NCCc1ccc(O)c(O)c1	762263711	KUZAODYPDUDFHP-SNVBAGLBSA-N	267.325	1.429	10	20	CDCD	
CN1CCN(c2ccc(CNc3ccnc(N)n3)cc2)CC1	1156658007	QLYGXBVNWNVNOM-UHFFFAOYSA-N	298.394	1.423	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C1(N)CC1	88130435	FRMLCAYRGZNJFA-UHFFFAOYSA-N	261.369	1.592	10	20	CDCD	
C[C@H]1CN(Cc2cc3c(cc2O)OCO3)CCCO1	96810811	HYWFUKMJXCKDAP-JTQLQIEISA-N	265.309	1.732	10	20	CDCD	
O=C(Nc1c(Cl)ccc2nonc12)[C@@H]1CCCO1	1324858434	MJMQCFVIHIXBRC-QMMMGPOBSA-N	267.672	1.994	10	20	CDCD	
CCN(CC)C(=O)CNC(=O)NCc1cc(C)ccc1O	1332310010	WIJQUPXQYQCKDH-UHFFFAOYSA-N	293.367	1.368	10	20	CDCD	
CC(C)[C@H]1CN(C(=O)NCc2ccc(N)cc2)CCO1	1353540785	XNVOVYSGMCSWJZ-CQSZACIVSA-N	277.368	1.835	10	20	CDCD	
CC1(C(=O)O)CN(C(=O)/C=C\c2ccc(O)c(O)c2)C1	1609811556	ACROJEFAYXNCLT-HYXAFXHYSA-N	277.276	1.044	10	20	CDCD	
COc1ccc(CNCC2(O)CCOCC2)cc1C	112717245	BGKVGVCVSYZGAJ-UHFFFAOYSA-N	265.353	1.635	10	20	CDCD	
CN(Cc1ccc(N)cc1)C1CCS(=O)CC1	1578489817	NTGSJTYAQYCQEK-UHFFFAOYSA-N	252.383	1.612	10	20	CDCD	
COC(=O)c1ccc(C(=O)NCc2ccc(N)cc2)[nH]1	1578865364	GKLKPVYVQAKLEZ-UHFFFAOYSA-N	273.292	1.314	10	20	CDCD	
C[C@@H](O)[C@H](N)C(=O)NCc1cc(Cl)cc(Cl)c1O	1579419600	BTFXDRTVRCVLRD-ANLVUFKYSA-N	293.150	1.023	10	20	CDCD	
C[C@]1(C(=O)O)CCN(C(=O)c2c(F)ccc(O)c2O)C1	1593792504	GIKGKBICBFXJMZ-ZDUSSCGKSA-N	283.255	1.174	10	20	CDCD	
CC[C@@H](N[C@@H]1CCOC1)c1cccc(-c2nn[nH]n2)c1O	1590467689	SPZNRLRTMHBKIJ-BXKDBHETSA-N	289.339	1.402	10	20	CDCD	
CCN1CCc2cc(CNC[C@H](CC(=O)O)OC)ccc21	1776877335	PEHPPHXIDWKETP-AWEZNQCLSA-N	292.379	1.648	10	20	CDCD	
CO[C@@H](CNCc1cc(F)cc(F)c1O)CC(=O)O	1777147838	VVCGXABRAYJQNV-SECBINFHSA-N	275.251	1.250	10	20	CDCD	
C[C@H](N)C(=O)NCc1ccc(N2CCSCC2)cc1	165421536	LWEHSMACLSTHAQ-NSHDSACASA-N	279.409	1.203	10	20	CDCD	
C[C@H](N[C@H](C)C[S@@](C)=O)c1ccc(F)cc1O	168867335	RKXSJIJXDDJRQR-NMIRZEMHSA-N	259.346	1.949	10	20	CDCD	
CCN1C[C@@H](C(=O)N(C)Cc2ccccc2O)CC1=O	125290440	JRHFMMUYIMTGAL-LBPRGKRZSA-N	276.336	1.219	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC[C@H]2CCCNC2=O)c1	838913643	WBGZLFZJNVAYCM-GHMZBOCLSA-N	278.352	1.578	10	20	CDCD	
COCCN1CC[C@@H](NCc2ccc(C)cc2O)C1	877046011	GVTIDNZNDLBHEL-CQSZACIVSA-N	264.369	1.511	10	20	CDCD	
C[C@H](N)[C@@H](C)C(=O)N(C)Cc1ccc(N(C)C)cc1	156541134	FEOQWTPXZOAUPW-NEPJUHHUSA-N	263.385	1.694	10	20	CDCD	
CC(C)NC(=O)CN[C@H](C)c1ccc(N(C)C)cc1	37262753	CGMZOFDAWYADDB-GFCCVEGCSA-N	263.385	1.928	10	20	CDCD	
C[C@H](NCC1([S@](C)=O)CC1)c1ccccc1O	282421699	SRTNNNUDQYIAOH-BTDLBPIBSA-N	253.367	1.954	10	20	CDCD	
CS(=O)(=O)CCSc1ncc(Cl)s1	308318458	YREMRSDGNDSYAH-UHFFFAOYSA-N	257.789	1.933	10	20	CDCD	
O=C(CN[C@H]1CCc2cccc(O)c21)NCC(F)(F)F	393692339	XUOUPHJULGWKOX-VIFPVBQESA-N	288.269	1.648	10	20	CDCD	
C[C@@H]1CSC[C@@H]1NCc1cc2c(cc1O)OCO2	397964290	JJBFMYITOIOIAQ-SCZZXKLOSA-N	267.350	1.962	10	20	CDCD	
CCc1cccc(CN[C@H](CO)C[C@@H]2CCCO2)c1O	895750356	ZSXAGSFWIUGRDI-GJZGRUSLSA-N	279.380	1.974	10	20	CDCD	
C[C@H]1CN(C(=O)NCc2ccc(N(C)C)c(F)c2)CCO1	57647618	MRWUINZNFDLUAX-NSHDSACASA-N	295.358	1.822	10	20	CDCD	
CCCN(CC(N)=O)Cc1c(O)cccc1OC	814177570	HFGVMEWUEOHCEH-UHFFFAOYSA-N	252.314	1.098	10	20	CDCD	
Cc1noc(COC(=O)c2ccc(C)c(O)c2O)n1	110007938	XQWYBATYGPDIRY-UHFFFAOYSA-N	264.237	1.455	10	20	CDCD	
Cc1ccc(O)c(CNS(=O)(=O)CCCF)c1	1261796982	RULHNECPZZSAHH-UHFFFAOYSA-N	261.318	1.480	10	20	CDCD	
C[C@@H](NCc1nncn1C)c1ccc(F)cc1O	62747798	RHUVFPXVTUBZSE-MRVPVSSYSA-N	250.277	1.511	10	20	CDCD	
Cc1nc(C(=O)NCc2c(O)ccc3c2CCCC3)no1	123992243	NPLOAJPWXUNWKZ-UHFFFAOYSA-N	287.319	1.892	10	20	CDCD	
CCCCCN1CC(=O)N[C@H]1c1cc(O)c(O)c(OC)c1	182313137	XYCWNCIEWFMNQT-OAHLLOKOSA-N	294.351	1.727	10	20	CDCD	
Nc1ccc(CC(=O)N2C[C@@H]3CCC[C@@H](N)[C@H]3C2)cc1	374597800	VCMVTHBFANYMER-AEGPPILISA-N	273.380	1.397	10	20	CDCD	
C/C=C/C[C@H](CO)NCc1cccc(OC)c1O	185815337	FJIIKDDFXREEOC-AAOUONPWSA-N	251.326	1.818	10	20	CDCD	
Cc1ccc(C(=O)N(C)CCCn2ccnc2)c(O)c1O	182829851	ZYTCPXYETCWTLI-UHFFFAOYSA-N	289.335	1.765	10	20	CDCD	
Oc1c(Cl)cccc1CNC[C@@H]1COCCO1	124719674	ZKRRXIKQQHFEGV-SNVBAGLBSA-N	257.717	1.551	10	20	CDCD	
O=C(CSc1nccs1)NC1CCOCC1	71978274	LCDIKSNPXMTKHE-UHFFFAOYSA-N	258.368	1.530	10	20	CDCD	
CC(C)(C)OC(=O)NCC(=O)Nc1ccc(N)cc1	238130921	BFAIQOGCCIZPAN-UHFFFAOYSA-N	265.313	1.732	10	20	CDCD	
CC1(NCc2cc([N+](=O)[O-])ccc2O)CCOCC1	131117960	QGISWEMMYCXAMD-UHFFFAOYSA-N	266.297	1.959	10	20	CDCD	
COC(=O)[C@@H](C)N[C@H](C)c1ccc(N(C)C)cc1	42307480	YILFIIKGLBYVIV-GHMZBOCLSA-N	250.342	1.965	10	20	CDCD	
O=C(O)C[C@H]1CN(Cc2ccccc2O)CCO1	91298806	KWXBLNDNKQITMP-NSHDSACASA-N	251.282	1.068	10	20	CDCD	
COC(=O)[C@@](C)(NC(=O)Cc1ccc(N)cc1)C1CC1	237102714	NNWJSTDEXSMGLQ-HNNXBMFYSA-N	276.336	1.269	10	20	CDCD	
CCOC[C@H](O)CN[C@@H](C)c1cc(OC)ccc1O	182434561	NSOLIANCEHYOCV-WDEREUQCSA-N	269.341	1.449	10	20	CDCD	
Cc1ccc(C(=O)N2CCCN(C(C)C)CC2)c(O)c1O	272756448	KRYNQVTYSFWVHG-UHFFFAOYSA-N	292.379	1.963	10	20	CDCD	
CCC[C@](C)(O)CNC(=O)/C=C/c1ccc(O)c(O)c1	272595715	GMMRXJYXUDZYOF-ZKKXHLJNSA-N	279.336	1.778	10	20	CDCD	
CCO[C@@H]1C[C@@H](NC(=O)c2ccc(C)c(O)c2O)[C@H]1OC	275230511	FCIZAKONGVMFPA-JTNHKYCSSA-N	295.335	1.328	10	20	CDCD	
Cc1cc(N[C@@H](C)Cc2ccc(O)c(O)c2)n2ncnc2n1	273159393	ZDIBCYOHKKSHML-VIFPVBQESA-N	299.334	1.887	10	20	CDCD	
C[C@@H]1[C@@H](C)[S@@](=O)CCN1C(=O)c1cccc(O)c1O	279390604	VUSKIZBCAPQFRC-LQJGKPAFSA-N	283.349	1.079	10	20	CDCD	
CCOCC1(C(=O)NCCc2ccc(O)c(O)c2)CC1	282098102	ZEGWLGNGQPDMLI-UHFFFAOYSA-N	279.336	1.573	10	20	CDCD	
C[C@@H](c1nncn1C)N1CCOc2cc(N(C)C)ccc21	287563888	BJNQDEIFXDIMKZ-NSHDSACASA-N	287.367	1.841	10	20	CDCD	
COCCN1CCN(Cc2ccc(N(C)C)c(C)c2)CC1	293546626	QUCDUEOQZPYIND-UHFFFAOYSA-N	291.439	1.825	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CCOCC12CC2	802291538	IOKMEJAFYJCXKJ-DUXPYHPUSA-N	275.304	1.502	10	20	CDCD	
CN1CC(=O)N[C@H]1c1ccc(N2CCCCC2)cc1	298788706	OVQPMPJLKXEMRG-OAHLLOKOSA-N	259.353	1.737	10	20	CDCD	
CN(C(=O)/C=C\c1cnn(C)c1)c1ccc([N+](=O)[O-])nc1	808795511	UULLTQAPMFCNTN-UTCJRWHESA-N	287.279	1.400	10	20	CDCD	
CCOCC[C@H](O)CNCc1ccc(N2CC=CC2)cc1	819095836	ILXSFJCHGDNARU-KRWDZBQOSA-N	290.407	1.940	10	20	CDCD	
CC(C)[C@@H](N)C(=O)NCCCSc1nccs1	829527809	GOUIXCJXWKNGES-SECBINFHSA-N	273.427	1.725	10	20	CDCD	
CO[C@@H]1CN(Cc2cc(Cl)c(F)cc2O)C[C@H]1O	825024137	KLXNFJPLNICHFG-VXGBXAGGSA-N	275.707	1.376	10	20	CDCD	
CC(C)C1CN(C(=O)c2c(F)ccc(O)c2O)C1	827282658	SAAQMNSPHZBWOA-UHFFFAOYSA-N	253.273	1.965	10	20	CDCD	
COC[C@]1(CO)CCN(Cc2cc(F)ccc2O)C1	825158551	PTGWZXVEARELQW-CQSZACIVSA-N	269.316	1.362	10	20	CDCD	
COC(=O)CCC(C)(C)NC(=O)c1cc(O)cs1	827474588	FUDXUIZJSDMIBO-UHFFFAOYSA-N	271.338	1.915	10	20	CDCD	
COc1cccc(CN(C)Cc2cn(C)nn2)c1O	827305359	RPQDLWLBEZGPDI-UHFFFAOYSA-N	262.313	1.161	10	20	CDCD	
CO[C@H]1CCC[C@H]1CNC(=O)Cc1ccc(N)cc1	831517239	ADZIARCKGUJSMD-JSGCOSHPSA-N	262.353	1.743	10	20	CDCD	
Cc1ccc(C(=O)NO[C@@H](CO)C(C)C)c(O)c1O	836895798	XSJAKTMGCFRSRH-JTQLQIEISA-N	269.297	1.085	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)C2(C(=O)O)CC2)c1	836723693	JICPXMJWZACTTR-MRVPVSSYSA-N	279.292	1.443	10	20	CDCD	
COC[C@H]1CN(C(=O)Cc2ccc(N)cc2)C[C@@H](C)O1	832002117	BOUSWSOLKLYSSE-BXUZGUMPSA-N	278.352	1.074	10	20	CDCD	
Cc1nc(C(C)(C)NC(=O)Cc2ccc(N)cc2)no1	831890681	ROAMVDUQFVASRC-UHFFFAOYSA-N	274.324	1.554	10	20	CDCD	
O=C(N[C@H]1CCN(CC(F)(F)F)C1)c1cc(O)cs1	732280683	PDJYFMKODFXOCW-ZETCQYMHSA-N	294.298	1.820	10	20	CDCD	
COC(=O)CCCNC(=S)NCc1ccccc1O	748159144	SRPGMFARECKXNR-UHFFFAOYSA-N	282.365	1.310	10	20	CDCD	
COc1ccc(N(C)CCN(C)CCC(=O)N(C)C)cc1	844400302	ZTGUQAYHSPJTSA-UHFFFAOYSA-N	293.411	1.542	10	20	CDCD	
CC[C@H](C(=O)NCc1ccc(N(C)C)c(F)c1)[C@@H](C)O	842229766	NJEVLCLJWNYVKE-PWSUYJOCSA-N	282.359	1.915	10	20	CDCD	
CCN[C@H](C)CNCc1cc(OC)c(OC)cc1O	841066814	WRJKUEKWHLBXCH-SNVBAGLBSA-N	268.357	1.497	10	20	CDCD	
O=C1CNC(=O)N1Cc1ccc(N2CCCC2)cc1	917140151	HOCGORHYOPGSKY-UHFFFAOYSA-N	259.309	1.339	10	20	CDCD	
CC(C)N1CCC[C@@H]1C(=O)NCCc1ccc(N)cc1	911783236	ROBJQKMFHZQQAO-OAHLLOKOSA-N	275.396	1.800	10	20	CDCD	
C[C@H]1C[C@H](NC(=O)c2cc(O)cs2)CCN1C	743638980	TXDKJZPSVDYLRB-DTWKUNHWSA-N	254.355	1.666	10	20	CDCD	
COCC[C@@H](CO)N[C@H](C)c1cccc(OC)c1O	846167944	PHLVZUCJTMLWSQ-MNOVXSKESA-N	269.341	1.449	10	20	CDCD	
COc1cccc([C@@H](C)N[C@@H](C)C(=O)NC(C)C)c1O	846172958	OEELWYGQZODDGT-MNOVXSKESA-N	280.368	1.965	10	20	CDCD	
Oc1c(Br)cccc1CN1CCCNCC1	843047619	QUPBQZXTKDSVBB-UHFFFAOYSA-N	285.185	1.950	10	20	CDCD	
CC[C@H](N)CNC(=O)NCc1c(O)ccc2c1CCCC2	842007027	OHNFEZNVKTTYSP-LBPRGKRZSA-N	291.395	1.808	10	20	CDCD	
C[C@@H](NCc1ccc2c(c1)CCO2)c1cnn(C)n1	924899457	GDAUIUYKHYUUJX-SNVBAGLBSA-N	258.325	1.601	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NCc2cc(C)ncn2)c1	858322327	TVPUNVNRWDHECX-UHFFFAOYSA-N	286.335	1.798	10	20	CDCD	
O=C(NCCCO[C@@H]1CCOC1)c1cc(O)cs1	757422842	BHVWRVKTZHBKAB-SNVBAGLBSA-N	271.338	1.379	10	20	CDCD	
COc1ccc(N2CCC(NCCC(N)=O)CC2)cc1	757887686	DVLXIRZYDTUMNF-UHFFFAOYSA-N	277.368	1.129	10	20	CDCD	
C[C@@H]1CSCCN1Cc1cc2c(cc1O)OC[C@@H]2O	768444698	BHJZTESRXPMGTH-RNCFNFMXSA-N	281.377	1.755	10	20	CDCD	
CCCN(C)CC(=O)NCc1cc(C)ccc1O	862759386	CZXDRVLRHYNKPQ-UHFFFAOYSA-N	250.342	1.659	10	20	CDCD	
O=C(Cn1cnc2ccccc21)NCc1ccc(O)c(O)c1	778923678	PGUUUYSLCRRWNT-UHFFFAOYSA-N	297.314	1.764	10	20	CDCD	
COCCCNC(=O)[C@H](C)N[C@H](C)c1ccccc1O	879648870	FKMYJCDJYIBMAG-NEPJUHHUSA-N	280.368	1.584	10	20	CDCD	
COC(=O)c1cccc(COC(=O)c2cc(O)cs2)n1	773433389	VVCNCLXFRVKGQP-UHFFFAOYSA-N	293.300	1.992	10	20	CDCD	
Cc1ccc(CNCCNc2cnccn2)c(O)c1	877085701	QVDRDKXTJPHCQG-UHFFFAOYSA-N	258.325	1.692	10	20	CDCD	
OC1CCN(c2ccc(CNCc3ccno3)cc2)CC1	877321512	MNMYLHBSMOMJNW-UHFFFAOYSA-N	287.363	1.926	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N[C@H]1CCN(C2CC2)C1	779499310	MVHQIPPQHAQEOG-DWMUBGRBSA-N	288.347	1.464	10	20	CDCD	
Oc1c(F)cc(Cl)cc1CN1CCn2ncnc2C1	770663468	FVKYNHLWVKNZIC-UHFFFAOYSA-N	282.706	1.792	10	20	CDCD	
C[C@H](NCc1cc(C(=O)O)no1)c1ccccc1O	1599901236	BLDZVMYQVBTDBG-QMMMGPOBSA-N	262.265	1.929	10	20	CDCD	
COc1ccc(CN(C)[C@H](C)CO)c(O)c1OC	894463494	HYROAYVTMBVONJ-SECBINFHSA-N	255.314	1.222	10	20	CDCD	
COc1cc(C)cc(CN2C[C@H]3CNC[C@@H]3C2)c1O	894097326	JMKWKMYDKVMKEH-CHWSQXEVSA-N	262.353	1.360	10	20	CDCD	
COc1ccc(O)c(CN2CC[C@H](C3OCCO3)C2)c1	896387561	UAGYCRNPEOIMJY-NSHDSACASA-N	279.336	1.596	10	20	CDCD	
COc1ccc(CNCC[C@@H](O)C2CC2)c(O)c1OC	898192514	GCEWMOTWNKIOQW-GFCCVEGCSA-N	281.352	1.660	10	20	CDCD	
CCOc1ccc(O)c(CN2C[C@@H](O)C[C@]2(C)CO)c1	895332234	TXVGMOIKYIEJLL-SWLSCSKDSA-N	281.352	1.109	10	20	CDCD	
C[C@@H](CCO)NCc1ccc(N2CCOCC2)cc1	96811404	FXXWMIXXJOAPTM-ZDUSSCGKSA-N	264.369	1.384	10	20	CDCD	
COc1cc(C)cc(CN[C@H](C)CO[C@H]2CCOC2)c1O	894338719	JNYJPQNWBGICMZ-OCCSQVGLSA-N	295.379	1.993	10	20	CDCD	
CC(=O)N1CCN(Cc2ccc(N3CCCC3)cc2)CC1	1204328220	RIXNKHYQWVXNSN-UHFFFAOYSA-N	287.407	1.951	10	20	CDCD	
C[C@H]1COC[C@@H]1NCc1ccc(N2CCOCC2)cc1	829425456	AHCRSMMKRMYFBR-BBRMVZONSA-N	276.380	1.648	10	20	CDCD	
COc1ccc(CN[C@H]2CCCN(C)C2=O)cc1C	704343259	SWVAXEUDWZGQTQ-ZDUSSCGKSA-N	262.353	1.714	10	20	CDCD	
CCN(C)c1ccc(CN(C)CCNS(C)(=O)=O)cc1	1321007371	FSZHOMVLIGHVKA-UHFFFAOYSA-N	299.440	1.124	10	20	CDCD	
Nc1ccc(CN2CCC(N3CCCNC3=O)CC2)cc1	1336286559	SHEYJAAWBQLHAC-UHFFFAOYSA-N	288.395	1.649	10	20	CDCD	
O=C(Cn1cccn1)Nc1c(Cl)ccc2nonc12	1256176864	ZJXHBSLEEZMDFE-UHFFFAOYSA-N	277.671	1.711	10	20	CDCD	
C[C@@H](O)CCCNC(=O)NCc1ccc(N)cc1	1336290390	MPTGZWKYDNWKHH-SNVBAGLBSA-N	251.330	1.229	10	20	CDCD	
COc1ccc(CNC(=O)CC(C)(C)CN)c(O)c1	1357599845	HQWGHMCYNAHUQR-UHFFFAOYSA-N	266.341	1.392	10	20	CDCD	
COc1ccc(CN2CC[C@](F)(C(=O)O)C2)c(O)c1OC	1607253695	ZCSWYWBSNOPOEX-CQSZACIVSA-N	299.298	1.408	10	20	CDCD	
C[C@H](NCc1c(C(=O)O)cnn1C)c1ccccc1O	1594241080	WWDSDGFEQVXSBH-VIFPVBQESA-N	275.308	1.675	10	20	CDCD	
O=C(O)[C@@H]1CC[C@H]1C(=O)NCc1cc(Cl)ccc1O	1595181225	DSHQCTOQOHOGNV-NXEZZACHSA-N	283.711	1.773	10	20	CDCD	
O=C(O)C[C@H]1CCCCN1C(=O)c1cc(O)cs1	1594984557	KOSRZGWPZCFCON-MRVPVSSYSA-N	269.322	1.923	10	20	CDCD	
Nc1ccc(CCNC(=O)CCOCC(F)F)cc1	232323510	DBKISNOWLWKQHB-UHFFFAOYSA-N	272.295	1.599	10	20	CDCD	
Cc1noc(C)c1CNC(=O)c1cccc(O)c1O	126473254	GBNBCXAJRKJWFY-UHFFFAOYSA-N	262.265	1.633	10	20	CDCD	
Cc1ccc(O)c(CN(C)C[C@@H]2COCCO2)c1	827140598	LYVZLGBKCCMOIS-CYBMUJFWSA-N	251.326	1.548	10	20	CDCD	
CC(=O)c1cc(Cl)cc(CN(C)CCC(N)=O)c1O	286278831	CHFAOAYHUHMIAX-UHFFFAOYSA-N	284.743	1.555	10	20	CDCD	
Cc1ccc(O)c([C@@H](C)NCCN2CCCC2=O)c1	405351472	COKXXQRKCKKOSC-GFCCVEGCSA-N	262.353	1.974	10	20	CDCD	
C[C@H](NCc1cc2c(cc1O)OCO2)C(C)(C)O	393965464	NVYXWTNOASTXIJ-QMMMGPOBSA-N	253.298	1.370	10	20	CDCD	
COC(=O)[C@H]1CC[C@H]1C(=O)NCc1ccccc1O	286812909	RYRAMOVLGDAHSQ-MNOVXSKESA-N	263.293	1.208	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CCOC2)c1	178765609	DFMFFPQGHJGVNE-UWVGGRQHSA-N	280.324	1.550	10	20	CDCD	
CNC(=O)CCN1CCCN(c2ccc(OC)cc2)CC1	53774476	BRMHQEILPFIWCK-UHFFFAOYSA-N	291.395	1.343	10	20	CDCD	
Cc1ccc(C)n1-c1ccsc1C(=O)NCCC(N)=O	175445620	FCCHCCVWRJHQGF-UHFFFAOYSA-N	291.376	1.761	10	20	CDCD	
C[C@@H](NC[C@H]1COCCO1)c1ccc(F)cc1O	62747890	MOMOFTPITGHGBL-KOLCDFICSA-N	255.289	1.597	10	20	CDCD	
Cc1ccc(C(=O)N(C)Cc2cnn(C)c2)c(O)c1O	177667180	GJFAXTAWDUXHFY-UHFFFAOYSA-N	275.308	1.412	10	20	CDCD	
CCO[C@H]1C[C@H]1C(=O)NCc1cc(OC)ccc1O	172042441	QMJLFQIPRCHEHI-YPMHNXCESA-N	265.309	1.442	10	20	CDCD	
COCC[C@]1(NC(=O)NCc2ccc(N)cc2)CCOC1	1262603718	SONPNPSZIMXJRI-HNNXBMFYSA-N	293.367	1.264	10	20	CDCD	
COc1ccc(N(C)Cc2nc(N)nc(N)n2)cc1Cl	121846292	DKTVFQVJDHPLDT-UHFFFAOYSA-N	294.746	1.334	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@@H]1CSCN1	37823723	DHZOPZZHGJVQTD-JTQLQIEISA-N	252.339	1.013	10	20	CDCD	
Cc1ccc(C(=O)NCC2CCN(C)CC2)c(O)c1O	182283397	KULBQIMXNDIAOC-UHFFFAOYSA-N	278.352	1.478	10	20	CDCD	
Cc1nnc(C(=O)NCc2ccc(N(C)C)c(F)c2)s1	185400772	MKZYTSKYQCDRFC-UHFFFAOYSA-N	294.355	1.982	10	20	CDCD	
CCN(Cc1cc(OC)ccc1O)[C@@H]1CCNC1=O	281640279	APHKDLLEVCBUCI-GFCCVEGCSA-N	264.325	1.111	10	20	CDCD	
COc1cccc(CNC[C@H]2CCCN2C)c1O	227440219	YBRZBYILDSSLGP-GFCCVEGCSA-N	250.342	1.585	10	20	CDCD	
C[C@@H](CCN(C)C)NCc1ccc(N2CCOCC2)cc1	49553589	FRZUBDMMLGTVAD-HNNXBMFYSA-N	291.439	1.953	10	20	CDCD	
CC(C)CNC(=O)CN[C@H](C)c1ccc(F)cc1O	228693897	KISXTLNMVWINJZ-SNVBAGLBSA-N	268.332	1.954	10	20	CDCD	
CC(C)N(Cc1ccc(N(C)C)cc1)S(C)(=O)=O	145426466	IRYGCCBHMATSHU-UHFFFAOYSA-N	270.398	1.923	10	20	CDCD	
CCCOc1ccc([C@H]2NC(=O)[C@H]3COCCN23)c(O)c1	93884779	RLGNEYMROWSZJY-OCCSQVGLSA-N	292.335	1.010	10	20	CDCD	
CCC(O)(CC)CNCc1cc([N+](=O)[O-])ccc1O	236856815	YTLLMAKXYKUCDI-UHFFFAOYSA-N	268.313	1.941	10	20	CDCD	
COCCOCCN[C@H](C)c1cc(C(=O)OC)ccc1O	273398444	MOYZPAWONFRXJF-LLVKDONJSA-N	297.351	1.492	10	20	CDCD	
COC(=O)CN(C)Cc1ccc(N(C)C)c(F)c1	271073833	NCOOKBXWKLPDHB-UHFFFAOYSA-N	254.305	1.497	10	20	CDCD	
COCC[C@](C)(O)CN[C@H](C)c1cc([N+](=O)[O-])ccc1O	273562163	IHVCMFXPFBEUHW-YGRLFVJLSA-N	298.339	1.739	10	20	CDCD	
CN(C)C[C@@H]1CCN(C(=O)c2c(F)ccc(O)c2O)C1	276548157	JYOZZPODKLHDNB-VIFPVBQESA-N	282.315	1.261	10	20	CDCD	
COc1ccc(N2CCN(C(=O)[C@H](C)CN)CC2)cc1F	286107815	NYDIMKZJZMLNEM-LLVKDONJSA-N	295.358	1.078	10	20	CDCD	
COc1ccc(N(C)CCN2CCNC2=O)cc1Cl	290140125	CBMLFOMGUQFAEN-UHFFFAOYSA-N	283.759	1.810	10	20	CDCD	
CCN(CCCN(C)C)C(=O)c1c(F)ccc(O)c1O	296669876	GQVMTIOBDUQRLG-UHFFFAOYSA-N	284.331	1.651	10	20	CDCD	
C[C@H](NC[C@H](N)c1ccc(N(C)C)cc1)[C@H]1CCOC1	817939567	COVDUSDHLBEFNM-NOLJZWGESA-N	277.412	1.767	10	20	CDCD	
CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@H](C)OC	819696358	QQEWABYXZSDWQI-NSHDSACASA-N	295.335	1.319	10	20	CDCD	
Cn1ccc(CCC(=O)NCc2ccccc2O)n1	815833472	OVHTYPPCMZQYHP-UHFFFAOYSA-N	259.309	1.375	10	20	CDCD	
C[C@@H]1C[C@@H](NC[C@@H]2CNCCO2)c2c(O)ccc(F)c21	817984168	VQYLDTYLKMEVSN-JFGNBEQYSA-N	280.343	1.658	10	20	CDCD	
CC(=O)N[C@H](C(=O)NCc1ccc(O)c(O)c1)C(C)(C)C	827316483	CZXTUXPKOXKGIF-CYBMUJFWSA-N	294.351	1.265	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)[C@@H]2C[C@H]2C(=O)O)cc1	737089356	SXUHDCFZSSDVRO-ZIAGYGMSSA-N	290.363	1.870	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)NC[C@@H]2CCN2C)c1	903318009	OGCQQGQMICWKMR-JQWIXIFHSA-N	278.352	1.534	10	20	CDCD	
CN1CCC(CNC(=O)c2cc(O)cs2)CC1	732283454	JCMCBTQCZMKGST-UHFFFAOYSA-N	254.355	1.525	10	20	CDCD	
O=C(NCCNC(=O)c1cc(O)cs1)c1ccco1	731868391	XCVWSFYOTUTEBD-UHFFFAOYSA-N	280.305	1.207	10	20	CDCD	
CCC[C@@](C)(NC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)O	833648326	RNAVSPWUISNSJG-ZQMJAJRESA-N	293.319	1.871	10	20	CDCD	
COc1ccc(CNC(=O)C2CCNCC2)c(O)c1	832177847	HYZONBITDAOICQ-UHFFFAOYSA-N	264.325	1.017	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(C)(C)C(=O)O	844253595	CRTBNXUVSDVFFX-UHFFFAOYSA-N	278.352	1.788	10	20	CDCD	
COc1ccc(N(C)CCN(C)C(=O)C2CC(=O)C2)cc1	846442113	JPVZPUUCNHDDTH-UHFFFAOYSA-N	290.363	1.569	10	20	CDCD	
O=C(NCc1ccc(N2CCCC2)cc1)N[C@H]1C[C@H](O)C1	853411908	PNUFZWXSXODBGM-CTYIDZIISA-N	289.379	1.609	10	20	CDCD	
COc1cccc(O)c1CN1C[C@H]2CCC[C@]2(N)C1	857226526	QNMLAYQGMUXPGL-ABAIWWIYSA-N	262.353	1.714	10	20	CDCD	
CC(C)NCC(=O)NCc1ccc(N(C)C)c(F)c1	851627037	GDRNWVKWCJCYNI-UHFFFAOYSA-N	267.348	1.506	10	20	CDCD	
C[C@H](N[C@@H]1CCOC[C@H]1O)c1cc(F)cc(F)c1O	858552552	HAKDCYAEKIEAHL-UPZJHPNMSA-N	273.279	1.471	10	20	CDCD	
O=C(N[C@H]1Cc2cccc(O)c2C1)c1cccc(O)c1O	760609184	JJSOYUZVVTYFHH-JTQLQIEISA-N	285.299	1.701	10	20	CDCD	
CCO[C@@H]1C[C@@H](NCc2c(O)cccc2OC)[C@H]1OC	775978931	PIBDSDALZOELRA-KCPJHIHWSA-N	281.352	1.683	10	20	CDCD	
COc1cccc(CNC(=O)N[C@@H]2C[C@@H](C)O[C@@H]2C)c1O	875988396	GTLRVTQWZJCZBU-CKYFFXLPSA-N	294.351	1.766	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CNC(C)(C)C	1116669871	MFTHRXSAZVTPIR-SNVBAGLBSA-N	280.368	1.533	10	20	CDCD	
CC[C@H](CO)C(=O)NCc1cccc(OC)c1O	779812385	LCPMRFQXAMEHDL-SECBINFHSA-N	253.298	1.036	10	20	CDCD	
COc1cc(O)c(CN2CC(=O)N(C)C[C@H]2C)cc1OC	783732231	CPAFKTQEYXIWNM-SNVBAGLBSA-N	294.351	1.072	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCOC[C@@H]1c1ncon1	782122820	DNMZFCIYAMTZFX-MRVPVSSYSA-N	281.293	1.050	10	20	CDCD	
CCOc1ccc(O)c(CN2C[C@@H]3C[C@@]3(CO)C2)c1	783737023	XYYVJVAPGLEEFH-WFASDCNBSA-N	263.337	1.605	10	20	CDCD	
Cc1ccc(C(=O)NCC[C@@H](O)C2CC2)c(O)c1O	890723119	TVKVEHTVUQYMIR-LLVKDONJSA-N	265.309	1.297	10	20	CDCD	
COc1ccc(CNCCNC(=O)C(C)C)c(O)c1OC	892442178	XTVJOUXHXLGEBC-UHFFFAOYSA-N	296.367	1.271	10	20	CDCD	
CC[C@H](CO)C(=O)NCc1ccc(OC)cc1O	794390037	FFUPPYHAKNWDBE-SECBINFHSA-N	253.298	1.036	10	20	CDCD	
C[C@H]1C(=O)NCCN1Cc1ccc(N2CCCC2)cc1	1204326337	FZWDHHDAKVARED-ZDUSSCGKSA-N	273.380	1.607	10	20	CDCD	
COc1ccc(O)c(CNS(=O)(=O)c2ccoc2)c1	795852432	LPUAZJLFCZKACI-UHFFFAOYSA-N	283.305	1.472	10	20	CDCD	
CN[C@@H](C)CCNCc1ccc([N+](=O)[O-])c(OC)c1O	1328677716	SXLWQFXFOLPNFM-VIFPVBQESA-N	283.328	1.397	10	20	CDCD	
NCCCCNCc1ccc(N2CCOCC2)c(F)c1	1325317666	BUWDCNWYHXMGOP-UHFFFAOYSA-N	281.375	1.491	10	20	CDCD	
COc1ccc(CN[C@H](C)c2nncn2C)c(O)c1OC	1334170135	YQNYYFNDDULXTL-SECBINFHSA-N	292.339	1.389	10	20	CDCD	
Cc1nnc(CN[C@H](C)c2c(O)cccc2F)n1C	1333467852	SYQTWEGPOXPDGQ-MRVPVSSYSA-N	264.304	1.819	10	20	CDCD	
O=C(NCc1ccc(N2CCOCC2)cc1)[C@@H]1C[C@@H]1F	1519019626	IYFPYZRNZGNPCN-KGLIPLIRSA-N	278.327	1.497	10	20	CDCD	
O=C(O)[C@H](CF)NCc1ccc(Br)cc1O	1601649284	IOKYQIMRPWSVAO-QMMMGPOBSA-N	292.104	1.667	10	20	CDCD	
C[C@@H]1C[C@H](C(=O)NCc2c(O)cccc2F)O[C@H]1C(=O)O	1607442795	RFIIXKIGWDKJHL-NZXMKCKXSA-N	297.282	1.026	10	20	CDCD	
CC(=O)N1CCC(NCc2cc(F)ccc2O)CC1	226582939	HAORIXXOJRHXID-UHFFFAOYSA-N	266.316	1.632	10	20	CDCD	
C[C@H](NCc1ccc(N2CCC(O)CC2)cc1)C(=O)O	1599901830	WLFLPVSPFAOAHB-NSHDSACASA-N	278.352	1.210	10	20	CDCD	
C[C@@H](O)CCN(CC(=O)O)Cc1cc(Cl)ccc1O	1593446667	MOQPDOLOHBDLDZ-SECBINFHSA-N	287.743	1.703	10	20	CDCD	
COc1cccc(O)c1CNC[C@H]1CCCS(=O)(=O)C1	808426565	FMGANBWSVKNPBC-LLVKDONJSA-N	299.392	1.315	10	20	CDCD	
CC[C@@H](NCc1ccc2c(c1)CCCO2)C(=O)NC	922170798	MLYFVEDFMSNKIZ-CYBMUJFWSA-N	262.353	1.626	10	20	CDCD	
COCC1(CC(=O)NCCc2ccc(O)c(O)c2)CC1	843831396	GCFLGFWTFZRDLU-UHFFFAOYSA-N	279.336	1.573	10	20	CDCD	
COc1ccc(O)c([C@H](C)NCc2nc(C)no2)c1	38034469	JBTCSWVNLNMOGT-QMMMGPOBSA-N	263.297	1.943	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@H](N)CC2CC2)cc1	311763889	BBBYPTKXFFDNQT-AWEZNQCLSA-N	261.369	1.496	10	20	CDCD	
O=C(NCc1ccccc1O)c1cn2ccccc2n1	701117752	GIRSYXWENJFOQM-UHFFFAOYSA-N	267.288	1.970	10	20	CDCD	
C[C@H](NC[C@]1(O)CCN(C)C1)c1cc(F)ccc1O	702652930	NRBAWTWARJNHQE-IINYFYTJSA-N	268.332	1.249	10	20	CDCD	
c1cc2c(cc1CNCC1CC3(C1)OCCO3)CCO2	922800477	YDXHERBSSSHHJI-UHFFFAOYSA-N	275.348	1.864	10	20	CDCD	
CSCC[C@H](N)C(=O)NCc1ccc(N(C)C)cc1	40825948	YELVXHLEWOKXMV-ZDUSSCGKSA-N	281.425	1.449	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)C[C@H]1CCCN1	178863414	HHBYCNIWMTULBB-GFCCVEGCSA-N	289.379	1.620	10	20	CDCD	
COc1cccc(CNC[C@](C)(O)CSC)c1O	120633901	JUMGRYBATWGEBL-ZDUSSCGKSA-N	271.382	1.604	10	20	CDCD	
COc1ccccc1NC[C@@H](O)CN1CCCC1	37874579	CXCVHDKMSBUGPX-GFCCVEGCSA-N	250.342	1.564	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NC2(CO)CCC2)cc1F	185800616	NWEQPXONRGUNDG-UHFFFAOYSA-N	295.358	1.606	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)N[C@H](C)CO)cc1	79986594	DUVUMZITZDCNDU-GFCCVEGCSA-N	279.384	1.713	10	20	CDCD	
CN(C)C(=O)CCNCc1ccc(N2CCOCC2)cc1	37751726	GASYOHUBYYMQJE-UHFFFAOYSA-N	291.395	1.091	10	20	CDCD	
COc1ccc(O)c([C@H](C)NCCS(C)(=O)=O)c1	37740488	POXKQYJCRRIGHY-VIFPVBQESA-N	273.354	1.096	10	20	CDCD	
C[C@H](CS(C)(=O)=O)C(=O)N(C)Cc1ccccc1O	80066313	MFBHKNOUIVUHIT-SNVBAGLBSA-N	285.365	1.031	10	20	CDCD	
O=C(/C=C/c1cncc(F)c1)NCc1ccc(O)c(O)c1	130166522	ASMZITXJPYCVAA-DUXPYHPUSA-N	288.278	1.962	10	20	CDCD	
C[C@H](OC[C@@H]1CCCO1)C(=O)NCCc1ccc(N)cc1	237580035	UTGVHFZGMDHODW-WFASDCNBSA-N	292.379	1.512	10	20	CDCD	
C[C@@H](NCCCN1CCC[C@H]1C(N)=O)c1ccccc1O	272872624	OYQFVJOKDYIGBA-OCCSQVGLSA-N	291.395	1.383	10	20	CDCD	
C[C@H]1C[C@@H](C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)CCO1	274898876	FTRUWMGCHWXYFI-MDZLAQPJSA-N	293.363	1.960	10	20	CDCD	
COC(=O)N1CC(N[C@H](C)c2ccc(F)c(F)c2O)C1	276863290	CWAXOFAJXUUKND-SSDOTTSWSA-N	286.278	1.772	10	20	CDCD	
COCCN(CCN(C)C)Cc1cccc(OC)c1O	289448605	MVSXGFNFIUJVAU-UHFFFAOYSA-N	282.384	1.411	10	20	CDCD	
COc1cc(O)c(CN2CC[C@@H](CC(N)=O)C2)cc1OC	377192947	MUNFHCPWVBFJBS-JTQLQIEISA-N	294.351	1.107	10	20	CDCD	
CC[C@@H](CNS(C)(=O)=O)NCc1ccc(N(C)C)cc1	294953648	DHKHFENEQVUXRT-ZDUSSCGKSA-N	299.440	1.170	10	20	CDCD	
O=S(=O)(CC[C@@H]1CCOC1)NCc1ccccc1O	293379560	GEGISNGSVRNLFA-NSHDSACASA-N	285.365	1.238	10	20	CDCD	
O=C(N[C@H]1CCCc2cn[nH]c21)c1c(F)ccc(O)c1O	294894740	JBWLFLKRNIZGBW-VIFPVBQESA-N	291.282	1.767	10	20	CDCD	
CN1CC=C(CNC(=O)c2c(F)ccc(O)c2O)CC1	295116235	WBKFJUPVXIBIQI-UHFFFAOYSA-N	280.299	1.229	10	20	CDCD	
Cc1ccc(C(=O)N2CCC[C@H](CO)CC2)c(O)c1O	294695600	WZFUJHQMNRCYOF-NSHDSACASA-N	279.336	1.641	10	20	CDCD	
CC(=O)C(=O)CSc1nnc2n(C)c3ccccc3n12	808024719	ONQXYCKPTVPXAH-UHFFFAOYSA-N	288.332	1.471	10	20	CDCD	
CCN(C)c1ccc(CN(C)Cc2nncn2C)cc1	815118366	OAPZAECMQFGOPN-UHFFFAOYSA-N	273.384	1.903	10	20	CDCD	
Cc1noc([C@@H](C)NC(=O)N(C)Cc2ccccc2O)n1	726278956	KKYPDSXMAGZVIY-SECBINFHSA-N	290.323	1.986	10	20	CDCD	
CO[C@H]1COCC[C@@H]1CNCc1ccc(N(C)C)cc1	824708024	COQHCPZQYYXFBZ-ZBFHGGJFSA-N	278.396	1.894	10	20	CDCD	
Cc1ncc(NC(=O)NCc2ccccc2O)cn1	728689546	FPAXSNUTEZSNJZ-UHFFFAOYSA-N	258.281	1.812	10	20	CDCD	
CCN(CC)c1ccc(CN(C)C(=O)[C@H](C)N)cc1	826020649	VQUCHHYJDOGOBC-LBPRGKRZSA-N	263.385	1.838	10	20	CDCD	
COc1cccc(CNC(=O)c2cnn3cccnc23)c1O	729859527	UGMWCWRYIQTTOB-UHFFFAOYSA-N	298.302	1.374	10	20	CDCD	
COc1cc(N(C)CC[S@@](C)=O)cc(OC)c1OC	827884041	XBFZZXQTSSYXIL-LJQANCHMSA-N	287.381	1.527	10	20	CDCD	
CN1CCCc2cc(CNC(=O)CC3(O)CCC3)ccc21	822868356	YZSCWNCFWKSAAD-UHFFFAOYSA-N	288.391	1.990	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCc1cn[nH]c1	907274534	RHUDNDXWLSTSON-SNVBAGLBSA-N	289.335	1.501	10	20	CDCD	
O=C(NCCCCn1ccnc1)c1cc(O)cs1	732276188	WEOZGZRIEJUUDS-UHFFFAOYSA-N	265.338	1.860	10	20	CDCD	
C[C@H]1COCCN1CCN[C@H]1CCc2cccc(O)c21	834566320	JTMJIDFZIQWFNI-JSGCOSHPSA-N	276.380	1.690	10	20	CDCD	
Cc1ccc(C(=O)N(C)C[C@H](C)C(=O)O)c(O)c1O	832912745	ZMAQWKABBUOYTM-QMMMGPOBSA-N	267.281	1.199	10	20	CDCD	
CCN(C(=O)/C=C\c1cnn(C)c1)c1ccncc1	735441252	WIKBQPYRDZLVKJ-PLNGDYQASA-N	256.309	1.881	10	20	CDCD	
Cn1ncc(C(=O)NCc2ccc(O)cc2O)c1C1CC1	910953803	FOCITBVTWXNGSK-UHFFFAOYSA-N	287.319	1.639	10	20	CDCD	
CC[C@H]1NCC[C@H]1C(=O)NCc1ccc(OC)cc1O	832178101	NNVWCFWENQHBDM-CHWSQXEVSA-N	278.352	1.405	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN(C)[C@@H]2CCNC2)c1O	843049931	YWPZRYCFOREEAJ-SNVBAGLBSA-N	281.312	1.103	10	20	CDCD	
COc1cccc([C@H](C)NCCNc2cnccn2)c1O	846151215	VMGDNQFFCKDBRS-NSHDSACASA-N	288.351	1.954	10	20	CDCD	
COc1ccc(O)c(CNC(=O)C2(C(=O)O)CCC2)c1	911386465	DINGQUQOHFZOKQ-UHFFFAOYSA-N	279.292	1.272	10	20	CDCD	
CC[C@@H](C)C[C@H](CO)NC(=O)c1c(F)ccc(O)c1O	844149486	QCZGTWFFJFIRMK-RKDXNWHRSA-N	285.315	1.764	10	20	CDCD	
CC(=O)N[C@](C)(C(=O)NCCc1ccc(N)cc1)C(C)C	911782462	JNOIJQKVNCNVMY-INIZCTEOSA-N	291.395	1.478	10	20	CDCD	
Cc1nonc1CNC(=O)NCc1ccc(N(C)C)cc1	743811994	LXNQIMZTOSOLDT-UHFFFAOYSA-N	289.339	1.443	10	20	CDCD	
C[C@@H](CNC(=O)C(=O)Nc1ccc(N)cc1)C1CC1	841021280	TUETYQWJDNOFQE-VIFPVBQESA-N	261.325	1.370	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1CCCS(=O)(=O)CC1	840916761	CUNMRPXXJUWVBY-UHFFFAOYSA-N	296.436	1.682	10	20	CDCD	
COc1cc(Cl)cc(CN[C@@H](CO)CCF)c1O	846096770	BCCRYEVGTJLBJD-SNVBAGLBSA-N	277.723	1.864	10	20	CDCD	
COc1ccc(CN[C@H](CO)[C@H]2CCCOC2)cc1C	840962927	OFAIIKXXJPZSNS-LSDHHAIUSA-N	279.380	1.881	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N1CCc2nc[nH]c2C1	929081372	LZJSLNCVSXKNNZ-RQOWECAXSA-N	285.303	1.419	10	20	CDCD	
COc1cccc(O)c1CNCC[C@H]1CCNC1	841036908	QGWFZOLUCMGYGR-LLVKDONJSA-N	250.342	1.490	10	20	CDCD	
COc1ccc(CNC(=O)CNC(C)C)c(O)c1	852825631	LZMAZBVCNIAQSM-UHFFFAOYSA-N	252.314	1.015	10	20	CDCD	
COc1cccc([C@@H](C)N[C@@H](C)C(=O)N(C)OC)c1O	858580095	KHRXAUDGMDJSGW-ZJUUUORDSA-N	282.340	1.460	10	20	CDCD	
CCS(=O)(=O)CCN[C@H](C)c1cc(F)cc(F)c1O	756532510	COVLZOKVZCCSGC-MRVPVSSYSA-N	293.335	1.756	10	20	CDCD	
CC[C@@H](CO)NCc1cc(F)c(N(C)C)cc1F	858086131	BBVFYSQYXDRHNG-JTQLQIEISA-N	258.312	1.891	10	20	CDCD	
C[C@@H]1COC[C@H]1NCc1cc([N+](=O)[O-])ccc1O	922642990	KFVKISNAIOBTDL-LDYMZIIASA-N	252.270	1.425	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NCCCN(C)C)c1	858102424	AIMURJMYMCNDFJ-UHFFFAOYSA-N	265.357	1.452	10	20	CDCD	
Cc1ccc(C(=O)O[C@@H](C)C(=O)NC2CC2)c(O)c1O	750618307	DSLCVPDWSOPXEJ-QMMMGPOBSA-N	279.292	1.230	10	20	CDCD	
CNC[C@H](C)NCc1ccc(N2CCN(C)CC2)cc1	853248150	CFANRECCCCAQAM-AWEZNQCLSA-N	276.428	1.136	10	20	CDCD	
O=C(c1cc(O)cs1)N1CC[C@@H]([C@@H]2CCOC2)C1	750538392	HJTTWHCXBRADLE-NXEZZACHSA-N	267.350	1.952	10	20	CDCD	
COc1ccc2c(c1)N(C(=O)/C=C\c1cn(C)cn1)CCO2	933735010	ICUYMPYALCNAGQ-UTCJRWHESA-N	299.330	1.868	10	20	CDCD	
Cc1noc(C(=O)NCc2ccc(N(C)C)cc2)n1	865897314	ZFDQQXBLJFTZCG-UHFFFAOYSA-N	260.297	1.374	10	20	CDCD	
CN(C)c1cc(F)c(CN2CC[C@H](NC(N)=O)C2)cc1F	862252848	HVSMBXYHMZJYOF-JTQLQIEISA-N	298.337	1.273	10	20	CDCD	
C[C@H](NC(=O)NC1(C(=O)O)CC1)c1ccc(N(C)C)cc1	1119643751	QJHFCMZWQYXHLT-JTQLQIEISA-N	291.351	1.730	10	20	CDCD	
C[C@@H](NCCn1ccccc1=O)c1ccccc1O	879648884	FSGWESQJHRQHDV-GFCCVEGCSA-N	258.321	1.905	10	20	CDCD	
CNS(=O)(=O)CCCNCc1ccc(N(C)C)cc1C	877688986	KMPOTAZTHJZCBK-UHFFFAOYSA-N	299.440	1.090	10	20	CDCD	
NC(=O)c1ccccc1NCC(=O)NCc1ccccc1O	774063590	HNPMAHVMUXBSGM-UHFFFAOYSA-N	299.330	1.219	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cnc[nH]1	773741505	ZRMNACGVFDXLIG-QMMMGPOBSA-N	261.281	1.182	10	20	CDCD	
CCN(CC)C(=O)CNCc1cc(OC)c(OC)cc1O	776096559	CLPNBMUMWSGEKY-UHFFFAOYSA-N	296.367	1.367	10	20	CDCD	
Cc1cc(Cn2cc(COc3ccc(N)cc3)nn2)nn1C	881290266	XAUQJPSSALUUKI-UHFFFAOYSA-N	298.350	1.530	10	20	CDCD	
OC[C@@]12C[C@H]1CN(Cc1ccc(N3CCOCC3)cc1)C2	783744135	SUHBBJCOGWBHJM-RDJZCZTQSA-N	288.391	1.337	10	20	CDCD	
COC[C@@H](CN[C@@H](C)c1c(O)cccc1F)OC	886588774	YONMSRWVZVNHLX-VHSXEESVSA-N	257.305	1.843	10	20	CDCD	
CC(C)(O)C1CN(Cc2cc(F)cc(F)c2O)C1	894977861	YJQHCNPBQIWDCZ-UHFFFAOYSA-N	257.280	1.873	10	20	CDCD	
CC[C@H](NCc1cc(C)cc(OC)c1O)[C@H](C)O	894904460	INHPUEDAHWJXMB-JQWIXIFHSA-N	253.342	1.958	10	20	CDCD	
CCN(C)C[C@@H]1CCN(C(=O)c2cccc(O)c2O)C1	187152981	PSZFGKDUEBBWLA-NSHDSACASA-N	278.352	1.512	10	20	CDCD	
C[C@H](O)COC(=O)c1csc(Cc2ccc(N)cc2)n1	792132881	HJOYPZUPBMNVPG-VIFPVBQESA-N	292.360	1.854	10	20	CDCD	
COCC[C@H](CO)NCc1c(O)ccc(Cl)c1F	798505437	ODMSJGWCOULCBY-MRVPVSSYSA-N	277.723	1.672	10	20	CDCD	
COc1ccc(CNC(=O)c2ccnnc2C)c(O)c1	794380231	ABJNEWXHHDYTHP-UHFFFAOYSA-N	273.292	1.429	10	20	CDCD	
CCOCCOC[C@H](O)CNCc1cc(C)c(C)cc1O	791007469	WZWRFLGRACDCFK-OAHLLOKOSA-N	297.395	1.513	10	20	CDCD	
OCC(F)(F)CNCc1ccc(Br)cc1O	691469050	WOMKTARIIONBOB-UHFFFAOYSA-N	296.111	1.872	10	20	CDCD	
CCc1cc(NC(=O)c2ccc(C)c(O)c2O)n(C)n1	1320794056	ZYZPWQDOOOOUKD-UHFFFAOYSA-N	275.308	1.954	10	20	CDCD	
NCC[C@H]1CCN(C(=O)NCc2ccc(N)cc2)C1	1346738989	LJHRMFMXZMAVPM-LBPRGKRZSA-N	262.357	1.149	10	20	CDCD	
Cc1c(NCc2ccc(N(C)C)cc2)cnn1CC(=O)O	1600050993	MPLAMEAYTWLMIK-UHFFFAOYSA-N	288.351	1.954	10	20	CDCD	
C[C@H](N[C@@H]1CCCCNC1=O)c1cc(C(=O)O)ccc1O	1604329856	ULBDNYZAKUAPHM-JOYOIKCWSA-N	292.335	1.410	10	20	CDCD	
CCOc1cccc(CN2CCC[C@@H](O)[C@H]2C(=O)O)c1O	1610044684	HKOMVASQVKHBFN-YPMHNXCESA-N	295.335	1.201	10	20	CDCD	
C[C@H](CN(C)Cc1cc2c(cc1O)OCO2)C(=O)O	1589033843	GEUJCGWXLHATAV-MRVPVSSYSA-N	267.281	1.273	10	20	CDCD	
CCOc1ccc(CN2C[C@H](O)C[C@@H](C(=O)O)C2)c(O)c1	1597102080	MVLVPIBVELJFNM-VXGBXAGGSA-N	295.335	1.058	10	20	CDCD	
C[C@@H](C[S@@](C)=O)NCc1cccc(Cl)c1O	164408314	VXUWULBFUOZIKV-PWJLMRLQSA-N	261.774	1.902	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NC2(C(=O)O)CC2)cc1	1119574141	PONCTCXXOYDADR-UHFFFAOYSA-N	277.324	1.169	10	20	CDCD	
COc1ccc(O)c(CN2CCC[C@H](CCN)C2)c1	70169514	MQTSYJNDOANOQY-GFCCVEGCSA-N	264.369	1.962	10	20	CDCD	
NC[C@@H]1CN(Cc2cc(Cl)ccc2O)CCCO1	313344135	CJMLQTXLUHNSQQ-GFCCVEGCSA-N	270.760	1.595	10	20	CDCD	
O=S1(=O)CCCC[C@H]1CN[C@@H]1CCc2cccc(O)c21	694583682	GNNUJVMGKLRGTK-QWHCGFSZSA-N	295.404	1.936	10	20	CDCD	
C[C@@H](NC(=O)[C@H]1CCCS(=O)(=O)C1)c1ccccc1O	827946528	KYMUALZSCRCRQD-MNOVXSKESA-N	297.376	1.394	10	20	CDCD	
COc1cccc(CNC(=O)Cc2ccc(C)nc2)c1O	105651274	QTJDQEBQCLMUMT-UHFFFAOYSA-N	286.331	1.963	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCOC1	178767500	MBINACJSSPYTCX-CYBMUJFWSA-N	277.368	1.683	10	20	CDCD	
COc1cccc(CNC(=O)c2cccnc2OC)c1O	68489231	MFYCVWGMHMOHRN-UHFFFAOYSA-N	288.303	1.734	10	20	CDCD	
CC(=O)N[C@@H]1CCCN(C(=O)CSc2nccs2)C1	77652153	YDPJDFOLBBABRA-SNVBAGLBSA-N	299.421	1.362	10	20	CDCD	
CC[C@@H](O)CNCc1ccc(N2CCOCC2)cc1	124377130	ZTHUPWAOESRIIP-OAHLLOKOSA-N	264.369	1.384	10	20	CDCD	
C[C@@H](NCC1(C(N)=O)CCOCC1)c1cc(F)ccc1O	185003083	QERKCRLFRCPZOQ-SNVBAGLBSA-N	296.342	1.464	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2cc(OC)no2)c1	127515477	MSTZYUWYQFQMEH-MRVPVSSYSA-N	292.291	1.888	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)c1ccccc1O	182549395	GHLCXPOUEYHHAA-UHFFFAOYSA-N	259.261	1.733	10	20	CDCD	
COCCC(=O)N[C@H](C)Cc1ccc(O)c(O)c1	183487277	AYGBUIACYUQZIX-SECBINFHSA-N	253.298	1.182	10	20	CDCD	
Cc1ccc(C(=O)NCCc2ccnn2C)c(O)c1O	183783942	AOMRDUWKUDZUFN-UHFFFAOYSA-N	275.308	1.112	10	20	CDCD	
CCOc1ccc(S(=O)(=O)Nc2ccc(O)cc2)cn1	184461018	NZZOGACQMJGUKA-UHFFFAOYSA-N	294.332	1.987	10	20	CDCD	
CC(=O)N1CCC(CNC(=O)c2cccc(O)c2O)CC1	193023049	GVEHGCAYIGQMFO-UHFFFAOYSA-N	292.335	1.086	10	20	CDCD	
CSc1cc(O)ccc1NS(=O)(=O)c1cn[nH]c1	192155169	NLMAVIMVTHUEMY-UHFFFAOYSA-N	285.350	1.638	10	20	CDCD	
COC(=O)CCN1CCN(c2ccc(OC)c(F)c2)CC1	84866548	UBZNNYJDWFDFML-UHFFFAOYSA-N	296.342	1.519	10	20	CDCD	
COC[C@H](CO)N[C@H](C)c1ccc(N(C)C)cc1	234839589	LMPBDKRPRPPPJI-YPMHNXCESA-N	252.358	1.411	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNC[C@@H]2CC[C@@H](O)C2)c1O	278126464	BPAOHCPWFLGTKT-MWLCHTKSSA-N	296.323	1.560	10	20	CDCD	
C[C@H](O)[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1	272987215	MNMPPPRCLHFTGP-ZIAVJRNFSA-N	277.320	1.340	10	20	CDCD	
CCCNC(=O)CN(CCC)C(=O)c1cccc(O)c1O	274915178	VRFNSYHWCGBGLU-UHFFFAOYSA-N	294.351	1.476	10	20	CDCD	
CCN(C)C(=O)CN(C)c1ccc(OCC(=O)OC)cc1	273135450	UNCRFEVYNMKGDX-UHFFFAOYSA-N	294.351	1.153	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)CCNC)cc1	285870480	ZZKGJISGXVKSFL-UHFFFAOYSA-N	263.385	1.759	10	20	CDCD	
CN1C[C@H](NCc2ccc(N3CCCCC3)cc2)CC1=O	387315053	RGAGSWFQZMMQOW-OAHLLOKOSA-N	287.407	1.997	10	20	CDCD	
CCN(Cc1ccc([N+](=O)[O-])c(OC)c1O)[C@@H](C)CO	293569081	GXDVPWKJGWNMHW-VIFPVBQESA-N	284.312	1.512	10	20	CDCD	
COC(=O)c1cnc(S[C@H](C)C(=O)NC2CC2)s1	295151037	FHIGGOYHHUZKTP-ZCFIWIBFSA-N	286.378	1.689	10	20	CDCD	
CC(=O)C(=O)COC(=O)CCOc1cc(C)ccc1C	808489404	PBSWEIUHTBHGCT-UHFFFAOYSA-N	278.304	1.774	10	20	CDCD	
C[C@@H](CCCO)CNCc1cc([N+](=O)[O-])ccc1O	294796897	MLDQBHUNOUDXMQ-JTQLQIEISA-N	268.313	1.799	10	20	CDCD	
CC(C)OCCNC(=O)c1c(F)ccc(O)c1O	294908200	IWNWFWHOHXQBMF-UHFFFAOYSA-N	257.261	1.392	10	20	CDCD	
C[C@H](N[C@H](CN)C1CC1)c1cc([N+](=O)[O-])ccc1O	817959001	AAYPOQRHEJPFCW-QPUJVOFHSA-N	265.313	1.688	10	20	CDCD	
O=C(COC(=O)[C@H]1CCCSC1)c1ccc(O)c(O)c1	811411749	LZWNHGGBZFROHP-JTQLQIEISA-N	296.344	1.967	10	20	CDCD	
COCCCOc1ccccc1NC[C@@H](O)COC	819421278	IBNNFZPFANMQAE-GFCCVEGCSA-N	269.341	1.521	10	20	CDCD	
C[C@H](CS(C)(=O)=O)C(=O)N[C@H](C)c1ccccc1O	827937254	PXRMYTQLXYPKNS-NXEZZACHSA-N	285.365	1.250	10	20	CDCD	
COC(=O)c1cnc(SCC(=O)N2CCC2)s1	829688669	YYMJMGCPIXKFQM-UHFFFAOYSA-N	272.351	1.254	10	20	CDCD	
COC(=O)CC(=O)NCc1ccc(N(C)C)c(F)c1	824132694	GRRFRWZXJAAENE-UHFFFAOYSA-N	268.288	1.071	10	20	CDCD	
COc1ccc(CNC(=O)[C@H]2C[C@]23CCNC3)c(O)c1	832178603	TZNDFWZMJYFOSF-DOMZBBRYSA-N	276.336	1.017	10	20	CDCD	
CCOc1cccc(CN[C@H](CCN)C(F)F)c1O	841075028	UOMZNXHXBGYLQV-SNVBAGLBSA-N	274.311	1.863	10	20	CDCD	
CC[C@H](C)C[C@@H](N)C(=O)NCCc1ccc(N)cc1	911783039	OYVKMDNEEZLCQI-SMDDNHRTSA-N	263.385	1.691	10	20	CDCD	
COc1ccc(O)c(CNC(=O)NCc2ocnc2C)c1	918745232	HEVKKGVYFBHANL-UHFFFAOYSA-N	291.307	1.697	10	20	CDCD	
Nc1ccc(NC(=O)C(=O)N[C@@H]2CCCc3occc32)cc1	841017780	ZISHPOJXRHMRNU-CYBMUJFWSA-N	299.330	1.994	10	20	CDCD	
CN(C)[C@H]1CCCN(C(=O)NCCc2ccc(N)cc2)C1	841956341	CREDVZGCMYEMQJ-HNNXBMFYSA-N	290.411	1.547	10	20	CDCD	
c1cc(N2CCOCC2)ccc1CNC1CCNCC1	841026548	HYIIXZWAQGQKIA-UHFFFAOYSA-N	275.396	1.365	10	20	CDCD	
Cn1c(CNC(=O)c2cc(O)cs2)nnc1C1CC1	758562114	DKIBMROXQPOBID-UHFFFAOYSA-N	278.337	1.390	10	20	CDCD	
C[C@@H]1CCNC(=O)[C@@H]1NCc1cc(F)c(N(C)C)cc1F	858161726	DIFAQPMYQRVZAF-YMTOWFKASA-N	297.349	1.645	10	20	CDCD	
Nc1ccc(CN2CCS[C@@H]3COCC[C@H]32)cc1	1334775359	XPBDCUXKHIBXNO-ZIAGYGMSSA-N	264.394	1.975	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)CC(=O)OC	935946669	LDTXDZZGJBPADM-UHFFFAOYSA-N	272.297	1.057	10	20	CDCD	
CN(Cc1ccccc1O)c1c2c(nc3ncnn13)CCC2	865647263	UAPLHGZHMRPUSG-UHFFFAOYSA-N	295.346	1.955	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N(C)C[C@@H](C)N	861583453	VEHFBMSNULIIPC-GFCCVEGCSA-N	278.400	1.550	10	20	CDCD	
Oc1ccccc1CNC[C@@H](n1cncn1)C(F)(F)F	865682556	HPRLHAHTVZWCQL-LLVKDONJSA-N	286.257	1.877	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)Cc1ncc[nH]1	935946019	TYQDQVPDODILGM-UHFFFAOYSA-N	280.324	1.460	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)c1ccc2nncn2c1	768914608	BOTDWHJMCKNJIA-UHFFFAOYSA-N	284.275	1.071	10	20	CDCD	
CCOC(=O)[C@H](C)NCc1ccc(N(C)C)c(F)c1	763273387	XQTCOPZRNNEWKR-JTQLQIEISA-N	268.332	1.933	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2C[C@@H](N)C[C@H]2C)c1O	866684437	YVFBBWXHCXSFBF-PELKAZGASA-N	266.316	1.655	10	20	CDCD	
O[C@@H](CNc1ccccc1OCCF)CN1CCCC1	863559094	GSKNFLJEPMXECQ-ZDUSSCGKSA-N	282.359	1.904	10	20	CDCD	
COCC1(S(=O)(=O)N[C@H](C)c2ccccc2O)CC1	867834044	DDRGDGFMZQCFKZ-SNVBAGLBSA-N	285.365	1.552	10	20	CDCD	
OC/C=C\CNCc1ccc(N2CCC(O)CC2)cc1	877625441	YPYJACWZYCGJNU-UPHRSURJSA-N	276.380	1.286	10	20	CDCD	
CC[C@@H]1NC(=O)N(CCCSc2nccs2)C1=O	777648987	BGCCQRLBVDIXFU-QMMMGPOBSA-N	285.394	1.956	10	20	CDCD	
COc1cc(O)c(CN2CCC[C@H]2CCO)cc1OC	779202639	RFONORADUBCHTR-LBPRGKRZSA-N	281.352	1.756	10	20	CDCD	
CCN(CCO)CCNCc1ccc(C)cc1O	877399316	MUIDARUZADQQEA-UHFFFAOYSA-N	252.358	1.104	10	20	CDCD	
CC(=O)N[C@H](CC(C)C)C(=O)NCCc1ccc(N)cc1	876527917	MTNBEEPQKFKMIV-OAHLLOKOSA-N	291.395	1.478	10	20	CDCD	
Cc1nc[nH]c1CNC(=O)/C=C/c1ccc(O)c(O)c1	779532932	XQKFISTYDJUSOR-HWKANZROSA-N	273.292	1.459	10	20	CDCD	
C[C@H](NC[C@@H]1CCS(=O)(=O)C1)c1c(O)cccc1F	886496867	KCIXCXYQHBYXNL-UWVGGRQHSA-N	287.356	1.617	10	20	CDCD	
Cc1ccc(C(=O)N2CCc3c[nH]nc3C2)c(O)c1O	780993760	PQAWJVWXNNGKDV-UHFFFAOYSA-N	273.292	1.328	10	20	CDCD	
CCCn1cc(NC(=O)c2cccc(O)c2O)cn1	187141763	QDXYILUYVQGVHY-UHFFFAOYSA-N	261.281	1.957	10	20	CDCD	
COc1ccc(CNC(=O)NCCCSC)c(O)c1	792953066	WNLBAZKNUQADNV-UHFFFAOYSA-N	284.381	1.953	10	20	CDCD	
CC(C)[C@H](CNCc1cc([N+](=O)[O-])ccc1O)C(=O)O	1326324092	SCDQJNHRCMNWMZ-NSHDSACASA-N	282.296	1.747	10	20	CDCD	
O=C(O)[C@H](C[C@H]1CCCO1)NCc1ccc2c(c1)CCO2	1332017923	VGLVLOQAALDSTF-KGLIPLIRSA-N	291.347	1.733	10	20	CDCD	
CN1CCN(Cc2cc3c(cc2O)OCO3)CC1(C)C	211484190	ILGSPQXEABUMMJ-UHFFFAOYSA-N	278.352	1.647	10	20	CDCD	
Cc1ccc(C(=O)NC(C)(C)CC(=O)O)c(O)c1O	1600335283	DQCGFNZTVCDEOG-UHFFFAOYSA-N	267.281	1.389	10	20	CDCD	
O=C(O)c1cnc(SCC(=O)[C@H]2CCOC2)s1	1608978840	VENNAVPXHRDHTO-LURJTMIESA-N	273.335	1.539	10	20	CDCD	
O=C(O)c1cnc(S[C@H]2CCCCNC2=O)s1	1608978552	FRFHVDUXHJPITD-LURJTMIESA-N	272.351	1.602	10	20	CDCD	
CCc1cccc(CN2C[C@H](C)O[C@H](C(=O)O)C2)c1O	1605828354	BYQZGRCWTGOXQG-GWCFXTLKSA-N	279.336	1.629	10	20	CDCD	
CCc1cccc(CN(CCOC)CCC(=O)O)c1O	1605830813	RHGXUCWAKDWYAP-UHFFFAOYSA-N	281.352	1.878	10	20	CDCD	
Cc1ccc(O)c(CNc2nccnc2C(=O)O)c1	1600467484	WKUANBBPMPWJGM-UHFFFAOYSA-N	259.265	1.801	10	20	CDCD	
COc1cc(O)c(CN2CC[C@@H](C(=O)O)[C@@H]2C)cc1OC	1610304065	MORPNDLTVBTTAJ-GXSJLCMTSA-N	295.335	1.704	10	20	CDCD	
CC1(C(=O)O)CN(Cc2ccc(N3CCOCC3)cc2)C1	1593808012	KAEJSJNBOSXOMQ-UHFFFAOYSA-N	290.363	1.430	10	20	CDCD	
COc1ccc(CNc2nccnc2C(=O)O)c(O)c1	1599574178	BMAHVLWPIKWRDW-UHFFFAOYSA-N	275.264	1.501	10	20	CDCD	
COc1cccc(CNS(=O)(=O)Cc2ccon2)c1O	161104362	YJYPXGYNCNETQU-UHFFFAOYSA-N	298.320	1.008	10	20	CDCD	
CC[S@@](=O)CCNCc1ccc2c(c1)CCCO2	921720575	BGOODFJZBDTNOI-GOSISDBHSA-N	267.394	1.870	10	20	CDCD	
C[C@@H](NCC[C@H]1CCNC1=O)c1ccc(N(C)C)cc1	846860915	NIWJVNSJLJLBSA-OCCSQVGLSA-N	275.396	1.929	10	20	CDCD	
Cc1ccc(CN2CCC[C@H](NS(C)(=O)=O)C2)c(O)c1	876582151	ULHGPXRPIBFQLZ-ZDUSSCGKSA-N	298.408	1.214	10	20	CDCD	
COc1ccc(CN[C@H](C)CN2CCOCC2)cc1C	37273629	XXIYOECAFRUESR-CQSZACIVSA-N	278.396	1.814	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCCN1	37807391	MBPPNAFOKVLDPT-HNNXBMFYSA-N	275.396	1.853	10	20	CDCD	
Cc1ccc([C@H](C)NC[C@H]2CCS(=O)(=O)C2)c(O)c1	38083086	WBJCQHBRPRVNAX-NWDGAFQWSA-N	283.393	1.786	10	20	CDCD	
CN1CC[C@@H](N(C)Cc2cc(F)ccc2O)C1=O	272331316	WNIHWEGDTCCLCQ-LLVKDONJSA-N	252.289	1.194	10	20	CDCD	
O[C@@H]1COC[C@H]1NCc1ccc(N2CCCCC2)cc1	295694969	SVXOKGRUYQLTCM-HZPDHXFCSA-N	276.380	1.526	10	20	CDCD	
OC[C@H](C[C@H]1CCCO1)NCc1cc(F)ccc1O	895746853	GMUCAVSUGPEQNM-QWHCGFSZSA-N	269.316	1.551	10	20	CDCD	
CNC(=O)[C@H](C)NC(=O)c1ccc(-n2c(C)ccc2C)cc1	55958309	NEUQVQDSJJQQRB-ZDUSSCGKSA-N	299.374	1.958	10	20	CDCD	
Cn1cc2c(NCCc3ccc(O)c(O)c3)ncnc2n1	118994080	VWQBIPFXKHBXQW-UHFFFAOYSA-N	285.307	1.429	10	20	CDCD	
CN(C)c1ccc(CNC(=O)C(F)(F)C2(O)CCC2)cc1	305265672	VAAUIUBKCWYSIL-UHFFFAOYSA-N	298.333	1.919	10	20	CDCD	
C[C@]1(O)CCCN(Cc2cc3c(cc2O)OCO3)C1	129559011	RXDVZDYVTWPAFX-AWEZNQCLSA-N	265.309	1.468	10	20	CDCD	
CN1CCN(CCCSc2nccs2)CC1	181319296	FOWBTDKVZZTJEI-UHFFFAOYSA-N	257.428	1.873	10	20	CDCD	
COC[C@@H](C)CNC(=O)c1ccc(C)c(O)c1O	182236343	NLNVMIYFTKSMPA-QMMMGPOBSA-N	253.298	1.419	10	20	CDCD	
OCC1(NCc2cccc(Cl)c2O)CCOCC1	224813883	WEVFAEWBSSRHQC-UHFFFAOYSA-N	271.744	1.677	10	20	CDCD	
CO[C@@H](C)CS(=O)(=O)Nc1ccc(O)cc1F	193340137	HABOZKIUTKTBIW-ZETCQYMHSA-N	263.290	1.308	10	20	CDCD	
CC[C@H](C(=O)N(C)Cc1ccccc1O)N1CCCC1=O	266166308	QYOVCCNBXVKHEG-CYBMUJFWSA-N	290.363	1.752	10	20	CDCD	
CCOC(=O)CN(CCOC)c1ccc(OC)c(OC)c1	266867142	NNRXAHKYGCGTHG-UHFFFAOYSA-N	297.351	1.720	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H](C)Cn2cccn2)c(O)c1O	271331312	ZCCWUCPKWMTQBZ-JTQLQIEISA-N	275.308	1.421	10	20	CDCD	
C[C@H](O)C[C@H](C)CNC(=O)c1c(F)ccc(O)c1O	276612219	PPXWELIITDLLAY-YUMQZZPRSA-N	271.288	1.374	10	20	CDCD	
CCOCCOC1CN(Cc2cccc(C)c2O)C1	272415113	MEKAKTOTTTWYJW-UHFFFAOYSA-N	265.353	1.938	10	20	CDCD	
CN(C[C@@H]1CCS(=O)(=O)C1)c1ccc2c(c1)OCO2	279800571	WOZDZNUGYUEQPA-JTQLQIEISA-N	283.349	1.286	10	20	CDCD	
CC(C)[C@@H](NC(=O)c1cccc(O)c1O)c1ncon1	287061719	MDEVOKHVYGZMBI-SNVBAGLBSA-N	277.280	1.608	10	20	CDCD	
C[C@@H](NCc1cnnn1C)c1ccc(F)c(F)c1O	287517768	ZLUJTBBJRFNOHK-SSDOTTSWSA-N	268.267	1.650	10	20	CDCD	
O=C(NCc1ccccc1O)NC1CCN(C2CC2)CC1	299485285	ICBRBMIMDNHNJC-UHFFFAOYSA-N	289.379	1.818	10	20	CDCD	
OC[C@@H]1CC[C@H](CNCc2cccc(Cl)c2O)O1	293912944	LXQWWOPGUMHUAM-MNOVXSKESA-N	271.744	1.675	10	20	CDCD	
CCC(=O)N[C@@H](C)C(=O)N[C@H](C)c1cc(OC)ccc1O	728977768	COIHICPKHYRTBV-ZJUUUORDSA-N	294.351	1.493	10	20	CDCD	
Oc1ccc2ccncc2c1CN1CCn2cnnc2C1	732191397	WOWCQQYPSYIJSL-UHFFFAOYSA-N	281.319	1.548	10	20	CDCD	
COc1ccc(CNC(=O)CNCC2CC2)c(O)c1	832178583	SRRWJAPFJTWXCZ-UHFFFAOYSA-N	264.325	1.017	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCN(c2nccs2)CC1	731866724	XCCZCPVLTOVLJO-UHFFFAOYSA-N	295.389	1.873	10	20	CDCD	
CCOC(=O)[C@@H](CC)C(=O)NCc1ccccc1O	839613434	WLTTVGYQKMSWTH-NSHDSACASA-N	265.309	1.598	10	20	CDCD	
COCCCOCCC(=O)NCc1ccc(OC)cc1O	846950287	MVWJBTWIVXTADK-UHFFFAOYSA-N	297.351	1.460	10	20	CDCD	
Nc1ccc(CCNC(=O)NCCOCC2CC2)cc1	841795460	RHIOTXZBKMIALS-UHFFFAOYSA-N	277.368	1.537	10	20	CDCD	
CCN1CC(=O)N[C@@H]1c1cc(Cl)c(F)cc1O	840818043	MWMNRISXELYDAI-NSHDSACASA-N	258.680	1.635	10	20	CDCD	
C[C@H](O)CN(C)c1ccc(/C=C\C(=O)O)cc1[N+](=O)[O-]	844207195	BZJPXCDXKMVLMR-RNEXMXFGSA-N	280.280	1.510	10	20	CDCD	
Cn1ccc(CN2CCCc3cc(CN)ccc32)cc1=O	843350138	JZCMNQDGECUPDC-UHFFFAOYSA-N	283.375	1.797	10	20	CDCD	
COC(=O)c1cnc(SCc2nnc(O)s2)s1	845318489	RVSCLBBIZGYZQK-UHFFFAOYSA-N	289.363	1.779	10	20	CDCD	
Nc1ccc(CCNC(=O)N[C@@H]2CCC[C@H](N)C2)cc1	841955928	RMTPCQUSULSNKK-UONOGXRCSA-N	276.384	1.380	10	20	CDCD	
C[C@@H]1C[C@H](NC(=O)NCCc2ccc(N)cc2)CCN1C	841835986	JMTSBUUWCWVOEE-IUODEOHRSA-N	290.411	1.593	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N[C@H]2CCNC2)cc1F	841760289	JUPQZBWVQLMVHG-NSHDSACASA-N	280.347	1.053	10	20	CDCD	
COc1cc(O)c(CNCC[C@@H]2CCNC2)cc1OC	841037128	SMNMCWXORNITPL-NSHDSACASA-N	280.368	1.499	10	20	CDCD	
Cc1nn(C)c(C)c1CNC(=O)c1cc(O)cs1	743780530	OMVKGMVLXOBPJV-UHFFFAOYSA-N	265.338	1.734	10	20	CDCD	
COc1cccc(CN(C)[C@@H](C)C[S@](C)=O)c1O	131141415	LILNWZSEKXJRPI-XTZNXHDOSA-N	271.382	1.600	10	20	CDCD	
Oc1cc2c(cc1CN(C1CCNCC1)C1CC1)OCO2	843044083	SFVGEZVBEYJLTP-UHFFFAOYSA-N	290.363	1.837	10	20	CDCD	
COc1ccc(N(C)CCN(C)C(=O)[C@H]2C[C@@H](N)C2)cc1	846697558	RVRPOVBSOWILMC-BETUJISGSA-N	291.395	1.327	10	20	CDCD	
COc1cccc(O)c1CN[C@@H]1CC[C@@H](CN)C1	841085320	ZHVSJUFVFZOOCH-GHMZBOCLSA-N	250.342	1.618	10	20	CDCD	
Nc1ccc(CNC(=O)NC2CCSCC2)cc1	1336803309	YOQXDDZCRLUGRV-UHFFFAOYSA-N	265.382	1.964	10	20	CDCD	
CNC[C@@H](C)N[C@@H](C)c1cc(C(=O)OC)ccc1O	854232532	SDOLZRFNHIJQHK-ZJUUUORDSA-N	266.341	1.437	10	20	CDCD	
CCOC(=O)[C@H](C)NC(=O)c1ccc(C)c(O)c1O	751533881	DMVDFTVBKGSFOP-QMMMGPOBSA-N	267.281	1.088	10	20	CDCD	
CCOc1ccc(CN[C@@H]2CCC[C@@H]2C(=O)NC)c(O)c1	765795037	GVSRTPXKVMCVAZ-UONOGXRCSA-N	292.379	1.795	10	20	CDCD	
C[C@@H](N)CN(C)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	861620748	LHLGPXDGEWQJSU-VXGBXAGGSA-N	278.400	1.802	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)CN(C)C(=O)C2CC2)c1	862760054	KHUUZAYQXUSLCY-UHFFFAOYSA-N	276.336	1.185	10	20	CDCD	
CCC[C@H](O)C(=O)N1CCOc2cc(N(C)C)ccc21	933814246	FQDVVLYTHFGYQC-ZDUSSCGKSA-N	278.352	1.639	10	20	CDCD	
C[C@H](O)C[C@@H]1CCCN1C(=O)c1cc(O)cs1	765143270	MZQTVCLZMTWSLL-IUCAKERBSA-N	255.339	1.829	10	20	CDCD	
COc1ccc(N(CC(=O)O)CC(=O)NC2(C)CC2)cc1	1119022011	QTCYVLHCWOISFE-UHFFFAOYSA-N	292.335	1.255	10	20	CDCD	
CNC(=O)NC(=O)[C@H](C)N[C@@H](C)c1ccc(N(C)C)cc1	774482022	DJSPVQNEWMPDKU-QWRGUYRKSA-N	292.383	1.247	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)CCn1cnnn1	1119565004	ZDQIWBAJLDYBBC-UHFFFAOYSA-N	289.339	1.208	10	20	CDCD	
c1cc(N2CCOCC2)ccc1CN1C[C@H]2CNC[C@@H]2C1	770394756	LUBFOXKUZSWJLO-HZPDHXFCSA-N	287.407	1.174	10	20	CDCD	
CNC(=O)CCCCC(=O)NCc1ccccc1O	779816328	VTITYRLZJUTPIJ-UHFFFAOYSA-N	264.325	1.315	10	20	CDCD	
COC[C@H](C)NCc1cc(OC)c(OC)cc1O	775804373	ITLDIMVSCQEZGP-VIFPVBQESA-N	255.314	1.534	10	20	CDCD	
COC(=O)C(C)(C)N(C)C(=O)/C=C/c1ccc(O)c(O)c1	779515421	WLJLHYHWJCHNCF-SOFGYWHQSA-N	293.319	1.521	10	20	CDCD	
C[C@@H](NCc1cc(F)cc(F)c1O)[C@@H]1CN(C)CCO1	883051689	KMIRWPJCKWDMFM-RNCFNFMXSA-N	286.322	1.479	10	20	CDCD	
CS[C@@H](CO)[C@H](C)NCc1cc(C)ccc1O	219057042	ONVOSZUYPBTACD-GWCFXTLKSA-N	255.383	1.903	10	20	CDCD	
COc1ccc(CN2CCC[C@@H]2CO)c(O)c1OC	891567678	LGCRLGNOHQRONX-LLVKDONJSA-N	267.325	1.366	10	20	CDCD	
COc1ccc(O)c(CN[C@@H](C)c2nc(C)no2)c1	792176731	JXGSOAYOPZVPBH-QMMMGPOBSA-N	263.297	1.943	10	20	CDCD	
COCC1(C)CN(C(=O)/C=C/c2ccc(O)c(O)c2)C1	790430372	KDXYOLLWALIBEK-GQCTYLIASA-N	277.320	1.606	10	20	CDCD	
C[C@H]1C[C@H](C(=O)NCCc2ccc(O)c(O)c2)CO1	784447583	VJRCLRKCDVEGFM-ONGXEEELSA-N	265.309	1.182	10	20	CDCD	
CCOc1ccc(O)c(CNCC[C@@H](C)NC)c1	1331420137	UWSMCHAWEUQCGA-LLVKDONJSA-N	252.358	1.879	10	20	CDCD	
C[C@@H]1COC[C@H]1NC(=O)NCCc1ccc(N)cc1	1262585244	XEOWCHGWUAZOKX-ZWNOBZJWSA-N	263.341	1.145	10	20	CDCD	
CCOc1ccc(N2CCN([C@H]3CCOC3=O)CC2)cc1	1341377649	VFOKZIGYXOWGOT-HNNXBMFYSA-N	290.363	1.523	10	20	CDCD	
CN(CC(C)(C)N)c1ccc(OCC(=O)O)cc1	1606090339	LEVYBKQMPLQUMC-UHFFFAOYSA-N	252.314	1.324	10	20	CDCD	
CCOc1cccc(CN2CC[C@H](NC(C)=O)C2)c1O	228356339	VDCHGXIYMQENDN-ZDUSSCGKSA-N	278.352	1.501	10	20	CDCD	
CC[C@H](CNCc1c(C)cc(OC)cc1O)C(=O)O	1573805050	DQNCTLBGNPLYOO-SNVBAGLBSA-N	267.325	1.910	10	20	CDCD	
C[C@]1(C(=O)O)CCCN(C(=O)Cc2ccc(O)c(O)c2)C1	1593766048	FPYDIYVUVSCBCQ-HNNXBMFYSA-N	293.319	1.354	10	20	CDCD	
C[C@H]1CN(C(=O)NCc2ccc(N)cc2)C[C@]1(C)C(=O)O	1599921594	YVJUYJYPBFPENZ-BONVTDFDSA-N	291.351	1.521	10	20	CDCD	
CN1C[C@@H](CN(C)c2ccc(OCC(=O)O)cc2)OC1=O	1598566995	OQIFLXXLIIOLQN-GFCCVEGCSA-N	294.307	1.037	10	20	CDCD	
Oc1c(Br)cccc1CN[C@H]1COC[C@H]1O	134217347	GFXYTZYNMXXVSO-VHSXEESVSA-N	288.141	1.004	10	20	CDCD	
COCC(C)(C)C(=O)NCc1cccc(OC)c1O	160292641	KPJXIVRMXJKYDQ-UHFFFAOYSA-N	267.325	1.690	10	20	CDCD	
c1cc2c(cc1CN[C@@H]1[C@H]3C[C@@H]4CN[C@H]1[C@H]4C3)CCO2	925560768	XRUXKLSPRJEWGM-NHMCJKAESA-N	270.376	1.708	10	20	CDCD	
CCNC(=O)[C@@H](C)NCc1ccc(N2CCCC2)cc1	37268361	MBOXEYYBWAZYSK-CYBMUJFWSA-N	275.396	1.901	10	20	CDCD	
Oc1ccccc1CNc1nnnn1-c1ccccc1	163770321	VWCGXFLSRLQDRM-UHFFFAOYSA-N	267.292	1.980	10	20	CDCD	
CNC(=O)CCCN[C@H](C)c1cc(C)ccc1O	273609120	VEMZABRDCSVHRD-LLVKDONJSA-N	250.342	1.877	10	20	CDCD	
O=C(NCC1SCCS1)c1cccc(O)c1O	703619764	UUEBWSOTFDBGEE-UHFFFAOYSA-N	271.363	1.634	10	20	CDCD	
CN(C)c1ccc(CN[C@H](CO)C[C@H]2CCCO2)cc1	886231911	NEPJTBPZMCSOHH-GOEBONIOSA-N	278.396	1.772	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2cncc(O)c2)cc1F	111586568	RQHXFXPVUYCUIK-UHFFFAOYSA-N	289.310	1.922	10	20	CDCD	
COC[C@H]1CN(Cc2cc(C)cc(C)c2O)CCO1	178894333	IWMYNRGFRUOXME-CQSZACIVSA-N	265.353	1.856	10	20	CDCD	
O=C(NCCCSc1nccs1)[C@H]1CCOC1	114140082	KQEQNYOETUGWDX-VIFPVBQESA-N	272.395	1.778	10	20	CDCD	
CC(=O)c1cc(F)cc(CN(C)Cc2nnc[nH]2)c1O	177147745	FDOUNTMWCMLBRU-UHFFFAOYSA-N	278.287	1.484	10	20	CDCD	
CC(C)C[C@H](NC(=O)c1cccc(O)c1O)C(=O)O	60149155	DANOJWDPYNZKCX-VIFPVBQESA-N	267.281	1.327	10	20	CDCD	
CCOC(=O)C1(C(=O)NCc2ccc(N(C)C)cc2)CC1	174439865	LCLZHPZPNMPVDD-UHFFFAOYSA-N	290.363	1.712	10	20	CDCD	
Cc1nccn1CCCNC(=O)c1cccc(O)c1O	280246602	SILKXWJFUCFBHZ-UHFFFAOYSA-N	275.308	1.423	10	20	CDCD	
C[C@@H](O)[C@@H]1CCN(Cc2cc3c(cc2O)OCO3)C1	180870007	TWSIMHDGCLABGH-NXEZZACHSA-N	265.309	1.324	10	20	CDCD	
Cc1ccc(C(=O)NC[C@@H]2CCCOC2)c(O)c1O	182155157	ICBFPQWTKXMXQS-JTQLQIEISA-N	265.309	1.563	10	20	CDCD	
CCCNC(=O)CCNCc1cccc(OC)c1O	45072043	IQBRRZDPEDLUIZ-UHFFFAOYSA-N	266.341	1.407	10	20	CDCD	
C[C@]1(C(=O)O)CCN(Cc2cc(F)ccc2O)C1	235774501	ARUDGWZORWRNJI-ZDUSSCGKSA-N	253.273	1.828	10	20	CDCD	
Cc1ccc(O)c(CN(C)CC(C)(CO)CO)c1	93502838	ASZDUEKBEHYHQX-UHFFFAOYSA-N	253.342	1.123	10	20	CDCD	
COCCS(=O)(=O)Nc1ccc(O)cc1OC(C)C	277609202	IGHQAIIGDRPSSW-UHFFFAOYSA-N	289.353	1.568	10	20	CDCD	
CC(=O)c1cc(F)cc(CN[C@@H](C)c2ncn(C)n2)c1O	275664324	YKIGDRGPSYOEJG-QMMMGPOBSA-N	292.314	1.713	10	20	CDCD	
CN(CCOCCO)Cc1c(O)cccc1Cl	282684407	IMWSTTOYZILMHH-UHFFFAOYSA-N	259.733	1.486	10	20	CDCD	
COC(=O)[C@]1(C)CN(C(=O)c2cccc(O)c2O)C[C@H]1C	282032976	BCEASIFEVWRWRJ-RFAUZJTJSA-N	293.319	1.369	10	20	CDCD	
Cc1cccc(CNCCCc2cnn(C)n2)c1O	293755592	XGDGFCLYUGJADB-UHFFFAOYSA-N	260.341	1.552	10	20	CDCD	
CC(=O)C(=O)COC(=O)CCOc1cccc(C)c1	808486538	DTRAQOJSQZEEEE-UHFFFAOYSA-N	264.277	1.465	10	20	CDCD	
Cc1nc2n(n1)C[C@H](N[C@H]1CCc3cccc(O)c31)CC2	297773032	PFNUWXVWUBWUCQ-OLZOCXBDSA-N	284.363	1.884	10	20	CDCD	
COc1cccc(CNC(=O)N[C@@H]2CSC[C@H]2C)c1O	807474265	FRMOQSMYTRUVAP-MWLCHTKSSA-N	296.392	1.952	10	20	CDCD	
COC[C@]1(CN[C@@H]2CCc3cccc(O)c32)CCCN1	817975030	QBFFNHNNGLXKHD-CZUORRHYSA-N	276.380	1.738	10	20	CDCD	
CC[C@@H](CNC(=O)NCc1cc(OC)ccc1O)OC	812042748	ADSZFIULWPEXPV-NSHDSACASA-N	282.340	1.625	10	20	CDCD	
NC(=O)N[C@H]1CCN(Cc2cc(Cl)c(F)cc2O)C1	816521330	MPOQVLQCYDTMJC-QMMMGPOBSA-N	287.722	1.427	10	20	CDCD	
C[C@H](CN1CCOCC1)C(=O)N[C@H](C)c1ccccc1O	827940860	JONBRGDHIGUIFB-CHWSQXEVSA-N	292.379	1.538	10	20	CDCD	
Cc1cc(O)c(CNC[C@H]2COCCO2)cc1Cl	825126692	RZRLFEWYBCIZJB-NSHDSACASA-N	271.744	1.859	10	20	CDCD	
CN1CC[C@H](C(=O)N(C)Cc2ccc(N(C)C)cc2)C1	729282137	LBFPDDNHYRVADY-AWEZNQCLSA-N	275.396	1.663	10	20	CDCD	
Cc1ccc(C(=O)OCc2cnn(C)c2)c(O)c1O	727005152	IFMPSVYCJBYYEU-UHFFFAOYSA-N	262.265	1.497	10	20	CDCD	
C[C@H](C(=O)N[C@H](C)c1ccccc1O)[C@H]1CCC(=O)N1	827952064	FECQZHGNNDUXRX-HOSYDEDBSA-N	276.336	1.484	10	20	CDCD	
C[C@@H]1CCN(C(=O)c2cccc(O)c2O)C[C@@H]1CO	700389427	IIBALSNIFXMZHQ-NXEZZACHSA-N	265.309	1.188	10	20	CDCD	
O=C(NCc1ncc2c(n1)CCC2)c1cc(O)cs1	909676795	GFFKMCGZGLXZAW-UHFFFAOYSA-N	275.333	1.662	10	20	CDCD	
COc1cccc(CN2CCC([C@H](O)C(=O)O)CC2)c1O	833735577	PECYAVIENSTTDM-AWEZNQCLSA-N	295.335	1.058	10	20	CDCD	
C[C@H]1[C@@H](C)N(C(=O)c2cc(O)cs2)CCS1(=O)=O	736710372	OUELCSHLJOURLV-SFYZADRCSA-N	289.378	1.101	10	20	CDCD	
CCc1noc(NC(=O)NCc2ccccc2O)n1	836672666	SHUPOENGOLABJG-UHFFFAOYSA-N	262.269	1.659	10	20	CDCD	
CC[C@@H](NC(=O)N[C@H](C)c1ccc(N(C)C)cc1)C(N)=O	838559960	REJUTKWBAGJFLR-ZWNOBZJWSA-N	292.383	1.377	10	20	CDCD	
C[C@@H]1O[C@H](C)C[C@H]1CNC(=O)c1c(F)ccc(O)c1O	839844403	GVCPMUPYDCNALH-VGMNWLOBSA-N	283.299	1.780	10	20	CDCD	
CC(C)(C)[C@@H](O)C(=O)NCc1ccc(O)cc1O	910949153	GJTZWPBWHRQEEE-NSHDSACASA-N	253.298	1.121	10	20	CDCD	
Cc1cccc(CN2CCO[C@@H]([C@H](C)N)C2)c1O	843056971	DKKYUYPTCPOFSA-WCQYABFASA-N	250.342	1.249	10	20	CDCD	
C[C@H]1CCN(Cc2cccc(F)c2O)C[C@@H]1CN	841100534	HCLNCBUIHSIMGI-JQWIXIFHSA-N	252.333	1.948	10	20	CDCD	
O=C(C[C@@H]1COC(=O)C1)NCc1cc(Cl)ccc1O	846476770	PZGPDPXLPFRSTP-QMMMGPOBSA-N	283.711	1.615	10	20	CDCD	
CSC[C@@H](C)C(=O)NCc1ccc(O)cc1O	910953466	BQWUTEMVPOUVKA-MRVPVSSYSA-N	255.339	1.713	10	20	CDCD	
COc1ccc(CNC(=O)O[C@H]2CCOC2)c(O)c1	915164032	KNRFGCFJVHHDHR-NSHDSACASA-N	267.281	1.416	10	20	CDCD	
CCNCCNCc1ccc(N2CCOCC2)cc1	841037201	PYMBMFODHWGDKJ-UHFFFAOYSA-N	263.385	1.222	10	20	CDCD	
COC(=O)[C@@H]1CN(Cc2c(O)cccc2Cl)C[C@H](C)O1	846059849	LBLIWEINSMWRCQ-ZANVPECISA-N	299.754	1.808	10	20	CDCD	
CCOc1ccc(CN2CCC(CN)CC2)c(O)c1	843047701	WRFYHNBJINVNIM-UHFFFAOYSA-N	264.369	1.962	10	20	CDCD	
CCOc1ccc(CN(C)[C@@H](C)CCO)c(O)c1	846110901	LFYCXMGNRHOXFA-NSHDSACASA-N	253.342	1.994	10	20	CDCD	
CCn1cnc(C(=O)NCc2ccc(OC)cc2O)c1	846951652	ZKYXZJIOBLCOGR-UHFFFAOYSA-N	275.308	1.547	10	20	CDCD	
CN1CCN(c2ccc(CN3CCC[C@@H](N)C3)cc2)CC1	843043802	IAKSVQVMCJKYNI-MRXNPFEDSA-N	288.439	1.362	10	20	CDCD	
COCCNCCNCc1ccc(N(C)C)cc1C	841048116	LPQKYWFDJGEQFI-UHFFFAOYSA-N	265.401	1.387	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NOCCOC(C)C)c1	858482485	PNCIUUMWLJUFIZ-UHFFFAOYSA-N	282.340	1.856	10	20	CDCD	
CCOCc1cc(CN[C@@H]2CCOC[C@H]2O)ccc1OC	858300292	HEZAYPUDCHWYFS-HUUCEWRRSA-N	295.379	1.471	10	20	CDCD	
COC[C@@](C)(O)CN[C@H](C)c1cc([N+](=O)[O-])ccc1O	756576408	NKKIHMGSCQTQLR-RNCFNFMXSA-N	284.312	1.348	10	20	CDCD	
CC[C@H](NC[C@]1(O)CCN(C)C1)c1ccc(N(C)C)cc1	762790183	XZZJBQCTCSUADW-DLBZAZTESA-N	291.439	1.860	10	20	CDCD	
CON(C)C(=O)[C@@H](C)NCc1cc(Cl)c(C)cc1O	862542303	LGVMVMXAESEJSC-SECBINFHSA-N	286.759	1.852	10	20	CDCD	
CN(C(=O)[C@@H]1CCc2cnn(C)c2C1)c1ccc(N)cc1	877076055	LQCNPYQYDBJFAH-LLVKDONJSA-N	284.363	1.770	10	20	CDCD	
CNC(=O)[C@@H]1CCC[C@@H]1NCc1cc(F)ccc1O	779102178	RQKRFKATZFIHJE-NEPJUHHUSA-N	266.316	1.536	10	20	CDCD	
C[C@@H](NC(=O)C1(O)CCC1)c1ccc(N(C)C)cc1	775412183	UVSRIDXMJUWKMJ-LLVKDONJSA-N	262.353	1.845	10	20	CDCD	
CO[C@@H]1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)C1	779527545	GIZIZIXNAFVILX-USEMIUTHSA-N	263.293	1.358	10	20	CDCD	
Cn1cnn(-c2ccc(NCc3ccccc3O)cc2)c1=O	779131091	HLAIQTHNYKJHHE-UHFFFAOYSA-N	296.330	1.889	10	20	CDCD	
Oc1c(F)cc(F)cc1CNCCN1C[C@@H]2CC[C@H](C1)O2	883135161	WSLDCVMKGZCHFZ-BETUJISGSA-N	298.333	1.623	10	20	CDCD	
COCC1(S(=O)(=O)Nc2ccc(O)cc2C)CC1	882706386	BCMPGJHERXAENW-UHFFFAOYSA-N	271.338	1.621	10	20	CDCD	
C[C@H](NC[C@@H]1COCCO1)c1cc(F)ccc1O	94617775	BDASQGKJRDNOHA-GXSJLCMTSA-N	255.289	1.597	10	20	CDCD	
CCOc1ccc(CN2C[C@@H]3C[C@]3(CO)C2)c(O)c1	783735319	PGGFGEUUKTVELI-SWLSCSKDSA-N	263.337	1.605	10	20	CDCD	
COc1cc(C)cc(CNCC2(CO)CCOCC2)c1O	894359930	USNMYUQNVSHJGU-UHFFFAOYSA-N	295.379	1.588	10	20	CDCD	
COc1cc(C)cc(CN2C[C@@H](C)[C@@H](O)C2)c1O	897676765	XKZBATCOYWECQZ-PWSUYJOCSA-N	251.326	1.522	10	20	CDCD	
COc1nccc(NC(=O)N(C)Cc2ccccc2O)n1	789816394	OAPMGCCUGBOXFE-UHFFFAOYSA-N	288.307	1.855	10	20	CDCD	
COc1ccc(N2CCN(C(C)=O)CC2)cc1F	82713980	SZUGJPJJYZWXPX-UHFFFAOYSA-N	252.289	1.503	10	20	CDCD	
O=C(N[C@H]1CCN(CC2CC2)C1)c1cccc(O)c1O	790667420	AEPYKXNHMNKAQI-NSHDSACASA-N	276.336	1.312	10	20	CDCD	
O=C(N[C@@H](CO)CC1CCC1)c1cc(O)cs1	795766926	BAVGSJVKXOWNKI-SECBINFHSA-N	255.339	1.735	10	20	CDCD	
COC(=O)[C@H](C)NCc1cc(C)cc(OC)c1O	894563332	NCQQAZBDUWJVJX-VIFPVBQESA-N	253.298	1.360	10	20	CDCD	
CO[C@@H]1[C@@H](C)[C@H](NC(=O)c2cccc(O)c2O)C1(C)C	790917018	YDTKAILBLKZMKF-AQUOVQTQSA-N	279.336	1.887	10	20	CDCD	
COc1ccc(CNC(=O)NCCCF)c(O)c1	793012879	VAOVIDPJEDEQDA-UHFFFAOYSA-N	256.277	1.560	10	20	CDCD	
COc1cccc(O)c1CN1CC[C@@H](CN(C)C)C1	769403915	JSKDVANNAIHODQ-LBPRGKRZSA-N	264.369	1.784	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)CNC(C)(C)C	1318811318	HRBFKQKRWUUTOP-UHFFFAOYSA-N	291.395	1.866	10	20	CDCD	
C[C@H](C(=O)N(C)Cc1ccccc1O)n1ccnc1	1324415125	YUBBISWAXMCYSA-LLVKDONJSA-N	259.309	1.808	10	20	CDCD	
CC(C)[C@@H](CO)CNC(=O)NCc1ccc(N)cc1	1337070412	QAXASCPIAODZHL-GFCCVEGCSA-N	265.357	1.333	10	20	CDCD	
CCO[C@@H]1COCC[C@H]1NC(=O)NCc1ccc(N)cc1	1335555108	BWLIYFBCCUXKDE-ZIAGYGMSSA-N	293.367	1.262	10	20	CDCD	
CCOc1ccc(O)c(CNCC[C@H](C)NC)c1	1331420141	UWSMCHAWEUQCGA-NSHDSACASA-N	252.358	1.879	10	20	CDCD	
Cc1c(NCc2cc(F)cc(F)c2O)cnn1CC(=O)O	1607548610	HIORALPOVMFLNB-UHFFFAOYSA-N	297.261	1.872	10	20	CDCD	
CCN(C)C[C@@H](O)CSc1ncc(C(=O)O)s1	1605407520	CEZQPCPBRBDYQW-SSDOTTSWSA-N	276.383	1.246	10	20	CDCD	
CC(=O)C(=O)CSc1nc2ccc(C(=O)O)cc2o1	1609567990	OOENDEJZDDXNKL-UHFFFAOYSA-N	279.273	1.776	10	20	CDCD	
Cc1cc(-c2nn[nH]n2)nc(N[C@@H](C)c2ccccc2O)n1	1605583894	YJGSGBARCAEKAQ-VIFPVBQESA-N	297.322	1.844	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)c1ccc(-c2nn[nH]n2)o1	1609280826	FWTSFYUSJSYMQD-UHFFFAOYSA-N	299.290	1.438	10	20	CDCD	
COc1ccc(CNCc2c[nH]c(C(=O)O)c2)c(O)c1	1607259901	DHUSLCSKPOKBIH-UHFFFAOYSA-N	276.292	1.717	10	20	CDCD	
CC1(C)CNC[C@H]1NC(=O)/C=C/c1ccc(O)c(O)c1	1576472284	GOIPGWQCJBDZBA-DIECRNLCSA-N	276.336	1.225	10	20	CDCD	
CC[C@H](C(=O)O)N(C)C(=O)/C=C\c1ccc(O)c(O)c1	1589433241	CRUSRSAPEMAEAB-ONRRBMGISA-N	279.292	1.433	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)N[C@H](C)CC(=O)O)c1	1594105862	OUZWFNDBYHCFMZ-RKDXNWHRSA-N	296.323	1.624	10	20	CDCD	
CN(C)c1cc(F)c(CN2C[C@H]3[C@@H](C2)[C@@H]3C(=O)O)cc1F	1598305469	GWFPSAWQFYEUTD-MSRIBSCDSA-N	296.317	1.793	10	20	CDCD	
CC(C)(CNCc1ccc(N2CC[C@@H](O)C2)cc1)C(=O)O	1776294519	SWQLQSPSDTVBLS-CQSZACIVSA-N	292.379	1.458	10	20	CDCD	
CC[C@H](N)C(=O)NCc1ccc2c(c1)CCCN2C	166475988	SSTJYTLHXFVYRX-ZDUSSCGKSA-N	261.369	1.423	10	20	CDCD	
CC(=O)NCCCCCC(=O)NCCc1ccc(N)cc1	152479751	OMAZMDZJQFSMLG-UHFFFAOYSA-N	291.395	1.624	10	20	CDCD	
O=C1OC[C@H]2CN(Cc3cc(F)cc(F)c3O)CCN12	1262109127	KBSPMJIPQAQLNV-SNVBAGLBSA-N	284.262	1.307	10	20	CDCD	
C[C@H](NCc1ccc(N(C)C)cc1)[C@@H](C)C(=O)O	846228279	LPBUCOVKKUQKOZ-MNOVXSKESA-N	250.342	1.951	10	20	CDCD	
CC(C)[C@@H]1CNCCN1C(=O)Cc1ccc(N)cc1	876997285	SBAFXVYAKAYQSG-AWEZNQCLSA-N	261.369	1.268	10	20	CDCD	
COc1cccc(CNCCNC(=O)C(C)C)c1O	20125239	LPFZHFVVYXYILH-UHFFFAOYSA-N	266.341	1.263	10	20	CDCD	
Oc1cc2c(cc1CN1CC[C@@]3(CCOC3)C1)OCO2	151296676	JPOZYHLISHNQRN-OAHLLOKOSA-N	277.320	1.733	10	20	CDCD	
O=S1(=O)CC[C@H](CNCc2ccc3c(c2)CCO3)C1	38052028	ZPKWKQVOKTUZAY-GFCCVEGCSA-N	281.377	1.146	10	20	CDCD	
Oc1ccc(F)cc1CNCCN1CCC(O)CC1	294783116	GXDJMMQYBDBAOI-UHFFFAOYSA-N	268.332	1.078	10	20	CDCD	
O=C(O)C[C@@H]1CN(Cc2cc(F)cc(F)c2O)CCO1	708091859	YGDMNWADFZLCAP-SNVBAGLBSA-N	287.262	1.346	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CC[C@](F)(CO)C2)c1O	802014307	PQMDNPMKJCQLEZ-CQSZACIVSA-N	285.290	1.640	10	20	CDCD	
OC[C@@H](C[C@@H]1CCCO1)NCc1ccc2c(c1)CCO2	886228639	CMMUOXPCCUDZMB-CABCVRRESA-N	277.364	1.641	10	20	CDCD	
Cc1[nH]ncc1CCCNCc1cc2c(cc1O)OCO2	50182865	GEZIDZUUOQYFBO-UHFFFAOYSA-N	289.335	1.875	10	20	CDCD	
CCN1CCO[C@H](C(=O)NCc2ccc(N(C)C)cc2)C1	174439935	DUQVHPGVDACVSJ-HNNXBMFYSA-N	291.395	1.090	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1cn(C)cn1	178157859	YUSAPRIGSUWLPM-UHFFFAOYSA-N	272.352	1.758	10	20	CDCD	
Cc1cc(C(=O)NCc2ccc(N(C)C)cc2)n(C)n1	126030763	GJNPPZAYGFRRAI-UHFFFAOYSA-N	272.352	1.725	10	20	CDCD	
CCCN1CCN(Cc2cc(OC)ccc2O)CC1	131694075	WPJXIMUTLXPLGA-UHFFFAOYSA-N	264.369	1.928	10	20	CDCD	
COc1cc(Cl)cc(CNC[C@@H](O)C2CC2)c1O	229051954	JEWAGOYVLHMIHN-LLVKDONJSA-N	271.744	1.915	10	20	CDCD	
COc1ccc(O)c(CN(CC(=O)O)C2CC2)c1	86751929	HRWUIRXMQSORQZ-UHFFFAOYSA-N	251.282	1.450	10	20	CDCD	
Cc1cc(C(=O)N[C@@H](C)C(=O)O)c(C)n1-c1ccccn1	237468143	ADVLFMRCZDTXQG-JTQLQIEISA-N	287.319	1.692	10	20	CDCD	
CC(C)[C@H](C(=O)Nc1ccc(N)cc1)N1CCCC1=O	236805697	VXZJUNXAUVATOD-CQSZACIVSA-N	275.352	1.854	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@]2(C)CCNC2)cc1F	237085708	XXVHXMOIXZJMJU-OAHLLOKOSA-N	279.359	1.508	10	20	CDCD	
NCC[C@H]1CCCCN1C(=O)Cc1ccc(N)cc1	294714402	CDNPQXKQHHOUFU-CQSZACIVSA-N	261.369	1.541	10	20	CDCD	
CC[C@H](C)[C@@H](O)CNC(=O)NCc1ccc(N(C)C)cc1	264864297	PRWUZIPYZVSQGW-WFASDCNBSA-N	293.411	1.959	10	20	CDCD	
CCN(C)C(=O)[C@H](C)NC(=O)NCc1ccccc1O	276587112	PNPKHPSRNIOQQL-JTQLQIEISA-N	279.340	1.058	10	20	CDCD	
C[C@H](N[C@H]1CCCCNC1=O)c1cc([N+](=O)[O-])ccc1O	273378342	HTRMRGKYHNBKHC-CABZTGNLSA-N	293.323	1.620	10	20	CDCD	
COC[C@@H]1CCCN(C(=O)c2c(F)ccc(O)c2O)C1	276529291	DRJRKMFLDPBLGT-SECBINFHSA-N	283.299	1.736	10	20	CDCD	
COc1cc(O)c([C@@H]2NC(=O)CN2CC(C)C)cc1OC	271052518	QLWDUSXOVJIKDV-OAHLLOKOSA-N	294.351	1.496	10	20	CDCD	
CCCCN(CCO)Cc1cccc(OC)c1O	270995916	JRRSAFVTNBBLCG-UHFFFAOYSA-N	253.342	1.995	10	20	CDCD	
Cc1ccc(C(=O)NC[C@@H]2CCOC[C@H]2C)c(O)c1O	287083267	YIUAGKQGCUNCOC-MNOVXSKESA-N	279.336	1.809	10	20	CDCD	
CCc1cc(O)ccc1NS(=O)(=O)C[C@@H](C)OC	282250650	RGBUCGXJMUYTDI-SECBINFHSA-N	273.354	1.731	10	20	CDCD	
CO[C@H]1COC[C@@H]1N[C@@H](C)c1ccc(F)c(F)c1O	290296317	YJCFYBOYPUYVBH-SWPVVBRQSA-N	273.279	1.735	10	20	CDCD	
CS[C@@H](C)CN1C(=O)CN(Cc2ccccc2O)C1=O	819168221	NHWFHFFXLDCRAE-JTQLQIEISA-N	294.376	1.908	10	20	CDCD	
O=C1CN(Cc2ccccc2O)C(=O)N1CCC1CC1	819167564	FCMHFIMVUCLMCY-UHFFFAOYSA-N	274.320	1.957	10	20	CDCD	
CCOC(=O)[C@@H]1NCC[C@@H]1NCc1ccc(N(C)C)cc1	817896706	QBZDZQXVJHIJGW-LSDHHAIUSA-N	291.395	1.136	10	20	CDCD	
COC(OC)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C	823663202	NMBBFROGLIPRFG-GFCCVEGCSA-N	294.395	1.727	10	20	CDCD	
CN(Cc1cn(C)nn1)Cc1cc(Cl)ccc1O	827304809	GHSBCLCMIDNHBC-UHFFFAOYSA-N	266.732	1.806	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)[C@H](F)C(F)(F)F	827613056	DNXDNPINESRUBC-QMMMGPOBSA-N	267.178	1.614	10	20	CDCD	
CCC[C@H](O)C(=O)NCc1cc(Cl)ccc1O	823988040	ZYUIKOFOQOKRFC-NSHDSACASA-N	257.717	1.823	10	20	CDCD	
CC(C)NC1(CO)CCN(C(=O)c2cc(O)cs2)CC1	908610369	YOWFOPQRYZVZFI-UHFFFAOYSA-N	298.408	1.419	10	20	CDCD	
C[C@H](CN(C)Cc1ccc(N2CCOCC2)cc1)C(=O)O	901596662	AVOXAYVRYBWCPL-CYBMUJFWSA-N	292.379	1.676	10	20	CDCD	
COC[C@@](C)(NCc1ccc2c(c1)CCCO2)C(=O)O	900035255	FWHDUYFZXWTXSN-OAHLLOKOSA-N	279.336	1.591	10	20	CDCD	
C[C@H](NC(=O)C[C@H]1CC(=O)N1)c1ccc(N(C)C)cc1	832430690	HBGOTSVMTSRFQU-JQWIXIFHSA-N	275.352	1.208	10	20	CDCD	
COC(=O)c1cnc(SCCNC(=O)C2CC2)s1	901571248	SRQOZXSTGFAKAL-UHFFFAOYSA-N	286.378	1.548	10	20	CDCD	
OCCCN1CCC[C@H]1CN[C@@H]1CCc2cccc(O)c21	834851274	WBTGTMCZIWTVGK-LSDHHAIUSA-N	290.407	1.816	10	20	CDCD	
CC(=O)N1CCC(CNC(=O)c2cc(O)cs2)CC1	732287938	JLWRFDVRXVSCJK-UHFFFAOYSA-N	282.365	1.442	10	20	CDCD	
CC(C)CNC(=S)NCCc1ccc(O)c(O)c1	916114530	NEXKKXLZZABIEE-UHFFFAOYSA-N	268.382	1.760	10	20	CDCD	
CC[C@H](C)[C@@H](CNC(=O)C(=O)Nc1ccc(N)cc1)OC	841135353	GTMHOZRECRVDEP-GXFFZTMASA-N	293.367	1.385	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2c(CO)noc2C)c1	847590877	JHADFOIKQJSGIJ-UHFFFAOYSA-N	292.291	1.120	10	20	CDCD	
CCO/C=C\C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	847696195	MPEGTVLXNVDMLH-GFVADAIESA-N	265.309	1.695	10	20	CDCD	
CN(C)c1cc(F)c(CNCC[S@@](C)=O)cc1F	858138881	CJSWLSOPKUNQNW-GOSISDBHSA-N	276.352	1.499	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cnc[nH]1	935947125	TXEMKTLOGOVISQ-UHFFFAOYSA-N	266.297	1.531	10	20	CDCD	
CN(C)c1ccc(CN2CC[C@@H]3NC(=O)CC[C@H]3C2)cc1	852495197	KFOAVXCATLQKMQ-HOCLYGCPSA-N	287.407	1.853	10	20	CDCD	
Cn1c(O)nc2ccc(C(=O)NCc3ccccc3O)cc21	752130646	TVIUOFIABIAWKK-UHFFFAOYSA-N	297.314	1.915	10	20	CDCD	
CN(C)c1cc(F)c(CN2CCC(O)CC2)cc1F	862213721	UGCBYVBWDWFDDW-UHFFFAOYSA-N	270.323	1.988	10	20	CDCD	
COc1cccc([C@H](C)N[C@@H]2COCC[C@H]2O)c1O	866497477	MQJWLDOQYLCCQI-MVWJERBFSA-N	267.325	1.201	10	20	CDCD	
O=C(Nc1ccc2nn[nH]c2c1)c1cc(O)cs1	761570679	DQZXCYWUVBRMCP-UHFFFAOYSA-N	260.278	1.977	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCS[C@H]2COCC[C@H]21	768374661	KONFBDAYVUUPGJ-KOLCDFICSA-N	285.390	1.800	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)NCc1ncc[nH]1	779485423	QIJDWZONCBQFAX-RQOWECAXSA-N	259.265	1.151	10	20	CDCD	
COC[C@](C)(CO)NCc1cc(F)cc(C(C)=O)c1O	879163888	NYTFFOYNDQGGME-AWEZNQCLSA-N	285.315	1.221	10	20	CDCD	
CCN(C)c1ccc(CN2C[C@H](CO)OC[C@@H]2C)cc1	773766354	SQVDGCSKMSBPCW-XJKSGUPXSA-N	278.396	1.724	10	20	CDCD	
COCC1(NC(=O)/C=C/c2ccc(O)c(O)c2)CC1	779531739	DTCXBFMTZCYLMO-HWKANZROSA-N	263.293	1.406	10	20	CDCD	
CCN(C)c1ccc(CN2CCN3C(=O)CC[C@@H]3C2)cc1	773810875	CMGMNPVAYIROPP-MRXNPFEDSA-N	287.407	1.949	10	20	CDCD	
COCCNCc1ccc(N2CCC(O)CC2)cc1	62734675	TZBANGHGQFFONZ-UHFFFAOYSA-N	264.369	1.384	10	20	CDCD	
Cc1cc(C(=O)OCC(=O)c2ccc(O)c(O)c2)ncn1	786105756	AYBRQGSHCQXEHO-UHFFFAOYSA-N	288.259	1.236	10	20	CDCD	
C/C(=C/C(=O)N1CCCc2c(O)ncnc21)c1cnccn1	893204192	FXRZOOTYUSXCAI-YFHOEESVSA-N	297.318	1.355	10	20	CDCD	
COc1ccc(CN2CC(OC)C2)c(O)c1OC	894820515	VWINNBNTBAIEQW-UHFFFAOYSA-N	253.298	1.240	10	20	CDCD	
O=C(NCc1ccccc1O)C(=O)c1ccccc1	792239483	FYFKHWTXTNKKJV-UHFFFAOYSA-N	255.273	1.891	10	20	CDCD	
COc1ccc(CNCCN2CC[C@@H](C)C2)c(O)c1OC	893355223	VMQPIJHIJUEVTH-GFCCVEGCSA-N	294.395	1.841	10	20	CDCD	
CCN(C)S(=O)(=O)Nc1ccc(O)c(Cl)c1	271992132	ZMMOYPHLQLXSJC-UHFFFAOYSA-N	264.734	1.654	10	20	CDCD	
CN1CCC[C@@H](NCc2cc(Cl)ccc2O)C1=O	704316600	RATRWSNNJISSIQ-LLVKDONJSA-N	268.744	1.756	10	20	CDCD	
C[C@@H]1CN(C(=O)c2cc(O)cs2)C[C@@]2(CCOC2)O1	796191771	ANBBAMUTAPCLIL-NOZJJQNGSA-N	283.349	1.474	10	20	CDCD	
O=C(N[C@H]1CCCC12OCCO2)c1cccc(O)c1O	716058379	RIONRJQHEMKMBJ-NSHDSACASA-N	279.292	1.123	10	20	CDCD	
C[C@H](CC(=O)O)NCc1cc(F)c(N(C)C)cc1F	1331910676	DKOOFRHEAVJLBX-MRVPVSSYSA-N	272.295	1.984	10	20	CDCD	
C[C@H](CO[C@H]1CCOC1)NC(=O)NCc1ccc(N)cc1	1335528155	BOHNFAPPSBOZTK-RISCZKNCSA-N	293.367	1.262	10	20	CDCD	
CN(C(=O)[C@@H]1CCc2n[nH]cc2C1)c1ccc(N)cc1	1263167994	ARWZGGQWNCODTI-SNVBAGLBSA-N	270.336	1.760	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)[C@@H]1C[C@H]1c1ccncc1	1348141128	TYAXDLKUKPRCIQ-QWHCGFSZSA-N	284.315	1.913	10	20	CDCD	
Cc1cc(O)c(CN[C@@H](CF)C(=O)O)c(Cl)c1	1600286868	YEUMYBJYRLRMGR-VIFPVBQESA-N	261.680	1.866	10	20	CDCD	
COCC[C@@H](C)N[C@H](C)c1cccc(-c2nn[nH]n2)c1O	1605080200	WSYWFGLONDFYSQ-NXEZZACHSA-N	291.355	1.648	10	20	CDCD	
Nc1ccc(CC(=O)N2C[C@@H]3CCC[C@]3(C(=O)O)C2)cc1	1601215908	KPCHCXHFYGVGFN-LRDDRELGSA-N	288.347	1.525	10	20	CDCD	
CC(C)(C)NC(=O)CCNCc1cc(F)ccc1O	226607954	WKAJIIQVJLSFKD-UHFFFAOYSA-N	268.332	1.926	10	20	CDCD	
COCC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	5097779	SENPMKXGUHEPAS-CQSZACIVSA-N	279.384	1.118	10	20	CDCD	
O=C(NC1CCC2(CC1)OCCO2)c1cccc(O)c1O	126170664	CFZLZFBKXVAUFJ-UHFFFAOYSA-N	293.319	1.513	10	20	CDCD	
COc1cccc(O)c1CNCCN1CCCC1=O	846076633	CIYCNDBGNZGEPC-UHFFFAOYSA-N	264.325	1.113	10	20	CDCD	
Cc1ccc(CN[C@@H](C)CC[S@@](C)=O)c(O)c1	877090652	WXBLEQULVJAUOU-APPDUMDISA-N	255.383	1.947	10	20	CDCD	
Cc1ccc(O)c(CNCCN2CCC(O)CC2)c1	294984133	YKRBMSVDICFXOB-UHFFFAOYSA-N	264.369	1.247	10	20	CDCD	
CO[C@]1(CNCc2cccc(C)c2O)CCOC1	126979024	KFSAWVYHPVIWTL-AWEZNQCLSA-N	251.326	1.596	10	20	CDCD	
CC[C@H](C(=O)N(C)Cc1ccccc1O)N(C)C	126437591	HRIAORDBGCWLQH-GFCCVEGCSA-N	250.342	1.691	10	20	CDCD	
c1cc2c(cc1CNCCN1CCOCC1)CCO2	37362670	NCTHEABEGCDSIQ-UHFFFAOYSA-N	262.353	1.043	10	20	CDCD	
COCC1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1	180774878	UXQCYTJHBWZFFM-HWKANZROSA-N	291.347	1.996	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)[C@H]2COCCO2)cc1	193748571	TZPRVBMJPLABSA-OAHLLOKOSA-N	292.379	1.564	10	20	CDCD	
C[C@H](NC(=O)C(C)(C)N)c1ccc(N2CCOCC2)cc1	237541693	NTJPDIPSCKHVOQ-LBPRGKRZSA-N	291.395	1.438	10	20	CDCD	
O=C(NCc1ccccc1O)NC1CC(F)(F)C1	277017230	MFBDQMGMTYLCDY-UHFFFAOYSA-N	256.252	1.989	10	20	CDCD	
Cc1cc(C)c([C@H](C)NCCCN2CCNCC2)c(O)c1	817935615	KLINVNZRGJFKSH-HNNXBMFYSA-N	291.439	1.955	10	20	CDCD	
C[C@H]1CN(Cc2ccc(N(C)C)cc2)C[C@@H](C)N1CCO	824926138	KHYUKCIEBPUKMD-GASCZTMLSA-N	291.439	1.640	10	20	CDCD	
CNC(=O)CN(C)Cc1cc(Cl)c(F)cc1O	827863020	XUYQGPVZRYUTMB-UHFFFAOYSA-N	260.696	1.363	10	20	CDCD	
CC(C)[C@H](C(=O)O)C(=O)N[C@@H](C)c1ccccc1O	902516529	GZVZPRZKYBXIAU-CABZTGNLSA-N	265.309	1.926	10	20	CDCD	
CN(CC(=O)NCc1ccco1)C(=O)c1cc(O)cs1	732264165	BUJVHKJNHXLUME-UHFFFAOYSA-N	294.332	1.435	10	20	CDCD	
CCN(CCC(=O)O)Cc1ccc(N2CCOCC2)cc1	901604833	CZYXGUCRHFEXLQ-UHFFFAOYSA-N	292.379	1.820	10	20	CDCD	
O=C(CCCC(=O)C1CC1)NCc1ccc(O)cc1O	910943788	HICGSFCHUZPCFZ-UHFFFAOYSA-N	277.320	1.863	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CCSCC(=O)O)cc1	737377196	JANHLCWBEASQMG-UHFFFAOYSA-N	296.392	1.577	10	20	CDCD	
Nc1ccc(NC(=O)CNC(=O)CC2CCCC2)cc1	832244060	IGUOAHDEEXBBMQ-UHFFFAOYSA-N	275.352	1.904	10	20	CDCD	
C[C@H](CC(N)=O)NCc1ccc(N2CCOCC2)c(F)c1	749127061	UEFACWXXHVHOFF-LLVKDONJSA-N	295.358	1.016	10	20	CDCD	
F[C@@H]1CN[C@H](CNCc2ccc(N3CCOCC3)cc2)C1	841080256	VVFXALCEHCOAKZ-GJZGRUSLSA-N	293.386	1.313	10	20	CDCD	
Cn1cc(C(=O)COC(=O)c2cc(O)cs2)cn1	741320996	RIYFUBPQEYBXCZ-UHFFFAOYSA-N	266.278	1.227	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CCNC2CC2)cc1F	848412096	JRWYCHHPGKZIEB-UHFFFAOYSA-N	279.359	1.650	10	20	CDCD	
CCCNC(=O)CN[C@@H](C)c1cccc(OC)c1O	846139025	ZVIYWVHVQIIGJJ-JTQLQIEISA-N	266.341	1.578	10	20	CDCD	
COc1cc(O)c(CNC[C@@H]2CCCN2)cc1OC	841035801	MOMUCUUDEIGDSE-NSHDSACASA-N	266.341	1.251	10	20	CDCD	
CCOc1ccc(O)c(CN2CCO[C@@H]([C@@H](C)N)C2)c1	843057903	NVMDRHHQUABDDK-IAQYHMDHSA-N	280.368	1.339	10	20	CDCD	
Cc1cc(=O)c(C(=O)NCc2ccc(N(C)C)cc2)cn1C	846628942	JCGVLQMMWBDVQK-UHFFFAOYSA-N	299.374	1.690	10	20	CDCD	
COC(=O)[C@H]1COCCN1Cc1ccc(N(C)C)cc1C	840917581	KSRGQFKFKMAKJM-OAHLLOKOSA-N	292.379	1.435	10	20	CDCD	
NC[C@H]1CCN(Cc2ccc(N3CCOCC3)cc2)C1	843048725	UFBPKFQYOZBAFL-OAHLLOKOSA-N	275.396	1.304	10	20	CDCD	
C[C@@H](O)[C@@H](O)CN(Cc1ccco1)Cc1ccccc1O	929969633	OZRNCOJOXIQBNR-WBMJQRKESA-N	291.347	1.729	10	20	CDCD	
CNC[C@@H](C)NCc1cc(Cl)cc(OC)c1O	853249096	NEQHSMDVJPIIAF-MRVPVSSYSA-N	258.749	1.752	10	20	CDCD	
CC[C@](C)(O)C(=O)NCc1ccc(N(C)C)cc1C	932944176	RZECDOQNSGCBQJ-HNNXBMFYSA-N	264.369	1.838	10	20	CDCD	
CC[C@@H](CO)N1CCN(c2ccc(OC)cc2OC)CC1	931530735	OMGPRVUTZAEJET-ZDUSSCGKSA-N	294.395	1.597	10	20	CDCD	
Cc1cc(C(=O)O[C@H]2CCNC2=O)c(C)n1-c1ccccn1	769999552	RGSABXOWXGMLBQ-ZDUSSCGKSA-N	299.330	1.534	10	20	CDCD	
Cc1cccc(O)c1CN1CCN([C@H]2CCC[C@H]2O)CC1	876688700	VYOASUSSSKUQLJ-DOTOQJQBSA-N	290.407	1.732	10	20	CDCD	
Cc1ccc(CN2CC(=O)N[C@H]3CCCC[C@@H]32)c(O)c1	876652572	PYNGGXNCEIUKNV-KBPBESRZSA-N	274.364	1.944	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCCCN1C	773740986	RJELDMGOVZUGSP-WCQYABFASA-N	292.379	1.629	10	20	CDCD	
Nc1ccc(CNC(=O)N2CCOC[C@@H]2C2CC2)cc1	1120677099	JEABORHLSZMUFF-CQSZACIVSA-N	275.352	1.589	10	20	CDCD	
CC[C@H](CO)C(=O)NCc1c(O)ccc2c1CCCC2	779811497	FETHFQOQLMZXON-LLVKDONJSA-N	277.364	1.906	10	20	CDCD	
Cc1ccc(C(=O)NCc2[nH]cnc2C)c(O)c1O	780954153	BFEQSDGRWPKZTB-UHFFFAOYSA-N	261.281	1.368	10	20	CDCD	
Cc1ccc(C(=O)NCCN(C)C2CC2)c(O)c1O	780907670	VOWAPRHBJQEIKD-UHFFFAOYSA-N	264.325	1.230	10	20	CDCD	
Nc1ccc(CNC(=O)NC[C@@H]2CCSC2)cc1	1120532749	LYKSVVGGXGTCJP-NSHDSACASA-N	265.382	1.821	10	20	CDCD	
CCO[C@H](CC)C(=O)OCC(=O)c1ccc(O)c(O)c1	783175327	MHPHVXMDXRDGIE-CYBMUJFWSA-N	282.292	1.639	10	20	CDCD	
OCC[C@@H]1CSCCN1Cc1cc(F)cc(F)c1O	894088306	KQJJYXPOSIMDPA-LLVKDONJSA-N	289.347	1.970	10	20	CDCD	
O=C(COC(=O)c1cccc(F)n1)c1ccc(O)c(O)c1	784647686	UKORIGZCZQSOAA-UHFFFAOYSA-N	291.234	1.672	10	20	CDCD	
CC(=O)N1CCC[C@@H]1C(=O)NCc1ccccc1O	269122019	GDJVXGPGJSTAPA-GFCCVEGCSA-N	262.309	1.019	10	20	CDCD	
CCN(Cc1cc(C)ccc1O)[C@H](C)CS(C)(=O)=O	93391187	GZQYVDSNDCGPLL-GFCCVEGCSA-N	285.409	1.956	10	20	CDCD	
Nc1c(Cl)cc(N2C(=O)CNC2=O)cc1Cl	390334672	LKSQPHBJBXFFAS-UHFFFAOYSA-N	260.080	1.632	10	20	CDCD	
CN(CC(=O)N(C)C)Cc1ccc(N2CCCC2)cc1	1203013283	VIFSNVSWTOERKY-UHFFFAOYSA-N	275.396	1.807	10	20	CDCD	
C[C@H](N[C@@H]1CC(=O)N(C)C1)c1cc(F)ccc1O	273580547	MOGRIWUIKKVVJM-WCBMZHEXSA-N	252.289	1.413	10	20	CDCD	
C[C@H](NCC1(C)OCCO1)c1cc(F)ccc1O	186212123	ASYBVDXXTBKMHH-VIFPVBQESA-N	255.289	1.945	10	20	CDCD	
CN1CC[C@@](O)(CNCc2cccc(Cl)c2O)C1	702602006	FGRGQSXTSVPGGZ-CYBMUJFWSA-N	270.760	1.202	10	20	CDCD	
O=C(N[C@@H]1CCC[C@@H]2OCC[C@@H]21)c1cccc(O)c1O	193134325	OSZQJQOKOGLODY-XWIASGKRSA-N	277.320	1.785	10	20	CDCD	
COc1ccc(CNC(=O)C2CCN(C)CC2)c(O)c1	794380718	HRQOQNBVTOXNCK-UHFFFAOYSA-N	278.352	1.359	10	20	CDCD	
C[C@@H]1O[C@H](C)[C@H](C(=O)NCc2ccc(N)cc2)[C@H]1C	87206451	QWNOPGFWQYOVKY-KZWBYHQPSA-N	262.353	1.945	10	20	CDCD	
Nc1ccc(CCNC(=O)C[C@H]2CCCCO2)cc1	95030820	JWANXHLTAHFJKP-CQSZACIVSA-N	262.353	1.887	10	20	CDCD	
C[C@H](NCCN1CCC(CO)CC1)c1ccccc1O	1320137183	LMTOSMVLHCIQRZ-ZDUSSCGKSA-N	278.396	1.747	10	20	CDCD	
O=C(c1c(F)ccc(O)c1O)N1CC[C@@H]2OCCC[C@@H]2C1	1324411384	BMCLRFGXHBXGSR-SKDRFNHKSA-N	295.310	1.878	10	20	CDCD	
Cc1ccc(O)c(CNS(=O)(=O)N2CCCCCC2)c1	1334976525	VGRDGHLKDSYMAD-UHFFFAOYSA-N	298.408	1.911	10	20	CDCD	
CC1(C(=O)NCc2cccc(O)c2O)CCOCC1	1352657820	MHGNQPILMFNTEA-UHFFFAOYSA-N	265.309	1.531	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CC[C@H]1C(=O)O	1589079613	UDRDAJRIMFSBCH-FBIMIBRVSA-N	293.319	1.256	10	20	CDCD	
C[C@H](CC(=O)O)NC(=O)c1ccc(N=NC(N)=O)cc1	1599888925	IQZYMTNFPOIQRJ-SSDOTTSWSA-N	278.268	1.442	10	20	CDCD	
CN(C)c1ccc(CN2[C@H](C(=O)O)CC[C@H]2C(=O)O)cc1	1777039402	VNHARNUSZQUANJ-STQMWFEESA-N	292.335	1.255	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)[C@H]1COc2ccccc21	156587028	KQACHSZIDBUFCL-ZDUSSCGKSA-N	299.326	1.933	10	20	CDCD	
CCn1ncc(CNCc2ccc(N(C)C)cc2)n1	838895885	VRNBFRWSLUOSIO-UHFFFAOYSA-N	259.357	1.654	10	20	CDCD	
O=C1NCCC[C@H]1CN[C@@H]1CCc2cccc(O)c21	840826813	WJMULGDGIFOMGZ-NWDGAFQWSA-N	260.337	1.495	10	20	CDCD	
Oc1cc2c(cc1CNCC[C@H](O)C1CC1)OCO2	898207081	ZSDNEMUJUKCGMM-NSHDSACASA-N	265.309	1.372	10	20	CDCD	
CCOc1cccc(CN[C@@H](C)[C@@H](CO)SC)c1O	152486700	AIPRDVJCJDGSGZ-GXFFZTMASA-N	285.409	1.993	10	20	CDCD	
CN(Cc1cccc(Cl)c1O)[C@H]1CCNC1=O	775745224	RVTZPZMMAJFMGP-JTQLQIEISA-N	254.717	1.366	10	20	CDCD	
COC(=O)[C@@H]1CC[C@H]1C(=O)NCc1ccccc1O	286812906	RYRAMOVLGDAHSQ-GHMZBOCLSA-N	263.293	1.208	10	20	CDCD	
CCNC(=O)CN(CC)Cc1ccc(N(C)C)cc1	102675970	BCGDMROTYCSMBQ-UHFFFAOYSA-N	263.385	1.711	10	20	CDCD	
COc1cccc(CNC(=O)C2(O)CCCC2)c1O	105651702	IUHMDESXSBIUJZ-UHFFFAOYSA-N	265.309	1.322	10	20	CDCD	
O=C(N[C@H]1CCOC2(CCC2)C1)c1cccc(O)c1O	279686021	BBARHUIUZQOODK-JTQLQIEISA-N	277.320	1.929	10	20	CDCD	
O=S1(=O)CCC[C@@H]1CNCc1cccc(Cl)c1O	124860981	PKTPGPNTZGHIJP-SNVBAGLBSA-N	289.784	1.712	10	20	CDCD	
COC[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C1CC1	181247863	VQMAOLPILKVUGE-QDBLGGKGSA-N	277.320	1.652	10	20	CDCD	
C/C=C/C[C@@H](CO)NC(=O)c1ccc(C)c(O)c1O	187149306	NFJUROXMJZIUBA-FSIBCCDJSA-N	265.309	1.463	10	20	CDCD	
CCOCCOCCNCc1cc(F)cc(F)c1O	922944684	MQJYQELKMYUCNS-UHFFFAOYSA-N	275.295	1.813	10	20	CDCD	
Cc1cc(O)c(CN2CCc3nn(C)c(=O)cc3C2)cc1C	72916272	WEEDJWAWGKBALZ-UHFFFAOYSA-N	299.374	1.661	10	20	CDCD	
COCCN(C)Cc1cc(F)cc(C(C)=O)c1O	42459779	MJZMQPCOPSOFQA-UHFFFAOYSA-N	255.289	1.812	10	20	CDCD	
C[C@H](CC(=O)O)CC(=O)NCc1ccccc1O	228402271	MIZYPQBLTSHDAW-VIFPVBQESA-N	251.282	1.509	10	20	CDCD	
Cc1cc(O)c(CN2CCS(=O)(=O)C[C@H](C)C2)cc1C	191380330	JPTQVXPTRORSDC-LLVKDONJSA-N	297.420	1.876	10	20	CDCD	
Cc1c(CNC(=O)c2nnn(C)c2C)n(C)c2ccccc12	348703354	XSGWKCGXCSLLEP-UHFFFAOYSA-N	297.362	1.854	10	20	CDCD	
C[C@@]1(CO)CN(Cc2cccc(Cl)c2O)C[C@]1(C)CO	529668535	KYLOKYTZARYYMV-GASCZTMLSA-N	299.798	1.858	10	20	CDCD	
CCO[C@@H]1C[C@H](NCc2cccc(OC)c2O)[C@@H]1OC	274992692	ZFZFKYCWQINEGY-LNSITVRQSA-N	281.352	1.683	10	20	CDCD	
Cc1cc(C(=O)NC(C)(C)CO)c(C)n1-c1ccccn1	270376262	AMTAXSWUVDOKTG-UHFFFAOYSA-N	287.363	1.990	10	20	CDCD	
Oc1cc2c(cc1CN1CC[C@H](n3cncn3)C1)OCO2	368799470	ITGIIUUCVCXPSA-NSHDSACASA-N	288.307	1.159	10	20	CDCD	
O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1C[C@]12CCNC2	364211803	IXBKCVKUNRCLCP-AEFFLSMTSA-N	299.418	1.903	10	20	CDCD	
COC(=O)[C@]1(C)CCCN1C(=O)c1ccc(C)c(O)c1O	275205218	DTXFBPPVIUHWJE-HNNXBMFYSA-N	293.319	1.574	10	20	CDCD	
CCOC(=O)CN(C(=O)c1ccc(C)c(O)c1O)C1CC1	271240273	DWGWSXGLZAGTOI-UHFFFAOYSA-N	293.319	1.574	10	20	CDCD	
Cc1cccc(CNC[C@H](CO)[C@@H]2CCOC2)c1O	280987085	WQVIZSBCUOCAJM-ZIAGYGMSSA-N	265.353	1.435	10	20	CDCD	
CN(C)c1ccc(CNCCCn2cc(CO)nn2)cc1	289960485	VJQLGDBAQBRHBL-UHFFFAOYSA-N	289.383	1.016	10	20	CDCD	
C[C@@H]1CCC[C@@]1(O)CNC(=O)/C=C/c1ccc(O)c(O)c1	293953520	ALXXHFBZZXIFCQ-BCJLSBFOSA-N	291.347	1.778	10	20	CDCD	
C[C@H]1CN(C(=O)c2c(F)ccc(O)c2O)C[C@H](C2CC2)O1	296319272	ORBNTHYVTPDJBZ-QPUJVOFHSA-N	295.310	1.876	10	20	CDCD	
C[C@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)C[C@@H](C)N1C	294100721	YHIWBNZGFJAHAY-MNHHLFBFSA-N	290.363	1.662	10	20	CDCD	
CCCOc1ccc([C@@H]2NC(=O)CN2C)c(O)c1	298766115	BLGPABDDCJZDOA-CYBMUJFWSA-N	250.298	1.241	10	20	CDCD	
O=C(NC[C@H]1CC[C@@H](O)C1)c1c(F)ccc(O)c1O	295046634	AIALCIJLRBDEQM-JGVFFNPUSA-N	269.272	1.128	10	20	CDCD	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)CO)cc1	294502842	VJIIKUKJDLMRTB-UHFFFAOYSA-N	288.347	1.867	10	20	CDCD	
CC(=O)N[C@H]1CCN(Cc2cc3c(cc2O)CCCC3)C1	817367625	KLMFGXQEQOEOAS-INIZCTEOSA-N	288.391	1.981	10	20	CDCD	
CS(=O)(=O)[C@@H]1CCCC[C@H]1NCCc1ccc(N)cc1	817956032	OEKWFYFSLRUZCE-HUUCEWRRSA-N	296.436	1.757	10	20	CDCD	
COCC[C@@H](CO)NCc1cc(Cl)c(C)cc1O	825773736	OOMXLDYUMBVMPW-NSHDSACASA-N	273.760	1.841	10	20	CDCD	
COc1cccc(CNC(=O)COC[C@H]2CCCO2)c1O	729859539	USFCZBWYTMGHBN-GFCCVEGCSA-N	295.335	1.213	10	20	CDCD	
COc1ccc(N2CCC(NCC3(N)CC3)CC2)cc1	902415876	LPZIJTMUMXMING-UHFFFAOYSA-N	275.396	1.745	10	20	CDCD	
Cn1ncc2c1CCC[C@H]2NC(=O)c1cc(O)cs1	731868796	WEVUGSXQDBDFSU-SNVBAGLBSA-N	277.349	1.995	10	20	CDCD	
CCOc1ccc(O)c(CN2CCO[C@H](CC(=O)O)C2)c1	833662963	OZBOVNYGJHGHIC-CYBMUJFWSA-N	295.335	1.466	10	20	CDCD	
CCC1(CNC(=O)NCc2ccc(N(C)C)cc2)COC1	836237564	JEUJORIKZBJNLX-UHFFFAOYSA-N	291.395	1.978	10	20	CDCD	
CCOc1ccccc1NC[C@H](O)C[C@]1(O)CCOC1	905294707	JOEDHXWQDWXWKW-IUODEOHRSA-N	281.352	1.400	10	20	CDCD	
CN(CCCN1CCCC1)C(=O)c1c(F)ccc(O)c1O	839754721	VFEOHTGDXQWMPW-UHFFFAOYSA-N	296.342	1.795	10	20	CDCD	
O=C(c1c(F)ccc(O)c1O)N1CC[C@H](CCCO)C1	839791261	GJBJOAAIKRMNKM-VIFPVBQESA-N	283.299	1.472	10	20	CDCD	
O=C(NCc1ccccc1O)N[C@@H]1CCN2CCC[C@H]2C1	748460342	OFGQDFFJSLKZPW-KGLIPLIRSA-N	289.379	1.818	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCNC1	841939388	PRPPIXHHPLVLEA-AWEZNQCLSA-N	290.411	1.646	10	20	CDCD	
Cc1noc(CCC(=O)NCc2cc(Cl)ccc2O)n1	846473145	PIHMFKRYGMXMKZ-UHFFFAOYSA-N	295.726	1.986	10	20	CDCD	
CO[C@@H](C)CC(=O)NCc1ccc(N2CCOCC2)cc1	749575882	GMPCXYZHGOOWPV-ZDUSSCGKSA-N	292.379	1.564	10	20	CDCD	
CN(C)c1ccc([C@@H](N)CNC(=O)C(=O)C(C)(C)C)cc1	843298295	LXQWZDBWGMRCHE-ZDUSSCGKSA-N	291.395	1.484	10	20	CDCD	
CCn1cc(C(=O)N[C@@H](C)c2cc(OC)ccc2O)nn1	934939863	DIXWLGVDVSKDJL-VIFPVBQESA-N	290.323	1.503	10	20	CDCD	
C[C@@H](NC(=O)Nc1nnn(C)n1)c1ccc(N(C)C)cc1	932260399	JAXHHPHKSSJYJO-SECBINFHSA-N	289.343	1.159	10	20	CDCD	
O=C(NCc1ccccc1O)C(=O)Nc1ccc(F)nc1	766409833	SVSAHWLMUQJXEU-UHFFFAOYSA-N	289.266	1.181	10	20	CDCD	
CC(C)CC[C@@H](CO)NC(=O)c1cccc(O)c1O	862778660	KDQXPAQBDKBNLP-JTQLQIEISA-N	267.325	1.625	10	20	CDCD	
CCCn1cc(CNCc2cc(C)ccc2O)nn1	865641535	ZQUFQJDMZMYBME-UHFFFAOYSA-N	260.341	1.992	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)c1ccc([N+](=O)[O-])[nH]1	767773270	GIGMXHYVRGFHLZ-UHFFFAOYSA-N	291.263	1.307	10	20	CDCD	
COC/C=C\C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	867302048	JCAHMVYJLCSUSZ-XOULXFPDSA-N	265.309	1.348	10	20	CDCD	
CN(C)c1cc(F)c(CN2CC[C@H](CO)C2)cc1F	862237746	VLUMGRCELUQWNO-JTQLQIEISA-N	270.323	1.845	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2CCOC(C)(C)C2)c1O	774839117	AYLMZTWFEKKSIO-UHFFFAOYSA-N	296.323	1.920	10	20	CDCD	
Cc1cccc(O)c1CNC[C@@H](C)CN1CCOCC1	877057130	VFHLNDCOQQQTOV-CYBMUJFWSA-N	278.396	1.759	10	20	CDCD	
COC(=O)[C@@H]1CN(C)CCN(Cc2c(C)cccc2O)C1	877587428	LAGRROKUMCOAEY-CYBMUJFWSA-N	292.379	1.237	10	20	CDCD	
CN(CC(=O)NCc1ccc(O)c(O)c1)[C@H]1CCSC1	778927676	SNUJMOHQWNEVMB-NSHDSACASA-N	296.392	1.151	10	20	CDCD	
CC(C)[C@@](C)(O)C(=O)NCCc1ccc(O)c(O)c1	771416124	FOPPDSNPMCORTR-CQSZACIVSA-N	267.325	1.164	10	20	CDCD	
COC[C@@H](NCc1cc(F)cc(F)c1O)[C@H]1CCCO1	883106186	KSTFIWOHHKBVGG-CHWSQXEVSA-N	287.306	1.954	10	20	CDCD	
COc1ccc(CN2C[C@@H](C)C[C@H](CO)C2)c(O)c1OC	894974671	JBBHBKSZUYKGNF-RYUDHWBXSA-N	295.379	1.860	10	20	CDCD	
Cc1ccc(C(=O)Nc2c3c(nn2C)CCC3)c(O)c1O	780908619	GCITWXITADSSCM-UHFFFAOYSA-N	287.319	1.881	10	20	CDCD	
C[C@H]1CCN(CCNC(=O)NCc2ccccc2O)C1	892527085	ICLDZIYVBQZRJV-LBPRGKRZSA-N	277.368	1.533	10	20	CDCD	
COc1ccc(CNCCC2(C)OCCO2)c(O)c1OC	893579274	BUPPCRLAVMGMJS-UHFFFAOYSA-N	297.351	1.652	10	20	CDCD	
CCn1ccnc(NCc2ccc(N(C)C)cc2)c1=O	90999153	GPGCCHSXBACERG-UHFFFAOYSA-N	272.352	1.941	10	20	CDCD	
CCN(CCC(=O)NC)Cc1cc(F)cc(F)c1O	897708973	GWMCFFGPXITCOZ-UHFFFAOYSA-N	272.295	1.628	10	20	CDCD	
COC(=O)N1CC(C)(NCc2cc(Cl)ccc2O)C1	894542836	PJLWRBLDCYDPFF-UHFFFAOYSA-N	284.743	1.976	10	20	CDCD	
C[C@H](N[C@H]1CC(=O)N(C)C1)c1cc(F)ccc1O	273580550	MOGRIWUIKKVVJM-WPRPVWTQSA-N	252.289	1.413	10	20	CDCD	
CC[C@@H](NC[C@@H](O)CN(C)C)c1ccccc1O	717355554	VJEZKOXBXKKGOW-DGCLKSJQSA-N	252.358	1.355	10	20	CDCD	
COc1cccc(O)c1CN(C)[C@H](C)CS(C)(=O)=O	769416633	JYMPIAIOLJPDAM-SNVBAGLBSA-N	287.381	1.266	10	20	CDCD	
CN[C@H](C)CCNCc1cc(OC)c(OC)cc1O	1327414445	BXUQBDLUQZVZAE-SNVBAGLBSA-N	268.357	1.497	10	20	CDCD	
O=C(NC[C@H](CO)CC1CCOCC1)c1cc(O)cs1	1328620149	CZPQSWMZJJAGJM-LLVKDONJSA-N	299.392	1.609	10	20	CDCD	
CNC[C@@H](C)NC(=O)N[C@H](C)c1ccccc1O	1333600702	LFMJLVNLTKMPPV-NXEZZACHSA-N	251.330	1.360	10	20	CDCD	
CCN(CC)CC[C@@H](C)NC(=O)c1cccc(O)c1O	1348360597	NKBMDAGUZQGFTJ-LLVKDONJSA-N	280.368	1.948	10	20	CDCD	
C[C@@H]1OCC[C@@H]1C(=O)NCc1cccc(O)c1O	1352657265	BKECMSOSPQRRMN-WPRPVWTQSA-N	251.282	1.139	10	20	CDCD	
C[C@H](N[C@H](C)C(F)F)c1cccc(-c2nn[nH]n2)c1O	1603647951	AJVKGOMSCCYOTD-NKWVEPMBSA-N	283.282	1.877	10	20	CDCD	
COC[C@]1(C(=O)O)CCCN1C(=O)c1cc(O)cs1	1606833138	JJLMOPIIWNHVCH-LBPRGKRZSA-N	285.321	1.160	10	20	CDCD	
CCO[C@@H]1COC[C@H]1N[C@H](C)c1cc(C(=O)O)ccc1O	1596981398	ZISXIFLXWLPVNT-GAJTVXKRSA-N	295.335	1.545	10	20	CDCD	
CC[C@H](N[C@H](C)c1cc(C(=O)O)ccc1O)[C@@H](C)O	1595278880	KRVCWBPGJVDGOI-LNLATYFQSA-N	267.325	1.900	10	20	CDCD	
C[C@H](CCO)CN[C@H](C)c1cc(C(=O)O)ccc1O	1592529933	JDAPIYNAGOXPJI-NXEZZACHSA-N	267.325	1.760	10	20	CDCD	
C[C@@]1(C(=O)O)CCCN(C(=O)Cc2ccc(O)c(O)c2)C1	1593766050	FPYDIYVUVSCBCQ-OAHLLOKOSA-N	293.319	1.354	10	20	CDCD	
COc1cccc(CNCCC(=O)NC(C)(C)C)c1O	134591771	OAAYXCTXHXYEGQ-UHFFFAOYSA-N	280.368	1.795	10	20	CDCD	
COC[C@@H](CO)NCc1ccc(N2CCCC2)cc1	234876480	HRPMZVMVWVSBHL-CQSZACIVSA-N	264.369	1.384	10	20	CDCD	
c1nc(CCNCc2ccc3c(c2)CCCO3)n[nH]1	921822652	VNNXLJSMVLAGTE-UHFFFAOYSA-N	258.325	1.462	10	20	CDCD	
Cc1ccc(O)c(CN2CCN([C@@H]3CCOC3)CC2)c1	827119559	NHABBVUASLFTAV-OAHLLOKOSA-N	276.380	1.607	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@@]12CCCNC2	848398751	WKZPDFPHFAVMLO-XJKSGUPXSA-N	274.364	1.740	10	20	CDCD	
CCNC(=O)CCN[C@@H](C)c1cc(OC)ccc1O	135728360	RQCBSMQTWHHYPF-JTQLQIEISA-N	266.341	1.578	10	20	CDCD	
C[C@@H](CS(C)(=O)=O)N(C)Cc1ccccc1O	179574831	FWFYGRGNCVEKQE-JTQLQIEISA-N	257.355	1.257	10	20	CDCD	
CC[C@@H](N[C@H](C)CC(=O)NC)c1ccccc1O	323032895	MSXRYVBJQAFVHM-ZYHUDNBSSA-N	250.342	1.958	10	20	CDCD	
CCOc1cccc(CN2CCC[C@@H]2C(N)=O)c1O	179579853	OPKZBYXKHWMOLT-LLVKDONJSA-N	264.325	1.241	10	20	CDCD	
CC(C)C(=O)NCCN[C@H](C)c1ccccc1O	20125223	BQKVJZKVLZHZSV-LLVKDONJSA-N	250.342	1.815	10	20	CDCD	
CN(Cc1ccccc1O)c1ncnc2nc(N)ccc12	302650026	MYUDRTSPRQRSPA-UHFFFAOYSA-N	281.319	1.949	10	20	CDCD	
CN(C)c1ccc(CNS(=O)(=O)CCC2CC2)cc1	120498176	GVCKFGTVCMLZLK-UHFFFAOYSA-N	282.409	1.972	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1ccoc1	186424872	FSTUARJNZVIQDM-JTQLQIEISA-N	275.304	1.981	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2cccc(C(N)=O)c2)cc1	30523563	JDHQFNPMTINWLJ-UHFFFAOYSA-N	297.358	1.782	10	20	CDCD	
COc1cccc(CNCCCc2cnn(C)c2)c1O	237197462	KJVPVFQIMFPKQB-UHFFFAOYSA-N	275.352	1.857	10	20	CDCD	
CCc1nc(C(=O)NCCc2ccc(O)c(O)c2)co1	159462142	QFNSJSDSHKSAAO-UHFFFAOYSA-N	276.292	1.621	10	20	CDCD	
COc1ncncc1NC(=O)N(C)Cc1ccccc1O	135804828	FFABXFAMLXUYEL-UHFFFAOYSA-N	288.307	1.855	10	20	CDCD	
CCOc1cccc(CNCC2(C)COC2)c1O	83523036	OHHMXHZDCCFXSW-UHFFFAOYSA-N	251.326	1.917	10	20	CDCD	
C[C@@H](NC(=O)Cc1ccc(N)cc1)C(C)(C)CN(C)C	237638946	SEMSCGHLMKYHTL-GFCCVEGCSA-N	277.412	1.904	10	20	CDCD	
CN(C)c1ccc(CNC(=O)Nc2cnns2)cc1	190791718	YTGQPSOLLIEFBC-UHFFFAOYSA-N	277.353	1.926	10	20	CDCD	
C[C@@H](NCC(=O)NCC1CC1)c1ccc(N(C)C)cc1	181291384	ZVYYILCCPSTUNO-GFCCVEGCSA-N	275.396	1.929	10	20	CDCD	
COC(=O)[C@@H]1C[C@@H](OC)CCN1Cc1cc(C)ccc1O	360001059	UUEBECTUSZWAMS-KBPBESRZSA-N	293.363	1.853	10	20	CDCD	
Cc1cccc(CN2CC[C@H](NC(=O)NC3CC3)C2)c1O	273734618	KVUDUDAQSNXWQA-AWEZNQCLSA-N	289.379	1.737	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1=COCCO1	274919809	LCNYDYFVBKABPW-SECBINFHSA-N	279.292	1.033	10	20	CDCD	
COc1ccc(O)c(CN2CCOC[C@H]2[C@H]2CCCO2)c1	377689465	BUBWOXREFUCOIJ-GOEBONIOSA-N	293.363	1.781	10	20	CDCD	
CC[C@@H](CO)N(C)Cc1cc2c(cc1O)OCO2	295021625	CHNKNFUYOPTJEY-JTQLQIEISA-N	253.298	1.324	10	20	CDCD	
CC(C)[C@@H](NC(=O)c1cc(O)cs1)c1nncn1C	807672100	ZKIFXUAGTKUFAT-SNVBAGLBSA-N	280.353	1.709	10	20	CDCD	
CCOC(=O)[C@H](F)C1CN(Cc2cccc(OC)c2O)C1	294050982	WZLMQJGWUKKJIW-CYBMUJFWSA-N	297.326	1.734	10	20	CDCD	
Cc1ccc([C@H](C)N[C@@H]2COC[C@H]2O)c(O)c1C	296094957	YLHCOORHYWQGLP-CYZMBNFOSA-N	251.326	1.419	10	20	CDCD	
COc1ccc(CNC(=O)OC2CCOCC2)c(O)c1	810076703	INTPGHOXRSWSPO-UHFFFAOYSA-N	281.308	1.806	10	20	CDCD	
Cc1cc(CN2CCNC(=O)C[C@@H]2C)ccc1N(C)C	815078597	CMHLKIKNVPBTFY-ZDUSSCGKSA-N	275.396	1.771	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N[C@@H]2CCCC[C@H]2N)cc1	818647234	TZOVWGWIQDXZKP-HUUCEWRRSA-N	290.411	1.822	10	20	CDCD	
C[C@H](NC(=O)N[C@@H]1CC[C@H]1O)c1ccc(N(C)C)cc1	824506454	WFAOYUHOWHVNOE-ZLKJLUDKSA-N	277.368	1.636	10	20	CDCD	
C[C@@H](CNC(=O)c1cc(O)cs1)Cn1ccnc1	828404219	PUKDWMZYOCLAOR-VIFPVBQESA-N	265.338	1.716	10	20	CDCD	
CCOc1ccc(CN2CCO[C@H](C(=O)O)C2)c(O)c1	820386995	IFTRCLPXOCRVJR-ZDUSSCGKSA-N	281.308	1.076	10	20	CDCD	
CO[C@H](C(=O)NCc1ccc(O)cc1O)C1CC1	824230672	HFRARYBLECASHL-LBPRGKRZSA-N	251.282	1.139	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@]2(C)CCCCO2)c1	837484618	ITVVPGZKFLAROX-HNNXBMFYSA-N	279.336	1.976	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)c2ccc(C)nn2)c1	839649011	CNCQHHVDJIDJGX-JTQLQIEISA-N	287.319	1.990	10	20	CDCD	
CN(C)c1ccc([C@H](N)CNC(=O)c2cccnc2)cc1	832283767	BEWKZFTXWRLAMC-OAHLLOKOSA-N	284.363	1.577	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)N[C@@H]1CCC[C@H](N)C1	841981786	IVOZKTYVJSJQLY-QWHCGFSZSA-N	277.368	1.804	10	20	CDCD	
CCOc1ccc(O)c(CN2CCC[C@H](NC)C2)c1	843048736	VAOGGEOUXCLJAX-ZDUSSCGKSA-N	264.369	1.975	10	20	CDCD	
COC1(OC)CC(NC(=O)/C=C\c2ccc(O)c(O)c2)C1	911027977	IHMJRXIMZJNWEB-XQRVVYSFSA-N	293.319	1.379	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@H](N)C1CC1	841828592	WHRVPVCFCWUPEF-OAHLLOKOSA-N	290.411	1.598	10	20	CDCD	
COC1(C)CN(C(=O)NCc2ccc(N(C)C)cc2C)C1	753191082	OBGLPLYCPHKGJC-UHFFFAOYSA-N	291.395	1.991	10	20	CDCD	
CCn1ccnc1[C@@H](C)NC(=O)Cc1ccc(N)cc1	852913470	VVPGGTNMWBUFDD-LLVKDONJSA-N	272.352	1.905	10	20	CDCD	
CC(C)N(Cc1ccc(N(C)C)cc1)Cc1nnnn1C	750283600	GALQLSFPEBQSJK-UHFFFAOYSA-N	288.399	1.687	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NOCC1CCC1	856349308	CHJQFFKECJPCLJ-FNORWQNLSA-N	263.293	1.959	10	20	CDCD	
Nc1ccc(CN2CCN(C3CCOCC3)CC2)cc1	1335285319	MZLWSRBGHHDOGO-UHFFFAOYSA-N	275.396	1.565	10	20	CDCD	
COc1cccc(O)c1CN1CCC[C@](C)(O)C1	769468681	OBJFUSIUXKEOAU-AWEZNQCLSA-N	251.326	1.748	10	20	CDCD	
COc1ccc(N(C)CCN(C)C(=O)C2CSC2)cc1	869142551	FXQFBUCGYBYSQD-UHFFFAOYSA-N	294.420	1.953	10	20	CDCD	
COCC(COC)n1cc(COc2ccc(N)cc2)nn1	864630387	MAALCISTEPKHQD-UHFFFAOYSA-N	292.339	1.273	10	20	CDCD	
CCN1CC[C@H](NC(=O)N[C@H](C)c2ccccc2O)C1=O	868588531	LFXGAEBMZQONCQ-PWSUYJOCSA-N	291.351	1.373	10	20	CDCD	
Cc1ccc(CN2CCS(=O)(=O)C[C@@H](C)C2)c(O)c1	877477515	CURUXLSIBLBJCN-LBPRGKRZSA-N	283.393	1.567	10	20	CDCD	
O=C1NC(=O)/C(=C\c2cc(F)c(O)c(F)c2)S1	874928803	SZRWQMYBINQIKO-XVNBXDOJSA-N	257.217	1.994	10	20	CDCD	
CCOc1cccc(CN(CC)CC(=O)N(C)C)c1O	133213485	VFBLNVMEVOARNP-UHFFFAOYSA-N	280.368	1.701	10	20	CDCD	
C[C@@H]1C[C@@H](N[C@@H]2CCOC[C@H]2O)c2c(O)ccc(F)c21	872141221	QYQDHCQDEOQGLF-UORFTKCHSA-N	281.327	1.819	10	20	CDCD	
C[C@H](CCO)NC(=O)N[C@H](C)c1ccc(N(C)C)cc1	776144180	OEPWBGSWFIMXTR-VXGBXAGGSA-N	279.384	1.884	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@@H](O)CCSC)c1	788662011	MRBLBFLDNUCFSY-LBPRGKRZSA-N	285.365	1.131	10	20	CDCD	
COc1ccc(CC(=O)NCc2ccccc2O)nc1	789994911	BNPYVRMSVRIGIU-UHFFFAOYSA-N	272.304	1.655	10	20	CDCD	
CCOc1ccc(O)c(CN2C[C@H](O)C[C@H]2C)c1	788269443	NRFLFQBXIVWNQJ-ZYHUDNBSSA-N	251.326	1.746	10	20	CDCD	
CN(C)c1ccc(CN[C@@H](CO)C2CCOCC2)cc1F	782388592	ZTPDOMNTTQQCGB-HNNXBMFYSA-N	296.386	1.769	10	20	CDCD	
COc1ccc(O)c(CN(C)C[C@H](C)C(=O)O)c1	86807848	MSFXQNNFVZCEIN-VIFPVBQESA-N	253.298	1.553	10	20	CDCD	
COC(=O)[C@H](CC(F)F)NCc1ccccc1O	789583353	WRVOJLZVXNQLTH-VIFPVBQESA-N	259.252	1.679	10	20	CDCD	
NC(=O)c1cccc(C(=O)NCc2ccccc2O)c1	701156605	FVLHJYLQCXPRSJ-UHFFFAOYSA-N	270.288	1.421	10	20	CDCD	
COc1ccc(CNC(=O)NCc2ccon2)c(O)c1	792971999	SPVBRVNKPUIOBC-UHFFFAOYSA-N	277.280	1.388	10	20	CDCD	
CN(Cc1cc(F)cc(F)c1O)Cc1nncn1C	708386868	XRUMLNWMLLBIBV-UHFFFAOYSA-N	268.267	1.431	10	20	CDCD	
CC(C)N(C)S(=O)(=O)N[C@H](C)c1ccccc1O	867834591	RGNVNDYHXZTASA-SNVBAGLBSA-N	272.370	1.628	10	20	CDCD	
Nc1ccc2c(NCc3ccccc3O)ncnc2n1	1320601456	CKFWODQQKDIMDR-UHFFFAOYSA-N	267.292	1.925	10	20	CDCD	
CCOc1ccc(N2CCN(C(=O)[C@@H](C)O)CC2)cc1	1320948988	HXEPDZKCDLNLBZ-GFCCVEGCSA-N	278.352	1.115	10	20	CDCD	
C[C@@H](CNC(=O)NCc1ccc(N)cc1)Cn1cccn1	1336772385	MJWJIGPLABPABC-LBPRGKRZSA-N	287.367	1.601	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CC2CC1(C(=O)O)C2	1601238778	NMYLQLYBIJFDJW-DUXPYHPUSA-N	289.287	1.187	10	20	CDCD	
CC(C)(CC(=O)O)CC(=O)NCc1c(O)cccc1O	1603583467	BDJLOJHBMAWMDM-UHFFFAOYSA-N	281.308	1.605	10	20	CDCD	
CCOc1cccc(CNC[C@@]2(O)CCO[C@H]2C)c1O	227976303	RVROYRDVFVEVSJ-NHYWBVRUSA-N	281.352	1.420	10	20	CDCD	
Cc1ccc(C(=O)NC[C@H](C(=O)O)C(C)C)c(O)c1O	1574356698	FPDAYUARGSTWGA-JTQLQIEISA-N	281.308	1.493	10	20	CDCD	
C[C@H](NCC1(CO)CC1)c1cc(C(=O)O)ccc1O	1593248725	LIWKDAGBMVCXDL-VIFPVBQESA-N	265.309	1.514	10	20	CDCD	
CC[C@@H](CO)NC(=O)NCc1ccc(N2CC=CC2)cc1	155715158	GDQDBXNEDYDELL-AWEZNQCLSA-N	289.379	1.633	10	20	CDCD	
O=C1NCCC[C@@H]1CN[C@H]1CCc2cccc(O)c21	840826812	WJMULGDGIFOMGZ-NEPJUHHUSA-N	260.337	1.495	10	20	CDCD	
Cc1cc(C(=O)N(C)Cc2ccccc2O)n(C)n1	126619260	FYWUGBUPOXVYHW-UHFFFAOYSA-N	259.309	1.706	10	20	CDCD	
Cc1ccc(CNCC2([S@@](C)=O)CC2)c(O)c1	877499157	LVYVIENUTNNECB-QGZVFWFLSA-N	253.367	1.701	10	20	CDCD	
CC(C)CNCc1ccc(N2CCS(=O)(=O)CC2)cc1	62736130	ZLMKXZSPAIXKLM-UHFFFAOYSA-N	296.436	1.667	10	20	CDCD	
COc1ccc(O)c(CN[C@@H]2CCCS(=O)(=O)C2)c1	69143153	QHNDKDJAPXPWLO-LLVKDONJSA-N	285.365	1.068	10	20	CDCD	
O=C1NCCCC[C@@H]1NCc1ccc2c(c1)CCCO2	921525039	JXEICSAWEIMPJJ-AWEZNQCLSA-N	274.364	1.770	10	20	CDCD	
CCOCCC(=O)NCc1cccc(OC)c1O	105649837	FCPWIVLZVYCPBK-UHFFFAOYSA-N	253.298	1.444	10	20	CDCD	
COc1cccc(CNC(=O)[C@H]2CCCOC2)c1O	105649906	YKBHHSFBYHMPPY-NSHDSACASA-N	265.309	1.444	10	20	CDCD	
Cc1ccc(O)c(CNCCSCCCO)c1	113338229	ZYIGJPIYORYHGK-UHFFFAOYSA-N	255.383	1.906	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2	186380357	JVLYPYKJGBKISF-NFOTXUCKSA-N	291.347	1.713	10	20	CDCD	
CC[C@]1(CO)CCCN1C(=O)/C=C/c1ccc(O)c(O)c1	189176970	HZQLGSMFCJMCFB-BIENSFFJSA-N	291.347	1.875	10	20	CDCD	
O=[N+]([O-])c1ccc(O)c(CN[C@@H]2CCC[C@H]2CCO)c1	189929939	KTKZODRELFFOIS-GXFFZTMASA-N	280.324	1.941	10	20	CDCD	
COC[C@H](O)CCNCc1cccc(Cl)c1O	224933773	LMHFYNNZNZFJEA-SNVBAGLBSA-N	259.733	1.533	10	20	CDCD	
Cc1cc(O)c(CN2CCN3C(=O)NC[C@@H]3C2)cc1C	91864516	VTHFLRZCXPUERP-CYBMUJFWSA-N	275.352	1.218	10	20	CDCD	
Cc1nc(CN2CCOc3cc(N(C)C)ccc32)no1	163184320	VZDYTGGWFBFALP-UHFFFAOYSA-N	274.324	1.843	10	20	CDCD	
Oc1ccc(F)cc1CN[C@@H]1C[C@H]2CC[C@H]1NC2	530247146	VYOTUIMXTYSCFQ-OASPWFOLSA-N	250.317	1.761	10	20	CDCD	
C[C@@H](N)CCC(=O)NCc1ccc(N2CCOCC2)cc1	277466297	JIIFAOWCPQBHPE-CYBMUJFWSA-N	291.395	1.267	10	20	CDCD	
COc1ccc2c(c1)CCCCN2CCCS(N)(=O)=O	270918131	UTDKNDVAIMZLFK-UHFFFAOYSA-N	298.408	1.517	10	20	CDCD	
NC(=O)C[C@@H]1CCN(Cc2cc3c(cc2O)CCCC3)C1	808229245	OSZKAIFIGCBSQA-LBPRGKRZSA-N	288.391	1.968	10	20	CDCD	
Cc1cc(Cl)cc([C@@H](C)NC[C@H](O)CN(C)C)c1O	808693998	XHULROOXHYNYJO-PWSUYJOCSA-N	286.803	1.927	10	20	CDCD	
C[C@@H]1CC(=O)NCCN1Cc1cc(Cl)cc(F)c1O	809765865	RXFGOXMAEXHTJB-MRVPVSSYSA-N	286.734	1.895	10	20	CDCD	
CCC[C@@]1(CO)CCN(C(=O)c2cccc(O)c2O)C1	290482539	DFJWAWRSNUWHPM-OAHLLOKOSA-N	279.336	1.723	10	20	CDCD	
COCC1(O)CN(Cc2cc(Cl)cc(OC)c2O)C1	297401325	CDOBBZNDKXYNHE-UHFFFAOYSA-N	287.743	1.247	10	20	CDCD	
Cc1ccc([C@H](C)NCC(=O)N2CCNCC2)c(O)c1C	817945685	JHOSCWCODOERBW-ZDUSSCGKSA-N	291.395	1.091	10	20	CDCD	
C[C@@H](NC[C@H]1CNCCO1)c1ccc(F)cc1O	817984399	XOBDFIJSBSNGAV-MWLCHTKSSA-N	254.305	1.170	10	20	CDCD	
Cc1ccc(C(=O)N2CCN(C(=O)C3CC3)C2)c(O)c1O	817672632	XRIYZWJMMRDIQT-UHFFFAOYSA-N	290.319	1.058	10	20	CDCD	
CCNC(=O)[C@@H](C)NCc1cc(Cl)c(C)cc1O	825417386	LUPDAQAJYNPIBE-SECBINFHSA-N	270.760	1.968	10	20	CDCD	
COC1(C)CN(C(=O)c2c(F)ccc(O)c2O)C1	827583300	HRGRJSDBGCJVDL-UHFFFAOYSA-N	255.245	1.098	10	20	CDCD	
CC[C@H](O)CCCNC(=O)c1c(F)ccc(O)c1O	826795226	XBUMXUPUPMFXDA-QMMMGPOBSA-N	271.288	1.518	10	20	CDCD	
C[C@H](NC(=O)C[C@@H](C)N)c1ccc(N2CCOCC2)cc1	827726155	SLWJIRBLFBEJQH-OLZOCXBDSA-N	291.395	1.438	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CN1CCCC1	821806380	AUTNDSMKKKLXQQ-LLVKDONJSA-N	278.352	1.241	10	20	CDCD	
CCN(CC)c1ccc(CN(C)CC(=O)NC)cc1F	827867355	GJVCVTZCLIFSDG-UHFFFAOYSA-N	281.375	1.850	10	20	CDCD	
COc1cccnc1CNCc1cc2c(cc1O)OCO2	825249290	AHXPGGREEWSYDI-UHFFFAOYSA-N	288.303	1.814	10	20	CDCD	
Cc1nonc1C(=O)NCCCSc1nccs1	736680137	ADDIVTVZONCQRO-UHFFFAOYSA-N	284.366	1.747	10	20	CDCD	
CC(=O)NCC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C	839915923	MZWMVAZEUFQUBZ-GFCCVEGCSA-N	291.395	1.244	10	20	CDCD	
CCOc1ccc(CNC[C@@](C)(O)COC)c(O)c1	732672461	JJTBIMPAGGNLDE-CQSZACIVSA-N	269.341	1.278	10	20	CDCD	
COc1ccc(N(C)CCN(C)CCCC(=O)O)cc1	844401777	QNLLBBDYMWHZBE-UHFFFAOYSA-N	280.368	1.928	10	20	CDCD	
N[C@@H]1CCC[C@H](NCc2cc3c(cc2O)OCO3)C1	841056150	YNHZNXCAFIWQDB-MNOVXSKESA-N	264.325	1.480	10	20	CDCD	
O=C(CCOC[C@H]1CCCO1)NCc1ccccc1O	748346501	ZANGWCAFRPUDQR-CYBMUJFWSA-N	279.336	1.594	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN[C@H](CO)[C@H]1CCCOC1	840964248	VIEPOXBNNURQAI-DOTOQJQBSA-N	292.423	1.938	10	20	CDCD	
NCCNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	841922247	ZDEDMFHIOXDOFH-CYBMUJFWSA-N	293.367	1.042	10	20	CDCD	
CN(C)c1nc(CNC(=O)c2cc(O)cs2)cs1	746893165	AAAWBMDRTFNUTJ-UHFFFAOYSA-N	283.378	1.906	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N2CC[C@@H](N)C2)cc1F	841759496	GPCRSSZLXNFTDF-LLVKDONJSA-N	280.347	1.134	10	20	CDCD	
CCOc1ccc(N(C)CC(=O)Nc2cnccn2)cc1	851781076	NCWJGTGYSWWMLU-UHFFFAOYSA-N	286.335	1.950	10	20	CDCD	
CN(C)c1ccc(CN[C@H]2C[C@H](CO)C2)cc1F	923008132	PMHHPWPYVZNRBI-HAQNSBGRSA-N	252.333	1.752	10	20	CDCD	
CN1CCCc2cc(CN[C@H]3CNCCOC3)ccc21	925532354	RHBRIQSVGHMUQS-HNNXBMFYSA-N	275.396	1.147	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H](CO)C[C@@H]2CCCO2)c(O)c1O	923740711	JRDFEEYLIWXUAP-MNOVXSKESA-N	295.335	1.066	10	20	CDCD	
Cn1ncc(C(=O)NCc2ccccc2O)c1-n1cccc1	750239057	JVMCLFSYJKDDBY-UHFFFAOYSA-N	296.330	1.846	10	20	CDCD	
COc1cccc(O)c1CN1CC[C@H](C)[S@](=O)CC1	763494455	ULDVKUKGRKSJIP-JEOXALJRSA-N	283.393	1.744	10	20	CDCD	
CC(C)[C@@H]1CNCCN1C(=O)NCCc1ccc(N)cc1	861641261	QOJMGJYNPJNPFS-HNNXBMFYSA-N	290.411	1.451	10	20	CDCD	
CCN(CC)c1ccc(CN[C@@H]2COCC[C@H]2O)cc1F	865749188	DKVYGBZSMBGGRG-GDBMZVCRSA-N	296.386	1.911	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NC2(C)COC2)cc1	866083918	WDMWMDQTZPKFCR-UHFFFAOYSA-N	263.341	1.341	10	20	CDCD	
OCCCN(Cc1cc2c(cc1O)OCO2)C1CC1	769404780	PQDJHSIEVKRJSV-UHFFFAOYSA-N	265.309	1.468	10	20	CDCD	
CCN(C)c1ccc([C@@H](C)N[C@@H]2COCC[C@H]2O)cc1	866498488	XREZSMSEVZNRGC-DAXOMENPSA-N	278.396	1.943	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)C2CSC2)c1	866764771	OUEFBXPOAOAOGY-QMMMGPOBSA-N	267.350	1.941	10	20	CDCD	
CCN(CC(=O)N(C)C)C(=O)/C=C/c1ccc(O)c(O)c1	779514128	KFKDMNVZLFSYOU-SOFGYWHQSA-N	292.335	1.048	10	20	CDCD	
Nc1ccc(CCNC(=O)[C@@H](N)C2CCCCC2)cc1	1118256585	YCRBPGKPNBRINH-HNNXBMFYSA-N	275.396	1.835	10	20	CDCD	
CO[C@H]1CN[C@@](C)(C(=O)N[C@H](C)c2ccccc2O)C1	877256309	RWRAECOVKOGFTJ-UEKVPHQBSA-N	278.352	1.336	10	20	CDCD	
CN(C(=O)CCCn1ccccc1=O)c1ccc(N)cc1	877078214	IFLVFNVMWZQRDM-UHFFFAOYSA-N	285.347	1.874	10	20	CDCD	
COC(=O)C1(C(=O)CSc2nccs2)CC1	690524898	KQLYUAZBHBKMJT-UHFFFAOYSA-N	257.336	1.758	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN(C)Cc2cn[nH]c2)c1O	774885305	QVQJLPVNHXZVFP-UHFFFAOYSA-N	292.295	1.664	10	20	CDCD	
CO[C@@H]1C[C@H](NC(=O)c2ccc(C)c(O)c2O)C1(C)C	780963332	AIXRBLJPRZOAPC-WDEREUQCSA-N	279.336	1.950	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H](C)C(C)(C)O)c(O)c1O	780954175	BNYZWNQLYCBBLC-QMMMGPOBSA-N	253.298	1.295	10	20	CDCD	
Nc1ccc(OCc2cn(CC3CCNCC3)nn2)cc1	881428507	GWHDRTLUXYSUQE-UHFFFAOYSA-N	287.367	1.439	10	20	CDCD	
CCN(CC)c1ccc(CNCCN2CCNC2=O)cc1	886324594	ZVDVEULSAFRTJN-UHFFFAOYSA-N	290.411	1.648	10	20	CDCD	
C[C@H]1C[C@H](C(=O)NCc2ccc(N(C)C)c(F)c2)CO1	784077762	XWEQNGPUOUXLBP-JQWIXIFHSA-N	280.343	1.933	10	20	CDCD	
CC[C@@H](C)[C@H](N)C(=O)N[C@H](C)c1ccccc1O	877255471	DUGAERSLPCDMCJ-BREBYQMCSA-N	250.342	1.943	10	20	CDCD	
CC(=O)N1CC[C@H](CN(C)C(=O)c2cc(O)cs2)C1	1328625334	YGRZIKRVHPCXAI-SNVBAGLBSA-N	282.365	1.394	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)C(=O)N1C[C@H]2C=C[C@H]1C2	1338173473	WRZDNBGWMHTEIT-AAEUAGOBSA-N	286.331	1.138	10	20	CDCD	
CN1CCCC[C@@H]1CNC(=O)NCCc1ccc(N)cc1	1338625376	INJIBXMRRDWRHO-OAHLLOKOSA-N	290.411	1.595	10	20	CDCD	
O=C(NCc1cccc(O)c1O)[C@@H](F)C(F)(F)F	1263894329	BAVRQZDTLXPYQV-MRVPVSSYSA-N	267.178	1.614	10	20	CDCD	
NC(=O)[C@H]1CCCN1Cc1cc(Cl)ccc1O	160328658	FVEOKJPEUQWMNE-SNVBAGLBSA-N	254.717	1.495	10	20	CDCD	
O=C(O)[C@H](CC1CCOCC1)NCc1cccc(F)c1O	1608533494	PSPOXWDPYHKWDB-ZDUSSCGKSA-N	297.326	1.891	10	20	CDCD	
O=C(O)c1cnc(SCCC2OCCO2)s1	1608979091	JHWUHMBGZWCTSM-UHFFFAOYSA-N	261.324	1.696	10	20	CDCD	
Cc1cc(CN[C@]2(C(=O)O)CCOC2)ccc1N(C)C	1610462235	YOFIIHXRAXFFKJ-OAHLLOKOSA-N	278.352	1.394	10	20	CDCD	
C[C@H](O)C[C@@H](C)NCc1ccc(N2CCOCC2)cc1	228067969	PDOQTSNHYNCBNU-KGLIPLIRSA-N	278.396	1.772	10	20	CDCD	
C[C@@H]1OC(C)(C)N[C@H]1C(=O)N[C@H](C)c1ccccc1O	1576900833	XDKPOMFSHCQPMQ-GBIKHYSHSA-N	278.352	1.682	10	20	CDCD	
CN(C)c1ccc(OC[C@@H]2CCOC2)cc1C(=O)O	1598328496	PCUXVMDWPXNTBK-SNVBAGLBSA-N	265.309	1.866	10	20	CDCD	
C[C@@H](O)CCOc1ccc(N(C)C)c(C(=O)O)c1	1593446279	CZUWRYCKBNKIBT-SECBINFHSA-N	253.298	1.601	10	20	CDCD	
C[C@H](NC[C@H]1C[C@@H](O)C1)c1cc(C(=O)O)ccc1O	1593286495	UMSCEIOHSXBQHJ-ATZCPNFKSA-N	265.309	1.512	10	20	CDCD	
C[C@H](NCc1cc2c(cc1O)OCO2)[C@H](O)C(F)(F)F	865712218	YBMXLDKPVOVWLL-KGFZYKRKSA-N	293.241	1.522	10	20	CDCD	
COC(=O)CCN[C@@H](C)c1cc(OC)ccc1O	34961224	XZTGVEIINCWHSR-VIFPVBQESA-N	253.298	1.615	10	20	CDCD	
C[C@H](CNC(=O)Cc1ccc(N)cc1)N1CCCC1	160726949	ROWGVOYOUHVNDU-GFCCVEGCSA-N	261.369	1.412	10	20	CDCD	
CNC(=O)CCCN[C@H](C)c1ccc(F)cc1O	273583439	NDGQBAYTEHBWCJ-SECBINFHSA-N	254.305	1.708	10	20	CDCD	
C[C@H]1C[C@H](CNC(=O)c2cccc(O)c2O)CCO1	279877386	RKMSVPDFOVIYGO-VHSXEESVSA-N	265.309	1.643	10	20	CDCD	
COc1cccc(CN[C@@H]2CCCN(C)C2=O)c1O	704348256	BGTCATXRKNFKPU-LLVKDONJSA-N	264.325	1.111	10	20	CDCD	
CCc1cccc(CN2CCN3C(=O)NC[C@H]3C2)c1O	692093471	VYQRYCJXDOBXJV-ZDUSSCGKSA-N	275.352	1.164	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)C[C@@H]1CCS(=O)(=O)C1	383682500	ZQYAMBLMIUESHP-NSHDSACASA-N	297.376	1.175	10	20	CDCD	
O=C(O)[C@H]1C[C@H](O)CN1Cc1cc(Cl)ccc1O	1601773198	QENIDQOFZZPPMF-VHSXEESVSA-N	271.700	1.065	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)Cn2cccn2)c1	170900867	RQGFIHXUTQOYPW-SNVBAGLBSA-N	275.308	1.475	10	20	CDCD	
COc1ccc(N2CCN([C@H](C)C(=O)N(C)C)CC2)cc1	66863788	MRUIONOATQCYBD-CYBMUJFWSA-N	291.395	1.294	10	20	CDCD	
C[C@H]1CN(CC(C)(C)O)CCN1Cc1cc(F)ccc1O	188746417	OOQIUTCLPQXJMF-LBPRGKRZSA-N	296.386	1.808	10	20	CDCD	
CCC[C@](C)(CO)NCc1cc2c(cc1O)OCO2	123082844	PETGUQPADUQEDD-CQSZACIVSA-N	267.325	1.762	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N2CCC[C@H](O)C2)cc1	31726445	PTLSNTGFSBANBZ-AWEZNQCLSA-N	277.368	1.419	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)C1(O)CCSCC1	121567565	YMBZBFSKEBWPOL-UHFFFAOYSA-N	281.377	1.609	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NCCOCC(F)F	188049482	GWDNXUJGCNLAFL-DUXPYHPUSA-N	287.262	1.509	10	20	CDCD	
COc1cccc(CN[C@@H]2C[C@H](O)C2(C)C)c1O	128095274	YTJODJUYRQFZQA-NEPJUHHUSA-N	251.326	1.650	10	20	CDCD	
CN(C)c1ccc(CNC(=O)C2(O)CCC2)cc1F	134162836	NWTXOKOKQIKQDS-UHFFFAOYSA-N	266.316	1.423	10	20	CDCD	
CC(C)c1ccccc1NC=C1C(=O)NC(=S)NC1=O	48402952	SSERLLRHRLMNSW-UHFFFAOYSA-N	289.360	1.637	10	20	CDCD	
CCN(CC)c1ccc(CNC[C@](C)(O)CN(C)C)cc1	131560167	KZSWHXFOFLASEY-KRWDZBQOSA-N	293.455	1.935	10	20	CDCD	
COc1ccc(-n2c(C)cc(C(=O)NC3CNC3)c2C)cc1	237506353	FCSPLCNQGWLZMZ-UHFFFAOYSA-N	299.374	1.804	10	20	CDCD	
Cc1cccc(CNC[C@@H]2CCCS(=O)(=O)C2)c1O	290570334	TVGBWIKMQLBWOX-LBPRGKRZSA-N	283.393	1.615	10	20	CDCD	
CC(=O)N1CCCN(Cc2ccc(N(C)C)c(F)c2)CC1	271048370	SZFKEXMALOJIHD-UHFFFAOYSA-N	293.386	1.946	10	20	CDCD	
CCN(CCO)CCNCc1ccc(N(CC)CC)cc1	274471134	ZCXHBVLQGHKJBI-UHFFFAOYSA-N	293.455	1.937	10	20	CDCD	
COc1cccc(CNC(=O)NOCCSC)c1O	280505260	LJUUCICGVIBNLT-UHFFFAOYSA-N	286.353	1.495	10	20	CDCD	
CN(CC(C)(C)CO)C(=O)/C=C/c1ccc(O)c(O)c1	296444033	YYCLSLIRJFOMGH-FNORWQNLSA-N	279.336	1.588	10	20	CDCD	
COC(=O)C(=O)CCCOC(=O)c1cc(O)cs1	803346609	VJTMPLOVBBBNAP-UHFFFAOYSA-N	272.278	1.133	10	20	CDCD	
CN1C[C@@H](NCc2ccc3ccccc3c2O)CC1=O	816544423	IDJQQASJBFJFCM-ZDUSSCGKSA-N	270.332	1.866	10	20	CDCD	
COCCNCCN[C@@H](C)c1ccc(N(C)C)cc1	817965060	OOSPXAIPTWOQKF-ZDUSSCGKSA-N	265.401	1.639	10	20	CDCD	
C[C@H](NC[C@@H]1CNCCO1)c1cc(F)cc(F)c1O	817983985	SZBYCHICCTXCLG-WPRPVWTQSA-N	272.295	1.309	10	20	CDCD	
C[C@@H](C(=O)O)N(C)C(=O)/C=C\c1ccc(O)c(O)c1	819888374	BXTZCUPNSYPWMQ-HORMHSFOSA-N	265.265	1.043	10	20	CDCD	
CON(C)C(=O)CCNCCCSc1nccs1	819064234	UUBLXDMFUSKDFK-UHFFFAOYSA-N	289.426	1.625	10	20	CDCD	
COC[C@@]1(CO)CCN(Cc2c(O)cccc2Cl)C1	825158405	KPTGJQZGKLZNSQ-AWEZNQCLSA-N	285.771	1.876	10	20	CDCD	
CCOc1cccc(CN2CCCN(C=O)CC2)c1O	827877418	MZDGMDWDSRZKQG-UHFFFAOYSA-N	278.352	1.455	10	20	CDCD	
COC[C@H](NC/C=C/c1ccc(N(C)C)cc1)C(=O)O	901477125	HBSBXHQBZFPIOW-NNTXTVRGSA-N	278.352	1.455	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)NCCCn1cccn1	588404225	BIZNUNVYTVDJHP-XQRVVYSFSA-N	287.319	1.514	10	20	CDCD	
Cc1cccc(N(CC(=O)O)C(=O)/C=C\c2cccnc2)n1	738720123	LSVAPKZZRJCYKH-FPLPWBNLSA-N	297.314	1.916	10	20	CDCD	
CCN(CC)c1ccc(CN=c2nn[nH]n2C)cc1F	731352178	QQPYGAJIJRZXKH-UHFFFAOYSA-N	278.335	1.229	10	20	CDCD	
OCC1(NCc2ccc3c(c2)CCO3)CCSCC1	839177859	SJBRSYQPEHHEDQ-UHFFFAOYSA-N	279.405	1.969	10	20	CDCD	
CN(C)C(=O)OC1CCN(C(=O)c2cc(O)cs2)CC1	832895009	VYHWEXUNLNPETK-UHFFFAOYSA-N	298.364	1.757	10	20	CDCD	
Oc1cccc2c1[C@H](NC[C@@H](O)COCC1CC1)CC2	834552202	XOVVRHPRTVVZHK-ZIAGYGMSSA-N	277.364	1.757	10	20	CDCD	
O=C(O)CN(Cc1ccccc1O)C(=O)C1[C@H]2CCC[C@H]12	911485206	IAQYATHYNXMJQE-RYUDHWBXSA-N	289.331	1.852	10	20	CDCD	
O=C(NCc1ccc(N2CCCC2)cc1)N[C@H]1CCNC1	841709410	FNHJNHIVORKPDP-AWEZNQCLSA-N	288.395	1.448	10	20	CDCD	
OC[C@H](CCF)NCc1c(O)ccc(Cl)c1F	846097428	IWEDSWBPESEWEO-ZETCQYMHSA-N	265.687	1.995	10	20	CDCD	
N[C@H]1C[C@@H](C(=O)NCc2ccc(N3CCCC3)cc2)C1	844172939	KNUPVDBAFHPQCF-OKILXGFUSA-N	273.380	1.640	10	20	CDCD	
CCOc1ccc(CN2CC[C@H]([C@H](C)N)C2)c(O)c1	843056916	BUEIKXLDMCAQSZ-RYUDHWBXSA-N	264.369	1.960	10	20	CDCD	
CCCNCCNC(=O)NCc1cccc(OC)c1O	841965053	MVVDFBPUPWREPE-UHFFFAOYSA-N	281.356	1.200	10	20	CDCD	
C[C@H](CCN)NC(=O)N(C)Cc1ccccc1O	841967305	MMUBDOFBWULGMF-SNVBAGLBSA-N	251.330	1.271	10	20	CDCD	
NC[C@@H]1CCN(Cc2c(O)ccc(Cl)c2F)C1	843048250	GDZZICFAMIQGNG-QMMMGPOBSA-N	258.724	1.965	10	20	CDCD	
Nc1ccc(Cc2noc([C@H]3CCNC(=O)C3)n2)cc1	843158440	CVTYHGFORMBIEI-JTQLQIEISA-N	272.308	1.236	10	20	CDCD	
CCO/C=C\C(=O)NCc1cccc(OC)c1O	847589893	OYONYZYUNFBPLV-FPLPWBNLSA-N	251.282	1.567	10	20	CDCD	
Oc1cc2c(cc1CNC[C@@H]1CCCNC1)OCO2	841032946	KMGLXFZRDCIAGZ-SNVBAGLBSA-N	264.325	1.210	10	20	CDCD	
CC(C)N(CCN(C)C)C(=O)NCCc1ccc(N)cc1	841958994	JYEYNXKEJRZZOG-UHFFFAOYSA-N	292.427	1.793	10	20	CDCD	
CN(C)CCN(CCN(C)C)C(=O)Nc1ccc(N)cc1	841295601	CLTCLHKWZYIGMM-UHFFFAOYSA-N	293.415	1.226	10	20	CDCD	
CN1CCCC[C@H](CNCc2cc3c(cc2O)OCO3)C1	858245310	PUFMWUYUMMMFAG-GFCCVEGCSA-N	292.379	1.942	10	20	CDCD	
COCCOCCOC(=O)/C=C/c1ccc(O)c(O)c1	759578308	HFDRDGJLCBUBFP-HWKANZROSA-N	282.292	1.317	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@H](C)CC(N)=O)c1	756661278	QGPFXSQPXGCQED-BDAKNGLRSA-N	280.324	1.093	10	20	CDCD	
CC[C@H](NCc1cc(Cl)ccc1O)C(=O)NC	697822385	BSEAFQRMSMQACF-JTQLQIEISA-N	256.733	1.660	10	20	CDCD	
Oc1cc(F)c(Cl)cc1CNCCN1CC[C@@H](O)C1	862531616	IFZUDEOTVPJXME-SNVBAGLBSA-N	288.750	1.341	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)Nc1ncnc2c1ncn2C	762800268	PZAOTDFEHKOJPU-SECBINFHSA-N	299.334	1.818	10	20	CDCD	
O=C(Cn1cncn1)NCc1c(O)ccc2c1CCCC2	769563056	UKYDJJOTSWXEGB-UHFFFAOYSA-N	286.335	1.179	10	20	CDCD	
CC(C)CC[C@H](CO)NC(=O)C(=O)Nc1ccc(N)cc1	861514787	KVTHYHFPXJDOJQ-CYBMUJFWSA-N	293.367	1.121	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@@H]2C[C@H]3CC(=O)[C@@H]2C3)c1	862755332	RKDOOJMEKIDCNN-CYZMBNFOSA-N	273.332	1.932	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)C[C@@H]2COC(=O)C2)c1	767960151	ZMWZCLAUAYVTNB-ZJUUUORDSA-N	293.319	1.531	10	20	CDCD	
C[C@@H]1CCN(CCNC(=O)c2cccc(O)c2O)C1	1347824605	BZDAKRNYGNMCQD-SNVBAGLBSA-N	264.325	1.169	10	20	CDCD	
C[C@@H](NC(=O)N[C@@H]1CCCCNC1=O)c1ccccc1O	864424745	OLFMTSIBQAJEHH-ZYHUDNBSSA-N	291.351	1.421	10	20	CDCD	
CCC[C@@H](O)CC(=O)NCc1cc(C)ccc1O	862757862	GVVYLHIIPBYVEF-GFCCVEGCSA-N	251.326	1.868	10	20	CDCD	
Cc1cccc(N(C)C(=O)c2ccoc2CC(N)=O)n1	1117110756	VJNAAPNOESKNOE-UHFFFAOYSA-N	273.292	1.287	10	20	CDCD	
COc1cc(Cl)cc(CNc2cnn(CCO)c2)c1O	761217414	VCKKVCJRXPAEHJ-UHFFFAOYSA-N	297.742	1.855	10	20	CDCD	
CCOC(=O)[C@@](C)(O)CN[C@H](C)c1ccc(N(C)C)cc1	775835141	RVKLPMRJWGCSQQ-WBMJQRKESA-N	294.395	1.717	10	20	CDCD	
CC[C@H](O)CCCNC(=O)/C=C/c1ccc(O)c(O)c1	779526851	ZCFXICFJJRKVOM-WMADIVHISA-N	279.336	1.778	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)NCCOCC1CC1	779513364	ICHVASRLZKCPIS-XQRVVYSFSA-N	277.320	1.654	10	20	CDCD	
COC(=O)C[C@@]1(NCc2cc(C)ccc2O)CCCOC1	770675608	PAKYLJAIYAZUTM-INIZCTEOSA-N	293.363	1.903	10	20	CDCD	
CC1(C(=O)NCc2ccc(O)c(O)c2)CCOCC1	778917068	UQSXJNJTJSRVAG-UHFFFAOYSA-N	265.309	1.531	10	20	CDCD	
COCC[C@@]1(NCc2ccc3c(c2)CCO3)CCOC1	775032425	IARPIZDHHOPVIB-MRXNPFEDSA-N	277.364	1.907	10	20	CDCD	
C[C@@H](NC[C@@H]1CCS(=O)(=O)C1)c1c(O)cccc1F	886496869	KCIXCXYQHBYXNL-ZJUUUORDSA-N	287.356	1.617	10	20	CDCD	
Oc1c(Cl)cc(Cl)cc1CN[C@H]1C[C@H](O)[C@H](O)C1	886243245	SNMLNCROIQBGHV-UIKWRGBMSA-N	292.162	1.673	10	20	CDCD	
COc1cc(C)cc(CN[C@@H]2CCN(C(C)C)C2=O)c1O	894275880	JRZUJGWCRRGXTH-CYBMUJFWSA-N	292.379	1.808	10	20	CDCD	
Nc1ccc(CCNC(=O)N2CCC(F)CC2)cc1	892039705	XTLQCQBGIILTCM-UHFFFAOYSA-N	265.332	1.955	10	20	CDCD	
COc1cccc(CNc2cc(N(C)C)ncn2)c1O	892288881	YDXMTSBRHYZMOS-UHFFFAOYSA-N	274.324	1.869	10	20	CDCD	
Cc1cc(C)n2ncc(C(=O)NCc3ccccc3O)c2n1	1149590366	WCJMOJQVBALBDL-UHFFFAOYSA-N	296.330	1.982	10	20	CDCD	
CCOc1cccc(CN(C)C[C@H](C)C(=O)NC)c1O	93899056	GTIUKELDIZMDGV-NSHDSACASA-N	280.368	1.605	10	20	CDCD	
Cc1ccc(C(=O)NC[C@H]2CCCCN2C)c(O)c1O	1262652799	QDSOLLCRQZAZEW-LLVKDONJSA-N	278.352	1.620	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1C=CCCC1	1346482193	WYDIRYMFIFVDCF-CYBMUJFWSA-N	288.347	1.576	10	20	CDCD	
CC(=O)N1CC[C@@](C)(C(=O)NCc2ccc(N)cc2)C1	1356226908	DEMXRTBKTJHZPM-OAHLLOKOSA-N	275.352	1.144	10	20	CDCD	
C[C@@H]1OCC[C@H]1C(=O)NCc1cccc(O)c1O	1352657264	BKECMSOSPQRRMN-WCBMZHEXSA-N	251.282	1.139	10	20	CDCD	
CCOc1cccc(CNCCSCCCO)c1O	105643352	HBGGAZATNQFIDB-UHFFFAOYSA-N	285.409	1.996	10	20	CDCD	
O=C(CC1CSC1)NCc1cccc(O)c1O	1520508526	DXDNHKXJHNVHKV-UHFFFAOYSA-N	253.323	1.467	10	20	CDCD	
CCC(CC)(CC(=O)O)NC(=O)Cc1ccc(N)cc1	1604989148	RQFFIQCJDOGGPM-UHFFFAOYSA-N	278.352	1.961	10	20	CDCD	
CNC1CCN(Cc2c(C)cc(OC)cc2O)CC1	1578607336	YVBKOOLZNSJNLM-UHFFFAOYSA-N	264.369	1.893	10	20	CDCD	
CC(C)(CC(=O)O)C(=O)OCC(=O)c1ccc(O)c(O)c1	1590625661	PQNCOEMUFNHHGL-UHFFFAOYSA-N	296.275	1.325	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)Nc1c[nH]nc1C(=O)O	1594674851	LPGIKADSPXQLOH-RQOWECAXSA-N	289.247	1.171	10	20	CDCD	
Cn1nccc1[C@H](NCc1cccc(F)c1O)C(=O)O	1594595722	RQUNNYFPMYAPBX-NSHDSACASA-N	279.271	1.180	10	20	CDCD	
CC(C)[C@@H](CO)N[C@@H](C)c1cc(C(=O)O)ccc1O	1593354619	VBKDVFXVOYNFHY-JOYOIKCWSA-N	267.325	1.758	10	20	CDCD	
CCN1CCc2cc(CNC[C@@H](OC)C(=O)O)ccc21	1776877338	PESWVRRTKLKAMD-CQSZACIVSA-N	278.352	1.258	10	20	CDCD	
C[C@@H]1NC(=S)N(Cc2ccc(N(C)C)cc2)C1=O	15570260	BZWGYQDUZVNKPB-VIFPVBQESA-N	263.366	1.358	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CSCC(=O)O)cc1	157647589	XUSZHPLZHGGDIX-UHFFFAOYSA-N	282.365	1.187	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2csnn2)c1	155939946	FHZLNHUQSIABTG-UHFFFAOYSA-N	265.294	1.182	10	20	CDCD	
Cc1ccc(CN(C)[C@H](C)C[S@](C)=O)c(O)c1	877326282	VRAVKTMQJYERJF-DIFFPNOSSA-N	255.383	1.899	10	20	CDCD	
Oc1ccccc1CN1CCO[C@@H]([C@H]2CCCO2)C1	245594537	IAOCGWJPJLYFRL-HUUCEWRRSA-N	263.337	1.772	10	20	CDCD	
CCCOc1ccc(CNC[C@]2(O)CCOC2)c(O)c1	179028402	IFVNAHBKJOBQHB-OAHLLOKOSA-N	281.352	1.422	10	20	CDCD	
CS[C@H](C)CNCc1cc2c(cc1O)OCO2	128174916	LVSBGMSEPBNFAM-MRVPVSSYSA-N	255.339	1.962	10	20	CDCD	
COc1ccc(O)c([C@@H](C)Nc2ccc3nnnn3n2)c1	301184238	JABRYKUPCSUMMB-MRVPVSSYSA-N	286.295	1.407	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)C[C@H]1COC(=O)C1	121236602	JWZSXXFAUAXQBN-GFCCVEGCSA-N	290.363	1.630	10	20	CDCD	
Cc1cc(NC(=O)CN(C)c2ccc3c(c2)OCO3)no1	121386213	OMDRYJRBIFXPNS-UHFFFAOYSA-N	289.291	1.787	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)[C@H]1CCCS1	156631859	YPYQXIXRRJEIOP-GFCCVEGCSA-N	267.350	1.652	10	20	CDCD	
O=C(NC1CCSCC1)c1cccc(O)c1O	126558568	OXYALFINRAOIKJ-UHFFFAOYSA-N	253.323	1.723	10	20	CDCD	
C[C@@H](N[C@@H]1CCCCNC1=O)c1ccc(F)c(F)c1O	191198273	JMBXHSXEBFYKIB-LDYMZIIASA-N	284.306	1.990	10	20	CDCD	
CCn1cc(S(=O)(=O)Nc2ccc(O)c(C)c2)cn1	136493441	DUWLUCUCFLGXAV-UHFFFAOYSA-N	281.337	1.718	10	20	CDCD	
COCCOCCSc1ncc(C(=O)OC)s1	295436585	ZPUFNCULVCBDRR-UHFFFAOYSA-N	277.367	1.685	10	20	CDCD	
CC(C)n1ccc(C(=O)NCc2ccc(N)cc2)n1	297134121	HOJDDGZQNUAZOA-UHFFFAOYSA-N	258.325	1.976	10	20	CDCD	
C[C@H](O)CCN[C@H](C)c1ccc(N2CCOCC2)cc1	268927949	YMVGKXZCCCIQHO-UONOGXRCSA-N	278.396	1.945	10	20	CDCD	
CN(C)c1ccc(CNC(=O)C(C)(C)S(C)(=O)=O)cc1	264857511	DTFVJKKOJUXUMA-UHFFFAOYSA-N	298.408	1.192	10	20	CDCD	
COC[C@@]1(C(=O)OC)CCN(Cc2ccccc2O)C1	294994398	HVDPHFYSYJEIGF-OAHLLOKOSA-N	279.336	1.404	10	20	CDCD	
CC[C@@H]1CN(C(=O)c2cc(O)cs2)C[C@@H](C)[S@@]1=O	807687834	CUMBEQWXRSQZBJ-BNNCRPASSA-N	287.406	1.825	10	20	CDCD	
CO[C@@H](CNC(=O)NCc1ccc(N(C)C)cc1)C1CC1	296640126	RWQYYHNAHYVGHS-HNNXBMFYSA-N	291.395	1.977	10	20	CDCD	
COC(=O)c1cnc(SCc2nccn2C)s1	295162585	HDICHERXBJKURM-UHFFFAOYSA-N	269.351	1.956	10	20	CDCD	
CCCCN(Cc1ccccc1O)Cc1nnnn1C	801596973	VWNKKHXZEVAMCP-UHFFFAOYSA-N	275.356	1.718	10	20	CDCD	
CN1CC[C@@H](NCc2cc(Cl)c(F)cc2O)C1	816548825	UMELMSHVPSCHSQ-SECBINFHSA-N	258.724	1.978	10	20	CDCD	
CN1CCC(CCNC(=O)NCc2ccccc2O)CC1	728748672	WHNBGTUGENVMQQ-UHFFFAOYSA-N	291.395	1.923	10	20	CDCD	
CN(C)C(=O)N[C@@H]1CCCN(Cc2cc(F)ccc2O)C1	825279081	NTSBPGVZTOMXJJ-CYBMUJFWSA-N	295.358	1.767	10	20	CDCD	
C/C(=C\COC(=O)c1ccc(C)c(O)c1O)C(=O)O	825775600	WARZAMNNAASKKZ-VMPITWQZSA-N	266.249	1.594	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNCCC2(CO)CC2)c1O	825039922	BONKKGOLRZRHQO-UHFFFAOYSA-N	296.323	1.561	10	20	CDCD	
C[C@H]1C[C@@H](NC(=O)N(C)Cc2ccccc2O)CO1	828419573	FPRBBZPVKDDRIO-CMPLNLGQSA-N	264.325	1.711	10	20	CDCD	
C[C@H](NC(=O)[C@H]1C[C@@H](O)C1)c1ccc(N(C)C)cc1	822082825	PQAVFNUMNAYMSV-VHRBIJSZSA-N	262.353	1.701	10	20	CDCD	
COc1cccc(CNC(=O)N[C@H](C)C[C@@H](C)N)c1O	831212893	XVUCLDGRKXQTHB-NXEZZACHSA-N	281.356	1.326	10	20	CDCD	
CC(C)N1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1	588404346	LUQKBIZMDFLUDH-XQRVVYSFSA-N	290.363	1.664	10	20	CDCD	
CN(C)c1ccc(CN2CC[C@@](F)(C(=O)O)C2)cc1	901518313	XEVQXPAVGRMPBY-AWEZNQCLSA-N	266.316	1.751	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1CCO[C@@H](C(=O)O)C1	901491546	UEQZDVGRCWZGSF-CQSZACIVSA-N	278.352	1.346	10	20	CDCD	
CN1CCC[C@@H](CNC(=O)/C=C\c2ccc(O)c(O)c2)C1	588405199	XVSWKNUODROATJ-VGVVRCBHSA-N	290.363	1.569	10	20	CDCD	
CN(CCn1cccn1)C(=O)/C=C\c1ccc(O)c(O)c1	588406474	DUINPWHXMWOEPG-XQRVVYSFSA-N	287.319	1.466	10	20	CDCD	
CCOC(=O)CC(=O)NCCCSc1nccs1	733974595	XCWLMNGXIQYJNG-UHFFFAOYSA-N	288.394	1.695	10	20	CDCD	
Cc1ccc(O)c(CNC2(CC(=O)O)CCOCC2)c1	832953496	UTIQYXUMEWVXDW-UHFFFAOYSA-N	279.336	1.814	10	20	CDCD	
O=C(N[C@H]1CCc2ncsc2C1)c1cccc(O)c1O	910842241	SZYZAWTWHSZCBA-QMMMGPOBSA-N	290.344	1.842	10	20	CDCD	
Cc1nnccc1C(=O)N1CCOc2cc(N(C)C)ccc21	677060757	XSEXXOZQUMHGTH-UHFFFAOYSA-N	298.346	1.890	10	20	CDCD	
CC(C)(O)CC(=O)NCc1cc(Cl)ccc1O	846472918	GRROJKHNMPTQAR-UHFFFAOYSA-N	257.717	1.823	10	20	CDCD	
C[C@H]1C[C@H](NC(=O)NCCc2ccc(N)cc2)CCN1C	841835987	JMTSBUUWCWVOEE-SWLSCSKDSA-N	290.411	1.593	10	20	CDCD	
CCOc1cccc(CN2[C@@H](C)CNC[C@H]2C)c1O	843065565	NQKVEHWQVGDUQN-TXEJJXNPSA-N	264.369	1.973	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2CC[C@@H](N)[C@@H](C)C2)c1O	843052044	PAGJPOKFCZGIDL-GXSJLCMTSA-N	295.339	1.478	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@H](CO)CCF)c1O	846099010	WQIUBOWVUGVJPU-VIFPVBQESA-N	288.275	1.119	10	20	CDCD	
CON(C)C(=O)[C@H](C)N[C@@H](C)c1ccc(C)cc1O	858580643	SOZXKBWPIJJNEE-QWRGUYRKSA-N	266.341	1.760	10	20	CDCD	
CN(C)c1cc(F)c(CN2C[C@H]3C[C@H]2C(=O)O3)cc1F	862385576	WPYFVIKRMIGWDV-RNCFNFMXSA-N	282.290	1.531	10	20	CDCD	
C[C@@H](NS(=O)(=O)CC[C@@H]1CCOC1)c1ccccc1O	867834712	KSMGVOGFCMBDGN-NEPJUHHUSA-N	299.392	1.799	10	20	CDCD	
COC(=O)[C@]1(C)CCN(C(=O)c2cc(O)cs2)C1	760152909	YZNBKBGOLWWLOX-GFCCVEGCSA-N	269.322	1.479	10	20	CDCD	
CCOc1ccc(CN2CCO[C@H](C(=O)OC)C2)c(O)c1	769333965	WGZPPEBNNXBVLV-AWEZNQCLSA-N	295.335	1.165	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)C(=O)NC[C@H]1C=CCC1	1119569911	CBXCQWHRFDVIEF-LBPRGKRZSA-N	288.347	1.433	10	20	CDCD	
Cc1nc([C@H](C)NC(=O)c2ccc(C)c(O)c2O)no1	1116516871	HXHOJSPDQIVKNM-ZETCQYMHSA-N	277.280	1.589	10	20	CDCD	
Cc1ccc(CN2CC[C@@H](CN3CCOCC3)C2)c(O)c1	876767121	BLUWTEKKJZWNAA-HNNXBMFYSA-N	290.407	1.855	10	20	CDCD	
CO[C@@H](C(=O)NCc1ccc(O)c(O)c1)C(C)C	771416062	DBUSMFFOJAGXEP-GFCCVEGCSA-N	253.298	1.385	10	20	CDCD	
CN(CCS(N)(=O)=O)Cc1c(O)ccc2ccccc12	872822881	MHHCYVFZLNXAIP-UHFFFAOYSA-N	294.376	1.266	10	20	CDCD	
CN1CCCC[C@@H]1C(=O)NCc1ccc(O)c(O)c1	778923712	QVGWIVVNSHOADZ-LLVKDONJSA-N	264.325	1.198	10	20	CDCD	
CNC(=O)C1(NCc2cc(F)ccc2O)CCCC1	779176636	OHCALLKWKUSQGH-UHFFFAOYSA-N	266.316	1.680	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CNCC2(C)C)c1	884310348	VRAOENWPGFRPRX-ZWNOBZJWSA-N	292.379	1.824	10	20	CDCD	
C[C@@H]1COCCN1Cc1ccc(N2CCN(C)CC2)cc1	775183414	XBFVYRQPKBBPSG-OAHLLOKOSA-N	289.423	1.659	10	20	CDCD	
Nc1ccc(NC(=O)COC[C@@H]2CCCO2)cc1	19272391	JFZDWFZSCMLXBW-LBPRGKRZSA-N	250.298	1.403	10	20	CDCD	
CCOc1ccc(CN2C[C@@H](C)O[C@@H](CO)C2)c(O)c1	787418494	WRTLIJABINALSZ-BXUZGUMPSA-N	281.352	1.373	10	20	CDCD	
CCOc1ccc(CN[C@H](C)c2ncn(C)n2)c(O)c1	780566306	QZOHSKCCEHDEIJ-SNVBAGLBSA-N	276.340	1.770	10	20	CDCD	
COc1ccc(CN[C@@H](CO)CC(F)F)c(O)c1OC	894037104	WIVRQOIAIDGYLU-SECBINFHSA-N	291.294	1.515	10	20	CDCD	
COc1cccc(O)c1CNC[C@@H]1CC(C)=NO1	895310472	HVPXHEOZQPMXQW-JTQLQIEISA-N	250.298	1.655	10	20	CDCD	
COc1cc(C)cc(CNCCCN(C)C)c1O	894146656	UZZCYTSNMKVXJC-UHFFFAOYSA-N	252.358	1.751	10	20	CDCD	
COc1ccc(O)c(CN2CC[C@H](CCN)C2)c1	723690187	NLVXHPAJIHYJQF-NSHDSACASA-N	250.342	1.572	10	20	CDCD	
CC[C@H](N[C@@H](C)CC(N)=O)c1ccc(F)cc1O	796798203	OZAJLJJFHDXLMW-KWQFWETISA-N	254.305	1.836	10	20	CDCD	
CN(C)c1ccc(CNCC(C)(C)NS(C)(=O)=O)cc1	67005631	FRBLKYOGAFDGSE-UHFFFAOYSA-N	299.440	1.170	10	20	CDCD	
C[C@@H](N[C@H]1CCCCNC1=O)c1cc(F)ccc1O	94617264	NPTJOIUWQJREFA-SKDRFNHKSA-N	266.316	1.851	10	20	CDCD	
COCCCOCCN(C)C(=O)NCc1ccc(N)cc1	1338794120	YKVZSQQPLMZGQN-UHFFFAOYSA-N	295.383	1.463	10	20	CDCD	
O=C(O)[C@@H]1CCN(Cc2ccc(Cl)cc2O)C1	1594933714	JDACSOHWNOXNPK-SECBINFHSA-N	255.701	1.952	10	20	CDCD	
CC(C)(C)c1nnc(Sc2nccs2)n1N	1262360851	SQUGTWKKBUHIGB-UHFFFAOYSA-N	255.372	1.897	10	20	CDCD	
CCOC(=O)[C@H](NCc1ccc(N)cc1)[C@H]1CCCOC1	1345159181	CXNPYMRTTGPWJR-DZGCQCFKSA-N	292.379	1.717	10	20	CDCD	
O=C(NCc1cccc(O)c1O)C12CCCN(CCC1)C2	1263896304	VLBWNKGOMXHJKN-UHFFFAOYSA-N	290.363	1.590	10	20	CDCD	
Cc1cc(C(=O)NCc2cc(O)ccc2O)oc1C(=O)O	1600094290	WIJGCXNNARCOBI-UHFFFAOYSA-N	291.259	1.627	10	20	CDCD	
CN(C(=O)c1cc(O)cs1)[C@H](COC1CCC1)C(=O)O	1605980326	UQBFUOPXKFMWIV-SNVBAGLBSA-N	299.348	1.548	10	20	CDCD	
CCO[C@@H]1CCC[C@H]1NC(=O)Cc1ccc(N)cc1	1578151313	BQSZLJMGQHPEGE-ZIAGYGMSSA-N	262.353	1.885	10	20	CDCD	
CNC[C@H]1CCCCN1C(=O)c1cc(O)cs1	1578738087	YPWVZNQCBOLAOX-SECBINFHSA-N	254.355	1.668	10	20	CDCD	
CC(C)N(CC(N)=O)Cc1ccc(N2CCOCC2)cc1	161667894	FKUWOXDZLFBHHX-UHFFFAOYSA-N	291.395	1.219	10	20	CDCD	
CC(C)CC(=O)NCCC(=O)Nc1ccc(N)cc1	160337975	LDYJNSMDRTURBV-UHFFFAOYSA-N	263.341	1.760	10	20	CDCD	
COC1(CC(=O)NCCc2ccc(N)cc2)CCC1	234596706	GZVQPSFCOMQLTQ-UHFFFAOYSA-N	262.353	1.887	10	20	CDCD	
Nc1ccc(CC(=O)N2CCOC[C@H]2C2CC2)cc1	831469651	APRNGIWTYQWUHA-AWEZNQCLSA-N	260.337	1.449	10	20	CDCD	
Nc1ccc(CNC(=O)N[C@H]2CCSC2)cc1	1120608593	RJGKEHUVJXOONP-NSHDSACASA-N	251.355	1.574	10	20	CDCD	
O=C(NCc1ccccc1O)N[C@H]1C[C@H](C(=O)O)C1	874425560	FTRODTCVTJJCCU-MGCOHNPYSA-N	264.281	1.055	10	20	CDCD	
Cc1[nH]ncc1CCCNC(=O)Cc1ccc(N)cc1	50182298	DVILTUSUVOKWNX-UHFFFAOYSA-N	272.352	1.592	10	20	CDCD	
CC[C@H](C)[C@H](CNC(=O)c1cccc(O)c1O)OC	294239942	PCXSXRBGGTUSQF-CABZTGNLSA-N	267.325	1.889	10	20	CDCD	
Cc1cccc(CNC[C@H]2CCCCS2(=O)=O)c1O	694514334	GUFOFJXKSKBJGF-CYBMUJFWSA-N	283.393	1.758	10	20	CDCD	
CC(C)C[C@@H](N)C(=O)N(C)Cc1ccccc1O	37823766	KPYTUCQDPMCVGC-GFCCVEGCSA-N	250.342	1.724	10	20	CDCD	
Cc1ccc(O)c(CN2CCN(c3cnn(C)c3)CC2)c1	126116750	JXDSCLJLVXBCDO-UHFFFAOYSA-N	286.379	1.756	10	20	CDCD	
COCCN(C)CCCNC(=O)c1ccc(C)c(O)c1O	181962892	RNDKJHLPUUHDHP-UHFFFAOYSA-N	296.367	1.104	10	20	CDCD	
COc1cccc(CN[C@H]2C[C@@H](O)C2(C)C)c1O	128095947	YTJODJUYRQFZQA-NWDGAFQWSA-N	251.326	1.650	10	20	CDCD	
CC(C)(CCS(C)(=O)=O)NCc1cc(F)ccc1O	180819711	AHECQWPLBMZLSS-UHFFFAOYSA-N	289.372	1.834	10	20	CDCD	
CCN1CCCN(Cc2cccc(OC)c2O)CC1=O	191544123	CINCJABMJMYJAC-UHFFFAOYSA-N	278.352	1.455	10	20	CDCD	
Cc1cccc(CNCCS(=O)(=O)C(C)C)c1O	290200995	PPNIPKXEMSIORY-UHFFFAOYSA-N	271.382	1.613	10	20	CDCD	
COc1cccc(CN[C@H]2CCS(=O)(=O)[C@H]2C)c1O	293921504	MQOHUJAJEHBZQW-ONGXEEELSA-N	285.365	1.066	10	20	CDCD	
COCCn1ccc(C(=O)NCc2ccccc2O)n1	275779273	AINOUVJXDHOMCJ-UHFFFAOYSA-N	275.308	1.165	10	20	CDCD	
Cc1ccc(C(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)c(O)c1O	272914734	DNEFWWWWXSZIFO-AAEUAGOBSA-N	290.363	1.572	10	20	CDCD	
CC[C@H](C(=O)NCc1ccc(N(C)C)cc1)C(=O)OC	276625691	LLJWDAXVYXSSAW-CYBMUJFWSA-N	278.352	1.568	10	20	CDCD	
CC(C)[C@@H](O)C(=O)NCc1ccc(N2CCOCC2)cc1	285238071	YMTXHPQCWIHWAJ-OAHLLOKOSA-N	292.379	1.156	10	20	CDCD	
CNC(=O)[C@@]1(C)CCN(C(=O)c2ccc(C)c(O)c2O)C1	281853997	QHPVEAKBFCAIPA-HNNXBMFYSA-N	292.335	1.004	10	20	CDCD	
COc1cccc(CN2C[C@H](C)O[C@]3(CCOC3)C2)c1O	280310937	PRHCBDQMZGVPFE-BLLLJJGKSA-N	293.363	1.781	10	20	CDCD	
CC(=O)C(=O)COC(=O)C12CC3CC(CC(C3)C1)C2	808487587	CZSILSIBDPBRGD-UHFFFAOYSA-N	264.321	1.904	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1ccnc(CN)c1	388568808	CCIIRYUEWVSFGR-UHFFFAOYSA-N	298.390	1.879	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@H]2CCC[C@@H]2CN)cc1F	294027918	HLMWQQUTPVDAOT-CHWSQXEVSA-N	293.386	1.883	10	20	CDCD	
COC(=O)Cn1ncc(NC(=O)c2cc(O)cs2)c1C	802600457	OOADALXJRTXPEZ-UHFFFAOYSA-N	295.320	1.384	10	20	CDCD	
COc1cccc(CN2CC[C@@](F)(CO)C2)c1O	802660238	FVMLIHNDWUPOMK-ZDUSSCGKSA-N	255.289	1.307	10	20	CDCD	
COc1ccccc1NC[C@@H](O)COC1CCOCC1	819394212	SSPTVOVKBDHXAG-GFCCVEGCSA-N	281.352	1.664	10	20	CDCD	
COCCN(CC(=O)O)Cc1cc(Cl)cc(C)c1O	820723550	RHDXFJWDPAXRPP-UHFFFAOYSA-N	287.743	1.887	10	20	CDCD	
NCc1ccc2c(c1)CCCN2C[C@@H](N)CC(F)F	903874162	ULAFFBLNISXJJD-LBPRGKRZSA-N	269.339	1.880	10	20	CDCD	
CC[C@H](O)[C@@H](C)C(=O)N(C)Cc1ccccc1O	901053778	RTTLCRKACYFMAI-PWSUYJOCSA-N	251.326	1.758	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N[C@]2(C)CCNC2)cc1F	831018895	TXODZZMUUZGZKY-OAHLLOKOSA-N	294.374	1.443	10	20	CDCD	
CN(C)c1ccc(CNC[C@@H]2CCCNC2=O)cc1F	839196124	RJHNVIBNBNWLLA-LBPRGKRZSA-N	279.359	1.508	10	20	CDCD	
C[C@H](NC(=O)N[C@]1(C)CCNC1)c1ccc(N(C)C)cc1	831073476	UUWVZDINWMIHJV-BLLLJJGKSA-N	290.411	1.865	10	20	CDCD	
COc1ccc(N2CC[C@H](CNC(=O)CCCN)C2)cc1	831749138	ZKFGMBUBBWNBFT-CYBMUJFWSA-N	291.395	1.377	10	20	CDCD	
CCOC(=O)COC(=O)c1ccc(C)c(O)c1O	744910554	RYHNFPBUSQPJAN-UHFFFAOYSA-N	254.238	1.126	10	20	CDCD	
C[C@@H]1CNCCN1Cc1cc(Cl)cc(F)c1O	843047434	LREJLFUOLQLFDR-MRVPVSSYSA-N	258.724	1.978	10	20	CDCD	
C[C@@H]1O[C@H](C)[C@@H](C(=O)NCc2ccc(O)cc2O)[C@@H]1C	910954904	AJXZDJQTQJVOMD-PUXPGTEJSA-N	279.336	1.774	10	20	CDCD	
CC(C)[C@H](N)CNC(=O)NCc1ccc(N(C)C)c(F)c1	841759517	HCGXFYAFZAKVRR-CYBMUJFWSA-N	296.390	1.674	10	20	CDCD	
COC[C@@H](CO)N[C@H](C)c1cccc(OC)c1O	846166835	DIHHJBMLRUPDBU-NXEZZACHSA-N	255.314	1.059	10	20	CDCD	
Cn1cnc(NCCCSc2nccs2)cc1=O	848665370	VLZKXURQKPPUMI-UHFFFAOYSA-N	282.394	1.831	10	20	CDCD	
Nc1ccc(CCNC(=O)N2CCSCC2)cc1	841961724	GTSOHSQOQPWCFM-UHFFFAOYSA-N	265.382	1.570	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNC[C@H](N)C2CC2)c1O	841052011	YCHDHKFHQRXAJN-JTQLQIEISA-N	281.312	1.136	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)C(=O)C1CCSCC1	840923067	DYDFXVMCTIBLDN-UHFFFAOYSA-N	295.360	1.426	10	20	CDCD	
COC[C@H](OC)c1nc(Cc2ccc(N)cc2)no1	854133725	HZVRLCLTJNQSID-NSHDSACASA-N	263.297	1.577	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)OC[C@@H]1COC(=O)O1	759588323	KOSOXSHQSRVPJL-FIFYQCSRSA-N	280.232	1.190	10	20	CDCD	
Oc1ccc(Cl)c(F)c1CNCCN1CC[C@H](O)C1	858340365	DQQDDGRDZUEQQJ-VIFPVBQESA-N	288.750	1.341	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)[C@@]2(N)CC2(F)F)cc1	867959155	QIUDELHKIYDSKT-AWEZNQCLSA-N	297.349	1.886	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)N=c1ncnc2[nH][nH]cc1-2	762800485	QPASUSMRSAJSLI-QMMMGPOBSA-N	285.307	1.181	10	20	CDCD	
CCn1nc(C(=O)NCc2cc(C)ccc2O)ccc1=O	862759340	BRSUAQSJJZQAPF-UHFFFAOYSA-N	287.319	1.207	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CCC[C@H]2C(N)=O)c1O	50133232	KAJMDIOVRKDAGP-LBPRGKRZSA-N	280.299	1.184	10	20	CDCD	
O=C(NCc1cccc(Br)c1O)c1nc[nH]n1	765764443	KDWIFTYEVFURRB-UHFFFAOYSA-N	297.112	1.203	10	20	CDCD	
O=C(c1c(F)ccc(O)c1O)N1CCCN2CCC[C@H]2C1	1117787848	UVVRLVCGDLUJSR-JTQLQIEISA-N	294.326	1.547	10	20	CDCD	
CC[C@@]1(O)CCCN(Cc2cc3c(cc2O)OCO3)C1	877692773	SODCGKAJRXDYBN-OAHLLOKOSA-N	279.336	1.858	10	20	CDCD	
Cc1ccc(CN2CC(=O)N[C@@H]3CCCC[C@@H]32)c(O)c1	876652574	PYNGGXNCEIUKNV-KGLIPLIRSA-N	274.364	1.944	10	20	CDCD	
COC(=O)[C@@H]1C[C@@H](OC)CCN1Cc1ccc(C)cc1O	877165844	ROWLXCLNPJEOMP-KBPBESRZSA-N	293.363	1.853	10	20	CDCD	
Cc1ccc(CN2CCN([C@@H]3CCC[C@H]3O)CC2)c(O)c1	876686945	CDAGDVGROJKUER-HZPDHXFCSA-N	290.407	1.732	10	20	CDCD	
C[C@H](NCc1nnnn1C1CC1)c1c(O)cccc1F	886549781	NJZJVKAKXCEGJO-QMMMGPOBSA-N	277.303	1.704	10	20	CDCD	
C[C@H](N[C@H]1CCCCNC1=O)c1c(O)cccc1F	886501403	JEXXTRBKQVSIFZ-ONGXEEELSA-N	266.316	1.851	10	20	CDCD	
C[C@@H](NCC1(CO)CCOCC1)c1c(O)cccc1F	886553757	VBEPPBFENXGWMP-LLVKDONJSA-N	283.343	1.971	10	20	CDCD	
COCC(C)(C)C(=O)OCC(=O)c1ccc(O)c(O)c1	784365743	HKPKUPHVEYHKNO-UHFFFAOYSA-N	282.292	1.496	10	20	CDCD	
O=C(NC[C@H](O)c1ccsc1)c1c(F)ccc(O)c1O	789994801	CZYJCXDMCWBTKF-JTQLQIEISA-N	297.307	1.762	10	20	CDCD	
COc1ccc(CNCC2CCOCC2)c(O)c1OC	892811760	SFQDMKREBJUZQX-UHFFFAOYSA-N	281.352	1.926	10	20	CDCD	
CCNC(=S)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	899724015	ISQLSPBDNPBFEY-CQSZACIVSA-N	294.468	1.839	10	20	CDCD	
COc1ccc(CN[C@H]2CCCS(=O)(=O)C2)cc1C	69142124	QJEZZVQAUQFGAD-ZDUSSCGKSA-N	283.393	1.670	10	20	CDCD	
COc1ccc(CNC(=O)NCCOC(C)C)c(O)c1	793049790	YPPNWCSVIBHYQC-UHFFFAOYSA-N	282.340	1.625	10	20	CDCD	
CCO[C@H](CC)C(=O)NCc1ccc(OC)cc1O	794387377	FORUOEZIIAYFHX-CYBMUJFWSA-N	267.325	1.832	10	20	CDCD	
C[S@](=O)C1(CNC(=O)/C=C/c2ccc(O)c(O)c2)CC1	799775661	HYRWRSWAWNUAEE-GECPCNCSSA-N	295.360	1.138	10	20	CDCD	
CN(CCCN[C@H]1CCc2cccc(O)c21)S(C)(=O)=O	692466503	LJDNWRRQMYAZMP-LBPRGKRZSA-N	298.408	1.251	10	20	CDCD	
COc1cc(O)c(CN2CCN(C)C(C)(C)C2)cc1OC	1236752907	XKXIMTWVRSGOHB-UHFFFAOYSA-N	294.395	1.935	10	20	CDCD	
CN(Cc1ccccc1O)c1cncc(C(=O)O)n1	1610125172	JKYIPVLEQVYJHI-UHFFFAOYSA-N	259.265	1.517	10	20	CDCD	
CCCNC(=O)[C@H](C)NC(=O)c1ccc(C)c(O)c1O	1336158989	XBWBDMAKVPLMDZ-VIFPVBQESA-N	280.324	1.051	10	20	CDCD	
NC[C@H]1CCCC[C@@H]1NC(=O)NCc1ccc(N)cc1	1357465173	ZZPORZJZKLQZMJ-OCCSQVGLSA-N	276.384	1.586	10	20	CDCD	
Nc1ccc(CNC(=O)N[C@@H]2CCCC[C@H]2O)cc1	1357792012	RDBAXOUWFOTFLM-CHWSQXEVSA-N	263.341	1.372	10	20	CDCD	
C[C@@H]1C[C@@H](NCc2cc3c(cc2O)OCO3)CCO1	219923261	PYVVNMCYZYWACT-KOLCDFICSA-N	265.309	1.778	10	20	CDCD	
CC(C)[C@H](C(=O)NCc1ccc(N)cc1)N1CCCC1=O	1524018848	NXAJYVRPIDODQD-OAHLLOKOSA-N	289.379	1.532	10	20	CDCD	
C[C@@H](CC(=O)O)NC(=O)NCc1cc(Cl)ccc1O	1603126992	SWJFIAHPXQNWSQ-ZETCQYMHSA-N	286.715	1.708	10	20	CDCD	
CCN(CC(=O)NC)Cc1cc(Cl)cc(OC)c1O	228605524	CUSUEIWZCDUBFI-UHFFFAOYSA-N	286.759	1.622	10	20	CDCD	
C[C@H]1OCC[C@]1(C)NC(=O)c1cccc(O)c1O	229417770	OEFQDXOEUTVGBP-OQPBUACISA-N	251.282	1.395	10	20	CDCD	
C[C@@]1(N)CCCC[C@H]1C(=O)NCc1cccc(O)c1O	1576532112	ZFPIQGHZJDYADW-XHDPSFHLSA-N	278.352	1.622	10	20	CDCD	
COc1cc(C)cc(CN2CCC[C@@H]2C(=O)O)c1O	1594054477	MOGTYBXAQZNGJQ-LLVKDONJSA-N	265.309	1.758	10	20	CDCD	
C[C@@H](NCC1(CCO)CC1)c1cc(C(=O)O)ccc1O	1593248749	LQFDXNDZOOQZGI-SNVBAGLBSA-N	279.336	1.904	10	20	CDCD	
CCc1cccc(CN(CCOC)CC(=O)O)c1O	1593642521	RLPGHALJQCWIIA-UHFFFAOYSA-N	267.325	1.488	10	20	CDCD	
CC[C@@H](NCc1ccc(N2CC[C@@H](O)C2)cc1)C(=O)O	1776721901	WBDSJNLWXOXZGZ-ZIAGYGMSSA-N	278.352	1.210	10	20	CDCD	
CSCC[C@@H](N)C(=O)NCc1ccc(N(C)C)c(F)c1	166462416	UPOAUVRIHDGFCE-GFCCVEGCSA-N	299.415	1.588	10	20	CDCD	
COc1cccc(O)c1CN1CC[C@@H](CCN)C1	904406379	RNGNGRYNPZCZOY-LLVKDONJSA-N	250.342	1.572	10	20	CDCD	
CC[C@H]1CO[C@@H](C)CN1C(=O)c1cccc(O)c1O	126284279	KAMSWSGQRUHKMZ-UWVGGRQHSA-N	265.309	1.737	10	20	CDCD	
Nc1ccc(NC(=O)[C@@H]2CCc3nccn3C2)cc1	848393222	VNZYESIXNBHPEP-SNVBAGLBSA-N	256.309	1.666	10	20	CDCD	
COc1cccc(CN2CC[C@](C)(C(N)=O)C2)c1O	234980256	LLDCHIQAKPPJHH-AWEZNQCLSA-N	264.325	1.098	10	20	CDCD	
C[C@H](NCC1(O)CCN(C)CC1)c1ccccc1O	272841998	JUPHFHAMVWEFBU-LBPRGKRZSA-N	264.369	1.500	10	20	CDCD	
CCOC[C@@H]1CN(C(=O)Nc2ccc(N)cc2)CCO1	705814247	LCQFTIWBVAQYNX-ZDUSSCGKSA-N	279.340	1.538	10	20	CDCD	
CC(=O)[C@@H]1CCCCN1C(=O)c1cccc(O)c1O	854732040	PGQRKXHOLZELEB-NSHDSACASA-N	263.293	1.682	10	20	CDCD	
CCOCCCNC(=O)[C@H](C)N(C)Cc1ccccc1O	109772287	TYXUVNCFGBRQEJ-ZDUSSCGKSA-N	294.395	1.755	10	20	CDCD	
CCOC(=O)N(C)CCCC(=O)NCc1ccc(N)cc1	1342020317	IYWFXAHZLIRPDJ-UHFFFAOYSA-N	293.367	1.754	10	20	CDCD	
CCN(CC)S(=O)(=O)NCc1cc(OC)ccc1O	119847795	FAMFEBIHNZGQQF-UHFFFAOYSA-N	288.369	1.077	10	20	CDCD	
C[C@H](NC[C@@H](C)O)c1ccc(N2CCOCC2)cc1	179582530	GXVMXWIGUWVDHE-OLZOCXBDSA-N	264.369	1.555	10	20	CDCD	
C[C@H](N)C1CCN(C(=O)NCc2ccc(N)cc2)CC1	1262603732	SWIRIQQNZOFQAP-NSHDSACASA-N	276.384	1.538	10	20	CDCD	
CC(C)[C@H](C(=O)NCCc1ccc(O)c(O)c1)N(C)C	122635524	DOISTRDRCDBXMR-CQSZACIVSA-N	280.368	1.343	10	20	CDCD	
C[C@@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)C[C@@H]1C	72872242	QWMXOJBFSPVVHO-OKILXGFUSA-N	289.423	1.957	10	20	CDCD	
O=[N+]([O-])c1ccc(O)c(CNCC(F)(F)CO)c1	183865622	CAIZIKACAMUYPS-UHFFFAOYSA-N	262.212	1.018	10	20	CDCD	
CN(C(=O)CNC(=O)N1CCCC1)c1ccc(N)cc1	1344367974	FKNFBFJADOLCAB-UHFFFAOYSA-N	276.340	1.037	10	20	CDCD	
COC[C@@H](C)N(C)Cc1ccc(N2CCOCC2)cc1	133719581	RPFJPRYPGOACQI-CQSZACIVSA-N	278.396	1.990	10	20	CDCD	
COC[C@H](NC(=O)Cc1ccc(N)cc1)C(C)C	86681976	JIHNKICDZDZVLP-ZDUSSCGKSA-N	250.342	1.599	10	20	CDCD	
OC[C@H](C[C@H](O)c1ccccc1)NCc1ccccc1O	269892506	CQYRFCGLUQMLLN-RDJZCZTQSA-N	287.359	1.966	10	20	CDCD	
Cc1nc(=NCc2c(C)c3ccccc3n2C)n(C)[nH]1	352526861	SQTWOHHHUVHHSP-UHFFFAOYSA-N	269.352	1.958	10	20	CDCD	
CCN(CCN1CCOCC1)c1ccc(OC)cc1	264694213	IFMODOJKEBAYHD-UHFFFAOYSA-N	264.369	1.854	10	20	CDCD	
CCOC(=O)[C@@H](C)[C@@H](C)NC(=O)c1ccc(C)c(O)c1O	273585717	ZSIXPPZJODRUQV-VHSXEESVSA-N	295.335	1.724	10	20	CDCD	
C[C@]1(O)CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1	272589147	FTILLPRIWDGXAE-KQIUPUNMSA-N	263.293	1.094	10	20	CDCD	
COc1cc(O)c(CN(CCO)C2CCC2)cc1OC	276082831	UZSFRNOULWSEDT-UHFFFAOYSA-N	281.352	1.756	10	20	CDCD	
Cc1cccc(CN(C)[C@H](CO)COC(C)C)c1O	809768379	JBVBWVNWXRXLKI-CQSZACIVSA-N	267.369	1.918	10	20	CDCD	
c1cnc(NCc2ccc(N3CCOCC3)cc2)cn1	299080019	RVINZZSJGGRALU-UHFFFAOYSA-N	270.336	1.925	10	20	CDCD	
CC(C)(C)C[C@@H](O)CNC(=O)c1c(F)ccc(O)c1O	295763146	HXXQTYSRTQMPKC-MRVPVSSYSA-N	285.315	1.764	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)CCC(C)=O	808095849	VTFOJYCESVOZJI-UHFFFAOYSA-N	270.325	1.863	10	20	CDCD	
COCC(C)(C)CNC(=O)NCc1cccc(OC)c1O	813840377	MSFMUIDURXEDHF-UHFFFAOYSA-N	296.367	1.873	10	20	CDCD	
C[C@@H](O)C1(NCc2ccc(N3CCN(C)CC3)cc2)CC1	827585180	BSVJXBJUXRIRLE-CQSZACIVSA-N	289.423	1.441	10	20	CDCD	
COCC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C	839916158	PBNFHDJINDZUSY-LBPRGKRZSA-N	264.369	1.755	10	20	CDCD	
COC[C@@H](NCc1ccc(N(C)C)cc1C)C(=O)O	901477997	MMADSEZKDYJCIL-CYBMUJFWSA-N	266.341	1.250	10	20	CDCD	
O=C(N[C@H]1CCCC(F)(F)[C@@H]1O)c1cccc(O)c1O	839895868	WGRHBIYSFWTIQL-GZMMTYOYSA-N	287.262	1.376	10	20	CDCD	
C[C@@H](NC(=O)CNC(=O)N1CCCC1)c1ccccc1O	913763650	MRORPGPPBGPCOX-LLVKDONJSA-N	291.351	1.375	10	20	CDCD	
Nc1ccc(NC(=O)C2(n3cccn3)CCNCC2)cc1	843293641	TVOUAPWLANQWFH-UHFFFAOYSA-N	285.351	1.183	10	20	CDCD	
C[C@@H](CN)NCc1cc(Cl)cc([N+](=O)[O-])c1O	841063801	PLMNTXMJLQQIRE-LURJTMIESA-N	259.693	1.391	10	20	CDCD	
CC[C@H]1C[C@H](C(=O)NCc2ccc(O)cc2O)CCO1	910949600	LOZKLXISHGHYFD-MFKMUULPSA-N	279.336	1.919	10	20	CDCD	
CCN(CC)c1ccc(CN2CCO[C@H](CN)C2)cc1	843068830	MVTBOZYBYAFUHK-MRXNPFEDSA-N	277.412	1.692	10	20	CDCD	
COc1cccc([C@H](C)N[C@@H](C)[C@@H]2CN(C)CCO2)c1O	846157252	SVDTUDCDWFTXSY-HUBLWGQQSA-N	294.395	1.771	10	20	CDCD	
COc1cccc([C@H](C)N[C@@H]2CC(=O)N(C)C2)c1O	846147759	VTVKUICZBRQFBF-VHSXEESVSA-N	264.325	1.282	10	20	CDCD	
Oc1c(F)cccc1CN1[C@H]2CCNC[C@H]1CC2	843057328	CDNDNCYQGRITHE-VXGBXAGGSA-N	250.317	1.858	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2Cc1ccn(C)c(=O)c1	746493186	TZTIFTYOABOCDS-UHFFFAOYSA-N	299.374	1.850	10	20	CDCD	
Cn1cc(C[C@H]2CCN(C(=O)c3cc(O)cs3)C2)cn1	746693310	CSKNJXHWYHFRKZ-SNVBAGLBSA-N	291.376	1.892	10	20	CDCD	
CNCCNCc1cc(Br)ccc1O	841037362	ZWQFRGZYUMWPLL-UHFFFAOYSA-N	259.147	1.464	10	20	CDCD	
CCOc1ccc(O)c(CN2CCC[C@@H](N)C2)c1	843043870	NLMAAFDJHIBOGH-GFCCVEGCSA-N	250.342	1.714	10	20	CDCD	
CC(C)(C)OC(=O)CCNC(=O)c1cc(O)cs1	743502588	DDIOEBOFAYCSGQ-UHFFFAOYSA-N	271.338	1.915	10	20	CDCD	
O=C(NCCCSc1nccs1)[C@@H]1C[C@H]2C[C@H]2N1	843439200	CKRBYWXVCVUUJL-BBBLOLIVSA-N	283.422	1.492	10	20	CDCD	
CCOc1ccc(O)c(CNC[C@@H]2CCN2C)c1	922575944	QGMJRWNNCZGZJR-LBPRGKRZSA-N	250.342	1.585	10	20	CDCD	
CN(C)c1cc(F)c(CN[C@@H]2CCOC[C@H]2O)cc1F	858301265	TTYOEUHWASYJCJ-TZMCWYRMSA-N	286.322	1.270	10	20	CDCD	
C[C@@H](NCc1nnnn1C1CC1)c1cc(F)cc(F)c1O	756732480	MBVSVVITFWNCRZ-SSDOTTSWSA-N	295.293	1.843	10	20	CDCD	
Cc1ccc([C@@H](C)NCC2(CO)COC2)c(O)c1C	756761683	RBOZBLPJVGAJKX-GFCCVEGCSA-N	265.353	1.669	10	20	CDCD	
Nc1ccc(CCNC(=O)Nc2cnn(CCF)c2)cc1	859734054	IVSJAQIVWLUUCN-UHFFFAOYSA-N	291.330	1.799	10	20	CDCD	
O=C(NCc1ccc2nc(O)[nH]c2c1)c1cc(O)cs1	753476395	LEQRRIQAPPHUFH-UHFFFAOYSA-N	289.316	1.966	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)CCc1nc[nH]n1	750016590	BBXTWLYAONNMHE-UHFFFAOYSA-N	260.297	1.102	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)N[C@H](C)CNC	851681469	OKUAXKBCQGGMGT-GFCCVEGCSA-N	279.384	1.922	10	20	CDCD	
CN(C)c1cc(F)c(CN2CC[C@H](O)C2)cc1F	862224040	HKNJXIVSGVTIJT-JTQLQIEISA-N	256.296	1.597	10	20	CDCD	
C[C@@H](NC(=O)c1nc(=N)cc[nH]1)c1ccc(N(C)C)cc1	865977794	GXTMORGYKCNRCB-SNVBAGLBSA-N	285.351	1.446	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)Cc2cncn2C)c1	862757320	PAHPUJWCVORPIN-UHFFFAOYSA-N	259.309	1.293	10	20	CDCD	
Cc1ocnc1CNC(=O)/C=C\c1ccc(O)c(O)c1	779539495	GBTGKSQIYABRPF-HYXAFXHYSA-N	274.276	1.724	10	20	CDCD	
Cc1cccc(O)c1CN1CC(n2cc([C@H](C)O)nn2)C1	877176639	UDKVENJSTNCIJF-NSHDSACASA-N	288.351	1.402	10	20	CDCD	
COC1(C)CN(Cc2ccc(N3CCC(O)CC3)cc2)C1	877531992	ATTGFFLKCBZNIA-UHFFFAOYSA-N	290.407	1.868	10	20	CDCD	
Cc1ccc(CN[C@H](C)c2nnnn2C2CC2)c(O)c1	877473570	JZIWTASUUOAISX-SNVBAGLBSA-N	273.340	1.873	10	20	CDCD	
COC(C)(C)CCNC(=O)c1c(F)ccc(O)c1O	881432140	MEGTYYHVSYNBRR-UHFFFAOYSA-N	271.288	1.782	10	20	CDCD	
CC(C)SCC(=O)NCc1ccc(O)c(O)c1	778916699	OMNZAGHAODJMNM-UHFFFAOYSA-N	255.339	1.856	10	20	CDCD	
CN(CC(F)F)C(=O)/C=C/c1ccc(O)c(O)c1	779482485	GJZZKPNGTREWHD-HWKANZROSA-N	257.236	1.835	10	20	CDCD	
C[C@@H](NCCN1CCNC1=O)c1cc(F)cc(F)c1O	886745069	NKFKEHJXYCDIPZ-MRVPVSSYSA-N	285.294	1.346	10	20	CDCD	
Cn1nccc1[C@@H]1CN(C(=O)c2cc(O)cs2)CCO1	887590987	YOOZCTHARXJTPM-NSHDSACASA-N	293.348	1.401	10	20	CDCD	
Cc1ocnc1C(=O)OCC(=O)c1ccc(O)c(O)c1	783654122	MSLAIMSGJDTHTE-UHFFFAOYSA-N	277.232	1.434	10	20	CDCD	
CCN(CC)c1ccc(CN(C)C(=O)[C@H](CN)OC)cc1	884180558	CAIXHNTVKBHJIN-HNNXBMFYSA-N	293.411	1.465	10	20	CDCD	
CN(Cc1cccnc1)C(=O)c1c(F)ccc(O)c1O	789939491	NUTFEMHDKKVMGN-UHFFFAOYSA-N	276.267	1.904	10	20	CDCD	
Cc1cc(C(=O)OCC(=O)c2ccc(O)c(O)c2)on1	782610615	HCUYDVTXIUNPSY-UHFFFAOYSA-N	277.232	1.434	10	20	CDCD	
COc1cccc(O)c1CN1CC[C@@H](C2OCCO2)C1	896383798	FGUFMYDZWGGMJO-LLVKDONJSA-N	279.336	1.596	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)C(=O)c1ccc(O)cc1	798162029	KMPLIWWHVRLCAW-UHFFFAOYSA-N	285.299	1.939	10	20	CDCD	
CCOc1cc(O)ccc1NS(=O)(=O)N(C)C(C)C	790408706	HPIOCAYFBRUACW-UHFFFAOYSA-N	288.369	1.788	10	20	CDCD	
Cc1ccc(C(=O)N2CCCSC2)c(O)c1O	1337389655	PLWNVWRXOXOSAO-UHFFFAOYSA-N	253.323	1.943	10	20	CDCD	
C[C@@H](NCCOCCN(C)C)c1cc(F)ccc1O	219319546	VXVSJQSHUDNPCF-LLVKDONJSA-N	270.348	1.760	10	20	CDCD	
CC1(CO)CN(c2ccc(/C=C/C(=O)O)cc2[N+](=O)[O-])C1	1604582917	MZYYXWQLQLSMAJ-HWKANZROSA-N	292.291	1.511	10	20	CDCD	
C[C@H]1C[C@H](C(=O)O)CN(C(=O)c2cc(O)cs2)C1	1589272710	PRCJAJHPSFSSOV-YUMQZZPRSA-N	269.322	1.637	10	20	CDCD	
CCN1CCc2cc(CN[C@H](C(=O)O)[C@@H](C)OC)ccc21	1776877641	PDBAUARLCJZSOC-ABAIWWIYSA-N	292.379	1.647	10	20	CDCD	
COc1cccc(CNCCNC(=O)C2CC2)c1O	134225157	OGKFNAMPYPRAMB-UHFFFAOYSA-N	264.325	1.017	10	20	CDCD	
COc1cc(O)c(CN2CCC[C@@H](N(C)C)C2)cc1OC	160245044	WKVRYCQWDUFAFO-CYBMUJFWSA-N	294.395	1.935	10	20	CDCD	
C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)Cc1ccc(N)cc1	830360739	SOKULXIXVZUVLA-IUODEOHRSA-N	275.396	1.610	10	20	CDCD	
CN(C)c1ccc(CNC[C@H](O)c2ccccn2)cc1	853096932	QHRBEFQBUMLTLV-INIZCTEOSA-N	271.364	1.971	10	20	CDCD	
CCN(Cc1c(C)cccc1O)[C@@H](C)CS(C)(=O)=O	876735832	ILHYJWRVEMINOE-LBPRGKRZSA-N	285.409	1.956	10	20	CDCD	
CN1C[C@@H](N(C)Cc2cc(F)cc(F)c2O)CCC1=O	895387840	DZEIXXREYKUPQL-NSHDSACASA-N	284.306	1.723	10	20	CDCD	
C[C@@H](NCC(C)(C)OCCO)c1cc(F)ccc1O	287173408	CFWOOCUGJMAQNY-SNVBAGLBSA-N	271.332	1.969	10	20	CDCD	
N[C@@H]1CCN(Cc2cccc(Br)c2O)C1	309529355	CNGQGRCHMANUJE-SECBINFHSA-N	271.158	1.688	10	20	CDCD	
CCOc1cccc(CN2CC[C@H](CN)C2)c1O	50245078	DYIBZIQQZSGJPE-LLVKDONJSA-N	250.342	1.572	10	20	CDCD	
NC(=O)c1ccc(NCCCSc2nccs2)nn1	301751874	BEZZHRSHRIQBPD-UHFFFAOYSA-N	295.393	1.626	10	20	CDCD	
C[C@H]1CCCN(C[C@@H](C)NC(=O)c2cccc(O)c2O)C1	187007457	MKSDDYYFISOLJJ-NWDGAFQWSA-N	292.379	1.948	10	20	CDCD	
CN(C)c1ccc(CN(C)S(=O)(=O)[C@H]2CCOC2)cc1	74363124	ZGYUQSUPJOFFOB-AWEZNQCLSA-N	298.408	1.303	10	20	CDCD	
CCOC(=O)CN(Cc1ccccc1O)C[C@H]1CCCO1	72952754	JBNBNAVZVBNOIY-CQSZACIVSA-N	293.363	1.936	10	20	CDCD	
COCC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	49180135	JKESVHBQESPLON-GFCCVEGCSA-N	278.352	1.347	10	20	CDCD	
CCOc1cccc(CNC[C@H](O)C(C)C)c1O	134698189	LPFVKXIGVONVGP-LBPRGKRZSA-N	253.342	1.897	10	20	CDCD	
CC(C)CCN/C=C1/C(=O)NC(=S)N(CC(C)C)C1=O	48403170	UZAWSEBRWDLHCY-XFFZJAGNSA-N	297.424	1.405	10	20	CDCD	
Nc1ccc(CCNC(=O)c2ccnc(C3CC3)n2)cc1	237963048	LLUNIZRPRWDOLH-UHFFFAOYSA-N	282.347	1.909	10	20	CDCD	
CCN(Cc1cc(Br)ccc1O)C(=O)CN	236916115	MJKRRCPJQDVWBY-UHFFFAOYSA-N	287.157	1.462	10	20	CDCD	
Cc1nonc1C(=O)NCc1c(O)ccc2c1CCCC2	266565034	QIXNCCXRJRFZTA-UHFFFAOYSA-N	287.319	1.892	10	20	CDCD	
COc1cccc(CNC(=O)CCn2ccnc2)c1O	264283513	RLFKAISDUVDUGH-UHFFFAOYSA-N	275.308	1.304	10	20	CDCD	
CN(C)c1ccc(CN2C(=O)N[C@H](C3CC3)C2=O)cc1	277265026	HZQDHABVEVQARH-CYBMUJFWSA-N	273.336	1.583	10	20	CDCD	
CC(C)N1CCN(Cc2cc(F)ccc2O)CC1=O	272507743	IKHSHUKQVRJKEO-UHFFFAOYSA-N	266.316	1.584	10	20	CDCD	
CC[C@@H]1C[C@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1O	281895468	WSCKBQLBTMMOFG-LDYMZIIASA-N	298.364	1.292	10	20	CDCD	
CCc1nc(C)c(C(=O)NCCc2ccc(O)c(O)c2)o1	293729913	OYMUJJASYBLFEU-UHFFFAOYSA-N	290.319	1.929	10	20	CDCD	
CN(C)c1ccc(CN[C@@H]2CCCN(CCCO)C2)cc1	295094074	JOPFGJKZDZRRTG-MRXNPFEDSA-N	291.439	1.689	10	20	CDCD	
CO[C@H](C)[C@@H](C)NC[C@@H](N)c1ccc(N(C)C)cc1	817939340	BBWLIELJNBHSMN-LALPHHSUSA-N	265.401	1.765	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2cocn2)cc1F	729350138	XOCOEPBVPORWAQ-UHFFFAOYSA-N	263.272	1.810	10	20	CDCD	
C[C@@H](NC(=O)[C@@H]1C[C@@]12CCOC2)c1ccccc1O	827941778	YBDJNOFKBIYOEJ-IFUGULHKSA-N	261.321	1.996	10	20	CDCD	
COC(=O)[C@@H]1CCC[C@@H]1NCc1cc(OC)ccc1O	824702891	SNFNFNDHIHORTR-OLZOCXBDSA-N	279.336	1.832	10	20	CDCD	
CCOc1cccc(CN2CC[C@@H](O)[C@H]2C)c1O	825104386	VWDQVZMMHUSDSJ-ZYHUDNBSSA-N	251.326	1.746	10	20	CDCD	
CC[C@@H](CN1CCCC1)NC(=O)Cc1ccc(N)cc1	829769296	SCXWFLCAXBGFKM-HNNXBMFYSA-N	275.396	1.802	10	20	CDCD	
C[C@H](NCc1ccc(N(C)C)c(F)c1)c1cn(C)nn1	902779101	NRZBHKYVNLIVTH-JTQLQIEISA-N	277.347	1.871	10	20	CDCD	
C[C@@H](NC(=O)c1cc(O)cs1)c1ccn(C)n1	839796252	CKFXIKCAWVUGKO-SSDOTTSWSA-N	251.311	1.678	10	20	CDCD	
C[C@@H]1C[C@@H]1C(=O)OCC(=O)c1ccc(O)c(O)c1	916589988	ROLPAKWHRKQUCP-APPZFPTMSA-N	250.250	1.480	10	20	CDCD	
COC[C@@](C)(O)C(=O)NCc1cc(Cl)ccc1O	846474780	BJBGLTQWZBJYPL-GFCCVEGCSA-N	273.716	1.059	10	20	CDCD	
COc1cc(O)c(CN[C@@H]2CCNC2(C)C)cc1OC	841085433	CFPXEXBYMQRSEP-CQSZACIVSA-N	280.368	1.640	10	20	CDCD	
Nc1ccc(CCNC(=O)NCC2(CO)CCC2)cc1	841958993	JTRWYYUBKHOUCP-UHFFFAOYSA-N	277.368	1.273	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H](C)CN	841824770	TWGJDNYPJDDLDO-NSHDSACASA-N	264.373	1.207	10	20	CDCD	
Nc1ccc(-n2cc(CCN3CCCCC3)nn2)cc1	849134614	JDYSGFCNLBBRPL-UHFFFAOYSA-N	271.368	1.878	10	20	CDCD	
C[C@H]1CN(C(=O)NCCc2ccc(N)cc2)CCCO1	841957045	MCYRCDJUIQIAGK-LBPRGKRZSA-N	277.368	1.632	10	20	CDCD	
COc1cccc([C@@H](C)N[C@H]2CCCN(C)C2=O)c1O	846145096	KHADGFDDTNDEBY-PWSUYJOCSA-N	278.352	1.672	10	20	CDCD	
COc1cccc(O)c1CNC[C@H]1CCCCN1	841032633	IKSCPTMROVXYGY-LLVKDONJSA-N	250.342	1.633	10	20	CDCD	
COC(=O)c1ccoc1COC(=O)c1cccc(O)c1O	758573392	RJTQISGJPOJDQV-UHFFFAOYSA-N	292.243	1.834	10	20	CDCD	
CCCCN(Cc1ccccc1O)C(=O)C[C@H]1CC(=O)N1	854374426	SUWHXMCHXTVBPV-CYBMUJFWSA-N	290.363	1.800	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)N[C@H]2CCCN(C)C2=O)c1	858284936	DJDUCGWKMVMHQR-LBPRGKRZSA-N	291.351	1.121	10	20	CDCD	
OCC[C@@]1(NCc2ccc3c(c2)CCCO3)CCOC1	922067391	CSKZXIMTWPGIDO-MRXNPFEDSA-N	277.364	1.643	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccnc(O)c1	753640000	FTYOYEAMYQYAAQ-SECBINFHSA-N	288.303	1.559	10	20	CDCD	
CCOc1nnc(COC(=O)c2cccc(O)c2O)s1	758572340	KXOZKRXZHUGJAK-UHFFFAOYSA-N	296.304	1.705	10	20	CDCD	
CCC1(C(=O)NCc2cccc(OC)c2O)COC1	755775911	XQPNOJNRLWNIPR-UHFFFAOYSA-N	265.309	1.444	10	20	CDCD	
Cc1ccc(O)c(CNS(=O)(=O)CCn2cccn2)c1	867559121	GFFOVQALIXTKCX-UHFFFAOYSA-N	295.364	1.017	10	20	CDCD	
CCCN(C)CC(=O)NCCc1ccc(O)c(O)c1	762269169	ZYWKBYFRRKNRHO-UHFFFAOYSA-N	266.341	1.098	10	20	CDCD	
CN(C)[C@H]1[C@@H]2CN(C(=O)/C=C\c3ccc(O)c(O)c3)C[C@@H]21	861912854	TYIJIRIXBJIRLT-BRLMCLPJSA-N	288.347	1.129	10	20	CDCD	
CNC(=O)[C@H]1CCC[C@@H]1NC(=O)c1cc(O)cs1	766249286	IJFIRSCJCONUPE-IUCAKERBSA-N	268.338	1.098	10	20	CDCD	
O=C(CCc1cccnc1)NCc1ccc(O)c(O)c1	768917151	AMJBQNSRQVGIQK-UHFFFAOYSA-N	272.304	1.742	10	20	CDCD	
Cc1ccc(C(=O)N[C@H](CO)CC(F)F)c(O)c1O	760677151	KJZVQQQLOVGZET-ZETCQYMHSA-N	275.251	1.152	10	20	CDCD	
CCOC(=O)C1(CNC(=O)NCc2ccccc2O)CC1	770559562	UQCOOSGCDRPEJT-UHFFFAOYSA-N	292.335	1.535	10	20	CDCD	
OC1CCN(c2ccc(CN3CCC[C@@H](O)C3)cc2)CC1	876528203	SHAYAIHTHSQCQZ-QGZVFWFLSA-N	290.407	1.604	10	20	CDCD	
C[C@H](NC(=O)C1=COCCO1)c1ccc(N(C)C)cc1	773000377	ORMLOHCSQONITE-NSHDSACASA-N	276.336	1.818	10	20	CDCD	
Cn1ncc2cc(C(=O)NCc3ccc(O)c(O)c3)cnc21	778929069	FCKPEGNQEKIKMN-UHFFFAOYSA-N	298.302	1.310	10	20	CDCD	
CC[C@H]1CN(Cc2ccc(N3CCOCC3)cc2)C[C@@H]1O	770378188	DYVOBNCZYBTFQE-RDJZCZTQSA-N	290.407	1.726	10	20	CDCD	
CC[C@H](SC)C(=O)OCC(=O)c1ccc(O)c(O)c1	784316254	VBRWJKXZEBRNRL-LBPRGKRZSA-N	284.333	1.965	10	20	CDCD	
CCCCN(Cc1ccccc1O)C(=O)Cn1ncnn1	1123781786	YLOYGXGAZGDAGC-UHFFFAOYSA-N	289.339	1.208	10	20	CDCD	
CCN(C)C(=O)NCc1ccc(N2CCN(C)CC2)cc1	882663324	VFJFJTIADHLLDZ-UHFFFAOYSA-N	290.411	1.600	10	20	CDCD	
Cc1ccc(C(=O)Nc2c[nH]ccc2=O)c(O)c1O	780921810	FIAPQKUXISXWBZ-UHFFFAOYSA-N	260.249	1.347	10	20	CDCD	
CO[C@]1(C)CCCN(C(=O)NCc2ccc(N)cc2)C1	1120677581	SOISOJUMUONIKO-OAHLLOKOSA-N	277.368	1.979	10	20	CDCD	
Cc1ccc(C(=O)N2CCCOC[C@@H]2C)c(O)c1O	780987861	ZSJRNMJLZCTYIA-JTQLQIEISA-N	265.309	1.657	10	20	CDCD	
C[C@@H](NC(=O)NC[C@H](N)C1CC1)c1ccccc1O	892050947	JJYBGULMPUHNDP-SKDRFNHKSA-N	263.341	1.490	10	20	CDCD	
COc1ccc(CNC(=O)c2cncs2)c(O)c1	794388471	VLUKCWSTFGVODF-UHFFFAOYSA-N	264.306	1.787	10	20	CDCD	
COc1ccc(N(C)Cc2n[nH]c(C)n2)cc1OC	794290710	OINVWEBNEBEGDI-UHFFFAOYSA-N	262.313	1.767	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCC[C@@H]1N	85367118	OOQURFMPEWZVHY-CABCVRRESA-N	275.396	1.838	10	20	CDCD	
COc1cccc(O)c1CNCCc1ccn(C)n1	760651160	XUXKNKLOIBJCOU-UHFFFAOYSA-N	261.325	1.467	10	20	CDCD	
Oc1ccc(F)cc1CN[C@H]1CCn2ccnc2C1	779192950	RHBGJSIWQLBMLN-LBPRGKRZSA-N	261.300	1.832	10	20	CDCD	
CC(C)[C@@]1(CO)CCN(C(=O)c2c(F)ccc(O)c2O)C1	1324441869	YATNZTHJCZWIHC-HNNXBMFYSA-N	297.326	1.718	10	20	CDCD	
CSC[C@H](NCc1ccc2c(c1)CCO2)C(=O)O	1332478080	YDWPFCBTAMTQNP-NSHDSACASA-N	267.350	1.527	10	20	CDCD	
COC(=O)CC(=O)N(C)Cc1ccc(N(C)C)cc1	905449778	XUYSCBCTEWBSOC-UHFFFAOYSA-N	264.325	1.274	10	20	CDCD	
CCCNS(=O)(=O)NCc1cc(C)ccc1O	1351385162	SWMAYNYXWCLKNV-UHFFFAOYSA-N	258.343	1.035	10	20	CDCD	
CCOCC[C@@H](NCc1ccc(OC)c(C)c1)C(=O)O	1350669049	XDHKTPTUGWPZML-CYBMUJFWSA-N	281.352	1.973	10	20	CDCD	
O=C1NC(=S)S/C1=C/c1ccc(C(=O)O)o1	1602655996	JPBPXHNHDFUUQI-ZZXKWVIFSA-N	255.276	1.467	10	20	CDCD	
Cc1cccc(CN2CCC([C@H](O)C(=O)O)CC2)c1O	1610521870	BIPIOKSRVWBKTC-AWEZNQCLSA-N	279.336	1.358	10	20	CDCD	
COc1cc(C)c(CN2CC[C@@H]3NCC[C@H]3C2)c(O)c1	1579144438	GJYOMLCPBNDRRQ-WFASDCNBSA-N	276.380	1.893	10	20	CDCD	
CCOC[C@H](NCc1c(O)ccc(Cl)c1F)C(=O)O	1776906159	INNFOIWHILJBHZ-VIFPVBQESA-N	291.706	1.764	10	20	CDCD	
O=C(O)[C@@H](Cc1cccnc1)NCc1ccc2c(c1)CCO2	1777587159	BXMUICPULCAYQV-OAHLLOKOSA-N	298.342	1.802	10	20	CDCD	
CCOC[C@H](O)CN(C)c1ccc(OCC)cc1	157316625	KDEVEWQLTMEPAN-CYBMUJFWSA-N	253.342	1.919	10	20	CDCD	
COc1ccc(N(C)CCn2ccccc2=O)cc1	844352975	LQYKOKJGWMDIQD-UHFFFAOYSA-N	258.321	1.993	10	20	CDCD	
C[S@@](=O)C1(CNCc2ccc3c(c2)CCO3)CC1	282279907	IBVHNQRNXCEXQY-GOSISDBHSA-N	265.378	1.622	10	20	CDCD	
CCN(C)C(=O)CN[C@@H](C)c1ccc(N(C)C)cc1	186820033	JXFUMOKXAIBPNM-LBPRGKRZSA-N	263.385	1.882	10	20	CDCD	
CC[C@H](CO)NC(=O)NCc1ccc2c(c1)CCCN2C	57660735	VDGUATARILYHEA-CQSZACIVSA-N	291.395	1.639	10	20	CDCD	
Cc1cc(O)c(CN2CCS(=O)(=O)C[C@@H]2C)cc1C	172610694	STJXXOUCKMIOFY-LBPRGKRZSA-N	283.393	1.628	10	20	CDCD	
COc1ccc(O)c(CNC(=O)COCC2CC2)c1	114542545	FYOZQROCHHPITP-UHFFFAOYSA-N	265.309	1.444	10	20	CDCD	
COc1cc(C(=O)NCc2ccc(O)c(O)c2)on1	127536732	WHYOOZJVZNKYQI-UHFFFAOYSA-N	264.237	1.024	10	20	CDCD	
O=C(O)CCCNC(=O)/C=C\c1ccc(O)c(O)c1	33902495	RYLVNNKAVDBBNU-XQRVVYSFSA-N	265.265	1.092	10	20	CDCD	
CC[C@H]1CN(C(=O)c2ccc(C)c(O)c2O)CCO1	181846468	VTVLWRDHKXJBCP-JTQLQIEISA-N	265.309	1.657	10	20	CDCD	
CCS(=O)(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	49176438	JXOIQKPGCGNKOF-GFCCVEGCSA-N	298.408	1.524	10	20	CDCD	
C[C@H](O)CN(C)C(=O)NCCCSc1nccs1	91228606	OEEYTJBNAKYNRM-VIFPVBQESA-N	289.426	1.648	10	20	CDCD	
C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1O	299464477	CZGXPECBIGBPCV-SNVBAGLBSA-N	294.351	1.922	10	20	CDCD	
CCn1cc(S(=O)(=O)Nc2ccc(O)cc2C)cn1	266459155	PSJYAGJPEVUFBZ-UHFFFAOYSA-N	281.337	1.718	10	20	CDCD	
COc1ccc(O)c(CN2CCOC[C@@H]2[C@H]2CCCO2)c1	377689464	BUBWOXREFUCOIJ-GDBMZVCRSA-N	293.363	1.781	10	20	CDCD	
COc1cc(O)c(CN(C)C[C@@H](O)C2CC2)cc1OC	809752469	SKKSSEXXFZWMPV-CYBMUJFWSA-N	281.352	1.612	10	20	CDCD	
COc1cc(O)c(CN(C2CC2)C2COC2)cc1OC	296019421	MEYUAOJMELMVMY-UHFFFAOYSA-N	279.336	1.773	10	20	CDCD	
CCOCCN1C(=O)CN(Cc2ccccc2O)C1=O	819166093	MFYVMDCRXAFLJB-UHFFFAOYSA-N	278.308	1.193	10	20	CDCD	
CN(C)CCOc1ccc(N(C)Cc2cnn(C)n2)cc1	816569540	OSJBBGHOQBLNGX-UHFFFAOYSA-N	289.383	1.392	10	20	CDCD	
C[C@H](O)CNCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	818967699	ZJLHGSWBBCEJJV-YNEHKIRRSA-N	296.386	1.910	10	20	CDCD	
C[C@H]1CC(=O)NCCN1Cc1cc(Cl)c(F)cc1O	816612598	UCNXGFLWHCCVKH-QMMMGPOBSA-N	286.734	1.895	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)c2cnsn2)c1	728981840	FTKWZIFELSSORV-ZETCQYMHSA-N	279.321	1.743	10	20	CDCD	
CCN1C(=O)/C(=C\c2cncn2C)SC1=S	901415583	LDOOQHOOTCSRJH-XBXARRHUSA-N	253.352	1.641	10	20	CDCD	
Cc1cc(O)nc(C(C)(C)NC(=O)c2cc(O)cs2)n1	824155069	WNPCOWWGSOWKBN-UHFFFAOYSA-N	293.348	1.923	10	20	CDCD	
CCOc1ccc(CN2CC(=O)N[C@@H](C)C2)c(O)c1	824910240	UCXRSPYNWVELQY-JTQLQIEISA-N	264.325	1.111	10	20	CDCD	
CN(C)c1ccc([C@@H](CNC(=O)C(C)(C)N)N(C)C)cc1	906639386	IJCDEWNWTXVGHP-CQSZACIVSA-N	292.427	1.209	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)CN(C)C(=O)O)c1	738040702	BGGPLIHRLKUENX-QMMMGPOBSA-N	282.296	1.188	10	20	CDCD	
O=C(N[C@H]1CCCN(CCCO)C1)c1cc(O)cs1	833565633	KDJZSTRDHPPCNZ-JTQLQIEISA-N	284.381	1.030	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@]1(C(=O)O)C[C@H]1C	901974701	BJQJVPCPPXYQNC-BZNIZROVSA-N	290.363	1.788	10	20	CDCD	
CN1CC[C@@H](c2nc(Cc3ccc(N)cc3)no2)C1	843159013	KPPOEZHOKYZULP-LLVKDONJSA-N	258.325	1.662	10	20	CDCD	
Cc1cccc(CN[C@@H](CO)[C@H]2CCCOC2)c1O	840963817	QHYSRKFOWXHTSU-KBPBESRZSA-N	265.353	1.578	10	20	CDCD	
Nc1ccc(NC(=O)NCCCN2CCCCC2=O)cc1	841299392	CAEWZAMRVPCDCQ-UHFFFAOYSA-N	290.367	1.793	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H](C)C(=O)O)c1	848585069	FVXUTZIUNKIWPS-BDAKNGLRSA-N	296.323	1.482	10	20	CDCD	
COc1ccc(N(C)CCN(C)CC[C@H](C)O)cc1	844402922	WTNGXWAUYFYAPZ-ZDUSSCGKSA-N	266.385	1.834	10	20	CDCD	
CCc1cccc(CN2CCN(C(C)(C)CO)CC2)c1O	848887482	XKAYRJIBLUKVBD-UHFFFAOYSA-N	292.423	1.843	10	20	CDCD	
CN(CCN)C(=O)NCc1ccc2c(c1)CCCN2C	841760637	WVQYUDPNRKDUFE-UHFFFAOYSA-N	276.384	1.169	10	20	CDCD	
COc1cccc([C@@H](C)NC[C@@]2(O)CCOC2)c1O	846155659	BODYRMWFVGADEE-YGRLFVJLSA-N	267.325	1.203	10	20	CDCD	
CC1(C)[C@H](O)C[C@H]1NC(=O)NCCc1ccc(N)cc1	841960207	XUGSRNAOTDWUJZ-CHWSQXEVSA-N	277.368	1.270	10	20	CDCD	
C[C@@H](NC[C@@H](C)S(C)(=O)=O)c1cc(F)ccc1O	697579645	HGDDKYOEGOTNFJ-RKDXNWHRSA-N	275.345	1.615	10	20	CDCD	
O=C(NCc1cc(Cl)ccc1O)c1cnc[nH]1	857547764	SMMLDCIFJSGVMP-UHFFFAOYSA-N	251.673	1.699	10	20	CDCD	
Cc1cccc(O)c1CNC[C@H]1CC[C@@H](C(=O)N(C)C)O1	877130235	KNVXBABUQDYTKV-DOMZBBRYSA-N	292.379	1.426	10	20	CDCD	
CN(C(=O)[C@@H]1CCc2nnn(C)c2C1)c1ccc(N)cc1	877074422	JQECBKFECLUXAP-SNVBAGLBSA-N	285.351	1.165	10	20	CDCD	
CN(C)c1ccc(CN2CCC(NCCO)CC2)cc1F	873216172	JIAZDRGYKGLACI-UHFFFAOYSA-N	295.402	1.438	10	20	CDCD	
CCOC(=O)/C(=C\c1cn(C)nc1CC)c1nccn1C	770572350	FRPGXGXKJYKHMI-XFXZXTDPSA-N	288.351	1.820	10	20	CDCD	
Cc1cccc(CN2CCN(CCCCO)CC2)c1O	775690666	RHEQMMLPOZNDML-UHFFFAOYSA-N	278.396	1.591	10	20	CDCD	
COc1ccc(N(C)C[C@@]2(OC)CCOC2)cc1OC	877341908	GNWKVMSZRWFRLS-HNNXBMFYSA-N	281.352	1.946	10	20	CDCD	
CN(C)c1ccc(CN2C[C@H]3COC[C@H]3C2)cc1F	872267413	YKMVTEHGWHFCFR-BETUJISGSA-N	264.344	1.970	10	20	CDCD	
CN1CCN(c2ccc(CN3CC(C)(O)C3)cc2)CC1	877581302	VXHYEJHUVORSGM-UHFFFAOYSA-N	275.396	1.005	10	20	CDCD	
CNS(=O)(=O)CCCN[C@H](C)c1ccc(N(C)C)cc1	775833940	HYOBVOOKPXNYLO-GFCCVEGCSA-N	299.440	1.343	10	20	CDCD	
CCN(C)c1ccc(CN2CCO[C@H](COC)C2)cc1	773756716	YJXDUZUKGHKPCV-INIZCTEOSA-N	278.396	1.990	10	20	CDCD	
CC(C)[C@](C)(O)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	773741218	HXCJTOLPWMXYDJ-BONVTDFDSA-N	281.352	1.552	10	20	CDCD	
C[C@H](NCC1(O)CCN(C)CC1)c1c(O)cccc1F	886531005	VAVJJMUGVFOLHD-NSHDSACASA-N	282.359	1.639	10	20	CDCD	
CNC(=O)[C@@H]1CCCCN1Cc1cc(C)cc(OC)c1O	893947012	GUPGDTFFZKAWJG-ZDUSSCGKSA-N	292.379	1.810	10	20	CDCD	
COc1cc(C)cc(CNC[C@@]2(O)CCO[C@H]2C)c1O	894595321	OHMJOLYWGLUMEX-NHYWBVRUSA-N	281.352	1.339	10	20	CDCD	
COc1ccc(CNC(=O)Nc2nnc(C)s2)c(O)c1	794759579	AXTSWOZYERPLNC-UHFFFAOYSA-N	294.336	1.882	10	20	CDCD	
COc1ccc(O)c(CN[C@H](C)C2(CO)CC2)c1	710200024	LDUKFYPHBBFFOA-SNVBAGLBSA-N	251.326	1.651	10	20	CDCD	
C[C@H]1CN(C(=O)c2cccc(O)c2O)C[C@H](C)S1=O	791181224	HUJWYBVTZQCXBR-IUCAKERBSA-N	283.349	1.079	10	20	CDCD	
C[C@]1(CO)CCCN(C(=O)NCCc2ccc(N)cc2)C1	1325368707	AGEKVEJLBUIVJC-INIZCTEOSA-N	291.395	1.615	10	20	CDCD	
Cc1ccc(C(=O)OCC[C@H]2CCOC2)c(O)c1O	1324709768	NJWBKUFWVIBHFN-SNVBAGLBSA-N	266.293	1.990	10	20	CDCD	
Nc1ccc(CNC(=O)N2CCC(F)(F)C2)cc1	1336290348	LHCQFSDYYMICEY-UHFFFAOYSA-N	255.268	1.819	10	20	CDCD	
CC[C@@H]1CO[C@H](C)CN1C(=O)NCc1ccc(N)cc1	1262604598	XPYNMZDFRLAOAA-BXUZGUMPSA-N	277.368	1.978	10	20	CDCD	
CN(Cc1cc2c(cc1O)OCO2)C[C@@H]1CCCN1C	211556616	NUWQGYRMCOXWBB-LBPRGKRZSA-N	278.352	1.647	10	20	CDCD	
C[C@@H](NC[C@@H]1CCOC1)c1cc(C(=O)O)ccc1O	1604339337	XIHYBTBTSXPLTF-ZJUUUORDSA-N	265.309	1.778	10	20	CDCD	
C[C@@H](NC(=O)[C@H]1C[C@H]1C(=O)O)c1ccc(N(C)C)cc1	1604307676	VCIYKGPCFHMIQR-JIMOISOXSA-N	276.336	1.651	10	20	CDCD	
C[C@]1(NCc2ccc(N3CCOCC3)cc2)CCOC1	120246412	YETILPAIJHBMBH-INIZCTEOSA-N	276.380	1.792	10	20	CDCD	
C[C@@H](NCCC(C)(C)O)c1cccc(-c2nn[nH]n2)c1O	1589960874	HUFCYNYLPIMKRE-SECBINFHSA-N	291.355	1.384	10	20	CDCD	
COC[C@@](C)(O)CCN[C@H](C)c1cc(C(=O)O)ccc1O	1599157069	VVYQQIGBAHBLLT-BMIGLBTASA-N	297.351	1.529	10	20	CDCD	
O=C(Cc1ccc(O)c(O)c1)NCC1(C(=O)O)CCC1	1594707348	IOPVCQOLBAZGQF-UHFFFAOYSA-N	279.292	1.011	10	20	CDCD	
CCCC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(N)cc1	160336716	RCIYLGRWHFIWEC-CYBMUJFWSA-N	275.352	1.998	10	20	CDCD	
CC[C@H]1CN(C(=O)Cc2ccc(N)cc2)C[C@@H](C)O1	237063673	RUWNILMATBCMOL-RISCZKNCSA-N	262.353	1.837	10	20	CDCD	
O=S1(=O)CCC[C@H](NCc2cc(F)cc(F)c2O)C1	708558593	KIBJZDQXOCDRAP-JTQLQIEISA-N	291.319	1.337	10	20	CDCD	
C[C@H](NC(=O)CCCC(=O)O)c1ccccc1O	1334032847	KIJWUSJTHUJGSO-VIFPVBQESA-N	251.282	1.824	10	20	CDCD	
CCOc1cccc(CNCCCC(=O)NC2CC2)c1O	112017150	CTTAWAFQSWXYLR-UHFFFAOYSA-N	292.379	1.939	10	20	CDCD	
CN(C)c1ccc(CN2CCC[C@@H](OCCO)C2)cc1	179569840	JTXUEGCRGYKBBP-MRXNPFEDSA-N	278.396	1.726	10	20	CDCD	
Cc1nccn1CC(=O)N(C)Cc1ccc(N(C)C)cc1	119229482	GURFSEBTIMCUJI-UHFFFAOYSA-N	286.379	1.916	10	20	CDCD	
COc1ccc(O)c(CN[C@@H]2C[C@@H](O)C2(C)C)c1	129639638	HCCBTFYDJBENHY-CHWSQXEVSA-N	251.326	1.650	10	20	CDCD	
Cc1[nH]ncc1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	186427446	VDNFNIXXJUAQGN-MRVPVSSYSA-N	275.308	1.490	10	20	CDCD	
C[C@H]1CS(=O)(=O)CCN1Cc1cccc(Cl)c1O	180313448	LONVFDQPGYLSMU-VIFPVBQESA-N	289.784	1.665	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)[C@@H]2CCC(=O)N2)cc1	193569482	UQTBKAFLQQWQMH-AWEZNQCLSA-N	289.379	1.428	10	20	CDCD	
Nc1ccc(NC(=O)CNC(=O)C2CCCCC2)cc1	269111052	DSSUAEHMIZTQBM-UHFFFAOYSA-N	275.352	1.904	10	20	CDCD	
Cc1ccc(C(=O)N[C@@]2(C)CCOC2)c(O)c1O	272706029	CJTPMKQGEBZGKW-ZDUSSCGKSA-N	251.282	1.315	10	20	CDCD	
COc1cc(O)c(CNCCN2CC=CCC2)cc1OC	279943203	YZNLRHJQANZKQN-UHFFFAOYSA-N	292.379	1.761	10	20	CDCD	
CC[C@H](O)CCNCc1ccc([N+](=O)[O-])c(OC)c1O	278542791	XTMRRWZSJNJZGU-JTQLQIEISA-N	284.312	1.560	10	20	CDCD	
COC(=O)C[C@H]1COCCN1Cc1cc(OC)ccc1O	377835096	QTCATDGPWLXYNN-LBPRGKRZSA-N	295.335	1.165	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCc1c[nH]cn1	281121415	IDLZDRGMMFLHAP-SNVBAGLBSA-N	289.335	1.501	10	20	CDCD	
C[C@H](CNCc1ccc(N2CCOCC2)cc1)CN(C)C	386723502	SQXOUXCMDXEBAG-OAHLLOKOSA-N	291.439	1.811	10	20	CDCD	
NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1Cc1ccc(N)cc1	1345160174	SSJDLUDXNXELSK-UBHSHLNASA-N	259.353	1.355	10	20	CDCD	
C[C@@H](N)CN[C@H](C)c1ccc(N2CCOCC2)c(F)c1	817972597	YFJFCZNAZIUBEI-VXGBXAGGSA-N	281.375	1.660	10	20	CDCD	
Cc1nc(C(=O)NCc2ccc(O)c(O)c2)c(C)o1	815835869	IFJANZNOCWXLJF-UHFFFAOYSA-N	262.265	1.633	10	20	CDCD	
CCN(C)c1ccc(CN(CCO)C[C@@H](C)O)cc1	815119898	KBKDSRHHNKFAJG-CYBMUJFWSA-N	266.385	1.318	10	20	CDCD	
CC[C@@H](CCO)CNC(=O)c1c(F)ccc(O)c1O	826843321	LNDPPIOAULEIMS-QMMMGPOBSA-N	271.288	1.375	10	20	CDCD	
CCOC(=O)/C(=C/c1cnn(CC)n1)c1nccn1C	901463851	CXAJVHTVRCFIBK-DHZHZOJOSA-N	275.312	1.135	10	20	CDCD	
CO[C@@H]1CCN(C(=O)c2c(F)ccc(O)c2O)C1	826646893	HKUAGVRINPJZDA-SSDOTTSWSA-N	255.245	1.098	10	20	CDCD	
CC[C@H](N[C@H](C)c1cc(C(=O)OC)ccc1O)[C@@H](C)O	834886271	BDXFYSZTYUUJHD-BREBYQMCSA-N	281.352	1.989	10	20	CDCD	
CN(C)c1ccc([C@H](N)CNC(=O)[C@@H]2CCCOC2)cc1	832278908	GDORTVISYXGSJU-UKRRQHHQSA-N	291.395	1.295	10	20	CDCD	
CCCc1nc(C(=O)NCc2ccc(O)cc2O)co1	910949613	MCCASHDMAUCZSE-UHFFFAOYSA-N	276.292	1.968	10	20	CDCD	
C[C@@H](C(=O)NCc1ccc(O)cc1O)C(=O)OC(C)(C)C	910944161	LSMRQERRGPVGJH-VIFPVBQESA-N	295.335	1.692	10	20	CDCD	
CC1CCN(CCNC(=O)NCc2ccccc2O)CC1	748458663	AGXQPEHEUUSUEJ-UHFFFAOYSA-N	291.395	1.923	10	20	CDCD	
CC[C@@H](C(=O)O)C(=O)NCc1ccc2c(c1)CCCN2C	911301499	LPVPZMXTNUAJEI-CYBMUJFWSA-N	290.363	1.796	10	20	CDCD	
COc1cccc(CNC(=O)N[C@H](C)CCCCN)c1O	841997994	UIOMLNBZHAYACS-LLVKDONJSA-N	295.383	1.718	10	20	CDCD	
CC(C)[C@H]1CN(C(=O)Cc2ccc(N)cc2)CCN1	841851572	MRJHBJIVPVIBSG-CQSZACIVSA-N	261.369	1.268	10	20	CDCD	
Nc1ccc(CCNC(=O)NC[C@H]2CCCNC2)cc1	841923348	DFBQHEUCDCOUDK-ZDUSSCGKSA-N	276.384	1.110	10	20	CDCD	
CC(C)[C@@H](N)CNC(=O)NCCc1ccc(N)cc1	841945025	UHFVNAQRFKUOMA-ZDUSSCGKSA-N	264.373	1.094	10	20	CDCD	
CCC(=O)N[C@H](C)C(=O)NCc1cc(Cl)ccc1O	846473520	SPGUEIXNVIYOOV-MRVPVSSYSA-N	284.743	1.577	10	20	CDCD	
COc1cccc([C@@H](C)N[C@@H](C)C(=O)NCCF)c1O	846168313	RYIVIIWDWSDJKM-ZJUUUORDSA-N	284.331	1.526	10	20	CDCD	
COc1ccc(O)c(CN[C@@H]2CCC[C@H](N)C2)c1	841056775	DXGIUEWLUHBSFM-NWDGAFQWSA-N	250.342	1.760	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN[C@H](C)CCS(C)(=O)=O	840936330	CPPPYXQYDXKSGO-CYBMUJFWSA-N	298.452	1.974	10	20	CDCD	
COCCOC[C@@H](C)NCc1ccc(N(C)C)cc1	742376670	BFHCDVWDWWHAFN-CYBMUJFWSA-N	266.385	1.894	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NC[C@@H]2CCCNC2)cc1	841656231	XQUSVKJLJWECHG-CQSZACIVSA-N	290.411	1.551	10	20	CDCD	
C[C@H](NC(=O)c1cc(O)cs1)c1nccn1C	856281014	KXRHHRRZTRCBML-ZETCQYMHSA-N	251.311	1.678	10	20	CDCD	
Oc1c(F)cc(Cl)cc1CNCCN1CC[C@@H](O)C1	862532247	UVYQYVBPHZAQHK-LLVKDONJSA-N	288.750	1.341	10	20	CDCD	
COc1ccc(CNCC(C)(C)O)cc1Cn1cccn1	873048542	DEUCDFKDKUATPB-UHFFFAOYSA-N	289.379	1.801	10	20	CDCD	
CC[C@@]1(O)CCN(C(=O)c2ccc(C)c(O)c2O)C1	779343270	RCWPGBZHYAOMKL-CQSZACIVSA-N	265.309	1.393	10	20	CDCD	
C[C@@H](NC(=O)Nc1cnnn1C)c1ccccc1O	879476404	DLUPSUHMRUABBE-MRVPVSSYSA-N	261.285	1.403	10	20	CDCD	
CN(CC(=O)N=S(C)(C)=O)Cc1ccccc1O	878242770	VIHZBVQHVWBORJ-UHFFFAOYSA-N	270.354	1.078	10	20	CDCD	
C[C@H](NC(=O)N1CC[C@@H](CO)C1)c1ccc(N(C)C)cc1	776245872	OYMLRNAGZYGIID-QWHCGFSZSA-N	291.395	1.837	10	20	CDCD	
Cc1ccc(CNC[C@H]2CC[C@H](C(=O)N(C)C)O2)c(O)c1	877129338	BTZYTCAVBHGEHR-UKRRQHHQSA-N	292.379	1.426	10	20	CDCD	
COC(=O)C[C@]1(NCc2cc(F)ccc2O)CCCOC1	770672601	ARPDNUAQWLZUOZ-OAHLLOKOSA-N	297.326	1.733	10	20	CDCD	
NC(=O)[C@H]1CCN(Cc2cc(Cl)cc(F)c2O)C1	775637658	UDOGNMKAQKICQY-ZETCQYMHSA-N	272.707	1.492	10	20	CDCD	
COc1cc(C)cc(CN[C@H]2C[C@@H](C(=O)OC)C2)c1O	895317424	NPCSGXRYSUOYBM-KLPPZKSPSA-N	279.336	1.750	10	20	CDCD	
COc1ccc(CN[C@@H](C)[C@@H]2CCOC2)c(O)c1OC	893070370	HTJSRYSBTOXGTA-CMPLNLGQSA-N	281.352	1.924	10	20	CDCD	
CN(CCN1CCCC1=O)Cc1cc(F)cc(F)c1O	894016507	FCCSPMSRQPCDFI-UHFFFAOYSA-N	284.306	1.725	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)NC[C@H]2C[C@H](N)C2)c1	892578088	PDICFLMXYXOMOY-DCAQKATOSA-N	293.367	1.498	10	20	CDCD	
CC[C@H]1CN(Cc2cc(F)cc(F)c2O)C[C@@H]1O	894094089	JIEZBCLOZDCZCD-UFBFGSQYSA-N	257.280	1.873	10	20	CDCD	
CNC(=O)CN(C)Cc1ccc(N2CCCC2)cc1	1204324527	MMKMYHLRYPZBEA-UHFFFAOYSA-N	261.369	1.465	10	20	CDCD	
C[C@@H](NC(=O)CO[C@@H]1CCOC1)c1ccc(N(C)C)cc1	1321419490	HJCZTMGDNYJAKP-IUODEOHRSA-N	292.379	1.735	10	20	CDCD	
COc1cccc(CN[C@@H](CO)C(C)(C)C)c1O	205816219	GJVNZJGUCKRCAL-LBPRGKRZSA-N	253.342	1.897	10	20	CDCD	
O=C(NCc1cccc(O)c1O)c1cnc(C2CC2)o1	1347542437	MLYPHPXMZCTKOH-UHFFFAOYSA-N	274.276	1.893	10	20	CDCD	
Nc1ccc(CNC(=O)N2CCC[C@H](CO)C2)cc1	1346738744	KAOAKSOFCJEENW-LBPRGKRZSA-N	263.341	1.183	10	20	CDCD	
C[C@](O)(CC(=O)NCc1cccc(O)c1O)C1CC1	1352658802	YUWIZCRKZSHKCT-AWEZNQCLSA-N	265.309	1.265	10	20	CDCD	
C[C@@H](C[C@@H](C)O)NCc1ccc(N2CCOCC2)cc1	228067978	PDOQTSNHYNCBNU-UONOGXRCSA-N	278.396	1.772	10	20	CDCD	
C[C@@](CCF)(NC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)O	1592494774	COOUQFROJOBSID-MFBWXBCUSA-N	297.282	1.430	10	20	CDCD	
COc1cccc(CNCc2c[nH]c(C(=O)O)c2)c1O	1599673634	HOCRCDLAOQZMMS-UHFFFAOYSA-N	276.292	1.717	10	20	CDCD	
O=C(O)CCCCNCc1ccc(N2CC[C@H](O)C2)cc1	1777639154	OPFONVXAGZIULO-HNNXBMFYSA-N	292.379	1.602	10	20	CDCD	
COc1cc(CN(C)CCS(C)(=O)=O)c(O)cc1C	160124078	SKMILOSTLAYIEV-UHFFFAOYSA-N	287.381	1.186	10	20	CDCD	
COCCN[C@H](C)c1ccc(N2CCOCC2)cc1	152092271	XOWAJOMZUABGTD-CYBMUJFWSA-N	264.369	1.820	10	20	CDCD	
CCC[C@@](C)(O)CNC(=O)Nc1ccc(N)cc1	841299341	AOSQIAMFYAZCJQ-CYBMUJFWSA-N	251.330	1.941	10	20	CDCD	
C[C@H](CCS(C)(=O)=O)N[C@@H]1CCc2cccc(O)c21	834623946	CLLFXOJVKDAADT-ZYHUDNBSSA-N	283.393	1.792	10	20	CDCD	
Cc1ncccc1CCNC(=O)Cc1ccc(N)cc1	1122321662	WTASNQVXOVTFRG-UHFFFAOYSA-N	269.348	1.874	10	20	CDCD	
Nc1ccc(OCc2cn([C@H]3CCOC3)nn2)cc1	864635298	SJSDGUNCTIFACM-LBPRGKRZSA-N	260.297	1.401	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@H]1CCCCS1(=O)=O	273210632	LKKJVWUVAGTGMX-CYBMUJFWSA-N	297.376	1.318	10	20	CDCD	
Oc1cc2c(cc1CNC[C@@H](O)C1CCC1)OCO2	315984876	BMMKELMUJQCODY-GFCCVEGCSA-N	265.309	1.372	10	20	CDCD	
CCc1cccc(CN2CCO[C@@H](COC)C2)c1O	705848749	NGNXHSHXNJHAGV-CQSZACIVSA-N	265.353	1.802	10	20	CDCD	
COc1ccc(CNCCCn2cncn2)cc1C	381661255	DVEDZWKAGFAGJU-UHFFFAOYSA-N	260.341	1.775	10	20	CDCD	
O=C(NCc1ccccc1O)[C@@H]1C[C@H]2CC[C@H]1NC2	394659167	NAEBNOOJNOZDCR-RAIGVLPGSA-N	260.337	1.397	10	20	CDCD	
CCS(=O)(=O)C[C@@H](C)NCc1c(O)cccc1Cl	113350387	KVCZAXLLNXSBNO-SECBINFHSA-N	291.800	1.958	10	20	CDCD	
O=C(NCCCSc1nccs1)c1c[nH]nn1	114375348	VBFPPYGMURLNRF-UHFFFAOYSA-N	269.355	1.173	10	20	CDCD	
COc1ccc(O)c(CNC(=O)C(F)(F)C(F)F)c1	178284563	IGXZQHISCPUJEV-UHFFFAOYSA-N	281.205	1.917	10	20	CDCD	
Cc1ccc(O)c(CN2CCN3C(=O)OC[C@@H]3C2)c1	378344844	DCRAAYPKCHLQGD-LBPRGKRZSA-N	262.309	1.337	10	20	CDCD	
CSCC[C@@H](N)C(=O)N(C)Cc1ccccc1O	131055832	UPLCCINPHSDSOT-LLVKDONJSA-N	268.382	1.431	10	20	CDCD	
CCC[C@@H](N)C(=O)NCc1ccc(N2CCOCC2)cc1	236970470	QEKUPIBUGZMWTL-OAHLLOKOSA-N	291.395	1.267	10	20	CDCD	
Oc1cc2c(cc1CN1CCOC[C@@H]1C1CC1)OCO2	93645787	GZACLNFTYJEBCS-GFCCVEGCSA-N	277.320	1.732	10	20	CDCD	
C[C@@H]1O[C@H](C)[C@@H](C(=O)NCc2ccc(O)c(O)c2)[C@@H]1C	528859779	FXSQBCCLUOBAPY-PUXPGTEJSA-N	279.336	1.774	10	20	CDCD	
CCCNC(=O)CCC(=O)NCc1ccc(N(C)C)cc1	264211886	WDNGVIHXTNYUFY-UHFFFAOYSA-N	291.395	1.675	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N2CCO[C@@H]3C[C@H]32)cc1F	368181805	WCYBSYKBDDUHPJ-ZIAGYGMSSA-N	293.342	1.574	10	20	CDCD	
CNC(=O)N1CCN(Cc2cc(C)c(C)cc2O)CC1	271164966	BHWLLMQDXBFFRX-UHFFFAOYSA-N	277.368	1.466	10	20	CDCD	
C[C@H](N[C@H](C)c1ccccc1O)C(=O)NCCF	282946635	ZAQYYVZLAZMEFX-ZJUUUORDSA-N	254.305	1.517	10	20	CDCD	
COCC(C)(C)CNC(=O)/C=C/c1ccc(O)c(O)c1	293751712	PFOQPPLFGXKFBE-FNORWQNLSA-N	279.336	1.900	10	20	CDCD	
COc1ccc(CNCCCc2cnn(C)n2)cc1C	293077559	VYYGOFHTFUGTKE-UHFFFAOYSA-N	274.368	1.855	10	20	CDCD	
CCOc1ccc(OCC(=O)OCC(=O)C(C)=O)cc1	808485274	MIKIYRRYHJIPAT-UHFFFAOYSA-N	280.276	1.165	10	20	CDCD	
CCOC(=O)C(C)(C)CC(=O)NCc1ccccc1O	806717181	BOGHPPYVVWOIBH-UHFFFAOYSA-N	279.336	1.988	10	20	CDCD	
COCCNCCN[C@H](C)c1cc(F)ccc1O	817965011	MQQSOIVTNBFVKQ-SNVBAGLBSA-N	256.321	1.418	10	20	CDCD	
C[C@@H](NC[C@H]1CNCCO1)c1cc(F)cc(F)c1O	817983982	SZBYCHICCTXCLG-PSASIEDQSA-N	272.295	1.309	10	20	CDCD	
COc1ccc(N2CCN(CCc3cnn[nH]3)CC2)cc1	821386390	KQHSBTXUUDGRHP-UHFFFAOYSA-N	287.367	1.178	10	20	CDCD	
CCCN1C[C@H](C(=O)N[C@H](C)c2ccccc2O)CC1=O	827952465	TXOUPPNWLLKWTE-VXGBXAGGSA-N	290.363	1.828	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C[C@@H](N)CC(F)F	903906321	VLRMXBNTDPZKHE-JTQLQIEISA-N	285.338	1.934	10	20	CDCD	
CC(C)[C@@H](NC(=O)O)C(=O)NCc1ccc(O)c(O)c1	833469347	WDOAUUHGCPUCIW-LLVKDONJSA-N	282.296	1.006	10	20	CDCD	
C[C@H](Cc1cnn(C)c1)C(=O)N(C)Cc1ccccc1O	837467425	GDJCYHINUKFAQH-GFCCVEGCSA-N	287.363	1.963	10	20	CDCD	
Cc1nc(O)[nH]c1C(=O)N(C)Cc1ccc(N(C)C)cc1	847304703	ZDEHJJJZUXVBRI-UHFFFAOYSA-N	288.351	1.762	10	20	CDCD	
CCc1cccc(CN2CCCC[C@@H]2C(N)=O)c1O	848881589	YRIMZBHARAHRBT-CYBMUJFWSA-N	262.353	1.794	10	20	CDCD	
COc1cccc([C@@H](C)N[C@H](CO)c2cnn(C)c2)c1O	846158247	VOIJFQFCQFHFTB-ZWNOBZJWSA-N	291.351	1.519	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN(C)C2(CN)CCC2)c1O	843124409	ALTPFYGHBUYSBF-UHFFFAOYSA-N	295.339	1.622	10	20	CDCD	
COc1cccc(O)c1CN[C@@H]1CC12CCNCC2	841079323	MAXDHQIGWZLTNX-CQSZACIVSA-N	262.353	1.633	10	20	CDCD	
COC[C@@H](O)CN[C@H](C)c1ccc(Cl)cc1O	841754046	YRGXKLMDVNBFBB-SCZZXKLOSA-N	259.733	1.704	10	20	CDCD	
C[C@H](CC(N)=O)N[C@H](C)c1cc(Cl)ccc1O	756660210	LARWDZCIAHZMJK-HTQZYQBOSA-N	256.733	1.960	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)C[C@H]2COC(=O)C2)c1	767960144	ZMWZCLAUAYVTNB-NXEZZACHSA-N	293.319	1.531	10	20	CDCD	
C[C@@H]1CN(Cc2c(O)cccc2Br)CC(=O)N1	862387932	SNCVIFFRDGWPFI-MRVPVSSYSA-N	299.168	1.475	10	20	CDCD	
CO[C@@H](C)CNCc1ccc(N2CCC(O)CC2)cc1	877464986	QGKATPARFUTTLQ-ZDUSSCGKSA-N	278.396	1.772	10	20	CDCD	
Cc1nn(C)c(=O)c(C(=O)N(C)c2ccc(N)cc2)c1C	877076991	ZTMWNEPTHJCRMO-UHFFFAOYSA-N	286.335	1.256	10	20	CDCD	
CCc1nnc2ccc(NCCc3ccc(O)c(O)c3)nn12	771238772	PSDZOUPONMVEHU-UHFFFAOYSA-N	299.334	1.753	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@]1(C)CCOC1	773769202	QVYSZWBAJBNADT-BMIGLBTASA-N	279.336	1.572	10	20	CDCD	
CN(Cc1cc(Cl)cc([N+](=O)[O-])c1O)[C@@H]1CCNC1=O	770379116	ISWUXVZNKVGDAH-SECBINFHSA-N	299.714	1.274	10	20	CDCD	
COCC1(S(=O)(=O)Nc2ccc(O)c(OC)c2)CC1	882722313	KYPMTOVFMYPPQA-UHFFFAOYSA-N	287.337	1.322	10	20	CDCD	
CN1CCN(c2ccc(CNC(=O)c3cn[nH]c3)cc2)CC1	881850526	XOPRYXXZDTZMGG-UHFFFAOYSA-N	299.378	1.092	10	20	CDCD	
COc1ccc(CN2CC[C@@H](C)[C@@H](CO)C2)c(O)c1OC	895515601	WPIQZJWFKBEPMB-DGCLKSJQSA-N	295.379	1.860	10	20	CDCD	
COC(=O)[C@@H]1CCN(Cc2cccc(OC)c2O)[C@@H]1C	787420283	FHDUIFGPWURZSU-ZYHUDNBSSA-N	279.336	1.784	10	20	CDCD	
O=C1CN(Cc2ccc(N3CCCC3)cc2)CCN1	1204320372	VYALGMLOEVKAJV-UHFFFAOYSA-N	259.353	1.219	10	20	CDCD	
C[C@@]1(C(=O)O)CCCN1C(=O)Cc1ccc(N)cc1	79482576	WLVFMJXQRRRLTM-AWEZNQCLSA-N	262.309	1.277	10	20	CDCD	
C[C@H](NC(=O)NCc1ccc(N(C)C)cc1)C(=O)O	780350729	SACCBMSFSCVYSB-VIFPVBQESA-N	265.313	1.025	10	20	CDCD	
COC(=O)c1cnc(S[C@@H](C)OC(C)=O)s1	1329533104	XJGWYSNABXIPEQ-LURJTMIESA-N	261.324	1.931	10	20	CDCD	
CONC(=O)C1CCN(C(=O)Nc2ccc(N)cc2)CC1	1329797536	BKJNFXCYNINESN-UHFFFAOYSA-N	292.339	1.190	10	20	CDCD	
Cc1ccc(O)c(CNCc2nnc3n2CCOC3)c1	1321863074	JKWGFIPFZCYUOC-UHFFFAOYSA-N	274.324	1.112	10	20	CDCD	
CCNC(=O)C(C)(C)CNC(=O)NCc1ccc(N)cc1	1336862938	HIVDEQUWJMONPM-UHFFFAOYSA-N	292.383	1.230	10	20	CDCD	
CC[C@H]1CC[C@H](C(=O)NCc2cccc(O)c2O)O1	1347543244	ZBZXBCLDXVXPFK-CMPLNLGQSA-N	265.309	1.672	10	20	CDCD	
CC[C@H](CNC(=O)c1c(F)ccc(O)c1O)C(=O)O	1603566905	ISBACNBMFPWWAL-ZCFIWIBFSA-N	271.244	1.078	10	20	CDCD	
CCOc1ccc(CN2C[C@@H](C)[C@H](C(=O)O)C2)c(O)c1	1610043064	BIBUYSQPMDZVTM-ZWNOBZJWSA-N	279.336	1.943	10	20	CDCD	
CN(C)c1cc(F)c(CN2CCC[C@H](N)C2)cc1F	1578423426	WJBQZHOOSCXBEC-NSHDSACASA-N	269.339	1.954	10	20	CDCD	
C[C@H]1CN(C(=O)C2=CC[C@@H](N)C2)c2cccc(F)c2O1	1576762127	IBYCQNCLYOQFTJ-GXSJLCMTSA-N	276.311	1.987	10	20	CDCD	
CCN(C)C(=O)[C@H](C)NCc1ccc(OC)c(C)c1	231843111	HNNZTZWABKEWCD-LBPRGKRZSA-N	264.369	1.960	10	20	CDCD	
C[C@@H](NCCN1CCOCC1)c1ccccc1O	19954243	RHRAXIMDNFYHMP-GFCCVEGCSA-N	250.342	1.375	10	20	CDCD	
CCOc1ccc(N(C)CC(=O)NC(=O)NC2CC2)cc1	150729178	FILRMMWAYMPJRH-UHFFFAOYSA-N	291.351	1.510	10	20	CDCD	
C[C@@H]1C[C@@H](C)N(C(=O)Cc2ccc(N)cc2)C[C@H]1CN	817860501	OERYIJOIDWVPEF-YRGRVCCFSA-N	275.396	1.643	10	20	CDCD	
Nc1ccc(NC(=O)NCCOC[C@@H]2CCCO2)cc1	841301020	ZOJWQPQPNPILBR-ZDUSSCGKSA-N	279.340	1.586	10	20	CDCD	
Cc1cccc(O)c1CNCCCN(C)S(C)(=O)=O	876929517	ZPAMSOCGNHYFNK-UHFFFAOYSA-N	286.397	1.072	10	20	CDCD	
CCOc1cccc(CN[C@@H](CO)CC(F)F)c1O	717811658	PJRQOQRQRUSAHM-SNVBAGLBSA-N	275.295	1.897	10	20	CDCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NCc1nnn(C)n1	398065284	HJNHYHLMRUJJIB-ZJUUUORDSA-N	273.340	1.562	10	20	CDCD	
COc1ccc(O)c(CN2CC(C)(C(=O)O)C2)c1	399175700	AZOCEOGQPHZQAE-UHFFFAOYSA-N	251.282	1.307	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)Cn2cccn2)c1	170900865	RQGFIHXUTQOYPW-JTQLQIEISA-N	275.308	1.475	10	20	CDCD	
O=C(Cc1ccn[nH]1)NCCCSc1nccs1	173561429	JEDDLXIXFRYCHI-UHFFFAOYSA-N	282.394	1.707	10	20	CDCD	
CO[C@]1(CN[C@H](C)c2ccccc2O)CCOC1	123273931	VVBMCXOHQDRXEL-RISCZKNCSA-N	251.326	1.848	10	20	CDCD	
CN(C)C(=O)CCNC(=O)N(C)Cc1ccccc1O	79514803	VZWFAWBCXPRBGL-UHFFFAOYSA-N	279.340	1.012	10	20	CDCD	
Cc1nscc1C(=O)NCc1ccc(O)c(O)c1	182265576	DJRUMXHZIYXZLH-UHFFFAOYSA-N	264.306	1.793	10	20	CDCD	
CCOc1cccc([C@H]2NC(=O)CN2CC(C)C)c1O	77474210	VWALLCYTJOJVLU-HNNXBMFYSA-N	278.352	1.877	10	20	CDCD	
CC[C@@H](C(=O)OC)N1CCOc2cc(N(C)C)ccc21	181130802	PAKXUOKUQUANEO-LBPRGKRZSA-N	278.352	1.903	10	20	CDCD	
CC[C@H](NC[C@H]1COCCN1)c1ccc(F)cc1O	530221128	CVQBLSZVJAMUGW-AAEUAGOBSA-N	268.332	1.560	10	20	CDCD	
Cc1ccc(C(=O)N(C)[C@H](C)C[S@](C)=O)c(O)c1O	274524860	PNSROTKYRUJLRB-HOGDKLEQSA-N	285.365	1.245	10	20	CDCD	
OC[C@H](CC1CCC1)NCc1cc2c(cc1O)OCO2	279615542	AHUJNLVZAQDWDA-LBPRGKRZSA-N	279.336	1.762	10	20	CDCD	
CCN(CC)c1ccc(CNS(=O)(=O)NC)cc1F	285195349	NZVFBTOTBDSLPV-UHFFFAOYSA-N	289.376	1.226	10	20	CDCD	
CCn1nncc1C(=O)NCc1ccc2c(c1)CCCN2C	292996719	MRWNTIWVEMMYPY-UHFFFAOYSA-N	299.378	1.610	10	20	CDCD	
CC(=O)C(=O)COC(=O)c1cc2c(s1)CCC2	808484897	UGGSYPUKADQMMO-UHFFFAOYSA-N	252.291	1.552	10	20	CDCD	
CN(C)c1ccc(CN(CC(=O)NC2CC2)C2CC2)cc1	298742036	XGZDJQNUGBJFHS-UHFFFAOYSA-N	287.407	1.996	10	20	CDCD	
Cc1cc(Cn2cnc([N+](=O)[O-])n2)ccc1N(C)C	292690515	PROPZHXRASOUQH-UHFFFAOYSA-N	261.285	1.609	10	20	CDCD	
C[C@@H](N[C@@H]1CCNC1)c1cc([N+](=O)[O-])ccc1O	817944522	FRXICLUAGLVURJ-RKDXNWHRSA-N	251.286	1.313	10	20	CDCD	
O=S(=O)(CCOCC1CC1)NCc1ccccc1O	819876172	RFOSJEJBTKDLCV-UHFFFAOYSA-N	285.365	1.238	10	20	CDCD	
COc1ccc(CNC(=O)[C@@H]2C[C@@H](C)CCN2)c(O)c1	818000978	WUIYKGSWENWRDM-GWCFXTLKSA-N	278.352	1.405	10	20	CDCD	
COC(=O)c1cc(C(=O)NCc2ccccc2O)c[nH]1	815834214	YPXCJWJRDVAEMU-UHFFFAOYSA-N	274.276	1.437	10	20	CDCD	
Cc1cc(O)c(CNCCC(=O)N(C)C)cc1Cl	825167746	QWBXXZRUDYKYSY-UHFFFAOYSA-N	270.760	1.922	10	20	CDCD	
COc1ccc(O)c(CN2C[C@@H](C)[C@H](CC(=O)O)C2)c1	722622713	VKPQOUVNOPPNPJ-GHMZBOCLSA-N	279.336	1.943	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](C)N(C)C	821806653	GGOWRNJUIQJFFP-NXEZZACHSA-N	266.341	1.095	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)[C@@H](N)COC	828144366	DHBXZDKZVYTOQB-LBPRGKRZSA-N	266.341	1.105	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@H]2NCC2(C)C)c1	828666218	BWCSXIAAENVEPG-TVQRCGJNSA-N	278.352	1.576	10	20	CDCD	
Cc1ccncc1/C=C/C(=O)N1CCn2nccc21	492783632	QRQGTQDBYNSCSD-NSCUHMNNSA-N	254.293	1.647	10	20	CDCD	
CNC(=O)C[C@@H](C)NCc1cc(C)c(C)cc1O	825067906	HLLSHIVBTKGDGG-LLVKDONJSA-N	250.342	1.623	10	20	CDCD	
CCCCNC(=N)NCc1ccc(OC)cc1O	849024977	HXOGHECKXPYTSA-UHFFFAOYSA-N	251.330	1.815	10	20	CDCD	
C[C@@H](NCc1ccc(N2CCOCC2)cc1)[C@@H](C)C(=O)O	901444921	KGCUUXKOJYQONT-CHWSQXEVSA-N	292.379	1.722	10	20	CDCD	
COCCN(CCC(=O)O)Cc1cc(C)ccc1O	904270300	YZMPBSAQIYNSNV-UHFFFAOYSA-N	267.325	1.624	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCCC[C@@H]1C1OCCO1	732281717	AJCBCTUSCOAKKO-SNVBAGLBSA-N	283.349	1.821	10	20	CDCD	
Nc1ccc(NC(=O)C2(n3cnnn3)CCCCC2)cc1	846662428	QPLUCKGKNBHKPD-UHFFFAOYSA-N	286.339	1.553	10	20	CDCD	
COC/C(C)=C/C(=O)NCc1ccc(N(C)C)cc1	844307748	TUFONKPECISOCI-FMIVXFBMSA-N	262.353	1.962	10	20	CDCD	
COC(=O)[C@@H]1C[C@@H](O)CN(Cc2cc(C)ccc2O)C1	843434041	GYWKOMBIHCKWRI-CHWSQXEVSA-N	279.336	1.056	10	20	CDCD	
C[C@H](Cc1cnc[nH]1)C(=O)NCc1ccc(O)c(O)c1	847590570	ATKZOTCFVQBOJP-SECBINFHSA-N	275.308	1.316	10	20	CDCD	
COc1cc(Br)cc(CN[C@H](C)CN)c1O	841059595	GYJZIPWTAMJDRY-SSDOTTSWSA-N	289.173	1.600	10	20	CDCD	
C[C@@H]1C[C@@H](CN)CN1Cc1ccc(N2CCOCC2)cc1	843056795	AEMIBZTVUVKROJ-ZBFHGGJFSA-N	289.423	1.692	10	20	CDCD	
CNCCCNC(=O)N[C@H](C)c1cc(OC)ccc1O	841914650	HZEAXXVSRHIBEH-SNVBAGLBSA-N	281.356	1.371	10	20	CDCD	
Cn1nc2c(c1C(=O)NCc1ccc(N)cc1)CCCC2	927768888	WLCVYDJMHGXHJE-UHFFFAOYSA-N	284.363	1.811	10	20	CDCD	
O=C1C[C@H](CNCc2cc(F)ccc2O)CN1C1CC1	846070963	BDQVGTCMWBUAPP-SNVBAGLBSA-N	278.327	1.632	10	20	CDCD	
CCCNC(=O)CCN[C@@H](C)c1cccc(OC)c1O	846147659	WZJLZAMSHPQZQB-NSHDSACASA-N	280.368	1.968	10	20	CDCD	
CCCNCCNCc1cc2c(cc1O)OCO2	841046743	MFCXCEFXLIBJHY-UHFFFAOYSA-N	252.314	1.210	10	20	CDCD	
CN(Cc1ccc(N2CCOCC2)cc1)CN1CCC1=O	857228962	JEHAMLYDYCUPEW-UHFFFAOYSA-N	289.379	1.145	10	20	CDCD	
Cc1nccnc1C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1	852792602	YOQVYDZTUCXQFL-CQSZACIVSA-N	299.378	1.281	10	20	CDCD	
CCN(Cc1ccc(N)cc1)[C@H](C)CS(C)(=O)=O	1335284579	DSYBJHAATDSEBJ-LLVKDONJSA-N	270.398	1.524	10	20	CDCD	
C[C@H](NCCN1CC[C@@H](O)C1)c1cc([N+](=O)[O-])ccc1O	858547574	GJBPHMAXGFLTAB-CMPLNLGQSA-N	295.339	1.018	10	20	CDCD	
CON(C)C(=O)[C@H](C)NC(=O)N[C@H](C)c1ccccc1O	868818124	SAAPGVVZJIXXGK-ZJUUUORDSA-N	295.339	1.161	10	20	CDCD	
CN(C)C[C@@H]1CCN(Cc2cc3c(cc2O)OC[C@H]3O)C1	768448671	WDCNPTTUZIFLJZ-XHDPSFHLSA-N	292.379	1.202	10	20	CDCD	
CC[C@H](C)[C@H](NC(C)=O)C(=O)NCc1cc(C)ccc1O	862755388	GKDJZWZKPAQLFO-NHYWBVRUSA-N	292.379	1.868	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@H](C)OC[C@H]2CCCO2)c1	862758866	OTJSRRNHXHUBSV-GXTWGEPZSA-N	293.363	1.901	10	20	CDCD	
COC(=O)[C@@H]1CN(Cc2c(C)cccc2O)CCO1	876688722	MLPICLNBXALTBU-ZDUSSCGKSA-N	265.309	1.074	10	20	CDCD	
Cn1nnc2c1CC[C@@H](NCc1cc(F)cc(F)c1O)C2	883162077	JKFYCNSPUCGRPH-SNVBAGLBSA-N	294.305	1.446	10	20	CDCD	
CC[C@H](NCC(=O)N1CCN(C)CC1)c1ccccc1O	775412491	NJQVOQGATBRNCU-AWEZNQCLSA-N	291.395	1.207	10	20	CDCD	
COCCN1CC[C@H](N[C@H](C)c2c(O)cccc2F)C1	886524788	QYCUUGKTOQVXLH-NEPJUHHUSA-N	282.359	1.903	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C[C@@](C)(O)C(F)F	886093549	BYWCUNKSNGIEGN-CQSZACIVSA-N	286.322	1.968	10	20	CDCD	
OCCCCNCc1ccc(N2CCOCC2)c(F)c1	785531348	HAEGTEOOJBDQQB-UHFFFAOYSA-N	282.359	1.524	10	20	CDCD	
COc1cc(O)c(CN2C[C@@H](O)C[C@H]2C)cc1OC	788268913	INYVAHPWGJCSNW-KOLCDFICSA-N	267.325	1.365	10	20	CDCD	
CCOc1ccc(CN(CCO)C2CCOCC2)c(O)c1	783718288	QDBLUCJRXGHUKB-UHFFFAOYSA-N	295.379	1.764	10	20	CDCD	
CN(C)c1ccc(CNCCSCCCO)cc1	105643836	BETSTFLVIXDHCX-UHFFFAOYSA-N	268.426	1.958	10	20	CDCD	
COc1cc(C)cc(CN[C@H](C)C(=O)NC(C)C)c1O	895001557	PWJYEWZJRYRNFP-LLVKDONJSA-N	280.368	1.712	10	20	CDCD	
Nc1ncc(C(=O)NCc2ccc(O)cc2O)s1	83481375	NRZYZGJYSZIWMU-UHFFFAOYSA-N	265.294	1.067	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NCc2cn(C)cn2)cc1	891606219	HTQFUJISLBDZON-UHFFFAOYSA-N	287.367	1.486	10	20	CDCD	
C[S@@](=O)C1(CNC(=O)c2cc(O)cs2)CC1	799853319	PVHPCFIBGZNOBY-MRXNPFEDSA-N	259.352	1.095	10	20	CDCD	
O=C(O)[C@H]1CC[C@H](C(=O)NCc2ccccc2O)CC1	1608820327	PRUCRXCVKHBMQY-XYPYZODXSA-N	277.320	1.899	10	20	CDCD	
Cc1ccc(O)c(CNS(=O)(=O)CC2CCC2)c1	1329804679	BXPMRWAHTBPAPH-UHFFFAOYSA-N	269.366	1.920	10	20	CDCD	
NC1(CNC(=O)NCc2ccc(N3CC=CC3)cc2)CC1	1337016714	VMRLPXMHYYZGLT-UHFFFAOYSA-N	286.379	1.353	10	20	CDCD	
Cn1c(-c2sccc2O)nnc1N1CCCOCC1	1337958815	WVASEKZPGOYJPB-UHFFFAOYSA-N	280.353	1.476	10	20	CDCD	
C[C@H](NC[C@@H]1CN(C)C(=O)O1)c1ccc(N(C)C)cc1	1347648643	UKFBUWPWSFXVHR-SMDDNHRTSA-N	277.368	1.854	10	20	CDCD	
CC[C@@](C)(CNC(=O)NCc1ccc(N)cc1)OC	1357436183	YFCLOTVSQQQGGP-AWEZNQCLSA-N	265.357	1.883	10	20	CDCD	
O=C(O)[C@@H](NCc1ccccc1O)[C@@H]1CCCOC1	1350610113	DCNAAYIRTQZUJC-YPMHNXCESA-N	265.309	1.362	10	20	CDCD	
Cc1cccc(CN2CCOC[C@H]2CC(=O)O)c1O	1607850516	JILKNLJPFZWNDD-GFCCVEGCSA-N	265.309	1.376	10	20	CDCD	
COC[C@@H]1CCCN(Cc2cc3c(cc2O)OCO3)C1	112960550	ITJHTUUHGVATMA-LLVKDONJSA-N	279.336	1.979	10	20	CDCD	
O=C(O)[C@H]1CCC[C@@H](C(=O)NCc2ccc(O)c(O)c2)C1	1610741389	UWRZWITYPQOPQD-MNOVXSKESA-N	293.319	1.605	10	20	CDCD	
N[C@@H]1CCC[C@H]2CN(C(=O)Cc3ccc(O)c(O)c3)C[C@H]12	1580175915	JTTNVVUOIDWYMA-RWMBFGLXSA-N	290.363	1.226	10	20	CDCD	
CN1CCN(c2ccc(CN(C)CC(=O)O)cc2F)CC1	1598622388	GWZGLVIKFYZOOX-UHFFFAOYSA-N	295.358	1.094	10	20	CDCD	
C[C@@H](NS(=O)(=O)[C@H]1C[C@@H](C(=O)O)C1)c1ccccc1O	1599842792	ZTBXERYRRQBNDE-BBBLOLIVSA-N	299.348	1.236	10	20	CDCD	
CC(C)[C@@H](O)CN[C@@H](C)c1cc(C(=O)O)ccc1O	1593245925	DXEUUICVUWUMAI-ZANVPECISA-N	267.325	1.758	10	20	CDCD	
C[C@@H](CNCc1cc(F)cc(F)c1O)[C@H](F)C(=O)O	1776426415	GSXGTBDFGJTBQH-WKEGUHRASA-N	277.242	1.819	10	20	CDCD	
CCC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	5097793	ZZDAMRNIRQISEN-CQSZACIVSA-N	263.385	1.882	10	20	CDCD	
NC(=O)[C@H]1CCCCN1Cc1cc(Cl)ccc1O	162032815	HYMQWKIPRMBLKR-LLVKDONJSA-N	268.744	1.885	10	20	CDCD	
CC[C@@H](NCCS(C)(=O)=O)c1ccc(N(C)C)cc1	164797213	SRYVUCGKJVKYFF-CQSZACIVSA-N	284.425	1.838	10	20	CDCD	
CCCOc1ccc(CN2CCC[C@@H](C(N)=O)C2)c(O)c1	155030105	PORJMKGNSKHKNS-CYBMUJFWSA-N	292.379	1.878	10	20	CDCD	
CCO[C@@H]1C[C@](N)(C(=O)NCc2ccccc2O)C1(C)C	157717629	LBLPPLDHCHOFCT-CJNGLKHVSA-N	292.379	1.541	10	20	CDCD	
Cc1ccc(CN[C@H](C)C(=O)NC(C)C)c(O)c1	877592227	MKKSNBBUSINWFH-LLVKDONJSA-N	250.342	1.703	10	20	CDCD	
CCCNC(=O)[C@H](C)N[C@@H](C)c1cc(OC)ccc1O	36959688	HMTMSHSYJXZWAS-QWRGUYRKSA-N	280.368	1.966	10	20	CDCD	
C[C@H]1CCC[C@@]1(O)CNCc1cc2c(cc1O)OCO2	292969183	KCIOQQXZFUUKGF-ZUZCIYMTSA-N	279.336	1.762	10	20	CDCD	
NC(=O)C[C@@H]1CCN(Cc2cc(F)ccc2O)C1	367700771	CVHOCZOLJHFHCW-VIFPVBQESA-N	252.289	1.229	10	20	CDCD	
COc1ccc(O)c(CNC(=O)C[C@H](C)OC)c1	114540984	IIRMWESKRZHVGB-VIFPVBQESA-N	253.298	1.442	10	20	CDCD	
CCOc1ccc(O)c(CN2CCN(C[C@@H](C)O)CC2)c1	188724581	MVRAHMAOOMCLBG-CYBMUJFWSA-N	294.395	1.289	10	20	CDCD	
CCOc1ccc(C(=O)NCc2ccc(O)c(O)c2)cn1	182518341	BRWSIGBTUCMIQS-UHFFFAOYSA-N	288.303	1.822	10	20	CDCD	
C[C@H](NCc1c(O)cccc1Cl)[C@@H]1CN(C)CCO1	129234597	QTOJDDIYJIVVAU-HZMBPMFUSA-N	284.787	1.854	10	20	CDCD	
COc1ccc(O)c([C@H](C)NCC(=O)N(C)C)c1	37225383	QDGONNPGLONBHT-VIFPVBQESA-N	252.314	1.140	10	20	CDCD	
Cc1ccc(C(=O)NC[C@@H]2CCCC[C@H]2O)c(O)c1O	182493675	BTSHLKWYWYBPCZ-CMPLNLGQSA-N	279.336	1.687	10	20	CDCD	
Cc1ccc(C(=O)N2CCC[C@@](C)(O)C2)c(O)c1O	182965222	ZVNZVCYQHRHHJN-CQSZACIVSA-N	265.309	1.393	10	20	CDCD	
CNC(=O)[C@@H]1CCCN(Cc2cc(F)ccc2O)C1	180145327	PVGIVOHBLKLMMO-SNVBAGLBSA-N	266.316	1.489	10	20	CDCD	
CCn1ncnc1CN1CCOc2cc(N(C)C)ccc21	193456885	KOMBACBCISDZDR-UHFFFAOYSA-N	287.367	1.763	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@H]2CCn3cncc3C2)cc1	130410345	IMPLBPSMTVEODM-AWEZNQCLSA-N	298.390	1.828	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1ccncc1	274978834	XELRRRVXSKEULK-NSHDSACASA-N	286.331	1.783	10	20	CDCD	
COC[C@@H](CNCc1cc([N+](=O)[O-])ccc1O)OC	272682695	NMJYGQINBMHOSR-LLVKDONJSA-N	270.285	1.051	10	20	CDCD	
CN(C)c1ccc(CNC(=O)C(=O)OC(C)(C)C)cc1	274119790	YNUJPDJGSXTZOM-UHFFFAOYSA-N	278.352	1.711	10	20	CDCD	
O=C1N[C@@H](c2cccc(F)c2O)N2CCSC[C@H]12	272207588	NNQCHOFQMBFCGM-MWLCHTKSSA-N	268.313	1.077	10	20	CDCD	
Oc1ccccc1CNc1cnccc1-n1ccnn1	377398796	CXLHLLNHBSGCDI-UHFFFAOYSA-N	267.292	1.980	10	20	CDCD	
CCN1CCC(NC(=O)c2ccc(C)c(O)c2O)CC1	272649642	JWIMPHZVJKGREW-UHFFFAOYSA-N	278.352	1.620	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCC([C@H]2CCOC2)CC1	375677296	JFDVAQGYQYZMEU-LBPRGKRZSA-N	291.347	1.987	10	20	CDCD	
Cc1ccc(O)c(CN2CCN(C[C@@H](C)O)C[C@H]2C)c1	284438846	SOVZHKZEOPJMBT-ZIAGYGMSSA-N	278.396	1.588	10	20	CDCD	
COCC[C@H](CO)N[C@H](C)c1cc(C)ccc1O	281702444	STTUCNDNAGZJOV-VXGBXAGGSA-N	253.342	1.749	10	20	CDCD	
O=C1O[C@H]2C[C@H]1N(Cc1cc(Cl)cc([N+](=O)[O-])c1O)C2	294738302	GZPFKRRKXXKANP-WCBMZHEXSA-N	298.682	1.454	10	20	CDCD	
CC(=O)C(=O)Cn1nnnc1/C=C/c1ccccc1	808026050	SBTLNBITZQOHPG-BQYQJAHWSA-N	256.265	1.002	10	20	CDCD	
CCn1cc([C@@H](C)NC(=O)c2c(F)ccc(O)c2O)cn1	298096137	BJWGAXWCLORFOG-MRVPVSSYSA-N	293.298	1.944	10	20	CDCD	
CNC(=O)CN(Cc1ccc(N(C)C)cc1)C1CC1	298729010	RJVDMQBDCWXJIG-UHFFFAOYSA-N	261.369	1.463	10	20	CDCD	
CC(C)N(C)C[C@H](C)NC(=O)c1cc(O)cs1	811601024	OYUQFDUTHCGRMX-VIFPVBQESA-N	256.371	1.912	10	20	CDCD	
COc1cccc(CNC(=O)c2cc(C=O)c[nH]2)c1O	815834315	DOQHTUQAGDICSQ-UHFFFAOYSA-N	274.276	1.471	10	20	CDCD	
CC[C@H]1CN(C)CCN1Cc1cc2c(cc1O)OCO2	816660978	XCMRSJXAPRPESB-LBPRGKRZSA-N	278.352	1.647	10	20	CDCD	
COC(=O)CC1(NC(=O)c2cc(O)cs2)CCC1	829773152	NGRUAMXRJSWUSL-UHFFFAOYSA-N	269.322	1.669	10	20	CDCD	
COc1ccc(O)c(CNC(=O)NCc2nc(C)no2)c1	734071308	SKZGFDRHBNOXNA-UHFFFAOYSA-N	292.295	1.092	10	20	CDCD	
O=C(c1c(F)ccc(O)c1O)N1CCO[C@H](C(F)F)C1	831369782	UDDYEZJFMPARRA-QMMMGPOBSA-N	291.225	1.343	10	20	CDCD	
CN1CC[C@]2(CCN(C(=O)c3cc(O)cs3)C2)C1	832810458	CZPSFTKOFYJVIM-ZDUSSCGKSA-N	266.366	1.622	10	20	CDCD	
COc1cccc(O)c1CN1C[C@@H](C(=O)O)[C@H](C2CC2)C1	904429555	KOYACHZQKXXERU-NWDGAFQWSA-N	291.347	1.943	10	20	CDCD	
O=C1[C@@H](NCc2ccccc2O)C[C@H]2CCCCN12	835075698	ZOUIASPWPMMKFI-OLZOCXBDSA-N	260.337	1.635	10	20	CDCD	
CC(C)c1nnc(CNC(=O)Cc2ccc(N)cc2)n1C	832144560	GLDBNVSWASYOMO-UHFFFAOYSA-N	287.367	1.380	10	20	CDCD	
COc1ccc(CNC(=O)C2(C(=O)O)CCCC2)c(O)c1	911719404	UIGSRLBYPUCNJI-UHFFFAOYSA-N	293.319	1.662	10	20	CDCD	
C[C@@H](N)[C@@H](C)C(=O)NCc1c(O)ccc2c1CCCC2	830597519	MPJOGONMPVGTBD-GHMZBOCLSA-N	276.380	1.871	10	20	CDCD	
C[C@H]1CSCCN1C(=O)C(=O)Nc1ccc(N)cc1	841045435	VKLLVPYNFRLZIJ-VIFPVBQESA-N	279.365	1.171	10	20	CDCD	
CCCN(CCC)Cc1cc(O)n2ncc(C(=O)O)c2n1	846232439	WSYXNWGIFPMBLS-UHFFFAOYSA-N	292.339	1.755	10	20	CDCD	
COc1ccc(O)c(CN[C@@H]2CC[C@H](CN)C2)c1	841084594	LLVHSZFROYVUAO-CMPLNLGQSA-N	250.342	1.618	10	20	CDCD	
CC[C@H](C(=O)NCc1ccc(OC)cc1O)[C@@H](C)O	842257028	HEAQFVMRFUMVQW-SKDRFNHKSA-N	267.325	1.424	10	20	CDCD	
C[C@H](NC(=O)NC1CCNCC1)c1ccc(N(C)C)cc1	841882035	GUUFEEIGJBPCBA-LBPRGKRZSA-N	290.411	1.865	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)N[C@@H]1CCCNCC1	841978662	NUKRCPRMCRVXBA-CYBMUJFWSA-N	277.368	1.676	10	20	CDCD	
CN1CCC(CC(=O)NCc2ccc(O)cc2O)CC1	910948809	ASMILBCOMRHQNH-UHFFFAOYSA-N	278.352	1.446	10	20	CDCD	
COC(=O)[C@@H]1CN(Cc2cc(C)ccc2O)C[C@H](C)O1	846060000	QYBQYZKZMGAFJW-FZMZJTMJSA-N	279.336	1.463	10	20	CDCD	
O=C(NCc1cc(Cl)ccc1O)[C@@H]1COCCO1	846471860	BUNUAFBUEJBOKM-NSHDSACASA-N	271.700	1.077	10	20	CDCD	
COc1cc(O)c(CN2CC[C@H]3NCC[C@@H]3C2)cc1OC	843126588	KYOKGEFZRDFVRA-DGCLKSJQSA-N	292.379	1.593	10	20	CDCD	
CCOc1ccc(O)c(CNCCO[C@@H]2CCOC2)c1	922939093	LGGGJPVLCSIKNY-CQSZACIVSA-N	281.352	1.686	10	20	CDCD	
CNC[C@H](C)NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1	851658962	JFIFHBCACMXUGV-RYUDHWBXSA-N	278.400	1.721	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N1C[C@H]2CC[C@H]1[C@H](O)C2	925056921	KYRYYHJFPCEARB-XEYCIXMVSA-N	289.331	1.483	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2C[C@H]3C[C@H]3C2)c1O	862443476	PKBGAJAXMNZDLI-AOOOYVTPSA-N	264.281	1.761	10	20	CDCD	
COCCCOCCC(=O)NCc1cc(C)ccc1O	862753889	KGVVLHFSTHCFTQ-UHFFFAOYSA-N	281.352	1.760	10	20	CDCD	
COc1cc(C(=O)NCc2ccc(O)c(O)c2)ccn1	1116565698	GANAXCSVZGQLEV-UHFFFAOYSA-N	274.276	1.431	10	20	CDCD	
CC[C@@H](O)CCNCc1ccc(N2CCC(O)CC2)cc1	877111980	PVVKNGCJPYDKMH-MRXNPFEDSA-N	292.423	1.898	10	20	CDCD	
COCCCOCC(=O)N[C@H](C)c1ccc(N(C)C)cc1	773021092	RXXGLIHHRKFGNU-CYBMUJFWSA-N	294.395	1.983	10	20	CDCD	
COc1cccc(O)c1CN1CCC(CO)(OC)CC1	775203263	BYNBUCVRZOCEGZ-UHFFFAOYSA-N	281.352	1.374	10	20	CDCD	
CC[C@@H](CO)C(=O)NCc1cccc(OC)c1O	779812387	LCPMRFQXAMEHDL-VIFPVBQESA-N	253.298	1.036	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1cc(N)ccn1	1123524901	UYXITTBTOQYJRJ-UHFFFAOYSA-N	284.363	1.968	10	20	CDCD	
C[C@@H](NC[C@@H](O)C1CCOCC1)c1c(O)cccc1F	886550094	SDYXORFMJUQFAA-QMTHXVAHSA-N	283.343	1.969	10	20	CDCD	
COc1cc(C)cc(CN[C@@H]2CC(=O)N(C(C)C)C2)c1O	894281403	SZIBKKQVVHJRHP-CYBMUJFWSA-N	292.379	1.808	10	20	CDCD	
CC[C@H](C(=O)NCc1ccc(N(C)C)cc1)[C@H](C)O	789944181	MRAYUDPQMOKMIN-FZMZJTMJSA-N	264.369	1.776	10	20	CDCD	
COc1cc(C)cc(CN2CC(=O)NCC2(C)C)c1O	894671456	PUCNIEHHMQJTLO-UHFFFAOYSA-N	278.352	1.420	10	20	CDCD	
CO[C@H]1CCN(Cc2ccc(N3CCN(C)CC3)cc2)C1	1139408651	OJEGQYLCBRFBPT-KRWDZBQOSA-N	289.423	1.659	10	20	CDCD	
C[C@@H](NC(=O)N1CC[C@H]1CO)c1ccc(N(C)C)cc1	894287545	VNSWFNCGALPLGQ-RISCZKNCSA-N	277.368	1.590	10	20	CDCD	
CC(C)NC(=O)[C@@H](C)NCc1cc(F)cc(F)c1O	708518078	ZHFUENFDTAVCLS-MRVPVSSYSA-N	272.295	1.673	10	20	CDCD	
CNC(=O)[C@@]1(C)CCN(Cc2cc(C)cc(OC)c2O)C1	797415328	UPRGGOAMIBRMRO-INIZCTEOSA-N	292.379	1.667	10	20	CDCD	
CC(C)[C@@H](N)CNC(=O)NCc1ccc(N)cc1	1336118332	YKBKCLSEGZRPOY-LBPRGKRZSA-N	250.346	1.051	10	20	CDCD	
Nc1ccc(CCNC(=O)NC[C@H]2CCOC2)cc1	1335588695	JMQFCBAJTFBPHF-GFCCVEGCSA-N	263.341	1.147	10	20	CDCD	
COc1cc(C)cc(CN2CC[C@@](C)(O)C2)c1O	1331528498	HFSRSBKYBPGHHL-CQSZACIVSA-N	251.326	1.666	10	20	CDCD	
CCCN1CCC[C@H]1C(=O)NCc1cccc(O)c1O	1347543238	YYPRWFXQAVAWNH-LBPRGKRZSA-N	278.352	1.588	10	20	CDCD	
O=C(O)CCNC(=O)NCc1cccc(Cl)c1O	1341368249	KSUNBHSZBGZTKE-UHFFFAOYSA-N	272.688	1.320	10	20	CDCD	
O=C(NCc1cccc(O)c1O)[C@@H]1CCc2cccnc21	1352657608	IMAAWUHTQQHUOH-GFCCVEGCSA-N	284.315	1.839	10	20	CDCD	
C[C@H](CC(=O)O)NC(=O)NCc1cc(Cl)ccc1O	1603126991	SWJFIAHPXQNWSQ-SSDOTTSWSA-N	286.715	1.708	10	20	CDCD	
O=C(O)/C=C\c1ccc(N2CCO[C@@H]3C[C@H]32)c([N+](=O)[O-])c1	1608660766	AUKCPZPXMOLQCO-UZMLQMNBSA-N	290.275	1.670	10	20	CDCD	
O=C(O)[C@]1(CNCc2cc(F)cc(F)c2O)CCOC1	1608570027	CSOVTTKYVFBNCH-ZDUSSCGKSA-N	287.262	1.251	10	20	CDCD	
CCOCCCCNC(=O)Cc1ccc(N)cc1	236835811	CIIXNMQMSBHZDY-UHFFFAOYSA-N	250.342	1.744	10	20	CDCD	
COc1ccc(CN[C@H]2C[C@H](C(=O)O)C2)c(O)c1OC	1599573956	SSNBNWUIZNFOIM-MGCOHNPYSA-N	281.308	1.362	10	20	CDCD	
O=C(N[C@@H](Cc1ccncc1)C(=O)O)c1cc(O)cs1	1594717908	CGAIJOQOMLILSS-JTQLQIEISA-N	292.316	1.274	10	20	CDCD	
COc1ccc(O)c(CNC(=O)C2(N(C)C)CCC2)c1	158874401	YCLXLRYBLLNDLK-UHFFFAOYSA-N	278.352	1.501	10	20	CDCD	
C[C@H](C[S@@](C)=O)NCc1c(O)cccc1Cl	164296520	IJFLQCAIDPEGMV-BCTVWOGZSA-N	261.774	1.902	10	20	CDCD	
CCS(=O)(=O)N1CCN(Cc2ccc(C)cc2O)CC1	876563752	CLKKHFRZJONLLZ-UHFFFAOYSA-N	298.408	1.168	10	20	CDCD	
COc1ccc(CN[C@@H](C)c2ncn(C)n2)cc1C	275770922	HAPZBTGTBUZEOR-NSHDSACASA-N	260.341	1.983	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCN(C2CCC2)CC1	279316151	OXLYLLOKWRXOGU-UHFFFAOYSA-N	276.336	1.408	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC[C@H]2CNC(=O)C2)c1	398335613	KITJNPDOUJVTHR-UWVGGRQHSA-N	264.325	1.188	10	20	CDCD	
CN(C)C(=O)[C@H]1CCCN(C(=O)c2cccc(O)c2O)C1	1348254382	ILWCJASOJPHICV-JTQLQIEISA-N	292.335	1.038	10	20	CDCD	
C[C@H](NC[C@@H]1COCCO1)c1ccc(F)cc1O	62747887	MOMOFTPITGHGBL-GXSJLCMTSA-N	255.289	1.597	10	20	CDCD	
Nc1nc(NCCc2ccc(O)c(O)c2)ncc1[N+](=O)[O-]	301603237	WXJPIUPQDCUTKU-UHFFFAOYSA-N	291.267	1.033	10	20	CDCD	
COc1cccc(O)c1CN1CC[C@H](NC(C)=O)C1	817412386	JVRXBLKQAUBCKW-NSHDSACASA-N	264.325	1.111	10	20	CDCD	
COc1cccc(CNC(=O)N[C@H]2CCCOCC2)c1O	181772646	DBTWNCNQEDAVCL-LBPRGKRZSA-N	294.351	1.769	10	20	CDCD	
C[C@@H]1[C@@H](C)[S@@](=O)CCN1Cc1cc2c(cc1O)OCO2	76682387	OHNCEXLXYUDQNC-ODXZIHIVSA-N	297.376	1.462	10	20	CDCD	
CCN(CC(N)=O)Cc1cc(F)cc(C(C)=O)c1O	188464252	IPOIFDJUKBMIBA-UHFFFAOYSA-N	268.288	1.041	10	20	CDCD	
O=C(Cc1cn2ccccc2n1)NCc1ccc(O)c(O)c1	130009101	KZIAQDBDUXLEII-UHFFFAOYSA-N	297.314	1.604	10	20	CDCD	
CCC(CC)N/C=C1\C(=O)NC(=S)N(CC(C)C)C1=O	48392267	JEMITNDMCLRMTM-YRNVUSSQSA-N	297.424	1.548	10	20	CDCD	
CN1CCCc2cc(CNC(=O)CC(C)(C)N)ccc21	237093035	UUVROHJKNIOXAP-UHFFFAOYSA-N	275.396	1.813	10	20	CDCD	
COC(=O)[C@H]1CN(Cc2cc(Cl)ccc2O)CCO1	93082257	GWYXMEHIXTYIAY-GFCCVEGCSA-N	285.727	1.419	10	20	CDCD	
Cn1nccc1NC(=O)c1ccc(C2=S=CC=C2)o1	341150371	UYXNNLKVWILVHI-UHFFFAOYSA-N	273.317	1.891	10	20	CDCD	
CN(C)c1ccc(CNc2nnc(CO)o2)cc1F	275343861	YFBWBXAVWDSWCT-UHFFFAOYSA-N	266.276	1.379	10	20	CDCD	
CCC1(O)CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1	272356637	AYXVBMZDOLWMIC-GQCTYLIASA-N	291.347	1.875	10	20	CDCD	
C[C@H]1OCC[C@]12CN(C(=O)c1cccc(O)c1O)CCO2	279853460	FZPDKXRHXIAQJV-BMIGLBTASA-N	293.319	1.118	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2CCC[C@H](OC)C2)c1O	278178526	GOQQJHAMVSVVRG-NSHDSACASA-N	296.323	1.920	10	20	CDCD	
C[C@@H](NCc1c(O)cccc1Cl)C(=O)NCCF	282734153	RDIZHVAIYZETTK-MRVPVSSYSA-N	274.723	1.609	10	20	CDCD	
CCC[C@H](OC)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	295683064	HKAKLDLRNNKCPT-YGRLFVJLSA-N	281.352	1.960	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N(C)CCC(N)=O	806820328	KIILPBUCBILCDP-UHFFFAOYSA-N	292.383	1.078	10	20	CDCD	
CCOC(=O)[C@@H]1NCC[C@H]1NCc1ccc2c(c1)CCO2	817902819	YPSYGLDCYOZKNQ-UKRRQHHQSA-N	290.363	1.005	10	20	CDCD	
CCNCCCN[C@H](C)c1cc(C(=O)OC)ccc1O	817943231	LODWRZNKLKOMBG-LLVKDONJSA-N	280.368	1.829	10	20	CDCD	
CON(C)C(=O)CCNCc1ccc(N2CC=CC2)cc1	819094867	OGBMGCXBTKMNJN-UHFFFAOYSA-N	289.379	1.562	10	20	CDCD	
O[C@@H](CNCCCSc1nccs1)Cn1cccn1	819064406	WVCSPOHNTBQRDX-NSHDSACASA-N	298.437	1.473	10	20	CDCD	
Cn1ccc(CCC(=O)NCc2ccc(O)c(O)c2)n1	815836087	PMCVZYGYVIMFTJ-UHFFFAOYSA-N	275.308	1.080	10	20	CDCD	
C[C@H](NC(=O)[C@@]1(C)CCNC1=O)c1ccc(N(C)C)cc1	822082977	RFACLFBEZKJOPN-ZBEGNZNMSA-N	289.379	1.456	10	20	CDCD	
COc1ccc(CN[C@H](C)Cn2cncn2)c(O)c1	725849119	IAVOIQSIYJMWIW-SNVBAGLBSA-N	262.313	1.171	10	20	CDCD	
COc1cccc(CN2CCN([C@@H]3CCOC3)CC2)c1O	827119555	NFOULAPZHNGIKT-CQSZACIVSA-N	292.379	1.307	10	20	CDCD	
CCC[C@@H](O)CCNC(=O)c1c(F)ccc(O)c1O	900700131	JOVAOZFVGCJNBQ-MRVPVSSYSA-N	271.288	1.518	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NC2(C(=O)O)CCC2)cc1	908758539	NJXUJJBXHCMEBS-UHFFFAOYSA-N	291.351	1.559	10	20	CDCD	
C[C@@H](NC(=O)CC1COC1)c1ccc(N(C)C)cc1	907493232	PAOPGPITZRPWGO-LLVKDONJSA-N	262.353	1.966	10	20	CDCD	
CCOc1ccc(O)c(CNC[C@]2(C)CCC(=O)N2)c1	835060735	MWCRNEDZHCUVBP-HNNXBMFYSA-N	278.352	1.549	10	20	CDCD	
Cc1n[nH]c(C)c1CNC[C@H](N)c1ccc(N(C)C)cc1	841043436	OINDHGAYQNXSMX-INIZCTEOSA-N	287.411	1.882	10	20	CDCD	
CCOc1ccc(O)c(CNC[C@@H](N)C2CC2)c1	841051560	XMVJNYCXNAMLOT-CYBMUJFWSA-N	250.342	1.618	10	20	CDCD	
CCc1cccc(CN2CCNC(=O)[C@H]2C(C)C)c1O	848886870	XFJIRYBYMFLXQD-CQSZACIVSA-N	276.380	1.911	10	20	CDCD	
Nc1ccc(CCNC(=O)NOC/C=C/Cl)cc1	841912122	UFFYQNQSPFXTIK-LREOWRDNSA-N	269.732	1.795	10	20	CDCD	
Cc1ccc(O)c(CN[C@H](CO)[C@@H]2CCCOC2)c1	840964185	YPMCEIOSKCZTRX-TZMCWYRMSA-N	265.353	1.578	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC[C@@H]1CNCCO1	841100859	MJBPGHMJRZLFQW-HNNXBMFYSA-N	263.385	1.139	10	20	CDCD	
CO[C@H](C)CN(C)c1ccc(OCC(=O)O)cc1	846279973	RKPRWERIRLDLBM-SNVBAGLBSA-N	253.298	1.621	10	20	CDCD	
C[C@H]1CC[C@@H](CNC(=O)NCCc2ccc(N)cc2)O1	841915163	MTPYIOSXHNILMM-FZMZJTMJSA-N	277.368	1.678	10	20	CDCD	
Cc1ccc([C@H](C)NC[C@@H](O)CN(C)C)c(O)c1C	756554803	JEMUODOSNHXXPQ-QWHCGFSZSA-N	266.385	1.582	10	20	CDCD	
COc1ccc(CNC(=O)N[C@H]2C=CCC2)c(O)c1	852508970	SISOOGQVOSBTOE-NSHDSACASA-N	262.309	1.919	10	20	CDCD	
Cc1nn(C)cc1/C=C1/C(=O)NN(c2ccccc2)C1=O	755590611	NZIAGDYXUBZGPB-JYRVWZFOSA-N	282.303	1.190	10	20	CDCD	
C[C@H]1CN(C(=O)Cc2ccc(N)cc2)CC(C)(C)O1	45661138	WSRKGTYHEMRILJ-NSHDSACASA-N	262.353	1.837	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H](C)N(C)C	935945107	KWSOOBGHMWWBPN-JTQLQIEISA-N	271.357	1.444	10	20	CDCD	
CN(Cc1nc(C2CC2)nn1C)c1ccc(N)cc1	863558534	MLRPXFCSHLIQRL-UHFFFAOYSA-N	257.341	1.911	10	20	CDCD	
COC(C)(C)CN(C)Cc1cc2c(cc1O)OC[C@H]2O	768463054	FLXSYLQFQWXTIR-CYBMUJFWSA-N	281.352	1.675	10	20	CDCD	
CCn1nncc1C(=O)NCc1cc(C)ccc1O	862755461	SUYJXFOYHTUCOT-UHFFFAOYSA-N	260.297	1.242	10	20	CDCD	
CCN(C)c1ccc(CN(C)CCC(=O)NC)cc1	773747833	JQRVRCAKENPNER-UHFFFAOYSA-N	263.385	1.711	10	20	CDCD	
CC(C)COC(=O)COC(=O)c1cc(O)cs1	776384220	FCXATSHEZZWNQA-UHFFFAOYSA-N	258.295	1.810	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNc2cnn(C)c2C)c1O	775052165	UCBAQPPTHIVMAN-UHFFFAOYSA-N	292.295	1.963	10	20	CDCD	
CC(C)NC(=O)COC(=O)/C=C/c1ccc(O)c(O)c1	772777488	VTXZVOGXDUNMKV-GQCTYLIASA-N	279.292	1.179	10	20	CDCD	
COc1ccc(CN2CC[C@@H](C)[C@@H]2CO)c(O)c1OC	893908233	UKENHUCVLVAFSV-PWSUYJOCSA-N	281.352	1.612	10	20	CDCD	
CCN1CCCN(Cc2cc(F)cc(F)c2O)CC1=O	894536569	AQVVLAKEWVEKPR-UHFFFAOYSA-N	284.306	1.725	10	20	CDCD	
COCCN(Cc1cc(C)cc(OC)c1O)[C@@H](C)C(N)=O	894006330	SXVKLUNOTWXORZ-NSHDSACASA-N	296.367	1.031	10	20	CDCD	
CC[C@@H](C)[C@H](OC)C(=O)NCCc1ccc(O)c(O)c1	793681302	NQGIDEDMYBYDRB-YGRLFVJLSA-N	281.352	1.818	10	20	CDCD	
CCOCC(=O)NCCCNCc1ccc(OC)c(C)c1	1154332447	CGALKHJFPNFHBF-UHFFFAOYSA-N	294.395	1.636	10	20	CDCD	
Cc1ccc(C(=O)OCC[C@@H]2CCOC2)c(O)c1O	1324709767	NJWBKUFWVIBHFN-JTQLQIEISA-N	266.293	1.990	10	20	CDCD	
C[C@H](NC(=O)NCc1ccc(N)cc1)[C@@H]1CCCNC1	1335535818	AGTQCIAFKZDNAF-WCQYABFASA-N	276.384	1.456	10	20	CDCD	
O=C(Nc1c(Cl)ccc2nonc12)c1cnsn1	1346941270	PRGRKEYGAZGWGE-UHFFFAOYSA-N	281.684	1.980	10	20	CDCD	
CO[C@@](C)(CNC(=O)NCc1ccc(N)cc1)C1CC1	1353405136	ITZHRRPJHPOMHJ-HNNXBMFYSA-N	277.368	1.883	10	20	CDCD	
O=C(O)C1(C(=O)NCc2c(O)cccc2F)CCOCC1	1605931123	UVYQFYCJQYLEJK-UHFFFAOYSA-N	297.282	1.029	10	20	CDCD	
CCOc1ccc(CN(C)C[C@H](C)C(=O)O)c(O)c1	1605690707	NUCNPEBYOKONPZ-JTQLQIEISA-N	267.325	1.943	10	20	CDCD	
Cc1cc(O)c(CN2CCC[C@@H](O)[C@H]2C(=O)O)cc1Cl	1607699155	HKXDXZASFRMJJA-YPMHNXCESA-N	299.754	1.764	10	20	CDCD	
O=C(O)CCCNC(=S)NCc1c(O)cccc1F	1608714882	FDCATFYPNAGLCC-UHFFFAOYSA-N	286.328	1.360	10	20	CDCD	
CCn1cc(NC(=O)NCc2ccc(N)cc2)ccc1=O	1578350588	PWGVDYHCHDKSSH-UHFFFAOYSA-N	286.335	1.772	10	20	CDCD	
C[C@@H]1CCCN(C(=O)Cc2ccc(O)c(O)c2)[C@@H]1C(=O)O	1573728086	WMAOEPKBYQBZFR-OTYXRUKQSA-N	293.319	1.352	10	20	CDCD	
C[C@@H](N[C@H]1CC12CC2)c1cccc(-c2nn[nH]n2)c1O	1589954686	INJPDAVAGZHMTG-KCJUWKMLSA-N	271.324	1.775	10	20	CDCD	
Oc1c(Cl)cc(Cl)cc1CN[C@@H]1CCNC[C@@H]1O	1580886035	VNZVIIHEEABZHQ-MNOVXSKESA-N	291.178	1.511	10	20	CDCD	
CO[C@@]1(C(=O)O)CCN(Cc2cc(C)c(C)cc2O)C1	1599078705	IOGCQSWVQUQBBA-HNNXBMFYSA-N	279.336	1.685	10	20	CDCD	
C[C@@H](CO)NC(=O)NCCCSc1nccs1	152479169	NXRXIMGHJNDWPA-QMMMGPOBSA-N	275.399	1.305	10	20	CDCD	
COC(=O)Cn1cc(CCSc2nccs2)nn1	159645828	KPBLKTAJJLLJBI-UHFFFAOYSA-N	284.366	1.242	10	20	CDCD	
Cc1cccc(O)c1CNCC(C)(C)N1CCOCC1	876892529	QZQJQPSWXONNCO-UHFFFAOYSA-N	278.396	1.901	10	20	CDCD	
Cc1ccc(CN2CC[C@@H](C(=O)N(C)C)C2)c(O)c1	877588613	UNULZOCLBGGJSE-CYBMUJFWSA-N	262.353	1.611	10	20	CDCD	
CCOCCS(=O)(=O)N(C)Cc1ccccc1O	159636089	KACPCDNHTXLWAM-UHFFFAOYSA-N	273.354	1.190	10	20	CDCD	
Cc1cc(OCC(=O)N(C)Cc2ccccc2O)no1	77258310	SIINLGSPLMCLHK-UHFFFAOYSA-N	276.292	1.726	10	20	CDCD	
COC[C@@](C)(O)CN[C@H](C)c1ccc(N(C)C)cc1	382570592	QVZOPCDYCOEEDO-DOMZBBRYSA-N	266.385	1.801	10	20	CDCD	
CCOc1cccc(CNC[C@@H](C)S(C)(=O)=O)c1O	697615205	YLBBRAQMBSZHMX-SNVBAGLBSA-N	287.381	1.314	10	20	CDCD	
C[C@H](C(=O)NCc1ccc(N(C)C)c(F)c1)n1cccn1	58731851	AIQJWSNNNRJFOW-LLVKDONJSA-N	290.342	1.966	10	20	CDCD	
C[C@H](C(=O)NCCCSc1nccs1)n1cncn1	172197572	OPLKECHDQWWIIJ-SECBINFHSA-N	297.409	1.594	10	20	CDCD	
C[C@H](CCO)NC(=O)NCc1ccc(N2CCCC2)cc1	172549257	LSBITJZBPOXRLV-CYBMUJFWSA-N	291.395	1.857	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)[C@@H]2CSCN2)cc1	178712746	GWCYENXJTZDXCA-AWEZNQCLSA-N	293.436	1.812	10	20	CDCD	
COC(=O)[C@@]1(C)CCN(C(=O)NCc2ccc(N)cc2)C1	1346737855	ASWAZXFVDAWCQC-HNNXBMFYSA-N	291.351	1.363	10	20	CDCD	
COCCOCC(=O)N1CCOc2cc(N(C)C)ccc21	173205499	JCBHGSPJQIDDBZ-UHFFFAOYSA-N	294.351	1.141	10	20	CDCD	
COc1cccc(CNCC(=O)NC(C)C)c1O	36781599	FENXFUGWBAPWSY-UHFFFAOYSA-N	252.314	1.015	10	20	CDCD	
c1cnn(CCNCc2ccc(N3CCOCC3)cc2)c1	48449556	WMUCDWSILRUYKP-UHFFFAOYSA-N	286.379	1.510	10	20	CDCD	
COCC[C@@](C)(O)CNCc1c(O)cccc1Cl	227216743	FXRRBYJZLDCHSB-CYBMUJFWSA-N	273.760	1.923	10	20	CDCD	
CCOc1cccc(CN2CCCN(C(N)=O)CC2)c1O	92754107	BVNFETSZPLOJOJ-UHFFFAOYSA-N	293.367	1.377	10	20	CDCD	
CN1C(=O)C(=C/C=C\c2ccc(F)cc2)C(=O)N(C)C1=O	255304709	UEQZSJHNSGJPTL-ARJAWSKDSA-N	288.278	1.816	10	20	CDCD	
CCOC(=O)CCCNC(=O)c1ccc(C)c(O)c1O	267603492	PWPMKDNKGZNWSJ-UHFFFAOYSA-N	281.308	1.479	10	20	CDCD	
CC(C)[C@@H]1OCC[C@@H]1CNC(=O)Cc1ccc(N)cc1	262607619	CDBOFVDTLDMIKF-CJNGLKHVSA-N	276.380	1.989	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCOCC2(CCC2)C1	369140055	OCTVCBHRTVOKCM-UHFFFAOYSA-N	277.320	1.741	10	20	CDCD	
COCCN(CC(OC)OC)c1ccc(OC)c(OC)c1	275513682	XSVCIXGAVGJYJO-UHFFFAOYSA-N	299.367	1.776	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NC1CCOCC1	272497270	SINYIXGKJWUMSB-DUXPYHPUSA-N	263.293	1.406	10	20	CDCD	
CC[C@@H](OC)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	274726042	BBMLSAYYRQUATE-NOZJJQNGSA-N	267.325	1.570	10	20	CDCD	
CC[C@H](NC[C@@H]1CN(C)CCN1C)c1ccc(C)cc1O	280130288	OXYUAJPUBJPOIO-ZBFHGGJFSA-N	291.439	1.987	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)NCC1([S@@](C)=O)CC1	281945450	LPPCLPOUCFROLQ-HXUWFJFHSA-N	296.392	1.445	10	20	CDCD	
Cc1cccc(CNC[C@@H](CO)[C@@H]2CCOC2)c1O	280987082	WQVIZSBCUOCAJM-KGLIPLIRSA-N	265.353	1.435	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)N(C)CC	298773078	QTZZICWXFSNEQH-UHFFFAOYSA-N	278.352	1.609	10	20	CDCD	
COC[C@H](C)[C@H](C)C(=O)NCc1ccc(OC)cc1O	812561426	NJFZSPIGLYMRGQ-QWRGUYRKSA-N	281.352	1.936	10	20	CDCD	
C[C@@H](NC(=O)[C@H]1C[C@]12CCOC2)c1ccccc1O	827941777	YBDJNOFKBIYOEJ-HCKVZZMMSA-N	261.321	1.996	10	20	CDCD	
COc1ccc(O)c(CN2CC[C@@H]3NC(=O)CC[C@@H]3C2)c1	827131779	CFFULGLZQBHZPN-RISCZKNCSA-N	290.363	1.501	10	20	CDCD	
C[C@H]1CCN(C(=O)c2cc(O)cs2)[C@H](C(N)=O)C1	832542732	PABFJOOERMIDBM-CBAPKCEASA-N	268.338	1.180	10	20	CDCD	
CCOCc1cc(CNCC2(N)CC2)ccc1OC	904451216	WUOGJPHFVIYKOJ-UHFFFAOYSA-N	264.369	1.813	10	20	CDCD	
CC(C)(C)[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)O	833425373	YEHYOPVQXFRNOP-VUDGCMKMSA-N	293.319	1.727	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)NCC1(CO)CCCC1	588493841	WGUYRTVITJPSSE-XQRVVYSFSA-N	291.347	1.780	10	20	CDCD	
CN1CCC(C(=O)NCc2ccc(O)cc2O)CC1	910950835	KJFMZCUFWDWKNZ-UHFFFAOYSA-N	264.325	1.056	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCCN1C	748558275	XIHFZZYHULIGJQ-HNNXBMFYSA-N	275.396	1.805	10	20	CDCD	
CC[C@H]1[C@@H](C)CCN1C(=O)C(=O)Nc1ccc(N)cc1	841094425	YYNHWCRMRMUHGZ-GWCFXTLKSA-N	275.352	1.854	10	20	CDCD	
COCCNC(=S)N(C)Cc1ccccc1O	917581777	WSBKTMIDGWBRSN-UHFFFAOYSA-N	254.355	1.345	10	20	CDCD	
CO[C@@H](CC(=O)NCCc1ccc(N)cc1)C(F)(F)F	846665726	NZKSJBXAMLFWHA-NSHDSACASA-N	290.285	1.895	10	20	CDCD	
CN(C)c1ccc([C@@H](N)CNC(=O)c2ccc(N)cn2)cc1	841845636	BWTIPFHZWCKHQY-AWEZNQCLSA-N	299.378	1.160	10	20	CDCD	
COc1cccc([C@H](C)NCC(C)(C)OCCO)c1O	846168370	AIKXWVPXNYOMLC-NSHDSACASA-N	283.368	1.839	10	20	CDCD	
CC[C@H]1CN(C(=O)C(=O)Nc2ccc(N)cc2)C[C@@H](C)O1	841034815	FNHGFHQKPOZGBH-MFKMUULPSA-N	291.351	1.233	10	20	CDCD	
C[C@H](NC(=O)N1CC[C@H](N)C1)c1ccc(N(C)C)cc1	841881607	AGOGXVOIGHIEPP-AAEUAGOBSA-N	276.384	1.556	10	20	CDCD	
NC1(CNCc2cc3c(cc2O)OCO3)CCC1	841050045	DKYKRVLQJYXERX-UHFFFAOYSA-N	250.298	1.092	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc[n+]1[O-]	753642798	FSTNYSWZSFUXRP-JTQLQIEISA-N	288.303	1.092	10	20	CDCD	
CC1CCC(O)(CNC(=O)c2c(F)ccc(O)c2O)CC1	857339706	LGQRULWIBZTZPZ-UHFFFAOYSA-N	297.326	1.908	10	20	CDCD	
C[C@H](CCNC(=O)/C=C/c1ccc(O)c(O)c1)N(C)C	855415442	ICMLLSPWIKIZRL-OKPNEXGHSA-N	278.352	1.567	10	20	CDCD	
CNC[C@H](C)NCc1cc(Cl)cc(OC)c1O	853249097	NEQHSMDVJPIIAF-QMMMGPOBSA-N	258.749	1.752	10	20	CDCD	
CN(C)C(=O)N[C@@H]1CCCN(C(=O)c2cc(O)cs2)C1	854890904	XPRZBEXWKJSGGD-SECBINFHSA-N	297.380	1.330	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)CN(C)C1CCC1	935945424	WNPMOEKLOPGKNB-UHFFFAOYSA-N	297.395	1.978	10	20	CDCD	
CCC[C@H](C)NC(=O)[C@H](C)OC(=O)c1cccc(O)c1O	758562421	RGBGEHZMLGMVOM-UWVGGRQHSA-N	295.335	1.948	10	20	CDCD	
C[C@@H](N)CN(C)C(=O)NCc1ccc(N2CC=CC2)cc1	861590468	SBAGBXQSLVJDPH-CYBMUJFWSA-N	288.395	1.551	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)c2c(C)nn(C)c2C)c1	862760920	YKGZRCSQFXYELC-UHFFFAOYSA-N	273.336	1.981	10	20	CDCD	
CC(=O)c1cc(O)ccc1NS(=O)(=O)N(C)CC1CC1	766047987	OYBUVDXAEODFMV-UHFFFAOYSA-N	298.364	1.593	10	20	CDCD	
Nc1ccc(Cc2noc(-c3noc4c3COCC4)n2)cc1	863656078	MFVOWVOFLUQGIM-UHFFFAOYSA-N	298.302	1.970	10	20	CDCD	
O=[N+]([O-])c1ccc(O)c(CNCCC2CC(O)C2)c1	762502477	FIDDSOOZIKAYNG-UHFFFAOYSA-N	266.297	1.551	10	20	CDCD	
COc1cccc(O)c1CN1CCN(CCCCO)CC1	769396137	JLGMULXMKPMODS-UHFFFAOYSA-N	294.395	1.291	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2C[C@H](O)C[C@@]2(C)CO)c1O	878983748	QFASGOHJJRSPPA-DOMZBBRYSA-N	297.326	1.052	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)c1cncs1	778917065	UMQHKSUVVOZCDE-UHFFFAOYSA-N	250.279	1.484	10	20	CDCD	
Cc1cccc(O)c1CN1CCC(OCCO)CC1	876791572	MTHBDZALCKWYGS-UHFFFAOYSA-N	265.353	1.674	10	20	CDCD	
COC(=O)CN[C@@H](C)c1ccc(N2CCOCC2)cc1	775258758	ATDPCEOFKVGFGG-LBPRGKRZSA-N	278.352	1.347	10	20	CDCD	
Nc1ccc(CCNC(=O)NCCC2CCOCC2)cc1	1118027251	WEDVVZAUMPAXRG-UHFFFAOYSA-N	291.395	1.927	10	20	CDCD	
CN(C)C(=O)CN(Cc1ccccc1O)CC(F)(F)F	770509785	UAUXCQQSYNMSGH-UHFFFAOYSA-N	290.285	1.845	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)NCC(F)F	879759563	RETQBSCROGXIPS-UHFFFAOYSA-N	260.240	1.205	10	20	CDCD	
COC(=O)CN(C(=O)/C=C\c1ccc(O)c(O)c1)C1CC1	779530498	SICRJNRVXCYWBW-CLTKARDFSA-N	291.303	1.275	10	20	CDCD	
CO[C@H](C)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	773006916	GLSLFJUGWWFKEY-GHMZBOCLSA-N	250.342	1.965	10	20	CDCD	
CC[C@@]1(O)CCN(Cc2cc(OC)ccc2O)C1	779218509	FYKLTXHXTVYMJU-CQSZACIVSA-N	251.326	1.748	10	20	CDCD	
CCOC(=O)C1(CNCc2cccc(OC)c2O)CC1	770665543	MHQRSGILQHNZLR-UHFFFAOYSA-N	279.336	1.834	10	20	CDCD	
CCC(=O)c1cn(Cc2cc(F)cc(C(C)=O)c2O)nn1	880996412	VEZSUZIFBRMPEM-UHFFFAOYSA-N	291.282	1.966	10	20	CDCD	
CN(C)CCc1cn(Cc2ccc(N(C)C)cc2)nn1	881270826	AZUCNGLKIYUHBG-UHFFFAOYSA-N	273.384	1.497	10	20	CDCD	
CCOc1cccc(CN2C[C@@H](C)[C@@H](O)C2)c1O	897684050	JXGBVSSGDVOKPB-PWSUYJOCSA-N	251.326	1.604	10	20	CDCD	
CC[C@H](NCc1ccc(OC)c(OC)c1O)[C@H](C)O	894736275	SPPRQYCDAVABON-ONGXEEELSA-N	269.341	1.658	10	20	CDCD	
COc1cccc(CNC(=O)c2cccc(O)c2O)c1O	790632510	OKPIFDFMQGGRCP-UHFFFAOYSA-N	289.287	1.742	10	20	CDCD	
COCCN1CC[C@@H](NCc2cccc(Cl)c2O)C1	271856236	UZRDZSHURSJBBA-GFCCVEGCSA-N	284.787	1.856	10	20	CDCD	
COC(=O)N(C)CCN[C@@H]1CCc2cccc(O)c21	701687089	HLDZYZBGLSDECK-LLVKDONJSA-N	264.325	1.667	10	20	CDCD	
O=C(NCC(F)(F)C(F)F)c1cccc(O)c1O	276838801	MDUSYHYLSVSZJS-UHFFFAOYSA-N	267.178	1.728	10	20	CDCD	
COc1ccc(CNC[C@]2(O)CCN(C)C2)cc1C	702641464	MMMZQYKSBOEZEQ-OAHLLOKOSA-N	264.369	1.160	10	20	CDCD	
CC[C@H](C)NC(=O)CN1CCCc2cc(CN)ccc21	62801562	IGWAGTICVISJLB-LBPRGKRZSA-N	275.396	1.813	10	20	CDCD	
COc1ccc(CNC(=O)c2csnn2)c(O)c1	794382838	JIMQZCIYGMDLCT-UHFFFAOYSA-N	265.294	1.182	10	20	CDCD	
COC(=O)[C@H](CNC(=O)c1cccc(O)c1O)CC(C)C	790776149	FOKNVTIOUPZMEP-JTQLQIEISA-N	295.335	1.663	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCCc2n[nH]cc21	790070340	HIMSHLXLOIYZKY-UHFFFAOYSA-N	259.265	1.414	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@]1(F)CCOC1	1324098428	AQQHBJIALDNAGV-YMTOWFKASA-N	283.299	1.274	10	20	CDCD	
COc1ccc(N2CC[C@H](CN[C@H](C)[C@@H](C)O)C2)cc1	1325853979	INZWLBAERMSZFF-MGPQQGTHSA-N	278.396	1.880	10	20	CDCD	
Nc1ccc(CNC(=O)N[C@@H]2CC[C@H]3CNC[C@H]3C2)cc1	1336909289	OKRYQXAUPJTZSF-GZBFAFLISA-N	288.395	1.456	10	20	CDCD	
Nc1ccc(CNC(=O)NCCOCC2CC2)cc1	1336813146	ZEEQEDSUWYZTLQ-UHFFFAOYSA-N	263.341	1.495	10	20	CDCD	
CC[C@@H](F)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	1346977408	YLELPBFZDOCBJT-WCBMZHEXSA-N	255.289	1.893	10	20	CDCD	
COc1cccc(CN2CCN3C(=O)CC[C@@H]3C2)c1O	211633477	NXXKHUUMBDDFPZ-GFCCVEGCSA-N	276.336	1.207	10	20	CDCD	
C[C@H](N[C@H](C)c1cccc(-c2nn[nH]n2)c1O)C(F)F	1603647953	AJVKGOMSCCYOTD-RQJHMYQMSA-N	283.282	1.877	10	20	CDCD	
Cc1nc(CCN[C@H](C)c2cc(C(=O)O)ccc2O)n[nH]1	1600698089	AZCGGWSUNVAVLF-MRVPVSSYSA-N	290.323	1.410	10	20	CDCD	
CC[C@@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)O	1605028185	OIUYQNKZRGGBPQ-RWCYGVJQSA-N	279.292	1.338	10	20	CDCD	
O=C(O)C1(C(=O)NCc2ccc(O)cc2O)CC=CC1	1605931007	PSKDQNOKBPCANH-UHFFFAOYSA-N	277.276	1.135	10	20	CDCD	
C[C@H](CN[C@H](C)c1cc(C(=O)O)ccc1O)CN(C)C	1604183826	FUEQVVXKSCSZKL-GHMZBOCLSA-N	280.368	1.939	10	20	CDCD	
C[C@@H](CN(C)C)N[C@@H](C)c1cc(C(=O)O)ccc1O	1593352466	AKJPNNCOZRKYEY-UWVGGRQHSA-N	266.341	1.691	10	20	CDCD	
Cn1nccc1[C@H](NCc1ccc(F)c(F)c1O)C(=O)O	1594595498	OWFRAOWMJOHVOT-NSHDSACASA-N	297.261	1.319	10	20	CDCD	
CC[C@H](CCO)N[C@@H](C)c1cc(C(=O)O)ccc1O	1595128102	GTAGILISZWRZFH-GXSJLCMTSA-N	267.325	1.902	10	20	CDCD	
CC(C)[C@H](O)CNCc1ccc(N2CCOCC2)cc1	134700967	GLLVPRUAWYMUFK-MRXNPFEDSA-N	278.396	1.630	10	20	CDCD	
Cc1ccc([C@@H](C)N[C@@H](C)C(=O)N(C)C)c(O)c1	36793762	DWEHATMDEKGMDI-MNOVXSKESA-N	250.342	1.828	10	20	CDCD	
CCN(Cc1cc(F)cc(F)c1O)[C@@H]1CCNC1=O	894664707	YZPWOZPALBWHHL-LLVKDONJSA-N	270.279	1.381	10	20	CDCD	
C[C@@H](CN1CCOCC1)N[C@@H]1CCc2cccc(O)c21	295874842	HFVONIMKGIZYBP-GXTWGEPZSA-N	276.380	1.690	10	20	CDCD	
C[C@H](NC[C@]1(O)CCOC1)c1ccc(N(C)C)cc1	90849198	XHUVHNHPMJETER-SWLSCSKDSA-N	264.369	1.555	10	20	CDCD	
CCc1cccc(CN2CCS(=O)(=O)C[C@@H]2C)c1O	692089205	ASJGSLQRMNIKPV-NSHDSACASA-N	283.393	1.574	10	20	CDCD	
CCOc1cccc(CN[C@H](CO)CC(F)F)c1O	717811657	PJRQOQRQRUSAHM-JTQLQIEISA-N	275.295	1.897	10	20	CDCD	
C[C@H](N[C@@H](CO)C[C@@H]1CCCO1)c1ccccc1O	886667940	KXZMAUIBFZZNQN-XQQFMLRXSA-N	265.353	1.973	10	20	CDCD	
C[C@H](CS(C)(=O)=O)N(Cc1ccccc1O)C1CC1	179575074	UNGQMSRNOPLJAX-LLVKDONJSA-N	283.393	1.790	10	20	CDCD	
COc1ccc(O)c(CN2CCC(C3OCCO3)CC2)c1	180011354	ZZVLAWZUSJZCCY-UHFFFAOYSA-N	293.363	1.986	10	20	CDCD	
CN(CCN1CCCC1=O)Cc1ccc(N(C)C)c(F)c1	124193711	FMLUUIZCNSSCQT-UHFFFAOYSA-N	293.386	1.946	10	20	CDCD	
C[C@@](NC(=O)c1cccc(O)c1O)(C(=O)O)C1CC1	125995045	CYSCCAKMKJIOGI-ZDUSSCGKSA-N	265.265	1.081	10	20	CDCD	
C/C=C/C[C@@H](CO)NC(=O)/C=C/c1ccc(O)c(O)c1	187241763	NSZPQDZNVVCUDW-PGZVQDGXSA-N	277.320	1.554	10	20	CDCD	
CN(CC(=O)NC1CCOCC1)c1ccc2c(c1)OCO2	121402542	LWVJUKGKLJNSEQ-UHFFFAOYSA-N	292.335	1.147	10	20	CDCD	
CC(C)CN(CC(N)=O)Cc1cc(Cl)ccc1O	132893635	BPXQEIRGGBQAKM-UHFFFAOYSA-N	270.760	1.989	10	20	CDCD	
Cc1cc(Br)cc(CN(C)CCO)c1O	132473381	WFXKLRHAAMIDEA-UHFFFAOYSA-N	274.158	1.887	10	20	CDCD	
CC(=O)N1CCCN(Cc2ccc(N(C)C)cc2)CC1	194157022	GORBFUWTZAMBJU-UHFFFAOYSA-N	275.396	1.807	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CNC[C@@H]2CCCO2)cc1	237082501	WFBVNJSNUJQRDR-HNNXBMFYSA-N	291.395	1.137	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NC[C@H]1CCCCO1	272493931	SACRZNAWXDLMKK-HOSRBBHYSA-N	277.320	1.796	10	20	CDCD	
CCc1cc(O)ccc1NS(=O)(=O)c1cn(C)cn1	276893923	NCCOFGISULOOER-UHFFFAOYSA-N	281.337	1.489	10	20	CDCD	
CSC[C@](C)(O)CNC(=O)c1ccc(C)c(O)c1O	271296306	RJCFAOSBEUCULX-CYBMUJFWSA-N	285.365	1.250	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ncn(C)n1	289473641	HOWUSVSILQDICA-UHFFFAOYSA-N	287.367	1.543	10	20	CDCD	
CC[C@@H](CO)N(C)Cc1cc(OC)c(OC)cc1O	294671033	ANGPMQWFLMFKGK-NSHDSACASA-N	269.341	1.612	10	20	CDCD	
C[C@](O)(C(=O)NCCCSc1nccs1)C1CC1	804372025	LTVUGFUEFMLOAV-GFCCVEGCSA-N	286.422	1.903	10	20	CDCD	
CCN(CC)c1ccc(CN2CC(CC(N)=O)C2)cc1	297397641	LBWAOBCSMNCUCA-UHFFFAOYSA-N	275.396	1.840	10	20	CDCD	
C[C@@H](NCC1(CC(N)=O)CC1)c1cc([N+](=O)[O-])ccc1O	817584932	BCZQOGZWQBTYEA-SECBINFHSA-N	293.323	1.607	10	20	CDCD	
CN(CCC(N)=O)Cc1ccc2ccccc2c1O	816609207	VIRUYGVALAANRA-UHFFFAOYSA-N	258.321	1.853	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)CC2(CN)CC2)c1	817996339	AZZOGFOBSHRNCI-JTQLQIEISA-N	278.352	1.707	10	20	CDCD	
CCN(C)c1ccc(Cn2ccnc2-c2nn[nH]n2)cc1	825394450	DIFGLGNVYODRKD-UHFFFAOYSA-N	283.339	1.568	10	20	CDCD	
NC(=O)c1ccc(CNC(=O)c2cc(O)cs2)cc1	732257571	TUJBFVYIEGYQBE-UHFFFAOYSA-N	276.317	1.483	10	20	CDCD	
CN(C)c1ccc([C@H](CN[C@@H]2CCC[C@@H]2N)N(C)C)cc1	902519247	YLGCVVCCQXLAQQ-BBWFWOEESA-N	290.455	1.825	10	20	CDCD	
CN(C)c1ccc([C@H](N)CNC(=O)c2ccon2)cc1	832272660	IILAULIJMNRQLS-GFCCVEGCSA-N	274.324	1.170	10	20	CDCD	
CC(=O)C[C@@H](C)NC(=O)/C=C\c1ccc(O)c(O)c1	588408578	HLYSXTRQONHJCJ-XTULLQBASA-N	263.293	1.595	10	20	CDCD	
C[C@@H]1C[C@H](NC(=O)/C=C\c2ccc(O)c(O)c2)CO1	844107966	UIMLZGMRLYAJMR-PMEPJVLUSA-N	263.293	1.405	10	20	CDCD	
COc1cc(C)cc(CN2CC(=O)N[C@@H](C)C2)c1O	840134838	UDIXARGUZMWOLF-JTQLQIEISA-N	264.325	1.030	10	20	CDCD	
CN(C)c1ccc(CN2CC[C@@H](O)[C@H](CO)C2)cc1F	840974693	FGFGZZGJFWSMFH-SWLSCSKDSA-N	282.359	1.067	10	20	CDCD	
N[C@@H]1CCO[C@H]1C1CCN(Cc2cccc(F)c2O)CC1	843125277	QQKGSJZDUCGVHQ-ZBFHGGJFSA-N	294.370	1.860	10	20	CDCD	
Cc1nc(CN(C)c2ccc(OCC(=O)O)cc2)no1	846280206	VCBBGZDJFQBFTL-UHFFFAOYSA-N	277.280	1.478	10	20	CDCD	
C[C@H]1CN[C@H](C)CN1Cc1cc2c(cc1O)OCO2	843119764	IROLQJLTTCHIBW-ZJUUUORDSA-N	264.325	1.303	10	20	CDCD	
CN1CCN(C(=O)c2c(F)ccc(O)c2O)CC1(C)C	857213213	HSSQFYMQLDALAA-UHFFFAOYSA-N	282.315	1.403	10	20	CDCD	
CC(=O)[C@@H]1CCCCN1C(=O)c1ccc(C)c(O)c1O	854731796	IULRHVANELQYRT-LBPRGKRZSA-N	277.320	1.990	10	20	CDCD	
CC(=O)c1cc(O)ccc1NS(=O)(=O)c1cnn(C)c1	758773114	HOGOQRFPHNFWFD-UHFFFAOYSA-N	295.320	1.129	10	20	CDCD	
Cc1ccc([C@H](C)N[C@@H](C)CC(N)=O)c(O)c1C	756662270	ZNHIRPAPSPTUMK-ONGXEEELSA-N	250.342	1.924	10	20	CDCD	
C[C@@H](NCCN1CCOC[C@H]1C)c1ccc(F)cc1O	756537382	YJTQQANPZQFVJH-VXGBXAGGSA-N	282.359	1.903	10	20	CDCD	
CC[C@](C)(O)C(=O)NCc1cc(OC)ccc1O	934941301	FCRBPVNFJCMCNU-ZDUSSCGKSA-N	253.298	1.178	10	20	CDCD	
CCNC(=O)CN(C)Cc1cc2c(cc1O)CCCC2	768440627	RUTJJMQGFGEZHF-UHFFFAOYSA-N	276.380	1.839	10	20	CDCD	
COc1cccc(CN[C@H](CCO)C2CCOCC2)c1O	763466604	KGTZDXGXTFBPGB-CQSZACIVSA-N	295.379	1.668	10	20	CDCD	
CN(C)c1ccc(CN2CCCNC(=O)C2)cc1F	769114120	HZSTZIXJTPHFOI-UHFFFAOYSA-N	265.332	1.214	10	20	CDCD	
CC(C)Oc1cc(O)ccc1NS(=O)(=O)c1cnc[nH]1	761995253	ISBFJVYUWUPUET-UHFFFAOYSA-N	297.336	1.703	10	20	CDCD	
CC[C@H](OC(=O)c1ccc(C)c(O)c1O)C(=O)OC	762809464	YVLIZJLRACFSMZ-VIFPVBQESA-N	268.265	1.515	10	20	CDCD	
CN1CCc2cc([C@@H]3NC(=O)[C@@H]4CSCCN43)ccc21	765522043	ZSBVKPQYDWGCHQ-UONOGXRCSA-N	289.404	1.225	10	20	CDCD	
CC(=O)N1CCN(Cc2ccc(C)cc2O)[C@@H](C)C1	876748187	XVZALAKAYOKJEY-LBPRGKRZSA-N	262.353	1.753	10	20	CDCD	
Cc1ccc(CN2CCC3(CCNC3=O)CC2)c(O)c1	877782222	NWOSUXFOQPWBQZ-UHFFFAOYSA-N	274.364	1.803	10	20	CDCD	
COc1ccc(CN[C@H](Cc2cnc[nH]2)C(=O)O)cc1C	1119613506	HLHMCFBHGBDNLT-CYBMUJFWSA-N	289.335	1.512	10	20	CDCD	
COC[C@@H]1CCCN1C(=O)/C=C\c1ccc(O)c(O)c1	779527041	BOANXPHZFJGJQR-HWPRWLFBSA-N	277.320	1.748	10	20	CDCD	
C[C@H](N[C@H]1CCCN(C)C1=O)c1c(O)cccc1F	886536729	NTFGLXDKZKTBGF-ONGXEEELSA-N	266.316	1.803	10	20	CDCD	
COCCN1CC[C@@H](N[C@@H](C)c2c(O)cccc2F)C1	886524789	QYCUUGKTOQVXLH-NWDGAFQWSA-N	282.359	1.903	10	20	CDCD	
C[C@H](N[C@@H](C)c1nnnn1C)c1ccc(N(C)C)cc1	786785597	PACKCUCZPDTVME-QWRGUYRKSA-N	274.372	1.688	10	20	CDCD	
COc1ccc(CNC[C@@]2(O)CCO[C@H]2C)c(O)c1OC	894118101	LDGSBUCIKCKOQY-BONVTDFDSA-N	297.351	1.039	10	20	CDCD	
CCN(CC)c1ccc(CNCc2nnn(C)n2)cc1F	785617368	LVRQXJAYQKFPPU-UHFFFAOYSA-N	292.362	1.485	10	20	CDCD	
COc1ccc(CN[C@@H](C)CS(C)(=O)=O)cc1C	78639138	HEPYOOUWUYCBCO-NSHDSACASA-N	271.382	1.526	10	20	CDCD	
CNC(=O)C1CCN(Cc2cccc(OC)c2O)CC1	133342338	KQJDNUIPPXFHNH-UHFFFAOYSA-N	278.352	1.359	10	20	CDCD	
COc1ccc(CNCc2cnc3n2CCC3)c(O)c1	719851808	NUFPZKVFNJLMSG-UHFFFAOYSA-N	273.336	1.833	10	20	CDCD	
CN(C)c1nc(CNC(=O)Cc2ccc(N)cc2)cs1	169044260	NCPUDLZRQJITJH-UHFFFAOYSA-N	290.392	1.650	10	20	CDCD	
CCN[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1	970838274	VZPQKIADTMKPMB-GFCCVEGCSA-N	289.339	1.673	10	20	CDCD	
C[C@H]1CO[C@H](CO)CN1Cc1c(O)ccc(Cl)c1F	792173057	QDJACLMNPSTQAW-IUCAKERBSA-N	289.734	1.766	10	20	CDCD	
CC[C@@H](C)[C@H](OC)C(=O)NCc1ccc(O)c(O)c1	793691048	ZTNDJFPIDTZPQV-RNCFNFMXSA-N	267.325	1.775	10	20	CDCD	
CC[C@H](C(=O)NCc1cc(OC)ccc1O)C(=O)OC	790788126	RFRZEBVGISJAMK-LLVKDONJSA-N	281.308	1.216	10	20	CDCD	
COc1ccc(CNC(=O)C2(O)CCCCC2)c(O)c1	794377856	LOKZLTGUYQTJKZ-UHFFFAOYSA-N	279.336	1.712	10	20	CDCD	
CSc1nsc(NC(=O)c2cccc(O)c2O)n1	790511748	JCWRSLRUHKJSOQ-UHFFFAOYSA-N	283.334	1.924	10	20	CDCD	
CC(=O)NCCC1=CCN(c2nc(C)ncc2C)CC1	1089802274	KCXQFKZMYAWEKR-UHFFFAOYSA-N	274.368	1.756	10	20	CDCD	
COCC1(S(=O)(=O)NCc2cc(C)ccc2O)CC1	1329805878	KLJYGNVKYUGVBQ-UHFFFAOYSA-N	285.365	1.299	10	20	CDCD	
C[C@H](Cc1cnc[nH]1)C(=O)NCc1cccc(O)c1O	1521851310	KIWIKMLHZIOTBC-SECBINFHSA-N	275.308	1.316	10	20	CDCD	
CC[C@@](C)(CC(=O)O)NC(=O)Cc1ccc(N)cc1	1604901517	IALRLYJMIQOPJQ-AWEZNQCLSA-N	264.325	1.571	10	20	CDCD	
Cc1cccc(O)c1CN1CC[C@](F)(C(=O)O)C1	1600542928	BGUGWIDUUPWWBB-CYBMUJFWSA-N	253.273	1.699	10	20	CDCD	
Cc1cccc(CN[C@@H](Cc2cncs2)C(=O)O)c1O	1600532635	XBRZVOIBEIFOFO-LBPRGKRZSA-N	292.360	1.943	10	20	CDCD	
C[C@@H]1CCCN(C(=O)Cc2ccc(O)c(O)c2)[C@H]1C(=O)O	1573728093	WMAOEPKBYQBZFR-YMTOWFKASA-N	293.319	1.352	10	20	CDCD	
CSC[C@@H](CCO)NC(=O)NCCc1ccc(N)cc1	1579369813	CDFFOCFNZSHPCE-CYBMUJFWSA-N	297.424	1.225	10	20	CDCD	
CC(=O)C(=O)CSc1c(C)cccc1-c1nn[nH]n1	1588782817	XHOIVSJOTNLQLS-UHFFFAOYSA-N	276.321	1.425	10	20	CDCD	
CCOc1ccc(O)c(CNCC2(C(=O)O)CC2)c1	1597129910	JKYOASYREDTKCZ-UHFFFAOYSA-N	265.309	1.745	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNCCCCC(=O)O)c1O	1594048886	WYDBAWSKWQBXLX-UHFFFAOYSA-N	298.295	1.654	10	20	CDCD	
CC[C@@H](CO)N[C@@H](C)c1cc(C(=O)O)ccc1O	1597285238	HGOCYYWWIPNMPO-WPRPVWTQSA-N	253.298	1.512	10	20	CDCD	
CCc1cccc(CNC[C@]2(C(=O)O)CCOC2)c1O	1597587302	WOGQESUWLAEXTF-OAHLLOKOSA-N	279.336	1.536	10	20	CDCD	
COc1ccc(O)c(CNCC2([S@@](C)=O)CCC2)c1	281748556	HPKQOBNTSISLGW-LJQANCHMSA-N	283.393	1.792	10	20	CDCD	
COc1cccc(CN[C@@H]2CCN(C3CC3)C2)c1O	44684306	YULFWPIRRORMEO-GFCCVEGCSA-N	262.353	1.727	10	20	CDCD	
Cc1cccc(CN[C@H](CO)C[C@H]2CCCO2)c1O	895749287	QHRUAYUPEFYTPA-UONOGXRCSA-N	265.353	1.720	10	20	CDCD	
COCCNC(=O)N[C@@H](C)c1cc(OC)ccc1O	103593243	QCSJXQBMPZKENC-VIFPVBQESA-N	268.313	1.407	10	20	CDCD	
CCN(CCO)Cc1ccc(N2CCOCC2)c(F)c1	305734668	QWDXCLYFJDDPRK-UHFFFAOYSA-N	282.359	1.477	10	20	CDCD	
Cn1ncnc1NCc1ccc(N2CCOCC2)cc1	182217225	SCCSEOLGMPZRTK-UHFFFAOYSA-N	273.340	1.264	10	20	CDCD	
C[C@H]1C(=O)NCCN1Cc1cc(Cl)ccc1O	123449011	IXICDCDZUOUDAH-QMMMGPOBSA-N	254.717	1.366	10	20	CDCD	
OC[C@@]1(NCc2ccc(N3CCCCC3)cc2)CCOC1	184195392	QASZKMPIWIEIEZ-KRWDZBQOSA-N	290.407	1.918	10	20	CDCD	
COCCOCCNC(=O)N(C)Cc1ccccc1O	79531302	XUNNQAJEHBRKNX-UHFFFAOYSA-N	282.340	1.197	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CC[C@](C)(C(N)=O)C2)c1O	232594915	NKXOUZPBPREPDO-HNNXBMFYSA-N	294.326	1.431	10	20	CDCD	
CCC(=O)N1CCCN(Cc2cccc(OC)c2O)CC1	92187106	PBWYUKLYOZAGNJ-UHFFFAOYSA-N	292.379	1.845	10	20	CDCD	
CCOC[C@H]1CN(C(=O)c2ccc(C)c(O)c2O)CCO1	529899927	WQUMXYFCZZEFGG-LLVKDONJSA-N	295.335	1.284	10	20	CDCD	
CC(=O)NCCCN[C@@H](C)c1cc(C)ccc1O	184921638	OWRUXYPHFSPUDV-NSHDSACASA-N	250.342	1.877	10	20	CDCD	
Oc1c(F)cc(Cl)cc1CNC[C@@H]1COCCN1	530182027	QCHLKZSBHRRUGL-SNVBAGLBSA-N	274.723	1.263	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H](C)C2=CCN(C)CC2)c(O)c1O	272909089	JIWUYKUNGUAVIF-NSHDSACASA-N	290.363	1.786	10	20	CDCD	
CC(=O)N1CCC[C@@H](CNCc2ccc3c(c2)CCO3)C1	279880705	UOJRUIUJNWOURE-HNNXBMFYSA-N	288.391	1.970	10	20	CDCD	
C[C@H]1[C@@H](C)N(Cc2cc(F)ccc2O)CC[S@]1=O	272289814	NZBSDUOICZCKHL-AUSHCKSDSA-N	271.357	1.873	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNCC2(C)OCCO2)c1O	278465705	GFSCYPQGDQYQSH-UHFFFAOYSA-N	298.295	1.162	10	20	CDCD	
Cc1ccc(O)c(CN[C@@H]2CCN(c3cnn(C)c3)C2)c1	377724637	OYMFGTGIFXSMQJ-CQSZACIVSA-N	286.379	1.803	10	20	CDCD	
COc1ccc(O)c(CN[C@@H]2CCO[C@@]3(CCOC3)C2)c1	378452019	FYQFHEABFRCLSC-CJNGLKHVSA-N	293.363	1.829	10	20	CDCD	
O=C(O)C1(NCc2cc([N+](=O)[O-])ccc2O)CCC1	284272895	PVALYYVGSMKVFA-UHFFFAOYSA-N	266.253	1.397	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cnsn1	808095302	XNLPZBPSQNUFSD-UHFFFAOYSA-N	284.337	1.659	10	20	CDCD	
CCCN[C@H](C)C(=O)N1CCOc2cc(N(C)C)ccc21	295022844	CKRINUHHAIGAHH-GFCCVEGCSA-N	291.395	1.866	10	20	CDCD	
O=C1NC[C@H]2CN(Cc3ccc4ccccc4c3O)CCN12	816520052	DXSOUCSWNQUKRV-AWEZNQCLSA-N	297.358	1.755	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@H]1CCc2cncn2C1	816889317	UFJVAAXAYIHUFY-ZDUSSCGKSA-N	285.347	1.810	10	20	CDCD	
CC[C@@H]1CN(C)CCN1Cc1cc(OC)ccc1O	816660486	GEOBAJZDQDYGEB-CYBMUJFWSA-N	264.369	1.927	10	20	CDCD	
NC(=O)[C@@H]1CC[C@H](NCc2cc([N+](=O)[O-])ccc2O)C1	825278498	DECXMNJKJBMUMP-SCZZXKLOSA-N	279.296	1.044	10	20	CDCD	
C[C@@H](O)CCN(C)c1ccc(/C=C\C(=O)O)cc1[N+](=O)[O-]	827795899	FYQDNPGTFMRHHY-AYYIZTPMSA-N	294.307	1.900	10	20	CDCD	
CCN1CCN(CCCNC(=O)c2cc(O)cs2)CC1	731869585	MGFKLIUFNXOABE-UHFFFAOYSA-N	297.424	1.211	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCC[C@@H](N2CCNC2=O)C1	732277496	JJODNAYTDXKJNM-SECBINFHSA-N	295.364	1.084	10	20	CDCD	
CN1CC[C@@H]2CN(C(=O)/C=C\c3ccc(O)c(O)c3)C[C@@H]21	836847747	CZZDGPHWRNEIAG-NZTAEXDXSA-N	288.347	1.274	10	20	CDCD	
O=C(NCc1ccccc1O)NC[C@H]1CCCOC1	748458783	CEHHMTRPNFEQAO-LLVKDONJSA-N	264.325	1.618	10	20	CDCD	
CCC(C)(C)N[C@@H](C)C(=O)NCc1ccc(O)cc1O	910948822	AZECCPFQPIYPNL-JTQLQIEISA-N	280.368	1.881	10	20	CDCD	
C[C@@H]1O[C@H](C)[C@@H](C(=O)NCc2ccc(O)cc2O)[C@H]1C	910954906	AJXZDJQTQJVOMD-RZGXBDKHSA-N	279.336	1.774	10	20	CDCD	
CCCN1CC(=O)N[C@H]1c1cc(Br)ccc1O	840822329	LNDXPWCQEPJZPK-GFCCVEGCSA-N	299.168	1.995	10	20	CDCD	
NC(=O)C1(C(=O)NCc2cc(Cl)ccc2O)CCC1	846471997	FBAHJEHLOBINBV-UHFFFAOYSA-N	282.727	1.317	10	20	CDCD	
CCOCCOCCN(C)c1ccc2c(c1)OCO2	846752652	VCNWWYXVKKDNEF-UHFFFAOYSA-N	267.325	1.905	10	20	CDCD	
CCNCCCNC(=O)NCc1ccc(N(C)C)cc1	841653291	IXWFXMUBKDNIGF-UHFFFAOYSA-N	278.400	1.551	10	20	CDCD	
CCOc1ccc(O)c(CN2CC[C@@H](N)[C@@H](C)C2)c1	843052444	UDJWKNBGRRPBPM-SMDDNHRTSA-N	264.369	1.960	10	20	CDCD	
CNCCCNCc1cc(Cl)cc([N+](=O)[O-])c1O	841041892	JTLXHVFQEXECHF-UHFFFAOYSA-N	273.720	1.653	10	20	CDCD	
CCS(=O)(=O)CCN[C@@H](C)c1cccc(OC)c1O	846148317	ZDXLSMNATPUPKP-JTQLQIEISA-N	287.381	1.486	10	20	CDCD	
C[C@@H](N[C@H]1CCc2c(nnn2C)C1)c1ccccc1O	848565616	YQANBCYRUVYYSU-MNOVXSKESA-N	272.352	1.729	10	20	CDCD	
C[C@H](NC[C@]1(O)CCN(C)C1)c1ccc(Cl)cc1O	841752217	NBITWEQFAKIDFJ-IINYFYTJSA-N	284.787	1.763	10	20	CDCD	
O=C(NCc1cc2n(n1)CCCO2)c1cccc(O)c1O	848097347	FCWUROPWUCDNAH-UHFFFAOYSA-N	289.291	1.007	10	20	CDCD	
COC(=O)N1CC(NCc2ccc3c(c2)CCCO3)C1	921860869	BILHVTGKDIWTCD-UHFFFAOYSA-N	276.336	1.552	10	20	CDCD	
COCc1nn(C)cc1C(=O)NCc1ccccc1O	857472709	XDAGQMLUZDOANI-UHFFFAOYSA-N	275.308	1.202	10	20	CDCD	
COC(=O)/C=C(\C)CN(C)c1ccc2c(c1)OCO2	930093024	HRNLLLYBRFZAQP-UXBLZVDNSA-N	263.293	1.971	10	20	CDCD	
CN1CC(=O)N[C@H]1c1c(O)cccc1Br	864374335	PCDHORPXQXQLKG-SNVBAGLBSA-N	271.114	1.215	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1C(=O)CN(C2CC2)C1=O	777655030	CLOQGPUDZOLSPS-UHFFFAOYSA-N	287.363	1.988	10	20	CDCD	
Cc1ccc(CN2CCC[C@H](N3CCNC3=O)C2)c(O)c1	876624458	FKQGDYBTHPJECJ-AWEZNQCLSA-N	289.379	1.690	10	20	CDCD	
CC(C)N(CC(N)=O)Cc1cc(Cl)cc(F)c1O	775642427	HCXLCCCDSJQNQC-UHFFFAOYSA-N	274.723	1.880	10	20	CDCD	
CC(C)OC(=O)C(C)(C)NC(=O)c1cc(O)cs1	891316372	GXOFUBLMJJKKJO-UHFFFAOYSA-N	271.338	1.914	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)CSCC(C)=O)c1	787447446	ZSKSXWCOYUFYFD-SNVBAGLBSA-N	297.376	1.900	10	20	CDCD	
C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)c1cc(O)cs1	782014186	RIAGHNHLMUNUNK-SNVBAGLBSA-N	298.408	1.371	10	20	CDCD	
O=C(N[C@H](CO)C[C@H]1CCCO1)c1cc(O)cs1	899293883	BZAWTAMSSMXRST-WCBMZHEXSA-N	271.338	1.114	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1C[C@H](O)C[C@@]1(C)CO	895323176	AFMMPUMHHPBVLL-CVEARBPZSA-N	278.396	1.379	10	20	CDCD	
Oc1c(F)cc(F)cc1CNC[C@@H](O)C(F)(F)F	708465506	JABRGZUGRZPIOQ-MRVPVSSYSA-N	271.185	1.683	10	20	CDCD	
C[C@@H](N[C@@H]1CCCCNC1=O)c1ccc(F)cc1O	62746649	AUHOKNXOYCVGFZ-BXKDBHETSA-N	266.316	1.851	10	20	CDCD	
CCc1nnc(NC(=O)c2c(F)ccc(O)c2O)s1	790070196	KFLQVIUMSZWNMO-UHFFFAOYSA-N	283.284	1.903	10	20	CDCD	
CSCC[C@H](N)C(=O)N[C@H](C)c1ccccc1O	870987675	AEKVDGXQRAXPGR-KOLCDFICSA-N	268.382	1.650	10	20	CDCD	
c1cc(N2CCCC2)ccc1CN1CCc2nn[nH]c2C1	1327766829	PYKIRWBOHAGJIV-UHFFFAOYSA-N	283.379	1.963	10	20	CDCD	
Oc1cc2c(cc1CN1CCC[C@@H](CF)C1)[C@@H](O)CO2	1331021320	JOUYLQPDQUXARO-HZMBPMFUSA-N	281.327	2.000	10	20	CDCD	
C[C@H]1CCCCN1C(=O)C(=O)N(C)Cc1ccccc1O	1330892389	QXYADJXLWGKZDA-LBPRGKRZSA-N	290.363	1.752	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@H]2C[C@@H](C(=O)O)C2)c1	1263633244	LQDSKVVVRKCTCG-LPEHRKFASA-N	293.319	1.689	10	20	CDCD	
O=C(NC1CCC(C(=O)O)CC1)c1c(F)ccc(O)c1O	1605743915	MTNUUJKYFCLCDD-UHFFFAOYSA-N	297.282	1.610	10	20	CDCD	
CC(C)(CNC(=O)Nc1ccc(N)cc1)C(=O)O	1603635604	DFFCSADJLRKBHM-UHFFFAOYSA-N	251.286	1.501	10	20	CDCD	
CCOc1ccc(CN2CCO[C@@H](CC(=O)O)C2)c(O)c1	1605692015	VBQVCLUSKCOMSI-ZDUSSCGKSA-N	295.335	1.466	10	20	CDCD	
C[C@@H](NCCn1cccn1)c1cc(C(=O)O)ccc1O	1593286860	YFQXJZCZQBTARJ-SNVBAGLBSA-N	275.308	1.638	10	20	CDCD	
CO[C@](C)(C(=O)O)C(=O)NCc1cccc(Cl)c1O	1593926078	APXNBPKWHFBWKM-LBPRGKRZSA-N	287.699	1.152	10	20	CDCD	
C[C@H](CNCc1cc(F)cc(F)c1O)[C@H](F)C(=O)O	1776426412	GSXGTBDFGJTBQH-LDWIPMOCSA-N	277.242	1.819	10	20	CDCD	
CNCCCN(C)c1cc(OC)c(OC)c(OC)c1	258771824	OCFXDFQVCHNXBG-UHFFFAOYSA-N	268.357	1.758	10	20	CDCD	
Nc1ccc(CN2CCO[C@H]([C@@H]3CCCO3)C2)cc1	1120371070	OOUNCYJAQLNKGS-GJZGRUSLSA-N	262.353	1.649	10	20	CDCD	
Cc1ncc(S(=O)(=O)NCCc2ccc(N)cc2)s1	235971088	YXANZWKOSXHNDN-UHFFFAOYSA-N	297.405	1.555	10	20	CDCD	
CC[C@H](Cn1cc(COc2ccc(N)cc2)nn1)OC	881318289	ZFVFTIHIWQQHDC-CYBMUJFWSA-N	276.340	1.864	10	20	CDCD	
OCC(F)(F)CNCc1cc(F)cc(F)c1O	708486217	PFCVUPBJSOEXEV-UHFFFAOYSA-N	253.195	1.388	10	20	CDCD	
COC[C@@](C)(O)CN[C@H]1CCc2cccc(O)c21	382568219	OXWZXBQWGHHBON-FZMZJTMJSA-N	251.326	1.367	10	20	CDCD	
O=C1CC[C@H](CNCc2cc(Cl)ccc2O)N1	79927564	PEDGLZFQGXVNDO-SNVBAGLBSA-N	254.717	1.414	10	20	CDCD	
Cc1ccc(O)c(CNCCCN2CCCN(C)CC2)c1	113336927	DQHUYZUNEPUWOL-UHFFFAOYSA-N	291.439	1.818	10	20	CDCD	
Cc1ccc(O)c(CN2C[C@H](CO)OC[C@H]2C)c1	305746832	QWEXIQPSDVUXKJ-DGCLKSJQSA-N	251.326	1.282	10	20	CDCD	
COc1ccc2c(c1)CCN2C(=O)C1=CCCNCC1	1341399924	WAZIFJFDNLKZHH-UHFFFAOYSA-N	272.348	1.894	10	20	CDCD	
Cc1cc(C2(C(=O)NCc3cccc(O)c3O)CC2)on1	1349079863	UUACDYBMIPJGGI-UHFFFAOYSA-N	288.303	1.742	10	20	CDCD	
CC(C)(O)CNC(=O)NCc1ccc(N2CCCC2)cc1	171753651	JEMVGTLZRRFJNQ-UHFFFAOYSA-N	291.395	1.857	10	20	CDCD	
C[C@H](NC(=O)CC(C)(C)C)C(=O)NCc1ccc(N)cc1	1346209059	DMAVLQJMYSAGMK-NSHDSACASA-N	291.395	1.826	10	20	CDCD	
COc1ccc(N(C)CC(=O)N2CCOCC2)cc1F	121830341	YJXPDRGTCAKMCF-UHFFFAOYSA-N	282.315	1.129	10	20	CDCD	
Cc1cccc(CNCC(C)(C)S(C)(=O)=O)c1O	124851064	JMJBNGGAOBYNMJ-UHFFFAOYSA-N	271.382	1.613	10	20	CDCD	
COC[C@H](O)CNC1CCN(c2ccc(OC)cc2)CC1	129641409	QDZXLLXEMJKEBO-OAHLLOKOSA-N	294.395	1.261	10	20	CDCD	
CCNC(=O)[C@@H](C)NCc1cc(Cl)ccc1O	36795179	CNPYFGZHKJJLDX-MRVPVSSYSA-N	256.733	1.660	10	20	CDCD	
CCc1nn(C)cc1C(=O)NCc1ccc(O)c(O)c1	182535454	MHAFQHUVMMAUGM-UHFFFAOYSA-N	275.308	1.324	10	20	CDCD	
CO[C@@H](C)CS(=O)(=O)Nc1ccc(O)c(C)c1	193120371	QMHJMTVAMDYCCE-VIFPVBQESA-N	259.327	1.477	10	20	CDCD	
COc1cc(O)c(CN[C@H]2C(=O)NCC[C@@H]2C)cc1OC	195008108	FLIXLCBREGRFPI-LKFCYVNXSA-N	294.351	1.024	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)C[C@H]1CNCCO1	269237960	WCXAYEMGIMCWNV-AWEZNQCLSA-N	292.379	1.509	10	20	CDCD	
Cc1cc(C(=O)NCCC(=O)O)c(C)n1-c1ccccn1	262194384	HFNAVPZZMZXELY-UHFFFAOYSA-N	287.319	1.694	10	20	CDCD	
C[C@@H](O)CN1CCN(Cc2cccc(F)c2O)CC1	276188454	IVLWQFSMPVRBMP-LLVKDONJSA-N	268.332	1.030	10	20	CDCD	
C[C@@H](NCC(C)(C)O)c1cc([N+](=O)[O-])ccc1O	273611467	WEERSVSTYFOGDV-MRVPVSSYSA-N	254.286	1.722	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCC[C@H](N2CCCC2)C1	372314586	FCXYWZOBRQRSLT-LBPRGKRZSA-N	290.363	1.798	10	20	CDCD	
CC(=O)C(=O)CSc1nncn1CCc1cccs1	289620069	LOXPARHNMCFJRW-UHFFFAOYSA-N	295.389	1.833	10	20	CDCD	
CCOc1cccc(CN2CC[C@@H]3CNC[C@@H]32)c1O	385204153	GIKQBLMPMUCULY-YPMHNXCESA-N	262.353	1.585	10	20	CDCD	
NC(=O)NC(=O)c1cccc(NCc2ccccc2O)c1	801736056	SUYIMCXOKFXKKB-UHFFFAOYSA-N	285.303	1.813	10	20	CDCD	
C[C@@H]1C[C@@H](NC(=O)c2c(F)ccc(O)c2O)CCO1	297641989	XWGHSVLQWBQSPU-SFYZADRCSA-N	269.272	1.534	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H]1C[C@H]1OCC	808095201	VRARCIQRYTUSAY-ZYHUDNBSSA-N	284.352	1.919	10	20	CDCD	
C[C@H]1CCCN(CCNC(=O)NCc2ccccc2O)C1	299500443	LQAUSYOBSQYMEF-ZDUSSCGKSA-N	291.395	1.923	10	20	CDCD	
CO[C@@H]1CCOC[C@H]1N[C@@H](C)c1ccc(F)cc1O	724888655	CIOQFOOYFLBVFP-MRCXROJRSA-N	269.316	1.986	10	20	CDCD	
COC[C@@](C)(CO)NCc1cc(Cl)c(C)cc1O	825429840	PMNQJBRQWSSVJU-CYBMUJFWSA-N	273.760	1.841	10	20	CDCD	
COC[C@@H](C)CNC(=O)/C=C\c1ccc(O)c(O)c1	588406178	SABUTLQHJXCBQO-OAQKJQOQSA-N	265.309	1.510	10	20	CDCD	
O=C1O[C@H]2C[C@H]1N(Cc1cccc(Br)c1O)C2	824626011	ROCXXEGGZUFSGD-WCBMZHEXSA-N	298.136	1.654	10	20	CDCD	
CN(C)c1ccc(CNc2cncc(CO)n2)cc1F	902102228	GUUOIMOCYYHGIX-UHFFFAOYSA-N	276.315	1.786	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N1O[C@H]2C=C[C@H]1CC2	831520324	FJWOCWAIWOFRIN-MIJHFWGVSA-N	273.288	1.972	10	20	CDCD	
COc1cc(O)ccc1NS(=O)(=O)N(C)C(C)C	901704730	VQSQHPHBMQBGMG-UHFFFAOYSA-N	274.342	1.398	10	20	CDCD	
C[C@H](O)[C@H]1CCCCN1C(=O)c1cc(O)cs1	831732432	JLQXZADCNHXZFF-WCBMZHEXSA-N	255.339	1.829	10	20	CDCD	
Cn1cnnc1C1CCN(C(=O)c2cc(O)cs2)CC1	732269840	YYQCIMFUIREPTQ-UHFFFAOYSA-N	292.364	1.602	10	20	CDCD	
CN(C)c1ccc([C@@H](N)CNC(=O)c2cccn2C)cc1	832284633	LGDMVLGBBDMGSL-AWEZNQCLSA-N	286.379	1.521	10	20	CDCD	
CC[C@H](O)[C@H](C)C(=O)N(C)Cc1ccccc1O	901053777	RTTLCRKACYFMAI-JQWIXIFHSA-N	251.326	1.758	10	20	CDCD	
CCN(C[C@H](O)Cn1cccn1)c1ccc(OC)cc1	730080227	UIUXFGDWGVCGTB-AWEZNQCLSA-N	275.352	1.779	10	20	CDCD	
CC[C@H](NC(=O)c1cccc(O)c1O)[C@@H](O)C(C)C	839866431	FLLIMFDAGHGIMQ-JQWIXIFHSA-N	267.325	1.623	10	20	CDCD	
CC(=O)N[C@H](CCC(C)C)C(=O)NCc1ccccc1O	830526344	KBHPEVNBHBIZJU-CQSZACIVSA-N	292.379	1.949	10	20	CDCD	
CCOc1ccc(CN(C)[C@@H]2CCNC2)c(O)c1	843049570	QOMSOIRKMMKHQB-GFCCVEGCSA-N	250.342	1.585	10	20	CDCD	
O=C(O)CC[C@@H]1CC[C@H](C(=O)NCc2ccccc2O)O1	911327335	CHNHFGOWHAFOAY-WCQYABFASA-N	293.319	1.421	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](CN)C1CC1	841828568	VMISLMIIITZJGR-OAHLLOKOSA-N	290.411	1.598	10	20	CDCD	
COc1ccc(O)c(CNC(=O)N[C@H](C)[C@@H]2CCOC2)c1	745821260	XJTPLPZZIPKFKF-GHMZBOCLSA-N	294.351	1.625	10	20	CDCD	
COc1ccc(N(C)CCN2C(=O)CCC2=O)cc1OC	920781166	JYGKTFAZAHTKLV-UHFFFAOYSA-N	292.335	1.289	10	20	CDCD	
CCN(C)C(=O)CN[C@@H](C)c1cccc(OC)c1O	846165232	UKOJWUCVSROBOS-JTQLQIEISA-N	266.341	1.530	10	20	CDCD	
CN1CCN(c2ccc(CNC[C@H]3CCN3C)cc2)CC1	922576259	ZNBOZPNXAXTKNS-QGZVFWFLSA-N	288.439	1.232	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NCCC(=O)OC(C)C)c1	858091361	QYHGFLSWTIXCET-UHFFFAOYSA-N	294.351	1.842	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N(C)C2CC(O)C2)cc1	759200825	SJTUBJQWEJIPBE-UHFFFAOYSA-N	277.368	1.417	10	20	CDCD	
O=C(OCC[C@H]1CCCO1)c1cccc(O)c1O	758560520	LZGUPFOCPKFNMU-SECBINFHSA-N	252.266	1.824	10	20	CDCD	
Nc1ccc(CC(=O)NC[C@@H]2CCCCCN2)cc1	1341560681	SJENLUVJCGLGPG-AWEZNQCLSA-N	261.369	1.460	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)C1CCN(C)CC1	935945475	YJGVLHGIQJMLIM-UHFFFAOYSA-N	297.395	1.836	10	20	CDCD	
CC(=O)N1CC[C@@](C)(C(=O)NCc2cc(C)ccc2O)C1	862758266	VCRIJUJZRWQBKU-MRXNPFEDSA-N	290.363	1.575	10	20	CDCD	
CC(C)NC(=O)NC[C@H](N)c1ccc(N(C)C)cc1	866757573	YWTPVLSYMTXBSU-ZDUSSCGKSA-N	264.373	1.460	10	20	CDCD	
COc1cccc(O)c1CN(C)CCN1CCCC1=O	769389262	OVAXDEGMZZWSDO-UHFFFAOYSA-N	278.352	1.455	10	20	CDCD	
C[C@@H](N[C@H](C)c1ccccc1O)C(=O)Nc1ncccn1	879648563	UBUWNNPALYJHBA-GHMZBOCLSA-N	286.335	1.860	10	20	CDCD	
CC[C@@H](C(=O)N(C)c1ccc(N)cc1)N1CCCC1=O	877077446	IHIDIFHDBKOARD-ZDUSSCGKSA-N	275.352	1.633	10	20	CDCD	
CCOC[C@@H](O)CN1CCCc2cc(OC)ccc21	771619708	PKTCWLWGLBZBOW-ZDUSSCGKSA-N	265.353	1.845	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2CCN[C@@H](C)C2)c1O	774821746	ZPUPOHPLGNUROJ-VIFPVBQESA-N	281.312	1.103	10	20	CDCD	
O=C1[C@@H](NCc2cc(F)cc(F)c2O)C[C@H]2CCCCN12	883140067	IGVCBURYFLIZLV-YPMHNXCESA-N	296.317	1.913	10	20	CDCD	
OC[C@@H](CNCc1cc(F)cc(F)c1O)[C@@H]1CCOC1	883109328	MYZBMATZSPLRJO-MWLCHTKSSA-N	287.306	1.405	10	20	CDCD	
COc1cc(O)c(CN2CCC[C@@]2(C)CO)cc1OC	789556577	CTUOMDFXIIIPCI-HNNXBMFYSA-N	281.352	1.756	10	20	CDCD	
CC[C@H](NCc1ccc(OC)c(OC)c1O)[C@@H](C)O	894736273	SPPRQYCDAVABON-KOLCDFICSA-N	269.341	1.658	10	20	CDCD	
COc1ccc(CNC[C@@H]2CN(C(C)=O)CCO2)cc1C	1051382265	YQICCUKYMKIXFJ-OAHLLOKOSA-N	292.379	1.341	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN[C@@H]1C(=O)NCC1(C)C	895322508	UEDGSLQTEHNVHT-CQSZACIVSA-N	275.396	1.675	10	20	CDCD	
Cn1c(O)nc2ccc(NC(=O)c3cccc(O)c3O)cc21	799824410	WPHPIOISIUWNRC-UHFFFAOYSA-N	299.286	1.942	10	20	CDCD	
Cn1cncc1CC(=O)NCc1ccc(N2CCCC2)cc1	791209489	PNPLVJVEKAHTIF-UHFFFAOYSA-N	298.390	1.879	10	20	CDCD	
CC(C)N[C@H]1CCCN(C(=O)c2cccc(O)c2O)C1	790617120	BQZAXHYMUBZIDH-NSHDSACASA-N	278.352	1.700	10	20	CDCD	
CCN(CC(=O)NCc1ccc(OC)cc1O)C1CC1	794377547	JWPHIUCHTSTCFK-UHFFFAOYSA-N	278.352	1.501	10	20	CDCD	
Cc1nnc(CN[C@@H](C)c2cc(F)cc(F)c2O)n1C	1337785464	NJGCXDBKFKWIJM-ZETCQYMHSA-N	282.294	1.958	10	20	CDCD	
COCCN(C)CCCNC(=O)NCc1ccc(N)cc1	1335395379	UVIQQGQQBFTFLS-UHFFFAOYSA-N	294.399	1.036	10	20	CDCD	
COc1cccc(CNC[C@H](C)N(C)C2CC2)c1O	105488007	VTKJRPLBBOUGPE-NSHDSACASA-N	264.369	1.973	10	20	CDCD	
CCOc1cccc(CNC[C@H]2CCCN2C)c1O	227440395	IZVPVKSOGGRFCB-CYBMUJFWSA-N	264.369	1.975	10	20	CDCD	
C[C@@H]1OCC[C@]1(O)CNCc1c(O)cccc1Cl	227968767	HIJWZYUALRXZMT-ZANVPECISA-N	271.744	1.675	10	20	CDCD	
COC[C@H](C)N[C@H](C)c1cc(C(=O)O)ccc1O	1599276593	AJVGUJUHGRAMPK-DTWKUNHWSA-N	253.298	1.776	10	20	CDCD	
COC(=O)CC1(NCc2ccccc2O)CCOCC1	152556680	KCQPLKRNWMFBKZ-UHFFFAOYSA-N	279.336	1.594	10	20	CDCD	
CNC(=O)CCCNCc1ccc2c(c1)CCCO2	921609438	RQOZSCXLAMKPKT-UHFFFAOYSA-N	262.353	1.627	10	20	CDCD	
COCCc1noc(CN(C)c2ccc(OC)cc2)n1	844352913	CKBZVEXHRBAELE-UHFFFAOYSA-N	277.324	1.904	10	20	CDCD	
COCCN(CCOC)Cc1c(C)cccc1O	876526552	XBXMPUBLCUXPKQ-UHFFFAOYSA-N	253.342	1.795	10	20	CDCD	
CNC(=O)N1CCN(Cc2c(C)cccc2O)CC1	876769054	QTRJPMQRJTWASQ-UHFFFAOYSA-N	263.341	1.158	10	20	CDCD	
Oc1c(F)cc(F)cc1CNCCOC[C@@H]1CCCO1	883003072	XTVVJBYJYPMHLN-LBPRGKRZSA-N	287.306	1.956	10	20	CDCD	
CC[C@@H]1CN(Cc2cccc(OC)c2O)CC[C@H]1N	251657117	GVYCIIRBVMDGLD-DGCLKSJQSA-N	264.369	1.960	10	20	CDCD	
Cn1nccc1CCN[C@H]1CCc2cccc(O)c21	381742747	PNFYBTKYNSGXOE-ZDUSSCGKSA-N	257.337	1.945	10	20	CDCD	
C[C@@H]1CC[C@@H](C(=O)O)CN1C(=O)Cc1ccc(N)cc1	397071681	MHNUXCILEXOGKJ-ZYHUDNBSSA-N	276.336	1.523	10	20	CDCD	
CCOc1cccc(CNCc2csnn2)c1O	398294740	RBFVETCELKCMPJ-UHFFFAOYSA-N	265.338	1.932	10	20	CDCD	
CN(Cc1nnc[nH]1)Cc1cccc(Br)c1O	179795137	RWJJFTUPSITXJZ-UHFFFAOYSA-N	297.156	1.905	10	20	CDCD	
Oc1ccc(F)cc1CNCC1(O)CCOCC1	180658371	NCUDHDCPVISIJG-UHFFFAOYSA-N	255.289	1.162	10	20	CDCD	
Cc1ccc(O)c([C@H](C)N[C@@H](C)CN2CCN(C)CC2)c1	185391984	KZVVIQTWJRVYIQ-GJZGRUSLSA-N	291.439	1.987	10	20	CDCD	
COC(=O)[C@@H](NC(=O)c1cccc(O)c1O)C(C)C	126252600	DTDKYFOFJHEHFQ-JTQLQIEISA-N	267.281	1.025	10	20	CDCD	
C[C@H](C[S@@](C)=O)N(C)Cc1ccc(N(C)C)cc1	131182686	RRTLSXVYWLWYBT-XIKOKIGWSA-N	268.426	1.951	10	20	CDCD	
COC[C@H](CNCc1cccc(OC)c1O)OC	227706689	PSUJEJKKDPIXHM-NSHDSACASA-N	255.314	1.152	10	20	CDCD	
CCOc1ccc(O)c(CN2CCS(=O)(=O)CC2)c1	93048134	YLTGTUBBUSZLAE-UHFFFAOYSA-N	285.365	1.021	10	20	CDCD	
CN(C)c1ccc(CNC(=O)C(C)(C)N)cc1F	237056405	PGFZMTDKZSPEAF-UHFFFAOYSA-N	253.321	1.245	10	20	CDCD	
O=C(CCCCc1c[nH]nn1)NCc1ccccc1O	274402282	SPEGZSNNXKNPFP-UHFFFAOYSA-N	274.324	1.540	10	20	CDCD	
Cc1ccc(C(=O)N2CC[S@](=O)[C@H](C)[C@@H]2C)c(O)c1O	272801501	YONKCDMEGCZAPM-AUKWLOTRSA-N	297.376	1.388	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)NCCCCCO)c1	280146585	RGCQRMLAUBRGPJ-LLVKDONJSA-N	281.352	1.992	10	20	CDCD	
CC(=O)NC1CCC(NC(=O)c2cccc(O)c2O)CC1	280748589	XAEZIZFQEPZAJJ-UHFFFAOYSA-N	292.335	1.275	10	20	CDCD	
C[C@H](NCCCn1cc(CO)nn1)c1cc(F)ccc1O	289614709	DGFFMQRWXOQUMN-JTQLQIEISA-N	294.330	1.356	10	20	CDCD	
CC(=O)NCC[C@@H]1CCCN(C(=O)c2cc(O)cs2)C1	807848374	VTRVBBCGDCGWFI-NSHDSACASA-N	296.392	1.832	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CCC(=O)N1C	806870810	UOWWCGOARYQYHL-CQSZACIVSA-N	289.379	1.298	10	20	CDCD	
CCC[C@H](OC(=O)c1cccc(O)c1O)C(=O)OCC	801859242	ZCTCZQZREIZJQC-NSHDSACASA-N	282.292	1.986	10	20	CDCD	
Cc1ccc(C(=O)NCC2=CCCOC2)c(O)c1O	292323263	NWVYKWKWDCOOQE-UHFFFAOYSA-N	263.293	1.483	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cnn(C)c1C	808095370	YYRSTVJCEPYTFQ-UHFFFAOYSA-N	294.351	1.850	10	20	CDCD	
CON(C)C(=O)NCc1ccc(N2CCC(O)CC2)cc1	823543149	QOXDGXCAXOTEBM-UHFFFAOYSA-N	293.367	1.351	10	20	CDCD	
C[C@@H](NC(=O)CC1OCCCO1)c1ccccc1O	827940832	JDGHLODEHUMWSE-SNVBAGLBSA-N	265.309	1.723	10	20	CDCD	
Cc1nc(CN(C)Cc2cc(F)ccc2O)no1	827891865	PDXALYWGXGMHRP-UHFFFAOYSA-N	251.261	1.855	10	20	CDCD	
Cc1cccc(CN[C@@H]2C[C@H]3CCCCN3C2=O)c1O	835072673	HWMHUQKOBNGCQU-ZIAGYGMSSA-N	274.364	1.944	10	20	CDCD	
CCCN1C[C@@H](C(=O)NCc2ccccc2O)CC1=O	839611968	LKBMUICMHGONHZ-LBPRGKRZSA-N	276.336	1.267	10	20	CDCD	
C[C@H](N(C)C(=O)/C=C/c1ccc(O)c(O)c1)C(C)(C)O	836811859	OANGZQPLMKTYMN-PCGIRMHASA-N	279.336	1.729	10	20	CDCD	
Cc1nc(NCc2ccc(N3CCOCC3)c(F)c2)n[nH]1	834475077	KNWIMRNSXJXMRC-UHFFFAOYSA-N	291.330	1.701	10	20	CDCD	
CN(C)c1ccc([C@@H](N)CNC(=O)C[C@H]2CCCO2)cc1	832278243	CDDZTOCQPSWTNH-CABCVRRESA-N	291.395	1.438	10	20	CDCD	
Cc1ccc(C(=O)N2CC[C@H](CF)C2)c(O)c1O	916112757	ADEGMSQJRYEGKT-SECBINFHSA-N	253.273	1.838	10	20	CDCD	
CCO[C@@H]1C[C@H](NC(=O)Nc2ccc(N)cc2)[C@H]1OC	841296026	MTNIXEXYOIYWKN-YNEHKIRRSA-N	279.340	1.583	10	20	CDCD	
NC(=O)c1cccc(CNC(=O)NCc2ccccc2O)c1	748458752	BNEDUWJSAUSYLS-UHFFFAOYSA-N	299.330	1.491	10	20	CDCD	
CCOc1ccc(O)c(CNCCCN2CCNCC2)c1	841030468	SDOQSWLBMNCUEA-UHFFFAOYSA-N	293.411	1.176	10	20	CDCD	
CCN1CCCN(C(=O)c2ccc(C)c(O)c2O)[C@H](C)C1	910285708	ZNLDGYRGLSSPRS-GFCCVEGCSA-N	292.379	1.963	10	20	CDCD	
Oc1ccc(Br)cc1CN[C@@H]1CCCNC1	841043905	YZYXHDGQMRJUIP-LLVKDONJSA-N	285.185	1.996	10	20	CDCD	
Fc1cc(CNCc2ccon2)ccc1N1CCOCC1	747621846	BDZARCRRRXGUIO-UHFFFAOYSA-N	291.326	1.940	10	20	CDCD	
CCOC(=O)Cn1ccc(NC(=O)c2cc(O)cs2)n1	848392026	UFIJPBFNBYGRBL-UHFFFAOYSA-N	295.320	1.466	10	20	CDCD	
CC1(C)[C@@H](O)C[C@H]1NC(=O)NCCc1ccc(N)cc1	841960208	XUGSRNAOTDWUJZ-OLZOCXBDSA-N	277.368	1.270	10	20	CDCD	
C[C@@H](CCO)N(C)C(=O)NCc1ccc(N(C)C)cc1	844781976	LZYVWDILIVGZSG-LBPRGKRZSA-N	279.384	1.665	10	20	CDCD	
C[C@@H](CCCO)CNC(=O)NCCc1ccc(N)cc1	841955857	PVZFWZAUXYWVAI-LBPRGKRZSA-N	279.384	1.519	10	20	CDCD	
COC(=O)[C@H](CC1CC1)NCc1cccc(OC)c1O	840957062	IDPQDOSUEISXAA-LBPRGKRZSA-N	279.336	1.832	10	20	CDCD	
NC(=O)C[C@H]1CCCN(C(=O)c2cc(O)cs2)C1	746708807	AKMLNYLODACTLZ-MRVPVSSYSA-N	268.338	1.181	10	20	CDCD	
COCCNCc1cc(Br)ccc1O	60942014	OALMWHCUAVNLED-UHFFFAOYSA-N	260.131	1.891	10	20	CDCD	
COc1cc(NCc2ccc(N3CCOCC3)cc2)[nH]n1	858231128	NKJIAPPDMGLEPJ-UHFFFAOYSA-N	288.351	1.867	10	20	CDCD	
CCOC(=O)c1nccc(N(C)Cc2ccccc2O)n1	853462400	SZXRZTGUVVYDGR-UHFFFAOYSA-N	287.319	1.995	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)c2cnco2)c1	760131714	AJMRKUINLRFITJ-QMMMGPOBSA-N	262.265	1.880	10	20	CDCD	
CN(CCOCCN)Cc1ccc(N(C)C)cc1	699501895	VNPAPCTYBMSEQH-UHFFFAOYSA-N	251.374	1.160	10	20	CDCD	
C[C@@H](NC(=O)N[C@@H]1CCN(C2CC2)C1)c1ccccc1O	868366711	VMVDXAJUWPGTDP-VXGBXAGGSA-N	289.379	1.989	10	20	CDCD	
CCn1cc(C(=O)C(=O)N[C@H](C)c2ccccc2O)cn1	866160517	BOVDETGFADYUIR-SNVBAGLBSA-N	287.319	1.669	10	20	CDCD	
COC(=O)C[C@@H]1CN(Cc2c(O)cccc2OC)CCO1	769446023	KCNPPCZAUZEHFV-LLVKDONJSA-N	295.335	1.165	10	20	CDCD	
O=C(NCc1c(O)ccc2c1CCCC2)c1cc(O)ncn1	860243094	FPWOECUXYDTIHQ-UHFFFAOYSA-N	299.330	1.697	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@H](O)C(C)(C)C)c1	862758014	LQLZHIRGLQBCFQ-LBPRGKRZSA-N	251.326	1.724	10	20	CDCD	
CCOc1ccc(CN2CCS(=O)(=O)C[C@@H]2C)c(O)c1	769447019	FPTJJSLXQDDSHA-NSHDSACASA-N	299.392	1.410	10	20	CDCD	
COc1ccc(N(C)Cc2cnnn2C)cc1OC	761220513	FCNVWDKEZQOOIT-UHFFFAOYSA-N	262.313	1.469	10	20	CDCD	
Cc1ccc(CN2CCS(=O)(=O)CC[C@@H]2C)c(O)c1	877477407	CXSIWZNHDXXGMI-LBPRGKRZSA-N	283.393	1.710	10	20	CDCD	
Cc1cccc(O)c1CN1CCC(N2CCNC2=O)CC1	876513839	JGRAYVRBUWFADK-UHFFFAOYSA-N	289.379	1.690	10	20	CDCD	
COC(=O)c1cc(CNCc2cc(C)ccc2O)on1	877652900	PQTJBDIYEYFLIY-UHFFFAOYSA-N	276.292	1.765	10	20	CDCD	
COCCOCCC(=O)N(C)c1ccc(N)cc1	877078485	REUJKZSDILGBSH-UHFFFAOYSA-N	252.314	1.285	10	20	CDCD	
Oc1c(F)cc(F)cc1CNC[C@H](O)COCC1CC1	882945943	OQZXXSHNRUXLQV-LBPRGKRZSA-N	287.306	1.548	10	20	CDCD	
CC[C@@H](C(=O)NCc1cccc(O)c1O)N(C)C	1123890539	ZMUSXYJZCSJMMO-JTQLQIEISA-N	252.314	1.054	10	20	CDCD	
COc1ccc(CNCC2(O)CCC2)c(O)c1OC	892952192	ZIRQXFZUFUXLER-UHFFFAOYSA-N	267.325	1.414	10	20	CDCD	
COC(=O)N1CC(C)(NCc2cc(OC)ccc2O)C1	894543418	XUOJJAXRERKCKW-UHFFFAOYSA-N	280.324	1.331	10	20	CDCD	
COc1ccc(CNc2cc(CO)ccn2)c(O)c1OC	894989082	RFWRYEJFMIIPCF-UHFFFAOYSA-N	290.319	1.909	10	20	CDCD	
O=C1CC2(CCN(Cc3ccccc3O)CC2)CN1	272336287	XKUATZCYBQLSSR-UHFFFAOYSA-N	260.337	1.494	10	20	CDCD	
COc1ccc(CNc2cncc(-n3cccn3)n2)c(O)c1	795284146	IQFBLIIMSKRZBL-UHFFFAOYSA-N	297.318	1.989	10	20	CDCD	
CC(=O)N[C@@H](CC(C)C)C(=O)NCc1ccccc1O	704386989	GTJNSKMISIVARZ-ZDUSSCGKSA-N	278.352	1.559	10	20	CDCD	
Cc1nc(COC(=O)/C=C/c2ccc(O)c(O)c2)n[nH]1	795492881	YXBCKIPEKLASSI-HWKANZROSA-N	275.264	1.281	10	20	CDCD	
C[C@@H]1COC[C@@H]1NCc1ccc(N2CCOCC2)cc1	829425457	AHCRSMMKRMYFBR-CJNGLKHVSA-N	276.380	1.648	10	20	CDCD	
CCO[C@@H]1C[C@H](NCc2ccc3c(c2)CCO3)[C@H]1OC	775979204	RTYKAEIRLFOYFN-NUEKZKHPSA-N	277.364	1.904	10	20	CDCD	
C[C@@H](NC(=O)N[C@H]1CCOC1)c1ccccc1O	868434786	HBFHWFYBPHHSET-ZJUUUORDSA-N	250.298	1.541	10	20	CDCD	
COc1cc(Cl)cc(CN2C[C@H]3[C@@H](C2)[C@@H]3C(=O)O)c1O	1607166988	IHSHZDXDLKHCPR-IAZYJMLFSA-N	297.738	1.817	10	20	CDCD	
CO[C@H]1CC[C@@H](NC(=O)NCCc2ccc(N)cc2)C1	1325324369	QPENVJFWVWRQFS-KGLIPLIRSA-N	277.368	1.678	10	20	CDCD	
C[C@@H]1CCCCN1C(=O)C(=O)N(C)Cc1ccccc1O	1330892388	QXYADJXLWGKZDA-GFCCVEGCSA-N	290.363	1.752	10	20	CDCD	
COCC[C@H](NCc1ccc(OC)c(C)c1)C(=O)O	1332223433	PLHKVSSZLCRSCA-LBPRGKRZSA-N	267.325	1.583	10	20	CDCD	
C[C@@H](NC[C@H]1CN(C)C(=O)O1)c1ccc(N(C)C)cc1	1347648642	UKFBUWPWSFXVHR-RISCZKNCSA-N	277.368	1.854	10	20	CDCD	
CC(C)=CCNC(=O)C(=O)N(C)Cc1ccccc1O	1346377357	GCSOFWUOUKODNB-UHFFFAOYSA-N	276.336	1.433	10	20	CDCD	
COc1ccc(O)c(CN2CCC([C@H](C)N)CC2)c1	104140744	FKLZUTQMTKEYLT-NSHDSACASA-N	264.369	1.960	10	20	CDCD	
C[C@]1(C(=O)NCc2cccc(Cl)c2O)CCNC1	1573596201	GAFZPEVFKICVJL-ZDUSSCGKSA-N	268.744	1.661	10	20	CDCD	
CCN1CCc2cc(CNCCOCCC(=O)O)ccc21	1776877349	RWWSABZAPRMFGS-UHFFFAOYSA-N	292.379	1.650	10	20	CDCD	
CN1CCCC[C@H]1C(=O)NCCc1ccc(N)cc1	832659222	UOUWTIJCIIIZKG-AWEZNQCLSA-N	261.369	1.412	10	20	CDCD	
Cc1ccc(CN(C)[C@H]2CCC(=O)N(C)C2)c(O)c1	877648355	FCBJTRAMMMGHHC-ZDUSSCGKSA-N	262.353	1.753	10	20	CDCD	
Oc1cc2c(cc1CNCC[C@@H](O)C1CC1)OCO2	898207080	ZSDNEMUJUKCGMM-LLVKDONJSA-N	265.309	1.372	10	20	CDCD	
CS(=O)(=O)N1CC[C@@H](N[C@H]2CCc3cccc(O)c32)C1	400252920	OSDPLLRAIWBGSC-NEPJUHHUSA-N	296.392	1.003	10	20	CDCD	
Cc1c(C(=O)NCc2ccc(N(C)C)cc2)cnn1C	10433378	OXOVXXWFSPUYMN-UHFFFAOYSA-N	272.352	1.725	10	20	CDCD	
Cc1ccc(C(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)c(O)c1O	182583025	DAIWXOMGYKHBBA-MNOVXSKESA-N	290.363	1.761	10	20	CDCD	
COC[C@@H]1CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1	180778280	KYCMKASGRUEGFB-VUDGCMKMSA-N	291.347	1.996	10	20	CDCD	
COc1cccc(CN(C)CCCN(C)C)c1O	211530028	JPDAVUFSLSJVHL-UHFFFAOYSA-N	252.358	1.784	10	20	CDCD	
CCn1cc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cn1	183478984	KHYNXIAUQAJSLH-JTQLQIEISA-N	289.335	1.675	10	20	CDCD	
C[C@@H](C(=O)N(C)Cc1ccccc1O)N1CCSCC1	133160294	DPYTZQVGJDMLQM-LBPRGKRZSA-N	294.420	1.788	10	20	CDCD	
Nc1ccc(CCNS(=O)(=O)CCCF)cc1	193337737	LZPFAXGMLVFDAN-UHFFFAOYSA-N	260.334	1.090	10	20	CDCD	
CN(Cc1ccccc1O)S(=O)(=O)c1ccccn1	132408991	FFRFAOVNIRDUKD-UHFFFAOYSA-N	278.333	1.608	10	20	CDCD	
CNC(=O)[C@H](C)CN(C)Cc1cc(Cl)ccc1O	93899068	VWBPRTBRLBNJRM-SECBINFHSA-N	270.760	1.860	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)CC(C)(C)O	332659442	CDJFZFQCTVLMNY-UHFFFAOYSA-N	278.352	1.639	10	20	CDCD	
COCCCOCC(=O)N[C@H](C)Cc1ccc(O)c(O)c1	274893195	DIENTNUUEKVSOV-LLVKDONJSA-N	297.351	1.198	10	20	CDCD	
COc1cc(O)c(CN2CCC[C@@](F)(CO)C2)cc1OC	289968661	YYIQRPZJLYTKEG-HNNXBMFYSA-N	299.342	1.706	10	20	CDCD	
Cn1nncc1CNCc1cc(Cl)cc(F)c1O	809783848	NFJQUNFNUAOQLG-UHFFFAOYSA-N	270.695	1.603	10	20	CDCD	
CCOC(=O)c1nc(NC(=O)c2cc(O)cs2)c[nH]1	807398089	JSDRHGNHWMJQKY-UHFFFAOYSA-N	281.293	1.606	10	20	CDCD	
COc1cc(O)c(CN(C)CC(C)(C)CO)cc1OC	294768279	JYTICYQMRPPSFV-UHFFFAOYSA-N	283.368	1.860	10	20	CDCD	
COc1ccc(N2CC[C@@H](CN[C@H](C)C3CNC3)C2)cc1	818614801	GPKBJPDSWRIENP-KGLIPLIRSA-N	289.423	1.719	10	20	CDCD	
CCCN(CC(N)=O)Cc1cc(Cl)c(F)cc1O	816616619	BHORCZKBAKVWOX-UHFFFAOYSA-N	274.723	1.882	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)CC2(CN)CC2)c1	817996341	AZZOGFOBSHRNCI-SNVBAGLBSA-N	278.352	1.707	10	20	CDCD	
C[C@@H](NC(=O)C[C@H]1CCCC(=O)N1)c1ccccc1O	827946792	RZYGHZIBGJFORA-GHMZBOCLSA-N	276.336	1.628	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)[C@@H]2CC(=O)N2)cc1F	826940863	FZQYLCYLQCAXCV-LBPRGKRZSA-N	293.342	1.177	10	20	CDCD	
C[C@@H](N)CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	829003746	PWRROVDAHJQGOL-OCCSQVGLSA-N	292.379	1.637	10	20	CDCD	
CC1(C)CN[C@@H]1C(=O)NCCCSc1nccs1	829528293	OAVVNRYRLNINHI-SECBINFHSA-N	285.438	1.740	10	20	CDCD	
CCOC(=O)[C@H](C(=O)NCc1ccccc1O)C(C)C	821060113	CWUHYAYMLXCGST-ZDUSSCGKSA-N	279.336	1.844	10	20	CDCD	
C[C@H]1C[C@H](C(=O)NCc2ccc(O)cc2O)CO1	910947694	JWGWMXUIEMLKKZ-WPRPVWTQSA-N	251.282	1.139	10	20	CDCD	
C[C@@]1(CNCc2cc(Cl)ccc2O)CCC(=O)N1	835060325	KBMIHARLJBCTMC-ZDUSSCGKSA-N	268.744	1.804	10	20	CDCD	
COc1ccc(CNC(=O)Cc2nnc(C)s2)c(O)c1	846951551	XCYWXZUGRSTHIF-UHFFFAOYSA-N	293.348	1.420	10	20	CDCD	
O=C1O[C@H]2C[C@H]1N(Cc1c(O)ccc3ccncc13)C2	840111697	TZAGALSJEHBEMX-GXFFZTMASA-N	270.288	1.440	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@]2(C)CCCN2)c1	843489965	ULVWGWVSWIXSEN-BMIGLBTASA-N	278.352	1.720	10	20	CDCD	
CN1CCCc2cc(CNC(=O)N[C@H]3CCNC3)ccc21	841760693	YLEOXXFAFORDSM-AWEZNQCLSA-N	288.395	1.230	10	20	CDCD	
CN(C)c1ccc(CN2CC[C@@H]3CNC[C@@H]32)cc1F	841026447	CDJKCPOSRFRSMF-DOMZBBRYSA-N	263.360	1.685	10	20	CDCD	
COc1cccc([C@H](C)NCCN2CCC2)c1O	846157113	JTFWFWLFMRRHPT-NSHDSACASA-N	250.342	1.757	10	20	CDCD	
COc1cccc([C@H](C)NCCCC(=O)N(C)C)c1O	846142968	XKCWILYGJJKZTE-NSHDSACASA-N	280.368	1.920	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNCCS(=O)(=O)N(C)C	840948917	ZOCLOAHFLHMBBT-UHFFFAOYSA-N	299.440	1.042	10	20	CDCD	
CCc1cccc(CN2CCC[C@@H](S(N)(=O)=O)C2)c1O	848903516	VDADJXZTWUVVJZ-CYBMUJFWSA-N	298.408	1.208	10	20	CDCD	
C[C@@H](NCc1ccc(C(N)=O)nc1)c1cc(F)ccc1O	756641707	YGWKQGXTJMFTKQ-SECBINFHSA-N	289.310	1.876	10	20	CDCD	
CNC[C@@H](C)N[C@H](C)c1cc(C(=O)OC)ccc1O	854232528	SDOLZRFNHIJQHK-NXEZZACHSA-N	266.341	1.437	10	20	CDCD	
O=C(C[C@H]1CCC(=O)N1)NCc1cc(Cl)ccc1O	855022786	JCZCZBZQPKDXSV-SNVBAGLBSA-N	282.727	1.331	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)CCn2ccnc2)c1	862760845	WILTYGWLUSOVCR-UHFFFAOYSA-N	259.309	1.604	10	20	CDCD	
OCC(F)(F)CNCc1cc(Cl)cc(F)c1O	768533459	RTZGEZZMCWSHPK-UHFFFAOYSA-N	269.650	1.902	10	20	CDCD	
COC/C=C/C(=O)NCc1ccc(N(C)C)c(F)c1	865051754	ULCLBYNVAFFEIU-SNAWJCMRSA-N	266.316	1.711	10	20	CDCD	
COC1(OC)CCOC[C@@H]1NCc1ccc(N(C)C)cc1	931676016	SROXOZHPCHSGEE-HNNXBMFYSA-N	294.395	1.620	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)c2c(C)nc(N)nc2C)c1	862757984	KYPQKXKYQZWNPC-UHFFFAOYSA-N	286.335	1.620	10	20	CDCD	
C[C@H]1CCN(C(=O)C(=O)N(C)Cc2ccccc2O)[C@@H]1C	1117904693	IXHXAEKOLSOXGV-NWDGAFQWSA-N	290.363	1.608	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2cnc3[nH]nnc3c2)cc1	771502777	UHOOJUOBUDJRDH-UHFFFAOYSA-N	296.334	1.349	10	20	CDCD	
C[C@@H]1CC[C@@H](C)N1CC(=O)NCc1ccc(O)c(O)c1	778924209	SZAPMKUPZICXNA-GHMZBOCLSA-N	278.352	1.587	10	20	CDCD	
CCN1CCC(N(C)C(=O)c2ccc(C)c(O)c2O)CC1	770484185	AYLXRVGMWHBZIA-UHFFFAOYSA-N	292.379	1.963	10	20	CDCD	
CCNC(=O)N1CC[C@@H](N[C@@H](C)c2c(O)cccc2F)C1	886551811	OYCNFBQMYGHZNO-WDEREUQCSA-N	295.358	1.986	10	20	CDCD	
Cc1ccc(C(=O)N2CCO[C@@H](C(C)C)C2)c(O)c1O	781021064	OLEINOJOIAJMTI-GFCCVEGCSA-N	279.336	1.903	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@H]2COC[C@H]2C)c1O	896734818	XJTLVXUOKJSEHM-SCZZXKLOSA-N	282.296	1.434	10	20	CDCD	
CCn1ccnc(NCCc2ccc(O)c(O)c2)c1=O	91013817	KWBLMYBEAHFJOW-UHFFFAOYSA-N	275.308	1.329	10	20	CDCD	
COc1cc(C)cc(CN2CCC(CO)(OC)CC2)c1O	894578515	MWDOSFCMYOMVIJ-UHFFFAOYSA-N	295.379	1.683	10	20	CDCD	
Oc1ccc(Cl)c(F)c1CNCc1nnnn1C1CC1	790971193	RAEMIQRTTCSESM-UHFFFAOYSA-N	297.721	1.796	10	20	CDCD	
COC(=O)[C@@H](NCc1ccc(N(C)C)cc1)C1CC1	789573782	OQQFIMLGMUGUTN-AWEZNQCLSA-N	262.353	1.794	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@]1(F)CCOC1	1324060946	LBBLJUCUQCRFHO-OAHLLOKOSA-N	280.343	1.840	10	20	CDCD	
CC[C@@H]1CN(C(=O)NCc2ccc(N)cc2)[C@@H](C)CO1	1337019749	UHVDRDYIFMPTFQ-SMDDNHRTSA-N	277.368	1.978	10	20	CDCD	
C[C@@H]1CSC[C@@H]1NC(=O)NCc1ccc(N)cc1	1335524354	CDNJCHIWRGAOSV-SKDRFNHKSA-N	265.382	1.820	10	20	CDCD	
Nc1ccc(CNC(=O)N2CC[C@]3(CCOC3=O)C2)cc1	1346740250	ZQOOPJBYJVBJPX-HNNXBMFYSA-N	289.335	1.117	10	20	CDCD	
Cc1ccc(O)c(CNS(=O)(=O)C[C@@H]2CCCCO2)c1	1351393787	IUKWTHCCPYPZGJ-ZDUSSCGKSA-N	299.392	1.689	10	20	CDCD	
Nc1ccc(CN2CCNC[C@H]2c2ccncc2)cc1	1356083404	ONJBWOQGSGCCBX-INIZCTEOSA-N	268.364	1.810	10	20	CDCD	
O=C(O)CN(CC[N+](=O)[O-])Cc1cc(Cl)ccc1O	1602056207	KCFPAHOZUBGIAH-UHFFFAOYSA-N	288.687	1.209	10	20	CDCD	
CC1(C)C[C@@]1(C(=O)O)C(=O)NCc1ccc(O)c(O)c1	1603320710	LVDWJBFOKOKOSB-AWEZNQCLSA-N	279.292	1.215	10	20	CDCD	
O=C(O)[C@@H]1C[C@H](O)CN(Cc2cccc(Cl)c2O)C1	1601769633	PHMWJPKHWBWJML-ZJUUUORDSA-N	285.727	1.313	10	20	CDCD	
C[C@@H](CCCN)N[C@H](C)c1cc(C(=O)O)ccc1O	1604131665	BJOVOMYTAGULDJ-VHSXEESVSA-N	266.341	1.868	10	20	CDCD	
COC(=O)CCCN(C)c1ccc2c(c1)OCO2	121293642	GSJQRERHTYDIFI-UHFFFAOYSA-N	251.282	1.805	10	20	CDCD	
CCOC(=O)C1(S(=O)(=O)Oc2ccc(N)cc2)CCC1	1577928286	OCSQHMVNDZCMIC-UHFFFAOYSA-N	299.348	1.463	10	20	CDCD	
CC1(N)CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1	1576530121	CRHPXFUZSLELDM-UHFFFAOYSA-N	289.339	1.802	10	20	CDCD	
COC(=O)c1cccc(CC(=O)NCc2ccc(N)cc2)c1	1578874415	ACUGOBRYLOGNNU-UHFFFAOYSA-N	298.342	1.914	10	20	CDCD	
N[C@@H]1CC[C@H](CNC(=O)NCc2c(O)cccc2F)C1	1580388547	LRMGPJVKQVEKRX-VHSXEESVSA-N	281.331	1.458	10	20	CDCD	
CN(C)c1ccc(CN[C@@H]2C[C@@]3(C(=O)O)C[C@@H]23)cc1	1777040186	JFGOVKYPSGGTIX-GUTXKFCHSA-N	260.337	1.705	10	20	CDCD	
O=Cc1ccc(C(=O)NCCc2ccc(O)c(O)c2)[nH]1	157819064	ONPZPQVNELHUDK-UHFFFAOYSA-N	274.276	1.211	10	20	CDCD	
Cc1cnn(CCC(=O)NCCc2ccc(O)c(O)c2)c1	156607643	GCTNQDFUCRMEAE-UHFFFAOYSA-N	289.335	1.352	10	20	CDCD	
O=C(N[C@H]1CCN2CCC[C@@H]2C1)c1cccc(O)c1O	126499389	DLSIPVMDNBRKSP-WDEREUQCSA-N	276.336	1.454	10	20	CDCD	
C[C@@H](NC(=O)[C@@H]1CCC(=O)NC1)c1ccccc1O	827930902	UHPNLFGVMXZRIM-NXEZZACHSA-N	262.309	1.096	10	20	CDCD	
COc1ccc(N2CCN(CCOC3CC3)CC2)cc1	929153110	PIWCHRUTIZVPLI-UHFFFAOYSA-N	276.380	1.996	10	20	CDCD	
CN(CC1(O)CCCC1)C(=O)c1cccc(O)c1O	159533536	BKDCQHRYBOWACT-UHFFFAOYSA-N	265.309	1.475	10	20	CDCD	
CC(C)[C@](C)(O)CNCc1cc2c(cc1O)OCO2	171842865	QQBHAHLKVXMVOF-CQSZACIVSA-N	267.325	1.618	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC[C@@]2(O)CCSC2)c1	185638687	KOMBBFOKVMFHOA-YGRLFVJLSA-N	283.393	1.919	10	20	CDCD	
COC[C@@H](O)CNCc1ccc2c(c1)CCCN2C	71264281	HHDKVHFBNXCFOJ-AWEZNQCLSA-N	264.369	1.166	10	20	CDCD	
Oc1cccc2c1[C@@H](NCCCn1cncn1)CC2	381701045	OUSQLOQSEGBIHB-LBPRGKRZSA-N	258.325	1.651	10	20	CDCD	
COCC(COC)N[C@@H]1CCc2cccc(O)c21	388453061	ZDFHYNQIMPKAJG-GFCCVEGCSA-N	251.326	1.631	10	20	CDCD	
Cc1cc(NC(=O)CN(C)Cc2ccccc2O)no1	109771853	SCYTXFQJERTLQX-UHFFFAOYSA-N	275.308	1.759	10	20	CDCD	
CO[C@]1(CNCc2cc(Cl)ccc2O)CCOC1	122879351	OICNORIMGNBTRM-ZDUSSCGKSA-N	271.744	1.941	10	20	CDCD	
Cc1ccc(O)c([C@@H](C)NC[C@]2(O)CCOC2)c1	186177563	ZFWRFAQUJIQDOK-BXUZGUMPSA-N	251.326	1.503	10	20	CDCD	
CCOc1cccc(CN(C)CCN(C)C)c1O	211485501	QBVHQECCGQGYFD-UHFFFAOYSA-N	252.358	1.784	10	20	CDCD	
CN1CCCc2cc(CNC(=O)CC3(N)CCC3)ccc21	237128155	WHHXQFDCUKHOEY-UHFFFAOYSA-N	287.407	1.957	10	20	CDCD	
CCOC(=O)CN(Cc1cccc(OC)c1O)C1CC1	91773126	DEPPYVBIQGWXQP-UHFFFAOYSA-N	279.336	1.928	10	20	CDCD	
CC(C)CS(=O)(=O)NCc1ccc(N(C)C)c(F)c1	263731420	YDYHVZMISNPDBD-UHFFFAOYSA-N	288.388	1.967	10	20	CDCD	
Oc1c(F)cccc1CN[C@@H]1C[C@H]2CC[C@H]1NC2	530245936	IDGMAZYHJFCSCP-OASPWFOLSA-N	250.317	1.761	10	20	CDCD	
Cc1ncn(CC(=O)NCc2ccc(N(C)C)cc2)c1C	269680007	ZPFGRDLRNMCSTR-UHFFFAOYSA-N	286.379	1.882	10	20	CDCD	
C[C@H](NCc1ccc(N(C)C)c(F)c1)C(=O)N(C)C	276612983	FXUHKVUOHUYSHO-JTQLQIEISA-N	267.348	1.458	10	20	CDCD	
Oc1cc2c(cc1CN1CCC[C@@H]1c1ncon1)OCO2	360156389	CTJWWQSVXCKUMW-SNVBAGLBSA-N	289.291	1.841	10	20	CDCD	
O=C(NCCSCCCO)c1c(F)ccc(O)c1O	276645730	VUAFYAXAKXNPAK-UHFFFAOYSA-N	289.328	1.082	10	20	CDCD	
CC(C)Oc1ccc(N(C)Cc2nc(=O)[nH][nH]2)cc1	277237689	PFLJTIYXRRZFSW-UHFFFAOYSA-N	262.313	1.522	10	20	CDCD	
CCC(=O)N(CC(=O)OC)Cc1cc(Cl)ccc1O	272195483	GPXYRHLBVBIZBL-UHFFFAOYSA-N	285.727	1.957	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1C[C@@]12CCOC2	373479384	JBYGJKNOJKPAJM-RSAASHCRSA-N	291.347	1.572	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)[C@H](C)CN)cc1	285809106	RJEGCGZYXGDHHS-GFCCVEGCSA-N	263.385	1.744	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)CS(C)(=O)=O	299074508	SXUSHFJRUOCUCY-UHFFFAOYSA-N	298.408	1.146	10	20	CDCD	
O=C(N[C@@H]1C[C@H]2CC[C@@H]1O2)c1c(F)ccc(O)c1O	294753430	ARHBLIRXQZDKBL-YNEQXMIYSA-N	267.256	1.287	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)NC[C@H](C)N)c1	817971489	DOTVBHHCMJAQMB-DTWKUNHWSA-N	252.314	1.177	10	20	CDCD	
COCC1(NCc2cccc(OC)c2O)CCOCC1	814302252	QQFSHXZEPLAIFY-UHFFFAOYSA-N	281.352	1.686	10	20	CDCD	
COC(=O)N(C)CCNCc1cc(Cl)cc(F)c1O	827370507	FSUVWTXSPOKWIT-UHFFFAOYSA-N	290.722	1.973	10	20	CDCD	
CCn1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cn1	732529967	FHFGGTLETXFSBC-MDWZMJQESA-N	282.303	1.364	10	20	CDCD	
O=C(COC(=O)c1cc(O)cs1)NC(C1CC1)C1CC1	732352681	BSPAZHJNEBACGI-UHFFFAOYSA-N	295.360	1.915	10	20	CDCD	
COc1cc(Cl)cc(CN2CC(OC)C2)c1O	839131509	UTXFNIARGCVQDP-UHFFFAOYSA-N	257.717	1.885	10	20	CDCD	
COCCOC[C@@H](C)NC(=O)NCc1ccccc1O	745789176	GBSCRMVAKJOYSS-LLVKDONJSA-N	282.340	1.243	10	20	CDCD	
CCS(=O)(=O)C1CN(Cc2cc(C)c(C)cc2O)C1	841886342	NTVIGOSPGJFANE-UHFFFAOYSA-N	283.393	1.628	10	20	CDCD	
COc1cccc(O)c1CNC[C@@H](O)c1ccco1	747099131	RPFJRBGXNWSOSS-GFCCVEGCSA-N	263.293	1.817	10	20	CDCD	
c1cc2c(cc1CNC[C@@H]1CNCCCO1)CCO2	841085622	JAEPXEOBVMDLBT-AWEZNQCLSA-N	262.353	1.090	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)Cc1cc[nH]n1	743417423	XUWYRFSVYFGQQW-UHFFFAOYSA-N	272.352	1.643	10	20	CDCD	
CN(C)c1ccc(CN[C@H](CO)CCF)cc1F	846095920	CMIXKYAWYYYYHZ-NSHDSACASA-N	258.312	1.702	10	20	CDCD	
COc1cccc(CN[C@H]2CCN[C@H](C)C2)c1O	841062437	WRYRXSNPXUPRJQ-PWSUYJOCSA-N	250.342	1.631	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC[C@@H](C)S(C)(=O)=O	840936232	HCVATAJGGMKELQ-GFCCVEGCSA-N	284.425	1.584	10	20	CDCD	
COc1ccc(N(C)CCN(C)C(=O)C2(C)COC2)cc1	844856063	MBVSFPQWHMLFBG-UHFFFAOYSA-N	292.379	1.626	10	20	CDCD	
C[C@@H](CN)NC(=O)NCc1ccc(N2CCCC2)cc1	841709880	NQOPNUGTYMKUSC-LBPRGKRZSA-N	276.384	1.433	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)N[C@@H]1CCCNC1	841943555	QHNIDVXKWZVBFR-GFCCVEGCSA-N	263.341	1.286	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H]2CO[C@@H](C)C2)c(O)c1O	844106716	NGUNYZXVVUGFJH-IUCAKERBSA-N	251.282	1.313	10	20	CDCD	
Cc1cc(C)c([C@@H](C)NC[C@@H](O)Cn2ccnn2)c(O)c1	840804106	ZXYUQIVVPWBHJC-CHWSQXEVSA-N	290.367	1.312	10	20	CDCD	
CO[C@@]1(C)C[C@H]1NCc1ccc(N2CCN(C)CC2)cc1	850410490	NWZXNURKXHAHPP-SJORKVTESA-N	289.423	1.705	10	20	CDCD	
CO[C@@H]1C[C@H](NC(=O)c2cc(O)cs2)C1(C)C	753341870	NJCXMJQFJVLLMS-VHSXEESVSA-N	255.339	1.997	10	20	CDCD	
C[C@@H]1[C@H](N(C)C)CCN1C(=O)/C=C\c1ccc(O)c(O)c1	854654198	JKLVQQVVSKXKNL-HHQZKXIDSA-N	290.363	1.662	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)OCC[C@H]1CCOC1=O	759597472	ZSNCKWJQLUMUOP-MORRKMRCSA-N	292.287	1.607	10	20	CDCD	
CC[C@@H](C)CS(=O)(=O)NCc1ccc(O)cc1O	867417383	SYCANEUZWYTJMF-SECBINFHSA-N	273.354	1.563	10	20	CDCD	
CC(C)NC(=O)CNC(=S)N[C@H](C)c1ccccc1O	865269693	WYYRPMMIGNKSBA-SNVBAGLBSA-N	295.408	1.442	10	20	CDCD	
CN(CCCO)C1CCN(C(=O)c2cc(O)cs2)CC1	765251883	KJFFPPWPEMKNKU-UHFFFAOYSA-N	298.408	1.373	10	20	CDCD	
COCCN(C)CCNC(=O)N[C@H](C)c1ccccc1O	868217257	RTQNSIXEORTKNG-GFCCVEGCSA-N	295.383	1.331	10	20	CDCD	
CN(Cc1cc(Cl)cc([N+](=O)[O-])c1O)C1CC(O)C1	761221221	BXRGWRAZZFPFTJ-UHFFFAOYSA-N	286.715	1.909	10	20	CDCD	
COc1ccc2c(c1)CCCN2Cn1ncn(C)c1=O	766341048	JXBVYSNGXUDTDQ-UHFFFAOYSA-N	274.324	1.001	10	20	CDCD	
Cn1cc(S(=O)(=O)Nc2ccc(O)cc2)nc1Cl	776744607	LXWLULBYNNYRML-UHFFFAOYSA-N	287.728	1.580	10	20	CDCD	
COc1cccc(CNC(=O)N[C@@H]2C[C@@H](C)O[C@H]2C)c1O	875988399	GTLRVTQWZJCZBU-JFGNBEQYSA-N	294.351	1.766	10	20	CDCD	
CC(C)(C)c1cc(O)c(O)c(CN2CCCNC(=O)C2)c1	872824815	DCNCYWYQIBAKNV-UHFFFAOYSA-N	292.379	1.717	10	20	CDCD	
COC(=O)[C@H]1CN(Cc2ccc(C)cc2O)CCO1	876688768	NQCUMGJPDSFAPI-CYBMUJFWSA-N	265.309	1.074	10	20	CDCD	
Cc1ccc(CN2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)c(O)c1	877466777	QKVOJKCHSUIGHR-NJZAAPMLSA-N	274.364	1.786	10	20	CDCD	
OC1CCN(c2ccc(CN3CC[C@@H](O)C3)cc2)CC1	876562573	ZSCTWUFAGXRDHE-MRXNPFEDSA-N	276.380	1.214	10	20	CDCD	
COc1ccc(N2CCN(CCCCO)CC2)c(OC)c1	879463568	ISFSTYKIRWNPCF-UHFFFAOYSA-N	294.395	1.598	10	20	CDCD	
CN(C)c1ccc([C@@H](N)CNC(=O)c2ccc(N)nc2)cc1	876506643	NAVJFINFMNTXPC-AWEZNQCLSA-N	299.378	1.160	10	20	CDCD	
CC(C)(C)n1cnc(C(=O)NCc2ccc(N)cc2)n1	1122445453	STSCSYIGYPDYGA-UHFFFAOYSA-N	273.340	1.545	10	20	CDCD	
COc1ccc(CNc2ccc(CO)cn2)c(O)c1OC	894226664	MGOPAFPSJJGNPS-UHFFFAOYSA-N	290.319	1.909	10	20	CDCD	
CCCN(CC(=O)NC)Cc1ccc(OC)c(OC)c1O	891779296	YNQQSUJGMNXMTJ-UHFFFAOYSA-N	296.367	1.367	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)N=c1ccc2ncc[nH]c-2n1	782040432	AGYKDEWQWFJBRK-SNVBAGLBSA-N	296.330	1.853	10	20	CDCD	
CCN1CCCN(Cc2c(O)ccc3ccncc23)CC1=O	787233610	QFZHHIRRVUNMRK-UHFFFAOYSA-N	299.374	1.995	10	20	CDCD	
CN(CCOC(C)(C)C)C(=O)c1cccc(O)c1O	690000966	WWSRTYRKSBFQBX-UHFFFAOYSA-N	267.325	1.985	10	20	CDCD	
CN(CC(=O)N1CCCC1)Cc1ccc(N(C)C)cc1	726981141	OPLPWBVNZDGSKB-UHFFFAOYSA-N	275.396	1.807	10	20	CDCD	
CCc1cccc(CN(C)CCS(C)(=O)=O)c1O	821984460	VNUVQRCLTNAHCI-UHFFFAOYSA-N	271.382	1.431	10	20	CDCD	
O=C(NCc1ccccc1O)c1ccc2nncn2c1	749941345	HQQKUJPRWRBZQH-UHFFFAOYSA-N	268.276	1.365	10	20	CDCD	
CCC[C@H](CCO)CNC(=O)c1cccc(O)c1O	193110133	IQQOUYJTBOYRBU-SNVBAGLBSA-N	267.325	1.626	10	20	CDCD	
CCOCCOC[C@H](O)CN[C@@H](C)c1cc(C)ccc1O	790757971	ALORFRWRJKTBKX-UONOGXRCSA-N	297.395	1.765	10	20	CDCD	
Nc1ccc(CC(=O)N2CC[C@H]3[C@@H](C2)C3(F)F)cc1	1580443072	OQMIDGKUSKJBTR-NWDGAFQWSA-N	266.291	1.925	10	20	CDCD	
Cc1ccc(O)c(CNS(=O)(=O)N2CCC[C@@H]2C)c1	1331575456	VHNRIRLCXCGVCT-NSHDSACASA-N	284.381	1.519	10	20	CDCD	
Oc1cc2c(cc1CN1CCC(F)CC1)[C@H](O)CO2	1332135102	KCBRTFDJAZDZDS-CYBMUJFWSA-N	267.300	1.752	10	20	CDCD	
CC1(NC(=O)NCc2ccc(N)cc2)CCNCC1	1335727110	ZGDVFSLTQOUIAB-UHFFFAOYSA-N	262.357	1.210	10	20	CDCD	
Nc1ccc(CNC(=O)[C@H]2CSCCS2)cc1	1342701070	WVDCMUBSOIMWFF-LLVKDONJSA-N	268.407	1.734	10	20	CDCD	
CC(C)C[C@H]1CN(C)CCN1C(=O)Cc1ccc(N)cc1	1355270730	WMXPXNZMKUKBMQ-INIZCTEOSA-N	289.423	2.000	10	20	CDCD	
CC[C@H](N[C@@H](C)c1cc(C(=O)O)ccc1O)C(=O)NC	1595279207	MTDNFSUHHXJZEU-KWQFWETISA-N	280.324	1.266	10	20	CDCD	
COc1ccc(O)c(CNC(=O)NC/C=C(\C)C(=O)O)c1	1599598557	OVSCYWXZEZHPAK-WEVVVXLNSA-N	294.307	1.231	10	20	CDCD	
O=C1C[C@H](NCc2ccc3c(c2)CCO3)CCCN1	876995565	GPSCMZPVZWFYFM-CYBMUJFWSA-N	260.337	1.380	10	20	CDCD	
CC(C)CN(CCN(C)C)C(=O)Cc1ccc(N)cc1	37825159	NJYDNYFJMXNWLE-UHFFFAOYSA-N	277.412	1.858	10	20	CDCD	
COc1cccc(CN2CCS(=O)(=O)C[C@H]2C)c1O	179773938	KQGIPARBVZRBCN-SNVBAGLBSA-N	285.365	1.020	10	20	CDCD	
OC[C@@]1(NCc2cc(Cl)cc(Cl)c2O)CCOC1	184194766	PXSNYQGEXMGEHL-LBPRGKRZSA-N	292.162	1.940	10	20	CDCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@H]2NCC1(CO)COC1	717617343	VNYDFSVTQQQZBQ-NWDGAFQWSA-N	277.364	1.847	10	20	CDCD	
NCC1(O)CCN(Cc2cc(Cl)ccc2O)CC1	397021937	MFKOPGSQCRMRSG-UHFFFAOYSA-N	270.760	1.331	10	20	CDCD	
COc1cc(Cl)cc(CN[C@@H]2CCOC2)c1O	228676499	JOROSVKWLPKOCJ-SNVBAGLBSA-N	257.717	1.933	10	20	CDCD	
C[C@@H](Nc1ccc(C(N)=O)nn1)c1ccc(N(C)C)cc1	302392951	JPYNFUFMGIQZRK-SNVBAGLBSA-N	285.351	1.815	10	20	CDCD	
COCC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	71797638	RURKKBQPBBSTHY-CYBMUJFWSA-N	279.336	1.546	10	20	CDCD	
CC(C)CN1CC(=O)N[C@@H]1c1cc(F)ccc1O	77474843	DJVWDLASWOTCSQ-ZDUSSCGKSA-N	252.289	1.618	10	20	CDCD	
OCC(F)(F)CNCc1cc(Br)ccc1O	183894946	OHTOACUQUKGUDX-UHFFFAOYSA-N	296.111	1.872	10	20	CDCD	
CCCNC(=O)[C@@H](C)N1CCOc2cc(N(C)C)ccc21	130422941	SUCIYZDBPKOKRD-GFCCVEGCSA-N	291.395	1.866	10	20	CDCD	
OC[C@@]1(NCc2ccccc2O)COc2ccccc2C1	527770288	TZUDDXWQCZGNIO-QGZVFWFLSA-N	285.343	1.848	10	20	CDCD	
Oc1ccc(Cl)c(F)c1CNC[C@@H]1COCCN1	530246864	LMBWXKARMLDSOL-MRVPVSSYSA-N	274.723	1.263	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNCC[C@@H](C)OC)c1O	278928065	VSGCWRUXNQRXHK-SECBINFHSA-N	284.312	1.824	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2CCC(CO)CC2)c1O	278159871	DNAQVUYUDWRFNI-UHFFFAOYSA-N	296.323	1.513	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NC[C@]1(O)CCSC1	272431098	LHLKLFFSRKGEDH-KWEXDPCDSA-N	295.360	1.095	10	20	CDCD	
C[C@]1(CNC(=O)c2c(F)ccc(O)c2O)CCCC[C@@H]1O	276658082	XNXUQMSNMRGNSS-XHDPSFHLSA-N	297.326	1.908	10	20	CDCD	
COC(=O)C[C@H]1COCCN1Cc1cc(C)ccc1O	377835625	VJLFVBSSWRAREF-ZDUSSCGKSA-N	279.336	1.465	10	20	CDCD	
CN(C)c1ccc(CN2CC[C@@](C)(C(N)=O)C2)cc1	280350254	STQIAAFUKJVVSX-OAHLLOKOSA-N	261.369	1.450	10	20	CDCD	
OCc1cn([C@@H]2CCCN(Cc3ccccc3O)C2)nn1	293541722	CVQXXUGAURGAKX-CQSZACIVSA-N	288.351	1.313	10	20	CDCD	
O=C(N[C@H]1CC[C@@H](CO)C1)c1c(F)ccc(O)c1O	295488969	NUFZXKFBKZKCCT-SFYZADRCSA-N	269.272	1.128	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NCc2cncn2C)cc1	290629874	MLTUNANNXOEKGQ-UHFFFAOYSA-N	287.367	1.486	10	20	CDCD	
O=C(NCc1nnc(C2CC2)o1)c1cc(O)cs1	807279185	IQGWKQGVVKXGSM-UHFFFAOYSA-N	265.294	1.644	10	20	CDCD	
Cc1ccc(C(=O)N2CC[C@@H](c3nc[nH]n3)C2)c(O)c1O	819725186	TVCXRMFKMLTDNI-SECBINFHSA-N	288.307	1.154	10	20	CDCD	
CN1CCC[C@@H](NCc2cc(Cl)c(F)cc2O)C1=O	816555687	NFBIQLFUCSVAJV-LLVKDONJSA-N	286.734	1.895	10	20	CDCD	
CCn1ccc(NC(=O)NCc2ccc(OC)cc2O)n1	824948185	CBEIFFAPSKOXFM-UHFFFAOYSA-N	290.323	1.939	10	20	CDCD	
O=C1CC[C@@H]2CN(Cc3ccccc3O)CC[C@@H]2N1	827141161	PQNNGGNJTLSZJH-YPMHNXCESA-N	260.337	1.493	10	20	CDCD	
C[C@@H]1C[C@H](O)CN(C(=O)c2c(F)ccc(O)c2O)C1	839877708	SHJGCAYAURZOLK-SFYZADRCSA-N	269.272	1.080	10	20	CDCD	
CCOCCC(=O)NC[C@H](N)c1ccc(N(C)C)cc1	832279600	KLBKUDJNQCJKJJ-AWEZNQCLSA-N	279.384	1.295	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1C(=O)[C@H](C)NC1=S	734512344	QJOQJRJRTGOCKP-JTQLQIEISA-N	277.393	1.666	10	20	CDCD	
CC(C)N1C[C@H](NC(=O)c2cc(O)cs2)CC1=O	738525983	FEHYDXSFTXXFCF-MRVPVSSYSA-N	268.338	1.193	10	20	CDCD	
C[C@H](NC(=O)C(C)(C)C)C(=O)NCc1ccc(O)cc1O	910952770	YAUFYKQUOGQVEZ-VIFPVBQESA-N	294.351	1.265	10	20	CDCD	
CC(C)C(=O)N1CCCN(C(=O)c2cc(O)cs2)CC1	732284942	JQBADBRHNYODQC-UHFFFAOYSA-N	296.392	1.784	10	20	CDCD	
Nc1ccc(NC(=O)N2CC[C@@H]3COC(=O)N[C@H]3C2)cc1	843043540	WUBZWYPUPIPNAA-SKDRFNHKSA-N	290.323	1.231	10	20	CDCD	
O[C@@]1(CCNCc2ccc3c(c2)CCO3)CCCOC1	846108876	FELGAMWKGDPRDN-MRXNPFEDSA-N	277.364	1.643	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CC[C@H](N)[C@H](C)C2)c1O	843353597	LSBZDDDXXVZQCL-OTYXRUKQSA-N	280.343	1.903	10	20	CDCD	
Oc1cc2c(cc1CN1CC[C@@H]3OCC[C@@H]3C1)[C@@H](O)CO2	842624677	GLKGBWJNEHJZPV-ONERCXAPSA-N	291.347	1.429	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@H]2CC[C@H](CN)C2)c1O	841084971	RCKMOYHQUSGVMN-ONGXEEELSA-N	295.339	1.526	10	20	CDCD	
COCC1(CNCc2cc(OC)ccc2O)CCNCC1	841069004	ZXXCWQFSXOCFRH-UHFFFAOYSA-N	294.395	1.507	10	20	CDCD	
CC[C@@H]1CN(Cc2cc3c(cc2O)OC[C@H]3O)[C@H](C)CO1	844733775	XSGFAEJORQVGHL-IXPVHAAZSA-N	293.363	1.817	10	20	CDCD	
C[C@@H]1CC[C@H](COC(=O)c2cccc(O)c2O)O1	758557472	BAJSBPIQLNAKKD-RKDXNWHRSA-N	252.266	1.822	10	20	CDCD	
CCN1C[C@@H](NCc2cc(F)c(N(C)C)cc2F)CC1=O	858173278	YAVZNOIDRDBAAI-NSHDSACASA-N	297.349	1.741	10	20	CDCD	
COC(=O)CCCOC(=O)/C=C\c1ccc(O)c(O)c1	759594392	NFTWVTTZFVPJMT-ALCCZGGFSA-N	280.276	1.607	10	20	CDCD	
CCc1cccc(CN[C@@H]2CC[C@H](C(N)=O)C2)c1O	848914385	IYWGXMZPHIEMSE-WCQYABFASA-N	262.353	1.698	10	20	CDCD	
C[C@H](N[C@@H]1CCCN(C)C1=O)c1cc(F)cc(F)c1O	756639102	WUSJWYUKTVJSSW-QPUJVOFHSA-N	284.306	1.942	10	20	CDCD	
C[C@H](N)CCNC(=O)NCc1c(O)ccc2c1CCCC2	857112064	DXQAYWKWXWWZFS-NSHDSACASA-N	291.395	1.808	10	20	CDCD	
C[C@H](NC[C@@H](C)S(C)(=O)=O)c1cc(F)ccc1O	697579639	HGDDKYOEGOTNFJ-BDAKNGLRSA-N	275.345	1.615	10	20	CDCD	
CCN(CCCO)Cc1ccc(N2CCOCC2)c(F)c1	769483424	QANDJOPXVAIDKP-UHFFFAOYSA-N	296.386	1.867	10	20	CDCD	
CC(C)N1CCC[C@@H]1C(=O)NCc1ccc(O)c(O)c1	934945181	XHRDBABSCSTUNH-GFCCVEGCSA-N	278.352	1.587	10	20	CDCD	
CCC(O)(CC)CN(C)C(=O)c1c(F)ccc(O)c1O	863943737	LPOICMXLVHGNBW-UHFFFAOYSA-N	285.315	1.860	10	20	CDCD	
CN(C)c1cc(F)c(CN2C[C@@H]3CNC[C@H]3C2)cc1F	862253160	LQISFTGACUQTIF-RYUDHWBXSA-N	281.350	1.682	10	20	CDCD	
Cc1nnc2ccc(C(=O)NCc3ccc(O)c(O)c3)cn12	768914651	DHZLMRAHRNNZSN-UHFFFAOYSA-N	298.302	1.379	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1C(=O)[C@@H](C)N(C)C1=O	761357073	PHWVHKUKQHSDRI-LLVKDONJSA-N	275.352	1.844	10	20	CDCD	
C[C@@H](NC(=O)Cc1ccc(N)cc1)c1nnnn1C1CC1	877234375	RPDUROVJQONSTO-SECBINFHSA-N	286.339	1.010	10	20	CDCD	
COCC[C@@H]1COCCN1Cc1ccc(C)cc1O	877544390	PCDTTYDUNPRKNY-CQSZACIVSA-N	265.353	1.938	10	20	CDCD	
COc1cc(O)c(CN2C[C@@H]3CNC[C@@H]3C2)cc1OC	775748391	XZWHXOWRUOAIKC-TXEJJXNPSA-N	278.352	1.061	10	20	CDCD	
C[C@H](O)[C@H]1CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1	779485331	JUIDOEFCODLLAC-FXOGGVSJSA-N	291.347	1.730	10	20	CDCD	
COc1cc(O)c(CN2CC(=O)N(C)C[C@@H]2C)cc1OC	783732229	CPAFKTQEYXIWNM-JTQLQIEISA-N	294.351	1.072	10	20	CDCD	
CC1(C)CN(Cc2cc(F)ccc2O)CCN1CCO	783714186	PBHPOGXVDIHJRJ-UHFFFAOYSA-N	282.359	1.420	10	20	CDCD	
COc1ccc(CN(C)CCn2cccn2)c(O)c1OC	892031720	MXDPBENJGKSVBX-UHFFFAOYSA-N	291.351	1.738	10	20	CDCD	
COc1cc(C(=O)OCC(=O)c2ccc(O)c(O)c2)on1	784722858	BKASFAGGTHPMMY-UHFFFAOYSA-N	293.231	1.134	10	20	CDCD	
Cc1ccc(CN2C[C@@H](O)C[C@@]2(C)CO)c(O)c1	895324456	KSTZPWGPKFIVHX-JSGCOSHPSA-N	251.326	1.018	10	20	CDCD	
CNC(=O)[C@H]1CCC[C@H]1NCc1cc(C)cc(OC)c1O	894361158	DVSOGGSIKIQWLD-QWHCGFSZSA-N	292.379	1.714	10	20	CDCD	
CCn1ncnc1CN(C)c1ccc(OC)c(OC)c1	785670262	PCOULCKEEPYWQI-UHFFFAOYSA-N	276.340	1.952	10	20	CDCD	
CCN1C[C@H](NCc2ccc(OC)c(OC)c2O)CC1=O	894722906	JHWKEOGHVTYTPM-LLVKDONJSA-N	294.351	1.120	10	20	CDCD	
CC(C)(C)OC(=O)CCCNC(=O)c1cccc(O)c1O	790825012	RPTYKKSREWGXTE-UHFFFAOYSA-N	295.335	1.950	10	20	CDCD	
COc1ccc(CNC(=O)c2ccn(C(F)F)n2)c(O)c1	794376400	DZUXSHGZHRCKBK-UHFFFAOYSA-N	297.261	1.922	10	20	CDCD	
COc1ccc(CN2CCC[C@H](O)CC2)c(O)c1OC	894649039	JTICHCWHRZBITE-LBPRGKRZSA-N	281.352	1.756	10	20	CDCD	
COC(=O)[C@@H](C)N(C)Cc1c(O)cccc1OC	793325834	WIPKRNPPDXINCO-SECBINFHSA-N	253.298	1.394	10	20	CDCD	
COc1ccc(CNC(=O)CCCCN(C)C)c(O)c1	794388144	QQODWSQGDWFWIL-UHFFFAOYSA-N	280.368	1.749	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)NCCF	798099632	ISSNJBGTRNAHET-UHFFFAOYSA-N	253.321	1.830	10	20	CDCD	
CN(C)c1ccc(CN2CCO[C@@](C)(C(=O)O)C2)cc1	711536051	OXPWOYUSIROGJW-OAHLLOKOSA-N	278.352	1.428	10	20	CDCD	
C[C@H]1C[C@H](C)CN(S(=O)(=O)NCc2ccccc2O)C1	751150302	AMRDBFFUGTVARH-RYUDHWBXSA-N	298.408	1.705	10	20	CDCD	
O=C(O)[C@@H]1C[C@H]2CC[C@H]1N(C(=O)c1cc(O)cs1)C2	1608615604	XJDQXGCWZIIQEA-SZEHBUNVSA-N	281.333	1.779	10	20	CDCD	
CC(C)[C@H](C(=O)O)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	1589079190	NRDFRTFXWXTGAT-RNCFNFMXSA-N	295.335	1.502	10	20	CDCD	
C[C@H](N[C@H](CO)CCF)c1cc(C(=O)O)ccc1O	1593209514	MLSJYPGZFDEGIV-WPRPVWTQSA-N	271.288	1.462	10	20	CDCD	
CCCCC[C@@H](NC(=O)Cc1ccc(N)cc1)C(=O)O	1595672266	HOUYOKODLPNWRZ-CYBMUJFWSA-N	278.352	1.961	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)NC[C@@H](C)C(=O)O)c1	1593883274	WIZAMLBJPRTNBA-RKDXNWHRSA-N	281.308	1.550	10	20	CDCD	
O=S1(=O)CC[C@@H](NCc2cc(Cl)ccc2O)C1	19900168	PPYZWOWTFPXCNY-SNVBAGLBSA-N	275.757	1.322	10	20	CDCD	
C[C@H](CCO)NC(=O)NCc1ccc2c(c1)CCCN2C	158104117	UOLZJKPJJWVSEO-GFCCVEGCSA-N	291.395	1.639	10	20	CDCD	
CC[C@@H](CCO)CNC(=O)NCc1ccc(N(C)C)cc1	153794692	ORZJRUCYUFWHDI-ZDUSSCGKSA-N	293.411	1.960	10	20	CDCD	
C[C@H](O)C[C@H]1CCCN1C(=O)c1cccc(O)c1O	126643461	LIXMVTLWSSZPFX-VHSXEESVSA-N	265.309	1.473	10	20	CDCD	
CN1CCC[C@H](CNC(=O)Nc2ccc(N)cc2)C1	44539895	NRTQLYOCEHVZRV-LLVKDONJSA-N	262.357	1.732	10	20	CDCD	
COc1cccc(CNC(=O)[C@H]2CCOC2)c1O	105651035	XAJILHLESWPKTL-JTQLQIEISA-N	251.282	1.054	10	20	CDCD	
CCOCCNC(=O)N[C@@H](C)c1cc(OC)ccc1O	103511486	DETJHYZYYWYGLC-JTQLQIEISA-N	282.340	1.798	10	20	CDCD	
CCOC(=O)[C@H](NCc1ccc(N)cc1)[C@@H]1CCCOC1	1345159184	CXNPYMRTTGPWJR-UKRRQHHQSA-N	292.379	1.717	10	20	CDCD	
COC[C@@](C)(CC(=O)OC)NCc1ccc2c(c1)CCO2	123550006	BYJAHZAARQAMIN-MRXNPFEDSA-N	293.363	1.679	10	20	CDCD	
CN(Cc1cc2c(cc1O)OCO2)[C@H]1CCCCNC1=O	123973328	DAUWUNMKKWVXTR-NSHDSACASA-N	292.335	1.221	10	20	CDCD	
CCOc1ccc(O)c(CNC[C@@H]2CCCS2(=O)=O)c1	131794912	WWPGFWVJUMODKJ-ZDUSSCGKSA-N	299.392	1.458	10	20	CDCD	
O=C(O)[C@]1(NCc2ccc3c(c2)CCO3)CCSC1	284235794	NIXALECKVBSGBQ-AWEZNQCLSA-N	279.361	1.671	10	20	CDCD	
COc1cccc(CNc2ncnc3nc(N)ccc23)c1O	91479228	GEKASTCRNNXPGS-UHFFFAOYSA-N	297.318	1.933	10	20	CDCD	
Nc1ccc(CC(=O)NCCCOC[C@@H]2CCOC2)cc1	238111895	KNKGQZVULLUIMZ-AWEZNQCLSA-N	292.379	1.371	10	20	CDCD	
C[C@H](C(=O)O)N(C)Cc1ccc(N2CCOCC2)cc1	237423424	BUKLDCICIRDDJN-GFCCVEGCSA-N	278.352	1.428	10	20	CDCD	
O=[N+]([O-])c1ccc(O)c(CN[C@@H]2CCO[C@H]2C2CC2)c1	363163056	RTUGUPXDHUJDKT-OCCSQVGLSA-N	278.308	1.958	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[C@H](O)C1	272344882	ABKCARMXQQAHBJ-MALLOTDXSA-N	263.293	1.094	10	20	CDCD	
CO[C@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)C(C)C	272615076	HUYLTIDRNDAMIJ-HZRUHFOJSA-N	279.336	1.898	10	20	CDCD	
CCOc1ccc(O)c(CN[C@]2(CCO)CCOC2)c1	278532029	VKIYAEASKWWPQI-OAHLLOKOSA-N	281.352	1.422	10	20	CDCD	
CN(C)c1ccc(CNC[C@]2(O)CCOC2)cc1F	270034774	YYDKOWNZGLJTFQ-CQSZACIVSA-N	268.332	1.133	10	20	CDCD	
CCCN(CC(=O)OCC)C(=O)c1ccc(C)c(O)c1O	272783085	VNIFRRMLFLOQRL-UHFFFAOYSA-N	295.335	1.822	10	20	CDCD	
CC(C)[C@@H](CCO)NC(=O)c1c(F)ccc(O)c1O	276531149	DTZFNEAMNNOYOI-SECBINFHSA-N	271.288	1.374	10	20	CDCD	
COC[C@H](C)OC[C@H](O)CN(C)c1ccc2c(c1)OCO2	278303155	JLQQLHQSCMQZMO-WCQYABFASA-N	297.351	1.264	10	20	CDCD	
CN(C)C1(CNCc2ccc(N3CCOCC3)cc2)CC1	397875154	LNLLNYZZIOQOFE-UHFFFAOYSA-N	289.423	1.707	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCO[C@@H]2C[C@@H]21	813647718	XSIXRAOTXSHYFA-LSDHHAIUSA-N	289.379	1.744	10	20	CDCD	
CCn1ccnc1C(=O)NCc1ccc(N(C)C)cc1	813375816	YYHQSLCLKXKIHB-UHFFFAOYSA-N	272.352	1.899	10	20	CDCD	
Cn1nccc1[C@@H](NCc1ccc2c(c1)CCO2)C(=O)O	819165856	FPNRBSGXGXVBPF-CQSZACIVSA-N	287.319	1.271	10	20	CDCD	
N[C@@H](C(=O)NCCCSc1nccs1)C1CCC1	817939757	BSBCNNLYNITEGY-SNVBAGLBSA-N	285.438	1.869	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN(C)Cc1cn(C)nn1	827305471	SIVXXVBMIJKFOD-UHFFFAOYSA-N	273.384	1.822	10	20	CDCD	
COc1ccc(O)c(CN2CC[C@H]3NC(=O)CC[C@H]3C2)c1	827131780	CFFULGLZQBHZPN-SMDDNHRTSA-N	290.363	1.501	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)Cn2ccnc2C)c1	837483450	ALQILNUUNYCYKL-JTQLQIEISA-N	289.335	1.783	10	20	CDCD	
O=C(OCCCN1CCCC1=O)c1cc(O)cs1	733497355	UJNKVOPOSDPVQA-UHFFFAOYSA-N	269.322	1.623	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNC[C@H]2CC[C@H](C)O2)c1O	835087795	RDXJYBWROHBVHV-GXSJLCMTSA-N	296.323	1.966	10	20	CDCD	
COc1cc(O)c(CN[C@H]2CC[C@@H](CN)C2)cc1OC	841085274	XWVLPKBUBHDPON-PWSUYJOCSA-N	280.368	1.626	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H](C)N)c1	841990319	ZLWUEWULXQLPEI-BDAKNGLRSA-N	267.329	1.108	10	20	CDCD	
CO[C@@H](C)CN(C)C(=O)NCCc1ccc(N)cc1	841956424	DTIRJSBZXJTADE-NSHDSACASA-N	265.357	1.488	10	20	CDCD	
C[C@@H](CNCc1ccc(N2CCOCC2)c(F)c1)C(=O)O	848637511	HJUUJIYSRHIUCX-NSHDSACASA-N	296.342	1.473	10	20	CDCD	
CC1=C(C(=O)NCc2ccc(O)cc2O)SCCO1	910945521	BUJSGCRNPKBXCW-UHFFFAOYSA-N	281.333	1.709	10	20	CDCD	
COCCNC(=O)C1(N[C@H](C)c2ccc(C)cc2O)CC1	840822689	OESVCSFYJABBCL-GFCCVEGCSA-N	292.379	1.646	10	20	CDCD	
CN[C@@H](C)C(=O)NCc1ccc(N2CCSCC2)cc1	848411585	SNLGAKPMORRZKL-LBPRGKRZSA-N	293.436	1.464	10	20	CDCD	
O=C1C[C@@H](CN[C@H]2CCc3cccc(O)c32)CN1C1CC1	846205489	HPIDBMVZIILMPG-FZMZJTMJSA-N	286.375	1.980	10	20	CDCD	
CCN(CC)c1ccc(CN(CCN)CCO)cc1	841059233	NTDWDIPWAOLBDE-UHFFFAOYSA-N	265.401	1.286	10	20	CDCD	
CN1CCC[C@@H](N(C)C(=O)c2cc(O)cs2)C1	748334728	KSJBGOCUEYHYRV-SECBINFHSA-N	254.355	1.620	10	20	CDCD	
CN(C[C@H](O)C(F)(F)F)C(=O)c1cc(O)cs1	758481437	SZFOWISPRDRMHM-ZETCQYMHSA-N	269.244	1.449	10	20	CDCD	
CC1(C)C[C@]1(C(=O)O)C(=O)NCc1ccccc1O	852942279	HMZIOKLRVRTJHT-CQSZACIVSA-N	263.293	1.509	10	20	CDCD	
CCn1cnnc1CCN[C@H](C)c1cc(OC)ccc1O	756733636	RLLCQJAHOQTBEJ-LLVKDONJSA-N	290.367	1.906	10	20	CDCD	
COCCN(CCO)Cc1cc(F)c(N(C)C)cc1F	862239034	SHFWEGJRCXZTEN-UHFFFAOYSA-N	288.338	1.472	10	20	CDCD	
CO[C@@H](C(=O)NCc1cc(C)ccc1O)c1cnn(C)c1	862755362	FRVLTGGUMGZLJG-CQSZACIVSA-N	289.335	1.438	10	20	CDCD	
CC(=O)NCC(=O)NCc1cc(C)n(-c2ccccc2)c1C	863168075	SNUVOIARFMZRQF-UHFFFAOYSA-N	299.374	1.846	10	20	CDCD	
CC(C)C[C@@H](C)NC(=O)C(=O)N(C)Cc1ccccc1O	1117378457	AMFGULBCLVDXPO-GFCCVEGCSA-N	292.379	1.901	10	20	CDCD	
C=CC(=O)N(C)CC(=O)NCc1ccc(N(C)C)cc1	1118859432	JAWNLXMZNXWXIZ-UHFFFAOYSA-N	275.352	1.013	10	20	CDCD	
CNS(=O)(=O)C1CCN(Cc2ccc(C)cc2O)CC1	876723357	UNEVXGKNFXKSCL-UHFFFAOYSA-N	298.408	1.214	10	20	CDCD	
CC[C@H]1CN(Cc2cccc(OC)c2O)C[C@H]1O	770378256	HAEKQPARSQDECP-CMPLNLGQSA-N	251.326	1.604	10	20	CDCD	
C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1nc[nH]n1	779526187	QCPDXLIYUTUMHJ-RYEJSQLPSA-N	274.280	1.107	10	20	CDCD	
COC(=O)[C@H]1C[C@@H](C(=O)N[C@H](C)c2ccccc2O)C1	1120766921	SVPMIALNTKCVRC-MXWKQRLJSA-N	277.320	1.769	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2CCCOC[C@H]2C)c1O	774904258	FGCJTDWHFDMKDQ-SNVBAGLBSA-N	296.323	1.920	10	20	CDCD	
CN(CC(=O)O)C(=O)NCc1ccc(N2CCCC2)cc1	780399021	RPESVZGSFYESLG-UHFFFAOYSA-N	291.351	1.513	10	20	CDCD	
COC[C@](C)(CO)NCc1cc(C)cc(OC)c1O	894393158	IAVMMFSDPKOELI-AWEZNQCLSA-N	269.341	1.196	10	20	CDCD	
COc1ccc(CN[C@@H](CO)CC2CC2)c(O)c1OC	893209841	IFHUNFAPDSQCAK-GFCCVEGCSA-N	281.352	1.660	10	20	CDCD	
COc1cccc(CNC[C@@](C)(O)C(C)C)c1O	304059972	OHIYRCZWMGXRMR-CQSZACIVSA-N	253.342	1.897	10	20	CDCD	
CCNC(=S)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	899724013	ISQLSPBDNPBFEY-AWEZNQCLSA-N	294.468	1.839	10	20	CDCD	
CC[C@H](CCO)NCc1ccc(OC)c(OC)c1O	893013416	JZTNMTMCVNICIF-LLVKDONJSA-N	269.341	1.660	10	20	CDCD	
C[C@@H]1CN(Cc2ccccc2O)C[C@@H](C)S1=O	792192043	JPLBRWAXQGJNPD-GHMZBOCLSA-N	253.367	1.734	10	20	CDCD	
OC[C@H]1C[C@@H](NCc2ccc(N3CCOCC3)cc2)C1	707591898	BHJHUPWXAZUJOY-GASCZTMLSA-N	276.380	1.384	10	20	CDCD	
COc1ccc(CNC(=O)[C@H]2CCCCN2C)c(O)c1	794379822	XLWLDYZWUJRFMX-CYBMUJFWSA-N	278.352	1.501	10	20	CDCD	
CCn1ncnc1CNCc1ccc(OC)c(C)c1	793344725	VSJDCMBPDYGQRL-UHFFFAOYSA-N	260.341	1.905	10	20	CDCD	
CC(C)NCCC(=O)N[C@@H](C)c1ccccc1O	870988534	RYHSIOYHMWGCIL-NSHDSACASA-N	250.342	1.958	10	20	CDCD	
CN(Cc1ccc(N2CCCC2)cc1)[C@H]1CCNC1=O	1319727768	BGMROFHQIUNUFQ-HNNXBMFYSA-N	273.380	1.607	10	20	CDCD	
COc1cc(C)cc(CNCC(=O)NCC(C)C)c1O	1334360108	QUWQMTNIVXQNIB-UHFFFAOYSA-N	280.368	1.571	10	20	CDCD	
CN[C@@H](CNC(=O)Cc1ccc(N)cc1)Cc1ccccc1	1354893710	NOAXVORZXGRZRK-QGZVFWFLSA-N	297.402	1.758	10	20	CDCD	
COc1cc(C)c(CN2CC[C@](OC)(C(=O)O)C2)c(O)c1	1607148865	UOPFGVVLBRQMAA-OAHLLOKOSA-N	295.335	1.385	10	20	CDCD	
Cc1ccc(O)c(CN2CCN(C(C)(C)C(=O)O)CC2)c1	1600464791	KKWYECWNZGIULO-UHFFFAOYSA-N	292.379	1.681	10	20	CDCD	
O=C(O)c1cnc(SCC(=O)N2CCCC2=O)s1	1610862602	GOMULZWRXBJRMQ-UHFFFAOYSA-N	286.334	1.082	10	20	CDCD	
Cc1conc1CS(=O)(=O)NCCc1ccc(N)cc1	1579832849	YXROXYPOCUHUNX-UHFFFAOYSA-N	295.364	1.227	10	20	CDCD	
CCc1nn(C)cc1NC(=O)Cc1ccc(N)cc1	231079203	PRTIVHMVTPFKEO-UHFFFAOYSA-N	258.325	1.746	10	20	CDCD	
CCOc1cccc(CN2CC[C@@](F)(C(=O)O)C2)c1O	1597154754	BAQGMYWPMZDERK-AWEZNQCLSA-N	283.299	1.790	10	20	CDCD	
O=C(O)[C@H](NCc1ccc(N2CC[C@H](O)C2)cc1)C1CC1	1777591866	HIQNWHQQHHRYSD-LSDHHAIUSA-N	290.363	1.210	10	20	CDCD	
CC[C@@H](CC(=O)O)NCc1cc([N+](=O)[O-])ccc1O	1776952322	SPRGBKSJZDCBHD-VIFPVBQESA-N	268.269	1.643	10	20	CDCD	
CS(=O)(=O)[C@@H]1CCN(Cc2cc(Cl)ccc2O)C1	800533687	CTOSZGVCPLRXMF-LLVKDONJSA-N	289.784	1.665	10	20	CDCD	
Cc1ccc(O)c([C@H](C)NC[C@@]2(O)CCO[C@H]2C)c1	278855467	QRKQBANJTJYEED-HUBLWGQQSA-N	265.353	1.891	10	20	CDCD	
CO[C@@H](CNCc1cc2c(cc1O)OCO2)C1CC1	378749816	JOAVMOXKVASRRD-AWEZNQCLSA-N	265.309	1.636	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C1(C)CNC1	399156908	BUQSSHWZFPRLNW-UHFFFAOYSA-N	261.369	1.321	10	20	CDCD	
COc1cccc(CNC(=O)CC(F)(F)F)c1O	105653136	CKXLSUPZOVVLTG-UHFFFAOYSA-N	263.215	1.969	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)CN(C)C	171198067	XUENSXBOKSPNLJ-UHFFFAOYSA-N	250.342	1.692	10	20	CDCD	
Nc1ccc(CNC(=O)[C@H]2CCc3cncn3C2)cc1	1263304163	UJLKPQZKVIXSOB-LBPRGKRZSA-N	270.336	1.344	10	20	CDCD	
Cc1ccc(O)c([C@H](C)NC[C@@H](C)N2CCN(C)CC2)c1	185364132	RNCZTBBHTJNPRB-CABCVRRESA-N	291.439	1.987	10	20	CDCD	
O=C(Nc1ccc2[nH]nnc2c1)c1cccc(O)c1O	187169686	PPOFEESCJZUKHT-UHFFFAOYSA-N	270.248	1.621	10	20	CDCD	
CCN1CCN(Cc2cc(OC)ccc2O)C(C)(C)C1=O	190027944	GWBAYHDWKLBGIH-UHFFFAOYSA-N	292.379	1.844	10	20	CDCD	
CC(=O)c1cc(F)cc(CN(C)[C@H]2CCOC2)c1O	135149848	CGUNASALPADAIY-LBPRGKRZSA-N	267.300	1.955	10	20	CDCD	
CO[C@H](C)C(=O)NCc1ccc(N2CCSCC2)cc1	49091570	UUISVAQOQTZZIC-GFCCVEGCSA-N	294.420	1.891	10	20	CDCD	
O=C(CNCc1c(O)cccc1Cl)NC1CC1	83551752	HNFHESLNKSCOLQ-UHFFFAOYSA-N	254.717	1.414	10	20	CDCD	
CCN(CCC(=O)OC)Cc1cccc(OC)c1O	92380189	OCJXCEZJXUMSFV-UHFFFAOYSA-N	267.325	1.786	10	20	CDCD	
COc1cccc(CN2CCC3(C2)OCCO3)c1O	93013489	LGZVPQSAQOSGOO-UHFFFAOYSA-N	265.309	1.350	10	20	CDCD	
Cc1cc(O)c(CN2CCN(C(=O)[C@@H](C)O)CC2)cc1C	93706544	ZWYOHLPEENOPCZ-CYBMUJFWSA-N	292.379	1.034	10	20	CDCD	
CC(=O)N[C@@H](C(=O)NCc1ccccc1O)C1CCCC1	269139577	LKOZFOGBSAHBTQ-OAHLLOKOSA-N	290.363	1.703	10	20	CDCD	
C[C@H]1CN(C2CC2)C[C@H]1NC(=O)Cc1ccc(N)cc1	269272845	UJKLMLGARXONGB-XHDPSFHLSA-N	273.380	1.410	10	20	CDCD	
CCN(CC)c1ccc(CNC[C@@H](O)CO)cc1F	276710096	GNEXFJARHPQEKJ-GFCCVEGCSA-N	270.348	1.115	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@]1(C)CCCOC1	274898853	FSPAHPLROADKSY-BZNIZROVSA-N	293.363	1.962	10	20	CDCD	
CC(C)[C@@H](CO)NC(=O)/C=C/c1ccc(O)c(O)c1	272604013	HNLQAONYXCUTSD-DUMNWFOQSA-N	265.309	1.244	10	20	CDCD	
C[C@H]1OCC[C@@]12CN(C(=O)c1cccc(O)c1O)CCO2	279853469	FZPDKXRHXIAQJV-MEBBXXQBSA-N	293.319	1.118	10	20	CDCD	
Cc1ccc([C@H](C)NC[C@H](CO)[C@@H]2CCOC2)c(O)c1	280875745	NZQJQXFOUNTIOY-BFHYXJOUSA-N	279.380	1.996	10	20	CDCD	
COc1cccc(CNC(=O)[C@H]2C[C@]23CCOC3)c1O	373399630	ROOQVMSQOLWHIP-ABAIWWIYSA-N	277.320	1.444	10	20	CDCD	
CNC(=O)C[C@H](C)NCc1ccc(N2CCOCC2)cc1	299161413	LCDBOPNQRVHQBZ-ZDUSSCGKSA-N	291.395	1.137	10	20	CDCD	
CCN(C)c1ccc([C@H](C)N[C@@H](C)C(=O)NC)cc1	291905914	MEDRMNDPBLLFCC-RYUDHWBXSA-N	263.385	1.928	10	20	CDCD	
CCOCC(=O)C(=O)CC(C)(C)CC(=O)OCC	808094280	ISUJVRVHSBPLEL-UHFFFAOYSA-N	258.314	1.531	10	20	CDCD	
CCN(CC)CCCNC(=O)NCc1ccccc1O	299476952	FUKOIXCNZGQJRI-UHFFFAOYSA-N	279.384	1.923	10	20	CDCD	
COCCOC[C@@H](O)COc1ccc(N2CCCC2)cc1	295929658	HSNPIKWOSMMGKX-OAHLLOKOSA-N	295.379	1.690	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)NCC2=CCNCC2)c1	817968945	ZUAWJBHZRJNERJ-LLVKDONJSA-N	290.363	1.749	10	20	CDCD	
O=C(C[C@H]1CCCOC1)NCc1cccc(O)c1O	1349079214	MFRPNRCBSCTITN-SNVBAGLBSA-N	265.309	1.531	10	20	CDCD	
Cc1cc(CN2C[C@H]3C[C@@]3(CO)C2)ccc1N(C)C	815099845	MXQZRXVEOYCWML-ZBFHGGJFSA-N	260.381	1.875	10	20	CDCD	
COc1cccc(CN(C)C2(CO)CCOCC2)c1O	827908122	KXZGEHHLRFJVNG-UHFFFAOYSA-N	281.352	1.374	10	20	CDCD	
COC(=O)c1cnc(SCCN2CCOC2=O)s1	829688051	SCLFCBNJUXWZKL-UHFFFAOYSA-N	288.350	1.474	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)NCc1nccs1	588406334	PEHZAPLBPGZPSG-RQOWECAXSA-N	276.317	1.884	10	20	CDCD	
CN1CCN(c2ccc(CNC3CC(N)C3)cc2)CC1	906510148	NYPJFLQQMPPJCK-UHFFFAOYSA-N	274.412	1.018	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)Cc1cnc[nH]1	900731211	DQIIJCCJFMXZKP-UHFFFAOYSA-N	272.352	1.643	10	20	CDCD	
O=C(Cc1cccc(C(=O)O)c1)NCc1ccccc1O	833765862	RWJCPDILSWNKBW-UHFFFAOYSA-N	285.299	1.949	10	20	CDCD	
O=C(N[C@H](CO)CC1CC1)c1c(F)ccc(O)c1O	830745176	MQJLYSNMPJMSMJ-QMMMGPOBSA-N	269.272	1.128	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1C[C@@H](CO)O[C@H](C)C1	840941433	AKGNHMUXBPBKLQ-CJNGLKHVSA-N	278.396	1.643	10	20	CDCD	
COc1ccc(CNC[C@@H]2C[C@H](F)CN2)cc1C	841080696	XPFFZMBNQWTKMM-STQMWFEESA-N	252.333	1.793	10	20	CDCD	
CC(C)SCCNC(=O)C(=O)Nc1ccc(N)cc1	841131067	WJZWZBYZQBIOQW-UHFFFAOYSA-N	281.381	1.465	10	20	CDCD	
CC1(C)CN(C(=O)C(=O)Nc2ccc(N)cc2)[C@@H]1C1CC1	841134628	ZXTHGGZFHSRBQA-CYBMUJFWSA-N	287.363	1.854	10	20	CDCD	
CCN[C@H](C)CNCc1ccc(N2CCN(C)CC2)cc1	841066026	QBIOHQIZADGJNO-OAHLLOKOSA-N	290.455	1.526	10	20	CDCD	
Oc1cccc(Cl)c1CNC[C@H]1CNCCCO1	841087238	RZVPKJGLOTTZFD-SNVBAGLBSA-N	270.760	1.514	10	20	CDCD	
CCO/C=C/C(=O)NCc1cc(OC)ccc1O	847591546	WMIYLNYOYVZKNZ-VOTSOKGWSA-N	251.282	1.567	10	20	CDCD	
CCc1cccc(CN(C)CC(=O)NC2CC2)c1O	848879934	HQUPTTJZJKQKNK-UHFFFAOYSA-N	262.353	1.665	10	20	CDCD	
CCNCCNCc1cccc(Br)c1O	841037778	VPJMNOFHKBMGOR-UHFFFAOYSA-N	273.174	1.854	10	20	CDCD	
Cc1cc(Br)c(O)c(CN2CC[C@@H](N)C2)c1	843045975	ZZSZCXNWKQSZBL-SNVBAGLBSA-N	285.185	1.996	10	20	CDCD	
COCC(C)(C)CNC(=O)NCCc1ccc(N)cc1	841908195	UGYKSAVQOSMLLL-UHFFFAOYSA-N	279.384	1.783	10	20	CDCD	
CCC[C@H](O)[C@H](CO)NCc1ccc2c(c1)CCCO2	922183267	QHMKFVLZMCWAAD-GJZGRUSLSA-N	279.380	1.623	10	20	CDCD	
C[C@@H](NC(=O)N[C@H]1C[C@H](CO)C1)c1ccc(N(C)C)cc1	922053548	DUEPRANHYCLSTM-YRGRVCCFSA-N	291.395	1.884	10	20	CDCD	
Cc1ccc(O)c(CNCc2cc(C(N)=O)no2)c1	757907696	WTAYTZBRHDQSHH-UHFFFAOYSA-N	261.281	1.077	10	20	CDCD	
Nc1ccc(CN2CCC[C@H](N3CCCC3=O)C2)cc1	1335286216	WNWRAMSCEFEDRQ-HNNXBMFYSA-N	273.380	1.856	10	20	CDCD	
CO[C@@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)CCO1	866047913	LJWDDRVKZVVKLS-AWEZNQCLSA-N	293.367	1.267	10	20	CDCD	
CC[C@@](C)(O)C(=O)NCc1ccc2c(c1)CCCN2C	931151993	BTJHILAVTZWACL-MRXNPFEDSA-N	276.380	1.846	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCCC2(C1)OCCO2	764882244	ZLHAJCHURKIZIN-UHFFFAOYSA-N	269.322	1.433	10	20	CDCD	
CNC(=O)CN1CCC(NCc2ccc(C)cc2O)CC1	876928269	YSKANFDGIYZXSY-UHFFFAOYSA-N	291.395	1.001	10	20	CDCD	
O=C1NCCC12CCN(Cc1ccccc1O)CC2	877783067	BOQACOFCCGKJEA-UHFFFAOYSA-N	260.337	1.494	10	20	CDCD	
CCCn1cc(CNCc2cccc(OC)c2O)nn1	877525400	BOPIFJSRIZJPNU-UHFFFAOYSA-N	276.340	1.692	10	20	CDCD	
COC1CC(C(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)C1	876507300	ZYLOFSRQKCFPRL-PESDSKBTSA-N	291.395	1.294	10	20	CDCD	
CCOc1ccc(CN2CC[C@@H](C)C[C@@H]2C(N)=O)c(O)c1	779201371	YUUDHCQLTHJVCM-BXUZGUMPSA-N	292.379	1.877	10	20	CDCD	
C[C@@H](N=c1ncnc2[nH][nH]cc1-2)c1ccc(N(C)C)cc1	772299791	HRYCFCDVYJVTDF-SNVBAGLBSA-N	282.351	1.966	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cnc[nH]1	773741479	ZRMNACGVFDXLIG-MRVPVSSYSA-N	261.281	1.182	10	20	CDCD	
OC[C@@H]1[C@H]2CN(Cc3cc(F)cc(F)c3O)C[C@H]21	894841119	XQRZFKVKJXIOPM-URLYPYJESA-N	255.264	1.341	10	20	CDCD	
C[C@H](NC(=O)C(=O)NC1CCC1)c1ccc(N(C)C)cc1	788463642	SHQJOXDSJZJRMU-NSHDSACASA-N	289.379	1.599	10	20	CDCD	
CN(C)c1ccc([C@@H](CN[C@@H]2CCOC2)N(C)C)cc1	898451294	WXWDXCPBXXBMKD-GDBMZVCRSA-N	277.412	1.734	10	20	CDCD	
NC(=S)c1ccc(C(=O)NCc2ccccc2O)cc1	798334493	YKRVXYLIYJILDC-UHFFFAOYSA-N	286.356	1.956	10	20	CDCD	
CS[C@@H](C)CNC(=O)c1c(F)ccc(O)c1O	790075226	JOEMECBGGOWPCZ-LURJTMIESA-N	259.302	1.718	10	20	CDCD	
CC[C@@H](N[C@H](CO)COC)c1ccc(F)cc1O	796979563	GMOSFRRARKXJMD-ZYHUDNBSSA-N	257.305	1.579	10	20	CDCD	
CN(C)C(=O)CNCc1ccc(Br)cc1O	691428096	JKJORBCERYUIEN-UHFFFAOYSA-N	287.157	1.333	10	20	CDCD	
COCC1(NCc2cc3c(cc2O)OCO3)CC1	765272709	UBKZARNVHDHSKN-UHFFFAOYSA-N	251.282	1.390	10	20	CDCD	
CN(C)c1ccc(CNCc2nnc3n2CCOC3)cc1	1320717082	OBMOKXGFAJCXPA-UHFFFAOYSA-N	287.367	1.164	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](C)n1ccnc1	1320690105	DYLGZRCTISGXLS-QWRGUYRKSA-N	289.335	1.603	10	20	CDCD	
CN1CCC[C@H](NCc2cc(F)c(N(C)C)cc2F)C1=O	1328688391	APCJTOYYJIGCKC-ZDUSSCGKSA-N	297.349	1.741	10	20	CDCD	
C[C@H](CO[C@@H]1CCOC1)NC(=O)NCc1ccc(N)cc1	1335528150	BOHNFAPPSBOZTK-BXUZGUMPSA-N	293.367	1.262	10	20	CDCD	
O=C(O)[C@@H](F)CNCc1ccc(N2CCOCC2)cc1	1339254209	KVGDEKSHXLGLGK-ZDUSSCGKSA-N	282.315	1.036	10	20	CDCD	
C[C@H](NC1CC1)C(=O)NCc1c(O)cccc1F	1263199989	WVSOLKZDMFMCAJ-QMMMGPOBSA-N	252.289	1.288	10	20	CDCD	
O=C(O)/C=C\c1ccc(N2CC[C@@H]2CO)c([N+](=O)[O-])c1	1601881171	ORDGCTMMYYBBFV-WUWIAWFRSA-N	278.264	1.264	10	20	CDCD	
CCN(C(=O)c1ccc(C)c(O)c1O)[C@H](C)C(=O)O	1603714749	UEVZSODEDOOPNP-MRVPVSSYSA-N	267.281	1.341	10	20	CDCD	
NC(=O)N=Nc1ccc(C(=O)NC2(C(=O)O)CC2)cc1	1601155169	DLRCBCDHEGDQGW-UHFFFAOYSA-N	276.252	1.196	10	20	CDCD	
CN(C(=O)/C=C/c1ccc(O)c(O)c1)C(C)(C)CC(=O)O	1610089514	UKJLXQROCYICJY-FNORWQNLSA-N	293.319	1.823	10	20	CDCD	
C[C@@H]1OCC[C@]1(O)CNCc1ccc(N(C)C)cc1	227975299	XQWFJZXDJQXBPW-WFASDCNBSA-N	264.369	1.382	10	20	CDCD	
CCC[C@](C)(O)CNC(=O)c1cccc(O)c1O	229388919	YFEZZJOVHDLWOZ-ZDUSSCGKSA-N	253.298	1.379	10	20	CDCD	
CO[C@@H](CC(C)C)C(=O)NCc1ccc(N)cc1	1578901334	SRTVAGGFTAIFOD-ZDUSSCGKSA-N	250.342	1.946	10	20	CDCD	
CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@H]1CC12CNC2	1578489706	HGGOFOHCTAYXKY-MRXNPFEDSA-N	299.418	1.855	10	20	CDCD	
NC[C@@H](NCc1cc(F)cc(F)c1O)C(F)(F)F	1580228771	FKNBTKBGSJSYBG-MRVPVSSYSA-N	270.201	1.650	10	20	CDCD	
C[C@H](CN(C(=O)c1cc(O)cs1)C1CC1)C(=O)O	1592562976	YBVFVRQOUSTBIU-SSDOTTSWSA-N	269.322	1.779	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N[C@H]1CC[C@@H](C(=O)O)C1	1594674178	CXPGHADIGGWYIC-IEBGOTJBSA-N	291.303	1.481	10	20	CDCD	
CCOC(=O)[C@H](NC(=O)Cc1ccc(N)cc1)[C@H](C)CC	161504222	XZGKONIBZRKRDC-IAQYHMDHSA-N	292.379	1.905	10	20	CDCD	
COCCN1CCN(Cc2cc(C)c(C)cc2O)CC1=O	160788151	FXFYOCSQKQBGMY-UHFFFAOYSA-N	292.379	1.300	10	20	CDCD	
Cc1ccc(CN2CCS(=O)(=O)[C@H](C)[C@@H]2C)c(O)c1	876753932	KSDWEOWWWIMPPR-NWDGAFQWSA-N	283.393	1.708	10	20	CDCD	
Cc1ccc(O)c([C@@H](C)NCC(=O)NC(C)C)c1	36781648	LLUAXVMNISNGSU-LLVKDONJSA-N	250.342	1.876	10	20	CDCD	
CCOCCOCCNCc1cc(F)ccc1O	897204274	MSPOCKWTVHNNJH-UHFFFAOYSA-N	257.305	1.674	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)Cc1ccn(C)n1	183918167	BRNIDHXIGTZSLN-UHFFFAOYSA-N	259.309	1.327	10	20	CDCD	
C[C@@H](CO)NC(=O)NCc1ccc2c(c1)CCCN2C	57661944	GENUUYAKLQEYFQ-NSHDSACASA-N	277.368	1.249	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)NCCn1cccn1	114973065	PVVUNBHSHHPXCN-UHFFFAOYSA-N	274.324	1.430	10	20	CDCD	
COc1ccc(N(C)CC(=O)N2CCO[C@@H](C)C2)cc1F	177070112	PWEOGJMTHIXRAZ-NSHDSACASA-N	296.342	1.518	10	20	CDCD	
CCC[C@](C)(O)C(=O)NCc1ccc(N(C)C)cc1	119852129	NELANIZPUHJPKQ-HNNXBMFYSA-N	264.369	1.920	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2c[nH]c(C)cc2=O)c1	177163351	MSBOHUXWSZYWML-UHFFFAOYSA-N	288.303	1.328	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)C1(O)CCCC1	122715992	FVYFHLFQKWMNSW-UHFFFAOYSA-N	265.309	1.062	10	20	CDCD	
C[C@@H](C(=O)N(C)C)N1CCOc2cc(N(C)C)ccc21	130428909	OXFJUDCVXZPDDN-NSHDSACASA-N	277.368	1.428	10	20	CDCD	
O=[N+]([O-])c1ccc(O)c(CN[C@H]2CCC[C@@H]2CCO)c1	189929918	KTKZODRELFFOIS-MFKMUULPSA-N	280.324	1.941	10	20	CDCD	
CCOCCONC(=O)NCc1ccc(N(C)C)cc1	185731893	RYIJIFWOIMCEMX-UHFFFAOYSA-N	281.356	1.520	10	20	CDCD	
COc1ccc(O)c([C@@H](C)N[C@H]2CC(=O)N(C3CC3)C2)c1	186088594	JIFLUXBPHOYLDW-MNOVXSKESA-N	290.363	1.815	10	20	CDCD	
O=C(C[C@H]1CSCCN1)NCc1ccccc1O	228420540	KXYHIHPXADOQNV-NSHDSACASA-N	266.366	1.104	10	20	CDCD	
O=C(NCc1ccccc1O)[C@H](F)C(F)(F)F	290587621	OEHSTHYDUGQXRA-QMMMGPOBSA-N	251.179	1.909	10	20	CDCD	
C[C@@]1(CO)CN(Cc2c(O)cccc2Cl)C[C@]1(C)CO	529667972	BWUFGIVDHDCZEL-GASCZTMLSA-N	299.798	1.858	10	20	CDCD	
COc1cccc(CN2CC[C@@H](N)[C@H](C)C2)c1O	251799429	NWELMVBKDFDFAQ-ZYHUDNBSSA-N	250.342	1.570	10	20	CDCD	
CN(CCO)C(=O)NCc1ccc(N2CC=CC2)cc1	271095320	WBTSMFIQHAIFFL-UHFFFAOYSA-N	275.352	1.197	10	20	CDCD	
C[C@@H](NCCCS(C)(=O)=O)c1ccc(F)c(F)c1O	276979735	VQNFWVRBPKZGDQ-MRVPVSSYSA-N	293.335	1.756	10	20	CDCD	
CCOc1cccc(CN2CC[C@@H](n3cncn3)C2)c1O	372370114	SBJQVGICNYKQAU-CYBMUJFWSA-N	288.351	1.829	10	20	CDCD	
Cn1ncc2c1C[C@H](C(=O)NCc1ccccc1O)CC2	282821185	RSKXJWWKAQMYLG-LLVKDONJSA-N	285.347	1.547	10	20	CDCD	
CC[S@@](=O)CC(=O)NCc1c(O)ccc2c1CCCC2	294836461	FJIYNSBVCPVCCF-HXUWFJFHSA-N	295.404	1.656	10	20	CDCD	
O=C(NCCCn1cccn1)NCc1ccccc1O	299517268	PJIQPNDDKZYBMQ-UHFFFAOYSA-N	274.324	1.478	10	20	CDCD	
COC(=O)c1cnc(SCCc2cnn(C)c2)s1	295428254	YWTWRLMQPFEDEK-UHFFFAOYSA-N	283.378	1.998	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCOC[C@H](C2CCC2)C1	293968386	UMVFXSOBWGFAOT-GFCCVEGCSA-N	291.347	1.987	10	20	CDCD	
Cc1sc(=O)n(CC(=O)NCc2ccccc2O)c1C	299617564	YZHGKDGHJYCZCP-UHFFFAOYSA-N	292.360	1.549	10	20	CDCD	
C[C@@H]1CN(C(=O)COc2ccc(N(C)C)cc2)CCO1	810001126	XYTIKWQWVGJPDB-GFCCVEGCSA-N	278.352	1.379	10	20	CDCD	
CN(C)c1nc(NCc2c(O)ccc(Cl)c2F)n[nH]1	818214899	PNKLAMFOTIANMW-UHFFFAOYSA-N	285.710	1.981	10	20	CDCD	
COCCNCCN[C@H](C)c1ccc(C)c(C)c1O	817965455	VCQOOBGRSRGIIO-CYBMUJFWSA-N	266.385	1.896	10	20	CDCD	
Nc1ccc(CCN[C@@H](C2CC2)[C@H]2CNCCO2)cc1	817958840	ZOEIOAIPAOSHKF-CVEARBPZSA-N	275.396	1.168	10	20	CDCD	
O=C(NCc1cc(Cl)ccc1O)[C@H]1CCOC1	823985724	BQMHEKQPZDAFRF-QMMMGPOBSA-N	255.701	1.698	10	20	CDCD	
C[C@@H]1CC(NC(=O)c2c(F)ccc(O)c2O)C[C@@H](C)O1	827631038	ZPEFREALVVXBET-HTQZYQBOSA-N	283.299	1.923	10	20	CDCD	
Cc1cc(O)c(CNCc2nnnn2C2CC2)cc1Cl	825319782	BPRNMRBVQRXRBI-UHFFFAOYSA-N	293.758	1.965	10	20	CDCD	
CN1CCCc2cc(CNC(=O)[C@H](O)C3CC3)ccc21	824682924	PCPUUUAPJHKQHJ-OAHLLOKOSA-N	274.364	1.456	10	20	CDCD	
CN(Cc1cc2c(cc1O)OCO2)C1(CO)CCC1	827903202	FRYBWIGQRXBDNI-UHFFFAOYSA-N	265.309	1.468	10	20	CDCD	
C[C@@H]1NCC[C@H]1C(=O)NCc1ccc(N2CCCC2)cc1	827004325	FFCVNCJGBRQLSD-XJKSGUPXSA-N	287.407	1.901	10	20	CDCD	
COc1ccc(N(CC(=O)NCC(=O)O)CC(C)C)cc1	820841026	FFNKXALXHKRAGR-UHFFFAOYSA-N	294.351	1.358	10	20	CDCD	
OCCCN1CCC[C@@H]1CNCc1c(O)cccc1Cl	824559036	CYRPWUWBDDSILJ-GFCCVEGCSA-N	298.814	1.982	10	20	CDCD	
C[C@@H](NC(=O)c1cc2n(n1)CCCO2)c1ccccc1O	827946669	NXXDFUYRYWXRFX-SNVBAGLBSA-N	287.319	1.862	10	20	CDCD	
COc1cccc(CNC(=O)[C@H]2[C@H]3C(=O)CC[C@H]32)c1O	907061660	WOIQXRFXZLLDKO-OASPWFOLSA-N	275.304	1.242	10	20	CDCD	
COC(=O)N(C)CC(=O)NCc1ccc(N(C)C)cc1C	734407352	OYMXFGMVGYHSGY-UHFFFAOYSA-N	293.367	1.375	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NS(=O)(=O)C2(C)CC2)c1	830623468	RZBPHXZGOXBJLE-SECBINFHSA-N	285.365	1.934	10	20	CDCD	
Cc1cc2ncc(C(=O)NCc3ccccc3O)c(C)n2n1	748347208	ZOACQGBUQDTYFB-UHFFFAOYSA-N	296.330	1.982	10	20	CDCD	
COCCCS(=O)(=O)NCc1cc(Cl)ccc1O	845997246	ZLHOGKWNIKLVIH-UHFFFAOYSA-N	293.772	1.502	10	20	CDCD	
Nc1ccc(CCNC(=O)NC(CF)CF)cc1	841955384	AEQNEWAEBMCGMT-UHFFFAOYSA-N	257.284	1.418	10	20	CDCD	
CCCN(Cc1ccccc1O)C[C@](C)(O)CNC	846218396	MZRPAQFKWMSSTM-OAHLLOKOSA-N	266.385	1.575	10	20	CDCD	
Oc1c(Cl)cccc1CNC[C@H]1CNCCO1	841098145	DKYCLZHVUPSCFG-SNVBAGLBSA-N	256.733	1.124	10	20	CDCD	
Nc1ccc(CCNC(=O)NCCc2ccncc2)cc1	841859310	ATXRHZWMWJEMMY-UHFFFAOYSA-N	284.363	1.748	10	20	CDCD	
COc1ccc(O)c(CN2CCC[C@H](CO)[C@H]2C)c1	840977854	KLSNYKGFOHXXBF-VXGBXAGGSA-N	265.353	1.994	10	20	CDCD	
CCN1C[C@@H](CNCc2ccc3c(c2)CCO3)CC1=O	846092596	GLIDGZKRBLVAFZ-CYBMUJFWSA-N	274.364	1.580	10	20	CDCD	
COC[C@H](CCO)N[C@H](C)c1cccc(OC)c1O	846144571	LFWXUMYHDOSYFD-MNOVXSKESA-N	269.341	1.449	10	20	CDCD	
COC[C@@H](C)NC(=S)NCc1ccccc1O	748159401	WIJWSBUYFACHJM-SECBINFHSA-N	254.355	1.391	10	20	CDCD	
Nc1ccc(NC(=O)C(=O)N2CC3(CCCC3)C2)cc1	841096505	YNFXFNWRAJMQPF-UHFFFAOYSA-N	273.336	1.610	10	20	CDCD	
CCOc1cccc(CNCC(F)(F)CN)c1O	841059582	GFXDXESLXIKZDJ-UHFFFAOYSA-N	260.284	1.475	10	20	CDCD	
C[C@@H]1COC[C@H]1NCc1ccc(N2CCOCC2)c(F)c1	922640528	GPXZTHVGDSMYRY-IUODEOHRSA-N	294.370	1.787	10	20	CDCD	
CCCCN(Cc1ccccc1O)C[C@@H](O)[C@H](C)O	930351310	OKICJDULLNWDKS-SWLSCSKDSA-N	267.369	1.736	10	20	CDCD	
O=C(CCc1cnn[nH]1)NCc1ccc(N2CCCC2)cc1	864862780	NGXVYFLRWXAMLB-UHFFFAOYSA-N	299.378	1.654	10	20	CDCD	
COC/C=C/C(=O)N[C@H](C)c1cc(OC)ccc1O	866764757	ORXSSHVHWYRDDW-ORAHPGNNSA-N	265.309	1.781	10	20	CDCD	
CN(C[C@H]1C[C@@H](O)C1)C(=O)/C=C/c1ccc(O)c(O)c1	863383015	GUNYLXDYCUKXIX-OIWRZFCRSA-N	277.320	1.340	10	20	CDCD	
CCN1CCN(Cc2cc(F)c(N(C)C)cc2F)CC1=O	862324666	RJZZYEMWBHLXQL-UHFFFAOYSA-N	297.349	1.695	10	20	CDCD	
O=C(Cc1nc[nH]n1)NCc1ccc(N2CCCCC2)cc1	865031370	NAAIBAXZWWIGFG-UHFFFAOYSA-N	299.378	1.654	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)[C@@H]1CCOC(=O)N1	1118847988	XJSBQIKFQKNFJR-LBPRGKRZSA-N	292.335	1.629	10	20	CDCD	
CCNS(=O)(=O)N[C@@H](C)c1ccc(N(C)C)cc1	773088725	OFWMPZWCJCLMJH-JTQLQIEISA-N	271.386	1.258	10	20	CDCD	
CN1CCCc2cc(CNC(=O)[C@H]3C[C@@H](O)C3)ccc21	874251480	LESSQOHTXUEOLC-OKILXGFUSA-N	274.364	1.456	10	20	CDCD	
CC[C@@H](CO)C(=O)NCc1ccc(N(C)C)cc1	779584856	WPAYAUSCGGVRLT-LBPRGKRZSA-N	250.342	1.387	10	20	CDCD	
COc1ccc(CN2CCSC[C@H]2CO)c(O)c1OC	895923117	ISQMUZSEHLAPLK-LLVKDONJSA-N	299.392	1.319	10	20	CDCD	
COc1ccc(NC(=O)c2c(F)ccc(O)c2O)cn1	789941418	LXGJBDBRHSXQJW-UHFFFAOYSA-N	278.239	1.893	10	20	CDCD	
CNC(=O)C(C)(C)CNCc1ccc(OC)c(OC)c1O	893199788	OOKJKYVKEUXZHZ-UHFFFAOYSA-N	296.367	1.271	10	20	CDCD	
CNC(=O)[C@]1(C)CCN(Cc2cc(OC)c(C)cc2O)C1	797414119	VCCYEWNQBKJJSZ-MRXNPFEDSA-N	292.379	1.667	10	20	CDCD	
CCO[C@H]1COCC[C@H]1NC(=O)c1cccc(O)c1O	790933734	XYGJNPLKLPKOBK-PWSUYJOCSA-N	281.308	1.022	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@@H]1CCCOC1	793796521	LFNGBWFREBHWMQ-YPMHNXCESA-N	293.363	1.962	10	20	CDCD	
COc1ccnc(C(=O)NCc2ccccc2O)c1	734862479	JFBGLACECLFXIH-UHFFFAOYSA-N	258.277	1.726	10	20	CDCD	
COc1ccc(O)c(CN[C@H]2CCn3ccnc3C2)c1	779191387	HTGWUWSPNMSIGJ-LBPRGKRZSA-N	273.336	1.702	10	20	CDCD	
Nc1ccc(CCNC(=O)C[C@@H]2CCCCO2)cc1	95030819	JWANXHLTAHFJKP-AWEZNQCLSA-N	262.353	1.887	10	20	CDCD	
CC(C)CNC(=O)CN[C@@H](C)c1cc([N+](=O)[O-])ccc1O	1323831280	WXJXUODSSXHGAZ-JTQLQIEISA-N	295.339	1.723	10	20	CDCD	
Cn1nccc1C(=O)Nc1c(Cl)ccc2nonc12	1322263745	JJRCMMYBRCIGEJ-UHFFFAOYSA-N	277.671	1.862	10	20	CDCD	
Nc1ccc(CC(=O)N2CC[C@@H]3[C@H](C2)C3(F)F)cc1	1580443071	OQMIDGKUSKJBTR-NEPJUHHUSA-N	266.291	1.925	10	20	CDCD	
C[C@H](NC(=O)NCC1(N)CC1)c1ccc(N(C)C)cc1	1262579826	AUJKKHDYMDKLEY-NSHDSACASA-N	276.384	1.604	10	20	CDCD	
Nc1ccc(CNC(=O)c2ccc3c(c2)CCNCC3)cc1	1343474775	ZHNBINAQDRXEKS-UHFFFAOYSA-N	295.386	1.887	10	20	CDCD	
O=C1NC(=S)S/C1=C/c1cc(C(=O)O)co1	1609044365	USJQNRMOXANIBE-QHHAFSJGSA-N	255.276	1.467	10	20	CDCD	
Cc1cc(-c2nn[nH]n2)nc(N(C)Cc2ccccc2O)n1	1605555484	HHCLSKHBFURPCQ-UHFFFAOYSA-N	297.322	1.307	10	20	CDCD	
COC(=O)C[C@H](C)CC(=O)NCCc1ccc(N)cc1	1578802929	UWBCHEHQLXHTIR-LLVKDONJSA-N	278.352	1.517	10	20	CDCD	
C[C@@H]1CCN[C@@H](C(=O)N2Cc3cccc(O)c3C2)C1	1576744426	JAOAFGRGZPMFCL-ZWNOBZJWSA-N	260.337	1.623	10	20	CDCD	
C[C@@H](N)CC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	1579399448	SIXLHAFWPSMMPM-GFCCVEGCSA-N	275.396	1.981	10	20	CDCD	
Cc1ccc([C@@H](C)NCCS(=O)(=O)N(C)C)c(O)c1	230994652	MEJGBJWKZDRMFE-LLVKDONJSA-N	286.397	1.243	10	20	CDCD	
CN(CC(=O)O)Cc1cc(Br)ccc1O	234277489	BWPNLXYRJOORHD-UHFFFAOYSA-N	274.114	1.671	10	20	CDCD	
Cc1nn(C)cc1C(=O)N[C@H](C)c1ccccc1O	827937463	XROMMMKTGDIIOP-SECBINFHSA-N	259.309	1.925	10	20	CDCD	
COc1ccc(N(C)CCCN2C(=O)CNC2=O)cc1	844352909	CEMORGPTHBQSBB-UHFFFAOYSA-N	277.324	1.073	10	20	CDCD	
COC(=O)N1CCN(Cc2c(C)cccc2O)CC1	876626347	WKRWRQZAQCMVHR-UHFFFAOYSA-N	264.325	1.585	10	20	CDCD	
C[C@H](N[C@H]1CC(=O)N(C)C1)c1ccc(N(C)C)cc1	268870739	UIZHOOZHMLLITG-AAEUAGOBSA-N	261.369	1.634	10	20	CDCD	
Cc1ccc([C@H](C)NCC(=O)NCC2CC2)c(O)c1	186505524	XYQFXMYYGMCXCA-NSHDSACASA-N	262.353	1.877	10	20	CDCD	
CCN(CC(=O)N(C)C)Cc1cc(F)cc(F)c1O	708413726	NKCCTURXTVMTKV-UHFFFAOYSA-N	272.295	1.581	10	20	CDCD	
CCc1cccc(CNC(COC)COC)c1O	691450119	XGASKPARFJVERK-UHFFFAOYSA-N	253.342	1.706	10	20	CDCD	
C[C@H](O)[C@@H]1CCN(Cc2ccc(N3CCOCC3)cc2)C1	305842873	HNFRVFZPMQZTOP-GOEBONIOSA-N	290.407	1.726	10	20	CDCD	
C[C@H](Nc1ccc2nnnn2n1)c1ccc(N(C)C)cc1	302470422	WMMSNBKLTOHPEU-JTQLQIEISA-N	283.339	1.758	10	20	CDCD	
COc1ccc(O)c([C@H](C)NCCN2CCOC[C@@H]2C)c1	185340178	CUDDEEGJLSWIBS-STQMWFEESA-N	294.395	1.772	10	20	CDCD	
COCc1noc(CN(C)c2ccc3c(c2)OCO3)n1	180185306	OGWVGPQHSFWBKR-UHFFFAOYSA-N	277.280	1.581	10	20	CDCD	
Nc1ccc(CC(=O)N2CCC[C@@H](N3CCCC3)C2)cc1	37824231	ACKOZSIUWDECEX-MRXNPFEDSA-N	287.407	1.898	10	20	CDCD	
Cc1nccc(CNC(=O)c2ccc(C)c(O)c2O)n1	182151220	VBLCYBINCMUSBW-UHFFFAOYSA-N	273.292	1.435	10	20	CDCD	
Cn1cc(/C=C\C(=O)N2CCc3ccc(C(=O)O)cc32)cn1	317155825	RYAYCQJIGJLNJT-DJWKRKHSSA-N	297.314	1.721	10	20	CDCD	
CCOC(=O)C(C)(C)C(=O)NCc1ccc(N(C)C)cc1	134547859	VZMUGFIMQLSAHW-UHFFFAOYSA-N	292.379	1.958	10	20	CDCD	
COC(=O)[C@H](NCc1cc(Cl)cc(C)c1O)[C@@H](C)O	191958735	ZXEMBPBUTSMDHW-LDYMZIIASA-N	287.743	1.366	10	20	CDCD	
CCOc1cccc(CN(C)CCCC(=O)NC)c1O	93717681	IWPVEPRMHLFHCR-UHFFFAOYSA-N	280.368	1.749	10	20	CDCD	
C[C@@H](NCC1CCS(=O)(=O)CC1)c1ccccc1O	179893976	REFMSUHUKIKIIN-LLVKDONJSA-N	283.393	1.868	10	20	CDCD	
C[C@@H](O)CCN(C)C(=O)NCc1ccc(N(C)C)cc1	266537101	OFSPADONIDLLAD-GFCCVEGCSA-N	279.384	1.665	10	20	CDCD	
COc1cc(O)c(CN[C@H](C)c2cn[nH]c2)cc1OC	271799901	INXWYIQQDZUZGT-SECBINFHSA-N	277.324	1.983	10	20	CDCD	
COC[C@@H](NC(=O)NCc1ccccc1O)[C@H]1CCCO1	279555248	RSBXQRVOWGCTRU-TZMCWYRMSA-N	294.351	1.385	10	20	CDCD	
COC(=O)[C@@H](C)NCc1cc(OC)c(OC)cc1O	272442985	UCRSRODYSKSZKD-MRVPVSSYSA-N	269.297	1.061	10	20	CDCD	
CCCN(CC(=O)OCC)Cc1cc2c(cc1O)OCO2	270095731	DJVHXKDTFHBBHX-UHFFFAOYSA-N	295.335	1.896	10	20	CDCD	
CCN(CC)c1ccc(CN2C[C@H](O)[C@@H](O)C2)cc1F	278355230	IZTOYJAMFRUJGT-GJZGRUSLSA-N	282.359	1.209	10	20	CDCD	
CC[C@H](NC(=O)c1ccc(C)c(O)c1O)C(=O)OC	272777671	UIKNSBFISCOBQF-VIFPVBQESA-N	267.281	1.088	10	20	CDCD	
CCN(CC(=O)NCc1ccc(N(C)C)cc1)[C@H](C)CO	298546589	YDSXPSMAUPDYEI-CYBMUJFWSA-N	293.411	1.072	10	20	CDCD	
COC[C@]1(C(=O)OC)CCN(Cc2ccccc2O)C1	294994395	HVDPHFYSYJEIGF-HNNXBMFYSA-N	279.336	1.404	10	20	CDCD	
CC[C@H]1CN(C(=O)c2c(F)ccc(O)c2O)CCCO1	295070383	CVOMCECHOXIJCJ-VIFPVBQESA-N	283.299	1.878	10	20	CDCD	
Oc1cccc2c1[C@@H](NC[C@@H](O)CN1CCCC1)CC2	296077927	SJRDIZNQLCOWMO-KGLIPLIRSA-N	276.380	1.426	10	20	CDCD	
O=C(CSC(F)F)NCc1ccc(O)c(O)c1	296664041	YQXWNVCUWFPNOO-UHFFFAOYSA-N	263.265	1.670	10	20	CDCD	
O=C(NOC1CCCC1)c1c(F)ccc(O)c1O	297378285	DDZTUOMPDFORBQ-UHFFFAOYSA-N	255.245	1.841	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@H]2C[C@H]3CC[C@H]2NC3)cc1	394694248	QSCQAQYJIVGFFY-FVQBIDKESA-N	287.407	1.757	10	20	CDCD	
CCOc1cccc(CNCC2(CC(N)=O)CC2)c1O	817411647	WOULEKAMFPTPCC-UHFFFAOYSA-N	278.352	1.536	10	20	CDCD	
C[C@@H](NC[C@H](N)c1ccc(N(C)C)cc1)[C@@H]1CCCN1	817942967	SGSPMQDMOTWIIR-KCXAZCMYSA-N	276.428	1.483	10	20	CDCD	
CCN(C)c1ccc(CN2CC[C@@H](S(C)(=O)=O)C2)cc1	815110070	RAUSTDVCVZTDNP-OAHLLOKOSA-N	296.436	1.762	10	20	CDCD	
COc1ccc(N2CC[C@@H](CNC(=O)C3(N)CC3)C2)cc1	818613428	OOGTVCYIKLEVTN-LBPRGKRZSA-N	289.379	1.129	10	20	CDCD	
O=C1CCCN1C[C@H]1CCN(Cc2ccccc2O)C1	827634717	ZQJAOYMSDWFMAI-ZDUSSCGKSA-N	274.364	1.837	10	20	CDCD	
C[C@H]1[C@H](C)S(=O)(=O)CCN1C(=O)c1cc(O)cs1	736710373	OUELCSHLJOURLV-YUMQZZPRSA-N	289.378	1.101	10	20	CDCD	
C[C@@H]1CC[C@H](CNC(=O)/C=C\c2ccc(O)c(O)c2)O1	837282174	HANLXBMAHIUGEE-ZOZIERIHSA-N	277.320	1.795	10	20	CDCD	
CNC(=O)Cc1ccc(NC(=O)c2cc(O)cs2)cc1	732267453	FWBUYPYVWYRDGB-UHFFFAOYSA-N	290.344	1.995	10	20	CDCD	
CCn1cc(CN(C)C(=O)c2cc(O)cs2)cn1	733809727	FSLFDFDGZXUMAD-UHFFFAOYSA-N	265.338	1.942	10	20	CDCD	
COC[C@H](NC(=O)NCc1ccccc1O)C(C)C	743637446	KUKJPTCPPFBZGS-LBPRGKRZSA-N	266.341	1.862	10	20	CDCD	
Cn1cccc(NC(=O)c2cc(O)cs2)c1=O	740926337	KOLUYJBESHPBSG-UHFFFAOYSA-N	250.279	1.405	10	20	CDCD	
C[C@H]1CSCCN1C(=O)NCCc1ccc(N)cc1	841955000	SNNJVXOTWGFTRO-NSHDSACASA-N	279.409	1.958	10	20	CDCD	
CCOc1ccc(CN[C@H](CO)[C@@H]2CCCOC2)c(O)c1	840962715	MYNILTUHVCGEPW-UKRRQHHQSA-N	295.379	1.668	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H](C)CN)c1	841961361	AJDDOJYNNCFJJR-VHSXEESVSA-N	281.356	1.356	10	20	CDCD	
COC[C@@H](CCO)N[C@H](C)c1cccc(OC)c1O	846144569	LFWXUMYHDOSYFD-GHMZBOCLSA-N	269.341	1.449	10	20	CDCD	
CCc1cccc(CNC[C@@H]2CN3CCC[C@H]3CO2)c1O	848896120	SIQGEWAQJVAMSK-JKSUJKDBSA-N	290.407	1.907	10	20	CDCD	
Cc1ccnc(CN(C)c2ccc(OCC(=O)O)cc2)n1	846279396	BWPDIEUETYJMMY-UHFFFAOYSA-N	287.319	1.885	10	20	CDCD	
COC(=O)[C@@H]1CN(Cc2c(O)cccc2OC)C[C@H](C)O1	846059881	MONHDTAIFIVRJA-HZMBPMFUSA-N	295.335	1.163	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CC[C@@H](N)[C@@H](C)C2)c1O	843353595	LSBZDDDXXVZQCL-LKFCYVNXSA-N	280.343	1.903	10	20	CDCD	
C[C@H]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(N)cc1	841124870	WGPPTUHJBYMWKC-QWRGUYRKSA-N	275.352	1.760	10	20	CDCD	
Cc1cnn(C)c1C(=O)N[C@H](C)c1ccccc1O	1330897080	PAKIROWFGTZJGE-SNVBAGLBSA-N	259.309	1.925	10	20	CDCD	
COCC(COC)NCc1cc(F)c(N(C)C)cc1F	858172292	PSEIKLPXPMABJX-UHFFFAOYSA-N	288.338	1.782	10	20	CDCD	
O=C(O)CCCC(=O)NCCCSc1nccs1	1118223547	WVIWSDRJLPBMBA-UHFFFAOYSA-N	288.394	1.996	10	20	CDCD	
C[C@@H](NS(=O)(=O)CC[C@H]1CCCO1)c1ccccc1O	867833855	CKOCBWDGKHJKMI-VXGBXAGGSA-N	299.392	1.942	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC[C@H]1COCCN1	863650133	OQVLLCZDWMATAR-AWEZNQCLSA-N	263.385	1.139	10	20	CDCD	
COc1ccc(N(C)C(=O)/C=C\c2cnn(C)c2)nc1	766845526	CZGOUECYXDTZBI-DAXSKMNVSA-N	272.308	1.500	10	20	CDCD	
C[C@H]1CC[C@@H](C)N1CC(=O)NCc1ccccc1O	769365137	NGVMZBUNRDBKAJ-TXEJJXNPSA-N	262.353	1.881	10	20	CDCD	
CS[C@@H]1CN(C(=O)c2cc(O)cs2)C[C@@H]1N(C)C	765273773	XOVOIZOMSDJQKB-GXSJLCMTSA-N	286.422	1.571	10	20	CDCD	
Cc1ccc(CN[C@H](C)CO[C@@H]2CCOC2)c(O)c1	877092867	MEYLTAZDDVSXIK-TZMCWYRMSA-N	265.353	1.984	10	20	CDCD	
COc1cc(C)cc(CN2CC[C@@H](n3cncn3)C2)c1O	776774679	FFMBYDXWLDCUGU-CYBMUJFWSA-N	288.351	1.748	10	20	CDCD	
OC[C@H]1CCN(Cc2cc(Cl)cc(F)c2O)C1	775668947	AWYXBAQKUHUCKP-QMMMGPOBSA-N	259.708	1.999	10	20	CDCD	
CCOc1ccc(CN[C@@H](CO)C[C@@H]2CCCO2)c(O)c1	886229742	VFXURQLOBVLOCI-KGLIPLIRSA-N	295.379	1.811	10	20	CDCD	
CN(C)CCCCC(=O)NCc1ccc(O)c(O)c1	778921456	BKAWAFMRQSOITL-UHFFFAOYSA-N	266.341	1.446	10	20	CDCD	
C[C@@H](NC[C@H](O)C1CCOCC1)c1c(O)cccc1F	886550095	SDYXORFMJUQFAA-YGRLFVJLSA-N	283.343	1.969	10	20	CDCD	
CN(C)c1ccnc(N(C)Cc2ccccc2O)n1	786796534	GUZUAGHMDXZBBJ-UHFFFAOYSA-N	258.325	1.885	10	20	CDCD	
CN1CC[C@@H]1CNCc1cc(Cl)c(F)cc1O	896594007	FIUOVFHCMAOQJI-SECBINFHSA-N	258.724	1.978	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)c1ccc2cncn2c1	786408170	FSDATAJIRGSKSO-UHFFFAOYSA-N	283.287	1.676	10	20	CDCD	
COc1ccc(O)c(CN(C)CC(=O)NC(C)C)c1	133383471	NOPMKZQKZRRHJS-UHFFFAOYSA-N	266.341	1.357	10	20	CDCD	
CCN(C)C(=O)[C@@H](C)N[C@@H](C)c1ccccc1O	188496646	MAGZVHDHXFJZHC-WDEREUQCSA-N	250.342	1.910	10	20	CDCD	
C[C@@]1(C(N)=O)CCN(Cc2cc(Cl)cc(F)c2O)C1	793388677	DYJVIIKLYZNUMH-CYBMUJFWSA-N	286.734	1.882	10	20	CDCD	
C[C@H](CN1CCOCC1)N[C@H](C)c1cc(F)ccc1O	94617176	WNLOJQUVGCCFKQ-VXGBXAGGSA-N	282.359	1.903	10	20	CDCD	
CN[C@H](C)CCNCc1ccc(N2CCOCC2)c(F)c1	1325269477	YHMDKZPTEWCTQG-CYBMUJFWSA-N	295.402	1.750	10	20	CDCD	
O[C@H]1C[C@H](NCc2ccc(N3CCCC3)cc2)C[C@H]1O	1337584619	CTBTXNICNKSYIV-MKZZRHPPSA-N	276.380	1.261	10	20	CDCD	
CCN(C)C(=O)CNCc1cc(F)c(N(C)C)cc1F	1331510337	HCEGBBCZHWIPRD-UHFFFAOYSA-N	285.338	1.599	10	20	CDCD	
Nc1ccc(CNC(=O)NC[C@@H]2CCCC[C@H]2O)cc1	1337070889	ZXESVDCBDZOKDS-GXTWGEPZSA-N	277.368	1.619	10	20	CDCD	
CCN(C[C@H]1CN(C)C(=O)O1)c1ccc(OC)cc1	1347643707	UCLRMQAYXZQHGZ-CYBMUJFWSA-N	264.325	1.972	10	20	CDCD	
COc1cccc(CNC(=O)[C@@H]2[C@@H](C)C2(F)F)c1O	1346695272	LWOGFBIKFGENOM-XCBNKYQSSA-N	271.263	1.918	10	20	CDCD	
Nc1ccc(CN2CCC[C@H]2CN2CCOCC2)cc1	1356083421	PHUREICCQDYEPS-INIZCTEOSA-N	275.396	1.565	10	20	CDCD	
O=C(O)CC1(NC(=O)/C=C/c2ccc(O)c(O)c2)CCC1	1606078001	PUTDNCGCZTWCMK-HWKANZROSA-N	291.303	1.625	10	20	CDCD	
Cc1ccc(O)c([C@H](C)NC[C@@]2(O)CCO[C@@H]2C)c1	228065128	QRKQBANJTJYEED-ZOWXZIJZSA-N	265.353	1.891	10	20	CDCD	
C[C@H](NCc1cc[nH]n1)c1cc(C(=O)O)ccc1O	1593291671	AUARADRUIOWVOT-QMMMGPOBSA-N	261.281	1.664	10	20	CDCD	
CCOCC[C@@H](NCc1cc([N+](=O)[O-])ccc1O)C(=O)O	1776900915	CSCUBCXYKPAMMM-LLVKDONJSA-N	298.295	1.270	10	20	CDCD	
COc1ccc(O)c(CNCCS(=O)(=O)C2CC2)c1	840965842	OHVKAVLFMHWPQM-UHFFFAOYSA-N	285.365	1.068	10	20	CDCD	
CC(C)[C@H](N)CCN(C)C(=O)Cc1ccc(N)cc1	236831075	QNFLCXRYRTWQHZ-CQSZACIVSA-N	263.385	1.643	10	20	CDCD	
COCCN(C)CCNCc1ccc(N(C)C)cc1	61374861	YMJJDPWMSSZUIE-UHFFFAOYSA-N	265.401	1.420	10	20	CDCD	
CCN(CC)c1ccc(CNC[C@@H]2CNC(=O)C2)cc1	398371711	CVEXLEMGPSLSIG-CQSZACIVSA-N	275.396	1.759	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)NCc1cnn(C)c1	54812267	OTHVYWMMBUDUAR-UHFFFAOYSA-N	274.324	1.467	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)COC)cc1F	66841301	KRRSXTYLKZOYLL-UHFFFAOYSA-N	268.332	1.935	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)CNC(=O)NC)cc1	179468226	RTVZGDNXRASOIM-UHFFFAOYSA-N	292.383	1.078	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)c1ccc(C=O)[nH]1	120264441	LDIBIVXKSPTZTM-UHFFFAOYSA-N	258.277	1.805	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2cnsn2)cc1F	121745036	HPYIDDZBKRPSAJ-UHFFFAOYSA-N	280.328	1.673	10	20	CDCD	
CCOc1ccc(O)c(CN(C)CC(=O)NC2CC2)c1	120368262	JXDHOFKQZONKMO-UHFFFAOYSA-N	278.352	1.501	10	20	CDCD	
O=C(NC[C@H]1CCCCO1)c1cccc(O)c1O	126345831	LXGQWKBDHVSCDN-SECBINFHSA-N	251.282	1.397	10	20	CDCD	
COc1ccc(O)c(CN2CCN(C(C)=O)CC2(C)C)c1	182085154	AEAQLTWIAYGVKY-UHFFFAOYSA-N	292.379	1.844	10	20	CDCD	
C[C@H](NCc1ccc(N2CCOCC2)cc1)C(=O)N(C)C	36793876	XNCMOFBROYYINF-ZDUSSCGKSA-N	291.395	1.090	10	20	CDCD	
CCOC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1	181155742	HTTNUBAZTXYBMW-DIECRNLCSA-N	291.347	1.996	10	20	CDCD	
CC[C@H](C)NC(=O)CN1CCOc2cc(N(C)C)ccc21	181127706	NHYKZZXVRONORN-LBPRGKRZSA-N	291.395	1.866	10	20	CDCD	
CC(=O)c1cc(F)cc(CN(C)CC(C)(C)O)c1O	92970294	DETKOQRPTLEELR-UHFFFAOYSA-N	269.316	1.937	10	20	CDCD	
Cc1ccc(C(=O)NC[C@@H]2CCN(C)C2)c(O)c1O	267602383	PPOCOMXEMADVGT-JTQLQIEISA-N	264.325	1.088	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2CCO[C@@H](C)[C@H]2C)c1O	278332731	ZMSCFTYSRAHOOR-ZJUUUORDSA-N	296.323	1.918	10	20	CDCD	
COC(=O)[C@@H]1C[C@@H](OC)CCN1Cc1ccccc1O	360001739	WOPODKIIWWGGTG-STQMWFEESA-N	279.336	1.545	10	20	CDCD	
O=C1CN(Cc2cc(F)ccc2O)CN1C1CC1	280578011	WJNNQCBXPMOWPU-UHFFFAOYSA-N	250.273	1.295	10	20	CDCD	
O=C(NCc1ccc(N2CCOCC2)cc1)[C@H]1CC1(F)F	294365399	BVHKLZQBSMDVLG-CYBMUJFWSA-N	296.317	1.795	10	20	CDCD	
COCCO[C@H]1CCCN(C(=O)c2cccc(O)c2O)C1	801314996	PVGXQWQPZXSTFW-NSHDSACASA-N	295.335	1.365	10	20	CDCD	
CN(Cc1c(O)ccc2ccncc12)Cc1nncn1C	808214667	PQOAMBRMUQOFKV-UHFFFAOYSA-N	283.335	1.701	10	20	CDCD	
O=C(c1c(F)ccc(O)c1O)N1CCC2(CCOCC2)C1	295429491	WMUNHLVFXJRMRS-UHFFFAOYSA-N	295.310	1.880	10	20	CDCD	
C[C@@H](CCO)CCNC(=O)/C=C/c1ccc(O)c(O)c1	295908617	IILZVYXEVBXWPO-JOAKQRRISA-N	279.336	1.636	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)COC(F)F	803089878	LOXAZMQCZUEDFW-ZETCQYMHSA-N	275.251	1.384	10	20	CDCD	
C[C@H]1C[C@@H](CO)CN(C(=O)c2cc(O)cs2)C1	817766817	RVVPTOFAVVGKEU-DTWKUNHWSA-N	255.339	1.544	10	20	CDCD	
COC[C@@H](O)CN[C@@H](C)Cc1ccc(N(C)C)cc1C	819377134	MZRSSONHKOBTEC-BBRMVZONSA-N	280.412	1.589	10	20	CDCD	
CO[C@@H]1COCC[C@H]1CNCc1ccccc1O	824709321	PADLGEAHQPRRQI-GXTWGEPZSA-N	251.326	1.533	10	20	CDCD	
O=C(NCCOC[C@H]1CCCO1)c1c(F)ccc(O)c1O	825863618	UATWEFKAMWIWIB-SECBINFHSA-N	299.298	1.162	10	20	CDCD	
C[C@H](NC(=O)NCc1ccc(N(C)C)cc1)C(C)(C)O	728302486	UDQQTHTVVIEARK-NSHDSACASA-N	279.384	1.711	10	20	CDCD	
COc1ncc(/C=C/C(=O)N2CCCc3n[nH]cc32)cn1	492988797	NPHGCUSUGVDIGW-SNAWJCMRSA-N	285.307	1.201	10	20	CDCD	
CCc1cccc(CN(C)Cc2cn(C)nn2)c1O	827305502	UDTIUFPABBDJBT-UHFFFAOYSA-N	260.341	1.715	10	20	CDCD	
CC(C)N(C)CCNC(=O)c1c(F)ccc(O)c1O	825683452	OKPKPFPDHIVGFJ-UHFFFAOYSA-N	270.304	1.307	10	20	CDCD	
COC[C@H](NCc1ccc(N(C)C)c(F)c1)C(=O)O	901479096	SMUYTZSFUKZKIP-NSHDSACASA-N	270.304	1.081	10	20	CDCD	
C[C@H]1C[C@@H](NC(=O)NCCc2ccc(N)cc2)CO1	831178142	KDXXCZDKIBMOLY-GXFFZTMASA-N	263.341	1.288	10	20	CDCD	
CC(C)[C@H](NC(=O)c1cc(O)cs1)c1ncon1	834534069	ZBWGKCLUOFCGKZ-VIFPVBQESA-N	267.310	1.964	10	20	CDCD	
C[C@@H]1CN(CCCNC(=O)c2cc(O)cs2)C[C@@H](C)O1	731867709	QPFHIVFOMXEXCM-GHMZBOCLSA-N	298.408	1.683	10	20	CDCD	
C[C@@H]1COCC[C@H]1CNC(=O)NCCc1ccc(N)cc1	841903611	YLGLFGHZYIBKTI-OCCSQVGLSA-N	291.395	1.783	10	20	CDCD	
CCOCCCCNC(=O)NCCc1ccc(N)cc1	841713369	ZXOVKELPHLAQGB-UHFFFAOYSA-N	279.384	1.927	10	20	CDCD	
CC[C@H](NC(=O)Cc1ccc(N)cc1)[C@H]1CCCO1	846684806	SDYURNVPCSBGCT-UONOGXRCSA-N	262.353	1.885	10	20	CDCD	
Nc1ccc(CCNC(=O)NCCc2cccnc2)cc1	841676218	KRGWVMZWQAUAMG-UHFFFAOYSA-N	284.363	1.748	10	20	CDCD	
C[C@H](N[C@@H]1CCc2c(nnn2C)C1)c1ccc(F)cc1O	848564194	JGMYUOXRQRPGTF-GXSJLCMTSA-N	290.342	1.868	10	20	CDCD	
O=C(NCc1ccccc1O)C(=O)C1CCSCC1	840921078	NBQNXUGFWKMDSJ-UHFFFAOYSA-N	279.361	1.721	10	20	CDCD	
COC(=O)C[C@H](C)C(=O)NCc1cc(OC)ccc1O	759088661	DZDGRMNLPOPFTE-VIFPVBQESA-N	281.308	1.216	10	20	CDCD	
Cn1ccc(S(=O)(=O)Nc2ccc(O)cc2F)n1	758169058	LPAKBUXQYCCFIS-UHFFFAOYSA-N	271.273	1.066	10	20	CDCD	
C[C@@H](N)CN(C)C(=O)NCc1ccc(N(C)C)c(F)c1	861568480	TWCOERZHFBNYKY-SNVBAGLBSA-N	282.363	1.380	10	20	CDCD	
O[C@@H]1CCOC[C@H]1NCc1ccc(N2CCCCC2)cc1	865749791	JBEMSNMHNFBXAM-IAGOWNOFSA-N	290.407	1.916	10	20	CDCD	
CC(C)C(=O)NCCCNC(=O)c1cc(O)cs1	765234277	RAWULWXNLDBBGJ-UHFFFAOYSA-N	270.354	1.346	10	20	CDCD	
CN1CCCC[C@@H](C(=O)NCCc2ccc(N)cc2)C1=O	876528512	RVNBFNWIIFBJQA-AWEZNQCLSA-N	289.379	1.186	10	20	CDCD	
COC1(CO)CCN(Cc2ccc(N(C)C)c(F)c2)CC1	775203648	GJSXPBLGPDOSDP-UHFFFAOYSA-N	296.386	1.865	10	20	CDCD	
COc1ccc(O)c([C@H](C)NCC(=O)N2CCC2)c1	775362678	HLTYRTYNDQWLQI-JTQLQIEISA-N	264.325	1.284	10	20	CDCD	
Cc1ccc(CN2CCN(C(=O)C3CC3)CC2)c(O)c1	876541841	HHCXGKVMMZIMRT-UHFFFAOYSA-N	274.364	1.755	10	20	CDCD	
C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C(C)(C)O	779531558	OHKLWHSDLSYNMH-IWGCBNPKSA-N	265.309	1.387	10	20	CDCD	
CCN(C)c1ccc(Cn2cc(COCCN)nn2)cc1	881313192	CRQNWKPCBAVTCN-UHFFFAOYSA-N	289.383	1.258	10	20	CDCD	
CCN1C(=O)C(C)(C)N[C@@H]1c1cc(C)cc(OC)c1O	887329249	BZFIZZLALVEVMB-ZDUSSCGKSA-N	278.352	1.938	10	20	CDCD	
COC[C@@H](O)CCN[C@@H](C)c1c(O)cccc1F	886558821	STYODXOFNABPRB-UWVGGRQHSA-N	257.305	1.579	10	20	CDCD	
CO[C@@H]1COC[C@H]1N[C@H](C)c1c(O)cccc1F	886629730	MHFYURDNVQAAGB-HLUHBDAQSA-N	255.289	1.596	10	20	CDCD	
COC(=O)[C@@H](CC(F)F)NCc1cc(C)ccc1O	789582509	RUAGSZKMCGMWSU-SNVBAGLBSA-N	273.279	1.987	10	20	CDCD	
CC[C@@](C)(CO)NC(=O)c1ccc(C)c(O)c1O	782023237	DSGRIRWCWRRSDD-ZDUSSCGKSA-N	253.298	1.297	10	20	CDCD	
CCN(CCC(=O)NC)Cc1cccc(C)c1O	897710589	XVXMGPKRXSIEGB-UHFFFAOYSA-N	250.342	1.659	10	20	CDCD	
C[C@@H](C[C@@H](C)O)NCc1ccc(N2CCOCC2)c(F)c1	782980409	SDEHBVNAMVXWHQ-QWHCGFSZSA-N	296.386	1.911	10	20	CDCD	
C[C@@H]1C[C@@H](O)CN1Cc1cc2c(cc1O)OCO2	788268998	JZQBNJSQLOMDLY-PSASIEDQSA-N	251.282	1.076	10	20	CDCD	
CC[C@H](O)CCCNC(=O)c1ccc(C)c(O)c1O	780954872	AGXHGIIHCROMAF-JTQLQIEISA-N	267.325	1.687	10	20	CDCD	
CC(=O)N1CC[C@@H](CN(C)Cc2cc(F)cc(F)c2O)C1	894094711	LVAQLDNAAZEOPK-NSHDSACASA-N	298.333	1.971	10	20	CDCD	
COc1ccc(CNC(=O)c2cn3ccccc3n2)c(O)c1	794378259	RBOLXAWUSPSAHF-UHFFFAOYSA-N	297.314	1.979	10	20	CDCD	
COc1nc(C)cc(N2CC=C(CCNC(C)=O)CC2)n1	1089802568	RUAIMOUYZASULK-UHFFFAOYSA-N	290.367	1.456	10	20	CDCD	
COC[C@H](NCc1ccc(N2CCCC2)cc1)C(=O)OC	1255649308	PBRGNACOPFYIRQ-HNNXBMFYSA-N	292.379	1.564	10	20	CDCD	
C[C@H]1CN(C(=O)NCc2ccc(N)cc2)CCCO1	1262603553	MJXTZCKKWUMCTQ-NSHDSACASA-N	263.341	1.589	10	20	CDCD	
CCn1c(-c2nc[nH]n2)nnc1N(C)Cc1ccccc1O	1339340664	LELBLSMDKSXEEP-UHFFFAOYSA-N	299.338	1.425	10	20	CDCD	
CC(C)(CO)CCNC(=O)NCc1ccc(N)cc1	1353539016	HAGBBOUUVADDPM-UHFFFAOYSA-N	265.357	1.477	10	20	CDCD	
Cc1nccc(CCC(=O)NCc2cccc(O)c2O)n1	1352670250	NDSGDBCDTQJVFK-UHFFFAOYSA-N	287.319	1.445	10	20	CDCD	
COC[C@@H](NCc1cc(Cl)cc(C)c1O)C(=O)O	1606814351	DUQSRIQGBMMKHR-SNVBAGLBSA-N	273.716	1.543	10	20	CDCD	
O=C(O)[C@]1(CNCc2c(O)cccc2Cl)CCOC1	1601708168	WNZRCVKCHDYPMM-ZDUSSCGKSA-N	285.727	1.627	10	20	CDCD	
CCN1C[C@@H](CSc2ncc(C(=O)O)s2)OC1=O	1605470387	SNCBZAPLKLDBSN-LURJTMIESA-N	288.350	1.774	10	20	CDCD	
COc1cc(Cl)cc(CN[C@H]2CCCCNC2=O)c1O	228670884	YGHFRAWMUOEYQN-NSHDSACASA-N	298.770	1.813	10	20	CDCD	
O=C(O)c1ccc(C(=O)NCc2ccc(O)cc2O)[nH]1	1574965058	APIFESGLJBIIGT-UHFFFAOYSA-N	276.248	1.054	10	20	CDCD	
COc1cc(C)cc(CN2CC(C(=O)O)C2)c1O	1599392658	QXLYDJKHTREWSC-UHFFFAOYSA-N	251.282	1.226	10	20	CDCD	
C[C@H](NCCn1cc(C(=O)O)nn1)c1ccccc1O	1593286903	ZMOBDEAYNMVQBD-VIFPVBQESA-N	276.296	1.033	10	20	CDCD	
CN(C)c1cc(F)c(CN[C@@H](C(=O)O)C2CC2)cc1F	1777037907	DUMHQYGHCJRQEU-CYBMUJFWSA-N	284.306	1.984	10	20	CDCD	
CN(C)CC(C)(C)CNC(=O)c1cccc(O)c1O	126203391	SJZAYBQWNRTNGC-UHFFFAOYSA-N	266.341	1.415	10	20	CDCD	
C[C@H](NCC1(CO)CCOCC1)c1ccccc1O	183625256	WSIMFQYOJLKGPI-LBPRGKRZSA-N	265.353	1.832	10	20	CDCD	
CCn1cc(CNCc2cc(Cl)ccc2O)nn1	404422301	UAPSAULCHGEYHU-UHFFFAOYSA-N	266.732	1.947	10	20	CDCD	
CCOc1cccc(CN(C)CC(=O)OC)c1O	179394542	YGVIIBYQQYYOHE-UHFFFAOYSA-N	253.298	1.396	10	20	CDCD	
CC(=O)NC[C@@H]1CCCN(Cc2cc(F)ccc2O)C1	183249732	DNEXAOYXCXECHT-LBPRGKRZSA-N	280.343	1.879	10	20	CDCD	
Cc1c(CNC(=O)/C=C/c2ccc(O)c(O)c2)cnn1C	181267615	PCZIDEFPEOZOPN-GQCTYLIASA-N	287.319	1.469	10	20	CDCD	
CCN(C)S(=O)(=O)Nc1ccc(O)cc1Cl	849308201	JNJMQHNPVTXRBQ-UHFFFAOYSA-N	264.734	1.654	10	20	CDCD	
CC(C)CN1CCN(Cc2cc(F)ccc2O)CC1=O	190103203	TYSVTBTVIIRYRQ-UHFFFAOYSA-N	280.343	1.832	10	20	CDCD	
CCCc1cc(C(=O)NCCc2ccc(N)cc2)[nH]n1	236901087	ATPSKHQWUSXWKN-UHFFFAOYSA-N	272.352	1.917	10	20	CDCD	
CCCN(CC(=O)NC)Cc1cc(C)c(C)cc1O	92381636	JZSFNHHQBWRUBX-UHFFFAOYSA-N	264.369	1.967	10	20	CDCD	
CC(C)N1CC[C@H](NC(=O)NCc2ccccc2O)C1=O	265118701	CBVFRHOMJFDFEH-LBPRGKRZSA-N	291.351	1.201	10	20	CDCD	
COC(=O)[C@H]1CCC[C@H](C(=O)NCc2ccccc2O)C1	267503005	JIHDBPNJCWEBAY-RYUDHWBXSA-N	291.347	1.988	10	20	CDCD	
CC[C@H](C(=O)NCc1ccccc1O)N1CCCC1=O	266613793	ULRQTGSEIIHWJL-GFCCVEGCSA-N	276.336	1.409	10	20	CDCD	
C[C@@H](N[C@@H]1CCCCNC1=O)c1cc([N+](=O)[O-])ccc1O	273378340	HTRMRGKYHNBKHC-BXKDBHETSA-N	293.323	1.620	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)[C@]1(F)CCNC1	363750650	NUTACOVRFNVAKP-HNNXBMFYSA-N	280.343	1.832	10	20	CDCD	
OCC[C@]1(NCc2cc(F)ccc2O)CCOC1	278593142	FCRNCGWKXMTAGH-ZDUSSCGKSA-N	255.289	1.162	10	20	CDCD	
C[C@H]1c2nncn2CCN1Cc1ccc(N(C)C)cc1	276852465	VEHLOXRQHYPYDX-LBPRGKRZSA-N	271.368	1.921	10	20	CDCD	
CN1CCCc2cc(CN3C(=O)CN(C4CC4)C3=O)ccc21	272333018	CUOYAXZBYZEVEF-UHFFFAOYSA-N	299.374	1.996	10	20	CDCD	
COc1ccc(O)c(CN2CCC3(CC2)CNC(=O)C3)c1	271888951	WRTNPWFQPBKDAB-UHFFFAOYSA-N	290.363	1.503	10	20	CDCD	
C[C@@H](CO)CCCNC(=O)/C=C/c1ccc(O)c(O)c1	272626154	JQMRAAMDTGDJTF-OKPNEXGHSA-N	279.336	1.636	10	20	CDCD	
Cc1ccc(O)c(CN2CC[C@@H](NC(=O)NC3CC3)C2)c1	273689854	BFHNILCTSUDXHF-CQSZACIVSA-N	289.379	1.737	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1CCC(O)CC1	280210765	GBNCZZLDPOFMEG-QFWMXSHPSA-N	293.363	1.696	10	20	CDCD	
COCC[C@H](CO)N[C@H](C)c1cc(F)ccc1O	281598993	MANQKYPXSJEWQQ-MWLCHTKSSA-N	257.305	1.579	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21	289787491	JWPSIPQDESOTAC-KCQAQPDRSA-N	291.347	1.402	10	20	CDCD	
CCCOc1ccc(CNc2nnc(CO)o2)c(O)c1	284110755	WTCPTHWQSXQUTA-UHFFFAOYSA-N	279.296	1.668	10	20	CDCD	
O=C1NC(=S)S/C1=C\c1ccc(C(=O)O)[nH]1	381513942	RXCINEDFEFIFJZ-UTCJRWHESA-N	254.292	1.202	10	20	CDCD	
CC(=O)C(=O)COc1ccc(Cl)c([N+](=O)[O-])c1	808056345	OPDVCZNUZNFQID-UHFFFAOYSA-N	257.629	1.785	10	20	CDCD	
COCC1(O)CN(Cc2c(O)cccc2Cl)C1	297628722	WKBXDUGNXGPGPK-UHFFFAOYSA-N	257.717	1.239	10	20	CDCD	
COCCOc1ccc(SCC(=O)C(C)=O)cc1	808034862	YVCQLZSKORNXRB-UHFFFAOYSA-N	268.334	1.962	10	20	CDCD	
CCN(CC(=O)N(C)C)Cc1ccc(N(C)C)cc1	726984198	KKBNUQMQLBJAKR-UHFFFAOYSA-N	263.385	1.663	10	20	CDCD	
Cc1ccc(/C=C2\SC(=S)N(CC(N)=O)C2=O)o1	727176666	NVIFJPDAMGKDDQ-YWEYNIOJSA-N	282.346	1.275	10	20	CDCD	
COc1ccc(CN[C@@H](C)C(=O)N[C@@H](C)C(=O)O)cc1C	901743746	OKOKHVAVLJIBGU-QWRGUYRKSA-N	294.351	1.071	10	20	CDCD	
C[C@@H](O)[C@H](NC/C=C/c1ccc(N(C)C)cc1)C(=O)O	904045135	HMPYSESYHBFWRF-HCVFJLOESA-N	278.352	1.189	10	20	CDCD	
O=C(O)C[C@@H]1CCCN1Cc1cc2c(cc1O)OCO2	833211168	ULXAGVPBCJZXNK-JTQLQIEISA-N	279.292	1.560	10	20	CDCD	
Cc1ccc(C(=O)N2[C@@H](C)[C@@H](C)NC(=O)[C@H]2C)c(O)c1O	911794345	HTOBXLZMYQKCOU-KXUCPTDWSA-N	292.335	1.144	10	20	CDCD	
COc1ccc(CNC(=O)[C@H]2CCN[C@H]2C)c(O)c1	832178651	VEIGVYKUZZLSFC-CABZTGNLSA-N	264.325	1.015	10	20	CDCD	
CCCN(CC(F)F)C(=O)C(=O)Nc1ccc(N)cc1	841025495	GBFBKRMUUUNGSH-UHFFFAOYSA-N	285.294	1.711	10	20	CDCD	
CCN(C)C(=O)[C@H](C)N[C@@H](C)c1cccc(OC)c1O	846167294	WNAGHVYNXYHMAV-QWRGUYRKSA-N	280.368	1.918	10	20	CDCD	
COc1cccc([C@H](C)N[C@H](C)C(=O)N(C)C)c1O	846154270	MSYWKVYSUOLLNA-VHSXEESVSA-N	266.341	1.528	10	20	CDCD	
CCN(C)c1ccc(Cn2ccnc2S(C)(=O)=O)cc1	747810574	REAQPBVUKGJULZ-UHFFFAOYSA-N	293.392	1.791	10	20	CDCD	
CN1CCN(c2ccc(CN(C)[C@@H]3CCNC3)cc2)CC1	843048942	BERNZKRFZLJUPH-QGZVFWFLSA-N	288.439	1.232	10	20	CDCD	
Cn1ccnc1[C@@H]1CNCCN1Cc1cc(F)ccc1O	843121984	MOUJEJFRXJDBGK-ZDUSSCGKSA-N	290.342	1.411	10	20	CDCD	
COc1cccc(CNC(=O)N[C@H]2CCC[C@H](N)C2)c1O	841980878	IZDATKLQQGGWLX-RYUDHWBXSA-N	293.367	1.470	10	20	CDCD	
Oc1c(Cl)cccc1CNCCN1CCNCC1	841045613	YWVKOEOFGLSYHT-UHFFFAOYSA-N	269.776	1.040	10	20	CDCD	
CC1(C)[C@@H]2CN(C(=O)C(=O)Nc3ccc(N)cc3)C[C@H]21	841051880	SFMFYVAHCYOUCG-VXGBXAGGSA-N	273.336	1.322	10	20	CDCD	
COC[C@]1(CNCc2cccc(OC)c2O)CCCN1	841067218	KUJGWNDFSLROOL-OAHLLOKOSA-N	280.368	1.259	10	20	CDCD	
CC(C)C(=O)NCCCNC(=O)NCc1ccccc1O	756115221	QDORNZLUYUPSHM-UHFFFAOYSA-N	293.367	1.354	10	20	CDCD	
COc1cccc(O)c1CNC[C@H](CO)CC1CC1	850388502	NFQQCEGUTYQWES-GFCCVEGCSA-N	265.353	1.899	10	20	CDCD	
CN(C[C@@H]1CCC[C@@H]1O)C(=O)c1cc(O)cs1	755329581	VOECQLRRGIPSKY-WPRPVWTQSA-N	255.339	1.687	10	20	CDCD	
COc1cc(CN(C)[C@H]2CCOC2)c(O)cc1C	768452066	NTUCBCFBRNMIFM-LBPRGKRZSA-N	251.326	1.930	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)c2cnn3c2OCCC3)c1	862756480	YVWCVHQVRLHOTN-UHFFFAOYSA-N	287.319	1.610	10	20	CDCD	
CC[C@@H](NC(C)=O)C(=O)NCc1cc(Cl)ccc1O	869147055	NSJUFDSOLWHBRR-LLVKDONJSA-N	284.743	1.577	10	20	CDCD	
CCOc1ccc(CN2CCC[C@H]2C(=O)OC)c(O)c1	768229907	OMLCYPXCKJBYOK-ZDUSSCGKSA-N	279.336	1.928	10	20	CDCD	
C[C@@H]1CCN(S(=O)(=O)N(C)Cc2ccccc2O)C1	778006081	OJSLZCSXVNCEBF-LLVKDONJSA-N	284.381	1.411	10	20	CDCD	
CC1(O)CN(Cc2cc(Br)ccc2O)C1	877581061	MEWXXHIJMCAHQB-UHFFFAOYSA-N	272.142	1.721	10	20	CDCD	
COC1CCN(CCNCc2c(C)cccc2O)CC1	877158595	VDCMBCDZTKNYMN-UHFFFAOYSA-N	278.396	1.901	10	20	CDCD	
Cc1ccc(C(=O)N(C)c2ccn(C)n2)c(O)c1O	774157601	LUOLDWUFSINWGT-UHFFFAOYSA-N	261.281	1.416	10	20	CDCD	
CN[C@@H](C)c1cn(Cc2ccc(N(C)C)cc2)nn1	881272420	UKYVFZHENZZAAW-NSHDSACASA-N	259.357	1.673	10	20	CDCD	
CNC(=O)[C@H]1CCC[C@H]1NCc1cc(F)cc(F)c1O	883079672	ZPVHPWDIEBEISD-CMPLNLGQSA-N	284.306	1.675	10	20	CDCD	
C[C@H](NC[C@H]1CN(C)CCN1C)c1c(O)cccc1F	886526183	HBRYVJHUBYWIEA-RYUDHWBXSA-N	281.375	1.428	10	20	CDCD	
CCC[C@H]1C(=O)NCCN1C(=O)c1cc(O)cs1	780696106	XUPYYNANVFYDLC-VIFPVBQESA-N	268.338	1.194	10	20	CDCD	
COC(=O)CCC(C)(C)NC(=O)c1ccc(C)c(O)c1O	780941138	UFPRAXSSCORPSK-UHFFFAOYSA-N	295.335	1.868	10	20	CDCD	
CO[C@@H](C)CCNC(=O)NCc1ccc(N)cc1	1120500969	TXHCMSYFEMADRZ-JTQLQIEISA-N	251.330	1.493	10	20	CDCD	
C[C@](CO)(NC(=O)NCc1ccc(N)cc1)C1CC1	1120677058	IGGYSFVGUNGBND-CQSZACIVSA-N	263.341	1.229	10	20	CDCD	
CCOc1cccc(CN2C[C@@H]3C[C@]3(CO)C2)c1O	783734272	KWVWVKHZBHNFTR-SWLSCSKDSA-N	263.337	1.605	10	20	CDCD	
COc1ccc(CNCCc2ccnn2C)c(O)c1OC	893607631	YZNCCNHDKNIFKZ-UHFFFAOYSA-N	291.351	1.475	10	20	CDCD	
Cn1cc(/C=C\C(=O)N2C[C@@H](O)Cc3ccccc32)cn1	790156768	QDNGIIPDZOHSOV-AFNCTOJWSA-N	283.331	1.384	10	20	CDCD	
C[C@H](N[C@H](C)c1cc(F)cc(F)c1O)C(=O)N(C)C	790743431	VRBOIMBYSCLNBB-SFYZADRCSA-N	272.295	1.798	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)CCCC(=O)O	1327208577	MARPIISWLDLPPG-UHFFFAOYSA-N	292.335	1.733	10	20	CDCD	
C[C@@]1(NC(=O)NCc2ccc(N)cc2)CCCOC1	1335738186	XCPHKYSBKWQVLT-CQSZACIVSA-N	263.341	1.637	10	20	CDCD	
Nc1ccc(CNC(=O)[C@@H]2CCO[C@H]2C2CC2)cc1	1342020235	IRPHOKMGBWBBSC-KGLIPLIRSA-N	260.337	1.700	10	20	CDCD	
CN(C(=O)[C@@H]1CC(c2cnn(C)c2)=NO1)c1ccc(N)cc1	1263168412	MGHLVEYZBWSGEA-AWEZNQCLSA-N	299.334	1.158	10	20	CDCD	
C[C@@H](NC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21)c1ccccc1O	1353775869	CMVHECUJEZUCCM-REJLFOLJSA-N	291.347	1.621	10	20	CDCD	
CC(C)N1CCC(C(=O)NCc2cccc(O)c2O)CC1	1521851338	LHZRODIYRKUJCO-UHFFFAOYSA-N	292.379	1.834	10	20	CDCD	
O=C(O)[C@H](CF)NCc1c(O)ccc(Cl)c1F	1608534428	SCFSZCQPDSVVLX-ZETCQYMHSA-N	265.643	1.697	10	20	CDCD	
Cc1cc(C(=O)NCc2ccccc2O)oc1C(=O)O	1600096240	XCLUWPHLSFFMBJ-UHFFFAOYSA-N	275.260	1.922	10	20	CDCD	
O=C(O)c1cnc(SCCN2CCOCC2)s1	1608979257	RLBWJPAHJZZHKJ-UHFFFAOYSA-N	274.367	1.266	10	20	CDCD	
O=C(O)c1cnc(SCN2CCCCC2=O)s1	1610862525	FDRYFTYLNVFUSC-UHFFFAOYSA-N	272.351	1.903	10	20	CDCD	
O=S1(=O)CCC[C@H](NCc2cc(F)ccc2O)C1	226611315	IEBVIJZKJWENDT-NSHDSACASA-N	273.329	1.198	10	20	CDCD	
Clc1cnc(Sc2ncncc2-c2nn[nH]n2)s1	1592538204	HVVIEVPOKBCKKV-UHFFFAOYSA-N	297.756	1.918	10	20	CDCD	
COc1ccc(CNC[C@@]2(C(=O)O)CCOC2)cc1C	1599571193	AUTJIKNBKYBNAB-HNNXBMFYSA-N	279.336	1.585	10	20	CDCD	
COc1cc(O)c(CN2CCOCC2)cc1OC	158823173	BGWGZVMXWOJTPP-UHFFFAOYSA-N	253.298	1.242	10	20	CDCD	
CC[C@@H]1C(=O)NCCN1Cc1cc(OC)c(OC)cc1O	160158527	ZJXGTFFXHICGGG-LLVKDONJSA-N	294.351	1.120	10	20	CDCD	
COC[C@@H]1CN(Cc2c(C)cccc2O)CCO1	876748726	GYOYJBXGXBEPLI-LBPRGKRZSA-N	251.326	1.548	10	20	CDCD	
COc1ccc(O)c([C@H](C)NCCOC(=O)N(C)C)c1	160414736	UQNNUSWZLNAHJR-JTQLQIEISA-N	282.340	1.750	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CCCN(C)CC2)c1O	37322862	HXIFOKISHRRYSI-UHFFFAOYSA-N	280.343	1.871	10	20	CDCD	
CCOc1cccc(CN[C@H](CO)CCOC)c1O	282122576	FQYYHRIRNRVCCQ-LBPRGKRZSA-N	269.341	1.278	10	20	CDCD	
C[C@H]1CCC[C@]1(O)CNCc1cc2c(cc1O)OCO2	292969177	KCIOQQXZFUUKGF-BONVTDFDSA-N	279.336	1.762	10	20	CDCD	
CCCC[C@@H](N)C(=O)NCc1ccc(N(C)C)cc1	40825913	GPUWKWBNVBSSKD-CQSZACIVSA-N	263.385	1.886	10	20	CDCD	
CN1CCCc2cc(CNC(=O)Cc3ccn[nH]3)ccc21	175787951	MNBWHHQBUXAVFT-UHFFFAOYSA-N	284.363	1.651	10	20	CDCD	
CCS(=O)(=O)CCN[C@@H](C)c1cc(F)ccc1O	185331368	PUBXUVHXALTTNF-VIFPVBQESA-N	275.345	1.617	10	20	CDCD	
Nc1ccc(CC(=O)N2CC[C@H]3CC[C@@H](C2)N3)cc1	374480396	HYGHRDXXFKYJME-KGLIPLIRSA-N	259.353	1.164	10	20	CDCD	
Cc1ccc(C(=O)NC[C@@H]2CCC[C@@H](O)C2)c(O)c1O	182496888	UYTXDCGQYAZLAD-GHMZBOCLSA-N	279.336	1.687	10	20	CDCD	
COc1cccc(CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)c1O	73110383	IKJNAFXVVWEZKC-UTUOFQBUSA-N	277.320	1.585	10	20	CDCD	
C[C@@H](N)[C@H]1CN(Cc2c(O)cccc2Cl)CCO1	132626042	GMZRGJMKAGHYHO-NOZJJQNGSA-N	270.760	1.594	10	20	CDCD	
COc1ccc(O)c(CN2C[C@@H](C)[C@H](C(=O)O)C2)c1	227818147	VJVVJTUDGVQYRJ-BXKDBHETSA-N	265.309	1.553	10	20	CDCD	
CCOc1ccc(O)c(CN(CCOC)[C@@H](C)C(N)=O)c1	93139303	ZLEZIAFXAOHKDA-NSHDSACASA-N	296.367	1.113	10	20	CDCD	
COC[C@@H](C)CNC(=O)NCc1ccccc1O	299463612	AOZMBTRJYMEPLX-JTQLQIEISA-N	252.314	1.474	10	20	CDCD	
COc1cc(Cl)cc(CN2CCNC(=O)C[C@H]2C)c1O	367669457	KZOPWSMSYIRDJF-SECBINFHSA-N	298.770	1.765	10	20	CDCD	
CS(=O)(=O)NCc1cccc(Br)c1O	277480634	MFLWCVXGNLSVJF-UHFFFAOYSA-N	280.143	1.204	10	20	CDCD	
Cc1ccc(C(=O)N(C)C[C@H]2CCOC2)c(O)c1O	272727765	JGQTZPIIOCZWJY-SNVBAGLBSA-N	265.309	1.515	10	20	CDCD	
Cc1cccc(CN2CCOC[C@@H]2c2ncon2)c1O	374836844	OZDYZIOJYCERHA-GFCCVEGCSA-N	275.308	1.657	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN(C)C[C@H](C)OC)c1O	289768793	RFSWTEPUAFYVIP-VIFPVBQESA-N	284.312	1.776	10	20	CDCD	
CN(C)c1ccc(CNCC2([S@@](C)=O)CC2)cc1F	282220017	DWEPSKKPZPMXBF-LJQANCHMSA-N	284.400	1.892	10	20	CDCD	
COC[C@]1(C(=O)OC)CCN(Cc2cc(C)ccc2O)C1	294914527	AJJCSJZOVKZJNO-INIZCTEOSA-N	293.363	1.712	10	20	CDCD	
O=C(N[C@@H](CO)C1CCCC1)c1cc(O)cs1	812376473	UTWJFJKNIHRWFM-JTQLQIEISA-N	255.339	1.735	10	20	CDCD	
Cc1cc(Cl)cc([C@@H](C)NC[C@H]2CNCCO2)c1O	817983008	JKZUBDMPVPUDCP-ZYHUDNBSSA-N	284.787	1.993	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)COCCN)cc1F	829038951	QUWLNWLOWPFENG-UHFFFAOYSA-N	297.374	1.263	10	20	CDCD	
CCOC(=O)C1CCN(C(=O)c2cc(O)cs2)CC1	731866661	QKKIBEKYAXCIRC-UHFFFAOYSA-N	283.349	1.869	10	20	CDCD	
CCc1noc(NC(=O)NCc2cc(OC)ccc2O)n1	836672573	RAFNWRYVRXEOPB-UHFFFAOYSA-N	292.295	1.668	10	20	CDCD	
C[C@@H](CC(=O)O)NCc1ccc(N2CCOCC2)c(F)c1	738892058	RZEDOCHLKUZIJE-NSHDSACASA-N	296.342	1.615	10	20	CDCD	
C[C@@H]1C[C@H](NCc2ccc(N3CCOCC3)c(F)c2)CO1	842669791	CVOUONCAZFAWCH-OCCSQVGLSA-N	294.370	1.929	10	20	CDCD	
CCc1cc(NC(=O)NCCc2ccc(N)cc2)n(C)n1	841118140	AZMUNUJCXMFSLZ-UHFFFAOYSA-N	287.367	1.929	10	20	CDCD	
CN(CCN)Cc1ccc(N2CCOCC2)c(F)c1	841100003	RMKSGWYCOKGHQX-UHFFFAOYSA-N	267.348	1.053	10	20	CDCD	
Oc1c(Cl)cccc1CN1CCN([C@@H]2CCNC2)CC1	843125137	XBYQBYNAXKOBKN-CYBMUJFWSA-N	295.814	1.525	10	20	CDCD	
CCOc1ccc(O)c(CN(C)[C@H](C)CCO)c1	846111217	MXRMWYCGGYGMPD-LLVKDONJSA-N	253.342	1.994	10	20	CDCD	
CCOC(=O)CCC(=O)COC(=O)c1cccc(O)c1O	758560610	MWBQDIRVBJGIMG-UHFFFAOYSA-N	296.275	1.167	10	20	CDCD	
CC1=NO[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)C1	854801402	YOYHYBOLWKCISW-JOAKQRRISA-N	276.292	1.392	10	20	CDCD	
O=C(O[C@H]1CCCCC1=O)c1cccc(O)c1O	758583493	XOHZEXPNLMTJDW-NSHDSACASA-N	250.250	1.766	10	20	CDCD	
COc1ccc(O)c(CNC(=O)NCC(F)F)c1	752964109	LAAMGWZKRJUYFL-UHFFFAOYSA-N	260.240	1.465	10	20	CDCD	
COCC1(NC(=O)c2cccc(O)c2O)CCCC1	855217874	JOGZOIOZMCVSDW-UHFFFAOYSA-N	265.309	1.787	10	20	CDCD	
Cc1ccc(O)c([C@@H](C)NC[C@@H](O)c2cnn(C)c2)c1	756608264	AATSQFSKTIZDRU-IAQYHMDHSA-N	275.352	1.818	10	20	CDCD	
CN1CC[C@@](O)(CNCc2cc(Cl)cc(F)c2O)C1	762790853	KOWNXBIURUWEKZ-CYBMUJFWSA-N	288.750	1.341	10	20	CDCD	
Cc1cn(CC(=O)NCc2ccc(N(C)C)cc2)c(C)n1	760179410	NIMLJKKDCKZXIZ-UHFFFAOYSA-N	286.379	1.882	10	20	CDCD	
COc1ccc(O)c(CN[C@@H](CCO)C2CCOCC2)c1	764679228	QONSJYMSSIOHHT-HNNXBMFYSA-N	295.379	1.668	10	20	CDCD	
Cc1ccc(CN2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)c(O)c1	877466776	QKVOJKCHSUIGHR-LNSITVRQSA-N	274.364	1.786	10	20	CDCD	
CC(C)[C@@](C)(O)C(=O)NCc1ccc(N(C)C)cc1	771100320	VLECYRDJWVOTLT-OAHLLOKOSA-N	264.369	1.776	10	20	CDCD	
O=C(CCc1nccs1)NCc1ccc(O)c(O)c1	778921965	BUACVCAISWNTSQ-UHFFFAOYSA-N	278.333	1.803	10	20	CDCD	
CC(C)n1ccc(CC(=O)NCc2ccc(O)c(O)c2)n1	778919702	KEPPWANHGZNVOU-UHFFFAOYSA-N	289.335	1.734	10	20	CDCD	
CCN(C)c1ccc(Cn2cc(CON)nn2)cc1	881313586	OYCXXVWGRCDUAE-UHFFFAOYSA-N	261.329	1.173	10	20	CDCD	
CN(C)c1ccc(Cn2cc([C@@H](O)C3CC3)nn2)cc1	881272540	ZHCFPRIKTCULIF-HNNXBMFYSA-N	272.352	1.836	10	20	CDCD	
COc1cc(C)cc(CNC[C@@H](CO)[C@@H]2CCOC2)c1O	894643677	RYYIWVKPUVDHCM-OCCSQVGLSA-N	295.379	1.444	10	20	CDCD	
CCOC(CCNC(=O)c1cc(O)cs1)OCC	788017603	LFNJYLCBMVFIFX-UHFFFAOYSA-N	273.354	1.973	10	20	CDCD	
Cn1cc([C@H](CO)NCc2c(O)ccc(Cl)c2F)cn1	790980828	PZTXOBKSBDPCGL-NSHDSACASA-N	299.733	1.741	10	20	CDCD	
COc1ccc(CNCC[C@H](O)C2CC2)c(O)c1OC	898192515	GCEWMOTWNKIOQW-LBPRGKRZSA-N	281.352	1.660	10	20	CDCD	
C[C@@H](NCC1(CO)COC1)c1cc(F)ccc1O	186146597	DIGUVKNTCRUCTH-SECBINFHSA-N	255.289	1.191	10	20	CDCD	
Cc1ccc(O)c([C@@H](C)NCC(C)(C)C(N)=O)c1	186220188	AKXVYDLARPKCRD-SNVBAGLBSA-N	250.342	1.863	10	20	CDCD	
C[C@@H](NCC(=O)NCC1CC1)c1ccc(F)cc1O	186505231	KIOOLASGADJZAV-SECBINFHSA-N	266.316	1.708	10	20	CDCD	
COc1ccc(CNC(=O)c2cnc3ccccn23)c(O)c1	794387672	IUUNHDIYNLLVFN-UHFFFAOYSA-N	297.314	1.979	10	20	CDCD	
CCCN1CCC(NC(=O)NCc2ccc(N)cc2)CC1	1336838075	APAQLEKPECRPTJ-UHFFFAOYSA-N	290.411	1.942	10	20	CDCD	
NOCCCNC(=O)NCCCSc1nccs1	1336848674	MXWAYKMUMUSSOK-UHFFFAOYSA-N	290.414	1.205	10	20	CDCD	
C[C@@H](N)C1CCN(C(=O)NCc2ccc(N)cc2)CC1	1262603731	SWIRIQQNZOFQAP-LLVKDONJSA-N	276.384	1.538	10	20	CDCD	
Cc1cc(CN2C[C@@H](O)C[C@@H](C(=O)O)C2)ccc1N(C)C	1600191862	INMDQJSESKWLCL-KGLIPLIRSA-N	292.379	1.328	10	20	CDCD	
CCN1C(=O)C(C)(C)N[C@@H]1c1cc(C(=O)O)ccc1O	1610006548	XDUNANJSWVABGE-NSHDSACASA-N	278.308	1.319	10	20	CDCD	
COc1cc(O)c(CN2CCOC[C@H]2C)cc1OC	158855829	WRSXDOLQEBTTEI-SNVBAGLBSA-N	267.325	1.630	10	20	CDCD	
C[C@@H](N)C(=O)NCc1ccc(N2CCSCC2)cc1	165421660	LWEHSMACLSTHAQ-LLVKDONJSA-N	279.409	1.203	10	20	CDCD	
COc1cccc(CN2CC[C@H](CN(C)C)C2)c1O	125527250	CMMPQWKHVLJIBA-GFCCVEGCSA-N	264.369	1.784	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCCN2CCC[C@@H]2C1	126400997	NUZYQEWWPXQECD-LLVKDONJSA-N	276.336	1.408	10	20	CDCD	
Oc1c(F)cc(F)cc1CNCCO[C@@H]1CCOC1	922934958	PNLYQBPIVBKERG-LLVKDONJSA-N	273.279	1.566	10	20	CDCD	
CCN(Cc1cnn(C)c1)C(=O)Cc1ccc(N)cc1	166076020	XQOHRHZDRCMFHT-UHFFFAOYSA-N	272.352	1.594	10	20	CDCD	
C[C@@H]1CN(Cc2cc(F)ccc2O)C[C@@H](C)S1(=O)=O	290903242	MGGDOFHWVMQXER-NXEZZACHSA-N	287.356	1.539	10	20	CDCD	
Oc1ccc(F)cc1CNC[C@]1(O)CCSC1	180829458	LTUUVDDESXPPSX-GFCCVEGCSA-N	257.330	1.489	10	20	CDCD	
C[C@@H](CN1CCOCC1)N[C@@H](C)c1ccc(F)cc1O	62746012	OBIWBUDPMZVKNF-RYUDHWBXSA-N	282.359	1.903	10	20	CDCD	
C[C@@H](NC(=O)c1cccc(O)c1O)c1cnn(C)c1	311984447	MNLVTLWJDIQQPG-MRVPVSSYSA-N	261.281	1.322	10	20	CDCD	
CC[C@H](O)CCCNC(=O)Cc1ccc(N)cc1	398627623	ZZCOEUBXRSKEKN-ZDUSSCGKSA-N	250.342	1.479	10	20	CDCD	
CN(Cc1c(O)ccc2ccccc12)[C@@H]1CCNC1=O	758401011	PJRAPEUDMPKFBH-CQSZACIVSA-N	270.332	1.866	10	20	CDCD	
C[C@@H](NS(=O)(=O)NC1CC1)c1ccccc1O	867835113	UDKAQPAUDIACIC-MRVPVSSYSA-N	256.327	1.040	10	20	CDCD	
CN1C(=O)C(=CNc2ccc(F)c(F)c2)C(=O)N(C)C1=O	60862059	PZEPGVGFWPELDJ-UHFFFAOYSA-N	295.245	1.311	10	20	CDCD	
Cc1ccc(C(=O)N2CCO[C@@H](C)C2)c(O)c1O	177665600	QVAUXUOWZGTGOW-VIFPVBQESA-N	251.282	1.267	10	20	CDCD	
C[S@@](=O)CCCNCc1c(O)cccc1Cl	116918977	WDQQAIZFTJJUNU-INIZCTEOSA-N	261.774	1.904	10	20	CDCD	
CCCCCC[C@H](C)NC=C1C(=O)NC(=S)NC1=O	60862412	QWVVJVILNKPUOK-VIFPVBQESA-N	283.397	1.350	10	20	CDCD	
Cc1ccc(C(=O)NC[C@H](C)Cn2cccn2)c(O)c1O	177672813	PBVLRYBZQOLJAO-JTQLQIEISA-N	289.335	1.669	10	20	CDCD	
CCC(CC)(CO)NCc1cc2c(cc1O)OCO2	53066983	VUIRIDJLPKTRDH-UHFFFAOYSA-N	267.325	1.762	10	20	CDCD	
COc1ccc(O)c(CN2CCOC3(CCOCC3)C2)c1	180699300	INVRWQUJBLFCAW-UHFFFAOYSA-N	293.363	1.782	10	20	CDCD	
C[C@@H](NCCC(=O)N(C)C)c1ccc(F)c(F)c1O	187684930	UQOPPLWTXHBPMX-MRVPVSSYSA-N	272.295	1.799	10	20	CDCD	
CC[C@@H](N)C(=O)NCc1ccc2c(c1)CCCN2C	130416377	SSTJYTLHXFVYRX-CYBMUJFWSA-N	261.369	1.423	10	20	CDCD	
CC(=O)c1cc(F)cc(CN[C@H]2C(=O)NCC[C@H]2C)c1O	193595810	OHZHRYGKFSEKJS-AMIZOPFISA-N	294.326	1.348	10	20	CDCD	
CCC[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1	50193214	JBHHQJMBQJBTJR-HNNXBMFYSA-N	278.396	1.978	10	20	CDCD	
CCC[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1	50193216	JBHHQJMBQJBTJR-OAHLLOKOSA-N	278.396	1.978	10	20	CDCD	
CC(C)N1CC[C@@H](N[C@@H]2CCc3cccc(O)c32)C1=O	297002637	SUPDBABVRGRJES-CHWSQXEVSA-N	274.364	1.978	10	20	CDCD	
CCNC(=O)[C@H](C)N[C@@H](C)c1ccc(F)c(F)c1O	276145051	CXVJVJNPRVKORC-YUMQZZPRSA-N	272.295	1.846	10	20	CDCD	
COc1ccc(O)c(CN2CCNC(=O)C[C@H]2C)c1	377888444	JTZKFWKLKYRPCM-SNVBAGLBSA-N	264.325	1.111	10	20	CDCD	
O=C(Nc1cc2n(n1)CCCC2)c1cccc(O)c1O	286375798	FLGZRTWYERHLGK-UHFFFAOYSA-N	273.292	1.883	10	20	CDCD	
Cc1ccc(O)c([C@@H](C)NCCN2CCNCC2)c1	817945178	WKJKLPOVALWKFA-CYBMUJFWSA-N	263.385	1.256	10	20	CDCD	
CNCCc1ccccc1C(=O)N(C)c1ccn(C)n1	572149105	TXWKAAGRAHEUJR-UHFFFAOYSA-N	272.352	1.459	10	20	CDCD	
COC(=O)c1cnc(SCCn2ccccc2=O)s1	829681494	XVIPDBZRSKJRMH-UHFFFAOYSA-N	296.373	1.884	10	20	CDCD	
C[C@@H](NC(=O)CN(C)C)c1ccc(N2CCOCC2)cc1	727309565	AVPIBQCHULLCSV-CYBMUJFWSA-N	291.395	1.262	10	20	CDCD	
C[C@@H]1CCN(CCNC(=O)c2cc(O)cs2)C1	829440856	NEAJPFYFDAGAFK-SECBINFHSA-N	254.355	1.525	10	20	CDCD	
CN(C)c1ccc(CN(CC(=O)O)C2CC2)cc1F	901972050	QJIZFDPDVBBYBQ-UHFFFAOYSA-N	266.316	1.941	10	20	CDCD	
COC(=O)c1cnc(S[C@H](C(N)=O)C(C)C)s1	829680855	GGQPKNVIUFKIHE-ZETCQYMHSA-N	274.367	1.532	10	20	CDCD	
O=C(O)[C@H]1CCCN1Cc1ccc(N2CCOCC2)cc1	821508819	HMKISIJNENIJRN-OAHLLOKOSA-N	290.363	1.572	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CCOC[C@@H]2C(=O)O)c1O	823666627	NTQZBYVPAHSUCH-GFCCVEGCSA-N	297.282	1.019	10	20	CDCD	
Cc1ccc(O)c(CN[C@H]2C[C@H]3CCCCN3C2=O)c1	835071941	AGLJCRDYRVIQOQ-KGLIPLIRSA-N	274.364	1.944	10	20	CDCD	
CCOCCOCCCC(=O)NCc1ccc(O)c(O)c1	830558756	ASFQPGKAUJABKU-UHFFFAOYSA-N	297.351	1.547	10	20	CDCD	
CC(C)CN1CCN(C(=O)Cc2ccc(N)cc2)CC1=O	831974968	FRWHUUHRBSEONF-UHFFFAOYSA-N	289.379	1.138	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)NCc1ccon1	747594609	RFMMAFBOPPEXLO-UHFFFAOYSA-N	261.281	1.722	10	20	CDCD	
COc1cccc(CN[C@H]2CC[C@H](CN)C2)c1O	841084528	KHFOMLYTPQLUJP-JQWIXIFHSA-N	250.342	1.618	10	20	CDCD	
C[C@@H](C[C@H]1CCOC1)NC(=O)NCCc1ccc(N)cc1	841857939	RRIIRQDLVXURBR-GXTWGEPZSA-N	291.395	1.926	10	20	CDCD	
CCc1cccc(CN2C[C@@H](C)O[C@@H](C(=O)OC)C2)c1O	848919741	RHLXZAFAGWGBLD-BXUZGUMPSA-N	293.363	1.717	10	20	CDCD	
COCC[C@@H](CO)N[C@@H](C)c1cccc(OC)c1O	846167945	PHLVZUCJTMLWSQ-QWRGUYRKSA-N	269.341	1.449	10	20	CDCD	
COc1cccc([C@@H](C)NCC(C)(C)OCCO)c1O	846168369	AIKXWVPXNYOMLC-LLVKDONJSA-N	283.368	1.839	10	20	CDCD	
C[C@@H](CCCN)NCc1ccc(N2CCOCC2)c(F)c1	841080154	NZASKHCBVDUROT-ZDUSSCGKSA-N	295.402	1.879	10	20	CDCD	
C[C@@H](NC(=O)N1CCCNCC1)c1ccc(N(C)C)cc1	841880533	BXMHMXAXZARBFE-CYBMUJFWSA-N	290.411	1.819	10	20	CDCD	
Oc1ccc(Cl)c(F)c1CNC[C@@H]1CNCCCO1	841087271	SQDJQDSXWIXOQL-VIFPVBQESA-N	288.750	1.653	10	20	CDCD	
CN1CC[C@H]1CNCc1c(O)ccc(Cl)c1F	922576773	WOKVGXGSSYNNEK-QMMMGPOBSA-N	258.724	1.978	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)N[C@H](C)CC(N)=O)c1	756661282	QGPFXSQPXGCQED-RKDXNWHRSA-N	280.324	1.093	10	20	CDCD	
CON(C)C(=O)[C@@H](C)N[C@@H](C)c1cc(F)cc(F)c1O	858586810	HEHGYYCQPNOJTB-JGVFFNPUSA-N	288.294	1.729	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H]2CCn3cncc3C2)c(O)c1O	857948899	STXBYJBVLIXNFR-SNVBAGLBSA-N	287.319	1.348	10	20	CDCD	
CON(C)C(=O)[C@@H](C)N[C@H](C)c1ccc(N(C)C)cc1	858586838	LELOATDKSJEIFK-VXGBXAGGSA-N	279.384	1.812	10	20	CDCD	
COc1ccc(O)c(CNC(=O)N[C@H]2CC[C@H](O)CC2)c1	753718775	IGOPZVIVNLUTDE-HAQNSBGRSA-N	294.351	1.504	10	20	CDCD	
C[C@@H](C(=O)NCc1ccccc1O)c1cnn(C)c1	750240590	YCRLRFXFVPULEI-SNVBAGLBSA-N	259.309	1.546	10	20	CDCD	
C[C@@H](NC(=O)CCS(C)(=O)=O)c1ccccc1O	827923204	LPGTYCKSVZWDOP-SECBINFHSA-N	271.338	1.004	10	20	CDCD	
C[C@H](NC[C@@H](O)CN(C)C)c1cc2c(cc1O)CCCC2	756554564	IIPNLLLUEPQFPK-SWLSCSKDSA-N	292.423	1.844	10	20	CDCD	
O=[N+]([O-])c1ccc(O)c(CNCCOCCF)c1	853091496	LAJMKMYPTBEDSS-UHFFFAOYSA-N	258.249	1.376	10	20	CDCD	
CC[C@H](NC(C)=O)C(=O)NCc1ccc(N(C)C)cc1	864574031	WQXDPQCASLYNPH-AWEZNQCLSA-N	277.368	1.284	10	20	CDCD	
Cc1noc(C2CN(C(=O)c3cc(O)cs3)C2)n1	765926606	IHCUOIKMYRQMIO-UHFFFAOYSA-N	265.294	1.385	10	20	CDCD	
CCOc1ccc(CN(CC)CCCO)c(O)c1	769482921	LIGKEILUTONYGL-UHFFFAOYSA-N	253.342	1.995	10	20	CDCD	
CCN(CCN)Cc1ccc(N2CCOCC2)c(F)c1	863644628	CRPFJDCDYAZGRA-UHFFFAOYSA-N	281.375	1.443	10	20	CDCD	
Oc1ccccc1CNC[C@H](n1cncn1)C(F)(F)F	865682557	HPRLHAHTVZWCQL-NSHDSACASA-N	286.257	1.877	10	20	CDCD	
Cc1cccc(O)c1CNCCS(=O)(=O)CC1CC1	877109755	FLOVOFMPRNHJTG-UHFFFAOYSA-N	283.393	1.615	10	20	CDCD	
CN(C(=O)[C@H]1COCCN1CC(F)F)c1ccc(N)cc1	877076242	OXNIZRUSPFYSFU-GFCCVEGCSA-N	299.321	1.198	10	20	CDCD	
CC(C)[C@H](CN(C)C)NC(=O)/C=C/c1ccc(O)c(O)c1	779522997	XTNGYLWQKJBLMA-CFNZNRNTSA-N	292.379	1.813	10	20	CDCD	
Cc1cccc(O)c1CN1CC[C@H](C)C[C@H]1C(N)=O	877436942	PKDNPAGOCSXKPT-GWCFXTLKSA-N	262.353	1.786	10	20	CDCD	
CO[C@H]1COCC[C@@H]1CNCc1ccc(C)cc1O	877563763	PHGNIZAYXKGNCA-HIFRSBDPSA-N	265.353	1.842	10	20	CDCD	
COc1cccc(CN[C@H](C)C[C@H]2CCCC(=O)N2)c1O	877525924	MXZFAMNCCOFFTG-DGCLKSJQSA-N	292.379	1.938	10	20	CDCD	
COC(=O)N[C@@H](C)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	773019107	ORUDOSVRUDNTIH-MNOVXSKESA-N	293.367	1.674	10	20	CDCD	
C[C@H](NC[C@@]1(O)CCO[C@@H]1C)c1cc(F)cc(F)c1O	788623970	LWROQOUVTDDKFA-QIBSRJKCSA-N	287.306	1.861	10	20	CDCD	
COc1ccc(O)c(CNC(=S)NC2(C)CC2)c1	789237404	HUIFUDDZFFIGMF-UHFFFAOYSA-N	266.366	1.917	10	20	CDCD	
COc1cc(C)cc(CN2CCC[C@@H](O)C2)c1O	895149641	NTQITVIFXMQCDL-GFCCVEGCSA-N	251.326	1.666	10	20	CDCD	
C[C@@H](NC[C@@H]1COCCO1)c1cc(F)ccc1O	94617776	BDASQGKJRDNOHA-MWLCHTKSSA-N	255.289	1.597	10	20	CDCD	
COc1ccc(O)c(CN[C@@H](C)CC[S@@](C)=O)c1	164758214	IRVGVIAJQGLVQS-YPMLDQLKSA-N	271.382	1.648	10	20	CDCD	
COc1ccc(CNCc2ccc3c(c2)nnn3C)c(O)c1	793385968	FFOQEDRTXDIZPY-UHFFFAOYSA-N	298.346	1.972	10	20	CDCD	
COc1cccc(CN2CC[C@@H](CCN)C2)c1O	723689483	GSOFIKWPTFHVBF-LLVKDONJSA-N	250.342	1.572	10	20	CDCD	
CSC[C@@H](CCO)NCc1cc(F)cc(F)c1O	1331538152	WINUPTWIWWUOJO-SNVBAGLBSA-N	277.336	1.874	10	20	CDCD	
C[C@H]1C[C@H](N)CN1C(=O)NCc1ccc(N(C)C)cc1	1334160803	HEVGGSPDSVKFDP-AAEUAGOBSA-N	276.384	1.384	10	20	CDCD	
COc1ccc(O)c([C@@H](C)Nc2cc(=O)n(C)c(O)n2)c1	1336513253	IGFIIEGJAUCJGN-MRVPVSSYSA-N	291.307	1.373	10	20	CDCD	
Nc1ccc(CNC(=O)NC[C@H]2CCC=CO2)cc1	1357668555	OWLOXEVUGPYSPB-CYBMUJFWSA-N	261.325	1.761	10	20	CDCD	
CO[C@@H]1CCC[C@@H](C(=O)NCc2cccc(O)c2O)C1	1528771758	XBLBHWRCWZIRGB-ZYHUDNBSSA-N	279.336	1.919	10	20	CDCD	
Cc1cc(O)c(CN2CCN(C)C[C@@H](C(=O)O)C2)cc1C	1600286143	LTXXMUKJIQSMKM-CQSZACIVSA-N	292.379	1.457	10	20	CDCD	
Cn1ccc(CSc2ncc(C(=O)O)s2)cc1=O	1600974491	BWCDDNUSRCBZJA-UHFFFAOYSA-N	282.346	1.832	10	20	CDCD	
C[C@]1(C(=O)O)CCN(Cc2cc(F)c(F)cc2O)C1	1573653303	ANSQQIUUEMGFKC-ZDUSSCGKSA-N	271.263	1.967	10	20	CDCD	
COc1cc(C)c(CN(C)C[C@H](C)C(=O)O)c(O)c1	1599390640	HQQNWCXZPDRGOH-JTQLQIEISA-N	267.325	1.862	10	20	CDCD	
Oc1cccc(F)c1CNc1cc(-c2nn[nH]n2)cnn1	1593540434	VJKWCIAGZLGFKJ-UHFFFAOYSA-N	287.258	1.114	10	20	CDCD	
CCOC[C@H](C(=O)O)N(C)Cc1ccc(N(C)C)c(C)c1	1596885470	YLMYSXGUVZNSDK-OAHLLOKOSA-N	294.395	1.983	10	20	CDCD	
CO[C@@H]1CCN(Cc2cccc(C)c2O)[C@@H](C(=O)O)C1	1599124046	PESCLGDWRQMKKM-CHWSQXEVSA-N	279.336	1.765	10	20	CDCD	
O=C(O)/C=C/c1ccc(N2CCC(O)CC2)c([N+](=O)[O-])c1	13192272	AGYGBYBHTMNFGH-DUXPYHPUSA-N	292.291	1.654	10	20	CDCD	
C[C@@H]1CCC[C@]1(O)CNC(=O)Nc1ccc(N)cc1	841300693	ZZXZHZOMILHRQQ-YGRLFVJLSA-N	263.341	1.941	10	20	CDCD	
C[C@H]1C[C@@H](C)[C@@H](CN)CN1C(=O)Cc1ccc(N)cc1	817860499	OERYIJOIDWVPEF-DYEKYZERSA-N	275.396	1.643	10	20	CDCD	
C[C@@H](NC(=O)Cc1ccn(C)n1)c1ccccc1O	827940933	KWTYJFKHFKDQMU-SNVBAGLBSA-N	259.309	1.546	10	20	CDCD	
C[C@@H]1CCCCN1S(=O)(=O)NCCc1ccc(N)cc1	40675718	DRNGNRLGBMLTEH-GFCCVEGCSA-N	297.424	1.520	10	20	CDCD	
CC1(C)CN(C(=O)c2cccc(O)c2O)CC[C@H]1O	275940926	XITQMYYLAZUXBU-LLVKDONJSA-N	265.309	1.331	10	20	CDCD	
CC(C)CNC(=O)CNCc1c(O)cccc1Cl	134653880	SSVNMBURDMJOBF-UHFFFAOYSA-N	270.760	1.907	10	20	CDCD	
CO[C@H](C)C(=O)NCc1ccc(N(C)C)c(F)c1	69913610	OJNJYAIYNPDQTJ-SECBINFHSA-N	254.305	1.543	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2CC1OCCO1	180214906	PKTAKXCTGBLGAX-UHFFFAOYSA-N	264.325	1.324	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)Cn1cc(C2CC2)nn1	121459884	NFPDTTYHPHQNGS-UHFFFAOYSA-N	286.335	1.520	10	20	CDCD	
CS[C@@H](C)CC(=O)NCc1ccc(O)c(O)c1	182510536	ABOQABJGEDJZGH-QMMMGPOBSA-N	255.339	1.856	10	20	CDCD	
COc1cccc(CNC(=O)CC[C@@H](C)OC)c1O	184026033	KNLOGSTVRZNMHP-SNVBAGLBSA-N	267.325	1.832	10	20	CDCD	
CC(C)Cn1cc(C(=O)NCc2ccc(O)c(O)c2)cn1	183288344	LKXZKOAFAWBGKR-UHFFFAOYSA-N	289.335	1.880	10	20	CDCD	
Cc1ccc(O)c(CN2CC[C@@H](S(C)(=O)=O)C2)c1	282407143	CYUHDRVVCJWSBR-GFCCVEGCSA-N	269.366	1.320	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CCS(=O)CC2)c1O	49692130	IJUQWRCOVRVZFI-UHFFFAOYSA-N	285.340	1.298	10	20	CDCD	
CCONC(=O)N(C)Cc1ccc(N(C)C)cc1	193095606	UGXLRZCWURGLOW-UHFFFAOYSA-N	251.330	1.846	10	20	CDCD	
COC[C@](C)(NCc1ccc(N(C)C)cc1)C(=O)OC	193461296	SHWNMCQHPNYHFQ-HNNXBMFYSA-N	280.368	1.420	10	20	CDCD	
CCS(=O)(=O)C[C@H](C)N(C)Cc1cc(F)ccc1O	180157965	QTTUROQKOSBFIS-JTQLQIEISA-N	289.372	1.786	10	20	CDCD	
Cc1ncc(C(=O)N[C@H](C)c2ccccc2O)n1C	913763377	DZVAWSGNVUOHKZ-SECBINFHSA-N	259.309	1.925	10	20	CDCD	
COc1ccc(O)c(CNC[C@H]2CN3CCC[C@@H]3CO2)c1	91662442	CAPDFOSQWUAFLH-HIFRSBDPSA-N	292.379	1.354	10	20	CDCD	
CCO[C@@H]1C[C@H](NCc2cc(F)ccc2O)[C@H]1OC	274847857	ATWGTJDAUXKUNH-IACUBPJLSA-N	269.316	1.813	10	20	CDCD	
Cc1ccc(C(=O)N2CCC(C)(O)CC2)c(O)c1O	272791653	WUFWOXHUPOFORR-UHFFFAOYSA-N	265.309	1.393	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)[C@@H]1C[C@]12CCOC2	364929576	ARVSCMCBBBHBOF-HZMBPMFUSA-N	263.293	1.141	10	20	CDCD	
CN(C)c1ccc(CN2CCN3C(=O)OC[C@H]3C2)cc1F	378344823	CYFBKMTYYHXRQY-GFCCVEGCSA-N	293.342	1.528	10	20	CDCD	
CCN(Cc1cc(F)cc(C(C)=O)c1O)[C@@H]1CCNC1=O	282224185	FDZLTLCAIYJTLU-CYBMUJFWSA-N	294.326	1.444	10	20	CDCD	
O=C(O)c1cc(NS(=O)(=O)CCCCF)ccc1O	287355597	XTGOSDIHHIDBSI-UHFFFAOYSA-N	291.300	1.582	10	20	CDCD	
C[C@@H]1CN(Cc2c(O)ccc3ccccc23)CC(=O)N1	295019072	NBHIRSKMYWSFEO-LLVKDONJSA-N	270.332	1.866	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@](C)(O)C2CC2)c1	804460211	IMEYJAUNCCBLGQ-RFAUZJTJSA-N	279.336	1.739	10	20	CDCD	
CN(C)CCn1nccc1NC(=O)c1cccc(O)c1O	818937211	GCDLKTPYEZOTSB-UHFFFAOYSA-N	290.323	1.108	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)[C@H]1CCC(=O)NC1	727168211	KOEMUUCXVSHAPD-LBPRGKRZSA-N	290.363	1.657	10	20	CDCD	
CC[C@H](NCc1cc(OC)c(OC)cc1O)C(=O)NC	825316976	ZVOPFJXLQCIOMD-JTQLQIEISA-N	282.340	1.024	10	20	CDCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H]1CC[C@H]1O	824354683	OEYSKLIHCUHATC-HUUCEWRRSA-N	287.363	1.385	10	20	CDCD	
C[C@@H]1NCC[C@@H]1C(=O)NCc1ccc(N2CCCC2)cc1	827004322	FFCVNCJGBRQLSD-BBRMVZONSA-N	287.407	1.901	10	20	CDCD	
Cc1cnn(CC(=O)NCCc2ccc(N)cc2)c1	832658709	AUJYGXFWXHXCPM-UHFFFAOYSA-N	258.325	1.133	10	20	CDCD	
CCOCc1cc(CN[C@H](C)C(=O)O)ccc1OC	739492127	BOYMLWFRVZGXKK-SNVBAGLBSA-N	267.325	1.794	10	20	CDCD	
CCOCCCNC(=S)NCc1cc(OC)ccc1O	733906096	IAOPBXPTJONGDW-UHFFFAOYSA-N	298.408	1.792	10	20	CDCD	
Cc1nc2n(n1)C[C@H](NC(=O)c1cc(O)cs1)CC2	732283855	CQYHPKXUPNPJIG-MRVPVSSYSA-N	278.337	1.098	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1CC(=O)N(C2CC2)C1	840941040	OHESXGQSAOOVQL-UHFFFAOYSA-N	273.380	1.825	10	20	CDCD	
Cc1cccc(CNCc2nc([C@H]3CCCO3)n[nH]2)c1O	848924258	OVLWSOWDTLNYKM-GFCCVEGCSA-N	288.351	1.960	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)NCC2(N(C)C)CC2)c1	841763660	OZMSYNGJFGMEKA-LLVKDONJSA-N	292.379	1.924	10	20	CDCD	
COc1cccc([C@H](C)NC[C@H](CO)[C@@H]2CCOC2)c1O	846166590	AKAORRAZTRXVBF-YNEHKIRRSA-N	295.379	1.696	10	20	CDCD	
CC(C)[C@H](C(=O)O)C(=O)NCc1ccc(N(C)C)c(F)c1	844245218	DHQQTYBVZHZSAT-ZDUSSCGKSA-N	296.342	1.865	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2C[C@@H](C)NC[C@H]2C)c1O	842474585	VRNQDCXRTLIQSH-NXEZZACHSA-N	280.343	1.916	10	20	CDCD	
COCCNC(=O)C1(N[C@@H](C)c2ccccc2O)CC1	840822426	NAFMXCMKKZMTKW-NSHDSACASA-N	278.352	1.338	10	20	CDCD	
COc1ccc(O)c(CNC(=O)C[C@H]2CCOC2)c1	740085626	FYYBKJMDGHHKLJ-SNVBAGLBSA-N	265.309	1.444	10	20	CDCD	
C[C@@H](NC[C@@H](C)S(C)(=O)=O)c1cc(F)cc(F)c1O	756770098	QPTSIXPPAJNHEC-HTQZYQBOSA-N	293.335	1.754	10	20	CDCD	
COc1cccc(CNC(=O)c2coc(C(N)=O)c2)c1O	759958069	KCUDZXJXLICVLF-UHFFFAOYSA-N	290.275	1.023	10	20	CDCD	
COc1cc(C(=O)N[C@H]2CCN(C(C)C)C2)cc(OC)n1	1015104230	REKWMLRGSFSEKW-LBPRGKRZSA-N	293.367	1.311	10	20	CDCD	
C[C@@H]1CCNC(=O)[C@H]1NCc1cc(F)c(N(C)C)cc1F	858161723	DIFAQPMYQRVZAF-OTYXRUKQSA-N	297.349	1.645	10	20	CDCD	
COc1cc(CN(C)[C@@H]2CCNC2=O)c(O)cc1C	768464590	CLXCERXVVKPBPN-LLVKDONJSA-N	264.325	1.030	10	20	CDCD	
CN(CCOCCN)Cc1cc(Cl)cc(F)c1O	863651572	LEPQUALEEXFEMS-UHFFFAOYSA-N	276.739	1.592	10	20	CDCD	
Cc1nnc(COC(=O)/C=C/c2ccc(O)c(O)c2)o1	772776299	PTRZCGWQQJQPJD-HWKANZROSA-N	276.248	1.546	10	20	CDCD	
C[C@H](NC(=O)C1CCCC1)C(=O)N(C)c1ccc(N)cc1	877080503	JXOLWWCYTXSUTG-NSHDSACASA-N	289.379	1.927	10	20	CDCD	
COc1cccc(CN2CCSC[C@@H]2CO)c1O	877779861	GJNQNZIOJXOCCV-NSHDSACASA-N	269.366	1.311	10	20	CDCD	
C[C@H](NCCS(=O)(=O)C1CC1)c1c(O)cccc1F	886626653	HVTXOQKOVYIWAG-VIFPVBQESA-N	287.356	1.759	10	20	CDCD	
COc1ccc(CN[C@H]2C[C@H](C(=O)OC)C2)c(O)c1OC	895471755	ZOWYXTINYQSXKN-XYPYZODXSA-N	295.335	1.451	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)CC1OCCO1	788655873	CKOCNLAWQMVTGZ-UHFFFAOYSA-N	279.336	1.894	10	20	CDCD	
CNC(=O)N1CCN(Cc2cccc(C)c2O)CC1	271841740	QFVDBVZKBGKECG-UHFFFAOYSA-N	263.341	1.158	10	20	CDCD	
CCOc1ccc(CN[C@@H](C)C(=O)N(C)CC)c(O)c1	788972601	ARZWQDUPOULABS-NSHDSACASA-N	280.368	1.747	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN[C@H]1C(=O)NCC1(C)C	895322507	UEDGSLQTEHNVHT-AWEZNQCLSA-N	275.396	1.675	10	20	CDCD	
O=S1(=O)CCCN(Cc2cc(Cl)ccc2O)CC1	219780772	VCLYHPGJXLRNFN-UHFFFAOYSA-N	289.784	1.666	10	20	CDCD	
CCOc1cccc(CN[C@H](C)CS(C)(=O)=O)c1O	78639418	XHXXZNAPXGRYNQ-SNVBAGLBSA-N	287.381	1.314	10	20	CDCD	
C[C@H](NCc1ccc(N2CCSCC2)cc1)C(=O)O	1336116547	GBGNBFJXYDODBE-NSHDSACASA-N	280.393	1.803	10	20	CDCD	
CCCC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)OCC	1254760405	DLGWLIWXNKWYFG-NSHDSACASA-N	295.335	1.488	10	20	CDCD	
Nc1ccc(CNC(=O)NCCOCCF)cc1	1336151085	POZRTSKMCCIOMC-UHFFFAOYSA-N	255.293	1.054	10	20	CDCD	
CCN1CCC[C@H](CNC(=O)c2c(F)ccc(O)c2O)C1	1261256412	GGGHLRXNGNMQTJ-SNVBAGLBSA-N	296.342	1.699	10	20	CDCD	
COc1ccc(CNC(=O)[C@H]2CCC[C@H]2OC)c(O)c1	1358185376	KGFCOBXXXKUNOE-GXTWGEPZSA-N	279.336	1.832	10	20	CDCD	
C[C@@H](CN(C)Cc1ccc(F)c(F)c1O)C(=O)O	1603155944	YUZVCSGWRXVOJT-ZETCQYMHSA-N	259.252	1.823	10	20	CDCD	
CC[C@@H](NC1CCN(CC(=O)O)CC1)c1ccccc1O	1603585428	DLVFUCXWNMZWEA-CQSZACIVSA-N	292.379	1.982	10	20	CDCD	
O=C(O)[C@]1(C(=O)NCc2cccc(O)c2O)CC=CCC1	1605930016	QLKBEZAPDSNVAM-OAHLLOKOSA-N	291.303	1.525	10	20	CDCD	
Cc1cccc(CN2CCC[C@H](O)[C@H]2C(=O)O)c1O	1610522146	SMHWOUKEGXLYKO-RYUDHWBXSA-N	265.309	1.111	10	20	CDCD	
C[C@H](NCc1cc(F)ccc1O)C(=O)N1CCCC1	226607533	YHFDFCBMZRFOCR-JTQLQIEISA-N	266.316	1.632	10	20	CDCD	
CN(Cc1ccc(F)c(F)c1O)C1(CN)CCC1	1578489874	RNHYLPAEHGNWPK-UHFFFAOYSA-N	256.296	1.984	10	20	CDCD	
CC(C)(O)[C@H](N)C(=O)NCc1c(O)ccc2ccccc12	1575387365	OLJDEBXSUBVQEU-CQSZACIVSA-N	288.347	1.260	10	20	CDCD	
CCOC(=O)[C@@H](NC(=O)Cc1ccc(N)cc1)[C@H](C)CC	161504000	XZGKONIBZRKRDC-ABAIWWIYSA-N	292.379	1.905	10	20	CDCD	
CN(C)C(=O)[C@H]1CCN(Cc2cccc(Cl)c2O)C1	840957126	FKWSOHPZPIEZPF-NSHDSACASA-N	282.771	1.956	10	20	CDCD	
CN(Cc1ccccc1O)c1ccc(S(C)(=O)=O)cn1	1117262386	VMUILQJEKOVHLT-UHFFFAOYSA-N	292.360	1.827	10	20	CDCD	
Oc1cc2c(cc1CNCCc1ccccn1)OCO2	42879203	YVMNWBJNZAAPIB-UHFFFAOYSA-N	272.304	1.848	10	20	CDCD	
CC[C@@H]1CN(C(=O)Cc2ccc(N)cc2)[C@@H](C)CO1	403706832	GHWHMXRKXVZYNE-SMDDNHRTSA-N	262.353	1.837	10	20	CDCD	
CNC(=O)C[C@H](C)N[C@@H](C)c1cc(F)ccc1O	322527530	OJCOQAGTHPIMIP-IUCAKERBSA-N	254.305	1.707	10	20	CDCD	
O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1CCOC1	174521000	KWVUPBOUFVKSQY-GFCCVEGCSA-N	275.348	1.924	10	20	CDCD	
Nc1ccc(CNC(=O)[C@@H]2CCCN2c2ncccn2)cc1	1342020990	LURDFUHFEZJBBF-AWEZNQCLSA-N	297.362	1.344	10	20	CDCD	
C[C@H](C(=O)NCc1ccc(N(C)C)cc1)n1cncn1	27582194	UBFOCGIAWMHRMA-LLVKDONJSA-N	273.340	1.222	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1cc[nH]n1	173195740	XMTCFTLHZDDTGZ-UHFFFAOYSA-N	272.308	1.515	10	20	CDCD	
CSCCCNC(=O)c1ccc(C)c(O)c1O	182472719	ZCFMGNIJVYYMGZ-UHFFFAOYSA-N	255.339	1.889	10	20	CDCD	
COCCN(C)c1ccc(/C=C\C(=O)O)cc1[N+](=O)[O-]	216090196	XJPVZDUUYFURIO-XQRVVYSFSA-N	280.280	1.775	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1=CCCCO1	186413340	PAXQTOPPPLILTC-SNVBAGLBSA-N	277.320	1.839	10	20	CDCD	
CCCC(=O)NCc1ccc(N2CCN(C)CC2)cc1	49740607	UOXHTNMJGBGIAM-UHFFFAOYSA-N	275.396	1.855	10	20	CDCD	
Cc1ccn(C)c1C(=O)NCc1ccc(O)c(O)c1	190201485	SPTKZJAJEUEBOX-UHFFFAOYSA-N	260.293	1.675	10	20	CDCD	
COC(=O)C[C@H](C)C(=O)NCc1ccccc1O	268237334	LLLQRBZXEIMLFK-VIFPVBQESA-N	251.282	1.208	10	20	CDCD	
Cc1ccc([C@@H](C)NCCN2C(=O)CNC2=O)c(O)c1C	273710894	KOZKTRKWHUJMKM-LLVKDONJSA-N	291.351	1.211	10	20	CDCD	
O=C1CN(Cc2cc3c(cc2O)OCO3)CN1CC1CC1	279513481	XPBNUIDZEGJNRH-UHFFFAOYSA-N	290.319	1.133	10	20	CDCD	
CC(C)OC(=O)CCCNC(=O)NCc1ccccc1O	274176334	DHVJTKJUDNNZKT-UHFFFAOYSA-N	294.351	1.923	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)NCCn2ccnc2)c1	273438421	XQEACAPNBPLGSH-NSHDSACASA-N	289.335	1.726	10	20	CDCD	
COCC[C@@H](CO)N[C@@H](C)c1cc(C)ccc1O	281702440	STTUCNDNAGZJOV-RYUDHWBXSA-N	253.342	1.749	10	20	CDCD	
CCN(C)c1ccc(CN2C[C@@H]3[C@@H](CO)[C@@H]3C2)cc1	815121902	ZPLOJNNICUJZBA-ZSHCYNCHSA-N	260.381	1.813	10	20	CDCD	
Cc1cc(Cl)cc([C@@H](C)NCCN2CCNCC2)c1O	817944864	NXVXWTGUUAMVQV-GFCCVEGCSA-N	297.830	1.910	10	20	CDCD	
C[C@@H](CC(=O)O)NCc1ccc(N2CCN(C)CC2)cc1	820085925	ZCVLLAFXMWJVKS-ZDUSSCGKSA-N	291.395	1.391	10	20	CDCD	
CC(C)NC(=O)CN(C)c1ccc(OCC(=O)O)cc1	833502593	SJAMVJFEURLRNF-UHFFFAOYSA-N	280.324	1.111	10	20	CDCD	
C=CC(=O)N(CC)CC(=O)NCc1ccccc1O	901123165	IMAJBCAXEDLGCG-UHFFFAOYSA-N	262.309	1.043	10	20	CDCD	
COc1cccc(O)c1CN1CC(OC(F)F)C1	839145878	WOFXBIOLBWFWDT-UHFFFAOYSA-N	259.252	1.824	10	20	CDCD	
CCN(C)c1ccc(CN(C)CCNC(C)=O)cc1	830147989	AETBFICMOWPMHH-UHFFFAOYSA-N	263.385	1.711	10	20	CDCD	
COc1cccc(CNC(=O)c2cnc3n2CCC3)c1O	830541232	VLZUHTHYLJORBG-UHFFFAOYSA-N	287.319	1.474	10	20	CDCD	
Cc1ccc2c(c1)N(C(=O)c1ccoc1CC(N)=O)CC2	671675458	CUUCOYPEFCLDPM-UHFFFAOYSA-N	284.315	1.819	10	20	CDCD	
NCC1CCN(Cc2cc3c(cc2O)OCO3)CC1	843047652	TTZBOKOZPVAUFO-UHFFFAOYSA-N	264.325	1.292	10	20	CDCD	
CNCCNC(=O)N[C@H](C)c1ccc(N(C)C)cc1	841882677	MNWVZZKPRKSHTM-LLVKDONJSA-N	264.373	1.332	10	20	CDCD	
COc1cccc([C@@H](C)N[C@@H]2CCCN(C)C2=O)c1O	846145099	KHADGFDDTNDEBY-ZYHUDNBSSA-N	278.352	1.672	10	20	CDCD	
NC1CCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1	843047035	DMIQOLQUOAYZBG-UHFFFAOYSA-N	293.386	1.585	10	20	CDCD	
CCN1C[C@@H](CNCc2cccc(OC)c2O)CC1=O	846094303	SGEBCHJCIVVEPW-LLVKDONJSA-N	278.352	1.359	10	20	CDCD	
CN1CCN(c2ccc(CNC[C@@H]3CCCN3)cc2)CC1	841034350	AADRQULGVQSLGX-INIZCTEOSA-N	288.439	1.280	10	20	CDCD	
Cc1ccc(C(=O)N2CCC[C@@H](CO)[C@H]2C)c(O)c1O	840555555	AGTQOLAVHJUNOU-MNOVXSKESA-N	279.336	1.639	10	20	CDCD	
Cc1ccc(C(=O)N[C@]2(C)CC(C)(C)OC2=O)c(O)c1O	848150182	JCUXKOWHKLJMPR-OAHLLOKOSA-N	293.319	1.620	10	20	CDCD	
CCOc1cccc(CN[C@H](CO)[C@@H]2CCCOC2)c1O	840962921	OCBPDFGRTGUZED-ZIAGYGMSSA-N	295.379	1.668	10	20	CDCD	
CN1CCCc2cc(CNC(=O)CCNC3CC3)ccc21	848412293	MUZXYMAUXMSIGF-UHFFFAOYSA-N	287.407	1.827	10	20	CDCD	
CCCN(CC)CCNC(=O)NCCc1ccc(N)cc1	841848670	VTEWPDAFUDXEFD-UHFFFAOYSA-N	292.427	1.842	10	20	CDCD	
Cc1nc([C@@H](C)OC(=O)c2cccc(O)c2O)n[nH]1	840458610	DEXNWPVGGAHLIZ-ZCFIWIBFSA-N	263.253	1.442	10	20	CDCD	
CCCN(C)C(=O)NC[C@H](N)c1ccc(N(C)C)cc1	842785062	LHLXXGJESVSVNI-AWEZNQCLSA-N	278.400	1.804	10	20	CDCD	
CCN1CCOC[C@@H]1C(=O)NCc1cc(Cl)ccc1O	846474579	VNXZPYYTRSTONI-GFCCVEGCSA-N	298.770	1.383	10	20	CDCD	
COCCOCCc1nc(Cc2ccc(N)cc2)no1	843159274	OCBYIRFFAUHZMM-UHFFFAOYSA-N	277.324	1.448	10	20	CDCD	
C[C@@H]1CN(C(=O)NCCc2ccc(N)cc2)CCCO1	841957044	MCYRCDJUIQIAGK-GFCCVEGCSA-N	277.368	1.632	10	20	CDCD	
Cc1nc(CNc2ccccc2OCCC(N)=O)[nH]c1C	850208075	DWHNTSGJSYLZBN-UHFFFAOYSA-N	288.351	1.893	10	20	CDCD	
O=C(NCc1cc(Cl)ccc1O)c1cnccn1	857547218	VINDHEJAJPCQQX-UHFFFAOYSA-N	263.684	1.766	10	20	CDCD	
COc1cc(O)c(CN2CCc3n[nH]cc3C2)cc1OC	857876022	KRPMXKWDTUICDP-UHFFFAOYSA-N	289.335	1.691	10	20	CDCD	
CCOc1cccc(CN[C@@H]2COC[C@H]2OC)c1O	842752497	NGAUFQHCHGQILA-DGCLKSJQSA-N	267.325	1.294	10	20	CDCD	
CCOc1ccc(CN2CCC[C@H](O)C2)c(O)c1	768141179	QSSLKWHGOSKRGT-LBPRGKRZSA-N	251.326	1.748	10	20	CDCD	
C[C@@H](NS(=O)(=O)C[C@@H]1CCCCO1)c1ccccc1O	867834540	QKKLLODSJWYNOP-NEPJUHHUSA-N	299.392	1.942	10	20	CDCD	
COC(=O)N1CC(NC(=O)N[C@H](C)c2ccccc2O)C1	875400409	MDHGJYLDMZKIHP-SECBINFHSA-N	293.323	1.203	10	20	CDCD	
CN(C)CCn1cc(C(=O)N(C)c2ccc(N)cc2)cn1	877074445	KPCNWRFYGILGMB-UHFFFAOYSA-N	287.367	1.304	10	20	CDCD	
CCS(=O)(=O)C1CN(Cc2c(C)cccc2O)C1	877569108	GTMOBMINPMFTAJ-UHFFFAOYSA-N	269.366	1.320	10	20	CDCD	
COc1ccc(CNC(=O)NCc2ccccc2O)nc1	770440504	AGFDLVBDIWOKBH-UHFFFAOYSA-N	287.319	1.795	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCCCN(C)C	773739719	JCEUDPYNLPMZEZ-LBPRGKRZSA-N	294.395	1.877	10	20	CDCD	
C[C@@H](NCC1(C(N)=O)CCOCC1)c1c(O)cccc1F	886502620	HMWKXUKCLNOCPS-SNVBAGLBSA-N	296.342	1.464	10	20	CDCD	
CC[C@H](C(=O)OC)C(=O)OCC(=O)c1ccc(O)c(O)c1	784937285	KCUXRRZQNYHLPM-SECBINFHSA-N	296.275	1.023	10	20	CDCD	
CC[C@H]1CN(Cc2cc(F)cc(F)c2O)C[C@H]1O	894094088	JIEZBCLOZDCZCD-QPUJVOFHSA-N	257.280	1.873	10	20	CDCD	
COC(=O)[C@](C)(CO)NCc1ccc(N(C)C)cc1C	894972903	VNZHKXXXRSPMEP-HNNXBMFYSA-N	280.368	1.075	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N2CCC[C@@H]2CO)cc1	104768514	ZHHVIWZINFCMCN-CQSZACIVSA-N	277.368	1.419	10	20	CDCD	
O=C1CC[C@@H]2CN(Cc3cc(F)cc(F)c3O)CC[C@H]2N1	895258298	BYOWZGUFJOJEPU-NOZJJQNGSA-N	296.317	1.771	10	20	CDCD	
COc1ccc(CNC(=O)NC[C@H]2CCSC2)c(O)c1	793098698	MAFGAZRRDWWTSW-SNVBAGLBSA-N	296.392	1.953	10	20	CDCD	
COC[C@@H](CO)NCc1c(O)ccc(Cl)c1F	793324148	IJAUYOHZCXPFOT-SSDOTTSWSA-N	263.696	1.282	10	20	CDCD	
CCC[C@@H](O)CC(=O)NCc1ccc(OC)cc1O	794374645	XHMFKZACUTUTQD-LLVKDONJSA-N	267.325	1.568	10	20	CDCD	
COc1ccc(CNC(=O)/C=C\c2cnn(C)c2)c(O)c1	794378435	HCPBEBDLQZLMRD-UTCJRWHESA-N	287.319	1.464	10	20	CDCD	
COc1ccc(O)c(CN2C[C@@H](C)N(C)C[C@@H]2C)c1	775984958	IRJOZIJPJKFARO-NEPJUHHUSA-N	264.369	1.925	10	20	CDCD	
Nc1ccc(CNC(=O)N2CCC[C@H]2CCO)cc1	1335723920	DESQEOJWJDVVAR-ZDUSSCGKSA-N	263.341	1.325	10	20	CDCD	
COC1CCC(C(=O)NCc2cccc(O)c2O)CC1	1348046686	ILWJLIMLEXMEON-UHFFFAOYSA-N	279.336	1.919	10	20	CDCD	
C[C@H](NCCCCN)c1cc([N+](=O)[O-])ccc1O	1348852371	LCSDJKWFYOLGRJ-VIFPVBQESA-N	253.302	1.690	10	20	CDCD	
O=C(O)c1cnc(CCNC(=O)c2cc(O)cs2)s1	1602516822	TUUJEXSKPCZXAU-UHFFFAOYSA-N	298.345	1.581	10	20	CDCD	
Cn1cnc(/C=C/C(=O)N2CCc3c(C(=O)O)cccc32)c1	1600990044	IZTFWAVIKYFNGO-AATRIKPKSA-N	297.314	1.721	10	20	CDCD	
CC(C)c1ccc(O)c(CN2CCN[C@H](CCO)C2)c1	1575858463	GNFHXXIAXIBZAN-OAHLLOKOSA-N	278.396	1.672	10	20	CDCD	
Cc1ccc(CNCC2(C(=O)O)CCOCC2)c(O)c1	1594362663	YTPUUCOZRMYSHS-UHFFFAOYSA-N	279.336	1.672	10	20	CDCD	
COc1cc(C)cc(CN(C)C[C@H](C)C(=O)O)c1O	1594054613	ZCKNHCGQGDXALB-JTQLQIEISA-N	267.325	1.862	10	20	CDCD	
Oc1ccc(F)cc1CNCC1CC2(C1)OCCO2	896912454	WKYSVKGXKFRSRI-UHFFFAOYSA-N	267.300	1.774	10	20	CDCD	
CCn1cc(C(=O)NCc2cccc(OC)c2O)cn1	114538832	CEBJUFLGQFASNC-UHFFFAOYSA-N	275.308	1.547	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NCC2(C)COC2)cc1	112713511	MWJCBZXYTGUEDA-UHFFFAOYSA-N	277.368	1.588	10	20	CDCD	
CO[C@@]1(CNCc2c(O)cccc2Cl)CCOC1	122902879	UYJQSMPRWLLLJN-CYBMUJFWSA-N	271.744	1.941	10	20	CDCD	
COCCN1CCN(Cc2c(O)cccc2Cl)CC1	123008854	CRAAWSXGBYEREF-UHFFFAOYSA-N	284.787	1.810	10	20	CDCD	
COc1cccc(CN2CCN(CC(C)(C)O)CC2)c1O	129994603	ZELOGXVFYKVKFG-UHFFFAOYSA-N	294.395	1.289	10	20	CDCD	
CC[C@@H](C)NC(=O)CN(C)Cc1ccccc1O	171937064	TVKRLTJQHSEFIG-LLVKDONJSA-N	250.342	1.739	10	20	CDCD	
OC[C@@H]1C[C@H](O)CN1Cc1cc(Cl)cc(Cl)c1O	187668715	VLZBJIQRBMABSZ-UWVGGRQHSA-N	292.162	1.627	10	20	CDCD	
C[C@@H](NC[C@H]1CN(C)CCO1)c1ccc(F)c(F)c1O	187774708	UVGHQCMYAOKYMC-ZJUUUORDSA-N	286.322	1.652	10	20	CDCD	
CCOc1cccc([C@H]2NC(=O)CN2CC)c1O	189860101	PMUUDPLOPPNRAR-ZDUSSCGKSA-N	250.298	1.241	10	20	CDCD	
Nc1ccc(CC(=O)NC2(C(=O)O)CCCCC2)cc1	40479548	IWCRCBWROKJYAE-UHFFFAOYSA-N	276.336	1.715	10	20	CDCD	
COCCN1CCN(c2ccc(OC)c(F)c2)CC1	84866543	PHMIHGPFWGTAGQ-UHFFFAOYSA-N	268.332	1.603	10	20	CDCD	
C[C@H]1CCNC(=O)[C@@H]1NCc1cc(F)ccc1O	195007487	VAZFAXBPTPCLLY-QPUJVOFHSA-N	252.289	1.146	10	20	CDCD	
CCCC[C@H](CC)CNC=C1C(=O)NC(=S)NC1=O	48402863	SWFNLIRWKAJYMB-VIFPVBQESA-N	283.397	1.207	10	20	CDCD	
C[C@@H](O)C[C@@H]1COCCN1Cc1ccc(N(C)C)cc1	193558053	HCGMSFBPYSYBQZ-CZUORRHYSA-N	278.396	1.724	10	20	CDCD	
C[C@H](NCc1cc(F)ccc1O)c1nnnn1C1CC1	191834464	VJVZVTQTYIZLCM-QMMMGPOBSA-N	277.303	1.704	10	20	CDCD	
COC[C@@H](C)CNC(=O)NCc1ccc(N(C)C)cc1	140298519	XOUDQVSZYOCWSZ-LBPRGKRZSA-N	279.384	1.834	10	20	CDCD	
CN(C)c1ccc(CNS(=O)(=O)Cc2ccon2)cc1	266228199	RASUWKPPLIZBSJ-UHFFFAOYSA-N	295.364	1.360	10	20	CDCD	
C[C@@H](O)CCN(C)C(=O)NCc1ccc(N(C)C)c(F)c1	269185416	CTLMPMTUVCQDIA-LLVKDONJSA-N	297.374	1.804	10	20	CDCD	
COC(=O)N[C@@H](C)C(=O)NCc1ccc(N(C)C)cc1	270506565	NOCVJPBEDMKJFL-JTQLQIEISA-N	279.340	1.113	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2CCO[C@H](C)C2)c1O	278281524	SXYGLCNQDDJNMU-SECBINFHSA-N	282.296	1.530	10	20	CDCD	
COc1cccc(CN2CC[S@](=O)[C@H](C)[C@@H]2C)c1O	271189266	KWRVMLMRPMGUBG-QQKBFRNYSA-N	283.393	1.742	10	20	CDCD	
C[C@@H]1OCC[C@]1(O)CNCc1ccc(N(C)C)c(F)c1	278748265	WBSNWOJQPHYRLP-NHYWBVRUSA-N	282.359	1.521	10	20	CDCD	
CCN(C[C@@H]1CCS(=O)(=O)C1)c1ccc(OC)cc1	279847875	ATWZHHNRSHYTCT-LBPRGKRZSA-N	283.393	1.956	10	20	CDCD	
C[C@H](N[C@H]1CC(=O)N(C)C1)c1ccc(F)c(F)c1O	276935611	OXWAGERGUNSWFR-YUMQZZPRSA-N	270.279	1.552	10	20	CDCD	
CN(Cc1ccc(N(C)C)c(F)c1)Cc1nncn1C	289990635	CFRDTCVCKNECNG-UHFFFAOYSA-N	277.347	1.652	10	20	CDCD	
COC(=O)C[C@@H]1COCCN1Cc1c(O)cccc1OC	809773407	RGYLOGUHKXZZQN-LLVKDONJSA-N	295.335	1.165	10	20	CDCD	
Cc1nccn1CCCNC(=O)c1c(F)ccc(O)c1O	294810278	JKUAZJWYSIUPJW-UHFFFAOYSA-N	293.298	1.562	10	20	CDCD	
CN1CCCc2cc(CNC(=O)[C@@H]3CCCN3C)ccc21	299487113	HJKXYFOWGBKWHV-INIZCTEOSA-N	287.407	1.779	10	20	CDCD	
CCCOc1ccc(CN2CC(CC(N)=O)C2)c(O)c1	297537481	ZUGMBXUWZBBKLA-UHFFFAOYSA-N	278.352	1.488	10	20	CDCD	
CC(=O)C(=O)COC(=O)c1nc(Cl)ccc1Cl	808484715	GMEUSQRFYKBRNQ-UHFFFAOYSA-N	276.075	1.703	10	20	CDCD	
C[C@H](O)CNCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1	818967695	ZJLHGSWBBCEJJV-AVGNSLFASA-N	296.386	1.910	10	20	CDCD	
Cc1cc(CN2CC(=O)N(C)C[C@@H]2C)ccc1N(C)C	815098946	OYJJPKJSXNZTRU-ZDUSSCGKSA-N	275.396	1.724	10	20	CDCD	
Cc1cc(CN[C@H]2C(=O)NCC[C@H]2C)ccc1N(C)C	815106861	BVXPWFLMJQGWAY-IAQYHMDHSA-N	275.396	1.675	10	20	CDCD	
COc1c(C(=O)N[C@H](C)c2ccccc2O)c(C)nn1C	827937086	KARAQYRETHFDRG-SECBINFHSA-N	289.335	1.934	10	20	CDCD	
CCC(=O)N[C@@H](C)C(=O)N[C@H](C)c1ccccc1O	827930418	JWAOLAMTPPYLSJ-ZJUUUORDSA-N	264.325	1.484	10	20	CDCD	
CCn1nc(C)c(COC(=O)c2cc(O)cs2)n1	837516506	YOIKDEWTKHNHGE-UHFFFAOYSA-N	267.310	1.731	10	20	CDCD	
CCOC[C@@H](O)CN(C)c1ccc(OC)c(OC)c1	733610200	QNUIYQQGJUJGAS-LBPRGKRZSA-N	269.341	1.537	10	20	CDCD	
CO[C@@H]1COCC[C@H]1CNC(=O)NCc1ccccc1O	836573890	KDAUECXPMFBQTC-GXTWGEPZSA-N	294.351	1.243	10	20	CDCD	
C[C@@H]1CN(C(=O)/C=C\c2ccc(O)c(O)c2)C[C@@H]1C(=O)O	833617886	IKIIBBBFQAJKFZ-PMEPJVLUSA-N	291.303	1.290	10	20	CDCD	
CCOC(=O)CCCOC(=O)c1ccc(C)c(O)c1O	733476416	PNQHDQOJBXEXIG-UHFFFAOYSA-N	282.292	1.906	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)NCC1(N)CCC1	841827337	LYDDPMHUZNVJKU-UHFFFAOYSA-N	290.411	1.742	10	20	CDCD	
Cc1cccc(CN[C@H]2CCc3c(nnn3C)C2)c1O	848925704	DDDDJHGHVAKHPM-LBPRGKRZSA-N	272.352	1.476	10	20	CDCD	
N[C@@H]1CCC[C@@H](NCc2cc3c(cc2O)OCO3)C1	841056148	YNHZNXCAFIWQDB-GHMZBOCLSA-N	264.325	1.480	10	20	CDCD	
COc1cc(O)c(CN(CC(=O)O)C2CCC2)cc1OC	848639086	FPPOBIOIDRADNA-UHFFFAOYSA-N	295.335	1.849	10	20	CDCD	
C[C@H]1C[C@H](NCc2cc([N+](=O)[O-])ccc2O)CO1	842673440	LYHPKPUOIRTEAN-WPRPVWTQSA-N	252.270	1.567	10	20	CDCD	
O=C1NC(=S)S/C1=C\c1cc(C(=O)O)ccc1O	740318301	ZNGNVFYCTKMNDM-YWEYNIOJSA-N	281.314	1.579	10	20	CDCD	
COc1cccc(CN[C@H](C)[C@@H]2CCCNC2)c1O	841033451	NXQSJRFEKCIZPJ-VXGBXAGGSA-N	264.369	1.879	10	20	CDCD	
N[C@@H]1CCCN(Cc2ccc(N3CCOCC3)c(F)c2)C1	843043915	QCXJGUYXDBWILG-CQSZACIVSA-N	293.386	1.585	10	20	CDCD	
C[C@@H](CN)CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1	841882515	JSNUMIRXZHPDSJ-NWDGAFQWSA-N	278.400	1.708	10	20	CDCD	
COc1ccc(CNC(=O)NCC2(N(C)C)CC2)c(O)c1	922996873	RWIQNTREJJMNTF-UHFFFAOYSA-N	293.367	1.294	10	20	CDCD	
C[C@@H]1CNCCN1Cc1cccc(Br)c1O	843048043	JYSREGQTSCLXIN-SECBINFHSA-N	285.185	1.948	10	20	CDCD	
Nc1ccc(NC(=O)C(=O)NCC2CCCC2)cc1	841007398	WDULFYKPCMPLEJ-UHFFFAOYSA-N	261.325	1.514	10	20	CDCD	
COc1ccc(CNC2(C(=O)O)CCOCC2)cc1C	841801311	PVIGLKJKOKCDJZ-UHFFFAOYSA-N	279.336	1.727	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H](C)OC)c1	852530514	IAMAEJJWLSRFQN-VHSXEESVSA-N	282.340	1.796	10	20	CDCD	
COc1cccc(CNC(=O)c2ocnc2C)c1O	751060987	SNVFKLVSVIKPQB-UHFFFAOYSA-N	262.265	1.627	10	20	CDCD	
C[C@@H](NC[C@H](O)CN(C)C)c1cc2c(cc1O)CCCC2	756554561	IIPNLLLUEPQFPK-DOMZBBRYSA-N	292.423	1.844	10	20	CDCD	
C[C@@H](NCc1nncn1C)c1cc(F)cc(F)c1O	756400400	KGSILPVFYMAKKF-SSDOTTSWSA-N	268.267	1.650	10	20	CDCD	
Oc1c(F)cc(Cl)cc1CN[C@@H]1CCOC[C@H]1O	862531729	JUQHRGXSRNQTPV-GHMZBOCLSA-N	275.707	1.424	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2ccc([N+](=O)[O-])[nH]2)c1	769529667	KXMFOOYJMUEBNU-UHFFFAOYSA-N	291.263	1.567	10	20	CDCD	
O=C(NCc1ccccc1O)c1cccc([N+](=O)[O-])c1O	769001296	NACAPOXYVXNSKI-UHFFFAOYSA-N	288.259	1.936	10	20	CDCD	
COc1ccc(O)c(CN2CCN(CCCCO)CC2)c1	775689329	DBXHYOXOCALXMG-UHFFFAOYSA-N	294.395	1.291	10	20	CDCD	
NC(=O)[C@@H]1CCN(Cc2cc(Cl)cc(F)c2O)C1	775637654	UDOGNMKAQKICQY-SSDOTTSWSA-N	272.707	1.492	10	20	CDCD	
COc1cc(O)c(CN(CCCO)C2CC2)cc1OC	775701821	NDPQGDUDOWKNPK-UHFFFAOYSA-N	281.352	1.756	10	20	CDCD	
Cc1cc(Cn2cc([C@@H](C)O)nn2)ccc1N(C)C	881378284	LOMAWRPIKOOXIR-LLVKDONJSA-N	260.341	1.754	10	20	CDCD	
CN[C@H](C)c1cn(Cc2ccc(N(C)C)c(C)c2)nn1	881376935	AVGGPSIBSXIDCG-GFCCVEGCSA-N	273.384	1.981	10	20	CDCD	
CCN(C(=O)c1cc(O)cs1)C(C)(C)C(=O)OC	886429666	OFEPNXVZLXQMKY-UHFFFAOYSA-N	271.338	1.867	10	20	CDCD	
CCNC(=O)N1CC[C@H](NCc2cc(F)cc(F)c2O)C1	883044202	KVBNHOMGYYUBCE-NSHDSACASA-N	299.321	1.564	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CNc2ccccn2)cc1	899983958	WCYXDIAYHIPBNH-UHFFFAOYSA-N	284.363	1.876	10	20	CDCD	
CO[C@@H]1CN(Cc2cc(Cl)ccc2O)CCO1	895970726	UTMLFNNJNYAECL-LBPRGKRZSA-N	257.717	1.850	10	20	CDCD	
CCc1cccc(CN2C[C@H](O)C[C@]2(C)CO)c1O	895326511	YOROORSXBULVHD-UKRRQHHQSA-N	265.353	1.272	10	20	CDCD	
CS[C@H](CO)[C@@H](C)NCc1ccc(N(C)C)cc1	219057632	JWVBYFWIJHJNMB-BXUZGUMPSA-N	268.426	1.955	10	20	CDCD	
COc1cccc(O)c1CN1CC(N2CCCC2=O)C1	897786052	HSLOSRFZYGXJDL-UHFFFAOYSA-N	276.336	1.207	10	20	CDCD	
COc1cc(O)c(CNC[C@H]2CCN2C)cc1OC	896594317	IESKDDBSIDBLTQ-LLVKDONJSA-N	266.341	1.203	10	20	CDCD	
CC[C@H](N)C(=O)NCc1ccc(N(CC)CC)cc1	83460763	NQBUXEAUJSYXEJ-AWEZNQCLSA-N	263.385	1.886	10	20	CDCD	
COc1cccc(O)c1CN(C)[C@@H](C)CS(C)(=O)=O	769416631	JYMPIAIOLJPDAM-JTQLQIEISA-N	287.381	1.266	10	20	CDCD	
O=C(O)C[C@H](NCc1ccc2c(c1)CCO2)C1CC1	1324575265	MDLVUBNTUPKNTP-ZDUSSCGKSA-N	261.321	1.964	10	20	CDCD	
C[C@H](NCCOCCN(C)C)c1cc(F)ccc1O	219319573	VXVSJQSHUDNPCF-NSHDSACASA-N	270.348	1.760	10	20	CDCD	
CC(=O)c1c[nH]ccc1=NC(=O)Cc1ccc(N)cc1	1575045461	LHEQIGWOHCIDKW-UHFFFAOYSA-N	269.304	1.470	10	20	CDCD	
CC[C@@](COC)(NCc1ccc(OC)c(C)c1)C(=O)O	1595200237	WALWCKMKJSXVCV-HNNXBMFYSA-N	281.352	1.973	10	20	CDCD	
Nc1ccc(CCNC(=O)[C@H]2CCc3cn[nH]c3C2)cc1	152489637	CRMWOJJWTWACDT-LBPRGKRZSA-N	284.363	1.456	10	20	CDCD	
Cn1cnnc1CNCc1ccc2c(c1)CCCO2	921525947	BVBBUZZEKYBETM-UHFFFAOYSA-N	258.325	1.430	10	20	CDCD	
CC[C@H](NCC(=O)NC(C)C)c1ccccc1O	36781519	LTLYNFMNPCXMHQ-LBPRGKRZSA-N	250.342	1.958	10	20	CDCD	
CNC(=O)C[C@H](C)N[C@@H](C)c1cc(OC)ccc1O	323023548	JYROOYWIVXOYGO-UWVGGRQHSA-N	266.341	1.576	10	20	CDCD	
O[C@@H]1COC[C@H]1NCc1ccc(N2CCCC2)cc1	323161302	JBQDXXNVYSHKLQ-HUUCEWRRSA-N	262.353	1.136	10	20	CDCD	
CC(=O)c1cc(C(=O)NCc2ccccc2O)n(C)c1	701163406	DESMRXGNKNNCFB-UHFFFAOYSA-N	272.304	1.863	10	20	CDCD	
CCCNC(=O)[C@@H](C)N1CCCc2cc(CN)ccc21	700947810	SECBKOQHWGQLFR-GFCCVEGCSA-N	275.396	1.813	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)NC1CC(C(=O)O)C1	874421708	SLIRIUARMIGFSL-UHFFFAOYSA-N	278.308	1.397	10	20	CDCD	
Cc1ccccc1NC=C1C(=O)N(C)C(=O)N(C)C1=O	2566687	DZGPTXRSMVOKFU-UHFFFAOYSA-N	273.292	1.341	10	20	CDCD	
CCOc1cccc(CN2CCC(N)CC2)c1O	20521494	KUAVOOMEMZOPRA-UHFFFAOYSA-N	250.342	1.714	10	20	CDCD	
NC(=O)[C@H]1CCCCN1Cc1cc(F)ccc1O	179885880	JTFQFIPPGFGEDW-LLVKDONJSA-N	252.289	1.371	10	20	CDCD	
CN(CC(=O)NC1CCCC1)c1ccc2c(c1)OCO2	121334568	VGTUHYHXBDSWEC-UHFFFAOYSA-N	276.336	1.910	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NCC2(O)CCC2)cc1	304060694	OUQMBVOHVLUMJY-UHFFFAOYSA-N	277.368	1.467	10	20	CDCD	
Cc1cccc(CN2CCC(N3CCNC3=O)CC2)c1O	183388410	RLBKVWYAAPZXRX-UHFFFAOYSA-N	289.379	1.690	10	20	CDCD	
O=C(NOCC(F)(F)F)c1cccc(O)c1O	126610794	ONGTWAKVPPHLLY-UHFFFAOYSA-N	251.160	1.322	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@H]2C[C@H]2C(=O)O)cc1	37792153	RPBCRLMQTQCHFM-VXGBXAGGSA-N	262.309	1.090	10	20	CDCD	
CCN(CC(N)=O)Cc1cc(Cl)cc(C(C)=O)c1O	188464378	PVTPNYCSTOYHEZ-UHFFFAOYSA-N	284.743	1.555	10	20	CDCD	
CC[C@@H]1COCCN1C(=O)/C=C/c1ccc(O)c(O)c1	181091380	VHXJSCZQVASYQO-FVOPLDGLSA-N	277.320	1.748	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)[C@H]1CCNC(=O)C1	136243147	YNNXSRVDVFTBRH-LBPRGKRZSA-N	290.363	1.657	10	20	CDCD	
NC(=O)c1csc(CNCc2ccccc2O)c1	133948667	JENYMJPULNPJHA-UHFFFAOYSA-N	262.334	1.842	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NCCCCCO)cc1	192878787	YGYWVRKKZSWINE-UHFFFAOYSA-N	279.384	1.714	10	20	CDCD	
C[C@H]1OCC[C@]1(O)CNCc1cc(F)ccc1O	228094872	KLRHJCUOFNMSKH-RNCFNFMXSA-N	255.289	1.161	10	20	CDCD	
COc1cccc(CN2C[C@@H](C)NC[C@H]2C)c1O	86466840	ULOJABSOXFOLES-GHMZBOCLSA-N	250.342	1.583	10	20	CDCD	
CCC[C@H](N)C(=O)N1CCOc2cc(N(C)C)ccc21	236808031	ARULXXNSZWQLKP-LBPRGKRZSA-N	277.368	1.605	10	20	CDCD	
COc1ccc(N(C)CC(=O)NCC(C)C)cc1OC	140275006	FKJGUOQLYIQQOZ-UHFFFAOYSA-N	280.368	1.912	10	20	CDCD	
O=C(N[C@H]1CCO[C@@]2(CCOC2)C1)c1cccc(O)c1O	366150687	FFEUFDUUNZQUHU-BONVTDFDSA-N	293.319	1.166	10	20	CDCD	
Cc1cc(NS(=O)(=O)c2ccnn2C)c(C)c(C)c1O	274801724	ONOSOIGFFHXENG-UHFFFAOYSA-N	295.364	1.852	10	20	CDCD	
CC[C@H](C(=O)NCc1ccc(N(C)C)c(F)c1)C(=O)OC	276622677	OIEACUZBIOMOSD-LLVKDONJSA-N	296.342	1.707	10	20	CDCD	
COc1cccc(CN(CCO)C2CCC2)c1O	275978377	LWQYCOXMMSHPLM-UHFFFAOYSA-N	251.326	1.748	10	20	CDCD	
CCOc1ccc(O)c(CN(CCOC)CCN(C)C)c1	289467656	PCOOCWCAJGFXRZ-UHFFFAOYSA-N	296.411	1.801	10	20	CDCD	
CN(C(=O)/C=C/c1ccc(O)c(O)c1)[C@H]1CCCOC1	804286503	JZPGWNWXJYUUCE-PZBABLGHSA-N	277.320	1.748	10	20	CDCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)O	290580940	SPOWYGJMBODCSR-UHFFFAOYSA-N	251.282	1.606	10	20	CDCD	
O=C(NCC1(CCO)CCCC1)c1c(F)ccc(O)c1O	294990777	PFUZNQBOFKZVDB-UHFFFAOYSA-N	297.326	1.910	10	20	CDCD	
COc1cccc(CNC(=O)c2cc3n(n2)CCC3)c1O	295245844	MEZLSQIXMDTYFR-UHFFFAOYSA-N	287.319	1.474	10	20	CDCD	
Cc1nn(C)c(C)c1CNC(=O)c1c(F)ccc(O)c1O	295069462	UTHUZERPYJPADU-UHFFFAOYSA-N	293.298	1.517	10	20	CDCD	
Cc1cc(O)c(CN2C[C@@H](CO)O[C@H](C)C2)cc1Cl	825651422	IEZYJFVMLKVCPS-PWSUYJOCSA-N	285.771	1.936	10	20	CDCD	
Cn1cnc(/C=C\C(=O)N2CCCc3ccnc(O)c32)c1	825544835	OCJNFQCAZGDWEU-PLNGDYQASA-N	284.319	1.513	10	20	CDCD	
Cc1cc(O)c(CN[C@H]2CC(=O)N(C)C2)cc1Cl	825186089	VYKIRQLKPMKPHK-JTQLQIEISA-N	268.744	1.674	10	20	CDCD	
CN1CCCc2cc(CNC(=O)[C@H]3NCC3(C)C)ccc21	827914160	ZNJCHEKQHTVYGT-OAHLLOKOSA-N	287.407	1.683	10	20	CDCD	
CC(=O)N[C@](C)(C(=O)NCc1cc(C)ccc1O)C(C)C	827166332	HEERHHCZJQXQBQ-INIZCTEOSA-N	292.379	1.868	10	20	CDCD	
Cn1nc2c(c1C(=O)NCc1ccccc1O)CCC2	907055598	FJNGOJSLZBVLEP-UHFFFAOYSA-N	271.320	1.544	10	20	CDCD	
C[C@@H](NCCN1CCCOCC1)c1cc(F)ccc1O	903228924	TXFKBSDZIUMVFE-GFCCVEGCSA-N	282.359	1.904	10	20	CDCD	
CCOc1ccc(N(C)C[C@@H](O)Cn2cccn2)cc1	739922326	HHIUJBQQNDDXCH-CQSZACIVSA-N	275.352	1.779	10	20	CDCD	
O=C(O)[C@]1(NCc2cc(F)cc(F)c2O)CCOC1	904010013	OGXNWRFCNQLFKH-LBPRGKRZSA-N	273.235	1.004	10	20	CDCD	
C[C@H](O)C[C@H]1COCCN1C(=O)c1cc(O)cs1	832258601	DOLOJOISWQLQTQ-IUCAKERBSA-N	271.338	1.066	10	20	CDCD	
C[C@H](NC(=O)c1cc(O)cs1)[C@H](C)N1CCOCC1	732288368	QYVOEBKCQHQGBE-UWVGGRQHSA-N	284.381	1.293	10	20	CDCD	
CC(C)Cn1nccc1C(=O)NCc1ccc(O)cc1O	910945372	UCKZVKNAIDMYPU-UHFFFAOYSA-N	289.335	1.880	10	20	CDCD	
CCOC(=O)[C@H](C)[C@@H](C)NC(=O)Cc1ccc(N)cc1	843494745	WYIXDDSQMOHXAF-GHMZBOCLSA-N	278.352	1.515	10	20	CDCD	
CC[C@H](C)[C@@H](C)NC(=O)C(=O)Nc1ccc(N)cc1	841022237	QWXGSECNPGKLKB-VHSXEESVSA-N	263.341	1.758	10	20	CDCD	
COC(=O)[C@@H](CNC(=O)Cc1ccc(N)cc1)CC1CC1	846696361	FRVUQLWLMCZGNZ-CYBMUJFWSA-N	290.363	1.517	10	20	CDCD	
COc1cccc([C@@H](C)NC[C@@H]2CNC(=O)C2)c1O	846167848	FSDQRPUOXKTPQW-NXEZZACHSA-N	264.325	1.188	10	20	CDCD	
Nc1ccc(CCNC(=O)[C@H]2C[C@H]3CC[C@H]2NC3)cc1	841848125	WAPSRZKJUBIRMA-VHDGCEQUSA-N	273.380	1.316	10	20	CDCD	
CNCCN(C)C(=O)NCc1ccc2c(c1)CCCN2C	841758191	FOFPZZVGHJPEDX-UHFFFAOYSA-N	290.411	1.430	10	20	CDCD	
C[C@@H](N)CNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	841987314	MDWWZVLROJEONX-GFCCVEGCSA-N	290.411	1.774	10	20	CDCD	
CN1CCN(c2ccc(CNCCOCCF)cc2)CC1	853091695	NFLCXQZYCPEOGX-UHFFFAOYSA-N	295.402	1.514	10	20	CDCD	
C[C@H]1COC[C@@H]1NC(=O)NCc1cc(Cl)ccc1O	926021693	BCHBIHUDQJZJDK-KWQFWETISA-N	284.743	1.880	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H](CO)C[C@H]2CCCO2)c(O)c1O	923740710	JRDFEEYLIWXUAP-GHMZBOCLSA-N	295.335	1.066	10	20	CDCD	
Nc1ccc(NC(=O)C(=O)NCCCC2CCC2)cc1	850846992	XSYOXDGKLSLVKC-UHFFFAOYSA-N	275.352	1.904	10	20	CDCD	
COCCOCCN(C)c1ccc(OC)c(OC)c1	750820056	WGJXFWJBSUPZHW-UHFFFAOYSA-N	269.341	1.803	10	20	CDCD	
CC[C@H](C)NC(=O)CN(CC(=O)O)c1ccc(OC)cc1	853007109	PBVJMTLCMIHLJV-NSHDSACASA-N	294.351	1.501	10	20	CDCD	
O[C@H]1C[C@@H](CNCc2ccc(N3CCOCC3)c(F)c2)C1	858296037	JLBRVGYIXMWYIF-OKILXGFUSA-N	294.370	1.523	10	20	CDCD	
CN(C)c1ccc(OCCCS(C)(=O)=O)cc1	757703462	HQDVLIBYDDUQKT-UHFFFAOYSA-N	257.355	1.566	10	20	CDCD	
CC(C)C1(O)CN(C(=O)NCc2ccc(N(C)C)cc2)C1	766222867	NUIUWZOWCRUERO-UHFFFAOYSA-N	291.395	1.665	10	20	CDCD	
CC[C@H](CO)N1CCN(c2ccc(OC)cc2OC)CC1	931530734	OMGPRVUTZAEJET-CYBMUJFWSA-N	294.395	1.597	10	20	CDCD	
COC[C@@](C)(O)C(=O)NCc1c(O)ccc2c1CCCC2	769564330	VDYOWLWOLRJPBS-MRXNPFEDSA-N	293.363	1.285	10	20	CDCD	
C[C@]1(CO)CCCN1C(=O)/C=C\c1ccc(O)c(O)c1	760095253	LMLIHNSHYHFFQN-ZDTYVGOBSA-N	277.320	1.484	10	20	CDCD	
C[C@H](NC(=O)N[C@H](CO)C1CC1)c1ccc(N(C)C)cc1	773621624	CVBKSMCZTVWXAU-XHDPSFHLSA-N	291.395	1.884	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)CN1CCNCC1	876633788	XLEPOFJQZKUMAP-UHFFFAOYSA-N	291.395	1.036	10	20	CDCD	
CCC(=O)N[C@H](C)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	773024568	LUVZEOXBLMQLGQ-VXGBXAGGSA-N	291.395	1.845	10	20	CDCD	
C[C@@H]1C[C@@H](NC(=O)NCc2ccc(N(C)C)cc2)C(=O)O1	883127345	SCGKXTXXCQHLJR-ZWNOBZJWSA-N	291.351	1.256	10	20	CDCD	
CC[S@@](=O)CCN[C@H](C)c1c(O)cccc1F	886526139	FVPBBUPIZSWRNA-VVVCHXIZSA-N	259.346	1.951	10	20	CDCD	
C[C@H]1C[C@H](NC(=O)NCc2ccc(N)cc2)CCN1	1120630642	CCBLTFIQGNYQCG-GXFFZTMASA-N	262.357	1.209	10	20	CDCD	
COc1ccc(CN(CCO)CC2CC2)c(O)c1OC	891806391	AFJIPMZYCYFPEW-UHFFFAOYSA-N	281.352	1.614	10	20	CDCD	
CN1CCN(c2ccc(CNC(C)(C)C(=O)O)cc2)CC1	789897934	QEWXNMYBYWSCOU-UHFFFAOYSA-N	291.395	1.391	10	20	CDCD	
C[C@@H]1C[C@H](O)CN1C(=O)NCc1ccc(N(C)C)cc1	788082610	JDACWAIKOTUAHU-RISCZKNCSA-N	277.368	1.417	10	20	CDCD	
CONC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	894278959	ZRQFEINWTWZBLL-ZDUSSCGKSA-N	280.372	1.216	10	20	CDCD	
O=S(=O)(C[C@@H]1CCCCO1)Nc1ccc(O)cc1F	758169078	MIRIPKACCUDSGG-JTQLQIEISA-N	289.328	1.842	10	20	CDCD	
COCC[C@H](C)S(=O)(=O)NCc1cc(C)ccc1O	1328853879	ZDXXKOPWQPDRFE-NSHDSACASA-N	287.381	1.545	10	20	CDCD	
CCn1c(CCO)nnc1N(C)Cc1ccccc1O	1339274590	NLNZYTYGCVXKLI-UHFFFAOYSA-N	276.340	1.175	10	20	CDCD	
Nc1ccc(CNC(=O)NC[C@H]2CCCOC2)cc1	1336225984	VBYHHAFZGNDTAY-GFCCVEGCSA-N	263.341	1.495	10	20	CDCD	
Nc1ccc(CNC(=O)N[C@H]2CC[C@@H](CO)CC2)cc1	1335724034	DQQHSAZINHBEDW-XBXGTLAGSA-N	277.368	1.619	10	20	CDCD	
C[C@H]1C[C@@H](NC(=O)NCc2ccc(N)cc2)CN1C1CC1	1336844391	GMMVKARBXUKRGN-SMDDNHRTSA-N	288.395	1.693	10	20	CDCD	
CN1CCN(c2ccc(CN3CC[C@H](N)C3)cc2F)CC1	1332339094	JSODVDCJGBGDIP-AWEZNQCLSA-N	292.402	1.111	10	20	CDCD	
C[C@H](CNC(=O)NCc1ccc(N)cc1)Cn1cccn1	1336772384	MJWJIGPLABPABC-GFCCVEGCSA-N	287.367	1.601	10	20	CDCD	
CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)NCc1ccc(N)cc1	1353351772	OQJBSBXAGRAGIW-MJBXVCDLSA-N	289.379	1.882	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@H](C)CC(=O)O)c1	1607811525	YCXMTAPNDCOCOH-SECBINFHSA-N	251.282	1.428	10	20	CDCD	
O=C(NCc1cccc(Cl)c1O)[C@H]1CC[C@H]1C(=O)O	1601541259	JVEOHKLJMZQLPU-DTWKUNHWSA-N	283.711	1.773	10	20	CDCD	
O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(C(=O)O)co1	1610885126	IZRJKDYYZRLJFN-GHXNOFRVSA-N	298.254	1.439	10	20	CDCD	
CCC[C@@H](NCc1ccc(N2CC[C@@H](O)C2)cc1)C(=O)O	1776760169	NCMLLXZEZBNVHH-HUUCEWRRSA-N	292.379	1.601	10	20	CDCD	
CN(CC(N)=O)Cc1ccc(N2CCCCC2)cc1	15571543	AJFMRFIVABBOOQ-UHFFFAOYSA-N	261.369	1.594	10	20	CDCD	
Cc1ccc(O)c(CN2CCC(CC(N)=O)CC2)c1	159823202	JTJUWGJCRBPBTR-UHFFFAOYSA-N	262.353	1.788	10	20	CDCD	
CCn1cnc(C(=O)N(C)Cc2ccccc2O)c1	830141355	RHOMBQVZJVUPMM-UHFFFAOYSA-N	259.309	1.881	10	20	CDCD	
Cc1cccc(O)c1CNCC(C)(C)OCCO	877536286	YTHDFWKDGZHDNW-UHFFFAOYSA-N	253.342	1.578	10	20	CDCD	
CCOc1cccc(CN(C)CCOCCOC)c1O	290232814	TUUGYNKBQWBCPY-UHFFFAOYSA-N	283.368	1.886	10	20	CDCD	
CO[C@@H]1COC[C@H]1NCc1ccc(N(C)C)cc1	830102164	FOGLLQZQSMLDKL-ZIAGYGMSSA-N	250.342	1.256	10	20	CDCD	
COc1cccc(CN2C[C@H]3[C@@H](N)CCC[C@H]3C2)c1O	130568744	MKWMTDCGXFYMIS-YUTCNCBUSA-N	276.380	1.960	10	20	CDCD	
CO[C@H](C)[C@H](NCc1ccc2c(c1)CCO2)C(=O)O	1343443465	MXSJXXYUVUQOCE-RNCFNFMXSA-N	265.309	1.199	10	20	CDCD	
Cc1cc(C(=O)NC[C@H]2CCCN2)c(C)n1-c1ccccn1	178766771	HBNVWLLSDGRSMT-CQSZACIVSA-N	298.390	1.971	10	20	CDCD	
COc1ccc(N2CCN(C[C@@H](O)CSC)CC2)cc1	187730164	PPWCZOATWKSGFL-CQSZACIVSA-N	296.436	1.541	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@@H]1CCCO1	186437992	BSNIZMNRQDHPFQ-JQWIXIFHSA-N	279.336	1.714	10	20	CDCD	
C/C=C/C[C@H](CO)NC(=O)/C=C/c1ccc(O)c(O)c1	187241786	NSZPQDZNVVCUDW-KZIOCQBMSA-N	277.320	1.554	10	20	CDCD	
C[C@H](NCCCOCCO)c1ccc(F)cc1O	186513956	AQLSKKDSDTZQPP-JTQLQIEISA-N	257.305	1.581	10	20	CDCD	
C[C@H](NCCOCCO)c1cc2c(cc1O)CCCC2	184886880	ZYFAFEAJRJCSNJ-LBPRGKRZSA-N	279.380	1.931	10	20	CDCD	
CN(C)c1ccc(CNC(=O)Cc2cnn(C)c2)cc1	194767988	CWCONUKHHWZNEG-UHFFFAOYSA-N	272.352	1.345	10	20	CDCD	
CCOc1ccc(O)c(CN(C)[C@@H](C)C[S@](C)=O)c1	130975422	XYPBBLQPCOHUKJ-JEOXALJRSA-N	285.409	1.990	10	20	CDCD	
CCCn1[nH]cc/c1=N\C(=O)CSc1nccs1	193954178	GTKYYBFZVJOSFF-NTEUORMPSA-N	282.394	1.902	10	20	CDCD	
CC(C)(N)CC(=O)NCCCSc1nccs1	236845090	FVMZHFBIWZGOCK-UHFFFAOYSA-N	273.427	1.869	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CCNC(=O)C[C@@H]2C)c1O	378326733	OZUPTRSIYOSPCR-VIFPVBQESA-N	294.326	1.444	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2C[C@H](O)C(C)(C)C2)c1O	280560607	UXXWICAPJDXQAT-NSHDSACASA-N	296.323	1.512	10	20	CDCD	
Cc1cc(CN2CCCC[C@@H]2C(N)=O)ccc1N(C)C	293577285	SYDNLCUCDIUKRR-OAHLLOKOSA-N	275.396	1.901	10	20	CDCD	
C[C@H](NC1CC1)C(=O)NCc1ccc(N(C)C)c(F)c1	295198262	OTXGWLCFTSCROQ-JTQLQIEISA-N	279.359	1.648	10	20	CDCD	
COC(=O)c1cnc(SCc2cnn(C)c2)s1	295339924	PTDADIZWVMEIOA-UHFFFAOYSA-N	269.351	1.956	10	20	CDCD	
COc1cc(O)c(CN[C@]2(C)CCOC2=O)cc1OC	290365083	ADFXVWUIWKFGNU-CQSZACIVSA-N	281.308	1.205	10	20	CDCD	
C[C@H](NCCN1CCNCC1)c1ccc(F)cc1O	817945048	SCOLEXYJONDUJK-NSHDSACASA-N	267.348	1.087	10	20	CDCD	
COc1ccncc1CNC(=O)c1ccc(C)c(O)c1O	817088036	SUGKHQBEPNNJRI-UHFFFAOYSA-N	288.303	1.740	10	20	CDCD	
COc1ccc(F)cc1C=C1C(=O)N(C)C(=O)N(C)C1=O	812240380	NBHZBZWWUXDBHX-UHFFFAOYSA-N	292.266	1.268	10	20	CDCD	
C[C@@H]1C[C@H](NC[C@H]2CNCCO2)c2c(O)ccc(F)c21	817984167	VQYLDTYLKMEVSN-FOGDFJRCSA-N	280.343	1.658	10	20	CDCD	
C[C@@H](CN)CN[C@H](C)c1ccc(N2CCOCC2)c(F)c1	817962443	MHYMKMWVTWFNDD-QWHCGFSZSA-N	295.402	1.908	10	20	CDCD	
Oc1ccccc1CNCc1ccc(-c2nn[nH]n2)s1	823731991	IADRWYKBMJXUBY-UHFFFAOYSA-N	287.348	1.924	10	20	CDCD	
CCN(CC)c1ccc(CN2CC(=O)N[C@H](C)C2)cc1F	824908741	CPWXQTJFIBQMDD-GFCCVEGCSA-N	293.386	1.992	10	20	CDCD	
Cc1cc(O)c(CN2CCO[C@@H]3COCC[C@@H]32)cc1C	902626240	SHRMTNBIIRZNNW-GOEBONIOSA-N	277.364	1.999	10	20	CDCD	
C[C@@H](NC(=O)CCN1CCCC1=O)c1ccccc1O	827930825	ROLYZOACHUKNCF-LLVKDONJSA-N	276.336	1.582	10	20	CDCD	
C/C(=C/C(=O)N1CCCc2n[nH]cc21)c1cnccn1	831339810	WWTQQABQQJIMDS-YFHOEESVSA-N	269.308	1.582	10	20	CDCD	
O=C(O)c1ccc(C(=O)NCc2ccc(O)c(O)c2)s1	833311451	QKQWTHGLAIEBBH-UHFFFAOYSA-N	293.300	1.788	10	20	CDCD	
COc1ccc(CNC(=O)c2c(C)cnn2C)c(O)c1	839748690	VWAGFJPJTJJQFJ-UHFFFAOYSA-N	275.308	1.373	10	20	CDCD	
CN(C)c1ccc(CN(C(=O)Cn2cncn2)C2CC2)cc1	914484670	LJBHMAQDDUULAM-UHFFFAOYSA-N	299.378	1.535	10	20	CDCD	
CC(C)OCC(=O)N(CC(=O)O)Cc1ccccc1O	911486966	RHDQAMGTTKHANG-UHFFFAOYSA-N	281.308	1.230	10	20	CDCD	
CSC[C@](C)(O)CNC(=O)c1cc(O)cs1	743716097	WPNZFZAHRSSFAM-SNVBAGLBSA-N	261.368	1.298	10	20	CDCD	
C[C@H](N)[C@H]1CCN(Cc2ccc(N3CCOCC3)cc2)C1	843058708	WVENNANUNGTFAJ-HOCLYGCPSA-N	289.423	1.692	10	20	CDCD	
CN(CCCCO)c1ccc(/C=C/C(=O)O)cc1[N+](=O)[O-]	844211619	DNJVJEWJDSFQDL-FNORWQNLSA-N	294.307	1.901	10	20	CDCD	
C[C@H](CN)N(C)C(=O)NCc1ccc(N2CC=CC2)cc1	841831938	HVNYJYBWCBLNQE-CYBMUJFWSA-N	288.395	1.551	10	20	CDCD	
O=C(NCCCSc1nccs1)[C@@H]1[C@H]2CNC[C@H]21	843439562	KRKKCWIFSRELHK-MYJAWHEDSA-N	283.422	1.207	10	20	CDCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(C)(C)O	840554609	IIXSVPINTMFGEK-LBPRGKRZSA-N	278.396	1.879	10	20	CDCD	
CC[C@H]1CN(C)CCN1Cc1cc2c(cc1O)OC[C@H]2O	840092920	YZPVLGIVBPNFOX-SWLSCSKDSA-N	292.379	1.344	10	20	CDCD	
CCOC[C@@H](O)CN(C)CCN(C)c1ccc(OC)cc1	844401820	RTWBEMNHYPXTGP-HNNXBMFYSA-N	296.411	1.461	10	20	CDCD	
COC[C@@H](OC)c1nc(Cc2ccc(N)cc2)no1	854133724	HZVRLCLTJNQSID-LLVKDONJSA-N	263.297	1.577	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)NCC[C@H](C)N)c1	857112425	CWJPLHLHDLBPBR-UWVGGRQHSA-N	281.356	1.498	10	20	CDCD	
CC(C)(C)CNC(=O)COC(=O)c1cccc(O)c1O	859641656	AEQWUOIBOPPOFY-UHFFFAOYSA-N	281.308	1.417	10	20	CDCD	
COC[C@H](O)CCN[C@H](C)c1cc(F)cc(F)c1O	756777037	GAPWWPMTFYPQPD-PSASIEDQSA-N	275.295	1.718	10	20	CDCD	
CN(C[C@H]1CC1(C)C)C(=O)C(=O)Nc1ccc(N)cc1	853330407	MXLCUAWBULMPQY-SNVBAGLBSA-N	275.352	1.712	10	20	CDCD	
C[C@@H](NC(=O)NCCO[C@H]1CCOC1)c1ccccc1O	927527671	QOSIMWYHCQSENK-NEPJUHHUSA-N	294.351	1.558	10	20	CDCD	
CCCNC(=O)CN[C@@H](C)c1cc(F)cc(F)c1O	756355037	FYEQOMAISVAKPK-QMMMGPOBSA-N	272.295	1.847	10	20	CDCD	
C[C@H](N[C@H](C)C(=O)N(C)C)c1cc(F)cc(F)c1O	756740412	VRBOIMBYSCLNBB-JGVFFNPUSA-N	272.295	1.798	10	20	CDCD	
COc1cccc(O)c1CN1CCC[C@@](C)(O)C1	769468683	OBJFUSIUXKEOAU-CQSZACIVSA-N	251.326	1.748	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)NC[C@H](O)c1ccco1	779530926	IIHWSAXLCHQNOI-AGLBCWCQSA-N	289.287	1.554	10	20	CDCD	
CC(=O)N(C)CC(=O)N[C@@H](C)c1ccc(N(C)C)cc1	773008861	HSQWQEUDVXIDQK-NSHDSACASA-N	277.368	1.408	10	20	CDCD	
CO[C@H]1CCN(C(=O)c2cc(O)cs2)C[C@@H]1C	1118704300	AKTGCKVQFGQING-WPRPVWTQSA-N	255.339	1.951	10	20	CDCD	
CCOC(=O)C1=NN(c2ccc(OCC)cc2)C(=O)[C@@H]1C	871943509	KRYLRFZIMLELFO-SNVBAGLBSA-N	290.319	1.987	10	20	CDCD	
COc1ccc(O)c([C@H](C)NS(=O)(=O)C2CCC2)c1	881920210	YWGKOGXUGXKPSU-VIFPVBQESA-N	285.365	1.934	10	20	CDCD	
COc1ccc(CN[C@@H](CO)C2CC2)c(O)c1OC	892966695	XXYVQGUTBVZKMI-NSHDSACASA-N	267.325	1.270	10	20	CDCD	
COc1cc(C)cc(CN[C@@]2(C)CCOC2)c1O	894361572	JVQINUBOBNLQJK-AWEZNQCLSA-N	251.326	1.978	10	20	CDCD	
COc1cc(C)cc(CN[C@@H](C)[C@@H]2CN(C)CCO2)c1O	894345978	NYLHMGAQLDOSGS-WFASDCNBSA-N	294.395	1.518	10	20	CDCD	
CCN1CCC[C@@H](NCc2ccc3c(c2)CCO3)C1=O	722357190	VSHYIZFWTLGMGA-CQSZACIVSA-N	274.364	1.722	10	20	CDCD	
Cc1nn[nH]c1C(=O)N[C@H](C)c1ccc(N(C)C)cc1	790038129	YFYXNXVEYVEYEH-SECBINFHSA-N	273.340	1.670	10	20	CDCD	
COc1cccc(CN2C[C@H](C)N(C)C[C@@H]2C)c1O	775984588	GZFWCEUIBZBRGC-RYUDHWBXSA-N	264.369	1.925	10	20	CDCD	
O=C(O)[C@H]1C[C@H](NCc2cc([N+](=O)[O-])ccc2O)C1	1327067759	VLFUSILDJMIGCE-XWEPSHTISA-N	266.253	1.253	10	20	CDCD	
CC1CC(NC(=O)C(=O)NCc2ccc(N(C)C)cc2)C1	1327320618	VSNJMONIKMKSTB-UHFFFAOYSA-N	289.379	1.284	10	20	CDCD	
Cc1ccc(C(=O)NCc2ccccc2O)c(=O)[nH]1	133751695	QJLAYYVGGLMBTE-UHFFFAOYSA-N	258.277	1.319	10	20	CDCD	
C[C@@H](O)CCN(C)C(=O)NCc1ccc(N)cc1	1337069805	CARZNFUXUNKRQQ-SNVBAGLBSA-N	251.330	1.181	10	20	CDCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2NC[C@@H]1CNCCO1	1331835577	RIBGSHBEUZESPV-FRRDWIJNSA-N	276.380	1.827	10	20	CDCD	
COc1ccc(O)c(CN[C@@H](C)c2noc(C)n2)c1	1261186506	IKHGRYQUBXJCHT-QMMMGPOBSA-N	263.297	1.943	10	20	CDCD	
C[C@H]1CC[C@H](NC(=O)C(=O)NCCc2ccc(N)cc2)C1	1349804452	ZDSRAZDZVDSDKN-FZMZJTMJSA-N	289.379	1.232	10	20	CDCD	
CCN(C[C@@H]1CCOC1)C(=O)NCc1ccc(N)cc1	1346738259	FNELINOWZQDXOW-ZDUSSCGKSA-N	277.368	1.837	10	20	CDCD	
COC[C@](C)(CC(=O)OC)NCc1ccc(N)cc1	1345159511	JHLJQINFFRFBGN-AWEZNQCLSA-N	266.341	1.327	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)NC1(C(=O)O)CCC1	1601238831	OJFSMEKBXTXKLL-HYXAFXHYSA-N	277.276	1.235	10	20	CDCD	
O=C(O)c1cnc(SC[C@@H]2CCC3(COC3)O2)s1	1608978821	UAHXFBWDEINJCA-ZETCQYMHSA-N	287.362	1.881	10	20	CDCD	
COc1cc(C)c(CN2CC[C@H](CCN)C2)c(O)c1	1579145342	YGDBUZCXWYNRFK-LBPRGKRZSA-N	264.369	1.880	10	20	CDCD	
COc1ccc(CN2CC[C@H](C(=O)O)C2)c(O)c1OC	1599563726	PEQQGNTVGJKRKW-JTQLQIEISA-N	281.308	1.316	10	20	CDCD	
CC(C)(CC(=O)O)NCc1ccc(N2CC[C@@H](O)C2)cc1	1776291404	NTQPAZJSTDQTAW-CQSZACIVSA-N	292.379	1.601	10	20	CDCD	
COc1ccc(O)c(CNC(=O)CC2(O)CCCC2)c1	155986318	XQIKDNXSBXUXJK-UHFFFAOYSA-N	279.336	1.712	10	20	CDCD	
COCC[C@H](CO)NCc1ccc2c(c1)CCCO2	922096851	MKWGEJBNCWWNMR-CQSZACIVSA-N	265.353	1.499	10	20	CDCD	
CCn1nncc1CNC(=O)Nc1ccc(N)cc1	859696279	HWSWVKQAUMMZIQ-UHFFFAOYSA-N	260.301	1.202	10	20	CDCD	
CCOC(=O)C1=NN(c2ccc(OC)cc2)C(=O)[C@H]1C	871946412	BPVSIGMVUDBESW-VIFPVBQESA-N	276.292	1.597	10	20	CDCD	
Cc1cccc(O)c1CN1CC[C@@H](CS(C)(=O)=O)C1	877547069	QEXNSQXUYKCRKX-GFCCVEGCSA-N	283.393	1.567	10	20	CDCD	
c1cc(N2CCOCC2)ccc1CNC1CCOCC1	36308643	NKCZEPCPEPPEDU-UHFFFAOYSA-N	276.380	1.792	10	20	CDCD	
CO[C@@H](CNC(=O)Cc1ccc(N)cc1)C(C)C	262464133	WXWZWHSKEFKMKE-ZDUSSCGKSA-N	250.342	1.599	10	20	CDCD	
COc1ccc(CN[C@H](C)c2nncn2C)cc1C	37293813	BJKOBSPLMUEIBA-LLVKDONJSA-N	260.341	1.983	10	20	CDCD	
COc1ccc(O)c(CN[C@H]2CCS(=O)(=O)[C@H]2C)c1	293814179	FJPIMNCESKPBHD-CABZTGNLSA-N	285.365	1.066	10	20	CDCD	
CNC(=O)C[C@H](C)NCc1cccc(Cl)c1O	323066258	VGMFKIWEDLIGNX-QMMMGPOBSA-N	256.733	1.660	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@H]1C[C@@H](F)CN1	707589854	KEUDOIVUABEAIE-GHMZBOCLSA-N	252.289	1.051	10	20	CDCD	
C[C@@H]1CSC[C@@H]1NC(=O)c1cccc(O)c1O	397944999	SHAWOOHVMQAYJQ-APPZFPTMSA-N	253.323	1.579	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1cnccn1	173206064	CDLXQSBODAGROI-UHFFFAOYSA-N	284.319	1.582	10	20	CDCD	
Cc1ccc(C(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)c(O)c1O	179514876	VVZDLRSSQIECTI-AAEUAGOBSA-N	292.379	1.818	10	20	CDCD	
Nc1ccc(CNC(=O)N2C[C@@H]3[C@H]4C=C[C@@H](O4)[C@H]3C2)cc1	1346738611	IKRCDHCZORHGCD-BYNSBNAKSA-N	285.347	1.364	10	20	CDCD	
CC[C@H](C)NC(=O)[C@H](C)NC(=O)c1ccc(C)c(O)c1O	177677092	OMZHSFGPVCHSAH-UWVGGRQHSA-N	294.351	1.439	10	20	CDCD	
O=C(NOCc1cccnc1)c1cccc(O)c1O	185878951	MDAITOLUSMAFLD-UHFFFAOYSA-N	260.249	1.354	10	20	CDCD	
Cc1ccc(O)c([C@H](C)NCCNC(=O)c2ccn[nH]2)c1	186510997	NCJAQSSMIATUNA-NSHDSACASA-N	288.351	1.504	10	20	CDCD	
COc1cccc(CNCc2cccc(C(N)=O)c2)c1O	36902866	CGZHJMYIGVEMLY-UHFFFAOYSA-N	286.331	1.790	10	20	CDCD	
CC(C)CN1CC(=O)N[C@@H]1c1ccc(N(C)C)cc1	77474155	IDECZFAAMHUWTE-HNNXBMFYSA-N	261.369	1.839	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)NC[C@H](O)c1ccccc1	211228270	RVVYAMZDPNZUCJ-GQSKFBFOSA-N	299.326	1.961	10	20	CDCD	
Cc1ccc(C(=O)N[C@H](CO)CC(C)C)c(O)c1O	182901541	WMGAUKXIVUDEEF-JTQLQIEISA-N	267.325	1.543	10	20	CDCD	
C[C@@H](N)[C@@H](C)C(=O)NCc1ccc(N(C)C)c(F)c1	192104475	QVRAKNGTBIMOJF-NXEZZACHSA-N	267.348	1.491	10	20	CDCD	
CC(C)c1nnc(CNC(=O)c2cccc(O)c2O)n1C	193154207	SIKOEXXTOBQPMK-UHFFFAOYSA-N	290.323	1.280	10	20	CDCD	
COc1ccc(O)c(CN2C[C@@H](C)NC[C@@H]2C)c1	86467089	FDBYPWYZWMKETG-MNOVXSKESA-N	250.342	1.583	10	20	CDCD	
COc1cccc(CN(CC(=O)O)C(C)C)c1O	86739920	YANBRNXFCPNLKA-UHFFFAOYSA-N	253.298	1.696	10	20	CDCD	
O=C(O)CCS(=O)(=O)Nc1ccc(O)c(Cl)c1	232389409	BYXRLZXZSGSBBD-UHFFFAOYSA-N	279.701	1.262	10	20	CDCD	
Nc1ccc(NC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)cc1	237994225	YJBVMEWFFIXSEO-GFCCVEGCSA-N	287.363	1.856	10	20	CDCD	
COC(=O)N[C@@H](C)C(=O)NCc1ccc(N(C)C)c(F)c1	270458369	IADJYLADKGORAM-VIFPVBQESA-N	297.330	1.252	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)NCCn2ccnc2)c1	273438420	XQEACAPNBPLGSH-LLVKDONJSA-N	289.335	1.726	10	20	CDCD	
Cc1ccc(C(=O)N(C)C[C@@H]2CCOC2)c(O)c1O	272727761	JGQTZPIIOCZWJY-JTQLQIEISA-N	265.309	1.515	10	20	CDCD	
C[C@H](NCCN(C)C)c1cc([N+](=O)[O-])ccc1O	287179112	VDSCLKQULCZAMZ-VIFPVBQESA-N	253.302	1.513	10	20	CDCD	
CC(C)[C@@](C)(NC(=O)/C=C/c1ccc(O)c(O)c1)C(N)=O	287718238	FRSSZUCYSYQQLM-KEDPEKRHSA-N	292.335	1.127	10	20	CDCD	
O=C(C[C@H]1CCCC(=O)N1)NCc1ccccc1O	289719834	OIUOAZLVFPWYKF-LLVKDONJSA-N	262.309	1.067	10	20	CDCD	
CC[C@H](N[C@@H](CO)CCOC)c1ccccc1O	281711814	UAZLHSFMKHKGLD-YPMHNXCESA-N	253.342	1.830	10	20	CDCD	
CC(=O)C(=O)CSc1n[nH]c(-c2ccccc2O)n1	808017775	CZDAMLRHHHTWJR-UHFFFAOYSA-N	277.305	1.428	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NCCCc2cnn(C)n2)c1	293032379	ADMXERQCVHXTAJ-LLVKDONJSA-N	290.367	1.813	10	20	CDCD	
C[C@@H]1CSC[C@H]1NC(=O)/C=C/c1ccc(O)c(O)c1	804501336	BLXZGUYMQLAXFB-DREQKGALSA-N	279.361	1.979	10	20	CDCD	
CC(=O)C(=O)COC(=O)COc1ccccc1C	808489713	XYBFBKHUPWSBKP-UHFFFAOYSA-N	250.250	1.075	10	20	CDCD	
Cc1cc(C)c([C@H](C)NC[C@@H]2CN(C)CCN2C)c(O)c1	293885083	VPQHRFMSVLOQLZ-LSDHHAIUSA-N	291.439	1.905	10	20	CDCD	
C[C@@H]1C[C@H](NC[C@@H](N)c2ccc(N(C)C)cc2)CCN1C	817942814	RBLOPVPVWIDRSI-FRFSOERESA-N	290.455	1.825	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)C[C@@H]1CCOC1	819755994	PFWBQZGVHUHRAC-NSHDSACASA-N	284.352	1.921	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NCC2=CCNCC2)c1	817968649	VDTJLGCWHDZUIY-LLVKDONJSA-N	262.353	1.971	10	20	CDCD	
CC[C@H](C)OC(=O)c1cc(NS(C)(=O)=O)ccc1O	738629359	KKFUHMZHOZECFR-QMMMGPOBSA-N	287.337	1.719	10	20	CDCD	
COc1cc(O)c(CN2C[C@@H](C)[C@@H](C(=O)O)C2)cc1OC	833729343	LIJKNYWZOHNAJT-KOLCDFICSA-N	295.335	1.562	10	20	CDCD	
CCCNC(=O)CCCC(=O)NCc1ccc(O)cc1O	910953413	AXBZNSQKGZHTGP-UHFFFAOYSA-N	294.351	1.411	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)C1(F)CCOCC1	910955928	IMINLMZPYUSHLC-UHFFFAOYSA-N	269.272	1.233	10	20	CDCD	
NCC[C@@H]1CCCN(C(=O)NCCc2ccc(N)cc2)C1	841955632	ISSDKEOJKLZCDG-AWEZNQCLSA-N	290.411	1.582	10	20	CDCD	
CCOc1ccc(N(CC)Cc2nnnn2C)cc1	749908479	YPRYBABYYZSGRJ-UHFFFAOYSA-N	261.329	1.635	10	20	CDCD	
Cc1noc(CN(C)Cc2cc3c(cc2O)OC[C@@H]3O)n1	848506127	UNENAPQUMFBHKX-LBPRGKRZSA-N	291.307	1.141	10	20	CDCD	
CCc1cccc(CN2CCCC[C@H]2C(N)=O)c1O	848881590	YRIMZBHARAHRBT-ZDUSSCGKSA-N	262.353	1.794	10	20	CDCD	
COC(=O)[C@@H]1CN(Cc2cc(C)cc(C)c2O)C[C@H](C)O1	844740694	JEXWMMHAVZALMC-JSGCOSHPSA-N	293.363	1.771	10	20	CDCD	
COc1cccc(CNC(=O)NC[C@H](N)C(C)C)c1O	841944748	QCGWACCWDOQVRF-NSHDSACASA-N	281.356	1.183	10	20	CDCD	
COc1ccc(O)c(CN2[C@@H](C)CC[C@H]2C(=O)O)c1	844935138	PMAFTGMQQQEIGW-CABZTGNLSA-N	265.309	1.838	10	20	CDCD	
c1cc(N2CCCCC2)ccc1CNC[C@H]1CNCCO1	841099276	ODUWSGWPXDGWDX-QGZVFWFLSA-N	289.423	1.755	10	20	CDCD	
COc1cccc([C@@H](C)NCCCOCCO)c1O	846165571	OVWDPIVCAHRLSN-LLVKDONJSA-N	269.341	1.450	10	20	CDCD	
CC(C)C[C@H](CO)NCc1cc2c(cc1O)OCO2	42880393	QBOROEOTEKLUMR-LLVKDONJSA-N	267.325	1.618	10	20	CDCD	
O=C(NCc1cc(Cl)ccc1O)[C@@H]1C[C@H]1[N+](=O)[O-]	846475722	GSIXPLHOHDKSBN-RKDXNWHRSA-N	270.672	1.327	10	20	CDCD	
COc1cc(O)c(CN2C[C@@H](N)[C@H](C)C2)cc1OC	843120502	NUOMIPIUVMMDON-MWLCHTKSSA-N	266.341	1.188	10	20	CDCD	
CCn1nc(C)c(C(=O)NCc2cc(Cl)ccc2O)n1	846477555	SGVGTNIPLFJRTR-UHFFFAOYSA-N	294.742	1.895	10	20	CDCD	
O=C(NCc1ccc(N2CCC(O)CC2)cc1)OCCF	859228887	FLUCFZCPEPUJDC-UHFFFAOYSA-N	296.342	1.843	10	20	CDCD	
CN(C)c1cc(F)c(CNC[C@H](O)C2CC2)cc1F	858136144	LKUNSYXAJJSYTK-AWEZNQCLSA-N	270.323	1.891	10	20	CDCD	
CCCCNC(=O)NC[C@H](N)c1ccc(N(C)C)cc1	850587327	WNXAXKLXECRNDY-AWEZNQCLSA-N	278.400	1.852	10	20	CDCD	
CC[C@H](CCO)N[C@H](C)c1cc(C(=O)OC)ccc1O	756604291	MLEGRBCZAMLGSD-ZYHUDNBSSA-N	281.352	1.990	10	20	CDCD	
Cc1cccc(O)c1CNC[C@H](CO)[C@H]1CCOC1	877493479	BWHTWJGNXPRWLI-QWHCGFSZSA-N	265.353	1.435	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1C(=O)N[C@@H](C)C1=O	777654988	BWQJKSXHFHGDEL-JTQLQIEISA-N	261.325	1.501	10	20	CDCD	
CCOc1ccc(CN2C[C@H]3CNC[C@@H]3C2)c(O)c1	770395730	UKXPYMDENSAIFY-CHWSQXEVSA-N	262.353	1.442	10	20	CDCD	
COc1cccc(CNC(=O)[C@@](C)(O)C(C)C)c1O	771419607	YSLWNDNQXWNRQU-AWEZNQCLSA-N	267.325	1.424	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NCCO[C@H]1CCOC1	885725197	UFLWBZPTMLBIFH-KMOQFTEPSA-N	293.319	1.033	10	20	CDCD	
C[C@H](NCCN1CCC(O)CC1)c1c(O)cccc1F	886622596	XTPBHKLZJZYLDJ-NSHDSACASA-N	282.359	1.639	10	20	CDCD	
COc1cc(C)cc(CN2CCO[C@H](OC)C2)c1O	895963918	SBZKVYOHVLTDON-ZDUSSCGKSA-N	267.325	1.514	10	20	CDCD	
CC[C@H]1CC[C@H](C(=O)NCCc2ccc(N)cc2)O1	269144342	AMICSNXYZYAMHQ-UONOGXRCSA-N	262.353	1.885	10	20	CDCD	
COc1ccc(O)c(CN2CCC[C@H]([C@H](C)O)C2)c1	780893767	ZWEJMAOHVJPHPI-RYUDHWBXSA-N	265.353	1.994	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NCC2(C)OCCO2)c1	186211700	XSIPPWRIAQPBAA-SNVBAGLBSA-N	267.325	1.814	10	20	CDCD	
COCCOCCCCNC(=O)NCc1ccc(N)cc1	1356609363	LZRRGBFZOQGQRZ-UHFFFAOYSA-N	295.383	1.511	10	20	CDCD	
CC[C@H](O)CCN[C@H](C)c1cccc(-c2nn[nH]n2)c1O	1604067152	VCYMWRBYXJIHNE-ZJUUUORDSA-N	291.355	1.384	10	20	CDCD	
CCCCCS(=O)(=O)CC(=O)Nc1ccc(N)cc1	226132105	DIOLSSSXEAEZAX-UHFFFAOYSA-N	284.381	1.812	10	20	CDCD	
COC[C@H](NCc1cc(C)c(C)cc1O)C(=O)O	1610249433	CIOVFADSZUMREF-NSHDSACASA-N	253.298	1.198	10	20	CDCD	
CCn1cnnc1CN[C@@H](C)c1cc(F)ccc1O	230658873	KVBSFYSYVNFKCO-VIFPVBQESA-N	264.304	1.994	10	20	CDCD	
C[C@H](NC[C@@H]1COCCO1)c1cc(C(=O)O)ccc1O	1593257893	VERBYJHCMCAQRX-GXSJLCMTSA-N	281.308	1.156	10	20	CDCD	
Clc1cnc(Sc2cc(-c3nn[nH]n3)ncn2)s1	1592538846	PXHOBKMQWTZCRQ-UHFFFAOYSA-N	297.756	1.918	10	20	CDCD	
C[C@H](CNCc1cc([N+](=O)[O-])ccc1O)CC(=O)O	1776424923	SXWPISKBWMKNFP-QMMMGPOBSA-N	268.269	1.501	10	20	CDCD	
CCN1CCCc2cc(CNC[C@@H](O)CC(=O)O)ccc21	1776875491	JTTOEZDPJSZQAX-AWEZNQCLSA-N	292.379	1.384	10	20	CDCD	
CCOCCO[C@@H](C)C(=O)Nc1ccc(N)cc1	19268986	RELRYZDGGGRFRC-JTQLQIEISA-N	252.314	1.649	10	20	CDCD	
CCN1CCC[C@@H]1CNCc1cccc(OC)c1O	19960070	YUVCBDQMOKMXPO-CYBMUJFWSA-N	264.369	1.975	10	20	CDCD	
COc1ccc(N(C)C[C@H](O)COC(C)C)cc1	8697947	XKBBPNGUJBRVOK-ZDUSSCGKSA-N	253.342	1.917	10	20	CDCD	
OCC1(NCc2cc3c(cc2O)OCO3)CCCCC1	53096749	XGTHTDPXKAWXQQ-UHFFFAOYSA-N	279.336	1.906	10	20	CDCD	
C[C@H](CNCc1ccc2c(c1)CCCN2C)S(C)(=O)=O	697590633	YSXWIPXAOJEZHI-GFCCVEGCSA-N	296.436	1.592	10	20	CDCD	
CCCN1CCN(Cc2cc(OC)c(OC)cc2O)CC1	179440255	VOXKQLYUOUQVES-UHFFFAOYSA-N	294.395	1.937	10	20	CDCD	
C[C@@H](CN1CCN(C)CC1)NCc1c(O)cccc1Cl	113339464	LXGUQINMKCPYBH-LBPRGKRZSA-N	297.830	1.771	10	20	CDCD	
CCn1cc(NC(=O)c2ccc(C)c(O)c2O)ccc1=O	177674854	LYAUDWJDTODQCQ-UHFFFAOYSA-N	288.303	1.840	10	20	CDCD	
CC[C@@H](CCO)NCc1cc2c(cc1O)OCO2	123847545	MFULTZGXYNHDKL-JTQLQIEISA-N	253.298	1.372	10	20	CDCD	
CCN(C)C[C@@H](O)CN(C)Cc1ccccc1O	821391134	IANBDYXADWPCAT-CYBMUJFWSA-N	252.358	1.137	10	20	CDCD	
CC[C@H](NCCCS(C)(=O)=O)c1ccccc1O	38047107	FWLPMGPAPIFRDQ-LBPRGKRZSA-N	271.382	1.868	10	20	CDCD	
CN(C)C[C@@](C)(O)CNCc1ccc(N2CCCC2)cc1	228723956	CSBMYFRPYHMPSS-KRWDZBQOSA-N	291.439	1.689	10	20	CDCD	
Oc1ccc(F)cc1CNCCc1nnc2ccccn12	226582909	MDKDOBHNGRBSJN-UHFFFAOYSA-N	286.310	1.906	10	20	CDCD	
CC(C)C(=O)NCCN(C)Cc1cc2c(cc1O)OCO2	92104339	ATZSTXOSAASMPJ-UHFFFAOYSA-N	294.351	1.325	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)c2nc[nH]n2)cc1	269477219	VAXPAPZYBRKFFT-UHFFFAOYSA-N	273.340	1.581	10	20	CDCD	
O=C(NCCCO)NCc1ccc(N2CC=CC2)cc1	265941769	LJKOSLSJFXVEJP-UHFFFAOYSA-N	275.352	1.244	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)CCn1ccnn1	269153790	MFKNUPMOZJZYAX-UHFFFAOYSA-N	288.351	1.813	10	20	CDCD	
Cc1nc(C(=O)NCc2ccc(N(C)C)c(F)c2)c[nH]1	264906119	YFAXARWAOWTGNE-UHFFFAOYSA-N	276.315	1.853	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@H]2CCO[C@H](C)C2)c1O	278473431	HYPDIBDVUOVWGQ-KOLCDFICSA-N	296.323	1.966	10	20	CDCD	
Cc1ccc(C(=O)NC[C@@](C)(O)C(F)(F)F)c(O)c1O	272945573	HQQJMPUAMDGURA-LLVKDONJSA-N	293.241	1.449	10	20	CDCD	
NC(=O)CCCC(=O)NCc1ccc(N2CCCC2)cc1	299385943	IJOPZPAUMMKREL-UHFFFAOYSA-N	289.379	1.559	10	20	CDCD	
COc1ccc(CNC(=O)c2ccc3cncn3c2)c(O)c1	803292162	JGMUMGCLFUBLKQ-UHFFFAOYSA-N	297.314	1.979	10	20	CDCD	
CC(=O)C(=O)CS[C@@H](C)[C@@H](C)SCC(=O)C(C)=O	808033061	GIIYVQCYYGYOCL-AOOOYVTPSA-N	290.406	1.546	10	20	CDCD	
C[C@@H]1CCC[C@@]1(O)CNCc1cc([N+](=O)[O-])ccc1O	292857108	ALGZNEAQOGRENY-QMTHXVAHSA-N	280.324	1.941	10	20	CDCD	
COC(=O)C[C@H](C)CC(=O)NCc1cc(OC)ccc1O	809679408	CLRHRQWWCLZPOP-SNVBAGLBSA-N	295.335	1.606	10	20	CDCD	
CO[C@@H]1[C@@H]2C[C@@H]3[C@@H]1N(C(=O)c1cc(O)cs1)C[C@@H]3C2	807688557	LOTMQKRJHQCQDL-SWENSREHSA-N	279.361	1.949	10	20	CDCD	
C[C@H](CNCCCSc1nccs1)S(C)(=O)=O	819062593	GHQZDVBBICPLIE-SECBINFHSA-N	294.467	1.648	10	20	CDCD	
CCN(CC)c1ccc(CN2C[C@@H](O)[C@H](OC)C2)cc1F	825017417	RAGXULYUAIUMHX-HZPDHXFCSA-N	296.386	1.863	10	20	CDCD	
CC[C@H](NCc1cc(Cl)c(F)cc1O)C(=O)NC	825316829	VMMCHYVZBVSUSL-JTQLQIEISA-N	274.723	1.799	10	20	CDCD	
Cc1csc(=O)n1CCOC(=O)c1cc(O)cs1	732354800	ZVXXWWLBNBWTHH-UHFFFAOYSA-N	285.346	1.842	10	20	CDCD	
CSCC[C@H](N)C(=O)NCCc1ccc(N)cc1	832652778	GKQGLRZDVFLDNH-LBPRGKRZSA-N	267.398	1.008	10	20	CDCD	
CCn1c(S)nnc1CCNC(=O)c1cc(O)cs1	732288950	ZDMFTTBWDBMXFX-UHFFFAOYSA-N	298.393	1.326	10	20	CDCD	
CNC(=O)[C@@H]1CCC[C@@H]1N[C@@H]1CCc2cccc(O)c21	834697984	SNWLPWCCYAABQT-FRRDWIJNSA-N	274.364	1.884	10	20	CDCD	
COCCNC(=O)C1(NCc2cc(C)c(C)cc2O)CC1	839193079	OKLFTICAYAQGNV-UHFFFAOYSA-N	292.379	1.394	10	20	CDCD	
CO[C@H](CNCc1cc([N+](=O)[O-])ccc1O)C(F)(F)F	733329964	MNXCVTHUQAQIJJ-SNVBAGLBSA-N	294.229	1.967	10	20	CDCD	
C[C@@H]1CC[C@@H](CNC(=O)c2c(F)ccc(O)c2O)O1	839792006	FQGOTZPTFHMFCY-SFYZADRCSA-N	269.272	1.534	10	20	CDCD	
CNC[C@H]1CCCN(Cc2cc(OC)c(OC)cc2O)C1	843044044	AXOSKVFGANMIHF-GFCCVEGCSA-N	294.395	1.841	10	20	CDCD	
Nc1ccc(NC(=O)[C@H]2CCc3ncncc3C2)cc1	843291866	CVHFPQHTKXDLGN-JTQLQIEISA-N	268.320	1.802	10	20	CDCD	
CC[C@@H](C(=O)O)C(=O)NCc1ccc(N(C)C)cc1C	911409379	HSWVDDMBRUFEIX-CYBMUJFWSA-N	278.352	1.788	10	20	CDCD	
CCO[C@H]1C[C@H]1C(=O)NCc1ccc(O)cc1O	910952489	VRIDRTBQGYFMRX-PWSUYJOCSA-N	251.282	1.139	10	20	CDCD	
O=C(O)CN(Cc1ccccc1O)C(=O)C=C1CCC1	911494189	SMPHNCMUXBYXJO-UHFFFAOYSA-N	275.304	1.916	10	20	CDCD	
COc1ccc(CNC(=N)NCC(C)C)c(O)c1	849024882	DDAFKXBXDGYVMD-UHFFFAOYSA-N	251.330	1.671	10	20	CDCD	
N[C@@H]1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1	841832754	RXCQBPVYAIDEEZ-CQSZACIVSA-N	286.379	1.305	10	20	CDCD	
C[C@H](C[C@H]1CCCN1)NC[C@H](N)c1ccc(N(C)C)cc1	841042808	PCRVZBLLESNCNN-UNEWFSDZSA-N	290.455	1.873	10	20	CDCD	
CN(C)c1ccc(CN2CC[C@@H](O)[C@@H](CO)C2)cc1F	840974692	FGFGZZGJFWSMFH-IUODEOHRSA-N	282.359	1.067	10	20	CDCD	
Cc1nccn1CCN(C)c1ccc(OCC(=O)O)cc1	846280039	SKCAYKPDBXBXRF-UHFFFAOYSA-N	289.335	1.791	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2C[C@@H](C)NC[C@@H]2C)c1O	843120118	XXRHEOWOUKMDCQ-ZJUUUORDSA-N	295.339	1.491	10	20	CDCD	
Nc1ccc(CCNC(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)cc1	846175130	WVLCVHBSMZUZEM-MCIONIFRSA-N	275.352	1.430	10	20	CDCD	
COC[C@]1(CNCc2cc(C)ccc2O)CCCN1	841066999	HXROJUMYONXHNJ-OAHLLOKOSA-N	264.369	1.559	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1CC(=O)NCC1(C)C	840942901	MLFFCOCVAPOLGV-UHFFFAOYSA-N	275.396	1.771	10	20	CDCD	
COc1cc(C)cnc1C(=O)NCc1ccc(O)c(O)c1	754666321	YZQXYXJMIRPIEJ-UHFFFAOYSA-N	288.303	1.740	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN[C@@H]1CNCCOC1	925497561	HSUUWWRBSQXFJS-CQSZACIVSA-N	263.385	1.139	10	20	CDCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C[C@@H](O)[C@H](C)O	929294351	CLIXTYOBBYLTTA-XJKSGUPXSA-N	280.412	1.705	10	20	CDCD	
C[C@@H](NC(=O)C(C)(C)O)c1ccc(N2CCOCC2)cc1	756812868	QLSGDSCLKGYOBH-GFCCVEGCSA-N	292.379	1.471	10	20	CDCD	
COC/C=C\C(=O)NCc1ccc(OC)cc1O	867955411	ABARGJJDBJHKSC-ARJAWSKDSA-N	251.282	1.220	10	20	CDCD	
CC[C@H](NC[C@H]1COCCN1)c1ccc(N(C)C)cc1	863544663	AVTAJHJWDZIPEM-HOCLYGCPSA-N	277.412	1.782	10	20	CDCD	
COc1cc(Cl)cc(CN2CCCNC(=O)C2)c1O	761195767	NHTMTCJZPGWNPM-UHFFFAOYSA-N	284.743	1.376	10	20	CDCD	
CO[C@@H](C)CS(=O)(=O)N[C@H](C)c1ccccc1O	867835073	RUILBVVZUZKECO-VHSXEESVSA-N	273.354	1.408	10	20	CDCD	
Cc1ccc(CNCCN2CCOC[C@@H]2C)c(O)c1	877150243	MVBVGBPWWLZQQH-ZDUSSCGKSA-N	264.369	1.511	10	20	CDCD	
COCC1(C(=O)NCc2ccc(N(C)C)cc2)CC1	778545000	KRTHHRQNCSYAJV-UHFFFAOYSA-N	262.353	1.795	10	20	CDCD	
COc1ccc(N2CCC(NC[C@H]3C[C@@H](N)C3)CC2)cc1	873253567	AMCAUOHTEIUJTK-OKILXGFUSA-N	289.423	1.991	10	20	CDCD	
C[C@@H](NC(=O)N[C@H]1C[C@@H](C(=O)O)C1)c1ccccc1O	874416198	DIXNCGFFXACTON-BBBLOLIVSA-N	278.308	1.616	10	20	CDCD	
COCc1nc(C(=O)NCc2ccc(N(C)C)cc2)no1	775376494	BCNYKINMWHHJFK-UHFFFAOYSA-N	290.323	1.212	10	20	CDCD	
CN(CC(=O)NCc1ccco1)Cc1cc(F)ccc1O	778994444	DTYGMGYHIJKHDK-UHFFFAOYSA-N	292.310	1.873	10	20	CDCD	
CC[C@H](CO)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	779834348	DPKYQGDXIISWDR-MWLCHTKSSA-N	267.325	1.164	10	20	CDCD	
C[C@H](NC(=O)NCCO)c1ccc(N(C)C)cc1	775551959	QAAACSTXGFOQPN-JTQLQIEISA-N	251.330	1.105	10	20	CDCD	
CCO[C@H](C)C(=O)OCC(=O)c1ccc(O)c(O)c1	782887146	UNMAYGCTYMHAJM-MRVPVSSYSA-N	268.265	1.249	10	20	CDCD	
COc1cccc(O)c1CN1CCO[C@H](OC)C1	895968602	DWHGSKZYQMJDCN-ZDUSSCGKSA-N	253.298	1.206	10	20	CDCD	
COCC1(NCc2ccc(OC)c(OC)c2O)CC1	893166690	DFPRFASYHGWLGS-UHFFFAOYSA-N	267.325	1.678	10	20	CDCD	
CCOc1ccc([C@H]2NC(=O)CN2CC)c(O)c1	788688499	ASAQYJHBWYNNES-ZDUSSCGKSA-N	250.298	1.241	10	20	CDCD	
Cn1ncnc1/C=C1/SC(N2CCCCC2)=NC1=O	899341923	MWCJNPAIGJGJJH-VQHVLOKHSA-N	277.353	1.271	10	20	CDCD	
Cc1cc(NC(=O)c2cccc(O)c2O)cnc1O	790905520	PZCSCNZNDHIBCB-UHFFFAOYSA-N	260.249	1.759	10	20	CDCD	
C[C@@H](NCc1ccc2c(c1)CCO2)c1ccc(O)nn1	796739055	PAMXOUDRLUWYNR-SNVBAGLBSA-N	271.320	1.968	10	20	CDCD	
COc1ccc(CNC(=O)[C@H](O)C(C)(C)C)c(O)c1	794374897	YMWLOLWZZAZZBC-LBPRGKRZSA-N	267.325	1.424	10	20	CDCD	
NC(=O)[C@@H]1CCCN(Cc2ccc(N3CCCC3)cc2)C1	1204319022	DWQWKGYGXPIMRD-OAHLLOKOSA-N	287.407	1.984	10	20	CDCD	
COc1ccc(CNC(=O)[C@H]2CCO[C@H]2C)c(O)c1	794372581	BBHKNYSSEKINIS-CABZTGNLSA-N	265.309	1.442	10	20	CDCD	
COc1ccccc1S(=O)(=O)NCc1ccccc1O	751149417	XVUYFSJYBUGPBP-UHFFFAOYSA-N	293.344	1.879	10	20	CDCD	
CCc1cccc(CNCc2cn(CC)nn2)c1O	691483127	OUYXDPCNCFZAKN-UHFFFAOYSA-N	260.341	1.856	10	20	CDCD	
COc1cccc(CN2CCC(NC(C)=O)CC2)c1O	92669984	PBOSTIGAXQBMBH-UHFFFAOYSA-N	278.352	1.501	10	20	CDCD	
C[C@H](CNC(=O)NCc1ccc(N)cc1)C[C@@H](C)O	1337020013	WSJMIWLSFQRTFL-WDEREUQCSA-N	265.357	1.475	10	20	CDCD	
COc1ccc(CN[C@H](C)c2noc(C)n2)c(O)c1OC	1262371285	GXDCXKZBFLIRIK-MRVPVSSYSA-N	293.323	1.952	10	20	CDCD	
CN(CC(=O)NCc1ccc(N)cc1)CC(C)(C)C	1346210569	VYFLZWBQUBJWCH-UHFFFAOYSA-N	263.385	1.863	10	20	CDCD	
Cn1cnc(/C=C\C(=O)N2C[C@H](N)Cc3ccccc32)c1	1343685815	HUELEEDEGLIHEJ-FMFIFOJESA-N	282.347	1.350	10	20	CDCD	
O=C(NCc1cccc(O)c1O)[C@@H]1CCCOCC1	1528770969	ITHLQRRQOOIOGI-SNVBAGLBSA-N	265.309	1.531	10	20	CDCD	
Cc1cccc(CN2CCO[C@H](CC(=O)O)C2)c1O	1600533201	KIMDOEAUOBKJRA-GFCCVEGCSA-N	265.309	1.376	10	20	CDCD	
Cc1ccc(C(=O)N2C3CCC2(C(=O)O)CC3)c(O)c1O	1607729178	YELQWUYGMUECRR-UHFFFAOYSA-N	291.303	1.628	10	20	CDCD	
CO[C@H]1CCCC[C@H]1C(=O)NCc1cccc(O)c1O	1548791531	LYKMVEUPOREWLK-YPMHNXCESA-N	279.336	1.919	10	20	CDCD	
C[C@H](NCCCNS(C)(=O)=O)c1ccc(N(C)C)cc1	121169045	QCCAPCWOLNROJC-LBPRGKRZSA-N	299.440	1.343	10	20	CDCD	
COc1ccc(CN(CC(=O)O)CC(C)C)c(O)c1OC	1599558432	AUGZAFBREBTPSV-UHFFFAOYSA-N	297.351	1.952	10	20	CDCD	
CO[C@H]1CCN(Cc2ccc(C)cc2O)[C@H](C(=O)O)C1	1599125054	YNBZPZATKURYBQ-STQMWFEESA-N	279.336	1.765	10	20	CDCD	
CN(CC(=O)N(C)C)Cc1ccc(N(C)C)c(F)c1	162481699	LJQVZTIYRTXENY-UHFFFAOYSA-N	267.348	1.412	10	20	CDCD	
C[C@@H](NCc1ccc2c(c1)CCCO2)c1ncnn1C	922045873	JSTBQIFMGIKMDO-LLVKDONJSA-N	272.352	1.991	10	20	CDCD	
CCN(CCS(C)(=O)=O)Cc1c(O)cccc1Cl	271165016	BJXLVMJQHPMLJY-UHFFFAOYSA-N	291.800	1.912	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NCc2nnc(C)n2C)c1	182367106	VRTJKMXOMQZPTF-SECBINFHSA-N	276.340	1.689	10	20	CDCD	
CC(C)(C)[C@@H](CCO)NC(=O)c1cccc(O)c1O	185906194	KSOAGHYVPWDCRW-LLVKDONJSA-N	267.325	1.625	10	20	CDCD	
Cc1nnc(O)c(C(=O)Nc2ccc(N)cc2)c1C	706394342	WFHIADZNTACYFM-UHFFFAOYSA-N	258.281	1.634	10	20	CDCD	
CO[C@H](CNCc1cc2c(cc1O)OCO2)C1CC1	378749837	JOAVMOXKVASRRD-CQSZACIVSA-N	265.309	1.636	10	20	CDCD	
COc1cc(Br)cc([C@H](N)CO)c1O	72199332	DNSGEYWSPXGRGL-SSDOTTSWSA-N	262.103	1.155	10	20	CDCD	
CNC[C@H](C)C(=O)NCc1ccc(N2CCCC2)cc1	178710932	GCQNYOUCYHUJSL-ZDUSSCGKSA-N	275.396	1.759	10	20	CDCD	
CC(C)n1nnnc1N1CCOc2cc(N(C)C)ccc21	1262210373	UNNUPFAMCQTGEF-UHFFFAOYSA-N	288.355	1.851	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)c1	114543847	CILGFRCWJHUXMP-BZPMIXESSA-N	277.320	1.585	10	20	CDCD	
O=C(O)CCCCCNC(=O)/C=C/c1ccc(O)c(O)c1	38683930	BUDRYQYYCHZWDV-SOFGYWHQSA-N	293.319	1.872	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNS(=O)(=O)c1c[nH]cn1	122199919	SLDPRWALRUXRNO-UHFFFAOYSA-N	294.380	1.263	10	20	CDCD	
COc1ccc(N2CCN(C(=O)[C@@H](C)C(=O)O)CC2)cc1	76540221	XUZMYPQGLCAVDF-LLVKDONJSA-N	292.335	1.065	10	20	CDCD	
COc1ccc(N2CCN(C(=O)c3ccn(C)c3)CC2)cc1	74949737	JNMVDTOPSNUNHQ-UHFFFAOYSA-N	299.374	1.996	10	20	CDCD	
CNC[C@H]1CCCN(Cc2cc(F)ccc2O)C1	219686540	WECANQKZFMOLBG-LLVKDONJSA-N	252.333	1.963	10	20	CDCD	
Nc1ccc(NC(=O)COC2CCOCC2)cc1	40991991	FQIKTFWCRNOLCR-UHFFFAOYSA-N	250.298	1.403	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@H]2CCCCC(=O)N2)cc1	193703501	VVJVBBOGTHZGGW-AWEZNQCLSA-N	289.379	1.428	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccncn1	194007543	VDACAVYFROIASG-SECBINFHSA-N	288.307	1.641	10	20	CDCD	
CCCCCN(CC(N)=O)C(=O)c1cccc(O)c1O	193156766	LKKGDJYVXBQSLN-UHFFFAOYSA-N	280.324	1.216	10	20	CDCD	
COC(=O)N(C)CCCC(=O)NCCc1ccc(N)cc1	237234548	YOGYLHCLCXHJTP-UHFFFAOYSA-N	293.367	1.406	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)CCCN	237101430	FLLWBCPWJWNRHI-UHFFFAOYSA-N	263.341	1.217	10	20	CDCD	
CC[C@](C)(NC(=O)Cc1ccc(N)cc1)C(=O)OC	269220716	KCMWUTBZRPMRDE-AWEZNQCLSA-N	264.325	1.269	10	20	CDCD	
COC(=O)C(C)(C)NC(=O)/C=C/c1ccc(O)c(O)c1	272524963	WGOKRCIMHJBJIJ-FNORWQNLSA-N	279.292	1.179	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@H]1C[C@@]12CCNC2	364154437	DLHSHADBUNURHH-IUODEOHRSA-N	260.337	1.350	10	20	CDCD	
COc1cccc(CNC(=O)CC(C)(C)OC)c1O	279808508	JCPFPYPCCIJYEP-UHFFFAOYSA-N	267.325	1.832	10	20	CDCD	
CCN(CC)c1ccc(CN2C[C@H](O)[C@@H](O)C2)cc1	278460974	ZVUCBPKWHATXGY-GJZGRUSLSA-N	264.369	1.070	10	20	CDCD	
COc1ccc(O)c(CN2CCOC[C@@H]2[C@@H]2CCCO2)c1	377689467	BUBWOXREFUCOIJ-ZBFHGGJFSA-N	293.363	1.781	10	20	CDCD	
Cc1ccc(C(=O)NCCN2CC=CCC2)c(O)c1O	280301861	SBUWGOSYALZXNF-UHFFFAOYSA-N	276.336	1.398	10	20	CDCD	
COc1ccc(O)c(CN2C[C@H](C)O[C@]3(CCOC3)C2)c1	280294779	OLOZOUYXZVGMMY-BLLLJJGKSA-N	293.363	1.781	10	20	CDCD	
COc1cccc(C(=O)OCC(=O)C(C)=O)c1OC	808488966	WRPJGTMUMJQLPO-UHFFFAOYSA-N	266.249	1.019	10	20	CDCD	
CCOc1ccc(O)c(CNCc2n[nH]c(CC)n2)c1	296052261	OTDNQDOMRZZJQK-UHFFFAOYSA-N	276.340	1.761	10	20	CDCD	
COC[C@@H](O)CNCc1cc(Cl)c(F)cc1O	293626580	MWHJGAIUTQBVNN-QMMMGPOBSA-N	263.696	1.282	10	20	CDCD	
O=C(c1c(F)ccc(O)c1O)N1CCC[C@H]1CF	295716190	YXEJMXNMSLJRBD-ZETCQYMHSA-N	257.236	1.811	10	20	CDCD	
Cc1nn(C)c(C)c1CCC(=O)NCc1ccccc1O	299469009	FWXDWEMINLXIGA-UHFFFAOYSA-N	287.363	1.992	10	20	CDCD	
CC(=O)C(=O)CSc1nnc(-c2ccccc2)n1C	808013330	YARSWZRXTXBGQT-UHFFFAOYSA-N	275.333	1.732	10	20	CDCD	
CCN[C@H](C)CN[C@@H](C)c1cc([N+](=O)[O-])ccc1O	817972734	OEMTZLRNZTYCPB-ZJUUUORDSA-N	267.329	1.949	10	20	CDCD	
CC[C@@H](NCCN1CCNCC1)c1cccc(Cl)c1O	817944498	FBPIJJHFFVGGKH-CQSZACIVSA-N	297.830	1.992	10	20	CDCD	
Cn1cc(/C=C2\C(=O)N3CCCc4cccc2c43)nn1	817345351	IJTXFWCCWUOVRG-JYRVWZFOSA-N	266.304	1.649	10	20	CDCD	
C[C@H]1CN=C(NC(=O)c2cccc(O)c2O)S1	819782745	QBPAEMAUYGGQGR-LURJTMIESA-N	252.295	1.319	10	20	CDCD	
CO[C@H]1C[C@H](NC(=O)c2c(F)ccc(O)c2O)C1(C)C	826764000	LUBRKPNTOCWMKE-UWVGGRQHSA-N	283.299	1.780	10	20	CDCD	
CC(C)NC(=O)CCCC(=O)NCc1ccccc1O	729530060	UZIHRMMSIKJYHV-UHFFFAOYSA-N	278.352	1.703	10	20	CDCD	
COCCCNC(=O)[C@@H](C)OC(=O)c1cc(O)cs1	732352696	CGQAKGBNIBINIM-MRVPVSSYSA-N	287.337	1.152	10	20	CDCD	
CCNC(=S)N(C)Cc1ccc(N2CCOCC2)cc1	730595601	VOTPENSEPLPBJA-UHFFFAOYSA-N	293.436	1.849	10	20	CDCD	
CCn1nccc1CNC(=O)NCCc1ccc(N)cc1	831103277	KKMOFHRROVTNJH-UHFFFAOYSA-N	287.367	1.527	10	20	CDCD	
CCCN1CCC[C@H](C(=O)NCc2ccc(O)cc2O)C1	910955477	FXIWHKSHHSZKBN-ZDUSSCGKSA-N	292.379	1.836	10	20	CDCD	
C[C@H](Cc1cnn(C)c1)NC(=O)c1c(F)ccc(O)c1O	839787083	UXNKWCYEHRONFK-MRVPVSSYSA-N	293.298	1.331	10	20	CDCD	
CN(Cc1ccc(N2CCOCC2)c(F)c1)C1CNC1	843124957	RJVHCOBUBIHMGV-UHFFFAOYSA-N	279.359	1.066	10	20	CDCD	
C[C@@H](O)[C@H]1CCCN(C(=O)c2cc(O)cs2)C1	747617031	NYOOQXZDFDWIRM-BDAKNGLRSA-N	255.339	1.687	10	20	CDCD	
CN(C)c1ccc([C@H](N)CNC(=O)CCNC2CC2)cc1	848394092	MWGIGHHQZCVKRB-OAHLLOKOSA-N	290.411	1.011	10	20	CDCD	
COC[C@@H](C)NC(=N)NCc1ccc(OC)cc1O	849024818	BBDRIVYAZLRCER-SECBINFHSA-N	267.329	1.050	10	20	CDCD	
CCC(CC)(C(=O)O)C(=O)NCc1ccccc1O	846701992	KOQHUGCRAWAVDS-UHFFFAOYSA-N	265.309	1.899	10	20	CDCD	
CC(C)(C)N1CC[C@@H](NC(=O)c2cccc(O)c2O)C1=O	843939924	PPUKGWULYJTPQQ-SNVBAGLBSA-N	292.335	1.227	10	20	CDCD	
CCOC(=O)[C@@H](CC)C(=O)NCc1ccc(O)c(O)c1	840402890	PIPXIWZZOZQHSV-JTQLQIEISA-N	281.308	1.303	10	20	CDCD	
C[C@H]1CN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CCN1	841880715	GRNUHUKBJJRGBT-STQMWFEESA-N	290.411	1.817	10	20	CDCD	
CCN[C@H](C)CNC(=O)NCc1ccc(OC)cc1O	841986604	UMAVDSCPJYPPSN-SNVBAGLBSA-N	281.356	1.198	10	20	CDCD	
COc1cccc(CNC(=O)N[C@H]2CCC[C@@H](N)C2)c1O	841980876	IZDATKLQQGGWLX-NEPJUHHUSA-N	293.367	1.470	10	20	CDCD	
CCNCCNCc1ccc(N2CCN(C)CC2)cc1	841035341	FBQNTMAUWTYTJF-UHFFFAOYSA-N	276.428	1.138	10	20	CDCD	
CCCC[C@H](CN)NC(=O)NCCc1ccc(N)cc1	841956116	VOFLZKKQLRHMOJ-CQSZACIVSA-N	278.400	1.628	10	20	CDCD	
COc1ccc(CN[C@@H](CO)c2cnn(C)c2)cc1C	756992592	SMPBQIKOEBCTQQ-AWEZNQCLSA-N	275.352	1.560	10	20	CDCD	
Cc1nc(CC(=O)N(C)Cc2ccc(N(C)C)cc2)n[nH]1	854324336	IVMOFMYIBWCQBG-UHFFFAOYSA-N	287.367	1.380	10	20	CDCD	
COC[C@@H]1COCCN1Cc1ccc(N(C)C)cc1	933331194	LJTDSAUIPJUPBM-OAHLLOKOSA-N	264.369	1.600	10	20	CDCD	
CC[C@H](C)N(CCO)Cc1cccc(OC)c1O	862386728	ATMCFNSZUYXVBO-NSHDSACASA-N	253.342	1.994	10	20	CDCD	
C[C@@H](NC(=O)N[C@H](C)c1ccccc1O)c1ncn(C)n1	868522209	BQKOECCGEDAMJG-NXEZZACHSA-N	289.339	1.642	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)Nc1ncc([N+](=O)[O-])cn1	762800870	XBAPLPOFWCVNCC-MRVPVSSYSA-N	290.279	1.839	10	20	CDCD	
CCOC(=O)[C@@H](CC)C(=O)NCc1cc(C)ccc1O	862754944	LZSNHFVOKKGJAS-LBPRGKRZSA-N	279.336	1.906	10	20	CDCD	
C[C@H](N[C@@H]1COC[C@@H]1O)c1cccc(C(F)(F)F)c1O	866421192	XFNIARFJYCVWQH-XROYCOCOSA-N	291.269	1.821	10	20	CDCD	
Cc1cc(CN2C[C@@H](CO)[C@@H](CO)C2)ccc1N(C)C	879695175	IBGHQRGWAMFLOI-GASCZTMLSA-N	278.396	1.094	10	20	CDCD	
COc1cccc(O)c1CN1CCN(C(C)(C)CO)CC1	769445350	GROFVBNQEWICBO-UHFFFAOYSA-N	294.395	1.289	10	20	CDCD	
Cc1nnc(COC(=O)/C=C\c2ccc(O)c(O)c2)o1	772776300	PTRZCGWQQJQPJD-HYXAFXHYSA-N	276.248	1.546	10	20	CDCD	
C[C@@H]1CN(Cc2cc(Cl)cc(F)c2O)CCN1	775638433	DERPXKKUYSQLGO-MRVPVSSYSA-N	258.724	1.978	10	20	CDCD	
CC(C)CN1CCN(Cc2ccc(N)cc2)[C@@H](C)C1=O	1120268403	DIEYPNPOQINCKX-ZDUSSCGKSA-N	275.396	1.958	10	20	CDCD	
CCOc1ccc(O)c(CN[C@@H](CO)C[C@H]2CCCO2)c1	886229891	XJYKWPMZWXQLJW-ZIAGYGMSSA-N	295.379	1.811	10	20	CDCD	
CS[C@@H](CO)[C@@H](C)NCc1cc(C)ccc1O	219056909	ONVOSZUYPBTACD-MFKMUULPSA-N	255.383	1.903	10	20	CDCD	
CN1CCCc2cc(CNC(=O)N3CC[C@@H]3CO)ccc21	892492839	UXZYACKNZUDPHC-CQSZACIVSA-N	289.379	1.345	10	20	CDCD	
NC(=O)C1(CNC(=O)c2c(F)ccc(O)c2O)CCCC1	789977908	BLCUBWLIIMXTTO-UHFFFAOYSA-N	296.298	1.012	10	20	CDCD	
C[C@H]1C[C@H](O)CN1C(=O)NCc1ccc(N(C)C)cc1	788082608	JDACWAIKOTUAHU-FZMZJTMJSA-N	277.368	1.417	10	20	CDCD	
COc1ccc(CNC(=O)c2c[nH]nc2C)c(O)c1	794377842	WQEHGPMNKBHRPG-UHFFFAOYSA-N	261.281	1.362	10	20	CDCD	
O=S(=O)(C[C@H]1CCCOC1)NCc1ccccc1O	792766742	SISLEWDYLNSEFA-NSHDSACASA-N	285.365	1.238	10	20	CDCD	
CCc1cccc(CN[C@]2(CO)CCOC2)c1O	691434986	MTYXJMUUKKDMFY-AWEZNQCLSA-N	251.326	1.196	10	20	CDCD	
C[C@@H](NC(=O)N[C@@H]1CCOC1)c1ccccc1O	868434783	HBFHWFYBPHHSET-NXEZZACHSA-N	250.298	1.541	10	20	CDCD	
Cc1nnc(CNCc2cc(Cl)c(F)cc2O)n1C	1324275173	BWGWUQBARAAURF-UHFFFAOYSA-N	284.722	1.911	10	20	CDCD	
CO[C@H]1CC[C@H](NC(=O)NCCc2ccc(N)cc2)C1	1325324368	QPENVJFWVWRQFS-KBPBESRZSA-N	277.368	1.678	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)C(=O)NCCC1(C)CC1	1324541671	SWDMQQDLXKRPRO-UHFFFAOYSA-N	290.363	1.657	10	20	CDCD	
Cc1cc(O)c(CNC[C@H](O)Cn2ccnn2)cc1Cl	1328759370	RTXRJPGCHRLYNA-NSHDSACASA-N	296.758	1.096	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CC[C@H]1C	1334310604	ZLHLLRRVFNHQCQ-GFCCVEGCSA-N	289.379	1.298	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@]2(F)CCOC2)c1	1346447058	MKIIXHUWQRLKRE-OTYXRUKQSA-N	283.299	1.707	10	20	CDCD	
COc1cccc(CNC(=O)[C@H]2C[C@@H](C(=O)O)C2)c1O	1526739085	BUZBZNDPUYEYSJ-AOOOYVTPSA-N	279.292	1.128	10	20	CDCD	
Cc1ccc(CN2CCC([C@H](O)C(=O)O)CC2)c(O)c1	1600412607	JQQANYOOFVMGJR-AWEZNQCLSA-N	279.336	1.358	10	20	CDCD	
CCc1cccc(CN2CC[C@@](F)(C(=O)O)C2)c1O	1605829121	YUBLAEGRGGFJQK-AWEZNQCLSA-N	267.300	1.953	10	20	CDCD	
C[C@@H](NCc1ccnn1C)c1cccc(-c2nn[nH]n2)c1O	1603670391	GSFSAERXCOBZBT-SECBINFHSA-N	299.338	1.157	10	20	CDCD	
Cc1c(CNC(=O)Cc2ccc(N)cc2)cnn1C	226221811	VCOLFOOBLUQCNX-UHFFFAOYSA-N	258.325	1.170	10	20	CDCD	
C[C@@]1(NC(=O)c2ccc(N=NC(N)=O)cc2)CCNC1	1576541765	PMBWQSZPBOFIPB-CYBMUJFWSA-N	275.312	1.331	10	20	CDCD	
C[C@H](CN(C)Cc1cc(F)c(F)cc1O)C(=O)O	1589033675	ALLQDGFGGZALRI-SSDOTTSWSA-N	259.252	1.823	10	20	CDCD	
O=C1NC(=S)S/C1=C/c1cncc(C(=O)O)c1	1777698898	KCWZDAHNOUYGRG-FARCUNLSSA-N	266.303	1.269	10	20	CDCD	
O=C(N[C@@H]1CCCCC[C@H]1O)c1cccc(O)c1O	126526405	ZKASFQLHKGHNAM-GHMZBOCLSA-N	265.309	1.521	10	20	CDCD	
Cc1cccc(CNCCS(=O)(=O)C2CC2)c1O	840965138	ASOOZEIPXQNLQV-UHFFFAOYSA-N	269.366	1.367	10	20	CDCD	
Cc1n[nH]cc1S(=O)(=O)N[C@H](C)c1ccccc1O	867834966	XHRKWPSZDODTSB-MRVPVSSYSA-N	281.337	1.463	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)CCC(=O)O	32123613	VZPOIZUSKZUWJC-UHFFFAOYSA-N	278.352	1.966	10	20	CDCD	
COC[C@H]1CCCN(C(=O)Cc2ccc(N)cc2)C1	157449222	NNKYYTCQLRCBRP-ZDUSSCGKSA-N	262.353	1.696	10	20	CDCD	
Cc1ccc([C@@H](C)NC[C@H]2CCS(=O)(=O)C2)c(O)c1	38083085	WBJCQHBRPRVNAX-VXGBXAGGSA-N	283.393	1.786	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC[C@@H]2CCS(=O)(=O)C2)c1	38082793	VKRHSWSHUKKKNW-QWRGUYRKSA-N	299.392	1.486	10	20	CDCD	
C[C@@H](CNCc1ccc2c(c1)CCCN2C)S(C)(=O)=O	697590635	YSXWIPXAOJEZHI-LBPRGKRZSA-N	296.436	1.592	10	20	CDCD	
CCc1cccc(CN[C@@H](CO)C[C@@H]2CCCO2)c1O	895750355	ZSXAGSFWIUGRDI-CABCVRRESA-N	279.380	1.974	10	20	CDCD	
CN1C(=O)C(=CNc2cccc(Cl)c2)C(=O)N(C)C1=O	2550829	FLENBHNRVPOHKV-UHFFFAOYSA-N	293.710	1.686	10	20	CDCD	
CCNC(=O)CN(CC)Cc1ccc(N(C)C)c(F)c1	119306332	JRVKILZKEVUTOV-UHFFFAOYSA-N	281.375	1.850	10	20	CDCD	
CNCCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	1341621258	FOZSCACDFSGQBF-HNNXBMFYSA-N	292.427	1.081	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N(CCO)C1CC1	304205717	BQROABBYSATGKB-UHFFFAOYSA-N	291.395	1.727	10	20	CDCD	
COC[C@@H]1CN(Cc2cccc(C)c2O)C[C@@H](C)O1	188368112	BNYHKNSPFAAVGT-OCCSQVGLSA-N	265.353	1.936	10	20	CDCD	
C[C@@H](NC[C@@H](C)N1CCN(C)CC1)c1cc(F)ccc1O	185366061	KUXINOKQIUPLFS-CHWSQXEVSA-N	295.402	1.818	10	20	CDCD	
CO[C@H]1CC(=O)N(CN(C)Cc2ccc(N(C)C)cc2)C1	189040798	KGZLMXRXXYRHRT-HNNXBMFYSA-N	291.395	1.389	10	20	CDCD	
CCS(=O)(=O)CCN[C@H](C)c1ccc(F)cc1O	185330828	KPVFILIAUXVLQB-SECBINFHSA-N	275.345	1.617	10	20	CDCD	
CCOc1cccc(CN2CCN[C@@H](C)C2)c1O	88058605	KFTHSQNJEUEJMY-NSHDSACASA-N	250.342	1.585	10	20	CDCD	
COc1ccc(CNC(=O)c2cnn(C3CC3)c2)c(O)c1	529231137	XLEQKABHHHOSET-UHFFFAOYSA-N	287.319	1.862	10	20	CDCD	
COc1ccc(N2CCN(C(=O)C(F)F)CC2)cc1F	279171248	KZSQMVBZZRCKHR-UHFFFAOYSA-N	288.269	1.748	10	20	CDCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N1CCO[C@@H]2C[C@@H]21	366172879	SUPKPRZLSKOGFF-JKSUJKDBSA-N	299.374	1.746	10	20	CDCD	
Cc1ccc(C(=O)N2CC[C@H]([C@@H]3CCOC3)C2)c(O)c1O	368084684	HMFNBTGAPHZEDT-NWDGAFQWSA-N	291.347	1.905	10	20	CDCD	
O=C1CCC[C@H]1[C@H]1COCCN1Cc1ccccc1O	365277259	INIBYCNEEZERTL-UONOGXRCSA-N	275.348	1.962	10	20	CDCD	
COCCN(CCN(C)C)Cc1cc(OC)ccc1O	289398960	GEPNTZNAAUEQKN-UHFFFAOYSA-N	282.384	1.411	10	20	CDCD	
CCC[C@]1(CO)CCN(C(=O)c2cccc(O)c2O)C1	290482535	DFJWAWRSNUWHPM-HNNXBMFYSA-N	279.336	1.723	10	20	CDCD	
CCn1ncnc1CSc1ncc(C(=O)OC)s1	295287054	LDNYGMCFGRUWCG-UHFFFAOYSA-N	284.366	1.833	10	20	CDCD	
COc1ccc(CNCc2cn(C(C)C)nn2)c(O)c1	809658112	DISKISSWKNOQRS-UHFFFAOYSA-N	276.340	1.863	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)N1CCCC1	298820814	ULNMOWYGHVJIQV-UHFFFAOYSA-N	290.363	1.753	10	20	CDCD	
CN(CC1(N(C)C)CCC1)C(=O)c1c(F)ccc(O)c1O	295950390	LSYKQVJSJYHPEF-UHFFFAOYSA-N	296.342	1.793	10	20	CDCD	
Cc1c([C@@H](C)NC(=O)NCc2ccccc2O)cnn1C	299527381	RQDARBBAKPAXIS-SNVBAGLBSA-N	288.351	1.995	10	20	CDCD	
O=C(NCc1cnc2n1CCCC2)c1cc(O)cs1	807562500	NWSRWIHXZMOFRC-UHFFFAOYSA-N	277.349	1.917	10	20	CDCD	
CN(C(=O)/C=C\c1ccc(O)c(O)c1)[C@H]1CCCOC1	804286502	JZPGWNWXJYUUCE-HWPRWLFBSA-N	277.320	1.748	10	20	CDCD	
CC(C)OCc1cc(NS(C)(=O)=O)ccc1O	811705583	WHUORJAYYCGCNX-UHFFFAOYSA-N	259.327	1.689	10	20	CDCD	
O=C(O)[C@@H]1CCN(Cc2cc3c(cc2O)OCO3)C1	819286566	BKPRKNAMMOVCNA-MRVPVSSYSA-N	265.265	1.027	10	20	CDCD	
C[C@H]1CO[C@@H](CO)CN1Cc1cc(Cl)c(F)cc1O	816521113	HIFUQUHEHLTSSH-WCBMZHEXSA-N	289.734	1.766	10	20	CDCD	
COC[C@]1(CN[C@H](C)c2ccccc2O)CCCN1	817974390	LCSGZFOGZVXTQW-IUODEOHRSA-N	264.369	1.811	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@H]1[C@H]2C(=O)CC[C@H]21	906991303	MEINENQIWOHGRE-LERXQTSPSA-N	259.305	1.576	10	20	CDCD	
Nc1ccc(CNC(=O)c2ccnc(C3CC3)n2)cc1	837303566	XZFLNQPHVGTSJY-UHFFFAOYSA-N	268.320	1.866	10	20	CDCD	
O=C(O)CC[C@H]1C[C@H](C(=O)NCc2ccccc2O)CO1	901608575	JSHKIBGIAJJDSP-RYUDHWBXSA-N	293.319	1.278	10	20	CDCD	
C[C@H](NC(=O)O)C(=O)NCc1ccc(N(C)C)c(F)c1	833739937	YJIZOATWGOPSLW-QMMMGPOBSA-N	283.303	1.164	10	20	CDCD	
C[C@@H]1C[C@H](NC(=O)c2c(F)ccc(O)c2O)c2nccn21	839786179	MWCDKEZVBHKJNS-APPZFPTMSA-N	291.282	1.869	10	20	CDCD	
Cc1ccc(C(=O)N2CC[C@H](CCCO)C2)c(O)c1O	837191523	IBVJDKIIUXIHNA-NSHDSACASA-N	279.336	1.641	10	20	CDCD	
CN(C)[C@@H]1CCC[C@H]1NC(=O)c1cc(O)cs1	832496568	VGGGZZKRKLQZPV-NXEZZACHSA-N	254.355	1.666	10	20	CDCD	
COc1ccc(N2CC[C@H](CNC3=NCCN3C)C2)cc1	849044163	XEWQHVUNIGGSTP-CYBMUJFWSA-N	288.395	1.413	10	20	CDCD	
NCC[C@@H](NCc1cc(F)ccc1O)C(F)(F)F	841090908	QFTIONFVDIMVDT-SNVBAGLBSA-N	266.238	1.901	10	20	CDCD	
C[C@@H]1CN(C(=O)C(=O)Nc2ccc(N)cc2)CCC1(F)F	841132914	KADFTLILOMJGOQ-SECBINFHSA-N	297.305	1.711	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CSCN2)c1	843489059	CJRLQYGPFNNITG-LDYMZIIASA-N	282.365	1.241	10	20	CDCD	
CCOC1CC(CC(=O)NCc2ccc(O)cc2O)C1	910947823	NXOMKFGDFAPQNR-UHFFFAOYSA-N	279.336	1.919	10	20	CDCD	
Cc1cc(Br)cc(CN(C)CCN)c1O	841101247	UBFVDGHUYOEDCO-UHFFFAOYSA-N	273.174	1.854	10	20	CDCD	
CO[C@H](CS(=O)(=O)Nc1ccc(O)cc1)C(C)C	842573439	KBECJGZZGVMGFC-GFCCVEGCSA-N	273.354	1.805	10	20	CDCD	
CCNCCNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1	841883010	QRAYVJPUOFXEOM-LBPRGKRZSA-N	278.400	1.722	10	20	CDCD	
CCO/C=C/C(=O)NCc1ccc(OC)cc1O	848022898	HJOUTZVLYVDXGF-VOTSOKGWSA-N	251.282	1.567	10	20	CDCD	
C[C@@H](CCN)NC(=O)NCc1ccc(N2CC=CC2)cc1	841832236	LJDOIBHTPVPAGQ-ZDUSSCGKSA-N	288.395	1.599	10	20	CDCD	
CCCN(C)C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1	842785064	LHLXXGJESVSVNI-CQSZACIVSA-N	278.400	1.804	10	20	CDCD	
C[C@@H](NC(=O)N(C)CCCN)c1ccc(N(C)C)cc1	841881619	AKZWCBLUTYRCBM-GFCCVEGCSA-N	278.400	1.804	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2[C@H]3CNC[C@H]32)c1	843490084	XMJYNXIEYFCEQL-XFOOOJQKSA-N	276.336	1.043	10	20	CDCD	
CCn1cc(CNC(=O)NCCc2ccc(N)cc2)cn1	841903479	TUYMVQKLGMDKGK-UHFFFAOYSA-N	287.367	1.527	10	20	CDCD	
CCOc1ccc(CN[C@H]2CCCN(CC)C2=O)c(O)c1	922641143	YDRLEXPWBUQLOK-AWEZNQCLSA-N	292.379	1.891	10	20	CDCD	
COc1cc(N2CCN(OC)CC2)c([N+](=O)[O-])cc1OC	853671307	MSRRLJTZWHGRKF-UHFFFAOYSA-N	297.311	1.295	10	20	CDCD	
C[C@H](NC(=O)c1cc(=O)cc[nH]1)c1ccc(N(C)C)cc1	935464862	NFSSZNLWRWEKHQ-NSHDSACASA-N	285.347	1.932	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1CCSC[C@@H]1CO	877779906	HXGSTRLQJHGWSH-HNNXBMFYSA-N	280.437	1.971	10	20	CDCD	
Oc1ccc(F)cc1CN[C@]12CCC[C@@H]1NCC2	873229924	IYHONMDRUUPOFN-KBPBESRZSA-N	250.317	1.906	10	20	CDCD	
CC(C)CN1CCN(C(=O)c2cc(O)cs2)[C@H](C)C1=O	779468722	FZXRKEBUTSWZTH-SNVBAGLBSA-N	296.392	1.783	10	20	CDCD	
Oc1c(F)cc(Cl)cc1CNC[C@H]1COCCO1	776033440	HRKMYASKOIGKSN-JTQLQIEISA-N	275.707	1.690	10	20	CDCD	
Cc1cccc(CN2[C@H](C)C(=O)N[C@@H](C)[C@H]2C)c1O	895118861	QMJMVCVDITVSMJ-QJPTWQEYSA-N	262.353	1.798	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NCC[C@H](O)C2CC2)cc1	891607923	URVAEFXHRFELBX-HNNXBMFYSA-N	291.395	1.713	10	20	CDCD	
Cc1ccc(CNC(=O)c2cccc(O)c2O)c(=O)n1C	787601702	FVRIJAVRTWXZTF-UHFFFAOYSA-N	288.303	1.035	10	20	CDCD	
COCC[C@@]1(NCc2cc(C)cc(OC)c2O)CCOC1	894578861	WDCFEZOAGOYMDN-MRXNPFEDSA-N	295.379	1.994	10	20	CDCD	
C[C@@H](NC[C@@H]1CCS(=O)(=O)C1)c1ccc(F)cc1O	62747893	IRORQYXCKDAXTK-ZJUUUORDSA-N	287.356	1.617	10	20	CDCD	
O=C(C[C@H]1CCCOC1)NCc1ccc(O)c(O)c1	793689394	LEIXSBYRAYFUEA-LLVKDONJSA-N	265.309	1.531	10	20	CDCD	
COc1cccc(O)c1CNC[C@]1(C)CCOC1	733327640	JZNHFTYKIOPXMA-AWEZNQCLSA-N	251.326	1.917	10	20	CDCD	
COC(=O)[C@H](C)NCc1ccc(Br)cc1O	691451452	BKFWGVQHZJZNTO-ZETCQYMHSA-N	288.141	1.806	10	20	CDCD	
CC[C@@](C)(O)CNCc1ccc(N2CCOCC2)cc1	96478678	UXHUHXGESJJZBR-MRXNPFEDSA-N	278.396	1.774	10	20	CDCD	
COc1ccc(N2CCN(Cc3nc[nH]n3)CC2)cc1F	1327511293	GUQVINUYSRGXJZ-UHFFFAOYSA-N	291.330	1.275	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NC2(C(=O)O)CC2)cc1F	1256441411	SZMYZCQXXRVMQB-UHFFFAOYSA-N	295.314	1.308	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NCCCCN)cc1	1261374359	HCTMHPPRJFYGAJ-UHFFFAOYSA-N	264.373	1.291	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NC[C@@H](C(=O)O)C(C)C)c1	1263070915	LUBLULLWLFQVAS-GFCCVEGCSA-N	294.351	1.857	10	20	CDCD	
Nc1ccc(CNC(=O)[C@@H]2CCc3n[nH]cc3C2)cc1	1342018760	BGPHKHXJRUJARY-LLVKDONJSA-N	270.336	1.413	10	20	CDCD	
C[C@@H](N[C@@H]1CCCCNC1=O)c1cc(C(=O)O)ccc1O	1604329854	ULBDNYZAKUAPHM-BXKDBHETSA-N	292.335	1.410	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC[C@]2(O)CCO[C@@H]2C)c1	228064983	VQDLSILAAOKLPF-FIXISWKDSA-N	281.352	1.591	10	20	CDCD	
C[C@@H](C(=O)O)N(Cc1cccc(F)c1O)C1CC1	1573381594	LFKUXIQQYSEAHG-QMMMGPOBSA-N	253.273	1.969	10	20	CDCD	
C[C@@H](NC[C@](C)(O)C1CC1)c1cc(C(=O)O)ccc1O	1593239262	CYMKYASSZBDGKU-PSLIRLAXSA-N	279.336	1.902	10	20	CDCD	
CNC(=O)CCCN(C)Cc1cc(OC)c(OC)cc1O	160479518	HJPSVFKSMKEUMB-UHFFFAOYSA-N	296.367	1.367	10	20	CDCD	
CC(C)NC(=O)CNCc1ccc2c(c1)CCCO2	921497981	XAWVPVDRKOZALJ-UHFFFAOYSA-N	262.353	1.626	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@]2(C)CCNC2)cc1	62899675	XOWHMPLRHVQMHS-HNNXBMFYSA-N	261.369	1.368	10	20	CDCD	
COC(=O)CCN(Cc1ccccc1O)C[C@H]1CCCO1	178692863	JLASZALZOSKQTK-CQSZACIVSA-N	293.363	1.936	10	20	CDCD	
O=C(NCc1ccc(N2CCCC2)cc1)[C@@]1(F)CCNC1	178711221	HHHDNSIHSLHGKM-MRXNPFEDSA-N	291.370	1.605	10	20	CDCD	
COCCN(C)CCN[C@H](C)c1ccc(F)c(F)c1O	187691997	JCSVZWHTTHELJN-SNVBAGLBSA-N	288.338	1.899	10	20	CDCD	
CC(C)=CCNC(=O)c1cc(NS(C)(=O)=O)ccc1O	191791499	NXHIJOKCZWKPGJ-UHFFFAOYSA-N	298.364	1.460	10	20	CDCD	
NC(=O)c1ccc(CNC(=O)c2cccc(O)c2O)cc1	192869157	FSJJXEQHCCADTQ-UHFFFAOYSA-N	286.287	1.127	10	20	CDCD	
CNCCCC(=O)NCc1ccc(N(C)C)c(F)c1	237180584	YXVHZSDVCJTVDD-UHFFFAOYSA-N	267.348	1.508	10	20	CDCD	
COC(=O)CCCNC(=O)c1ccc(C)c(O)c1O	267643850	ZWRCCXQXQZTOEM-UHFFFAOYSA-N	267.281	1.089	10	20	CDCD	
CN1CCCc2cc(CN3C(=O)NC4(CC4)C3=O)ccc21	272020929	AABZYJSFFUODFO-UHFFFAOYSA-N	285.347	1.653	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNC[C@H]2CCCCO2)c1O	278837860	JJGPFIQCVFTLMJ-LLVKDONJSA-N	296.323	1.968	10	20	CDCD	
Cc1ccc(C(=O)NCC2=CCN(C)CC2)c(O)c1O	273042774	VQVVRINCTXDUMR-UHFFFAOYSA-N	276.336	1.398	10	20	CDCD	
CC(C)N1CCN(C(=O)c2c(F)ccc(O)c2O)CC1	276612385	PSDQHQXQEJWZCR-UHFFFAOYSA-N	282.315	1.403	10	20	CDCD	
COCC[C@@H](CO)N[C@@H](C)c1cc(C(=O)OC)ccc1O	281484360	FYMOYFMIEVQCHY-JQWIXIFHSA-N	297.351	1.227	10	20	CDCD	
OCc1cn(CCCNCc2c(O)cccc2Cl)nn1	289865210	ORTNLRMYOQXCEP-UHFFFAOYSA-N	296.758	1.309	10	20	CDCD	
COc1cc(O)c(CN2CC[C@@](F)(CO)C2)cc1OC	802660733	VCQYHHMXLGEHRA-AWEZNQCLSA-N	285.315	1.316	10	20	CDCD	
CNc1ccc(C(=O)NCc2ccc(OC)cc2O)cn1	803291833	DFBXYXFOKKTNAY-UHFFFAOYSA-N	287.319	1.768	10	20	CDCD	
CC[C@H](O)CNC(=O)NCc1ccc2c(c1)CCCN2C	291900624	PVQRUXYFDVQABH-AWEZNQCLSA-N	291.395	1.639	10	20	CDCD	
O=C(NCc1ccc(N2CCCC2)cc1)N[C@H]1C[C@@H](O)C1	297126534	PNUFZWXSXODBGM-OTVXOJSOSA-N	289.379	1.609	10	20	CDCD	
CON(C)C(=O)CCN[C@H](C)c1ccc(N(C)C)cc1	808748236	KSSHAELXKLVMCC-GFCCVEGCSA-N	279.384	1.813	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NCC(F)(F)CN)c1	817966849	XAMZQTNHVMYWJV-MRVPVSSYSA-N	260.284	1.645	10	20	CDCD	
COc1cccc(CN(C)[C@@H]2CC(C)(C)OC2=O)c1O	814181418	ZTFCIVCARZRIOV-LLVKDONJSA-N	279.336	1.927	10	20	CDCD	
NC(=O)C1(NC(=O)c2cc(O)cs2)CCCCC1	822926356	HOTYXSLYZRYWJS-UHFFFAOYSA-N	268.338	1.372	10	20	CDCD	
COC(=O)C1(C)CN(Cc2cc3c(cc2O)OCO3)C1	822534781	WYMQOIOWXBKUOV-UHFFFAOYSA-N	279.292	1.116	10	20	CDCD	
CCOc1ccc(CN2CC(C)(C(=O)OC)C2)c(O)c1	822534840	YKLYOEYPYHQIED-UHFFFAOYSA-N	279.336	1.786	10	20	CDCD	
O=C(c1c(F)ccc(O)c1O)N1CC[C@H](C2OCCO2)C1	900458362	UIENCEDBYJIDFW-QMMMGPOBSA-N	297.282	1.072	10	20	CDCD	
CO[C@@H]1CN(Cc2ccc(N(C)C)c(F)c2)C[C@H]1O	825016793	IPIXTTOLZSIDCN-ZIAGYGMSSA-N	268.332	1.083	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)CN(C)C(=O)O	737021622	ZFVYSKSDYGIMSM-UHFFFAOYSA-N	280.324	1.741	10	20	CDCD	
Cc1ccc(C(=O)N(C)[C@@H]2CCN(C(C)C)C2)c(O)c1O	837187237	YDIZLTWMDLNXSR-GFCCVEGCSA-N	292.379	1.961	10	20	CDCD	
C[C@@H]1O[C@H](C)C[C@@H]1CNC(=O)c1c(F)ccc(O)c1O	839844394	GVCPMUPYDCNALH-HRDYMLBCSA-N	283.299	1.780	10	20	CDCD	
Cc1ccc(C(=O)OCCc2cncn2C)c(O)c1O	837485313	NXWGTQMXPWEQFG-UHFFFAOYSA-N	276.292	1.539	10	20	CDCD	
CCN(C)c1ccc(CN2CCN(C(C)=O)CC2)cc1	741752926	IXWNAYCLZYNAAE-UHFFFAOYSA-N	275.396	1.807	10	20	CDCD	
Cc1nc(O)[nH]c1C(=O)NCc1ccc(N(C)C)c(F)c1	847405208	BLNIDHZIXUTDEH-UHFFFAOYSA-N	292.314	1.559	10	20	CDCD	
COc1ccc(O)c(CNC(=O)C2(C(=O)O)CCCC2)c1	911387370	QEMSREVIUSZFDK-UHFFFAOYSA-N	293.319	1.662	10	20	CDCD	
CCONC(=O)CNCc1cccc(Cl)c1O	846095571	YPUQXIDCTOIBOK-UHFFFAOYSA-N	258.705	1.203	10	20	CDCD	
COc1ccc(CNC(=O)[C@H]2CC(C)=NO2)c(O)c1	846949921	KPULFEDBTALPJC-GFCCVEGCSA-N	264.281	1.182	10	20	CDCD	
COC1(CC(=O)NCc2ccc(O)cc2O)CCC1	910948111	UKPBCLSJQRSBIK-UHFFFAOYSA-N	265.309	1.673	10	20	CDCD	
C[C@H]1CN(Cc2ccc(N3CCOCC3)cc2)CC[C@H]1N	843052858	WSMMSBBTPOIZII-WMLDXEAASA-N	289.423	1.692	10	20	CDCD	
CCN1C(=O)C(C)(C)N[C@@H]1c1cc(C(=O)OC)ccc1O	840832263	AMBNWYXWGBYGRI-LBPRGKRZSA-N	292.335	1.408	10	20	CDCD	
CCN(CC1CC1)S(=O)(=O)NCCc1ccc(N)cc1	842822510	XJAFTUZIDRGZDZ-UHFFFAOYSA-N	297.424	1.378	10	20	CDCD	
CC(C)C[C@@H](CN)NC(=O)N(C)Cc1ccccc1O	841953591	JSHLPSMRBYQLTL-ZDUSSCGKSA-N	279.384	1.907	10	20	CDCD	
C[C@H]1COCCN1C(=O)NCCc1ccc(N)cc1	841955959	SIGRSNFSGHKBQH-NSHDSACASA-N	263.341	1.242	10	20	CDCD	
C[C@@H](NC(=O)NC(C)(C)CN)c1ccc(N(C)C)cc1	841882836	ORDTWUZAXHKGSU-LLVKDONJSA-N	278.400	1.850	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N(C)C2CC(N)C2)cc1	841652433	DOBUMBXOAVWTJL-UHFFFAOYSA-N	276.384	1.384	10	20	CDCD	
COc1cccc([C@@H](C)N[C@H](CO)C2CCOCC2)c1O	846162989	KARWPGFXNLXRIR-BXUZGUMPSA-N	295.379	1.839	10	20	CDCD	
CCO[C@H]1COCC[C@H]1NCc1cc2c(cc1O)OCO2	759174051	UFJPWOARZHGPFE-ABAIWWIYSA-N	295.335	1.405	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)N[C@@H](C)c2cnn(C)c2)c1	858245049	BNNKMQCBJXWYRD-NSHDSACASA-N	288.351	1.995	10	20	CDCD	
CCOC(=O)[C@H](C)OC(=O)c1cccc(O)c1O	758562237	RSKCWHRSYMPVJX-ZETCQYMHSA-N	254.238	1.206	10	20	CDCD	
Cc1cc(COC(=O)/C=C/c2ccc(O)c(O)c2)nn1C	759588653	NCCBAGJXVDPXLV-GQCTYLIASA-N	288.303	1.896	10	20	CDCD	
C[C@@H](NC(=O)NC[C@H]1COCCO1)c1ccccc1O	868118648	WQXFNELNGBDPGP-MNOVXSKESA-N	280.324	1.168	10	20	CDCD	
C[C@H]1CN(Cc2cc3c(cc2O)OC[C@@H]3O)CC(C)(C)O1	768441524	DBSYLOXVBRPXTE-HZMBPMFUSA-N	293.363	1.817	10	20	CDCD	
NCCCOCCNCc1c(O)ccc(Cl)c1F	863650598	WJDHHIFVYPROOI-UHFFFAOYSA-N	276.739	1.640	10	20	CDCD	
C[C@H]1CN(Cc2cc3c(cc2O)OC[C@H]3O)CCO1	768442593	UPPYBQLEORUDCF-TVQRCGJNSA-N	265.309	1.039	10	20	CDCD	
CN(Cc1cc2c(cc1O)OC[C@@H]2O)[C@H]1CCOC1	768448091	BKRVGTSVDVJQNL-GWCFXTLKSA-N	265.309	1.039	10	20	CDCD	
CNS(=O)(=O)[C@H]1CCCN(Cc2c(C)cccc2O)C1	876735784	HTZQODPUWXBQME-LBPRGKRZSA-N	298.408	1.214	10	20	CDCD	
C[C@@H](NC(=O)[C@@H](C)n1cncn1)c1ccc(N(C)C)cc1	773008614	HNBZUFRNYAPPJD-VXGBXAGGSA-N	287.367	1.783	10	20	CDCD	
C[C@H](NC(=O)CN1CCOCC1)c1ccc(N(C)C)cc1	775403436	IWNRCLGAJSODPX-ZDUSSCGKSA-N	291.395	1.262	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)C(=O)NC1CC=CC1	1118273517	IOEUYHIMWAVESR-UHFFFAOYSA-N	274.320	1.185	10	20	CDCD	
OC1CCN(c2ccc(CN[C@H]3CCC[C@@H]3O)cc2)CC1	877700677	SSOWZRXOPQHVLA-IRXDYDNUSA-N	290.407	1.651	10	20	CDCD	
Cn1nc2c(c1NC(=O)c1cccc(O)c1O)CCCC2	870879298	CUKFDAVOWTUACU-UHFFFAOYSA-N	287.319	1.962	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NCCC[C@@H](C)CO)c1	875429284	HZGVWHIPUGOVIK-GFCCVEGCSA-N	280.368	1.908	10	20	CDCD	
CCc1nc(C(=O)NCc2cccc(OC)c2O)co1	773408099	QCRKJWLJEBGURP-UHFFFAOYSA-N	276.292	1.881	10	20	CDCD	
Cn1ncc2c1CCC[C@H]2NC(=O)NCc1ccc(N)cc1	1120482045	VFACKIFYKPIIOU-CQSZACIVSA-N	299.378	1.879	10	20	CDCD	
O=C(NC[C@H]1C=CCC1)c1c(F)ccc(O)c1O	881498279	LOENHMSRQIAQJY-QMMMGPOBSA-N	251.257	1.933	10	20	CDCD	
C[C@H]1CCN(C(=O)NCc2ccc(N)cc2)C[C@H]1CO	1120584560	NBVWXUXGFIBLHL-AAEUAGOBSA-N	277.368	1.429	10	20	CDCD	
C[C@H](NCc1ccc(N2CCN(C)CC2)cc1)C(C)(C)O	898125660	KNFOTHDFAWMAKP-AWEZNQCLSA-N	291.439	1.687	10	20	CDCD	
COC(=O)[C@@H]1CCN(Cc2cc3c(cc2O)OCO3)[C@@H]1C	787246037	PUQLAWNGRSHJJV-MWLCHTKSSA-N	293.319	1.504	10	20	CDCD	
CO[C@@]1(C(=O)NCCc2ccc(O)c(O)c2)CCSC1	897067772	KMPFPYWXYGMOBV-AWEZNQCLSA-N	297.376	1.279	10	20	CDCD	
COc1ccnc(C(=O)NCc2ccc(OC)cc2O)c1	794373670	KXURCRZSTDVNPD-UHFFFAOYSA-N	288.303	1.734	10	20	CDCD	
O=C1N[C@H]2CCN(Cc3cc(Cl)ccc3O)C[C@@H]2CO1	798957949	UTIARUQRSILOFS-PWSUYJOCSA-N	296.754	1.976	10	20	CDCD	
C[C@H]1CN(C(=O)c2cc(O)cs2)C[C@@]2(CCOC2)O1	796191777	ANBBAMUTAPCLIL-TVQRCGJNSA-N	283.349	1.474	10	20	CDCD	
O=C(CN1CCCC1=O)Nc1c(Cl)ccc2nonc12	1323708081	VHQCIQSKDDIWHV-UHFFFAOYSA-N	294.698	1.437	10	20	CDCD	
CCOCC(C)(C)NC(=O)NCc1ccc(N)cc1	1335723814	BVOWSTAOEASNSI-UHFFFAOYSA-N	265.357	1.883	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@H](O)c2ccccn2)cc1	1335491270	JRWYJIQRSVVZQW-HNNXBMFYSA-N	285.347	1.497	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)CO[C@@H]1CCOC1	1330807928	PYHGFKHDVJJDPT-OAHLLOKOSA-N	292.379	1.483	10	20	CDCD	
C[C@@H]1CCCN(C(=O)NCc2ccc(N)cc2)[C@@H]1CCO	1337070311	MOHLAOCTJWNONL-IUODEOHRSA-N	291.395	1.961	10	20	CDCD	
CN(C)c1ccc(CN[C@@H](C[C@H]2CCCO2)C(=O)O)cc1	1350653059	MBXSOMQXWRRHDC-CABCVRRESA-N	292.379	1.865	10	20	CDCD	
O=C(NCc1cccc(O)c1O)[C@H]1CSCCS1	1528771721	VTTOYSJNUICBKS-SNVBAGLBSA-N	285.390	1.563	10	20	CDCD	
O=C(O)[C@]1(O)CCN(Cc2ccc(N3CCCC3)cc2)C1	1601723337	IDSHJAAGLTVMCM-INIZCTEOSA-N	290.363	1.308	10	20	CDCD	
Cn1cccc1C(=O)NCCc1ccc(O)c(O)c1	120426745	WINGBLHBLCRXID-UHFFFAOYSA-N	260.293	1.409	10	20	CDCD	
O=C(Cc1ccc(O)c(O)c1)NC1(C(=O)O)CCCCC1	1574534570	KIQFLHDJBYOEOX-UHFFFAOYSA-N	293.319	1.544	10	20	CDCD	
CO[C@@H]1CCN(Cc2ccc(C)cc2O)[C@@H](C(=O)O)C1	1599125047	YNBZPZATKURYBQ-CHWSQXEVSA-N	279.336	1.765	10	20	CDCD	
CC[C@H](N[C@@H]1CCN(c2ccc(OC)cc2)C1)C(=O)O	1595284151	PZYWTEABPCSITE-RISCZKNCSA-N	278.352	1.727	10	20	CDCD	
C[C@@H](C(N)=O)N(C)Cc1ccc(N2CCCCC2)cc1	15571604	SMGUKKMMOVYFQL-ZDUSSCGKSA-N	275.396	1.983	10	20	CDCD	
C[C@@H]1CC(=O)CC[C@H]1C(=O)NCCc1ccc(O)c(O)c1	159828024	RYVRBVCWFWYCOM-ZWNOBZJWSA-N	291.347	1.762	10	20	CDCD	
CCOC(=O)C1CCN(C(=O)Cc2ccc(N)cc2)CC1	20185715	HSTKZGSAVOSBJW-UHFFFAOYSA-N	290.363	1.613	10	20	CDCD	
c1cc(N2CCOCC2)ccc1CNC[C@@H]1CCCO1	20092420	QBQMMJMEPQYOHU-INIZCTEOSA-N	276.380	1.792	10	20	CDCD	
COc1ccc(O)c(CN(C)[C@@H]2CCN(C)C2=O)c1	271830841	OSCLNSHQEQYALL-GFCCVEGCSA-N	264.325	1.063	10	20	CDCD	
Cc1cccc(CNc2cccc(S(N)(=O)=O)c2)c1O	164929833	KKLRMXFIHLWHAZ-UHFFFAOYSA-N	292.360	1.960	10	20	CDCD	
CO[C@H](CNC(=O)c1cccc(O)c1O)C1CC1	294444589	HGUSXLUJNOLJDO-LLVKDONJSA-N	251.282	1.253	10	20	CDCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@H]2NCc1nnn(C)n1	398065281	HJNHYHLMRUJJIB-VHSXEESVSA-N	273.340	1.562	10	20	CDCD	
Oc1ccccc1CN1CCN(C[C@H]2CCOC2)CC1	179583205	FABWQCLSFJWXRT-CQSZACIVSA-N	276.380	1.546	10	20	CDCD	
CCOCCCC(=O)NCc1cc(OC)ccc1O	114540513	UHEQZRPASZPMBU-UHFFFAOYSA-N	267.325	1.834	10	20	CDCD	
CCOCCNC(=O)CN(C)c1ccc(OC)c(F)c1	121759263	LLQMLEVHCGBREZ-UHFFFAOYSA-N	284.331	1.423	10	20	CDCD	
COc1ccc(O)c(CN[C@H](C)CCN(C)C)c1	49553725	AXAAQBYJYPRBNN-LLVKDONJSA-N	252.358	1.831	10	20	CDCD	
CN[C@@H]1CCN(Cc2cc(Cl)cc(OC)c2O)C1	229104642	HSQLPONXXBJWRF-LLVKDONJSA-N	270.760	1.848	10	20	CDCD	
COc1ccc(O)c(CN2CCN[C@@H](C)[C@@H]2C)c1	379448399	ZLMIFOCOXCFHPZ-QWRGUYRKSA-N	250.342	1.583	10	20	CDCD	
CN(C(=O)/C=C/c1cnn(C)c1)c1ccc(Cl)nn1	133547401	AZUGBNRAKGIJRX-ZZXKWVIFSA-N	277.715	1.540	10	20	CDCD	
Cn1cccc1C1=NN=C(NCC(F)(F)F)SC1	195202054	OETSTHGWDNFHIG-UHFFFAOYSA-N	276.287	1.984	10	20	CDCD	
O=S(=O)(Nc1ccc(O)c(Cl)c1)c1cn[nH]c1	85204639	MVZVDYMHDFWODW-UHFFFAOYSA-N	273.701	1.570	10	20	CDCD	
Cc1cc(O)c(CNC[C@@]2(O)CCOC2)cc1C	269974740	LTGRBPYJJIEKLB-AWEZNQCLSA-N	251.326	1.250	10	20	CDCD	
COc1ccc(O)c(CN[C@]2(CCO)CCOC2)c1	278590070	DUFMYDHILRGYLL-CQSZACIVSA-N	267.325	1.032	10	20	CDCD	
CCOc1cccc(CN[C@@]2(CCO)CCOC2)c1O	278493219	LTBQDLKWMNQDIY-HNNXBMFYSA-N	281.352	1.422	10	20	CDCD	
COc1cc(O)c(CN(C)[C@@H]2CCN(C)C2=O)cc1OC	271101058	PHRVXOHVZJDDKE-LLVKDONJSA-N	294.351	1.072	10	20	CDCD	
C[C@@H]1OCC[C@@]12CN(C(=O)c1cccc(O)c1O)CCO2	279853472	FZPDKXRHXIAQJV-ZUZCIYMTSA-N	293.319	1.118	10	20	CDCD	
CCN(Cc1nnn(C)n1)c1ccc(OC)c(OC)c1	281390194	DJCQLHIZTWTHNN-UHFFFAOYSA-N	277.328	1.254	10	20	CDCD	
Cc1c(/C=C/C(=O)N2C[C@H](CO)c3ccccc32)cnn1C	293852889	HSHLJALKSJGVPF-HSBSLETESA-N	297.358	1.864	10	20	CDCD	
C[C@H](N)[C@@H]1COCC[C@@H]1NCc1ccc(N(C)C)cc1	817894261	CLYRVDOLMPCVKO-RCBQFDQVSA-N	277.412	1.595	10	20	CDCD	
O=C(c1c(F)ccc(O)c1O)N1CCC[C@H](CCO)CC1	817770852	MRGSTAAQEXMMJH-JTQLQIEISA-N	297.326	1.862	10	20	CDCD	
CCOCC[C@@H](O)CNCc1ccc2c(c1)CCCN2C	818984536	BCFKYSXQZXCQEM-MRXNPFEDSA-N	292.423	1.946	10	20	CDCD	
C[C@@H](NC(=O)[C@@]1(C)CCNC1=O)c1ccccc1O	827955478	ABOCTOWTIBHCQQ-OTYXRUKQSA-N	262.309	1.096	10	20	CDCD	
C[C@@H](NC(=O)[C@@H]1CCN(C)C1=O)c1ccccc1O	827941435	RWBZTUQLJPKOCV-KOLCDFICSA-N	262.309	1.048	10	20	CDCD	
COc1ccc(CNC[C@H]2CCCN2CCCO)cc1C	824559562	VMCNKARQZUXDOM-MRXNPFEDSA-N	292.423	1.940	10	20	CDCD	
CC(C)(CN)C(=O)NCc1ccc(N2CCCC2)cc1	827005131	PQWBMIDGNNEVEP-UHFFFAOYSA-N	275.396	1.888	10	20	CDCD	
COC(=O)CC(=O)NCc1c(O)ccc2c1CCCC2	907059017	CTZJZNDXUMAIEH-UHFFFAOYSA-N	277.320	1.450	10	20	CDCD	
COc1ccc(CNC(=O)[C@H]2C[C@H]3CC(=O)[C@@H]2C3)c(O)c1	837593062	SBIRNAZLEFOLNY-BIMULSAOSA-N	289.331	1.632	10	20	CDCD	
COc1ccc([C@@H](O)CNC(=O)c2cc(O)cs2)cc1	731869101	LSVGVVXSOIULCM-LBPRGKRZSA-N	293.344	1.926	10	20	CDCD	
O=C(NCc1c(O)ccc2c1CCCC2)c1ncc[nH]1	830559503	PDGQGJNAMWQZJA-UHFFFAOYSA-N	271.320	1.924	10	20	CDCD	
C[C@@H](OC[C@@H]1CCCO1)C(=O)NCc1ccc(O)cc1O	910955185	OIQAIYODSFIAND-MFKMUULPSA-N	295.335	1.298	10	20	CDCD	
Nc1ccc(CCNC(=O)NCCC[C@H]2CCCN2)cc1	841955843	PLXJIQTUQMNFPX-OAHLLOKOSA-N	290.411	1.643	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCC(N)CC1	841828049	QKONRCLZWGKWPH-UHFFFAOYSA-N	290.411	1.694	10	20	CDCD	
COc1cccc(CNC(=O)NCc2cocn2)c1O	745810528	ZSWBFJMYVRGBQC-UHFFFAOYSA-N	277.280	1.388	10	20	CDCD	
CCCNCCNCc1ccc(N(C)C)c(F)c1	841047251	XZBKTPWWGUERPE-UHFFFAOYSA-N	253.365	1.981	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN[C@@H](CO)c1cnn(C)c1	840936595	MAXUGZVLRVPKRZ-INIZCTEOSA-N	288.395	1.618	10	20	CDCD	
COc1cccc(CNC(=O)NCCSC)c1O	745795123	CYEMXAXVJRPLSX-UHFFFAOYSA-N	270.354	1.563	10	20	CDCD	
COc1ccc(N2CCC(N[C@@H](CN)C3CC3)CC2)cc1	841027610	CWLLNZYFBZIBKJ-KRWDZBQOSA-N	289.423	1.991	10	20	CDCD	
COc1ccc(O)c(CN[C@H]2CCC[C@@H](N)C2)c1	841056774	DXGIUEWLUHBSFM-NEPJUHHUSA-N	250.342	1.760	10	20	CDCD	
CO[C@@H]1COC[C@H]1N[C@H](C)c1cc(F)cc(F)c1O	842909148	FYNGVDOHKMYPJR-NZXMKCKXSA-N	273.279	1.735	10	20	CDCD	
CCNCC(=O)N1CCN(c2ccc(OC)c(F)c2)CC1	844191029	OQUIOFFBNNINOJ-UHFFFAOYSA-N	295.358	1.092	10	20	CDCD	
CN(C)c1ccc(CN2CCC(N)CC2)cc1F	843047700	WPYNOUHBJBGEGK-UHFFFAOYSA-N	251.349	1.815	10	20	CDCD	
NCC[C@H](NC(=O)NCCc1ccc(N)cc1)C(F)F	841955601	HTOGYZPBZQOYHB-NSHDSACASA-N	286.326	1.093	10	20	CDCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NS(C)(=O)=O	841569644	MYPZLNWQKLXVQG-LLVKDONJSA-N	270.398	1.541	10	20	CDCD	
C[C@@H](N)[C@H]1CN(Cc2cccc(F)c2O)CCO1	843056796	AFCRYVZFFSENJO-BXKDBHETSA-N	254.305	1.079	10	20	CDCD	
O=C(CSc1nncs1)NCc1ccccc1O	748344886	DXMOATVJHXBTSD-UHFFFAOYSA-N	281.362	1.652	10	20	CDCD	
Cc1onc(CO)c1C(=O)NCc1ccc(N(C)C)cc1	847296736	OXIOWOOEKHERTH-UHFFFAOYSA-N	289.335	1.471	10	20	CDCD	
Cn1nnnc1CSc1ncc(-c2ccccc2)n1C	750527013	MMXIMVBPWSTKPY-UHFFFAOYSA-N	286.364	1.903	10	20	CDCD	
Nc1ccc(CCNC(=O)c2cnc3n2CCC3)cc1	851632501	QWKUOVVMUVCNIB-UHFFFAOYSA-N	270.336	1.384	10	20	CDCD	
Nc1nc(N)nc(NCCCSc2nccs2)n1	858408103	LXFZGORYOPTHSK-UHFFFAOYSA-N	283.386	1.087	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)N[C@@H](C)CNC)cc1	851655848	ZSZROFQYJXZOJL-ZDUSSCGKSA-N	292.427	1.940	10	20	CDCD	
CCOCCNC(=O)CN(C)c1ccc(OC)c(OC)c1	753387588	CEGPJAWOINBYLC-UHFFFAOYSA-N	296.367	1.293	10	20	CDCD	
CCOCCO[C@H](C)C(=O)NCc1cc(C)ccc1O	862758923	QMRFCQUWHOJCPJ-GFCCVEGCSA-N	281.352	1.758	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CCOC(=O)N2)c1	860243193	ZLZPWGICZCGSLY-LDYMZIIASA-N	294.307	1.077	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)c2cc3n(n2)CCCO3)c1	862757215	LKWUGTUOFKSBBY-UHFFFAOYSA-N	287.319	1.610	10	20	CDCD	
C[C@@H](NCc1nnnn1CC1CC1)c1ccc(F)cc1O	769985005	FWHOLXZKZDQJDT-SECBINFHSA-N	291.330	1.779	10	20	CDCD	
C[C@H]1NC(=O)N([C@H](C)c2ccc(N(C)C)cc2)C1=O	761576792	NSSZONOTXDCBHT-NXEZZACHSA-N	261.325	1.754	10	20	CDCD	
CC(=O)N[C@H](C(=O)NCc1cc(C)ccc1O)C(C)C	862761406	QBDLNCLTOXQSGL-AWEZNQCLSA-N	278.352	1.478	10	20	CDCD	
CC(C)[C@@]1(CO)CCN(C(=O)c2cc(O)cs2)C1	1118704144	YADSWYOJPAKTIQ-ZDUSSCGKSA-N	269.366	1.934	10	20	CDCD	
CN(C(=O)COC1CCNCC1)c1ccc(N)cc1	877076496	RCUMLCKLPIDIJN-UHFFFAOYSA-N	263.341	1.000	10	20	CDCD	
O=C(NCc1ccccc1O)c1cc([N+](=O)[O-])ccc1O	779676239	VLYOWWKDKXLDQK-UHFFFAOYSA-N	288.259	1.936	10	20	CDCD	
C[C@@H](NCC(=O)NC(=O)NC(C)(C)C)c1ccccc1O	879647430	CBDIZOSZZAIRNA-SNVBAGLBSA-N	293.367	1.667	10	20	CDCD	
CN1CCN(c2ccc(CNC3CCOCC3)cc2)CC1	771824977	UMAKEJKMRQFZKY-UHFFFAOYSA-N	289.423	1.707	10	20	CDCD	
C[C@@H](NC(=O)[C@H]1CCNC(=O)C1)c1ccc(N(C)C)cc1	773009561	KPBRLXPSHDBMJW-YPMHNXCESA-N	289.379	1.456	10	20	CDCD	
COc1cc(C)cc(CN2CCC(OCCO)CC2)c1O	1119507667	OWSVMCUVJDBRQC-UHFFFAOYSA-N	295.379	1.683	10	20	CDCD	
CO[C@@H]1COC[C@H]1NCc1cc(Cl)c(C)cc1O	1118577580	QZUDAFILLJIBMR-DGCLKSJQSA-N	271.744	1.857	10	20	CDCD	
CC1CCN(C(=O)COC(=O)c2cccc(O)c2O)CC1	776282956	ZJFBWLGTUMSYTD-UHFFFAOYSA-N	293.319	1.513	10	20	CDCD	
COC(=O)[C@@H](O)C1CCN(Cc2ccc(N)cc2)CC1	1120370916	JVBRYQJHBUFUPE-AWEZNQCLSA-N	278.352	1.015	10	20	CDCD	
C[C@@H]1C[C@@H](O)CN1C(=O)NCc1ccc(N(C)C)c(F)c1	788314207	SEOULGZOAWPMRZ-ZYHUDNBSSA-N	295.358	1.556	10	20	CDCD	
CC(=O)c1cc(Cl)cc(Cn2cc(CCO)nn2)c1O	880999945	VGPULAAHLREEDE-UHFFFAOYSA-N	295.726	1.423	10	20	CDCD	
COC(=O)COc1ccc(N(C)C[C@@H]2CCOC2)cc1	784560755	MTNIBEROAUPLMX-LBPRGKRZSA-N	279.336	1.711	10	20	CDCD	
CNC(=O)N1CCN(Cc2cc(C)cc(OC)c2O)CC1	894057743	MHHVATRRBVBGNA-UHFFFAOYSA-N	293.367	1.166	10	20	CDCD	
CC[C@@H](CN1CCOCC1)NCc1cccc(C)c1O	896622979	XQEWISIAQWHSAI-HNNXBMFYSA-N	278.396	1.901	10	20	CDCD	
CN(CCCF)C(=O)NCCc1ccc(N)cc1	892038975	MWPDFUQFOACMAM-UHFFFAOYSA-N	253.321	1.812	10	20	CDCD	
COc1ccc(CN2CCOCC2)c(O)c1OC	891389073	AXRACBWFTPMCRE-UHFFFAOYSA-N	253.298	1.242	10	20	CDCD	
C[C@@H](N[C@@H]1CC(=O)N(C)C1)c1ccc(F)cc1O	273554445	GMRFHZKSSMKWQI-PSASIEDQSA-N	252.289	1.413	10	20	CDCD	
COCCO[C@H]1CCN(Cc2cccc(OC)c2O)C1	188826136	QLKBCEXGWBZTCX-ZDUSSCGKSA-N	281.352	1.638	10	20	CDCD	
Cc1cnn(C)c1/C=C1\SC(=S)N(CC(=O)O)C1=O	794685535	IBKXUGNLWGDCLQ-BAQGIRSFSA-N	297.361	1.014	10	20	CDCD	
COCc1nocc1C(=O)NCc1cc(C)ccc1O	1330123798	GWXWEASKYDYKGQ-UHFFFAOYSA-N	276.292	1.765	10	20	CDCD	
C[C@H]1C[C@@H](N)CN1C(=O)NCc1ccc(N(C)C)cc1	1334160806	HEVGGSPDSVKFDP-WCQYABFASA-N	276.384	1.384	10	20	CDCD	
CCOc1ccc(N2CCN(C[C@@H](O)CC)CC2)cc1	1256559951	IXJWTABXFDGTPO-HNNXBMFYSA-N	278.396	1.978	10	20	CDCD	
OCCCSCCNCc1cc2c(cc1O)OCO2	222941305	GRGMXYGPCDUNRB-UHFFFAOYSA-N	285.365	1.326	10	20	CDCD	
Cc1ccc(C(=O)N[C@H]2CC[C@@H](CC(=O)O)C2)c(O)c1O	1600342702	UYTJAHUPUMBRCW-ZJUUUORDSA-N	293.319	1.779	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NCc2cc(N)ccn2)c1	1579723318	IZRHFOLOSZXXTL-UHFFFAOYSA-N	286.335	1.677	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@H](C(=O)O)C(C)C)c1O	1594048090	JWSIMYUTSQFEFG-JTQLQIEISA-N	298.295	1.508	10	20	CDCD	
CCN(C)c1ccc(CNC[C@@H](F)C(=O)O)c(C)c1	1776856499	GTDUGINURPOVTB-CYBMUJFWSA-N	268.332	1.963	10	20	CDCD	
COc1cccc(CN[C@H](C)C[S@](C)=O)c1O	168191316	YNDLLXRSCJYQTN-VVVCHXIZSA-N	257.355	1.257	10	20	CDCD	
Nc1ccc(CC(=O)NCCC[C@@H]2CCCN2)cc1	834849153	RCVNDTFMIBCNOA-AWEZNQCLSA-N	261.369	1.460	10	20	CDCD	
COc1ccc(N(C)CC(=O)NC(=O)NC2CC2)cc1	844353296	LQCMFPBTWVQCKF-UHFFFAOYSA-N	277.324	1.120	10	20	CDCD	
C[C@@H]1O[C@H](C)[C@@H](C(=O)NCc2ccc(N)cc2)[C@H]1C	252684422	QWNOPGFWQYOVKY-DYNIEEOBSA-N	262.353	1.945	10	20	CDCD	
COc1ccc(O)c(CN2C[C@@H]3CCC[C@]3(CN)C2)c1	381148086	KYFSCIYKXHUKDU-BBRMVZONSA-N	276.380	1.962	10	20	CDCD	
CNC(=O)[C@H]1CCCN1Cc1cc(F)cc(C(C)=O)c1O	50154508	JQKBUVULTMUUPW-CYBMUJFWSA-N	294.326	1.444	10	20	CDCD	
CCC[C@@]1(C)C(=O)NCCN1Cc1cccc(OC)c1O	189038636	YYHPNYPIWWCKAD-INIZCTEOSA-N	292.379	1.891	10	20	CDCD	
Cc1cc(C(=O)NC[C@@H](C)N)c(C)n1-c1ccccn1	194932794	OCXOGMPEOFTCRI-SNVBAGLBSA-N	272.352	1.566	10	20	CDCD	
CN1CCC[C@@H]1CNCc1cc([N+](=O)[O-])ccc1O	237081047	SKVVOBILRRCDKS-GFCCVEGCSA-N	265.313	1.484	10	20	CDCD	
Nc1ccc(NC(=O)C2CCN(c3cnccn3)CC2)cc1	237970844	VVNJQJZNZUFQTR-UHFFFAOYSA-N	297.362	1.914	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@H]2C[C@H]3CC[C@H]2O3)cc1	265121824	YYEWSUQEVYTBPX-QLFBSQMISA-N	274.364	1.936	10	20	CDCD	
C[C@@H](C(=O)NCc1ccccc1O)N(C)CC(F)(F)F	279710304	ASGNHYDZNROLGH-VIFPVBQESA-N	290.285	1.891	10	20	CDCD	
Cn1cc(N2CC[C@H](NCc3ccc4c(c3)CCO4)C2)cn1	374247944	SNBHNEYKJFKWTM-HNNXBMFYSA-N	298.390	1.724	10	20	CDCD	
CCCN(Cc1cccc(C)c1O)[C@H]1CC(=O)N(C)C1=O	283081972	RHZUZNGFJIABRE-ZDUSSCGKSA-N	290.363	1.670	10	20	CDCD	
Cc1ccc([C@H](C)NC[C@@H](CO)[C@@H]2CCOC2)c(O)c1	280875754	NZQJQXFOUNTIOY-MJBXVCDLSA-N	279.380	1.996	10	20	CDCD	
O=C(c1c(F)ccc(O)c1O)N1CCC[C@H](CO)CC1	295586993	LXOFHVKNCWTJBU-VIFPVBQESA-N	283.299	1.472	10	20	CDCD	
COC(=O)c1cnc(SCCOCCO)s1	295337738	POBCYLFNKXYGEF-UHFFFAOYSA-N	263.340	1.031	10	20	CDCD	
CCOC1CC(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)C1	291581476	CIJNUEXHLDTLAE-PKSQDBQZSA-N	293.363	1.960	10	20	CDCD	
Cc1cc(C)c([C@H](C)N[C@@H]2CC(=O)N(C)C2)c(O)c1	293754884	OLUCFPSKDUFODE-NWDGAFQWSA-N	262.353	1.890	10	20	CDCD	
COc1cc(Cl)cc(CN2CC[C@](F)(CO)C2)c1O	802661047	FHVVVMGDHRDCMB-CYBMUJFWSA-N	289.734	1.961	10	20	CDCD	
CC(=O)C(=O)COC(=O)c1cccc(OC(F)F)c1	808487466	LUKIWKPPSVOZTI-UHFFFAOYSA-N	272.203	1.603	10	20	CDCD	
C[C@H](CO)N(C)Cc1ccc(N2CCN(C)CC2)cc1	809746721	ZPISNUZREFSVJV-CQSZACIVSA-N	277.412	1.251	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC1CCS(=O)(=O)CC1	812833816	YAPASXQYMZTTTM-UHFFFAOYSA-N	296.436	1.728	10	20	CDCD	
N[C@H]1CCC[C@H]1NCc1ccc(N2CCOCC2)cc1	817894916	OWCDFCOVHGJGKK-JKSUJKDBSA-N	275.396	1.493	10	20	CDCD	
CC1(C)C[C@@H]1N1C(=O)CN(Cc2ccccc2O)C1=O	819169805	PINCIHHVKAXKII-LBPRGKRZSA-N	274.320	1.955	10	20	CDCD	
CC[C@@H](NC[C@H]1CNCCO1)c1ccccc1O	817982539	DZMQYRSDBGJOEE-DGCLKSJQSA-N	250.342	1.421	10	20	CDCD	
CN(Cc1ccc(N(C)C)c(F)c1)Cc1cn(C)nn1	827305169	OVKDOMAEONMWQT-UHFFFAOYSA-N	277.347	1.652	10	20	CDCD	
CCc1nncn1CCN[C@H]1CCc2cccc(O)c21	834606192	FSCDAXAIUABMME-LBPRGKRZSA-N	272.352	1.823	10	20	CDCD	
O=C(NCCC[C@H]1CCOC1)c1c(F)ccc(O)c1O	839789333	YQUHFOMFDORYSJ-VIFPVBQESA-N	283.299	1.783	10	20	CDCD	
C[C@@H]1C[C@@H](CNC(=O)c2cc(O)cs2)[C@@H](C)O1	839852436	VSWDYBMGMBJUMU-HLTSFMKQSA-N	255.339	1.997	10	20	CDCD	
COc1ccc(N2CC[C@@H](CNCC[N+](=O)[O-])C2)cc1	905289427	IBCDIKBPVKWUHR-LBPRGKRZSA-N	279.340	1.388	10	20	CDCD	
CCc1cc(C(=O)NCc2ccc(O)cc2O)n(C)n1	910957043	NZYAMTBSOMDLDO-UHFFFAOYSA-N	275.308	1.324	10	20	CDCD	
CN1CCCc2cc(CNC(=O)c3ncccn3)ccc21	743325609	POWQRUKMHAUTAV-UHFFFAOYSA-N	282.347	1.789	10	20	CDCD	
Cc1cc(O)c(CN2CCN(C)C[C@@H]2CN)cc1C	843120888	XMBGNFXCLJOJRL-AWEZNQCLSA-N	263.385	1.084	10	20	CDCD	
CO[C@@H]1COC[C@H]1NCc1cc(Cl)cc(F)c1O	843427445	BDVFAQMUBZZMCS-GHMZBOCLSA-N	275.707	1.688	10	20	CDCD	
C[C@@H]1C[C@H](N)CCN1Cc1cc2c(cc1O)OCO2	846699520	UCJNJBZCZOAQCY-MWLCHTKSSA-N	264.325	1.433	10	20	CDCD	
Cc1cc(C(=O)NCc2ccc(O)cc2O)c(C)n1C	910958902	XYQXROLCRPQQME-UHFFFAOYSA-N	274.320	1.983	10	20	CDCD	
CN1CCN=C1NCc1ccc(N2CCSCC2)cc1	848993559	KEBREQKSXYWROO-UHFFFAOYSA-N	290.436	1.631	10	20	CDCD	
COC(=O)[C@H](C)N[C@@H](C)c1ccc(N2CCOCC2)cc1	743472810	KHEQTYZTHMNKET-STQMWFEESA-N	292.379	1.735	10	20	CDCD	
COc1cccc(CNC[C@]2(C)CCCNC2)c1O	841058380	WRTQNRISXTYLJF-OAHLLOKOSA-N	264.369	1.880	10	20	CDCD	
C[C@H](CC(N)=O)N[C@H]1C[C@@H](C)c2c(F)ccc(O)c21	756659287	COIUSXHYBBFEKV-MRTMQBJTSA-N	266.316	1.933	10	20	CDCD	
CON(C)C(=O)[C@@H](C)N[C@H](C)c1cc([N+](=O)[O-])ccc1O	858588008	VHCOFLABPGAEOU-RKDXNWHRSA-N	297.311	1.359	10	20	CDCD	
Cc1nnc2n1C[C@@H](C(=O)NCc1ccccc1O)CC2	750788239	MDYXQVQRBJFKBR-LBPRGKRZSA-N	286.335	1.171	10	20	CDCD	
C[C@@H](NCc1cnon1)c1ccc(N2CCOCC2)cc1	851899147	YPOUWZVIASOMNZ-GFCCVEGCSA-N	288.351	1.757	10	20	CDCD	
CCOc1ccc(CN2CCCC[C@H]2C(N)=O)c(O)c1	768179984	QVZDXEHBQPAQLJ-ZDUSSCGKSA-N	278.352	1.631	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)c1cnc(C2CC2)[nH]1	1119586600	MASHQXAIFJBIJC-UHFFFAOYSA-N	273.292	1.628	10	20	CDCD	
CCN1CCN(Cc2cc(OC)c(OC)cc2O)C[C@@H]1C	775686353	IHXHJTYVLDTXHA-LBPRGKRZSA-N	294.395	1.935	10	20	CDCD	
COCCS(=O)(=O)N[C@@H](C)c1ccc(N(C)C)cc1	773083344	FXTXJOQEFWBNBY-NSHDSACASA-N	286.397	1.379	10	20	CDCD	
CCC[C@@](C)(O)CNCc1ccc([N+](=O)[O-])c(OC)c1O	775012701	RXAHPVOSYVDFKN-CQSZACIVSA-N	298.339	1.950	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@H]2[C@H]3CCCO[C@H]32)cc1F	779882326	UGUZKRWHGNOALI-KCPJHIHWSA-N	292.354	1.933	10	20	CDCD	
Cc1ccc([C@H](C)NCc2nnn(C)n2)c(O)c1C	787044893	WUEHZTNADLAEFE-JTQLQIEISA-N	261.329	1.383	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CN2C[C@H]3C[C@H]3C2)cc1	886341430	VBXTVQAPTBVQPJ-OKILXGFUSA-N	273.380	1.321	10	20	CDCD	
CC(C)[C@H]1C(=O)NCCN1Cc1cc(F)cc(F)c1O	894000475	FUZSVHSMVOVCKJ-LBPRGKRZSA-N	284.306	1.627	10	20	CDCD	
COc1cc(C)cc(CN(C)[C@@H](C)C[S@@](C)=O)c1O	894453299	OCNSUYCMGNAMMT-JEOXALJRSA-N	285.409	1.908	10	20	CDCD	
C/C=C\C(=O)NCc1ccc(N2CCN(C)CC2)cc1	893607138	DEEONHJNFRHFSD-ARJAWSKDSA-N	273.380	1.631	10	20	CDCD	
COc1ccc(CNC(=O)NC2CC=CC2)c(O)c1	792996880	VBGPPOIVUDRZBX-UHFFFAOYSA-N	262.309	1.919	10	20	CDCD	
CN(CCC(N)=O)Cc1ccc(Br)cc1O	701193505	RDQYSBWOWVCNRO-UHFFFAOYSA-N	287.157	1.462	10	20	CDCD	
COc1ccc(CNC(=O)NO[C@@H]2CCCCO2)c(O)c1	793159410	OCBNPHFIDKHJGY-CYBMUJFWSA-N	296.323	1.658	10	20	CDCD	
Cc1cc(NC(=O)c2cccc(O)c2O)c(=O)n(C)c1	790891552	OMYYIPZUYADQDP-UHFFFAOYSA-N	274.276	1.357	10	20	CDCD	
CO[C@H](C)CS(=O)(=O)N(C)Cc1ccccc1O	799773877	DKTSZEWJLXHTAE-SNVBAGLBSA-N	273.354	1.189	10	20	CDCD	
COc1cccc(O)c1CNCCC[S@](C)=O	735085301	QAYPUJITPTVNHT-KRWDZBQOSA-N	257.355	1.259	10	20	CDCD	
CS(=O)(=O)CCCCNCc1c(O)cccc1Cl	692819984	TYHQLQWKPISAFL-UHFFFAOYSA-N	291.800	1.960	10	20	CDCD	
CC(=O)N1CC[C@@H](NCc2ccc(N3CCCC3)cc2)C1	1169497673	ZVRVEOIETQMNPF-MRXNPFEDSA-N	287.407	1.997	10	20	CDCD	
CCOC(=O)c1cc(CNCc2ccccc2O)[nH]n1	1326614447	OBEXJNZTXORQSZ-UHFFFAOYSA-N	275.308	1.582	10	20	CDCD	
O=C1CC[C@@H]2CN(Cc3c(O)cccc3Cl)CCN12	211586853	ZJJYOASEWOVFGR-SNVBAGLBSA-N	280.755	1.852	10	20	CDCD	
CCc1c(C(=O)NCc2cccc(O)c2O)cnn1C	1347232777	BPJRHOMXCYIADH-UHFFFAOYSA-N	275.308	1.324	10	20	CDCD	
CC[C@@H](O)[C@@H](C)C(=O)NCc1cccc(O)c1O	1350299905	KPPALHKXKFLWIW-PSASIEDQSA-N	253.298	1.121	10	20	CDCD	
CC[C@](C)(CC(=O)O)NC(=O)c1cccc(O)c1O	1604902013	NWHAASDTLMHYCO-CYBMUJFWSA-N	267.281	1.471	10	20	CDCD	
C[C@H](NCCn1cc(C(=O)O)nn1)c1cc(F)ccc1O	1609780803	PGWFQJWLAMBQSR-QMMMGPOBSA-N	294.286	1.172	10	20	CDCD	
COc1ccc(CN[C@]23CCC[C@H]2NCC3)c(O)c1OC	1579218006	MNVYQQIRDBAFFP-CJNGLKHVSA-N	292.379	1.784	10	20	CDCD	
NC1(C(=O)NCc2ccc(O)cc2O)CCCCC1	1580139473	YABVJVHHBUCNJM-UHFFFAOYSA-N	264.325	1.376	10	20	CDCD	
C[C@H](/C=C\C(=O)O)NC(=O)c1ccc(N=NC(N)=O)cc1	1592202504	CZWKJXLOBSKNHZ-HFYLGEJWSA-N	290.279	1.608	10	20	CDCD	
CC[C@@](C)(CC(=O)O)NC(=O)Cc1ccc(O)c(O)c1	1594821212	QXRPMAVSVMOKOP-AWEZNQCLSA-N	281.308	1.400	10	20	CDCD	
CCN(CCO)Cc1cccc(Br)c1O	127963132	CUTIPCCYPQSJAQ-UHFFFAOYSA-N	274.158	1.969	10	20	CDCD	
CS[C@@H](CO)[C@H](C)NCc1c(C)cccc1O	877049972	WMLSAADOCAYHRS-GWCFXTLKSA-N	255.383	1.903	10	20	CDCD	
Cc1cccc(O)c1CNCCOC[C@@H]1CCCO1	877045622	YHUBZJFLZCKWRR-ZDUSSCGKSA-N	265.353	1.986	10	20	CDCD	
Cc1cccc(O)c1CN(C)[C@@H]1CCN(S(C)(=O)=O)C1	877545219	HDTDRXLLSMWTOJ-GFCCVEGCSA-N	298.408	1.166	10	20	CDCD	
Cc1ccc(CNCCS(=O)(=O)C(C)C)c(O)c1	877536497	SKUIEOASNOAGAS-UHFFFAOYSA-N	271.382	1.613	10	20	CDCD	
C[C@@H](NC[C@@H](O)CN(C)C)c1ccc(N(C)C)cc1	305109980	FKRTVJBWPYNDQB-IUODEOHRSA-N	265.401	1.326	10	20	CDCD	
NC(=O)C1CCN(Cc2cc(Cl)ccc2O)CC1	6321037	NPGXCEZOANBGOX-UHFFFAOYSA-N	268.744	1.743	10	20	CDCD	
CN(CCC(=O)O)Cc1ccc(N2CCC(O)CC2)cc1	108245206	RXZSQTXJSYWYLZ-UHFFFAOYSA-N	292.379	1.554	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N(C)CC[C@H](C)O	305148074	YYVJUMPOOBFKLF-ZDUSSCGKSA-N	293.411	1.973	10	20	CDCD	
CC(C)(O)CNCc1ccc(N2CCOCC2)c(F)c1	111385921	ZSFVIZHQLAFYED-UHFFFAOYSA-N	282.359	1.523	10	20	CDCD	
Cc1cc(C(=O)N2CC[C@@H](CN)C2)c(C)n1-c1ccccn1	178568349	AOWRWRDTGKEYDI-AWEZNQCLSA-N	298.390	1.910	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCOC2(CCCC2)C1	279830620	NEBLVWDWSAXZAI-UHFFFAOYSA-N	277.320	1.883	10	20	CDCD	
CO[C@@]1(CN[C@@H](C)c2ccccc2O)CCOC1	123273295	VVBMCXOHQDRXEL-SMDDNHRTSA-N	251.326	1.848	10	20	CDCD	
CN1CCN(Cc2c(O)ccc3ccccc23)CC1=O	127333945	YNCQDXIKEFLYQI-UHFFFAOYSA-N	270.332	1.819	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CC[C@@H]([C@@H]2CCOC2)C1	375694628	YLHBDDXDNUAPOU-GHMZBOCLSA-N	277.320	1.596	10	20	CDCD	
O=[N+]([O-])c1ccc(O)c(CNC[C@H]2CC[C@@H](O)C2)c1	188815300	CPLSEDKZMFMGRI-JOYOIKCWSA-N	266.297	1.551	10	20	CDCD	
CN(C)c1ccc([C@H](CNC(=O)NC2CC2)N(C)C)cc1	49504511	AEZJKROUGNGCFO-HNNXBMFYSA-N	290.411	1.817	10	20	CDCD	
COc1ccc(N(C)CCCS(C)(=O)=O)c(OC)c1	131840707	VGVQUANCRVIXQW-UHFFFAOYSA-N	287.381	1.575	10	20	CDCD	
CCOCc1cc(CNC2(C(N)=O)CC2)ccc1OC	191486013	XTNLAOCZLRNXNP-UHFFFAOYSA-N	278.352	1.339	10	20	CDCD	
C[C@@H](CS(C)(=O)=O)C(=O)N(C)Cc1ccccc1O	80066309	MFBHKNOUIVUHIT-JTQLQIEISA-N	285.365	1.031	10	20	CDCD	
COC[C@H]1CN(Cc2cc(OC)c(OC)cc2O)CCO1	271058011	BIBALTUIMZQOCP-GFCCVEGCSA-N	297.351	1.257	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CCCOCC1	367907674	UDFYAOFHUWVUEX-HWKANZROSA-N	263.293	1.360	10	20	CDCD	
COC(=O)[C@H]1CC[C@@H]1C(=O)NCc1cccc(OC)c1O	286865658	YHSSHUVLVNMQAC-QWRGUYRKSA-N	293.319	1.216	10	20	CDCD	
COc1cc(C(=O)OCC(=O)C(C)=O)ccc1C	808492680	BCRYNVOVVJYEDA-UHFFFAOYSA-N	250.250	1.319	10	20	CDCD	
CCOC1CN(C(=O)NCc2ccc(N(C)C)c(F)c2)C1	297116968	GUSVPFKYFZCNNY-UHFFFAOYSA-N	295.358	1.822	10	20	CDCD	
CC(=O)C(=O)COC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O	808483217	GLBXSFLYFNRLIP-ZACCUICWSA-N	266.293	1.083	10	20	CDCD	
O=C([C@H]1CCN(Cc2cc(F)ccc2O)C1)N1CCCC1	290542245	RHIGDXHJQXSBHR-LBPRGKRZSA-N	292.354	1.976	10	20	CDCD	
CN(C)c1ccc(OCC2(CS(C)(=O)=O)CC2)cc1	810000202	FBPFPBFDLCVBCW-UHFFFAOYSA-N	283.393	1.956	10	20	CDCD	
O=C(COCc1ccccn1)NCc1ccc(O)c(O)c1	813489935	FJROSJJRNVRNGU-UHFFFAOYSA-N	288.303	1.326	10	20	CDCD	
Cn1cc(/C=C/C(=O)N2C[C@@H](CO)Cc3ccccc32)cn1	816782629	BXJNKGGTYPWHAF-UZYOAWRESA-N	297.358	1.631	10	20	CDCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC[C@H](C)O	819374543	FYVXOZNZUMJUBR-OLZOCXBDSA-N	250.386	1.962	10	20	CDCD	
OCCCN1CCC[C@@H]1CNCc1cc(Cl)ccc1O	824559028	CTCKAEUEUAQOJT-CQSZACIVSA-N	298.814	1.982	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)[C@H]2CCNC2=O)cc1	822607771	MTXDTBPSQMFMFL-AWEZNQCLSA-N	289.379	1.285	10	20	CDCD	
CC(C)n1cnnc1CNC(=O)c1cc(O)cs1	732831520	YUGFGEFXMBQCLP-UHFFFAOYSA-N	266.326	1.556	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)C2=NNC(=O)C2)cc1	732273272	ORDSRWJFXDVYLB-UHFFFAOYSA-N	288.351	1.025	10	20	CDCD	
CCCNC(=O)CN1CCCc2cc(OC)cc(OC)c21	839654193	LWMBWWGOKVPMBK-UHFFFAOYSA-N	292.379	1.983	10	20	CDCD	
CCCn1nccc1C(=O)NCCc1ccc(O)c(O)c1	830531365	IAUSYQUWPYRWKF-UHFFFAOYSA-N	289.335	1.677	10	20	CDCD	
CC(C)(C)OC(=O)NCCC(=O)NCc1ccc(N)cc1	837303324	HALUBAHBKCHMQE-UHFFFAOYSA-N	293.367	1.800	10	20	CDCD	
CCO[C@@H]1C[C@H](NC(=O)Cc2ccc(N)cc2)[C@@H]1OC	832152568	RNBLHVUOYVNKKE-GUTXKFCHSA-N	278.352	1.120	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)c1cnn2c1OCCC2	910944571	OTRQSKFINVKSGV-UHFFFAOYSA-N	289.291	1.007	10	20	CDCD	
COc1cc2c(c(OC)c1)N(CC(=O)NC1CC1)CCC2	839654174	LLKSRVJIHNEDLH-UHFFFAOYSA-N	290.363	1.735	10	20	CDCD	
COc1cc(C)cc(CN2CCO[C@H](CF)C2)c1O	840171254	IFHBJTSVAZBZAP-GFCCVEGCSA-N	269.316	1.880	10	20	CDCD	
OC[C@H](CCF)NCc1cc(Br)ccc1O	846096324	GKFMJKKQIBUARA-JTQLQIEISA-N	292.148	1.965	10	20	CDCD	
COc1ccc(CNC(=O)C2(N)CCCCC2)c(O)c1	843499740	MWVWJXMQJJQDAV-UHFFFAOYSA-N	278.352	1.679	10	20	CDCD	
C[C@@H](C(=O)O)C(=O)NCc1ccc2c(c1)CCCN2C	842586687	WIKLGGBMIXBWKR-SNVBAGLBSA-N	276.336	1.406	10	20	CDCD	
CN(C)CCn1cc(NC(=O)Nc2ccc(N)cc2)cn1	841301593	VXDHXJFMUHSXSC-UHFFFAOYSA-N	288.355	1.671	10	20	CDCD	
COCC1(CS(=O)(=O)NCc2ccccc2O)CCC1	845867342	ODYDDSZTMHIUNU-UHFFFAOYSA-N	299.392	1.628	10	20	CDCD	
CC(C)C(=O)COC(=O)/C=C\c1ccc(O)c(O)c1	759594645	HTHQYNMDJWODHG-XQRVVYSFSA-N	264.277	1.879	10	20	CDCD	
C[C@@H](N[C@H]1CCOC1)c1cc([N+](=O)[O-])ccc1O	756770820	XMJLQOFYOWYACO-BDAKNGLRSA-N	252.270	1.740	10	20	CDCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C[C@H](O)[C@H](C)O	929294344	CLIXTYOBBYLTTA-BBRMVZONSA-N	280.412	1.705	10	20	CDCD	
C[C@H](NCC(=O)NCC1CC1)c1cc(F)cc(F)c1O	757633203	RHNQBMIXUYVWBX-QMMMGPOBSA-N	284.306	1.847	10	20	CDCD	
CC(=O)c1cc(O)ccc1NS(=O)(=O)c1cn(C)cn1	766047450	IZWQJKCXLQLJJM-UHFFFAOYSA-N	295.320	1.129	10	20	CDCD	
CN(Cc1cc2c(cc1O)OC[C@H]2O)C[C@@H]1CCOC1	768462699	BXVMTAOLFMAOIP-IINYFYTJSA-N	279.336	1.286	10	20	CDCD	
CCOc1ccc(CN2CCO[C@@H](COC)C2)c(O)c1	769460478	JRXWRXKISDMXPI-CQSZACIVSA-N	281.352	1.638	10	20	CDCD	
O=C1CN(C2CC2)C(=O)N1Cc1ccc(N2CC=CC2)cc1	761359081	HVOOUWIXKBJZER-UHFFFAOYSA-N	297.358	1.989	10	20	CDCD	
COC(=O)[C@@H]1CN(Cc2c(O)cccc2OC)C[C@H]1C	769516775	RABLBKFBIYZFPP-GHMZBOCLSA-N	279.336	1.642	10	20	CDCD	
Cc1cccc(O)c1CN1CCC[C@@H]1C(=O)NC1CC1	876595771	KOTVJCSMKMJZMT-CQSZACIVSA-N	274.364	1.944	10	20	CDCD	
COC[C@@H](NCc1cc(C)cc(OC)c1O)[C@@H]1CCCO1	894593712	ATSRGEYXRKVFAJ-KGLIPLIRSA-N	295.379	1.993	10	20	CDCD	
CCOc1ccc(CN2C[C@H]3C[C@]3(CO)C2)c(O)c1	783735318	PGGFGEUUKTVELI-IUODEOHRSA-N	263.337	1.605	10	20	CDCD	
C[C@H](N)C[C@@H](C)NC(=O)N[C@H](C)c1ccccc1O	892199310	MCNNFESQXSANSE-HBNTYKKESA-N	265.357	1.878	10	20	CDCD	
COc1ccc(CN(C)CC(C)(C)O)c(O)c1OC	892044127	DZMRLIOJPDGKNO-UHFFFAOYSA-N	269.341	1.612	10	20	CDCD	
C[C@@H]1C[C@H](C(=O)NCCc2ccc(O)c(O)c2)CCO1	272122321	ZZMNZCSWYVQZIJ-ZYHUDNBSSA-N	279.336	1.572	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N1CCCc2n[nH]cc21	790072047	HNOMBEQIBBONMX-XQRVVYSFSA-N	285.303	1.814	10	20	CDCD	
Cc1noc(C(=O)NCc2ccc(N3CCCC3)cc2)n1	791323383	PUEMAIURKPYMCP-UHFFFAOYSA-N	286.335	1.908	10	20	CDCD	
COC(=O)[C@@H](C)CN(C)C(=O)c1c(F)ccc(O)c1O	790069784	UEUZDGPJPHQUNJ-ZETCQYMHSA-N	285.271	1.118	10	20	CDCD	
Cc1cc(C(=O)NCc2ccccc2O)cc(O)n1	777418686	BDHYWROWCWOPLM-UHFFFAOYSA-N	258.277	1.731	10	20	CDCD	
Nc1ccc(CCNC(=O)c2cc3c(cn2)OCCC3)cc1	1329118203	JHTVGEUZEQJNPP-UHFFFAOYSA-N	297.358	1.961	10	20	CDCD	
C[C@@H](CN(C)Cc1ccccc1O)S(C)(=O)=O	1325192128	XBTRUUQEMYDLAG-JTQLQIEISA-N	257.355	1.257	10	20	CDCD	
CC(=O)N1CC[C@@H](CN(C)C(=O)c2cccc(O)c2O)C1	1326766539	WVYUTMZEPKNMLY-NSHDSACASA-N	292.335	1.038	10	20	CDCD	
CCN(CC)c1ccc(CNC[C@H](O)C(=O)O)cc1F	1332031015	ADDCJIPNNLXSOO-ZDUSSCGKSA-N	284.331	1.207	10	20	CDCD	
Nc1ccc(CNC(=O)N2CC[C@@H]3NCC[C@H]3C2)cc1	1335736743	HRKORDGHSDIPFU-JSGCOSHPSA-N	274.368	1.162	10	20	CDCD	
Cc1nnc(CN[C@H](C)c2cc(F)cc(F)c2O)n1C	1337785463	NJGCXDBKFKWIJM-SSDOTTSWSA-N	282.294	1.958	10	20	CDCD	
C[C@@]1(C(=O)NCc2cccc(O)c2O)CC1(F)F	1347542945	UCLPAULDVCWUOG-NSHDSACASA-N	257.236	1.759	10	20	CDCD	
COc1ccc(CN[C@H](CCCC(=O)O)C(=O)O)cc1C	1353951838	BHOASQVXIIPNPV-GFCCVEGCSA-N	295.335	1.801	10	20	CDCD	
C[C@@H](N[C@@H](CO)CC(F)F)c1cc(C(=O)O)ccc1O	1593211225	VWBNJLPXSSEPFJ-VXNVDRBHSA-N	289.278	1.757	10	20	CDCD	
CN1C[C@@H](CSc2ncc(C(=O)O)s2)OC1=O	1598568157	YGVCPCJETXPAIS-YFKPBYRVSA-N	274.323	1.384	10	20	CDCD	
C[C@@](O)(CNCc1ccc2c(c1)CCCO2)CC(=O)O	1776461596	RFTYZJUJPWCJCK-HNNXBMFYSA-N	279.336	1.327	10	20	CDCD	
CCN(C)S(=O)(=O)N[C@@H](C)c1cc(OC)ccc1O	161189712	HKHNEUSPPTYEGZ-VIFPVBQESA-N	288.369	1.248	10	20	CDCD	
COc1cccc(O)c1CN1CC[C@@H](C(=O)N(C)C)C1	840959033	XESKGOCLTFCUQO-LLVKDONJSA-N	278.352	1.311	10	20	CDCD	
C[C@@H](NC(=O)CNCC(F)(F)F)c1ccccc1O	870988088	GBNVESDZVXQLBI-MRVPVSSYSA-N	276.258	1.721	10	20	CDCD	
C[C@@H](NC(=O)[C@@H]1NCCC1(C)C)c1ccccc1O	877256002	MEOUMXIBEFTPNY-MFKMUULPSA-N	262.353	1.958	10	20	CDCD	
COC[C@H](O)CCN[C@H]1CCc2cccc(O)c21	296897364	OSPIYKLEHFFAKG-NEPJUHHUSA-N	251.326	1.367	10	20	CDCD	
Cc1ccc([C@@H](C)NCC2(CO)COC2)c(O)c1	186146376	MPURDGGPWWBGDB-LLVKDONJSA-N	251.326	1.360	10	20	CDCD	
C[C@H](N[C@@H]1COC[C@@H]1O)c1ccc(N(C)C)cc1	323470483	XLONPFJBMSXHSQ-GDLCADMTSA-N	250.342	1.163	10	20	CDCD	
COc1cc(Cl)cc(CN2CC[C@@H](CC(N)=O)C2)c1O	367704872	LMWCLRFIMVFFQA-VIFPVBQESA-N	298.770	1.752	10	20	CDCD	
CNC(=O)C(C)(C)CNCc1cc(F)cc(F)c1O	708516788	LNICYGYAXYLYEO-UHFFFAOYSA-N	272.295	1.532	10	20	CDCD	
CCN1C[C@@H](NCc2ccc(N(C)C)cc2)CC1=O	391596504	HXCVRRXEUFZOMT-ZDUSSCGKSA-N	261.369	1.463	10	20	CDCD	
C[C@@H](NC(=O)C[C@]1(O)CCCNC1)c1ccccc1O	1263175662	IQNTZOBWTIIVKN-IAQYHMDHSA-N	278.352	1.074	10	20	CDCD	
C[C@@](O)(CNCc1cc2c(cc1O)OCO2)c1ccco1	174527826	GABWTAWNXWNSIW-OAHLLOKOSA-N	291.303	1.711	10	20	CDCD	
COc1cccc(CN[C@@H](C)[C@H]2CCOC2)c1O	135213585	ZKNVKHWQELYFSB-JQWIXIFHSA-N	251.326	1.915	10	20	CDCD	
COc1ccc(O)c([C@H](C)NCCCN2CCOCC2)c1	20141748	NHHWEIJPOUDSOR-ZDUSSCGKSA-N	294.395	1.774	10	20	CDCD	
COc1cccc(CNC[C@@](C)(O)C2CC2)c1O	310917339	FIEMYFPAFLTCCY-CQSZACIVSA-N	251.326	1.651	10	20	CDCD	
Cc1ccc(C(=O)N[C@H](C)C(=O)NC(C)(C)C)c(O)c1O	177676141	OYDURVBULHXUGH-SECBINFHSA-N	294.351	1.439	10	20	CDCD	
C[C@H]1CN(C(=O)c2cccc(O)c2O)[C@H](C)CO1	126258903	PEHMQPPUCXUBQV-BDAKNGLRSA-N	251.282	1.347	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccnc1	183425880	JESCDGJLOYAEQL-JTQLQIEISA-N	272.304	1.854	10	20	CDCD	
Cc1cc(C(=O)N(C)Cc2ccccc2O)ncn1	129610980	UUDPWKHATDZOCE-UHFFFAOYSA-N	257.293	1.763	10	20	CDCD	
O=C(Cn1cc([N+](=O)[O-])ccc1=O)c1ccc(O)c(O)c1	31671829	WZTAWNFOUYBNCZ-UHFFFAOYSA-N	290.231	1.051	10	20	CDCD	
COc1ccc(O)c(CN2CCC[C@@]23CCOC3=O)c1	190033997	KBJFNUDVKCHOIK-HNNXBMFYSA-N	277.320	1.682	10	20	CDCD	
CC[C@@]1(C(=O)NCCc2ccc(N)cc2)CCCN1	134368016	DWBALXSKIHKORZ-HNNXBMFYSA-N	261.369	1.460	10	20	CDCD	
COc1cccc(CN(C)C[C@@H]2CCC[C@@H]2O)c1O	91899626	OUUSADQMXYOIEU-AAEUAGOBSA-N	265.353	1.994	10	20	CDCD	
C[C@H](NCC(=O)N1CCOCC1)c1cc(F)ccc1O	181232838	XBVPJJFVPGTFNO-JTQLQIEISA-N	282.315	1.041	10	20	CDCD	
CCN(CC(C)(C)O)C(=O)c1c(F)ccc(O)c1O	276561283	IYHIPTHXBYVEDI-UHFFFAOYSA-N	271.288	1.470	10	20	CDCD	
Cc1ccc(C(=O)NC[C@H]2CCSC2)c(O)c1O	279803865	PNEIGLWQWLZNFS-SECBINFHSA-N	267.350	1.889	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)c1noc2c1CCCC2	272385427	WTEJVAPNMUKXMH-UHFFFAOYSA-N	288.303	1.895	10	20	CDCD	
COC[C@@H](O)CCN[C@H](C)c1cc([N+](=O)[O-])ccc1O	273477739	LCOOTICTOZYJJG-KOLCDFICSA-N	284.312	1.348	10	20	CDCD	
CC(=O)N1CCC[C@H](CNCc2cc(F)ccc2O)C1	279907010	WKOOZCJJUYZZBH-GFCCVEGCSA-N	280.343	1.879	10	20	CDCD	
COCCOCCCNC(=O)c1ccc(C)c(O)c1O	271280717	NXLKXTKYGZXNGJ-UHFFFAOYSA-N	283.324	1.189	10	20	CDCD	
COC(=O)[C@@H]1CC[C@H]1C(=O)NCc1ccc(N(C)C)cc1	285239087	YLHLYTXUJLHGTK-ZIAGYGMSSA-N	290.363	1.568	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2C[C@H]3[C@H](N(C)C)[C@H]3C2)c1O	384563458	ICMGKCAIUOJERD-FICVDOATSA-N	292.354	1.726	10	20	CDCD	
O=[N+]([O-])c1ccc(O)c(CNCCC2(O)CCOCC2)c1	285375234	CMFCFOUACYXGDK-UHFFFAOYSA-N	296.323	1.322	10	20	CDCD	
C[C@@H](CN1CCN(C)CC1)N[C@H]1CCc2cccc(O)c21	297806988	QQBMDQKQEBRXLS-ZFWWWQNUSA-N	289.423	1.605	10	20	CDCD	
CC(=O)N[C@@H]1CCN(Cc2cc(C)cc(C)c2O)C1	817366210	QBUPUMWHGBXLKU-CQSZACIVSA-N	262.353	1.719	10	20	CDCD	
CCCNC(=O)[C@@H](C)Sc1ncc(C(=O)OC)s1	829688041	RTMUNXFEKNAIKQ-SSDOTTSWSA-N	288.394	1.937	10	20	CDCD	
CC(C)NC(=O)CN(C)Cc1cc2c(cc1O)CCC2	732502129	LTHBBBLDMUXYPA-UHFFFAOYSA-N	276.380	1.837	10	20	CDCD	
Cn1cncc1/C=C1\SC(N2CCCCC2)=NC1=O	901435903	JOBJGCFBYDCKSL-XFFZJAGNSA-N	276.365	1.876	10	20	CDCD	
CCC[C@@H](O)CCNC(=O)/C=C\c1ccc(O)c(O)c1	832660795	GJGDDNGTLWBLAO-SMYYYNMVSA-N	279.336	1.778	10	20	CDCD	
C[C@H](NC(=O)c1ncc[nH]1)c1ccc(N(C)C)cc1	832432033	YLODNBWGFDXVBZ-JTQLQIEISA-N	258.325	1.967	10	20	CDCD	
O=C1CC[C@@H]2[C@H]1[C@@H]2C(=O)NCc1cc(Cl)ccc1O	911897879	LITSSLVUBKUJBM-OASPWFOLSA-N	279.723	1.887	10	20	CDCD	
Oc1cc2c(cc1CN[C@@H]1CCCNCC1)OCO2	841057118	IIWRFNZDJXRMCR-LLVKDONJSA-N	264.325	1.353	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@H]2CCC(=O)C2)cc1F	843780073	ZVJXMTMNNSVMTH-LLVKDONJSA-N	278.327	1.877	10	20	CDCD	
COc1cccc(CNCc2nnn(C(C)(C)C)n2)c1O	848564776	IBJZXYNQVGXHER-UHFFFAOYSA-N	291.355	1.432	10	20	CDCD	
Cc1nc(O)[nH]c1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	847695760	HSBIZBDGCJPBKG-SSDOTTSWSA-N	291.307	1.196	10	20	CDCD	
O=C(c1cccc(O)c1O)N(CCOCCO)C1CCC1	855141869	OYBBPWZRWAAMKM-UHFFFAOYSA-N	295.335	1.101	10	20	CDCD	
C[C@H](NCC(=O)Nc1cnccn1)c1ccc(N(C)C)cc1	851950664	QWYKGXUZFNLJGR-LBPRGKRZSA-N	299.378	1.832	10	20	CDCD	
CC(=O)N[C@H](CC(C)C)C(=O)NCc1cc(C)ccc1O	862754189	UHOUZLPSUAKENG-CQSZACIVSA-N	292.379	1.868	10	20	CDCD	
CN(C)c1cc(F)c(CN2CCC3(C2)OCCO3)cc1F	862238568	AKXRGGCREKXKCA-UHFFFAOYSA-N	298.333	1.980	10	20	CDCD	
CN(CCOCC1CC1)Cc1cc2c(cc1O)OC[C@H]2O	768462623	AOTGTMJUKFQYRI-OAHLLOKOSA-N	293.363	1.676	10	20	CDCD	
CCOC(=O)C[C@@H](C)CNC(=O)c1cc(O)cs1	761029381	OMPXBHXAHUVGRY-MRVPVSSYSA-N	271.338	1.773	10	20	CDCD	
CCOc1ccc(CNc2nc3ncccn3n2)c(O)c1	775173974	UOCAEZYFEVOACK-UHFFFAOYSA-N	285.307	1.841	10	20	CDCD	
C[C@H]1CO[C@H](CO)CN1Cc1ccc(N2CCCC2)cc1	1116450002	WGQCFBMCFIWWSK-YOEHRIQHSA-N	290.407	1.868	10	20	CDCD	
COCCOC[C@H](C)NC(=O)/C=C/c1ccc(O)c(O)c1	779523942	HACRQXNTWYGYAL-MALLOTDXSA-N	295.335	1.279	10	20	CDCD	
O=C1C[C@H](NCc2cc(F)cc(F)c2O)CN1C1CC1	883027407	AHCNWBLKYFQQPA-JTQLQIEISA-N	282.290	1.523	10	20	CDCD	
CN1CCN(C(=O)NCCc2ccc(N)cc2)CC1(C)C	892039809	ZNMLOQIJFOFCNU-UHFFFAOYSA-N	290.411	1.547	10	20	CDCD	
COCC1(C(=O)OCC(=O)c2ccc(O)c(O)c2)CCC1	792683885	MJCAZMOYISBOHQ-UHFFFAOYSA-N	294.303	1.640	10	20	CDCD	
c1cc(N2CCCC2)ccc1CNC[C@@H]1CNCCO1	1326074027	DLMWOMQWEISART-INIZCTEOSA-N	275.396	1.365	10	20	CDCD	
CCON(CC)C(=O)C(=O)NCc1ccc(N(C)C)cc1	1336078571	DSYABSZJIUFHEK-UHFFFAOYSA-N	293.367	1.169	10	20	CDCD	
CN(C)Cc1cc(C(=O)NCc2ccc(O)c(O)c2)no1	1342106308	NTNBTRIVYCFCBV-UHFFFAOYSA-N	291.307	1.077	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)CCc1nccn1C	1528024388	POAROOGXIHQJEV-UHFFFAOYSA-N	273.336	1.717	10	20	CDCD	
Cc1ccc(CNCc2ccc(-c3nn[nH]n3)cn2)c(O)c1	1605856174	KWKSYQVNVNZYFN-UHFFFAOYSA-N	296.334	1.566	10	20	CDCD	
CCN(C)c1ccc(CN[C@@]2(C(=O)O)CCOC2)cc1	1589715196	OSXQIELUZUHZDZ-HNNXBMFYSA-N	278.352	1.476	10	20	CDCD	
CN(Cc1cc2c(cc1O)OCO2)C(C)(C)CC(=O)O	1598508525	MUDCLXULSZGQBR-UHFFFAOYSA-N	281.308	1.806	10	20	CDCD	
CN(C)c1ccc(CN2CCCC[C@H]2C(N)=O)cc1F	162023616	FECQIONVXGJVEL-AWEZNQCLSA-N	279.359	1.732	10	20	CDCD	
CCc1cccc(CNCCS(=O)(=O)C(C)C)c1O	691450334	HIPUCQGXKVRYFD-UHFFFAOYSA-N	285.409	1.867	10	20	CDCD	
COc1cccc(CNC[C@]2(C)CCOC2)c1O	397279721	HJSGSEMHVRPLHY-AWEZNQCLSA-N	251.326	1.917	10	20	CDCD	
COc1cccc(CNCC2(N(C)C)CC2)c1O	397954798	DNXLOLSVVJEKGH-UHFFFAOYSA-N	250.342	1.585	10	20	CDCD	
COC(=O)CN(CCO)Cc1cc(Cl)ccc1O	177716944	GNBWRZLNNVHYAP-UHFFFAOYSA-N	273.716	1.013	10	20	CDCD	
Oc1ccccc1CN1CCC[C@@H](Cn2ccnn2)C1	179587177	ZITZRDPUQJQMFL-CYBMUJFWSA-N	272.352	1.896	10	20	CDCD	
Cn1cnnc1C1CCN(Cc2ccccc2O)CC1	179559712	YXXZDGXMMGWDAB-UHFFFAOYSA-N	272.352	1.900	10	20	CDCD	
C[S@](=O)CCCNCc1c(O)cccc1Cl	116918979	WDQQAIZFTJJUNU-MRXNPFEDSA-N	261.774	1.904	10	20	CDCD	
C[C@H](N[C@H](C)c1ccc(F)c(F)c1O)C(=O)N(C)C	188993763	ABQMPONYKFCXAU-SFYZADRCSA-N	272.295	1.798	10	20	CDCD	
COC(=O)[C@H]1[C@@H](O)CCCN1Cc1cc(F)ccc1O	188787910	YPGUNYQQPGBQBA-QWHCGFSZSA-N	283.299	1.030	10	20	CDCD	
CCC[C@](C)(O)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	186442347	RMAHPUWLHLBMFW-BMIGLBTASA-N	281.352	1.696	10	20	CDCD	
CCOc1cccc(CN[C@@H]2CCN(C)C2)c1O	42544181	WPTRAFYMPHKRSA-GFCCVEGCSA-N	250.342	1.585	10	20	CDCD	
COc1ccc(N2CCN(C(=O)CCCCO)CC2)cc1	41482089	PGMVFAVGSPHOHS-UHFFFAOYSA-N	292.379	1.506	10	20	CDCD	
CCn1ncnc1CN(C)c1ccc(OC)cc1OC	193446573	UTNJTOKROSERDD-UHFFFAOYSA-N	276.340	1.952	10	20	CDCD	
Cc1ccn(CC(=O)N(C)Cc2ccccc2O)c(=O)c1	194843262	ZJHCNNLYKRIUIO-UHFFFAOYSA-N	286.331	1.521	10	20	CDCD	
COCCN(CCC(=O)OC)Cc1cc(C)ccc1O	93416042	OFXXEQJUJRJADV-UHFFFAOYSA-N	281.352	1.712	10	20	CDCD	
CCc1nc(CNCc2cc(F)ccc2O)n[nH]1	296042424	OEHZUSLWZJLOQS-UHFFFAOYSA-N	250.277	1.502	10	20	CDCD	
Cc1oc(C(=O)O)cc1COc1ccccc1C(N)=O	51361008	URKCNZDYOIZKTH-UHFFFAOYSA-N	275.260	1.964	10	20	CDCD	
CCCC[C@H](NC(N)=O)C(=O)NCc1ccccc1O	269112784	COMXXKOXNBTKCK-NSHDSACASA-N	279.340	1.236	10	20	CDCD	
CC[C@@H](N[C@@H]1CC(=O)N(C)C1)c1ccc(C)cc1O	280302039	ZYHBAZSQXBRYFN-DGCLKSJQSA-N	262.353	1.972	10	20	CDCD	
CN(C)c1ccc(CNC(CO)CO)c(C(F)(F)F)c1	281033006	YQPQNUSOVDYZTD-UHFFFAOYSA-N	292.301	1.214	10	20	CDCD	
Nc1ccc(CN2C[C@@H](CO)[C@H](C(F)(F)F)C2)cc1	709874959	XWFZTMJGAPNSKX-CMPLNLGQSA-N	274.286	1.871	10	20	CDCD	
CC[C@@H](N[C@@H]1COC[C@H]1O)c1cccc(Cl)c1O	296000691	QHQXPXMHBQELLV-IJLUTSLNSA-N	271.744	1.846	10	20	CDCD	
Oc1ccc(F)cc1CN1CC[C@@]2(CNCCO2)C1	719996558	AIPKGNPXBWTGPT-CQSZACIVSA-N	266.316	1.096	10	20	CDCD	
COC[C@H](C)CN1C(=O)CN(Cc2ccccc2O)C1=O	819164369	HLZUFRJMMFHNGU-LLVKDONJSA-N	292.335	1.439	10	20	CDCD	
C[C@@H](C(=O)O)N(C)Cc1ccc(N2CCOCC2)c(F)c1	819895454	IVJPVZOPFZAZSW-NSHDSACASA-N	296.342	1.567	10	20	CDCD	
CC1=NO[C@H](C(=O)NCc2ccc(N(C)C)c(F)c2)C1	824669076	DKTKYMRCUBNLAO-ZDUSSCGKSA-N	279.315	1.673	10	20	CDCD	
C/C(=C\C(=O)N1CCN(C)c2ncccc21)c1cnccn1	826890077	GMYKOERUHPSANI-ZRDIBKRKSA-N	295.346	1.758	10	20	CDCD	
CCOc1ccc(CNC2([C@@H](C)O)CC2)c(O)c1	827579521	FLKXTRPWOAYNDR-SNVBAGLBSA-N	251.326	1.794	10	20	CDCD	
CC(C)[C@H](NCc1cc([N+](=O)[O-])ccc1O)C(=O)O	820053417	SCKQGCORUJQCMX-NSHDSACASA-N	268.269	1.499	10	20	CDCD	
Cc1cccc(N(CC(=O)O)C(=O)/C=C/c2cccnc2)n1	738720122	LSVAPKZZRJCYKH-BQYQJAHWSA-N	297.314	1.916	10	20	CDCD	
CC[C@H](O)CNC[C@H](c1ccc(N(C)C)cc1)N(C)C	905706319	SXJSPVDXHRHXAR-JKSUJKDBSA-N	279.428	1.716	10	20	CDCD	
O=C(NC[C@H]1CCN(C2CC2)C1)c1cc(O)cs1	732271529	IXSGDPXPMNOQAF-SECBINFHSA-N	266.366	1.668	10	20	CDCD	
COCC(COC)OC(=O)c1ccc(C)c(O)c1O	908967924	WLDGDADXTVCAOL-UHFFFAOYSA-N	270.281	1.224	10	20	CDCD	
CCOCc1cc(CN[C@@H](C)C(=O)O)ccc1OC	739492125	BOYMLWFRVZGXKK-JTQLQIEISA-N	267.325	1.794	10	20	CDCD	
COC(=O)[C@@H]1C[C@H](C)CCN1C(=O)c1cc(O)cs1	832417181	DEJGBRCEUBCQKJ-SCZZXKLOSA-N	283.349	1.867	10	20	CDCD	
CCC[C@H](OC)C(=O)OCC(=O)c1ccc(O)c(O)c1	837802872	CVRBKHKSFIXFEI-ZDUSSCGKSA-N	282.292	1.639	10	20	CDCD	
Cn1cc(NC(=O)c2cc(O)cs2)ccc1=O	732274739	NNIZAEIIGVEGIL-UHFFFAOYSA-N	250.279	1.405	10	20	CDCD	
CCN1C(=O)C(C)(C)N[C@@H]1c1cc(F)ccc1O	840833871	PPQMFFREHTWNHD-NSHDSACASA-N	252.289	1.760	10	20	CDCD	
COc1ccc(N(C)CCN(C)Cc2ncnn2C)cc1	844401710	OPJMNRIYQJZGFO-UHFFFAOYSA-N	289.383	1.392	10	20	CDCD	
CC[C@@H](N[C@@H]1COC[C@H]1OC)c1ccc(F)cc1O	842911916	OSSCASZWZHJRFG-YRGRVCCFSA-N	269.316	1.986	10	20	CDCD	
CC(=O)N[C@@](C)(C(=O)NCCc1ccc(N)cc1)C(C)C	911782463	JNOIJQKVNCNVMY-MRXNPFEDSA-N	291.395	1.478	10	20	CDCD	
COC[C@H](NCc1ccc(N(C)C)cc1C)C(=O)OC	840941620	DTXBCJCXHYUXTR-AWEZNQCLSA-N	280.368	1.339	10	20	CDCD	
COc1cc(O)c(CN[C@@H](CN)C(C)(C)C)cc1OC	841086978	GSXLRKITYPFUEU-AWEZNQCLSA-N	282.384	1.872	10	20	CDCD	
O=C1CC[C@H](CC(=O)NCc2cc(Cl)ccc2O)CN1	846475648	DNLGXQRYRQBANT-SECBINFHSA-N	296.754	1.578	10	20	CDCD	
CN(C)c1ccc(CNC[C@@H]2CCCN2)cc1F	841037074	YHKCUIMVGXBEOJ-LBPRGKRZSA-N	251.349	1.733	10	20	CDCD	
CCO[C@H]1COCC[C@@H]1NCc1cc2c(cc1O)OCO2	759174488	UFJPWOARZHGPFE-NHYWBVRUSA-N	295.335	1.405	10	20	CDCD	
OC[C@@H](CNCc1ccc2c(c1)CCCO2)[C@H]1CCOC1	922086492	MBRGLJSDGFVSTF-JKSUJKDBSA-N	291.391	1.746	10	20	CDCD	
Cc1cc(CN2CCC(O)(CO)CC2)ccc1N(C)C	852500131	IBIOFMGXYPTYGZ-UHFFFAOYSA-N	278.396	1.380	10	20	CDCD	
COC(=O)CCCCOC(=O)/C=C/c1ccc(O)c(O)c1	859600952	NRXGVHHAZLLJFE-SOFGYWHQSA-N	294.303	1.998	10	20	CDCD	
O=C(Cc1ccc2c(c1)COC2)NCc1ccc(O)c(O)c1	755527846	BKWLQLXVFKFYDV-UHFFFAOYSA-N	299.326	1.987	10	20	CDCD	
Cn1ncnc1C(=O)NCCCSc1nccs1	853801641	FTHPFBHCZURUSQ-UHFFFAOYSA-N	283.382	1.184	10	20	CDCD	
Cn1ccnc1[C@H]1CCN(C(=O)c2cc(O)cs2)C1	756809832	RVQYJXLJIJSZRP-VIFPVBQESA-N	277.349	1.817	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)CCc2cnn[nH]2)c1	869410374	GEAONMRUFOOCOY-UHFFFAOYSA-N	260.297	1.068	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)CCc2cn[nH]c2)c1	863937045	IPSVSCKXJRKUHC-UHFFFAOYSA-N	259.309	1.673	10	20	CDCD	
CCN(C)c1ccc([C@@H](C)NC[C@]2(O)CCN(C)C2)cc1	762790200	YJJWXLFGLTYPOQ-RHSMWYFYSA-N	291.439	1.860	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)C[C@@H]2CCC(=O)N2C)c1	862755239	POGRICVNJUXNAN-LBPRGKRZSA-N	276.336	1.328	10	20	CDCD	
COC1CC(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)C1	860693863	GISZOONTUJAUNF-GCVQQVDUSA-N	279.336	1.570	10	20	CDCD	
Cc1cc(C(=O)NCc2ccc(O)c(O)c2)c(C)nn1	767154997	ICOBQYBHZKNDHA-UHFFFAOYSA-N	273.292	1.435	10	20	CDCD	
Cc1cnn([C@@H]2CCCNC2)c1C(=O)Nc1ccc(N)cc1	876503883	GMYBGKSNWCFRNZ-CQSZACIVSA-N	299.378	1.951	10	20	CDCD	
Cc1cccc(O)c1CN1CC[C@@H]2NC(=O)CC[C@H]2C1	877629561	VRHYTCKAYJNADX-JSGCOSHPSA-N	274.364	1.801	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N1CCCOCC1	779506784	UDFYAOFHUWVUEX-HYXAFXHYSA-N	263.293	1.360	10	20	CDCD	
CO[C@@H](C)C(=O)NCc1ccc(N2CCN(C)CC2)cc1	881849261	DEMRUSPWUSUWLX-ZDUSSCGKSA-N	291.395	1.090	10	20	CDCD	
COC/C=C\C(=O)OCC(=O)c1ccc(O)c(O)c1	786595081	GOFBKXDNMHKGKG-IHWYPQMZSA-N	266.249	1.026	10	20	CDCD	
O=C1OCC[C@@H]1NCc1cc(Cl)c(F)cc1O	895807895	WIHWQOIYNRQWGB-VIFPVBQESA-N	259.664	1.590	10	20	CDCD	
CC(C)[C@@H]1C(=O)NCCN1Cc1cc(F)cc(F)c1O	894000472	FUZSVHSMVOVCKJ-GFCCVEGCSA-N	284.306	1.627	10	20	CDCD	
O=C1NCCN1CCNCc1ccc2ccccc2c1O	895814922	TXBLNDPRNMCJSO-UHFFFAOYSA-N	285.347	1.660	10	20	CDCD	
O=S(=O)(Nc1ccc(O)c(Cl)c1)N1CCOCC1	85204645	GLRPBBIEIHUKOS-UHFFFAOYSA-N	292.744	1.035	10	20	CDCD	
COc1ccc(CNS(=O)(=O)CC2CCC2)c(O)c1	795363128	WBCZIPHFMOYINO-UHFFFAOYSA-N	285.365	1.620	10	20	CDCD	
COC[C@@H](OC)C(=O)N(C)Cc1ccccc1O	691125192	XVONQYMSWYMNPP-GFCCVEGCSA-N	253.298	1.012	10	20	CDCD	
COc1ccc(O)c([C@H](C)NCc2ncnn2CCF)c1	799314714	PVDMCYQMMWUBFN-JTQLQIEISA-N	294.330	1.813	10	20	CDCD	
CC(C)[C@H](CO)CNC(=O)NCc1ccc(N)cc1	1337070413	QAXASCPIAODZHL-LBPRGKRZSA-N	265.357	1.333	10	20	CDCD	
O=C(CC1CCOCC1)NCc1cccc(O)c1O	1263894868	YMQYXZDLFKXITM-UHFFFAOYSA-N	265.309	1.531	10	20	CDCD	
O=C(C1=CCCNCC1)N1CCCc2cccc(O)c21	1340320649	RWWAHVOKDRKGGR-UHFFFAOYSA-N	272.348	1.981	10	20	CDCD	
CN1CCN(c2ccc(CNC/C=C/CO)cc2F)CC1	1347357694	SLCSHLHDMGBXSI-NSCUHMNNSA-N	293.386	1.216	10	20	CDCD	
C[C@@H](NCC(C)(C)OCCO)c1cc(C(=O)O)ccc1O	1604333478	WHOCVPOIXXGBSA-SNVBAGLBSA-N	297.351	1.529	10	20	CDCD	
CC[C@@H](C)N(CC(=O)O)C(=O)Cc1ccc(O)c(O)c1	1604960742	MZFDINISPFKNKI-SECBINFHSA-N	281.308	1.352	10	20	CDCD	
CN(Cc1ccc(N2CCCC2)cc1)C(=O)CC(=O)O	1606160494	LVYIESVUEQWCPF-UHFFFAOYSA-N	276.336	1.720	10	20	CDCD	
C[C@H]1OCC[C@]1(O)CNCc1c(O)cccc1Cl	227968778	HIJWZYUALRXZMT-RNCFNFMXSA-N	271.744	1.675	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cccc(N)n1	1577939865	ULQKBQZJHOXQIZ-UHFFFAOYSA-N	292.335	1.785	10	20	CDCD	
O=C(NCc1ccc(N2CCCC2)cc1)[C@]12CNC[C@@H]1C2	1580713546	BXPNBOIRXNRXHW-WMLDXEAASA-N	285.391	1.513	10	20	CDCD	
COC(=O)CC[C@H](Sc1nccs1)C(=O)O	1598849339	OSSMFSQTVOZXOV-LURJTMIESA-N	261.324	1.642	10	20	CDCD	
O=C(N[C@H](CO)c1ccccc1)c1cccc(O)c1O	126619388	GRSZXTZYCQPRII-GFCCVEGCSA-N	273.288	1.561	10	20	CDCD	
Oc1cccc2c1[C@@H](NCCO[C@H]1CCOC1)CC2	927082687	HIVRVQIRHPKLMH-STQMWFEESA-N	263.337	1.775	10	20	CDCD	
COc1ccc(O)c(CNC[C@H]2CCCN(C)C2)c1	44534241	VEGGSNNFNSEUSL-GFCCVEGCSA-N	264.369	1.832	10	20	CDCD	
Cc1ccc(O)c(CNCC2([S@@](C)=O)CC2)c1	282379902	OIPZBDOENLKUPB-QGZVFWFLSA-N	253.367	1.701	10	20	CDCD	
C[C@@H](CCCO)CNCc1cc2c(cc1O)OCO2	294884328	VVHMOVUTZQNYOJ-JTQLQIEISA-N	267.325	1.619	10	20	CDCD	
CCN1C[C@H](N[C@H](C)c2ccc(F)cc2O)CC1=O	391544139	OHQJWBDMNJYAIX-MWLCHTKSSA-N	266.316	1.803	10	20	CDCD	
C[C@@H](NC(=O)NCCC[S@](C)=O)c1ccccc1O	1343818651	APAANSDRBJSTST-DGIBIBHMSA-N	284.381	1.521	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCOC1=O	1346525259	ZPUQYIVMIARSQD-ZDUSSCGKSA-N	291.351	1.210	10	20	CDCD	
NC(=O)[C@H]1CCCN(Cc2cccc(Cl)c2O)C1	183374890	PTHQHFNCKYSHCN-JTQLQIEISA-N	268.744	1.743	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)CSCC(=O)O	128185132	XKCVUXKFOKVQGZ-UHFFFAOYSA-N	269.322	1.168	10	20	CDCD	
Cc1cc(C(=O)NCc2ccc(N(C)C)cc2)[nH]n1	48823078	WNTCMURGNGHUSY-UHFFFAOYSA-N	258.325	1.714	10	20	CDCD	
C[C@@H]1CCCC[C@H]1NC=C1C(=O)N(C)C(=O)N(C)C1=O	48402845	WTTOQTLEYNDFBL-MWLCHTKSSA-N	279.340	1.089	10	20	CDCD	
Cc1cc(C(=O)N[C@@H]2CCCNC2)c(C)n1-c1ccccn1	237759671	BLLJYZGTEBLGQJ-CQSZACIVSA-N	298.390	1.971	10	20	CDCD	
CN(C(=O)/C=C\c1cncc(F)c1)c1cnn(C)c1	254936259	LBXMIHAJNMZJNL-ARJAWSKDSA-N	260.272	1.630	10	20	CDCD	
C[C@]1(N)CCCC[C@H]1C(=O)NCCc1ccc(N)cc1	263196335	IKTHLFWXDNJFDT-HOCLYGCPSA-N	275.396	1.835	10	20	CDCD	
COC[C@H](O)CCN[C@@H](C)c1cc([N+](=O)[O-])ccc1O	273477736	LCOOTICTOZYJJG-GXSJLCMTSA-N	284.312	1.348	10	20	CDCD	
C[C@]1(CNC(=O)c2c(F)ccc(O)c2O)CCCC[C@H]1O	276658072	XNXUQMSNMRGNSS-IAQYHMDHSA-N	297.326	1.908	10	20	CDCD	
COC[C@@H](CN[C@H](C)c1cc([N+](=O)[O-])ccc1O)OC	273423956	JWWCMUKNBGIESB-MWLCHTKSSA-N	284.312	1.612	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNCC2CCOCC2)c1O	278611659	DTUQCZQWVDZPFP-UHFFFAOYSA-N	296.323	1.825	10	20	CDCD	
COC[C@@H](CO)N[C@@H](C)c1ccc(C)c(C)c1O	281201349	SABPLGNYZOWUDR-NWDGAFQWSA-N	253.342	1.667	10	20	CDCD	
CCOc1cccc(CN2C[C@H]3C[C@H]2C(=O)O3)c1O	294864905	UEJWFXAPXRPOAJ-MNOVXSKESA-N	263.293	1.291	10	20	CDCD	
COC(=O)NCC(=O)N(C)Cc1ccc(N(C)C)cc1	299103390	IIRACGAJIXVVMG-UHFFFAOYSA-N	279.340	1.067	10	20	CDCD	
O=C1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc(O)c(O)c1	291794273	YTTIPTPVYVSEBE-OUHYUALJSA-N	287.315	1.834	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N1CCOCC12CC2	802291539	IOKMEJAFYJCXKJ-RQOWECAXSA-N	275.304	1.502	10	20	CDCD	
CC(=O)C(=O)CN1C(=O)[C@H](C)N(c2ccccc2)C1=O	808020999	WNXCAXSMWCVNHX-VIFPVBQESA-N	274.276	1.002	10	20	CDCD	
COC1(C)CN(Cc2ccc(N3CCOCC3)cc2)C1	813332041	PAMBRAWXPNIJJD-UHFFFAOYSA-N	276.380	1.744	10	20	CDCD	
CCOC(=O)[C@@H](C(=O)NCc1ccccc1O)C(C)C	821060012	CWUHYAYMLXCGST-CYBMUJFWSA-N	279.336	1.844	10	20	CDCD	
C[C@](O)(CNCc1cc([N+](=O)[O-])ccc1O)C1CC1	732670264	XEERQEIIIFGYJD-ZDUSSCGKSA-N	266.297	1.551	10	20	CDCD	
COc1ccc(N2CCC(N[C@H](C)C(=O)O)CC2)cc1	738098961	VLNVMGSBVWNUCA-LLVKDONJSA-N	278.352	1.727	10	20	CDCD	
Nc1ccc(CNC(=O)CCOC[C@@H]2CCCO2)cc1	837302781	GSBLGUBVAGGEJW-AWEZNQCLSA-N	278.352	1.471	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2ccon2)cc1F	747168859	PYJNXEJSCUGDBR-UHFFFAOYSA-N	263.272	1.810	10	20	CDCD	
CCn1ccc(CNC(=O)NCc2ccccc2O)n1	840277243	RWUMMCABBIBYDU-UHFFFAOYSA-N	274.324	1.608	10	20	CDCD	
O=C(OCCn1ccc([N+](=O)[O-])n1)c1cc(O)cs1	748121338	FYZHQQMZMQXWKL-UHFFFAOYSA-N	283.265	1.415	10	20	CDCD	
CC(=O)C(=O)Cn1nc(-c2ccc(C)cc2)c(C)cc1=O	842573813	TYUPZHVBCLQYEK-UHFFFAOYSA-N	284.315	1.685	10	20	CDCD	
CCn1nccc1CNC[C@H](N)c1ccc(N(C)C)cc1	841045801	QJSDFGJOHKMHTL-INIZCTEOSA-N	287.411	1.759	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC[C@]1(O)CCO[C@@H]1C	840940950	OSTQOMVYDCHZDQ-CZUORRHYSA-N	278.396	1.691	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)NC[C@H]1CCCN1	841937152	NYXRACIBNXARGU-GFCCVEGCSA-N	263.341	1.286	10	20	CDCD	
CCc1cccc(CNCc2ccc(C(N)=O)nc2)c1O	848900277	ZVEDTHSTSGZYNN-UHFFFAOYSA-N	285.347	1.738	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)NCCNC2CC2)c1	841928294	MNXOVYHUZPBMEY-JTQLQIEISA-N	293.367	1.513	10	20	CDCD	
CO[C@H]1CCCN(C(=O)NCCc2ccc(N)cc2)C1	841956275	AKFFVEYFTGBCCQ-AWEZNQCLSA-N	277.368	1.632	10	20	CDCD	
Cn1nnc2cc(CNCCc3ccc(N)cc3)ccc21	841036579	WHTSZCUHFIXOJN-UHFFFAOYSA-N	281.363	1.883	10	20	CDCD	
NC(=O)NCCCCCC(=O)NCc1ccccc1O	748347081	VLKTZYGFSMGOBK-UHFFFAOYSA-N	279.340	1.237	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@H](C)c2cnn(C)c2)c1	750237211	XZMJBALCOVYNOH-SNVBAGLBSA-N	289.335	1.554	10	20	CDCD	
COc1ccc(O)c(CNC(=O)C(=O)OC(C)(C)C)c1	764869145	OZHNQVPEBZATSJ-UHFFFAOYSA-N	281.308	1.359	10	20	CDCD	
Cc1cc(O)c(CN2CCN(CCCCO)CC2)cc1C	769393350	AKAPRFSTNARGSQ-UHFFFAOYSA-N	292.423	1.899	10	20	CDCD	
C/C=C\C(=O)N1CCN(c2ccc(OC)cc2OC)CC1	870163434	XYHXEEXENXFNJW-PLNGDYQASA-N	290.363	1.929	10	20	CDCD	
COC[C@](C)(O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	775406355	XRTRFPBMDKYWSP-ABAIWWIYSA-N	280.368	1.327	10	20	CDCD	
CCOCCNC(=O)CN[C@@H](C)c1ccc(N(C)C)cc1	775835763	IZWAPHGIRRMMBJ-ZDUSSCGKSA-N	293.411	1.556	10	20	CDCD	
CCNC(=O)CC(=O)N[C@@H](C)c1ccc(N(C)C)cc1	775412003	TYAAVZLRHYXBOA-NSHDSACASA-N	277.368	1.456	10	20	CDCD	
COc1cccc([C@@H](C)NCc2nonc2C)c1O	872136438	LDRBJQIXLZEUAY-MRVPVSSYSA-N	263.297	1.943	10	20	CDCD	
C[C@@H](CCO)NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1	776144178	OEPWBGSWFIMXTR-RYUDHWBXSA-N	279.384	1.884	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cncs1	773768549	KCTSJQZYIRECIV-MRVPVSSYSA-N	278.333	1.915	10	20	CDCD	
COc1ccc(CNC(=O)Nc2cnns2)c(O)c1	797649198	PNCZCGOGCLRDNM-UHFFFAOYSA-N	280.309	1.574	10	20	CDCD	
CO[C@@H]1CN(Cc2cc(C)c(C)cc2O)CCO1	895969075	WMKHDCLEKXIXBV-AWEZNQCLSA-N	251.326	1.814	10	20	CDCD	
Cn1cc(/C=C2\SC(=S)NC2=O)c(C2CC2)n1	899336787	ZKCLDGDDRXLERS-YWEYNIOJSA-N	265.363	1.786	10	20	CDCD	
COc1ccc(O)c([C@H](C)NCC(C)(C)C(N)=O)c1	186220382	YINIDERFVARCHB-VIFPVBQESA-N	266.341	1.563	10	20	CDCD	
C[C@H](O)CN1CCN(Cc2cc(Cl)ccc2O)[C@H](C)C1	793586079	FRPWFWKHTAXWKD-NEPJUHHUSA-N	298.814	1.933	10	20	CDCD	
CN(CC(N)=O)Cc1c(O)cccc1Br	707129129	DBQRSEIFCGTVCT-UHFFFAOYSA-N	273.130	1.072	10	20	CDCD	
CC[C@@]1(C)COCCN1C(=O)Cc1ccc(N)cc1	707298903	ACNLJMLNYJLQKB-HNNXBMFYSA-N	262.353	1.839	10	20	CDCD	
COc1ccc(CNC(=O)[C@@]2(C)CCOC2)c(O)c1	794372653	BWHOCVRIGKYQAX-AWEZNQCLSA-N	265.309	1.444	10	20	CDCD	
CC1(C(=O)O)CCN(C(=O)Cc2ccc(N)cc2)CC1	62843041	UDSJQQUSTRANRT-UHFFFAOYSA-N	276.336	1.525	10	20	CDCD	
COCC(=O)NCCC1=CCN(c2ccnc(C)n2)CC1	1089798210	VSSVMDXRGLMGEU-UHFFFAOYSA-N	290.367	1.074	10	20	CDCD	
COC(=O)[C@H]1CCC[C@@H]1NCc1cc2c(cc1O)OCO2	1255733102	LZZVAQXQDUBWQG-QWRGUYRKSA-N	293.319	1.552	10	20	CDCD	
CC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1	1332674494	QGOLCCBMVFDMNN-UHFFFAOYSA-N	275.352	1.024	10	20	CDCD	
CN(C[C@@H]1CCOC1)c1nnc(-c2sccc2O)n1C	1338752799	ZSDOUNZQZZUVHD-VIFPVBQESA-N	294.380	1.722	10	20	CDCD	
CO[C@H]1CCC[C@H]1CNC(=O)NCc1ccc(N)cc1	1338583014	PZTSQPCLEJLIPV-JSGCOSHPSA-N	277.368	1.883	10	20	CDCD	
C[C@@]1(CO)C[C@@H](O)CN1Cc1ccc(N2CCCC2)cc1	1353562128	SYWNLJQGGWTCLR-SJORKVTESA-N	290.407	1.604	10	20	CDCD	
O=C(NCc1cccc(O)c1O)C1(CF)CCC1	1528771778	YDQOUJHUYPGNJV-UHFFFAOYSA-N	253.273	1.854	10	20	CDCD	
CN(C)c1ccc(CN2CCC[C@H](O)[C@H]2C(=O)O)cc1	1610105551	WCANWRVKUCGKHX-KBPBESRZSA-N	278.352	1.163	10	20	CDCD	
O=C(O)CCCCC(=O)OCC(=O)c1ccc(O)c(O)c1	1610768688	IJQBPXXBAOMEIQ-UHFFFAOYSA-N	296.275	1.469	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cnc(N)cn1	1577939326	DHMCAUNAZRBLMS-UHFFFAOYSA-N	293.323	1.180	10	20	CDCD	
COc1cccc(CN[C@H](CC(F)F)C(=O)O)c1O	1599674582	SSVADWSJVQDEDK-MRVPVSSYSA-N	275.251	1.599	10	20	CDCD	
CC[C@H](CNCc1cc(C)cc(OC)c1O)C(=O)O	1595167368	MHXKYTIAZXHTSV-SNVBAGLBSA-N	267.325	1.910	10	20	CDCD	
O=C(O)C1CCN(Cc2ccc(F)c(F)c2O)CC1	1594934271	XONWJGLBNSVOLC-UHFFFAOYSA-N	271.263	1.967	10	20	CDCD	
N#Cc1ccc(C(=O)NCCc2ccc(O)c(O)c2)[nH]1	159826283	SKBKECYEZHAIJL-UHFFFAOYSA-N	271.276	1.270	10	20	CDCD	
O=C(NCC[C@H]1C[C@H]2CC[C@H]1O2)c1cccc(O)c1O	837892349	YFDWURCSGXPTOM-OPQQBVKSSA-N	277.320	1.785	10	20	CDCD	
CCN(Cc1ccccc1O)[C@@H]1CCS(=O)(=O)C1	179557966	YXBNCDSUVZSCET-GFCCVEGCSA-N	269.366	1.401	10	20	CDCD	
Cc1ccc(O)c([C@@H](C)N[C@@H]2CCN(S(C)(=O)=O)C2)c1	400218479	WDCXXSPEZJINCP-VXGBXAGGSA-N	298.408	1.385	10	20	CDCD	
Cc1nnc(CN(C)C(=O)c2cccc(O)c2O)s1	704486402	QHGFWIJACWMDCV-UHFFFAOYSA-N	279.321	1.530	10	20	CDCD	
NC(=O)C1CCN(Cc2cc(F)ccc2O)CC1	179870174	GOUBDNLCYBVMPG-UHFFFAOYSA-N	252.289	1.229	10	20	CDCD	
CCOCCN1CCN(Cc2cccc(C)c2O)CC1	179669334	WJFWNXQQMIEAPT-UHFFFAOYSA-N	278.396	1.855	10	20	CDCD	
CC[C@](C)(O)CNC(=O)NCc1ccc(N(C)C)cc1	171164848	DTUOFQONZJGEKM-HNNXBMFYSA-N	279.384	1.713	10	20	CDCD	
Cc1ccc(F)cc1NC=C1C(=O)N(C)C(=O)N(C)C1=O	60861759	SNZAPCFHQFPCKZ-UHFFFAOYSA-N	291.282	1.480	10	20	CDCD	
Cc1cc(C)c(O)c(CN(C)[C@@H]2CCS(=O)(=O)C2)c1	122441565	AWYSLWNAASCJEG-CYBMUJFWSA-N	283.393	1.628	10	20	CDCD	
COC(=O)CCCN(C)C(=O)c1cccc(O)c1O	126342686	JXAGQTRPRXDNIR-UHFFFAOYSA-N	267.281	1.123	10	20	CDCD	
Cc1ccc(C(=O)NCCc2ccc(O)c(O)c2)nc1	122446145	IHZBOBGYZVTQEP-UHFFFAOYSA-N	272.304	1.774	10	20	CDCD	
C[C@H](NCCS(C)(=O)=O)c1cc2c(cc1O)CCCC2	185226583	UBLWSPUSPBCXCY-NSHDSACASA-N	297.420	1.966	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2c[nH]nc2C2CC2)c1	187354277	HVLYFBOHIQRSPF-UHFFFAOYSA-N	287.319	1.931	10	20	CDCD	
CC(C)(CNC(=O)Cc1ccc(N)cc1)N1CCOCC1	40805190	RYGLSNAZBJVMEE-UHFFFAOYSA-N	291.395	1.038	10	20	CDCD	
CC[C@H](C(=O)Nc1ccc(N)cc1)N1CCCC1=O	236872365	UWHQBNNOMWHSQQ-GFCCVEGCSA-N	261.325	1.608	10	20	CDCD	
C[C@@H](NCCNC(=O)C1CC1)c1cc([N+](=O)[O-])ccc1O	273300236	BEFFWTWQRRNYCG-SECBINFHSA-N	293.323	1.477	10	20	CDCD	
CN(C)c1ccc(CN2CCN(c3nccn3C)CC2)cc1	278493621	JWZKHLKYLQGJTB-UHFFFAOYSA-N	299.422	1.808	10	20	CDCD	
COC(=O)[C@]1(F)CCN(Cc2cccc(C)c2O)C1	271889006	WWGVVRXONZTIFU-AWEZNQCLSA-N	267.300	1.788	10	20	CDCD	
COC(=O)C[C@H](C)CC(=O)NCc1ccc(N(C)C)cc1	288029629	AJSPZCPRIAZSFW-GFCCVEGCSA-N	292.379	1.958	10	20	CDCD	
COc1cccc(CNCN2CCC(=O)CC2)c1O	289495600	SGQCIIIFSWAVIS-UHFFFAOYSA-N	264.325	1.113	10	20	CDCD	
CCCN(CC(=O)OC)Cc1cc2c(cc1O)OCO2	298985293	JWZSLSJBOIEOFL-UHFFFAOYSA-N	281.308	1.506	10	20	CDCD	
CCN(C)C(=O)[C@@H](NC(=O)c1cccc(O)c1O)C(C)C	295641570	OTYGLHDTVUFZTF-LBPRGKRZSA-N	294.351	1.331	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2cccc(O)n2)c1	801615188	DAYAWFUQDYYULJ-SECBINFHSA-N	288.303	1.992	10	20	CDCD	
COCCOc1ccccc1NC[C@H](O)CN(C)C1CC1	819427631	UFXIOBKIIYWYLI-AWEZNQCLSA-N	294.395	1.579	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@@H]2[C@@H]3CCC(=O)[C@H]32)c1	907059568	FEOUFYZGIKNOFT-DDTOSNHZSA-N	275.304	1.242	10	20	CDCD	
Cc1cnc(CN(C)c2ccc(OCC(=O)O)cc2)[nH]1	902015606	GXKFWVPJWRCJNO-UHFFFAOYSA-N	275.308	1.818	10	20	CDCD	
CCN(CC)c1ccc(CN2CCOC[C@@H]2C(=O)O)cc1	901983632	CWBLJYUDONXYCO-OAHLLOKOSA-N	292.379	1.818	10	20	CDCD	
CCc1cccc(CNC[C@H](O)CN2CCCC2)c1O	848895778	XPPZAGSANASRFB-HNNXBMFYSA-N	278.396	1.501	10	20	CDCD	
CCS(=O)(=O)C1CN(Cc2ccc(N(C)C)cc2C)C1	841886381	PMZZOEMOWNBADX-UHFFFAOYSA-N	296.436	1.680	10	20	CDCD	
CN(CC(F)F)C(=O)NCCc1ccc(N)cc1	841958302	YSVHYNIHVMXYGT-UHFFFAOYSA-N	257.284	1.718	10	20	CDCD	
Nc1ccc(Cc2nc(CC(=O)N3CCCC3)no2)cc1	843214793	JWQYWSGSRISNDH-UHFFFAOYSA-N	286.335	1.408	10	20	CDCD	
CC(C)OC(=O)[C@H](C)NC(=O)Nc1ccc(N)cc1	841298134	MNTRHFLLRHGNHJ-VIFPVBQESA-N	265.313	1.730	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NC2CCNCC2)cc1	841656042	VARGMGLCBYWJAP-UHFFFAOYSA-N	276.384	1.304	10	20	CDCD	
C[C@H](NC(=O)[C@@H]1NC(=O)O[C@H]1C)c1ccc(N(C)C)cc1	841423052	KPQYHCGOPWPXTJ-OUJBWJOFSA-N	291.351	1.427	10	20	CDCD	
Cc1[nH]nc(C(=O)NCc2ccc(N(C)C)cc2)c1O	747648593	JAGJXWJDNYMAAT-UHFFFAOYSA-N	274.324	1.420	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN[C@H]1CC(=O)N(C)C1	840933621	QVHDPKOMDAHMIB-ZDUSSCGKSA-N	261.369	1.381	10	20	CDCD	
Cc1cc(Br)cc(CN[C@H]2CCNC2)c1O	841044803	IKHJNRCHKDVEKK-NSHDSACASA-N	285.185	1.915	10	20	CDCD	
CCc1cccc(CN(CCS(C)(=O)=O)C2CC2)c1O	848889571	MJRYABHCGOBNRI-UHFFFAOYSA-N	297.420	1.964	10	20	CDCD	
CN(C(=O)NCCc1ccc(N)cc1)[C@@H]1CCCOC1	841961181	AVVWTZGTPPBHNF-CQSZACIVSA-N	277.368	1.632	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NCCC2(C)OCCO2)c1	858361224	KZOCWPREBBFWBL-UHFFFAOYSA-N	294.351	1.653	10	20	CDCD	
OC1CCN(c2ccc(CN[C@H]3CCOC3)cc2)CC1	850406110	SFJJXUPBQZZRGU-AWEZNQCLSA-N	276.380	1.526	10	20	CDCD	
CONC(=O)CNCc1cc(Cl)cc(Cl)c1O	922829496	BFDFFSBCPWOZDE-UHFFFAOYSA-N	279.123	1.466	10	20	CDCD	
COc1cc(O)c(CN2CC[C@H](C)[C@@H](CO)C2)cc1OC	857062307	ZWGXQNQBCNUXFN-WCQYABFASA-N	295.379	1.860	10	20	CDCD	
CCOCc1cc(CN[C@H]2C[C@H](O)C2)ccc1OC	850417797	MEIRFDGNYCJLNB-HDJSIYSDSA-N	265.353	1.845	10	20	CDCD	
C[C@@H](N[C@H](CO)C1CCOCC1)c1cc(F)ccc1O	757658582	HXRAJMWJFPNXNA-QMTHXVAHSA-N	283.343	1.969	10	20	CDCD	
C[C@@H]1COCCN(Cc2cc3c(cc2O)OC[C@@H]3O)C1	768465946	UEPULPRSCUDMFS-HZMBPMFUSA-N	279.336	1.286	10	20	CDCD	
C[C@H](NC(=O)N[C@H](C)c1ccccc1O)C(=O)N(C)C	868112978	WLZNZLCUELFMPG-ZJUUUORDSA-N	279.340	1.229	10	20	CDCD	
C[C@@H]1C[C@@H](NC[C@@]2(O)CCN(C)C2)c2c(O)ccc(F)c21	762787622	MXKLMPVKGIOCSM-SIVJFFJCSA-N	294.370	1.736	10	20	CDCD	
Cc1cccc(O)c1CNCCC1(O)CCOCC1	877515559	JBTUQZDCVPZAAR-UHFFFAOYSA-N	265.353	1.722	10	20	CDCD	
Cc1ccc(CN2CC[C@@H]3NC(=O)CC[C@@H]3C2)c(O)c1	877628490	IKZQDPSNUFPMKU-OCCSQVGLSA-N	274.364	1.801	10	20	CDCD	
COc1cc(O)c(CNCCN2CCC2)cc1OC	776253893	WMZBZHBRBIYJNC-UHFFFAOYSA-N	266.341	1.205	10	20	CDCD	
Oc1ccccc1CN1CCN(C[C@H]2CCCO2)CC1	778994411	CRXYTIGJPAPDNP-OAHLLOKOSA-N	276.380	1.689	10	20	CDCD	
CCOC[C@H](C)NCc1ccc(N2CCN(C)CC2)cc1	771832555	KDFCKSFCGKQGMP-HNNXBMFYSA-N	291.439	1.953	10	20	CDCD	
NC(=O)[C@@H](OC(=O)c1cccc(O)c1O)c1ccccc1	776282143	PNVUSYCHFWVAEH-ZDUSSCGKSA-N	287.271	1.481	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)NCCC(C)(C)O)c1	773694215	ISPLGYIPHWQTPS-JTQLQIEISA-N	296.367	1.922	10	20	CDCD	
CC[C@H](CO)C(=O)N[C@@H](C)c1cc(OC)ccc1O	779812375	LBTCCLKLKCOYBV-VHSXEESVSA-N	267.325	1.597	10	20	CDCD	
Nc1ccc(CNC(=O)[C@@]2(C(F)(F)F)CCNC2)cc1	1122444957	LGADVUVXOWXHHQ-GFCCVEGCSA-N	287.285	1.427	10	20	CDCD	
C[C@H]1CN(Cc2ccc(N(C)C)c(F)c2)C[C@@H]1O	897684229	LKFJZRRRAGGMSV-HZMBPMFUSA-N	252.333	1.704	10	20	CDCD	
CC(=O)OC[C@H](C)NCc1ccc(N(C)C)c(F)c1	892737945	PLVWJKJROUMGBH-JTQLQIEISA-N	268.332	1.933	10	20	CDCD	
C[C@H](NC(=O)c1cc(O)cs1)[C@@H]1CCCOC1	780782740	UMBUCXOVUYCSNP-DTWKUNHWSA-N	255.339	1.999	10	20	CDCD	
O=C(NCCNCc1cccc(Cl)c1O)C1CC1	164420675	ILCMXHAGVUKBBW-UHFFFAOYSA-N	268.744	1.661	10	20	CDCD	
COCCN(CCN(C)C)Cc1cc(C)cc(OC)c1O	894770911	VFWOWWWGDRRKDC-UHFFFAOYSA-N	296.411	1.719	10	20	CDCD	
COC[C@H]1C[C@@H](O)CN1Cc1cc(C)cc(OC)c1O	895137631	OPNQCRIMJQPYDE-CHWSQXEVSA-N	281.352	1.291	10	20	CDCD	
COC(=O)[C@H](C)NCc1ccc(N2CCN(C)CC2)cc1	793187419	RXDDIQNDGZCTPP-ZDUSSCGKSA-N	291.395	1.090	10	20	CDCD	
CC[C@H](C)N(CC)C(=O)C(=O)NCCc1ccc(N)cc1	1329838617	SZHZQNKKBMHQHJ-LBPRGKRZSA-N	291.395	1.575	10	20	CDCD	
NCCCCNC(=O)NCCCSc1nccs1	1325365166	BNLYFEFCTLHEJS-UHFFFAOYSA-N	288.442	1.663	10	20	CDCD	
C[C@@H](NC(=O)NCc1ccc(N)cc1)C1CCOCC1	1335666040	NXICDTJVCFALJL-LLVKDONJSA-N	277.368	1.883	10	20	CDCD	
Nc1ccc(CNC(=O)NC[C@@H]2CCN(C3CC3)C2)cc1	1262597685	VUYXQWYXHPZRLU-ZDUSSCGKSA-N	288.395	1.552	10	20	CDCD	
Nc1ccc(CNC(=O)NCC2(N)CCCC2)cc1	1262587937	QFMNGJKSTUQQJG-UHFFFAOYSA-N	262.357	1.340	10	20	CDCD	
CCOc1cccc(CC(=O)NCc2ccc(N)cc2)n1	1343574447	BRCBKAWMNJUGNB-UHFFFAOYSA-N	285.347	1.921	10	20	CDCD	
O=C(NCc1ccccc1O)c1cnn2c1NCCC2	1346695662	NWBAERXIBHHJIN-UHFFFAOYSA-N	272.308	1.334	10	20	CDCD	
O=C(O)C[C@H](NC(=O)c1cccc(O)c1O)C1CCCC1	1601906443	YLOHHRXRWMEGEO-NSHDSACASA-N	293.319	1.861	10	20	CDCD	
O=C(O)[C@@H]1OCC[C@@H]1NCc1ccc2c(c1)CCCO2	1602203122	RNLXINAPBHINGB-GXTWGEPZSA-N	277.320	1.343	10	20	CDCD	
O=C(O)c1cnc(SCc2cc(=O)c(O)co2)s1	1608979312	URRGNOZOYPCJKE-UHFFFAOYSA-N	285.302	1.792	10	20	CDCD	
CN(C)c1ccc(/C=C/CNC[C@@]2(O)CCNC2)cc1	1578425861	PPCYEJATVQIHQD-CWDCEQMOSA-N	275.396	1.080	10	20	CDCD	
CCN1CCc2cc(CN[C@@H](COC)CC(=O)O)ccc21	1776877669	ZOUICHADGUIBAA-CQSZACIVSA-N	292.379	1.648	10	20	CDCD	
CCN(C(=O)Cc1ccc(N)cc1)[C@@H](C)CS(C)(=O)=O	237020065	JKKOTJPRPZSUEV-NSHDSACASA-N	298.408	1.093	10	20	CDCD	
Cc1c(CNCc2ccc3c(c2)CCO3)cnn1C	161659197	MHAMQXBCOWDPRP-UHFFFAOYSA-N	257.337	1.953	10	20	CDCD	
CCOc1cccc(CNC[C@@](C)(O)CCOC)c1O	172070712	UKDFJHKGVNNEMA-HNNXBMFYSA-N	283.368	1.668	10	20	CDCD	
CO[C@@H](CNC(=O)c1cccc(O)c1O)C(C)C	279307986	OAIVHORIEYHQSR-NSHDSACASA-N	253.298	1.499	10	20	CDCD	
CCNC(=O)CN(C)Cc1cc(Cl)cc(C(C)=O)c1O	50148923	AMCGOOWDNNKZHE-UHFFFAOYSA-N	298.770	1.816	10	20	CDCD	
Oc1cc2c(cc1CN1CCC(F)(F)C1)OCO2	313316167	FJMNSEFNJMZZBI-UHFFFAOYSA-N	257.236	1.962	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)c1ccc2c(c1)nnn2C	104853190	TVEKWFOYBLQVAF-UHFFFAOYSA-N	296.330	1.946	10	20	CDCD	
CC(C)CNC(=O)CN(C)Cc1ccccc1O	109768945	MEAADIVWJAZNBM-UHFFFAOYSA-N	250.342	1.596	10	20	CDCD	
Cc1ccc(O)c(CN2C[C@@H](CO)OC[C@H]2C)c1	305746834	QWEXIQPSDVUXKJ-YPMHNXCESA-N	251.326	1.282	10	20	CDCD	
Cc1cc(C(=O)N[C@H]2C[C@H](N)C2)c(C)n1-c1ccccn1	1263320544	CDTGNPXABSCKRY-JOCQHMNTSA-N	284.363	1.709	10	20	CDCD	
CCCC[C@@H](NC(N)=O)C(=O)N(C)Cc1ccccc1O	120242482	HUNGGFNUSKPMKJ-GFCCVEGCSA-N	293.367	1.578	10	20	CDCD	
CN(CCO)Cc1ccc(N2CCOCC2)c(F)c1	305730184	LBTZJVPTMSMBJL-UHFFFAOYSA-N	268.332	1.086	10	20	CDCD	
CNC(=O)[C@H](C)CN(C)Cc1cccc(C)c1O	180681343	ZLLJCIQBMNUXRH-LLVKDONJSA-N	250.342	1.515	10	20	CDCD	
COC(=O)C[C@H]1CN(Cc2cccc(C)c2O)CCO1	180286870	MGNSNVZXNIDEFT-ZDUSSCGKSA-N	279.336	1.465	10	20	CDCD	
CCCNC(=O)CCNCc1cc(OC)ccc1O	45072360	AGGYJADJCQDGSB-UHFFFAOYSA-N	266.341	1.407	10	20	CDCD	
COc1cccc(CN2C[C@H](C)NC[C@@H]2C)c1O	86466843	ULOJABSOXFOLES-QWRGUYRKSA-N	250.342	1.583	10	20	CDCD	
CCOc1ccc(O)c(CN2CCN3C(=O)NC[C@@H]3C2)c1	91865377	XTCJXEUWBOAUBG-GFCCVEGCSA-N	291.351	1.000	10	20	CDCD	
COCCN(CC(=O)OC)c1ccc(OC)c(OC)c1	266864554	LUUNISNXDJQNOY-UHFFFAOYSA-N	283.324	1.330	10	20	CDCD	
CCN1CCC[C@@H]1CNC(=O)c1ccc(C)c(O)c1O	267613530	RZMHZYKCKLTMDU-LLVKDONJSA-N	278.352	1.620	10	20	CDCD	
Cc1nn(C)c(Cl)c1/C=C/C(=O)N(C)c1ccn(C)n1	274788924	MTGBPFFCUFUNFL-AATRIKPKSA-N	293.758	1.792	10	20	CDCD	
CN(C)c1ccc(CNCN2CCC(=O)CC2)cc1F	273076227	LPVNAKBCRYVHLJ-UHFFFAOYSA-N	279.359	1.604	10	20	CDCD	
O=C1N[C@@H](c2cccc(Cl)c2O)N2CCSC[C@@H]12	270853564	ZCVKKEBHKOHURL-GXSJLCMTSA-N	284.768	1.591	10	20	CDCD	
C[C@H](NC[C@@H](C)CO)c1cc([N+](=O)[O-])ccc1O	273426610	UHZCKPMMENULJQ-BDAKNGLRSA-N	254.286	1.579	10	20	CDCD	
C[C@H]1CN(Cc2ccc(N(C)C)cc2)CC[S@@](=O)C1	277459170	LFWLEMQSZTWYFR-ORAYPTAESA-N	280.437	1.953	10	20	CDCD	
COCC1(C(=O)NCc2cccc(OC)c2O)CCC1	284745029	HQYQXCUDZDLOCG-UHFFFAOYSA-N	279.336	1.834	10	20	CDCD	
Cc1cc(O)c(CN[C@@H](C)C(=O)NCCF)cc1C	282535340	BSYBBCWXKJRYKW-NSHDSACASA-N	268.332	1.573	10	20	CDCD	
CN(CC(=O)OC(C)(C)C)C(=O)c1c(F)ccc(O)c1O	295027821	HZYSQUIOMHNEIG-UHFFFAOYSA-N	299.298	1.651	10	20	CDCD	
Cc1cc(NC(=O)C(=O)NCc2ccccc2O)sn1	806879963	LWPWHIYTDLNMJT-UHFFFAOYSA-N	291.332	1.412	10	20	CDCD	
COC[C@H](O)CNc1ccccc1OCC1CC1	819451522	MXAOXWCOIFWZLR-GFCCVEGCSA-N	251.326	1.895	10	20	CDCD	
O=C(NCCCSc1nccs1)N1CCO[C@@H]2C[C@@H]21	813681873	UTOCNTHDVPWBBV-VHSXEESVSA-N	299.421	1.808	10	20	CDCD	
CN(C[C@H](O)C1CC1)C(=O)c1c(F)ccc(O)c1O	827425999	NYTQCYVAVQISIG-JTQLQIEISA-N	269.272	1.080	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)CCN1CCOCC1	725886999	ZUIDKSUEUMZOLJ-UHFFFAOYSA-N	278.352	1.073	10	20	CDCD	
COc1ccc(O)c(CNC(=O)CC2(O)CCC2)c1	825838488	AYOCVKSVFIKNFK-UHFFFAOYSA-N	265.309	1.322	10	20	CDCD	
CCOC(=O)/C(=C/c1cncn1CC)c1nccn1C	901464923	PZKMJETZPDAYER-XYOKQWHBSA-N	274.324	1.740	10	20	CDCD	
CN(C)c1ccc(Cn2cc(COC(=N)O)nn2)cc1	900535812	XXMKFGGMPSZNPU-UHFFFAOYSA-N	275.312	1.402	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CN(C)C(C)(C)CO)cc1	839498606	UBWWXNLRLJRTAJ-UHFFFAOYSA-N	293.411	1.072	10	20	CDCD	
COc1ccc(O)c(CN[C@H]2C[C@H]3CCCCN3C2=O)c1	835075365	WYPBBWJKZIGYIW-OCCSQVGLSA-N	290.363	1.644	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)[C@@H]1CCCCS1	910950258	UQPQXMGSBRVVPH-LBPRGKRZSA-N	267.350	2.000	10	20	CDCD	
COC1(OC)CC(NC(=O)c2ccc(C)c(O)c2O)C1	911032212	SSISUBDFALCFBI-UHFFFAOYSA-N	281.308	1.288	10	20	CDCD	
NCCOCCN(Cc1ccccc1O)C[C@@H]1CCCO1	843356080	DOUAJLMJAVJCKT-HNNXBMFYSA-N	294.395	1.349	10	20	CDCD	
CCOc1ccc(CN[C@@H]2CCCN(C)C2=O)c(O)c1	748242790	QQXWVAQEJSMPOO-CYBMUJFWSA-N	278.352	1.501	10	20	CDCD	
COc1cc(C)cc(CN2CCCC[C@@H]2C(N)=O)c1O	915830833	VCCWZZSWECSESU-GFCCVEGCSA-N	278.352	1.549	10	20	CDCD	
OC[C@H](CCF)NCc1ccc(N2CCOCC2)cc1	846097188	NIMMNBNBXGFUBD-AWEZNQCLSA-N	282.359	1.333	10	20	CDCD	
COc1cccc([C@H](C)N[C@H](C)C(=O)NCCF)c1O	846168312	RYIVIIWDWSDJKM-VHSXEESVSA-N	284.331	1.526	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N[C@H](CN)C2CC2)cc1	841656330	ZRNMXMHQQSKNLP-CQSZACIVSA-N	276.384	1.289	10	20	CDCD	
C[C@@H](N)CNC(=O)N(C)Cc1ccc(N(C)C)cc1	841986523	UAVRONOWVTXRMV-LLVKDONJSA-N	264.373	1.241	10	20	CDCD	
COC(=O)[C@@H]1CNCCCN1Cc1cc(Cl)ccc1O	843124107	VEDKUIBFPXZEPK-LBPRGKRZSA-N	298.770	1.383	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCC(O[C@H]2CCOC2)CC1	748509790	DSEQRIKCZKBODO-LBPRGKRZSA-N	297.376	1.864	10	20	CDCD	
C[C@@H]1CSCCN1C(=O)C(=O)Nc1ccc(N)cc1	841045433	VKLLVPYNFRLZIJ-SECBINFHSA-N	279.365	1.171	10	20	CDCD	
CCOC(=O)/C(=C/c1cncc(OC)c1)c1nccn1C	849245770	MPIHYCCCTXMURV-MDWZMJQESA-N	287.319	1.927	10	20	CDCD	
CCOC(=O)CCCOC(=O)/C=C\c1ccc(O)c(O)c1	759593540	CNEBHJMSPCGARM-VURMDHGXSA-N	294.303	1.998	10	20	CDCD	
O=C1NC(=S)S/C1=C/c1cc(O)ccc1[N+](=O)[O-]	751205372	CMDHHMBJLZKMTJ-XBXARRHUSA-N	282.302	1.789	10	20	CDCD	
c1cc2c(cc1CNCc1cnc3n1CCOC3)CCO2	921650946	PILOCASRJLBACZ-UHFFFAOYSA-N	285.347	1.638	10	20	CDCD	
COC[C@H](CCO)N[C@H](C)c1cc(F)cc(F)c1O	756591931	HEURIXRPYASKRE-SCZZXKLOSA-N	275.295	1.718	10	20	CDCD	
C[C@@H](NC(=O)NCC(=O)O)c1ccc(N(C)C)cc1	929042462	FJYUZSREWCWUKY-SECBINFHSA-N	265.313	1.197	10	20	CDCD	
CN(CC(C)(C)CO)C(=O)c1c(F)ccc(O)c1O	857279794	DGBADTPRLDTWQA-UHFFFAOYSA-N	271.288	1.327	10	20	CDCD	
Cc1cccc(-n2c(C)cc(CNS(N)(=O)=O)c2C)c1	859362528	AZYZDMLRBKIZQG-UHFFFAOYSA-N	293.392	1.696	10	20	CDCD	
CN(C)c1cc(F)c(CN(C)[C@@H]2CCNC2=O)cc1F	862253526	OPYNNHWXWBZBDF-GFCCVEGCSA-N	283.322	1.351	10	20	CDCD	
CN1C[C@H](N(C)Cc2ccc(N(C)C)c(F)c2)CCC1=O	862428995	ZFPTZVUWTAFKQM-CYBMUJFWSA-N	293.386	1.944	10	20	CDCD	
CN(C)c1cc(F)c(CN2CCCC[C@H]2C(N)=O)cc1F	862212133	HDWNDFPHSRGVNP-ZDUSSCGKSA-N	297.349	1.871	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)Cn2nccc2C)c1	860241907	MZUWCHSKSQGLGH-LLVKDONJSA-N	289.335	1.783	10	20	CDCD	
Cc1ccc(C(=O)NCCN(C)CC(F)F)c(O)c1O	863809755	HXGUJQRLUZIDET-UHFFFAOYSA-N	288.294	1.333	10	20	CDCD	
CN1CCN(Cc2cc(Cl)cc(F)c2O)CC1=O	775703005	HULIWDZBWJLWGK-UHFFFAOYSA-N	272.707	1.459	10	20	CDCD	
CN1CCN(c2ccc(CNCC(C)(C)O)cc2F)CC1	1116033886	YWXQONJRRLTQHF-UHFFFAOYSA-N	295.402	1.438	10	20	CDCD	
CC[C@H]1CN(Cc2ccc(N3CCOCC3)cc2)C[C@H]1O	770378186	DYVOBNCZYBTFQE-DOTOQJQBSA-N	290.407	1.726	10	20	CDCD	
COCCOCCN[C@H](C)c1ccc(F)cc1O	62748354	FNHCCNOUAFGTBD-SNVBAGLBSA-N	257.305	1.845	10	20	CDCD	
COc1cc(O)c(CNCc2cocn2)cc1OC	776187967	GBAKOYUNDATNLR-UHFFFAOYSA-N	264.281	1.687	10	20	CDCD	
O=C(N[C@H]1CC12CCC2)c1c(F)ccc(O)c1O	881464642	GZDOOGREFVMQGN-VIFPVBQESA-N	251.257	1.909	10	20	CDCD	
COc1ccc(CNC(=O)N[C@@H]2C[C@@H]3CC[C@H]2O3)c(O)c1	1122449340	UYRDGHVHQVMCNL-OUCADQQQSA-N	292.335	1.520	10	20	CDCD	
C[C@@H](NC(=O)NC[C@H]1CCCCN1)c1ccccc1O	891972175	XOTVHJRCBHWDSC-VXGBXAGGSA-N	277.368	1.895	10	20	CDCD	
CCn1cc(CNCc2cc(C)cc(OC)c2O)nn1	895256809	KWPRUYASXKOVFT-UHFFFAOYSA-N	276.340	1.610	10	20	CDCD	
COCCOCCN(C)Cc1ccc(OC)c(OC)c1O	894526832	PLUFMOIKTYGAEE-UHFFFAOYSA-N	299.367	1.504	10	20	CDCD	
COc1ccc(CN[C@](C)(CO)C2CC2)c(O)c1OC	893368791	ZWGOGWFXXIUBHP-OAHLLOKOSA-N	281.352	1.660	10	20	CDCD	
COC(=O)[C@@H](C)NCc1ccc(N2CCOCC2)c(F)c1	793358176	NTBWDDBAEDXEFC-LLVKDONJSA-N	296.342	1.313	10	20	CDCD	
O=C(O)C[C@@H]1COCCN1Cc1cc(F)cc(F)c1O	708091823	YAHBSGGPCLMXGC-SNVBAGLBSA-N	287.262	1.346	10	20	CDCD	
C[C@@H](CS(C)(=O)=O)NCc1cc(F)cc(F)c1O	708465093	BLXHNPNALGLZFL-ZETCQYMHSA-N	279.308	1.193	10	20	CDCD	
CN(C)C(=O)CCCNCc1cc(F)cc(F)c1O	708554639	JSFVVVHEVYAOQG-UHFFFAOYSA-N	272.295	1.628	10	20	CDCD	
COc1ccc(CNC(=O)NCCC(C)(C)O)c(O)c1	793068497	ZTVDZGCBNLWWLD-UHFFFAOYSA-N	282.340	1.361	10	20	CDCD	
O=[N+]([O-])c1ccc(O)c(CN[C@@H](CO)CC2CCC2)c1	793320394	CPBDBOCGFRUVLT-GFCCVEGCSA-N	280.324	1.941	10	20	CDCD	
COc1cccc(O)c1CN1CCN2C(=O)OC[C@@H]2C1	769483854	PAPXRWOCDWUECQ-JTQLQIEISA-N	278.308	1.037	10	20	CDCD	
COC[C@H]1CCN(Cc2cc3c(cc2O)OCO3)C1	96832850	RYXPQZRSGWDTEX-JTQLQIEISA-N	265.309	1.589	10	20	CDCD	
O[C@@H]1CCN(CCNCc2ccc(N3CCCC3)cc2)C1	1329737258	YOPHQSFKVMDAMY-QGZVFWFLSA-N	289.423	1.443	10	20	CDCD	
C[C@H](NC(=O)NCc1ccc(N)cc1)[C@H]1CCCNC1	1335535814	AGTQCIAFKZDNAF-AAEUAGOBSA-N	276.384	1.456	10	20	CDCD	
CCOc1ccc(N2CCN([C@@H]3CCOC3=O)CC2)cc1	1341377650	VFOKZIGYXOWGOT-OAHLLOKOSA-N	290.363	1.523	10	20	CDCD	
COc1cc(C)cc(CN2CCC[C@H](O)[C@H]2C(=O)O)c1O	1607149353	JTOGMAUNVBMXAH-AAEUAGOBSA-N	295.335	1.119	10	20	CDCD	
C[C@H]1OCC[C@@]1(O)CNCc1ccc2c(c1)CCO2	227981462	BGLGKQJGVFRIIT-IAQYHMDHSA-N	263.337	1.251	10	20	CDCD	
CC(=O)c1cc(F)cc(CN[C@H](CN)C(F)(F)F)c1O	1575033585	SCQCULJBLKTAGC-SNVBAGLBSA-N	294.248	1.713	10	20	CDCD	
CCCNC(=O)[C@@H](C)Sc1ncc(C(=O)O)s1	1595916554	YIKZTYFHOYGBKN-ZCFIWIBFSA-N	274.367	1.848	10	20	CDCD	
O=C(CNCc1cccc(Cl)c1O)NC1CC1	158692975	JWPQYZMIYPHOIS-UHFFFAOYSA-N	254.717	1.414	10	20	CDCD	
CCOc1cccc(CNCCCOCCOC)c1O	20192070	NCKQRYQZXBIFCA-UHFFFAOYSA-N	283.368	1.934	10	20	CDCD	
CCOC[C@H](O)CNCc1ccc2c(c1)CCCN2C	312405203	PQGGHRISQUQBGI-OAHLLOKOSA-N	278.396	1.556	10	20	CDCD	
COC[C@@](C)(O)CN[C@H](C)c1cc(C)ccc1O	394590195	IDZKMTRLWNKBOY-RISCZKNCSA-N	253.342	1.749	10	20	CDCD	
CCc1cccc(CN(CC(N)=O)C(C)C)c1O	821984171	UPDFOBGAWHOCIR-UHFFFAOYSA-N	250.342	1.650	10	20	CDCD	
COc1cccc(CNC(=O)NCC2CCOCC2)c1O	174490813	PQODXOLCVODQHA-UHFFFAOYSA-N	294.351	1.627	10	20	CDCD	
CCN(C)CCNC(=O)NCc1ccc(N(C)C)c(F)c1	102004504	DSTCVYKLKMTJPX-UHFFFAOYSA-N	296.390	1.643	10	20	CDCD	
C[C@@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)O	28713135	UCXUCKUTHVUDDW-OHCKJTPYSA-N	252.222	1.127	10	20	CDCD	
C[C@H](NCCCN1CCN(C)CC1)c1ccc(F)cc1O	62745042	VZNQQPUIRCOEOH-ZDUSSCGKSA-N	295.402	1.819	10	20	CDCD	
COC[C@H](C)N(C)C(=O)/C=C/c1ccc(O)c(O)c1	180942495	MIICIKSUDWVFNR-STUBTGCMSA-N	265.309	1.604	10	20	CDCD	
CO[C@@H](C)C(=O)NCc1ccc(N2CCOCC2)cc1	49094335	NMJZZVLRNMXOJK-LBPRGKRZSA-N	278.352	1.174	10	20	CDCD	
CO[C@H]1CN(Cc2cc(F)cc(C(C)=O)c2O)C[C@H]1OC	234863243	QFJNFGQPUOWQOC-OKILXGFUSA-N	297.326	1.580	10	20	CDCD	
CCN(CC)c1ccc(CN(CCO)CCCO)cc1	93324174	IQZXEARSUHLWSZ-UHFFFAOYSA-N	280.412	1.710	10	20	CDCD	
C[C@H](NC[C@@H]1COCCN1)c1cc(Cl)ccc1O	530226375	OWVINMBZQYCJSM-GXSJLCMTSA-N	270.760	1.685	10	20	CDCD	
Cc1ccc(C(=O)N2CC[S@@](=O)C[C@H](C)C2)c(O)c1O	277706825	WIZQNIPURYXVHU-GSDQLPOLSA-N	297.376	1.247	10	20	CDCD	
COC(=O)[C@H](C)N(C)C(=O)/C=C/c1ccc(O)c(O)c1	281479460	DBKXYYHDWGSVOD-IWGCBNPKSA-N	279.292	1.131	10	20	CDCD	
O=C(NOCCC(F)(F)F)c1c(F)ccc(O)c1O	295784662	QZIXBHONANDBQN-UHFFFAOYSA-N	283.177	1.851	10	20	CDCD	
CC[C@@H](NC(=O)c1cccc(O)c1O)C(OC)OC	298874017	GXMOQCGWOPPXKO-SECBINFHSA-N	269.297	1.225	10	20	CDCD	
CC(=O)C(=O)COC(=O)CCc1c[nH]c2ccccc12	808483834	XMDHPCMZRDWCEV-UHFFFAOYSA-N	273.288	1.802	10	20	CDCD	
NC(=O)[C@H]1CC[C@H](CNC(=O)c2cc(O)cs2)CC1	817765897	GMYNLJJVFDTCCP-KYZUINATSA-N	282.365	1.475	10	20	CDCD	
COCCn1ccc(C(=O)NCCc2ccc(N)cc2)n1	818544735	JTFNVKSNAZFYFL-UHFFFAOYSA-N	288.351	1.084	10	20	CDCD	
NC(=O)[C@H]1CN(Cc2ccc3ccccc3c2O)CCO1	816499668	WUOFPSOUTQBOMY-CQSZACIVSA-N	286.331	1.232	10	20	CDCD	
CNC(=O)CN(C)Cc1c(O)ccc(Cl)c1F	827862691	NMXWXDINFSLUAI-UHFFFAOYSA-N	260.696	1.363	10	20	CDCD	
CN1CCCc2cc(CNC(=O)[C@@H]3NCC3(C)C)ccc21	827914159	ZNJCHEKQHTVYGT-HNNXBMFYSA-N	287.407	1.683	10	20	CDCD	
COC(OC)C(=O)NCc1ccc(N(C)C)cc1C	820041452	MEADJCFCGPQVIX-UHFFFAOYSA-N	266.341	1.296	10	20	CDCD	
COc1ccc(O)c(CNC(=O)COc2cc(C)on2)c1	734018020	AMRDHULWICHNEN-UHFFFAOYSA-N	292.291	1.392	10	20	CDCD	
CN(C)CC1(C(=O)N(C)Cc2ccccc2O)CC1	820879063	OMNRMPBRQMOSLL-UHFFFAOYSA-N	262.353	1.692	10	20	CDCD	
C/C(=C\CN1CCOc2cc(N(C)C)ccc21)C(=O)O	833383830	QMCDPXRVWQBSJZ-IZZDOVSWSA-N	276.336	1.982	10	20	CDCD	
COc1ccc(N(Cc2nnn(C)n2)CC2CC2)cc1	831588008	QUUWYOREQDFHCT-UHFFFAOYSA-N	273.340	1.635	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)[C@H]1CCCC12OCCO2	910945921	DWEFVEKAYYADQW-GFCCVEGCSA-N	293.319	1.257	10	20	CDCD	
C[C@@H]1C[C@H](C(=O)NCc2ccc(O)cc2O)CCO1	910948830	BEADCTNLZKNWJW-NXEZZACHSA-N	265.309	1.529	10	20	CDCD	
C[C@@H](Cc1cnc[nH]1)C(=O)NCc1ccc(O)c(O)c1	847590571	ATKZOTCFVQBOJP-VIFPVBQESA-N	275.308	1.316	10	20	CDCD	
C[C@@H](Cc1cnc[nH]1)C(=O)NCc1ccc(N(C)C)cc1	847296340	FLCVHWGLVBDCEH-LBPRGKRZSA-N	286.379	1.971	10	20	CDCD	
COc1cc(O)c(CN2CCN[C@@H](C)[C@@H]2C)cc1OC	843057819	LVOCMMDCIYRZKL-QWRGUYRKSA-N	280.368	1.592	10	20	CDCD	
CN(C)c1ccc(CN(C)C2CC(N)C2)cc1F	843125452	WXZKYJILPFNQSV-UHFFFAOYSA-N	251.349	1.813	10	20	CDCD	
CCN(C)c1ccc(CN2CCO[C@H](CC(=O)O)C2)cc1	846272576	JDKMZPYLZRBWEW-OAHLLOKOSA-N	292.379	1.818	10	20	CDCD	
C[C@H](NC[C@H](O)Cn1ccnn1)c1ccc(N(C)C)cc1	840808875	YBODVUQQMLKTEP-WFASDCNBSA-N	289.383	1.056	10	20	CDCD	
O=C(NCc1ccc(N2CC=CC2)cc1)NCc1cc[nH]n1	741078614	MAJLHCWEXKQYKS-UHFFFAOYSA-N	297.362	1.785	10	20	CDCD	
COCC1(CNC(=O)NCCc2ccc(N)cc2)CCC1	841895894	HIHZYEGMCKOECH-UHFFFAOYSA-N	291.395	1.927	10	20	CDCD	
Cc1ccc(C(=O)N[C@H]2CO[C@H](C)C2)c(O)c1O	844106717	NGUNYZXVVUGFJH-RKDXNWHRSA-N	251.282	1.313	10	20	CDCD	
CCN1C[C@@H](c2nc(Cc3ccc(N)cc3)no2)CC1=O	843158256	AOZBFQVPYNANBB-NSHDSACASA-N	286.335	1.578	10	20	CDCD	
CCOc1ccc(CN2CC[C@H](N)[C@H](C)C2)c(O)c1	843051097	DZPPKIPGOVQIJL-RISCZKNCSA-N	264.369	1.960	10	20	CDCD	
Cc1cc(Br)cc(CN[C@H]2[C@@H]3CNC[C@@H]32)c1O	841079064	WPLVQKYPFOUGEL-GDNZZTSVSA-N	297.196	1.771	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)c2cc(C)nn2C)c1	862758768	KNFOAGGFDXOTLT-UHFFFAOYSA-N	259.309	1.673	10	20	CDCD	
NC(=O)[C@H]1CCCN1Cc1c(O)cccc1Br	862387738	PMVPPVQGWIFKNW-SNVBAGLBSA-N	299.168	1.604	10	20	CDCD	
CCOc1ccc(CN(C)CCC(=O)NC)c(O)c1	769317048	PPYSYRLVFHSTKY-UHFFFAOYSA-N	266.341	1.359	10	20	CDCD	
C[C@H]1C(=O)N(Cc2ccc(N3CC=CC3)cc2)C(=O)N1C	761378816	JDADXBKMLAYIGC-LBPRGKRZSA-N	285.347	1.845	10	20	CDCD	
CS/C=C/C(=O)NCCc1ccc(O)c(O)c1	767786396	OGZLXWWNALCIPK-FNORWQNLSA-N	253.323	1.633	10	20	CDCD	
Cc1ccc(CN2CCC[C@H]2C(=O)NC2CC2)c(O)c1	876596901	VITNDULLIPFFAH-AWEZNQCLSA-N	274.364	1.944	10	20	CDCD	
Cc1ccc(CN2CCN(CC(C)(C)O)CC2)c(O)c1	876679178	NAHRVKZQJUALIK-UHFFFAOYSA-N	278.396	1.589	10	20	CDCD	
Cc1cnn(CCC(=O)N(C)c2ccc(N)cc2)c1	877077543	MHJWJGMDBVXOHF-UHFFFAOYSA-N	258.325	1.827	10	20	CDCD	
COc1ccc(O)c(CN(C)CC(=O)N2CCCC2)c1	132704067	BUMBDQOYHQXMGK-UHFFFAOYSA-N	278.352	1.455	10	20	CDCD	
COc1cc(O)c(CNCCN2CC[C@@H](C)C2)cc1OC	777483254	KINOWXRHMWRFKZ-GFCCVEGCSA-N	294.395	1.841	10	20	CDCD	
COc1ccc(O)c(CNCCCNc2ncccn2)c1	775760930	ZBAVKCXADHTKBA-UHFFFAOYSA-N	288.351	1.783	10	20	CDCD	
CCOC(=O)[C@H]1CCN(C(=O)c2ccc(C)c(O)c2O)C1	884739909	ZHDGMQFSQQOTFM-JTQLQIEISA-N	293.319	1.431	10	20	CDCD	
C/C=C/C[C@@H](CO)NCc1c(O)cccc1OC	883090043	AUQFGMRGEUIQMN-UFFNRZRYSA-N	251.326	1.818	10	20	CDCD	
CC[C@@H](O)CCCNC(=O)c1ccc(C)c(O)c1O	780954877	AGXHGIIHCROMAF-SNVBAGLBSA-N	267.325	1.687	10	20	CDCD	
CC[C@@H](O)CCNCc1ccc(OC)c(OC)c1O	893161958	ZXEMKCBFAOJCBP-LLVKDONJSA-N	269.341	1.660	10	20	CDCD	
COc1cc(C)cc(CN[C@@H](CO)CC(F)F)c1O	894568018	VAJFHAHRKBXYML-SNVBAGLBSA-N	275.295	1.815	10	20	CDCD	
COC[C@H](CO)NCc1c(O)ccc(Cl)c1F	793324151	IJAUYOHZCXPFOT-ZETCQYMHSA-N	263.696	1.282	10	20	CDCD	
COc1ccc(CNC(=O)C[C@@H]2CCOC2)c(O)c1	794379797	WMBQQQYEQHLNFM-JTQLQIEISA-N	265.309	1.444	10	20	CDCD	
Cc1ccc([C@@H](C)NC[C@H](C)S(C)(=O)=O)c(O)c1	697580938	XUICKBNNTCHNMZ-WDEREUQCSA-N	271.382	1.784	10	20	CDCD	
Oc1ccccc1CNCc1nc([C@@H]2CCCO2)n[nH]1	1329114073	NITFFJJSRYBVAV-LBPRGKRZSA-N	274.324	1.652	10	20	CDCD	
CCOC(=O)[C@@H](NC(=O)c1ccc(C)c(O)c1O)C1CC1	1320065143	FYJNGHITGCIGCX-NSHDSACASA-N	293.319	1.478	10	20	CDCD	
COC(=O)[C@H]1C[C@H](OC)CCN1Cc1ccc(N)cc1	1335289580	PATGALVOQDQYPM-ZIAGYGMSSA-N	278.352	1.421	10	20	CDCD	
COC(=O)[C@@H]1CCN(C(=O)NCc2ccc(N)cc2)[C@@H]1C	1337070019	GHTLXFIRZNBGIX-ZWNOBZJWSA-N	291.351	1.362	10	20	CDCD	
C=CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	1335323605	GXVLFKSCHBBUNG-AWEZNQCLSA-N	261.369	1.658	10	20	CDCD	
CCN(C[C@@H]1CN(C)C(=O)O1)c1ccc(OC)cc1	1347643709	UCLRMQAYXZQHGZ-ZDUSSCGKSA-N	264.325	1.972	10	20	CDCD	
C[C@@H](Cc1cnn(C)c1)C(=O)NCc1cccc(O)c1O	1263894498	JKHDRJFSYPAIFB-JTQLQIEISA-N	289.335	1.326	10	20	CDCD	
COC(=O)CC1(NCc2ccc(N)cc2)CCOCC1	1345160653	XAWIABYJXUNWET-UHFFFAOYSA-N	278.352	1.471	10	20	CDCD	
COc1ccc(CNC[C@@](C)(O)C(C)C)c(O)c1OC	1262361987	CPRKVLXLUYHOIK-OAHLLOKOSA-N	283.368	1.906	10	20	CDCD	
COC(=O)[C@H]1C[C@H](O)CN1Cc1ccc(N(C)C)cc1C	1348492954	NDGNBHHHPWZWEO-LSDHHAIUSA-N	292.379	1.169	10	20	CDCD	
CCO[C@H]1C[C@H]1C(=O)NCc1cccc(O)c1O	1520510110	WQEMEXHWTMTONI-KOLCDFICSA-N	251.282	1.139	10	20	CDCD	
C[C@H](NC[C@@H]1C[C@@H]1C)c1cccc(-c2nn[nH]n2)c1O	1589978574	OWWOJUCPTVUBNP-GUBZILKMSA-N	273.340	1.879	10	20	CDCD	
Cc1ccc([C@H](C)N[C@H](C)C(=O)N(C)C)c(O)c1	36793765	DWEHATMDEKGMDI-WDEREUQCSA-N	250.342	1.828	10	20	CDCD	
CCNC(=O)[C@@H](C)N[C@H](C)c1ccc(N(C)C)cc1	37268344	DGTIZGYZUPXSAC-VXGBXAGGSA-N	263.385	1.928	10	20	CDCD	
Cc1ccc(O)c([C@H](C)NC[C@@H]2CCS(=O)(=O)C2)c1	38083265	RCJRJCPSWZXEIY-RYUDHWBXSA-N	283.393	1.786	10	20	CDCD	
COC(=O)[C@H]1C[C@H]1C(=O)NCc1ccc(N(C)C)cc1	171193387	JFWYUWXLKKCSQV-OLZOCXBDSA-N	276.336	1.178	10	20	CDCD	
CCN(CC)c1ccc(CNC[C@H](O)COC)cc1	71269342	FCXNFGUTDYMPQH-HNNXBMFYSA-N	266.385	1.630	10	20	CDCD	
Oc1cc2c(cc1CN[C@@H]1CCC[C@H]1O)OCO2	323289153	NKFVWYGDGLIIPJ-NXEZZACHSA-N	251.282	1.124	10	20	CDCD	
CC1(CNCc2ccc(N3CCOCC3)cc2)COC1	83523017	HYKUROSANUMFRP-UHFFFAOYSA-N	276.380	1.649	10	20	CDCD	
CCCN1CC[C@@H](NCc2cc3c(cc2O)OCO3)C1	389283193	VDJLWWWDNFKEFT-GFCCVEGCSA-N	278.352	1.695	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)c2cn[nH]c2)c1	170900706	CRNQAWWRRKIUCT-QMMMGPOBSA-N	261.281	1.615	10	20	CDCD	
O=C(O)[C@@H]1[C@H]2CN(Cc3ccc(Cl)cc3O)C[C@H]21	1602204591	MKCJMKOUIXYLRZ-IAZYJMLFSA-N	267.712	1.808	10	20	CDCD	
Cc1ccc(C(=O)N(C)CC2(O)CCCC2)c(O)c1O	182893530	BCOPEUWXOOZJHS-UHFFFAOYSA-N	279.336	1.783	10	20	CDCD	
O=C(N[C@H]1CCC[C@H]1C(=O)O)c1cccc(O)c1O	126041988	USAFUMHNTZDMQT-APPZFPTMSA-N	265.265	1.081	10	20	CDCD	
COC(=O)[C@@H]1[C@H](O)CCCN1Cc1cccc(Cl)c1O	188785539	UDIHKEIHLODYRR-NEPJUHHUSA-N	299.754	1.544	10	20	CDCD	
Cc1ccc(O)c([C@@H](C)N[C@H](C)CN2CCN(C)CC2)c1	185392001	KZVVIQTWJRVYIQ-HUUCEWRRSA-N	291.439	1.987	10	20	CDCD	
O=C(NCc1ccccc1O)[C@@H]1COc2ccccc2O1	133778977	WWDQTDKCHSJCDP-HNNXBMFYSA-N	285.299	1.848	10	20	CDCD	
O=C(NC1(c2nnc[nH]2)CCC1)c1cccc(O)c1O	194285446	HLLMBXDPGNEKSZ-UHFFFAOYSA-N	274.280	1.025	10	20	CDCD	
CCn1nncc1CNCc1c(O)cccc1Cl	527729389	VSCSUTYWFBLMTE-UHFFFAOYSA-N	266.732	1.947	10	20	CDCD	
CN(C)C[C@](C)(O)CNCc1ccc(N2CCCC2)cc1	228723966	CSBMYFRPYHMPSS-QGZVFWFLSA-N	291.439	1.689	10	20	CDCD	
COC[C@H](CCO)N[C@@H](C)c1cc(C)ccc1O	230663245	YYMAIIZEZUQQON-RYUDHWBXSA-N	253.342	1.749	10	20	CDCD	
CCO[C@@H](CCN(C)C)CNC(=O)Cc1ccc(N)cc1	237044790	ICSGUEJERHHFGT-HNNXBMFYSA-N	293.411	1.284	10	20	CDCD	
OC[C@]1(NCc2ccccc2O)COc2ccccc2C1	527769950	TZUDDXWQCZGNIO-KRWDZBQOSA-N	285.343	1.848	10	20	CDCD	
COC(=O)c1cnc(SCC(=O)N2CCCC2)s1	294908020	BEGJILJBTQBWPW-UHFFFAOYSA-N	286.378	1.644	10	20	CDCD	
CCOc1ccc(O)c(CN[C@@H]2CCN(CCOC)C2)c1	264630506	TZYWFVOTJJXCSB-CQSZACIVSA-N	294.395	1.601	10	20	CDCD	
COc1cccc(CNC(=O)[C@@H]2CSCCS2)c1O	267523891	QXYAKPQBIYBTDE-NSHDSACASA-N	299.417	1.866	10	20	CDCD	
COCCN(CC(F)F)C(=O)c1ccc(C)c(O)c1O	271315245	WIDIYXUNVNVUGU-UHFFFAOYSA-N	289.278	1.760	10	20	CDCD	
CCCNC(=O)NC(=O)CN(C)c1ccc2c(c1)OCO2	270086782	ADNMVDNVQDQYAU-UHFFFAOYSA-N	293.323	1.087	10	20	CDCD	
Cc1ccc(C(=O)N2CC[C@](O)(C3CC3)C2)c(O)c1O	373344055	LRBKRIDLAYGUQG-OAHLLOKOSA-N	277.320	1.393	10	20	CDCD	
CN(C)c1ccc(CNCN2CCC(=O)CC2)cc1	273135234	VRAGUTIQIGFPLD-UHFFFAOYSA-N	261.369	1.465	10	20	CDCD	
CCCCN(Cc1ccccc1O)C(=O)CS(C)(=O)=O	282359781	BFKQKXCIUCUPKW-UHFFFAOYSA-N	299.392	1.566	10	20	CDCD	
C[C@H]1C[C@@H](CO)CCN1C(=O)/C=C/c1ccc(O)c(O)c1	291935307	PFVJICPLPRBDGZ-JZLDWQBISA-N	291.347	1.730	10	20	CDCD	
CC[C@@H](N[C@H]1COC[C@@H]1OC)c1ccccc1O	290258584	UXTUDYDDUFUUPT-DYEKYZERSA-N	251.326	1.847	10	20	CDCD	
CN(C)CC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	298720014	QHFMGWJOQKLVIL-UHFFFAOYSA-N	275.396	1.805	10	20	CDCD	
CCCN(CC(N)=O)Cc1cc(Cl)cc(F)c1O	814177890	TWSSEURAGNRLDI-UHFFFAOYSA-N	274.723	1.882	10	20	CDCD	
CN(C)c1ccc(CN[C@@H](C2CC2)[C@@H]2CNCCO2)cc1	817896936	ZMWBXGMGTLYLOY-IRXDYDNUSA-N	289.423	1.609	10	20	CDCD	
Oc1cccc2c1[C@H](NCCCN1CCNCC1)CC2	817935588	JFFRRUHZARYGAP-CQSZACIVSA-N	275.396	1.264	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCC(=O)NC2)c1	728983302	XLKZWGDJPTUZKR-VHSXEESVSA-N	292.335	1.104	10	20	CDCD	
C[C@H](NC1CC1)C(=O)NCCCSc1nccs1	829527837	HACPPMAHPUAJPA-VIFPVBQESA-N	285.438	1.882	10	20	CDCD	
CNC(=O)C1(NC(=O)c2cc(O)cs2)CCCC1	825287362	KCOWHELEEQFDCS-UHFFFAOYSA-N	268.338	1.242	10	20	CDCD	
CCCONC(=O)NCc1cccc(OC)c1O	828276872	DUBBZIVDTQNWBK-UHFFFAOYSA-N	254.286	1.542	10	20	CDCD	
CC[C@H](NC1(C(=O)NCCOC)CC1)c1ccccc1O	839193590	TWHGRBNRHHYNNJ-ZDUSSCGKSA-N	292.379	1.728	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1ncc[nH]1	831925559	YVHDTIVXNWJOIY-VIFPVBQESA-N	275.308	1.111	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)N[C@H]1CC12CCNCC2	831173147	OAQHSNBOLPOFRJ-AWEZNQCLSA-N	289.379	1.676	10	20	CDCD	
COc1cccc(CNC(=O)C2(C(=O)O)CCC2)c1O	911336129	AODPSPBSMROEBS-UHFFFAOYSA-N	279.292	1.272	10	20	CDCD	
Cn1cc(/C=C/C(=O)N2CCOc3ncccc32)cn1	748757226	AEZNXDUBZUPORP-SNAWJCMRSA-N	270.292	1.254	10	20	CDCD	
Nc1ccc(CCNC(=O)N[C@@H]2CCC[C@H]2CCO)cc1	841883750	ZVWGCIHJNIQPKI-DZGCQCFKSA-N	291.395	1.662	10	20	CDCD	
C[C@H]1C[C@@H](C)CN(C(=O)C(=O)Nc2ccc(N)cc2)C1	841010529	PEKGAFWASNMWTN-PHIMTYICSA-N	275.352	1.712	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN(C)[C@H]1CCNC1=O	840921486	TXHPFRYEJTZEJB-AWEZNQCLSA-N	261.369	1.381	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@H]2CNCCC2(F)F)cc1	844166693	PTMAUHWGFRKBJY-ZDUSSCGKSA-N	297.349	1.614	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@H]2CCCNC2)c1O	841042208	FSKITAZESGBFOF-JTQLQIEISA-N	281.312	1.151	10	20	CDCD	
Oc1ccc(F)cc1CN[C@@H]1CCN(CC(F)F)C1	841894651	SKKYHECNZURMOZ-LLVKDONJSA-N	274.286	1.960	10	20	CDCD	
Oc1ccc(Cl)cc1CN1CC(N2CC[C@@H](O)C2)C1	846068527	WEMUALJRALZXCR-CYBMUJFWSA-N	282.771	1.296	10	20	CDCD	
CNc1nnc(SCC(=O)c2ccc(O)c(O)c2)s1	746241966	HXNMCFGQEVNCAN-UHFFFAOYSA-N	297.361	1.966	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NC[C@@H]2CCCN2)cc1F	841762056	USBNRVPOERDYTH-LBPRGKRZSA-N	294.374	1.443	10	20	CDCD	
COc1cc(O)c(CN[C@@H]2CC23CCNCC3)cc1OC	841079307	LLVOTFZDTXBYFW-OAHLLOKOSA-N	292.379	1.641	10	20	CDCD	
CC(C)C[C@H](N)C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1	841846764	TYNKZAGSGWWKEU-LSDHHAIUSA-N	292.427	1.242	10	20	CDCD	
O=C(OCCCCCCO)c1cccc(O)c1O	758559903	TVTXRWGGRYJUGS-UHFFFAOYSA-N	254.282	1.807	10	20	CDCD	
CC[C@@H](C)N(CC(=O)OC)C(=O)c1cc(O)cs1	854333559	WVRNMWPFPBDSIK-MRVPVSSYSA-N	271.338	1.867	10	20	CDCD	
CN(C)c1cc(F)c(CNCCS(C)(=O)=O)cc1F	858115293	CREVUIILLLUXBF-UHFFFAOYSA-N	292.351	1.165	10	20	CDCD	
CCN(CCN)C(=O)NCc1ccc(N(C)C)c(F)c1	861570937	QPVBUYYHCQOCHB-UHFFFAOYSA-N	282.363	1.382	10	20	CDCD	
COc1cccc(O)c1CN1CCC[C@@H]1c1nncn1C	769525330	TWJANHSPLIQKLY-GFCCVEGCSA-N	288.351	1.866	10	20	CDCD	
CN(C)c1cc(F)c(CN2CCS(=O)CC2)cc1F	862241604	XFYCLIOQSQGWPB-UHFFFAOYSA-N	288.363	1.595	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)Cc2nnc(C)s2)c1	862754796	KRDUWNQHYCDGTO-UHFFFAOYSA-N	277.349	1.719	10	20	CDCD	
CO[C@H]1CCN(Cc2cc3c(cc2O)OC[C@H]3O)C1	768464733	SWWZERAQXNWLFI-GXFFZTMASA-N	265.309	1.039	10	20	CDCD	
C[C@@H](NC(=O)NC[C@H]1C[C@H](O)C1)c1ccc(N(C)C)cc1	875507889	MPKWMEYCWKUJAO-LALPHHSUSA-N	291.395	1.884	10	20	CDCD	
Cc1cccc(O)c1CNCc1nc(C2CC2)n[nH]1	877560494	SHVYNGYQZYUWMY-UHFFFAOYSA-N	258.325	1.986	10	20	CDCD	
COCc1noc(CN(C)c2ccc(OC)c(OC)c2)n1	777564400	YGPGNYNBLSXQBR-UHFFFAOYSA-N	293.323	1.870	10	20	CDCD	
CN(CC(=O)N=S(C)(C)=O)c1ccc2c(c1)OCO2	878302886	ZVWQWEVYVGFHHM-UHFFFAOYSA-N	284.337	1.106	10	20	CDCD	
CCS(=O)(=O)NCCCNCc1ccc(C)cc1O	876991597	RCEUKIRRUAZPKX-UHFFFAOYSA-N	286.397	1.120	10	20	CDCD	
CCO[C@@H]1C[C@H](NCc2c(O)cccc2OC)[C@H]1OC	775978932	PIBDSDALZOELRA-NILFDRSVSA-N	281.352	1.683	10	20	CDCD	
CC[C@@H](N)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	1122328379	HUWVXSSXLDYGFH-CABCVRRESA-N	292.427	1.209	10	20	CDCD	
O=C1CC2(CCN(Cc3cc(F)cc(F)c3O)CC2)CN1	894032609	OEOBOXIIIPCOBB-UHFFFAOYSA-N	296.317	1.773	10	20	CDCD	
O=C(NN1Cc2ccccc2C1=O)c1cc(O)cs1	782131922	BHZBLYQBXIGBRN-UHFFFAOYSA-N	274.301	1.755	10	20	CDCD	
COc1cc(C)cc(CN(C)C2CC(O)C2)c1O	894461871	KTMLWFFCFCWHTB-UHFFFAOYSA-N	251.326	1.664	10	20	CDCD	
COCC(COC)NCc1cc(F)cc(F)c1O	708536298	YXZQBCFZGMKNTQ-UHFFFAOYSA-N	261.268	1.421	10	20	CDCD	
COCC1(C)CN(C(=O)c2ccc(C)c(O)c2O)C1	790426670	MPGVVEJBTLFATB-UHFFFAOYSA-N	265.309	1.515	10	20	CDCD	
CCOCCO[C@H](C)C(=O)NCc1ccc(OC)cc1O	794377105	MHTJEQYMRYJEAM-LLVKDONJSA-N	297.351	1.459	10	20	CDCD	
CN(CCC1CC1)C(=O)C(=O)N(C)Cc1ccccc1O	1330995685	DXBPRADCAQWFTB-UHFFFAOYSA-N	290.363	1.609	10	20	CDCD	
COc1ccc(CNC(=O)[C@H]2CCC[C@@H]2OC)c(O)c1	1358185377	KGFCOBXXXKUNOE-JSGCOSHPSA-N	279.336	1.832	10	20	CDCD	
C[C@@]1(C(=O)O)CCCN1C(=O)c1cc(O)cs1	1603293129	XGGUYPWXAZUINL-NSHDSACASA-N	255.295	1.533	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC[C@]1(C(=O)O)CCOC1	1600236297	RGPZWTCFAOMJSP-MRXNPFEDSA-N	292.379	1.642	10	20	CDCD	
CC(C)(N)CNC(=O)NCc1c(O)cccc1F	1575358385	PPPUKBIMWWCPOP-UHFFFAOYSA-N	255.293	1.068	10	20	CDCD	
C[C@@H](NCCc1cnn(C)c1)c1cc(C(=O)O)ccc1O	1593275397	SMASJSBTGVFUIM-SNVBAGLBSA-N	289.335	1.717	10	20	CDCD	
O=C(NC[C@@H](C(=O)O)C1CCC1)c1c(F)ccc(O)c1O	1594736843	VZEMKARRYMMNIR-MRVPVSSYSA-N	297.282	1.468	10	20	CDCD	
C[C@@H]1CCC[C@@]1(O)CNC(=O)Nc1ccc(N)cc1	841300692	ZZXZHZOMILHRQQ-QMTHXVAHSA-N	263.341	1.941	10	20	CDCD	
CC(C)OCCn1cc(COc2ccc(N)cc2)nn1	881022128	DHOZZXAIYGUBDH-UHFFFAOYSA-N	276.340	1.864	10	20	CDCD	
Cc1cccc(O)c1CN[C@@H](CO)C[C@H]1CCCO1	895749637	UOQYBWLUBPAVHP-CHWSQXEVSA-N	265.353	1.720	10	20	CDCD	
CN(C)c1ccc(CNC(=O)C[C@H]2CCCN2)cc1	42171306	PFWHHSCNDUDLHV-CYBMUJFWSA-N	261.369	1.511	10	20	CDCD	
COCC[C@@H](CO)N[C@H](C)c1cc(OC)ccc1O	281567910	KGXRHSIAQCVCIR-MNOVXSKESA-N	269.341	1.449	10	20	CDCD	
Oc1ccc(F)cc1CNC[C@@H]1CN2CCC[C@H]2CO1	300416291	OOWAKBVNYSEMQF-UONOGXRCSA-N	280.343	1.484	10	20	CDCD	
CNC(=O)C[C@H](C)NCc1cc(OC)ccc1O	323041440	OQMVGSOOGXYXDU-VIFPVBQESA-N	252.314	1.015	10	20	CDCD	
CCOC[C@@H]1CN(Cc2cc(OC)ccc2O)CCO1	529667488	WWXBLDQUWIZPMA-AWEZNQCLSA-N	281.352	1.638	10	20	CDCD	
CN1CCC[C@H](NCc2cccc(Cl)c2O)C1=O	704314441	CWZCSHBNQXDKJG-NSHDSACASA-N	268.744	1.756	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CCCCNC(N)=O)cc1	8172215	LMMLAOMFQCHDHG-UHFFFAOYSA-N	292.383	1.207	10	20	CDCD	
COCCOCCC(=O)NCc1ccc(N(C)C)c(F)c1	58734124	LFHGRNUHRDWEQE-UHFFFAOYSA-N	298.358	1.561	10	20	CDCD	
COc1cccc(CN2CCC[C@@H](OCCO)C2)c1O	179577740	FUKHVOBDBAFZDP-CYBMUJFWSA-N	281.352	1.374	10	20	CDCD	
Cc1cccc(CN2CCN(C[C@@H](C)O)CC2)c1O	188736462	UMOMGWBZBMYPJN-CYBMUJFWSA-N	264.369	1.199	10	20	CDCD	
CN(C)c1ccc(CNS(=O)(=O)CCCF)cc1F	175547821	YLIHGMUKVSHRTL-UHFFFAOYSA-N	292.351	1.671	10	20	CDCD	
COc1cccc(CNC[C@](C)(O)c2ccco2)c1O	174531487	ZDKIMGCLDWOSME-HNNXBMFYSA-N	277.320	1.991	10	20	CDCD	
COC[C@H]1CN(Cc2cc(C)c(C)cc2O)CCO1	172921825	NCKKVPPBYNTFRO-CQSZACIVSA-N	265.353	1.856	10	20	CDCD	
COc1cccc(CNC(=O)N[C@@H]2CCSC2)c1O	74821723	JYNFVQKMRJACGT-SNVBAGLBSA-N	282.365	1.706	10	20	CDCD	
COC(=O)[C@@H]1CN(Cc2ccc(N(C)C)c(F)c2)CCO1	131694045	CWHLUISAFXKJOE-AWEZNQCLSA-N	296.342	1.266	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2cnsn2)cc1	47816809	UCKUJUZWCKZWLC-UHFFFAOYSA-N	262.338	1.534	10	20	CDCD	
COCC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	98094047	IFVGLTBUSCQWPI-UHFFFAOYSA-N	296.342	1.049	10	20	CDCD	
Cc1cc(O)c(CN2CCNC(=O)C2(C)C)cc1C	93084484	GGOXBOTYXMWEQD-UHFFFAOYSA-N	262.353	1.719	10	20	CDCD	
O=C1NC(=S)S/C1=C/c1nccn1CC(F)(F)F	255513902	FVJAWTLMROHYND-HWKANZROSA-N	293.295	1.934	10	20	CDCD	
COc1ccc(O)c(CN[C@H]2C[C@H]3CC[C@H]2NC3)c1	530246644	QXLCCIQDZYAHRT-HONMWMINSA-N	262.353	1.631	10	20	CDCD	
CO[C@@H](C)CCNC(=O)NCc1ccccc1O	263725880	BPELEDHODOWZMK-JTQLQIEISA-N	252.314	1.616	10	20	CDCD	
COc1ccc(O)c(CN2CC[C@@H](C)[S@@](=O)CC2)c1	277306812	BDFDKWJKKONMLI-WYRIXSBYSA-N	283.393	1.744	10	20	CDCD	
COc1cccc(CN2CCN(C(C)C)C(=O)C2)c1O	272580690	YBYNVACZVLXJQZ-UHFFFAOYSA-N	278.352	1.453	10	20	CDCD	
CCN1CCN(Cc2cccc(OC)c2O)CC1=O	273557958	ZZNRHTAPOOJVSH-UHFFFAOYSA-N	264.325	1.065	10	20	CDCD	
CCN(C)C(=O)CNCc1ccc(N(C)C)c(F)c1	274789133	MCLPYCYBQWIYFG-UHFFFAOYSA-N	267.348	1.460	10	20	CDCD	
CCNC(=O)[C@H](C)N[C@@H](C)c1cc(C(=O)OC)ccc1O	273377003	HKFOSTNVAMZSPD-UWVGGRQHSA-N	294.351	1.354	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1O[C@H](C)C[C@H]1C	282698981	JSRZQIJIKLYGDQ-UYUMYWFVSA-N	293.363	1.959	10	20	CDCD	
C[C@H](NCc1cccc(Cl)c1O)C(=O)NCCF	281919979	ACSMAOFCPOQNHY-QMMMGPOBSA-N	274.723	1.609	10	20	CDCD	
O=C(NCc1ccccc1O)NC[C@@H]1CCCO1	299491260	JOUPFWMDVOYLNR-NSHDSACASA-N	250.298	1.370	10	20	CDCD	
Cc1cc(C)c([C@@H](C)NC[C@H]2CN(C)CCN2C)c(O)c1	293885062	VPQHRFMSVLOQLZ-CABCVRRESA-N	291.439	1.905	10	20	CDCD	
COc1cccc(CNC(=O)[C@@](C)(O)C2CCC2)c1O	813488920	JEKRRTUMOWYFKL-HNNXBMFYSA-N	279.336	1.568	10	20	CDCD	
COc1ccc(CNC(=O)NCc2cncn2C)c(O)c1	811924605	BWBCRPOCEUSOBG-UHFFFAOYSA-N	290.323	1.134	10	20	CDCD	
Cc1cc(O)c(CNC[C@]2(O)CCN(C)C2)cc1Cl	825520228	XFALHSYNDCPWPD-CQSZACIVSA-N	284.787	1.510	10	20	CDCD	
C[C@]1(O)CCN(c2ccc(/C=C/C(=O)O)cc2[N+](=O)[O-])C1	828116123	ZTJYHXFKLVBEGY-KQIUPUNMSA-N	292.291	1.654	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1CCc2nn[nH]c2C1	827877636	RNTYFXNVUDUKMZ-UHFFFAOYSA-N	271.368	1.737	10	20	CDCD	
CN1C[C@@H]2CCCN(Cc3cc4c(cc3O)OCO4)[C@@H]2C1	822521111	WLBVTJAJZVFCFB-WCQYABFASA-N	290.363	1.647	10	20	CDCD	
C[C@H]1C[C@H](NC(=O)N(C)Cc2ccccc2O)CO1	828419574	FPRBBZPVKDDRIO-JQWIXIFHSA-N	264.325	1.711	10	20	CDCD	
O=C(NCCCOC[C@@H]1CCCO1)c1cc(O)cs1	732259633	SWBAVSOLFUNQMP-NSHDSACASA-N	285.365	1.769	10	20	CDCD	
COC[C@@H](OC)C(=O)N[C@@H](C)c1cc(OC)ccc1O	830540810	NQMLZMWPBIZIMZ-TVQRCGJNSA-N	283.324	1.239	10	20	CDCD	
CC(C)[C@H](CO)ONC(=O)NCc1ccc(N(C)C)cc1	836232451	AZPXFUHKVNQHSZ-AWEZNQCLSA-N	295.383	1.500	10	20	CDCD	
CC[C@H](C(=O)O)C(=O)NCc1ccc(N(C)C)cc1C	911409380	HSWVDDMBRUFEIX-ZDUSSCGKSA-N	278.352	1.788	10	20	CDCD	
CN1CCCc2cc(CNC(=O)N3CC[C@H](N)C3)ccc21	841758681	IZQCZPCSSJZXLI-AWEZNQCLSA-N	288.395	1.312	10	20	CDCD	
CNCCN(C)C(=O)NCc1ccc(N2CCCC2)cc1	841709883	OAMTYTFDSCVFDE-UHFFFAOYSA-N	290.411	1.648	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN(C[C@@H](C)O)C2CC2)c1O	848928767	NGLGGYUVYDZGEQ-SECBINFHSA-N	296.323	1.654	10	20	CDCD	
CC(C)n1cc(C(=O)NCc2ccc(O)cc2O)cn1	910947686	JOUSAHHICFFRFO-UHFFFAOYSA-N	275.308	1.805	10	20	CDCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NCc1cnn(C)n1	840977131	SCPQKPBQZBHFMK-CYBMUJFWSA-N	287.411	1.910	10	20	CDCD	
CCc1cccc(CN2C[C@@H](CO)O[C@H](C)C2)c1O	848906007	PLVLKWHZYHQMFR-RISCZKNCSA-N	265.353	1.536	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)[C@@H]1CCCOC1	910954545	LEPKSYIIXAIDLS-SNVBAGLBSA-N	251.282	1.141	10	20	CDCD	
COc1ccc(O)c(CN2[C@H]3CCNC[C@H]2CC3)c1	843058559	UJYMJBKBCYZAEI-CHWSQXEVSA-N	262.353	1.727	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H]1CCn2cncc2C1	857944109	IXNZWJGTMQRKDU-DTRQGZQOSA-N	299.330	1.439	10	20	CDCD	
C[C@H](NCCc1ccnn1C)c1cc([N+](=O)[O-])ccc1O	762783313	WOFGSOUHXGNMTK-JTQLQIEISA-N	290.323	1.927	10	20	CDCD	
CCc1cccc(CN[C@@H]2C(=O)NCC2(C)C)c1O	864052228	FLIWHOKLYOQGNS-CYBMUJFWSA-N	262.353	1.569	10	20	CDCD	
Cc1cc(CNC(=O)N[C@H](C)c2ccccc2O)n(C)n1	868588908	VENCBGCRBVNRIK-LLVKDONJSA-N	288.351	1.995	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)CCn2ccnn2)c1	761968195	SSYPCVFYHKGFPF-SNVBAGLBSA-N	290.323	1.260	10	20	CDCD	
COC(=O)CN1CCC(N[C@H](C)c2ccccc2O)CC1	877756449	JCAZARCHPOSYHE-GFCCVEGCSA-N	292.379	1.680	10	20	CDCD	
Cc1cccc(O)c1CN1CCN(CC(C)(C)O)[C@@H](C)C1	877460609	RMINJOUKHVYLMS-AWEZNQCLSA-N	292.423	1.978	10	20	CDCD	
CC[C@H](SC)C(=O)NCc1cccc(O)c1O	1123978242	RUIDUFMFQDXYQO-JTQLQIEISA-N	255.339	1.856	10	20	CDCD	
COCCC(=O)N[C@H](C)c1ccc(N(C)C)cc1	773012111	FWONBFYDCQDAGT-LLVKDONJSA-N	250.342	1.966	10	20	CDCD	
CCC[C@@H](NCc1cccc(OC)c1O)C(=O)OC	83495083	OPHLULRGQQOCQH-LLVKDONJSA-N	267.325	1.832	10	20	CDCD	
O=C1OCC[C@@H]1NCc1cc(Cl)cc(F)c1O	895800823	DIQLLXCLDJCZGA-VIFPVBQESA-N	259.664	1.590	10	20	CDCD	
O=S(=O)(C[C@H]1CCCO1)Nc1ccc(O)cc1F	85203941	WQRAMHYGZVWYMR-SECBINFHSA-N	275.301	1.452	10	20	CDCD	
C[C@@H]1CN(Cc2cc(F)cc(F)c2O)CC[S@@](=O)C1	894565371	FRYWDOHHSWTKSQ-AYLIAGHASA-N	289.347	1.871	10	20	CDCD	
CN(Cc1ccccc1O)Cc1cnc2n1CCOC2	891714084	REUHRBSLPUIQGY-UHFFFAOYSA-N	273.336	1.751	10	20	CDCD	
OCC1CCN(Cc2cc(F)cc(F)c2O)CC1	893920566	CLYKJDZMWGCKPL-UHFFFAOYSA-N	257.280	1.875	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NCc2ncnn2CCF)c1	799314715	PVDMCYQMMWUBFN-SNVBAGLBSA-N	294.330	1.813	10	20	CDCD	
CCc1cccc(CN[C@@H]2CS(=O)(=O)C[C@@H]2C)c1O	711677810	CGFQXHWUWKQDPG-GXFFZTMASA-N	283.393	1.477	10	20	CDCD	
CN(Cc1ccccc1O)Cc1nnc2n1CCC2	732203011	LNZDJTFMTMVNFL-UHFFFAOYSA-N	258.325	1.562	10	20	CDCD	
COc1ccc(S(=O)(=O)Nc2ccc(O)cc2C)cn1	795323793	INGKSKXCIWRFAF-UHFFFAOYSA-N	294.332	1.905	10	20	CDCD	
C[C@H](O)C[C@@H](C)NC(=O)NCc1ccc(N)cc1	1337017651	ASRHWPSBTYQEJE-ZJUUUORDSA-N	251.330	1.227	10	20	CDCD	
COC(=O)NC1CN(Cc2ccc(N(C)C)cc2)C1	1330867967	RHLKVWQQLYNBFL-UHFFFAOYSA-N	263.341	1.293	10	20	CDCD	
CCN(C[C@H]1CCOC1)C(=O)NCc1ccc(N)cc1	1346738258	FNELINOWZQDXOW-CYBMUJFWSA-N	277.368	1.837	10	20	CDCD	
C[C@@H]1CN(C(=O)NCc2ccc(N)cc2)CCCO1	1262603552	MJXTZCKKWUMCTQ-LLVKDONJSA-N	263.341	1.589	10	20	CDCD	
CC(C)c1nn(C)cc1C(=O)NCc1cccc(O)c1O	1347530841	JQVUMXJEKREFLY-UHFFFAOYSA-N	289.335	1.885	10	20	CDCD	
CCN1C[C@@H](C)N(C(=O)NCc2ccc(N)cc2)C[C@@H]1C	1353539893	PUYQRBZXEZEPJO-QWHCGFSZSA-N	290.411	1.893	10	20	CDCD	
CC(C)[C@@H](C(=O)O)C(=O)NCc1cc(O)ccc1O	1602970050	JFHZDVVKTPRJPN-LLVKDONJSA-N	267.281	1.071	10	20	CDCD	
Nc1ccc(NC(=O)N2CCC[C@H]2CC(=O)O)cc1	1608273615	UHIHOPGTEKIFQE-NSHDSACASA-N	263.297	1.740	10	20	CDCD	
C[C@H](NC(=O)NCc1ccc(N)cc1)C(=O)NC(C)(C)C	1576213079	OOVMVKRYBNOVJR-JTQLQIEISA-N	292.383	1.371	10	20	CDCD	
COc1cc(C)cc(CNC[C@@H]2CNC[C@H]2C)c1O	1579144593	GYLPHCFBKQEQFV-YPMHNXCESA-N	264.369	1.654	10	20	CDCD	
CC(=O)c1cc(F)cc(CN[C@H](C(=O)O)C2CC2)c1O	1589271103	NDIZDSTXLKZIIL-LBPRGKRZSA-N	281.283	1.687	10	20	CDCD	
COc1cc(N2CC[C@H]([C@@H](C)O)C2)c([N+](=O)[O-])cc1OC	168307444	RIQDAECWTSVLLQ-ZJUUUORDSA-N	296.323	1.819	10	20	CDCD	
CN(CCOC(=O)N(C)C)Cc1ccccc1O	159134484	WCVSTUCTMBZNLJ-UHFFFAOYSA-N	252.314	1.522	10	20	CDCD	
CN1CCC[C@@H](CCNC(=O)c2cccc(O)c2O)C1	838149079	VZBDGKVXTHQZNJ-NSHDSACASA-N	278.352	1.560	10	20	CDCD	
Cc1n[nH]c(C)c1S(=O)(=O)NCCc1ccc(N)cc1	32157848	WOPVERUFNNDDEU-UHFFFAOYSA-N	294.380	1.130	10	20	CDCD	
COc1cccc(CN[C@@H](C)CN2CCCC2=O)c1O	37782226	YPJGHBCVZINZFX-NSHDSACASA-N	278.352	1.501	10	20	CDCD	
C[C@H](CN1CCOCC1)N[C@@H]1CCc2cccc(O)c21	295874857	HFVONIMKGIZYBP-TZMCWYRMSA-N	276.380	1.690	10	20	CDCD	
O=C(NC[C@H]1CCC[C@H](O)C1)c1cccc(O)c1O	187124214	YANBWGITWTXVMJ-UWVGGRQHSA-N	265.309	1.379	10	20	CDCD	
CC[C@@H]1CN(C)CCCN1C(=O)c1cccc(O)c1O	300548683	NRBNEPDHRJZTKV-LLVKDONJSA-N	278.352	1.654	10	20	CDCD	
C[C@@H]1[C@@H](NC(=O)c2cccc(O)c2O)C[C@H]2CC[C@H]1N2	709285007	KUFTWGRRZNPYSN-SPFNVWMYSA-N	276.336	1.357	10	20	CDCD	
CCN1C[C@H](NCc2c(O)cccc2Cl)CC1=O	391520033	CDJPURKIGMJHMZ-SECBINFHSA-N	268.744	1.756	10	20	CDCD	
CCN(CC)S(=O)(=O)Nc1ccc(O)c([N+](=O)[O-])c1	274832776	URPUPCVRHMMVGI-UHFFFAOYSA-N	289.313	1.299	10	20	CDCD	
Nc1ccc(CC(=O)N2CCN(C3CCCC3)CC2)cc1	52060280	IQIOMEAXTYJYCL-UHFFFAOYSA-N	287.407	1.898	10	20	CDCD	
C[C@@H](N[C@H]1CCCS(=O)(=O)C1)c1ccccc1O	69140989	FWHNMOMBLCMEFC-MNOVXSKESA-N	269.366	1.620	10	20	CDCD	
C[C@H](O)[C@H]1CCN(Cc2ccc(N3CCOCC3)cc2)C1	305842874	HNFRVFZPMQZTOP-HOCLYGCPSA-N	290.407	1.726	10	20	CDCD	
CCc1cc(O)ccc1NS(=O)(=O)c1cnn(C)c1	189433048	WFFSKSSTTSNGQU-UHFFFAOYSA-N	281.337	1.489	10	20	CDCD	
CCOc1ccc(O)c(CN2CCC[C@H]2C(=O)OC)c1	124816883	RFMUTZFFAAPGJN-ZDUSSCGKSA-N	279.336	1.928	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NCC(C)(C)CCO)cc1	75543740	ZDQFYJFKJKOSRW-UHFFFAOYSA-N	293.411	1.960	10	20	CDCD	
O=C(CSc1nccs1)NC(=O)NC1CC1	48874630	MYOSNONGKRRFLE-UHFFFAOYSA-N	257.340	1.223	10	20	CDCD	
Nc1ccc(CCNC(=O)[C@@H]2CSCCS2)cc1	238128783	QNLLOMOEVWWMAW-LBPRGKRZSA-N	282.434	1.776	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@@H](C)CCCO)c1	273611078	VWVBSVRHXDHXHO-QWRGUYRKSA-N	281.352	1.990	10	20	CDCD	
Cc1ccc(C(=O)N2CC[C@H]([C@H]3CCOC3)C2)c(O)c1O	368084685	HMFNBTGAPHZEDT-RYUDHWBXSA-N	291.347	1.905	10	20	CDCD	
CCCOc1ccc(CN2CC[C@@H](NC(N)=O)C2)c(O)c1	271395372	USGXIQQEMQVBPJ-GFCCVEGCSA-N	293.367	1.424	10	20	CDCD	
Oc1cc2c(cc1CN1CCC[C@H]1c1ncon1)OCO2	360156388	CTJWWQSVXCKUMW-JTQLQIEISA-N	289.291	1.841	10	20	CDCD	
O=[N+]([O-])c1ccc(O)c(CN[C@@H]2CCc3c[nH]nc3C2)c1	374541580	OYDQYBVUCFHGFU-LLVKDONJSA-N	288.307	1.671	10	20	CDCD	
COCC[C@H](CO)N[C@H](C)c1cc([N+](=O)[O-])ccc1O	281797528	YECDCEUIRSOAJK-NXEZZACHSA-N	284.312	1.348	10	20	CDCD	
Cc1ccc(O)c(CN2CC(n3cc([C@H](C)O)nn3)C2)c1	374816284	FFPXJVDLOHUFSU-NSHDSACASA-N	288.351	1.402	10	20	CDCD	
COC(=O)C[C@@H]1COCCN1Cc1c(O)cccc1Cl	377835525	USDCMMOJSTWGNU-SNVBAGLBSA-N	299.754	1.810	10	20	CDCD	
CNC(=O)[C@H](C)CN(C)Cc1ccc(N(C)C)c(C)c1	292663555	ANGFTAYOBXFWIY-CYBMUJFWSA-N	277.412	1.875	10	20	CDCD	
O=CN1CCCN(Cc2c(O)ccc(Cl)c2F)CC1	827867028	AFEDAINVOIUPEF-UHFFFAOYSA-N	286.734	1.849	10	20	CDCD	
O=C1O[C@H]2C[C@H]1N(Cc1c(O)ccc(Cl)c1F)C2	824631100	WIZQNEFHXSONEP-IMTBSYHQSA-N	271.675	1.684	10	20	CDCD	
COC(OC)C(=O)N1CCOc2cc(N(C)C)ccc21	820417604	CMOLEMCARJNETL-UHFFFAOYSA-N	280.324	1.097	10	20	CDCD	
C[C@H](CO)N(C)Cc1ccc(Br)cc1O	825922294	OHRVZANPFPSKPQ-MRVPVSSYSA-N	274.158	1.967	10	20	CDCD	
COc1ccc(CNCCN2C[C@@H]3CC[C@H](C2)O3)cc1C	830610038	TYWCFOAAVCJSGO-IYBDPMFKSA-N	290.407	1.956	10	20	CDCD	
COc1cccc([C@@H](C)NC[C@@H]2CCN2C)c1O	903316046	MFMMSGLJHRTKIM-MNOVXSKESA-N	250.342	1.756	10	20	CDCD	
O=C(NC[C@H](O)c1ccccc1)c1cc(O)cs1	731866102	QPGWGGFDQGLPEI-NSHDSACASA-N	263.318	1.917	10	20	CDCD	
CC(C)OCCONC(=O)c1c(F)ccc(O)c1O	832337328	SUUBTHOMWMRJQU-UHFFFAOYSA-N	273.260	1.323	10	20	CDCD	
CCc1noc(C(=O)NCc2ccc(OC)cc2O)n1	902675458	YSTQBRIADJGEIJ-UHFFFAOYSA-N	277.280	1.276	10	20	CDCD	
O=C(O)[C@H]1C[C@@H]1C(=O)NCc1ccc(N2CCCC2)cc1	739547645	NBTNOBKCTUVLAI-KBPBESRZSA-N	288.347	1.624	10	20	CDCD	
CN(C)CC1(NC(=O)c2cc(O)cs2)CCC1	839754879	XPIZQLCBAXNDFB-UHFFFAOYSA-N	254.355	1.668	10	20	CDCD	
Cc1cc(Cl)cc([C@H](C)N[C@@H]2COC[C@H]2O)c1O	834897949	XQWMCYULRDQGQX-XXILOJSOSA-N	271.744	1.764	10	20	CDCD	
C[C@H](Cc1cnn(C)c1)C(=O)NCc1ccc(O)cc1O	910945766	YCNGLHNCLOWVIK-SNVBAGLBSA-N	289.335	1.326	10	20	CDCD	
COCCNC(=O)C1(NCc2ccc(OC)c(C)c2)CC1	839193990	ZTZDXROZJJERDK-UHFFFAOYSA-N	292.379	1.388	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1CCCN1	841937472	SSHDMWVZDJJEPK-CQSZACIVSA-N	290.411	1.646	10	20	CDCD	
CNCCNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1	841882678	MNWVZZKPRKSHTM-NSHDSACASA-N	264.373	1.332	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)NCc2ccon2)c1	747515303	WQIPQCHHCUWDED-VIFPVBQESA-N	291.307	1.949	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC[C@H]1CNCCO1	841100860	MJBPGHMJRZLFQW-OAHLLOKOSA-N	263.385	1.139	10	20	CDCD	
CC(C)c1cc(C(=O)NCc2ccc(O)cc2O)n(C)n1	910951560	UANBTAQXSVMOMP-UHFFFAOYSA-N	289.335	1.885	10	20	CDCD	
Cc1cc(CN2CC[C@@H](C(=O)O)C2)ccc1N(C)C	846227263	LTBPGBUFCPQHDE-CYBMUJFWSA-N	262.353	1.968	10	20	CDCD	
CC(=O)N[C@@](C)(C(=O)Nc1ccc(N)cc1)C(C)C	911661846	XXWXUPXYJYRROA-CQSZACIVSA-N	263.341	1.758	10	20	CDCD	
CCO/C=C\C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	847696196	MPEGTVLXNVDMLH-JYESYGNLSA-N	265.309	1.695	10	20	CDCD	
C[C@@H]1C[C@H](CNC[C@@H](N)c2ccc(N(C)C)cc2)CCN1	841044499	ZBWXJURWOONIOP-CKEIUWERSA-N	290.455	1.730	10	20	CDCD	
CC(C)[C@H](C(=O)O)C(=O)N(C)Cc1ccccc1O	844246876	YJCJPLSDLHSLMZ-LBPRGKRZSA-N	265.309	1.707	10	20	CDCD	
CN(C)c1ccc(CN(C[C@@H]2CCC(=O)N2)C2CC2)cc1	844278019	NIEBGIGOYPCUKG-AWEZNQCLSA-N	287.407	1.996	10	20	CDCD	
O=C(NC/C=C/CO)NCc1ccc(N2CCCC2)cc1	853411091	CPDSPHPPIOYXFU-DAFODLJHSA-N	289.379	1.635	10	20	CDCD	
NCCN(CC(F)(F)F)C(=O)Cc1ccc(N)cc1	1333654072	KSSDEAIZQBZKPP-UHFFFAOYSA-N	275.274	1.161	10	20	CDCD	
Cc1ccnc(COC(=O)c2cccc(O)c2O)n1	758560734	KHIKKAYXOVHHRG-UHFFFAOYSA-N	260.249	1.553	10	20	CDCD	
CCN(CC1(CO)COC1)c1ccc(OC)cc1	756809745	XEKVDLZLHCLCPE-UHFFFAOYSA-N	251.326	1.530	10	20	CDCD	
CN(CCn1cccn1)Cc1cc2c(cc1O)OC[C@@H]2O	768446345	JRINDTKPCXCNLX-AWEZNQCLSA-N	289.335	1.147	10	20	CDCD	
CCO[C@@H](C(=O)NCc1ccc(O)c(O)c1)C1CC1	860243454	NSHPJPWJHYQTEF-CYBMUJFWSA-N	265.309	1.529	10	20	CDCD	
COCC[C@H](NCc1c(O)ccc(Cl)c1F)C(=O)O	1119064809	BOALTMABSHCGCD-VIFPVBQESA-N	291.706	1.764	10	20	CDCD	
Cc1nocc1C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1	876507029	UATODDYBDPHWNY-CQSZACIVSA-N	288.351	1.479	10	20	CDCD	
O=C(OCc1nnsc1Cl)c1cccc(O)c1O	776281822	LDYMCJIVWAJMMP-UHFFFAOYSA-N	286.696	1.960	10	20	CDCD	
CC[C@@H](O)CCNC(=O)NCc1ccc(N)cc1	1120592519	ZRPQTXOCRSNQOG-GFCCVEGCSA-N	251.330	1.229	10	20	CDCD	
CCN(C)c1ccc(CN2CCO[C@@H](C(=O)NC)C2)cc1	773835214	WMTIMLIDVSCMTB-OAHLLOKOSA-N	291.395	1.090	10	20	CDCD	
Cc1cc(Cn2cc(COCCN)nn2)ccc1N(C)C	881377205	IJRQLQCSRRHEPT-UHFFFAOYSA-N	289.383	1.176	10	20	CDCD	
CN(C)c1cc(F)c(CNCCN2CCNC2=O)cc1F	886323000	ANTLHBHRKLOZBO-UHFFFAOYSA-N	298.337	1.146	10	20	CDCD	
C[C@H](OC(=O)c1cccc(O)c1O)C(=O)N1CCCCC1	784788178	QNBKAQLGTBAEAZ-JTQLQIEISA-N	293.319	1.656	10	20	CDCD	
CNC(=O)N1CCN(Cc2cc(C)ccc2O)CC1	271200119	WGUSYQFPUCUSRQ-UHFFFAOYSA-N	263.341	1.158	10	20	CDCD	
CCc1cc(O)ccc1NS(=O)(=O)c1ccn(C)n1	790416441	ZMJKCIAJTOLCJN-UHFFFAOYSA-N	281.337	1.489	10	20	CDCD	
CC(C)(C)N1CC[C@H]1C(=O)NCCc1ccc(O)c(O)c1	897067072	FLFDIBINJKTFJR-LBPRGKRZSA-N	292.379	1.629	10	20	CDCD	
CN1C(=O)C(=Cc2ccsc2Cl)C(=O)N(C)C1=O	790097389	TWCYYUVPWVSMPM-UHFFFAOYSA-N	284.724	1.835	10	20	CDCD	
COc1ccc(CNC(=O)NC[C@]2(C)CCCO2)c(O)c1	792992725	MRKVGSGXFXNXRV-HNNXBMFYSA-N	294.351	1.769	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1C[C@H](N)C1	693651588	XBBJKYBIHAPMKO-HDJSIYSDSA-N	275.396	1.838	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)C(=O)NCc1cccnc1	1321284721	DROJLQCTVBCIRM-UHFFFAOYSA-N	299.330	1.062	10	20	CDCD	
CCCNC(=O)[C@@H](C)NC(=O)/C=C/c1ccc(O)c(O)c1	1336705866	LLCXFCYBYRDYTJ-BREXMAIKSA-N	292.335	1.142	10	20	CDCD	
COCc1nocc1C(=O)NCCc1ccc(N)cc1	1330574095	ORQJGNFFFARAON-UHFFFAOYSA-N	275.308	1.376	10	20	CDCD	
C[C@@H](O)CN(C)Cc1ccc(N2CCN(C)CC2)c(F)c1	1255242436	HNNBXGWKYUGCQU-CYBMUJFWSA-N	295.402	1.390	10	20	CDCD	
CC(C)(CCN)NC(=O)NCc1ccc(N)cc1	1335738023	UUUBWLPSSNTBSY-UHFFFAOYSA-N	250.346	1.195	10	20	CDCD	
C[C@@H](C(=O)NCc1ccc(N(C)C)cc1)[C@@H]1CCC(=O)N1	1334909967	WNUZEXYMMFSSCP-RISCZKNCSA-N	289.379	1.284	10	20	CDCD	
CC(=O)NC1CCC(C(=O)N(C)c2ccc(N)cc2)CC1	1341476716	GHAGHCPCCLCRHJ-UHFFFAOYSA-N	289.379	1.927	10	20	CDCD	
O=C(NCc1cccc(O)c1O)[C@H]1CCc2cccnc21	1352657609	IMAAWUHTQQHUOH-LBPRGKRZSA-N	284.315	1.839	10	20	CDCD	
C[C@@H](NC(=O)CC(=O)O)c1ccc(N(C)C)cc1	1604269873	UXJJWPLEUXLRNV-SECBINFHSA-N	250.298	1.405	10	20	CDCD	
CC(C)(NC(=O)c1cc(O)cs1)c1nocc1C(=O)O	1603676720	DHHQCCLYJTTXLV-UHFFFAOYSA-N	296.304	1.805	10	20	CDCD	
O=C1NC(=S)S/C1=C\c1cc(C(=O)O)co1	1609044364	USJQNRMOXANIBE-KXFIGUGUSA-N	255.276	1.467	10	20	CDCD	
COCC1CN(c2ccc(/C=C\C(=O)O)cc2[N+](=O)[O-])C1	1606848562	SFCKVGRVESALLD-HYXAFXHYSA-N	292.291	1.775	10	20	CDCD	
Cc1cccc(CN[C@]2(CC(=O)O)CCCOC2)c1O	1610522354	YHEGDWYWFJAUAE-HNNXBMFYSA-N	279.336	1.814	10	20	CDCD	
COc1cc(Cl)cc(CNCC(=O)NC2CC2)c1O	229050308	KBBRPUJWGJPSRS-UHFFFAOYSA-N	284.743	1.422	10	20	CDCD	
CNCCC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C	1573901884	IUYNLWXZXFJEGF-CYBMUJFWSA-N	277.412	1.718	10	20	CDCD	
C[C@H](N[C@H](C)c1cn[nH]c1)c1cccc(-c2nn[nH]n2)c1O	1589954545	YXUALNDUNCWWQZ-BDAKNGLRSA-N	299.338	1.707	10	20	CDCD	
Nc1ccc(CCNC(=O)CCc2cn[nH]c2)cc1	911783818	ZGEMLAVMUYVYRG-UHFFFAOYSA-N	258.325	1.283	10	20	CDCD	
C[C@@H]1C[C@H](N(C)C(=O)Cc2ccc(N)cc2)CCN1C	237585548	LKHKLZSRCSCJRB-IUODEOHRSA-N	275.396	1.752	10	20	CDCD	
COc1cccc(CNCc2cn(C)nc2C)c1O	20352697	IUXVJNXLSSHXCU-UHFFFAOYSA-N	261.325	1.733	10	20	CDCD	
CCOc1cccc(CN[C@@H](C)C(=O)N(C)C)c1O	36794271	MSQMLFWOLGPNAJ-JTQLQIEISA-N	266.341	1.357	10	20	CDCD	
CCOc1cccc(CNCC(=O)NC2CC2)c1O	36782405	XPNKPPJTSYPPRI-UHFFFAOYSA-N	264.325	1.159	10	20	CDCD	
Cc1ccc(O)c([C@@H](C)NCc2nnc(C)n2C)c1	393196305	AHWMDTKWUZPMHL-SNVBAGLBSA-N	260.341	1.988	10	20	CDCD	
COc1cccc(O)c1CN1CC[C@@H](C(=O)O)C1	820871340	ZCAMCIPOAJXUNH-SECBINFHSA-N	251.282	1.307	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@H](C)NC(C)=O)c1	104124968	WINPVQUBUZPHOF-BDAKNGLRSA-N	280.324	1.103	10	20	CDCD	
CN(CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1O	176237074	YBJCBJQCZWPNAC-UHFFFAOYSA-N	276.296	1.629	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2c[nH]nn2)c1	170900672	ZTFLIYLLEHRMSF-SSDOTTSWSA-N	262.269	1.010	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)NC2CC2)c1	103503258	KFEXAORCOUFFFE-MRVPVSSYSA-N	250.298	1.923	10	20	CDCD	
CC(C)[C@@H](CO)NC(=O)NCc1ccc(N(C)C)cc1	176372604	LDDPYKZITQXPBJ-CQSZACIVSA-N	279.384	1.569	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@H](O)C1	304208627	CPJJGONJIYJIRB-HNNXBMFYSA-N	291.395	1.727	10	20	CDCD	
O=C(NCc1ccc(N2CCOCC2)cc1)[C@@H]1CCOC1	66921892	MQVFYLJQDYEAKU-CQSZACIVSA-N	290.363	1.176	10	20	CDCD	
OCCNCc1cc(Cl)cc(Br)c1O	32049972	DMTABTHMCJXLPO-UHFFFAOYSA-N	280.549	1.890	10	20	CDCD	
COc1ccc(O)c(CN(C)CCCN(C)C)c1	211503620	WUPYPXAJCYPGLA-UHFFFAOYSA-N	252.358	1.784	10	20	CDCD	
CC(C)(CCO)NC(=O)/C=C/c1ccc(O)c(O)c1	181272967	PYKKZEXHTXZGND-GQCTYLIASA-N	265.309	1.388	10	20	CDCD	
CCCNC(=O)CN[C@@H](C)c1ccc(C)cc1O	36780768	LWQFQCVIOACYJV-NSHDSACASA-N	250.342	1.877	10	20	CDCD	
C[C@]1(C(=O)O)CCN(C(=O)c2cccc(O)c2O)C1	126023988	VHISFMDZOYHFDL-ZDUSSCGKSA-N	265.265	1.035	10	20	CDCD	
Cc1cccc(CNCC2([S@](C)=O)CC2)c1O	281854408	UVLKTZFVMMHALF-KRWDZBQOSA-N	253.367	1.701	10	20	CDCD	
COc1ccc(O)c(CN[C@H](C)C(=O)NC(C)C)c1	228936265	AKXOMYJLNRHRDV-SNVBAGLBSA-N	266.341	1.404	10	20	CDCD	
COc1ccc(N2CCN(C(=O)C3CC3)CC2)cc1F	84815376	PWDZSCAMGUJPAV-UHFFFAOYSA-N	278.327	1.893	10	20	CDCD	
CO[C@H](C)CS(=O)(=O)NCc1ccc(N(C)C)cc1	192886170	QPRZHUALZRNDSM-LLVKDONJSA-N	286.397	1.207	10	20	CDCD	
COCc1ccc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc1	132409825	OHAGEQRAKQDSKG-UHFFFAOYSA-N	288.303	1.267	10	20	CDCD	
Cc1cccc(CN[C@H](C)C(=O)NC(C)C)c1O	228930485	KRPPZWDGRYQSGC-LLVKDONJSA-N	250.342	1.703	10	20	CDCD	
O=C(CC1(O)CCCC1)NCc1ccc(O)c(O)c1	130007029	HLQWHNHMMQZIPB-UHFFFAOYSA-N	265.309	1.409	10	20	CDCD	
CCOc1cccc(CN2CCCN(CC)C(=O)C2)c1O	191540327	RYXRBODUFAPHML-UHFFFAOYSA-N	292.379	1.845	10	20	CDCD	
COCCOCCNCc1cccc(OC)c1O	44693547	HQWSRKJFIBYFJD-UHFFFAOYSA-N	255.314	1.153	10	20	CDCD	
Nc1ccc(CCNC(=O)CC2CCNCC2)cc1	238120718	QUZNLNGNKDNKGY-UHFFFAOYSA-N	261.369	1.317	10	20	CDCD	
CC(C)[C@@H](CO)NCc1cc2c(cc1O)OCO2	92394343	GUSLMNBCNHDRGZ-SNVBAGLBSA-N	253.298	1.227	10	20	CDCD	
c1cc2c(cc1CN[C@H]1CCc3c[nH]nc3C1)CCO2	363937793	LSGMVZRFCKKWPQ-AWEZNQCLSA-N	269.348	1.992	10	20	CDCD	
COC(=O)[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C1CC1	272669923	QCXMTHDQPXFHQT-RRFAQUSLSA-N	291.303	1.179	10	20	CDCD	
Cc1ccc(O)c(CN2C[C@@H](N3CCOCC3)C[C@H]2C)c1	289803346	SMZBJAYMUGCREN-ZBFHGGJFSA-N	290.407	1.996	10	20	CDCD	
CNC(=O)[C@H](C)N[C@H](C)c1cc([N+](=O)[O-])ccc1O	291925303	ODXYRILQXOOSQW-SFYZADRCSA-N	267.285	1.086	10	20	CDCD	
CCN(CCOCCO)Cc1cc(Cl)ccc1O	800532137	QXHYJCBRJMDSFY-UHFFFAOYSA-N	273.760	1.876	10	20	CDCD	
CN(CC(C)(C)CO)C(=O)NCc1ccc(N(C)C)cc1	296171794	FYUVGOYHKRGBCL-UHFFFAOYSA-N	293.411	1.913	10	20	CDCD	
CN(CCN(C)C1CC1)Cc1cc2c(cc1O)OCO2	290492731	OQOSORKMTTVYMH-UHFFFAOYSA-N	278.352	1.647	10	20	CDCD	
C[C@H](CNCc1cc([N+](=O)[O-])ccc1O)CN(C)C	291674820	GYDRQXRMRLHCNP-SNVBAGLBSA-N	267.329	1.588	10	20	CDCD	
COCC1(C(=O)NCc2ccccc2O)CCOCC1	290404616	MDKSRRCCNJBPAZ-UHFFFAOYSA-N	279.336	1.452	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)NC[C@@H](C)N)c1	817971488	DOTVBHHCMJAQMB-BDAKNGLRSA-N	252.314	1.177	10	20	CDCD	
COc1ccc(O)c([C@H](C)NCCCN2CCNCC2)c1	817934706	BHAKPKBKONTZJM-ZDUSSCGKSA-N	293.411	1.347	10	20	CDCD	
CC[C@H](NCc1cc(C)c(C)cc1O)C(=O)NC	825316195	LTSJZLWORQAKQV-LBPRGKRZSA-N	250.342	1.623	10	20	CDCD	
C[C@@H](NC(=O)Cc1cncn1C)c1ccccc1O	827940698	IBRCBLHVMHBWDO-SNVBAGLBSA-N	259.309	1.546	10	20	CDCD	
CCc1nc(CNC(=O)c2ccc(C)c(O)c2O)co1	836980427	VVJCGHLNTDRIMI-UHFFFAOYSA-N	276.292	1.887	10	20	CDCD	
COc1ccc(O)c(CN[C@H]2C[C@@H]3CCCCN3C2=O)c1	835075362	WYPBBWJKZIGYIW-JSGCOSHPSA-N	290.363	1.644	10	20	CDCD	
C[C@@H]1C[C@H](NC(=O)c2cccc(O)c2O)c2nccn21	836960088	OZORRPHMXPCUBN-SCZZXKLOSA-N	273.292	1.730	10	20	CDCD	
COC(=O)[C@@H]1C[C@@H](OC)CCN1C(=O)c1cc(O)cs1	831794810	SPFWBSMAVUDSJV-UWVGGRQHSA-N	299.348	1.246	10	20	CDCD	
C[C@@H]1C[C@H](CNC(=O)NCCc2ccc(N)cc2)CCO1	841870051	VNGNSLUDCPUQMJ-TZMCWYRMSA-N	291.395	1.926	10	20	CDCD	
CN(C)c1ncc(CNCCc2ccc(N)cc2)cn1	841037046	XZVXAZNWKIFDJQ-UHFFFAOYSA-N	271.368	1.457	10	20	CDCD	
COC[C@@](C)(O)CNCc1cc(C)c(C)cc1O	742370719	KNYBFVYHXRQUCD-AWEZNQCLSA-N	253.342	1.496	10	20	CDCD	
CCOc1cccc(CNC[C@@H](N)C2CC2)c1O	841050665	RVCBKKNBYKIKIY-GFCCVEGCSA-N	250.342	1.618	10	20	CDCD	
COc1ccc(C(=O)NCc2cc(Cl)ccc2O)nn1	857547674	PHLHPRPANKSHNX-UHFFFAOYSA-N	293.710	1.774	10	20	CDCD	
C[C@@H]1CC(=O)NCCN1Cc1cc(F)c(N(C)C)cc1F	862369753	XEFHCGYNJZYTHU-SNVBAGLBSA-N	297.349	1.741	10	20	CDCD	
CNC(=O)NCc1cccc(Br)c1O	765452773	XVAWSAYREJFEBF-UHFFFAOYSA-N	259.103	1.584	10	20	CDCD	
CCOc1ccc([C@H]2NC(=O)[C@@H]3CSCCN23)c(O)c1	765518342	BEUZOGYQXZYULM-AAEUAGOBSA-N	294.376	1.337	10	20	CDCD	
Cn1cccc1CNC(=O)/C=C\c1ccc(O)c(O)c1	779525294	JQFUOQUYERZYHO-ALCCZGGFSA-N	272.304	1.766	10	20	CDCD	
C[C@@H](NC(=O)[C@@H]1C[C@H]2CC[C@H]1NC2)c1ccccc1O	870987707	AXZFKPVAZMSDDT-HBJVGIJOSA-N	274.364	1.958	10	20	CDCD	
CC(C)Nc1ccccc1NCC(=O)N1CCNC1=O	871847113	KUIQRDJYIYGDCG-UHFFFAOYSA-N	276.340	1.471	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NCc2conc2C)c1	875952295	PAVXKAHXBXNVBD-UHFFFAOYSA-N	275.308	1.996	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNCCCCCCO)c1O	775053338	VPJULVXNZWWEGI-UHFFFAOYSA-N	298.339	1.951	10	20	CDCD	
C[C@@H](NC(=O)N(CCO)C1CC1)c1ccc(N(C)C)cc1	776243513	CTYXANCIFJBOTA-GFCCVEGCSA-N	291.395	1.980	10	20	CDCD	
CCC[C@H](CCO)NC(=O)c1c(F)ccc(O)c1O	880982617	DNASZOHPRCMLAE-MRVPVSSYSA-N	271.288	1.518	10	20	CDCD	
COc1ccc(CN2CC[C@@H](F)C2)c(O)c1OC	894670259	FIEGQHUSUBZNQD-SNVBAGLBSA-N	255.289	1.953	10	20	CDCD	
Cc1cc(O)c(CNCc2nc(N(C)C)no2)cc1C	789553452	AWNXSEDUHCZCKO-UHFFFAOYSA-N	276.340	1.748	10	20	CDCD	
COc1cc(O)c(CN2CCO[C@H](OC)C2)cc1OC	895968720	RKHWQKWAKAOORT-AWEZNQCLSA-N	283.324	1.214	10	20	CDCD	
OC[C@]12C[C@@H]1CN(Cc1cc(Cl)cc(F)c1O)C2	783733700	ITSIHYQXHTVEII-NOZJJQNGSA-N	271.719	1.999	10	20	CDCD	
C[C@H](NC[C@]1(O)CCO[C@H]1C)c1ccc(N(C)C)cc1	278669413	FTWBTJMUUANBBN-HEHGZKQESA-N	278.396	1.943	10	20	CDCD	
CCCCS(=O)(=O)NCc1ccc(OC)cc1O	795359025	ZNMRFONUOXDXRN-UHFFFAOYSA-N	273.354	1.620	10	20	CDCD	
Nc1nc(Sc2nccs2)ncc1[N+](=O)[O-]	76268845	QIRKGJXZNKDJJT-UHFFFAOYSA-N	255.284	1.575	10	20	CDCD	
COC[C@@H]1CCN(Cc2cc3c(cc2O)OCO3)C1	96832849	RYXPQZRSGWDTEX-SNVBAGLBSA-N	265.309	1.589	10	20	CDCD	
O=C(O)[C@@H](NCc1cc(F)cc(F)c1O)[C@H]1CCOC1	1334053698	CWBLEPXDIKVEPD-CPCISQLKSA-N	287.262	1.250	10	20	CDCD	
Nc1ccc(CC(=O)N2CC[C@@H]3[C@@H](C2)C3(F)F)cc1	1580443074	OQMIDGKUSKJBTR-VXGBXAGGSA-N	266.291	1.925	10	20	CDCD	
C[C@@H](c1nc(Cc2ccc(N)cc2)no1)S(C)(=O)=O	1332359902	PPTGYXUMWOCUDC-QMMMGPOBSA-N	281.337	1.348	10	20	CDCD	
CN(C)c1ccc(CN2CCC(OCC(N)=O)CC2)cc1	1337041996	FUBRKAGQBLSUSA-UHFFFAOYSA-N	291.395	1.219	10	20	CDCD	
C[C@]1(C(=O)O)CCCN(Cc2cc3c(cc2O)OCO3)C1	1604496074	DONRPYBHFZDIKG-HNNXBMFYSA-N	293.319	1.808	10	20	CDCD	
Cc1cc(O)c(CN2C[C@H](O)C[C@H]2C(=O)O)cc1Cl	1607699216	IEBOEZGJZHVLGZ-KOLCDFICSA-N	285.727	1.374	10	20	CDCD	
CCN(C)c1ccc(CN[C@]2(C(=O)O)CCOC2)cc1	1589715198	OSXQIELUZUHZDZ-OAHLLOKOSA-N	278.352	1.476	10	20	CDCD	
COCCC[C@H](NCc1cc([N+](=O)[O-])ccc1O)C(=O)O	1777203690	XBUCSAFTSBDVLJ-NSHDSACASA-N	298.295	1.270	10	20	CDCD	
CC1CCN(c2ccc(CNC(=O)CCN)cc2)CC1	167863629	OIXKZKZWTDEFSX-UHFFFAOYSA-N	275.396	1.888	10	20	CDCD	
COC[C@](C)(NCc1ccc2c(c1)CCCO2)C(=O)O	900035254	FWHDUYFZXWTXSN-HNNXBMFYSA-N	279.336	1.591	10	20	CDCD	
C[C@H](NC[C@H]1CN(C)CCN1C)c1ccccc1O	68800506	MLCJIKCUKIHMPS-STQMWFEESA-N	263.385	1.289	10	20	CDCD	
O=C(O)c1cc(NS(=O)(=O)c2ccsc2)ccc1O	714326063	WWCFUGQNVIBZOR-UHFFFAOYSA-N	299.329	1.953	10	20	CDCD	
CCN(CCOC)Cc1cc2c(cc1O)OCO2	109745936	DKYOIBMEZNJMLA-UHFFFAOYSA-N	253.298	1.589	10	20	CDCD	
COc1cccc(CNc2cc(C)nc(CO)n2)c1O	1341759274	VWJCQRSONYMZJL-UHFFFAOYSA-N	275.308	1.604	10	20	CDCD	
COC[C@@H](CCO)NCc1ccc(N2CCOCC2)cc1	219117876	WNMBHOMNUIBYCL-OAHLLOKOSA-N	294.395	1.010	10	20	CDCD	
COCCCN(CCO)Cc1cc(OC)ccc1O	188925768	ALNHONCHFULQMU-UHFFFAOYSA-N	269.341	1.232	10	20	CDCD	
Cc1nnc(NC(=O)/C=C/c2ccc(O)c(O)c2)s1	180688424	DEUFHZSVDUCETA-HWKANZROSA-N	277.305	1.910	10	20	CDCD	
COc1ccc(O)c(CN(C)CCn2cccn2)c1	180222315	VZXIVQGJPPMRKZ-UHFFFAOYSA-N	261.325	1.729	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CCN(C(C)=O)CC2)c1O	37322449	XZTSXMPOSZYYHX-UHFFFAOYSA-N	294.326	1.398	10	20	CDCD	
CCNC(=O)NC(=O)CN(C)c1ccc(OC(C)C)cc1	191588651	YRSMPXJHTHAFBE-UHFFFAOYSA-N	293.367	1.756	10	20	CDCD	
CNC[C@H](C)C(=O)NCc1ccc2c(c1)CCCN2C	237335622	RYIPWAGJJDWKTD-LBPRGKRZSA-N	275.396	1.541	10	20	CDCD	
Cc1ccc(O)c(CN2CCC[C@@H](N3CCNC3=O)C2)c1	92189095	SUOQLLVDLHHTLL-CQSZACIVSA-N	289.379	1.690	10	20	CDCD	
CCOc1cccc(CN(C)CC[C@@H](C)O)c1O	93481403	PNZKMXHWELDLAA-LLVKDONJSA-N	253.342	1.994	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H](C)c2nncn2C)c(O)c1O	271286459	PEMDBLIIKOWTNV-QMMMGPOBSA-N	276.296	1.026	10	20	CDCD	
CCN(Cc1ccc(N(C)C)c(F)c1)[C@H]1CCNC1=O	281770348	MDSNCDDHEFPTCB-AWEZNQCLSA-N	279.359	1.602	10	20	CDCD	
Cn1cc2c(n1)CCC[C@H]2NC(=O)c1cc(O)cs1	802662382	UBOWIKXZOSAJSU-SNVBAGLBSA-N	277.349	1.995	10	20	CDCD	
CSCCONC(=O)c1c(F)ccc(O)c1O	295070727	CNQZNSRMTAMTGX-UHFFFAOYSA-N	261.274	1.261	10	20	CDCD	
Nc1ccc(CCNC(=O)C[C@H]2CCCC[C@@H]2N)cc1	295218884	QTMMORRZUPKNAK-HIFRSBDPSA-N	275.396	1.835	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)NC[C@@H](C)N)c1	817971492	DOTVBHHCMJAQMB-RKDXNWHRSA-N	252.314	1.177	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CCN(C)C2)c1	729535369	QBLXCJGELOFLPV-MNOVXSKESA-N	278.352	1.530	10	20	CDCD	
COCCN(CCC(=O)O)Cc1cccc(F)c1O	904269627	NONZDYQBNJGRNE-UHFFFAOYSA-N	271.288	1.454	10	20	CDCD	
Cc1nc(CC(=O)N[C@H](C)c2ccc(N(C)C)cc2)n[nH]1	832431575	RAJQMNGTNALEAJ-SNVBAGLBSA-N	287.367	1.599	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)COC1CCOCC1	735331785	QPDMWENUHKONAU-UHFFFAOYSA-N	279.336	1.546	10	20	CDCD	
COc1cc(O)c(CN2[C@H]3CC[C@H]2COC3)cc1OC	839179223	HAQSEWKTAFWDML-RYUDHWBXSA-N	279.336	1.773	10	20	CDCD	
O=C(C[C@@H]1CCCC[C@H]1O)NCc1ccc(O)cc1O	910946996	YOGFBWQWVKMSTL-GXFFZTMASA-N	279.336	1.655	10	20	CDCD	
COc1cc(O)c(CNC[C@H](C)CN)cc1OC	841050214	ZYISCBJEWPRYET-SECBINFHSA-N	254.330	1.094	10	20	CDCD	
CN(C)c1ccc([C@H](N)CN[C@H]2CCC[C@@H](N)C2)cc1	848714636	FKOIIJQIMGHOLN-IJEWVQPXSA-N	276.428	1.612	10	20	CDCD	
CC1(NCc2cc3c(cc2O)OCO3)CCNCC1	841065620	RILYDSVQNZZUCK-UHFFFAOYSA-N	264.325	1.353	10	20	CDCD	
C[C@H](C1CC1)N(C)S(=O)(=O)NCCc1ccc(N)cc1	842822279	CHEFMORQJISGTP-LLVKDONJSA-N	297.424	1.376	10	20	CDCD	
CO[C@@H]1COC[C@H]1NCc1ccc(N(C)C)c(F)c1	842752538	OLFSIHHUZINUTN-TZMCWYRMSA-N	268.332	1.395	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CCO[C@@H]([C@H](C)N)C2)c1O	843355821	KAIJUPWUNOOGLS-LKFCYVNXSA-N	296.342	1.282	10	20	CDCD	
COC/C(C)=C/C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	845929351	BDCJQIISIDMRTA-RUYJGKKWSA-N	279.336	1.738	10	20	CDCD	
CC(C)(C)OCC(=O)N(CC(=O)O)Cc1ccccc1O	911483499	BJFLYVNKYKERFY-UHFFFAOYSA-N	295.335	1.621	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1C[C@@H]2C[C@]2(CO)C1	840940312	XAXKSZVCIBORPY-GOEBONIOSA-N	260.381	1.875	10	20	CDCD	
N[C@@H]1CCCN(Cc2cc3c(cc2O)OCO3)C1	843044073	RYSAYUWSEUSZHO-SNVBAGLBSA-N	250.298	1.044	10	20	CDCD	
Nc1ccc(CCNC(=O)N(CCO)CC2CC2)cc1	841955311	YYJIRNIREYJVEX-UHFFFAOYSA-N	277.368	1.225	10	20	CDCD	
C[C@@H](O)[C@@H](C)NCc1ccc(N2CCC(O)CC2)cc1	853121173	AYHQVUNDQLCPPN-CHWSQXEVSA-N	278.396	1.507	10	20	CDCD	
CO[C@@]1(C)C[C@H]1NC(=O)NCc1cc(C)ccc1O	858623605	XKTIOZMTEMUOIY-OCCSQVGLSA-N	264.325	1.677	10	20	CDCD	
CN(C)c1cc(F)c(CNCC(=O)NC2CC2)cc1F	858096273	YCMWYEIWIIZYFZ-UHFFFAOYSA-N	283.322	1.399	10	20	CDCD	
C[C@@H](NCc1ccc(N(C)C)c(F)c1)c1cnnn1C	924861079	HJFFUMMXXCGCKU-SNVBAGLBSA-N	277.347	1.871	10	20	CDCD	
COCC[C@@H](CO)NCc1cc(F)c(N(C)C)cc1F	858161639	CIBINVLJKOTAAQ-NSHDSACASA-N	288.338	1.518	10	20	CDCD	
COc1cccc(CNCC[C@H](C)N(C)C)c1O	697874487	ZHGCHOJMCYYAQW-NSHDSACASA-N	252.358	1.831	10	20	CDCD	
CC[C@H](NC)C(=O)N[C@H](C)c1cc(OC)ccc1O	852802703	RQGVLZHQOSQKIM-SKDRFNHKSA-N	266.341	1.576	10	20	CDCD	
CN(C)c1cc(F)c(CN2CC[C@@H](CC(N)=O)C2)cc1F	862368524	IYAJRJVWCTVNMJ-JTQLQIEISA-N	297.349	1.728	10	20	CDCD	
C[C@H](CCS(C)(=O)=O)NC(=O)c1cc(O)cs1	762579831	WBMHOJAYCJCVCP-SSDOTTSWSA-N	277.367	1.007	10	20	CDCD	
CNC(=O)C[C@@H](C)NCc1ccc(N(C)C)cc1C	766028881	IEVGOVGDXFMHPI-GFCCVEGCSA-N	263.385	1.675	10	20	CDCD	
CN1CCN(Cc2cccc(Cl)c2O)[C@@H](CO)C1	877645011	YEUOPUHFHOFPKD-LLVKDONJSA-N	270.760	1.154	10	20	CDCD	
Cc1noc([C@@H](C)NC(=O)/C=C\c2ccc(O)c(O)c2)n1	779506653	RLYMDNWGASLYIW-RZAAKKIOSA-N	289.291	1.680	10	20	CDCD	
O=C(N[C@@H]1C[C@H]1C(F)(F)F)c1c(F)ccc(O)c1O	881428602	HOPVGJBIEQTQSB-INEUFUBQSA-N	279.189	1.918	10	20	CDCD	
CN1CCN(c2ccc(CNCc3cocn3)cc2)CC1	771850891	VVEYUTHWAZWQQI-UHFFFAOYSA-N	286.379	1.716	10	20	CDCD	
O=C(CCOC1CCOCC1)NCc1ccc(O)c(O)c1	778919380	BVZQOQIJWMPWAB-UHFFFAOYSA-N	295.335	1.300	10	20	CDCD	
COC[C@H](CN[C@@H](C)c1c(O)cccc1F)OC	886588773	YONMSRWVZVNHLX-UWVGGRQHSA-N	257.305	1.843	10	20	CDCD	
CCN(C)c1ccc(Cn2cc(CNC(C)=O)nn2)cc1	881314984	KCWKXBHSJCOFIM-UHFFFAOYSA-N	287.367	1.419	10	20	CDCD	
CCCCN(C)CCNC(=O)c1ccc(C)c(O)c1O	780938683	IONFBGVRLSTQQE-UHFFFAOYSA-N	280.368	1.868	10	20	CDCD	
C[C@H](O)CNCc1ccc(N2CCC(O)CC2)cc1	76275562	VKWARKRSAKDUEJ-LBPRGKRZSA-N	264.369	1.118	10	20	CDCD	
COC(=O)N(C)CCNCc1cc(Cl)ccc1O	689556029	ZLOHOGFBUTYGLC-UHFFFAOYSA-N	272.732	1.833	10	20	CDCD	
COc1ccc(O)c([C@@H](C)N[C@@H]2CCCS(=O)(=O)C2)c1	69141380	SDZDVCFVEXZGSS-GHMZBOCLSA-N	299.392	1.629	10	20	CDCD	
Nc1ccc(CC(=O)Nc2ccccc2-c2nn[nH]n2)cc1	1218856680	TVUMEYVFCXXHDG-UHFFFAOYSA-N	294.318	1.630	10	20	CDCD	
CN(C)C(=O)O[C@@H]1CCN(C(=O)c2cc(O)cs2)C1	1347774528	CVNFCPVRHOQQRO-SECBINFHSA-N	284.337	1.366	10	20	CDCD	
c1cc(N2CCCC2)ccc1CNC[C@@H]1CNCCCO1	1261370409	IONXHDGJSFMCNX-KRWDZBQOSA-N	289.423	1.755	10	20	CDCD	
COC(=O)CN(Cc1ccc(N)cc1)CC(C)C	1356083107	JWJRZHVKIXHMBO-UHFFFAOYSA-N	250.342	1.900	10	20	CDCD	
Cn1nc(C(=O)O)cc1NC(=O)NCc1ccccc1O	1601005116	SSAPIHKWOFHWFC-UHFFFAOYSA-N	290.279	1.146	10	20	CDCD	
CC(C)OC(=O)CSc1ncc(C(=O)O)s1	1609708763	BLWJGZXBVLZWNM-UHFFFAOYSA-N	261.324	1.885	10	20	CDCD	
Nc1ccc(CCNC(=O)[C@H]2CC[C@H](C(=O)O)CC2)cc1	1608273033	OTIAMLBOORWASU-JOCQHMNTSA-N	290.363	1.819	10	20	CDCD	
CCN(CCNCc1cc2c(cc1O)OCO2)C1CC1	227550813	NUWXLGRLVGUHOR-UHFFFAOYSA-N	278.352	1.695	10	20	CDCD	
CNCCOCCNCc1ccc(N(C)C)cc1C	1578710119	WEEIJUVMNLOGIQ-UHFFFAOYSA-N	265.401	1.387	10	20	CDCD	
O=C(NCc1cccc(O)c1O)[C@H]1CNCCC12CCC2	1580718099	BAPFLXUFPOWOHI-GFCCVEGCSA-N	290.363	1.494	10	20	CDCD	
COc1cccc(O)c1CN[C@@H]1CC=C(C(=O)O)C1	1599680160	CTUBZOLKFRAOFI-SNVBAGLBSA-N	263.293	1.664	10	20	CDCD	
COc1ccc(CN(C)CCCC(=O)O)c(O)c1OC	1594092000	GUILAOOACZUJQI-UHFFFAOYSA-N	283.324	1.706	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2C[C@@H]3C[C@@]3(C(=O)O)C2)c1O	1776210835	WELHVQCOQIVQPZ-ZUZCIYMTSA-N	293.294	1.640	10	20	CDCD	
CC(C)[C@@H](NC(=O)NCc1ccc(N(C)C)cc1)C(N)=O	161126505	XNPXUDXUWDOTKR-CYBMUJFWSA-N	292.383	1.062	10	20	CDCD	
CCOc1cccc(CN2CCC[C@H](C(N)=O)C2)c1O	155024924	FWKVNFGKZGITTR-LBPRGKRZSA-N	278.352	1.488	10	20	CDCD	
Cc1[nH]ncc1CCCNC(=O)c1cccc(O)c1O	126372219	CXMQHESTALEFRN-UHFFFAOYSA-N	275.308	1.492	10	20	CDCD	
C[C@H](CC(C)(C)O)NC(=O)Nc1ccc(N)cc1	841300664	YZWNDJWONRZYFX-SECBINFHSA-N	251.330	1.940	10	20	CDCD	
CNC(=O)[C@]1(C)CCN(Cc2ccc(C)cc2O)C1	877494971	QSAPXUPKTHZBSQ-OAHLLOKOSA-N	262.353	1.659	10	20	CDCD	
CC[C@@H](N)C(=O)N1CCN(c2ccc(OC)cc2)CC1	36871269	LHBNBBNRTNYSGI-CQSZACIVSA-N	277.368	1.081	10	20	CDCD	
c1cc(N2CCOCC2)ccc1CNC[C@H]1CCOC1	37738433	OZVSKSUCWQVEJU-OAHLLOKOSA-N	276.380	1.649	10	20	CDCD	
CCc1cccc(CN[C@@H](CO)CCOC)c1O	691493965	MJUBLGFUSHVMQS-CYBMUJFWSA-N	253.342	1.442	10	20	CDCD	
Cc1ccc([C@H](C)NCCCN2CCN(C)CC2)c(O)c1	20128530	QXBLIOXHCWUGRD-HNNXBMFYSA-N	291.439	1.989	10	20	CDCD	
CO[C@@H](C)CN(C)Cc1ccc(N2CCOCC2)cc1	182022188	OOXMELGGLSOLJJ-AWEZNQCLSA-N	278.396	1.990	10	20	CDCD	
CN(CCN1CCCC1=O)c1ccc2c(c1)OCO2	121270049	XMRMUFKWCPUEDP-UHFFFAOYSA-N	262.309	1.474	10	20	CDCD	
CN1CCCc2cc(CNC(=O)c3ccon3)ccc21	129007817	PYFJXWRONPGBHS-UHFFFAOYSA-N	271.320	1.987	10	20	CDCD	
CN(C)c1cccc(NC(=O)c2cccc(O)c2O)n1	189563603	LBKNAPICTGFZSD-UHFFFAOYSA-N	273.292	1.811	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H](CCO)C(C)(C)C)c(O)c1O	182981438	HMQDBJLSRPTJJL-NSHDSACASA-N	281.352	1.933	10	20	CDCD	
C[C@@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)[C@H](C)CO1	180916308	QCQIRGCVIUUSCS-JYBZGJHDSA-N	277.320	1.747	10	20	CDCD	
C[C@H](CN1CCN(C)CC1)N[C@H](C)c1ccc(F)cc1O	185392107	IMOJVSFLALTSAO-CHWSQXEVSA-N	295.402	1.818	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1(O)CCC1	186429079	UYNNAXQJHDZCJH-SECBINFHSA-N	265.309	1.060	10	20	CDCD	
COc1cc(NC(=O)N(C)Cc2ccccc2O)ncn1	182145489	JNFCCYBAMLPUPO-UHFFFAOYSA-N	288.307	1.855	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)c1cnn2ccncc12	189282265	JRPKQLZPMRAFDP-UHFFFAOYSA-N	282.303	1.707	10	20	CDCD	
COc1cccc(CN2CCC[C@@]23CCOC3=O)c1O	190030431	WVUBIIBSARZVTC-HNNXBMFYSA-N	277.320	1.682	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2cc[nH]c(=O)c2)c1	132759678	YKAARGZGKIIYBY-SECBINFHSA-N	288.303	1.580	10	20	CDCD	
CCCOc1ccc(CN[C@H]2C(=O)NCC[C@@H]2C)c(O)c1	193679887	XIFZEAFHFHLCCD-XHDPSFHLSA-N	292.379	1.795	10	20	CDCD	
Oc1ccc(Cl)cc1CN1C[C@@H]2CNC[C@H]2C1	90320078	JDOGFVMHDJHUKM-QWRGUYRKSA-N	252.745	1.697	10	20	CDCD	
C[C@H](N[C@@H](CO)c1cnn(C)c1)c1ccc(N(C)C)cc1	90885055	OIXYNOPLEQCYEQ-LRDDRELGSA-N	288.395	1.870	10	20	CDCD	
Cc1c(CNC(=O)N=c2ccn(C)[nH]2)n(C)c2ccccc12	348787845	TZIWWUYBVBAPON-UHFFFAOYSA-N	297.362	1.964	10	20	CDCD	
CCn1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)cn1	264800738	CFGVAMFAPDZREL-FPYGCLRLSA-N	297.361	1.189	10	20	CDCD	
C[C@H](NCC(=O)NCC(F)(F)F)c1ccc(F)cc1O	185179308	GZLWDJCRHUGHLO-ZETCQYMHSA-N	294.248	1.860	10	20	CDCD	
CNC(=O)[C@@]1(C)CCN(Cc2ccc(N(C)C)c(F)c2)C1	281249102	WZPQYAXEYIWWTM-INIZCTEOSA-N	293.386	1.850	10	20	CDCD	
COc1ccc(O)c([C@@H](C)N[C@H](C)C(=O)NCCF)c1	282963842	ZULVUCIBSJRPPO-NXEZZACHSA-N	284.331	1.526	10	20	CDCD	
COCC[C@@H]1COCCN1Cc1cc2c(cc1O)OCO2	291113627	MTPXQJWCYDGNPU-GFCCVEGCSA-N	295.335	1.358	10	20	CDCD	
CN(C)c1ccc(CN(CC(=O)N2CCC2)C2CC2)cc1	298724878	PVYODRFPIKQUHG-UHFFFAOYSA-N	287.407	1.949	10	20	CDCD	
C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1c(F)ccc(O)c1O	295217165	XVSUYAINPCNVCD-GZMMTYOYSA-N	294.326	1.449	10	20	CDCD	
COc1ccc(O)c(CN(C)C[C@@H](O)C2CC2)c1	809751789	KKSOFBYWIIPFTH-CQSZACIVSA-N	251.326	1.604	10	20	CDCD	
Cc1ccc(C(=O)N(C)[C@H]2CC(C)(C)OC2=O)c(O)c1O	817073497	JMFVZYNZFBECNR-JTQLQIEISA-N	293.319	1.572	10	20	CDCD	
C[C@H](C(=O)O)N(C)C(=O)/C=C/c1ccc(O)c(O)c1	819888377	BXTZCUPNSYPWMQ-YZCDNWJKSA-N	265.265	1.043	10	20	CDCD	
C[C@H](NC[C@@H]1CNCCCO1)c1ccccc1O	817982448	SMAITWXWVVGWCG-RYUDHWBXSA-N	250.342	1.421	10	20	CDCD	
C[C@@H]1CCCN1CCNC(=O)c1c(F)ccc(O)c1O	828833423	GCNFVOMQSWBACA-SECBINFHSA-N	282.315	1.451	10	20	CDCD	
Cc1cc(Br)c(O)c(CN(C)CC(=O)O)c1	820949306	NBVSPHRKESGADL-UHFFFAOYSA-N	288.141	1.980	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@H](N)CC(C)C)c1	828667289	PBTNKHQEHXDZKB-GXFFZTMASA-N	280.368	1.951	10	20	CDCD	
O=C1OCCN1[C@@H]1CCN(Cc2ccccc2O)C1	826995288	SQSICQAFPRJMDM-GFCCVEGCSA-N	262.309	1.419	10	20	CDCD	
CC(C)[C@@H](NC(=O)O)C(=O)NCCc1ccc(O)c(O)c1	826705341	ULHBHRYLMCCTKX-GFCCVEGCSA-N	296.323	1.049	10	20	CDCD	
Cc1ccc(O)c(CN2CCC[C@H](NC(=O)N(C)C)C2)c1	825278896	KTIZJJSADZDOMF-AWEZNQCLSA-N	291.395	1.936	10	20	CDCD	
CC[C@@H](NCc1cc(Cl)cc(F)c1O)C(=O)NC	825316711	RMVBIDWZKVTULM-SNVBAGLBSA-N	274.723	1.799	10	20	CDCD	
O=C(O)/C=C\c1ccc(N2CCC[C@H]2CO)c([N+](=O)[O-])c1	739627256	XSBFUUJMMVWWJC-QZPNVGJNSA-N	292.291	1.654	10	20	CDCD	
O=C1NC(=S)S/C1=C\c1c[nH]c(C(=O)O)c1	833361335	UFJVPHOXSZUBOY-KXFIGUGUSA-N	254.292	1.202	10	20	CDCD	
O=C(O)[C@@H]1C[C@H]1C(=O)NCc1cc(Cl)ccc1O	907809507	BBKJUUXYVHQRRL-RKDXNWHRSA-N	269.684	1.383	10	20	CDCD	
O=C(O)[C@@H](O)C1CCN(Cc2ccccc2O)CC1	833771061	ULAOESQHXRIJSV-ZDUSSCGKSA-N	265.309	1.050	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=N)NC[C@H]1CCCO1	849009174	IDRKGNVXCRPQIA-OAHLLOKOSA-N	290.411	1.854	10	20	CDCD	
COC(=O)CN(C)CCN(C)c1ccc(OC)cc1	844398900	DNDPBMIRYOYJQG-UHFFFAOYSA-N	266.341	1.236	10	20	CDCD	
CC(C)[C@@H](CNCc1cccc(F)c1O)C(=O)O	848639057	FCVKKEZGWLUOEA-SNVBAGLBSA-N	255.289	1.978	10	20	CDCD	
COC[C@@H](O)CCN[C@@H](C)c1cccc(OC)c1O	846157964	QKJBBOFLAWJORN-QWRGUYRKSA-N	269.341	1.449	10	20	CDCD	
C[C@@H](c1nnnn1C1CC1)N1CCCc2cc(CN)ccc21	843350651	RZYIJXWZNODYPY-NSHDSACASA-N	298.394	1.981	10	20	CDCD	
CC[C@@H](C)C[C@H](CO)NC(=O)c1cc(O)cs1	844150172	XKJXIRHVAQJKAO-RKDXNWHRSA-N	257.355	1.981	10	20	CDCD	
C[C@@H](N)C[C@@H](C)NCc1ccc(N2CCN(C)CC2)cc1	843129991	WIBRDMHGHYFHOL-HUUCEWRRSA-N	290.455	1.654	10	20	CDCD	
COc1cc(Cl)cc(CNCC(C)(C)N)c1O	841031458	URGUGTUTIILPHB-UHFFFAOYSA-N	258.749	1.881	10	20	CDCD	
COc1cc(Cl)cc(CN[C@H]2CCNC2)c1O	841044831	JNDKRZIAOSMTEQ-JTQLQIEISA-N	256.733	1.506	10	20	CDCD	
COC(=O)CCNC(=O)CSc1ncc(Cl)s1	849998451	PBTFFTYSKVUUDQ-UHFFFAOYSA-N	294.785	1.568	10	20	CDCD	
COCCCOCCC(=O)NCc1ccc(N)cc1	850711670	QNBJPNBLSNSFEE-UHFFFAOYSA-N	266.341	1.328	10	20	CDCD	
CC[S@](C)(=O)=NC(=O)c1ccc(C)c(O)c1O	925830827	HRTVVTMLBVVGSU-KRWDZBQOSA-N	257.311	1.664	10	20	CDCD	
OC[C@@H](CCF)NCc1c(O)cccc1Br	858184572	SLYFDUWDSZHXMJ-MRVPVSSYSA-N	292.148	1.965	10	20	CDCD	
CC(C)NC(=O)CN[C@@H](C)c1cc(F)cc(F)c1O	756364866	WJAQEFSYDJSHLT-QMMMGPOBSA-N	272.295	1.846	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)CS(=O)(=O)CC(C)C)c1	862758992	SJJLPACGNDVURQ-UHFFFAOYSA-N	299.392	1.388	10	20	CDCD	
COc1ccc(CNC(=O)c2cc(O)cs2)nc1	774357976	VPVYOJSHPTWIMK-UHFFFAOYSA-N	264.306	1.787	10	20	CDCD	
CCOC(=O)c1cnc(N(C)Cc2ccccc2O)cn1	777777338	XACFXAVNOMPHSW-UHFFFAOYSA-N	287.319	1.995	10	20	CDCD	
C[C@@H](NC(=O)c1cnc[nH]1)c1ccc(N(C)C)cc1	773024019	ZKMGTZWZFBQPNQ-SNVBAGLBSA-N	258.325	1.967	10	20	CDCD	
C[C@@H]1C[C@@H](NC(=O)/C=C/c2ccc(O)c(O)c2)CCO1	779547815	NQNMNWUXQGPYHZ-PEWKINPCSA-N	277.320	1.795	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2cc(OC)n(C)n2)c1	773400836	DJWAJPONAFXPNV-UHFFFAOYSA-N	291.307	1.073	10	20	CDCD	
CC(=O)N[C@@H](C)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	773011247	DXIJJUSQWKUBMI-MNOVXSKESA-N	277.368	1.454	10	20	CDCD	
O=C(NCc1cccc(O)c1O)c1cncnc1C1CC1	1123977628	KISXLFMNBSFCSR-UHFFFAOYSA-N	285.303	1.695	10	20	CDCD	
CN(C)c1ccc(CNc2cncc3ncnn23)cc1F	770502427	VBSSCCJBTYXPHL-UHFFFAOYSA-N	286.314	1.942	10	20	CDCD	
CN(C)C[C@@H]1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)C1	779522572	UVWDZBAVHYARLX-AGLBCWCQSA-N	290.363	1.521	10	20	CDCD	
O=C(COC(=O)C1(O)CCCCC1)c1ccc(O)c(O)c1	782641847	JSEFQBGFDIIRNO-UHFFFAOYSA-N	294.303	1.519	10	20	CDCD	
COc1cccc(CNCC2(O)CCCC2)c1O	96479177	ZGJFUCVKOLJLFT-UHFFFAOYSA-N	251.326	1.796	10	20	CDCD	
Cc1oc(C(=O)O)cc1S(=O)(=O)Nc1ccc(O)cc1	55311876	AGMBMAWRAXVPCO-UHFFFAOYSA-N	297.288	1.793	10	20	CDCD	
COC(=O)[C@@H]1C[C@H](F)CN1Cc1ccc(N(C)C)cc1	793339649	SBADHBZFXBLLHN-JSGCOSHPSA-N	280.343	1.838	10	20	CDCD	
CN1CCN(c2ccc(CNCC3(N)CC3)cc2F)CC1	1334754842	SSQNCQPVQCPYCA-UHFFFAOYSA-N	292.402	1.158	10	20	CDCD	
CO[C@@H]1CCCN(C(=O)NCc2ccc(N)cc2)C1	1337018949	MZXKZASXANQHKE-CYBMUJFWSA-N	263.341	1.589	10	20	CDCD	
CSC[C@@H](C)C(=O)NCc1cccc(O)c1O	1348045565	DQVXXLWJXNYZRM-MRVPVSSYSA-N	255.339	1.713	10	20	CDCD	
O=C(NCc1cccc(O)c1O)[C@H](O)C1CCCCC1	1349079473	MXPFZVBOBZDHOP-CQSZACIVSA-N	279.336	1.655	10	20	CDCD	
CN(C)c1ccc(CN[C@@H]2CCOC[C@@H]2CC(=O)O)cc1	1343443948	ORSKXRQLBSSSRL-DZGCQCFKSA-N	292.379	1.722	10	20	CDCD	
CNC1CC(C(=O)NCc2ccc(N(C)C)c(F)c2)C1	1341677361	MMHOLZKOAQTURE-UHFFFAOYSA-N	279.359	1.506	10	20	CDCD	
O=C(O)CCCC(=O)NCc1cccc(Cl)c1O	1606137802	NSNLNPBRABPEGI-UHFFFAOYSA-N	271.700	1.917	10	20	CDCD	
Cn1c(C(=O)O)ccc1C(=O)NCc1c(O)cccc1F	1600903798	LZLWYTWATIQTMV-UHFFFAOYSA-N	292.266	1.498	10	20	CDCD	
CC[C@@H](C(=O)O)N(C)C(=O)/C=C\c1ccc(O)c(O)c1	1589433239	CRUSRSAPEMAEAB-BXKUYDPTSA-N	279.292	1.433	10	20	CDCD	
Cc1ccc(O)c(CNc2ncncc2-c2nn[nH]n2)c1	1592186577	LVBUPVQTDIHJLE-UHFFFAOYSA-N	283.295	1.283	10	20	CDCD	
CCCOc1ccc(CN[C@H](CC(N)=O)C(=O)O)cc1C	1776820334	SWCNOBBQPLIZFZ-GFCCVEGCSA-N	294.351	1.202	10	20	CDCD	
COc1cccc(CNC(=O)c2ccncc2F)c1O	156157336	PYXJYQXYDMUCOT-UHFFFAOYSA-N	276.267	1.865	10	20	CDCD	
C[C@H](O)C[C@@H]1CCCCN1C(=O)c1cccc(O)c1O	126644015	FBUNEXTZTWHNLG-QWRGUYRKSA-N	279.336	1.863	10	20	CDCD	
COCCN(C)CCNCc1ccc2c(c1)CCCO2	921658213	OOKATFDUYMNTIX-UHFFFAOYSA-N	278.396	1.679	10	20	CDCD	
Cc1cccc(O)c1CNCCCC(=O)N(C)C	876982340	YSAGCEXDYHAHLB-UHFFFAOYSA-N	250.342	1.659	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCCCN1	37801146	RGUSBBRUDKSIAA-OAHLLOKOSA-N	275.396	1.853	10	20	CDCD	
COc1ccc(O)c(CNC[C@H](O)C2CCC2)c1	316661117	XCFKRNQIMBZELC-AWEZNQCLSA-N	251.326	1.651	10	20	CDCD	
CNC(=O)C[C@@H](C)N[C@@H](C)c1cc(C)ccc1O	322730768	VJBSFWGHVAODHH-MNOVXSKESA-N	250.342	1.876	10	20	CDCD	
CCc1cccc(CN2CCN3C(=O)NC[C@@H]3C2)c1O	692093467	VYQRYCJXDOBXJV-CYBMUJFWSA-N	275.352	1.164	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2cccc(N)n2)cc1	380944535	YUVXQUKMYUGLDT-UHFFFAOYSA-N	270.336	1.660	10	20	CDCD	
COc1ccc(O)c(CN[C@@H](CCO)C(F)(F)F)c1	894850900	LLKFYKIKHHFTST-NSHDSACASA-N	279.258	1.804	10	20	CDCD	
CC1CCN(c2ccc(CNC(=O)c3c[nH]nn3)cc2)CC1	108294564	AVZYVYGCQNLYRM-UHFFFAOYSA-N	299.378	1.971	10	20	CDCD	
COCc1cccc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c1	174052074	VXEOCPUEYHSRBL-UHFFFAOYSA-N	288.303	1.267	10	20	CDCD	
C[C@@H](NC[C@@H]1COCCO1)c1ccc(F)cc1O	62747888	MOMOFTPITGHGBL-MWLCHTKSSA-N	255.289	1.597	10	20	CDCD	
CCONC(=O)NCc1ccc(N2CCSCC2)cc1	171581071	UWBRVDKVKCASKE-UHFFFAOYSA-N	295.408	1.991	10	20	CDCD	
Cc1ccc(C(=O)N2CCNC(=O)[C@H]2C(C)C)c(O)c1O	179477428	ZZDDWPXXRBGOIE-LLVKDONJSA-N	292.335	1.003	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NC[C@H](O)c1ccccc1	181202644	RVVYAMZDPNZUCJ-DYLHUKMJSA-N	299.326	1.961	10	20	CDCD	
C[C@@H](NCC1(CO)COC1)c1cc(Cl)ccc1O	186146054	MHQJPVTZKSCTQH-SECBINFHSA-N	271.744	1.705	10	20	CDCD	
COC(=O)[C@H]1C[C@@H](O)CN1Cc1cccc(Cl)c1O	187567774	UREQYHPJCYFKLL-MWLCHTKSSA-N	285.727	1.154	10	20	CDCD	
CN[C@H]1CCN(Cc2cc(Cl)cc(OC)c2O)C1	229104652	HSQLPONXXBJWRF-NSHDSACASA-N	270.760	1.848	10	20	CDCD	
CCOc1ccc(O)c(CN(C)CCN2CCCC2=O)c1	93320435	VWYGNRGDFFDVCI-UHFFFAOYSA-N	292.379	1.845	10	20	CDCD	
CCOc1ccc(O)c(CNC[C@@]2(O)CCOC2)c1	269998595	QWEITKLCVWTUEX-AWEZNQCLSA-N	267.325	1.032	10	20	CDCD	
COCCCN[C@@H](C)c1cc(C(=O)OC)ccc1O	273380620	HZZQHNFKRQBBPT-JTQLQIEISA-N	267.325	1.866	10	20	CDCD	
Oc1ccccc1CN1CCN([C@@H]2CCC[C@@H]2O)CC1	361053451	RKPNMZZNCDQSKM-ZBFHGGJFSA-N	276.380	1.423	10	20	CDCD	
CCOCCN(CC)C(=O)c1ccc(C)c(O)c1O	272737694	HYLZYPJFFJBMBV-UHFFFAOYSA-N	267.325	1.905	10	20	CDCD	
CCOC(=O)N1CC[C@H](NC(=O)c2cccc(O)c2O)C1	280377371	DYYCEWNIMYALPA-VIFPVBQESA-N	294.307	1.058	10	20	CDCD	
CC(C)n1nccc1/C=C1\SC(=S)NC1=O	281283291	XOWMMKHYDGYALU-YVMONPNESA-N	253.352	1.953	10	20	CDCD	
O=C(COC(=O)c1cc(O)cs1)c1cscn1	805450014	OBDLJUCPZIKAKZ-UHFFFAOYSA-N	269.303	1.950	10	20	CDCD	
C[C@H]1C[C@@H](C)O[C@@H]1C(=O)OCC(=O)c1ccc(O)c(O)c1	800299652	KPSGEHNBZMGING-QIBSRJKCSA-N	294.303	1.637	10	20	CDCD	
C[C@@H](N[C@H](C)C1CNC1)c1ccc(N2CCOCC2)cc1	817891870	OVFFWEVLNQDQAA-ZIAGYGMSSA-N	289.423	1.782	10	20	CDCD	
C[C@@H](CN)CN[C@@H](C)c1cc([N+](=O)[O-])ccc1O	817962238	JRWUZZZIAWIAFR-IUCAKERBSA-N	253.302	1.546	10	20	CDCD	
Cn1ncc(C(=O)NCCc2ccc(N)cc2)c1C(F)F	818546104	PEZZQCXCUIWONV-UHFFFAOYSA-N	294.305	1.912	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)NCC[C@@H]2CCNC2)c1	817955208	SMFANZUUKVSMOA-NEPJUHHUSA-N	292.379	1.829	10	20	CDCD	
Cc1cc(O)c(CNC[C@@H]2CCCNC2=O)cc1Cl	826120297	BKLRYTLVFZVIQJ-JTQLQIEISA-N	282.771	1.970	10	20	CDCD	
CN(C)c1ccc(CNS(=O)(=O)C2(C)CC2)cc1	829787022	GQRHYBUSMDLWLQ-UHFFFAOYSA-N	268.382	1.725	10	20	CDCD	
COc1ccc(O)c(CNC(=O)NOCC2CCC2)c1	824055561	ORBOOSWWSRSJKC-UHFFFAOYSA-N	280.324	1.932	10	20	CDCD	
C[C@@H]1CN(C(=O)c2cc(O)cs2)C[C@H]1C(=O)O	828384580	ATYGXHYPNRWCSI-HTRCEHHLSA-N	255.295	1.246	10	20	CDCD	
CC[C@H](C)[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)O	820432322	MZTYFXMEFHTPFW-XWCFRMPJSA-N	293.319	1.727	10	20	CDCD	
COc1ccc(O)c(CN2CCC[C@H]3CN(C)C[C@H]32)c1	822520572	HGXOEQPZXBTLSL-SWLSCSKDSA-N	276.380	1.927	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)C[C@H]2CCCN2)c1	828667134	MWQVZAVVJYAZHJ-GHMZBOCLSA-N	278.352	1.720	10	20	CDCD	
CCC(=O)C1(C(=O)NCc2ccc(OC)cc2O)CC1	831032346	CTTZFBFJSYDSPZ-UHFFFAOYSA-N	277.320	1.776	10	20	CDCD	
C[C@@H]1C[C@@H](NC(=O)c2c(F)ccc(O)c2O)CS1	839829817	KIZCZQOTBXSXCF-RNFRBKRXSA-N	271.313	1.861	10	20	CDCD	
O=S(=O)(C[C@H]1CCCO1)Nc1ccc(O)c(F)c1F	830184969	SWCSEJBJLZXBGX-SSDOTTSWSA-N	293.291	1.591	10	20	CDCD	
COC/C(C)=C/C(=O)NCc1ccc(O)cc1O	910944083	RBAJEZCEWGJYPT-WEVVVXLNSA-N	251.282	1.307	10	20	CDCD	
CCOC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1cccc(O)c1O	836971705	NCIASORGRIEGCG-KOLCDFICSA-N	293.319	1.559	10	20	CDCD	
C[C@H]1CN(Cc2cccc(F)c2O)C[C@@H]1C(=O)O	833628958	CXAVLDTXWMWGCW-WPRPVWTQSA-N	253.273	1.684	10	20	CDCD	
N[C@@H](CNCc1cccc(Br)c1O)C1CC1	841048916	GQWYIPBJEIELPJ-NSHDSACASA-N	285.185	1.982	10	20	CDCD	
CCc1cccc(CN[C@H]2C(=O)NCC[C@@H]2C)c1O	848909680	ZIWBKSJIWOKAHD-GXFFZTMASA-N	262.353	1.569	10	20	CDCD	
Oc1c(Cl)cccc1CNC[C@@H]1C[C@H](F)CN1	841080621	WQCUFWFBTKANAD-UWVGGRQHSA-N	258.724	1.835	10	20	CDCD	
COc1ccc(N(C)CCN(C)C(=O)C(C)(C)N)cc1	846696810	IABPFDDALQUSNW-UHFFFAOYSA-N	279.384	1.327	10	20	CDCD	
O=C(COCC1CCCC1)NCc1ccc(O)cc1O	910945735	XDAXJZVXHNWLAE-UHFFFAOYSA-N	279.336	1.921	10	20	CDCD	
C[C@@H](NC(=O)N(C)C1CC(N)C1)c1ccc(N(C)C)cc1	841882426	YXMGYFDCIBHHBC-NUYPLMSZSA-N	290.411	1.945	10	20	CDCD	
COc1cccc([C@H](C)N[C@H](C)c2ncn(C)n2)c1O	846166210	UIVJFVLBOBLSPN-VHSXEESVSA-N	276.340	1.941	10	20	CDCD	
CC[C@H]1CN(Cc2cc3c(cc2O)OCO3)CC[C@H]1N	843053663	QBLUCGODVBCCFH-CMPLNLGQSA-N	278.352	1.680	10	20	CDCD	
CCOc1ccc(CN[C@H]2COC[C@@H]2C)c(O)c1	922641456	LTCBOJNBBFDEHM-GWCFXTLKSA-N	251.326	1.915	10	20	CDCD	
C[C@H]1COC[C@@H]1NC(=O)N(C)Cc1ccccc1O	925991851	JBMNJTDBEHZXMJ-JQWIXIFHSA-N	264.325	1.569	10	20	CDCD	
COC[C@H](OC)C(=O)NCc1ccc(N(C)C)cc1	854272090	YCAVNIFRQWCVOV-ZDUSSCGKSA-N	266.341	1.030	10	20	CDCD	
Cc1ccc(C(=O)N2C[C@@H](C)[C@@](C)(CO)C2)c(O)c1O	856252690	ZUSNCHJZXJEYPG-MEBBXXQBSA-N	279.336	1.497	10	20	CDCD	
CN(CCOCCN)Cc1ccc(N(C)C)c(F)c1	863650916	DWUGDSZHZBQPNQ-UHFFFAOYSA-N	269.364	1.299	10	20	CDCD	
CC[C@@H](NC[C@]1(O)CCN(C)C1)c1ccc(N(C)C)cc1	762790184	XZZJBQCTCSUADW-IAGOWNOFSA-N	291.439	1.860	10	20	CDCD	
O=C1NN(c2ccccc2)C(=O)/C1=C/c1cncs1	767728892	LDEFYFSCEXZTRS-IZZDOVSWSA-N	271.301	1.605	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@H]2CCSC2)c1	762541370	XWHKXNNQLTTYPX-VIFPVBQESA-N	267.350	1.770	10	20	CDCD	
COC[C@H]1CCCN1Cc1cc2c(cc1O)OC[C@@H]2O	768464415	QUJVQJFCSKMXOS-RISCZKNCSA-N	279.336	1.429	10	20	CDCD	
CCOc1ccc(CN2CCC[C@H](C(N)=O)C2)c(O)c1	771933077	BUWCPHPHZOGPCZ-LBPRGKRZSA-N	278.352	1.488	10	20	CDCD	
COc1cccc(CN[C@H](C)C[C@@H]2CCCC(=O)N2)c1O	877525928	MXZFAMNCCOFFTG-YPMHNXCESA-N	292.379	1.938	10	20	CDCD	
CCc1nc(C(=O)NCc2ccc(O)c(O)c2)co1	773413898	NYZZBGVNXNQBHN-UHFFFAOYSA-N	262.265	1.578	10	20	CDCD	
CCN[C@H](C)C(=O)N[C@H](C)c1cc(OC)ccc1O	876878503	FAEJKQJWWNNQJL-NXEZZACHSA-N	266.341	1.576	10	20	CDCD	
CC(C)[C@H](CN)CNC[C@@H](N)c1ccc(N(C)C)cc1	873210870	RCSHNGDRJDKEID-GDBMZVCRSA-N	278.444	1.573	10	20	CDCD	
CC1=NO[C@H](CNC(=O)N(C)Cc2ccccc2O)C1	875978134	KPHNDZOYFLCLQC-LBPRGKRZSA-N	277.324	1.698	10	20	CDCD	
CC(C)OC[C@@H]1CN(C(=O)c2cc(O)cs2)CCO1	771744690	UBIJWZYISPRFOI-NSHDSACASA-N	285.365	1.720	10	20	CDCD	
CC[C@@H](COC)NCc1cc(OC)c(OC)cc1O	776213557	UEELGZCLJKHFGJ-NSHDSACASA-N	269.341	1.924	10	20	CDCD	
COc1ccc(CN[C@@H](C)CN(C)C)c(O)c1OC	894444738	GKOFRIIRJKUQGG-JTQLQIEISA-N	268.357	1.449	10	20	CDCD	
COc1ccc(CN[C@@H]2C[C@@H](O)C2(C)C)c(O)c1OC	893707119	NNVXNFVDPVPCKL-VXGBXAGGSA-N	281.352	1.658	10	20	CDCD	
COc1ccc(O)c([C@H](C)N[C@H]2CCN(C3CC3)C2=O)c1	1320609730	JXVMIYVTHZZUTC-HZMBPMFUSA-N	290.363	1.815	10	20	CDCD	
C[C@@H]1CN(C(=O)NCc2ccc(N)cc2)CC[C@@H]1O	1335727082	YLUHVWJSFPIFFL-MFKMUULPSA-N	263.341	1.181	10	20	CDCD	
CN(Cc1ccccc1O)c1nnnn1C1CCOCC1	1334494441	GBSHLMGRQPOGSK-UHFFFAOYSA-N	289.339	1.367	10	20	CDCD	
Cn1ccc(CCNC(=O)NCc2ccc(N)cc2)n1	1336870380	BHESYXLHIQPJCH-UHFFFAOYSA-N	273.340	1.044	10	20	CDCD	
CN(Cc1cc2c(cc1O)OCO2)C[C@H]1CCCN1C	211556535	NUWQGYRMCOXWBB-GFCCVEGCSA-N	278.352	1.647	10	20	CDCD	
CN(Cc1cccc(Cl)c1O)C[C@H]1COCCO1	827141644	WIJSXEXVQDTWAR-NSHDSACASA-N	271.744	1.893	10	20	CDCD	
C[C@]1(N)CCCC[C@@H]1C(=O)NCc1cccc(O)c1O	1576532109	ZFPIQGHZJDYADW-ABAIWWIYSA-N	278.352	1.622	10	20	CDCD	
CC[C@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1O)C(=O)O	1593623370	XIWOHWHGGKZKOZ-XCBNKYQSSA-N	268.269	1.814	10	20	CDCD	
COc1cccc(O)c1CN[C@H](C)C1(CO)CC1	850361655	UPCCCSJQEWYJTK-SNVBAGLBSA-N	251.326	1.651	10	20	CDCD	
Cc1ccc(CN[C@H](C)CN2CCCC2=O)c(O)c1	876949880	BQOLXKCZQTXPJQ-GFCCVEGCSA-N	262.353	1.801	10	20	CDCD	
Cc1nc(CCN[C@@H](C)c2ccc(F)cc2O)n[nH]1	273446644	NXAACHFUOQDSJJ-QMMMGPOBSA-N	264.304	1.851	10	20	CDCD	
CC[C@@H](C)C[C@@H](NC(=O)Cc1ccc(N)cc1)C(=O)O	400408827	XGUGQUVNEKQLNC-ZWNOBZJWSA-N	278.352	1.817	10	20	CDCD	
Cc1nc(NCc2ccccc2O)sc1S(N)(=O)=O	311942470	KQKVCSOWWZHQET-UHFFFAOYSA-N	299.377	1.417	10	20	CDCD	
Cn1cnnc1CNCc1c(O)cccc1Br	706829856	BTHCYOVOGXNVJE-UHFFFAOYSA-N	297.156	1.573	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)Nc1ccn(C)n1	107056198	AKXJZCGCLNVRAV-UHFFFAOYSA-N	260.297	1.790	10	20	CDCD	
CCCNC(=O)CCC(=O)N(C)Cc1ccccc1O	109952567	OJNOLKMGAMDLEK-UHFFFAOYSA-N	278.352	1.657	10	20	CDCD	
CN(C)c1ccc(CN2CCS(=O)CC2)cc1F	119398504	JKJCPSSYXQAFMW-UHFFFAOYSA-N	270.373	1.456	10	20	CDCD	
O=S(=O)(NCc1ccccc1O)c1ccc(Cl)nc1	158588598	UCVZKVBSZMSSFU-UHFFFAOYSA-N	298.751	1.919	10	20	CDCD	
Cc1ccc(C(=O)NC[C@H]2CCCC[C@@H]2O)c(O)c1O	182493658	BTSHLKWYWYBPCZ-PWSUYJOCSA-N	279.336	1.687	10	20	CDCD	
COCCc1noc(CN(C)Cc2cccc(C)c2O)n1	180376136	COCMNBHLFWKVME-UHFFFAOYSA-N	291.351	1.905	10	20	CDCD	
CCN(CC)c1ccc(CN[C@]2(CO)CCOC2)cc1F	184196944	XKZBMPBIZWXODI-INIZCTEOSA-N	296.386	1.913	10	20	CDCD	
Cc1cccc(CN2CCS(=O)(=O)CC[C@@H]2C)c1O	192059894	IJVRBSJRFZMBKP-LBPRGKRZSA-N	283.393	1.710	10	20	CDCD	
C[C@H](NC(=O)N(C)C)c1ccc(N2CCOCC2)cc1	140257483	JTRHYTDVNNZPHU-LBPRGKRZSA-N	277.368	1.855	10	20	CDCD	
C[C@@H](NCCCCO)c1ccc(N2CCOCC2)cc1	194227778	GTBDNDVAGUKFFM-CQSZACIVSA-N	278.396	1.946	10	20	CDCD	
CCN(C)c1ccc([C@@H](C)NCC2(CO)COC2)cc1	90644369	VRTKGAXLKSPFTM-CYBMUJFWSA-N	278.396	1.802	10	20	CDCD	
CCN(C)c1ccc([C@H](C)NCC2(CO)COC2)cc1	90644373	VRTKGAXLKSPFTM-ZDUSSCGKSA-N	278.396	1.802	10	20	CDCD	
Cc1cc(O)c(CNC[C@@]2(O)CCSC2)cc1C	267009474	GGPDPCIGOHNVNI-AWEZNQCLSA-N	267.394	1.967	10	20	CDCD	
C[C@@H](NC[C@@H](O)C1CCOCC1)c1ccc(F)cc1O	273345759	APUUPIOWNXCXLG-MEBBXXQBSA-N	283.343	1.969	10	20	CDCD	
C[C@@H](CNC(=O)c1c(F)ccc(O)c1O)N(C)C1CC1	276625874	RTLSJRRFERULJA-QMMMGPOBSA-N	282.315	1.449	10	20	CDCD	
CN(CCCn1ccnc1)C(=O)c1c(F)ccc(O)c1O	276558363	LJLQJJFLTSNFMV-UHFFFAOYSA-N	293.298	1.596	10	20	CDCD	
C[C@H](CF)NC(=O)NCc1ccc(N2CCOCC2)cc1	287029647	DXGCEHWCYYCEFG-GFCCVEGCSA-N	295.358	1.680	10	20	CDCD	
CC[C@@H](NCCN1C(=O)CNC1=O)c1ccc(F)cc1O	285940406	DJSXRSZVUMTDBE-LLVKDONJSA-N	295.314	1.124	10	20	CDCD	
O=C(O)[C@@H]1CC[C@H](NCc2ccc3c(c2)CCO3)C1	819162973	ZXMJRWXMOYHESM-OLZOCXBDSA-N	261.321	1.964	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)c2cc[n+]([O-])cc2)c1	728983774	FXHOHGFKCZVVND-JTQLQIEISA-N	288.303	1.525	10	20	CDCD	
COc1cc(O)c(CN2CC[C@@H](F)C2)cc1OC	824571229	LKCYNEFIQPDOKF-SNVBAGLBSA-N	255.289	1.953	10	20	CDCD	
COc1cc(Cl)cc(CN2CCc3nn[nH]c3C2)c1O	827884828	JBWNWOLTYJUWJQ-UHFFFAOYSA-N	294.742	1.731	10	20	CDCD	
COc1cccc(CN2CC[C@@H]3NC(=O)CC[C@@H]3C2)c1O	827141580	UVTMFRYBEVQSLH-YPMHNXCESA-N	290.363	1.501	10	20	CDCD	
C[C@@H](NC(=O)[C@@H]1CCC[C@H](C(N)=O)C1)c1ccccc1O	827946470	JDVDWPAFKDNPQN-GRYCIOLGSA-N	290.363	1.861	10	20	CDCD	
CC(C)C[C@@H](O)CNC(=O)c1c(F)ccc(O)c1O	827090420	PMLQPEAEQWPYMV-MRVPVSSYSA-N	271.288	1.374	10	20	CDCD	
O=C(/C=C\c1cncc(O)c1)N1C[C@H](CO)c2ccccc21	492975441	VBEBRMDIYMJVAA-CFHLNLSMSA-N	296.326	1.923	10	20	CDCD	
CCn1cc(CNC(=O)c2cc(O)cs2)cn1	736680843	XSGHHSDWHYAMCM-UHFFFAOYSA-N	251.311	1.600	10	20	CDCD	
O=C(c1c(F)ccc(O)c1O)N1CCC[C@H]2C[C@H]21	831818724	OEJZYVTVGAOOMA-IONNQARKSA-N	251.257	1.861	10	20	CDCD	
CN(CCn1cccn1)C(=O)c1cc(O)cs1	732302153	NISRMCJKPBUIHB-UHFFFAOYSA-N	251.311	1.422	10	20	CDCD	
CNC(=O)[C@H](CCSC)N[C@H]1CCc2cccc(O)c21	834803184	MDQSFMOXLTVXGT-RYUDHWBXSA-N	294.420	1.837	10	20	CDCD	
CCOc1ccc(O)c(CN2CCN(C(=O)O)CC2)c1	833662360	CMAPWDFZMHAEQN-UHFFFAOYSA-N	280.324	1.587	10	20	CDCD	
O=C(Nc1nnc2ccccn12)c1cc(O)cs1	732268399	FNARHCALRPDMTJ-UHFFFAOYSA-N	260.278	1.749	10	20	CDCD	
O=C(O)[C@@]1(F)CCN(Cc2c(O)ccc3ccncc23)C1	833175391	PUANJGYDZWCWLU-OAHLLOKOSA-N	290.294	1.939	10	20	CDCD	
CC[C@@H](N)CNCc1ccc(N2CCOCC2)c(F)c1	841073418	WYDABHJARWYIDV-CYBMUJFWSA-N	281.375	1.489	10	20	CDCD	
Cc1noc(CN(C)C(=O)NCCc2ccc(N)cc2)n1	848603156	LWUCRANQWPPJCF-UHFFFAOYSA-N	289.339	1.344	10	20	CDCD	
COc1cc(C)cc(CN2CCO[C@@H](CF)C2)c1O	840171255	IFHBJTSVAZBZAP-LBPRGKRZSA-N	269.316	1.880	10	20	CDCD	
CN(C)c1ccc([C@@H](N)CNC(=O)C2(N)CCCC2)cc1	841845663	CRGLMWOODJKSAU-AWEZNQCLSA-N	290.411	1.140	10	20	CDCD	
CCC[C@@H]1CN(C(=O)C(=O)Nc2ccc(N)cc2)CCO1	841077535	CGCZAISDFXJIDH-CYBMUJFWSA-N	291.351	1.235	10	20	CDCD	
Nc1ccc(CCNC(=O)N[C@@H](CO)C2CCCC2)cc1	841956204	YMZWDRMDHLIKRP-HNNXBMFYSA-N	291.395	1.662	10	20	CDCD	
Cn1nc(C2CC2)nc1CC(=O)NCc1ccccc1O	843833614	WSCLPGVLQWZVHD-UHFFFAOYSA-N	286.335	1.257	10	20	CDCD	
CNC(=O)Cc1noc(CSc2nccs2)n1	750004462	VOLZXEUPTKMLIM-UHFFFAOYSA-N	270.339	1.107	10	20	CDCD	
C[C@H](NCc1ccc(N2CCC(O)CC2)cc1)[C@@H](C)O	853121178	AYHQVUNDQLCPPN-QWHCGFSZSA-N	278.396	1.507	10	20	CDCD	
CCOc1cccc(CN[C@@H]2CC[C@H](C(N)=O)C2)c1O	825278876	KCVUJLCJUFNGNT-CMPLNLGQSA-N	278.352	1.535	10	20	CDCD	
C[C@H](NCc1nc(O)cc(CN)n1)c1ccc(F)cc1O	854232361	NIOZISNQGWKXAO-QMMMGPOBSA-N	292.314	1.336	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)NCCN2CCC2)c1	756766802	CQMARAMJYYTFDW-LLVKDONJSA-N	278.352	1.535	10	20	CDCD	
O=S(=O)(CC[C@@H]1CCCO1)NCc1ccccc1O	751151781	XSODPMWXOOYVCK-LBPRGKRZSA-N	285.365	1.381	10	20	CDCD	
O=S(=O)(CCC1CC1)NCc1ccc(O)cc1O	867416677	FOUUEMQSTHNGLQ-UHFFFAOYSA-N	271.338	1.317	10	20	CDCD	
C[C@@]1(C(=O)NCCCSc2nccs2)CCNC1=O	874465118	RIVLJHXYRXBZMA-LBPRGKRZSA-N	299.421	1.268	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1cnc(CN)nc1	876872313	ASJVXRGNGDRABL-UHFFFAOYSA-N	299.378	1.274	10	20	CDCD	
Cc1cccc(O)c1CN1C[C@H](C)O[C@@H](CO)C1	877466428	JNBSPXSYSYZADU-NWDGAFQWSA-N	251.326	1.282	10	20	CDCD	
CCS(=O)(=O)NCCCN[C@H](C)c1ccccc1O	879649321	NEJYJNXCJCFDCO-LLVKDONJSA-N	286.397	1.372	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N1CCC(F)(F)C1	779545943	VHHCPUFOSOGDRJ-RQOWECAXSA-N	269.247	1.979	10	20	CDCD	
C[C@@H](CN1CCN(C)CC1)N[C@@H](C)c1c(O)cccc1F	886525005	VOMAWVBXFMFOGA-STQMWFEESA-N	295.402	1.818	10	20	CDCD	
CC[C@H](CO)C(=O)N(C)Cc1ccc(N(C)C)cc1	779591398	QKBVJZGYHZHMES-CYBMUJFWSA-N	264.369	1.730	10	20	CDCD	
CCc1nn(C)cc1S(=O)(=O)NCc1ccccc1O	881913706	SFZGVGYATZPTBM-UHFFFAOYSA-N	295.364	1.167	10	20	CDCD	
CC[C@@H]1C[C@@H](C(=O)NCc2ccc(O)c(O)c2)CCO1	780984691	LTCMLFVUJUHWOR-NWDGAFQWSA-N	279.336	1.919	10	20	CDCD	
CC1(C)CNC(=O)[C@H]1NCc1cc(F)ccc1O	895317503	WRMHTDCFSDEWEM-LLVKDONJSA-N	252.289	1.146	10	20	CDCD	
COC1(CO)CCN(Cc2cc(F)cc(F)c2O)CC1	894578276	IFBKAYURDMYYAI-UHFFFAOYSA-N	287.306	1.644	10	20	CDCD	
COCC(C)(C)NCc1ccc(OC)c(OC)c1O	892857012	ZBIQZGWESRBWSO-UHFFFAOYSA-N	269.341	1.924	10	20	CDCD	
COc1ccc(O)c(CN2[C@@H](C)[C@@H](C)NC(=O)[C@H]2C)c1	895119137	VSKCZFRGGHMGAO-OUAUKWLOSA-N	278.352	1.498	10	20	CDCD	
CC(=O)N[C@@H](C(=O)NCc1ccccc1O)C(C)C	701127726	GKSMKWJLUNVYDG-CYBMUJFWSA-N	264.325	1.169	10	20	CDCD	
C[C@@H](NCc1ccc2c(c1)CCCO2)C(=O)N(C)C	921814465	BDNRRRNLFBSRCY-LLVKDONJSA-N	262.353	1.578	10	20	CDCD	
CC1=CCCN(C(=O)C(=O)NCCc2ccc(N)cc2)C1	1327544081	DKESZXQXJARLPN-UHFFFAOYSA-N	287.363	1.106	10	20	CDCD	
CCCCCN(CCO)C(=O)NCc1ccc(N)cc1	1335737386	OTYMLMVSFYCUEG-UHFFFAOYSA-N	279.384	1.963	10	20	CDCD	
Cc1ccc(O)c(CNS(=O)(=O)CC[C@H]2CCOC2)c1	1261796433	ALIFUICPXWYSMU-GFCCVEGCSA-N	299.392	1.547	10	20	CDCD	
CO[C@H]1CC[C@@H](NC(=O)NCc2ccc(N)cc2)C1	1262581108	ITNCMOYJXXXHMR-OLZOCXBDSA-N	263.341	1.636	10	20	CDCD	
CCCCN(CCCO)C(=O)NCc1ccc(N)cc1	1346739971	WDHDNEZVKMNBDY-UHFFFAOYSA-N	279.384	1.963	10	20	CDCD	
CCCN1CC[C@H](CNC(=O)NCc2ccc(N)cc2)C1	1356583406	FDQQXUPMTCIXCR-CQSZACIVSA-N	290.411	1.800	10	20	CDCD	
O=C(NCc1cccc(O)c1O)[C@@H]1CCc2nc[nH]c2C1	1350300449	RGKUKMFUMZIIIS-SECBINFHSA-N	287.319	1.242	10	20	CDCD	
CN1CCC(N(CCO)Cc2ccc(N)cc2)CC1	1352787718	IJOVIVUJOBJLNA-UHFFFAOYSA-N	263.385	1.157	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CNC(C)(C)C)cc1	105854940	AFSZLXQHNJIUIU-UHFFFAOYSA-N	263.385	1.757	10	20	CDCD	
CC(C)[C@H](C(=O)O)C(=O)N1Cc2cccc(O)c2C1	1602964592	GKWBIEUUIOSTIE-LBPRGKRZSA-N	263.293	1.591	10	20	CDCD	
O=C(O)[C@@H]1CCN1C(=O)c1cc2cc(O)c(O)cc2s1	1608638772	HIIPVRLVKHGYMY-ZETCQYMHSA-N	293.300	1.612	10	20	CDCD	
COc1cc(C)c(CN[C@H]2C[C@H](CN)C2)c(O)c1	1579145047	SJMYHDBAVCTUJX-XYPYZODXSA-N	250.342	1.536	10	20	CDCD	
COC(C)(C)CS(=O)(=O)NCc1ccc(N)cc1	1578893154	XCGYENHLZOSYAI-UHFFFAOYSA-N	272.370	1.113	10	20	CDCD	
Cc1ncc(C(=O)NCCc2ccc(O)c(O)c2)n1C	901122286	NSGDDAYRZBBLEZ-UHFFFAOYSA-N	275.308	1.112	10	20	CDCD	
CN(Cc1ccccn1)C(=O)c1cccc(O)c1O	126261308	MFGDIPUAFAKLCJ-UHFFFAOYSA-N	258.277	1.765	10	20	CDCD	
C[C@H]1CN(C(=O)CN(C)c2ccc(N)cc2)C[C@@H](C)O1	702068672	AHNKRUFKORRNOC-TXEJJXNPSA-N	277.368	1.341	10	20	CDCD	
C[C@H](N[C@H](CO)C[C@H]1CCCO1)c1ccccc1O	886667939	KXZMAUIBFZZNQN-RWMBFGLXSA-N	265.353	1.973	10	20	CDCD	
COc1cccc(CN2C[C@@H](C(=O)O)C[C@@H](C)C2)c1O	399011524	RPRRUHRAPSFDMR-PWSUYJOCSA-N	279.336	1.943	10	20	CDCD	
CC(=O)N[C@](C)(C(=O)N(C)c1ccc(N)cc1)C(C)C	1344368918	NLUPKYKGAIDECN-HNNXBMFYSA-N	277.368	1.782	10	20	CDCD	
Cc1ccc(C(=O)NC[C@H]2CCCN(C)C2)c(O)c1O	179488103	CNBVMCDSXPKZJW-LLVKDONJSA-N	278.352	1.478	10	20	CDCD	
COCCN1CCN(Cc2cc(C)c(C)cc2O)CC1	120863002	YGNAZUGKKGQXLN-UHFFFAOYSA-N	278.396	1.773	10	20	CDCD	
COC1(CNCc2cc([N+](=O)[O-])ccc2O)CCC1	181073274	JOERRDKZPAYWQY-UHFFFAOYSA-N	266.297	1.959	10	20	CDCD	
C[C@@H]1CN(Cc2cc(F)ccc2O)CCN1CC(C)(C)O	188896934	CPRGRIMERUPZTB-GFCCVEGCSA-N	296.386	1.808	10	20	CDCD	
Cc1ccc(C(=O)N(C)C[C@@H]2CCC[C@H]2O)c(O)c1O	182904262	WSXIGBRQVAXNMM-CMPLNLGQSA-N	279.336	1.639	10	20	CDCD	
COC[C@H](C)CNC(=O)/C=C/c1ccc(O)c(O)c1	180981784	SABUTLQHJXCBQO-DFVUYQKZSA-N	265.309	1.510	10	20	CDCD	
CC(=O)NCC(=O)NCc1c(C)c2ccccc2n1C	348631877	AAYOYHCQJXCIBF-UHFFFAOYSA-N	273.336	1.239	10	20	CDCD	
COC(=O)C[C@H](C)C(=O)NCc1cccc(OC)c1O	268403585	GRAPDVWHPNMZKV-VIFPVBQESA-N	281.308	1.216	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)N[C@H](CO)C(C)C)c1	273586797	NYOSCDJQBUQFFV-ZWNOBZJWSA-N	281.352	1.846	10	20	CDCD	
C[C@@H](NCc1cc(F)ccc1O)C(=O)NCCF	282883809	YSUNZUQMWKWLPM-MRVPVSSYSA-N	258.268	1.095	10	20	CDCD	
Cc1cc(NS(=O)(=O)c2c(C)cnn2C)ccc1O	285041873	IGNHHAHEXHWCMY-UHFFFAOYSA-N	281.337	1.543	10	20	CDCD	
C[C@H](CO)N(C)C(=O)NCc1ccc2c(c1)CCCN2C	287118494	BGPFSVGCWZXUFL-GFCCVEGCSA-N	291.395	1.591	10	20	CDCD	
COc1ccc(O)c(CN2CC[C@H](n3cncn3)C2)c1	372371270	WIQCGHMTWUWNSU-LBPRGKRZSA-N	274.324	1.439	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@H](C)CCCCO)c1O	294925234	BDXGEEIFZVSLFB-SNVBAGLBSA-N	298.339	1.950	10	20	CDCD	
Cc1cc(CN(C)Cc2nnc[nH]2)ccc1N(C)C	292793510	LQQGYAGJVWDVAH-UHFFFAOYSA-N	259.357	1.811	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H](CO)C2CCCC2)c(O)c1O	292093188	YLLMTFNLBHHRMG-LBPRGKRZSA-N	279.336	1.687	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2NCC2(C)C)c1	828666216	BWCSXIAAENVEPG-NOZJJQNGSA-N	278.352	1.576	10	20	CDCD	
O=C(C[C@@H]1CSCCS1)NCc1ccc(O)cc1O	827811768	UAWWUQWDHZYDJW-LLVKDONJSA-N	299.417	1.953	10	20	CDCD	
C[C@@H](NC(=O)[C@@H]1C[C@@H]1C(N)=O)c1ccc(N(C)C)cc1	907491825	HMAKQCZSLPWMFK-JIMOISOXSA-N	275.352	1.051	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2ccc(OC)nn2)c1	738542059	ZYGYYACWYBFCEO-UHFFFAOYSA-N	289.291	1.129	10	20	CDCD	
COC[C@@H]1COCCN1Cc1cc(C)c(C)cc1O	902561261	BSIKMIIWNZQAKD-CQSZACIVSA-N	265.353	1.856	10	20	CDCD	
COc1ccc(O)c(CNC(=O)CN2CCSC2=O)c1	734015433	JHVIDIVZBHOJNC-UHFFFAOYSA-N	296.348	1.186	10	20	CDCD	
COC[C@@H](NC/C=C/c1ccc(N(C)C)cc1)C(=O)O	901477124	HBSBXHQBZFPIOW-ISZGNANSSA-N	278.352	1.455	10	20	CDCD	
O=C(CNC(=O)c1cc(O)cs1)NCc1ccccc1	731869479	IPWWPVJQQDEHHW-UHFFFAOYSA-N	290.344	1.500	10	20	CDCD	
C[C@]1(CNCc2cccc(Cl)c2O)CCC(=O)N1	835060054	IFFCJZMWQRXZCX-CYBMUJFWSA-N	268.744	1.804	10	20	CDCD	
COc1cccc(CN2CCC([C@@H](O)C(=O)O)CC2)c1O	833735578	PECYAVIENSTTDM-CQSZACIVSA-N	295.335	1.058	10	20	CDCD	
CN1C(=O)C2(CCCC2)N[C@@H]1c1cc(C(=O)O)ccc1O	830901040	BUYSWAFWEDJYRO-LBPRGKRZSA-N	290.319	1.463	10	20	CDCD	
Cc1cc(O)c(CN[C@H](C)CN2CCOCC2)cc1C	742367487	WWXKRSQZTJAZLS-CQSZACIVSA-N	278.396	1.819	10	20	CDCD	
C[C@@H]1C[C@@H](NCc2ccc(N3CCN(C)CC3)cc2)CO1	842776737	ZMZAJQDMGUAEKW-GDBMZVCRSA-N	289.423	1.705	10	20	CDCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NS(=O)(=O)N(C)C	841569929	OTJZKKKOSHKETD-LBPRGKRZSA-N	299.440	1.388	10	20	CDCD	
CCOCCN(C)C(=O)NCCc1ccc(N)cc1	841960447	QOSDMNQCCBMTPK-UHFFFAOYSA-N	265.357	1.489	10	20	CDCD	
COC(=O)C[C@@H](C)C(=O)N[C@H](C)c1cc(OC)ccc1O	759086251	RISMBINOXSZQBF-NXEZZACHSA-N	295.335	1.777	10	20	CDCD	
C[C@H](NC[C@H](O)COCC1CC1)c1cc(F)ccc1O	756511985	UKFBWYLWHJMVCY-GWCFXTLKSA-N	283.343	1.969	10	20	CDCD	
COc1ccc(O)c(CN2CCN(C(C)=O)CC2)c1	131781965	ZKXXOSJPYXEEPI-UHFFFAOYSA-N	264.325	1.065	10	20	CDCD	
CC[C@H](NCc1cc(Cl)cc(OC)c1O)C(=O)NC	697915072	FTLKIIJPMSLADY-JTQLQIEISA-N	286.759	1.668	10	20	CDCD	
CC[C@](C)(O)C(=O)NCc1cccc(OC)c1O	934939664	BLMZZUHOVYPJGP-ZDUSSCGKSA-N	253.298	1.178	10	20	CDCD	
CCN(C(=O)c1ccc(C)c(O)c1O)C1CCN(C)CC1	861892842	UIJGQUWQDRMOPS-UHFFFAOYSA-N	292.379	1.963	10	20	CDCD	
CN(Cc1cscn1)Cc1cc2c(cc1O)OC[C@@H]2O	768442856	OLYRYEIZIHDGBX-ZDUSSCGKSA-N	292.360	1.907	10	20	CDCD	
CC(C)NC(=O)CCNC(=O)N[C@H](C)c1ccccc1O	868085888	CITRPJDYRKRVNS-LLVKDONJSA-N	293.367	1.667	10	20	CDCD	
CSC[C@H](CCO)NC(=O)c1cc(O)cs1	765257629	OYPXWAGIOJPYEW-ZETCQYMHSA-N	261.368	1.298	10	20	CDCD	
CC(C)NC(=O)[C@@H](C)NCc1cc([N+](=O)[O-])ccc1O	777743468	BJLMAPLUJVGGFS-SECBINFHSA-N	281.312	1.303	10	20	CDCD	
COC[C@@H]1CN(Cc2ccc(C)cc2O)C[C@@H](C)O1	877464202	LYOBLOYMNFZPPT-OCCSQVGLSA-N	265.353	1.936	10	20	CDCD	
COc1ccc(O)c(CNC[C@H](CO)Cc2ccco2)c1	776249072	SCBBUNJDVAYSAO-GFCCVEGCSA-N	291.347	1.935	10	20	CDCD	
COCCN(C)Cc1ccc([N+](=O)[O-])c(OC)c1O	774838369	SSRHONYONIGGDV-UHFFFAOYSA-N	270.285	1.387	10	20	CDCD	
CC(C)N(CCO)Cc1ccc(N2CCN(C)CC2)cc1	775643603	SJDWNXKQSANREK-UHFFFAOYSA-N	291.439	1.641	10	20	CDCD	
Cc1ccc(C)n1-c1ccc(C(=O)N[C@H]2CNC(=O)C2)cc1	779366078	BFJAMVMZNNYKPY-CQSZACIVSA-N	297.358	1.712	10	20	CDCD	
Nc1ccc(CNC(=O)N2C[C@@H]3CCC[C@H](N)[C@H]3C2)cc1	1120592160	QJPCNCBSVLUWAB-QEJZJMRPSA-N	288.395	1.538	10	20	CDCD	
CCOc1ccc(CN2C[C@@H](CO)OC[C@H]2C)c(O)c1	770350143	FLVGEYUSMQTZIK-RISCZKNCSA-N	281.352	1.373	10	20	CDCD	
CS[C@H](C)CC(=O)OCC(=O)c1ccc(O)c(O)c1	784386968	UNPCETLKWMNMLB-MRVPVSSYSA-N	284.333	1.965	10	20	CDCD	
CCOC(=O)[C@H]1CCN(C(=O)c2cccc(O)c2O)C1	884734003	NLLPMEJDVGTHOJ-VIFPVBQESA-N	279.292	1.123	10	20	CDCD	
COc1cc(O)c(CN[C@H](C)C[C@@H](C)O)cc1OC	783602423	LDDDMISUUNORGG-NXEZZACHSA-N	269.341	1.658	10	20	CDCD	
CCOc1ccc(CN2CC[C@@H](C3OCCO3)C2)c(O)c1	896386322	ZBRXGFDEXJYGBY-CYBMUJFWSA-N	293.363	1.986	10	20	CDCD	
COC(=O)C(C)(C)CNCc1cc(C)cc(OC)c1O	894141855	WJLITDXTILCAKA-UHFFFAOYSA-N	281.352	1.998	10	20	CDCD	
C[C@H]1C(=O)N(C)[C@H](C)[C@@H](C)N1Cc1cc(F)ccc1O	895919380	FSFUWYKTAJSBGN-MXWKQRLJSA-N	280.343	1.971	10	20	CDCD	
COc1ccc(CNC(=O)Cc2cc(C)[nH]n2)c(O)c1	794373403	JLQOQPSLEQIROC-UHFFFAOYSA-N	275.308	1.291	10	20	CDCD	
O=C(NN1CCc2ccccc2C1=O)c1cccc(O)c1O	790911880	VBEPCVSMBASMTP-UHFFFAOYSA-N	298.298	1.441	10	20	CDCD	
Cc1noc(C)c1CC(=O)NCCc1ccc(N)cc1	63129807	BSMGOKQWJAIDST-UHFFFAOYSA-N	273.336	1.775	10	20	CDCD	
CCc1cccc(CNC[C@@H]2COCCO2)c1O	691481351	GOVDKEKXONFATP-CYBMUJFWSA-N	251.326	1.460	10	20	CDCD	
CC(C)n1ncc(C(=O)NCc2ccccc2O)c1N	757936844	NBMCTZIAESVQGX-UHFFFAOYSA-N	274.324	1.682	10	20	CDCD	
CC(=O)NCCC1=CCN(c2cc(C)ncn2)CC1	1089802550	RMGKGDULRUESFN-UHFFFAOYSA-N	260.341	1.448	10	20	CDCD	
Cc1cc(NCCc2ccc(O)c(O)c2)nc(CO)n1	1320935090	PMTQTVYQVYTGKL-UHFFFAOYSA-N	275.308	1.343	10	20	CDCD	
CC[C@H](F)C(=O)NCc1ccc(N2CCOCC2)cc1	1336304271	SHEYCIBHRMJLCH-AWEZNQCLSA-N	280.343	1.888	10	20	CDCD	
C/C=C\C[C@H](CO)NC(=O)NCc1ccc(N)cc1	1337019291	RIXCJXAFULOUES-XQJDBVBESA-N	263.341	1.395	10	20	CDCD	
O=C(NCc1ccc(N2CCCC2)cc1)C12CC(CN1)C2	1353496702	SSYVLQAELFPKSO-UHFFFAOYSA-N	285.391	1.655	10	20	CDCD	
O=C(O)[C@@H]1C[C@@H](O)CN1Cc1ccc(N2CCCC2)cc1	1602192723	LHPNAIIBWJAERT-CABCVRRESA-N	290.363	1.307	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H](C(=O)O)C1CC1	1601238150	GNUHGGNZADYXBF-ZABGRMTBSA-N	277.276	1.090	10	20	CDCD	
Cc1cc(C(=O)O)nc(NCc2c(O)cccc2O)n1	1607600152	IUJHMOCJFVHONX-UHFFFAOYSA-N	275.264	1.507	10	20	CDCD	
C[C@H](N[C@@H](C)C(C)(C)O)c1cccc(-c2nn[nH]n2)c1O	1589974060	ONEKHXUHPXSNHV-IUCAKERBSA-N	291.355	1.382	10	20	CDCD	
CCCN(C(=O)/C=C\c1ccc(O)c(O)c1)[C@@H](C)C(=O)O	1595817970	ZBGQHHURFPYTAL-BXKUYDPTSA-N	293.319	1.823	10	20	CDCD	
Cc1cccc(CN(CC(N)=O)C2CCCC2)c1O	124530830	UWHHKXNYNHNJEZ-UHFFFAOYSA-N	262.353	1.931	10	20	CDCD	
C[C@H]1C[C@@H](NC(=O)c2cccc(O)c2O)CCN1C	126500278	VQRZPFVJIZNQPR-UWVGGRQHSA-N	264.325	1.310	10	20	CDCD	
Cc1ccc(CNC[C@@H]2CCCS(=O)(=O)C2)c(O)c1	877532398	FRCZTOAOKAQKRH-LBPRGKRZSA-N	283.393	1.615	10	20	CDCD	
Nc1ccc(CC(=O)N2CCO[C@@H]3CCCC[C@H]32)cc1	37815370	GZARIOQZKJRPFU-HUUCEWRRSA-N	274.364	1.981	10	20	CDCD	
Cc1ccc(O)c([C@H](C)NCC(=O)NCC(F)F)c1	280941411	SMHYTDWMCXZXLT-VIFPVBQESA-N	272.295	1.733	10	20	CDCD	
COc1ccc(C(=O)NCc2ccccc2O)cn1	701163350	VTZFGZKABKNNFF-UHFFFAOYSA-N	258.277	1.726	10	20	CDCD	
COC[C@@H]1CCCN1Cc1cc2c(cc1O)OCO2	702873878	BCDUKYLJJFAEIL-NSHDSACASA-N	265.309	1.732	10	20	CDCD	
CC(C)[C@@H](N)CNCc1ccc(N2CCN(C)CC2)cc1	107797354	BNIDLYHYCLCHOR-KRWDZBQOSA-N	290.455	1.511	10	20	CDCD	
CC(=O)N1CC[C@@H](NC(=O)N(C)Cc2ccccc2O)C1	120799352	BEHRZHVTEVZKAV-CYBMUJFWSA-N	291.351	1.154	10	20	CDCD	
CCO[C@@H]1C[C@@H]1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	186394709	ZCVAKVSYYBJKTL-NURSFMCSSA-N	279.336	1.570	10	20	CDCD	
CCCCCN(CC(N)=O)Cc1cc2c(cc1O)OCO2	180810625	KDRJINUFYSAJBA-UHFFFAOYSA-N	294.351	1.598	10	20	CDCD	
CCCN(CC(=O)OC)Cc1cc(OC)ccc1O	183377394	JSEDZDHDZAFWQN-UHFFFAOYSA-N	267.325	1.786	10	20	CDCD	
CNC(=O)[C@@]1(C)CCN(Cc2cc3c(cc2O)OCO3)C1	227260500	HEAIWSVIXTZJML-HNNXBMFYSA-N	292.335	1.079	10	20	CDCD	
Nc1ccc(CC(=O)Nc2ccc(-n3cncn3)nc2)cc1	192770798	GICZYMRROHHEJV-UHFFFAOYSA-N	294.318	1.426	10	20	CDCD	
CC(=O)c1cc(F)cc(CN[C@H]2C(=O)NCC[C@@H]2C)c1O	193595822	OHZHRYGKFSEKJS-ISVAXAHUSA-N	294.326	1.348	10	20	CDCD	
COC(=O)[C@H]1CCCCN1Cc1cccc(OC)c1O	93441080	HLCCCICQNOSCHG-GFCCVEGCSA-N	279.336	1.928	10	20	CDCD	
Cc1cc(NS(=O)(=O)CCOC(C)C)ccc1O	148621276	IJMMBINBOOAYPA-UHFFFAOYSA-N	273.354	1.867	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)NC[C@@H](C)CCO)c1	273575655	LQZKXPYFLBJXHT-WDEREUQCSA-N	281.352	1.848	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@H]2CCc3[nH]ncc3C2)cc1	270085465	BIYDDAJAPJNFPS-ZDUSSCGKSA-N	298.390	1.897	10	20	CDCD	
COCCCn1ccc(NC(=O)c2cccc(O)c2O)n1	279390636	VVASDUPKWUJDGM-UHFFFAOYSA-N	291.307	1.583	10	20	CDCD	
COc1cc(O)c(CN[C@@H]2C[C@H]3CC[C@@H]2O3)cc1OC	271819422	MQCNPVDLQXOSED-WZRBSPASSA-N	279.336	1.819	10	20	CDCD	
CNC(=O)CCCN[C@@H](C)c1cc([N+](=O)[O-])ccc1O	273622728	ZMKMIQPNEXJCJK-VIFPVBQESA-N	281.312	1.477	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)[C@@H]1CCCC(=O)N1	270412990	RVGLZZBRJQSVOP-ZDUSSCGKSA-N	290.363	1.800	10	20	CDCD	
COC[C@H](O)CN[C@@H](C)c1c(C)cc(C)cc1O	285363796	VREGWIOTIDTWNN-NWDGAFQWSA-N	253.342	1.667	10	20	CDCD	
CC(C)n1cc(/C=C2/SC(=S)NC2=O)nn1	287035581	HKYRKHMQEYUVCQ-XVNBXDOJSA-N	254.340	1.348	10	20	CDCD	
C[C@H](NC[C@H]1CC[C@@H](CO)O1)c1ccc(N(C)C)cc1	293747628	QAQBIULHYFASLN-MAZHCROVSA-N	278.396	1.943	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)c1ocnc1C1CC1	292036772	DGFRYCKIMPNLQY-UHFFFAOYSA-N	274.276	1.893	10	20	CDCD	
C[C@@H](N[C@H]1[C@@H]2CNC[C@@H]21)c1cc(Cl)ccc1O	817977396	JFVZRMDXNUDBML-XDRUHAPNSA-N	252.745	1.914	10	20	CDCD	
C[C@@H](NC[C@H]1CNCCO1)c1cc(F)ccc1O	817984172	VRSXNSNVKIMKKC-MWLCHTKSSA-N	254.305	1.170	10	20	CDCD	
CC(C)ON1C(=O)CN(Cc2ccccc2O)C1=O	819169745	OKOYNMZLEPUZDQ-UHFFFAOYSA-N	264.281	1.496	10	20	CDCD	
CO[C@H]1COCC[C@@H]1CNCc1cc(C)ccc1O	824708044	CXDLVMAYVDHTQX-DOMZBBRYSA-N	265.353	1.842	10	20	CDCD	
CC(=O)CCn1cc(CN(C)Cc2ccccc2O)nn1	906276642	PHRVIWWEQIZOIG-UHFFFAOYSA-N	288.351	1.595	10	20	CDCD	
C[C@H](N)[C@@H](C)C(=O)NCc1c(O)ccc2c1CCCC2	830597520	MPJOGONMPVGTBD-MNOVXSKESA-N	276.380	1.871	10	20	CDCD	
C[C@@H]1C[C@@]1(C(=O)O)C(=O)NCc1ccc(N(C)C)cc1	901900979	HZMIFGGZCUFQOB-BMIGLBTASA-N	276.336	1.480	10	20	CDCD	
CC(C)[C@@H](C(=O)O)C(=O)NCCc1ccc(N)cc1	849365122	WMWQPDJPDHBNQG-GFCCVEGCSA-N	264.325	1.284	10	20	CDCD	
C[C@]1(CO)CCCN1C(=O)NCCc1ccc(N)cc1	841958687	IGLCNGRMQAVCFW-OAHLLOKOSA-N	277.368	1.368	10	20	CDCD	
N[C@@H]1CCC[C@H]2CN(Cc3cc4c(cc3O)OCO4)C[C@H]12	843059904	UGDAGKSQQOVDGJ-WCFLWFBJSA-N	290.363	1.680	10	20	CDCD	
C[C@@H](CN)CNCc1ccc(N2CCN(C)CC2)cc1	841047774	CTJUPXGXTOXQNC-AWEZNQCLSA-N	276.428	1.123	10	20	CDCD	
CNC(=O)NC1CCN(Cc2cc(Cl)ccc2O)CC1	840974790	OMVLGNFTUFUSKO-UHFFFAOYSA-N	297.786	1.939	10	20	CDCD	
COc1ccc(N(C)CCN(C)Cc2ncc[nH]2)cc1	844401750	PUTLUTJFCOPKQC-UHFFFAOYSA-N	274.368	1.987	10	20	CDCD	
O=[N+]([O-])c1cc(Cl)cc(CN[C@H]2[C@@H]3CNC[C@@H]32)c1O	841078460	RNFQVCSHXWJWHL-JZYVYDRUSA-N	283.715	1.261	10	20	CDCD	
CCNCCNC1CCN(c2ccc(OC)cc2)CC1	841034969	FMUPFIHKCBXYRC-UHFFFAOYSA-N	277.412	1.863	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N2CCC(N)CC2)cc1F	841761618	PWUBBHIDUYNKMX-UHFFFAOYSA-N	294.374	1.524	10	20	CDCD	
CN(C)CCOc1ccc(N(C)CCCN)cc1	841011680	MXIMERIMGKUIFO-UHFFFAOYSA-N	251.374	1.412	10	20	CDCD	
CCCn1nccc1C(=O)NCc1ccc(O)cc1O	910942282	AXWKDHZSGQMYEA-UHFFFAOYSA-N	275.308	1.634	10	20	CDCD	
C[C@@H]1SCCN(C(=O)C(=O)Nc2ccc(N)cc2)[C@H]1C	841041121	DSDPWWFXRYLSNH-UWVGGRQHSA-N	293.392	1.560	10	20	CDCD	
CCn1ncnc1CN[C@H](C)c1cccc(OC)c1O	846168012	PXRRTYLGAGMBPR-SNVBAGLBSA-N	276.340	1.863	10	20	CDCD	
CC[C@H](N)CNC(=O)N[C@H](C)c1cc(OC)ccc1O	842005691	JMJOSTDDWSMPPG-ZJUUUORDSA-N	281.356	1.498	10	20	CDCD	
C[C@H]1CC[C@H](C)N1Cc1cc(O)n2ncc(C(=O)O)c2n1	846257590	SJIUPKSSNJYQMT-IUCAKERBSA-N	290.323	1.506	10	20	CDCD	
Cc1ccc(C(=O)O[C@H](C)C(=O)NC2CC2)c(O)c1O	750618305	DSLCVPDWSOPXEJ-MRVPVSSYSA-N	279.292	1.230	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)c1nc(N)nc(N)n1	858450670	HHYUPQCVYBQKNH-UHFFFAOYSA-N	287.371	1.129	10	20	CDCD	
C[C@@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)C[C@]1(C)CO	856250331	IFFVNWHSALBKCY-VXVJOXDZSA-N	291.347	1.588	10	20	CDCD	
C[C@@H]1CCN(Cc2cc3c(cc2O)OCO3)C[C@H]1CO	857061740	UUAKSLZIXGZNLN-PWSUYJOCSA-N	279.336	1.571	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NOC2CCOCC2)c1	858369193	GOSKSEHDVJYHHZ-UHFFFAOYSA-N	280.324	1.610	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CCO[C@@H]1CN	852870213	BQQQJSIUTUIQMW-HUUCEWRRSA-N	291.395	1.041	10	20	CDCD	
CCN(CC)c1ccc(CNCCN2CC[C@@H](O)C2)cc1	858298049	JHNBCRCPHMQZHL-QGZVFWFLSA-N	291.439	1.689	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H](C)NC(=O)CC	935946675	LMCRLULAPKTNNF-SNVBAGLBSA-N	299.367	1.409	10	20	CDCD	
COCC[C@H](C)S(=O)(=O)N[C@H](C)c1ccccc1O	867834640	SXHCDVWMMQEBCM-WDEREUQCSA-N	287.381	1.798	10	20	CDCD	
CN(C)c1cc(F)c(CN2CCNC(=O)C2(C)C)cc1F	862238776	JQCHFZYLYLUDRI-UHFFFAOYSA-N	297.349	1.741	10	20	CDCD	
COc1cccc(CNC[C@@H](CO)Cc2ccco2)c1O	768841713	NGTFPJNTGMCOAA-LBPRGKRZSA-N	291.347	1.935	10	20	CDCD	
COc1cccc(O)c1CN1CCC[C@@H]([C@H](C)O)C1	768519560	QXBRVPPHGBBUSX-NWDGAFQWSA-N	265.353	1.994	10	20	CDCD	
COCCOCCCNC(=O)/C=C/c1ccc(O)c(O)c1	779475342	KHZNPJDCGXOAAG-GQCTYLIASA-N	295.335	1.280	10	20	CDCD	
CCC[C@@H](O)CC(=O)OCC(=O)c1ccc(O)c(O)c1	783705526	APZJVLRABWZSQS-SNVBAGLBSA-N	282.292	1.375	10	20	CDCD	
O=C(NCc1nc(C2CC2)no1)c1cccc(O)c1O	786800986	XPGMKIBEBOTDTJ-UHFFFAOYSA-N	275.264	1.288	10	20	CDCD	
Cc1ccc(O)c(CN2C[C@H](O)C[C@@]2(C)CO)c1	895332628	XBXBMGRAIFLJQR-OCCSQVGLSA-N	251.326	1.018	10	20	CDCD	
COc1ccc(CNCCC[S@](C)=O)c(O)c1OC	893005263	SDPBQNFZLLYTSM-IBGZPJMESA-N	287.381	1.268	10	20	CDCD	
COC[C@@H](CO)NCc1ccc2ccccc2c1O	894621292	VAKRAUBUNMNRLG-CYBMUJFWSA-N	261.321	1.642	10	20	CDCD	
CNC(=O)CCNCc1ccc(Br)cc1O	701055639	IMOCYXWXDAALOZ-UHFFFAOYSA-N	287.157	1.380	10	20	CDCD	
Oc1ccc(Cl)c(F)c1CN1C[C@H]2CNC[C@@H]2C1	792173203	UUEUNWFHMYCHJY-RKDXNWHRSA-N	270.735	1.836	10	20	CDCD	
CSc1n[nH]c(NC(=O)c2cccc(O)c2O)n1	790597965	HVSJQQIYGDHONG-UHFFFAOYSA-N	266.282	1.190	10	20	CDCD	
Cc1c([C@H](C)NC(=O)c2cccc(O)c2O)cnn1C	192981196	CETHTWFGWACHCM-QMMMGPOBSA-N	275.308	1.631	10	20	CDCD	
COc1ccc(CNC(=O)c2cncc(F)c2)c(O)c1	794378278	UCCPPJFFCDVFJS-UHFFFAOYSA-N	276.267	1.865	10	20	CDCD	
COc1ccc(CNC(=O)C[C@@H](C)OC)c(O)c1	794374935	ZWQPEOBGBZDYGP-SECBINFHSA-N	253.298	1.442	10	20	CDCD	
CCc1cccc(CNC[C@@H]2CN(C)CCN2C)c1O	691464830	KMSRTNFWWVUWIC-OAHLLOKOSA-N	277.412	1.290	10	20	CDCD	
C[C@H](CC(C)(C)O)NC(=O)NCc1ccc(N)cc1	1335738332	ZWGRDFKETCMLNH-SNVBAGLBSA-N	265.357	1.618	10	20	CDCD	
CCCN(CC)C(=O)C(=O)N(C)Cc1ccccc1O	1330949063	PSXVQTLQNXUGAW-UHFFFAOYSA-N	278.352	1.609	10	20	CDCD	
COc1cc(O)c(CNCc2csnn2)cc1OC	1262011383	JQVCDGVPZXAXLW-UHFFFAOYSA-N	281.337	1.551	10	20	CDCD	
COc1ccc(CNC(=O)[C@@H]2[C@@H](C)C2(F)F)c(O)c1	1346957811	NQEAVKZOTNAWGO-HQJQHLMTSA-N	271.263	1.918	10	20	CDCD	
O=C(O)c1ccc(C(=O)N2Cc3cccc(O)c3C2)o1	1608873650	WRQTUMZXKFVDST-UHFFFAOYSA-N	273.244	1.839	10	20	CDCD	
Cc1oc(C(=O)O)cc1COc1ccc(C)[n+]([O-])c1	1610579031	XGLXUFVHFZOPTJ-UHFFFAOYSA-N	263.249	1.807	10	20	CDCD	
CNC(=O)C(C)(C)CNCc1ccc2c(c1)CCO2	120202658	LIMQYHOPJONEQO-UHFFFAOYSA-N	262.353	1.483	10	20	CDCD	
COc1ccc(CN[C@H]2CNCC23CC3)c(O)c1OC	1579216320	NXEYEWLYRJAHHA-LBPRGKRZSA-N	278.352	1.251	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNc1cnn(CC(=O)O)c1	1594311029	BAVJWLUWGOXCRA-UHFFFAOYSA-N	288.351	1.954	10	20	CDCD	
CN(C)c1ccc(/C=C/CN[C@@](C)(CO)C(=O)O)cc1	1598314115	BHMROBUZDGALSB-RGDDUWESSA-N	278.352	1.191	10	20	CDCD	
Nc1ccc(CC(=O)NCCCn2ccnc2)cc1	20506024	FOCWPAZTKKRENB-UHFFFAOYSA-N	258.325	1.214	10	20	CDCD	
C[C@@H](NC(=O)c1cccc(O)c1O)c1cccnc1	126253586	VROVBWSIUZUHPE-SECBINFHSA-N	258.277	1.984	10	20	CDCD	
COc1ccc(CNCCO[C@@H]2CCOC2)cc1C	922938225	BDDXKCWVZGBJIA-CQSZACIVSA-N	265.353	1.899	10	20	CDCD	
Oc1cc2c(cc1CNCc1cccnc1)OCO2	42879503	MDNXAODWCBVNEP-UHFFFAOYSA-N	258.277	1.806	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCCN1	37807392	MBPPNAFOKVLDPT-OAHLLOKOSA-N	275.396	1.853	10	20	CDCD	
CCOc1cccc(CN[C@@H]2CCCS(=O)(=O)C2)c1O	69140513	OLVQPSSVWTUEEG-GFCCVEGCSA-N	299.392	1.458	10	20	CDCD	
CCc1cccc(CN2CC[C@H](NC(N)=O)C2)c1O	690739967	RKGNNWJELWJGAG-LBPRGKRZSA-N	263.341	1.197	10	20	CDCD	
Cc1ccc(C(=O)NC2CCOCC2)c(O)c1O	177675118	WEQVMWAPJIGCAA-UHFFFAOYSA-N	251.282	1.315	10	20	CDCD	
CCO[C@H]1C[C@H]1C(=O)N1CCOc2cc(N(C)C)ccc21	173196154	PADRBFVNTYTUPY-OCCSQVGLSA-N	290.363	1.903	10	20	CDCD	
O=C(N[C@@H](CO)Cc1ccccc1)c1cccc(O)c1O	126620079	KBRWBYJFONUXMK-GFCCVEGCSA-N	287.315	1.431	10	20	CDCD	
CCn1ccnc(N[C@H](C)Cc2ccc(O)c(O)c2)c1=O	184147668	ACRUWRVNUPDUCM-SNVBAGLBSA-N	289.335	1.718	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)CNC[C@@H]1CCCO1	237167816	ICVHSCPWBVQEPN-ZDUSSCGKSA-N	278.352	1.119	10	20	CDCD	
Nc1ccc(CC(=O)N[C@@H](C(=O)O)C2CCCCC2)cc1	40486672	OXMBUGLUJFUUDC-OAHLLOKOSA-N	290.363	1.961	10	20	CDCD	
O=C1NC(=S)NC(=O)C1=CNc1ccc(Cl)cc1F	48403004	LZZKNXQTGNRFEZ-UHFFFAOYSA-N	299.714	1.306	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CC[C@@](C)(C(N)=O)C2)c1O	232594864	NKXOUZPBPREPDO-OAHLLOKOSA-N	294.326	1.431	10	20	CDCD	
CCN(CC)c1ccc(CN2CCS(=O)(=O)CC2)cc1	93048197	HRKVMPVNJYKZIR-UHFFFAOYSA-N	296.436	1.763	10	20	CDCD	
C[C@@H](COCC(F)(F)F)NC(=O)Cc1ccc(N)cc1	269239506	WUSQGEAWGXCGCP-VIFPVBQESA-N	290.285	1.895	10	20	CDCD	
O=C(NCc1ccccc1O)c1ccnc(N2CCCC2)n1	265778197	DRELKZYSJLNRBK-UHFFFAOYSA-N	298.346	1.712	10	20	CDCD	
COc1cccc(CNC(=O)[C@@H]2CCCS2)c1O	266464733	RDYCNQYAJOFMFF-NSHDSACASA-N	267.350	1.913	10	20	CDCD	
Cc1ccc(C(=O)NC[C@H](C)C(=O)OC(C)C)c(O)c1O	271288628	PQZURIOHBPQDLN-JTQLQIEISA-N	295.335	1.724	10	20	CDCD	
COC[C@@H](CCO)N[C@H](C)c1cc([N+](=O)[O-])ccc1O	273592734	POYMDMUGFAZPOA-NXEZZACHSA-N	284.312	1.348	10	20	CDCD	
CC(=O)C(=O)COC(=O)c1ccc2ncsc2c1	808483220	GWRZLVJGBKMOIB-UHFFFAOYSA-N	263.274	1.611	10	20	CDCD	
Oc1cc2c(cc1CN1CCOCC13CC3)OCO2	802658465	CNSZMGCKQMVNRS-UHFFFAOYSA-N	263.293	1.486	10	20	CDCD	
C[C@@H]1CCNC[C@H]1NC[C@H](N)c1ccc(N(C)C)cc1	817941055	IKSXHLUOESWQSM-UHOFOFEASA-N	276.428	1.340	10	20	CDCD	
O=C1CN(Cc2ccccc2O)C(=O)N1[C@H]1CCSC1	819169268	YZVHKKISOUFOMT-NSHDSACASA-N	292.360	1.662	10	20	CDCD	
COc1ccc(CNC(=O)[C@](C)(OC)C2CC2)c(O)c1	812561198	GPWCSSIKOTZIML-OAHLLOKOSA-N	279.336	1.832	10	20	CDCD	
C[C@H]1CN(C2CC2)C[C@@H]1NCCc1ccc(N)cc1	817956430	YVAVBCKVGQKSPI-LRDDRELGSA-N	259.397	1.884	10	20	CDCD	
CC[C@H](O)CNC[C@@H]1CCN(c2ccc(OC)cc2)C1	819381210	VSVPJUBIKMBJIG-ZFWWWQNUSA-N	278.396	1.882	10	20	CDCD	
CCOc1ccc(CN(C)CCC(=O)O)c(O)c1	820387651	VWWNCJCBKWKRET-UHFFFAOYSA-N	253.298	1.697	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)COCCN)cc1	827340498	COTIGXSUDIWWOE-UHFFFAOYSA-N	279.384	1.124	10	20	CDCD	
Cc1nnc(NCc2cc(F)cc(F)c2O)n1C	902063920	MSFPTTLBDXVOHL-UHFFFAOYSA-N	254.240	1.719	10	20	CDCD	
CCNC(=O)CNCc1cc(Cl)c(C)cc1O	825417448	MNAHZGFIIZBODB-UHFFFAOYSA-N	256.733	1.580	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@H](C)n1cncn1	734406177	NOQBYWDQTCQVJM-LBPRGKRZSA-N	287.367	1.530	10	20	CDCD	
C[C@@H](N[C@@H]1COC[C@H]1O)c1cc(F)cc(F)c1O	834897132	QAOFIPSHAHVJFA-DIMCTHFVSA-N	259.252	1.081	10	20	CDCD	
O=C(N[C@@H]1CCCN(CCCO)C1)c1cc(O)cs1	833565639	KDJZSTRDHPPCNZ-SNVBAGLBSA-N	284.381	1.030	10	20	CDCD	
CCO[C@@H]1COC[C@H]1NCc1cc(F)cc(C(C)=O)c1O	832450103	BINOVCOAXGWDKI-ZIAGYGMSSA-N	297.326	1.627	10	20	CDCD	
CO[C@@H](C1CC1)[C@H](C)NC(=O)c1c(F)ccc(O)c1O	839787691	RSKKQGHICWNCTO-WPPNPWJKSA-N	283.299	1.780	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)C[C@H]2CCC(=O)N2)c1	830541038	RDJKPDFNIYVYIZ-NXEZZACHSA-N	292.335	1.247	10	20	CDCD	
C[C@H](CO)CCCNC(=O)NCCc1ccc(N)cc1	841869029	UPYGHNZIYUKNFI-LBPRGKRZSA-N	279.384	1.519	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCCNC	841916019	WQXHKSZLQQBIFA-UHFFFAOYSA-N	292.427	1.894	10	20	CDCD	
CC(=O)N(C)CC(=O)NCc1cc(Cl)ccc1O	846472681	LITWWWACJAAPLI-UHFFFAOYSA-N	270.716	1.140	10	20	CDCD	
C[C@H]1CC[C@H](C)N1C(=O)C(=O)Nc1ccc(N)cc1	841113188	QMPVHILEFZIVOY-UWVGGRQHSA-N	261.325	1.607	10	20	CDCD	
C[C@@H]1C[C@H](NC[C@@H]2CNC(=O)C2)c2c(O)ccc(F)c21	840833082	JHBLVTGJTHSOPN-KKZNHRDASA-N	278.327	1.805	10	20	CDCD	
CC[C@@H](C)C[C@H](CO)NC(=O)c1cccc(O)c1O	844032634	GKPXRDSBCBHGSF-NXEZZACHSA-N	267.325	1.625	10	20	CDCD	
O=C(NCCCSc1nccs1)c1cc(CO)on1	748038989	DTQMDYZRHRSMRP-UHFFFAOYSA-N	299.377	1.536	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCOC[C@@H]1C1CCC1	844036225	GZALLKKYQNJNIR-GFCCVEGCSA-N	277.320	1.739	10	20	CDCD	
C[C@H](N[C@@H]1CCc2c(nnn2C)C1)c1ccccc1O	848565618	YQANBCYRUVYYSU-WDEREUQCSA-N	272.352	1.729	10	20	CDCD	
Cn1cc(C[C@@H]2CCN(C(=O)c3cc(O)cs3)C2)cn1	746693306	CSKNJXHWYHFRKZ-JTQLQIEISA-N	291.376	1.892	10	20	CDCD	
COc1ccc(O)c(CNC[C@H]2CC(=O)N(C3CC3)C2)c1	846073465	VIFRVKGOYSYILM-LLVKDONJSA-N	290.363	1.501	10	20	CDCD	
O=[N+]([O-])c1ccc(O)c(CNCC2CC3(C2)OCCO3)c1	922798764	MPNOZHAPJCPETD-UHFFFAOYSA-N	294.307	1.543	10	20	CDCD	
COC[C@H]1COCCN1C(=O)Nc1ccc(N)cc1	926142030	HYSPFXKHLHZCDD-LBPRGKRZSA-N	265.313	1.148	10	20	CDCD	
C[C@@H](CCO)NCc1cc(F)c(N(C)C)cc1F	858140713	DGOADAXCQDOGDB-VIFPVBQESA-N	258.312	1.891	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H]1CCC(=O)NC1	935947462	YPIIKRILQRMJCE-JTQLQIEISA-N	297.351	1.020	10	20	CDCD	
COc1cccc(O)c1CN1CCC(CCO)CC1	768238270	YKQJNMFEVLWAGF-UHFFFAOYSA-N	265.353	1.995	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)Cc1nc[nH]n1	864634241	PTCUGEQNIHFODX-UHFFFAOYSA-N	273.340	1.072	10	20	CDCD	
COC(=O)C(C)(C)CNC(=O)N[C@H](C)c1ccccc1O	868394030	VFZFNDDNPOUXRG-SNVBAGLBSA-N	294.351	1.952	10	20	CDCD	
CC(=O)c1cc(F)cc(CN(C)C[C@@H](C)N)c1O	863565171	BCUIEKYMPNBAOL-MRVPVSSYSA-N	254.305	1.513	10	20	CDCD	
CCOC[C@H]1CN(C(=O)c2cc(O)cs2)CCO1	862957466	PLGOEAMCSUYUEK-SNVBAGLBSA-N	271.338	1.331	10	20	CDCD	
CC(C)(C)n1cnc(C(=O)Nc2ccc(N)cc2)n1	876504428	NESNVPUCEJAAMD-UHFFFAOYSA-N	259.313	1.868	10	20	CDCD	
Cc1cccc(O)c1CN1CC[S@](=O)C[C@@H](C)C1	877477451	FDNVPIMEXWXEEX-VOJFVSQTSA-N	267.394	1.901	10	20	CDCD	
COC(=O)CCCNC(=O)NCc1cc(C)ccc1O	874998594	SPUZKFFCNACFRV-UHFFFAOYSA-N	280.324	1.453	10	20	CDCD	
CC(C)CCC(=O)NCC(=O)N(C)c1ccc(N)cc1	877078493	RHYNZVJHWBKOIE-UHFFFAOYSA-N	277.368	1.784	10	20	CDCD	
COCCOC1CN(Cc2cccc(C)c2O)C1	779431652	ASWROVIEGGDYCP-UHFFFAOYSA-N	251.326	1.548	10	20	CDCD	
C[C@H](NCC(=O)N1CCC1)c1ccc(N(C)C)cc1	775836072	YHIDEMYLSGBICD-LBPRGKRZSA-N	261.369	1.636	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@H]2CNCC2(C)C)cc1F	884204786	FBPYOPOIUPTIPB-GFCCVEGCSA-N	293.386	1.754	10	20	CDCD	
COC[C@H](C)CC(=O)OCC(=O)c1ccc(O)c(O)c1	784098184	JHDRYUVMVMVLHH-SECBINFHSA-N	282.292	1.496	10	20	CDCD	
Cc1ccc(C(=O)NCCCO[C@@H]2CCOC2)c(O)c1O	780967031	OMWMWUHSKORXGG-LLVKDONJSA-N	295.335	1.332	10	20	CDCD	
COc1ccc(CNCCO[C@@H]2CCOC2)c(O)c1OC	897199841	MJJIBNMJRRPOOK-GFCCVEGCSA-N	297.351	1.305	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNCCN1CCNC1=O	895813513	FKUKIXXIOGMMNH-UHFFFAOYSA-N	276.384	1.176	10	20	CDCD	
COc1cccc(O)c1CN1CCOC[C@H](C)C1	769455001	DDVAIASVZVRHIM-LLVKDONJSA-N	251.326	1.869	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)[C@@]12CCC[C@@H]1C2	934938410	BIUUWXIRLOMCFB-IAQYHMDHSA-N	261.321	1.947	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC[C@@H]2CN(C)C(=O)O2)c1	1324266322	KKVJFEDRLAKNBZ-GXSJLCMTSA-N	280.324	1.502	10	20	CDCD	
CN(Cc1cc(F)cc(F)c1O)CC1(O)CCOCC1	1332707635	LAHPVONSONNNNN-UHFFFAOYSA-N	287.306	1.644	10	20	CDCD	
C/C=C/C[C@H](CO)NC(=O)NCc1ccc(N)cc1	1337019292	RIXCJXAFULOUES-YWVDXFKGSA-N	263.341	1.395	10	20	CDCD	
CN(C)c1ccc(CN=c2nc[nH]n2CC2CC2)cc1	1339509968	MLLIISNVQVLSIH-UHFFFAOYSA-N	271.368	1.788	10	20	CDCD	
CC[C@@H](N[C@H](C)c1cc(OC)ccc1O)C(=O)O	1603915932	WBDHNHHARBPLNK-LDYMZIIASA-N	253.298	1.915	10	20	CDCD	
O=C(O)[C@@H](CF)NCc1ccc(Br)cc1O	1601649281	IOKYQIMRPWSVAO-MRVPVSSYSA-N	292.104	1.667	10	20	CDCD	
O=C(CCN1CCSC1=O)NCc1cccc(O)c1O	1548790863	PRHJXQVOBDNRSB-UHFFFAOYSA-N	296.348	1.273	10	20	CDCD	
COCCOC1(CNCc2ccc(N)cc2)CCOCC1	1579057358	YWLOKOPOPNXEKY-UHFFFAOYSA-N	294.395	1.571	10	20	CDCD	
O=C(CCC12CC(CN1)C2)NCc1cc(O)ccc1O	1580524267	BRMLFIKTWHIOHT-UHFFFAOYSA-N	276.336	1.246	10	20	CDCD	
COCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	5097780	SENPMKXGUHEPAS-AWEZNQCLSA-N	279.384	1.118	10	20	CDCD	
COCC(C)(C)C(=O)NCc1cc(OC)ccc1O	160305185	XFBMWKNDANGDDB-UHFFFAOYSA-N	267.325	1.690	10	20	CDCD	
Cc1ccc(O)c(CN2CC[C@H](C(=O)N(C)C)C2)c1	840957129	FOGQKNVCHIYGOO-LBPRGKRZSA-N	262.353	1.611	10	20	CDCD	
CN1CCC(CNCc2cc3c(cc2O)OCO3)CC1	44517144	VYWJKCZUNIPUBF-UHFFFAOYSA-N	278.352	1.552	10	20	CDCD	
Cc1ccc(O)c(CNC[C@@]2(O)CCSC2)c1	176750806	PSFYSYVPQHFIPV-ZDUSSCGKSA-N	253.367	1.658	10	20	CDCD	
C[C@H](NC[C@@H]1CN(C)CCN1C)c1ccccc1O	68800503	MLCJIKCUKIHMPS-QWHCGFSZSA-N	263.385	1.289	10	20	CDCD	
CCCN(Cc1cc(OC)ccc1O)[C@@H]1CCNC1	71314832	OVAIDFZMECXCAT-CYBMUJFWSA-N	264.369	1.975	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)CN(C)C(C)C)c1	103529290	NRHYRDYAQWMEMS-NSHDSACASA-N	280.368	1.918	10	20	CDCD	
COCCc1noc(CN(C)Cc2ccccc2O)n1	109769763	QJSJJSKXDCUGFK-UHFFFAOYSA-N	277.324	1.596	10	20	CDCD	
CC(C)[C@H](O)CNCc1cc2c(cc1O)OCO2	116349589	ROAMIVGINLILLP-LLVKDONJSA-N	253.298	1.227	10	20	CDCD	
CN(CC(=O)NCc1cccnc1)Cc1ccccc1O	111235756	WPIGMCQVDZOJKU-UHFFFAOYSA-N	285.347	1.535	10	20	CDCD	
Cc1ccc(C(=O)N2CCO[C@@H](C)[C@@H]2C)c(O)c1O	182822073	CSCBHARSEXUQOO-UWVGGRQHSA-N	265.309	1.656	10	20	CDCD	
Cc1cc(C)c(O)c(CN(C)[C@H]2CCS(=O)(=O)C2)c1	122441784	AWYSLWNAASCJEG-ZDUSSCGKSA-N	283.393	1.628	10	20	CDCD	
COc1cc(Cl)cc(CN2CCCC[C@H]2C(N)=O)c1O	184674730	QFXUGTYDFAKLKX-NSHDSACASA-N	298.770	1.894	10	20	CDCD	
COc1ccc(N(C)CCOCCO)c(OC)c1	131770943	LFGCTBPXBADQCI-UHFFFAOYSA-N	255.314	1.149	10	20	CDCD	
Oc1ccccc1CNCc1nnnn1-c1ccccc1	134230189	NEDYFNAMGUGYQI-UHFFFAOYSA-N	281.319	1.658	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)CC(=N)O	332729146	QUHJBEMGLMJWSG-UHFFFAOYSA-N	263.297	1.403	10	20	CDCD	
C[C@H](NCc1cc([N+](=O)[O-])ccc1O)c1ncnn1C	276639820	HIXCCBICCYXWHP-QMMMGPOBSA-N	277.284	1.280	10	20	CDCD	
COc1ccc(CNC[C@@H](CO)[C@H]2CCOC2)cc1C	280249342	ITDGDKVHLLSVQL-GJZGRUSLSA-N	279.380	1.738	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NCCCOC(F)F	801524558	KDJAXNCKFAGRRI-HWKANZROSA-N	287.262	1.857	10	20	CDCD	
CC[C@H]1CN(C(=O)c2c(F)ccc(O)c2O)C[C@@H](C)O1	295357324	VVFNAMVJRWBGOV-BDAKNGLRSA-N	283.299	1.876	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H](C)n1cncn1	819756378	VOKGLZZCMSWDLZ-SNVBAGLBSA-N	295.339	1.347	10	20	CDCD	
CCNCCCN[C@@H](C)c1cc([N+](=O)[O-])ccc1O	817942645	BUHCPHWBGUBNSV-JTQLQIEISA-N	267.329	1.951	10	20	CDCD	
COC(=O)CC1CC(NCc2cccc(OC)c2O)C1	822481839	VIDSXHJNYXGSMR-UHFFFAOYSA-N	279.336	1.832	10	20	CDCD	
NC(=O)CN1C(=O)/C(=C\c2ccccc2F)SC1=S	727176935	UABRFOOJIUAHDC-WEVVVXLNSA-N	296.348	1.512	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@]2(C)CCNC2=O)c1	821065089	KUTAQQIFXSSXJC-BJOHPYRUSA-N	292.335	1.104	10	20	CDCD	
CCO[C@@H]1COC[C@H]1NCc1cc(Cl)ccc1O	825196275	BJSILIRCIRENJS-DGCLKSJQSA-N	271.744	1.939	10	20	CDCD	
NC(=O)[C@@H]1CCCC[C@H]1NC(=O)c1cc(O)cs1	829689734	YPCFBDMAMHHPNL-RKDXNWHRSA-N	268.338	1.228	10	20	CDCD	
O=C(NCCNc1ncccn1)c1cc(O)cs1	731870975	BHSUXRNHCXACGT-UHFFFAOYSA-N	264.310	1.086	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2C[C@H]3CCN(C)[C@H]3C2)c1O	831724073	STFJJZHNOKXBFR-ABAIWWIYSA-N	292.354	1.870	10	20	CDCD	
CN(C)c1ccc([C@H](N)CNC(=O)[C@H]2CCCCO2)cc1	832284583	KUKSVHQXKDEVFR-HUUCEWRRSA-N	291.395	1.438	10	20	CDCD	
COc1cc(C)cc(CN2CCCC[C@H]2C(N)=O)c1O	915830839	VCCWZZSWECSESU-LBPRGKRZSA-N	278.352	1.549	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNCCN1CCOC[C@H]1C	840937480	UWBUQNIJHYUJOZ-OAHLLOKOSA-N	291.439	1.871	10	20	CDCD	
CC[C@@H](SC)C(=O)NCc1ccc(O)cc1O	910948792	AKZQETDLBNTWGQ-LLVKDONJSA-N	255.339	1.856	10	20	CDCD	
C[C@H]1NCCN(C(=O)NCCc2ccc(N)cc2)[C@@H]1C	841955935	RSYKSYPEZCAJTK-VXGBXAGGSA-N	276.384	1.203	10	20	CDCD	
CS/C=C/C(=O)NC[C@H](N)c1ccc(N(C)C)cc1	843297353	HLYPPTNVPCPTOK-XEHSLEBBSA-N	279.409	1.745	10	20	CDCD	
CCc1cccc(CN2CCC3(C2)OCCO3)c1O	848884706	FHCOKCHVOYGWDL-UHFFFAOYSA-N	263.337	1.903	10	20	CDCD	
Cc1cc(O)c(CN(C)CCN2CCNCC2)cc1C	843052980	RWWFBXQWWHZSNA-UHFFFAOYSA-N	277.412	1.346	10	20	CDCD	
COc1ccc(O)c(CN[C@H](C)[C@H]2CCCNC2)c1	841034864	XUQAJXLHJCXSNQ-NEPJUHHUSA-N	264.369	1.879	10	20	CDCD	
CCN1CC(=O)N[C@H]1c1cc(Cl)c(C)cc1O	849182512	JJYBSGFLAZIZPO-GFCCVEGCSA-N	254.717	1.804	10	20	CDCD	
COc1cccc([C@@H](C)NCCC2(O)CCOCC2)c1O	846169447	DPKYJKLEIMSUKS-GFCCVEGCSA-N	295.379	1.983	10	20	CDCD	
COCC(=O)N1CC[C@H](NCc2ccc(OC)c(C)c2)C1	1018375988	CMYKSZGAICJXOP-AWEZNQCLSA-N	292.379	1.341	10	20	CDCD	
C[C@H](CCO)NCc1cc(F)c(N(C)C)cc1F	858140712	DGOADAXCQDOGDB-SECBINFHSA-N	258.312	1.891	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@H](C(=O)O)C2CC2)cc1F	852945980	LDEOUZLJUQFMPJ-CYBMUJFWSA-N	294.326	1.619	10	20	CDCD	
C[C@@H](C[C@@H](C)N)NCc1ccc(N2CCC(O)CC2)cc1	854230369	NYGQKAKHVDGFQE-KGLIPLIRSA-N	291.439	1.863	10	20	CDCD	
CCN(CC)c1ccc(CN(C)C[C@H](O)[C@H](C)O)cc1	929185736	YEOXZYPRYBLPHX-BBRMVZONSA-N	280.412	1.706	10	20	CDCD	
CCC[C@H](C)NC(=O)[C@@H](C)OC(=O)c1cccc(O)c1O	758562424	RGBGEHZMLGMVOM-VHSXEESVSA-N	295.335	1.948	10	20	CDCD	
C[C@@H](NS(=O)(=O)Cc1ccon1)c1ccccc1O	867834444	OMEXKLMYQVSVPS-SECBINFHSA-N	282.321	1.561	10	20	CDCD	
COC/C=C/C(=O)NCc1cc(OC)ccc1O	866766179	LHVOKQUSLMOGNO-ONEGZZNKSA-N	251.282	1.220	10	20	CDCD	
COc1cccc([C@@H](O)C(=O)NCc2ccccc2O)c1	765178861	UBUIOSZOBHEHFA-OAHLLOKOSA-N	287.315	1.751	10	20	CDCD	
O=C(NCc1ccccc1O)c1cccc(-n2cnnn2)c1	769362878	LKQFNIITMDNNAM-UHFFFAOYSA-N	295.302	1.298	10	20	CDCD	
C[C@H](O)CCc1cn(Cc2ccc(N(C)C)cc2)nn1	881271094	GUJUCJDQIYWUSM-LBPRGKRZSA-N	274.368	1.706	10	20	CDCD	
COc1cc(C)cc([C@@H]2NC(=O)[C@@H]3C[C@H](C)CCN32)c1O	887329622	KZANCNPKVDOWDS-MURWCNHISA-N	290.363	1.938	10	20	CDCD	
CO[C@H](C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	891254954	KUMTWZRNRZJUSZ-DOMZBBRYSA-N	293.411	1.506	10	20	CDCD	
CN(Cc1nc[nH]n1)Cc1c(O)ccc(Cl)c1F	792166494	RXIYQDODRZPRED-UHFFFAOYSA-N	270.695	1.935	10	20	CDCD	
COc1ccc(CNC(=O)NCc2cc(C)no2)c(O)c1	792888485	WWXYNWFZOGHQLW-UHFFFAOYSA-N	291.307	1.697	10	20	CDCD	
C[C@@H](NCc1cc(F)cc(F)c1O)C1(CO)CC1	708495192	TWWRYDUSIIAJTN-MRVPVSSYSA-N	257.280	1.921	10	20	CDCD	
CC(C)(C)C[C@H](O)CNC(=O)c1cccc(O)c1O	192878192	YYBQOCKYGSUBMG-VIFPVBQESA-N	267.325	1.625	10	20	CDCD	
CN(C)C(=O)CCCOC(=O)/C=C\c1ccc(O)c(O)c1	795485189	ALNPNXPKGFXZFN-VURMDHGXSA-N	293.319	1.523	10	20	CDCD	
C[C@H]1CN(C(=O)NCc2ccc(N)cc2)[C@H](C)CO1	1338793446	PMXPRIGMWNDZMK-MNOVXSKESA-N	263.341	1.588	10	20	CDCD	
C[C@H]1Cc2c[nH]nc2[C@@H](C(=O)NCc2ccc(N)cc2)C1	1342020900	KSBNGWJUXOUYPN-HZMBPMFUSA-N	284.363	1.974	10	20	CDCD	
Cc1cccc(CNC2(CC(=O)O)CCOCC2)c1O	1600531908	BBAMKJIZPYTLRN-UHFFFAOYSA-N	279.336	1.814	10	20	CDCD	
C[C@@H]1CN(Cc2cc3c(cc2O)CCC3)C[C@@H](C(=O)O)O1	1607437864	LIVXXFZHMPULBT-BMIGLBTASA-N	291.347	1.555	10	20	CDCD	
C[C@@H](C(=O)NCc1cccc(O)c1O)c1ccnn1C	1548791569	VVWPGEKYUUIZRF-SECBINFHSA-N	275.308	1.251	10	20	CDCD	
Cc1cccc(CN2CCC[C@H](O)[C@@H]2C(=O)O)c1O	1610522144	SMHWOUKEGXLYKO-NWDGAFQWSA-N	265.309	1.111	10	20	CDCD	
NC[C@@]12CC[C@H]1CCN2Cc1ccc(F)c(F)c1O	1580253404	LZKLHYRQYAQKSM-HZMBPMFUSA-N	268.307	1.984	10	20	CDCD	
C[C@@H](NC[C@@H](C)N(C)C)c1cccc(-c2nn[nH]n2)c1O	1589956834	DQTHWYVJNBNNID-NXEZZACHSA-N	290.371	1.173	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)CCCCC(=O)O)c1	1594373146	DSRSBHNRQFOKOX-UHFFFAOYSA-N	265.309	1.962	10	20	CDCD	
C[C@H](Sc1ncc(C(=O)O)s1)c1nncn1C	1593678598	UGCAJIBJRAAKNL-YFKPBYRVSA-N	270.339	1.823	10	20	CDCD	
CC[C@H](N[C@@H](C)c1cc(C(=O)O)ccc1O)[C@H](C)O	1595278879	KRVCWBPGJVDGOI-AUTRQRHGSA-N	267.325	1.900	10	20	CDCD	
C[C@H](Oc1cccnc1)C(=O)NCCc1ccc(N)cc1	152561185	CRHKEHCWGMBFSB-LBPRGKRZSA-N	285.347	1.790	10	20	CDCD	
Cc1cccnc1CNC(=O)c1cccc(O)c1O	126409374	YPPVWXLSYYIRSK-UHFFFAOYSA-N	258.277	1.731	10	20	CDCD	
Nc1ccc(NC(=O)N[C@H](CO)C[C@H]2CCCO2)cc1	886961914	ZYZQAEQDIXFARZ-QWHCGFSZSA-N	279.340	1.320	10	20	CDCD	
COc1cccc(CNC[C@H]2CCCOC2)c1O	38044057	HEVXQJRPADQNJI-LLVKDONJSA-N	251.326	1.917	10	20	CDCD	
C[C@@H](CN1CCCCC1)NC(=O)Cc1ccc(N)cc1	36999063	MMYPBESJYUENAF-ZDUSSCGKSA-N	275.396	1.802	10	20	CDCD	
C[C@H](Cn1ccnc1)NCc1ccc2c(c1)CCO2	37363573	IRYZOXRVOFPCAY-GFCCVEGCSA-N	257.337	1.996	10	20	CDCD	
CNC(=O)C(C)(C)CN[C@H](C)c1cc(F)ccc1O	186224135	BMWVUPAEVMLQPD-SECBINFHSA-N	268.332	1.954	10	20	CDCD	
NC(=O)C[C@@H]1CCN(Cc2cc(Cl)ccc2O)C1	368134750	NFRMSMLRQOBLEN-VIFPVBQESA-N	268.744	1.743	10	20	CDCD	
CCc1cccc(CN(C)CC(=O)NC(C)C)c1O	692086544	NZQFELCQQYLFRH-UHFFFAOYSA-N	264.369	1.911	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)[C@@]2(F)CCNC2)cc1	178712785	GKWVDQVCCSHJSI-MRXNPFEDSA-N	293.386	1.851	10	20	CDCD	
CCCNC(=O)CN[C@H](C)c1ccc(F)cc1O	62745915	LTJAKRMAIJNQGO-SECBINFHSA-N	254.305	1.708	10	20	CDCD	
Cc1ccc([C@@H](C)NCCCOCCO)c(O)c1	186514394	SGPBIJLYYDAHNI-GFCCVEGCSA-N	253.342	1.750	10	20	CDCD	
CCCOc1ccc(CNCC(=O)N(C)CC)c(O)c1	185183551	IGAGYXWSIQAYPM-UHFFFAOYSA-N	280.368	1.749	10	20	CDCD	
CC[C@@H]1C(=O)NCCN1Cc1cc(F)ccc1O	180068348	RJOXGNHCYIDKGZ-LLVKDONJSA-N	252.289	1.242	10	20	CDCD	
COc1cccc(CNC(=O)NCc2cccn2C)c1O	74923515	FZWHCMPODKVPHV-UHFFFAOYSA-N	289.335	1.739	10	20	CDCD	
C[C@H]1CCNC(=O)[C@H]1NCc1cc(F)ccc1O	195007513	VAZFAXBPTPCLLY-UFBFGSQYSA-N	252.289	1.146	10	20	CDCD	
C[C@@H](NCCNC(=O)C1CC1)c1ccc(F)c(F)c1O	191184556	JYXVXSGQEWETEV-MRVPVSSYSA-N	284.306	1.847	10	20	CDCD	
CCCOc1ccc(CN2CC[C@@](C)(C(N)=O)C2)c(O)c1	233250839	NIWGFCYUJIOZLU-MRXNPFEDSA-N	292.379	1.878	10	20	CDCD	
C[C@@H](NC[C@H](O)C1CCOCC1)c1ccccc1O	272900308	UYLMZRSTROEWSA-ABAIWWIYSA-N	265.353	1.830	10	20	CDCD	
CCOc1ccc(O)c(CN2C[C@H](O)[C@H](CC)C2)c1	271377498	RBOIQEVTBPTTIP-ABAIWWIYSA-N	265.353	1.994	10	20	CDCD	
C[C@H](N)CCC(=O)NCc1ccc(N2CCOCC2)cc1	277466300	JIIFAOWCPQBHPE-ZDUSSCGKSA-N	291.395	1.267	10	20	CDCD	
CCOc1ccc(O)c(CN(CC)CCOCCO)c1	282778310	QBXDLMRILDWSLC-UHFFFAOYSA-N	283.368	1.622	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)c1cnn(C)n1	285259803	LZIWBWIYDVZLPZ-UHFFFAOYSA-N	274.324	1.573	10	20	CDCD	
COC(=O)[C@H]1C[C@@H](O)CN1Cc1ccc(N(C)C)c(C)c1	294400314	CLEBYDKBQIHSJW-UKRRQHHQSA-N	292.379	1.169	10	20	CDCD	
Cc1cc(CNC(=O)/C=C/c2ccc(O)c(O)c2)n(C)n1	803457535	NQXBGGCSSACOQT-GQCTYLIASA-N	287.319	1.469	10	20	CDCD	
C[C@@H]1CN(C(=O)c2cccc(O)c2O)CCN(C2CC2)C1	295479724	ZAAFYIMDERIYCV-NSHDSACASA-N	290.363	1.654	10	20	CDCD	
C[C@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2O)CC(=O)N1	294968954	IUMSXTCEKHMNBN-ZETCQYMHSA-N	299.714	1.274	10	20	CDCD	
CC1(C)[C@H]2CN(C(=O)c3c(F)ccc(O)c3O)C[C@H]21	294773513	AIGQGFUUMPUXFI-OCAPTIKFSA-N	265.284	1.965	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H](O)C(C)C)c1	813488887	IEWNDOYCTVJVFL-ZANVPECISA-N	267.325	1.595	10	20	CDCD	
COc1cccc(O)c1CN1CCC[C@@H](O)CC1	816667756	VXRXEFUOLXOOAF-LLVKDONJSA-N	251.326	1.748	10	20	CDCD	
COc1cc(O)c(CN2CC3(CCOC3)C2)cc1OC	816670195	OARYXWOCCGBNQM-UHFFFAOYSA-N	279.336	1.632	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@@]1(C)CCNC1=O	820041684	QFGDRQIXXXUQLC-INIZCTEOSA-N	289.379	1.203	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)CC2(N)CCC2)c1	828667665	SXVWGMCFNRLKFI-SNVBAGLBSA-N	278.352	1.850	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2cnc(C)[nH]2)c1	732286872	JOVARKHKZGYOGR-MRVPVSSYSA-N	275.308	1.923	10	20	CDCD	
CCC[C@]1(C)C(=O)NCCN1C(=O)c1cc(O)cs1	832720882	IVNSTNDVFZVVMK-CYBMUJFWSA-N	282.365	1.585	10	20	CDCD	
COCC(COC)NC(=O)N(C)Cc1ccccc1O	838677563	PBYRJAJZTBKFTN-UHFFFAOYSA-N	282.340	1.195	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1	839649030	CVMLQCACRLTVGY-WHGOUJPWSA-N	280.280	1.243	10	20	CDCD	
CO[C@](C)(C(=O)NCc1ccc(O)cc1O)C1CC1	910943465	DFJLFTNKOKPBFC-AWEZNQCLSA-N	265.309	1.529	10	20	CDCD	
CCOC(=O)[C@H](CC)C(=O)NCc1ccc(O)c(O)c1	840402892	PIPXIWZZOZQHSV-SNVBAGLBSA-N	281.308	1.303	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)[C@H]1CCc2nccn2C1	910945021	SLRAELPBLBLHRH-NSHDSACASA-N	287.319	1.173	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNC2CCC(N)CC2)c1O	843105071	PWBMQTACWOLXGB-UHFFFAOYSA-N	295.339	1.669	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N2CCC[C@H](CN)C2)cc1	841653169	HOKHPWJWCYLQHQ-CQSZACIVSA-N	290.411	1.633	10	20	CDCD	
COc1ccc(N(C)CCN(C)CC[S@](C)=O)cc1	844401845	NRDXSBTYFNYKMM-IBGZPJMESA-N	284.425	1.442	10	20	CDCD	
CCOc1ccc(CN(C)C2CCNCC2)c(O)c1	843044648	DLQUESSRLYGDET-UHFFFAOYSA-N	264.369	1.975	10	20	CDCD	
COCCONC(=O)NCc1cc(C)ccc1O	858408160	QYBVETMJYHLSNW-UHFFFAOYSA-N	254.286	1.078	10	20	CDCD	
O=C(NCCO[C@@H]1CCCCO1)c1cccc(O)c1O	854552437	TYVRHXFXVMFUOK-GFCCVEGCSA-N	281.308	1.371	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@H](C)C2(CO)CC2)c1	850517500	VMKWGVOZXYWAQR-WDEREUQCSA-N	293.363	1.990	10	20	CDCD	
COc1ccc(O)c(CNC(=O)CCc2cc(C)on2)c1	934942316	MCKNLDZROUIJRB-UHFFFAOYSA-N	290.319	1.946	10	20	CDCD	
C[C@@H](CCS(C)(=O)=O)NC(=O)c1cc(O)cs1	762579834	WBMHOJAYCJCVCP-ZETCQYMHSA-N	277.367	1.007	10	20	CDCD	
COCC[C@@]1(NCc2ccccc2O)CCOC1	775032772	KDGVFVLAXUCOLN-CQSZACIVSA-N	251.326	1.677	10	20	CDCD	
Cc1ccc(C(=O)NCCOC(F)(F)F)c(O)c1O	789857980	WGYNVTRIQXBVQY-UHFFFAOYSA-N	279.214	1.672	10	20	CDCD	
C[C@@H]1C[C@H](O)CN1C(=O)/C=C\c1ccc(O)c(O)c1	788550713	SGPBAIJMICUMFA-PMEPJVLUSA-N	263.293	1.093	10	20	CDCD	
C[C@H]1CN(Cc2cccc(Br)c2O)C[C@@H]1O	897684352	NERHQUKFCTYCMM-KWQFWETISA-N	286.169	1.967	10	20	CDCD	
NC(=O)c1ccc(NC(=O)c2c(F)ccc(O)c2O)cc1	789940414	YQCYOIHGKPCPRP-UHFFFAOYSA-N	290.250	1.588	10	20	CDCD	
COc1ccc(CN2CCC[C@](C)(O)C2)c(O)c1OC	892091971	QKOKSMIABLHFBI-HNNXBMFYSA-N	281.352	1.756	10	20	CDCD	
COc1ccc(CNCC(C)(C)O)c(O)c1OC	892951125	MUEQQPXYMBKNLI-UHFFFAOYSA-N	255.314	1.270	10	20	CDCD	
OCC(F)(F)CNCc1c(O)cccc1Br	706863326	CXIQPOWHVSLAOK-UHFFFAOYSA-N	296.111	1.872	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)N1CCC1	795772161	BFJKEQYTTNCGAQ-UHFFFAOYSA-N	297.424	1.525	10	20	CDCD	
O=C(NCC[C@H]1CCCC[C@H]1O)c1cccc(O)c1O	887552326	UFIHPKJGTJWAME-ZYHUDNBSSA-N	279.336	1.769	10	20	CDCD	
CN(C)C1(CNCc2cc3c(cc2O)OCO3)CCC1	97928235	OUHLAVZSEBGPOV-UHFFFAOYSA-N	278.352	1.695	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)C[C@H]2C=CS(=O)(=O)C2)c1	1348479181	RCBGWEQHKUONNY-LLVKDONJSA-N	295.360	1.265	10	20	CDCD	
Cn1ccc(C(=O)Nc2c(Cl)ccc3nonc23)n1	1342949231	ACWPEWVJXWABOE-UHFFFAOYSA-N	277.671	1.862	10	20	CDCD	
O=C(O)[C@@H](NCc1ccc2c(c1)CCCO2)[C@@H]1CCOC1	1355405180	IIJGCNBOYWUTSE-HIFRSBDPSA-N	291.347	1.591	10	20	CDCD	
Cc1ccc(O)c([C@@H](C)NCCn2cc(C(=O)O)nn2)c1	1607811070	IBGREUPIJNPPBZ-SNVBAGLBSA-N	290.323	1.341	10	20	CDCD	
Nc1ccc(CC(=O)NCCOC2CCCC2)cc1	111633459	LZMJRLPFQYMEBQ-UHFFFAOYSA-N	262.353	1.887	10	20	CDCD	
COCc1nccc(Sc2ncc(C(=O)O)s2)n1	1606980900	VEUPBAYLZFDKEQ-UHFFFAOYSA-N	283.334	1.929	10	20	CDCD	
Cc1ccc(O)c(CNc2ccc(-c3nn[nH]n3)nn2)c1	1605875830	POQRLWJYDGXULH-UHFFFAOYSA-N	283.295	1.283	10	20	CDCD	
CC1(C)[C@@H]2NCCC[C@@H]2[C@H]1NC(=O)c1cccc(O)c1O	1576384291	PQCDXZGRZDPKSR-ZLKJLUDKSA-N	290.363	1.604	10	20	CDCD	
COC[C@](C)(CC(=O)O)NCc1cc([N+](=O)[O-])ccc1O	1777178078	SOHHPOAPLOMCJX-ZDUSSCGKSA-N	298.295	1.270	10	20	CDCD	
O=C1NCCN1CCNCc1ccc2c(c1)CCCO2	922337455	DEOSCLVBJHGFHA-UHFFFAOYSA-N	275.352	1.126	10	20	CDCD	
CN(C)CCCNCc1ccc(N2CCOCC2)cc1	20091797	GHAYIJRCGMJSBW-UHFFFAOYSA-N	277.412	1.565	10	20	CDCD	
C[C@@H](NCC1(O)CCN(C)CC1)c1ccccc1O	272841994	JUPHFHAMVWEFBU-GFCCVEGCSA-N	264.369	1.500	10	20	CDCD	
Nc1ccc(CN2CCSC[C@@H]2CCO)cc1	689700271	ZJQAKEXVTCFTDA-ZDUSSCGKSA-N	252.383	1.569	10	20	CDCD	
CN(C)c1ccc(CN(C)S(=O)(=O)c2ncc[nH]2)cc1	380552992	PRCPTSHHIHJOFA-UHFFFAOYSA-N	294.380	1.296	10	20	CDCD	
COc1cccc(CNC(=O)CNC(=O)C(C)(C)C)c1O	105652651	LQGIUASLWJMZCZ-UHFFFAOYSA-N	294.351	1.179	10	20	CDCD	
O=[N+]([O-])c1ccc(O)c(CN[C@H]2CCCC[C@@H]2O)c1	116343457	VNZOAQOYFGQJNV-AAEUAGOBSA-N	266.297	1.694	10	20	CDCD	
Cc1ccc(C(=O)NCc2cnn(C)c2)c(O)c1O	179449832	YGUJGXRAWRFJDC-UHFFFAOYSA-N	261.281	1.070	10	20	CDCD	
COCCO[C@@H]1CCN(Cc2cc(OC)c(C)cc2O)C1	188909910	POEJHGCEALBASG-CQSZACIVSA-N	295.379	1.947	10	20	CDCD	
C[C@@H]1C(=O)NCCN1Cc1cc(Cl)cc([N+](=O)[O-])c1O	123431851	LYHNKHYXBKZEQA-SSDOTTSWSA-N	299.714	1.274	10	20	CDCD	
COC(=O)[C@@]1(C)CCN(Cc2cc(OC)ccc2O)C1	180567599	VNNFNUQIAXOWTP-HNNXBMFYSA-N	279.336	1.786	10	20	CDCD	
COc1ccc(N(C)C[C@H](O)CSC)cc1F	187940343	KMKSCFYIDNZZQZ-JTQLQIEISA-N	259.346	1.994	10	20	CDCD	
Cc1ccc(C(=O)N2CCC[C@@H]2C[C@H](C)O)c(O)c1O	182894007	AHNBTKFYPLFCAL-WDEREUQCSA-N	279.336	1.782	10	20	CDCD	
CCOC(=O)NCC(=O)N(C)Cc1ccc(N(C)C)cc1	42388300	OHZLGLKAFCLDRN-UHFFFAOYSA-N	293.367	1.457	10	20	CDCD	
CC(=O)N(C)CC(=O)N(C)Cc1ccc(N(C)C)cc1	46042494	HYUZBFWAKTUYPF-UHFFFAOYSA-N	277.368	1.189	10	20	CDCD	
CC(C)Oc1ccc(N(C)CC(=O)N2CCNC2=O)cc1	191591752	FATSQVWLEZHVEL-UHFFFAOYSA-N	291.351	1.462	10	20	CDCD	
COc1cc(C)cc(CN2CCO[C@H](C)C2)c1O	192596838	ATJQHQLQJYRZFI-LLVKDONJSA-N	251.326	1.930	10	20	CDCD	
CC(C)[C@H](N)C(=O)NCc1ccc(N2CCOCC2)cc1	236768462	RSRFFAMNJPOMNL-HNNXBMFYSA-N	291.395	1.123	10	20	CDCD	
CCc1nn(C)cc1C(=O)NCc1cc(OC)ccc1O	92516082	HTHQEPAQXZUCHJ-UHFFFAOYSA-N	289.335	1.627	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)c1n[nH]c2ccccc12	98076899	PENQFUHCFNPELV-UHFFFAOYSA-N	297.314	1.947	10	20	CDCD	
CC[C@H](O)CN1CCN(c2ccc(OC)c(F)c2)CC1	267960195	XVMOBXAFZVQXNH-ZDUSSCGKSA-N	282.359	1.727	10	20	CDCD	
O=C(NCc1ccc(N2CCCC2)cc1)c1nc[nH]n1	269490688	XSBQYZDQFKFUGB-UHFFFAOYSA-N	271.324	1.335	10	20	CDCD	
COc1cc(O)c(CN[C@@H]2C[C@H]3CC[C@H]2NC3)cc1OC	530246380	NLVCUYUUGLREFN-RAIGVLPGSA-N	292.379	1.640	10	20	CDCD	
CC[C@H]1CC[C@@H](C(=O)NCc2ccc(O)c(O)c2)O1	272267160	COUCSRBSFHNXOS-GWCFXTLKSA-N	265.309	1.672	10	20	CDCD	
COC(=O)[C@@H](NCc1cc(OC)ccc1O)C1CC1	276469197	MOAFEFDRCUTJFJ-ZDUSSCGKSA-N	265.309	1.442	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNCC(C)(C)O)c1O	278536086	WDZFUNRWUJQGAE-UHFFFAOYSA-N	270.285	1.170	10	20	CDCD	
C[C@@H](NC[C@@H]1CCOC1)c1cc([N+](=O)[O-])ccc1O	273302230	BPIIGPYEOCGTPL-ZJUUUORDSA-N	266.297	1.988	10	20	CDCD	
O=C(C[C@H]1CCCC[C@@H]1O)NCc1ccccc1O	283462881	OPDHALRCDREPTG-YPMHNXCESA-N	263.337	1.950	10	20	CDCD	
CN(C)c1ccc(CN(C(=O)c2cnnn2C)C2CC2)cc1	281338095	WFDTWETUUCFNNC-UHFFFAOYSA-N	299.378	1.686	10	20	CDCD	
O=C(OCCCN1CCCC1)c1cccc(O)c1O	800203295	KYSRECNIQICLLC-UHFFFAOYSA-N	265.309	1.741	10	20	CDCD	
CO[C@H]1CCN(C(=O)c2c(F)ccc(O)c2O)C1	295124774	HKUAGVRINPJZDA-ZETCQYMHSA-N	255.245	1.098	10	20	CDCD	
COc1cccc(CNC(=O)C[C@@H](C)n2cccn2)c1O	819399174	SCQHGHDBBAOSQL-LLVKDONJSA-N	289.335	1.865	10	20	CDCD	
C[C@H](NCCc1ccc(N)cc1)c1c[nH]ccc1=N	817957073	IHHATKFPBDVEFD-NSHDSACASA-N	256.353	1.970	10	20	CDCD	
COCCOc1ccccc1NC[C@@H](O)CSC	819425897	JDFMKBBIFKTWRN-LLVKDONJSA-N	271.382	1.848	10	20	CDCD	
CC[C@@H]1OCC[C@H]1NC(=O)NCc1cc(OC)ccc1O	838474251	HTBNENYVYNHUJL-OCCSQVGLSA-N	294.351	1.768	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)CN1C(=O)[C@H]2C=C[C@H]1C2	742144700	AFXYCLJMOSZPSQ-HOCLYGCPSA-N	285.391	1.929	10	20	CDCD	
CCOC(=O)[C@H](CC)C(=O)NCc1ccc(OC)cc1O	839747182	FMVUCSUUNAPGSO-GFCCVEGCSA-N	295.335	1.606	10	20	CDCD	
CNC(=O)CCCNCc1ccc(N(C)C)cc1C	840933462	OKMLKTAMCAGASH-UHFFFAOYSA-N	263.385	1.677	10	20	CDCD	
CCc1cccc(CN2CCC(O)(COC)CC2)c1O	848886871	JSUGAPNMZALSLB-UHFFFAOYSA-N	279.380	1.928	10	20	CDCD	
NCC[C@H](NCc1ccc2c(c1)CCO2)C(F)(F)F	841090212	GXIRIYGUFFUWPF-LBPRGKRZSA-N	274.286	1.991	10	20	CDCD	
CNCCCN(C)Cc1ccc([N+](=O)[O-])c(OC)c1O	841105059	YMKYXMSUAFJTFA-UHFFFAOYSA-N	283.328	1.350	10	20	CDCD	
O=C(CCc1nc[nH]n1)NCc1cc(Cl)ccc1O	846475810	JYUZCHSEIGQGMQ-UHFFFAOYSA-N	280.715	1.413	10	20	CDCD	
C[C@H](N)CCNC(=O)NCc1ccc2c(c1)CCCN2C	841758830	KHDBUQSZUZDOEN-LBPRGKRZSA-N	290.411	1.606	10	20	CDCD	
COc1cc(O)c(CN(C)[C@H]2CCNC2)cc1OC	843049721	TWEFRJQUDJUWMK-NSHDSACASA-N	266.341	1.203	10	20	CDCD	
COC/C=C/C(=O)N(C)CCN(C)c1ccc(OC)cc1	846441860	FDLRKLGHJHMOQL-AATRIKPKSA-N	292.379	1.792	10	20	CDCD	
COc1cccc(O)c1CN[C@H](CO)CC(F)(F)F	1331961664	YMYODRLDLMPCPG-QMMMGPOBSA-N	279.258	1.804	10	20	CDCD	
C[S@](=O)[C@H]1CCC[C@H](NC(=O)c2cccc(O)c2O)C1	857309007	NWXYKDGWWLZCHA-VUPYVKPUSA-N	297.376	1.517	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNS(=O)(=O)CCCF	750164677	WNAVCBDTHXTBQW-UHFFFAOYSA-N	288.388	1.840	10	20	CDCD	
O=C(O)CC1(C(=O)NCc2ccccc2O)CCOCC1	852942673	LQXAEMVBTMJAMC-UHFFFAOYSA-N	293.319	1.280	10	20	CDCD	
COc1cc(CNC(CO)CO)c(O)c(C(C)(C)C)c1	850159517	GKEVHDGYZINBOZ-UHFFFAOYSA-N	283.368	1.141	10	20	CDCD	
CC[C@@H](O)CN[C@H](C)c1cc(C(=O)OC)ccc1O	850529166	NQHCZLZONIBVQU-MWLCHTKSSA-N	267.325	1.600	10	20	CDCD	
CN(C)[C@H]1CCCN(Cc2cc3c(cc2O)OC[C@H]3O)C1	768447066	QRCNXUNZDWQDFV-SWLSCSKDSA-N	292.379	1.344	10	20	CDCD	
COCC1(NCc2cc([N+](=O)[O-])ccc2O)CC1	765268661	ALXWUYKSVOBYGV-UHFFFAOYSA-N	252.270	1.569	10	20	CDCD	
CCN(Cc1cc2c(cc1O)OC[C@@H]2O)C[C@H]1CCCO1	768441722	GYOTXGOUFBNGBZ-DOMZBBRYSA-N	293.363	1.819	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@H]2C[C@H]3CC(=O)[C@@H]2C3)c1	862755333	RKDOOJMEKIDCNN-UHTWSYAYSA-N	273.332	1.932	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@@H](C)NC(=O)C(C)(C)C)c1	862759758	KRKFJFZPNVZQJX-LLVKDONJSA-N	292.379	1.868	10	20	CDCD	
C[C@H]1C[C@H](C(=O)NCCc2ccc(O)c(O)c2)CCC1=O	764849354	QHCLXVPYDXXWFM-CMPLNLGQSA-N	291.347	1.762	10	20	CDCD	
Cc1ccc(CNC[C@H](O)CN2CCCC2)c(O)c1	876966141	NUZFDKDBJJHJSR-AWEZNQCLSA-N	264.369	1.247	10	20	CDCD	
CN1CCN(c2ccc(CNC[C@@H](O)C3CC3)cc2)CC1	771840449	BDOJJJXICLNIEM-QGZVFWFLSA-N	289.423	1.299	10	20	CDCD	
CN(C)c1ccc(CN2C[C@@H]3CC[C@H](C2)N3)cc1F	873215576	DAQLCXWYPRCWQV-BETUJISGSA-N	263.360	1.828	10	20	CDCD	
CC[C@@H](O)CCCNC(=O)/C=C\c1ccc(O)c(O)c1	779526852	ZCFXICFJJRKVOM-XYLWRLHESA-N	279.336	1.778	10	20	CDCD	
CC[C@H](CO)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	779834344	DPKYQGDXIISWDR-GXSJLCMTSA-N	267.325	1.164	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC[C@H]2C[C@H](N)C2)c1	873255510	GVNPZOKUCIUJMF-DCAQKATOSA-N	250.342	1.789	10	20	CDCD	
O=C(N[C@H]1CCO[C@]2(CCOC2)C1)c1cc(O)cs1	771419981	ULAXOFDSVPXUKS-TVQRCGJNSA-N	283.349	1.522	10	20	CDCD	
Oc1c(F)cc(F)cc1CNCC[C@@]1(O)CCCOC1	883158915	VGUULQSOCKJRSO-AWEZNQCLSA-N	287.306	1.692	10	20	CDCD	
CN[C@H](C)c1cn(Cc2ccc(N(C)C)cc2)nn1	881272419	UKYVFZHENZZAAW-LLVKDONJSA-N	259.357	1.673	10	20	CDCD	
O=C(OCC(=O)c1ccc(O)c(O)c1)C1=COCC1	783674501	RLYJFQUDZBKYKN-UHFFFAOYSA-N	264.233	1.128	10	20	CDCD	
O=C(C[C@H]1CCCCO1)OCC(=O)c1ccc(O)c(O)c1	784083351	LBUDLEUOVLCRMU-LLVKDONJSA-N	294.303	1.783	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCC(C)(C)O	787510837	KBFYBLQFGRNGGJ-JTQLQIEISA-N	281.352	1.696	10	20	CDCD	
COC(C)(C)CC(=O)OCC(=O)c1ccc(O)c(O)c1	787126250	OIKFSZAIYKLESF-UHFFFAOYSA-N	282.292	1.639	10	20	CDCD	
CCOc1cccc(CN2CC(=O)N(CC3CC3)C2)c1O	789779343	XLEAQPVUMVLIHY-UHFFFAOYSA-N	290.363	1.803	10	20	CDCD	
C[C@@H](NC(=O)NCCC(C)(C)N)c1ccccc1O	892847973	SHHKGYBRGOGJJI-SNVBAGLBSA-N	265.357	1.880	10	20	CDCD	
COc1ccc(O)c(CNC(=O)CC2OCCCO2)c1	788663939	XUTWOACULFMUCI-UHFFFAOYSA-N	281.308	1.170	10	20	CDCD	
C[C@H]1C(=O)N(C)[C@H](C)[C@H](C)N1Cc1cc(F)ccc1O	895919383	FSFUWYKTAJSBGN-VWYCJHECSA-N	280.343	1.971	10	20	CDCD	
C[C@H](N[C@@H]1CC(=O)N(C)C1)c1ccc(F)cc1O	273554447	GMRFHZKSSMKWQI-WCBMZHEXSA-N	252.289	1.413	10	20	CDCD	
C[C@H](CC(N)=O)NCc1c(O)ccc(Cl)c1F	790977681	NZSAPHMMPVOJFI-ZCFIWIBFSA-N	260.696	1.538	10	20	CDCD	
CN(C)C(=O)CCCOC(=O)c1cccc(O)c1O	795534461	LSHKGFLEWMKVBR-UHFFFAOYSA-N	267.281	1.123	10	20	CDCD	
CC[C@H](C)[C@H](OC)C(=O)NCc1ccc(O)c(O)c1	793691051	ZTNDJFPIDTZPQV-ZANVPECISA-N	267.325	1.775	10	20	CDCD	
CC(C)CO[C@@H](C)C(=O)NCCc1ccc(O)c(O)c1	762274600	JJSJQYIHNUATSF-NSHDSACASA-N	281.352	1.818	10	20	CDCD	
CO[C@@H]1CC[C@H](NC(=O)c2c(F)ccc(O)c2O)C1	1326504453	PAATYBRMAVTAPO-JGVFFNPUSA-N	269.272	1.534	10	20	CDCD	
Nc1ccc(CNC(=O)NCCOCC(F)F)cc1	1336083556	ODDIWQSJHLCRJB-UHFFFAOYSA-N	273.283	1.350	10	20	CDCD	
CCn1c(-c2sccc2O)nnc1N1CC[C@H](OC)C1	1340026259	PHYBYDQSAFWFCY-VIFPVBQESA-N	294.380	1.957	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)c2cc(C(=O)O)ccn2)c1	1600464995	MFCGKNXXVZBVGZ-UHFFFAOYSA-N	286.287	1.724	10	20	CDCD	
CN(C)c1ccc(CN2CCCNC[C@@H]2C(=O)O)cc1	1606054300	RNTMANHSUGMNMS-CQSZACIVSA-N	277.368	1.001	10	20	CDCD	
CN(C)c1ccc(CNc2nccc(C(=O)O)n2)cc1F	1606055120	BVWZSJXCEKNSDJ-UHFFFAOYSA-N	290.298	1.992	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCC[C@@H]2C[C@@]21C(=O)O	1602622651	FHORBMHHHNCMQQ-KRTXAFLBSA-N	267.306	1.533	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCN[C@H]2C[C@H]21	1579617345	NUAJHXFCDRVNCY-LSDHHAIUSA-N	288.395	1.317	10	20	CDCD	
C[C@H](NCCOCC(=O)O)c1cc(F)ccc1O	1589128262	MFEZFLTWSPSLDZ-QMMMGPOBSA-N	257.261	1.283	10	20	CDCD	
Oc1ccc(Cl)c(F)c1CN1CCN(C2CNC2)CC1	1580887942	BIENXBCZBVKOKU-UHFFFAOYSA-N	299.777	1.274	10	20	CDCD	
CCOc1ccc(O)c(CN2CCC[C@H](O)[C@@H]2C(=O)O)c1	1597130550	SHEHLBUGWKWASZ-UONOGXRCSA-N	295.335	1.201	10	20	CDCD	
Cc1cnc(CNCc2ccc(C(=O)O)cc2O)o1	1777481962	XUZHKDJPYKFBET-UHFFFAOYSA-N	262.265	1.677	10	20	CDCD	
CS(=O)(=O)CCCCNCc1ccc2c(c1)CCCO2	922199194	ZCXQDHOEAHMWHB-UHFFFAOYSA-N	297.420	1.926	10	20	CDCD	
Cc1ccc(CN(C)[C@@H](C)C[S@@](C)=O)c(O)c1	877326281	VRAVKTMQJYERJF-APPDUMDISA-N	255.383	1.899	10	20	CDCD	
Cc1cccc(O)c1CN1CCC[C@@H](CS(C)(=O)=O)C1	877548605	NPIXPZVZXRGHBN-CYBMUJFWSA-N	297.420	1.957	10	20	CDCD	
CCCNC(=O)CCNCc1cc2c(cc1O)OCO2	45073049	AEDRBXSWHNBAFX-UHFFFAOYSA-N	280.324	1.127	10	20	CDCD	
CC(C)[C@@H]1NCC[C@H]1C(=O)N(C)Cc1ccccc1O	289561377	LAHHIRWOCQLBMZ-HIFRSBDPSA-N	276.380	1.985	10	20	CDCD	
CC[C@@H](NC[C@](C)(O)COC)c1ccccc1O	382563266	MQXHDOJWDCUFOA-OCCSQVGLSA-N	253.342	1.830	10	20	CDCD	
Cn1c(Cl)cnc1CNCCc1ccc(N)cc1	393622883	SPBNOMYLSPZKFZ-UHFFFAOYSA-N	264.760	1.988	10	20	CDCD	
COc1cccc(CNC(=O)NCCn2ccnc2)c1O	173883472	KBVXIBUBESUVTR-UHFFFAOYSA-N	290.323	1.097	10	20	CDCD	
COC(=O)CN(C)Cc1cc(Cl)cc([N+](=O)[O-])c1O	179394069	JTKROSZKKOZHPB-UHFFFAOYSA-N	288.687	1.559	10	20	CDCD	
COc1cccc(CNC[C@@](C)(O)CSC)c1O	120633761	JUMGRYBATWGEBL-CYBMUJFWSA-N	271.382	1.604	10	20	CDCD	
C[C@@H](N[C@@H]1CC(=O)N(C2CC2)C1)c1cc(F)ccc1O	186089405	VKHHEXYKRRDSKY-MWLCHTKSSA-N	278.327	1.945	10	20	CDCD	
Cc1cc(C(=O)N(C)C[C@H](C)O)c(C)n1-c1ccccn1	126560877	WWQIFFQQOTYCBE-LBPRGKRZSA-N	287.363	1.942	10	20	CDCD	
C=Cn1cc(CNCc2cc(OC)ccc2O)cn1	194312354	RMECUCYTNSKLBX-UHFFFAOYSA-N	259.309	1.988	10	20	CDCD	
CC[C@H](C(=O)NCCc1ccc(N)cc1)N1CCCC1=O	236871553	MQEZZPWCWHNOPX-CQSZACIVSA-N	289.379	1.329	10	20	CDCD	
COc1ccc(O)c(CN2CCS(=O)(=O)[C@H](C)[C@H]2C)c1	180350915	VITCLJGCCWMKCI-GHMZBOCLSA-N	299.392	1.408	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@@](C)(O)C1CC1	274978681	WXGXLEOPVWIBDG-QLJPJBMISA-N	293.363	1.696	10	20	CDCD	
CNC(=O)[C@H]1CCCCN1Cc1ccc(N(C)C)c(F)c1	271096702	ZJDUFIKIIWMMBR-OAHLLOKOSA-N	293.386	1.992	10	20	CDCD	
C[C@H](NC[C@@H](O)c1cnn(C)c1)c1ccc(F)c(F)c1O	276966061	SRQOKLUIPXGMJJ-QPUJVOFHSA-N	297.305	1.788	10	20	CDCD	
C[C@@H](N[C@@H]1COC[C@H]1O)c1cc2c(cc1O)CCCC2	295944515	LQTDIGAFYZLPFZ-QSGSBWRWSA-N	277.364	1.681	10	20	CDCD	
CC1(C)C[C@@H](O)CCN(C(=O)c2c(F)ccc(O)c2O)C1	298252510	FDUJBVLBAMDFPX-VIFPVBQESA-N	297.326	1.860	10	20	CDCD	
CC[C@](C)(O)C(=O)N(C)CCN(C)c1ccc(OC)cc1	823949131	WKEWJTCJYSTGRJ-INIZCTEOSA-N	294.395	1.751	10	20	CDCD	
C[C@H]1COCCN(C(=O)c2c(F)ccc(O)c2O)C1	827310282	MWTIQPIJUYRJOC-MRVPVSSYSA-N	269.272	1.345	10	20	CDCD	
C[C@H](CC(=O)O)C(=O)N(C)Cc1ccc(N(C)C)cc1	827241262	UFXZGHAMMFKEKX-LLVKDONJSA-N	278.352	1.822	10	20	CDCD	
O=S(=O)(N=S1(=O)CCCC1)Nc1ccc(O)cc1	821119692	YEINMIFQIVDTJZ-UHFFFAOYSA-N	290.366	1.311	10	20	CDCD	
CN(Cc1ccc(-c2nn[nH]n2)o1)c1ccc2c(c1)OCO2	825961686	LITOPHVXWDOCSN-UHFFFAOYSA-N	299.290	1.825	10	20	CDCD	
O=C(NCCCSc1nccs1)[C@H]1C[C@]12CCNC2	829528064	KAOHPPWJYGOKNK-MFKMUULPSA-N	297.449	1.741	10	20	CDCD	
CCOC(=O)[C@@H](CC)C(=O)NCc1cc(OC)ccc1O	839685701	XHKNXHYUSXBGDT-LBPRGKRZSA-N	295.335	1.606	10	20	CDCD	
O=C(NCCNC(=O)c1cc(O)cs1)c1cccs1	732272852	PIYKKOIPKSLFLH-UHFFFAOYSA-N	296.373	1.675	10	20	CDCD	
COc1cccc(CNC(C)(C)CC(=O)O)c1O	738104667	MXQHIENFHSHHNX-UHFFFAOYSA-N	253.298	1.744	10	20	CDCD	
CNC(=S)N(C)Cc1ccc(N2CCOCC2)cc1	730595586	SLXHNOLMRDRLMQ-UHFFFAOYSA-N	279.409	1.459	10	20	CDCD	
Oc1cccc(Cl)c1CNCCN1C[C@@H]2CC[C@H](C1)O2	830609325	CSZBLZLWBXAEHA-TXEJJXNPSA-N	296.798	1.998	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN(C)CC(C)(CO)CO	840918658	XHSUUTICVFWNNY-UHFFFAOYSA-N	280.412	1.484	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)N2CCNCC2)cc1	841719386	KZRUSNDBZATGAM-UHFFFAOYSA-N	290.411	1.648	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@H]2CCCS2)c1	743410942	TVBUTCKPOTZYSL-GFCCVEGCSA-N	267.350	1.913	10	20	CDCD	
C[C@H](N)[C@H]1CCN(Cc2cc3c(cc2O)OCO3)C1	843057011	FERAKTLXGSZXRH-UWVGGRQHSA-N	264.325	1.290	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)c1cnc2c(cnn2C)c1	747511160	GKBNTXHNJFVXQN-UHFFFAOYSA-N	296.330	1.946	10	20	CDCD	
N[C@@H]1CCO[C@H]1C1CCN(Cc2cc(F)ccc2O)CC1	843125413	VXRVEFQYWBEUTA-ZBFHGGJFSA-N	294.370	1.860	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)N[C@@H]2COC[C@@H]2C)c1	926029989	IWBNTBWIVJJPST-CMPLNLGQSA-N	264.325	1.535	10	20	CDCD	
CCCOc1ccc(CNCCOCC(=O)O)cc1C	871874637	TZORWJJDXQSRRZ-UHFFFAOYSA-N	281.352	1.975	10	20	CDCD	
C[C@@H](NC[C@@H](O)COC[C@H]1CCCO1)c1ccccc1O	879648764	CSQOIHCSMPWWDU-MGPQQGTHSA-N	295.379	1.599	10	20	CDCD	
CN(C)c1ccc(CNC2CC(C(=O)O)C2)cc1F	874056000	KCEQWZAPTBVYQG-UHFFFAOYSA-N	266.316	1.845	10	20	CDCD	
C[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	773741213	TVXAINGUGCIZDC-SCVCMEIPSA-N	279.336	1.570	10	20	CDCD	
CCOC(=O)CN(C)C(=O)CN[C@H](C)c1ccccc1O	879648298	IYCSZXBVPVOPJY-LLVKDONJSA-N	294.351	1.064	10	20	CDCD	
C[C@@H](O)CN(C)Cc1ccc(N2CCC(O)CC2)cc1	877320714	RTHSIKBEDVAKPC-CYBMUJFWSA-N	278.396	1.460	10	20	CDCD	
C[C@@H](NC(=O)N=c1nc[nH]n1C)c1ccc(N(C)C)cc1	775687630	CPQYSFDVTVQWDK-SNVBAGLBSA-N	288.355	1.186	10	20	CDCD	
C[C@H](NC(=O)C1(C(N)=O)CC1)c1ccc(N(C)C)cc1	772999830	MVJDUNJPZJLWHP-JTQLQIEISA-N	275.352	1.195	10	20	CDCD	
Nc1ccc(CNC(=O)N2CC[C@@](O)(C3CC3)C2)cc1	1120677176	MFAJTECIOSBODA-HNNXBMFYSA-N	275.352	1.325	10	20	CDCD	
CNC(=O)[C@@H]1CCC[C@H]1N[C@H](C)c1ccccc1O	783524604	HZXSMKDXOCBJSL-RAIGVLPGSA-N	262.353	1.958	10	20	CDCD	
CCCNC(=O)CCNCc1cc(C)cc(OC)c1O	894199922	TZXOYXDJGWHMCU-UHFFFAOYSA-N	280.368	1.715	10	20	CDCD	
C[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1ncn(C)n1	781403502	ZCAQSMXQWVJYBO-XTULLQBASA-N	288.307	1.117	10	20	CDCD	
COc1cc(O)c(CN(C)Cc2ncc[nH]2)cc1OC	894586736	UFQCCNDMUQVSLP-UHFFFAOYSA-N	277.324	1.765	10	20	CDCD	
CC[C@H](F)C(=O)NCCNCc1ccc(OC)c(C)c1	1132439814	MAXQFLGPGNEYKZ-ZDUSSCGKSA-N	282.359	1.958	10	20	CDCD	
CNC[C@H](C)CNC(=O)NCc1ccc(OC)cc1O	1325367055	UNMKNZCUOWELJO-JTQLQIEISA-N	281.356	1.056	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)C(=O)N1C2CCC1CC2	1324821394	SXQXGMTYNJEUGR-UHFFFAOYSA-N	288.347	1.504	10	20	CDCD	
Cc1nsc(N2CCN(Cc3ccc(N)cc3)CC2)n1	1335288136	DOOPXXMQENPODJ-UHFFFAOYSA-N	289.408	1.751	10	20	CDCD	
O=C(Cn1cc(C2CC2)cn1)NCc1cccc(O)c1O	1348048542	UVIMXHGDOAICAS-UHFFFAOYSA-N	287.319	1.488	10	20	CDCD	
C[C@H](O)CCCN[C@@H](C)c1cc(C(=O)O)ccc1O	1604383587	DDFRBUZPTBJWMW-UWVGGRQHSA-N	267.325	1.902	10	20	CDCD	
O=C(O)c1cc(CN2Cc3cccc(O)c3C2)on1	1608842682	UEVPSPXNGNWZFR-UHFFFAOYSA-N	260.249	1.594	10	20	CDCD	
C[C@H](N[C@H](C)[C@@H](C)N)c1cc(C(=O)O)ccc1O	1609777907	XPDKCPAGBLMWQK-HLTSFMKQSA-N	252.314	1.477	10	20	CDCD	
COc1ccc(O)c(CNCCCn2ccnc2)c1	20506072	HFFANQGASJPCNB-UHFFFAOYSA-N	261.325	1.777	10	20	CDCD	
Oc1ccc(F)cc1CN[C@H]1CCN(C2CC2)C1	226607477	WZFNLTKYVWYAFW-LBPRGKRZSA-N	250.317	1.858	10	20	CDCD	
COc1cc(Cl)cc(CNC2(C)CNC2)c1O	1579155922	WSGHVXDRBDXENS-UHFFFAOYSA-N	256.733	1.506	10	20	CDCD	
Nc1ccc(C(=O)NCc2cccc(O)c2O)cn1	1580439962	JOLRRENWKPJPNW-UHFFFAOYSA-N	259.265	1.005	10	20	CDCD	
C[C@H](N[C@H]1CCC[C@@H]1O)c1cc(C(=O)O)ccc1O	1593357271	PJGLGWSBAYJMGP-QWRKXWFKSA-N	265.309	1.654	10	20	CDCD	
COc1cc(C(=O)NCc2ccc(N(C)C)cc2C)on1	156027272	DUMBRKVZWNGKEA-UHFFFAOYSA-N	289.335	1.988	10	20	CDCD	
Cc1ccc(O)c([C@H](C)NC[C@H]2CCS(=O)(=O)C2)c1	38083267	RCJRJCPSWZXEIY-NWDGAFQWSA-N	283.393	1.786	10	20	CDCD	
C[C@@H](NCc1cnnn1C)c1cc(F)ccc1O	287459537	VQDJJQUWMVRMCT-MRVPVSSYSA-N	250.277	1.511	10	20	CDCD	
CC[C@@H](NCc1cc2c(cc1O)OCO2)C(C)(C)O	293202041	XSGOCLRZNDSQDD-CYBMUJFWSA-N	267.325	1.760	10	20	CDCD	
C[C@@H](NCCN1CCC(O)CC1)c1ccc(F)cc1O	321605338	UJUIZOKOWHXUAU-LLVKDONJSA-N	282.359	1.639	10	20	CDCD	
CC(C)C[C@H](O)CNC(=O)Cc1ccc(N)cc1	226368412	IZNZFUOZZBRRHH-ZDUSSCGKSA-N	250.342	1.335	10	20	CDCD	
COC(=O)[C@@H]1C[C@@H]1C(=O)NCc1ccc(N(C)C)cc1C	115280898	WGJLQRCGAHTUKX-UONOGXRCSA-N	290.363	1.486	10	20	CDCD	
O=S1(=O)CCN(Cc2cccc(Cl)c2O)CC1	124589453	BOSYLVQAJJMHLC-UHFFFAOYSA-N	275.757	1.276	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNc1ccc(C(N)=O)nn1	75052495	ZYTGWOZNJQGFCX-UHFFFAOYSA-N	285.351	1.562	10	20	CDCD	
COCCN1CC[C@@H](NCc2cccc(OC)c2O)C1	264653338	XLLRRLMRWYETEJ-CYBMUJFWSA-N	280.368	1.211	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)[C@H]1CN(C)CCO1	81958480	LJIMVWCPBBAJFL-OAHLLOKOSA-N	292.379	1.461	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)CCc1ccncn1	191845613	QZOIEZHJDQGVIL-UHFFFAOYSA-N	271.320	1.773	10	20	CDCD	
CO[C@H]1CN(Cc2cc(C)ccc2O)C[C@H]1OC	234860124	WQPZWBKRIMHKFX-OKILXGFUSA-N	251.326	1.546	10	20	CDCD	
CC(=O)NCCCN[C@H](C)c1cc(C)ccc1O	184921625	OWRUXYPHFSPUDV-LLVKDONJSA-N	250.342	1.877	10	20	CDCD	
CCC1(O)CCN(Cc2cc3c(cc2O)OCO3)CC1	266063068	GQVALCNTXKZHJC-UHFFFAOYSA-N	279.336	1.858	10	20	CDCD	
Cc1ccc([C@H](O)CNC(=O)c2ccc(C)c(O)c2O)o1	272777803	UNQFNIGCSYXQKR-LLVKDONJSA-N	291.303	1.771	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)CO)cc1F	270790075	LQOIOYRLWUOHNC-UHFFFAOYSA-N	254.305	1.280	10	20	CDCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C[C@@H](C)O	281884208	DFKCCUPVQNYURY-SECBINFHSA-N	287.743	1.401	10	20	CDCD	
CCOC(=O)N1CC[C@@H](NC(=O)c2cccc(O)c2O)C1	280376078	DYYCEWNIMYALPA-SECBINFHSA-N	294.307	1.058	10	20	CDCD	
COCCN(C)CCCNC(=O)NCc1ccccc1O	299542051	VSNJHTALBWTMCT-UHFFFAOYSA-N	295.383	1.160	10	20	CDCD	
CCN(CC)CCNC(=O)NCc1ccccc1O	299464287	ASCBQCMRAKWUID-UHFFFAOYSA-N	265.357	1.533	10	20	CDCD	
COc1ccc(C(=O)OCC(=O)C(C)=O)c(OC)c1	808488198	CBWJHCXHLGXBCX-UHFFFAOYSA-N	266.249	1.019	10	20	CDCD	
CN1CC[C@H]1CNCc1cc(Br)ccc1O	712580799	PESBTRQBYDLTKX-NSHDSACASA-N	285.185	1.948	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2cc(C)n(C)n2)c1	728981826	FIEZWLPGOLWIEB-SNVBAGLBSA-N	289.335	1.934	10	20	CDCD	
C[C@H]1C(=O)NCCN1Cc1cc(Cl)c(F)cc1O	816498658	FDIVHUVDDKIBEK-ZETCQYMHSA-N	272.707	1.505	10	20	CDCD	
Cc1ccc(C(=O)OCCNC(=O)NC(C)C)c(O)c1O	828807199	KFJCPTKQOCVJTP-UHFFFAOYSA-N	296.323	1.271	10	20	CDCD	
COc1ccc(CNC(=O)CN(C)CC(C)(C)C)c(O)c1	822612790	TYVYATWCKAMRJZ-UHFFFAOYSA-N	294.395	1.995	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)c2[nH]cnc2C)c1	821066428	YDKNFDNMSLBKEN-QMMMGPOBSA-N	275.308	1.923	10	20	CDCD	
CN(C)c1ccc([C@@H](N)CNC(=O)[C@@H]2[C@H]3CCC[C@H]32)cc1	832267352	QTOJSZJXISYNCB-XUWVNRHRSA-N	287.407	1.915	10	20	CDCD	
CC[C@H](OC)C(=O)NC[C@H](N)c1ccc(N(C)C)cc1	832280307	OSXLLSDTCDKJQY-KBPBESRZSA-N	279.384	1.294	10	20	CDCD	
O=C(OC[C@H]1C[C@H]2CC[C@H]1O2)c1cccc(O)c1O	837648707	VFGGAKJHURJEMO-KBVBSXBZSA-N	264.277	1.822	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CN2CC[C@@H](F)C2)cc1	830473374	FJWFQQVUYBQTBS-CYBMUJFWSA-N	279.359	1.413	10	20	CDCD	
CCn1nncc1/C=C1\SC(N2CCCCC2)=NC1=O	841487665	SBWNBZLLHKUCSE-FLIBITNWSA-N	291.380	1.754	10	20	CDCD	
COC(=O)COc1ccc(N(C)C[C@@H]2CCCN2)cc1	843119120	DSKDLMWRUQQPBX-LBPRGKRZSA-N	278.352	1.427	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)Cc1nonc1C	845534189	FCXQHWAXBNHJPM-UHFFFAOYSA-N	288.351	1.611	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)NCCNC1CC1	841829309	ZKRRJYNSHQBAIE-UHFFFAOYSA-N	290.411	1.612	10	20	CDCD	
CCc1cccc(CNCCN2CCOC[C@@H]2C)c1O	848898964	BEBSJAORMLITGL-ZDUSSCGKSA-N	278.396	1.765	10	20	CDCD	
CO[C@@H]1CCC[C@H](C(=O)NCc2ccc(O)cc2O)C1	910943329	AEFTWEVCBVYPHT-GXFFZTMASA-N	279.336	1.919	10	20	CDCD	
COc1cccc(CNC(=O)COC2(C)CCC2)c1O	746239222	AAAROQHYABBJQA-UHFFFAOYSA-N	279.336	1.976	10	20	CDCD	
CCc1cccc(CN2CC(OCCOC)C2)c1O	848900482	MHTKXZXHLHMUKY-UHFFFAOYSA-N	265.353	1.802	10	20	CDCD	
Cn1ccnc1[C@@H]1CNCCN1Cc1cccc(F)c1O	843121703	HRUQIQUYMZOLKO-ZDUSSCGKSA-N	290.342	1.411	10	20	CDCD	
COc1ccc(CNC(=O)N[C@@H](C)CCCN)c(O)c1	841999199	CXVFXDUGAHRTOU-JTQLQIEISA-N	281.356	1.327	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)NCCC(C)(C)N)c1	925737460	IWDFTRWWGOWOCO-SNVBAGLBSA-N	280.368	1.957	10	20	CDCD	
C[C@@H](O)[C@H](O)CN(Cc1ccco1)Cc1ccccc1O	929969632	OZRNCOJOXIQBNR-MLGOLLRUSA-N	291.347	1.729	10	20	CDCD	
COc1ccc2c(c1)CCCN2Cc1ncnn1C	750035903	ITQFOQIRNGIBRH-UHFFFAOYSA-N	258.325	1.777	10	20	CDCD	
Cc1ccc(C(=O)N[C@H](C)C2(CO)CC2)c(O)c1O	855481302	PRIXFRJDDMAUCF-SECBINFHSA-N	265.309	1.297	10	20	CDCD	
COc1ccc(N(C)CCN(C)CN2CCC2=O)cc1	857237178	QHBNFSYPUGMHES-UHFFFAOYSA-N	277.368	1.253	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)c1ccnc(C2CC2)n1	762268456	HFNWDNXXSSXDRX-UHFFFAOYSA-N	299.330	1.738	10	20	CDCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@H]2NCCN1CC[C@H](O)C1	1118866561	ZKTYLNVPKDJFLH-MELADBBJSA-N	290.407	1.905	10	20	CDCD	
CN(C(=O)CNC(=O)C1CCCCC1)c1ccc(N)cc1	877078797	FOEBIEOHDYDTCT-UHFFFAOYSA-N	289.379	1.928	10	20	CDCD	
CN(C)c1ccc(CN[C@H]2C[C@H](C(=O)O)C2)cc1F	874053584	KCEQWZAPTBVYQG-XYPYZODXSA-N	266.316	1.845	10	20	CDCD	
C[C@@H](NC(=O)[C@H]1C[C@]12CCCNC2)c1ccccc1O	870988163	HFICICNWDBDHCD-KFNAQCHYSA-N	274.364	1.959	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H](CCO)C1CC1	779533231	HPRNRIAUJUWSLL-QSLRECBCSA-N	277.320	1.388	10	20	CDCD	
COCCOC(=O)NCc1cc(OC)ccc1O	885027922	PCZMSDYRJKOBKM-UHFFFAOYSA-N	255.270	1.273	10	20	CDCD	
CC(C)(C)n1nnc(CNCc2cc(F)cc(F)c2O)n1	883162415	RYPKDTCSGWHJOF-UHFFFAOYSA-N	297.309	1.702	10	20	CDCD	
C[C@@H]1OCC[C@@H]1Cn1cc(COc2ccc(N)cc2)nn1	881366309	CGLUYFNAQWQQAE-NWDGAFQWSA-N	288.351	1.864	10	20	CDCD	
CCN(CCC(=O)NC)Cc1cc(C)c(C)cc1O	897710516	VEFIVCWIDKEPNJ-UHFFFAOYSA-N	264.369	1.967	10	20	CDCD	
COCCONC(=O)N[C@@H](C)c1cc(OC)ccc1O	789352795	GLQIKUQPOHIRAV-VIFPVBQESA-N	284.312	1.339	10	20	CDCD	
NCCCCCC(=O)NCc1cccc(O)c1O	83392465	QYHZDBGATXQURJ-UHFFFAOYSA-N	252.314	1.233	10	20	CDCD	
CC1(CCNCc2cc(F)cc(F)c2O)OCCO1	708394279	URDRDZZZGUOSBE-UHFFFAOYSA-N	273.279	1.913	10	20	CDCD	
COc1ccc(CN=c2ncnc3[nH]n(C)cc2-3)c(O)c1	794866358	WDBZOZXSKUGOHB-UHFFFAOYSA-N	285.307	1.063	10	20	CDCD	
CCCN(CC(=O)N(C)C)Cc1c(O)cccc1OC	768997118	CAMVBNKGFBGBFG-UHFFFAOYSA-N	280.368	1.701	10	20	CDCD	
CCn1c(CO)nnc1N(C)Cc1ccccc1O	1340114461	NXWUKMIMUYPGOM-UHFFFAOYSA-N	262.313	1.132	10	20	CDCD	
C[C@H](N)[C@@H]1CCCN(C(=O)NCc2ccc(N)cc2)C1	1262603825	WNLUNRLWMPLHMP-WCQYABFASA-N	276.384	1.538	10	20	CDCD	
CC(C)c1ccc(O)c(CNC[C@](C)(O)C(=O)O)c1	1573567345	UUPZHFMVUGECFU-AWEZNQCLSA-N	267.325	1.441	10	20	CDCD	
Oc1c(Cl)cc(Cl)cc1CN[C@H]1CCNC[C@@H]1O	1580886037	VNZVIIHEEABZHQ-QWRGUYRKSA-N	291.178	1.511	10	20	CDCD	
CCC[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C(=O)O	1596020287	REXADEUXOBSVRS-JTQLQIEISA-N	292.295	1.832	10	20	CDCD	
COC(=O)c1cc(OCC2(C(=O)O)CC2)ccc1N(C)C	1598949920	VLYTXQDOKPQJAS-UHFFFAOYSA-N	293.319	1.783	10	20	CDCD	
O=C(O)CCCCC(=O)NCCc1ccc(O)c(O)c1	1595032720	NSUJZRUHCMOSIH-UHFFFAOYSA-N	281.308	1.402	10	20	CDCD	
CCOc1ccc(O)c(CN2CC[C@H](C(N)=O)C2)c1	157199919	INMQNRWMHBIYLW-JTQLQIEISA-N	264.325	1.098	10	20	CDCD	
CN(C)C(=O)[C@@H]1CCN(Cc2c(O)cccc2Cl)C1	840957155	GJDFRMYNZIDNHX-SNVBAGLBSA-N	282.771	1.956	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@H]1CCCNCC1	846668368	LGGUJDDORBYQJC-LBPRGKRZSA-N	262.353	1.740	10	20	CDCD	
COc1cccc(CN2C[C@@H]3CCC[C@H](N)[C@H]3C2)c1O	252859397	MKWMTDCGXFYMIS-UBHSHLNASA-N	276.380	1.960	10	20	CDCD	
CN1C(=O)CC[C@H](NCc2cccc(Cl)c2O)C1=O	158803144	IEZYJIWHVCJYTJ-JTQLQIEISA-N	282.727	1.283	10	20	CDCD	
CN1CC[C@@H](N2CCCc3cc(CN)ccc32)C1=O	700969370	LVQKYGMSAQXAHU-CQSZACIVSA-N	259.353	1.129	10	20	CDCD	
CCN1CCN(Cc2cc(F)cc(F)c2O)CC1	708423284	RGAVGEMPJMMMFD-UHFFFAOYSA-N	256.296	1.808	10	20	CDCD	
COc1ccc(O)c(CN[C@@H](C)c2ncn(C)n2)c1	391941797	WRGLTBOADUJAJF-VIFPVBQESA-N	262.313	1.380	10	20	CDCD	
CC(C)(C)[C@H](CO)NC(=O)Cc1ccc(N)cc1	393980157	RBTWDAMFHZJVGX-LBPRGKRZSA-N	250.342	1.335	10	20	CDCD	
O=C1N[C@H](c2cc3c(cc2O)OCO3)Nc2ccccc21	63494523	GNVNVLRSRHSGTD-CQSZACIVSA-N	284.271	1.975	10	20	CDCD	
CCN(Cc1cc(OC)ccc1O)[C@H]1CCNC1=O	281640283	APHKDLLEVCBUCI-LBPRGKRZSA-N	264.325	1.111	10	20	CDCD	
CCC(=O)N1CC[C@@H](NC(=O)c2ccc(C)c(O)c2O)C1	182810844	BSSZHVSWDVTDRD-SNVBAGLBSA-N	292.335	1.147	10	20	CDCD	
Nc1ccc(CC(=O)N2CCC3(CCNCC3)C2)cc1	367358439	KNONNYPHZANUAL-UHFFFAOYSA-N	273.380	1.413	10	20	CDCD	
Cc1ccc(O)c(CN2CC[C@@H](C)S(=O)(=O)CC2)c1	192050509	COQYFIUERXVIBM-GFCCVEGCSA-N	283.393	1.710	10	20	CDCD	
CCOc1ccc(O)c(CN[C@H]2C(=O)NCC[C@@H]2C)c1	193687581	SARGMFAFNGRNSK-IINYFYTJSA-N	278.352	1.405	10	20	CDCD	
CC(C)NC(=O)CN[C@@H](C)c1cc(F)ccc1O	94617117	RCGRVJUZYQAUMN-VIFPVBQESA-N	254.305	1.707	10	20	CDCD	
Nc1ccc(CC(=O)NCC(=O)OC2CCCCC2)cc1	238110556	YMJISWAXQZHFDI-UHFFFAOYSA-N	290.363	1.803	10	20	CDCD	
C[C@H](NC[C@H](O)c1cnn(C)c1)c1ccc(F)c(F)c1O	276966064	SRQOKLUIPXGMJJ-UFBFGSQYSA-N	297.305	1.788	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNCc2cc(C)no2)c1O	278513823	QHCZSIQUCZPRTL-UHFFFAOYSA-N	293.279	1.895	10	20	CDCD	
CN1CCCc2cc(CNC(=O)c3cnn(C)n3)ccc21	284066347	VOKKMXSMADJASK-UHFFFAOYSA-N	285.351	1.128	10	20	CDCD	
CCCCN(Cc1ccccc1O)[C@@H](C)C(N)=O	282560799	YLGDXABICHGMEZ-NSHDSACASA-N	250.342	1.868	10	20	CDCD	
O=C(NCC(F)(F)C(F)F)c1c(F)ccc(O)c1O	295843478	ZSZNBKRIGLABFD-UHFFFAOYSA-N	285.168	1.867	10	20	CDCD	
CC(=O)C(=O)COC(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C	808493076	QLGUKMHWCQLMEO-ZYHUDNBSSA-N	252.310	1.926	10	20	CDCD	
C[C@H](N)[C@@H]1COCC[C@H]1NCc1ccc(N(C)C)cc1	817894264	CLYRVDOLMPCVKO-VBNZEHGJSA-N	277.412	1.595	10	20	CDCD	
CC(=O)c1cc(F)cc(CN(C)CC(=O)O)c1O	817723495	IBRWVEABAVULNR-UHFFFAOYSA-N	255.245	1.250	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC2CCNCC2)c1	817934746	CAXSSYCHWGQYLX-SNVBAGLBSA-N	250.342	1.803	10	20	CDCD	
COC[C@H](O)CNCc1ccc(N2CCSCC2)cc1	818964482	XOVDGBGFZZJUPY-OAHLLOKOSA-N	296.436	1.337	10	20	CDCD	
COC(=O)c1ccc(NCc2cc(OC)ccc2O)nn1	811805823	BCTLVFLCTNSEJI-UHFFFAOYSA-N	289.291	1.590	10	20	CDCD	
CCC(=O)N1CCN(C(=O)c2cc(O)cs2)C1	822434116	OGQDONQFEJMFOZ-UHFFFAOYSA-N	254.311	1.106	10	20	CDCD	
CCN1CCC[C@H](CNC(=O)c2cc(O)cs2)C1	732279226	LTLCKNYHYSSXCB-SNVBAGLBSA-N	268.382	1.915	10	20	CDCD	
CC(C)N1CCN(C(=O)c2cc(O)cs2)CC1	731868543	JBSXJQRQEVIXFI-UHFFFAOYSA-N	254.355	1.620	10	20	CDCD	
Oc1cc2c(cc1CN1C[C@@H]3CCNC[C@@H]3C1)OCO2	904421366	ZVCNQTMDDMMNNQ-CMPLNLGQSA-N	276.336	1.162	10	20	CDCD	
C[C@@H](NC(=O)c1ncc[nH]1)c1ccc(N(C)C)cc1	832432034	YLODNBWGFDXVBZ-SNVBAGLBSA-N	258.325	1.967	10	20	CDCD	
C[C@H](NC[C@@]1(C)CCC(=O)N1)c1cc([N+](=O)[O-])ccc1O	834910750	ZCIUAZKIMQGCGI-LKFCYVNXSA-N	293.323	1.620	10	20	CDCD	
COCc1nsc(NC(=O)Cc2ccc(N)cc2)n1	832194984	DUJGKFASBULCNA-UHFFFAOYSA-N	278.337	1.448	10	20	CDCD	
C[C@H](CCN)NCc1ccc(N2CCOCC2)c(F)c1	841052908	XNORATSOGDBHGT-GFCCVEGCSA-N	281.375	1.489	10	20	CDCD	
COc1ccc(N(C)CC(=O)N2C[C@H](C)O[C@H](C)C2)cc1	844352857	AJCJALLGUAHZSK-BETUJISGSA-N	292.379	1.767	10	20	CDCD	
C[C@@H]1CC(=O)CC[C@H]1C(=O)NCc1ccc(O)cc1O	910950648	ZIRYIDFFGBSEMG-NOZJJQNGSA-N	277.320	1.719	10	20	CDCD	
CCN(Cc1nnnn1C)c1ccc(OC)c(OC)c1	749905634	NPSHASZSHQFBQB-UHFFFAOYSA-N	277.328	1.254	10	20	CDCD	
NCC[C@H]1CCCN(Cc2cc3c(cc2O)OCO3)C1	843112047	CUWSVNCTBYMIEC-LLVKDONJSA-N	278.352	1.682	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)[C@]2(O)CCOC2)cc1	840279320	VSSAGUYHMKPOBD-INIZCTEOSA-N	292.379	1.300	10	20	CDCD	
O=C(NCc1ccccc1O)c1ncoc1-c1ccon1	857471504	BCNWJGXHCWFGOS-UHFFFAOYSA-N	285.259	1.965	10	20	CDCD	
CCCCOC(=O)COC(=O)c1cccc(O)c1O	758574056	ZGXZQPFHMAYFKJ-UHFFFAOYSA-N	268.265	1.598	10	20	CDCD	
Cn1cnc(/C=C\C(=O)N2CCCn3nccc32)c1	931494786	RSFTVCGERWTMSG-ARJAWSKDSA-N	257.297	1.067	10	20	CDCD	
CCOC(=O)C[C@@H](O)COc1ccc(N(C)C)cc1	863469798	JZGXOYHZYHUEBT-GFCCVEGCSA-N	267.325	1.446	10	20	CDCD	
CC(=O)NC[C@H]1CCCCN1C(=O)c1cc(O)cs1	863813749	QAPHYAKWTVFGDM-SNVBAGLBSA-N	282.365	1.585	10	20	CDCD	
CCOC(C)(C)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	867301926	HUWSICHTQHLSQD-SNVBAGLBSA-N	281.352	1.960	10	20	CDCD	
COc1ccc(O)c(CNC(=O)N[C@H]2C[C@H](OC)C2)c1	875289364	DYFFSUCTVRFELM-UMSPYCQHSA-N	280.324	1.377	10	20	CDCD	
Cc1ccc(CNC[C@H](O)C2CCOCC2)c(O)c1	877044354	ZLOOIHFFTIBJDK-HNNXBMFYSA-N	265.353	1.578	10	20	CDCD	
Cc1cccc(O)c1CN1CC[C@H](C)C[C@@H]1C(N)=O	877436943	PKDNPAGOCSXKPT-GXFFZTMASA-N	262.353	1.786	10	20	CDCD	
COc1ccc(CN2CC(C)(OC)C2)c(O)c1OC	1119970151	PHIYWDKQZUHEPZ-UHFFFAOYSA-N	267.325	1.630	10	20	CDCD	
CCOc1ccc(CN(CC(=O)OC)C2CC2)c(O)c1	770281809	WWBMSYUGNLNAIF-UHFFFAOYSA-N	279.336	1.928	10	20	CDCD	
CCOc1cccc(CN[C@@H](CO)C[C@@H]2CCCO2)c1O	886229677	UMORFLDFYAQKFW-KGLIPLIRSA-N	295.379	1.811	10	20	CDCD	
CCOc1cccc(CNC[C@H](O)C2CC2)c1O	71299503	MQFATIIDLQKAON-LBPRGKRZSA-N	251.326	1.651	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NCc2nonc2C)c1	775372177	ZSRYCKDJEMAXKA-MRVPVSSYSA-N	263.297	1.943	10	20	CDCD	
C[C@H](NS(=O)(=O)N1CCCC1)c1ccc(N(C)C)cc1	773089682	UGCADBWPHXPLLA-LBPRGKRZSA-N	297.424	1.744	10	20	CDCD	
CC[C@@H](C)[C@@](C)(O)CNC(=O)NCc1ccc(N)cc1	1120681980	SGGGBTJFUPLVCM-ABAIWWIYSA-N	279.384	1.865	10	20	CDCD	
COc1ccc(CN[C@H](C)CCN(C)C)c(O)c1OC	892762481	AJCBEBYHDJMEGL-LLVKDONJSA-N	282.384	1.839	10	20	CDCD	
COCCN1CC[C@H](N[C@H](C)c2ccc(F)cc2O)C1	273572583	KZNUUFVNENWGFF-YPMHNXCESA-N	282.359	1.903	10	20	CDCD	
C[C@@H]1CN(Cc2cc(F)cc(F)c2O)CC[S@](=O)C1	894565372	FRYWDOHHSWTKSQ-HOGDKLEQSA-N	289.347	1.871	10	20	CDCD	
COc1ccc(CNC(=O)c2cnc(C)nc2N)c(O)c1	796350913	PNNIWOVIGGAYML-UHFFFAOYSA-N	288.307	1.011	10	20	CDCD	
OC[C@H](CNCc1ccccc1O)CC1CCOCC1	1326560099	CKMGGVHTNYAFDS-AWEZNQCLSA-N	279.380	1.907	10	20	CDCD	
CNC[C@H](C)CN[C@H](C)c1cc([N+](=O)[O-])ccc1O	1327840617	PWAADGDUJKOXOR-VHSXEESVSA-N	267.329	1.807	10	20	CDCD	
CCOc1ccc(N(C)C[C@H]2CN(C)C(=O)O2)cc1	1333038047	DVZKWTYOXIOOLB-ZDUSSCGKSA-N	264.325	1.972	10	20	CDCD	
C[C@H](O)C[C@H](C)NC(=O)NCc1ccc(N)cc1	1337017649	ASRHWPSBTYQEJE-UWVGGRQHSA-N	251.330	1.227	10	20	CDCD	
C[C@@H]1COCC[C@@H]1C(=O)NCc1cccc(O)c1O	1352657226	AEQOCFAZRAVJOX-KOLCDFICSA-N	265.309	1.387	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2ccnc(N)c2)cc1	1578426100	UCFBEPWIJPGSLV-UHFFFAOYSA-N	270.336	1.660	10	20	CDCD	
CC(C)[C@H](N)CCNCc1cc([N+](=O)[O-])ccc1O	1575839110	PBVGOOKVXZIZNY-GFCCVEGCSA-N	267.329	1.763	10	20	CDCD	
C[C@@H](NCc1cnn(C)n1)c1cc(C(=O)O)ccc1O	1593311515	GSOYIYLSHXFMKO-MRVPVSSYSA-N	276.296	1.070	10	20	CDCD	
Cc1ccc(O)c(CNc2nc(C)cc(-c3nn[nH]n3)n2)c1	1592186740	ZLOBETJCIZXWJU-UHFFFAOYSA-N	297.322	1.591	10	20	CDCD	
COCCNCCNCc1ccc(OC)c(C)c1	841048783	ULUZRNLBDAFLOP-UHFFFAOYSA-N	252.358	1.329	10	20	CDCD	
COc1ccc(N(C)CCN2C(=O)CCC2=O)cc1	844353756	ZEECJGNGOWGZHK-UHFFFAOYSA-N	262.309	1.280	10	20	CDCD	
CN(C)C(=O)CNCc1ccc(N2CCCC2)cc1	37254262	VZONZGXPQSQNHQ-UHFFFAOYSA-N	261.369	1.465	10	20	CDCD	
Nc1ccc(CC(=O)N2CCN3CCCC[C@H]3C2)cc1	37812710	FPJOIVUGSIDCGD-HNNXBMFYSA-N	273.380	1.508	10	20	CDCD	
COc1ccc(CNCCCNS(C)(=O)=O)cc1C	44862444	IAKPBODMYULLHM-UHFFFAOYSA-N	286.397	1.033	10	20	CDCD	
CS(=O)(=O)C1(CNCc2cccc(Cl)c2O)CC1	279871482	TYQJJHUVJGGONP-UHFFFAOYSA-N	289.784	1.712	10	20	CDCD	
CS(=O)(=O)CCCCNCc1ccccc1O	692784216	KNEDMOYDHOHVNO-UHFFFAOYSA-N	257.355	1.307	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)NC[C@@H](C)O)cc1	57464371	UMWDCBJMAOWQSV-GFCCVEGCSA-N	279.384	1.713	10	20	CDCD	
C[C@@H](O)CN(C)C(=O)NCc1ccc(N2CCCC2)cc1	179581625	RSTNVPVJNCBTDM-CYBMUJFWSA-N	291.395	1.809	10	20	CDCD	
C[C@@H](C[S@](C)=O)N(C)Cc1cc(F)ccc1O	130871720	SDDNZXWSWPBPCH-HUTHGQBESA-N	259.346	1.730	10	20	CDCD	
CCC[C@@](C)(CO)NCc1cc2c(cc1O)OCO2	123082587	PETGUQPADUQEDD-AWEZNQCLSA-N	267.325	1.762	10	20	CDCD	
COc1ccc(O)c([C@H](C)NCCN2CCO[C@@H](C)C2)c1	185361925	LHMBUILIMACJII-STQMWFEESA-N	294.395	1.772	10	20	CDCD	
O=C(NCCCNc1ccccn1)c1cccc(O)c1O	187553840	BHAALIPWFREZDL-UHFFFAOYSA-N	287.319	1.725	10	20	CDCD	
COc1ccnc(N[C@H](C)Cc2ccc(O)c(O)c2)n1	183599400	PKZZVURGAWGVRM-SECBINFHSA-N	275.308	1.940	10	20	CDCD	
CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	46905965	IPVUMZVAKWUQKY-GFCCVEGCSA-N	264.325	1.713	10	20	CDCD	
COc1cc(Cl)cc(CNCC[C@H](C)O)c1O	228674645	WDCIHWVGVKEEIC-QMMMGPOBSA-N	259.733	1.915	10	20	CDCD	
CCn1nncc1CNCc1cc(Cl)cc(OC)c1O	529638188	HVZXIEKGZVJEAB-UHFFFAOYSA-N	296.758	1.955	10	20	CDCD	
C[C@H](NCc1ccc2c(c1)CCO2)c1nnnn1C1CC1	190546751	PAJMQQPGKHRYRJ-JTQLQIEISA-N	285.351	1.794	10	20	CDCD	
CC[C@@H](C(=O)O)N(C)Cc1ccc(N2CCOCC2)cc1	191426818	PGZFNGMGLNWBRA-HNNXBMFYSA-N	292.379	1.818	10	20	CDCD	
COC(=O)[C@H]1C[C@H](OC)CCN1Cc1cc(C)ccc1O	360001062	UUEBECTUSZWAMS-ZIAGYGMSSA-N	293.363	1.853	10	20	CDCD	
CO[C@@H](C)CCNC(=O)/C=C/c1ccc(O)c(O)c1	272346198	AHSXXEMPYMSPDP-RWCYGVJQSA-N	265.309	1.652	10	20	CDCD	
O=C(O)c1cc(O)ccc1NS(=O)(=O)CCCCF	287339163	WPCKOEBFZZCFIS-UHFFFAOYSA-N	291.300	1.582	10	20	CDCD	
COCCCN(C)CC(=O)NCc1ccc(N(C)C)cc1	299249778	BRSXQPZEDFBKQW-UHFFFAOYSA-N	293.411	1.337	10	20	CDCD	
COc1cccc(CN2C[C@H](C)C[C@@H](CO)C2)c1O	817412331	IVTSJGNFRZOJHG-VXGBXAGGSA-N	265.353	1.851	10	20	CDCD	
COc1cccc(O)c1CN1C[C@@H](CO)C[C@@H](C)C1	817412268	HMOXKOWUZKHURU-NEPJUHHUSA-N	265.353	1.851	10	20	CDCD	
C[C@@H](NC(=O)CN1CCOC1=O)c1ccccc1O	827956494	MNGHZYFEHYGNEX-SECBINFHSA-N	264.281	1.022	10	20	CDCD	
O=C(NCCCSc1nccs1)[C@@H](O)C1CC1	827474596	FYYBWDCEMLHMME-VIFPVBQESA-N	272.395	1.512	10	20	CDCD	
CCOc1ccc(CN(C)[C@H](C)C(=O)O)c(O)c1	820387623	VHXAEZSOBOVHSF-SECBINFHSA-N	253.298	1.696	10	20	CDCD	
COc1ccc2c(c1)CCCN2C[C@H](O)Cn1cccn1	730079953	JMGNPYSQSRQPBQ-AWEZNQCLSA-N	287.363	1.705	10	20	CDCD	
C[C@@H]1CSC[C@@H]1NC(=O)c1c(F)ccc(O)c1O	831867193	WYDGMJGZBQWTHY-SVRRBLITSA-N	271.313	1.718	10	20	CDCD	
Cc1ccc(C(=O)N2CC(C)(C)[C@@H]3COC[C@@H]32)c(O)c1O	837182024	LVVIEAVGIXLCPS-NEPJUHHUSA-N	291.347	1.903	10	20	CDCD	
C/C=C/C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1	837704047	FDGWJHJHZCQLCS-NSCUHMNNSA-N	296.317	1.994	10	20	CDCD	
CCOc1ccc(CNC[C@](C)(O)COC)c(O)c1	732672460	JJTBIMPAGGNLDE-AWEZNQCLSA-N	269.341	1.278	10	20	CDCD	
CCOC(=O)[C@H](CC)C(=O)NCCc1ccc(O)c(O)c1	839713120	UGKMNGLSAAVUQS-LLVKDONJSA-N	295.335	1.346	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2C[C@H](C)N[C@H](C)C2)c1O	843049206	JMDMXOCAVYBGGN-AOOOYVTPSA-N	295.339	1.491	10	20	CDCD	
CN(C)c1ccc([C@@H](N)CNC(=O)[C@@H](N)C(C)(C)C)cc1	841845622	BBLFAXRIRAQYKK-UONOGXRCSA-N	292.427	1.242	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2C[C@@H](C)N[C@H](C)C2)c1O	843049207	JMDMXOCAVYBGGN-NXEZZACHSA-N	295.339	1.491	10	20	CDCD	
CCN(C)C(=O)CN1CCCc2cc(OC)ccc21	915216273	WXHSTXWOEVVHLZ-UHFFFAOYSA-N	262.353	1.926	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)NC[C@@H](C)CN)cc1	841718751	ASJAQGXAPVUEIQ-ZDUSSCGKSA-N	292.427	1.927	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1CCNC(=O)[C@H]1C	840912587	KDINBYUAGZQNFY-GFCCVEGCSA-N	261.369	1.381	10	20	CDCD	
C[C@H](CCN)NC(=O)NCCCSc1nccs1	841857935	RPTPMPJNNMNEMK-SECBINFHSA-N	288.442	1.662	10	20	CDCD	
COc1cc(O)c(CN2CCO[C@H](CF)C2)cc1OC	840172476	RASRXEOXDRAYRZ-LLVKDONJSA-N	285.315	1.580	10	20	CDCD	
CO[C@@H](CNC(=O)C(=O)Nc1ccc(N)cc1)C(C)(C)C	841057951	SXLDHJCIUDSLIE-LBPRGKRZSA-N	293.367	1.385	10	20	CDCD	
COCCOCCCNC(=O)c1cc(O)cs1	854294171	WHWIFQAIXJRRDM-UHFFFAOYSA-N	259.327	1.237	10	20	CDCD	
COc1ccc(N2CC[C@@H](NC(=O)[C@@H](C)C(=O)O)C2)cc1	851695601	GRIHRTIKJVFJCK-GHMZBOCLSA-N	292.335	1.111	10	20	CDCD	
CN(C)c1cc(F)c(CNCC2(CC(N)=O)CC2)cc1F	858180374	SKPKDBSOXOENEB-UHFFFAOYSA-N	297.349	1.776	10	20	CDCD	
CCCC[C@H](OC(=O)c1cccc(O)c1O)C(=O)OC	758560094	UZKFIJNTUSKNNC-NSHDSACASA-N	282.292	1.986	10	20	CDCD	
C[C@@H](NC(=O)NCCC(C)(C)O)c1ccccc1O	868517232	TUGPILZOMVRFFM-SNVBAGLBSA-N	266.341	1.913	10	20	CDCD	
CCN(CC(N)=O)Cc1cc(F)c(N(C)C)cc1F	862340540	TVVHNXFSEOTCSL-UHFFFAOYSA-N	271.311	1.338	10	20	CDCD	
CCN(C)c1ccc([C@H](C)NC[C@]2(O)CCN(C)C2)cc1	762790201	YJJWXLFGLTYPOQ-WMLDXEAASA-N	291.439	1.860	10	20	CDCD	
CCOC(=O)c1[nH]ncc1/C=C1\SC(=S)NC1=O	1116247778	CGWLIUQAKMXGPK-UTCJRWHESA-N	283.334	1.075	10	20	CDCD	
CC(=O)N(C)C1CCN(C(=O)c2cccc(O)c2O)CC1	776341295	IHFHFTLMMDVADM-UHFFFAOYSA-N	292.335	1.181	10	20	CDCD	
CNC(=O)c1cccc(C(=O)NCc2ccccc2O)n1	1116279304	LDGUTWFDBRFDOX-UHFFFAOYSA-N	285.303	1.077	10	20	CDCD	
Cc1nnc(CNC(=O)/C=C/c2ccc(O)c(O)c2)o1	779500432	PRGUWRURVDRCLQ-HWKANZROSA-N	275.264	1.119	10	20	CDCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)OC2CCCC2)c1	771933949	NJLGNAMQASVREG-UHFFFAOYSA-N	299.348	1.863	10	20	CDCD	
Cc1ccc(C(=O)N2CCCC(=O)[C@H]2C)c(O)c1O	885049214	HOEDVQDFYCCJSN-SECBINFHSA-N	263.293	1.600	10	20	CDCD	
CC(=O)NCCCN[C@H](C)c1c(O)cccc1F	886497235	YADJPXDBFAYENH-SECBINFHSA-N	254.305	1.708	10	20	CDCD	
CCOC(=O)C1(C(=O)NCc2ccc(O)c(O)c2)CCC1	778916905	RAOLXUHGXGYWPP-UHFFFAOYSA-N	293.319	1.447	10	20	CDCD	
COc1cccc(O)c1CN(C)CC1(O)CCOCC1	783714744	BIENSASSVBUBIO-UHFFFAOYSA-N	281.352	1.374	10	20	CDCD	
Nc1ccc(OCc2cn([C@H]3CCCC[C@@H]3O)nn2)cc1	881404429	KRUKFAFTGHJUIR-GJZGRUSLSA-N	288.351	1.915	10	20	CDCD	
COC(=O)[C@@H](C)CN(C)Cc1ccc(OC)c(OC)c1O	891716940	BJDQTUXFNMETOQ-JTQLQIEISA-N	297.351	1.650	10	20	CDCD	
OC[C@@H](Oc1ccccc1O)[C@H](O)c1ccc(O)c(O)c1	91691837	DOHRKVZLQIYIMC-HUUCEWRRSA-N	292.287	1.277	10	20	CDCD	
COc1ccc(CN2CC([C@H]3CCOC3)C2)c(O)c1OC	894148753	LVERZABNVZRZIK-LBPRGKRZSA-N	293.363	1.878	10	20	CDCD	
COC[C@H](NCc1cc(C)c(C)cc1O)C(=O)OC	789571741	ABIPIEZILQOTAD-LBPRGKRZSA-N	267.325	1.287	10	20	CDCD	
C[C@H](N[C@@H]1CCOC[C@H]1O)c1cc(F)ccc1O	706772677	AVJIAQPCSSBWSX-RLCGTCKNSA-N	255.289	1.332	10	20	CDCD	
O=C(NCC[C@H]1CCCCO1)c1cccc(O)c1O	193157999	YEWBPSCWARKJCB-SNVBAGLBSA-N	265.309	1.787	10	20	CDCD	
COc1ccc(CNC(=O)NCCOC2CCC2)c(O)c1	792963642	CCCAYDZCFMUJKN-UHFFFAOYSA-N	294.351	1.769	10	20	CDCD	
C[C@H](CNC(=O)c1cccc(O)c1O)CC1(C)OCCO1	715926670	KTJWKGJUVLCGNN-JTQLQIEISA-N	295.335	1.617	10	20	CDCD	
COC(=O)[C@@H](C)NCc1ccc(Br)cc1O	691451448	BKFWGVQHZJZNTO-SSDOTTSWSA-N	288.141	1.806	10	20	CDCD	
CCn1ncnc1CNCc1cc(F)c(N(C)C)cc1F	1334900999	AKMMWEPVYUCOPW-UHFFFAOYSA-N	295.337	1.932	10	20	CDCD	
C[C@H](O)[C@@H](NCc1cc(Cl)cc(Cl)c1O)C(=O)O	1333188717	XJRJEGNZDCHYFJ-SSDLBLMSSA-N	294.134	1.623	10	20	CDCD	
CN(C)[C@H]1CCCN(C(=O)NCc2ccc(N)cc2)C1	1337079120	VVAGDBWPVYLTRD-AWEZNQCLSA-N	276.384	1.504	10	20	CDCD	
CCCc1n[nH]cc1C(=O)NCCc1ccc(O)c(O)c1	1255131947	DHNOPRQEGIKABE-UHFFFAOYSA-N	289.335	1.746	10	20	CDCD	
Cc1cnn([C@H]2CCN(C(=O)NCc3ccc(N)cc3)C2)c1	1337070112	JLSZUNOWDBJMEO-HNNXBMFYSA-N	299.378	1.930	10	20	CDCD	
O=C(NCc1cc(Cl)ccc1O)[C@@]1(F)CCOC1	1346306646	NQJOCIKRBLJHSM-GFCCVEGCSA-N	273.691	1.790	10	20	CDCD	
COCCn1cc(NC(=O)c2cc(O)cs2)ccc1=O	1350553348	PEOGZGYJTUIOHC-UHFFFAOYSA-N	294.332	1.514	10	20	CDCD	
CCCOC(=O)[C@H](C)N(C)c1ccc(OCC(=O)O)cc1	1609980363	XOWAFNSDYDMFIG-NSHDSACASA-N	295.335	1.928	10	20	CDCD	
CC[C@@H](C)[C@@H](NC(=O)CN(C)c1ccc(N)cc1)C(=O)O	1594887180	JQYRUSVPRVLXTH-QMTHXVAHSA-N	293.367	1.321	10	20	CDCD	
C[C@H](N[C@H]1C[C@H](O)C1)c1cc(C(=O)O)ccc1O	1593360526	SURDIQCBWLYLGC-HGNGGELXSA-N	251.282	1.264	10	20	CDCD	
CN(C)c1ccc(CNc2cc(-c3nn[nH]n3)ncn2)cc1	1591032423	LSUJERKDCUTPLG-UHFFFAOYSA-N	296.338	1.335	10	20	CDCD	
C[C@H](C(=O)O)N(C)Cc1ccc(N2CCC(O)CC2)cc1	1599886780	HKDDDZWYKQEWRE-GFCCVEGCSA-N	292.379	1.553	10	20	CDCD	
CC[C@@H](C)CS(=O)(=O)NCc1cccc(OC)c1O	151302195	ZKEVEBYNVRFRGT-SNVBAGLBSA-N	287.381	1.866	10	20	CDCD	
CCCOc1ccc(CN2CCC[C@H](C(N)=O)C2)c(O)c1	155029989	PORJMKGNSKHKNS-ZDUSSCGKSA-N	292.379	1.878	10	20	CDCD	
CCNC(=O)CCC(=O)N[C@H](C)c1cc(OC)ccc1O	153925348	HCWLHYPSAPYSNG-SNVBAGLBSA-N	294.351	1.494	10	20	CDCD	
CC1(C)CNCC[C@H]1NC(=O)Cc1ccc(N)cc1	834858833	XNYZQMQPLSPOGT-CYBMUJFWSA-N	261.369	1.316	10	20	CDCD	
Cc1ccc(CNCCOC[C@H]2CCCO2)c(O)c1	877045096	PNIJIUZFVQCZTH-CQSZACIVSA-N	265.353	1.986	10	20	CDCD	
Cc1cccc(O)c1CNCCN1CCSCC1	877149579	CZORXHLDQUBMKE-UHFFFAOYSA-N	266.410	1.839	10	20	CDCD	
Cc1ccc(CNC[C@@H]2CCCS2(=O)=O)c(O)c1	877112479	WBAFKFQJQHIYJJ-LBPRGKRZSA-N	269.366	1.367	10	20	CDCD	
C[C@H](NC[C@@H]1CCS(=O)(=O)C1)c1ccccc1O	38082635	FHBGCKWSUQTKMO-QWRGUYRKSA-N	269.366	1.478	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NCc2cncn2C)c1	271760607	ASLANIZSYWSNFL-SNVBAGLBSA-N	261.325	1.985	10	20	CDCD	
Cc1c([C@@H](C)NC(=O)Cc2ccc(N)cc2)cnn1C	37001393	RNDNCDJZAIPCGT-SNVBAGLBSA-N	272.352	1.731	10	20	CDCD	
Nc1ccc(CN(C2CC2)[C@@H]2CCS(=O)(=O)C2)cc1	38084955	KLYLTQIDLDWSGQ-CQSZACIVSA-N	280.393	1.420	10	20	CDCD	
COc1cc(Cl)cc(CNC[C@@]2(O)CCOC2)c1O	184710582	LGRBPFKFAWODMV-ZDUSSCGKSA-N	287.743	1.295	10	20	CDCD	
C[C@H]1CSC[C@H]1NCc1cc2c(cc1O)OCO2	397964295	JJBFMYITOIOIAQ-WCBMZHEXSA-N	267.350	1.962	10	20	CDCD	
Nc1ccc(CC(=O)N[C@@H]2C[C@H]2C(F)(F)F)cc1	877220788	JMAQIBKMNXXUCM-NXEZZACHSA-N	258.243	1.878	10	20	CDCD	
CCCCN(CC(N)=O)C(=O)c1ccc(C)c(O)c1O	179429112	QYQQEQKFDFLXHM-UHFFFAOYSA-N	280.324	1.134	10	20	CDCD	
COc1ccc(O)c(CNC(=O)NC[C@]2(C)CCCO2)c1	128510715	ZWVSGJBOAPWTHB-HNNXBMFYSA-N	294.351	1.769	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H](C)n2cncn2)c1	171483748	NPOBUYCZZBLILF-VHSXEESVSA-N	290.323	1.431	10	20	CDCD	
Cc1ccc(C(=O)NCCn2ccnc2)c(O)c1O	181964686	NPRASGMUYATBON-UHFFFAOYSA-N	261.281	1.033	10	20	CDCD	
O=C(NC1(CO)CCCC1)c1cccc(O)c1O	126617420	XJMACVJZBVQSLB-UHFFFAOYSA-N	251.282	1.133	10	20	CDCD	
COc1ccc(O)c([C@H](C)N[C@H](C)c2nnnn2C)c1	189844607	GBMWMSUQKBZLOW-DTWKUNHWSA-N	277.328	1.336	10	20	CDCD	
Cc1ccc(O)c([C@@H](C)NCC2(C(N)=O)CCOCC2)c1	185002559	FWRIRLDZRFLZDE-GFCCVEGCSA-N	292.379	1.633	10	20	CDCD	
O=C1OC[C@H]2CN(Cc3cc(Cl)ccc3O)CCN12	378344836	DAMYFQIKNKKCHG-LLVKDONJSA-N	282.727	1.682	10	20	CDCD	
CC(=O)c1cc(F)cc(CN(C)[C@H](C)CO)c1O	135614301	IUJALTQBBYXESN-MRVPVSSYSA-N	255.289	1.547	10	20	CDCD	
COc1ccc(O)c([C@H](C)NCc2nccc(N)n2)c1	182424103	ODGVRJQFEXHLBC-VIFPVBQESA-N	274.324	1.624	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc[nH]c1	186384830	MGAXYGBBROXLBV-SECBINFHSA-N	260.293	1.787	10	20	CDCD	
CN1CCN(C)[C@@H](CNCc2cccc(Cl)c2O)C1	224811521	BIWOAIXNJZNAJX-LBPRGKRZSA-N	283.803	1.381	10	20	CDCD	
CC(C)CNC(=O)CN[C@@H](C)c1ccccc1O	135719502	GBSAZEPEPGHATL-NSHDSACASA-N	250.342	1.815	10	20	CDCD	
COc1ccc(N2CCCN(S(C)(=O)=O)CC2)cc1	48673371	WOUSYVRTQKPTQO-UHFFFAOYSA-N	284.381	1.167	10	20	CDCD	
C[C@H](C[S@@](C)=O)N(C)C(=O)/C=C/c1ccc(O)c(O)c1	274322071	AUJGQQJWKOADPH-NORUPOMZSA-N	297.376	1.336	10	20	CDCD	
O=CN1CCC(NCc2ccc(N3CCCC3)cc2)CC1	278153667	AJVKDWZJSRDARI-UHFFFAOYSA-N	287.407	1.997	10	20	CDCD	
CN(C)c1ccc(CNCC2([S@](C)=O)CC2)cc1F	282220012	DWEPSKKPZPMXBF-IBGZPJMESA-N	284.400	1.892	10	20	CDCD	
CCC(CC)(CCO)NC(=O)c1cccc(O)c1O	282629583	ATOAUQIMHXNQBJ-UHFFFAOYSA-N	267.325	1.769	10	20	CDCD	
CCOc1cccc(CN[C@]2(C)CCOC2=O)c1O	289746586	HVHJRIHHYVEHDF-CQSZACIVSA-N	265.309	1.586	10	20	CDCD	
COCCc1nc(CN(C)c2ccc3c(c2)OCO3)no1	289432858	XWNGDGXCCLSOSL-UHFFFAOYSA-N	291.307	1.624	10	20	CDCD	
CC[C@@H](NCCCn1cc(CO)nn1)c1ccccc1O	289612156	DCYNGZSAAZHRBL-CQSZACIVSA-N	290.367	1.607	10	20	CDCD	
Cn1ccc(CN2C(=O)CN(Cc3ccccc3O)C2=O)c1	819167791	HREKBYSWFIJFQB-UHFFFAOYSA-N	299.330	1.695	10	20	CDCD	
O=C(N[C@@H]1CCN2CCC[C@@H]2C1)c1c(F)ccc(O)c1O	825481483	KQVKRGZCWREKCO-NXEZZACHSA-N	294.326	1.594	10	20	CDCD	
CCN(CC)c1ccc(CN(C)C(=O)CNC)cc1	826019379	DSTVLANUXJXJRQ-UHFFFAOYSA-N	263.385	1.711	10	20	CDCD	
COCCS(=O)(=O)CCCSc1nccs1	727690664	NWOWGJPTMGSLOZ-UHFFFAOYSA-N	281.424	1.687	10	20	CDCD	
NC(=O)COc1cccc(NC(=O)c2cc(O)cs2)c1	732265897	LFFJTBFMLJKQAX-UHFFFAOYSA-N	292.316	1.570	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)CN(C)C(=O)C1CC1	733359982	JOQUYTQGADARDI-UHFFFAOYSA-N	276.336	1.219	10	20	CDCD	
CC[C@@H](C)C[C@@H](CO)NC(=O)c1cc(O)cs1	844150169	XKJXIRHVAQJKAO-BDAKNGLRSA-N	257.355	1.981	10	20	CDCD	
CN(C)C1(CNC(=O)/C=C/c2ccc(O)c(O)c2)CC1	841455167	KGNOJJKSWVIQOS-GQCTYLIASA-N	276.336	1.321	10	20	CDCD	
CCC[C@@H](O)[C@@H](CO)NCc1c(O)cccc1Cl	842224283	BRXZQLNCDVTQRK-DGCLKSJQSA-N	273.760	1.657	10	20	CDCD	
Cn1ccnc(NCCCSc2nccs2)c1=O	742407760	ZOESTHMGDXKOON-UHFFFAOYSA-N	282.394	1.831	10	20	CDCD	
CCNCC(=O)NC1CCN(c2ccc(OC)cc2)CC1	844181534	UHKDDUJBIYTVCG-UHFFFAOYSA-N	291.395	1.390	10	20	CDCD	
C[C@H](CNCc1c(O)ccc(Cl)c1F)C(=O)O	848640177	OQAFOPXLYGDRMU-ZCFIWIBFSA-N	261.680	1.995	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H](C)N)c1	841990325	ZLWUEWULXQLPEI-RKDXNWHRSA-N	267.329	1.108	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NC[C@H]2CCCNC2)cc1	841656230	XQUSVKJLJWECHG-AWEZNQCLSA-N	290.411	1.551	10	20	CDCD	
CN(C)c1ccc(CN(CC2(CO)COC2)C2CC2)cc1	757390713	ZMYFAUFACBGMRW-UHFFFAOYSA-N	290.407	1.726	10	20	CDCD	
NC(=O)[C@H](NCc1ccc2c(c1)CCCO2)c1ccccn1	922153355	RJOWNVIMBWXIBE-MRXNPFEDSA-N	297.358	1.723	10	20	CDCD	
Cc1ccc([C@@H](C)NCCN2CC[C@H](O)C2)c(O)c1	858602426	ZBQVFSRYWWYXPX-OLZOCXBDSA-N	264.369	1.418	10	20	CDCD	
OC1CCN(c2ccc(CNC[C@H]3CCOC3)cc2)CC1	850405849	HKWBAAXTIDPBQU-OAHLLOKOSA-N	290.407	1.774	10	20	CDCD	
CCOc1ccc(CN(CC)CC(=O)NC)c(O)c1	768301705	IUPWZGHLOJGFBW-UHFFFAOYSA-N	266.341	1.359	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)OCC(=O)[C@H]1CCOC1	762924000	JLLOQZAPZJKHIK-FWEMWIAWSA-N	292.287	1.260	10	20	CDCD	
C[C@@H](NC(=O)[C@@H]1C[C@]12CCNC2)c1ccccc1O	870988076	FWWTUPFGTURDHP-GMXABZIVSA-N	260.337	1.569	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NCCc1cnccn1	779544041	HBZAUFFCEXEWIM-DUXPYHPUSA-N	285.303	1.260	10	20	CDCD	
C[C@H](NC(=O)Cc1cnn(C)c1)c1ccc(N(C)C)cc1	773010393	UMGVRVVNUQQVAV-LBPRGKRZSA-N	286.379	1.906	10	20	CDCD	
COc1cc(O)c(CNCCc2cnccn2)cc1OC	776256890	SINBTYHADISBIB-UHFFFAOYSA-N	289.335	1.532	10	20	CDCD	
CN1CCN(c2ccc(CNc3ncc(O)cn3)cc2)CC1	1120958231	LOEYQCZPUBZZGZ-UHFFFAOYSA-N	299.378	1.546	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N2C[C@H]3C[C@@H]3C2)cc1	887634416	QHMKVTJMXYERGO-CHWSQXEVSA-N	259.353	1.914	10	20	CDCD	
COC[C@](C)(NCc1c(O)ccc(Cl)c1F)C(=O)O	789904223	SMIUPADCERHLHW-LBPRGKRZSA-N	291.706	1.764	10	20	CDCD	
O=C(COC(=O)[C@@H]1C[C@H]2CC[C@H]1O2)c1ccc(O)c(O)c1	783673492	PNKGJGVVQSKDIJ-GPCCPHFNSA-N	292.287	1.391	10	20	CDCD	
C[C@@H](NC(=O)NCc1ccc(N2CCCC2)cc1)C(=O)O	780399379	WHASCILSLPISSY-LLVKDONJSA-N	291.351	1.559	10	20	CDCD	
COCC1(C)CN(Cc2ccc(OC)c(OC)c2O)C1	894839073	AUIGHSULIQUQRV-UHFFFAOYSA-N	281.352	1.878	10	20	CDCD	
C=CC(=O)N(CC)CC(=O)NCc1ccc(N(C)C)cc1	899984222	YFRMFNNGDDGCAF-UHFFFAOYSA-N	289.379	1.403	10	20	CDCD	
COC[C@H](CO)N[C@@H]1C[C@H](C)c2c(F)ccc(O)c21	794833459	DSCRKWDPZLRXQX-ATZCPNFKSA-N	269.316	1.677	10	20	CDCD	
CC(=O)OC[C@@H](C)NCc1ccc(N(C)C)c(F)c1	892737946	PLVWJKJROUMGBH-SNVBAGLBSA-N	268.332	1.933	10	20	CDCD	
COc1ccc(CNC(=O)c2n[nH]c3c2CCC3)c(O)c1	794378146	CZRQPSZYFODXSG-UHFFFAOYSA-N	287.319	1.543	10	20	CDCD	
COC(=O)CC1CCN(C(=O)c2cccc(O)c2O)CC1	790569337	VCJGQWAVCFOFGR-UHFFFAOYSA-N	293.319	1.513	10	20	CDCD	
COc1ccc(CNC(=O)CN2CCC(C)CC2)c(O)c1	794387950	PRUTXEFQRHFXGW-UHFFFAOYSA-N	292.379	1.749	10	20	CDCD	
C[C@H]1C[C@H](NC(=O)Cc2ccc(N)cc2)C[C@@H](C)O1	694791995	XALJMEUNESUCCH-GNXNZQSNSA-N	262.353	1.884	10	20	CDCD	
CCOC(=O)[C@@H]1CNCCN1Cc1cccc(Cl)c1O	1329428915	VHYRIQMIQYOBCR-LBPRGKRZSA-N	298.770	1.383	10	20	CDCD	
Nc1ccc(NC(=O)N2CCC3(CCNC3=O)CC2)cc1	1261903533	BIXWLWCLJXYQSO-UHFFFAOYSA-N	288.351	1.403	10	20	CDCD	
C[C@@H]1CCOCCN1C(=O)NCc1ccc(N)cc1	1357790551	CXPHXBFEBLNBLV-LLVKDONJSA-N	263.341	1.589	10	20	CDCD	
COc1cc(N2CCC(O)CC2)c([N+](=O)[O-])cc1OC	213746331	IPDAGBUWHUOHHW-UHFFFAOYSA-N	282.296	1.573	10	20	CDCD	
CC(=O)NC1CCC(C(=O)NCc2ccc(N)cc2)CC1	1515333538	SMZSWUYGCXFTQG-UHFFFAOYSA-N	289.379	1.580	10	20	CDCD	
O=C(O)[C@H]1[C@@H](O)CCCN1Cc1cc(F)c(F)cc1O	1608597765	YQNZDFINMRJWRL-CMPLNLGQSA-N	287.262	1.080	10	20	CDCD	
CCN(C)c1ccc(CNC2(C(=O)O)CCOCC2)cc1	1605410731	HYDMFRZVGRWHPO-UHFFFAOYSA-N	292.379	1.866	10	20	CDCD	
CS(=O)(=O)CCCNCc1cc(F)ccc1O	226606769	NMLFSSKTLYRYBS-UHFFFAOYSA-N	261.318	1.056	10	20	CDCD	
O=C(NCc1ccccc1O)[C@@]1(C(F)(F)F)CCNC1	228422563	JBCVTKLTPRTOHW-GFCCVEGCSA-N	288.269	1.550	10	20	CDCD	
C[C@@H]1CN(Cc2cc(F)ccc2O)C[C@@H](C(=O)O)O1	1599866751	QCDZZISOEINPKZ-PELKAZGASA-N	269.272	1.205	10	20	CDCD	
O=C(O)[C@]1(NCc2ccc3c(c2)CCO3)CC[C@H]2C[C@@H]21	1777600136	JAKQKQKUNNVSFL-RBOXIYTFSA-N	273.332	1.964	10	20	CDCD	
COc1ccc(N2CCN(C[C@@H]3CCCNC3)CC2)cc1	19505155	MTVIXVMVXRKZNV-OAHLLOKOSA-N	289.423	1.817	10	20	CDCD	
CN1C(=O)C(=Cc2coc3ccccc23)C(=O)N(C)C1=O	160185356	YMXKQDPPIUMICR-UHFFFAOYSA-N	284.271	1.867	10	20	CDCD	
CCn1nccc1/C=C1/SC(N2CCOCC2)=NC1=O	152624812	ZHGXUMNRJNHGBE-PKNBQFBNSA-N	292.364	1.206	10	20	CDCD	
COc1cccc(O)c1CN[C@H](CO)CC(F)F	883104097	OZMNZHQOPLIMLI-QMMMGPOBSA-N	261.268	1.507	10	20	CDCD	
COc1ccc(O)c(CNCCNC(=O)C(C)C)c1	20125488	FQBKAHOVKJTUJR-UHFFFAOYSA-N	266.341	1.263	10	20	CDCD	
CCCN(CC)CCNC(=O)c1cccc(O)c1O	193119441	WIDRGCXXIWJEEU-UHFFFAOYSA-N	266.341	1.560	10	20	CDCD	
COC(C)(C)CN(C)Cc1cc2c(cc1O)OCO2	404271526	LGSIJIZDXCSXQS-UHFFFAOYSA-N	267.325	1.978	10	20	CDCD	
CCn1cc(CNCc2cc(Cl)cc(OC)c2O)nn1	404440881	WPZVIUMUUBIIED-UHFFFAOYSA-N	296.758	1.955	10	20	CDCD	
Cc1ccc(O)c([C@H](C)N[C@H]2CCCN(C)C2=O)c1	704339052	IHGIBBXIFDQHJI-AAEUAGOBSA-N	262.353	1.972	10	20	CDCD	
C[C@@H](CO)NC(=O)NCc1ccc(N(C)C)c(F)c1	57647516	WDHCTERSLCZOKW-VIFPVBQESA-N	269.320	1.072	10	20	CDCD	
CCCNC(=O)CN[C@@H](C)c1ccc(F)cc1O	62745914	LTJAKRMAIJNQGO-VIFPVBQESA-N	254.305	1.708	10	20	CDCD	
CCOc1cccc(CN2CCC[C@@H]2C(=O)N(C)C)c1O	122654492	UPKPHKKTZWWONP-CYBMUJFWSA-N	292.379	1.844	10	20	CDCD	
C[C@H](NCCNC(=O)c1ccn[nH]1)c1cc(F)ccc1O	186511547	LSRRULVBWLPEGY-VIFPVBQESA-N	292.314	1.335	10	20	CDCD	
Cc1noc(CCC(=O)NCc2ccc(N(C)C)cc2)n1	76176049	QOUZLQVZSVULJL-UHFFFAOYSA-N	288.351	1.693	10	20	CDCD	
COCCCN(C)Cc1ccc(N2CCOCC2)cc1	76549261	JAHCKTIBMKVUPX-UHFFFAOYSA-N	278.396	1.992	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CCC3(C2)OCCO3)c1O	175639922	KLWTWTPMAYZUFV-UHFFFAOYSA-N	295.310	1.683	10	20	CDCD	
COCCN1CC[C@H](NCc2cccc(OC)c2O)C1	264653341	XLLRRLMRWYETEJ-ZDUSSCGKSA-N	280.368	1.211	10	20	CDCD	
Cc1cc(O)c(CNCC2(O)CCN(C)CC2)cc1C	266140008	GVIKZCYMVWRKGU-UHFFFAOYSA-N	278.396	1.555	10	20	CDCD	
CCOCCO[C@H](C)C(=O)NCc1cccc(OC)c1O	264249907	GDMHSTYUSICFDE-LLVKDONJSA-N	297.351	1.459	10	20	CDCD	
CCOc1cccc(CN(CCO)C(C)C)c1O	271041614	OJFSKSGZGYHCKP-UHFFFAOYSA-N	253.342	1.994	10	20	CDCD	
O=C(NCC[C@H]1CCCCO1)c1c(F)ccc(O)c1O	276659655	XWGQGOFJCDVKJC-SECBINFHSA-N	283.299	1.926	10	20	CDCD	
CC[C@@H](C(=O)OC)C(=O)N(C)Cc1ccc(N(C)C)cc1	276606425	IXSIISVETIRGQE-CQSZACIVSA-N	292.379	1.910	10	20	CDCD	
OC[C@@H]1[C@H]2CN(Cc3c(O)ccc(Cl)c3F)C[C@H]21	367826954	CSWBXHNPQDFFRR-MBTKJCJQSA-N	271.719	1.855	10	20	CDCD	
COc1cccc(CN(C)CCN(C)C2CC2)c1O	290290636	AJVMSUTXFFTYDB-UHFFFAOYSA-N	264.369	1.927	10	20	CDCD	
CC(=O)C(=O)COC(=O)c1ccc(Cl)cc1O	808487172	CHMWRXZWDSLJMC-UHFFFAOYSA-N	256.641	1.361	10	20	CDCD	
C[C@@H](C[C@@H]1COCCN1)NCc1ccc(N(C)C)c(F)c1	817898883	CCZYDYZHKDEHNO-GXTWGEPZSA-N	295.402	1.748	10	20	CDCD	
COc1cccc(O)c1CN1CC[C@@H](CCCO)C1	825336873	AGRLCJCNGGRILX-GFCCVEGCSA-N	265.353	1.995	10	20	CDCD	
OC[C@@]12C[C@@H]1CN(Cc1ccc(Br)cc1O)C2	825628966	OETXADPOSCURSY-MFKMUULPSA-N	298.180	1.969	10	20	CDCD	
CCOc1ccc(O)c(CN2CC[C@@H](CCN)C2)c1	904406730	VFXTUPASMMMCFD-GFCCVEGCSA-N	264.369	1.962	10	20	CDCD	
CN1CCC[C@H](CCNCc2cc3c(cc2O)OCO3)C1	839181903	KFPKGXKLILZNDX-GFCCVEGCSA-N	292.379	1.942	10	20	CDCD	
O=C(O)CN(Cc1ccccc1O)C(=O)C[C@H]1CCOC1	911487473	VTEOHLHCIZMMOA-LLVKDONJSA-N	293.319	1.232	10	20	CDCD	
COc1cccc([C@H](C)NCCS(C)(=O)=O)c1O	846141621	KXDSYORTIKHKPP-VIFPVBQESA-N	273.354	1.096	10	20	CDCD	
COc1ccc(CNC(=O)[C@@H](C(=O)O)C(C)C)c(O)c1	843332007	IBVDCSBGQUYEQS-LBPRGKRZSA-N	281.308	1.374	10	20	CDCD	
Cc1nnsc1CN(C)c1ccc(OCC(=O)O)cc1	846279398	BZWUOZIJLWSOSC-UHFFFAOYSA-N	293.348	1.946	10	20	CDCD	
Cn1cccc1CNC(=S)NCCc1ccccn1	743062148	SKXLLNOROXFIIV-UHFFFAOYSA-N	274.393	1.627	10	20	CDCD	
O=C(C[C@H]1CCCCO1)NCc1ccc(O)cc1O	910951926	YMPCGHSWRQASTF-GFCCVEGCSA-N	265.309	1.673	10	20	CDCD	
CC[C@H](C)[C@H](OC)C(=O)NCc1ccc(O)cc1O	910945477	AMPXBALUFKUCNW-ZANVPECISA-N	267.325	1.775	10	20	CDCD	
COc1cccc([C@H](C)NC[C@@H](O)C(F)(F)F)c1O	846146290	RHRINUFMGALMMO-OIBJUYFYSA-N	279.258	1.975	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CO[C@@H]2CCCNC2)cc1	844166956	VQSVDXNLZUWTFT-OAHLLOKOSA-N	291.395	1.137	10	20	CDCD	
COc1ccc(O)c(CNC[C@H]2CCCCN2)c1	841033347	RBUYBKCDRNTXTI-GFCCVEGCSA-N	250.342	1.633	10	20	CDCD	
C[C@H](CN)N(C)C(=O)NCc1ccc(N2CCCC2)cc1	841710582	ZEZFXCKJWMQIIN-CYBMUJFWSA-N	290.411	1.775	10	20	CDCD	
CC1=NO[C@H](CNC(=O)/C=C\c2ccc(O)c(O)c2)C1	854801403	YOYHYBOLWKCISW-MZBZXASESA-N	276.292	1.392	10	20	CDCD	
O=C(c1cc(O)cs1)N(CCOCCO)C1CCC1	855142708	WOIVRUKDCAYODJ-UHFFFAOYSA-N	285.365	1.457	10	20	CDCD	
CCC(CC)(CO)CNC(=O)c1cc(O)cs1	753833712	SIHNMQFRYQRFQY-UHFFFAOYSA-N	257.355	1.982	10	20	CDCD	
CC[C@H]1COCCN1Cc1cc2c(cc1O)OC[C@H]2O	768444998	DWWRVTICNCFLJY-SMDDNHRTSA-N	279.336	1.429	10	20	CDCD	
Cc1conc1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	867301586	BAHXQDXUIQOAPU-SECBINFHSA-N	276.292	1.755	10	20	CDCD	
COc1ccc(CNC(=O)[C@@H]2CCCN2C(C)C)c(O)c1	935770977	MYCLYFUSVZHLTP-AWEZNQCLSA-N	292.379	1.890	10	20	CDCD	
CCNC(=O)CCCC(=O)NCc1cc(C)ccc1O	862759750	IGZYDJVEASRDDL-UHFFFAOYSA-N	278.352	1.623	10	20	CDCD	
CCc1nnc(Sc2ncc(Cl)s2)n1N	765048751	CEEHHIZCRMIJLA-UHFFFAOYSA-N	261.763	1.815	10	20	CDCD	
Cc1cccc(O)c1CN1CCN(C(=O)C2CC2)CC1	876541643	DBLSGOUHWRRXQL-UHFFFAOYSA-N	274.364	1.755	10	20	CDCD	
Cc1ccc(CNC[C@H](CO)[C@H]2CCOC2)c(O)c1	877493424	BELFOWUIEMUKBX-UONOGXRCSA-N	265.353	1.435	10	20	CDCD	
Cc1cccc(O)c1CN(C)CC(C)(CO)CO	876748240	ZEZYUDWWDOQSII-UHFFFAOYSA-N	253.342	1.123	10	20	CDCD	
C[C@@H](N[C@H](C)c1ccccc1O)C(=O)NC(=O)NC1CC1	879648994	IRFHFZVBQAMANY-NXEZZACHSA-N	291.351	1.420	10	20	CDCD	
COc1ccc(O)c(CN[C@@H](C)COC(C)=O)c1	1120034143	YZIOKSMGTQLRIH-VIFPVBQESA-N	253.298	1.442	10	20	CDCD	
O=C(O)CCCCCNC(=O)NCc1c(O)cccc1F	1121899566	HJPPMHWGARJMCN-UHFFFAOYSA-N	298.314	1.976	10	20	CDCD	
C[C@H](NCCN1CCOC[C@H]1C)c1ccccc1O	783507648	CVYDOBVYQFQNRI-OLZOCXBDSA-N	264.369	1.764	10	20	CDCD	
CC[C@H](C[C@@H](C)CO)NC(=O)c1ccc(C)c(O)c1O	780982895	ISOZAXAPWZUTFJ-MWLCHTKSSA-N	281.352	1.933	10	20	CDCD	
CN(C)c1ccc(CN(CC(N)=O)C2CCOCC2)cc1	880395652	OXCKEEDDXWIGFQ-UHFFFAOYSA-N	291.395	1.219	10	20	CDCD	
C[C@H](NC(=O)c1cc(O)cs1)[C@H]1CCCOC1	780782741	UMBUCXOVUYCSNP-IUCAKERBSA-N	255.339	1.999	10	20	CDCD	
O=[N+]([O-])c1cc(Cl)cc(CNC[C@@H]2COCO2)c1O	894873289	QFIYLOATGVSDJY-SECBINFHSA-N	288.687	1.416	10	20	CDCD	
O=C(NCCCn1ccnc1)c1c(F)ccc(O)c1O	789939013	IIRDACGFAXQWPQ-UHFFFAOYSA-N	279.271	1.254	10	20	CDCD	
COc1cc(C)cc(CN2CC(=O)N(CC3CC3)C2)c1O	894594118	DVVMEHJNZBBDGY-UHFFFAOYSA-N	290.363	1.721	10	20	CDCD	
COc1cccc(CN2CC[C@@H](c3n[nH]c(C)n3)C2)c1O	895007909	PHMFLVLNQFGAEC-GFCCVEGCSA-N	288.351	1.817	10	20	CDCD	
CN1CCC(NCc2cc([N+](=O)[O-])ccc2O)CC1	83481559	BRKWFZGYBNVNEI-UHFFFAOYSA-N	265.313	1.484	10	20	CDCD	
COc1ccc(CN[C@@H](CO)CC(C)C)c(O)c1OC	892669029	OORFMWDRVXYDTM-GFCCVEGCSA-N	283.368	1.906	10	20	CDCD	
CCOc1cccc(CN[C@H](C)C[S@@](C)=O)c1O	168182234	FVYSBMCRWXJYIB-MGNBDDOMSA-N	271.382	1.648	10	20	CDCD	
COC(=O)[C@@H]1C[C@H](F)CN1C(=O)c1ccc(C)c(O)c1O	794215404	GLCRHOBCDQMEDE-WPRPVWTQSA-N	297.282	1.132	10	20	CDCD	
CC1(C)CN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C1	790238849	OVJOROJFJDDOQJ-UHFFFAOYSA-N	298.364	1.246	10	20	CDCD	
CC[C@H]1CN(Cc2cc3c(cc2O)OC[C@H]3O)CCCO1	799163880	OAMDSFCUXKIHLJ-SWLSCSKDSA-N	293.363	1.819	10	20	CDCD	
NC(=O)[C@H]1CCCN1Cc1ccc(N2CCCC2)cc1	1324439243	UUVICTWQBAPNRC-OAHLLOKOSA-N	273.380	1.737	10	20	CDCD	
CN(CCOCCN)Cc1ccc(N2CCCC2)cc1	1331846351	FNBNUIRYTWEOAZ-UHFFFAOYSA-N	277.412	1.694	10	20	CDCD	
CC1=NO[C@@](C)(C(=O)NCc2ccc(O)cc2O)C1	1339045761	NLHNKNBLBPANCL-CYBMUJFWSA-N	264.281	1.269	10	20	CDCD	
NC[C@H]1CN(Cc2ccc(N3CCCC3)cc2)CCCO1	1331417913	DQIISZWDGXHTTP-KRWDZBQOSA-N	289.423	1.836	10	20	CDCD	
CN(C[C@H]1CCOC1)c1nnc(-c2sccc2O)n1C	1338752796	ZSDOUNZQZZUVHD-SECBINFHSA-N	294.380	1.722	10	20	CDCD	
CC(=O)N(C)C1CCN(Cc2ccc(N)cc2)CC1	1262487593	YSTVSDGESVHOLU-UHFFFAOYSA-N	261.369	1.712	10	20	CDCD	
CC(=O)[C@H](C)CCOC(=O)c1cccc(O)c1O	1346757873	OGYILGDUMMQPPD-MRVPVSSYSA-N	252.266	1.870	10	20	CDCD	
O=C(O)[C@H]1CCC[C@H]1NCc1cc(F)ccc1O	1601807980	JPLXZSCGAPGRBT-WDEREUQCSA-N	253.273	1.874	10	20	CDCD	
C[C@H](NC1COC(C)(C)OC1)c1cc(C(=O)O)ccc1O	1609782348	ZJBBWDAFZCLEMB-VIFPVBQESA-N	295.335	1.893	10	20	CDCD	
Cc1cc(C(=O)O)nc(NCc2c(O)cccc2F)n1	1600128597	UGEKIMCITYOBLO-UHFFFAOYSA-N	277.255	1.940	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2cncc(C(=O)O)c2)cc1	1610105502	SIAKISVVDSIAOU-UHFFFAOYSA-N	299.330	1.776	10	20	CDCD	
CCCN(C(=O)c1cccc(O)c1O)[C@@H](C)C(=O)O	1595829988	HYNXBILUDIHXLK-QMMMGPOBSA-N	267.281	1.423	10	20	CDCD	
Cc1ccc(O)c([C@H](C)NCCN2CCNC2=O)c1	886745270	SJDCAIFCXHEINN-NSHDSACASA-N	263.341	1.376	10	20	CDCD	
CN1CCC(O)(CNCc2ccc(N(C)C)cc2)CC1	77450415	QHJADZUFHSKILB-UHFFFAOYSA-N	277.412	1.299	10	20	CDCD	
CNC(=O)Cc1nc(-c2ccc(O)c(O)c2)cs1	176939596	QYVYTPQSXMBDOF-UHFFFAOYSA-N	264.306	1.510	10	20	CDCD	
CN1CCCc2cc(CNC(=O)N3CCOCC3)ccc21	58516820	IGGBNQDUTJJPPY-UHFFFAOYSA-N	289.379	1.611	10	20	CDCD	
COc1cccc(CNC(=O)c2cn(C)cn2)c1O	179358900	AWYBOZQKDGWOCA-UHFFFAOYSA-N	261.281	1.064	10	20	CDCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]1C[C@H]1F	1263703394	RIIGVENJIHLALC-LSDHHAIUSA-N	292.354	1.840	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CCc2c[nH]cn2)cc1	188888721	KQFUOOYXOKYFBP-UHFFFAOYSA-N	272.352	1.725	10	20	CDCD	
Cc1cc(CNC(=O)/C=C/c2ccc(O)c(O)c2)on1	180980971	NMFCCWGBEYRMMW-HWKANZROSA-N	274.276	1.724	10	20	CDCD	
COc1cc(O)c(CNCCOCC(F)F)cc1OC	189003848	ONVOYUJSDCJEFF-UHFFFAOYSA-N	291.294	1.781	10	20	CDCD	
COCCN(CCO)Cc1c(O)cccc1Cl	130892240	HJZQJDBZDPZUCS-UHFFFAOYSA-N	259.733	1.486	10	20	CDCD	
COc1cccc(CN[C@@H](C)c2nnnn2C2CC2)c1O	191825068	UAWDGWYJRPKKMF-VIFPVBQESA-N	289.339	1.573	10	20	CDCD	
OC1(CNCc2ccc(N3CCOCC3)c(F)c2)CCC1	238141646	IWEHHXWOSXYOML-UHFFFAOYSA-N	294.370	1.667	10	20	CDCD	
CCOC[C@@H](O)CN1CCOc2cc(N(C)C)ccc21	181131319	WVYCDWNHGOVYOC-ZDUSSCGKSA-N	280.368	1.349	10	20	CDCD	
C[C@H](CCN(C)C)NC(=O)NCc1ccccc1O	263686824	FVBSUFFARIHPLV-LLVKDONJSA-N	265.357	1.532	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNC[C@@H](C)N(C)C)c1O	278478648	IVDFIVLAYOLCMI-SECBINFHSA-N	283.328	1.349	10	20	CDCD	
CN(CCc1cnccn1)Cc1cc2c(cc1O)OCO2	271295307	UNTVTNMJLFCIAS-UHFFFAOYSA-N	287.319	1.585	10	20	CDCD	
Cc1ccc(C(=O)N(C)CC(=O)OC(C)(C)C)c(O)c1O	272896417	ZVKLZLCHKHGWIL-UHFFFAOYSA-N	295.335	1.820	10	20	CDCD	
COc1cccc(CN2CC[S@](=O)[C@@H](C)[C@@H]2C)c1O	271189257	KWRVMLMRPMGUBG-ADWYPQAOSA-N	283.393	1.742	10	20	CDCD	
Cc1ccc(C(=O)NC2(CN(C)C)CCC2)c(O)c1O	281828380	WFPJUCGTVJJFIK-UHFFFAOYSA-N	278.352	1.620	10	20	CDCD	
C[C@@H](CC(N)=O)C(=O)NCc1ccc2c(c1)CCCN2C	282926812	FRAGOJQYQHLMIN-NSHDSACASA-N	289.379	1.197	10	20	CDCD	
CC(=O)C(=O)COC(=O)c1cc(-c2ccccc2)[nH]n1	808490743	IHGDYCPHDDUUGR-UHFFFAOYSA-N	272.260	1.392	10	20	CDCD	
CN(C)c1ccc(CNC[C@H]2CC[C@@H](CO)O2)cc1F	292711169	OROYQPVCTHMBHD-OLZOCXBDSA-N	282.359	1.521	10	20	CDCD	
COCCCCOC(=O)c1ccc(C)c(O)c1O	803328656	SKHUQSSHSBHRSR-UHFFFAOYSA-N	254.282	1.990	10	20	CDCD	
N[C@H]1CCC[C@@H]1NCc1ccc(N2CCOCC2)c(F)c1	817889795	VXPHQMWPHMWNCM-GJZGRUSLSA-N	293.386	1.632	10	20	CDCD	
Cc1cc(CN2CCOC[C@@H]2CCO)ccc1N(C)C	815079053	LOSRNPBMBRXKOA-HNNXBMFYSA-N	278.396	1.644	10	20	CDCD	
O=C(COc1cccnc1)NCc1ccccc1O	728071016	SLSUCTQOVQOGHE-UHFFFAOYSA-N	258.277	1.482	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CC2(CN)CC2)cc1	825973989	XICBFZOAYSQMAR-UHFFFAOYSA-N	261.369	1.498	10	20	CDCD	
C=CC(=O)N(CC)CC(=O)NCc1cc(OC)ccc1O	901129301	DDHCDKYYTMYYEP-UHFFFAOYSA-N	292.335	1.052	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC[C@@H]2CCNC(=O)CC2)c1	828682119	IRKYPAPFQJLGFI-NEPJUHHUSA-N	292.379	1.968	10	20	CDCD	
CN1C(=O)CCC[C@H]1C(=O)NCc1ccccc1O	907056586	OJKUEXHAROECRO-NSHDSACASA-N	262.309	1.019	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@@H](O)[C@H]1C	838478838	MQBAWOYLSGUTET-IUODEOHRSA-N	291.395	1.726	10	20	CDCD	
Cc1cc(C(=O)NCc2ccc(N(C)C)cc2)nn1C	917520972	HISMDFLWOAURPY-UHFFFAOYSA-N	272.352	1.725	10	20	CDCD	
C[C@H](N)[C@H](C)NC(=O)NCc1ccc2c(c1)CCCN2C	841758889	KUJCNJKTBALROG-RYUDHWBXSA-N	290.411	1.604	10	20	CDCD	
Cc1cc(O)c(CN2CC[C@H](N3CCNCC3)C2)cc1C	843123642	UCVXPVKFIAVALC-INIZCTEOSA-N	289.423	1.489	10	20	CDCD	
CNC[C@H]1CCCN(Cc2cccc(F)c2O)C1	843044995	PFWYXRNTHUELNE-LLVKDONJSA-N	252.333	1.963	10	20	CDCD	
CN(C)c1ccc(CNCc2nnn(C(C)(C)C)n2)cc1	848566208	ZBBRESRHFHJZMP-UHFFFAOYSA-N	288.399	1.784	10	20	CDCD	
COc1cccc([C@@H](C)N[C@@H]2C=C[C@H](CO)C2)c1O	846150864	RUWBSHGYHUEZAS-GRYCIOLGSA-N	263.337	1.988	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@H](CN)C2CC2)c1	841946107	GHLRDBBVKGOFSM-TVQRCGJNSA-N	293.367	1.498	10	20	CDCD	
CCO/C=C/C(=O)NCCc1ccc(O)c(O)c1	847589361	HPQKXIYZUZOMHK-SOFGYWHQSA-N	251.282	1.307	10	20	CDCD	
C[C@H]1CN[C@H](C)CN1C(=O)NCc1ccc(N(C)C)cc1	841653922	KTBKPURTTPCXBV-OLZOCXBDSA-N	290.411	1.644	10	20	CDCD	
O=C(NCc1c(O)ccc2c1CCCC2)[C@]1(O)CCOC1	840401752	FWGXMYAFFLOBPG-INIZCTEOSA-N	291.347	1.039	10	20	CDCD	
CN(C)[C@@H]1CCCN(C(=O)NCCc2ccc(N)cc2)C1	841956342	CREDVZGCMYEMQJ-OAHLLOKOSA-N	290.411	1.547	10	20	CDCD	
CO[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc(N)cc2)C1(C)C	841065085	MPYQPZNVFXVUNM-RYUDHWBXSA-N	291.351	1.137	10	20	CDCD	
CN(C)c1ccc([C@H](N)CNCC(C)(C)N)cc1	843126690	UHNXLSUHNRVOJI-CYBMUJFWSA-N	250.390	1.079	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)NCCC1CCNCC1	846210752	PFGAOXKYCJKNKS-UHFFFAOYSA-N	291.395	1.923	10	20	CDCD	
CON(C)C(=O)[C@@H](C)NCc1ccc(N(C)C)cc1	858325603	FPLYHHQCBVVBED-LLVKDONJSA-N	265.357	1.251	10	20	CDCD	
O=C1N[C@@H](C2CC2)C(=O)N1Cc1ccc(N2CC=CC2)cc1	761366089	XRWBFHKAQYQXMX-HNNXBMFYSA-N	297.358	1.893	10	20	CDCD	
CC[C@@H](N[C@@H]1COC[C@@H]1O)c1ccc(C)cc1O	866420580	PVUAAFKAZJJYQO-BZPMIXESSA-N	251.326	1.501	10	20	CDCD	
CCN(CC1CC1)S(=O)(=O)NCc1ccccc1O	766055213	PSEVLHGHSVVYDA-UHFFFAOYSA-N	284.381	1.459	10	20	CDCD	
CCOC(=O)NCC(=O)NCc1cc(C)ccc1O	862760422	SJNICAVUQUATIJ-UHFFFAOYSA-N	266.297	1.063	10	20	CDCD	
COc1cccc(CNC(=O)c2cnc3[nH]cnc3c2)c1O	764102592	RSADKNXYVCYPKL-UHFFFAOYSA-N	298.302	1.602	10	20	CDCD	
C/C=C/C(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)OCC	1119566869	GYJIFASRRLLDOV-TZNOJPMFSA-N	293.319	1.264	10	20	CDCD	
Cc1ccc(CN2CC(=O)N[C@H]3CCCC[C@H]32)c(O)c1	876652575	PYNGGXNCEIUKNV-UONOGXRCSA-N	274.364	1.944	10	20	CDCD	
Cc1cccc(O)c1CN1CCN(c2cnccn2)CC1	876589481	LWDMMHGAKIPXBX-UHFFFAOYSA-N	284.363	1.813	10	20	CDCD	
CC(=O)N1CCCC[C@H]1C(=O)N(C)c1ccc(N)cc1	877076626	RWXOXUSHTJTAQF-AWEZNQCLSA-N	275.352	1.633	10	20	CDCD	
C[S@](=O)CCCNCc1cccc(Cl)c1O	162664882	XTFBZENVRMTYHW-MRXNPFEDSA-N	261.774	1.904	10	20	CDCD	
CNC[C@@H]1CCCN(C(=O)NCc2ccc(N)cc2)C1	1120676899	FYXMFTKZCZDDHV-ZDUSSCGKSA-N	276.384	1.410	10	20	CDCD	
COC(=O)[C@H]1CCN(Cc2cc(OC)ccc2O)[C@H]1C	787421158	OBLBCNGZOHIZPP-GWCFXTLKSA-N	279.336	1.784	10	20	CDCD	
Cc1ccc(C(=O)NCCOC[C@H]2CCOC2)c(O)c1O	780935170	QTJMISSENBWIQW-NSHDSACASA-N	295.335	1.189	10	20	CDCD	
CCOCc1cc(CNC[C@@H]2COCO2)ccc1OC	894871366	BWGIIPRVHOTDBL-CQSZACIVSA-N	281.352	1.694	10	20	CDCD	
C[C@H](NC[C@H]1COCCO1)c1cc(F)ccc1O	94617777	BDASQGKJRDNOHA-ONGXEEELSA-N	255.289	1.597	10	20	CDCD	
C[C@@H]1CCN(CCNC(=O)NCc2ccccc2O)C1	892527084	ICLDZIYVBQZRJV-GFCCVEGCSA-N	277.368	1.533	10	20	CDCD	
COc1cc(C)cc(CNCCO[C@H]2CCOC2)c1O	897200066	PRMMLAZOCJXNIL-ZDUSSCGKSA-N	281.352	1.604	10	20	CDCD	
O=S1(=O)CCCC[C@H]1CNCc1ccc2c(c1)CCO2	694584270	MMKFIYFCAVOMNL-AWEZNQCLSA-N	295.404	1.678	10	20	CDCD	
COc1cccc(O)c1CN1CC[C@H](CN(C)C)C1	769403914	JSKDVANNAIHODQ-GFCCVEGCSA-N	264.369	1.784	10	20	CDCD	
CNCCCNCc1ccc(N2CCN(C)CC2)c(F)c1	1326075698	KXRNVGURRYETQV-UHFFFAOYSA-N	294.418	1.277	10	20	CDCD	
CCC[C@H](C)NC(=O)C(=O)NCCc1ccc(N)cc1	1328734459	ZTVQCUBAQQVUQB-NSHDSACASA-N	277.368	1.232	10	20	CDCD	
Nc1ccc(CNC(=O)NCC2(CO)CCCC2)cc1	1335725275	LUFICPQXYUJJMK-UHFFFAOYSA-N	277.368	1.621	10	20	CDCD	
Nc1ccc(CNC(=O)N2C[C@H]3[C@H]4C=C[C@@H](O4)[C@H]3C2)cc1	1346738616	IKRCDHCZORHGCD-LXTVHRRPSA-N	285.347	1.364	10	20	CDCD	
CCN(CC)C(=O)CCC(=O)NCc1ccc(N)cc1	1524008966	MXGCYZITFADDMC-UHFFFAOYSA-N	277.368	1.534	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC[C@@H](C)C(=O)O)c1	1604821314	YBNYYZUWEJWXDP-BDAKNGLRSA-N	253.298	1.772	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@]2(C(=O)O)CCCO2)cc1	1604091295	VDZGZQQGWWLYPV-OAHLLOKOSA-N	292.335	1.003	10	20	CDCD	
O=C(O)[C@H]1CCC[C@H](C(=O)NCc2ccc(O)c(O)c2)C1	1610741390	UWRZWITYPQOPQD-QWRGUYRKSA-N	293.319	1.605	10	20	CDCD	
CCOc1cccc(CNC[C@@H](COC)OC)c1O	227704997	ARZLFAYLYZVTRG-LBPRGKRZSA-N	269.341	1.542	10	20	CDCD	
CCOC[C@@H](O)CNc1ccccc1OCCOC	819428137	XBCMXERMXIRHHE-LBPRGKRZSA-N	269.341	1.521	10	20	CDCD	
COc1ccc(N(C)CC(=O)NCC(C)C)cc1	844353451	OFVDIYZZIWUUMH-UHFFFAOYSA-N	250.342	1.904	10	20	CDCD	
Cc1ccc(CN2CCC(NS(C)(=O)=O)CC2)c(O)c1	876556580	SPDDOIGRCNDZGQ-UHFFFAOYSA-N	298.408	1.214	10	20	CDCD	
Cc1ccc(O)c([C@@H](C)NC[C@H]2CCS(=O)(=O)C2)c1	38083266	RCJRJCPSWZXEIY-VXGBXAGGSA-N	283.393	1.786	10	20	CDCD	
c1cc2c(cc1CN[C@@H]1CCN(C3CC3)C1)CCO2	44687434	DFXPGFUUHDVAMS-CQSZACIVSA-N	258.365	1.948	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCC[C@@H](CO)CC1	294565796	NPNBUKZUQPHUDE-SNVBAGLBSA-N	265.309	1.332	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@]2(C)CCCNC2)cc1	62859180	JPOVICPGNXELBE-INIZCTEOSA-N	275.396	1.759	10	20	CDCD	
C[C@@H](N[C@@H]1CC[C@H](C(N)=O)C1)c1ccc(F)cc1O	834906861	IHLRJHAWGVCSBO-WCABBAIRSA-N	266.316	1.836	10	20	CDCD	
COC[C@@H](C)CNC(=O)NCc1cc(OC)ccc1O	172078943	RTFGJFODXDFNAM-JTQLQIEISA-N	282.340	1.483	10	20	CDCD	
C[C@](O)(CNC(=O)c1cccc(O)c1O)c1cccs1	185768874	ZDEWMXBRLJOIIZ-AWEZNQCLSA-N	293.344	1.797	10	20	CDCD	
CC1(NC(=O)/C=C/c2ccc(O)c(O)c2)CCOCC1	180876455	RYSUNLDNQYKVTE-HWKANZROSA-N	277.320	1.796	10	20	CDCD	
C[C@]1(NCc2ccc(N3CCOCC3)c(F)c2)CCOC1	120182826	LKQRORAVPMBWQE-INIZCTEOSA-N	294.370	1.931	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cccnn1	193962460	HOLPSCMOGASFCG-SECBINFHSA-N	288.307	1.641	10	20	CDCD	
Cc1cccc(CNCc2nc(N(C)C)no2)c1O	191899194	VOWNRAMQHMVTIZ-UHFFFAOYSA-N	262.313	1.439	10	20	CDCD	
CCn1nncc1CN[C@H](C)c1cc(F)ccc1O	527921282	WEURCFPMRQTUKW-SECBINFHSA-N	264.304	1.994	10	20	CDCD	
COc1cccc(CN2CCC[C@@H](C(=O)O)C2)c1O	86728432	ASOUZVPXBDDZEB-LLVKDONJSA-N	265.309	1.697	10	20	CDCD	
COCCOCCN[C@@H](C)c1cc(F)ccc1O	94617987	VMQNCSHZGYNASJ-JTQLQIEISA-N	257.305	1.845	10	20	CDCD	
Cc1c(CNC(=O)C(=O)NCC2CC2)n(C)c2ccccc12	339917680	QLCHPBUGEYALEN-UHFFFAOYSA-N	299.374	1.629	10	20	CDCD	
CCOC(=O)[C@H](C)[C@@H](C)NC(=O)c1ccc(C)c(O)c1O	273585709	ZSIXPPZJODRUQV-NXEZZACHSA-N	295.335	1.724	10	20	CDCD	
C[C@@H](O)CN1CCN(Cc2c(O)cccc2Cl)CC1	276347563	ZOJAHXVUFZOPRZ-LLVKDONJSA-N	284.787	1.544	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)NCCCCO)c1	279517366	OAVMHXQLUFQADT-SNVBAGLBSA-N	267.325	1.602	10	20	CDCD	
CCc1nc([C@H](C)NC(=O)c2cccc(O)c2O)n[nH]1	279854664	PHQOYYGBLNIZRR-ZETCQYMHSA-N	276.296	1.269	10	20	CDCD	
COc1cc(O)c(CN(C)C[C@H](O)C2CC2)cc1OC	809752474	SKKSSEXXFZWMPV-ZDUSSCGKSA-N	281.352	1.612	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N[C@H](CO)C1CCCC1	291935846	CKLQRIZLDKQSCS-STMXVASLSA-N	291.347	1.778	10	20	CDCD	
CN(C)CCN(C)Cc1ccc(N2CCN(C)CC2)cc1	809730067	ZABFQMIJNDEKES-UHFFFAOYSA-N	290.455	1.432	10	20	CDCD	
O=C(NN1CCCCC1)c1c(F)ccc(O)c1O	295516690	LYFXHUMPMWVNEZ-UHFFFAOYSA-N	254.261	1.368	10	20	CDCD	
CC(=O)NCCN(Cc1cc(C)ccc1O)[C@H](C)C(=O)O	819770110	HJNDDKZUYVNRJM-LLVKDONJSA-N	294.351	1.112	10	20	CDCD	
Cc1cc(O)c(CN[C@@H]2CCC(=O)N(C)C2=O)cc1C	818234388	ZDKUHLJIDMYQEX-GFCCVEGCSA-N	276.336	1.246	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)C2(C)CNC2)c1	817997346	ZUFBTGYMNYPUNS-VIFPVBQESA-N	264.325	1.188	10	20	CDCD	
Cn1cncc1CNC(=O)NCc1ccccc1O	811924627	CFYSOWHALSHEAL-UHFFFAOYSA-N	260.297	1.125	10	20	CDCD	
C[C@@H]1CNC[C@H]1CC(=O)NCc1ccc(N(C)C)cc1	722565998	AEDJQHYYQKZFEP-TZMCWYRMSA-N	275.396	1.614	10	20	CDCD	
C[C@@H]1CN=C(NC(=O)c2cccc(O)c2O)S1	819782747	QBPAEMAUYGGQGR-ZCFIWIBFSA-N	252.295	1.319	10	20	CDCD	
Cc1noc([C@H](C)NC(=O)Cc2ccc(N)cc2)n1	827929934	CBUVKMBYJJWLLI-QMMMGPOBSA-N	260.297	1.380	10	20	CDCD	
CCc1nnc(COC(=O)c2ccc(C)c(O)c2O)o1	727003716	CXLBGBILIDBFQY-UHFFFAOYSA-N	278.264	1.709	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)c2ccnc(C)n2)c1	728983281	WZZPQPJSJWPVJN-VIFPVBQESA-N	287.319	1.990	10	20	CDCD	
COc1ccc(CNC(=O)NOCC2CCC2)c(O)c1	824092584	CLEUWDHNJMUQQU-UHFFFAOYSA-N	280.324	1.932	10	20	CDCD	
CN(Cc1nc[nH]n1)Cc1ccc(Br)cc1O	824828489	CASZWWRKWCOYAS-UHFFFAOYSA-N	297.156	1.905	10	20	CDCD	
COc1ccc(N2CC[C@H](CNC(=O)CCO)C2)cc1	902947393	JYRVWAHAODAHMZ-GFCCVEGCSA-N	278.352	1.020	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)NCC[C@H](O)C2CC2)c1	903405932	GEIJFIGOLLIAHG-YGRLFVJLSA-N	293.363	1.990	10	20	CDCD	
O=C1CC[C@H](C(=O)OCC(=O)c2ccc(O)c(O)c2)C1	830915304	CRFPQSXNJNAAPO-VIFPVBQESA-N	278.260	1.193	10	20	CDCD	
C[C@H]1CN(Cc2cccc(F)c2O)C[C@H]1C(=O)O	833628956	CXAVLDTXWMWGCW-WCBMZHEXSA-N	253.273	1.684	10	20	CDCD	
COCCCNC(=O)CN[C@H](C)c1ccc(N(C)C)cc1	839564217	SICSIKQHIVRCSJ-CYBMUJFWSA-N	293.411	1.556	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@H]1CCCC(=O)N1C	906991325	MVXSSSKNGOVGRA-GFCCVEGCSA-N	276.336	1.362	10	20	CDCD	
CCO[C@@H]1COC[C@H]1NC(=O)/C=C\c1ccc(O)c(O)c1	837092986	VSBWDAAMWYNYLR-CAMLPZEUSA-N	293.319	1.031	10	20	CDCD	
CN1CCC(CCNC(=O)c2cc(O)cs2)CC1	732281315	XTNIAOFENDJYLG-UHFFFAOYSA-N	268.382	1.915	10	20	CDCD	
O=C(O)CC1(NCc2ccccc2O)CCOCC1	833205405	DHKZZZCLNBVODK-UHFFFAOYSA-N	265.309	1.506	10	20	CDCD	
CCn1nc(C)c(C(=O)COC(=O)c2cc(O)cs2)n1	837512535	AQMCEYINLMXBKQ-UHFFFAOYSA-N	295.320	1.413	10	20	CDCD	
Nc1ccc(CCNC(=O)[C@@H]2CCc3cncn3C2)cc1	911781881	DBGVLMQCXLSRQE-CYBMUJFWSA-N	284.363	1.387	10	20	CDCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1nc[nH]n1	839920103	KVHZUXFSFCQMJB-NSHDSACASA-N	287.367	1.540	10	20	CDCD	
c1cc(N2CCOCC2)ccc1CNC[C@H]1CCCNC1	841033828	ZXBQLEYDQZNKEW-INIZCTEOSA-N	289.423	1.612	10	20	CDCD	
Cc1nc(O)[nH]c1C(=O)NCc1ccc(N(C)C)cc1	847296427	HCZVPMILEVHOAY-UHFFFAOYSA-N	274.324	1.420	10	20	CDCD	
Fc1cc(CN[C@@H]2CCCNC2)ccc1N1CCOCC1	841042275	IITCECWHVKHCIE-CQSZACIVSA-N	293.386	1.504	10	20	CDCD	
C/C=C\C[C@@H](CO)NC(=O)NCCc1ccc(N)cc1	841958617	HDXVTYWXSFKKLM-SFAKSCPVSA-N	277.368	1.438	10	20	CDCD	
Nc1ccc(NC(=O)C(=O)N2CC(C3CCCC3)C2)cc1	841120805	NBHLVGBUUWDUNP-UHFFFAOYSA-N	287.363	1.856	10	20	CDCD	
Nc1ccc(CCNC(=O)N2CCC[C@H]2CCO)cc1	841955912	RFJXTWBULOWIAX-AWEZNQCLSA-N	277.368	1.368	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N2CCC(CN)CC2)cc1	841654871	QFVPOPWUYQEHKW-UHFFFAOYSA-N	290.411	1.633	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(C)(C)CS(C)(=O)=O	840939547	NNDXQFPBGNIARJ-UHFFFAOYSA-N	298.452	1.974	10	20	CDCD	
C[C@H](O)C[C@@H]1CCCN1Cc1cc2c(cc1O)OC[C@H]2O	768462077	IVLLOPSHIPMIOK-ITDIGPHOSA-N	293.363	1.553	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)N[C@H]2CCC[C@@H]2O)c1	866489532	RCMJUSBJACZJEE-LQJRIPTKSA-N	279.336	1.743	10	20	CDCD	
Cc1cc(O)c(CNCCOCC(=O)O)cc1C	874043219	QZMGSFDFEZSUMX-UHFFFAOYSA-N	253.298	1.200	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N1CCC[C@H](CCO)C1	779534478	GIDFXAXNXOUNPW-RYWCDNDXSA-N	291.347	1.732	10	20	CDCD	
Cc1c[nH]ccc1=NC(=O)/C=C/c1ccc(O)c(O)c1	1116510793	YUNURGVKDHBJKO-HWKANZROSA-N	270.288	1.875	10	20	CDCD	
C[C@H](NC(=O)C(=O)N1CCCC1)c1ccc(N(C)C)cc1	774217540	MPCSHDABUKMGQD-LBPRGKRZSA-N	289.379	1.552	10	20	CDCD	
CN(C(=O)c1cc([C@H]2CCNC2)[nH]n1)c1ccc(N)cc1	877077571	NHYDIBVKMIHCHK-JTQLQIEISA-N	285.351	1.345	10	20	CDCD	
COC[C@@]1(C(=O)N(C)Cc2ccccc2O)CCCCN1	876606162	WGJOBORZXDAJPX-MRXNPFEDSA-N	292.379	1.509	10	20	CDCD	
CN(Cc1ccccc1O)c1nnc(C[S@@](C)=O)n1C	1121381584	IIRVPUULIWWKAM-HXUWFJFHSA-N	294.380	1.036	10	20	CDCD	
CN(CC1(O)CCC1)C(=O)NCc1ccc(N)cc1	1120591785	IZXOHYYFRNCFSM-UHFFFAOYSA-N	263.341	1.325	10	20	CDCD	
CN(Cc1ccccc1O)c1cncc(-n2cncn2)n1	786796664	KDXYHXCCCXHDHJ-UHFFFAOYSA-N	282.307	1.399	10	20	CDCD	
OC[C@@]12C[C@@H]1CN(Cc1ccc(N3CCOCC3)cc1)C2	783744136	SUHBBJCOGWBHJM-WBVHZDCISA-N	288.391	1.337	10	20	CDCD	
COc1ccc2c(c1)CCCN2CN1C[C@H](OC)CC1=O	787224270	NSPRLRJNJFNXSW-CQSZACIVSA-N	290.363	1.653	10	20	CDCD	
Cc1cc(O)c(CN2CC(=O)N(C)C[C@@H]2C)cc1C	783730214	SIZXJRQIPBPQNW-LBPRGKRZSA-N	262.353	1.672	10	20	CDCD	
O=C(OCCO[C@@H]1CCCCO1)c1cccc(O)c1O	792152815	YCPGRXCKOIDIQG-GFCCVEGCSA-N	282.292	1.798	10	20	CDCD	
Cc1ccc([C@@H](O)CNC(=O)c2cccc(O)c2O)o1	790769744	XXKIPWMBXQWDIU-NSHDSACASA-N	277.276	1.463	10	20	CDCD	
CCN1CCC[C@H](NCc2cc(OC)ccc2O)C1=O	722358297	BYNWXVAHXFLJKT-ZDUSSCGKSA-N	278.352	1.501	10	20	CDCD	
Cc1cccc(NCCNC(=O)c2cccc(O)c2O)n1	790746301	QMHWMSOYRGHPBS-UHFFFAOYSA-N	287.319	1.643	10	20	CDCD	
Cc1cc(C(=O)NCc2ccc(O)c(O)c2)cc(O)n1	1319903097	NQTHGTRABVURRB-UHFFFAOYSA-N	274.276	1.437	10	20	CDCD	
CNC[C@@H](C)CN[C@H](C)c1cc([N+](=O)[O-])ccc1O	1327840615	PWAADGDUJKOXOR-NXEZZACHSA-N	267.329	1.807	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H](C(=O)O)C1CC1	1601237859	FHVBSQWOYTVANL-ZABGRMTBSA-N	278.260	1.517	10	20	CDCD	
COc1ccc(CNCc2ncc(C(=O)O)s2)c(O)c1	1607260420	ODBFSNJTPXHMRP-UHFFFAOYSA-N	294.332	1.845	10	20	CDCD	
Nc1ccc(CNC(=O)NC2CCC(C(=O)O)CC2)cc1	1601215755	IIDLOJPTKJHKHS-UHFFFAOYSA-N	291.351	1.711	10	20	CDCD	
O=C(O)[C@H](NCc1cc2c(cc1O)OCO2)C1CC1	1610720070	DCFOYIRTVCJPSI-GFCCVEGCSA-N	265.265	1.074	10	20	CDCD	
CCOc1cccc(CNC[C@](C)(O)CSC)c1O	120679074	IGVZMFSTTBRWJZ-AWEZNQCLSA-N	285.409	1.995	10	20	CDCD	
Nc1ccc(CN[C@@H]2Cc3ccccc3NC2=O)cc1	1580445773	VKJHCWCZELQXLD-OAHLLOKOSA-N	267.332	1.922	10	20	CDCD	
COC(=O)[C@H]1CN(Cc2cc(C)ccc2O)C[C@H]1C(=O)O	1598828154	OHJWWYAASYKDEZ-NEPJUHHUSA-N	293.319	1.006	10	20	CDCD	
CCCC(=O)NC[C@@H](O)CNCc1ccc(OC)c(C)c1	1753901847	DVUPELBQGPEXNK-AWEZNQCLSA-N	294.395	1.370	10	20	CDCD	
CCNC(=O)CCC(=O)N[C@@H](C)c1cc(OC)ccc1O	153925252	HCWLHYPSAPYSNG-JTQLQIEISA-N	294.351	1.494	10	20	CDCD	
Nc1ccc(CCNC(=O)N[C@@H]2CCSC2)cc1	841840748	BWGWXKPRKBAVTP-GFCCVEGCSA-N	265.382	1.616	10	20	CDCD	
COc1cccc(O)c1CN[C@H](CO)C[C@@H]1CCCO1	886229903	XNRJZFOBIMKMAK-RYUDHWBXSA-N	281.352	1.420	10	20	CDCD	
CC(C)C[C@H](N)C(=O)NCc1ccc(N(C)C)cc1	40825812	GZQBENCRHLQLMF-AWEZNQCLSA-N	263.385	1.742	10	20	CDCD	
CS(=O)(=O)C1CCN(Cc2ccc(N)cc2)CC1	311196879	GBJSOLHUEFSEFM-UHFFFAOYSA-N	268.382	1.278	10	20	CDCD	
CN(C)C1(CNCc2cc(F)cc(F)c2O)CC1	708466981	WVWRSFYZZSNRFM-UHFFFAOYSA-N	256.296	1.854	10	20	CDCD	
CN1CCc2cc(OC[C@H]3C[N@@]3Cc3cnn(C)c3)ccc21	1887518964	BGXDWUUXFACIOZ-QVKFZJNVSA-N	298.390	1.676	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)[C@@H]1CC(=O)N(C)C1	170731962	CVCLPAWJGHNALL-CYBMUJFWSA-N	290.363	1.609	10	20	CDCD	
O=C1CN(Cc2ccccc2)[C@H](c2ccc(O)c(O)c2)N1	112370188	SJIVINBJQRYDCW-MRXNPFEDSA-N	284.315	1.728	10	20	CDCD	
CC(=O)N[C@H](C)C(=O)N(C)Cc1ccc(N(C)C)cc1	60678830	DDQCKKWUTVMHFU-LLVKDONJSA-N	277.368	1.236	10	20	CDCD	
C[C@H]1CN(c2nnc(-c3sccc3O)n2C)CCCO1	1341281223	SQUSISLZVNHYAS-VIFPVBQESA-N	294.380	1.864	10	20	CDCD	
Cc1ccc(O)c([C@H](C)N[C@@H](C)C(=O)N(C)C)c1	36794390	ABBNFGIPYQAQHJ-QWRGUYRKSA-N	250.342	1.828	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NC2(CO)CCCC2)cc1	304806695	FDOPGLVBEQPWHU-UHFFFAOYSA-N	291.395	1.857	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H](C)c2cnn(C)c2C)c(O)c1O	181943377	RAUIRVXYUURJEO-VIFPVBQESA-N	289.335	1.939	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)CCOC[C@@H]1CCCO1	77258407	RFTRCUQIGIWDNA-AWEZNQCLSA-N	293.363	1.936	10	20	CDCD	
COc1ccc(O)c(CNC(=O)N[C@H](C)CSC)c1	77600104	YWAIBBDCASQCIC-SECBINFHSA-N	284.381	1.952	10	20	CDCD	
COc1ccc(O)c(CN(C)C[C@H]2CCC[C@@H]2O)c1	180700989	BTRVKVHHTNWENO-RISCZKNCSA-N	265.353	1.994	10	20	CDCD	
CN(C)CCNC(=O)NCc1ccc2c(c1)CCCN2C	133554757	KENSNULCEINFAJ-UHFFFAOYSA-N	290.411	1.430	10	20	CDCD	
CN(C)C(=O)CCCNC(=O)N(C)Cc1ccccc1O	193857183	UKPOUFUHRZERSJ-UHFFFAOYSA-N	293.367	1.402	10	20	CDCD	
Cc1cc(CC(=O)NCc2ccc3c(c2)CCCN3C)n[nH]1	130067851	WOIRDRSOEARIFJ-UHFFFAOYSA-N	298.390	1.959	10	20	CDCD	
Nc1ccc(CC(=O)Nc2nnc(C(F)(F)F)[nH]2)cc1	238120385	SIZUZBIZXWUMBD-UHFFFAOYSA-N	285.229	1.587	10	20	CDCD	
COc1cc(Cl)cc(CNCCCOCCO)c1O	230935735	KDUKPHKADCGZKW-UHFFFAOYSA-N	289.759	1.543	10	20	CDCD	
COCCOCCN1CCOc2cc(N(C)C)ccc21	181128612	RXBROBSEMVAOKA-UHFFFAOYSA-N	280.368	1.614	10	20	CDCD	
COc1cc(O)c(CN2CC[C@@H](O)[C@H](C)C2)cc1OC	250054349	MHJGXWXKKDRSNZ-ZYHUDNBSSA-N	281.352	1.612	10	20	CDCD	
CCN1CCC[C@@H]1CNC(=O)c1c(F)ccc(O)c1O	276512646	DYOFCGLOLQKXSI-SECBINFHSA-N	282.315	1.451	10	20	CDCD	
OCCN(Cc1cccnc1)Cc1ccccc1O	271351045	LKSGVGPCEYJXFJ-UHFFFAOYSA-N	258.321	1.782	10	20	CDCD	
COc1ccc(O)c(CN2CC[C@H](N3CCCC3=O)C2)c1	276754792	FZWPHYMSYWGNTH-ZDUSSCGKSA-N	290.363	1.598	10	20	CDCD	
CCCCCNC(=O)C(=O)NCc1ccc(N(C)C)cc1	283485767	MPNDBUXJJFCKLM-UHFFFAOYSA-N	291.395	1.675	10	20	CDCD	
COc1cccc(CNC(=O)[C@@H]2O[C@H](C)C[C@H]2C)c1O	282633034	YTSDYOPXQTVSON-GPCCPHFNSA-N	279.336	1.831	10	20	CDCD	
OCCCN1CCC[C@@H](NCc2ccc3c(c2)CCO3)C1	295209901	ZXCIQUFBGKXQPG-MRXNPFEDSA-N	290.407	1.558	10	20	CDCD	
COC(=O)c1ccc(C(=O)NCc2ccccc2O)n1C	815833557	SYUIPMZCILFVGB-UHFFFAOYSA-N	288.303	1.447	10	20	CDCD	
OC[C@@]12C[C@@H]1CN(Cc1cc(Cl)c(F)cc1O)C2	816586869	WJAOLZOMDFXIHA-RNCFNFMXSA-N	271.719	1.999	10	20	CDCD	
CSCC[C@@H](O)C(=O)NCc1ccc(N(C)C)cc1C	825980848	LTZJTKJDDLHKFE-CQSZACIVSA-N	296.436	1.791	10	20	CDCD	
OC[C@H](CCF)NCc1ccc(Br)cc1O	826143153	TZJPXQUTFDDHKF-JTQLQIEISA-N	292.148	1.965	10	20	CDCD	
CO[C@@H](CS(=O)(=O)NCc1ccccc1O)C(C)C	827188491	ZDJTXHVEBZBQDI-ZDUSSCGKSA-N	287.381	1.483	10	20	CDCD	
COCCN(CC(=O)O)Cc1cccc(F)c1O	820723526	OBGLXMCRBPJGKS-UHFFFAOYSA-N	257.261	1.064	10	20	CDCD	
CC[C@H](C)NC(=O)[C@H](C)NC(=O)c1cc(O)cs1	731871231	HEUKJROZJIGEQT-YUMQZZPRSA-N	270.354	1.487	10	20	CDCD	
CCON(CC)C(=O)/C=C/c1ccc(O)c(O)c1	831467513	PJJGLDPYNUOHSV-SOFGYWHQSA-N	251.282	1.911	10	20	CDCD	
COC[C@](C)(NCc1cc(F)cc(F)c1O)C(=O)O	904009999	NUGXALUEBUTSAI-LBPRGKRZSA-N	275.251	1.250	10	20	CDCD	
C[C@H](NC[C@]1(C)CCC(=O)N1)c1ccc(F)cc1O	834907850	DOASTSVPMCLJAN-XPTSAGLGSA-N	266.316	1.851	10	20	CDCD	
COc1ccc(N2CCC(N[C@@H]3COC[C@H]3O)CC2)cc1	830648497	KSOQNKLUUXKUAC-HZPDHXFCSA-N	292.379	1.013	10	20	CDCD	
CCO[C@H](C)C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1	832300114	MHKUMRSDOCSVQZ-BXUZGUMPSA-N	279.384	1.294	10	20	CDCD	
O=C1COc2ccc(C(=O)NCc3ccccc3O)cc2N1	748353702	OILWNBUPQNRYST-UHFFFAOYSA-N	298.298	1.653	10	20	CDCD	
COCCOC[C@@H](C)NCc1ccc(OC)cc1O	742377144	MYVHXZJAIPBBFY-LLVKDONJSA-N	269.341	1.542	10	20	CDCD	
CS(=O)(=O)C1CN(Cc2cccc(Cl)c2O)C1	841887599	STCKVPOTQQYVRC-UHFFFAOYSA-N	275.757	1.274	10	20	CDCD	
COc1cccc([C@@H](C)NC[C@@H](C)S(C)(=O)=O)c1O	846156285	DBLAEDUYKCTGSG-NXEZZACHSA-N	287.381	1.485	10	20	CDCD	
COc1cc(O)c(CN[C@@H]2CCNCC2(C)C)cc1OC	841072581	LAKZFFNLDSOHLD-OAHLLOKOSA-N	294.395	1.887	10	20	CDCD	
COc1ccc(N(C)CCN(C)[C@@H](C)C(=O)O)cc1	844839720	SZZZNTATGGAGIX-NSHDSACASA-N	266.341	1.536	10	20	CDCD	
CCC[C@@H](NC(N)=O)C(=O)NCc1cc(Cl)ccc1O	846478129	ZUYMFPZIUOHPMB-SNVBAGLBSA-N	299.758	1.499	10	20	CDCD	
CN(Cc1cc2c(cc1O)OCO2)C1CCC(N)CC1	843055926	SDSPKZQCHFLGKE-UHFFFAOYSA-N	278.352	1.823	10	20	CDCD	
O=C(NCc1ccccc1O)c1cc2c(cc1O)OCO2	748345952	SKHAMIFKDNCBSV-UHFFFAOYSA-N	287.271	1.757	10	20	CDCD	
CCCN1CCC[C@@H](C(=O)NCc2ccc(O)cc2O)C1	910955476	FXIWHKSHHSZKBN-CYBMUJFWSA-N	292.379	1.836	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN[C@H](C)CN1CCOCC1	840929303	BRAPIGCWHQSAHJ-OAHLLOKOSA-N	291.439	1.871	10	20	CDCD	
C[C@@H](NCCS(C)(=O)=O)c1cc(F)cc(F)c1O	756501320	AGSHFRGCMJMIHF-SSDOTTSWSA-N	279.308	1.366	10	20	CDCD	
C[C@H](NC/C=C\CO)c1cc([N+](=O)[O-])ccc1O	850510265	WYEFMIMIFDDPJR-XADBCAIWSA-N	252.270	1.500	10	20	CDCD	
COc1cccc([C@H](C)NC[C@H]2C[C@@H](O)C2)c1O	858543451	JAEVMPDZCKQXCQ-GARJFASQSA-N	251.326	1.822	10	20	CDCD	
C[C@@H]1[C@H](N(C)C)CCN1C(=O)c1c(F)ccc(O)c1O	857270063	NCEOOURYDHOLEM-PSASIEDQSA-N	282.315	1.402	10	20	CDCD	
C[C@@]1(CO)CCCN1C(=O)/C=C/c1ccc(O)c(O)c1	760095249	LMLIHNSHYHFFQN-DRDHIDPGSA-N	277.320	1.484	10	20	CDCD	
NC(=O)c1csc(C(=O)NCc2ccc(O)c(O)c2)c1	768915013	QXQJYJTXWNURHA-UHFFFAOYSA-N	292.316	1.188	10	20	CDCD	
COC(=O)C1CCN(Cc2c(O)cccc2OC)CC1	768152387	NPISMAKBGBMQTA-UHFFFAOYSA-N	279.336	1.786	10	20	CDCD	
Cc1ccc(C(=O)N[C@H](CO)CCC(C)C)c(O)c1O	862778757	KNBKHOPSKRQAJG-NSHDSACASA-N	281.352	1.933	10	20	CDCD	
Cc1cc(CNC(=O)[C@@H]2CC(=O)N2)c(C)n1-c1ccccc1	863163916	TVYAMWKXJPXSJE-HNNXBMFYSA-N	297.358	1.599	10	20	CDCD	
O=C(O)[C@H](Cc1cnc[nH]1)NCc1ccc2c(c1)CCO2	1119613483	GKKUAMAHNFWLQD-ZDUSSCGKSA-N	287.319	1.130	10	20	CDCD	
CC[C@@H](CO)C(=O)N[C@H](C)c1cc(OC)ccc1O	779812376	LBTCCLKLKCOYBV-ZJUUUORDSA-N	267.325	1.597	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ncccn1	773747611	CACKKQXVLYBTPT-SECBINFHSA-N	273.292	1.249	10	20	CDCD	
Cc1ccc(CN2C[C@@H](N3CCOCC3)C[C@H]2C)c(O)c1	877515981	AICAPHZSZHEQCR-ZBFHGGJFSA-N	290.407	1.996	10	20	CDCD	
COc1ccc(CNCCNC(=O)C(C)(C)F)cc1C	1122516979	KBSZUVFZFQWNIX-UHFFFAOYSA-N	282.359	1.958	10	20	CDCD	
COC[C@H](CN[C@H](C)c1c(O)cccc1F)OC	886588775	YONMSRWVZVNHLX-ZJUUUORDSA-N	257.305	1.843	10	20	CDCD	
COC(=O)[C@@H]1CCN(Cc2ccc(N)cc2)C[C@@H]1C	1120371473	HCDUMTXVHBVFSL-SMDDNHRTSA-N	262.353	1.900	10	20	CDCD	
COCC1CN(Cc2cc(OC)c(OC)cc2O)C1	895971810	TVGDTKJNEDETOX-UHFFFAOYSA-N	267.325	1.488	10	20	CDCD	
CN1CCC(C)(CNC(=O)c2cc(O)cs2)CC1	780766793	IHWZXHCPJHYLMM-UHFFFAOYSA-N	268.382	1.915	10	20	CDCD	
Cc1nccc(CCC(=O)NCc2ccc(N)cc2)n1	1122535603	DHGZIUOCMAFYFH-UHFFFAOYSA-N	270.336	1.616	10	20	CDCD	
CC[C@@H]1CN(Cc2cc(C)cc(OC)c2O)C[C@@H]1O	894094707	LTXMJYVAZAOOJZ-YPMHNXCESA-N	265.353	1.912	10	20	CDCD	
COc1ccc(CN2CC[C@@H](CN(C)C)C2)c(O)c1OC	892033833	INWXWQMDPFVULB-LBPRGKRZSA-N	294.395	1.793	10	20	CDCD	
O=C1CC[C@H]2CN(Cc3cc(F)cc(F)c3O)CC[C@H]2N1	895258300	BYOWZGUFJOJEPU-TVQRCGJNSA-N	296.317	1.771	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@H](O)c1ccccn1	791386685	JTVOEQQAZUKTCE-CQSZACIVSA-N	272.304	1.479	10	20	CDCD	
C[S@@](=O)C1(CNC(=O)c2cc(O)cs2)CCC1	798123772	UMOHBLDESQWCPV-QGZVFWFLSA-N	273.379	1.485	10	20	CDCD	
CC[C@H](C)CS(=O)(=O)NCc1ccc(OC)cc1O	795362147	IFQORGUAMCAQLB-JTQLQIEISA-N	287.381	1.866	10	20	CDCD	
CCn1c(-c2sccc2O)nnc1N(C)CCOC	1342569657	OEVARDWCQZMCHS-UHFFFAOYSA-N	282.369	1.815	10	20	CDCD	
Cc1nnc(CC(=O)NCc2cccc(O)c2O)s1	1352671370	QWDAKRUGRAXDKA-UHFFFAOYSA-N	279.321	1.117	10	20	CDCD	
Nc1ccc(Cc2noc([C@H]3CC[C@H]3C(=O)O)n2)cc1	1601216386	YSZFVIIPHYWHBB-WDEREUQCSA-N	273.292	1.821	10	20	CDCD	
CSC[C@@H](O)CSc1ncc(C(=O)O)s1	1607395251	UCJHAUWEUMKJAZ-RXMQYKEDSA-N	265.381	1.657	10	20	CDCD	
CCCCNC(=O)COc1ccc(N(C)C)c(C(=O)O)c1	1605281473	YARVFTWJIKLOQL-UHFFFAOYSA-N	294.351	1.746	10	20	CDCD	
NC(=O)N=Nc1ccc(C(=O)N[C@H](CF)C(=O)O)cc1	1608237850	GZZFUEKKNKZBGB-MRVPVSSYSA-N	282.231	1.002	10	20	CDCD	
C[C@H](NC[C@H](C)CCO)c1cccc(-c2nn[nH]n2)c1O	1603495183	IJKJFOQDLSQTMI-ZJUUUORDSA-N	291.355	1.241	10	20	CDCD	
O=C(NCc1cc(O)ccc1O)c1c[nH]c(C(=O)O)c1	1608462802	QVDSEWPJBCVTII-UHFFFAOYSA-N	276.248	1.054	10	20	CDCD	
CC(C)C[C@H](NC(=O)Cc1ccc(O)c(O)c1)C(=O)O	1573915291	NUQLQKAVEQLLFP-JTQLQIEISA-N	281.308	1.256	10	20	CDCD	
COc1cc(NC(=O)NCCc2ccc(N)cc2)n(C)n1	1579163999	FLSDSYUXYZEBOK-UHFFFAOYSA-N	289.339	1.375	10	20	CDCD	
CCc1cccc(CN[C@@H]2CNC[C@H]2OC)c1O	1578266548	LBUWNHPNVQWVLA-CHWSQXEVSA-N	250.342	1.031	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2C[C@H]2C(=O)O)c1	1599598266	JUSVCIQVGNFFQH-PPKCKEKNSA-N	279.292	1.299	10	20	CDCD	
C[C@H](CNCc1ccc(N(C)C)cc1)CC(=O)O	1776425289	IGYGAXOSAHCUEW-NSHDSACASA-N	250.342	1.953	10	20	CDCD	
Cc1cccc(CN2CC[C@H](C(=O)N(C)C)C2)c1O	840957147	GBRLNKPMTBGCLL-ZDUSSCGKSA-N	262.353	1.611	10	20	CDCD	
COCC(COC)N1CCOc2cc(N(C)C)ccc21	930126313	IMWYGWPSDPEQFV-UHFFFAOYSA-N	280.368	1.613	10	20	CDCD	
COc1cccc(CN(C)[C@H]2CCN(C)C2=O)c1O	271187931	KMXLFRHWQURZMV-NSHDSACASA-N	264.325	1.063	10	20	CDCD	
CN(C(=O)c1cccc(O)c1O)[C@@H]1CCCOC1	401325730	AMWGGWFAEHLVBD-SECBINFHSA-N	251.282	1.349	10	20	CDCD	
CN(C)c1ccc(CN2CCC[C@H](OCCO)C2)cc1	179569820	JTXUEGCRGYKBBP-INIZCTEOSA-N	278.396	1.726	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@H]2CCCOC2)cc1	170788399	ZARXVNGFABVTDZ-ZDUSSCGKSA-N	262.353	1.795	10	20	CDCD	
CCC(O)(CC)CNC(=O)c1ccc(C)c(O)c1O	179521110	XPFQHXVASXVDPW-UHFFFAOYSA-N	267.325	1.687	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)CNC2CC2)cc1	178924829	ICAJYVNNTJGTKY-UHFFFAOYSA-N	275.396	1.901	10	20	CDCD	
C[C@@H](CN1CCN(C)CC1)N[C@H](C)c1ccccc1O	183502159	ZRRCKCFTMZFBOC-UONOGXRCSA-N	277.412	1.679	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)c1cnn2ccncc12	189911552	FWWNGKSYNXLUBS-UHFFFAOYSA-N	298.302	1.113	10	20	CDCD	
CCN(CCCN(C)C)C(=O)c1ccc(C)c(O)c1O	188956637	XSBAHWZIWLBJGP-UHFFFAOYSA-N	280.368	1.820	10	20	CDCD	
CCO[C@@H]1C[C@H]1C(=O)NCCc1ccc(O)c(O)c1	179091051	NDTBISIFNVRBRP-ZWNOBZJWSA-N	265.309	1.182	10	20	CDCD	
Nc1ccc(CCNS(=O)(=O)N2C[C@H]3CC[C@H]2C3)cc1	249436178	FEFRRUKEOITVCP-JSGCOSHPSA-N	295.408	1.130	10	20	CDCD	
C[C@H](NC[C@H]1COCCN1)c1cc(F)ccc1O	530226678	PTXZDPBLSVSORU-ONGXEEELSA-N	254.305	1.170	10	20	CDCD	
COC(=O)CCCN(C)C(=O)c1ccc(C)c(O)c1O	267553956	DOCQTWHJFATIRN-UHFFFAOYSA-N	281.308	1.431	10	20	CDCD	
CCN(CC)c1ccc(CNC[C@@]2(O)CCOC2)cc1F	270012878	UUKDPOXJTAYVCF-INIZCTEOSA-N	296.386	1.913	10	20	CDCD	
O=c1cc2c(n[nH]1)CCN(Cc1c(O)cccc1Cl)C2	274983245	XYGWZCIHSSDNSD-UHFFFAOYSA-N	291.738	1.687	10	20	CDCD	
C[C@@H]1CN(Cc2c(O)cccc2Cl)C[C@H](C(N)=O)O1	271247948	CWJKXSRKSXVVSN-PRHODGIISA-N	284.743	1.120	10	20	CDCD	
C[C@@H](C[S@@](C)=O)N(C)C(=O)/C=C/c1ccc(O)c(O)c1	274322063	AUJGQQJWKOADPH-AQNJWMLTSA-N	297.376	1.336	10	20	CDCD	
CC[C@@H](NCc1nnn(C)n1)c1cccc(Cl)c1O	806162979	KNLGMCYQAQQGJR-SNVBAGLBSA-N	281.747	1.810	10	20	CDCD	
CCOc1ccc(CNCc2nonc2C)c(O)c1	809744296	DWRRAWDRTGLXBA-UHFFFAOYSA-N	263.297	1.772	10	20	CDCD	
CCN1C(=O)/C(=C\c2cnccn2)SC1=S	809152231	OTOSGOYXPXVOBJ-VMPITWQZSA-N	251.336	1.698	10	20	CDCD	
C[C@@H](N[C@H](CN)C1CC1)c1cc([N+](=O)[O-])ccc1O	817958999	AAYPOQRHEJPFCW-PRHODGIISA-N	265.313	1.688	10	20	CDCD	
CS(=O)(=O)CCNCc1ccc2ccccc2c1O	816541642	RATXNKBLJNKYFG-UHFFFAOYSA-N	279.361	1.680	10	20	CDCD	
CCN(C)c1ccc([C@@H](C)NCCN2CCNCC2)cc1	817944017	VZZVRMAKOXWBCO-OAHLLOKOSA-N	290.455	1.699	10	20	CDCD	
Nc1ccc(NC(=O)N2CCC[C@H](n3ccnn3)C2)cc1	818635157	FCNIICIEXNERSI-ZDUSSCGKSA-N	286.339	1.729	10	20	CDCD	
COCCOC[C@@H](O)CN1CCCc2cc(OC)ccc21	827377940	IRNJJEVSWALGMP-AWEZNQCLSA-N	295.379	1.472	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CCC(=O)NC2)c1	728983303	XLKZWGDJPTUZKR-ZJUUUORDSA-N	292.335	1.104	10	20	CDCD	
CC(C)C1(O)CN(Cc2cc3c(cc2O)OCO3)C1	839133577	VYCITANHFMIHQJ-UHFFFAOYSA-N	265.309	1.324	10	20	CDCD	
CCNC(=O)[C@H](C)N[C@@H](C)c1cccc(OC)c1O	846137841	RJMDTIVJGKJNSU-UWVGGRQHSA-N	266.341	1.576	10	20	CDCD	
CCCNCCNC(=O)NCCc1ccc(N)cc1	841955909	RCVATDWJBSNQBJ-UHFFFAOYSA-N	264.373	1.110	10	20	CDCD	
C[C@H](NC[C@H]1CN(C)CCN1C)c1ccc(Cl)cc1O	841762246	IJKVUPKBTSQLRW-AAEUAGOBSA-N	297.830	1.942	10	20	CDCD	
CC(C)N1CCN(C(=O)NCCc2ccc(N)cc2)CC1	841962339	OFCRUMAZLCWPOA-UHFFFAOYSA-N	290.411	1.547	10	20	CDCD	
C[C@@H](CCN)NC(=O)NCc1ccc(N(C)C)c(F)c1	841760611	KVBOONDKKNRPGM-JTQLQIEISA-N	282.363	1.428	10	20	CDCD	
C[C@H](CNCc1ccc(N(C)C)c(F)c1)C(=O)O	848637292	DXZZXWVVCSLZMP-SECBINFHSA-N	254.305	1.702	10	20	CDCD	
NC(=O)c1cc(CNCc2cccc(Cl)c2O)on1	757906974	QLJCVSVNIQLSTR-UHFFFAOYSA-N	281.699	1.422	10	20	CDCD	
CC[C@H](C)NC(=O)COC(=O)/C=C/c1ccc(O)c(O)c1	759578259	GCCXILAVLDROSL-STUBTGCMSA-N	293.319	1.569	10	20	CDCD	
C[C@@H](NC(=O)N[C@H](C)c1nncn1C)c1ccccc1O	864423245	CGWPWBLJTGAOKB-NXEZZACHSA-N	289.339	1.642	10	20	CDCD	
COc1cccc(O)c1CN1CCC(C(N)=O)CC1	768140815	LXLYBULLHJSFMK-UHFFFAOYSA-N	264.325	1.098	10	20	CDCD	
CCN(C)C[C@@H](O)CN[C@H](C)c1ccccc1O	879649120	ISKDJPVHMMBDLT-NEPJUHHUSA-N	252.358	1.355	10	20	CDCD	
Oc1c(F)cc(F)cc1CNC[C@H]1CN2CCC[C@@H]2CO1	882985470	ZBRWPHKSULXKNF-OLZOCXBDSA-N	298.333	1.623	10	20	CDCD	
CN[C@H](C)c1cn(Cc2cc(F)cc(C(C)=O)c2O)nn1	880995575	BRLYAUVXYUJFGU-MRVPVSSYSA-N	292.314	1.654	10	20	CDCD	
C[C@H]1C[C@@H](NC(=O)NCc2ccc(N)cc2)CCN1	1120630523	CCBLTFIQGNYQCG-GWCFXTLKSA-N	262.357	1.209	10	20	CDCD	
COc1ccc(CN[C@H](C)CCCO)c(O)c1OC	893164218	MKMLUDVDICREKS-SNVBAGLBSA-N	269.341	1.660	10	20	CDCD	
O=C(NCCCSc1nccs1)N1C[C@@H]2C[C@H]1CN2	891674421	KPXVTMNEATVJSH-UWVGGRQHSA-N	298.437	1.381	10	20	CDCD	
COc1cccc(CNCC2CCOCC2)c1O	104091693	HCYJXWCVRFYSHT-UHFFFAOYSA-N	251.326	1.917	10	20	CDCD	
COC(=O)[C@H](NCc1cc2c(cc1O)OCO2)C1CC1	789573225	HNYKXPZICPCRHI-CYBMUJFWSA-N	279.292	1.162	10	20	CDCD	
COCCN1CC[C@@H](N[C@H](C)c2ccccc2O)C1	272830978	HWTBDOWGEPSCBE-CHWSQXEVSA-N	264.369	1.764	10	20	CDCD	
COc1ccc(CN2CC(O)(C(C)C)C2)c(O)c1OC	894823190	YDZCJNPEPSEYJG-UHFFFAOYSA-N	281.352	1.612	10	20	CDCD	
COCC1(NCc2cc(C)cc(OC)c2O)CC1	894352463	VIQHUSXPBKSQKX-UHFFFAOYSA-N	251.326	1.978	10	20	CDCD	
CCN1CCC[C@H]1CN(C)C(=O)Cc1ccc(N)cc1	92621284	IQNWLRGCEVDCMW-HNNXBMFYSA-N	275.396	1.754	10	20	CDCD	
CS[C@@H](CO)[C@H](C)NCc1cc2c(cc1O)OCO2	219065934	QBGWZUNKOCMBLQ-SDBXPKJASA-N	285.365	1.323	10	20	CDCD	
COc1ccc(CNCCCC(=O)O)c(O)c1OC	1604792593	RZRVNHQAKHQQHX-UHFFFAOYSA-N	269.297	1.364	10	20	CDCD	
COC(=O)COc1ccc(N(C)CC[C@H]2CCNC2)cc1	1578813481	PWOOPAHRNSHYSX-CYBMUJFWSA-N	292.379	1.674	10	20	CDCD	
C[C@@H](N[C@H](C)c1cccc(-c2nn[nH]n2)c1O)c1cn[nH]c1	1589954555	YXUALNDUNCWWQZ-RKDXNWHRSA-N	299.338	1.707	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1(C(=O)O)CCC1	1589078817	BPYNMLZKHVCFCK-SECBINFHSA-N	293.319	1.400	10	20	CDCD	
C[C@H](NCc1cc(-c2nn[nH]n2)ccn1)c1ccccc1O	1591769865	JZTHZGVLGJZXIT-JTQLQIEISA-N	296.334	1.818	10	20	CDCD	
CCN(C)c1ccc(CNC[C@@H](O)CC(=O)O)c(C)c1	1776856320	KNAMLQDCTILMIB-AWEZNQCLSA-N	280.368	1.376	10	20	CDCD	
CN(C(=O)[C@H]1CCn2ccnc2C1)c1ccc(N)cc1	877074946	VOUKBYZBQBJAIY-NSHDSACASA-N	270.336	1.691	10	20	CDCD	
Cc1ccc(CN2CCC[C@H](S(C)(=O)=O)C2)c(O)c1	877367355	NTSKQCGCZQHLTD-ZDUSSCGKSA-N	283.393	1.710	10	20	CDCD	
CCN(C)C(=O)[C@@H](C)N[C@@H]1CCc2cccc(O)c21	296243943	AXIHOWWINNCHOU-ZYHUDNBSSA-N	262.353	1.836	10	20	CDCD	
COC[C@](C)(O)CN[C@@H]1CCc2cccc(O)c21	382568214	OXWZXBQWGHHBON-BXUZGUMPSA-N	251.326	1.367	10	20	CDCD	
Cn1nnc(CNCc2ccc(N3CCCC3)cc2)n1	398063388	GTQQHTBHMJKVRD-UHFFFAOYSA-N	272.356	1.100	10	20	CDCD	
COCC[C@H](C)NC(=O)NCc1cccc(OC)c1O	174544797	WAOKHDQMQWMJBI-JTQLQIEISA-N	282.340	1.625	10	20	CDCD	
COc1cc(Cl)cc(CN2CC[C@H](N)C2)c1O	229102624	YVXMCBQPCODKOF-JTQLQIEISA-N	256.733	1.587	10	20	CDCD	
CN(CC(=O)N(C)C)Cc1c(O)cccc1Cl	132125092	HPVHGAFPVBBOAC-UHFFFAOYSA-N	256.733	1.566	10	20	CDCD	
O=C(N[C@H](CCO)c1ccco1)c1cccc(O)c1O	193166401	FAOVCRFYKADXAR-SNVBAGLBSA-N	277.276	1.544	10	20	CDCD	
C[C@@H](CCCO)NC(=O)NCc1ccc(N(C)C)cc1	88480028	IGHBKBSLFDQEBA-LBPRGKRZSA-N	279.384	1.713	10	20	CDCD	
COc1ccc(O)c(CN2CC[C@H](C(=O)O)C2)c1	86790338	BBXXOUKOUKQCFK-VIFPVBQESA-N	251.282	1.307	10	20	CDCD	
CO[C@H](C)CC(=O)NCc1ccc(N(C)C)c(F)c1	195388861	AQCZZAHPLCXJBB-SNVBAGLBSA-N	268.332	1.933	10	20	CDCD	
COc1ccc(N(C)Cc2n[nH]c(=O)[nH]2)cc1Cl	91591533	AEHVHWTTWMAJJB-UHFFFAOYSA-N	268.704	1.396	10	20	CDCD	
O=[N+]([O-])c1cc(Cl)cc(CN2CCC[C@@H]2CO)c1O	92470806	JUIDPXFXQYJMAO-SNVBAGLBSA-N	286.715	1.911	10	20	CDCD	
COC(=O)[C@]1(F)CCN(Cc2cc(C)ccc2O)C1	93888094	HVETWTOKFNHTBI-AWEZNQCLSA-N	267.300	1.788	10	20	CDCD	
COc1ccc(CNC[C@H]2CN3CCC[C@H]3CO2)cc1C	252668404	WLZQDQUSSSRVSI-HOTGVXAUSA-N	290.407	1.956	10	20	CDCD	
COc1ccc(N2CCN(CCCCO)CC2)cc1F	267977645	WFHAPAHVXDIFNE-UHFFFAOYSA-N	282.359	1.729	10	20	CDCD	
Oc1cccc(Cl)c1CNC[C@@H](O)CN1CCCC1	264978895	SYASACJRPXLLNU-LLVKDONJSA-N	284.787	1.592	10	20	CDCD	
Cc1ccc(O)c([C@@H](C)NCCCNS(C)(=O)=O)c1	184920983	GQNBZROOVIHHQM-LLVKDONJSA-N	286.397	1.291	10	20	CDCD	
COC(=O)[C@H](C)NCc1cc(OC)c(OC)cc1O	272442987	UCRSRODYSKSZKD-QMMMGPOBSA-N	269.297	1.061	10	20	CDCD	
CCNC(=O)[C@@H](C)N[C@@H](C)c1ccc(F)c(F)c1O	276145048	CXVJVJNPRVKORC-JGVFFNPUSA-N	272.295	1.846	10	20	CDCD	
O=[N+]([O-])c1ccc(O)c(CN[C@H](CO)C2CCCC2)c1	289423994	CMJFIVHELPMYAZ-CYBMUJFWSA-N	280.324	1.941	10	20	CDCD	
CCC[C@@H](CNC(=O)c1ccc(C)c(O)c1O)OC	296165181	SVLGOFINSNKPQJ-JTQLQIEISA-N	267.325	1.951	10	20	CDCD	
COC(=O)[C@H](NCc1cc(Cl)c(F)cc1O)[C@H](C)O	294834364	YRQWMFYAOOXFMZ-UPONEAKYSA-N	291.706	1.197	10	20	CDCD	
CC1(C)C[C@@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1O	299081628	JSDFHVJSAUQVTD-NSHDSACASA-N	298.364	1.292	10	20	CDCD	
CCOC[C@@H](C)CS(=O)(=O)NCc1ccccc1O	295743802	WSJZWWXUZXBTCZ-LLVKDONJSA-N	287.381	1.484	10	20	CDCD	
OC[C@@H]1CC[C@H](CNCc2cc(Cl)c(F)cc2O)O1	294031474	VQEGHLXDBDRMAI-ZJUUUORDSA-N	289.734	1.814	10	20	CDCD	
C[C@@H](Cc1cnccn1)NC[C@H](N)c1ccc(N(C)C)cc1	817940015	DUUHLBDKADPAPU-GUYCJALGSA-N	299.422	1.763	10	20	CDCD	
COc1ccc(O)c(CN[C@H]2C[C@H](C(=O)OC)C2)c1	827812937	ZZYYAXPREFCFGK-HOMQSWHASA-N	265.309	1.442	10	20	CDCD	
COc1ccc(N(C)Cc2cn(-c3ccn(C)n3)nn2)cc1	906315446	FGFOPQDAXZCJCQ-UHFFFAOYSA-N	298.350	1.646	10	20	CDCD	
CC[C@H](O)[C@H](C)C(=O)N[C@H](C)c1cc(OC)ccc1O	901128044	UDBLILBIGCTLNI-CWSCBRNRSA-N	281.352	1.985	10	20	CDCD	
COCC1(C)CN(Cc2c(O)cccc2OC)C1	839145008	FQEMBXWPRSCUSE-UHFFFAOYSA-N	251.326	1.869	10	20	CDCD	
COc1cccc2c1O[C@@H](c1ccc(O)c(O)c1)NC2=O	916232812	VYAKXBXJPAMGIO-HNNXBMFYSA-N	287.271	1.927	10	20	CDCD	
CC1(C)COC(=O)[C@@H]1NC(=O)c1cc(O)cs1	846656290	LRDLZYULFRFRQL-QMMMGPOBSA-N	255.295	1.135	10	20	CDCD	
COCCCNC(=O)N(C)Cc1ccccc1O	42900239	HZPHWDGOABXXHV-UHFFFAOYSA-N	252.314	1.570	10	20	CDCD	
COc1ccc(O)c(CN[C@@H]2CC[C@H](C(N)=O)C2)c1	825280214	YVZPQZNXKKYHPW-GXSJLCMTSA-N	264.325	1.144	10	20	CDCD	
COc1cccc([C@H](C)NC[C@H]2CCS(=O)(=O)C2)c1O	846137637	VGFXOSNGYDPMBP-WDEREUQCSA-N	299.392	1.486	10	20	CDCD	
CCc1cc(CNC(=O)NCCc2ccc(N)cc2)on1	841833532	JEUJPAKJTJLDOZ-UHFFFAOYSA-N	288.351	1.861	10	20	CDCD	
Nc1ccc(Cc2noc(C3(C(=O)NC4CC4)CC3)n2)cc1	843159022	KWNNKCWTLNMJPZ-UHFFFAOYSA-N	298.346	1.553	10	20	CDCD	
COCC1(CC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)CC1	843851251	LZGNJCGHYUZQPW-NSHDSACASA-N	293.363	1.962	10	20	CDCD	
COC[C@@H](CNCc1cc(F)c(N(C)C)cc1F)OC	858156988	AFPYVAWDHZPEDP-LLVKDONJSA-N	288.338	1.782	10	20	CDCD	
Cc1ccc(C(=O)NC2COC(C)(C)OC2)c(O)c1O	756733276	NSGORCMANFGUAG-UHFFFAOYSA-N	281.308	1.288	10	20	CDCD	
Cn1ncnc1C(=O)NCc1ccc(N2CC=CC2)cc1	853801483	AQBFZONYDICEGT-UHFFFAOYSA-N	283.335	1.121	10	20	CDCD	
C[C@@H]1CCNC(=O)[C@H]1NCc1ccc2c(c1)CCCO2	922101061	STTAQZNFPQZCFN-ABAIWWIYSA-N	274.364	1.626	10	20	CDCD	
CN(C)c1cc(F)c(CN[C@H]2CCOC2)cc1F	858152819	ALQTYJLSAGVAED-JTQLQIEISA-N	256.296	1.909	10	20	CDCD	
CC[C@@H](O)CN[C@@H](C)c1cc([N+](=O)[O-])ccc1O	850533111	ZQXHCTLUGFZVCG-WCBMZHEXSA-N	254.286	1.722	10	20	CDCD	
NC(=O)c1cc(CNCc2cc(Cl)cc(F)c2O)on1	757906821	PFPSFMKEVGKZJK-UHFFFAOYSA-N	299.689	1.561	10	20	CDCD	
CC[C@@](C)(O)C(=O)N[C@@H](C)c1cc(OC)ccc1O	934940099	HYCXHMSHSWLMSY-LKFCYVNXSA-N	267.325	1.739	10	20	CDCD	
CCOC(=O)COC(=O)/C=C\c1ccc(O)c(O)c1	759596959	XIRQQAPRNRTNFP-XQRVVYSFSA-N	266.249	1.217	10	20	CDCD	
COC(=O)C1(n2cc(COc3ccc(N)cc3)nn2)CC1	864629258	GZLARXALIKYODE-UHFFFAOYSA-N	288.307	1.101	10	20	CDCD	
CCn1ncc(C(=O)NCc2cc(OC)ccc2O)c1C	866767138	KOGXEGKTCUYBPB-UHFFFAOYSA-N	289.335	1.856	10	20	CDCD	
Cc1cccc(O)c1CN1CCN(CC[S@](C)=O)CC1	876762169	ASKIYESMHWRUNJ-FQEVSTJZSA-N	296.436	1.197	10	20	CDCD	
C[C@H](NC(=O)Cc1cc[nH]n1)c1ccc(N(C)C)cc1	775409369	FSYFDYIGIKLHGA-NSHDSACASA-N	272.352	1.896	10	20	CDCD	
CCCNC(=O)[C@H](C)OC(=O)/C=C/c1ccc(O)c(O)c1	772773011	AJNGMDJSFPBIHW-STUBTGCMSA-N	293.319	1.569	10	20	CDCD	
Cc1ccc(CN2CC[C@@H]3COC(=O)N[C@H]3C2)c(O)c1	877607593	DPSMADVQQSNORN-OLZOCXBDSA-N	276.336	1.631	10	20	CDCD	
COC(=O)CCCN(C)C(=O)/C=C\c1ccc(O)c(O)c1	779498326	PWHLNGWDPWEYLL-VURMDHGXSA-N	293.319	1.523	10	20	CDCD	
C[C@H](NC(=O)C1CC(=O)C1)c1ccc(N(C)C)cc1	773016274	ATELNMGZKCELSK-JTQLQIEISA-N	260.337	1.909	10	20	CDCD	
CC(=O)N[C@@H](C(=O)N(C)c1ccc(N)cc1)C1CCCC1	877080323	HWJJROCHEXPJKB-OAHLLOKOSA-N	289.379	1.927	10	20	CDCD	
C[C@H](NCCN1CC[C@H](O)C1)c1c(O)cccc1F	886645057	QOVBNWOKJPCDJB-QWRGUYRKSA-N	268.332	1.249	10	20	CDCD	
CSC[C@H](CCO)NC(=O)/C=C\c1ccc(O)c(O)c1	779532191	FSYBOVJKGBVBLA-MZBZXASESA-N	297.376	1.341	10	20	CDCD	
CNc1ccc(C(=O)NCCc2ccc(O)c(O)c2)cn1	788305520	DIYHUGRQTKUGMT-UHFFFAOYSA-N	287.319	1.507	10	20	CDCD	
O=C(COC(=O)[C@H]1CCCS1)c1ccc(O)c(O)c1	783951442	SWOYAJYRQGZYDF-GFCCVEGCSA-N	282.317	1.719	10	20	CDCD	
CC(C)N1CCN(Cc2cc(F)cc(F)c2O)CC1=O	894431730	SLHBTWFBCXTVKG-UHFFFAOYSA-N	284.306	1.723	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CCc3nn[nH]c3C2)c1O	788469921	ROQJTJZIQNXLEK-UHFFFAOYSA-N	290.298	1.410	10	20	CDCD	
CS(=O)(=O)[C@H]1CCN(Cc2cc(F)cc(F)c2O)C1	894670017	DWLBGWLZJNAKCU-JTQLQIEISA-N	291.319	1.289	10	20	CDCD	
CCNC(=O)[C@H](C)NCc1c(O)cccc1Cl	83551509	XTIWPHJBLGZFEL-QMMMGPOBSA-N	256.733	1.660	10	20	CDCD	
CC1CCN(C(=O)CN(C)c2ccc(N)cc2)CC1	702103202	CWIQDFKMBUYOAW-UHFFFAOYSA-N	261.369	1.964	10	20	CDCD	
CCOc1ccc(CNC[C@@H](O)C(F)(F)F)c(O)c1	790999737	HXUZLPBVRDRURQ-LLVKDONJSA-N	279.258	1.804	10	20	CDCD	
CCN(CC)C(=O)CN(C)Cc1cc(F)cc(F)c1O	708434897	WNEJBEUKYUGVQH-UHFFFAOYSA-N	286.322	1.971	10	20	CDCD	
COc1ccc(CNC(=O)CC(F)(F)F)c(O)c1	794379511	OIERISCKYPPGQZ-UHFFFAOYSA-N	263.215	1.969	10	20	CDCD	
C[C@@H](NC[C@@H]1CN(C)CCN1C)c1cc(F)ccc1O	94618238	DDGDQEYVHYGYTN-DGCLKSJQSA-N	281.375	1.428	10	20	CDCD	
CC1=CCCN(C(=O)C(=O)N(C)Cc2ccccc2O)C1	1327261744	PKEHXIQGCNBRII-UHFFFAOYSA-N	288.347	1.529	10	20	CDCD	
Nc1ccc(CNC(=O)N2C[C@@H]3[C@@H](C2)[C@H]2C=C[C@H]3O2)cc1	1346738613	IKRCDHCZORHGCD-KBUPBQIOSA-N	285.347	1.364	10	20	CDCD	
C[C@H](O)CCCN[C@H](C)c1cc(C(=O)O)ccc1O	1604383588	DDFRBUZPTBJWMW-VHSXEESVSA-N	267.325	1.902	10	20	CDCD	
Nc1ccc(CC(=O)NCCc2ccccn2)cc1	19516190	AYAWVYLZVCHXFW-UHFFFAOYSA-N	255.321	1.565	10	20	CDCD	
C[C@H](NC(=O)c1coc(-c2nn[nH]n2)c1)c1ccccc1O	1591769529	XZKZABAGYBDVMW-QMMMGPOBSA-N	299.290	1.656	10	20	CDCD	
C[C@H](CNCc1cc([N+](=O)[O-])ccc1O)[C@H](F)C(=O)O	1776424909	RKYRPIODINNNSB-HQJQHLMTSA-N	286.259	1.449	10	20	CDCD	
CN(C)c1ccc(CNCCCC(C(=O)O)C(=O)O)cc1	1777040020	FGYLUJQUDHGWKJ-UHFFFAOYSA-N	294.351	1.408	10	20	CDCD	
CCONC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	162439836	GNMARSWSDWAOHA-LBPRGKRZSA-N	293.367	1.835	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)C1(N(C)C)CCC1	158752268	FXHXOKXIYZJKHM-UHFFFAOYSA-N	262.353	1.835	10	20	CDCD	
Nc1ccc(NC(=O)N2[C@H]3CC[C@H]2CC(=O)NC3)cc1	859697241	ALKHPGZFEWWESB-RYUDHWBXSA-N	274.324	1.154	10	20	CDCD	
CC(C)C[C@H](NC(=O)Cc1ccc(N)cc1)C(=O)O	40471161	DGGGNKMKOOJRPZ-LBPRGKRZSA-N	264.325	1.427	10	20	CDCD	
CCN(Cc1ccccc1O)[C@H]1CCS(=O)(=O)C1	179557978	YXBNCDSUVZSCET-LBPRGKRZSA-N	269.366	1.401	10	20	CDCD	
CC[C@H](CO)NC(=O)NCc1ccc(N(C)C)cc1C	304235358	PMGOJUJGCBJYRA-CYBMUJFWSA-N	279.384	1.631	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NC[C@@H]2CC[C@H](O)C2)cc1	189810468	BUBMPYGLQDTPOK-HIFRSBDPSA-N	291.395	1.713	10	20	CDCD	
O=C(O)C[C@@H]1CN(Cc2c(O)cccc2Cl)CCO1	128838092	BAPDTAOHWAOFSK-SECBINFHSA-N	285.727	1.721	10	20	CDCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)C1CC1	79606300	YLXFPVXPFRMXRV-UHFFFAOYSA-N	288.391	1.922	10	20	CDCD	
COc1cccc(CN2CC[C@@H](N)[C@@H](C)C2)c1O	227056762	NWELMVBKDFDFAQ-CMPLNLGQSA-N	250.342	1.570	10	20	CDCD	
CC(C)(C)[C@H](N)CC(=O)NCc1ccccc1O	228423215	MVGIHIBASWXJKC-GFCCVEGCSA-N	250.342	1.772	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CNC[C@H]2CCCO2)cc1	237082582	WFBVNJSNUJQRDR-OAHLLOKOSA-N	291.395	1.137	10	20	CDCD	
Cc1nn2cccnc2c1C(=O)Nc1ccc(N)cc1	237628373	LQKHNTNXIIRCBZ-UHFFFAOYSA-N	267.292	1.872	10	20	CDCD	
Cc1cc(O)c(CN2C[C@@](C)(CO)[C@@](C)(CO)C2)cc1C	529669363	WLGDLLDVMWHOTO-CALCHBBNSA-N	293.407	1.822	10	20	CDCD	
CCCCO[C@H](C)C(=O)NCCc1ccc(O)c(O)c1	269247622	WSDPIOSXZSSUST-LLVKDONJSA-N	281.352	1.962	10	20	CDCD	
CC[C@H](C)[C@H](NC(=O)c1ccc(C)c(O)c1O)C(=O)OC	272894958	ZUFMWYIKEVHQLX-KWQFWETISA-N	295.335	1.724	10	20	CDCD	
O=C(NCC1(O)CCCCC1)c1c(F)ccc(O)c1O	276517024	BYFCASXXOCKJBR-UHFFFAOYSA-N	283.299	1.662	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)CNC(=O)O	285716202	PWNVCVTUKDCYRA-UHFFFAOYSA-N	266.297	1.398	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@H](N)C2CCOCC2)cc1	282616321	LRRFDPMTLXQGOJ-OAHLLOKOSA-N	291.395	1.123	10	20	CDCD	
CC(=O)C(=O)COC(=O)COc1ccc(Cl)c(C)c1	808486993	QFGPDIDNKAHBAS-UHFFFAOYSA-N	284.695	1.729	10	20	CDCD	
CC[C@H](O)CNC(=O)NCc1ccc(N(C)C)c(F)c1	291630205	AJBFVFSBGMIDNQ-NSHDSACASA-N	283.347	1.462	10	20	CDCD	
COC[C@H](O)CN[C@@H]1C[C@H](C)c2c(F)ccc(O)c21	802310476	VYIXYZHNQVHVBZ-IQJOONFLSA-N	269.316	1.677	10	20	CDCD	
CC1(CN2C(=O)CN(Cc3ccccc3O)C2=O)COC1	819168253	NXMOGSIGLLFYCZ-UHFFFAOYSA-N	290.319	1.193	10	20	CDCD	
Cc1cc(CN(C)[C@@]2(CO)CCOC2)ccc1N(C)C	815086498	KVBVGTDIEGGLCO-MRXNPFEDSA-N	278.396	1.644	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@H]2CC[C@@H](CN)C2)c1	817983135	YSUYMGJJQROBHO-LOWVWBTDSA-N	292.379	1.957	10	20	CDCD	
CCN(C)c1ccc(CN[C@H]2C(=O)NCC[C@H]2C)cc1	815108530	YXZQBGLJRWGSMQ-IUODEOHRSA-N	275.396	1.757	10	20	CDCD	
COc1ccc(CNC(=O)[C@H](C(C)C)[C@H](C)N)c(O)c1	818000054	DURAFLFDANLFGS-IINYFYTJSA-N	280.368	1.636	10	20	CDCD	
CN(C)c1ccc(CN2C[C@H](CO)OC(C)(C)C2)cc1F	817412862	PTBNFUSBLWOFPB-CYBMUJFWSA-N	296.386	1.863	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N2CCO[C@@H]3C[C@H]32)cc1	813560726	LDODGNSFGVYTIF-ZIAGYGMSSA-N	275.352	1.435	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2nccnc2N)c1	729279741	AEYKYJNRTUAYPL-MRVPVSSYSA-N	288.307	1.264	10	20	CDCD	
Cc1cc(O)c(CNCC2(CO)COC2)cc1Cl	825371568	YXBXHGMTTLIERN-UHFFFAOYSA-N	271.744	1.453	10	20	CDCD	
COc1cc(O)c(CN2CCc3nn[nH]c3C2)cc1OC	827885150	RQBDKGZXCYEWHI-UHFFFAOYSA-N	290.323	1.086	10	20	CDCD	
O=C(/C=C\c1cccnc1)N1CCCc2n[nH]cc21	493542597	BAHLUYUILNCAJH-WAYWQWQTSA-N	254.293	1.797	10	20	CDCD	
Cc1[nH]nc(C(=O)NCCCSc2nccs2)c1O	747662424	XXJBGNRKQWVPGY-UHFFFAOYSA-N	298.393	1.792	10	20	CDCD	
COC1(C(=O)NCc2ccc(O)cc2O)CCC1	910950256	UQGRIZFIDSZCAV-UHFFFAOYSA-N	251.282	1.283	10	20	CDCD	
CCC(CC)(CO)C(=O)NCCc1ccc(O)c(O)c1	847589413	JBWYABUQBCDXNO-UHFFFAOYSA-N	281.352	1.555	10	20	CDCD	
CCOCc1cc(CN[C@H](C)CN)ccc1OC	841060418	YKQJJSFEUFZPER-LLVKDONJSA-N	252.358	1.669	10	20	CDCD	
CC(=O)NCCN(C)Cc1cc(C)cc(C)c1O	842631884	QBAYFUHXUPYASP-UHFFFAOYSA-N	250.342	1.577	10	20	CDCD	
C[C@H](CCCN)NCc1ccc(N2CCN(C)CC2)cc1	841081347	VBMIGSLHLRNQTA-OAHLLOKOSA-N	290.455	1.655	10	20	CDCD	
COc1cccc([C@H](C)NC[C@@H](C)S(C)(=O)=O)c1O	846156294	DBLAEDUYKCTGSG-ZJUUUORDSA-N	287.381	1.485	10	20	CDCD	
Fc1cc(CNC[C@H]2CCCN2)ccc1N1CCOCC1	841037058	YGCCOOHBJCISJW-CQSZACIVSA-N	293.386	1.504	10	20	CDCD	
CC[C@@H](CN1CCOCC1)NCc1ccc(N(C)C)cc1	922591193	QNKSJNPACOQMGK-INIZCTEOSA-N	291.439	1.953	10	20	CDCD	
CNC(=O)C(C)(C)CN[C@H](C)c1cc([N+](=O)[O-])ccc1O	756782670	SYXNDWCHWFSCES-SECBINFHSA-N	295.339	1.723	10	20	CDCD	
c1csc(Sc2nnc(N3CCOCC3)s2)n1	920337321	KKQYGROPPKAWHD-UHFFFAOYSA-N	286.407	1.982	10	20	CDCD	
C[C@@H]1CCN(Cc2cc(F)ccc2O)C[C@H]1CO	857061809	VWWHBBRYWXVRRV-PWSUYJOCSA-N	253.317	1.982	10	20	CDCD	
CCOCCn1cc(C(=O)NCc2ccc(N)cc2)cn1	857096726	FOYPGXVEECSCGU-UHFFFAOYSA-N	288.351	1.432	10	20	CDCD	
COC(=O)C[C@H](C)C(=O)NCc1cc(C)ccc1O	862757808	DVXVVWIWOPTKEX-JTQLQIEISA-N	265.309	1.516	10	20	CDCD	
CCc1cccc(CN[C@@H](C)C(=O)N(C)OC)c1O	862539752	UVGIAKBHQLLCLO-JTQLQIEISA-N	266.341	1.453	10	20	CDCD	
COc1cc(CN2CC[C@H](OC)C2)c(O)cc1C	768463104	GIKJFPLSACGEJH-LBPRGKRZSA-N	251.326	1.930	10	20	CDCD	
CNS(=O)(=O)CCCNCc1cccc(Cl)c1O	877689796	RNWILMGWFUTSCO-UHFFFAOYSA-N	292.788	1.075	10	20	CDCD	
COC(=O)[C@H](O)C1CCN(Cc2ccc(N)cc2)CC1	1120370917	JVBRYQJHBUFUPE-CQSZACIVSA-N	278.352	1.015	10	20	CDCD	
C[C@H](NCCN1CCO[C@H](C)C1)c1c(O)cccc1F	886524827	RWLCZWBVRFKWIU-NEPJUHHUSA-N	282.359	1.903	10	20	CDCD	
C[C@H](NCC(=O)NCC(F)F)c1ccccc1O	271700374	TXLABNAOQOSRHI-QMMMGPOBSA-N	258.268	1.424	10	20	CDCD	
CCOc1cccc(CN2C[C@@H](O)C[C@H]2C)c1O	788266792	BQXOGFDVNQMLQX-PWSUYJOCSA-N	251.326	1.746	10	20	CDCD	
NC[C@@H]1CN(Cc2c(O)cccc2Cl)CCO1	164675425	YMWVKFUTNNLYOQ-SECBINFHSA-N	256.733	1.205	10	20	CDCD	
O=C(CCc1cnc[nH]1)NCc1ccc(O)c(O)c1	793690682	XGBFEGSCLROXLF-UHFFFAOYSA-N	261.281	1.070	10	20	CDCD	
COc1ccc(CNC(=O)[C@H](C)n2cccn2)c(O)c1	794382317	VMADZSQZJOMWCO-JTQLQIEISA-N	275.308	1.475	10	20	CDCD	
CCc1cccc(CNCC[C@H](O)COC)c1O	691493762	KVNGSNZFWOVADF-ZDUSSCGKSA-N	253.342	1.442	10	20	CDCD	
C[C@H](NCc1ccc(Br)cc1O)C(=O)O	691403775	OCRVREIKTNIDSH-LURJTMIESA-N	274.114	1.717	10	20	CDCD	
COc1cccc(O)c1CN1CCCN(C(C)=O)CC1	768215366	DXWYGYIYLXOSMW-UHFFFAOYSA-N	278.352	1.455	10	20	CDCD	
O=[N+]([O-])c1ccc(O)c(CN[C@@H](CO)C2CCOCC2)c1	1321542496	NJDKLAFKQIZUCC-ZDUSSCGKSA-N	296.323	1.178	10	20	CDCD	
Nc1ccc(CNC(=O)N[C@H](CO)C2CCCC2)cc1	1337018996	OICIBVQFKMIEJJ-CQSZACIVSA-N	277.368	1.619	10	20	CDCD	
C[C@H](CCCCN)NC(=O)NCc1ccc(N)cc1	1335557031	ZRLIVZXLCWVBFC-LLVKDONJSA-N	264.373	1.586	10	20	CDCD	
COCCN(CCOC)C(=O)NCc1ccc(N)cc1	1337026244	VETJKMCTWVUKIO-UHFFFAOYSA-N	281.356	1.073	10	20	CDCD	
CCOC(=O)C[C@H](C)CNC(=O)NCc1ccc(N)cc1	1262578909	BJKRVAVLAKIUGL-NSHDSACASA-N	293.367	1.657	10	20	CDCD	
Cn1cc(NC(=O)c2c(F)ccc(O)c2O)cc1C(=O)O	1608120741	PQXZFLJWDVMFCC-UHFFFAOYSA-N	294.238	1.526	10	20	CDCD	
C[C@H](NCc1nccn1C)c1cc(C(=O)O)ccc1O	1604350412	VEWWVCSIDDEETA-VIFPVBQESA-N	275.308	1.675	10	20	CDCD	
CNC(=O)[C@]1(C)CCN(Cc2cccc(OC)c2O)C1	228099067	GPBKARBNJDNWCL-OAHLLOKOSA-N	278.352	1.359	10	20	CDCD	
O=C(NCc1ccccc1O)c1ccc([N+](=O)[O-])o1	133942933	ZSIADPQMPXETSX-UHFFFAOYSA-N	262.221	1.823	10	20	CDCD	
CC[C@@H](N[C@H]1C[C@H](O)C1)c1cccc(-c2nn[nH]n2)c1O	1590471379	DEPSOBIPNPSUFQ-KBVBSXBZSA-N	289.339	1.136	10	20	CDCD	
CO[C@H](C(=O)O)C(=O)NCc1c(O)ccc2ccccc12	1593909434	WXKZTCPACKMSQK-ZDUSSCGKSA-N	289.287	1.261	10	20	CDCD	
COc1ccc(O)c([C@H](C)N[C@H]2C[C@@H](C(=O)O)C2)c1	1594106510	XCFYOTXATUEVJX-LPEHRKFASA-N	265.309	1.915	10	20	CDCD	
C[C@H](NCc1cnn(C)n1)c1cc(C(=O)O)ccc1O	1593311516	GSOYIYLSHXFMKO-QMMMGPOBSA-N	276.296	1.070	10	20	CDCD	
COc1cccc(O)c1CNCCO[C@@H]1CCOC1	922938244	BPIZQQZLPLVQMF-LLVKDONJSA-N	267.325	1.296	10	20	CDCD	
CC(C)[C@@](C)(O)CNC(=O)Nc1ccc(N)cc1	841299703	IKPDPSHZBYYXCD-ZDUSSCGKSA-N	251.330	1.797	10	20	CDCD	
Cc1ccc(CN[C@H](C)CCS(C)(=O)=O)c(O)c1	877088737	IBCUDVSDDFADQQ-LLVKDONJSA-N	271.382	1.613	10	20	CDCD	
CCN1CCC(NCc2cccc(OC)c2O)CC1	38097915	HWJANMJBGNLLKD-UHFFFAOYSA-N	264.369	1.975	10	20	CDCD	
CO[C@]1(C(=O)O)CCN(Cc2ccccc2O)C1	703748428	IDRMIMSSPMQJJL-CYBMUJFWSA-N	251.282	1.068	10	20	CDCD	
Cc1noc(CN(C)C(=O)c2cccc(O)c2O)n1	706374908	BPLXYWBKQKBOKZ-UHFFFAOYSA-N	263.253	1.061	10	20	CDCD	
O=C(NCc1ccccc1O)c1cc(C(=O)O)on1	1601544162	LKCUUNJYTSFGTM-UHFFFAOYSA-N	262.221	1.008	10	20	CDCD	
Cc1ccc(C(=O)OCCn2cccn2)c(O)c1O	110530944	YDFRZWFUINXFPM-UHFFFAOYSA-N	262.265	1.460	10	20	CDCD	
C[C@@H](N[C@H]1CCC(=O)N(C)C1)c1ccc(F)c(F)c1O	187728452	JUUZJQWGKCPLSG-BDAKNGLRSA-N	284.306	1.942	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccnn1C	183459458	UYQQNSJVDFTFPK-VIFPVBQESA-N	275.308	1.192	10	20	CDCD	
C[C@@H](CO)CCCNC(=O)c1cccc(O)c1O	229416827	OCODOHXLUGAJIO-SECBINFHSA-N	253.298	1.236	10	20	CDCD	
CC1CC(NC(=O)c2cc(NS(C)(=O)=O)ccc2O)C1	80117283	QGYREBSEYRHOLK-UHFFFAOYSA-N	298.364	1.292	10	20	CDCD	
Cc1cc(NS(=O)(=O)C[C@H]2CCCO2)ccc1O	148642820	BNYTTWFOACOJEP-LLVKDONJSA-N	271.338	1.621	10	20	CDCD	
COC(=O)[C@@H](C)CN(C)Cc1cccc(OC)c1O	91986603	DOMKLDNAZRUVPZ-JTQLQIEISA-N	267.325	1.642	10	20	CDCD	
CCN1CCOC[C@@H]1C(=O)N(C)Cc1ccccc1O	378361424	NQBNOWKZOZEXIW-CYBMUJFWSA-N	278.352	1.071	10	20	CDCD	
COC[C@@H](C)CNC(=O)c1c(F)ccc(O)c1O	294711296	AFUCEMCLCFUWHE-ZETCQYMHSA-N	257.261	1.249	10	20	CDCD	
C[C@H](NCc1cc(Cl)ccc1O)C(=O)NCCF	800292487	RDQWBYYXQSUHMP-QMMMGPOBSA-N	274.723	1.609	10	20	CDCD	
C[C@H]1C[C@@H](C)O[C@H]1C(=O)OCC(=O)c1ccc(O)c(O)c1	800299650	KPSGEHNBZMGING-ATEUNZGCSA-N	294.303	1.637	10	20	CDCD	
COc1ccc(O)c(CNC[C@@H]2CCOC[C@@H]2OC)c1	824709756	SOPORLWCWYIYDE-NHYWBVRUSA-N	281.352	1.542	10	20	CDCD	
COCC(COC)NCc1cc(C)c(C)cc1O	824921396	KZHBULBZIKEXSI-UHFFFAOYSA-N	253.342	1.760	10	20	CDCD	
Cc1nc[nH]c1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	821807517	USLBYPBLFKFBNL-QMMMGPOBSA-N	275.308	1.490	10	20	CDCD	
C[C@H](NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)C(=O)O	904273071	PZHXQWMGBZGKCO-FZMZJTMJSA-N	279.384	1.418	10	20	CDCD	
CN(C)c1ccc([C@H](N)CNC(=O)c2ccccn2)cc1	832285429	QMGGGVCIWFAWAC-CQSZACIVSA-N	284.363	1.577	10	20	CDCD	
CCc1noc(C(=O)N[C@H](C)c2ccccc2O)n1	902714079	OMFROTBJIFECEU-MRVPVSSYSA-N	261.281	1.829	10	20	CDCD	
COc1cc2c(c(OC)c1)N(CCn1cncn1)CCC2	839656671	RBWFCJFGGROICM-UHFFFAOYSA-N	288.351	1.748	10	20	CDCD	
CN(C(=O)c1cc(O)cs1)[C@H]1CC(C)(C)OC1=O	832822704	JWSJDPMNYHKXLG-QMMMGPOBSA-N	269.322	1.620	10	20	CDCD	
C[C@@H]1CC[C@@H](CNC(=O)NCCc2ccc(N)cc2)O1	841915164	MTPYIOSXHNILMM-RISCZKNCSA-N	277.368	1.678	10	20	CDCD	
Nc1ccc(CCNC(=O)NCCc2ccccn2)cc1	841506278	INSAKAZWBAIUAR-UHFFFAOYSA-N	284.363	1.748	10	20	CDCD	
CC(C)(CO)C(=O)NCCCSc1nccs1	847487754	KFXVTGHUVHMEKO-UHFFFAOYSA-N	274.411	1.760	10	20	CDCD	
Cc1cccc(CN2CCCO[C@H](CN)C2)c1O	841100169	FCHLDSWZNLHAIX-CYBMUJFWSA-N	250.342	1.250	10	20	CDCD	
C[C@@H]1NCCN(Cc2ccc(N3CCOCC3)cc2)[C@H]1C	843056923	CHDJOYQACWLBBM-GJZGRUSLSA-N	289.423	1.705	10	20	CDCD	
Oc1cc2c(cc1CN1CCC3(CCNCC3)C1)OCO2	843120205	WPPGHTSOYYBWBM-UHFFFAOYSA-N	290.363	1.696	10	20	CDCD	
COc1cccc(CN[C@@H](CC(C)C)C(=O)O)c1O	43432027	BRVQYCSUDMPMTH-NSHDSACASA-N	267.325	1.990	10	20	CDCD	
CC[C@H]1CC[C@H](C)N1C(=O)C(=O)Nc1ccc(N)cc1	841113863	WIOJYMURGGNNHQ-GWCFXTLKSA-N	275.352	1.997	10	20	CDCD	
C[C@@H]1CCNC(=O)[C@@H]1NCc1ccc2c(c1)CCCO2	922101063	STTAQZNFPQZCFN-IAQYHMDHSA-N	274.364	1.626	10	20	CDCD	
C[C@@H]1NCCC[C@H]1NC[C@@H](N)c1ccc(N(C)C)cc1	925690375	JIXJTURINNOYEM-APHBMKBZSA-N	276.428	1.483	10	20	CDCD	
C[C@H](NC(=O)C(C)(C)O)c1ccc(N2CCOCC2)cc1	756812869	QLSGDSCLKGYOBH-LBPRGKRZSA-N	292.379	1.471	10	20	CDCD	
O=C1CN(Cc2ccccc2O)CN1CC(F)(F)F	754154852	RSQAOXPWNICABN-UHFFFAOYSA-N	274.242	1.556	10	20	CDCD	
CC[C@@H](O)CN[C@@H](C)c1cc(C(=O)OC)ccc1O	850529126	NQHCZLZONIBVQU-GXSJLCMTSA-N	267.325	1.600	10	20	CDCD	
C[C@H](NCCN1CC[C@H](O)C1)c1ccc(N(C)C)cc1	858598507	FKGJRQVNBYRSLM-BBRMVZONSA-N	277.412	1.470	10	20	CDCD	
COC(=O)[C@@H]1CC[C@H](NC(=O)c2ccc(C)c(O)c2O)C1	926494953	NFPRHILFBHHOKO-ZJUUUORDSA-N	293.319	1.478	10	20	CDCD	
C[C@H](NCCN1CCOC[C@H]1C)c1ccc(F)cc1O	756537372	YJTQQANPZQFVJH-NEPJUHHUSA-N	282.359	1.903	10	20	CDCD	
c1cc2c(cc1CNCc1nnnn1CC1CC1)CCO2	769936875	ZZUFAEHFFHHGMW-UHFFFAOYSA-N	285.351	1.308	10	20	CDCD	
CC[C@@H](C[C@@H](C)CO)NC(=O)c1cc(O)cs1	765310743	MIHCROSPRLLZFB-BDAKNGLRSA-N	257.355	1.981	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCC[C@H]1[C@@H](O)C(F)(F)F	760178884	YAPMSCNGZLZZQN-IONNQARKSA-N	295.282	1.982	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)c1ncc2n1CCCC2	866768517	CFLFDGQTGHLCSD-UHFFFAOYSA-N	287.319	1.561	10	20	CDCD	
CN1CC[C@@H](C(=O)N(C)Cc2ccc(N(C)C)cc2)C1=O	771946964	MVULZPBLURCTKV-CQSZACIVSA-N	289.379	1.189	10	20	CDCD	
CCCNC(=O)CN(CC(=O)O)c1ccc(OC)cc1	872887724	YZXZSHPMTSDJGH-UHFFFAOYSA-N	280.324	1.112	10	20	CDCD	
Cc1ccc(CN2CC[C@H](N3CCOC3=O)C2)c(O)c1	877626639	XPUVVHXDODGTMS-ZDUSSCGKSA-N	276.336	1.727	10	20	CDCD	
NC(=O)c1ccc(C(=O)NCc2ccc(O)c(O)c2)s1	778922226	FFRLTKYRONIVKY-UHFFFAOYSA-N	292.316	1.188	10	20	CDCD	
C[C@@H](NC[C@H]1CCCNC1=O)c1c(O)cccc1F	886625772	ZSRMNIPJKYHRPY-NXEZZACHSA-N	266.316	1.708	10	20	CDCD	
CC(C)(C)OC(=O)[C@](C)(O)CNCc1cc(F)ccc1O	776521304	VYRORVOUDGAVMI-OAHLLOKOSA-N	299.342	1.714	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)N[C@H]1CCOC1=O	1123699522	QUPXARHYGUTZDJ-LBPRGKRZSA-N	292.335	1.629	10	20	CDCD	
CCCN(C(=O)c1ccc(C)c(O)c1O)[C@@H](C)C(=O)OC	888612850	HFKQXAUOWZUNJF-JTQLQIEISA-N	295.335	1.820	10	20	CDCD	
CCc1nn(C)cc1S(=O)(=O)Nc1ccc(O)cc1F	882712617	FKOFVZCMIAFFCC-UHFFFAOYSA-N	299.327	1.628	10	20	CDCD	
COc1cc(C)cc(CNC[C@]2(O)CCSC2)c1O	894326657	QMDWFMFMWSWGBG-CQSZACIVSA-N	283.393	1.667	10	20	CDCD	
COc1ccc(CN2CC[C@H](C)[C@H]2CO)c(O)c1OC	893908231	UKENHUCVLVAFSV-CMPLNLGQSA-N	281.352	1.612	10	20	CDCD	
Cc1cncc(/C=C\C(=O)N2CCCc3c(O)ncnc32)c1	893212500	GKTXWAVSQUDUPA-PLNGDYQASA-N	296.330	1.878	10	20	CDCD	
OCC(CO)NCc1cc(Cl)cc(Cl)c1O	83691546	YVIMSJYQIALDDF-UHFFFAOYSA-N	266.124	1.142	10	20	CDCD	
OC[C@H](CNCc1cc(Cl)ccc1O)[C@@H]1CCOC1	795582099	ICFSLICDAABHFW-PWSUYJOCSA-N	285.771	1.780	10	20	CDCD	
COc1cc(O)c(CN2C[C@H](O)C(C)(C)C2)cc1OC	790936376	FNJOCKQQTHFCFJ-AWEZNQCLSA-N	281.352	1.612	10	20	CDCD	
CC(C)[C@H]1CN(Cc2cc3c(cc2O)OCO3)CCO1	709028047	MRCHRGZEXBGQPE-OAHLLOKOSA-N	279.336	1.978	10	20	CDCD	
C[C@@H](NC(=O)[C@H](N)CC(F)F)c1ccccc1O	870988732	XZHLJDIEGHTXTM-VXNVDRBHSA-N	258.268	1.552	10	20	CDCD	
C[C@@H](C[C@@H](C)O)NC(=O)NCc1ccc(N)cc1	1337017650	ASRHWPSBTYQEJE-VHSXEESVSA-N	251.330	1.227	10	20	CDCD	
C[C@@H](N)[C@H]1CCN(C(=O)NCc2ccc(N)cc2)C1	1338793758	UVOUVBWIVOCEDP-PWSUYJOCSA-N	262.357	1.148	10	20	CDCD	
C[C@H]1CCOCCN1C(=O)NCCc1ccc(N)cc1	1338407277	GLXBFBLZKARKCB-LBPRGKRZSA-N	277.368	1.632	10	20	CDCD	
CC[C@H]1C[C@H](C(=O)NCc2cccc(O)c2O)CCO1	1347233315	ICVKPBDNRFTITE-PWSUYJOCSA-N	279.336	1.919	10	20	CDCD	
COCCCN(C)c1nnc(-c2sccc2O)n1C	1355343575	AMWZMMQVBUYPMB-UHFFFAOYSA-N	282.369	1.722	10	20	CDCD	
CC1(C)C[C@@](C)(NC(=O)NCc2ccccc2O)C(=O)O1	1351983277	LCTJNPXJTSWCCE-OAHLLOKOSA-N	292.335	1.676	10	20	CDCD	
CNCCN(C)Cc1cc(Br)ccc1O	220342772	AGUZVDBSGMINQZ-UHFFFAOYSA-N	273.174	1.806	10	20	CDCD	
O=C(NCc1cccc(O)c1O)[C@@H]1CSCCS1	1528771720	VTTOYSJNUICBKS-JTQLQIEISA-N	285.390	1.563	10	20	CDCD	
COc1cccc(O)c1CNCCS(=O)(=O)C(C)C	809790577	KANXPWNJJMTYCY-UHFFFAOYSA-N	287.381	1.314	10	20	CDCD	
C[C@H](CC(=O)O)NC(=O)/C=C\c1ccc(O)c(O)c1	1603124880	XVQVTFOYOHYTNS-QIUOEGRZSA-N	265.265	1.090	10	20	CDCD	
CN(C(=O)C1=CC[C@@H](N)C1)c1ccc([N+](=O)[O-])nc1	1578368898	WVKQQHZMVZLDBV-SECBINFHSA-N	262.269	1.000	10	20	CDCD	
C[C@@H](CN(C)C(=O)/C=C\c1ccc(O)c(O)c1)C(=O)O	1589019583	MSVBXEJXCHYEEI-RNEXMXFGSA-N	279.292	1.290	10	20	CDCD	
COc1ccc(CN[C@@H]2CCC[C@@H]2C(=O)O)c(O)c1OC	1594096038	LZRKMFQMPFHHLR-WDEREUQCSA-N	295.335	1.752	10	20	CDCD	
O=C(COC(=O)C1(C(=O)O)CCC1)c1ccc(O)c(O)c1	1594699357	XRMQMHCQEQSROM-UHFFFAOYSA-N	294.259	1.079	10	20	CDCD	
NC(=O)[C@@H]1CCN(Cc2ccc(N3CCCCC3)cc2)C1	157088410	RKHKVRGUTQEREN-OAHLLOKOSA-N	287.407	1.984	10	20	CDCD	
Nc1ccc(CC(=O)NC[C@H]2CSCCS2)cc1	156992624	JOVATNCBCKTHND-LBPRGKRZSA-N	282.434	1.776	10	20	CDCD	
CCCn1cc(CNCc2ccc3c(c2)CCO3)nn1	865439979	CAOKEOQLDLFVCO-UHFFFAOYSA-N	272.352	1.913	10	20	CDCD	
CCOCCOCCNCc1cc(OC)ccc1O	897204163	KWSIQGCMFWBFQO-UHFFFAOYSA-N	269.341	1.544	10	20	CDCD	
C[C@@H](CCCCO)NCc1cc2c(cc1O)OCO2	295125190	XEDRHIGHBQKXAJ-JTQLQIEISA-N	267.325	1.762	10	20	CDCD	
C[C@@H](N[C@H]1CCN(S(C)(=O)=O)C1)c1ccccc1O	400271320	MSKFPYVCMZZENV-MNOVXSKESA-N	284.381	1.077	10	20	CDCD	
CCOC[C@@H]1CN(Cc2cccc(OC)c2O)CCO1	529666769	NDTXPEPXYIDFCA-ZDUSSCGKSA-N	281.352	1.638	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC[C@@H]2CNC(=O)C2)c1	398335611	KITJNPDOUJVTHR-NXEZZACHSA-N	264.325	1.188	10	20	CDCD	
CCCS(=O)(=O)CCN(C)Cc1ccccc1O	109771151	BDBDZUNBLDDUBJ-UHFFFAOYSA-N	271.382	1.649	10	20	CDCD	
Cc1cccc(CN2CC(=O)N[C@@H]3CCCC[C@@H]32)c1O	179921695	NWDFKKHZQUZYPA-KGLIPLIRSA-N	274.364	1.944	10	20	CDCD	
Oc1c(Cl)cc(Cl)cc1CNC[C@]1(O)CCOC1	229642181	WCCKBDLIZYNDKY-GFCCVEGCSA-N	292.162	1.940	10	20	CDCD	
COC(=O)[C@H]1[C@H](O)CCCN1Cc1cccc(Cl)c1O	188785557	UDIHKEIHLODYRR-VXGBXAGGSA-N	299.754	1.544	10	20	CDCD	
CN(Cc1cnn(C)c1)C(=O)CSc1nccs1	126960912	RTDYEZCWRGZBPF-UHFFFAOYSA-N	282.394	1.627	10	20	CDCD	
COCC[C@H](CO)NCc1ccc2c(c1)CCO2	282108677	DRXQNUZHGXOARI-CYBMUJFWSA-N	251.326	1.109	10	20	CDCD	
CN(Cc1nnc2n1CCC2)C(=O)Cc1ccc(N)cc1	37818500	QCUNYKGZXMEIBW-UHFFFAOYSA-N	285.351	1.008	10	20	CDCD	
CCO[C@@H]1C[C@@H]1C(=O)NCc1ccc(O)c(O)c1	182532341	YTMTUBJROCJQNP-JOYOIKCWSA-N	251.282	1.139	10	20	CDCD	
C[C@H]1CCN(Cc2ccc(N3CCOCC3)cc2)[C@@H]1CO	191185360	IKMCRKKKGMJBRZ-WMLDXEAASA-N	290.407	1.726	10	20	CDCD	
CCNC(=O)N1CCN(c2ccc(OC)c(F)c2)CC1	84732680	KSYHESYYAVQYLD-UHFFFAOYSA-N	281.331	1.686	10	20	CDCD	
C[C@H](NCC(C)(C)OCCO)c1ccccc1O	287170555	CBQCIOGTBDOKDB-NSHDSACASA-N	253.342	1.830	10	20	CDCD	
C[C@H](NC(=O)Cc1ccc(N)cc1)C(C)(C)CN(C)C	237658791	SEMSCGHLMKYHTL-LBPRGKRZSA-N	277.412	1.904	10	20	CDCD	
O=C(NCc1ccccc1O)NOC[C@H]1CCOC1	276248109	HAWIIXATHNBBBV-JTQLQIEISA-N	266.297	1.160	10	20	CDCD	
CCN1CC(=O)N(Cc2ccc(N(C)C)cc2)C1=O	272089662	LRTYUSDZUVHKRT-UHFFFAOYSA-N	261.325	1.537	10	20	CDCD	
CC[C@](C)(CCO)NCc1ccc([N+](=O)[O-])c(OC)c1O	278480319	JHMIDJVUXJPFEA-CQSZACIVSA-N	298.339	1.950	10	20	CDCD	
O=S(=O)(NCc1ccc(N2CCCC2)cc1)C1COC1	276828384	AQAIAOMSLGMHHY-UHFFFAOYSA-N	296.392	1.105	10	20	CDCD	
CCC[C@H](O)CNC(=O)/C=C/c1ccc(O)c(O)c1	272615199	HWRGRFHHYJZZND-ZRQQLDRUSA-N	265.309	1.388	10	20	CDCD	
CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)c1c(F)ccc(O)c1O	276511570	BIBPEWJMLXZSCI-BLBGDKDGSA-N	295.310	1.780	10	20	CDCD	
COC[C@@H](C)OC[C@@H](O)CN(C)c1ccc2c(c1)OCO2	278303157	JLQQLHQSCMQZMO-YPMHNXCESA-N	297.351	1.264	10	20	CDCD	
C[C@@H](CN(C)C)N[C@@H](C)c1cc([N+](=O)[O-])ccc1O	286868366	BNUZJRDSLSLKIN-UWVGGRQHSA-N	267.329	1.901	10	20	CDCD	
C[C@@H](NC(=O)c1c(F)ccc(O)c1O)C1CCOCC1	294797858	BBUYLAUXMRDWAX-MRVPVSSYSA-N	283.299	1.782	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H](C)CCCCO)c1O	294925231	BDXGEEIFZVSLFB-JTQLQIEISA-N	298.339	1.950	10	20	CDCD	
C[C@H](OC[C@@H]1CCCO1)C(=O)NCc1ccc(N)cc1	297136468	HUEYVXKTNNSGEJ-FZMZJTMJSA-N	278.352	1.469	10	20	CDCD	
CC1(C)C[C@H](O)CCN(C(=O)c2c(F)ccc(O)c2O)C1	298252505	FDUJBVLBAMDFPX-SECBINFHSA-N	297.326	1.860	10	20	CDCD	
Cc1ccc(C(=O)N2CC[C@H](O)C[C@@H]2C)c(O)c1O	293982405	VRAHMLMMKBXGFR-UWVGGRQHSA-N	265.309	1.392	10	20	CDCD	
COC[C@@H](NC[C@@H](N)c1ccc(N(C)C)cc1)C1CC1	817943288	UAAQAAAWMZCITK-HZPDHXFCSA-N	277.412	1.767	10	20	CDCD	
Cc1ccc(C(=O)NCCCC2(O)CCC2)c(O)c1O	817646107	KYLCORWZJZHYDB-UHFFFAOYSA-N	279.336	1.831	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)[C@@H](O)C1CC1	830146941	NOIAJUSGBZJJIE-AWEZNQCLSA-N	263.337	1.902	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@@H]2CCCC(=O)N2C)c1	907060432	NVWGNBUFMSAKKJ-LBPRGKRZSA-N	292.335	1.028	10	20	CDCD	
C[C@H]1CN(C(=O)COC(=O)c2cc(O)cs2)C[C@@H](C)O1	732355019	ZYXNIXYIDHYXBF-DTORHVGOSA-N	299.348	1.246	10	20	CDCD	
C[C@H](NC[C@@]1(C)CCC(=O)N1)c1ccc(F)cc1O	834907848	DOASTSVPMCLJAN-LKFCYVNXSA-N	266.316	1.851	10	20	CDCD	
COc1ccc(CNC(=O)C[C@@H](C)CC(=O)O)c(O)c1	911718767	RBQZPKUVMMQCSH-SECBINFHSA-N	281.308	1.518	10	20	CDCD	
C[C@H](NC(=O)NC[C@@H](N)C1CC1)c1ccc(N(C)C)cc1	841881717	CNUXNOAJYXLUBP-XHDPSFHLSA-N	290.411	1.850	10	20	CDCD	
Cn1nncc1CNC(=O)NCc1cc(Cl)ccc1O	845202030	YBLHIBWNSSYTLE-UHFFFAOYSA-N	295.730	1.174	10	20	CDCD	
CNC[C@@H]1CCCN1Cc1ccc(N2CCOCC2)cc1	843054989	BTFJPCCICQZYTR-KRWDZBQOSA-N	289.423	1.707	10	20	CDCD	
CCN1C[C@H](N[C@@H](C)c2cccc(OC)c2O)CC1=O	846169770	TWMYBRYFDHFCPL-WDEREUQCSA-N	278.352	1.672	10	20	CDCD	
Nc1ccc(CCNC(=O)[C@@]2(C(=O)O)CC=CCC2)cc1	849364827	QKESHYOXCAQCJD-MRXNPFEDSA-N	288.347	1.739	10	20	CDCD	
COc1ccc(N(C)CCN(C)C(=O)[C@H](C)N(C)C)cc1	846442780	XFNPTQBQBNAZRF-ZDUSSCGKSA-N	293.411	1.540	10	20	CDCD	
C[C@@H]1C[C@@H](CNC(=O)NCCc2ccc(N)cc2)CCO1	841870050	VNGNSLUDCPUQMJ-OCCSQVGLSA-N	291.395	1.926	10	20	CDCD	
CCNC(=O)CCCC(=O)NCc1cc(Cl)ccc1O	846472042	FRVPJFBKTXJIBX-UHFFFAOYSA-N	298.770	1.968	10	20	CDCD	
CN1CCN(Cc2cccc(Cl)c2O)[C@H](CN)C1	843122410	SCZXAXBNRDVCKJ-LLVKDONJSA-N	269.776	1.120	10	20	CDCD	
C[C@H]1C[C@@H](NCC2(CO)COC2)c2c(O)ccc(F)c21	756759866	NCGIJUCAVGRDFD-GXSJLCMTSA-N	281.327	1.678	10	20	CDCD	
C[C@@]1(C(=O)O)C[C@@H](NCc2ccc3c(c2)CCO3)CCO1	1119615784	RZUQPFSSJBOOAK-BBRMVZONSA-N	291.347	1.733	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)c2cnn(CCF)c2)c1	862756139	QZAQCGHVMLLGRE-UHFFFAOYSA-N	277.299	1.797	10	20	CDCD	
C[C@@H]1CN(Cc2cc3c(cc2O)OC[C@H]3O)CCO1	768442589	UPPYBQLEORUDCF-NOZJJQNGSA-N	265.309	1.039	10	20	CDCD	
C[C@@H](NC(=O)c1cc(O)cs1)C(=O)NCC(F)(F)F	1118556617	ZSNFKCIZRDZUIH-RXMQYKEDSA-N	296.270	1.251	10	20	CDCD	
COCCN(C)C(=N)NCCCSc1nccs1	871604511	FMSBVFKQKIOABN-UHFFFAOYSA-N	288.442	1.728	10	20	CDCD	
Cc1ccc(O)c(CNS(=O)(=O)C[C@@H]2CCCO2)c1	1118878094	RMKGTJHUZXFOJD-LBPRGKRZSA-N	285.365	1.299	10	20	CDCD	
COc1cc(C)cc(CN2CCO[C@@H](OC)C2)c1O	895963917	SBZKVYOHVLTDON-CYBMUJFWSA-N	267.325	1.514	10	20	CDCD	
CCO[C@H]1COCC[C@H]1NCc1cc(C)cc(OC)c1O	894461576	IEYXKZIJCXDXJI-HIFRSBDPSA-N	295.379	1.993	10	20	CDCD	
OC[C@@]12C[C@@H]1CN(Cc1cc(Cl)ccc1O)C2	783747087	ZSESDZQKRZGXEX-MFKMUULPSA-N	253.729	1.860	10	20	CDCD	
COc1ccc(CN(C)C[C@@H]2CCOC2)c(O)c1OC	892178756	CZHWKWXCLBNONX-NSHDSACASA-N	281.352	1.878	10	20	CDCD	
COc1ccc(CN[C@@H]2COC[C@H]2C)c(O)c1OC	896733153	NQDHMSUACGKVEQ-MWLCHTKSSA-N	267.325	1.534	10	20	CDCD	
O=C1CCN(C(=O)c2c(F)ccc(O)c2O)CC1	789955408	ZMXRJPPKVMAZBZ-UHFFFAOYSA-N	253.229	1.042	10	20	CDCD	
COc1ccc(CN[C@H](CO)CCF)c(O)c1OC	895177096	FLBXXMDWSCRXNM-JTQLQIEISA-N	273.304	1.220	10	20	CDCD	
COc1cc(C)cc(CN[C@H](C)C(=O)NCCF)c1O	894665674	CLZGKWKEGYFRHM-SNVBAGLBSA-N	284.331	1.273	10	20	CDCD	
CC[C@@H]1CC[C@H](C(=O)NCCc2ccc(O)c(O)c2)O1	270551232	OUIDNRIDTJQFLF-BXUZGUMPSA-N	279.336	1.714	10	20	CDCD	
CC(C)c1nccn1CCNC(=O)c1cccc(O)c1O	790589042	DCHUWOLDUZOENT-UHFFFAOYSA-N	289.335	1.848	10	20	CDCD	
C[C@H]1CCN(CCNCc2cc3c(cc2O)OCO3)C1	744450208	OVHXWTZFQJXMPQ-NSHDSACASA-N	278.352	1.552	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)[C@@H]1CCSC1	762268560	KOXSQNCVTUJZBC-SNVBAGLBSA-N	267.350	1.510	10	20	CDCD	
COc1ccc(CNCCCNC(=O)[C@H](C)OC)cc1C	1155243725	UHNBFZCDGTVNCB-ZDUSSCGKSA-N	294.395	1.634	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N1CC(O)(C2CC2)C1	1320798240	ZVIMIPQDNZFLCN-KXFIGUGUSA-N	275.304	1.094	10	20	CDCD	
C[C@@H](O)C[C@@H](C)CNC(=O)NCc1ccc(N)cc1	1337019971	WSJMIWLSFQRTFL-GHMZBOCLSA-N	265.357	1.475	10	20	CDCD	
CC(C)[C@@H]1C[C@H]1NC(=O)C(=O)NCCc1ccc(N)cc1	1261378513	CFSJDXOJUCIRAK-UONOGXRCSA-N	289.379	1.088	10	20	CDCD	
CCN(C)C(=O)[C@@H](NC(=O)c1cc(O)cs1)C(C)C	1351012966	OMJNGQVSXNWHIM-NSHDSACASA-N	284.381	1.686	10	20	CDCD	
COCCCCN[C@H](C)c1cccc(-c2nn[nH]n2)c1O	1605088794	XZTMEXJTVXGCNQ-SNVBAGLBSA-N	291.355	1.650	10	20	CDCD	
O=C(O)[C@H](NCc1ccc(F)c(F)c1O)C1CC1	1608550547	UAWBHRRWMYBOAL-SNVBAGLBSA-N	257.236	1.623	10	20	CDCD	
Cc1cc(Cl)cc(CN2CCCNC[C@@H]2C(=O)O)c1O	1607655769	IUZWAQAEHAIUQY-GFCCVEGCSA-N	298.770	1.603	10	20	CDCD	
O=C(O)C[C@]1(NCc2cc(F)c(F)cc2O)CCOC1	1608688125	ZEXJEEJMGWAWIY-CYBMUJFWSA-N	287.262	1.394	10	20	CDCD	
CNC(=O)C(C)(C)CNCc1cc(F)ccc1O	226617271	WSQBPQMTRHNGSI-UHFFFAOYSA-N	254.305	1.393	10	20	CDCD	
CC[C@H](NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)C(=O)O	1595290667	SARPRGBUHFCJAY-GJZGRUSLSA-N	293.411	1.808	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@@H]2CC[C@H]2C(=O)O)c1	1594373405	YLEONORLWNZUCX-GHMZBOCLSA-N	263.293	1.428	10	20	CDCD	
CCCCC[C@@H](NC(=O)Cc1ccc(O)c(O)c1)C(=O)O	1595672046	CSTZQPPYWGHVTE-LLVKDONJSA-N	295.335	1.790	10	20	CDCD	
CC(C)CNC(=O)COc1ccc(N(C)C)c(C(=O)O)c1	1591371128	ZXDBVYLUSBBGOI-UHFFFAOYSA-N	294.351	1.602	10	20	CDCD	
C[C@@](CCF)(NCc1cc(F)ccc1O)C(=O)O	1592505364	AQLUERKCQQCEFL-LBPRGKRZSA-N	259.252	1.824	10	20	CDCD	
Nc1ccc(CCNS(=O)(=O)CC2CCCC2)cc1	261655936	IJZILQMCLMREIX-UHFFFAOYSA-N	282.409	1.921	10	20	CDCD	
Cc1cc(OCC(=O)NCCc2ccc(N)cc2)no1	701382316	MMITZTKVFMXBJC-UHFFFAOYSA-N	275.308	1.303	10	20	CDCD	
Cc1cccc(CNC[C@@H](C)S(C)(=O)=O)c1O	697621039	QTDZMWPIYSEHCF-SNVBAGLBSA-N	257.355	1.223	10	20	CDCD	
COC(=O)CCC(=O)NCc1ccc(N(C)C)c(F)c1	58731565	MTDFBDQPEKYFMJ-UHFFFAOYSA-N	282.315	1.461	10	20	CDCD	
CC[C@@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1)C(N)=O	112536902	SQZUAYPFZRZCFQ-SWLSCSKDSA-N	291.395	1.438	10	20	CDCD	
Oc1cc2c(cc1CN1CC[C@H](N3CC=CC3)C1)OCO2	172932684	QPQAWAHUWARGQI-ZDUSSCGKSA-N	288.347	1.567	10	20	CDCD	
Cc1ccc(C(=O)N2CCN(CC3CC3)CC2)c(O)c1O	177673805	HWLGXEBIJGMMPO-UHFFFAOYSA-N	290.363	1.574	10	20	CDCD	
C[C@@H](C[C@@H](O)c1ccco1)NC(=O)c1cccc(O)c1O	185842961	IPIOCABZTKLSGO-JOYOIKCWSA-N	291.303	1.933	10	20	CDCD	
COc1ccc(N2CCN(C(=O)[C@H](C)C(=O)O)CC2)cc1	76540217	XUZMYPQGLCAVDF-NSHDSACASA-N	292.335	1.065	10	20	CDCD	
CC(C)[C@@H](CN)C(=O)N1CCOc2cc(N(C)C)ccc21	433147236	CDJBWTWHGOYIGL-CYBMUJFWSA-N	291.395	1.709	10	20	CDCD	
O[C@H]1CC[C@H](NCc2ccc(N3CCOCC3)cc2)CC1	252703473	KAXVQMUNSGATPG-JCNLHEQBSA-N	290.407	1.916	10	20	CDCD	
CC(C)O[C@@]1(C)C[C@H]1NC(=O)c1c(F)ccc(O)c1O	530277716	ZAYIHIBQQRUIRE-YGRLFVJLSA-N	283.299	1.923	10	20	CDCD	
Cc1ccc(C(=O)N2CCO[C@H]3CCC[C@@H]32)c(O)c1O	272765320	LZUQCGIKELVVCV-RYUDHWBXSA-N	277.320	1.800	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNCC(C)(C)N(C)C)c1O	278863290	MDXDIZQTKXYUFM-UHFFFAOYSA-N	297.355	1.739	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)NCc2cncn2C)c1	289735767	KGIUSKPGWBLSJM-SNVBAGLBSA-N	289.335	1.763	10	20	CDCD	
CN(C)C1CN(c2ccc(/C=C\C(=O)O)cc2[N+](=O)[O-])C1	382760213	QRSLDPXUSWQIMF-XQRVVYSFSA-N	291.307	1.443	10	20	CDCD	
Cc1cc(CNC(=O)N(C)Cc2ccccc2O)n(C)n1	287784984	KKRDFYUWZBQWKV-UHFFFAOYSA-N	288.351	1.776	10	20	CDCD	
CN(C)c1ccc(CN[C@H](C2CC2)[C@@H]2CNCCO2)cc1	817896934	ZMWBXGMGTLYLOY-DLBZAZTESA-N	289.423	1.609	10	20	CDCD	
COC[C@@H](C)OC[C@@H](O)CNCc1ccc2c(c1)CCO2	818997171	UANZQBZAUQBLKO-DOMZBBRYSA-N	295.379	1.124	10	20	CDCD	
CO[C@@H]1COCC[C@H]1CNCc1ccc2c(c1)CCO2	824709945	TUNJIXXLECZYLC-GOEBONIOSA-N	277.364	1.763	10	20	CDCD	
CN(C)c1ccc([C@@H](N)CNC(=O)[C@H]2CCCS2)cc1	832267329	QORRPGMGBLQXPA-UONOGXRCSA-N	293.436	1.764	10	20	CDCD	
C[C@@H]1C[C@H]1C(=O)NC[C@H](N)c1ccc(N(C)C)cc1	832293388	VUEHUULGVAHJRP-HONMWMINSA-N	261.369	1.525	10	20	CDCD	
CC[C@H](C)N(C)CCNC(=O)c1cc(O)cs1	732284381	RQYWWMRYFQVQTO-VIFPVBQESA-N	256.371	1.914	10	20	CDCD	
CN(CC(F)(F)F)C(=O)COC(=O)c1cc(O)cs1	732354709	RMGBFQOKMXRCOP-UHFFFAOYSA-N	297.254	1.631	10	20	CDCD	
CCC[C@](C)(N)C(=O)N1CCOc2cc(N(C)C)ccc21	904918365	IPPHNHXHOREUAM-INIZCTEOSA-N	291.395	1.996	10	20	CDCD	
c1cc(N2CCOCC2)ccc1CN1CCCNCC1	843047731	YFWBERFAFAEIEE-UHFFFAOYSA-N	275.396	1.319	10	20	CDCD	
c1cn2nnnc2c(NCc2ccc(N3CCCC3)cc2)n1	747821706	KSBVUWDGAJQRQT-UHFFFAOYSA-N	295.350	1.732	10	20	CDCD	
CCN1CCC[C@H]1CNC(=O)NCc1ccccc1O	745790134	UYNJCPAPGPFXAR-ZDUSSCGKSA-N	277.368	1.676	10	20	CDCD	
CCNC(=O)N(C)CCN(C)c1ccc(OC)cc1	844278902	DKIWRYVOMURGAN-UHFFFAOYSA-N	265.357	1.793	10	20	CDCD	
COc1ccc(O)c(CN[C@@H](CCN)C(F)F)c1	841073591	HEGSKXMHLLKOPZ-JTQLQIEISA-N	260.284	1.473	10	20	CDCD	
COCC1CCN(C(=O)NCCc2ccc(N)cc2)CC1	841954541	NJQQTTHBAVZKIA-UHFFFAOYSA-N	291.395	1.879	10	20	CDCD	
CCN(C)c1ccc(CN2CCO[C@H](C(=O)O)C2)cc1	846273597	ZJWIDVBBZVLFPI-AWEZNQCLSA-N	278.352	1.428	10	20	CDCD	
C[C@H](O)[C@@H](O)CN(Cc1ccccc1O)C[C@@H]1CCCO1	929973290	YBWUEGKAIHMRKU-NOLJZWGESA-N	295.379	1.115	10	20	CDCD	
C[C@H](CC(N)=O)N[C@H](C)c1cc(F)cc(F)c1O	756661276	QGMRSQSRROQTLO-RNFRBKRXSA-N	258.268	1.585	10	20	CDCD	
CO[C@@]1(CNC(=O)N[C@H](C)c2ccccc2O)CCOC1	868503459	WOBBHDOHGBVRGT-IAQYHMDHSA-N	294.351	1.558	10	20	CDCD	
Cn1cc(/C=C\C(=O)NCCc2ccc(O)c(O)c2)cn1	767777491	CABUMAXTFKHSEN-HYXAFXHYSA-N	287.319	1.203	10	20	CDCD	
C[C@H]1CO[C@H](C)CN1Cc1cc2c(cc1O)OC[C@H]2O	768441757	MHPBIVSSHMAISA-IMSIIYSGSA-N	279.336	1.427	10	20	CDCD	
CCOC(=O)[C@](C)(O)CN[C@H](C)c1ccc(N(C)C)cc1	775835139	RVKLPMRJWGCSQQ-MLGOLLRUSA-N	294.395	1.717	10	20	CDCD	
Cc1cccc(O)c1CN1CCN(c2cnn(C)c2)CC1	876734700	IUKZRVZOWLXKLG-UHFFFAOYSA-N	286.379	1.756	10	20	CDCD	
OCCn1cc(NCc2cc(F)ccc2O)cn1	779103038	WMQJOFPADWMDNJ-UHFFFAOYSA-N	251.261	1.332	10	20	CDCD	
COc1ccc(CNCCNC(=O)c2cc[nH]c2)cc1C	1127916092	UNFMZUSFXZVEFW-UHFFFAOYSA-N	287.363	1.851	10	20	CDCD	
CC[C@@](C)(CO)NCc1ccc(OC)c(OC)c1O	893324756	YIQTYYSLXPLBTP-AWEZNQCLSA-N	269.341	1.660	10	20	CDCD	
COc1ccc(CN[C@@H]2CCCN(C)C2=O)c(O)c1OC	893100757	WDTNGVZUYXXKMD-LLVKDONJSA-N	294.351	1.120	10	20	CDCD	
COc1ccc(CNC(=O)c2cccc(OC)n2)c(O)c1	794387976	QQUZGTUMTIUKKK-UHFFFAOYSA-N	288.303	1.734	10	20	CDCD	
COc1cc(O)c(CN[C@H](C)c2n[nH]c(C)n2)cc1OC	894771986	CSEUKNSVSYLBIG-MRVPVSSYSA-N	292.339	1.687	10	20	CDCD	
COc1cc(C)cc(CNC[C@H](O)C2CCOCC2)c1O	894269860	WPABSNKOHONDOA-AWEZNQCLSA-N	295.379	1.586	10	20	CDCD	
COc1cccc(CN2CCC[C@H]([C@H](C)N)C2)c1O	70171773	VMFKQIMCTABALT-RYUDHWBXSA-N	264.369	1.960	10	20	CDCD	
O=C(NCc1ccccc1O)c1ccc2nccn2c1	731808585	BEZYILZJICSKNB-UHFFFAOYSA-N	267.288	1.970	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@@H]1CCCCCN1	80996897	OQTGGGCPOHSUOT-ZDUSSCGKSA-N	262.353	1.883	10	20	CDCD	
CN(CC1(CS(C)(=O)=O)CC1)c1ccc(N)cc1	692875211	PFGFGZHSDFAOMK-UHFFFAOYSA-N	268.382	1.530	10	20	CDCD	
Nc1ccc(CNC(=O)[C@H]2C[C@]23CCCNC3)cc1	1342701439	YSUDDKPLMNJURM-HIFRSBDPSA-N	259.353	1.275	10	20	CDCD	
CC(C)CNCC(=O)N1CCOc2cc(N(C)C)ccc21	1346105142	TYGUPWWFXRJQOE-UHFFFAOYSA-N	291.395	1.724	10	20	CDCD	
COc1ccc(CNCc2ccn(C)n2)c(O)c1OC	1352012679	XCQAVWMAGSQSBM-UHFFFAOYSA-N	277.324	1.433	10	20	CDCD	
CC(C)(O)[C@H]1CCCN1C(=O)NCc1ccc(N)cc1	1353539164	IZJTZEAUMRGQDC-CYBMUJFWSA-N	277.368	1.714	10	20	CDCD	
Cn1cnnc1CSc1ncc(C(=O)O)s1	1600995884	LGWCDDPGVBEKMZ-UHFFFAOYSA-N	256.312	1.262	10	20	CDCD	
Nc1cc(C(=O)NCc2cc(O)ccc2O)ccn1	1580434410	XXIWEJUHQUWSFE-UHFFFAOYSA-N	259.265	1.005	10	20	CDCD	
C[C@@H](N[C@H]1CCCNC1=O)c1cc(C(=O)O)ccc1O	1593356609	HKLUDZNFDJOHCX-KCJUWKMLSA-N	278.308	1.020	10	20	CDCD	
C[C@H](N[C@@H]1CCN[C@H](C)C1)c1cc(C(=O)O)ccc1O	1594261378	NOWANORHBINAQP-JFGNBEQYSA-N	278.352	1.882	10	20	CDCD	
CCc1cccc(CN2C[C@H]3COC[C@@]3(C(=O)O)C2)c1O	1593642000	FVOXMDPDEGDYNS-BBRMVZONSA-N	291.347	1.488	10	20	CDCD	
C[C@H](NCC[C@@H](C)O)c1cc(C(=O)O)ccc1O	1593273625	FNRGETQZSYMGSD-BDAKNGLRSA-N	253.298	1.512	10	20	CDCD	
C[C@H](NCC[C@H](O)C(F)F)c1cc(C(=O)O)ccc1O	1593261107	KOMNAEVPVYDKQV-CPCISQLKSA-N	289.278	1.757	10	20	CDCD	
C[C@]1(N)CCCC[C@@H]1C(=O)NCc1ccccc1O	828015723	LDGANTIXLXVMIE-DOMZBBRYSA-N	262.353	1.916	10	20	CDCD	
CC[C@@H](Cn1cc(COc2ccc(N)cc2)nn1)OC	881318290	ZFVFTIHIWQQHDC-ZDUSSCGKSA-N	276.340	1.864	10	20	CDCD	
CCOc1ccccc1NC[C@@H](O)CN1CCCC1	37874984	BVGHAQPYBSMCCD-CYBMUJFWSA-N	264.369	1.954	10	20	CDCD	
CC[C@@H](N[C@@H](C)c1cc(OC)ccc1O)C(N)=O	182412388	MHMHTFQSGZDDRP-GZMMTYOYSA-N	252.314	1.315	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NCc2cn(C)nn2)c1	389833164	JYGMQFYLJYKAKB-SECBINFHSA-N	262.313	1.380	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)c2ccon2)c1	103529509	LTKDLOSRZILKMN-QMMMGPOBSA-N	262.265	1.880	10	20	CDCD	
COc1ccc(O)c(CN[C@@H](C)[C@@H](CO)SC)c1	224856834	LPSUYZHFQSZJCF-TVQRCGJNSA-N	271.382	1.603	10	20	CDCD	
C[C@H](NCCO)c1cc(Br)cc(F)c1O	134910853	FSPOTOMGJQAZGY-LURJTMIESA-N	278.121	1.937	10	20	CDCD	
CCNS(=O)(=O)N(CC)Cc1ccc(N(C)C)cc1	171951682	SLYJZFVNNUWBJJ-UHFFFAOYSA-N	285.413	1.429	10	20	CDCD	
CC(C)CNC(=O)CN1CCOc2cc(N(C)C)ccc21	175028544	PECNUOWSHDURAH-UHFFFAOYSA-N	291.395	1.724	10	20	CDCD	
CCN(CC)C(=O)CCCNC(=O)c1cccc(O)c1O	188473132	XUADITCSGXVUHS-UHFFFAOYSA-N	294.351	1.476	10	20	CDCD	
O=C1OC[C@@H]2CN(Cc3cccc(Cl)c3O)CCN12	378443587	MZZZJDZIFLUCAR-JTQLQIEISA-N	282.727	1.682	10	20	CDCD	
O=C(Cc1cncs1)NCCc1ccc(O)c(O)c1	188544649	VHXFXTHRFVMLIN-UHFFFAOYSA-N	278.333	1.456	10	20	CDCD	
COc1cccc(CN(C)[C@H](C)C[S@@](C)=O)c1O	131142011	LILNWZSEKXJRPI-MGNBDDOMSA-N	271.382	1.600	10	20	CDCD	
Cc1ccc(NC=C2C(=O)NC(=S)NC2=O)c(Cl)c1	48403173	GNNVPPWKPNSEPS-UHFFFAOYSA-N	295.751	1.475	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)[C@@H](C)O)cc1F	137007425	IIEMKTPSBMSZNL-SNVBAGLBSA-N	268.332	1.669	10	20	CDCD	
Nc1ccc(CC(=O)NCCCOC[C@@H]2CCCO2)cc1	40826245	IRCGEOJOIBTLOO-HNNXBMFYSA-N	292.379	1.513	10	20	CDCD	
Cc1nnc(CNC(=O)c2cccc(O)c2O)n1C1CC1	193154190	SWNNHBXTFNZPGM-UHFFFAOYSA-N	288.307	1.263	10	20	CDCD	
CCCOc1ccc(CN(C)C[C@@H](C)C(=O)NC)c(O)c1	93899431	HKWCZOQQQBGLGL-GFCCVEGCSA-N	294.395	1.995	10	20	CDCD	
COC(=O)C[C@H]1CN(Cc2ccc(N(C)C)cc2)CCO1	93458166	QQGCYVOTUSICNL-HNNXBMFYSA-N	292.379	1.517	10	20	CDCD	
COC[C@H](CO)N[C@@H](C)c1cc(OC)ccc1O	234823142	SBQGNBPUBUKLFP-UWVGGRQHSA-N	255.314	1.059	10	20	CDCD	
COCCOCCCNC(=O)NCc1ccccc1O	264177019	MUWGKNACFOJWIS-UHFFFAOYSA-N	282.340	1.245	10	20	CDCD	
CNC(=O)CCCN[C@@H](C)c1ccc(F)c(F)c1O	276919545	MHWZOARKYQGBFB-QMMMGPOBSA-N	272.295	1.847	10	20	CDCD	
COc1cc(O)c(CNCC[C@@H](C)OC)cc1OC	271895508	UAFPCPPVZYFXQX-SNVBAGLBSA-N	269.341	1.924	10	20	CDCD	
CCN1CC(=O)N[C@@H]1c1ccc(N(C)C)c(F)c1	276397749	GSEAKEAITAHYQQ-ZDUSSCGKSA-N	251.305	1.342	10	20	CDCD	
COC(=O)C[C@@H](C)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	274926566	MLPGFVQPYRVPQJ-NXEZZACHSA-N	295.335	1.344	10	20	CDCD	
C[C@H]1CCCN(CCNC(=O)c2c(F)ccc(O)c2O)C1	276627398	SAEFFSUCKZVIRJ-JTQLQIEISA-N	296.342	1.699	10	20	CDCD	
CC[C@@H](N[C@H](CCO)COC)c1ccc(F)cc1O	286089459	MQKZYRUPTPFZMC-DGCLKSJQSA-N	271.332	1.969	10	20	CDCD	
COCCS(=O)(=O)Nc1cc(Cl)c(O)cc1F	288187921	JMTVJZIQKHMZHY-UHFFFAOYSA-N	283.708	1.573	10	20	CDCD	
CC(=O)C(=O)COC(=O)c1ccc(Br)o1	808488824	QVCSVIIMAPJDAA-UHFFFAOYSA-N	275.054	1.357	10	20	CDCD	
CCc1nnc(CNC(=O)c2ccc(C)c(O)c2O)s1	292457716	LLGSSMTTZYLQOS-UHFFFAOYSA-N	293.348	1.750	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)NCCc1cn[nH]c1	812519967	IUHPCOVXRWRKON-UHFFFAOYSA-N	274.324	1.499	10	20	CDCD	
C[C@H]1CN(Cc2c(O)cccc2Cl)C[C@@H](C)N1CCO	824925660	CGHBTXGZMCJMLC-TXEJJXNPSA-N	298.814	1.933	10	20	CDCD	
C[C@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)c1cc(O)cs1	736710371	OUELCSHLJOURLV-JGVFFNPUSA-N	289.378	1.101	10	20	CDCD	
Nc1ccc(CC(=O)N[C@@H]2CCN(CC3CC3)C2)cc1	828993886	UDBXNYCDXAUOJZ-OAHLLOKOSA-N	273.380	1.412	10	20	CDCD	
CC(C)OCCC(=O)NC[C@@H](N)c1ccc(N(C)C)cc1	832299825	JWKQQUNZLSXHAM-OAHLLOKOSA-N	293.411	1.684	10	20	CDCD	
O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)C1CC1	837705377	LGNMNFCVUVPWCZ-UHFFFAOYSA-N	296.317	1.828	10	20	CDCD	
C[C@@H](N(C)C(=O)/C=C\c1ccc(O)c(O)c1)C(C)(C)O	836811857	OANGZQPLMKTYMN-BJPMOSCESA-N	279.336	1.729	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CCO[C@H](CF)C1	840482630	CGRWHBXFHNQFSM-JRBALWBOSA-N	281.283	1.308	10	20	CDCD	
CN(Cc1cc2c(cc1O)OCO2)CC(C)(C)CN	843056721	XRPGUQVDDLUPPN-UHFFFAOYSA-N	266.341	1.538	10	20	CDCD	
CCN1C[C@@H](C(=O)NCc2cc(Cl)ccc2O)CC1=O	846472351	IOOOJRRNSRRZOX-JTQLQIEISA-N	296.754	1.530	10	20	CDCD	
CSCCONC(=O)NCCc1ccc(N)cc1	841889957	JIABESDSKXMNCO-UHFFFAOYSA-N	269.370	1.405	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNCCCS(C)(=O)=O	840932138	NRMFFWPMCFQOGL-UHFFFAOYSA-N	284.425	1.585	10	20	CDCD	
C[C@@H]1C[C@@H](O)CN1c1ccc(/C=C/C(=O)O)cc1[N+](=O)[O-]	844213039	FRNASGQLVATWGV-DREQKGALSA-N	292.291	1.652	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CCCNCC2)c1	846677002	MARMSTJWCYWFMW-VXGBXAGGSA-N	292.379	1.968	10	20	CDCD	
Oc1c(CN2CC(N3CC[C@@H](O)C3)C2)ccc2ccccc12	846067248	BJEJWOJZBGFTIF-MRXNPFEDSA-N	298.386	1.796	10	20	CDCD	
C[C@@H](NC[C@H]1COCCO1)c1cc(F)cc(F)c1O	756433165	AFYSJTDYSCALEC-SCZZXKLOSA-N	273.279	1.736	10	20	CDCD	
COc1cccc([C@H](C)N[C@H](C)C(=O)N(C)OC)c1O	858588605	KHRXAUDGMDJSGW-VHSXEESVSA-N	282.340	1.460	10	20	CDCD	
CNC(=O)NCc1ccc(N2CCC(O)CC2)cc1	853015475	NVGHUJQVFQMVHP-UHFFFAOYSA-N	263.341	1.077	10	20	CDCD	
Cc1cnn(CC(=O)NCc2cc(Cl)ccc2O)c1	857547861	XWYDTYRPNDKIQU-UHFFFAOYSA-N	279.727	1.867	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](C)CNC	851682128	ULFZOMKLNPISSE-CYBMUJFWSA-N	292.427	1.892	10	20	CDCD	
CCN[C@H]1C[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1	1021116752	PIYXSANJSKSKGW-HAQNSBGRSA-N	289.339	1.719	10	20	CDCD	
CN(CCOCCN)Cc1c(O)ccc(Cl)c1F	863652675	UFXASBRSXVNEGJ-UHFFFAOYSA-N	276.739	1.592	10	20	CDCD	
CCOc1ccc(CN2CCC[C@H]2CO)c(O)c1	769072309	BILPSINYTWDGQL-LBPRGKRZSA-N	251.326	1.748	10	20	CDCD	
C[C@@H](NS(=O)(=O)CC[C@@H]1CCCO1)c1ccccc1O	867833852	CKOCBWDGKHJKMI-NEPJUHHUSA-N	299.392	1.942	10	20	CDCD	
COC(=O)C[C@]1(NCc2ccc(OC)c(C)c2)CCOC1	766469115	NQNZFFKYQJUQKQ-MRXNPFEDSA-N	293.363	1.815	10	20	CDCD	
C[C@@H]1C[C@H](NC[C@@]2(O)CCN(C)C2)c2c(O)ccc(F)c21	762787629	MXKLMPVKGIOCSM-XAGWURHQSA-N	294.370	1.736	10	20	CDCD	
CC[C@@]1(O)CCCN(C(=O)c2ccc(C)c(O)c2O)C1	870680885	NPBICSAYRCKANT-OAHLLOKOSA-N	279.336	1.783	10	20	CDCD	
OC[C@H](CCF)NCc1ccc(N2CCC(O)CC2)cc1	877614836	NJJWYBDXEVNIDN-AWEZNQCLSA-N	296.386	1.458	10	20	CDCD	
C[C@H](NC(=O)c1cc(O)cs1)c1nnc2n1CCC2	779165562	QURMEJRXLNBGEE-ZETCQYMHSA-N	278.337	1.482	10	20	CDCD	
O=C1NC[C@H]2CN(Cc3cc(Cl)cc(F)c3O)CCN12	775736523	HWTSREOSIUGHLR-JTQLQIEISA-N	299.733	1.394	10	20	CDCD	
COCC(COC)N[C@@H](C)c1c(O)cccc1F	886620694	QEOXOKNCRQGHHL-VIFPVBQESA-N	257.305	1.843	10	20	CDCD	
CC(C)n1ccc(C(=O)NCc2cccc(O)c2O)n1	1123977247	CUAWBTHKEFBAOL-UHFFFAOYSA-N	275.308	1.805	10	20	CDCD	
C[C@]1(CO)C[C@H](O)CN1Cc1cc(Cl)c(F)cc1O	895326471	YCMHYRHZKKQUQL-TVQRCGJNSA-N	289.734	1.502	10	20	CDCD	
C[C@@]1(C(=O)OCC(=O)c2ccc(O)c(O)c2)CCOC1	784694388	FQJIEFTVQAYGOZ-CQSZACIVSA-N	280.276	1.250	10	20	CDCD	
COC(=O)C1(C)CN(Cc2cc(F)cc(F)c2O)C1	895058267	SRAZFZYRXXDOOF-UHFFFAOYSA-N	271.263	1.665	10	20	CDCD	
CC1(C)CN(Cc2cc(Cl)ccc2O)CCN1CCO	783714559	RZBMOHNHQUVSHI-UHFFFAOYSA-N	298.814	1.934	10	20	CDCD	
COc1ccc(CNCCn2ccnc2C)c(O)c1OC	892757892	LFCUFXXGDUVOTC-UHFFFAOYSA-N	291.351	1.704	10	20	CDCD	
CCN(CC)c1ccc(CNC[C@@H]2COCO2)cc1	894868718	KKARKPFRJYSVLG-OAHLLOKOSA-N	264.369	1.995	10	20	CDCD	
Cn1cncc1CCC(=O)NCc1ccc(O)c(O)c1	793690675	XDRFURXOUDFHMQ-UHFFFAOYSA-N	275.308	1.080	10	20	CDCD	
Cc1ccc([C@@H](C)NCCC(=O)N(C)C)c(O)c1	37751747	FADWSUIZFSOGRS-LLVKDONJSA-N	250.342	1.830	10	20	CDCD	
COC/C=C\C(=O)N1CCOc2cc(N(C)C)ccc21	791372253	BOZAXMADTRKVJM-PLNGDYQASA-N	276.336	1.681	10	20	CDCD	
CCn1ncnc1CNCc1cc2c(cc1O)OCO2	793346872	RGDHGUGLDRYNFX-UHFFFAOYSA-N	276.296	1.022	10	20	CDCD	
COc1ccc(CNC(=O)Cc2cccnc2C)c(O)c1	1329210811	YFZHOFSWDKQHKG-UHFFFAOYSA-N	286.331	1.963	10	20	CDCD	
CN(C)c1ccc(Cn2cc(CNCC3CC3)nn2)cc1	1331885148	NIBBAZBQOPAJIJ-UHFFFAOYSA-N	285.395	1.892	10	20	CDCD	
O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1NC[C@@H]2C[C@@H]21	1261892444	KWRUPLWIBBBTLT-DETPVDSQSA-N	286.375	1.495	10	20	CDCD	
CC[C@@H](N[C@@H](C)c1cc(OC)ccc1O)C(=O)O	1603915930	WBDHNHHARBPLNK-GZMMTYOYSA-N	253.298	1.915	10	20	CDCD	
Cc1cc(CN2C[C@H]3[C@@H](C2)[C@@H]3C(=O)O)ccc1N(C)C	1610460273	WMBRBPSDZBZREF-NHAGDIPZSA-N	274.364	1.823	10	20	CDCD	
COc1cc(O)c(CN2CC[C@H](C(=O)O)[C@@H]2C)cc1OC	1610304068	MORPNDLTVBTTAJ-ONGXEEELSA-N	295.335	1.704	10	20	CDCD	
CC(C)(N)CNC(=O)c1cc2cc(O)c(O)cc2s1	1575358538	VNYHOQHSJYRXMH-UHFFFAOYSA-N	280.349	1.780	10	20	CDCD	
COc1ccc(CNCC2(C(=O)O)CC2)c(O)c1OC	1599571401	HBMYLJNLQBGNQY-UHFFFAOYSA-N	281.308	1.364	10	20	CDCD	
CN(C)c1ccc(CN2C[C@H]3C[C@@]2(C(=O)O)CO3)cc1	1777039415	YXZDYBXJAMBNMT-HIFRSBDPSA-N	276.336	1.181	10	20	CDCD	
CC(C)(CC(=O)O)NCc1ccc(N2CC[C@H](O)C2)cc1	1776291403	NTQPAZJSTDQTAW-AWEZNQCLSA-N	292.379	1.601	10	20	CDCD	
CN(C)c1ccc(CNC[C@H](O)CN(C)C2CC2)cc1	818942017	VUZZQYXZGSRSEJ-INIZCTEOSA-N	277.412	1.297	10	20	CDCD	
Nc1ccc(NC(=O)[C@@H]2CCn3ccnc3C2)cc1	857845219	ZXZOHYIKFLWJFZ-SNVBAGLBSA-N	256.309	1.666	10	20	CDCD	
Cc1ccc(CN(C)CC(C)(C)S(C)(=O)=O)c(O)c1	876779932	OHNANBMPGGPDBS-UHFFFAOYSA-N	285.409	1.956	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@]1(C)CCCCN1	136174377	ZTHACHJEDDWSAD-HNNXBMFYSA-N	262.353	1.883	10	20	CDCD	
O=C1NC[C@@H]2CN(Cc3cc(Cl)ccc3O)CCN12	156062583	CHOOSIFWYAMBEY-LLVKDONJSA-N	281.743	1.255	10	20	CDCD	
Nc1ccc(CC(=O)N2CCC3(CCOCC3)C2)cc1	261623403	AJJAYBSTAQVZEZ-UHFFFAOYSA-N	274.364	1.840	10	20	CDCD	
CC(C)[C@H](NCc1cc(F)cc(F)c1O)C(=O)O	708074780	FULBVDREEORBCP-JTQLQIEISA-N	259.252	1.869	10	20	CDCD	
C[C@@H](NC(=O)C[C@@H]1CCS(=O)(=O)C1)c1ccccc1O	1330895769	FEQUSCMOTARHGL-MNOVXSKESA-N	297.376	1.394	10	20	CDCD	
COc1cccc(CN2CCC[C@@H](C3OCCO3)C2)c1O	179372523	OAUUGABALMVYIU-CYBMUJFWSA-N	293.363	1.986	10	20	CDCD	
CCNC(=O)CN(CC)Cc1cc(F)ccc1O	179887280	PODSMMXPXWZEHE-UHFFFAOYSA-N	254.305	1.489	10	20	CDCD	
Cc1ccc(C(=O)N2CCN(C)C[C@@H]2C(C)C)c(O)c1O	179511414	MZPWXLPJJGMPJZ-CYBMUJFWSA-N	292.379	1.818	10	20	CDCD	
COc1c(C(=O)N(C)Cc2ccccc2O)c(C)nn1C	120226088	OPOWEKJZHRKBIE-UHFFFAOYSA-N	289.335	1.715	10	20	CDCD	
C[C@@H]1CSCCN1C(=O)c1cccc(O)c1O	126428497	IZRISSNFYDAIJX-MRVPVSSYSA-N	253.323	1.675	10	20	CDCD	
C[C@H](NC[C@]1(O)CCOC1)c1ccc(F)c(F)c1O	187806395	XVKNDOSEEISYEW-ISVAXAHUSA-N	273.279	1.472	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NCCc1nccs1	180998033	OYWYMGXLHCNTPW-DUXPYHPUSA-N	290.344	1.926	10	20	CDCD	
C[C@H](NC(=O)c1cccc(O)c1O)c1cccnc1	126253377	VROVBWSIUZUHPE-VIFPVBQESA-N	258.277	1.984	10	20	CDCD	
COC[C@H](CO)NCc1cc(Cl)cc(Cl)c1O	234786812	ZAJGUJCDLNUTOH-VIFPVBQESA-N	280.151	1.796	10	20	CDCD	
Nc1ccc(CC(=O)NCCCO[C@@H]2CCOC2)cc1	238111972	MRRIDBKFTVPQHA-CQSZACIVSA-N	278.352	1.123	10	20	CDCD	
CN(C)C1(CNC(=O)Cc2ccc(N)cc2)CCOCC1	237081053	IMNXQGWUJIAFBJ-UHFFFAOYSA-N	291.395	1.038	10	20	CDCD	
Cc1nn(C)c(C)c1OCC(=O)NCc1ccccc1O	268295876	ZBBAYYAEXMVXBA-UHFFFAOYSA-N	289.335	1.438	10	20	CDCD	
CNC(=O)[C@@H](C)CN(C)Cc1ccc(N(C)C)c(F)c1	271216719	NIRGQSPPMKODKD-NSHDSACASA-N	281.375	1.706	10	20	CDCD	
COc1cc(O)c(CN2CC([C@H]3CCOC3)C2)cc1OC	368441483	LKLNDBZDSVNTQH-NSHDSACASA-N	293.363	1.878	10	20	CDCD	
COC1(C(=O)NCc2ccc(N(C)C)cc2)CCC1	272953292	OVVLWOCBOVEXMZ-UHFFFAOYSA-N	262.353	1.938	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)[C@@H]1CCCN1C1CC1	279956337	SOTOUQCXUCXJKN-ZDUSSCGKSA-N	290.363	1.383	10	20	CDCD	
COC(=O)C[C@H]1COCCN1Cc1ccccc1O	377831695	APLPYXOERZSJGP-LBPRGKRZSA-N	265.309	1.156	10	20	CDCD	
COC(=O)C[C@H]1COCCN1Cc1cc(Cl)ccc1O	377836024	YHHAKFZOBZIHSH-LBPRGKRZSA-N	299.754	1.810	10	20	CDCD	
CCN1CCN(C(=O)c2ccc(C)c(O)c2O)[C@H](C)C1	288510541	QVIXLZXXZQYGEW-LLVKDONJSA-N	278.352	1.572	10	20	CDCD	
CCNC(=O)C(C)(C)CNC(=O)c1c(F)ccc(O)c1O	295460432	OFMOYYCACBXCDC-UHFFFAOYSA-N	298.314	1.129	10	20	CDCD	
CCCN(Cc1ccccc1O)C[C@H](O)COCCOC	295086297	RRPQKKQPVWATHX-HNNXBMFYSA-N	297.395	1.628	10	20	CDCD	
CC[C@@H](NCCCN1CCNCC1)c1ccccc1O	817937617	YKVRHLGOYHCMNK-OAHLLOKOSA-N	277.412	1.728	10	20	CDCD	
COc1cc(C)cc(CN2CC[C@@H](NC(C)=O)C2)c1O	817365701	NFGCYVNIMVCBSV-CYBMUJFWSA-N	278.352	1.420	10	20	CDCD	
CCOc1ccc(CN2C[C@@H](CO)OC(C)(C)C2)c(O)c1	817412935	RHBVATJYKWTWIJ-AWEZNQCLSA-N	295.379	1.763	10	20	CDCD	
CC[C@H](O)CNC(=O)NCCCSc1nccs1	813681203	NHXFHZNFSZSDDI-VIFPVBQESA-N	289.426	1.695	10	20	CDCD	
O=C(NCCOC[C@@H]1CCCO1)c1c(F)ccc(O)c1O	825863619	UATWEFKAMWIWIB-VIFPVBQESA-N	299.298	1.162	10	20	CDCD	
Cc1cc(O)c(CN[C@@H](C)CC(N)=O)cc1Cl	825352902	JYALDWADOOELOM-QMMMGPOBSA-N	256.733	1.708	10	20	CDCD	
COC[C@@H]1CCCN(C(=O)c2cc(O)cs2)C1	733365149	ZWMRBJRSEHDVQR-SECBINFHSA-N	255.339	1.952	10	20	CDCD	
CCn1[nH]c(C)nc1=NCc1cc(F)cc(F)c1O	905414575	OZONCXNWJOPJIQ-UHFFFAOYSA-N	268.267	1.624	10	20	CDCD	
COc1cc(O)c(CN2CCC[C@]2(C)C(=O)O)cc1OC	903698423	TZYDTEZGULRTIZ-OAHLLOKOSA-N	295.335	1.849	10	20	CDCD	
COC(=O)NCCC(=O)N[C@@H](C)c1cc(OC)ccc1O	730833956	UXMXIURDPIWLQN-VIFPVBQESA-N	296.323	1.324	10	20	CDCD	
C[C@H](NCCCON)c1ccc(N2CCOCC2)c(F)c1	902418326	DLZCIHHIUXSNBV-LBPRGKRZSA-N	297.374	1.593	10	20	CDCD	
O=C(NCc1ccccc1O)[C@]1(Cl)C[C@H]2CC[C@H]1O2	907055973	HPUAQPACAUXUSS-QKCSRTOESA-N	281.739	1.937	10	20	CDCD	
C[C@H](NC[C@]1(C)CCC(=O)N1)c1cc(F)ccc1O	834908901	MQOMFVQOMMBREQ-XPTSAGLGSA-N	266.316	1.851	10	20	CDCD	
COC[C@@H](C)NC(=S)N(C)Cc1ccccc1O	917581827	ZBYZPEOXVWGFPB-SNVBAGLBSA-N	268.382	1.733	10	20	CDCD	
Cc1c[nH]cc1C(=O)NC[C@H](N)c1ccc(N(C)C)cc1	843298506	NUKCNFTYJJZHHE-HNNXBMFYSA-N	286.379	1.819	10	20	CDCD	
CN(C)c1ccc(CN[C@H]2CC23CCNCC3)cc1	841081171	XLUMSGLXGNEMOH-HNNXBMFYSA-N	259.397	1.984	10	20	CDCD	
C[C@H](CN)CNCc1cc(Br)ccc1O	841048754	LOCGSOAPBBEDKI-MRVPVSSYSA-N	273.174	1.839	10	20	CDCD	
C[C@@H](C(=O)O)C(=O)NCc1ccc(N2CCCC2)cc1	842569803	LAOZQLJXFVCBPI-LLVKDONJSA-N	276.336	1.624	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)NC[C@H]1COCO1	919069198	CMMRKBTVVVHYSY-AWEZNQCLSA-N	293.367	1.233	10	20	CDCD	
COc1ccc(CNC(=O)CCCCC(=O)O)c(O)c1	848447255	MVAVMLLZDVVSAV-UHFFFAOYSA-N	281.308	1.662	10	20	CDCD	
CC(C)(N)CNC(=O)NCc1c(O)ccc2c1CCCC2	841950812	QPHMGCJTUMMCCH-UHFFFAOYSA-N	291.395	1.808	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2[C@@H](C)CNC[C@H]2C)c1O	843064313	CCGSVENZRGBPLT-AOOOYVTPSA-N	295.339	1.491	10	20	CDCD	
O=C(CN1CCCCC1=O)NCc1cc(Cl)ccc1O	846472928	NXWFVPIJPHGQBS-UHFFFAOYSA-N	296.754	1.674	10	20	CDCD	
C[C@H](NC[C@@H](O)COCC1CC1)c1ccc(F)cc1O	756510589	KLXNMUVYSOVYON-GXFFZTMASA-N	283.343	1.969	10	20	CDCD	
C[C@H](CO[C@@H]1CCOC1)NC(=O)c1cc(O)cs1	754046072	OLJPBQYPBDCGGS-PSASIEDQSA-N	271.338	1.378	10	20	CDCD	
C[C@H](N[C@H]1CCCN(C)C1=O)c1cc([N+](=O)[O-])ccc1O	756638793	RUNHNBRIRPJVMY-CABZTGNLSA-N	293.323	1.572	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccnc(O)c1	753640001	FTYOYEAMYQYAAQ-VIFPVBQESA-N	288.303	1.559	10	20	CDCD	
CC[C@@H](CNC(=O)N(C)Cc1ccccc1O)C(=O)O	1341329140	QALWOPGQNJVBHH-JTQLQIEISA-N	280.324	1.644	10	20	CDCD	
COC[C@H]1COCCN1Cc1ccc(N(C)C)cc1	933331192	LJTDSAUIPJUPBM-HNNXBMFYSA-N	264.369	1.600	10	20	CDCD	
CCOc1ccc(CN2CC[C@@H](C(N)=O)C2)c(O)c1	768137295	IXKYIWKZDZWNGG-LLVKDONJSA-N	264.325	1.098	10	20	CDCD	
Oc1ccc(Cl)cc1CNCC1(N2CCOCC2)CC1	766222115	DKTHMNHXLACUNR-UHFFFAOYSA-N	296.798	2.000	10	20	CDCD	
CCN1CCN([C@@H](C)CNCc2ccc(C)cc2O)CC1	876931592	QCKQPHNDYZECNN-HNNXBMFYSA-N	291.439	1.816	10	20	CDCD	
C[C@H](NC(=O)[C@@]1(F)CCNC1)c1ccccc1O	870988704	XLSFQFGZUPVCFZ-TVQRCGJNSA-N	252.289	1.271	10	20	CDCD	
COc1cc(O)c(CNCCSC)cc1OC	775798095	HPEUPJJNDPVBJB-UHFFFAOYSA-N	257.355	1.862	10	20	CDCD	
CCC[C@](C)(CO)NC(=O)NCc1ccc(N)cc1	1120591947	NKBSQDWAUJMIKW-CQSZACIVSA-N	265.357	1.619	10	20	CDCD	
CC[C@H](C)[C@](C)(O)CNC(=O)c1ccc(C)c(O)c1O	780956276	TVTYMPQQEABYGT-ZUZCIYMTSA-N	281.352	1.933	10	20	CDCD	
COc1cc(C)cc(CNCCc2ccnn2C)c1O	894469323	LIPRCVZWMVFQKT-UHFFFAOYSA-N	275.352	1.775	10	20	CDCD	
Cc1ccc(C(=O)N2CCCOC[C@H]2C)c(O)c1O	780987862	ZSJRNMJLZCTYIA-SNVBAGLBSA-N	265.309	1.657	10	20	CDCD	
COc1ccc(CNC[C@H](C)CCO)c(O)c1OC	893081392	CXGYUBQCAWLVOH-SNVBAGLBSA-N	269.341	1.518	10	20	CDCD	
COc1ccc(CNCc2cnn(C)c2C)c(O)c1OC	893268133	AMBKYTKWGPFZPC-UHFFFAOYSA-N	291.351	1.741	10	20	CDCD	
COc1ccc(CN2CC[C@@H]([C@@H](C)O)C2)c(O)c1OC	893472326	QHGOCLLDTNMHEM-GHMZBOCLSA-N	281.352	1.612	10	20	CDCD	
CCO[C@H]1CCN(C(=O)c2cccc(O)c2O)C1	701825766	NTUVHRBTWZDHDG-VIFPVBQESA-N	251.282	1.349	10	20	CDCD	
COc1ccc(CNc2nc(C)nc3c2cnn3C)c(O)c1	795283564	BUJDDQQWHKOUFO-UHFFFAOYSA-N	299.334	1.998	10	20	CDCD	
CC1(C(=O)COC(=O)c2cccc(O)c2O)CC1	795595776	UROYIMPBWYULPX-UHFFFAOYSA-N	250.250	1.624	10	20	CDCD	
CN1C[C@H](CN(C)c2ccc3c(c2)OCO3)OC1=O	1324488509	MIYNMWPJFSPXMQ-JTQLQIEISA-N	264.281	1.302	10	20	CDCD	
CC[C@H](C)NC(=O)CCNC(=O)NCc1ccc(N)cc1	1336975516	PJBNQHMEJAZHFT-NSHDSACASA-N	292.383	1.373	10	20	CDCD	
Nc1ccc(CN2CCC([C@@H](O)c3ncc[nH]3)CC2)cc1	1262488031	NQIWXHXBAHBENE-OAHLLOKOSA-N	286.379	1.938	10	20	CDCD	
CC(C)(C)S(=O)(=O)CC(=O)NCc1ccc(N)cc1	1356227473	JGBWYPFATQNTMD-UHFFFAOYSA-N	284.381	1.098	10	20	CDCD	
Cc1cc(N(C)Cc2ccccc2O)ncc1-c1nn[nH]n1	1605688851	YGTBRXVVUZWAGR-UHFFFAOYSA-N	296.334	1.912	10	20	CDCD	
CCOc1cccc(CN2CC[C@@H](NC(C)=O)C2)c1O	228356347	VDCHGXIYMQENDN-CYBMUJFWSA-N	278.352	1.501	10	20	CDCD	
CCO[C@H](CCN(C)C)CNCc1ccc(N)cc1	1578072823	HBRKHPXPYPDIIX-OAHLLOKOSA-N	265.401	1.715	10	20	CDCD	
O=C(O)[C@@H]1CC[C@H]1C(=O)Nc1c(Cl)ccc2nonc12	1574769381	SOQIFRCVTNIEIF-PHDIDXHHSA-N	295.682	1.926	10	20	CDCD	
C[C@@H](NC[C@@H]1CCCO1)c1cccc(-c2nn[nH]n2)c1O	1589965880	RHNOSOBPHTUEEI-ZJUUUORDSA-N	289.339	1.402	10	20	CDCD	
C[C@@H]1C[C@H](C(=O)O)CN(C(=O)c2cc(O)cs2)C1	1589272709	PRCJAJHPSFSSOV-SFYZADRCSA-N	269.322	1.637	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)c2cnn(C)c2C)c1	162663127	RFQQBHUHAYMZCC-VIFPVBQESA-N	289.335	1.934	10	20	CDCD	
NC[C@H]1CN(Cc2cc(Cl)ccc2O)CCO1	164688283	PFRHIBRQKJXLBL-NSHDSACASA-N	256.733	1.205	10	20	CDCD	
CN1CCCc2cc(CNC(=O)[C@H]3CSCN3)ccc21	166474612	SIJIHDAEPVDRBG-CYBMUJFWSA-N	291.420	1.348	10	20	CDCD	
CCc1cccc(CN[C@H](C)CS(=O)(=O)CC)c1O	848896290	XKYDVHPWPNPOIN-LLVKDONJSA-N	285.409	1.867	10	20	CDCD	
C[C@H](O)CCCn1cc(COc2ccc(N)cc2)nn1	881317276	JKFIUCQIKLUVEI-NSHDSACASA-N	276.340	1.600	10	20	CDCD	
COC1(CO)CCN(Cc2ccc(N)cc2)CC1	402916953	YLGVRNQLMVVLTR-UHFFFAOYSA-N	250.342	1.242	10	20	CDCD	
COC(=O)C(C)(C)NCc1cc(F)cc(F)c1O	708520232	RMQLIWAMOAGLGW-UHFFFAOYSA-N	259.252	1.712	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC[C@H]2CCN2C)c1	712537514	ZRHPNNVVZXMBRC-GHMZBOCLSA-N	250.342	1.756	10	20	CDCD	
COc1ccc(O)c(CN[C@@H](CO)C[C@H]2CCCO2)c1	895746117	BVZJCGYFPXSJPB-TZMCWYRMSA-N	281.352	1.420	10	20	CDCD	
Nc1ccc(CNS(=O)(=O)c2ccc(Cl)nc2)cc1	1580447239	WIVXEUBHNLDFBU-UHFFFAOYSA-N	297.767	1.796	10	20	CDCD	
CCO[C@H]1C[C@@H]1C(=O)NCc1cc(OC)ccc1O	172042433	QMJLFQIPRCHEHI-AAEUAGOBSA-N	265.309	1.442	10	20	CDCD	
COc1cc(O)c(CN2CCCC[C@H]2C(N)=O)cc1OC	179581573	HCRDVLCNOVTZKA-NSHDSACASA-N	294.351	1.249	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)NC[C@H]1CCOC1	115667246	IDMYWGDMALGRBY-CYBMUJFWSA-N	291.395	1.897	10	20	CDCD	
Cc1cc(C(=O)N(C)[C@H]2CCNC2)c(C)n1-c1ccccn1	179099779	BHXKSIFUGUOGRU-AWEZNQCLSA-N	298.390	1.923	10	20	CDCD	
O=C(O)[C@H]1CCCN1C(=O)/C=C\c1ccc(O)c(O)c1	210698881	QXEBSJWHWIIVGU-AYYIZTPMSA-N	277.276	1.187	10	20	CDCD	
CN1CC[C@@H](C(=O)N(C)Cc2ccccc2O)CC1=O	77258372	STNLAFDFLRCTST-LLVKDONJSA-N	276.336	1.219	10	20	CDCD	
COc1cccc(CN2CCNC(=O)[C@@H]2CC(C)C)c1O	188920403	ZQPWRYZSYWXNMR-ZDUSSCGKSA-N	292.379	1.747	10	20	CDCD	
CC[C@]1(C(=O)NCCc2ccc(N)cc2)CCCN1	134367996	DWBALXSKIHKORZ-OAHLLOKOSA-N	261.369	1.460	10	20	CDCD	
CON(C)C(=O)NCCCSc1nccs1	190131880	JWQVHALVRYYWLL-UHFFFAOYSA-N	261.372	1.828	10	20	CDCD	
COc1cccc(CNC(=O)c2snnc2C)c1O	190506407	GHANZNCQMJBLJN-UHFFFAOYSA-N	279.321	1.491	10	20	CDCD	
CCN(CC)CC(=O)N1CCOc2cc(N(C)C)ccc21	81485409	UWCNJYARJZJQOQ-UHFFFAOYSA-N	291.395	1.820	10	20	CDCD	
COC[C@@H](CCO)N[C@H](C)c1ccc(F)cc1O	230663263	JOIFDDOVWQDNAA-MWLCHTKSSA-N	257.305	1.579	10	20	CDCD	
Cn1nccc1C1CCN(C(=O)Cc2ccc(N)cc2)CC1	237677281	LOUUNXZROAVIKM-UHFFFAOYSA-N	298.390	1.951	10	20	CDCD	
CCOc1ccc(O)c(CN2CCC(NC(C)=O)CC2)c1	92670234	ZMMNHAWMRGEYQZ-UHFFFAOYSA-N	292.379	1.891	10	20	CDCD	
Cc1ccc(O)c([C@@H](C)NCC(=O)N2CCOCC2)c1	181232964	ZQTZUOIAPROXSN-GFCCVEGCSA-N	278.352	1.210	10	20	CDCD	
CCOc1ccc(O)c(CN2C[C@H](CC)[C@@H](O)C2)c1	271377525	RBOIQEVTBPTTIP-NHYWBVRUSA-N	265.353	1.994	10	20	CDCD	
CCOc1ccc(O)c(CN2CC[S@](=O)C[C@@H](C)C2)c1	277586311	UKVZSCYMMOLYIV-YUNKPMOVSA-N	297.420	1.991	10	20	CDCD	
C[C@@H](O)CN1CCN(Cc2cc(F)ccc2O)[C@H](C)C1	284280204	HKNBGAHIQMJJRL-VXGBXAGGSA-N	282.359	1.418	10	20	CDCD	
CCN(CC(=O)NCc1ccc(N(C)C)cc1)[C@@H](C)CO	298546592	YDSXPSMAUPDYEI-ZDUSSCGKSA-N	293.411	1.072	10	20	CDCD	
COC(=O)c1cnc(S[C@H](C)c2nnnn2C)s1	295426395	YRYSNIUDMPWKDA-RXMQYKEDSA-N	285.354	1.307	10	20	CDCD	
C[C@H]1CN(Cc2cc(Cl)c(F)cc2O)C[C@H](CO)O1	816587924	AKYVTESQLDIVRO-WCBMZHEXSA-N	289.734	1.766	10	20	CDCD	
C[C@@H](NCC1CNC1)c1ccc(N2CCOCC2)c(F)c1	817965133	MICLMRXKAALHLD-GFCCVEGCSA-N	293.386	1.532	10	20	CDCD	
CN(Cc1cc2c(cc1O)OC[C@H]2O)C[C@@H]1CCCN1C	817373840	OVPGOQHSOUUGNW-SWLSCSKDSA-N	292.379	1.344	10	20	CDCD	
COc1ccc(O)c([C@@H](C)N[C@H]2CCCNC2)c1	817941778	RMXOIAOOZCIGCP-MNOVXSKESA-N	250.342	1.803	10	20	CDCD	
Cc1cc(CN(C)[C@@H](C)CS(C)(=O)=O)ccc1N(C)C	815048285	UJZXILCBJBVKKY-ZDUSSCGKSA-N	298.452	1.926	10	20	CDCD	
Cc1ccc([C@H](C)NC[C@@H]2CNCCO2)c(O)c1	817983791	QLJZZUACPGRDIP-RYUDHWBXSA-N	250.342	1.340	10	20	CDCD	
CC[C@H](O)CNC(=O)NCc1ccc(N(C)C)cc1C	813647703	XOBXRCOFOYWTSM-AWEZNQCLSA-N	279.384	1.631	10	20	CDCD	
Cc1ccc([C@@H](C)NCCN2CCNCC2)c(O)c1C	817945186	WRANWFVYAQXSED-CQSZACIVSA-N	277.412	1.565	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN(C)Cc2cnc[nH]2)c1O	826770702	ZQVQQZXAEYTMID-UHFFFAOYSA-N	292.295	1.664	10	20	CDCD	
CCCNC(=O)CCNC(=O)/C=C\c1ccc(O)c(O)c1	588404001	UUQPVJWJDNDYKY-XQRVVYSFSA-N	292.335	1.144	10	20	CDCD	
CN(C)c1ccc([C@H](CN[C@H]2CCC[C@H]2N)N(C)C)cc1	902519248	YLGCVVCCQXLAQQ-IKGGRYGDSA-N	290.455	1.825	10	20	CDCD	
CCN1C(=O)/C(=C/c2c(C)nnn2CC)SC1=S	834398526	MBJLLMHGBGQWFI-TWGQIWQCSA-N	282.394	1.828	10	20	CDCD	
COc1ccc(CNC(=O)C[C@H]2CCCN2)c(O)c1	832178028	LAUSWFYUYANZPV-LLVKDONJSA-N	264.325	1.159	10	20	CDCD	
CCOc1ccc(CNC[C@@](C)(O)CSC)c(O)c1	738441054	PWRPNZZJSSVEDK-CQSZACIVSA-N	285.409	1.995	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NCCC2(CO)CC2)cc1	836240074	NDQQLVDPYVDPNK-UHFFFAOYSA-N	291.395	1.714	10	20	CDCD	
CCC[C@@H](O)[C@H](CO)NCc1ccc2c(c1)CCO2	842226940	QTEBDWVJZMMORQ-UONOGXRCSA-N	265.353	1.233	10	20	CDCD	
C[C@]1(NC(=O)NCCc2ccc(N)cc2)CCCOC1	841960993	YWXBNQUCHFTVGK-HNNXBMFYSA-N	277.368	1.680	10	20	CDCD	
CN(Cc1cc(Cl)cc(F)c1O)[C@H]1CCNC1	843049751	VKYRUTZDFYOBLT-JTQLQIEISA-N	258.724	1.978	10	20	CDCD	
CNC(=N)NCc1cccc(Br)c1O	849105259	HIHZRZVSIPKHRX-UHFFFAOYSA-N	258.119	1.398	10	20	CDCD	
COC(=O)[C@H](C)CN(C(=O)Cc1ccc(N)cc1)C1CC1	843488852	SNZZZIMRWYLMBX-LLVKDONJSA-N	290.363	1.611	10	20	CDCD	
COc1cccc([C@H](C)NC[C@@H](O)COCC2CC2)c1O	846142384	SHGXLWSKEQJZDX-WCQYABFASA-N	295.379	1.839	10	20	CDCD	
COc1cccc([C@@H](C)N[C@@H](C)c2ncn(C)n2)c1O	846166211	UIVJFVLBOBLSPN-ZJUUUORDSA-N	276.340	1.941	10	20	CDCD	
CCOc1ccc(O)c(CN[C@@H](CO)[C@@H]2CCCOC2)c1	840963078	PZNIGEUGKTZXJK-DOMZBBRYSA-N	295.379	1.668	10	20	CDCD	
CO[C@@H]1CCN(C(=O)NCCc2ccc(N)cc2)C1	841956690	AYLXMIUFRCTKII-CYBMUJFWSA-N	263.341	1.242	10	20	CDCD	
CN1CC[C@H](NCc2cc(F)c(N(C)C)cc2F)C1	858127587	JLIMWTPYADIKBT-NSHDSACASA-N	269.339	1.825	10	20	CDCD	
O=C(N[C@@H](CO)CN1CCCCC1)c1cc(O)cs1	854412780	MCQGUNXOKLGCQN-SNVBAGLBSA-N	284.381	1.030	10	20	CDCD	
CCOC1(C(=O)NCCc2ccc(N)cc2)CCOCC1	852797695	ZKVYCDABOGACSE-UHFFFAOYSA-N	292.379	1.513	10	20	CDCD	
C[C@@H]1NCCC[C@H]1NC[C@H](N)c1ccc(N(C)C)cc1	925690378	JIXJTURINNOYEM-VBNZEHGJSA-N	276.428	1.483	10	20	CDCD	
CN(C)c1cc(F)c(CN[C@@H]2CC[C@H]2O)cc1F	858182698	DGHXYUWPXAPGRS-DGCLKSJQSA-N	256.296	1.644	10	20	CDCD	
COc1ccc(O)c(CNC(=O)C[C@@](C)(O)C2CC2)c1	756001740	FAXDNTXJLUFOHY-OAHLLOKOSA-N	279.336	1.568	10	20	CDCD	
COCC1(O)CN(Cc2cc(F)c(N(C)C)cc2F)C1	862389544	LPCHHPZMJFJKHO-UHFFFAOYSA-N	286.322	1.224	10	20	CDCD	
OCCCN(Cc1ccc(N2CCOCC2)cc1)C1CC1	769404202	KJPHRVZSILHJGE-UHFFFAOYSA-N	290.407	1.870	10	20	CDCD	
COc1cccc(O)c1CN1CCC(C)(O)CC1	769446895	OWSIVELUHMZOSF-UHFFFAOYSA-N	251.326	1.748	10	20	CDCD	
C[C@H]1CN(Cc2ccc(N3CCOCC3)c(F)c2)CCO1	768232181	ZCXMLTBCFDENSC-ZDUSSCGKSA-N	294.370	1.883	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)[C@]2(N)CC2(F)F)cc1	867959156	QIUDELHKIYDSKT-CQSZACIVSA-N	297.349	1.886	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)c1c[nH]c2ncccc12	762267357	GPQFLXXMHLMLNY-UHFFFAOYSA-N	297.314	1.947	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1cnc(CN)nc1	876767105	BBPNGHXMDLSYEN-UHFFFAOYSA-N	299.378	1.240	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)c1nccn2nnnc12	770473641	XHLRQMRXIMJPMG-UHFFFAOYSA-N	297.366	1.612	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CCn3ncnc3C2)c1O	770686764	UCLBRIUAHHLFBW-UHFFFAOYSA-N	290.298	1.341	10	20	CDCD	
O=C(NCCCOC[C@@H]1CCOC1)c1cccc(O)c1O	776349398	CSMMSRZIILDXKR-NSHDSACASA-N	295.335	1.271	10	20	CDCD	
Cc1noc(COC(=O)/C=C\c2ccc(O)c(O)c2)n1	772774710	KCOIAJFMHYJSFN-HYXAFXHYSA-N	276.248	1.546	10	20	CDCD	
COCC[C@]1(NCc2ccccc2O)CCOC1	775032771	KDGVFVLAXUCOLN-AWEZNQCLSA-N	251.326	1.677	10	20	CDCD	
CCN(C)c1ccc(CN2CCN(C[C@H](C)O)CC2)cc1	773748732	RGBTZEOEDCPHDV-HNNXBMFYSA-N	291.439	1.641	10	20	CDCD	
COc1cccc(O)c1CN1CCC[C@@H](CO)C1	771928177	QUAMRBMHPFPTPE-LLVKDONJSA-N	251.326	1.605	10	20	CDCD	
C[C@H](NCc1cc(F)cc(F)c1O)c1ncnn1C	883101705	RKVCHXZUVHLXHO-ZETCQYMHSA-N	268.267	1.650	10	20	CDCD	
Cc1cnc2c(c1)N(C(=O)/C=C\c1cn(C)cn1)CC2	888146442	BWRLPOKBRWWGBM-ARJAWSKDSA-N	268.320	1.726	10	20	CDCD	
C[C@@H](NC(=O)[C@@H](C)S(C)(=O)=O)c1ccc(N(C)C)cc1	773018090	HENWHKLSXQSKEI-GHMZBOCLSA-N	298.408	1.363	10	20	CDCD	
C[C@H](N[C@@H](CO)C1CCOCC1)c1c(O)cccc1F	886588434	RGVIDFMYDKJHEQ-GWCFXTLKSA-N	283.343	1.969	10	20	CDCD	
COC[C@H](C)N1CCN(c2ccc(OC)cc2)CC1	75594750	VWORAGPKVPBEOC-ZDUSSCGKSA-N	264.369	1.852	10	20	CDCD	
COC[C@@H]1CN(Cc2c(O)cccc2OC)C[C@H](C)O1	784668625	SBQMTUYXAZESGX-RYUDHWBXSA-N	281.352	1.637	10	20	CDCD	
C[C@@H]1C[C@@H](NCc2nnn(C)n2)c2c(O)ccc(F)c21	787031566	OBDUHYWZTJIEHI-VXNVDRBHSA-N	277.303	1.393	10	20	CDCD	
Cc1cncc(/C=C/C(=O)N2CCCc3c(O)ncnc32)c1	893212502	GKTXWAVSQUDUPA-SNAWJCMRSA-N	296.330	1.878	10	20	CDCD	
NC(=O)c1cc(CNCc2c(O)ccc(Cl)c2F)on1	792174660	YAIYNDFFPHVJTL-UHFFFAOYSA-N	299.689	1.561	10	20	CDCD	
CCNC(=O)CN(C)Cc1c(O)ccc(Cl)c1F	792167699	ZYTHGEFKHCNVAB-UHFFFAOYSA-N	274.723	1.753	10	20	CDCD	
C[C@H]1CN(C(=O)c2cccc(O)c2O)C[C@@H](C)[S@]1=O	791181223	HUJWYBVTZQCXBR-MCCHPSBSSA-N	283.349	1.079	10	20	CDCD	
CNC1CC(C(=O)NCc2ccc(N(C)C)cc2)C1	693553162	HDAMILOFEHKRGJ-UHFFFAOYSA-N	261.369	1.367	10	20	CDCD	
Nc1ccc(CNC(=O)NC[C@@H]2CCCS2)cc1	1337014903	FLXMONIBLOILHM-LBPRGKRZSA-N	265.382	1.964	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)NC[C@H]2CCOC2)c1	1338564202	ZGLLVXOASVQAPY-WDEREUQCSA-N	294.351	1.798	10	20	CDCD	
CO[C@H](C(=O)NCc1cccc(O)c1O)C1CCC1	1263896336	WJXUMBURBLRLPX-ZDUSSCGKSA-N	265.309	1.529	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CCNC(=O)[C@@H]2C)c1O	106358992	LGYVYSZBPDORRZ-QMMMGPOBSA-N	280.299	1.054	10	20	CDCD	
CN(C[C@@H]1CCC[C@H]1O)C(=O)NCc1ccc(N)cc1	1353539911	QKDGWBCVCMOYQY-GXTWGEPZSA-N	277.368	1.571	10	20	CDCD	
O=C(NCc1cccc(O)c1O)[C@H]1CC[C@H]2CCCCN21	1521852531	WXYGCXZQSRJSOG-CHWSQXEVSA-N	290.363	1.731	10	20	CDCD	
O=C(O)c1ccccc1C(=O)NCc1cccc(O)c1O	1602464573	SPAFTEZJIQIMGE-UHFFFAOYSA-N	287.271	1.726	10	20	CDCD	
O=C(CSc1ncc(C(=O)O)s1)Nc1ccon1	1608355807	XCQDJZLFSHDPGO-UHFFFAOYSA-N	285.306	1.560	10	20	CDCD	
Cc1cc(CN2C[C@H](O)C[C@@H]2C(=O)O)ccc1N(C)C	1600193053	VSFCGPYSUYVQCM-TZMCWYRMSA-N	278.352	1.081	10	20	CDCD	
C[C@H]1[C@H](C(=O)O)CCN1C(=O)NCCc1ccc(N)cc1	1594148688	DILDGSBENWYCBS-GXFFZTMASA-N	291.351	1.316	10	20	CDCD	
COc1ccc(O)c([C@@H](C)N[C@@H]2CCOC2=O)c1	19876492	WROHYFKAAHXSCZ-LDYMZIIASA-N	251.282	1.367	10	20	CDCD	
Cc1ccc(O)c([C@H](C)NCCC(=O)N(C)C)c1	37751860	SLQXYFPUUZSARD-NSHDSACASA-N	250.342	1.830	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC[C@H]2CCS(=O)(=O)C2)c1	38082795	VKRHSWSHUKKKNW-WDEREUQCSA-N	299.392	1.486	10	20	CDCD	
CC[C@H](N[C@@H]1CCOC[C@H]1O)c1ccccc1O	706722343	IVTVOBCKNLZANU-OUCADQQQSA-N	251.326	1.583	10	20	CDCD	
O=C(O)C[C@H]1CN(Cc2cc(F)cc(F)c2O)CCO1	708091855	YGDMNWADFZLCAP-JTQLQIEISA-N	287.262	1.346	10	20	CDCD	
COCC(COC)N[C@@H](C)c1ccc(F)cc1O	388489078	FODLQLDVABOQLM-VIFPVBQESA-N	257.305	1.843	10	20	CDCD	
C[C@@H](NC(=O)CNC[C@@H]1CCCO1)c1ccccc1O	870988482	QPOUNJJEKHGQIH-NEPJUHHUSA-N	278.352	1.338	10	20	CDCD	
CCNC(=O)CCC(=O)N(C)Cc1ccc(N(C)C)cc1	104022031	BYNQDRBQINSGDQ-UHFFFAOYSA-N	291.395	1.627	10	20	CDCD	
CCN(CC)c1ccc(CN2CCN(CCO)CC2)cc1	112119206	KSOISQQOSGLCOL-UHFFFAOYSA-N	291.439	1.643	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)c(O)c1O	179544539	IGEILQBTDQDMSU-IEBDPFPHSA-N	263.293	1.456	10	20	CDCD	
C[C@@H](C[S@](C)=O)NC(=O)N(C)Cc1ccccc1O	182619882	PIQMWPULVVEAQT-OVWNDWIMSA-N	284.381	1.301	10	20	CDCD	
CS[C@H](C)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	186393244	JOLGAXJFAWJZFT-RKDXNWHRSA-N	269.366	1.897	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H](CO)c1ccccc1	181298718	WGSVDKVRTFJWTE-KGXGESDWSA-N	299.326	1.961	10	20	CDCD	
C[C@@H]1CCCC[C@@H]1NC=C1C(=O)N(C)C(=O)N(C)C1=O	48402837	WTTOQTLEYNDFBL-KOLCDFICSA-N	279.340	1.089	10	20	CDCD	
COc1ccc(O)c(CN2CC[C@H](C(=O)O)[C@@H]2C)c1	92944190	CHSPPYSKYZDWNT-CABZTGNLSA-N	265.309	1.696	10	20	CDCD	
CCc1nc(CNCc2ccc(OC)c(C)c2)n[nH]1	296198624	ZBFGDNAMOVODEG-UHFFFAOYSA-N	260.341	1.974	10	20	CDCD	
COc1cccc(CN2CC([C@H]3CCOC3)C2)c1O	365565140	XTNKSXNCTMTESY-LBPRGKRZSA-N	263.337	1.869	10	20	CDCD	
CCOC1CC(O)(CNCc2cc(OC)ccc2O)C1	278782413	VSEMXYWQLHBWRM-UHFFFAOYSA-N	281.352	1.420	10	20	CDCD	
C[C@@H](CN(C)C)N[C@H](C)c1cc([N+](=O)[O-])ccc1O	286868369	BNUZJRDSLSLKIN-VHSXEESVSA-N	267.329	1.901	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CN(C)C2CCC2)cc1	299213756	HTMUTICKWWNGBF-UHFFFAOYSA-N	275.396	1.853	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)NC[C@H]1CCOC1	298754872	SGHBZOVSCGVHDT-LLVKDONJSA-N	264.325	1.570	10	20	CDCD	
COCc1ncc(C(=O)NCc2ccccc2O)s1	802777509	LRGGLVFJHOLMIG-UHFFFAOYSA-N	278.333	1.925	10	20	CDCD	
COC(=O)c1cnc(SCc2c[nH]nn2)s1	294911377	BLGWZYBAYWHLRH-UHFFFAOYSA-N	256.312	1.340	10	20	CDCD	
CN(C)c1ccc(CN(C2CC2)S(=O)(=O)N(C)C)cc1	298886713	SAGIMZGRSVVPMN-UHFFFAOYSA-N	297.424	1.523	10	20	CDCD	
Cc1nnc(CC(=O)NCCCSc2nccs2)o1	813450910	CTNODQYOWDDWNR-UHFFFAOYSA-N	298.393	1.676	10	20	CDCD	
Cc1ccc2c(c1)/C(=C/c1cn(CC(=O)O)nn1)C(=O)N2C	811700624	NAZVCTNJKLNGNS-SDQBBNPISA-N	298.302	1.188	10	20	CDCD	
CC(C)C[C@@H](NC(=O)c1cc(O)cs1)C(=O)O	817887515	MBVXIMZIBDPMNB-MRVPVSSYSA-N	257.311	1.683	10	20	CDCD	
COc1ccc(N2CC[C@@H](CN[C@@H](C)CCO)C2)cc1	818342235	NNVDYIHQZSXGLQ-KBPBESRZSA-N	278.396	1.882	10	20	CDCD	
COc1ccc(O)c([C@@H](C)N[C@H](CN)C2CC2)c1	817960399	MUSNBVPGYOBWCC-NOZJJQNGSA-N	250.342	1.789	10	20	CDCD	
COC[C@H](O)CN(CC1CC1)c1ccc(OC)cc1	831587521	CRGCMPHYTWRUJH-CQSZACIVSA-N	265.353	1.919	10	20	CDCD	
CCOc1ccc(O)c(CN(CC(=O)O)C2CC2)c1	833662930	NGUJTVGLHVSXQA-UHFFFAOYSA-N	265.309	1.840	10	20	CDCD	
CC(C)(C)[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)O	833425370	YEHYOPVQXFRNOP-SCXUMTSISA-N	293.319	1.727	10	20	CDCD	
CC(C)COCCC(=O)NCc1ccc(N)cc1	837302830	IVPHDZGJYJVVKF-UHFFFAOYSA-N	250.342	1.948	10	20	CDCD	
COc1ccc(O)c(CNC(=O)NCC2(N(C)C)CC2)c1	918746619	ZGDYSRLVCXPTJC-UHFFFAOYSA-N	293.367	1.294	10	20	CDCD	
CCNC(=O)[C@H](C)NCc1ccc(N(C)C)cc1C	840936982	PNELAJCVQFJGON-LBPRGKRZSA-N	263.385	1.675	10	20	CDCD	
Cc1ccc(C(=O)N[C@H](C2CC2)C(C)(C)CO)c(O)c1O	848247661	QFHSGCOLDWPNIQ-CQSZACIVSA-N	293.363	1.933	10	20	CDCD	
COc1ccc(O)c(CNC(=O)N[C@H]2COC[C@H]2C)c1	918745421	KGKXVGDQFVVLLK-SKDRFNHKSA-N	280.324	1.235	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)NCc2nccn2C)c1	756539699	RNUFJDWMCOXVIE-JTQLQIEISA-N	289.335	1.763	10	20	CDCD	
CC(C)NCC(=O)NCc1ccc(N2CCCC2)cc1	852785889	QZJXAZMOYRROTE-UHFFFAOYSA-N	275.396	1.901	10	20	CDCD	
Cc1ccc(C(=O)OC[C@@H]2CCO[C@H]2C)c(O)c1O	869375572	ZNQGSBDQWCGECQ-UWVGGRQHSA-N	266.293	1.988	10	20	CDCD	
CC(=O)N1CCCC[C@H]1C(=O)NCc1cc(C)ccc1O	862758897	PSONJKVREFIVHI-AWEZNQCLSA-N	290.363	1.718	10	20	CDCD	
CN(C)[C@@H]1CCCN(Cc2cc3c(cc2O)OC[C@H]3O)C1	768447063	QRCNXUNZDWQDFV-IUODEOHRSA-N	292.379	1.344	10	20	CDCD	
CN1CCc2cc([C@H]3NC(=O)[C@@H]4CSCCN34)ccc21	765522041	ZSBVKPQYDWGCHQ-KBPBESRZSA-N	289.404	1.225	10	20	CDCD	
COc1cc(O)c(CNCc2conc2C)cc1OC	877563264	JWYKIRBOMFLDAY-UHFFFAOYSA-N	278.308	1.996	10	20	CDCD	
OC[C@H]1CSCCN1Cc1cc(Cl)ccc1O	877780346	NKWJALASYRFCGY-NSHDSACASA-N	273.785	1.955	10	20	CDCD	
CC[C@H](NCCCS(=O)(=O)NC)c1ccccc1O	775415657	UHZCLICPEIQKFT-LBPRGKRZSA-N	286.397	1.372	10	20	CDCD	
CC[C@@H](CO)C(=O)NCCCSc1nccs1	779778450	XLJREMXCLDNSHG-VIFPVBQESA-N	274.411	1.760	10	20	CDCD	
C[C@@H](NC(=O)c1cc(O)cs1)c1ncn(C)n1	782037871	VQWXNXUMXCOJTL-ZCFIWIBFSA-N	252.299	1.073	10	20	CDCD	
COC(=O)[C@@H]1CCN(C(=O)c2cc(O)cs2)[C@H]1C	788008846	QVICTUHKTYQJET-IONNQARKSA-N	269.322	1.477	10	20	CDCD	
CO[C@]1(C(=O)N(C)Cc2ccccc2O)CCSC1	895756261	ULXICYCARIKYKJ-CQSZACIVSA-N	281.377	1.873	10	20	CDCD	
C[C@@H]1CN(Cc2cc(Cl)cc(F)c2O)C[C@H]1O	897680897	MVSFQLGJWYDDFC-RDDDGLTNSA-N	259.708	1.997	10	20	CDCD	
O=C(COC(=O)c1ccc(F)cn1)c1ccc(O)c(O)c1	784670496	FBQVZGUMOQSNDW-UHFFFAOYSA-N	291.234	1.672	10	20	CDCD	
CC[C@@](C)(O)CNCc1ccc(OC)c(OC)c1O	892515837	ZOHCVBJYFOJRPO-CQSZACIVSA-N	269.341	1.660	10	20	CDCD	
CN1CCN(c2ccc(CN3CCOCC3)cc2)CC1	82713163	AFSIRFYXLGWDRM-UHFFFAOYSA-N	275.396	1.271	10	20	CDCD	
CN(C)c1ccc(NC(=O)c2c(F)ccc(O)c2O)nc1	790069750	RFRKPVUNCMFWPA-UHFFFAOYSA-N	291.282	1.950	10	20	CDCD	
CC(C)OC(=O)CCCNC(=O)c1cccc(O)c1O	790933920	AJSRRXXDVCQGFY-UHFFFAOYSA-N	281.308	1.559	10	20	CDCD	
Cn1cc(/C=C\C(=O)N2CCCc3n[nH]cc32)cn1	790070990	QBOUMUBZKUCSMW-PLNGDYQASA-N	257.297	1.136	10	20	CDCD	
COc1ccc(CNC(=S)NC(C)C)c(O)c1	795030897	FHRHWRLDBGZZBZ-UHFFFAOYSA-N	254.355	1.773	10	20	CDCD	
Oc1cc2c(cc1CN1CCC3(CCO3)CC1)[C@@H](O)CO2	799957442	OSVNHZRCKFZHBU-AWEZNQCLSA-N	291.347	1.573	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCCC[C@@H]1C1OCCO1	790621369	ODPZTQIIWGTGDI-LLVKDONJSA-N	293.319	1.465	10	20	CDCD	
CC1(CCNC(=O)NCc2ccc(N)cc2)OCCO1	1262580813	ZSTUNFNZWLPQBF-UHFFFAOYSA-N	279.340	1.221	10	20	CDCD	
CN[C@H](C)CCNC(=O)N[C@H](C)c1ccccc1O	1262095381	SJEVSWUIGHBBDF-GHMZBOCLSA-N	265.357	1.750	10	20	CDCD	
Cc1cccc(O)c1CN1CCN(Cc2nc[nH]n2)CC1	1350329193	AACTUQWRIRVHPC-UHFFFAOYSA-N	287.367	1.137	10	20	CDCD	
Nc1ccc(CNC(=O)c2cccn2C2CCNCC2)cc1	1524017307	AOPDPQWVQBXSDO-UHFFFAOYSA-N	298.390	1.925	10	20	CDCD	
Cn1ccc(CSc2ncc(C(=O)O)s2)n1	1608130519	PKYCTHTUNRVPTB-UHFFFAOYSA-N	255.324	1.867	10	20	CDCD	
COc1cc(Cl)cc(CN[C@H]2C[C@H](O)C2)c1O	827827370	SXGFGMZVOVIIBC-MGCOHNPYSA-N	257.717	1.667	10	20	CDCD	
CN(Cc1ccno1)c1ccc(OCC(=O)O)cc1	1610125141	WZFMOVLRWRAIKI-UHFFFAOYSA-N	262.265	1.774	10	20	CDCD	
CC(C)C[C@@H](CNC(=O)c1c(F)ccc(O)c1O)C(=O)O	1591153564	CMOZAALOKOVFMZ-QMMMGPOBSA-N	299.298	1.714	10	20	CDCD	
CCN1C[C@H](N[C@H](C)c2cc(C(=O)O)ccc2O)CC1=O	1596403475	XZGKMPWJAMEHKV-MWLCHTKSSA-N	292.335	1.362	10	20	CDCD	
C[C@@H](CNCc1cc(F)cc(F)c1O)[C@@H](F)C(=O)O	1776426414	GSXGTBDFGJTBQH-QUBYGPBYSA-N	277.242	1.819	10	20	CDCD	
CC[C@@](C)(CCO)NCc1cc2c(cc1O)OCO2	134472361	VGHUHYWRBIYFRF-AWEZNQCLSA-N	267.325	1.762	10	20	CDCD	
CCC(CC)(CO)NC(=O)Nc1ccc(N)cc1	841300107	NIDKXPPXWGVIDT-UHFFFAOYSA-N	251.330	1.941	10	20	CDCD	
C[C@@H]1C[C@H](C(=O)O)CCN1C(=O)Cc1ccc(N)cc1	235315388	SAMBWIZNWCEHBS-ZYHUDNBSSA-N	276.336	1.523	10	20	CDCD	
CC(C)(C)C[C@H](NC(=O)c1cccc(O)c1O)C(=O)O	401369086	VEWRHLNUWAVQMC-VIFPVBQESA-N	281.308	1.717	10	20	CDCD	
CCOc1cccc(CN[C@H](C)CC(=O)NC)c1O	323040595	OLIYINFMPMFJQI-SNVBAGLBSA-N	266.341	1.405	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CCCNC(=O)C2)c1O	87884875	ZJMKNRCDEDYCSU-UHFFFAOYSA-N	280.299	1.056	10	20	CDCD	
CC[C@H](NCc1cc2c(cc1O)OCO2)[C@H](C)O	387397264	KXCHLWAOLQNJJK-WPRPVWTQSA-N	253.298	1.370	10	20	CDCD	
CO[C@@H]1COC[C@H]1N[C@H](C)c1cc(C)ccc1O	842913304	ZEMAVTXOHHCWRO-MPKXVKKWSA-N	251.326	1.765	10	20	CDCD	
CCC(=O)N1CC[C@@H](C(=O)N(C)Cc2ccccc2O)C1	119604320	RWOJFWBJOGCKID-CYBMUJFWSA-N	290.363	1.609	10	20	CDCD	
Cn1nc2c(cc1=O)CN(Cc1ccccc1O)CC2	179585382	DSHPOUDHSPTZKH-UHFFFAOYSA-N	271.320	1.044	10	20	CDCD	
COc1ccc(O)c(CNC(=O)CC[C@H]2CCOC2)c1	176146826	YPYSGKRWBOZQKB-NSHDSACASA-N	279.336	1.834	10	20	CDCD	
CN1CCCc2cc(CNC(=O)c3ccnn3C)ccc21	123673040	DOHRFVBILHAZHJ-UHFFFAOYSA-N	284.363	1.733	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)Nc1ccc(F)cn1	122477691	WJKKOJUOQXQKSU-UHFFFAOYSA-N	291.282	1.996	10	20	CDCD	
CN(CCN1C(=O)CCC1=O)c1ccc2c(c1)OCO2	121247546	DHEOZLCPXSQABO-UHFFFAOYSA-N	276.292	1.001	10	20	CDCD	
C[C@H](O)CCN(C)CC(=O)NCc1ccc(N(C)C)cc1	72713869	FZNOIJGYXZEYHR-ZDUSSCGKSA-N	293.411	1.072	10	20	CDCD	
Nc1ccc(CC(=O)N[C@@H]2CCN(C3CC3)C2)cc1	44683257	VZVRXPUIPPGJOF-CYBMUJFWSA-N	259.353	1.164	10	20	CDCD	
CCOc1cccc(CN[C@H]2CCN(C)C2)c1O	42544183	WPTRAFYMPHKRSA-LBPRGKRZSA-N	250.342	1.585	10	20	CDCD	
Oc1cccc(Cl)c1CNC[C@]1(O)CCOC1	229640477	HLHSBSUDRQABPU-GFCCVEGCSA-N	257.717	1.287	10	20	CDCD	
COc1ccc(CNC[C@@H]2CCCOC2)c(O)c1	40906816	WPPZVHKAIBNZJT-NSHDSACASA-N	251.326	1.917	10	20	CDCD	
CC[C@H](C)NC(=O)CCNCc1cc2c(cc1O)OCO2	42880276	FHTSLVNVUFITAI-JTQLQIEISA-N	294.351	1.515	10	20	CDCD	
Cc1cccc(CN2CCC[C@H](CS(C)(=O)=O)C2)c1O	294026601	VIJMNQGBFFJLOT-ZDUSSCGKSA-N	297.420	1.957	10	20	CDCD	
Cc1ccc([C@H](C)NC[C@@H]2COCCN2)c(O)c1	530228163	YCUHKWLPBQQEPF-NWDGAFQWSA-N	250.342	1.340	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@@H]2CC(=O)N(C)C2)c1	273619338	YOENXKOAIKXVNM-GXSJLCMTSA-N	292.335	1.060	10	20	CDCD	
COc1cccc(CN(C)[C@@H]2CCC[C@H]2O)c1O	289547877	IJZMXGBZUFXMBH-VXGBXAGGSA-N	251.326	1.746	10	20	CDCD	
CCOc1cccc(CN(C)[C@H](C)C(=O)OC)c1O	280906249	PZZQAFPLPGABPH-SNVBAGLBSA-N	267.325	1.784	10	20	CDCD	
Cc1c(CC(=O)NCc2ccccc2O)cnn1C	293853493	ZAGBASZJMYUCSQ-UHFFFAOYSA-N	259.309	1.293	10	20	CDCD	
CN(Cc1cc2c(cc1O)OCO2)C[C@H](O)C(F)(F)F	809751604	TYLFMGTZBNMSJC-NSHDSACASA-N	293.241	1.476	10	20	CDCD	
O=C(NCc1ccccc1O)c1cc(Cn2cccn2)on1	815833203	BREUUVTXHCIDDH-UHFFFAOYSA-N	298.302	1.555	10	20	CDCD	
C[C@H](N[C@@H]1CCCNC1)c1cc([N+](=O)[O-])ccc1O	817940106	FAVFDHZNFGVJTQ-VHSXEESVSA-N	265.313	1.703	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@]1(F)CCNC1	825942535	BXMWEJWMQLRBSY-HNNXBMFYSA-N	279.359	1.413	10	20	CDCD	
Cc1cc(O)c(CN[C@H](C)CS(C)(=O)=O)cc1Cl	825266306	JONZUHKHZJWQCR-SECBINFHSA-N	291.800	1.877	10	20	CDCD	
COC[C@H](OC)C(=O)NCc1ccc2c(c1)CCCN2C	824682983	REXRVINHKUWMBI-HNNXBMFYSA-N	292.379	1.347	10	20	CDCD	
C[C@@H](NC(=O)c1c(F)ccc(O)c1O)[C@H]1CCCOC1	828081080	MOTYGKCHWOVABC-BDAKNGLRSA-N	283.299	1.782	10	20	CDCD	
COc1ccc(CN[C@@H]2COCC[C@H]2OC)cc1C	724885125	ZYSLOWMNHDBQPZ-UKRRQHHQSA-N	265.353	1.897	10	20	CDCD	
COCC(COC)NCc1cc([N+](=O)[O-])ccc1O	824921657	OSKFIFBPDOVLQR-UHFFFAOYSA-N	270.285	1.051	10	20	CDCD	
O=C(NC1CCN(C(=O)O)CC1)c1cc(O)cs1	738486151	BKJLONQENAHRNL-UHFFFAOYSA-N	270.310	1.326	10	20	CDCD	
CC[C@H](C)NC(=O)[C@H](C)OC(=O)c1cc(O)cs1	732353528	SMYXLSTYKTTWLD-YUMQZZPRSA-N	271.338	1.914	10	20	CDCD	
CN1CC[C@@H]2CN(C(=O)/C=C/c3ccc(O)c(O)c3)C[C@@H]21	836847746	CZZDGPHWRNEIAG-CBSYICTRSA-N	288.347	1.274	10	20	CDCD	
COc1ccc(O)c(CNc2ccc(-c3nn[nH]n3)cn2)c1	737107275	AFERCHJHVNEJIO-UHFFFAOYSA-N	298.306	1.588	10	20	CDCD	
Cn1nnnc1CN(Cc1ccccc1O)C1CCCC1	732204158	DTQRUMCKTZLDEV-UHFFFAOYSA-N	287.367	1.861	10	20	CDCD	
CCC1(C(=O)NCc2ccc(O)cc2O)CCOCC1	910949632	MMNYGYHELLQJHA-UHFFFAOYSA-N	279.336	1.921	10	20	CDCD	
O=C(CCOC1CCOCC1)NCc1ccc(O)cc1O	910951519	RWFCGQASSRMCSF-UHFFFAOYSA-N	295.335	1.300	10	20	CDCD	
CN(Cc1cc2c(cc1O)OCO2)CC(C)(C)N	849350761	VIBUFXNCYOTRRF-UHFFFAOYSA-N	252.314	1.290	10	20	CDCD	
CCOCCCNC(=S)NCc1ccccc1O	748156093	DJBFLVSNFJHLDM-UHFFFAOYSA-N	268.382	1.783	10	20	CDCD	
CO[C@@H](C1CC1)[C@H](C)NC(=O)NCCc1ccc(N)cc1	841912560	LROTZBYLPCCHFE-XHDPSFHLSA-N	291.395	1.924	10	20	CDCD	
CC(C)(CCNCc1ccc2c(c1)CCO2)S(C)(=O)=O	840960446	MVFGJPKMGIYYKD-UHFFFAOYSA-N	297.420	1.924	10	20	CDCD	
CCc1cccc(CN(CCO)C2CCOCC2)c1O	848906014	POYPUUBCJSMHDY-UHFFFAOYSA-N	279.380	1.928	10	20	CDCD	
CNC(=S)N(C)CCN(C)c1ccc(OC)cc1	844582491	KDMMNUBTLSNXMJ-UHFFFAOYSA-N	267.398	1.568	10	20	CDCD	
COCC[C@H](C)CNC(=O)NCc1ccccc1O	840278081	YNQNRHCKZWDISZ-NSHDSACASA-N	266.341	1.864	10	20	CDCD	
O=C1CCCN1C[C@@H]1CCN(C(=O)c2cc(O)cs2)C1	856180849	QROFABAQHKBIRL-JTQLQIEISA-N	294.376	1.538	10	20	CDCD	
CCN1C[C@H](CNCc2ccc3c(c2)CCCO3)CC1=O	922220948	DJEKJNWRBCXIQY-AWEZNQCLSA-N	288.391	1.970	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)C[C@H]2CCS(=O)(=O)C2)c1	862761065	CCUVPFUMYYNGST-LLVKDONJSA-N	297.376	1.142	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCS[C@@H]2COCC[C@H]21	768374662	KONFBDAYVUUPGJ-MWLCHTKSSA-N	285.390	1.800	10	20	CDCD	
C[C@@H]1CN(Cc2cc3c(cc2O)OC[C@H]3O)CCS1	768453426	WXIROHUHWVHMKC-NOZJJQNGSA-N	281.377	1.755	10	20	CDCD	
CN(Cc1cc(F)c(N(C)C)cc1F)Cc1nncn1C	862368229	FHQLMBRPGOCRPJ-UHFFFAOYSA-N	295.337	1.791	10	20	CDCD	
COc1ccc(O)c(CNC2(CO)CCCC2)c1	53044733	UXNYKPOSRIXDRA-UHFFFAOYSA-N	251.326	1.796	10	20	CDCD	
O=C(COCC(F)(F)F)NCc1ccc(O)c(O)c1	768917330	KBXOAZGSFCZMOX-UHFFFAOYSA-N	279.214	1.293	10	20	CDCD	
O=C1CNC(=O)N1Cc1ccc(N2CC=CC2)cc1	761356766	AVJKNFSCBFVVHB-UHFFFAOYSA-N	257.293	1.115	10	20	CDCD	
Cc1cccc(O)c1CNCC[C@]1(O)CCCOC1	877614655	KTCFGKCLXBQCQY-OAHLLOKOSA-N	265.353	1.722	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCOC1=O	873860666	TWAAQOQVJJOPFV-UHFFFAOYSA-N	291.351	1.163	10	20	CDCD	
CC(C)C[C@H](O)CNC(=O)/C=C\c1ccc(O)c(O)c1	779485706	MOZUKJAAGQYVLR-RNZFLTOJSA-N	279.336	1.634	10	20	CDCD	
CC(C)(NC(=O)c1cc(O)cs1)c1cnn[nH]1	898149145	FGLVACFGXASUKJ-UHFFFAOYSA-N	252.299	1.237	10	20	CDCD	
COc1cc(C)cc(CN[C@H](CO)[C@@H]2CCCOC2)c1O	894993872	KYCUYIOFTVGFPK-TZMCWYRMSA-N	295.379	1.586	10	20	CDCD	
C[C@]1(CO)C[C@H](O)CN1Cc1c(O)ccc(Cl)c1F	895328913	HLPLKCCSVYVYDK-ISVAXAHUSA-N	289.734	1.502	10	20	CDCD	
COc1ccc(CN2CC[C@H](O)[C@H](C)C2)c(O)c1OC	893712256	QOSRSVFXYZHLQX-PWSUYJOCSA-N	281.352	1.612	10	20	CDCD	
CC(C)(O)CCNCc1cc2c(cc1O)OCO2	274718629	CXOLUJJOFWBUEF-UHFFFAOYSA-N	253.298	1.372	10	20	CDCD	
C[C@H]1OCC[C@]12CN(C(=O)c1cc(O)cs1)CCO2	792674437	QIUDXXVFLZXXSQ-RNCFNFMXSA-N	283.349	1.474	10	20	CDCD	
CCO[C@@H]1C[C@@H](NCc2ccc3c(c2)CCO3)[C@H]1OC	775979202	RTYKAEIRLFOYFN-FVQBIDKESA-N	277.364	1.904	10	20	CDCD	
O=C(O)[C@]1(O)CCN(Cc2cc(Cl)ccc2O)C1	1601722865	ZHJOTHHUFZFATE-LBPRGKRZSA-N	271.700	1.067	10	20	CDCD	
CCN(C[C@H]1CCCO1)C(=O)NCc1ccc(N)cc1	1335738148	WODGQKNEWJOKDB-CQSZACIVSA-N	277.368	1.979	10	20	CDCD	
Nc1ccc(CN2CC[C@H](NC(=O)NC3CC3)C2)cc1	1337837745	DMTXULIWKKKLCV-AWEZNQCLSA-N	274.368	1.305	10	20	CDCD	
Cc1cc(CN2C[C@@H](CO)[C@H](CO)C2)ccc1N(C)C	1331628396	IBGHQRGWAMFLOI-GJZGRUSLSA-N	278.396	1.094	10	20	CDCD	
O=C(O)c1cnc(SC[C@H]2CCOCO2)s1	1608979386	YBCMIZZPYSXLKW-ZCFIWIBFSA-N	261.324	1.696	10	20	CDCD	
CCOC(=O)COCCSc1ncc(C(=O)O)s1	1610017556	FEHHDXWYAKPUMK-UHFFFAOYSA-N	291.350	1.513	10	20	CDCD	
COC(=O)c1cccc(C(=O)NCc2ccc(N)cc2)c1	1578875420	MEMAIGYRHJKDLY-UHFFFAOYSA-N	284.315	1.985	10	20	CDCD	
C[C@@H]1C[C@@](NCc2ccc3c(c2)CCO3)(C(=O)O)CCO1	1776600594	INFNEVUQWZTXBD-BDJLRTHQSA-N	291.347	1.733	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NCc2cn(C)cn2)c1	851899915	KCCZGUARINMMNL-SNVBAGLBSA-N	261.325	1.985	10	20	CDCD	
Nc1ccc(CC(=O)NC[C@H](O)c2ccccc2)cc1	35599017	BBSQFQUGESPZPY-HNNXBMFYSA-N	270.332	1.661	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CC[C@@](F)(CO)C2)c1O	802014305	PQMDNPMKJCQLEZ-AWEZNQCLSA-N	285.290	1.640	10	20	CDCD	
COc1ccc(O)c(CN2CC[C@@H]([C@H](C)N)C2)c1	126904343	SIDALCANVWGRMT-WDEREUQCSA-N	250.342	1.570	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC[C@@H](O)COC(C)C)c1	182362494	OQDIAKRQDPBGIU-NWDGAFQWSA-N	283.368	1.837	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N2CCC[C@@](C)(O)C2)cc1	125354007	HPLUAGFBJNXSPW-MRXNPFEDSA-N	291.395	1.809	10	20	CDCD	
CCN(Cc1cc(F)ccc1O)[C@H]1CCNC1=O	281905232	ZMFUMJBOZDXVHP-NSHDSACASA-N	252.289	1.242	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H]1CCCOC1	180959580	LNMBCTXQAPZDKN-FUEXJSSKSA-N	277.320	1.654	10	20	CDCD	
C[C@H]1CCCN(C(=O)Cc2ccc(N)cc2)[C@H]1CN	237701346	OGNBILOKKYCIJL-FZMZJTMJSA-N	261.369	1.397	10	20	CDCD	
C[C@H]1CCNC(=O)[C@@H]1NCc1ccc2c(c1)CCO2	193696429	ZUIVLWCACXULQK-IINYFYTJSA-N	260.337	1.236	10	20	CDCD	
O=C(NCc1ccc(N2CCCC2)cc1)c1cn[nH]c1	194263626	ZWCWKWNTECFTRU-UHFFFAOYSA-N	270.336	1.940	10	20	CDCD	
CCOc1ccc(N(CC)CCOCCO)cc1	265785979	LKHRHDZSUXQKPG-UHFFFAOYSA-N	253.342	1.921	10	20	CDCD	
COc1cccc(CN2CC[C@H](N)[C@@H](C)C2)c1O	94339022	NWELMVBKDFDFAQ-JQWIXIFHSA-N	250.342	1.570	10	20	CDCD	
Cn1nnnc1CN1CCCc2cc(OC(F)F)ccc21	363199655	XDJUPSNQLOUECP-UHFFFAOYSA-N	295.293	1.764	10	20	CDCD	
O=C(NCc1ccccc1O)N[C@H]1CCCOCC1	271906601	NZMIRFGDDWFKHU-LBPRGKRZSA-N	264.325	1.761	10	20	CDCD	
CCOC(=O)CN(C)Cc1cc(OC)c(OC)cc1O	271771097	FGBHUUZFCRTLLB-UHFFFAOYSA-N	283.324	1.404	10	20	CDCD	
CCN(Cc1cc(Br)ccc1O)C(=O)CO	283811405	XJVCDNPZQMZLNV-UHFFFAOYSA-N	288.141	1.496	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CCc2ncc[nH]2)cc1F	287606420	HBUVTZMUCILFPX-UHFFFAOYSA-N	290.342	1.864	10	20	CDCD	
CCOCC1(C(=O)NCc2cccc(OC)c2O)CC1	281946924	LSXZUIATCQJHQI-UHFFFAOYSA-N	279.336	1.834	10	20	CDCD	
CC(=O)C(=O)COC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C	808484389	PHOXQEKHLRAOTJ-JTQLQIEISA-N	299.323	1.087	10	20	CDCD	
CCCN(Cc1ccccc1O)C[C@@H](O)COCCOC	295086301	RRPQKKQPVWATHX-OAHLLOKOSA-N	297.395	1.628	10	20	CDCD	
COc1cccc(O)c1CN1CC[C@](F)(CO)C1	802661045	FHHFXMPDYJFDLD-CYBMUJFWSA-N	255.289	1.307	10	20	CDCD	
CCOc1cccc(CN2C[C@@H](CO)OC(C)(C)C2)c1O	817412059	BXLFPCPAWFDCKW-ZDUSSCGKSA-N	295.379	1.763	10	20	CDCD	
CN(C)c1ccc([C@H](N)CN[C@@H]2CCC[C@@H]2CN)cc1	817943872	WHGBJQTVGIXMQE-FVQBIDKESA-N	276.428	1.469	10	20	CDCD	
CN1CCN(c2ccc(CNCc3cncn3C)cc2)CC1	810159112	DQWFHIDFQATUSX-UHFFFAOYSA-N	299.422	1.462	10	20	CDCD	
Cc1cc(CN2C[C@H](C)O[C@@H](CO)C2)ccc1N(C)C	815100857	WAPHEXWXUOQGSC-DZGCQCFKSA-N	278.396	1.643	10	20	CDCD	
CNC[C@H](C)C(=O)N[C@@H](C)c1cc(OC)ccc1O	828666212	BVLMDAAUXHLRDG-UWVGGRQHSA-N	266.341	1.434	10	20	CDCD	
Cc1cc(O)c(CNC[C@@]2(O)CCO[C@H]2C)cc1Cl	825731145	DANCZWAWPZHDBQ-HZMBPMFUSA-N	285.771	1.984	10	20	CDCD	
C[C@@H](NC(=O)[C@@H]1C[C@@H]1N)c1ccc(N2CCOCC2)cc1	827725941	QOXAOWJAYPRSJL-DFBGVHRSSA-N	289.379	1.048	10	20	CDCD	
COC(C)(C)CNC(=O)/C=C\c1ccc(O)c(O)c1	588406650	WIDBKFQGNUQWQC-ALCCZGGFSA-N	265.309	1.652	10	20	CDCD	
COc1ccc(N(C)CCN(C)CN2CCOC2=O)cc1	902302106	LLSJZOWSCFIJOB-UHFFFAOYSA-N	293.367	1.473	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)Cc1cnc[nH]1	900895846	SIOVVGICTKFMOE-UHFFFAOYSA-N	286.335	1.444	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)[C@@H]1C[C@@H]1C(N)=O	901051378	CKKWQVQJSUMKJW-NWDGAFQWSA-N	276.336	1.252	10	20	CDCD	
OCC1(NCc2ccccc2O)CCSCC1	839177615	NOHINHBKRQLZLN-UHFFFAOYSA-N	253.367	1.740	10	20	CDCD	
COC(=O)c1cnc(SCC2(O)CCC2)s1	834382117	CQBQTSGPKOEJLM-UHFFFAOYSA-N	259.352	1.937	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1O[C@H]2C=C[C@H]1CC2	831520323	FJWOCWAIWOFRIN-BFRATIRHSA-N	273.288	1.972	10	20	CDCD	
COc1cccc(CNC(=O)[C@H](O)c2cccnc2)c1O	732284524	VEVRNDZLFNXVLA-CQSZACIVSA-N	288.303	1.146	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)c1cc([N+](=O)[O-])c[nH]1	734513005	CMUOOZCWNBXOCX-UHFFFAOYSA-N	291.263	1.307	10	20	CDCD	
CCn1nncc1CN1CCOc2cc(N(C)C)ccc21	838906011	HAOXMFSWJTUHMG-UHFFFAOYSA-N	287.367	1.763	10	20	CDCD	
CCC[C@@H](O)[C@@H](CO)NCc1ccc(OC)c(C)c1	842226189	MBXMLTSWEIHOGT-ZIAGYGMSSA-N	267.369	1.615	10	20	CDCD	
CO[C@H](C)CS(=O)(=O)Nc1ccc(O)cc1Cl	849308024	DQVSIRDYZPCKBX-SSDOTTSWSA-N	279.745	1.822	10	20	CDCD	
COc1ccc(O)c(CN(C[C@@H](C)O)C2CC2)c1	848929691	YTAKFLONSMMLGX-SNVBAGLBSA-N	251.326	1.746	10	20	CDCD	
C[C@@H](CC(N)=O)NCc1ccc(N2CCOCC2)c(F)c1	749127064	UEFACWXXHVHOFF-NSHDSACASA-N	295.358	1.016	10	20	CDCD	
CC[C@@H](C(=O)O)C(=O)NCc1c(O)ccc2c1CCCC2	911451215	LFVJJWFJLWZMKZ-LLVKDONJSA-N	291.347	1.998	10	20	CDCD	
NC(=O)[C@H]1CC[C@@H]1C(=O)NCc1cc(Cl)ccc1O	848242298	BGHHOYODUFUMBA-UWVGGRQHSA-N	282.727	1.173	10	20	CDCD	
COC/C(C)=C\C(=O)NCc1ccc(N(C)C)cc1	844307749	TUFONKPECISOCI-XFXZXTDPSA-N	262.353	1.962	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNCCN1CCNCC1	841045210	OZJUZXWSJTZTQM-UHFFFAOYSA-N	276.428	1.056	10	20	CDCD	
Cn1cnc(/C=C/C(=O)N2CCCc3ncccc32)c1	929690238	HYNLDNBXJARSMZ-VOTSOKGWSA-N	268.320	1.808	10	20	CDCD	
CC1(C)C[C@]1(C)NC(=O)C(=O)Nc1ccc(N)cc1	850853273	CKAYGFJHRIOIPM-AWEZNQCLSA-N	261.325	1.512	10	20	CDCD	
COc1cccc(CNC(=O)c2csnn2)c1O	769499356	WJWPRHCTEIQIKL-UHFFFAOYSA-N	265.294	1.182	10	20	CDCD	
CC[C@@]1(O)CCN(C(=O)NCc2ccc(N(C)C)cc2)C1	778272493	SGKVVQJVOWWJPY-MRXNPFEDSA-N	291.395	1.809	10	20	CDCD	
Cc1cccc(O)c1CNCCN1CCOC(C)(C)C1	877021163	RFCRATBVPYVMET-UHFFFAOYSA-N	278.396	1.901	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCN([C@H]2CCOC2)CC1	771030923	GDPBRUZYYBOEGV-JTQLQIEISA-N	282.365	1.000	10	20	CDCD	
CCN(CCO)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	776237939	KJENUWFOIUKWBU-LBPRGKRZSA-N	279.384	1.837	10	20	CDCD	
CCc1cccnc1C(=O)NCc1ccc(O)c(O)c1	778919136	VEWZKGDBDAWKLM-UHFFFAOYSA-N	272.304	1.985	10	20	CDCD	
COc1cccc(CNC(=O)[C@@]2(C)CC(C)=NO2)c1O	1120708822	ICQWORIROFXAOC-CQSZACIVSA-N	278.308	1.572	10	20	CDCD	
CS[C@@H](CO)[C@@H](C)NCc1ccc2c(c1)CCO2	219065423	AKXQTUPCAUHDLY-YGRLFVJLSA-N	267.394	1.824	10	20	CDCD	
COCCOC[C@H](C)NCc1cc(C)cc(OC)c1O	894307861	NMPLUIXFQHRUAU-LBPRGKRZSA-N	283.368	1.850	10	20	CDCD	
CN(C)C(=O)N1CCN(Cc2cc(F)cc(F)c2O)CC1	893941134	XIBPEEDRTHTZMG-UHFFFAOYSA-N	299.321	1.470	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@H](O)C(C)C	796503232	XLXUKDMWBNHHEL-CQSZACIVSA-N	264.369	1.694	10	20	CDCD	
Cc1ccc(CNC(=O)Cc2ccc(N)cc2)cn1	59929681	WUMBNMOIWLDNID-UHFFFAOYSA-N	255.321	1.831	10	20	CDCD	
Cn1ncc2c(NCc3ccccc3O)ncnc21	133737690	XOQYXSISTJLWPE-UHFFFAOYSA-N	255.281	1.681	10	20	CDCD	
CN(C)C(=O)OCCOC(=O)/C=C\c1ccc(O)c(O)c1	1320491566	NYUQKYGBZDNGOE-XQRVVYSFSA-N	295.291	1.352	10	20	CDCD	
C[C@H](O)C[C@H](C)CNC(=O)NCc1ccc(N)cc1	1337020012	WSJMIWLSFQRTFL-QWRGUYRKSA-N	265.357	1.475	10	20	CDCD	
C[C@@H](NCc1nc(O)c2cnn(C)c2n1)c1ccccc1O	1349689053	FYSMNGOGKKVLLN-SECBINFHSA-N	299.334	1.625	10	20	CDCD	
Nc1ccc(CNC(=O)NCCCN2CCCCC2)cc1	1356556785	JQBFSGJWSHXXCH-UHFFFAOYSA-N	290.411	1.944	10	20	CDCD	
Cc1ccc(C(=O)N2CCC[C@@H]2CO)c(O)c1O	153963645	NAHIKEHZBOTTQD-SECBINFHSA-N	251.282	1.003	10	20	CDCD	
Nc1ccc(CC(=O)NCCOCC(F)(F)F)cc1	111633804	XPRCUVDMQGSFBZ-UHFFFAOYSA-N	276.258	1.506	10	20	CDCD	
Cc1ccc(CNC(=O)c2cccc(O)c2O)cn1	126397958	WIFRSPAXZYLLRM-UHFFFAOYSA-N	258.277	1.731	10	20	CDCD	
CC(=O)NC1CCN(Cc2ccc(C)cc2O)CC1	876651522	DJAIAYYGVOTXQP-UHFFFAOYSA-N	262.353	1.801	10	20	CDCD	
COCCN1CC[C@H](NCc2cc(F)cc(F)c2O)C1	882989270	IYLPFQDBRXLZLA-LBPRGKRZSA-N	286.322	1.481	10	20	CDCD	
COc1cccc(CNCCN2CCCC2=O)c1O	405332318	CZJZJYUDAABBMU-UHFFFAOYSA-N	264.325	1.113	10	20	CDCD	
CC(=O)NCCCNCc1cc(F)cc(F)c1O	708501785	IZBPBXHJIFEHQP-UHFFFAOYSA-N	258.268	1.286	10	20	CDCD	
CCc1cccc(CNC[C@](C)(O)CCOC)c1O	691449556	UYNVDUVXPFESFA-OAHLLOKOSA-N	267.369	1.832	10	20	CDCD	
C[C@H](N[C@H](C)CN1CCN(C)CC1)c1cc(F)ccc1O	185393097	SOROEPVDTRXTOK-OLZOCXBDSA-N	295.402	1.818	10	20	CDCD	
COc1cc(N2C[C@@H](C)N[C@H](C)C2)c([N+](=O)[O-])cc1OC	213809859	HFKYQWUGJQFPCD-NXEZZACHSA-N	295.339	1.799	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC[C@@H](O)COC(C)C)c1	182362532	OQDIAKRQDPBGIU-VXGBXAGGSA-N	283.368	1.837	10	20	CDCD	
COC(=O)[C@H](C)NCc1cc(Cl)cc(OC)c1O	229050673	BKPIRZTZVDYSAF-ZETCQYMHSA-N	273.716	1.705	10	20	CDCD	
Nc1ccc(CCNC(=O)c2cc(C3CC3)[nH]n2)cc1	237953958	NZIDPRNBBNXHPB-UHFFFAOYSA-N	270.336	1.842	10	20	CDCD	
Cc1ccc(C(=O)NCCCn2ccnc2C)c(O)c1O	272877307	XFKMYENKQFCSCG-UHFFFAOYSA-N	289.335	1.731	10	20	CDCD	
COCCO[C@@H]1C[C@@H](CO)CN(Cc2ccccc2O)C1	278707121	OHUYZHIQRQCOMO-UKRRQHHQSA-N	295.379	1.238	10	20	CDCD	
COC[C@@H](O)CN[C@@H](C)c1cc(Cl)ccc1O	273585230	NRPXBRLNWNMIOJ-WPRPVWTQSA-N	259.733	1.704	10	20	CDCD	
C[C@@H](CN)C(=O)NCc1ccc(N(C)C)c(F)c1	285688777	ALAMEXNNUDKPJJ-VIFPVBQESA-N	253.321	1.103	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CC[C@H]1C(N)=O	816822574	PICJPMJEFKXRPV-ZIAGYGMSSA-N	289.379	1.223	10	20	CDCD	
C[C@@H]1C[C@H](CO)CN(Cc2cc3c(cc2O)OCO3)C1	817412051	BUZGNPVEKLVEHM-MNOVXSKESA-N	279.336	1.571	10	20	CDCD	
CC(C)C[C@@H](NC(=O)O)C(=O)NCc1ccc(O)c(O)c1	826800595	MEDOQJYFXQSPCH-SNVBAGLBSA-N	296.323	1.396	10	20	CDCD	
COc1cccc(O)c1CNC[C@H]1CCOC[C@@H]1OC	824709195	OOWTTXQAPQXADK-ABAIWWIYSA-N	281.352	1.542	10	20	CDCD	
c1cc2c(cc1CNC[C@@H]1CNCCCO1)CCCO2	904358093	HUHYLEGOPGKXJS-HNNXBMFYSA-N	276.380	1.480	10	20	CDCD	
C[C@@H]1CCCN(C(=O)COC(=O)c2cc(O)cs2)C1	731910226	PFZYSHRTLHSOPD-SECBINFHSA-N	283.349	1.869	10	20	CDCD	
CN1CCC[C@H](CCNC(=O)c2c(F)ccc(O)c2O)C1	839799881	RSZWYQUQXQIAQG-SNVBAGLBSA-N	296.342	1.699	10	20	CDCD	
CNC(=O)[C@H](C)CN(C)Cc1c(C)cccc1O	876798863	QUGQFZQRQRHFEU-LLVKDONJSA-N	250.342	1.515	10	20	CDCD	
CCCn1nccc1C(=O)NCc1cc(OC)ccc1O	830545485	ZBRJHPZHVJIHTA-UHFFFAOYSA-N	289.335	1.937	10	20	CDCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H](C)N	843485587	MPUWLMMDPXNZIP-LBPRGKRZSA-N	263.385	1.837	10	20	CDCD	
CC(C)(C)n1nnc(CN[C@H]2CCc3cccc(O)c32)n1	848561436	WCYUTOJVDYHTSJ-NSHDSACASA-N	287.367	1.911	10	20	CDCD	
CCCC[C@H](CN)NC(=O)NCc1ccc(OC)cc1O	841957380	IUAOMHCUOQLEMC-GFCCVEGCSA-N	295.383	1.718	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2CCC[C@@H](N)C2)c1O	843047670	UYVMCVOTSIIFST-SNVBAGLBSA-N	281.312	1.232	10	20	CDCD	
COC(=O)C[C@@H](O)CSc1ncc(Cl)s1	849999072	MXCHWNHWSHKURN-RXMQYKEDSA-N	267.759	1.813	10	20	CDCD	
CNCCNC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	841934755	JPOVQEUMYNSJNJ-UHFFFAOYSA-N	292.427	1.892	10	20	CDCD	
CN(CC1=CCCOC1)C(=O)NCCc1ccc(N)cc1	851663223	WDRJWYYXWZHDKX-UHFFFAOYSA-N	289.379	1.799	10	20	CDCD	
CN1CCN(c2ccc(CN(C)C3CC(O)C3)cc2)CC1	761222728	MGICOYWRZNTIPX-UHFFFAOYSA-N	289.423	1.394	10	20	CDCD	
CCOc1cccc(CN2CCO[C@@H](C(=O)OC)C2)c1O	769333140	QOVZPHHTPRCWOG-CYBMUJFWSA-N	295.335	1.165	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2cccc(O)c2O)cn1	776329550	BAAYBBHHNWQLHM-UHFFFAOYSA-N	287.319	1.489	10	20	CDCD	
CNC(=O)[C@H]1CCC[C@@H]1NCc1cccc(C)c1O	776253516	XDZLQDFDIMFEHI-STQMWFEESA-N	262.353	1.705	10	20	CDCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2NCCN1CCNCC1	1118058046	ITLXDWKYCGQFEX-KBPBESRZSA-N	289.423	1.744	10	20	CDCD	
CCOc1ccc(CN2CC[C@@H](C)C[C@H]2C(N)=O)c(O)c1	779201378	YUUDHCQLTHJVCM-RISCZKNCSA-N	292.379	1.877	10	20	CDCD	
O=C1C[C@H](NCCCSc2nccs2)CCCN1	877061508	JNBVSNYYUHARNG-SNVBAGLBSA-N	285.438	1.884	10	20	CDCD	
CCOc1ccc(O)c(CN[C@H](CO)C[C@@H]2CCCO2)c1	886229888	XJYKWPMZWXQLJW-KBPBESRZSA-N	295.379	1.811	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCSC1	773750414	GMGFWNLXONMSKJ-KOLCDFICSA-N	281.377	1.898	10	20	CDCD	
C[C@@H](NS(=O)(=O)[C@@H]1CCOC1)c1ccc(N(C)C)cc1	773083895	KYLFYGZLRMYDPX-BXUZGUMPSA-N	298.408	1.522	10	20	CDCD	
Oc1c(F)cc(F)cc1CNCCN1CCCOCC1	894777470	PQPTXPWCECBSIQ-UHFFFAOYSA-N	286.322	1.482	10	20	CDCD	
C[C@H]1CN(C)C(=O)CN1Cc1cc(F)cc(F)c1O	894533433	JBNWQZQAQTWHOM-QMMMGPOBSA-N	270.279	1.333	10	20	CDCD	
CC1(C)CN(Cc2cc(F)cc(F)c2O)C[C@@H]1O	894597083	URKOWIAIBOXOMF-NSHDSACASA-N	257.280	1.873	10	20	CDCD	
OC[C@@]12C[C@@H]1CN(Cc1cc(Cl)cc(F)c1O)C2	783733701	ITSIHYQXHTVEII-RNCFNFMXSA-N	271.719	1.999	10	20	CDCD	
COc1cc(C)cc(CNCC2([S@@](C)=O)CC2)c1O	894661932	GWVJQQDQZCFPEC-LJQANCHMSA-N	283.393	1.710	10	20	CDCD	
Nc1ccc(CC(=O)N[C@@H](Cc2ccccc2)C(=O)O)cc1	82700098	SWMQNXSFRJUNJG-HNNXBMFYSA-N	298.342	1.623	10	20	CDCD	
COc1ccc(CNC(=O)c2cccc3nccn23)c(O)c1	794388451	UTKURPQTIBFZJK-UHFFFAOYSA-N	297.314	1.979	10	20	CDCD	
Cc1ccc(C(=O)NOC/C=C/Cl)c(O)c1O	794295692	JXVUVUHCOOJVLJ-GORDUTHDSA-N	257.673	1.820	10	20	CDCD	
Nc1ccc(CNC(=O)NCC[C@H](O)C2CC2)cc1	1335723928	DKRJSNWUKBUDGD-ZDUSSCGKSA-N	263.341	1.229	10	20	CDCD	
CCc1cc(C(=O)NCc2cccc(O)c2O)c(C)nn1	1263894442	GSZSUGGGMHTAOK-UHFFFAOYSA-N	287.319	1.689	10	20	CDCD	
CC[C@@](C)(CNC(=O)c1c(F)ccc(O)c1O)OC	1344402503	ATLVAYUXGOLZOI-ZDUSSCGKSA-N	271.288	1.782	10	20	CDCD	
COc1cc(C)c(CN2CC[C@H]3NCC[C@H]3C2)c(O)c1	1579144437	GJYOMLCPBNDRRQ-SWLSCSKDSA-N	276.380	1.893	10	20	CDCD	
C[C@@H](C(=O)O)n1cc(COc2ccc(N)cc2)nn1	1589539665	KCECKJYQRZUKHJ-QMMMGPOBSA-N	262.269	1.085	10	20	CDCD	
C[C@@H]1[C@H](C(=O)O)CCN1C(=O)NCCc1ccc(N)cc1	1594148691	DILDGSBENWYCBS-ZWNOBZJWSA-N	291.351	1.316	10	20	CDCD	
C[C@H]1NC(=S)N(Cc2ccc(N(C)C)cc2)C1=O	15570261	BZWGYQDUZVNKPB-SECBINFHSA-N	263.366	1.358	10	20	CDCD	
Oc1ccc(F)cc1CN1CCN([C@H]2CCOC2)CC1	827118630	DOWVMNKVVXOJNW-AWEZNQCLSA-N	280.343	1.438	10	20	CDCD	
COc1ccc(O)c(CNC[C@@]2(OC)CCOC2)c1	126980406	HUYCUPGNBDLESY-AWEZNQCLSA-N	267.325	1.296	10	20	CDCD	
CC(C)[C@H]1NCC[C@@H]1C(=O)NCc1ccccc1O	289602206	BRUSJJIBZSMQEP-GXTWGEPZSA-N	262.353	1.643	10	20	CDCD	
CC(C)(C)[C@@H](CO)NCc1cc2c(cc1O)OCO2	194635108	DQOVHBVOYNSBKK-CYBMUJFWSA-N	267.325	1.618	10	20	CDCD	
COCC[C@H](CO)NCc1ccc(N2CCCC2)cc1	312158508	KUPOWPBMJWNCIW-OAHLLOKOSA-N	278.396	1.774	10	20	CDCD	
Nc1ccc(CCNC(=O)[C@H]2CC[C@H]2C(=O)O)cc1	397117854	YGZZBXLZLXYIJY-NWDGAFQWSA-N	262.309	1.038	10	20	CDCD	
O=C(NCc1cccc(O)c1O)c1cc(C2CC2)on1	1348047608	ONLVXWMZNQDFIL-UHFFFAOYSA-N	274.276	1.893	10	20	CDCD	
O=C(NCc1ccccc1O)c1ccc(N2CCCC2)nn1	69423089	ODQMOLYOHNMJMF-UHFFFAOYSA-N	298.346	1.712	10	20	CDCD	
CCOC(=O)CC(=O)NCc1ccc2c(c1)CCCN2C	194611965	FQHUVHIGXCOOLV-UHFFFAOYSA-N	290.363	1.638	10	20	CDCD	
COc1cccc(CNC(=O)N[C@@H](C)[C@@H]2CCOC2)c1O	266793095	NAMKMQPLUUTAKI-CMPLNLGQSA-N	294.351	1.625	10	20	CDCD	
COCCn1cc(CNCc2ccccc2O)cn1	266214495	PKIYKPLLGBGZNE-UHFFFAOYSA-N	261.325	1.525	10	20	CDCD	
COC(=O)[C@@H]1C[C@H](OC)CCN1Cc1ccccc1O	360001737	WOPODKIIWWGGTG-OLZOCXBDSA-N	279.336	1.545	10	20	CDCD	
CCC[C@H](O)CN[C@H](C)c1cc(C(=O)OC)ccc1O	273557795	HHRUNZQETUINHH-PWSUYJOCSA-N	281.352	1.990	10	20	CDCD	
CN1CC(=O)N(Cc2ccc(N(C)C)c(F)c2)C1=O	272320709	BHKSJVSJHPLILW-UHFFFAOYSA-N	265.288	1.286	10	20	CDCD	
CN1CCN(C(=O)CCSc2nccs2)CC1	282861267	BKJRZXYQAHQINH-UHFFFAOYSA-N	271.411	1.399	10	20	CDCD	
Cc1ccc([C@H](C)N[C@H](C)C(=O)NCCF)c(O)c1	282489957	HQLDOZVVKANRTR-WDEREUQCSA-N	268.332	1.825	10	20	CDCD	
Cc1cc(Cl)cc(CNCc2cnnn2C)c1O	290076165	GFCSFMKCPSVPHK-UHFFFAOYSA-N	266.732	1.772	10	20	CDCD	
COC(=O)c1cnc(SCC2OCCO2)s1	294914905	BTLAHYOZSASWMO-UHFFFAOYSA-N	261.324	1.395	10	20	CDCD	
CN(CCOCCO)Cc1cc(Cl)ccc1O	800545411	QKAVEBRFFCUOIY-UHFFFAOYSA-N	259.733	1.486	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccnnc1	819761432	QEWQSTYBIYTMQM-UHFFFAOYSA-N	278.308	1.598	10	20	CDCD	
C[C@@H](O)CNCc1ccc(N2CCSCC2)cc1	818964236	OSWDRTDCHPECHR-GFCCVEGCSA-N	266.410	1.710	10	20	CDCD	
CCOc1cccc(CNC[C@H]2CCOC[C@H]2OC)c1O	824710525	ZWLFAXRRSSPEGN-IUODEOHRSA-N	295.379	1.932	10	20	CDCD	
COC[C@@]1(CO)CCN(Cc2cccc(C)c2O)C1	825158511	NMHMXMUSBBNCBT-HNNXBMFYSA-N	265.353	1.531	10	20	CDCD	
CCOC(=O)CN(Cc1ccno1)Cc1ccccc1O	823576769	YGRXQKPBQQWWDL-UHFFFAOYSA-N	290.319	1.946	10	20	CDCD	
CCOC(=O)CN(Cc1ccccc1O)CC1OCCO1	823576783	ZAOZOWMFYYMCQD-UHFFFAOYSA-N	295.335	1.130	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H]2C[C@]2(C)OC)c1O	827716170	VKEXVYBZKOLVKV-MFKMUULPSA-N	282.296	1.576	10	20	CDCD	
C[C@@H]1CNC[C@H]1NCc1cc(Cl)cc(F)c1O	903963916	JKWXBPLSPTWUMX-RDDDGLTNSA-N	258.724	1.882	10	20	CDCD	
CNC(=O)CN1CCCc2cc(OC)cc(OC)c21	839654986	PYKBROHPFFHJPE-UHFFFAOYSA-N	264.325	1.202	10	20	CDCD	
C[C@](CCF)(NCc1ccc2c(c1)CCO2)C(=O)O	901915832	QMVVBBDHVNIQIT-CQSZACIVSA-N	267.300	1.914	10	20	CDCD	
CCCN1CCC[C@@H]1C(=O)NCc1ccc(O)cc1O	910951105	BHPNSAWIJWDKMJ-CYBMUJFWSA-N	278.352	1.588	10	20	CDCD	
CC(C)(C)[C@@H](N)CC(=O)NCCc1ccc(N)cc1	911783726	XXCCYFWKQRWNCD-ZDUSSCGKSA-N	263.385	1.691	10	20	CDCD	
CCOc1ccc(CN2C[C@@H](N)[C@H](C)C2)c(O)c1	843120374	HOEWFDVYRBJQTR-ZWNOBZJWSA-N	250.342	1.570	10	20	CDCD	
C[C@H]1CSC[C@H]1NC(=O)NCCc1ccc(N)cc1	841901794	MOZAJEYNDGIOEZ-GXFFZTMASA-N	279.409	1.862	10	20	CDCD	
COCCNC(=O)C1(N[C@H](C)c2cc(F)ccc2O)CC1	840823169	VLZFJXRXKIOMIG-SNVBAGLBSA-N	296.342	1.477	10	20	CDCD	
C[C@H](NC(=O)[C@@H]1CC[C@H]1C(N)=O)c1ccc(N(C)C)cc1	847760399	JQXPDYUFVJDTOU-ZLKJLUDKSA-N	289.379	1.441	10	20	CDCD	
CCOc1ccc(CN=c2nc[nH]n2C(C)C)c(O)c1	840887519	YOJCFDYHBXTJER-UHFFFAOYSA-N	276.340	1.997	10	20	CDCD	
C[C@@H](COCC1CC1)NC(=O)c1cccc(O)c1O	846526602	BTOHTVMXPRWEHV-VIFPVBQESA-N	265.309	1.643	10	20	CDCD	
C[C@H](NC[C@@H]1CCCNC1=O)c1cc(F)cc(F)c1O	840826409	XJYIAYAIGHFICV-IUCAKERBSA-N	284.306	1.847	10	20	CDCD	
C[C@@H](CNCc1cccc(Br)c1O)C(=O)O	848637225	DDCQFWVCPUBCAD-ZETCQYMHSA-N	288.141	1.965	10	20	CDCD	
CCCCn1nnnc1COC(=O)c1cccc(O)c1O	758573478	SMIMSCCOWQCDFI-UHFFFAOYSA-N	292.295	1.241	10	20	CDCD	
O=C(OC[C@H]1CC2(CCC2)C(=O)O1)c1cccc(O)c1O	758548033	OPYWXSNHQKIIIQ-SECBINFHSA-N	292.287	1.740	10	20	CDCD	
CN(C)c1cc(F)c(CNC[C@H]2CNC(=O)C2)cc1F	858176531	AMUIGNILQLNLOY-VIFPVBQESA-N	283.322	1.257	10	20	CDCD	
Nc1ccc(CN2CCC[C@H]2C(=O)NC2CC2)cc1	1337834093	MUSGKVOSFLICOQ-AWEZNQCLSA-N	259.353	1.512	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)NC[C@@H](CO)CC1CC1	855916229	MAHNVMYIPWVYMB-AGLBCWCQSA-N	291.347	1.636	10	20	CDCD	
C[C@H]1OCC[C@H]1NCc1ccc(N2CCC(O)CC2)cc1	850406388	FNNCVGFUGYRFKW-CXAGYDPISA-N	290.407	1.915	10	20	CDCD	
O=C(NCc1ccc(N2CCOCC2)cc1)c1cnco1	758654303	PHRFORFIDSVULT-UHFFFAOYSA-N	287.319	1.441	10	20	CDCD	
CN(C)[S@@](C)(=O)=NC(=O)CSc1nccs1	865353018	VQUHCPJIDLGFPY-INIZCTEOSA-N	279.412	1.336	10	20	CDCD	
Cc1ccc(CN2CCOC[C@H]2c2ncon2)c(O)c1	877179308	QOGAVHXFARIFMH-LBPRGKRZSA-N	275.308	1.657	10	20	CDCD	
Cc1ccc(CN2CC[C@@H]3NC(=O)CC[C@H]3C2)c(O)c1	877628488	IKZQDPSNUFPMKU-JSGCOSHPSA-N	274.364	1.801	10	20	CDCD	
CCOC1CC(O)(CNC(=O)c2cc(O)cs2)C1	774580833	TWRMUXZSTBICRG-UHFFFAOYSA-N	271.338	1.114	10	20	CDCD	
Cc1ccc(CNCc2cc(F)cc(F)c2O)c(=O)n1C	883105462	KKEMVQKPAFOUIT-UHFFFAOYSA-N	294.301	1.967	10	20	CDCD	
CN(C)c1ccc(CN2C[C@H]3C[C@@]3(CO)C2)cc1F	783735991	UWLHGVOXTSRIAR-DOMZBBRYSA-N	264.344	1.706	10	20	CDCD	
COC[C@H](C)OC(=O)/C=C\c1ccc(O)c(O)c1	784286786	NMYUXLMUXOCWIE-RNEXMXFGSA-N	252.266	1.689	10	20	CDCD	
O=C(OCC(=O)c1ccc(O)c(O)c1)C1=CCCC1	784151788	KBYVNHSYDQTTRO-UHFFFAOYSA-N	262.261	1.934	10	20	CDCD	
Cc1ccc(C(=O)Nc2nnc3ccccn23)c(O)c1O	780903576	ULFGADUBYSLOMU-UHFFFAOYSA-N	284.275	1.701	10	20	CDCD	
COC(=O)[C@@H]1CCN(Cc2cc(OC)ccc2O)[C@@H]1C	787421161	OBLBCNGZOHIZPP-ZWNOBZJWSA-N	279.336	1.784	10	20	CDCD	
COc1cc(C)cc(CN2C[C@H](CO)OC[C@@H]2C)c1O	894092735	AINYHHWOVOHMLZ-WCQYABFASA-N	281.352	1.291	10	20	CDCD	
CNC(=O)CCCC(=O)N[C@@H](C)c1cc(OC)ccc1O	780934781	BFCQMCCUSZTKIE-JTQLQIEISA-N	294.351	1.494	10	20	CDCD	
C[C@@H](N)C[C@@H](C)NC(=O)N[C@H](C)c1ccccc1O	892199309	MCNNFESQXSANSE-GMTAPVOTSA-N	265.357	1.878	10	20	CDCD	
C[C@H](N[C@H](C)c1ccc(N(C)C)cc1)c1nnnn1C	786785596	PACKCUCZPDTVME-MNOVXSKESA-N	274.372	1.688	10	20	CDCD	
O=C(COC(=O)C1CC=CC1)c1ccc(O)c(O)c1	783787559	ZVUCRHJZZXUCGE-UHFFFAOYSA-N	262.261	1.790	10	20	CDCD	
COc1cc(O)c(CN2C[C@H]3[C@@H](O)CC[C@H]3C2)cc1OC	895781082	AQTDQYFKQBEXJX-UHTWSYAYSA-N	293.363	1.612	10	20	CDCD	
C[C@H](NC[C@@]1(O)CCN(C)C1)c1ccccc1O	702572715	IKZNFFOATRQMCV-FZMZJTMJSA-N	250.342	1.109	10	20	CDCD	
C[C@@H](CC(N)=O)NCc1c(O)ccc(Cl)c1F	790977680	NZSAPHMMPVOJFI-LURJTMIESA-N	260.696	1.538	10	20	CDCD	
COc1ccc(O)c([C@H](C)N[C@@H]2CCCS(=O)(=O)C2)c1	69141378	SDZDVCFVEXZGSS-WDEREUQCSA-N	299.392	1.629	10	20	CDCD	
C[C@@H](C(=O)NCc1ccc(N(C)C)c(F)c1)n1ccnc1	1320794746	WHRUEIWVDLLDDY-NSHDSACASA-N	290.342	1.966	10	20	CDCD	
CC[C@@]1(C)CN(C(=O)NCc2ccc(N)cc2)CCO1	1336291083	YVRAODDZNMKFIC-HNNXBMFYSA-N	277.368	1.979	10	20	CDCD	
CCOCCOCCN(C)Cc1ccc(N)cc1	1335289994	QWJFMDIZEXGUHM-UHFFFAOYSA-N	252.358	1.754	10	20	CDCD	
C[C@@H](CNC(=O)NCc1ccc(N)cc1)N(C)C1CC1	1335413549	QIGCNKXGBFBFNS-NSHDSACASA-N	276.384	1.551	10	20	CDCD	
COc1cccc(CN2C[C@H]3[C@@H](C2)[C@@H]3C(=O)O)c1O	1599674837	VNYYRCLZFPXFQL-IAZYJMLFSA-N	263.293	1.163	10	20	CDCD	
COc1cccc(O)c1CN1CC[C@H](C(=O)O)[C@H]1C	1599680292	KAGDXFIIROBCDT-ZJUUUORDSA-N	265.309	1.696	10	20	CDCD	
CCOC(=O)[C@H]1CSCCN1Cc1ccc(N)cc1	1356082872	GPAGYIBJBPZCAQ-CYBMUJFWSA-N	280.393	1.749	10	20	CDCD	
O=C1NC[C@@H](CSc2ncc(C(=O)O)s2)O1	1602658910	OJQYTDDROUMDBB-BYPYZUCNSA-N	260.296	1.042	10	20	CDCD	
COc1cc(CN(C)c2ccc(OCC(=O)O)cc2)on1	1607156594	HZNBCFUSHHFIOZ-UHFFFAOYSA-N	292.291	1.783	10	20	CDCD	
C[C@H](NCCNC1CC1)c1cc(C(=O)O)ccc1O	1604341515	GGIBAYWJXPMEDY-VIFPVBQESA-N	264.325	1.493	10	20	CDCD	
COCC1CN(c2ccc(/C=C/C(=O)O)cc2[N+](=O)[O-])C1	1606848559	SFCKVGRVESALLD-HWKANZROSA-N	292.291	1.775	10	20	CDCD	
CCOc1cccc(CN2CCC[C@H](O)[C@H]2C(=O)O)c1O	1610044678	HKOMVASQVKHBFN-AAEUAGOBSA-N	295.335	1.201	10	20	CDCD	
COc1cc(O)c(CN2CCC[C@H](N(C)C)C2)cc1OC	160245164	WKVRYCQWDUFAFO-ZDUSSCGKSA-N	294.395	1.935	10	20	CDCD	
CC(=O)NCCCNCc1ccc2c(c1)CCCO2	921502519	OPWUFFNAQORLFA-UHFFFAOYSA-N	262.353	1.627	10	20	CDCD	
CO[C@@H](C)c1noc(CN(C)c2ccc(N)cc2)n1	863558455	JJTKTYOBYRTKCS-VIFPVBQESA-N	262.313	1.996	10	20	CDCD	
CN1[C@H]2CC[C@H]1CN(C(=O)Cc1ccc(N)cc1)CC2	252635465	FYRNGGNUIKTXPO-GJZGRUSLSA-N	273.380	1.506	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)c2cncnc2C)c1	104901060	OROTXJORBZIZBI-JTQLQIEISA-N	287.319	1.990	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@H]2CCCOC2)cc1	170788397	ZARXVNGFABVTDZ-CYBMUJFWSA-N	262.353	1.795	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2cn(C)cn2)cc1F	178225229	KRPCMGXDIHWCNB-UHFFFAOYSA-N	276.315	1.555	10	20	CDCD	
COc1cc(Cl)cc(CN(C)C2CNC2)c1O	229104188	PPKBXYYGWDTUQU-UHFFFAOYSA-N	256.733	1.458	10	20	CDCD	
C[C@@H](CNC(=O)c1cccc(O)c1O)Cn1cccn1	186951717	ZHAWLIOVHLGYIT-JTQLQIEISA-N	275.308	1.360	10	20	CDCD	
Cc1cc(O)c(CN2C[C@@H](C)O[C@@H](C(N)=O)C2)cc1C	120249779	PKRGHGZXXJAHJW-BXUZGUMPSA-N	278.352	1.084	10	20	CDCD	
CC(C)[C@@H](N)C(=O)N(C)Cc1ccc(N(C)C)cc1	37801152	GRALFOZJMNNENB-CQSZACIVSA-N	263.385	1.694	10	20	CDCD	
COc1ccc(N2CCN(CC(=O)N(C)C)CC2)cc1F	122000724	GEFDVHHBLOZUON-UHFFFAOYSA-N	295.358	1.045	10	20	CDCD	
O=C(NC[C@@H](O)c1cccc(F)c1)c1cccc(O)c1O	187025425	BFUIKSUEHBKQOQ-CYBMUJFWSA-N	291.278	1.700	10	20	CDCD	
COc1ccc(N2CCN(C(=O)NC3CC3)CC2)cc1F	84732706	XPMGCZIZRYBOFB-UHFFFAOYSA-N	293.342	1.828	10	20	CDCD	
Oc1cccc(Cl)c1CNCC1(O)CCOCC1	83552384	PSOTXCXXFYSHMT-UHFFFAOYSA-N	271.744	1.677	10	20	CDCD	
C[C@H](OC[C@H]1CCCO1)C(=O)NCCc1ccc(N)cc1	237581329	UTGVHFZGMDHODW-SWLSCSKDSA-N	292.379	1.512	10	20	CDCD	
OCC[C@]1(NCc2cccc(Cl)c2O)CCOC1	278142702	ABESJLRFWKIDNB-ZDUSSCGKSA-N	271.744	1.677	10	20	CDCD	
CCOC(=O)[C@@H](NC(=O)c1cccc(O)c1O)[C@H](C)CC	279361973	SUOVJPCQXYYWPI-SKDRFNHKSA-N	295.335	1.805	10	20	CDCD	
O=C1CCCN1[C@H]1CCN(Cc2ccccc2O)C1	276829277	QVHMVBLNVFYXMG-ZDUSSCGKSA-N	260.337	1.589	10	20	CDCD	
CN(C)c1ccc(CN2[C@@H](CO)CC[C@@H]2CO)cc1	287513037	UPXBMWGLJPXNPM-HUUCEWRRSA-N	264.369	1.070	10	20	CDCD	
Cc1c(CC(=O)N(C)Cc2ccccc2O)cnn1C	293404941	OJKWEZFXERGIHA-UHFFFAOYSA-N	273.336	1.635	10	20	CDCD	
C[C@H]1CN(C)CC[C@H]1N(C)Cc1cc2c(cc1O)OCO2	809765902	RPKJHEGOPVDXJP-WCQYABFASA-N	292.379	1.893	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)NC[C@@H]2CCCN2)c1	817952619	RWIMDHOHGIXWFU-PWSUYJOCSA-N	278.352	1.581	10	20	CDCD	
CCS(=O)(=O)CCNCCCSc1nccs1	819064280	VWOIKBWGJXTWLV-UHFFFAOYSA-N	294.467	1.650	10	20	CDCD	
Cc1ccc([C@@H](C)NC[C@H]2CNCCCO2)c(O)c1	817981021	GCVNMVAFMUWHPA-CHWSQXEVSA-N	264.369	1.730	10	20	CDCD	
CO[C@H]1CCC[C@H](C(=O)NCc2ccc(O)c(O)c2)C1	815836334	ZIOWBTACILEAAK-RYUDHWBXSA-N	279.336	1.919	10	20	CDCD	
COc1cccc(O)c1CNC[C@@H]1CCOC[C@H]1OC	824709198	OOWTTXQAPQXADK-XHDPSFHLSA-N	281.352	1.542	10	20	CDCD	
C[C@@H](NC(=O)CN1CCSC1=O)c1ccccc1O	827923243	MOCGVBWXIJIOLV-SECBINFHSA-N	280.349	1.738	10	20	CDCD	
CCOc1ccc(CN[C@H]2C[C@@H](C(=O)OC)C2)c(O)c1	827500641	GGCSMRUWLPKHKQ-TXEJJXNPSA-N	279.336	1.832	10	20	CDCD	
CCN(CC)c1ccc(CN[C@@H](CN(C)C)C(=O)O)cc1	904059613	YATXZUFQDZDBIX-HNNXBMFYSA-N	293.411	1.637	10	20	CDCD	
Cc1nnc(NC(=O)/C=C\c2ccc(O)c(O)c2)s1	588403894	DEUFHZSVDUCETA-HYXAFXHYSA-N	277.305	1.910	10	20	CDCD	
Nc1ccc(CNC(=O)CCC(=O)NC2CCCC2)cc1	837302989	PEAMYSIQLADKNW-UHFFFAOYSA-N	289.379	1.724	10	20	CDCD	
COC(=O)N1CCC(NCCc2ccc(N)cc2)CC1	841038671	NMHQXIJDDOICCG-UHFFFAOYSA-N	277.368	1.632	10	20	CDCD	
COCCC1(C(=O)NCc2ccc(O)cc2O)CC1	910949634	MSIRWWXMGMPOGQ-UHFFFAOYSA-N	265.309	1.531	10	20	CDCD	
CN(CCN)C(=O)NCc1ccc(N2CCCC2)cc1	841709051	ACUFTLVYJRJQFI-UHFFFAOYSA-N	276.384	1.387	10	20	CDCD	
Oc1c(F)cccc1CN1CCN([C@@H]2CCNC2)CC1	843125179	ZROCDYXNFUVYIZ-CYBMUJFWSA-N	279.359	1.011	10	20	CDCD	
CNC(=O)NC(=O)[C@H](C)Sc1ncc(Cl)s1	849998726	RZFVPRILGQWQBC-BYPYZUCNSA-N	279.774	1.733	10	20	CDCD	
C[C@]1(CNC(=O)C(=O)Nc2ccc(N)cc2)CCCS1	841068906	KANYEPVDEQLUDR-CQSZACIVSA-N	293.392	1.609	10	20	CDCD	
COc1ccc(NC(=S)NCc2cccn2C)cn1	743061860	OGOUCFZQGIHUIK-UHFFFAOYSA-N	276.365	1.915	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCCNCC2)c1	846676999	MARMSTJWCYWFMW-NWDGAFQWSA-N	292.379	1.968	10	20	CDCD	
C[C@H]1CC[C@@H](C)N1CC(=O)NCCc1ccc(N)cc1	844164421	HTVRIAZBQIQVDD-BETUJISGSA-N	275.396	1.800	10	20	CDCD	
C[C@@H](NC(=O)NCc1ccc(N(C)C)cc1)C1(CO)CC1	853830313	SATOWURYEIAPQB-GFCCVEGCSA-N	291.395	1.713	10	20	CDCD	
Cc1nc(N)nc(C)c1C(=O)N(C)Cc1ccccc1O	857467270	XSBODQIBAPNMEK-UHFFFAOYSA-N	286.335	1.653	10	20	CDCD	
CN(C)c1ccc(CNC(=O)C[C@@H]2CCC(=O)N2C)cc1	854272073	XPDISBOBHCEQDX-AWEZNQCLSA-N	289.379	1.380	10	20	CDCD	
COc1cc(Cl)cc(CN[C@@H]2COC[C@H]2OC)c1O	843427512	GDPBOLZNXUHSDG-ZYHUDNBSSA-N	287.743	1.558	10	20	CDCD	
Cc1cc(O)c(CN(C)[C@]2(CO)CCOC2)cc1Cl	862428973	YRGODLCFOTUEAD-AWEZNQCLSA-N	285.771	1.937	10	20	CDCD	
Nc1ccc(CN2CCN([C@@H]3CCOC3)CC2)cc1	1345159480	HPEKORPOEXBLFF-OAHLLOKOSA-N	261.369	1.175	10	20	CDCD	
O=C(NCc1ccccc1O)N[C@H]1CCCc2c[nH]nc21	766913447	MFQXWRWCTZNWJE-LBPRGKRZSA-N	286.335	1.992	10	20	CDCD	
COc1ccc(N2CCC(NCC[S@](C)=O)CC2)cc1	766048690	BHGVUTLGXIXDNO-FQEVSTJZSA-N	296.436	1.632	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@@H]1CCCN(C(N)=O)C1	769282604	OEFWWNPVAFOAMA-GFCCVEGCSA-N	291.351	1.141	10	20	CDCD	
CN(C)CCCCC(=O)NCCc1ccc(O)c(O)c1	762260955	DCKXAFIIHSUYQG-UHFFFAOYSA-N	280.368	1.488	10	20	CDCD	
COC(=O)C[C@]1(NCc2cc(C)c(C)cc2O)CCOC1	766470309	SYTHLDLZWPMTCW-MRXNPFEDSA-N	293.363	1.821	10	20	CDCD	
C[C@H](NC(=O)c1cccc(=O)n1C)c1ccc(N(C)C)cc1	773009710	QBUOECPZUWZLRN-LBPRGKRZSA-N	299.374	1.942	10	20	CDCD	
Cc1cc(CN2CCC(CO)(CO)CC2)ccc1N(C)C	879971412	UGGPITDUGBRJDO-UHFFFAOYSA-N	292.423	1.628	10	20	CDCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2NCCN1CCNC1=O	1119376680	ZJDCJZBBBQWSRH-VXGBXAGGSA-N	289.379	1.864	10	20	CDCD	
C[C@H](NC(=O)[C@@H]1CC(=O)N(C)C1)c1ccc(N(C)C)cc1	773010281	NUIVRQQITNWRDK-WCQYABFASA-N	289.379	1.408	10	20	CDCD	
CN(C(=O)[C@]12CCC(=O)N1CCS2)c1ccc(N)cc1	877080917	RHWVYYRKIBXNKR-CQSZACIVSA-N	291.376	1.297	10	20	CDCD	
C[C@@H](NC(=O)[C@H]1CN(C)CCO1)c1ccc(N(C)C)cc1	773020893	XWRGQWVWCGDWLA-IUODEOHRSA-N	291.395	1.260	10	20	CDCD	
C[C@H]1C(=O)CCCN1C(=O)/C=C/c1ccc(O)c(O)c1	885048627	VMMPMERALFBCHY-STUBTGCMSA-N	275.304	1.691	10	20	CDCD	
COc1cc(C)cc(CNCC(=O)NC(C)C)c1O	894141643	UVRWOXRAEOINAG-UHFFFAOYSA-N	266.341	1.323	10	20	CDCD	
C[C@H]1C[C@@H](NCc2nnn(C)n2)c2c(O)ccc(F)c21	787031563	OBDUHYWZTJIEHI-IONNQARKSA-N	277.303	1.393	10	20	CDCD	
CO[C@@H]1C[C@@H](NC(=O)c2ccc(C)c(O)c2O)C1(C)C	780963329	AIXRBLJPRZOAPC-GHMZBOCLSA-N	279.336	1.950	10	20	CDCD	
CCOc1cccc(CN2CCC[C@H]2C(=O)O)c1O	77253448	JMZQDDMOMZKCOB-NSHDSACASA-N	265.309	1.840	10	20	CDCD	
COCC1CN(Cc2ccc(N3CCOCC3)cc2)C1	895971637	MVYQAVLMEGKUKU-UHFFFAOYSA-N	276.380	1.601	10	20	CDCD	
CCN(CC)c1ccc(CNCC(=O)N(C)OC)cc1F	895041316	RCILOHRGYBBDIV-UHFFFAOYSA-N	297.374	1.781	10	20	CDCD	
COC[C@H](CO)N[C@H]1C[C@H](C)c2c(F)ccc(O)c21	794833460	DSCRKWDPZLRXQX-QXEWZRGKSA-N	269.316	1.677	10	20	CDCD	
CC[C@@H](C)N(C)CCNC(=O)c1cccc(O)c1O	187067592	PCNSHXFQKHPTLZ-SNVBAGLBSA-N	266.341	1.558	10	20	CDCD	
CCN(CC)C(=O)CNCc1cc(F)cc(F)c1O	708516987	MLQSBZWSCREAEN-UHFFFAOYSA-N	272.295	1.628	10	20	CDCD	
COc1ccc(O)c(CN2C[C@@H](C)S(=O)[C@H](C)C2)c1	792193632	ZUYIHIPKZNRSIV-GHMZBOCLSA-N	283.393	1.742	10	20	CDCD	
COc1ccc(CNC(=O)CN2CCCCC2=O)c(O)c1	794388662	ZDLMBOLUKUICGT-UHFFFAOYSA-N	292.335	1.030	10	20	CDCD	
CN(C)[C@H]1CCCN(Cc2cc3c(cc2O)OCO3)C1	96810799	SVBZNHSNKIAPKD-LBPRGKRZSA-N	278.352	1.647	10	20	CDCD	
O=C(Nc1c(Cl)ccc2nonc12)[C@@]1(F)CCOC1	1323484238	UKMAVJJSGGCMDK-LLVKDONJSA-N	285.662	1.943	10	20	CDCD	
CCCCNC(=O)CN[C@H](C)c1ccccc1O	1333055039	ZGDAQERIPNJENM-LLVKDONJSA-N	250.342	1.959	10	20	CDCD	
COC(=O)[C@H]1C[C@@H](C(=O)NCc2ccc(N(C)C)cc2)C1	1336438755	NKIBEHXOIOFPML-BETUJISGSA-N	290.363	1.568	10	20	CDCD	
Cc1ncncc1C(=O)NCc1ccc(O)c(O)c1	1341944768	JGRONRJYHXYDKH-UHFFFAOYSA-N	259.265	1.126	10	20	CDCD	
CO[C@@H]1CC[C@@H](NC(=O)NCc2ccc(N)cc2)C1	1262581107	ITNCMOYJXXXHMR-CHWSQXEVSA-N	263.341	1.636	10	20	CDCD	
CN(CC[C@H]1CCOC1=O)c1ccc(OCC(=O)O)cc1	1606112577	GPTIOIPLDNMYOX-NSHDSACASA-N	293.319	1.539	10	20	CDCD	
O=C(N[C@H](C(=O)O)c1ccc(O)cc1)c1cc(O)cs1	1601395660	OJINSEUZOXPGNP-NSHDSACASA-N	293.300	1.715	10	20	CDCD	
COC[C@@]1(C(=O)O)CCCN1Cc1ccc(C)cc1O	1606833662	NYEXXYCSKUCCQF-OAHLLOKOSA-N	279.336	1.766	10	20	CDCD	
O=C(O)[C@@H](CF)NCc1cc(Cl)c(F)cc1O	1601651362	UBQQZSREOBMJCC-MRVPVSSYSA-N	265.643	1.697	10	20	CDCD	
CC[C@@](COC)(NC(=O)c1ccc(C)c(O)c1O)C(=O)O	1609924799	QPIRRLQBYQCKQG-AWEZNQCLSA-N	297.307	1.016	10	20	CDCD	
O=C(O)C1CCN(C(=O)c2c(F)ccc(O)c2O)CC1	1610743886	KVIVQYNAQGLHCO-UHFFFAOYSA-N	283.255	1.174	10	20	CDCD	
COC[C@@H](NCc1cc(Cl)c(F)cc1O)C(=O)O	1610249486	DPMYZRFNRGNWAB-SECBINFHSA-N	277.679	1.374	10	20	CDCD	
O=C(O)C[C@@H]1CCCCN1C(=O)Cc1ccc(O)c(O)c1	1594984072	BHJBZVMTMSIZDZ-NSHDSACASA-N	293.319	1.496	10	20	CDCD	
CCO[C@H](C)C(=O)NCCc1ccc(O)c(O)c1	156596426	NQDOMXFFUIKGPN-SECBINFHSA-N	253.298	1.182	10	20	CDCD	
CCOc1cccc(CNCCCN(C)C)c1O	19958549	FOFIIZXNAMSJJW-UHFFFAOYSA-N	252.358	1.832	10	20	CDCD	
C[C@H](NCCS(=O)(=O)C1CC1)c1ccc(F)cc1O	840884830	SEVHXYFUCWDISS-VIFPVBQESA-N	287.356	1.759	10	20	CDCD	
CC[C@H](NC[C@@]1(O)CCO[C@H]1C)c1ccccc1O	278700571	HIVLFSLCHTXTNZ-WHOFXGATSA-N	265.353	1.973	10	20	CDCD	
CC(C)S(=O)(=O)CCNCc1ccc(N(C)C)cc1	289994390	CMLOVCOMZRXFBW-UHFFFAOYSA-N	284.425	1.665	10	20	CDCD	
COc1ccc(O)c(CNCCc2nnc(C)s2)c1	291005415	BHYFCLWWNGQSLT-UHFFFAOYSA-N	279.365	1.893	10	20	CDCD	
CN(C)c1ccc(CN[C@@H]2CCCS(=O)(=O)C2)cc1	69135532	DITLMUNHQLVVQO-CYBMUJFWSA-N	282.409	1.419	10	20	CDCD	
CN1C[C@H](NCc2ccc(N3CCCC3)cc2)CC1=O	380701212	NUFNPHHBXCSIJS-CQSZACIVSA-N	273.380	1.607	10	20	CDCD	
COc1ccc(O)c(CNC[C@H]2[C@H](C(=O)O)C2(F)F)c1	715299412	XRZJDHMCCSRAOO-GXSJLCMTSA-N	287.262	1.456	10	20	CDCD	
COc1cccc(O)c1CNC[C@@H](O)C(F)(F)F	790999213	CCRMSMMDILXUHK-SNVBAGLBSA-N	265.231	1.414	10	20	CDCD	
C[C@@H]1CN(C(=O)c2ccccc2S(C)(=O)=O)CCS1	171574001	OSHULVVKLLFIME-SNVBAGLBSA-N	299.417	1.668	10	20	CDCD	
Cc1cc(O)c(CN(C)CC(=O)NC2CC2)cc1C	111941920	PZAWBJKIONZWNL-UHFFFAOYSA-N	262.353	1.719	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NCc1nccs1	180936827	PEHZAPLBPGZPSG-DUXPYHPUSA-N	276.317	1.884	10	20	CDCD	
Nc1ccc(CC(=O)N2CCC[C@@H]2C(=O)NC2CC2)cc1	37806244	QYYTWVXAAYNOIZ-CQSZACIVSA-N	287.363	1.081	10	20	CDCD	
COc1cccc(O)c1CN(C)Cc1nccn1C	1325434544	FTWVEBANQLLIEC-UHFFFAOYSA-N	261.325	1.766	10	20	CDCD	
COc1ccc(O)c(CN[C@@H]2CCC[C@@H]2CO)c1	224886989	MTBZIMAJAXRFHT-ZWNOBZJWSA-N	251.326	1.651	10	20	CDCD	
CC(C)CN1CCN(Cc2cc3c(cc2O)OCO3)CC1	42912131	RZBHDNBOVZLPCN-UHFFFAOYSA-N	292.379	1.895	10	20	CDCD	
O=C(NN1Cc2ccccc2C1=O)c1cccc(O)c1O	193158596	HMMZVXANGJXQLD-UHFFFAOYSA-N	284.271	1.399	10	20	CDCD	
COCC1(C(=O)N(C)Cc2ccccc2O)CCNCC1	234628498	AKPBOUISJGYHND-UHFFFAOYSA-N	292.379	1.367	10	20	CDCD	
O=C(O)C1CCN(Cc2cc(F)ccc2O)CC1	236414592	ZFVPTNLVJIQHOF-UHFFFAOYSA-N	253.273	1.828	10	20	CDCD	
CC(=O)N(C)CC(=O)NCc1c(C)c2ccccc2n1C	348663486	UGDMIEDOVKEWLN-UHFFFAOYSA-N	287.363	1.581	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)c1noc2c1COCC2	527605561	QKVKXGGBRKELFM-UHFFFAOYSA-N	290.275	1.089	10	20	CDCD	
Oc1ccc(F)cc1CN1CCN([C@H]2CCC[C@@H]2O)CC1	361049749	DNSXRQXSIVLANF-HOCLYGCPSA-N	294.370	1.562	10	20	CDCD	
CC(=O)CSCC(=O)NCc1ccccc1O	279841457	LKHLZVVVVKGDEH-UHFFFAOYSA-N	253.323	1.331	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNc2cnn(C)c2)c1O	278854757	LHABFRATIKVWLF-UHFFFAOYSA-N	278.268	1.655	10	20	CDCD	
O=C1OCC[C@]12CCCN2Cc1cc2c(cc1O)OCO2	275147910	RBUZOCJCKSHJAD-OAHLLOKOSA-N	291.303	1.402	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H](C)CO[C@H]2CCOC2)c(O)c1O	272719848	HBYOQHCKZYUEFR-QWRGUYRKSA-N	295.335	1.330	10	20	CDCD	
Cc1ccc(O)c(CN2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)c1	373739383	XFYHGNGIIRHNGN-LNSITVRQSA-N	274.364	1.786	10	20	CDCD	
O=C1CN(Cc2cccc(Br)c2O)CCN1	160502219	WQFFUPLCLHYNMK-UHFFFAOYSA-N	285.141	1.087	10	20	CDCD	
CCOc1cccc(CNC[C@@H](CO)[C@@H]2CCOC2)c1O	280346587	RXVZSJPUMVPPRC-KGLIPLIRSA-N	295.379	1.526	10	20	CDCD	
Cc1cc(O)c(CN2CCN(C[C@@H](C)O)C[C@@H]2C)cc1C	284250559	FPLDKKFJOUEBHX-LSDHHAIUSA-N	292.423	1.896	10	20	CDCD	
COc1cccc(CNC(=O)[C@](C)(O)C2CC2)c1O	287381764	RBIIBNCUNGFKDJ-CQSZACIVSA-N	265.309	1.178	10	20	CDCD	
C[C@H]1C[C@@H](O)CCN1C(=O)NCc1ccc(N(C)C)cc1	291545714	AOLMIIZMUMGGLA-WFASDCNBSA-N	291.395	1.807	10	20	CDCD	
Cc1cc(C)c([C@@H](C)NCCN2C(=O)CNC2=O)c(O)c1	294122347	KVSDQCKTFVRRNT-LLVKDONJSA-N	291.351	1.211	10	20	CDCD	
C[C@@H](OC[C@H]1CCCCO1)C(=O)NCc1ccccc1O	299602305	VUIIUBQRUKWFLK-TZMCWYRMSA-N	293.363	1.983	10	20	CDCD	
CC(C)CN1CC(=O)N[C@@H]1c1cc2c(cc1O)OCO2	299212174	DRJYHAQBMJSDJU-AWEZNQCLSA-N	278.308	1.207	10	20	CDCD	
Cc1cc(O)ccc1NS(=O)(=O)CCOCC1CC1	818050505	VHILPDWFVPKUNT-UHFFFAOYSA-N	285.365	1.869	10	20	CDCD	
Cn1cc(/C=C2\SC(=S)NC2=O)c(C(F)F)n1	812239792	FKQQOIBSTOLCRW-DJWKRKHSSA-N	275.305	1.847	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)NCC1(CO)CCC1	588432244	RLXNKHMQOGTZKV-HYXAFXHYSA-N	277.320	1.390	10	20	CDCD	
C[C@@]1(C(=O)O)CCN(Cc2cccc(F)c2O)C1	833553335	BDBRXWKMMSZUQM-CYBMUJFWSA-N	253.273	1.828	10	20	CDCD	
Fc1cc(CN[C@H]2CCOC2)cc(F)c1N1CCOCC1	839146715	RWVHJCSSJJFKJP-LBPRGKRZSA-N	298.333	1.680	10	20	CDCD	
CCOCc1cc(CN[C@@H]2COC[C@@H]2OC)ccc1OC	839193803	VPJYUPWBETXXQP-ZBFHGGJFSA-N	295.379	1.735	10	20	CDCD	
COc1cccc(CN[C@@H](C(=O)O)c2ccnn2C)c1O	843040296	UESZOUBYNRAVET-GFCCVEGCSA-N	291.307	1.050	10	20	CDCD	
CN[C@H]1CCN(Cc2c(O)ccc(Cl)c2F)C1	843044516	FRMZNZAYCHAKIJ-QMMMGPOBSA-N	258.724	1.978	10	20	CDCD	
C[C@@H]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(N)cc1	841124867	WGPPTUHJBYMWKC-GHMZBOCLSA-N	275.352	1.760	10	20	CDCD	
COc1ccc(O)c(CN2CCC[C@H](CN)C2)c1	44527990	ADERXPHJZXENHQ-LLVKDONJSA-N	250.342	1.572	10	20	CDCD	
CN(C)c1ccc(CN2CC[C@H](O)[C@H](CO)C2)cc1F	840974694	FGFGZZGJFWSMFH-WFASDCNBSA-N	282.359	1.067	10	20	CDCD	
Cc1nn(C)cc1CNC[C@H](N)c1ccc(N(C)C)cc1	841046284	ZBUBQYOKDZFULP-INIZCTEOSA-N	287.411	1.584	10	20	CDCD	
C[C@@H](N)CNC(=O)NCc1ccc(N(C)C)c(F)c1	841761239	OEKSGCNGBNNXAR-SECBINFHSA-N	268.336	1.038	10	20	CDCD	
C[C@H]1CN[C@H](C)CN1C(=O)NCCc1ccc(N)cc1	841955448	CGISXNWXPZZNGF-NEPJUHHUSA-N	276.384	1.203	10	20	CDCD	
Nc1ccc(CCNC(=O)N2CC[C@]3(CCOC3)C2)cc1	841956661	ATJVWBJOOWEBPN-INIZCTEOSA-N	289.379	1.633	10	20	CDCD	
O=[N+]([O-])c1ccc(O)c(CN[C@H]2C[C@H](CO)C2)c1	923006426	CDLOKNBCVNWNNS-CZMCAQCFSA-N	252.270	1.161	10	20	CDCD	
Oc1cccc(Cl)c1CNCCN1CC[C@@H](O)C1	858298114	MYEAHKKPVVYOBD-SNVBAGLBSA-N	270.760	1.202	10	20	CDCD	
COc1ccc(O)c(CNC(=O)NC[C@H](C)OC)c1	853736724	LPEQDBAVVHOZGL-VIFPVBQESA-N	268.313	1.235	10	20	CDCD	
C[C@H](NCc1nc(O)cc(CN)n1)c1cc(F)ccc1O	854232090	LJFGJXNISQEYOA-QMMMGPOBSA-N	292.314	1.336	10	20	CDCD	
C[C@@H](NCCCn1cncn1)c1cc([N+](=O)[O-])ccc1O	756830567	RIXFNCDTKARGJE-SNVBAGLBSA-N	291.311	1.633	10	20	CDCD	
COc1cc(CN[C@H](CO)[C@@H](C)O)c(O)c(C(C)(C)C)c1	850324650	NJKBKMOQJHBRDL-QMTHXVAHSA-N	297.395	1.530	10	20	CDCD	
CO[C@H]1CN(Cc2ccc(N3CCOCC3)cc2)CCO1	931035461	NQJUSVRFTWKWKO-MRXNPFEDSA-N	292.379	1.328	10	20	CDCD	
Oc1ccccc1CNCc1cn(C[C@@H]2CCCO2)nn1	865441006	ADXAVPDGGUCLDR-AWEZNQCLSA-N	288.351	1.453	10	20	CDCD	
COC[C@]1(CO)CCN(Cc2ccc(C)cc2O)C1	877573347	ORCAEBRRTKFQLH-OAHLLOKOSA-N	265.353	1.531	10	20	CDCD	
C[C@H](NC(=O)C1(O)CCOCC1)c1ccc(N(C)C)cc1	775402372	DQOBMFQDJDSSIS-LBPRGKRZSA-N	292.379	1.471	10	20	CDCD	
COCC1(C(=O)NCc2ccc(O)c(O)c2)CC1	778917057	UDYBBCJLICMAMM-UHFFFAOYSA-N	251.282	1.141	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@@](C)(O)C1	776148397	DCJNFRRCTQIMRW-MRXNPFEDSA-N	291.395	1.727	10	20	CDCD	
CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1ccc(C)c(O)c1O	780998880	CFKOFXZMKPMTEA-KOLCDFICSA-N	292.335	1.051	10	20	CDCD	
CO[C@@H]1CCOC[C@H]1NCc1ccc(N(C)C)cc1C	897890512	QKAOOGAAVVWUKB-HZPDHXFCSA-N	278.396	1.955	10	20	CDCD	
O=C(NCCCOCC1CC1)c1cccc(O)c1O	186809572	WVALPUKDPAFNRE-UHFFFAOYSA-N	265.309	1.644	10	20	CDCD	
COc1cccc(O)c1CNCCN1CC[C@@H](C)C1	744449913	HZHRTKKKFCNYRY-GFCCVEGCSA-N	264.369	1.832	10	20	CDCD	
O=C(NCCF)NCCCSc1nccs1	798109275	KWJYCBSRFHSSKQ-UHFFFAOYSA-N	263.363	1.894	10	20	CDCD	
CON1CCC(NCc2ccc3c(c2)CCO3)CC1	692098436	WGNDGGBGRGHCCQ-UHFFFAOYSA-N	262.353	1.737	10	20	CDCD	
O=C(Cc1ccncc1)NCCc1ccc(O)c(O)c1	779675728	HIFOTKOLFUBDNJ-UHFFFAOYSA-N	272.304	1.394	10	20	CDCD	
CN(C)[C@@H](CNC(=O)/C=C\c1ccc(O)c(O)c1)C1CC1	1323566173	GGKWLQBEYMASSI-UKOWJOKBSA-N	290.363	1.567	10	20	CDCD	
NC(=O)C[C@H]1CCN(Cc2ccc(N3CCCC3)cc2)C1	1323759463	IVHFCERZJPDBJB-OAHLLOKOSA-N	287.407	1.984	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)C(=O)NCc1ccncc1	1325290332	JCWXBMUVMHQTQW-UHFFFAOYSA-N	299.330	1.062	10	20	CDCD	
CC(C)[C@@H]1CCN1C(=O)C(=O)N(C)Cc1ccccc1O	1261350921	KGSXRRFRNCXLGA-ZDUSSCGKSA-N	290.363	1.608	10	20	CDCD	
CC(C)[C@@H]1C[C@H]1NC(=O)C(=O)N(C)Cc1ccccc1O	1261416705	JKURAEVBJNWIHM-QWHCGFSZSA-N	290.363	1.511	10	20	CDCD	
Cc1cc(C(=O)N2CC([C@H](C)O)C2)c(C)n1-c1ccccn1	1263884003	WRCJJWNBOBYSBC-ZDUSSCGKSA-N	299.374	1.942	10	20	CDCD	
CCOC(=O)N[C@@H]1CCCN(Cc2ccc(N)cc2)C1	1345159072	AGMJMMXVWSHNCZ-CQSZACIVSA-N	277.368	1.979	10	20	CDCD	
C[C@H](N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)c1cc(C(=O)O)ccc1O	1604357538	LIIKKZCJGZBRIP-LXWXXRIVSA-N	289.331	1.917	10	20	CDCD	
C[C@H]1CN(Cc2ccc(N(C)C)cc2)C[C@@H](C(=O)O)O1	1599929492	XOFHHPAZYMHKIU-FZMZJTMJSA-N	278.352	1.427	10	20	CDCD	
CC[C@H](CNCc1cc([N+](=O)[O-])ccc1O)C(=O)O	1776714921	MIFDQBBTNMLOKW-MRVPVSSYSA-N	268.269	1.501	10	20	CDCD	
CN(C)c1ccc2c(c1)CN(C[C@@](C)(O)C(=O)O)CCC2	1777041195	JILAGBQNDPIKJC-MRXNPFEDSA-N	292.379	1.336	10	20	CDCD	
C[C@@H](NCCOCCO)c1ccc(N2CCOCC2)cc1	159089007	AUYNLSNMKPDZTE-CQSZACIVSA-N	294.395	1.183	10	20	CDCD	
CN(C)c1ccc(CNC[C@@H]2CCCNC2=O)cc1	839195443	JLIFCWIFBOWCGV-ZDUSSCGKSA-N	261.369	1.368	10	20	CDCD	
C[C@H](NCc1ccc2c(c1)CCCO2)c1ncnn1C	922045875	JSTBQIFMGIKMDO-NSHDSACASA-N	272.352	1.991	10	20	CDCD	
CN(Cc1ccccn1)C(=O)Cc1ccc(N)cc1	36777059	CJBFGOHJNGZPDM-UHFFFAOYSA-N	255.321	1.865	10	20	CDCD	
C[C@@H]1OCCN(Cc2cc3c(cc2O)OCO3)[C@@H]1C	164090324	BYYZWCBDPZVUMB-ZJUUUORDSA-N	265.309	1.730	10	20	CDCD	
C[C@@H]1CCN(C(=O)Nc2ccc(N)cc2)C[C@H]1CO	700379794	XIBWPFOVXILDJH-MNOVXSKESA-N	263.341	1.751	10	20	CDCD	
CC(C)[C@H]1CN(C(=O)Cc2ccc(O)c(O)c2)CCN1	1301115256	FKFSLBYUFAAXEZ-GFCCVEGCSA-N	278.352	1.097	10	20	CDCD	
COc1cccc(CNCCC[S@](C)=O)c1O	116919195	NNOUUXYZRPOHPJ-QGZVFWFLSA-N	257.355	1.259	10	20	CDCD	
Cc1ccc(C(=O)NCCC(=O)NC(C)C)c(O)c1O	179432928	YODBSQYOAHDKIQ-UHFFFAOYSA-N	280.324	1.051	10	20	CDCD	
NC1=Nc2nc3ccccc3n2[C@@H](c2cc(F)ccc2O)N1	77472088	UGBHWQIHUWXUAQ-ZDUSSCGKSA-N	297.293	1.977	10	20	CDCD	
COc1cccc(CN2C[C@@H](C)N[C@H](C)C2)c1O	70075098	ITTXLYKMEHBXKF-GHMZBOCLSA-N	250.342	1.583	10	20	CDCD	
C[C@H]1[C@@H](C)OCCN1C(=O)/C=C/c1ccc(O)c(O)c1	181214211	HKLHXNTZQLGTJF-XDFYEUQUSA-N	277.320	1.747	10	20	CDCD	
CC(C)C(=O)NCCN(C)Cc1cc(F)ccc1O	180289959	RMMFZWKMZLKTBV-UHFFFAOYSA-N	268.332	1.735	10	20	CDCD	
C[C@H](N[C@H](C)CN1CCN(C)CC1)c1ccc(F)cc1O	185392065	IMOJVSFLALTSAO-OLZOCXBDSA-N	295.402	1.818	10	20	CDCD	
CN(C)C[C@@](C)(O)CNCc1c(O)cccc1Cl	131444164	PAHABKWAIUXAIW-ZDUSSCGKSA-N	272.776	1.448	10	20	CDCD	
Cc1ccc(O)c(CN2CCN(CC(C)(C)O)CC2)c1	130003341	VAZHZPUBIPSCPS-UHFFFAOYSA-N	278.396	1.589	10	20	CDCD	
CCC(=O)NCc1ccc(N2CCC(CO)CC2)cc1	48963475	HEDNMWGBXSDCTR-UHFFFAOYSA-N	276.380	1.922	10	20	CDCD	
CCCOc1ccc(CN(C)CCC(N)=O)c(O)c1	289596576	KPTSMEJZDYPVMF-UHFFFAOYSA-N	266.341	1.488	10	20	CDCD	
CC(C)[C@@H](C(=O)NCCc1ccc(N)cc1)N(C)C	236711071	JMANELFPCHATST-AWEZNQCLSA-N	263.385	1.514	10	20	CDCD	
CS(=O)(=O)C1(CN[C@@H]2CCc3cccc(O)c32)CC1	296450117	NFFYFUNHMJVXOZ-LLVKDONJSA-N	281.377	1.546	10	20	CDCD	
O=C(/C=C\c1cccnc1)N1CCOc2ncccc21	255778147	XQVVLUDVGBJKAK-WAYWQWQTSA-N	267.288	1.915	10	20	CDCD	
CCOc1ccc(O)c(CN[C@@H](C)c2ncn(C)n2)c1	275794325	JICUROWZUGQJLQ-JTQLQIEISA-N	276.340	1.770	10	20	CDCD	
COC(=O)N(C)CCCC(=O)NCc1ccc(O)c(O)c1	272402295	ZGUCRZMWDSCJBB-UHFFFAOYSA-N	296.323	1.192	10	20	CDCD	
COC(=O)C[C@@H]1COCCN1Cc1cccc(Cl)c1O	377834984	PUGIEAKBHIQMHU-LLVKDONJSA-N	299.754	1.810	10	20	CDCD	
COCC[C@H](CO)N[C@@H](C)c1cc(C)ccc1O	281702436	STTUCNDNAGZJOV-NWDGAFQWSA-N	253.342	1.749	10	20	CDCD	
CC[C@@H](NC[C@H](O)COC)c1ccc(F)cc1O	286036571	KIPDGGXJUWLPTO-CMPLNLGQSA-N	257.305	1.579	10	20	CDCD	
CCCOc1ccc(CN[C@H]2COC[C@@H]2OC)c(O)c1	289777277	KGQJWGCXJPYXGW-ZFWWWQNUSA-N	281.352	1.684	10	20	CDCD	
CCCOc1ccc(CN(C)CCOCCO)c(O)c1	282766529	PGUPYVQNYSLBNV-UHFFFAOYSA-N	283.368	1.622	10	20	CDCD	
CCCOc1ccc(CN[C@@H]2CCC(=O)N[C@H]2C)c(O)c1	282325747	LHKBBMCIQJTIJJ-SMDDNHRTSA-N	292.379	1.938	10	20	CDCD	
O=C(CN1CCSC1=O)NCc1ccccc1O	299467266	FDFOPOXCKZMKBH-UHFFFAOYSA-N	266.322	1.177	10	20	CDCD	
CCn1cc([C@H](C)NC(=O)c2c(F)ccc(O)c2O)cn1	298096140	BJWGAXWCLORFOG-QMMMGPOBSA-N	293.298	1.944	10	20	CDCD	
Cc1nonc1CNCc1ccc(N(C)C)c(F)c1	809744199	ABKDLSITCNORAX-UHFFFAOYSA-N	264.304	1.873	10	20	CDCD	
C[C@@H](NC(=O)N(C)CCC(N)=O)c1ccc(N(C)C)cc1	807141806	VZJHPKUQLOHDAP-LLVKDONJSA-N	292.383	1.330	10	20	CDCD	
C[C@@H](NC[C@@H](O)CN(C)C1CC1)c1ccc(N(C)C)cc1	809981039	XTQKXNWQHHJULL-CXAGYDPISA-N	291.439	1.858	10	20	CDCD	
Cc1ccc(O)c([C@H](C)NC[C@@H]2CNCCO2)c1	817983258	LGISCAKTCMCQPL-RYUDHWBXSA-N	250.342	1.340	10	20	CDCD	
COc1ccc(CNC(=O)CC2CCN(C)CC2)c(O)c1	813554992	WTZNXBNWBBXZLZ-UHFFFAOYSA-N	292.379	1.749	10	20	CDCD	
COc1ccc(CNC(=O)[C@@](C)(O)C2CCC2)c(O)c1	813555053	YBEHQQQVKCMSGE-HNNXBMFYSA-N	279.336	1.568	10	20	CDCD	
C[C@@H]1C[C@H](NC(=O)NCc2ccc(N(C)C)c(F)c2)CO1	826020045	ORFNMYWJYRFYHS-PWSUYJOCSA-N	295.358	1.868	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)c2cnc(N)cn2)cc1	827341251	YVBUVQMZCXDZTF-UHFFFAOYSA-N	299.378	1.835	10	20	CDCD	
O=C1N=C(N2CCOCC2)S/C1=C\c1cccc(F)n1	901443222	MSBSLOBAAFASOP-NTMALXAHSA-N	293.323	1.523	10	20	CDCD	
CON(CC1CCOCC1)C(=O)c1c(F)ccc(O)c1O	831430063	BVHVPLZAPYJZMU-UHFFFAOYSA-N	299.298	1.667	10	20	CDCD	
CN(C)[C@@H]1CCC[C@H]1NC(=O)/C=C\c1ccc(O)c(O)c1	832495873	ITBCLFAORLIPMU-JKOXKOMZSA-N	290.363	1.710	10	20	CDCD	
CC(C)[C@H](CO)ONC(=O)/C=C\c1ccc(O)c(O)c1	836892630	ROOYQSXIWLZTDU-AGLBCWCQSA-N	281.308	1.176	10	20	CDCD	
COc1ccc(O)c(CNC(=O)CC(C)(C)CC(=O)O)c1	833733550	KCNPARQJICEYIQ-UHFFFAOYSA-N	295.335	1.908	10	20	CDCD	
CCc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1O	848875619	BVUJAWWOPJSPCS-CYBMUJFWSA-N	262.353	1.652	10	20	CDCD	
CCNCC(=O)NCc1ccc(N(CC)CC)c(F)c1	844183399	YYOPCSJNDJEFNA-UHFFFAOYSA-N	281.375	1.898	10	20	CDCD	
C[C@H](N)CNC(=O)N(C)Cc1ccc(N(C)C)cc1	841986526	UAVRONOWVTXRMV-NSHDSACASA-N	264.373	1.241	10	20	CDCD	
CCOC[C@H](O)CNCc1ccc(N(C)C)cc1C	840933075	FCFBKHRCRNBOHS-OAHLLOKOSA-N	266.385	1.548	10	20	CDCD	
C[C@H](NC(=O)NCCNC1CC1)c1ccc(N(C)C)cc1	841882886	OWBMSHXCPLLPNI-LBPRGKRZSA-N	290.411	1.865	10	20	CDCD	
CCc1cccc(CN[C@@H](C(N)=O)c2ccccn2)c1O	848914422	MCEDOBXFXYOVQT-CQSZACIVSA-N	285.347	1.666	10	20	CDCD	
COc1cccc([C@@H](C)NCCC(=O)N(C)C)c1O	846143343	ZOWODVCTQIDTHK-SNVBAGLBSA-N	266.341	1.530	10	20	CDCD	
C[C@H]1SCC[C@H]1NC(=O)C(=O)Nc1ccc(N)cc1	843053564	CHDNCHNOYPHYBZ-LDYMZIIASA-N	279.365	1.218	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)CNC(=O)N2CCCC2)c1	913000818	WHJXUEVWGIVVGD-UHFFFAOYSA-N	291.351	1.122	10	20	CDCD	
CC(=O)c1cc(Cl)cc(CN2CCO[C@@H](CN)C2)c1O	843367734	JBBWZSLCJCAZSX-LBPRGKRZSA-N	298.770	1.408	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CCN[C@@H](C)[C@H]2C)c1O	843378044	YGVLLOKNUTYAEP-VHSXEESVSA-N	280.343	1.916	10	20	CDCD	
COc1ccc(O)c(CN[C@H]2CCN[C@@H](C)C2)c1	841061001	DCBZUXOBTNQBDY-JQWIXIFHSA-N	250.342	1.631	10	20	CDCD	
CC[C@H](CO)N1CCN(c2ccc(OC)c(F)c2)CC1	929820374	CVLUVJIVEMBPIE-GFCCVEGCSA-N	282.359	1.727	10	20	CDCD	
Cn1ncc(C2CC2)c1C(=O)NCc1ccc(N)cc1	850711697	QTZJADUYYURTRG-UHFFFAOYSA-N	270.336	1.810	10	20	CDCD	
CC(=O)N1CC[C@@H](N[C@H](C)c2cc(C)ccc2O)C1	857084645	ZUEYYECLHLGGHU-DGCLKSJQSA-N	262.353	1.972	10	20	CDCD	
COc1cc(C(=O)NCc2cc(Cl)ccc2O)on1	857548735	UHJLQJWVNKNEHJ-UHFFFAOYSA-N	282.683	1.972	10	20	CDCD	
Cn1cc(/C=C\C(=O)N2CCc3cc([N+](=O)[O-])ccc32)cn1	758718357	MIQKPMQQYDTRLN-DJWKRKHSSA-N	298.302	1.931	10	20	CDCD	
CNC(=O)OC[C@H]1CCCCN1C(=O)c1cc(O)cs1	854476452	IRONIWRZRWXBOA-SECBINFHSA-N	298.364	1.804	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NC2CCOCC2)c1	858153010	GABDFDUYFSIPAO-UHFFFAOYSA-N	264.325	1.679	10	20	CDCD	
CO[C@@H]1COC[C@@H]1NCc1cc(F)c(N(C)C)cc1F	858176920	DLPPBTBVNBIFMV-GXTWGEPZSA-N	286.322	1.534	10	20	CDCD	
CN1CCN(c2ccc(CNc3nncn3C)cc2)CC1	765944385	VJUGQWWTYLYIEL-UHFFFAOYSA-N	286.383	1.179	10	20	CDCD	
Cc1ccc(C(=O)N2C[C@H]3[C@H](N(C)C)[C@H]3C2)c(O)c1O	861910882	BVHQFGGBBYHCGA-GDNZZTSVSA-N	276.336	1.038	10	20	CDCD	
Cc1c[nH]cc1C(=O)NCCc1ccc(O)c(O)c1	762275463	QWDGTLOBQCLLPD-UHFFFAOYSA-N	260.293	1.707	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)Nc1nccn2cnnc12	762800230	OOJDAKTXWWOPPT-SECBINFHSA-N	285.307	1.579	10	20	CDCD	
Cc1ccc(CN2C[C@@H](CO)O[C@H](C)C2)c(O)c1	877466220	FGYKVQZFJSJWHD-YPMHNXCESA-N	251.326	1.282	10	20	CDCD	
CCOC(=O)[C@@H](C)NC(=O)/C=C/c1ccc(O)c(O)c1	779500205	QPGZONQANMASPK-VPIOIWJLSA-N	279.292	1.179	10	20	CDCD	
Cc1ccc(CN2CC[C@H](n3cncn3)C2)c(O)c1	877424960	UVGSQTXVZDWINL-ZDUSSCGKSA-N	258.325	1.739	10	20	CDCD	
CN1CCN(c2ccc(CNC[C@H](O)C3CC3)cc2)CC1	771840447	BDOJJJXICLNIEM-KRWDZBQOSA-N	289.423	1.299	10	20	CDCD	
COc1cc(O)c(CN2CCN(C)[C@H](C)[C@@H]2C)cc1OC	775986684	RYAPJMKSKNWKML-NEPJUHHUSA-N	294.395	1.934	10	20	CDCD	
C[C@H]1CCN(S(=O)(=O)N(C)Cc2ccccc2O)C1	778006082	OJSLZCSXVNCEBF-NSHDSACASA-N	284.381	1.411	10	20	CDCD	
Cc1cccc(CN2CCC3(CCNC3=O)CC2)c1O	877782487	BFOYYKYMAZMULR-UHFFFAOYSA-N	274.364	1.803	10	20	CDCD	
CN(C)c1ccc(CN(C)[C@@H]2CCNC2=O)cc1F	770381641	PFPSQNUNOOCSLU-CYBMUJFWSA-N	265.332	1.212	10	20	CDCD	
CC[C@H](COC)NC(=O)NCc1ccc(N)cc1	1120514250	QDSLOBZGUZQLMY-GFCCVEGCSA-N	251.330	1.493	10	20	CDCD	
COC(=O)N1CC(C)(NCc2cccc(C)c2O)C1	788830264	BVSWNKDIBSMWQR-UHFFFAOYSA-N	264.325	1.631	10	20	CDCD	
C[C@H](C(=O)N(C)Cc1ccccc1O)[C@@H](C)S(C)(=O)=O	788284194	ULUSUGJMVDOVHR-WDEREUQCSA-N	299.392	1.420	10	20	CDCD	
CC(C)CN1CCN(Cc2cc(F)cc(F)c2O)CC1=O	894497637	NYFKSVJTESDVGC-UHFFFAOYSA-N	298.333	1.971	10	20	CDCD	
COc1cc(C)cc(CN[C@@H](C)[C@H](CO)SC)c1O	894281347	OPNNZPDZCDSXCI-GWCFXTLKSA-N	285.409	1.911	10	20	CDCD	
CCOc1ccc(CN[C@@H](CO)CCOC)c(O)c1	798505720	UXLWRHFBGDEUHN-GFCCVEGCSA-N	269.341	1.278	10	20	CDCD	
CCOc1ccc(O)c(CN(CC)CCC(=O)NC)c1	897709654	IOSIZLJQDCVMBS-UHFFFAOYSA-N	280.368	1.749	10	20	CDCD	
CC[C@H](N[C@H](C)CC(N)=O)c1ccc(F)cc1O	796798202	OZAJLJJFHDXLMW-KCJUWKMLSA-N	254.305	1.836	10	20	CDCD	
COc1ccc(O)c(CNC(=O)CCc2cncn2C)c1	790070914	LMTUXKXCZOEKMY-UHFFFAOYSA-N	289.335	1.383	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)c1ccccn1	98074428	SFBXFKCFJZZXKS-UHFFFAOYSA-N	258.277	1.465	10	20	CDCD	
CC(C)n1ccc(CC(=O)NCc2cccc(O)c2O)n1	1350299783	IUUKMQRRILSMJR-UHFFFAOYSA-N	289.335	1.734	10	20	CDCD	
O=C(O)[C@H]1C[C@@H](O)CN1Cc1cc(Cl)cc(F)c1O	1601771081	CZFKAJSPTGWCRZ-PSASIEDQSA-N	289.690	1.205	10	20	CDCD	
O=C(O)[C@@H]1[C@H]2CN(Cc3c(O)cccc3Cl)C[C@H]21	1608816757	DPQICBNORXDIEZ-JDICNCQASA-N	267.712	1.808	10	20	CDCD	
CO[C@]1(C(=O)O)CCN(Cc2cc(C)cc(C)c2O)C1	1599078233	AUUFHCIXSLFETR-OAHLLOKOSA-N	279.336	1.685	10	20	CDCD	
CCN(C)c1ccc(CN[C@H](C(=O)O)[C@H](C)O)c(C)c1	1776856059	BWEGPQQYGGLVIE-FZMZJTMJSA-N	280.368	1.375	10	20	CDCD	
Nc1ccc(NC(=O)CCOC[C@H]2CCCO2)cc1	19278295	AUAAMPLYTXQWSH-CYBMUJFWSA-N	264.325	1.793	10	20	CDCD	
Cc1cc(C)c(O)c(CN2CCS(=O)(=O)CC2)c1	164288280	GFKYBSRUTRFUFA-UHFFFAOYSA-N	269.366	1.239	10	20	CDCD	
COC[C@H](C)S(=O)(=O)N(C)Cc1ccccc1O	159637334	ZBKMASZINILJHT-JTQLQIEISA-N	273.354	1.189	10	20	CDCD	
C[C@@H](CNCc1ccc2c(c1)CCO2)S(C)(=O)=O	697566535	FQDQPNPGVPMAET-JTQLQIEISA-N	269.366	1.144	10	20	CDCD	
Cc1cc(CNC(=O)c2cccc(O)c2O)n(C)n1	390745391	XDFNTDJCKQCCBD-UHFFFAOYSA-N	261.281	1.070	10	20	CDCD	
NC(=O)[C@H](NC(=O)Cc1ccc(N)cc1)c1ccccc1	108261621	VWPWVUKGQMBTOJ-OAHLLOKOSA-N	283.331	1.154	10	20	CDCD	
C[C@H](C(=O)NC[C@H]1CCCO1)N(C)Cc1ccccc1O	114721382	KDJDSLSKNUFGKK-TZMCWYRMSA-N	292.379	1.508	10	20	CDCD	
C[C@@H](NCCNC(=O)c1ccn[nH]1)c1cc(F)ccc1O	186511566	LSRRULVBWLPEGY-SECBINFHSA-N	292.314	1.335	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2cccc3nn[nH]c23)cc1	182680934	GENGQVRGXZDATF-UHFFFAOYSA-N	295.346	1.954	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCC[C@@H]1[C@@H]1CCC[C@@H]1O	126642184	FOGWUDOMMVDSJQ-UHTWSYAYSA-N	291.347	1.863	10	20	CDCD	
C[C@H](CCO)CNC(=O)NCc1ccc(N(C)C)c(F)c1	73915894	FCMLULDJVZRDTI-LLVKDONJSA-N	297.374	1.709	10	20	CDCD	
C[C@H](NCc1cc2c(cc1O)OCO2)C(=O)N1CCCC1	134589165	UZWPZKXLLDFXAQ-JTQLQIEISA-N	292.335	1.221	10	20	CDCD	
COc1cccc(CN(CCO)C2CCOCC2)c1O	275684526	AFGXFTYVZHZVNF-UHFFFAOYSA-N	281.352	1.374	10	20	CDCD	
COC(=O)C[C@H]1CN(Cc2cccc(OC)c2O)CCO1	271157652	BUNHZIDHNPJYGJ-LBPRGKRZSA-N	295.335	1.165	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CC1OCCCO1	276545679	FPGZDUWHHQFTJG-UHFFFAOYSA-N	292.379	1.864	10	20	CDCD	
Cc1cc(O)c(CN[C@@H]2CS(=O)(=O)C[C@@H]2C)cc1C	288717817	ZRKTZCJHDYYKPP-WCQYABFASA-N	283.393	1.532	10	20	CDCD	
O=C(CSC1CC1)NCCc1ccc(O)c(O)c1	295600555	YBLFTKYEBJFNFL-UHFFFAOYSA-N	267.350	1.652	10	20	CDCD	
Cc1cc(CN2CCN(CCO)CC2)ccc1N(C)C	293546619	QUBKBPBBCCQTLA-UHFFFAOYSA-N	277.412	1.171	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N(C1CC1)C1COC1	295826159	UMIWRNDLTFKVID-QHHAFSJGSA-N	275.304	1.501	10	20	CDCD	
Cc1cc(CN2CCS(=O)CC2)ccc1N(C)C	815046313	PVIMKQBAZXLPTF-UHFFFAOYSA-N	266.410	1.625	10	20	CDCD	
OCc1ccc(NCc2cc3c(cc2O)OCO3)nc1	811501406	KVJCCHWTMVFBIT-UHFFFAOYSA-N	274.276	1.620	10	20	CDCD	
O=C(O)CN(C(=O)/C=C\c1cnccn1)c1ccccc1	492206785	GNQVMPFUGPHUME-SREVYHEPSA-N	283.287	1.608	10	20	CDCD	
CC(=O)N1CCCC[C@@H]1C(=O)N[C@H](C)c1ccccc1O	827930442	KIJLDVJOGHRPSE-BXUZGUMPSA-N	290.363	1.970	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@@H](N)C1CCC1	829764566	OZMAYRQEICTSRR-HNNXBMFYSA-N	275.396	1.805	10	20	CDCD	
C[C@@H]1NCC[C@@H]1C(=O)NCc1c(O)ccc2c1CCCC2	830597636	RLYSRFBINJGCCK-AAEUAGOBSA-N	288.391	1.885	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N1C[C@@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1	836842542	YIQRFHIZHOTALT-IYVLAHIYSA-N	299.326	1.523	10	20	CDCD	
C[C@@H](O)C[C@H]1COCCN1C(=O)c1cc(O)cs1	832258598	DOLOJOISWQLQTQ-BDAKNGLRSA-N	271.338	1.066	10	20	CDCD	
COc1ccc(CNC(=O)NC[C@@H]2CC[C@@H](C)O2)c(O)c1	838743262	XCQBJNOBNIYSKD-MFKMUULPSA-N	294.351	1.768	10	20	CDCD	
CN1CCCN=C1NCCCSc1nccs1	849008257	AVXJOACZIVTBDH-UHFFFAOYSA-N	270.427	1.906	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@H]2C[C@H]3C[C@H]3N2)cc1F	844177979	WZEXIROXZRTNSL-RTXFEEFZSA-N	277.343	1.258	10	20	CDCD	
Cc1cc(CNC(CO)CO)ccc1N1CCCCC1	846942650	WFBPBVSBYHAUBH-UHFFFAOYSA-N	278.396	1.428	10	20	CDCD	
COc1cc(O)c(CNCC2(C)CCNCC2)cc1OC	841056884	JQVXCHFPRUAXDT-UHFFFAOYSA-N	294.395	1.889	10	20	CDCD	
O=C(O)CCC(=O)NCc1ccc(N2CCCC2)cc1	842570032	QNNZPPUCBLSOAO-UHFFFAOYSA-N	276.336	1.768	10	20	CDCD	
CN(C)c1ccc(CNC(=O)C2(C(=O)O)CC=CC2)cc1	849364570	MPBSMWSGACHFKE-UHFFFAOYSA-N	288.347	1.790	10	20	CDCD	
CNC(=O)NC1CCN(Cc2cccc(Cl)c2O)CC1	840974400	IYZTZEOXCBOPAD-UHFFFAOYSA-N	297.786	1.939	10	20	CDCD	
COCCN1C(=O)C2(CC2)N[C@@H]1c1cccc(OC)c1O	840838970	UWPJHWJQUIWFMR-ZDUSSCGKSA-N	292.335	1.010	10	20	CDCD	
COc1cc(O)c(CN2CCC[C@H](C)[C@H]2CN)cc1OC	843051765	LNFNBNGTZMRYDJ-WCQYABFASA-N	294.395	1.969	10	20	CDCD	
CCS(=O)(=O)C1CN(Cc2c(O)cccc2OC)C1	841885950	HZEOMQHLVAOXMS-UHFFFAOYSA-N	285.365	1.020	10	20	CDCD	
CCC(=O)N1CCC(NCc2ccc(OC)cc2O)CC1	742218375	GLGXTBTVVUFWKU-UHFFFAOYSA-N	292.379	1.891	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CSCCCO	840212201	KVWIJUHOEHDDKK-UHFFFAOYSA-N	296.436	1.827	10	20	CDCD	
Cc1ccc(C(=O)N[C@H]2COC[C@@H]2C)c(O)c1O	928902983	KGTWCYXDQFMROS-WPRPVWTQSA-N	251.282	1.171	10	20	CDCD	
COC[C@H]1C[C@@H](O)CN1Cc1cc(F)ccc1O	846053492	UUKTWHHKXZIBGK-VXGBXAGGSA-N	255.289	1.113	10	20	CDCD	
C[C@@H](OC(=O)c1cccc(O)c1O)C(=O)OC(C)(C)C	758581292	MCVLEQWKUSZGEP-MRVPVSSYSA-N	282.292	1.985	10	20	CDCD	
C[C@H]1COC[C@H]1NC(=O)N(C)Cc1ccc(N(C)C)cc1	925992503	RPHNUFUZCYSZRV-SWLSCSKDSA-N	291.395	1.929	10	20	CDCD	
CNC[C@H](C)NC(=O)NCc1ccc(N(C)C)cc1C	851656294	HZSBAJCRNNQVKG-LBPRGKRZSA-N	278.400	1.468	10	20	CDCD	
C[C@@H]1COC[C@@H]1NC(=O)/C=C\c1ccc(O)c(O)c1	928902512	IYPHIPMQOCOASF-PMEPJVLUSA-N	263.293	1.262	10	20	CDCD	
OC1CCN(c2ccc(CNCc3ncc[nH]3)cc2)CC1	850405793	FIJGAJOAVIDZRG-UHFFFAOYSA-N	286.379	1.661	10	20	CDCD	
C[C@@H](NC(=O)c1cc(O)cs1)c1nncn1C	765423426	AXPRYKKUTCLKCP-ZCFIWIBFSA-N	252.299	1.073	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCC1(O)CCC1	867302379	OSSPKTUVJHEUCB-NSHDSACASA-N	293.363	1.840	10	20	CDCD	
C[C@H](N[C@@H]1COC[C@@H]1O)c1ccc(Cl)cc1O	866420561	PNFUXXMTUGXDER-KOLSJAJHSA-N	257.717	1.456	10	20	CDCD	
Cc1ccc([C@H](C)NC[C@@]2(O)CCN(C)C2)c(O)c1C	762784851	ALRURKXCGZFVJB-BBRMVZONSA-N	278.396	1.726	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H](C)C[C@@H](C)O)c1O	775055078	PMNTXJKIEVSFPH-DTWKUNHWSA-N	284.312	1.558	10	20	CDCD	
CCOC(=O)[C@](C)(O)CN[C@@H](C)c1ccc(N(C)C)cc1	775835130	RVKLPMRJWGCSQQ-BLLLJJGKSA-N	294.395	1.717	10	20	CDCD	
Cc1ccc(CN2CCN(C3CCOCC3)CC2)c(O)c1	876760945	SUSACLNOEIPANW-UHFFFAOYSA-N	290.407	1.997	10	20	CDCD	
COCCNC(=O)N[C@H](C)c1ccc(N(C)C)cc1	774017559	PYRWGYCRZLSGBD-LLVKDONJSA-N	265.357	1.759	10	20	CDCD	
CCOCc1cn(Cc2cc(F)cc(C(C)=O)c2O)nn1	880996206	QRGPLQYHULFKOH-UHFFFAOYSA-N	293.298	1.910	10	20	CDCD	
COc1cccc(CN(C)CC(=O)NC(C)C)c1O	133385266	CXCKPQROPPSPFM-UHFFFAOYSA-N	266.341	1.357	10	20	CDCD	
C[C@H](NCc1nnnn1C1CC1)c1ccc(N(C)C)cc1	773029898	IDAIBLXOYSVWSB-NSHDSACASA-N	286.383	1.925	10	20	CDCD	
CN(C)CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	891251580	HBIJZVYLHXMCAL-HNNXBMFYSA-N	292.427	1.033	10	20	CDCD	
COC(=O)N(C)CCNCc1ccc(OC)c(OC)c1O	895403090	FAXPHWJSUGDKJR-UHFFFAOYSA-N	298.339	1.197	10	20	CDCD	
Cc1cccc(CN2CC[C@H](C3OCCO3)C2)c1O	896387750	UTGUPIGBAKHRNL-ZDUSSCGKSA-N	263.337	1.895	10	20	CDCD	
COc1ccc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(C)c1	899336612	WOPGUKNQGRDROG-UHFFFAOYSA-N	288.303	1.437	10	20	CDCD	
CN(Cc1ccn(C)n1)C(=O)Cc1ccc(N)cc1	723513128	PDLHXANQRDGEFG-UHFFFAOYSA-N	258.325	1.203	10	20	CDCD	
CN(CC(=O)O)Cc1c(O)cccc1Br	706674377	RLOFTRMFMMUAML-UHFFFAOYSA-N	274.114	1.671	10	20	CDCD	
Cc1cc(C)c(O)c(CN2CC[C@@H](CS(C)(=O)=O)C2)c1	793710333	RWBJNEWVGXJEMI-CYBMUJFWSA-N	297.420	1.876	10	20	CDCD	
COC(=O)CC1(COC(=O)c2ccc(C)c(O)c2O)CC1	799482211	QLOGUDWTSYSZBE-UHFFFAOYSA-N	294.303	1.906	10	20	CDCD	
CC[C@@H](C)N(C)CCNC(=O)NCc1ccc(N)cc1	1356619754	SSFKIKGVCVLPKO-GFCCVEGCSA-N	278.400	1.798	10	20	CDCD	
COCCCN(C)CCNC(=O)NCc1ccc(N)cc1	1357241935	LSXPEZLGVAFGKA-UHFFFAOYSA-N	294.399	1.036	10	20	CDCD	
C[C@H](NCCC[C@@H](C)O)c1cc(C(=O)O)ccc1O	1604383590	DDFRBUZPTBJWMW-ZJUUUORDSA-N	267.325	1.902	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)c1cccc(=O)[nH]1	227879898	BFIMAIRIMAWBMD-UHFFFAOYSA-N	258.277	1.353	10	20	CDCD	
C[C@@H](C(=O)O)C(=O)N(C)Cc1ccc(N(C)C)cc1	229335775	KVFBHEGUOLTUIJ-SNVBAGLBSA-N	264.325	1.432	10	20	CDCD	
COc1ccc(CNC[C@H](ON)C(C)C)c(O)c1OC	1579216392	RNPOZPDGICMSME-LBPRGKRZSA-N	284.356	1.414	10	20	CDCD	
C[C@@H]1OCC[C@@]1(C)NCc1cc2c(cc1O)OCO2	230153842	XXXHQIKWNHYHDA-LKFCYVNXSA-N	265.309	1.778	10	20	CDCD	
CCc1cccc(CNC[C@@]2(C(=O)O)CCOC2)c1O	1597587301	WOGQESUWLAEXTF-HNNXBMFYSA-N	279.336	1.536	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)[C@H]1CC[C@@H](C(=O)O)C1	1594763232	SYKWVNGQQHVORL-WDEREUQCSA-N	293.319	1.257	10	20	CDCD	
C[C@@H]1CN(C(=O)c2cc(O)cs2)CCN1CCC(=O)O	1594488479	DLFNTAVYZXQFIQ-SECBINFHSA-N	298.364	1.075	10	20	CDCD	
C[C@H](NC[C@H](C)N(C)C)c1cc(C(=O)O)ccc1O	1593239934	IMZIXUKQKXFULI-UWVGGRQHSA-N	266.341	1.691	10	20	CDCD	
CN(C)c1ccc(CNC[C@]2(C(=O)O)CC2(F)F)cc1	1777040207	CEVKXJPXPXFOCD-ZDUSSCGKSA-N	284.306	1.952	10	20	CDCD	
CCc1cccc(CNCCO[C@H]2CCOC2)c1O	897202397	SVNWGLRKDZYFBI-AWEZNQCLSA-N	265.353	1.850	10	20	CDCD	
COCCCN(CCOC)Cc1ccccc1O	133090394	RDLMDSWVMIPQMD-UHFFFAOYSA-N	253.342	1.877	10	20	CDCD	
CCCN(CC(=O)NC)Cc1cc(F)cc(C(C)=O)c1O	50151278	NOJAOCOCYFUUQJ-UHFFFAOYSA-N	296.342	1.692	10	20	CDCD	
CCOc1ccc(O)c(CN(C)CCC(=O)NC)c1	179412552	KEHXBWDDZUGQBY-UHFFFAOYSA-N	266.341	1.359	10	20	CDCD	
COc1cc(N2C[C@@H](C)C[C@@H](O)C2)c([N+](=O)[O-])cc1OC	401752005	ODHQZWZWVVKAJI-VHSXEESVSA-N	296.323	1.819	10	20	CDCD	
CCCOc1ccc(CNC[C@@]2(O)CCOC2)c(O)c1	179028413	IFVNAHBKJOBQHB-HNNXBMFYSA-N	281.352	1.422	10	20	CDCD	
CN1CCCc2cc(CNC(=O)CCn3cncn3)ccc21	123956214	UFWKVMFCFWIAHB-UHFFFAOYSA-N	299.378	1.367	10	20	CDCD	
O=C(NCc1ccc(N2CCC(O)CC2)cc1)[C@@H]1C[C@@H]1F	1347334635	OOGHFBATPKDGAQ-CABCVRRESA-N	292.354	1.622	10	20	CDCD	
COC[C@H]1CN(Cc2ccccc2O)C[C@H](C)O1	188343063	MZOUGFVIVGVQHL-WCQYABFASA-N	251.326	1.628	10	20	CDCD	
CC(C)NC(=O)CNCc1cc(Cl)ccc1O	36781618	HLMULWCPTVNFMM-UHFFFAOYSA-N	256.733	1.660	10	20	CDCD	
CNCCN(C)Cc1cc(F)cc(C(C)=O)c1O	70303474	SLXMKOXCIPBQAU-UHFFFAOYSA-N	254.305	1.385	10	20	CDCD	
CCOc1cccc(CN(C)CC(C)(C)O)c1O	93414529	NJVDBRLGIHXLGA-UHFFFAOYSA-N	253.342	1.994	10	20	CDCD	
Nc1ccc(CC(=O)NC[C@H]2CCCS2)cc1	149447919	GANSWLVLJCHABX-GFCCVEGCSA-N	250.367	1.823	10	20	CDCD	
COc1ccc(O)c(CNC[C@@H]2CN3CCC[C@H]3CO2)c1	252539957	CAPDFOSQWUAFLH-DZGCQCFKSA-N	292.379	1.354	10	20	CDCD	
CCCOc1ccc(CNC[C@]2(O)CCO[C@H]2C)c(O)c1	278575964	FEAJQRIOXLPWMG-BLLLJJGKSA-N	295.379	1.811	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)c(O)c1O	272770558	SBBXUZGCESPEIA-GXFFZTMASA-N	290.363	1.619	10	20	CDCD	
COc1ccc(CNC(=O)[C@](C)(O)C2CC2)c(O)c1	804645050	MNPJFDPIOSXDRN-CQSZACIVSA-N	265.309	1.178	10	20	CDCD	
CC(=O)C(=O)COc1nc(C)cc(C)c1[N+](=O)[O-]	808032023	RGIKCJBWIQWFCI-UHFFFAOYSA-N	252.226	1.144	10	20	CDCD	
Cc1nc2n(n1)C[C@@H](N[C@@H]1CCc3cccc(O)c31)CC2	297773034	PFNUWXVWUBWUCQ-QWHCGFSZSA-N	284.363	1.884	10	20	CDCD	
CCN(C[C@@H](C)OC)C(=O)/C=C/c1ccc(O)c(O)c1	292097995	DVSFTGZOMGGRKJ-LXSSAFMLSA-N	279.336	1.994	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)c1snnc1C1CC1	292348670	YBKMCYXFOQBVGF-UHFFFAOYSA-N	291.332	1.757	10	20	CDCD	
C[C@@H](O)CNCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	818967696	ZJLHGSWBBCEJJV-JHJVBQTASA-N	296.386	1.910	10	20	CDCD	
C[C@H](NC(=O)[C@@H]1C[C@@H]1N)c1ccc(N2CCOCC2)cc1	827725942	QOXAOWJAYPRSJL-GLQYFDAESA-N	289.379	1.048	10	20	CDCD	
O=C(O)C1CCN(Cc2cc3c(cc2O)OC[C@@H]3O)CC1	821511348	INMRYLLNXANCLW-ZDUSSCGKSA-N	293.319	1.115	10	20	CDCD	
COC(=O)[C@@H]1CCC[C@@H]1NCc1cccc(OC)c1O	824701879	DEDAASGHLSXUQY-NEPJUHHUSA-N	279.336	1.832	10	20	CDCD	
Oc1cc2c(cc1CN1C[C@@H]3[C@@H](C1)[C@H]1C=C[C@H]3O1)OCO2	824837189	FOXKYIUGVPOQFK-HBJVGIJOSA-N	287.315	1.506	10	20	CDCD	
COC(=O)N1CCC[C@@H](NC(=O)c2cc(O)cs2)C1	732283041	WCAVZMUYIKUPBI-MRVPVSSYSA-N	284.337	1.414	10	20	CDCD	
CCN(C(=O)/C=C/c1cn(C)cn1)c1cnn(C)c1	824353793	RYOLGBIMUPXNPY-AATRIKPKSA-N	259.313	1.220	10	20	CDCD	
CN(C(=O)COC(=O)c1cc(O)cs1)C1CC1	732353915	WTUOVAFTBRTGRQ-UHFFFAOYSA-N	255.295	1.231	10	20	CDCD	
CN(C)c1ccc([C@@H](N)CNC(=O)C[C@@H]2CCCO2)cc1	832278244	CDDZTOCQPSWTNH-GJZGRUSLSA-N	291.395	1.438	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCO[C@H](c2ncon2)C1	831988300	KWCWHBYPRFHKBN-QMMMGPOBSA-N	281.293	1.050	10	20	CDCD	
COc1cccc(CN(C)[C@H](COC(C)C)C(=O)O)c1O	833735595	QBHORDZRRXOONS-GFCCVEGCSA-N	297.351	1.711	10	20	CDCD	
Cc1ccn(CC(=O)NCCc2ccc(N)cc2)c(=O)c1	832659153	OKEVCLZDAVIFCG-UHFFFAOYSA-N	285.347	1.098	10	20	CDCD	
NCCCOC1CCN(C(=O)Cc2ccc(N)cc2)CC1	834299388	QCBVXFQRBVSKDC-UHFFFAOYSA-N	291.395	1.168	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H](C)CC(=O)O)c1	832424443	FAQMALQVJXGUIA-IUCAKERBSA-N	281.308	1.689	10	20	CDCD	
COc1cc2c(c(OC)c1)N(CC1(CO)COC1)CCC2	839656063	FEAXALMJDCNECM-UHFFFAOYSA-N	293.363	1.465	10	20	CDCD	
CC(=O)c1cc(F)cc(CN(C)CCCN)c1O	843351395	QTCHIZJZYGAERJ-UHFFFAOYSA-N	254.305	1.515	10	20	CDCD	
CC[C@H]1CC[C@@H](C)N1C(=O)C(=O)Nc1ccc(N)cc1	841113865	WIOJYMURGGNNHQ-MFKMUULPSA-N	275.352	1.997	10	20	CDCD	
Oc1ccc(Br)cc1CNC1CCNCC1	841026496	FCHSVSFPILZVFF-UHFFFAOYSA-N	285.185	1.996	10	20	CDCD	
COC(=O)CNC(=O)CSc1ncc(Cl)s1	849999313	YGHXVWDDSKNZOE-UHFFFAOYSA-N	280.758	1.178	10	20	CDCD	
COc1cc(O)c(CN(C)[C@@H](C)CCO)cc1OC	846109086	CUDIUAXGLMNZGF-JTQLQIEISA-N	269.341	1.612	10	20	CDCD	
CN(C)c1ccc([C@@H](N)CNCc2ccc(N)nc2)cc1	843125865	KAXBIZKDZVCHJG-HNNXBMFYSA-N	285.395	1.519	10	20	CDCD	
CC(C)(CO)CCCNC(=O)NCc1ccccc1O	745789191	HAPMUKQARXIKJY-UHFFFAOYSA-N	280.368	1.990	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)Cc2nonc2C)c1	845834112	QVAZVQHCQSXUOI-QMMMGPOBSA-N	291.307	1.512	10	20	CDCD	
C[C@H]1COC[C@H]1N1C(=O)CN(Cc2ccccc2O)C1=O	925212539	SRGZCZDXKAQFJW-CMPLNLGQSA-N	290.319	1.191	10	20	CDCD	
CNCCN(C)Cc1ccc(N2CCN(C)CC2)cc1	843057661	QIQMNOSZLNUIQP-UHFFFAOYSA-N	276.428	1.090	10	20	CDCD	
C[C@H]1CCCN(C(=O)C(=O)NCCc2ccc(N)cc2)C1	842237120	BCHMOIXTVYFSFH-LBPRGKRZSA-N	289.379	1.186	10	20	CDCD	
CCOc1ccc(CN[C@@H]2CCCN(CC)C2=O)c(O)c1	922641144	YDRLEXPWBUQLOK-CQSZACIVSA-N	292.379	1.891	10	20	CDCD	
COc1cccc([C@@H](C)NCCN2CC[C@H](O)C2)c1O	858601664	IDKNLCPWCLOYET-NEPJUHHUSA-N	280.368	1.118	10	20	CDCD	
COc1cc(CN[C@@H]2COC[C@H]2O)c(O)c(C(C)(C)C)c1	850316886	PDURVFWIKVBDDH-ZIAGYGMSSA-N	295.379	1.548	10	20	CDCD	
C[C@H](CCNC(=O)/C=C\c1ccc(O)c(O)c1)N(C)C	855415441	ICMLLSPWIKIZRL-JPVGGKMYSA-N	278.352	1.567	10	20	CDCD	
CC1=NO[C@@H](CNC(=O)/C=C\c2ccc(O)c(O)c2)C1	854801405	YOYHYBOLWKCISW-USEMIUTHSA-N	276.292	1.392	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2NCCC2(C)C)c1	852885122	NFWKYTCSNIMRHS-YGRLFVJLSA-N	292.379	1.966	10	20	CDCD	
CN(Cc1cc2c(cc1O)OC[C@@H]2O)[C@H]1CCSC1	768466317	YSXVPUUAGYEUKC-GWCFXTLKSA-N	281.377	1.755	10	20	CDCD	
COCC(=O)NC1CCN(Cc2cc(C)ccc2O)CC1	768885138	UFQGAOXNJFDKJS-UHFFFAOYSA-N	292.379	1.428	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)CNC(C)(C)C)c1	1118948089	XGLOCSXDLOGBML-UHFFFAOYSA-N	250.342	1.705	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2ccncn2)cc1F	777609401	ANGRNXZZMMMWKI-UHFFFAOYSA-N	274.299	1.612	10	20	CDCD	
Cc1ccc(CN[C@H]2CCCN(CCCO)C2)c(O)c1	877559134	RXCGJNCCRATYJF-HNNXBMFYSA-N	278.396	1.637	10	20	CDCD	
CN(CC(=O)NCc1ccc(O)c(O)c1)c1ccccc1	778922918	MHUARZSOESPFEM-UHFFFAOYSA-N	286.331	1.850	10	20	CDCD	
CN(Cc1cc(Cl)ccc1O)Cc1nncn1C	386338070	LCHSZQKXGAEQJM-UHFFFAOYSA-N	266.732	1.806	10	20	CDCD	
CC[C@@H](O)CN(C)c1cc(OC)c(OC)c(OC)c1	75767472	WBGQWEPDEWASKN-LLVKDONJSA-N	269.341	1.920	10	20	CDCD	
COC(=O)[C@H]1COCCN1Cc1cc(C)cc(OC)c1O	894021298	UMMUYLCGJQGEPK-GFCCVEGCSA-N	295.335	1.083	10	20	CDCD	
COc1cc(C)cc(CN2C[C@@H](C)O[C@@H](CO)C2)c1O	894539062	WZZMQDOWAVJWKE-DGCLKSJQSA-N	281.352	1.291	10	20	CDCD	
O=S(=O)(Nc1ccc(O)cc1F)N1CCCC1	85203914	GHYJQTMSJYONJA-UHFFFAOYSA-N	260.290	1.284	10	20	CDCD	
Oc1cccc(Br)c1CN[C@H]1COC[C@H]1O	706805278	XHFYGOHMBIUECW-GXSJLCMTSA-N	288.141	1.004	10	20	CDCD	
O=C(CC1OCCO1)NCCCSc1nccs1	793496511	GCZKQPDFXVYLQF-UHFFFAOYSA-N	288.394	1.505	10	20	CDCD	
COc1ccc(CNc2nccc(CO)n2)c(O)c1	795286051	YOHDXXCWYLTOPK-UHFFFAOYSA-N	261.281	1.295	10	20	CDCD	
CC[C@@H](NCc1ccc([N+](=O)[O-])c(OC)c1O)C(=O)O	1326992078	YZJXYAIPZGQBSS-MRVPVSSYSA-N	284.268	1.262	10	20	CDCD	
CC(C)[C@]1(CO)CCN(C(=O)c2c(F)ccc(O)c2O)C1	1324441871	YATNZTHJCZWIHC-OAHLLOKOSA-N	297.326	1.718	10	20	CDCD	
Cc1ccc(C(=O)OC[C@H]2CN(C)C(=O)O2)c(O)c1O	1261238142	RQZYXKRCYJVQPM-MRVPVSSYSA-N	281.264	1.014	10	20	CDCD	
COC(=O)C(=O)[C@H](C)Sc1ncc(C(=O)O)s1	1610149605	KFJJGBKTQATYRU-BYPYZUCNSA-N	275.307	1.064	10	20	CDCD	
CC(=O)C(=O)COC(=O)CCc1ccc(C(=O)O)cc1	1589021557	PADLKJUENIXLKS-UHFFFAOYSA-N	278.260	1.019	10	20	CDCD	
COC(CN(C)c1ccc(OCC(=O)O)cc1)OC	1599046710	LHCJKYIJTAPVAL-UHFFFAOYSA-N	269.297	1.205	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)[C@H](N)CCC(=O)O	1595891173	NJGCADMCFBHZHU-GFCCVEGCSA-N	294.351	1.323	10	20	CDCD	
CO[C@H]1CN(Cc2ccc(N(C)C)cc2)[C@](C)(C(=O)O)C1	1777172861	GWALMUZYXWAFBO-ZBFHGGJFSA-N	292.379	1.817	10	20	CDCD	
O=C(O)c1csc(S(=O)(=O)Nc2ccc(O)cc2)c1	13301152	WPSLRJWVBCAZSS-UHFFFAOYSA-N	299.329	1.953	10	20	CDCD	
C[C@@H](C[S@@](C)=O)NCc1c(O)cccc1Cl	164296412	IJFLQCAIDPEGMV-PWJLMRLQSA-N	261.774	1.902	10	20	CDCD	
COc1cccc(CNCC(C)(C)OCCO)c1O	288473157	PECQKZJTNZBWHJ-UHFFFAOYSA-N	269.341	1.278	10	20	CDCD	
COc1cccc(CN2C[C@H](C)S(=O)(=O)[C@H](C)C2)c1O	291026604	YCQOEBOLOLFYEL-PHIMTYICSA-N	299.392	1.408	10	20	CDCD	
Oc1c(F)cc(F)cc1CNC[C@H]1CC[C@H](O)C1	708548242	DDIKVUXGPULJKR-KWQFWETISA-N	257.280	1.921	10	20	CDCD	
C[C@@H]1C[C@@H](C(=O)O)CN(C(=O)Cc2ccc(N)cc2)C1	398710721	XAYGXYGRUFBWSE-ZYHUDNBSSA-N	276.336	1.381	10	20	CDCD	
COCCOCCOCCN(C)Cc1ccccc1O	276232598	SAOHWCSLLGBHNE-UHFFFAOYSA-N	283.368	1.504	10	20	CDCD	
Nc1ccc(CNC(=O)[C@@H]2CNCCC2(F)F)cc1	1346210331	PGTDOVLDMGBXAU-NSHDSACASA-N	269.295	1.130	10	20	CDCD	
COc1ccc(O)c(CN2CC(=O)N[C@H]3CCCC[C@@H]32)c1	179921836	NDDKEDOUWGCUTN-KBPBESRZSA-N	290.363	1.644	10	20	CDCD	
Cc1cc(NC(=O)NCCc2ccc(O)c(O)c2)nn1C	121612089	WTLPMCHWSRBLPY-UHFFFAOYSA-N	290.323	1.504	10	20	CDCD	
Oc1c(Br)cccc1CN1CC[C@@H](O)C1	128086683	DLCGFXLJUQUXDG-SECBINFHSA-N	272.142	1.721	10	20	CDCD	
Cn1cc(/C=C/C(=O)N2CCc3ccc(C(=O)O)cc32)cn1	317155827	RYAYCQJIGJLNJT-GORDUTHDSA-N	297.314	1.721	10	20	CDCD	
CN(C(=O)/C=C/c1cnn(C)c1)c1ncccc1F	131819325	RCFGELYEWZESFS-AATRIKPKSA-N	260.272	1.630	10	20	CDCD	
COc1cccc(CN[C@@H](C(=O)O)C(C)C)c1O	43429705	URYNQZYFVVCWIL-LLVKDONJSA-N	253.298	1.600	10	20	CDCD	
CC[C@@H](OC)C(=O)NCc1ccc(N(C)C)cc1	49446710	JNYRYYXTBZVUPH-CYBMUJFWSA-N	250.342	1.794	10	20	CDCD	
C[C@@H](NCc1ccccc1O)c1nnnn1C1CC1	191832020	PLNWFSXGOQKIQK-SECBINFHSA-N	259.313	1.564	10	20	CDCD	
CC(=O)N1CCC[C@H](CNCc2ccc3c(c2)CCO3)C1	279880709	UOJRUIUJNWOURE-OAHLLOKOSA-N	288.391	1.970	10	20	CDCD	
CCO[C@@H]1C[C@H](NC(=O)c2cccc(O)c2O)[C@@H]1OC	280400166	GYFDPQUMNORHQQ-NDMJEZRESA-N	281.308	1.020	10	20	CDCD	
CCOc1ccc(O)c(CN2CC[C@](C)(C(N)=O)C2)c1	280370598	VEZYMZMYGVTRNV-HNNXBMFYSA-N	278.352	1.488	10	20	CDCD	
CNCCc1ccccc1C(=O)N1CCn2nccc21	639034430	FPIHVHDYVHBOHM-UHFFFAOYSA-N	270.336	1.305	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)N[C@H]2CC[C@@H](CO)C2)c1	296286209	FEUHUUVOIQPODQ-WZRBSPASSA-N	293.363	1.990	10	20	CDCD	
Cc1nccn1CCCNC(=O)NCc1ccccc1O	299494793	KHNBRWAJRLRFME-UHFFFAOYSA-N	288.351	1.787	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc[n+]([O-])cc1	808094961	LUTRNYQIPYEQMN-UHFFFAOYSA-N	293.319	1.441	10	20	CDCD	
CN(Cc1c(O)ccc(Cl)c1F)Cc1nncn1C	809776936	BSXNAKZKEQVTMI-UHFFFAOYSA-N	284.722	1.945	10	20	CDCD	
C[C@H](NC[C@@H]1CNCCO1)c1cc(Cl)ccc1O	817982053	BFZTVXBQWXZLJL-ONGXEEELSA-N	270.760	1.685	10	20	CDCD	
NC(=O)[C@H]1CCN(Cc2ccc3ccccc3c2O)C1	816480732	VDBWQXQWYGUYAT-ZDUSSCGKSA-N	270.332	1.853	10	20	CDCD	
O=C(NCCCC1(O)CCC1)NCc1ccccc1O	817175138	NDKCWESWVRRXDS-UHFFFAOYSA-N	278.352	1.887	10	20	CDCD	
Oc1ccc(CCN=c2nn[nH]n2-c2ccccc2)cc1O	811811407	SMRGDBVKFUCADI-UHFFFAOYSA-N	297.318	1.150	10	20	CDCD	
CCOCc1cc(CN[C@@H](CC)C(=O)NC)ccc1OC	825315429	AGWXEEMYRXQQJW-AWEZNQCLSA-N	294.395	1.846	10	20	CDCD	
O=C(CN1CCCC1)NCc1c(O)ccc2c1CCCC2	821070747	MARJTJYDESUGPC-UHFFFAOYSA-N	288.391	1.983	10	20	CDCD	
O=C(O)[C@H]1CN(Cc2cc3c(cc2O)CCCC3)CCO1	821512261	GDIIWMOVHWUIQR-OAHLLOKOSA-N	291.347	1.556	10	20	CDCD	
Oc1cc2c(cc1CN1CCn3cccc3C1)[C@H](O)CO2	905745541	NUKPAAYTGVZHDG-OAHLLOKOSA-N	286.331	1.635	10	20	CDCD	
CO[C@H]1COCC[C@H]1CNC(=O)NCc1ccccc1O	836573892	KDAUECXPMFBQTC-JSGCOSHPSA-N	294.351	1.243	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)C[C@@H]2CCC(=O)N2)c1	830541040	RDJKPDFNIYVYIZ-UWVGGRQHSA-N	292.335	1.247	10	20	CDCD	
COC[C@@H](C)NC(=S)NCc1ccc(N(C)C)c(F)c1	746685087	LEHPNSVHBHGDNI-SNVBAGLBSA-N	299.415	1.891	10	20	CDCD	
O=C(NCc1ccccc1O)NC[C@@H]1CCCOC1	748458785	CEHHMTRPNFEQAO-NSHDSACASA-N	264.325	1.618	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N[C@H]2CCC[C@H](N)C2)cc1	841656059	VFJPYSKWQXGZPG-KBPBESRZSA-N	290.411	1.822	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN[C@H](C)C(=O)N(C)C	840936235	HEPQKLBFPZXKQL-GFCCVEGCSA-N	263.385	1.627	10	20	CDCD	
C[C@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)[C@H](C)CN1	841653927	KTBKPURTTPCXBV-QWHCGFSZSA-N	290.411	1.644	10	20	CDCD	
Nc1ccc(CCNC(=O)N[C@H]2CCCc3c[nH]nc32)cc1	841861651	LDVIRKREZPFTCV-AWEZNQCLSA-N	299.378	1.911	10	20	CDCD	
CCc1cccc(CN2CCC(CO)(OC)CC2)c1O	848907649	QWXPDQWBHVYLPV-UHFFFAOYSA-N	279.380	1.928	10	20	CDCD	
CN(C)c1ccc(CN2CCC[C@H](N)C2)cc1F	843043856	LUGJXAFCMMDEBQ-LBPRGKRZSA-N	251.349	1.815	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2C[C@H](CN)C[C@@H]2C)c1O	843362686	NPFXUSHNUFQARO-ONGXEEELSA-N	280.343	1.903	10	20	CDCD	
C[C@@H](NCc1ccc(N(C)C)cc1)c1cnn(C)n1	924573676	JOQWGMVMNLPWMO-LLVKDONJSA-N	259.357	1.732	10	20	CDCD	
Cc1nnc2n1C[C@H](C(=O)NCc1ccccc1O)CC2	750788237	MDYXQVQRBJFKBR-GFCCVEGCSA-N	286.335	1.171	10	20	CDCD	
CCN(Cc1nncn1C)c1ccc(OC)c(OC)c1	750521449	KQLFHCBYBPMASR-UHFFFAOYSA-N	276.340	1.859	10	20	CDCD	
Cc1ccc(C(=O)NC2([C@@H](C)O)CC2)c(O)c1O	856129255	SKJKCQKSXNVTGL-MRVPVSSYSA-N	251.282	1.049	10	20	CDCD	
CN(C)c1cc(F)c(CNCC2(CO)COC2)cc1F	858152768	CBCPOCXPNCCTPE-UHFFFAOYSA-N	286.322	1.129	10	20	CDCD	
COc1cccc([C@@H](C)NCCO[C@H]2CCOC2)c1O	927083281	KJYDYKRSTGBAHG-NEPJUHHUSA-N	281.352	1.857	10	20	CDCD	
O=C(N[C@H]1CCn2cncc2C1)c1cc(O)cs1	857943380	DPLPHTWOBGERBO-QMMMGPOBSA-N	263.322	1.395	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N[C@H]2C[C@H](O)C2)cc1	853244957	RRWFEBVPWFMKEM-AULYBMBSSA-N	263.341	1.075	10	20	CDCD	
O=C(NC[C@H](O)c1ccncc1)c1cc(O)cs1	750540385	ZEHMUJIWFXQMII-JTQLQIEISA-N	264.306	1.312	10	20	CDCD	
CCNC(=O)C1(CNC(=O)c2cc(O)cs2)CCC1	754445857	HHCQGWPDEBVKAT-UHFFFAOYSA-N	282.365	1.490	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)c1coc(C(N)=O)c1	759932238	PSJQIIQJZXRMEH-UHFFFAOYSA-N	274.276	1.356	10	20	CDCD	
C[C@H](C(=O)NCc1cc(Cl)ccc1O)[C@H]1CCC(=O)N1	862130247	DNSUCZAUXJNWJK-GZMMTYOYSA-N	296.754	1.577	10	20	CDCD	
CCO[C@H]1COCC[C@@H]1NCc1cc(OC)ccc1O	761223918	VCNKQELSMTUBLD-ZFWWWQNUSA-N	281.352	1.684	10	20	CDCD	
CCn1cc(CC(=O)NCc2cc(C)ccc2O)cn1	862757416	SYOODWFXMPGHSS-UHFFFAOYSA-N	273.336	1.776	10	20	CDCD	
COc1ccc(N(C)CCC2OCCO2)cc1OC	767776152	UEDGXFZGOFLLMM-UHFFFAOYSA-N	267.325	1.903	10	20	CDCD	
COc1cccc(CNC(=O)c2ccncn2)c1O	779000963	NGLDUOZXPFCPSE-UHFFFAOYSA-N	259.265	1.121	10	20	CDCD	
C[C@H](NC(=O)NCCN1CCC1)c1ccc(N(C)C)cc1	776249677	QQLCWKJYEMPKBM-ZDUSSCGKSA-N	290.411	1.819	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNCc2cccnc2)c1O	774943460	ULEIOMNWQAZEEZ-UHFFFAOYSA-N	289.291	1.994	10	20	CDCD	
CN(C)C[C@H]1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)C1	779522575	UVWDZBAVHYARLX-RYWCDNDXSA-N	290.363	1.521	10	20	CDCD	
O=C(C[C@H]1CCOC1)OCC(=O)c1ccc(O)c(O)c1	783763479	GYNGETJGNYPKIC-SECBINFHSA-N	280.276	1.250	10	20	CDCD	
COc1cc(C)cc(CN[C@@H]2CCCS(=O)(=O)C2)c1O	894288333	SBBCBCCZSGEVHI-GFCCVEGCSA-N	299.392	1.376	10	20	CDCD	
COc1cc(C)cc(CNC[C@H]2CCOC2)c1O	894173010	DIXIBZYLCCZBAY-LLVKDONJSA-N	251.326	1.835	10	20	CDCD	
C[C@H](NC(=O)N1C[C@H](N)C[C@@H]1C)c1ccc(N(C)C)cc1	891812328	AFSZIWVVWJVFQJ-SGMGOOAPSA-N	290.411	1.945	10	20	CDCD	
O=C(C[C@@H]1CCCOC1)OCC(=O)c1ccc(O)c(O)c1	795902144	MSRJILLXPYEWQK-JTQLQIEISA-N	294.303	1.640	10	20	CDCD	
Nc1ccc(CC(=O)N[C@H](Cc2ccccc2)C(=O)O)cc1	82700099	SWMQNXSFRJUNJG-OAHLLOKOSA-N	298.342	1.623	10	20	CDCD	
COc1ccc(CN[C@@H]2C(=O)NCC2(C)C)c(O)c1OC	895434464	VXMQSGRWMUGKMY-CYBMUJFWSA-N	294.351	1.024	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC[C@@]2(O)CCN(C)C2)c1	702575092	VWCYAEMCJLBLRY-NHYWBVRUSA-N	280.368	1.118	10	20	CDCD	
CC(=O)N1CCC[C@@H](CNC(=O)c2cccc(O)c2O)C1	794023486	SNGNNPHQXIOJEL-NSHDSACASA-N	292.335	1.086	10	20	CDCD	
COC(=O)CCCNC(=O)NCc1ccc(OC)cc1O	792790578	UOVCFFFISUPRII-UHFFFAOYSA-N	296.323	1.153	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CCCC(=O)N2)c1	799698404	VMEFAFGUIFLQDH-BXKDBHETSA-N	292.335	1.247	10	20	CDCD	
O=C(NCCC1=CCN(c2cnc(F)cn2)CC1)C1CC1	1089803217	CLUZBBGELCGPIE-UHFFFAOYSA-N	290.342	1.669	10	20	CDCD	
COc1cccc(CN(C)[C@H](C)CS(C)(=O)=O)c1O	93384849	NHPKBUXFDIWUDI-SNVBAGLBSA-N	287.381	1.266	10	20	CDCD	
Nc1ccc(CNC(=O)N[C@@H]2CCn3ccnc3C2)cc1	1336880622	WTLXVKRUIBHAFC-CYBMUJFWSA-N	285.351	1.280	10	20	CDCD	
C[C@@](O)(CNCc1ccc2ccccc2c1O)C(=O)O	1609972124	BMOHNBKNHGBJQQ-OAHLLOKOSA-N	275.304	1.471	10	20	CDCD	
C[C@](CO)(NCc1cc(Cl)cc(Cl)c1O)C(=O)O	1604197333	XHKPBXBEANSSDH-LLVKDONJSA-N	294.134	1.624	10	20	CDCD	
Cc1ccc(O)c([C@H](C)NCCn2cc(C(=O)O)nn2)c1	1607811068	IBGREUPIJNPPBZ-JTQLQIEISA-N	290.323	1.341	10	20	CDCD	
O=C(O)[C@H](CF)NCc1cc(Cl)c(F)cc1O	1601651363	UBQQZSREOBMJCC-QMMMGPOBSA-N	265.643	1.697	10	20	CDCD	
CCn1cnnc1CN[C@H](C)c1cc(OC)ccc1O	230658844	JOTQXOLUFNSHKF-SNVBAGLBSA-N	276.340	1.863	10	20	CDCD	
CN(C)c1ccc(CN=c2cc[nH]c(-c3nn[nH]n3)c2)cc1	1591032408	LFQPQNJIKVRUID-UHFFFAOYSA-N	295.350	1.362	10	20	CDCD	
C[C@@H]1CN(Cc2cccc(Cl)c2O)C[C@@H](C(=O)O)O1	1599866697	WSUNLNLIPYTMDX-KCJUWKMLSA-N	285.727	1.720	10	20	CDCD	
C[C@@H](NC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccccc1O	827923161	KOZRGUJAGKIBRG-NXEZZACHSA-N	283.349	1.004	10	20	CDCD	
CC(=O)N1CCCN(Cc2c(C)cccc2O)CC1	876554998	XKIZEFYDHNJIJG-UHFFFAOYSA-N	262.353	1.755	10	20	CDCD	
COCCN(CCO)Cc1cc(F)cc(C(C)=O)c1O	135834942	SOOVBSSAEPMQAG-UHFFFAOYSA-N	285.315	1.175	10	20	CDCD	
C[C@@](O)(CNCc1cc(F)ccc1O)C(F)(F)F	272527474	ZEFFZBAZBLTAPU-SNVBAGLBSA-N	267.222	1.934	10	20	CDCD	
Nc1ccc(CCNS(=O)(=O)N2CCCCC2)cc1	40675712	MIWUDTCURSVAGS-UHFFFAOYSA-N	283.397	1.132	10	20	CDCD	
C[C@@H](NCc1ccc2c(c1)CCO2)c1ncn(C)n1	275847419	QXMVJNGGCJAOSB-SNVBAGLBSA-N	258.325	1.601	10	20	CDCD	
Oc1cc2c(cc1CNCCC1(O)CCC1)OCO2	283883544	HDOSGFHCDRNBIR-UHFFFAOYSA-N	265.309	1.516	10	20	CDCD	
Cc1ccc(O)c([C@H](C)NC[C@@H]2CN(C)CCN2C)c1	68800934	ROCNVGCTTHTGLE-UONOGXRCSA-N	277.412	1.597	10	20	CDCD	
C[C@@H](NC[C@]1(O)CCN(C)C1)c1cc(F)ccc1O	702652933	NRBAWTWARJNHQE-QMTHXVAHSA-N	268.332	1.249	10	20	CDCD	
COc1ccc(CNC(=O)c2cccc(O)c2O)nc1	768871059	NAPFYYVGGBRGEG-UHFFFAOYSA-N	274.276	1.431	10	20	CDCD	
COCCCNC(=O)[C@H](C)N(C)Cc1ccccc1O	111236043	YQZGAGYJZYJTPA-LBPRGKRZSA-N	280.368	1.365	10	20	CDCD	
COc1ccc(O)c(CNC(=O)Cc2ccc(C)nc2)c1	114542049	CIQBMRNGQAOFEX-UHFFFAOYSA-N	286.331	1.963	10	20	CDCD	
O=C(O)[C@@H]1CC12CCN(C(=O)c1cccc(O)c1O)CC2	405395820	NENAPIQIRRWGOO-JTQLQIEISA-N	291.303	1.425	10	20	CDCD	
CON1CCC(CC(=O)NCc2cccc(O)c2O)CC1	1348048771	WPMNNFCAGSODDD-UHFFFAOYSA-N	294.351	1.378	10	20	CDCD	
CCOC(=O)[C@H]1CCCCN1C(=O)c1cccc(O)c1O	126270401	VQZSZBJVNGQHLT-LLVKDONJSA-N	293.319	1.656	10	20	CDCD	
COC(=O)COc1ccc(N(C)C[C@@H](C)OC)cc1	183796972	GNHQGJHJIXLZJE-LLVKDONJSA-N	267.325	1.710	10	20	CDCD	
CCN(CC)C(=O)CCC(=O)NCc1ccc(O)c(O)c1	182541494	ORXWRGDPOMCNFJ-UHFFFAOYSA-N	294.351	1.363	10	20	CDCD	
CCOc1ccc(O)c(CN(C)[C@H](C)C[S@](C)=O)c1	187829798	XYPBBLQPCOHUKJ-WYRIXSBYSA-N	285.409	1.990	10	20	CDCD	
COCC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	71797637	RURKKBQPBBSTHY-ZDUSSCGKSA-N	279.336	1.546	10	20	CDCD	
O=C1NC(=S)NC(=O)C1=CNc1ccc2c(c1)CCC2	48403068	LIWZAYDYYUNPHP-UHFFFAOYSA-N	287.344	1.002	10	20	CDCD	
CN1CCc2cc(/C=C/c3nc(=O)cc[nH]3)ccc21	130966756	WUJXZZICCUEVMN-HWKANZROSA-N	253.305	1.933	10	20	CDCD	
COc1cccc(CN2CC[C@H](O)[C@@H](C)C2)c1O	190044681	KBDGFZSFEUCXGX-JQWIXIFHSA-N	251.326	1.604	10	20	CDCD	
CNCC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	193129922	XIWXAXBPECKWRH-ZDUSSCGKSA-N	278.352	1.119	10	20	CDCD	
CC(C)(N)CC(=O)NCc1ccc(N2CCOCC2)cc1	236855453	XNIFBAQARGFHRS-UHFFFAOYSA-N	291.395	1.267	10	20	CDCD	
CN(C(=O)c1cn(C)nc1-c1cccnc1)c1cnn(C)c1	608588708	DVUNAIGEVPGLBS-UHFFFAOYSA-N	296.334	1.492	10	20	CDCD	
CC(C)CN1CC(=O)N[C@H]1c1ccc(N(C)C)c(F)c1	263934880	MSVBBPZZXQJOCH-OAHLLOKOSA-N	279.359	1.978	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NN1CCCCC1=O	272495459	SCNDSIIJHSBTCC-FNORWQNLSA-N	276.292	1.155	10	20	CDCD	
CC[C@H](COC)NC(=O)c1c(F)ccc(O)c1O	276658188	XPGYNQYCEKKNCB-SSDOTTSWSA-N	257.261	1.392	10	20	CDCD	
C[C@H](NCC(C)(C)OCCO)c1cc([N+](=O)[O-])ccc1O	287513427	ZHUGKYDVUJHIFL-JTQLQIEISA-N	298.339	1.739	10	20	CDCD	
CC[C@@H](N[C@H](CO)COC)c1ccc(N(C)C)cc1	281159369	PBAKJNCROYIWDF-UKRRQHHQSA-N	266.385	1.801	10	20	CDCD	
CO[C@H]1COC[C@@H]1N[C@H](C)c1ccc(F)cc1O	290045367	DTFGUXGWQDZLED-WLTAIBSBSA-N	255.289	1.596	10	20	CDCD	
CC[C@H](C)NC(=O)CCNC(=O)NCc1ccccc1O	299510770	NXSBFVWPOSXOPS-NSHDSACASA-N	293.367	1.496	10	20	CDCD	
COc1ccc(CNC(=S)NC2CCC2)c(O)c1	814202867	VUEDOJVOFXUSGK-UHFFFAOYSA-N	266.366	1.917	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN[C@@H]1CCOC[C@@H]1[C@@H](C)N	817893691	GQTJJYCWWIUYKT-KBRIMQKVSA-N	291.439	1.903	10	20	CDCD	
COCC[C@H]1COCCN1Cc1cc(C)cc(OC)c1O	812300554	YEISYNBKDLJXAS-AWEZNQCLSA-N	295.379	1.947	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC[C@H]2CCNC(=O)CC2)c1	828682124	IRKYPAPFQJLGFI-VXGBXAGGSA-N	292.379	1.968	10	20	CDCD	
COc1ccc(O)c(CNC[C@@H](CO)CC2CC2)c1	827359097	INSYJXGDUFUXMV-LBPRGKRZSA-N	265.353	1.899	10	20	CDCD	
Cc1noc([C@H](C)NC(=O)c2c(F)ccc(O)c2O)n1	825636201	AIYDVHAYORHCCX-YFKPBYRVSA-N	281.243	1.419	10	20	CDCD	
CC(C)C[C@@H](C(N)=O)C(=O)N[C@H](C)c1ccccc1O	827952283	MNPIKYWHWORBPB-PWSUYJOCSA-N	278.352	1.717	10	20	CDCD	
CC[C@@H](O)[C@H](C)C(=O)NCCc1ccc(O)c(O)c1	901121133	BCHUJWUFOYHJQE-GXSJLCMTSA-N	267.325	1.164	10	20	CDCD	
CCOC(=O)CCN(C)C(=O)c1c(F)ccc(O)c1O	825554656	UALCHPQSYBWUIO-UHFFFAOYSA-N	285.271	1.262	10	20	CDCD	
CCO[C@@H]1COC[C@H]1NCc1ccc(N(C)C)c(C)c1	832455381	FTUPOWDYQCEAHR-GDBMZVCRSA-N	278.396	1.955	10	20	CDCD	
C[C@H](NC(=O)c1cc(O)cs1)C(=O)NC(C)(C)C	731871842	SOICBQNTEWMJRA-ZETCQYMHSA-N	270.354	1.487	10	20	CDCD	
Cn1cccc(NC(=O)NCc2ccccc2O)c1=O	743182531	RLDUTXQBLNHDAR-UHFFFAOYSA-N	273.292	1.413	10	20	CDCD	
C[C@@H](CN(C)C(=O)NCc1ccc(N(C)C)cc1)C(=O)O	840983746	UOJYDMZSRNNGMN-NSHDSACASA-N	293.367	1.615	10	20	CDCD	
CO[C@@H]1C[C@@H](NC(=O)NCCc2ccc(N)cc2)C1(C)C	841853651	FPUWTQZEWYHBBZ-ZIAGYGMSSA-N	291.395	1.924	10	20	CDCD	
CN(C)c1ccc([C@H](N)CNCC[C@@H]2CCOC2)cc1	841042101	KFCPNVIJBLEJAT-CZUORRHYSA-N	277.412	1.769	10	20	CDCD	
CCc1cccc(CN[C@@H](COC)C(=O)OC)c1O	848906686	XHCGNQOSIAKYKF-LBPRGKRZSA-N	267.325	1.232	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2CC[C@@H](N)C[C@H]2C)c1O	846702191	GGRBYYJHYJWBIK-MWLCHTKSSA-N	295.339	1.621	10	20	CDCD	
CN(C)c1ccc(CNCCCN2CCNCC2)cc1F	841031184	YEHABPOIEXLDQF-UHFFFAOYSA-N	294.418	1.277	10	20	CDCD	
C[C@@H](NCCN1CCCC1=O)c1cc(F)cc(F)c1O	846204636	AFNMQOPSOMUHQZ-SECBINFHSA-N	284.306	1.943	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NC[C@@H]2CCCCN2)cc1	841655350	RISFWQXKPQTOOK-AWEZNQCLSA-N	290.411	1.694	10	20	CDCD	
CCc1cccc(CN[C@@H]2CCc3nc(C)nn3C2)c1O	848894249	HDTHBKANWFLSIQ-CQSZACIVSA-N	286.379	1.959	10	20	CDCD	
CCCNC(=O)CCNC(=O)NCc1ccccc1O	748461550	ZSSFCONFEZQMBS-UHFFFAOYSA-N	279.340	1.108	10	20	CDCD	
CC(C)[C@@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C(N)=O	759588279	KEFYNZIWHVGFDZ-DIECRNLCSA-N	279.292	1.164	10	20	CDCD	
C[C@H](NC(=O)C(C)(C)O)c1ccc(N(C)C)cc1	757598877	SZEVNEXSZUXJII-JTQLQIEISA-N	250.342	1.701	10	20	CDCD	
CNS(=O)(=O)CCCNCc1ccc2c(c1)CCCO2	922304968	CPOMHPNQDIUQCN-UHFFFAOYSA-N	298.408	1.041	10	20	CDCD	
CCC1(CNC(=O)NCc2cc(C)ccc2O)COC1	858519488	DHNQULYGJLLOSK-UHFFFAOYSA-N	278.352	1.926	10	20	CDCD	
CCOC[C@H]1CCN(Cc2cc3c(cc2O)OC[C@@H]3O)C1	768464193	ODDPJQABKXWDNA-NHYWBVRUSA-N	293.363	1.676	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCNC(C)(C)C	935312033	VHMSQGQMNWQTKB-LLVKDONJSA-N	294.395	1.923	10	20	CDCD	
CC(C)[C@H]1CNCCN1C(=O)NCCc1ccc(N)cc1	861641263	QOJMGJYNPJNPFS-OAHLLOKOSA-N	290.411	1.451	10	20	CDCD	
CCCn1cc(CNCc2cc(OC)ccc2O)nn1	865463113	HFMRFRGGNVJOTJ-UHFFFAOYSA-N	276.340	1.692	10	20	CDCD	
CCC(=O)N1CC[C@@H](NC(=O)c2cc(O)cs2)C1	762578149	DWYHQCXPVYBTIL-MRVPVSSYSA-N	268.338	1.194	10	20	CDCD	
CNc1nc(C)cc(C(=O)NCc2cc(C)ccc2O)n1	862755352	FLIUOHAWYNSZBL-UHFFFAOYSA-N	286.335	1.771	10	20	CDCD	
O=C(O)[C@H](CCO)NCc1cc(Cl)cc(Cl)c1O	1119613190	CWAKCRPRJABKKZ-VIFPVBQESA-N	294.134	1.624	10	20	CDCD	
Cc1ccc(CNC2CCN(CCN(C)C)CC2)c(O)c1	876925885	GALBZRGAFPHJGC-UHFFFAOYSA-N	291.439	1.816	10	20	CDCD	
COc1cc(C)cc(CN2CCCNC(=O)C2)c1O	872826313	UYVJGEPEWWJTGI-UHFFFAOYSA-N	264.325	1.031	10	20	CDCD	
C[C@H](NC(=O)c1cnn(C)c1N)c1ccc(N(C)C)cc1	775402379	DXBZPMKCHUPKKQ-JTQLQIEISA-N	287.367	1.559	10	20	CDCD	
Cc1nn(C)cc1CNC(=O)/C=C\c1ccc(O)c(O)c1	773883260	CRIUDWHAIOPMHO-XQRVVYSFSA-N	287.319	1.469	10	20	CDCD	
C[C@H]1CCN(S(=O)(=O)NCc2ccccc2O)C1	778003417	LTXKJXOASNVKGQ-JTQLQIEISA-N	270.354	1.068	10	20	CDCD	
CN(C)c1ccc(Cn2cc(CSCCO)nn2)cc1	881272562	ZWLBYZKNTCOLIG-UHFFFAOYSA-N	292.408	1.618	10	20	CDCD	
CCOc1ccc(CN[C@H](CO)C[C@H]2CCCO2)c(O)c1	886229743	VFXURQLOBVLOCI-UONOGXRCSA-N	295.379	1.811	10	20	CDCD	
C[C@@H](O)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	786826247	DYGAHHLXKUUUKM-VXGBXAGGSA-N	278.352	1.081	10	20	CDCD	
Cn1cc(/C=C/C(=O)N2CCNC(=O)c3ccccc32)cn1	784160287	UCPBPNXDISUOCL-VOTSOKGWSA-N	296.330	1.210	10	20	CDCD	
COc1ccc(O)c(CN2CC[C@@H](C3OCCO3)C2)c1	896387560	UAGYCRNPEOIMJY-LLVKDONJSA-N	279.336	1.596	10	20	CDCD	
COc1cccc(CN2CCS(=O)(=O)[C@@H](C)[C@@H]2C)c1O	93560149	USUCHGCACZTXBD-QWRGUYRKSA-N	299.392	1.408	10	20	CDCD	
C[C@@H]1CC(NC(=O)Cc2ccc(N)cc2)C[C@@H](C)O1	694791993	XALJMEUNESUCCH-GHMZBOCLSA-N	262.353	1.884	10	20	CDCD	
Cc1cc(N[C@H](C)Cc2ccc(O)c(O)c2)nc(CO)n1	1322483792	AULUCCFGLMPWAA-SECBINFHSA-N	289.335	1.732	10	20	CDCD	
COC(=O)CCN(Cc1ccc(N)cc1)C1CCOCC1	1336284895	DIEKMQGLLJHDJV-UHFFFAOYSA-N	292.379	1.813	10	20	CDCD	
C[C@@H]1C[C@H](NC(=O)NCc2ccc(N)cc2)c2nccn21	1335539259	PSAPOQSRVCOXQA-MFKMUULPSA-N	285.351	1.971	10	20	CDCD	
CN(CC1CCOCC1)C(=O)NCc1ccc(N)cc1	1337070209	LDROPEGFBUTKOS-UHFFFAOYSA-N	277.368	1.837	10	20	CDCD	
Cc1ccc([C@H](C)NCc2nnc3n2CCOC3)c(O)c1	1343547963	PMMWZJUIYGVQLM-NSHDSACASA-N	288.351	1.673	10	20	CDCD	
O=C(NCc1cccc(O)c1O)C1CCSCC1	1352658575	VUJPYLQOPWVEOR-UHFFFAOYSA-N	267.350	1.857	10	20	CDCD	
O=C(O)CCN(Cc1cccc(F)c1O)C[C@@H]1CCCO1	1608722307	OBIHPSLPRMGYDP-LBPRGKRZSA-N	297.326	1.987	10	20	CDCD	
O=C(O)c1cnc(SC[C@@H](O)CC2(O)CCC2)s1	1602536607	BURDAFZPBHMAOB-ZETCQYMHSA-N	289.378	1.599	10	20	CDCD	
CCOC(=O)CN(C)c1ccc(OC)cc1OC	131634533	LIINIAHMHJQRBE-UHFFFAOYSA-N	253.298	1.703	10	20	CDCD	
C[C@@H](N[C@H]1CCC[C@@H]1O)c1cc(C(=O)O)ccc1O	1593357272	PJGLGWSBAYJMGP-WLTAIBSBSA-N	265.309	1.654	10	20	CDCD	
C[C@H](N[C@@H](C)C(C)(C)O)c1cc(C(=O)O)ccc1O	1593353498	YLCONDVUKSDWMS-IUCAKERBSA-N	267.325	1.900	10	20	CDCD	
CCN(C)c1ccc([C@H](C)NCCS(C)(=O)=O)cc1	164780746	MWZCPNDHXYKHNC-LBPRGKRZSA-N	284.425	1.838	10	20	CDCD	
Nc1ccc(CC(=O)N2CCC[C@H]3CNC[C@H]32)cc1	841858132	ZMLWDDQLNPLBEJ-GXTWGEPZSA-N	259.353	1.022	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC[C@H]2CCS(=O)(=O)C2)c1	38082796	VKRHSWSHUKKKNW-GHMZBOCLSA-N	299.392	1.486	10	20	CDCD	
CCN(CC)c1ccc(CN[C@@]2(CO)CCOC2)cc1	184195558	NQLGANFNMHISHZ-MRXNPFEDSA-N	278.396	1.774	10	20	CDCD	
COCC[C@](C)(O)CN[C@H](C)c1ccc(F)cc1O	185467193	TYAPCCDSZQNLHP-YGRLFVJLSA-N	271.332	1.969	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC[C@]2(O)CCOC2)c1	186177738	ATWKGEOUAKYOKA-QMTHXVAHSA-N	267.325	1.203	10	20	CDCD	
CO[C@]1(CNCc2cc(F)cc(F)c2O)CCOC1	708535626	ODHUDRHMHJPNOM-ZDUSSCGKSA-N	273.279	1.566	10	20	CDCD	
COCCN(CC(=O)OC)Cc1cc(Cl)ccc1O	109779902	KRSSJFXCBPYARX-UHFFFAOYSA-N	287.743	1.667	10	20	CDCD	
COCCn1ccc(NC(=O)c2ccc(C)c(O)c2O)n1	179470616	QRKHUQODWRHOEL-UHFFFAOYSA-N	291.307	1.501	10	20	CDCD	
Nc1ccc(CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1	36810659	MHIZROLTSACZMG-UHFFFAOYSA-N	282.303	1.620	10	20	CDCD	
CCN(CC)c1ccc(CN2CCN(C)C(=O)C2)cc1F	127345195	OLIWXRUYEQPTDD-UHFFFAOYSA-N	293.386	1.946	10	20	CDCD	
C[C@H](NC[C@@]1(O)CCOC1)c1cc(Cl)ccc1O	186177519	QZFPMJNHPZFZAQ-ZANVPECISA-N	271.744	1.848	10	20	CDCD	
Nc1ccc(CC(=O)N2CCC[C@@H](c3ccn[nH]3)C2)cc1	37820086	BFGABFYMOOWUFJ-CYBMUJFWSA-N	284.363	1.941	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@H]2C[C@@H]2C(=O)O)cc1	37792152	RPBCRLMQTQCHFM-RYUDHWBXSA-N	262.309	1.090	10	20	CDCD	
C[C@@H]1C[C@@H]1CNC(=O)c1cc(NS(C)(=O)=O)ccc1O	49249456	PWTMHOWATNMLRC-RKDXNWHRSA-N	298.364	1.150	10	20	CDCD	
Nc1ccc(NC(=O)[C@H]2CCc3cn[nH]c3C2)cc1	238006786	AQFNIKLXDVDBLF-VIFPVBQESA-N	256.309	1.736	10	20	CDCD	
COc1cc(O)c(CN[C@H](CO)C(C)(C)C)cc1OC	194632144	QULFUZNQMKJGQQ-CQSZACIVSA-N	283.368	1.906	10	20	CDCD	
CCS(=O)(=O)C[C@H](C)N[C@@H](C)c1ccccc1O	183603772	KDDVITJQDGTOOH-QWRGUYRKSA-N	271.382	1.866	10	20	CDCD	
C[C@H](NC(=O)NCc1ccccc1O)c1cnn(C)c1	266578881	WYMQFPVDVFNWHT-JTQLQIEISA-N	274.324	1.686	10	20	CDCD	
C[C@H](C(=O)NCc1ccccc1O)N1CCSCC1	269655093	CWRRZDYEIPBCGT-LLVKDONJSA-N	280.393	1.446	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNCCCN(C)C)c1O	278868519	MSWRIJJJIKQLCP-UHFFFAOYSA-N	283.328	1.350	10	20	CDCD	
COc1ccc(O)c([C@H](C)N[C@@H](C)Cn2cncn2)c1	273364275	BBQTUSFAZCXCEH-QWRGUYRKSA-N	276.340	1.732	10	20	CDCD	
O=C(NCCN[C@@H]1CCc2cccc(O)c21)c1ccn[nH]1	296292184	DCRUYHFVPFMIEL-LLVKDONJSA-N	286.335	1.122	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1cc[nH]n1	298659833	OTHRKRDABUALAK-UHFFFAOYSA-N	258.325	1.748	10	20	CDCD	
CC1(C)[C@@H]2CN(C(=O)c3c(F)ccc(O)c3O)C[C@H]21	294773511	AIGQGFUUMPUXFI-HTQZYQBOSA-N	265.284	1.965	10	20	CDCD	
COC[C@H](C)CS(=O)(=O)NCc1ccccc1O	809818575	LVVBMCOJYRXSIX-JTQLQIEISA-N	273.354	1.094	10	20	CDCD	
C[C@H]1C[C@H](CO)CN(Cc2cc3c(cc2O)OCO3)C1	817412052	BUZGNPVEKLVEHM-QWRGUYRKSA-N	279.336	1.571	10	20	CDCD	
Cc1cc(C)c([C@H](C)NCCN2CCNCC2)c(O)c1	817944866	NZDXDKYJFKAXHC-AWEZNQCLSA-N	277.412	1.565	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)NC[C@@H]2C[C@H](F)CN2)c1	817976972	XYTLSAYUZUNUQA-USWWRNFRSA-N	296.342	1.529	10	20	CDCD	
Cc1ccc(O)c([C@@H](C)NC[C@@H]2CNCCCO2)c1	817982655	VDIHBIODSMEJPY-OLZOCXBDSA-N	264.369	1.730	10	20	CDCD	
CN(CCN1CCCC1)C(=O)c1c(F)ccc(O)c1O	825726854	BPGVGSQHZGRHGD-UHFFFAOYSA-N	282.315	1.405	10	20	CDCD	
CCOc1ccc(O)c(CN2CCO[C@H](C(=O)O)C2)c1	820387730	YIFPBXONYXSPSD-ZDUSSCGKSA-N	281.308	1.076	10	20	CDCD	
C=CC(=O)N(C)CC(=O)N[C@H](C)c1ccccc1O	827952561	XMVRDDAFDSDNIF-SNVBAGLBSA-N	262.309	1.214	10	20	CDCD	
CO[C@@H]1COCC[C@@H]1CNCc1cc2c(cc1O)OCO2	824710048	VPZSAPCILGULFA-MEBBXXQBSA-N	295.335	1.262	10	20	CDCD	
COCCOC[C@H](O)CN1CCCc2cc(OC)ccc21	827377941	IRNJJEVSWALGMP-CQSZACIVSA-N	295.379	1.472	10	20	CDCD	
COC(=O)C[C@@H](C)NC(=O)/C=C\c1ccc(O)c(O)c1	829702771	GOQDZAIBYSMIET-XTULLQBASA-N	279.292	1.179	10	20	CDCD	
CCOCc1cc(CNCCCON)ccc1OC	904457673	SQEVSEJGNFQGGV-UHFFFAOYSA-N	268.357	1.602	10	20	CDCD	
O=C(N[C@H]1CCN2CCC[C@H]2C1)c1c(F)ccc(O)c1O	825481485	KQVKRGZCWREKCO-UWVGGRQHSA-N	294.326	1.594	10	20	CDCD	
O=C(C[C@@H]1CC(=O)N1)NCc1c(O)ccc2c1CCCC2	830559295	LWCJBTYEWLIGPL-LLVKDONJSA-N	288.347	1.166	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NC[C@H]2CCN2C)cc1	902933878	NAHTUUOLQCOSMJ-CQSZACIVSA-N	276.384	1.256	10	20	CDCD	
O=C1[C@@H](NCc2ccc3c(c2)CCO3)C[C@H]2CCCCN12	835072299	FLBZHHUHDFBIOY-CABCVRRESA-N	286.375	1.865	10	20	CDCD	
CCCN(CCC(=O)NCC(=O)O)Cc1ccccc1O	737019084	AXHXKJLIYNZXFO-UHFFFAOYSA-N	294.351	1.195	10	20	CDCD	
Nc1ccc(CC(=O)N2CCC(Cn3cncn3)CC2)cc1	832021004	IJMGVPQZDOOVSQ-UHFFFAOYSA-N	299.378	1.342	10	20	CDCD	
CCOc1ccc(CN2CC[C@@H]3NCC[C@H]3C2)c(O)c1	843126291	HUHPEXPCRMPPEG-WFASDCNBSA-N	276.380	1.975	10	20	CDCD	
C[C@H](CN)CNCc1cc(Cl)cc([N+](=O)[O-])c1O	841050137	YHOQHGHPKFRKHT-SSDOTTSWSA-N	273.720	1.638	10	20	CDCD	
COCCN(CC(=O)O)Cc1cc(Cl)c(F)cc1O	840995360	JOYJCELXVVLSGD-UHFFFAOYSA-N	291.706	1.718	10	20	CDCD	
O=C(NCc1c(O)ccc2c1CCCC2)N[C@H]1CCNC1	841939041	KRKGVSKJXXSBHZ-LBPRGKRZSA-N	289.379	1.432	10	20	CDCD	
CCOc1ccc(O)c(CNCCNCCOC)c1	841048842	WHBBVWIXKCSEKI-UHFFFAOYSA-N	268.357	1.117	10	20	CDCD	
CN(CC1CC1)C(=O)CN1CCCc2cc(CN)ccc21	843349843	GCSCSEWTKZRJBM-UHFFFAOYSA-N	287.407	1.766	10	20	CDCD	
CN1CCN(c2ccc(CN[C@H]3C[C@H](CO)C3)cc2)CC1	923003278	CSQFLNFKQMJBBZ-WKILWMFISA-N	289.423	1.299	10	20	CDCD	
COc1ccc(N(C)CCN(C)C[C@H](C)N)cc1	846225361	NFZXQLQVPYWZCU-LBPRGKRZSA-N	251.374	1.410	10	20	CDCD	
COc1cc(C(=O)N[C@@H]2CCN(C(C)C)C2)cc(OC)n1	1015104227	REKWMLRGSFSEKW-GFCCVEGCSA-N	293.367	1.311	10	20	CDCD	
CN(C[C@@H]1CC1(C)C)C(=O)C(=O)Nc1ccc(N)cc1	853330405	MXLCUAWBULMPQY-JTQLQIEISA-N	275.352	1.712	10	20	CDCD	
COC(=O)[C@@H]1C[C@H](C)CCN1C(=O)c1cccc(O)c1O	857328991	ALADIDAUSQGCKM-KOLCDFICSA-N	293.319	1.512	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)C[C@@H]2CCS(=O)(=O)C2)c1	862761066	CCUVPFUMYYNGST-NSHDSACASA-N	297.376	1.142	10	20	CDCD	
Cc1nnc(O)c(CNCc2ccccc2O)c1C	1116566141	QOSZSASBRWBPEQ-UHFFFAOYSA-N	259.309	1.794	10	20	CDCD	
COC[C@H](C)CS(=O)(=O)N[C@H](C)c1ccccc1O	867835126	UOCKLSAIOIHPDL-WDEREUQCSA-N	287.381	1.655	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)NCCC(C)(C)N	1119481999	BNYWXMHMZMKCIM-UHFFFAOYSA-N	265.357	1.661	10	20	CDCD	
Cc1cc(C(=O)NC[C@H]2C[C@H](N)C2)c(C)n1-c1ccccn1	870969635	GCYDUFCUMQGDFP-HDJSIYSDSA-N	298.390	1.956	10	20	CDCD	
COC(=O)C[C@]1(NCc2ccc(C)cc2O)CCCOC1	877404538	DKDMZLNVGGZSTQ-MRXNPFEDSA-N	293.363	1.903	10	20	CDCD	
CCOc1ccc(CN2C[C@H](O)[C@H](CC)C2)c(O)c1	770383448	VLBWQODCJMEJTG-ABAIWWIYSA-N	265.353	1.994	10	20	CDCD	
CC[C@H](CCO)NCc1ccc(N2CCC(O)CC2)cc1	877055902	RYVYXFDPNUPKQV-OAHLLOKOSA-N	292.423	1.898	10	20	CDCD	
CCOc1cccc(CN2C[C@H](CO)OC[C@H]2C)c1O	770351101	IQMBCJSMWJQDHI-DGCLKSJQSA-N	281.352	1.373	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@H]1CCC[C@H](C(N)=O)C1	787119474	BLKRQGRHPRHQON-RYUDHWBXSA-N	290.363	1.642	10	20	CDCD	
COC(=O)CC(C)(C)NC(=O)c1ccc(C)c(O)c1O	780954262	OIXCZEJUMZAULS-UHFFFAOYSA-N	281.308	1.478	10	20	CDCD	
CC[C@@H](NCc1nnn(C)n1)c1ccc(N(C)C)cc1	787032862	SNRAYOYWTOLZEL-CYBMUJFWSA-N	274.372	1.517	10	20	CDCD	
Cc1cc(CNC(=O)c2ccc(C)c(O)c2O)n[nH]1	780936881	FDZDGKNSUYLGEM-UHFFFAOYSA-N	261.281	1.368	10	20	CDCD	
C[C@@H]1C[C@@H](NC(=O)N(C)Cc2ccccc2O)C(=O)O1	896332342	MVADYYGHXLUCHY-MWLCHTKSSA-N	278.308	1.238	10	20	CDCD	
COc1ccc(CNC(=O)c2cc(C)[nH]n2)c(O)c1	794379782	SLFGOWHDOHWGRN-UHFFFAOYSA-N	261.281	1.362	10	20	CDCD	
OC[C@]12C[C@@H]1CN(Cc1cc(F)cc(F)c1O)C2	894535466	UCOAGYDVHWYMIJ-NOZJJQNGSA-N	255.264	1.485	10	20	CDCD	
CC(C)OC(=O)CCCNC(=O)NCc1ccc(N)cc1	1335509150	KOMJBBCEIGCEGR-UHFFFAOYSA-N	293.367	1.800	10	20	CDCD	
Nc1ccc(CNC(=O)N[C@@H]2CC[C@H]3CNC[C@@H]3C2)cc1	1336909290	OKRYQXAUPJTZSF-KCQAQPDRSA-N	288.395	1.456	10	20	CDCD	
COC[C@H]1CN(Cc2ccc(N)cc2)C[C@H](C)O1	1262488099	QKTNHQDIVUHUAM-SMDDNHRTSA-N	250.342	1.505	10	20	CDCD	
CN(CC(=O)NCc1cccc(O)c1O)[C@H]1CCSC1	1347233087	FJBFQPFLLGACFG-NSHDSACASA-N	296.392	1.151	10	20	CDCD	
O=C(O)[C@@H](F)CNCc1c(O)ccc(Cl)c1F	1350663370	USFLSCKRZXMYPP-ZETCQYMHSA-N	265.643	1.697	10	20	CDCD	
Nc1ccc(CNC(=O)N2CCC(F)(F)[C@H](CO)C2)cc1	1353539578	NCOONHCBSRLZFA-NSHDSACASA-N	299.321	1.428	10	20	CDCD	
COc1ccc(O)c(CNCCN2CCSCC2)c1	225927759	DPSKZOHOCNXONH-UHFFFAOYSA-N	282.409	1.539	10	20	CDCD	
C[C@@H](NCc1c(C(=O)O)cnn1C)c1ccccc1O	1604994137	WWDSDGFEQVXSBH-SECBINFHSA-N	275.308	1.675	10	20	CDCD	
CCC[C@@](C)(O)CNCc1cc2c(cc1O)OCO2	226251598	IDRPDMMCZUCETE-CQSZACIVSA-N	267.325	1.762	10	20	CDCD	
COC[C@@H](CC(=O)O)NCc1ccc2c(c1)CCCO2	1777229155	MVFAKFFKJVGYGK-CYBMUJFWSA-N	279.336	1.591	10	20	CDCD	
CCNC(=O)CNCc1ccc(N2CCCC2)cc1	37262457	JLOWLOKECRRYBW-UHFFFAOYSA-N	261.369	1.513	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CCC[C@H](CO)C2)c1O	50132048	RVCCIZDVNNPGQC-NSHDSACASA-N	281.327	1.938	10	20	CDCD	
Cc1ccc([C@H](C)N[C@H]2CCCN(C)C2=O)c(O)c1	704337398	DDXCDMKZVXFMGU-AAEUAGOBSA-N	262.353	1.972	10	20	CDCD	
CN1CC[C@](O)(CN[C@@H]2CCc3cccc(O)c32)C1	705720937	ZEPNVOWINIKEHR-DOMZBBRYSA-N	262.353	1.036	10	20	CDCD	
CC(C)(CS(C)(=O)=O)NCc1cc(Cl)ccc1O	391387548	DNVBJPVKXNDGBM-UHFFFAOYSA-N	291.800	1.958	10	20	CDCD	
Cc1cc(NC(=O)CN(C)Cc2ccccc2O)on1	109770552	CJWLRBPKNYIRMG-UHFFFAOYSA-N	275.308	1.759	10	20	CDCD	
O=C(CCC1CCOCC1)NCCc1ccc(O)c(O)c1	122188892	YBZVSUSNIAREMI-UHFFFAOYSA-N	293.363	1.963	10	20	CDCD	
Cc1ocnc1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	185386110	MXVBCJGQZMCKTK-MRVPVSSYSA-N	276.292	1.755	10	20	CDCD	
COc1cc(N2CCC(CO)CC2)c([N+](=O)[O-])cc1OC	213630927	QHSUNXIUTQHMGZ-UHFFFAOYSA-N	296.323	1.821	10	20	CDCD	
COc1ccc(N2CCN(C/C=C(/C)C(=O)O)CC2)cc1	88630358	YNZSIWYQGPARDC-QPEQYQDCSA-N	290.363	1.848	10	20	CDCD	
Nc1ccc(CC(=O)N2CCC[C@H](CCC(=O)O)C2)cc1	43586154	JVPOYSOQOHLZIH-CYBMUJFWSA-N	290.363	1.915	10	20	CDCD	
COc1ccc(O)c(CN2CC[C@H](N)[C@H](C)C2)c1	94339079	DPCZEUXCZUOMLI-MFKMUULPSA-N	250.342	1.570	10	20	CDCD	
COc1cccc(CN[C@H]2C[C@H]3CC[C@H]2NC3)c1O	530247005	VGMWPUFBVUHUOQ-RTXFEEFZSA-N	262.353	1.631	10	20	CDCD	
CC[C@](C)(O)CN[C@@H](C)c1cc(C(=O)OC)ccc1O	273467253	FBNUZILNGAWLCF-BONVTDFDSA-N	281.352	1.990	10	20	CDCD	
COC(=O)CSCCNC(=O)c1ccc(C)c(O)c1O	272887237	YSOAUTXEOFDRLV-UHFFFAOYSA-N	299.348	1.042	10	20	CDCD	
CC[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)OC	272399274	HQQLNXOFDIWTQY-STUBTGCMSA-N	279.292	1.179	10	20	CDCD	
Cc1ccc(O)c(CN2CCC[C@H](CS(N)(=O)=O)C2)c1	271171189	IVFVUWDOIPTWAF-LBPRGKRZSA-N	298.408	1.201	10	20	CDCD	
Cc1ccc([C@H](C)NCCCn2cc(CO)nn2)c(O)c1	289670752	HEYCQJFEGCCTEW-LBPRGKRZSA-N	290.367	1.525	10	20	CDCD	
C[C@H]1C[C@@H](C)O[C@H]1C(=O)NCc1ccc(O)c(O)c1	282312804	HCPRNYSIRUZEQU-IGJMFERPSA-N	265.309	1.528	10	20	CDCD	
CC(=O)C(=O)COC(=O)Cc1c[nH]c2ccccc12	808487491	NAXORMJKGXJPPU-UHFFFAOYSA-N	259.261	1.412	10	20	CDCD	
COc1cc(C)cc(CN2CC[C@@H](CC(N)=O)C2)c1O	808228799	LPWABBVWVRGKEQ-NSHDSACASA-N	278.352	1.407	10	20	CDCD	
Oc1cc(F)c(Cl)cc1CNC[C@@H]1COCCO1	816536840	LPMHCBWGNPCYNN-SECBINFHSA-N	275.707	1.690	10	20	CDCD	
CC[C@H](NCCN1CCNCC1)c1ccc(C)cc1O	817945014	RIBORXGFLZUYNJ-HNNXBMFYSA-N	277.412	1.647	10	20	CDCD	
O=C(O)[C@H]1CCN(Cc2cc3c(cc2O)CCC3)C1	819286539	AWYRQEHKEVYIKL-LBPRGKRZSA-N	261.321	1.787	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)N[C@H](C)CCCN)c1	817977377	JBNBVKFWWOPKQQ-GHMZBOCLSA-N	280.368	1.957	10	20	CDCD	
COc1cc(O)c(CN[C@@H]2CCCC[C@H]2N)cc1OC	818431929	WQEZJVCXFGHUAS-VXGBXAGGSA-N	280.368	1.769	10	20	CDCD	
Cc1nc(CN(C)Cc2cc3c(cc2O)OCO3)no1	827891592	LKLRWJGJPHYOOA-UHFFFAOYSA-N	277.280	1.444	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)NCCCn1ccnc1	588403725	YRJIZVIUVFCIRN-HYXAFXHYSA-N	287.319	1.514	10	20	CDCD	
O=C(O)[C@H]1CCN(Cc2cccc(Cl)c2O)C1	821511787	RFMJAPQDBBGUAG-VIFPVBQESA-N	255.701	1.952	10	20	CDCD	
C[C@@H](OC(=O)c1cc(O)cs1)C(=O)NCC(F)(F)F	732354666	PXKDGPJPVZUTBG-RXMQYKEDSA-N	297.254	1.678	10	20	CDCD	
CN(Cc1ccccc1O)C[C@@H]1CC2(CCNCC2)CO1	903722734	OGXOMVAPIZCXNK-HNNXBMFYSA-N	290.407	1.983	10	20	CDCD	
c1cc2c(cc1CNCCCN1CCNCC1)CCCO2	904349863	DQSKWTUYUZFOPZ-UHFFFAOYSA-N	289.423	1.397	10	20	CDCD	
C[C@H](N)C[C@@H](C)NC(=O)N(C)Cc1ccccc1O	831202853	NIBCDIVNLNNFQN-WDEREUQCSA-N	265.357	1.659	10	20	CDCD	
CNC(=O)CCCCC(=O)NCCc1ccc(N)cc1	832659306	ZJPRFQPEZVMHND-UHFFFAOYSA-N	277.368	1.234	10	20	CDCD	
COc1cccc(CNCCCNC2CC2)c1O	841091574	APNDHIBONPOODD-UHFFFAOYSA-N	250.342	1.633	10	20	CDCD	
CCN1CCN(C(=O)Cc2ccc(N)cc2)C(C)(C)C1=O	843499881	YEQMFLJDVQTMBF-UHFFFAOYSA-N	289.379	1.281	10	20	CDCD	
COc1cccc(O)c1CN[C@@H]1CCC[C@H](N)C1	841054795	HTZYACIBFMNSMP-WDEREUQCSA-N	250.342	1.760	10	20	CDCD	
CC[C@H](C)[C@H](C)NC(=O)C(=O)Nc1ccc(N)cc1	841022236	QWXGSECNPGKLKB-UWVGGRQHSA-N	263.341	1.758	10	20	CDCD	
Nc1ccc(NC(=O)N[C@H]2CCN(CC3CC3)C2)cc1	841299581	FBKVQZGSAMFQRZ-AWEZNQCLSA-N	274.368	1.875	10	20	CDCD	
C[C@@H]1C[C@@H](C)N(C(=O)C(=O)Nc2ccc(N)cc2)C1	841046864	QAALJWBAJBJFLL-NXEZZACHSA-N	261.325	1.464	10	20	CDCD	
CC[C@H](O)[C@@H](C)C(=O)N(CC(=O)O)Cc1ccccc1O	911484433	NSBCCYSJPPUMDL-PWSUYJOCSA-N	295.335	1.212	10	20	CDCD	
C[C@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(N)cc2)C1	841010613	GZOWOOADACNTLW-GWCFXTLKSA-N	275.352	1.902	10	20	CDCD	
COc1cccc([C@H](C)N[C@H](C)CN2CCOCC2)c1O	846140145	HKHAOUSXGREETN-OLZOCXBDSA-N	294.395	1.772	10	20	CDCD	
C[C@@H]1[C@@H](CO)CCCN1C(=O)c1cccc(O)c1O	840558813	KOAVYZIUCNSHQI-NXEZZACHSA-N	265.309	1.331	10	20	CDCD	
C[C@H](COCC1CC1)NC(=O)NCCc1ccc(N)cc1	846173397	QCHDJABEPHDBTK-GFCCVEGCSA-N	291.395	1.926	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1CC(S(C)(=O)=O)C1	841887411	NNWVCKPSIKLFJL-UHFFFAOYSA-N	282.409	1.290	10	20	CDCD	
COc1cccc(CNC[C@@H]2CCCCN2)c1O	841033408	UCRAAWHHLDTOKA-LBPRGKRZSA-N	250.342	1.633	10	20	CDCD	
C[C@H](NCc1ccc(N2CCOCC2)cc1)C1(CO)CC1	850360055	AEAMISXGFIVISC-AWEZNQCLSA-N	290.407	1.774	10	20	CDCD	
COC(=O)N1CC(NCc2cc(F)c(N(C)C)cc2F)C1	858150554	AWTWHHWRCHCASX-UHFFFAOYSA-N	299.321	1.571	10	20	CDCD	
CC1=NO[C@@H](C(=O)NCc2ccc(N(C)C)cc2)C1	854271038	VFRZEMFISGDLKT-CYBMUJFWSA-N	261.325	1.534	10	20	CDCD	
C[C@H](N)CN(C)C(=O)NCCCSc1nccs1	861609714	OEMBQZVQGROANZ-VIFPVBQESA-N	288.442	1.614	10	20	CDCD	
CC[C@@H](NC(C)=O)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	867302355	OIFNVKSKUXGQIC-JOYOIKCWSA-N	294.351	1.060	10	20	CDCD	
CN(Cc1nc(C(C)(C)N)no1)c1ccc(N)cc1	863555886	JUXFVHDXGRHNRF-UHFFFAOYSA-N	261.329	1.482	10	20	CDCD	
CCOC[C@@H]1CN(C(=O)c2cc(O)cs2)CCO1	862957465	PLGOEAMCSUYUEK-JTQLQIEISA-N	271.338	1.331	10	20	CDCD	
Cc1cc(O)ccc1NS(=O)(=O)c1cnc(C)n1C	863404706	HXDSMPCDYGMWPW-UHFFFAOYSA-N	281.337	1.543	10	20	CDCD	
COC(OC)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	873967806	XGRBGBCSHNIBPU-UHFFFAOYSA-N	292.379	1.863	10	20	CDCD	
COc1cccc(O)c1CN1CCC(OCCO)CC1	769537433	KGFIGPXIDIOJEM-UHFFFAOYSA-N	281.352	1.374	10	20	CDCD	
CCOc1ccc(CN(C)CCNC(=O)C(C)C)c(O)c1	770378312	CFEJBRMWLAZQBN-UHFFFAOYSA-N	294.395	1.995	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N1CCc2c[nH]nc2C1	779533713	IBXIPFWFADGAHW-RQOWECAXSA-N	285.303	1.419	10	20	CDCD	
CC(C)[C@@H](CN(C)C)NC(=O)/C=C/c1ccc(O)c(O)c1	779522999	XTNGYLWQKJBLMA-STMXVASLSA-N	292.379	1.813	10	20	CDCD	
CCOC(=O)C1=NN(c2ccc(F)cc2OC)C(=O)[C@@H]1C	871958210	ALBUXYKEUWQZDO-MRVPVSSYSA-N	294.282	1.736	10	20	CDCD	
CCCOc1ccc(CN[C@@H]2COC[C@@H]2O)cc1C	873147558	WUUKSZBRMPAAFG-KGLIPLIRSA-N	265.353	1.633	10	20	CDCD	
C[C@H]1CCCCN1C(=O)COC(=O)c1cccc(O)c1O	776278777	GFLHDKHSAXYPMI-JTQLQIEISA-N	293.319	1.656	10	20	CDCD	
O=C(c1cc(O)cs1)N1CC[C@H](n2cncn2)C1	777225194	VSLIEZQUIFLYID-QMMMGPOBSA-N	264.310	1.132	10	20	CDCD	
CCOc1ccc(N(C)C[C@@H](O)CO[C@@H](C)COC)cc1	773753608	LKXGZNBULQSYJB-DZGCQCFKSA-N	297.395	1.934	10	20	CDCD	
CO[C@@]1(C(=O)N(C)c2ccc(N)cc2)CCSC1	884441627	MIWVMJCBMVBBCJ-ZDUSSCGKSA-N	266.366	1.754	10	20	CDCD	
C[C@](O)(CNC(=O)c1c(F)ccc(O)c1O)c1ccco1	789987035	PSJPKQPAWLZDDO-AWEZNQCLSA-N	295.266	1.467	10	20	CDCD	
CC[C@@H](C(=O)NCc1cc(OC)ccc1O)[C@H](C)O	790070746	FYTPXJJWPFKFSO-JOYOIKCWSA-N	267.325	1.424	10	20	CDCD	
CC[C@@](C)(OC)C(=O)OCC(=O)c1ccc(O)c(O)c1	796396947	NZOYBTRJFSHUKF-CQSZACIVSA-N	282.292	1.639	10	20	CDCD	
CNC[C@@H](C)CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1	1327480707	MVIQJCAFENKAQK-CHWSQXEVSA-N	292.427	1.968	10	20	CDCD	
CC(C)[C@H](CC(=O)O)NCc1cc([N+](=O)[O-])ccc1O	1320748407	DQJOZPKTDDXFAH-NSHDSACASA-N	282.296	1.889	10	20	CDCD	
Cc1ccc(C(=O)O[C@@H]2CCN(C3CC3)C2=O)c(O)c1O	1339929200	OWKZOYPRPQFQEM-LLVKDONJSA-N	291.303	1.326	10	20	CDCD	
O=C(O)c1cncnc1NCc1c(O)cccc1O	1602543098	BVHCGQXEIOXHBH-UHFFFAOYSA-N	261.237	1.198	10	20	CDCD	
C[C@@H](NCc1nccn1C)c1cc(C(=O)O)ccc1O	1604350410	VEWWVCSIDDEETA-SECBINFHSA-N	275.308	1.675	10	20	CDCD	
COc1cccc([C@@H](C)NC[C@H](C)C(=O)O)c1O	1604857057	MRGTTYAKCDBBLL-DTWKUNHWSA-N	253.298	1.772	10	20	CDCD	
Cc1ccc(C(=O)N2CCNCCC23CCC3)c(O)c1O	1579661034	BQNOOJRUNIMANG-UHFFFAOYSA-N	290.363	1.764	10	20	CDCD	
COC(CCN(C)c1ccc(OCC(=O)O)cc1)OC	1599044358	TXVHYPNXZMAPCF-UHFFFAOYSA-N	283.324	1.595	10	20	CDCD	
COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3)CC2)cc1	11805368	RYJQTEVWVCXPKG-HNNXBMFYSA-N	289.379	1.096	10	20	CDCD	
CN(C[C@@H]1CCCN1C)C(=O)c1cccc(O)c1O	126473970	UXJHHJKQOMIWHH-JTQLQIEISA-N	264.325	1.264	10	20	CDCD	
CC[C@@H](OC)C(=O)NCCc1ccc(O)c(O)c1	270538480	IWNYYKGJHPMIPI-GFCCVEGCSA-N	253.298	1.182	10	20	CDCD	
CCc1cccc(CN[C@H]2CCCCNC2=O)c1O	691523423	OUYCYOKSKWAYNQ-ZDUSSCGKSA-N	262.353	1.713	10	20	CDCD	
C[C@H](C(=O)O)N(C(=O)Cc1ccc(N)cc1)C1CC1	383314896	IRVVPGSALSDVCS-SECBINFHSA-N	262.309	1.275	10	20	CDCD	
Cc1ncsc1CNC(=O)c1cccc(O)c1O	126408260	MQINTMRHPOYRDA-UHFFFAOYSA-N	264.306	1.793	10	20	CDCD	
CCc1nnsc1C(=O)NCCc1ccc(O)c(O)c1	122827623	JHCCFYLPEOSHNO-UHFFFAOYSA-N	293.348	1.484	10	20	CDCD	
Nc1ccc(NC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)cc1	238005079	YJBVMEWFFIXSEO-LBPRGKRZSA-N	287.363	1.856	10	20	CDCD	
CN(Cc1cc2c(cc1O)OCO2)[C@@H](CO)C(C)(C)C	93837453	QIIBPMQQQCNWMU-AWEZNQCLSA-N	281.352	1.960	10	20	CDCD	
Cn1nccc1/C=C1/SC(N2CCCCC2)=NC1=O	255045306	YXFACQRKQGKDJC-PKNBQFBNSA-N	276.365	1.876	10	20	CDCD	
COc1cccc(CNC(=O)COC(C)C)c1O	264276329	OWZVHQOIENOBRO-UHFFFAOYSA-N	253.298	1.442	10	20	CDCD	
CCOC1CC(O)(CNCc2ccc(N(C)C)c(F)c2)C1	277663558	HCHLTZYLWBTKBM-UHFFFAOYSA-N	296.386	1.911	10	20	CDCD	
CCOc1cccc(CN2CCN3C(=O)OC[C@H]3C2)c1O	378347874	WUFKZDWMZVWIAB-GFCCVEGCSA-N	292.335	1.427	10	20	CDCD	
Cn1cc(C(=O)NCc2c(O)ccc3c2CCCC3)nn1	289264571	FVTLQWLLJSNATA-UHFFFAOYSA-N	286.335	1.330	10	20	CDCD	
CCCn1cc(C(=O)NCc2ccc(N)cc2)cn1	297215593	NQPHJHNIQNNFFV-UHFFFAOYSA-N	258.325	1.805	10	20	CDCD	
C[C@@H]1C[C@H](CO)CN(C(=O)c2cc(O)cs2)C1	817766816	RVVPTOFAVVGKEU-BDAKNGLRSA-N	255.339	1.544	10	20	CDCD	
COc1cnc(C(=O)N(C)Cc2ccccc2O)nc1	815796856	PLSIZEFHTQDWKR-UHFFFAOYSA-N	273.292	1.463	10	20	CDCD	
CC1(C)CN(Cc2ccccc2O)C[C@@H](CO)O1	817413439	XWDOZUZYMXQSCK-LBPRGKRZSA-N	251.326	1.364	10	20	CDCD	
C[C@H](N)C[C@H](C)NCc1ccc(N2CCOCC2)cc1	817896218	ZPCDGFNZERNXJJ-KBPBESRZSA-N	277.412	1.739	10	20	CDCD	
Cc1ccn(CC(=O)NCCCSc2nccs2)n1	823297694	GXRBKUSIODWESR-UHFFFAOYSA-N	296.421	1.947	10	20	CDCD	
Cc1cc(O)c(CN2CCN(C)C(=O)C2)cc1Cl	824823407	BKFTWFMZUTWQDO-UHFFFAOYSA-N	268.744	1.628	10	20	CDCD	
Cc1cnn(CC(=O)N[C@H](C)c2ccccc2O)c1	827930108	BKWQFWSNCUREQC-LLVKDONJSA-N	259.309	1.775	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)[C@H]2CC(=O)N2)cc1	822608913	ZLDAFQQNZSARFR-CYBMUJFWSA-N	275.352	1.038	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2C[C@]23CCNC3)c1	828667863	VIADQBULASMWCR-NKFCBESUSA-N	290.363	1.578	10	20	CDCD	
CS(=O)(=O)NCCSc1ncc(Cl)s1	849999421	QYIZJZTVEIQOBG-UHFFFAOYSA-N	272.804	1.438	10	20	CDCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1cnn[nH]1	839915631	ISEICRDWAMTVPQ-NSHDSACASA-N	287.367	1.540	10	20	CDCD	
Nc1ccc(Cc2noc([C@@H]3[C@@H]4CCC(=O)[C@H]43)n2)cc1	904078243	WMBHFSKEHNOYAL-DDTOSNHZSA-N	269.304	1.935	10	20	CDCD	
O=C(NCc1nnc(C2CC2)s1)c1cccc(O)c1O	839906263	JJMGGCOKRWUIQB-UHFFFAOYSA-N	291.332	1.757	10	20	CDCD	
CC(C)NC(=O)[C@@H](C)NC(=O)c1cc(O)cs1	839900476	MCJQTRJFCIRYRA-SSDOTTSWSA-N	256.327	1.097	10	20	CDCD	
C[C@@H](CN)NC(=O)N[C@H](C)c1ccc(N(C)C)cc1	841881648	UCASCIIOKIVGPI-WDEREUQCSA-N	264.373	1.460	10	20	CDCD	
N[C@H](CNCc1ccc(N2CCOCC2)c(F)c1)C1CC1	841051859	ZNCQRYBWOCRLAA-OAHLLOKOSA-N	293.386	1.489	10	20	CDCD	
C[C@@H]1CCN(Cc2cc3c(cc2O)OCO3)C[C@H]1CN	841101322	SMTBJTNXRLTOHK-ZYHUDNBSSA-N	278.352	1.538	10	20	CDCD	
CCC(=O)COC(=O)/C=C\c1ccc(O)c(O)c1	759588555	MKHHNKONYMODFM-XQRVVYSFSA-N	250.250	1.633	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCC[C@H](N2CCOCC2)C1	854727461	YPGJZGCPWSVFKX-NSHDSACASA-N	296.392	1.391	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NC[C@]2(C)CCC(=O)N2)c1	858530110	VHIGPVDWCBOZJH-HNNXBMFYSA-N	291.351	1.169	10	20	CDCD	
Cc1cc(C)c(O)c(CN2CCN(C(=O)N(C)C)CC2)c1	754726066	MOGWZMREMAUUJD-UHFFFAOYSA-N	291.395	1.808	10	20	CDCD	
COc1ccc(N2CC[C@@H](NC(=O)[C@H]3C[C@@H](N)C3)C2)cc1	852899993	FVDZHMNZKVUFNJ-FRRDWIJNSA-N	289.379	1.127	10	20	CDCD	
COC(=O)N[C@H](C(=O)NCc1cc(C)ccc1O)C(C)C	862760070	KXFNKUPKVMPYQP-ZDUSSCGKSA-N	294.351	1.697	10	20	CDCD	
COC(C)(C)CN(C)Cc1cc2c(cc1O)OC[C@@H]2O	768463055	FLXSYLQFQWXTIR-ZDUSSCGKSA-N	281.352	1.675	10	20	CDCD	
Cc1noc(CCC(=O)NCCc2ccc(O)c(O)c2)n1	768900957	QXOFDQWSYMITLA-UHFFFAOYSA-N	291.307	1.081	10	20	CDCD	
C[C@H](N)CN(C)C(=O)NCc1ccc(N2CCCC2)cc1	861557718	SXKCGYQJAMWPGW-ZDUSSCGKSA-N	290.411	1.775	10	20	CDCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2NCCN1CCNCC1	1118058068	ITLXDWKYCGQFEX-ZIAGYGMSSA-N	289.423	1.744	10	20	CDCD	
COC[C@@H]1CN(Cc2c(C)cccc2O)C[C@H](C)O1	877465166	VNKFYHCCZPIJHV-STQMWFEESA-N	265.353	1.936	10	20	CDCD	
COc1ccc(N2CCN([C@@H](C)C(=O)O)CC2)c(OC)c1	873645545	YXRGPHZSAVPWNT-NSHDSACASA-N	294.351	1.299	10	20	CDCD	
COc1cc(O)c(CN2CCN(C)[C@H](C)[C@H]2C)cc1OC	775986687	RYAPJMKSKNWKML-VXGBXAGGSA-N	294.395	1.934	10	20	CDCD	
CCCCNC(=O)NC(=O)CN[C@H](C)c1ccccc1O	879648753	CKYBXJRJNCDLAK-LLVKDONJSA-N	293.367	1.669	10	20	CDCD	
CCOCCO[C@@H](C)C(=O)N(C)c1ccc(N)cc1	877078499	RNMMGEOWXLXMRD-NSHDSACASA-N	266.341	1.673	10	20	CDCD	
COc1ccc(C(=O)NCc2ccc(O)c(O)c2)cn1	778917076	VHRZVZQVKAEYDI-UHFFFAOYSA-N	274.276	1.431	10	20	CDCD	
O=C(Cc1ccccc1CO)NCc1ccccc1O	779815412	PMAFNTXYWCDXMC-UHFFFAOYSA-N	271.316	1.743	10	20	CDCD	
C[C@@H](NC[C@@H](O)COCC1CC1)c1ccccc1O	775137039	QOYDMRARHJJPFB-DGCLKSJQSA-N	265.353	1.830	10	20	CDCD	
COc1cc(O)c(CN2CCC[C@@H]2CCO)cc1OC	779202638	RFONORADUBCHTR-GFCCVEGCSA-N	281.352	1.756	10	20	CDCD	
COc1cccc(O)c1CN(C)C[C@@H]1CCC[C@H]1O	770292674	OFFHJPKFARRJGN-WCQYABFASA-N	265.353	1.994	10	20	CDCD	
CCC[C@H]1C(=O)NCCN1Cc1cc(F)cc(F)c1O	894087024	RKVAVFBVBTXUPZ-LBPRGKRZSA-N	284.306	1.771	10	20	CDCD	
Cn1ncnc1/C=C1\SC(N2CCCCC2)=NC1=O	899341922	MWCJNPAIGJGJJH-CLFYSBASSA-N	277.353	1.271	10	20	CDCD	
C[C@@H](NC(=O)NC1CCNCC1)c1ccccc1O	891960837	BEEDMOBKBGFYJN-SNVBAGLBSA-N	263.341	1.504	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)NC[C@H]1C[C@@H](N)C1	891566926	UKLICIKERWUURP-XBXGTLAGSA-N	290.411	1.598	10	20	CDCD	
CN1CC[C@](O)(CNCc2c(O)cccc2Cl)C1	702602540	IKCHQWSZJGTXDM-ZDUSSCGKSA-N	270.760	1.202	10	20	CDCD	
CS(=O)(=O)C1(CNCc2cc(F)cc(F)c2O)CC1	708505074	XENFJJPQAOJGET-UHFFFAOYSA-N	291.319	1.337	10	20	CDCD	
CN(C)c1ccc(CNC[C@H]2[C@@H](C(=O)O)C2(F)F)cc1	715336102	VRQZOVFSZYIKFQ-RYUDHWBXSA-N	284.306	1.808	10	20	CDCD	
Oc1cccc(Cl)c1CNCCCN1CCOCC1	83551202	BXZPCZIYZJWPST-UHFFFAOYSA-N	284.787	1.858	10	20	CDCD	
C[C@H](CNCc1cc(F)ccc1O)S(C)(=O)=O	697631894	DFNONXCOMXWRHQ-MRVPVSSYSA-N	261.318	1.054	10	20	CDCD	
CN(Cc1ccccc1O)S(=O)(=O)CCC1CC1	92310539	ZPZUEOGVDLRBJT-UHFFFAOYSA-N	269.366	1.954	10	20	CDCD	
Cc1nnc2c(N(C)Cc3ccccc3O)nccn12	786793625	ORVAXZMKHLJLAP-UHFFFAOYSA-N	269.308	1.775	10	20	CDCD	
C[C@H](O)[C@@H](C)NCc1ccc(N2CCC(O)CC2)c(F)c1	1325843756	HDCCMMQYNYVKRQ-NEPJUHHUSA-N	296.386	1.646	10	20	CDCD	
Nc1ccc(CNC(=O)NCC2(CO)CCC2)cc1	1338793144	MQBSFHMNLOLOKA-UHFFFAOYSA-N	263.341	1.231	10	20	CDCD	
C[C@@]1(N)CCCC[C@H]1C(=O)NCc1ccc(N)cc1	1343567875	UIXBJIYUVXYQNV-DZGCQCFKSA-N	261.369	1.793	10	20	CDCD	
Cc1ccc(C(=O)N2CCC[C@@H]3C[C@@]32C(=O)O)c(O)c1O	1600334014	YCOBILVTBFZPCW-PSLIRLAXSA-N	291.303	1.486	10	20	CDCD	
Cc1cccc(O)c1CN1C[C@@H](C(=O)O)O[C@H](C)C1	1607858266	LUXRWCJAVWZBFU-MFKMUULPSA-N	265.309	1.375	10	20	CDCD	
Nc1ccc(Cc2noc([C@H]3C[C@H]3C(=O)O)n2)cc1	1601216138	PVOWUFPOWLWQMO-VHSXEESVSA-N	259.265	1.431	10	20	CDCD	
C[C@]1(NCc2c(O)cccc2Br)CCNC1	1576545384	LDZKAXOSNILKRM-LBPRGKRZSA-N	285.185	1.996	10	20	CDCD	
CC[C@@H](CNCc1c(O)cccc1OC)C(=O)O	1589552157	KVCDQBKECJHSON-VIFPVBQESA-N	253.298	1.601	10	20	CDCD	
CCOc1ccc(CNc2cnn(CC(=O)O)c2)c(O)c1	1592663461	XTORVTASWCKRCJ-UHFFFAOYSA-N	291.307	1.684	10	20	CDCD	
Cc1cc(C)c(O)c(CN(C)CC(=O)N2CCOCC2)c1	164315184	YQCMOCCLPQGEHX-UHFFFAOYSA-N	292.379	1.300	10	20	CDCD	
CNC(=O)CCCN(C)Cc1cc2c(cc1O)OCO2	156979430	SZRKWURKGPXFCN-UHFFFAOYSA-N	280.324	1.079	10	20	CDCD	
CC(C)[C@@H](N)CCN(C)C(=O)Cc1ccc(N)cc1	236746292	QNFLCXRYRTWQHZ-AWEZNQCLSA-N	263.385	1.643	10	20	CDCD	
CCS(=O)(=O)CCN(C)Cc1ccc(C)cc1O	876763998	JYULRJFGHXRFCV-UHFFFAOYSA-N	271.382	1.567	10	20	CDCD	
Cc1cccc(O)c1CNC[C@H]1CCCS(=O)(=O)C1	877533473	OTVCDZLIESQDDX-GFCCVEGCSA-N	283.393	1.615	10	20	CDCD	
C[C@H](NC[C@@]1(O)CCO[C@H]1C)c1cc(F)ccc1O	278730068	JCHNBXYDTOJYLR-BHDSKKPTSA-N	269.316	1.722	10	20	CDCD	
COC[C@@H]1CCCCN1C(=O)c1cccc(O)c1O	307765809	CFWJPHVBNMXNJD-JTQLQIEISA-N	265.309	1.739	10	20	CDCD	
CC(=O)N1CCC(C(=O)N(C)c2ccc(N)cc2)CC1	702123722	FVLWPNMACXYSFF-UHFFFAOYSA-N	275.352	1.490	10	20	CDCD	
Cc1n[nH]c(C)c1NC(=O)CN(C)Cc1ccccc1O	114721371	RLDWYXJXZNGKJI-UHFFFAOYSA-N	288.351	1.803	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2noc(C)n2)c1	123420097	ULTFAGLLWCGKGA-SSDOTTSWSA-N	277.280	1.583	10	20	CDCD	
C[C@H](NCCNC(=O)c1ccn[nH]1)c1ccccc1O	183720475	QPXSHQXYHXNVJO-JTQLQIEISA-N	274.324	1.196	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@@H]2CCCO2)c1	78726243	UEMUUTZMFMRDSA-LBPRGKRZSA-N	251.282	1.196	10	20	CDCD	
CCOC(=O)CN(Cc1ccccc1O)C[C@@H]1CCCO1	72952753	JBNBNAVZVBNOIY-AWEZNQCLSA-N	293.363	1.936	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NC[C@H]2CCOC2)cc1	42309540	PPQGMQNSGXCVMX-CYBMUJFWSA-N	277.368	1.588	10	20	CDCD	
CCOc1cccc(CN2C[C@@H](CO)O[C@H](C)C2)c1O	191525960	OPWKFOGHZPMMTG-YPMHNXCESA-N	281.352	1.373	10	20	CDCD	
O=C1CC(C(=O)NCc2ccc(N3CCOCC3)cc2)C1	136607165	QELXAHCVMPOOAR-UHFFFAOYSA-N	288.347	1.119	10	20	CDCD	
Cc1cccc(CN2CCS(=O)(=O)C[C@H](C)C2)c1O	192070705	AFHRVXWYWRJCGS-LLVKDONJSA-N	283.393	1.567	10	20	CDCD	
COCCN(CCO)Cc1ccc(N(C)C)cc1	93005445	KMIYSWYPOUWKDE-UHFFFAOYSA-N	252.358	1.193	10	20	CDCD	
Cc1ccc(O)c(CN2CCS(=O)(=O)C[C@H]2C)c1	179775121	XUPNJLIRYNQOCH-LLVKDONJSA-N	269.366	1.320	10	20	CDCD	
Cc1cc(O)c(CN2CCC3(C2)OCCO3)cc1C	93013167	VEMYKEIURUBRIV-UHFFFAOYSA-N	263.337	1.958	10	20	CDCD	
Cc1ccc(O)c([C@H](C)NC[C@@H]2COCCN2)c1	530223201	HFJFPOPZCRZGPN-NWDGAFQWSA-N	250.342	1.340	10	20	CDCD	
C[C@H](NC[C@]1(O)CCO[C@H]1C)c1ccccc1O	278878951	SIVNUPWJHPUDTH-COPLHBTASA-N	251.326	1.583	10	20	CDCD	
C[C@H](NCc1cnn(C)c1)c1cc([N+](=O)[O-])ccc1O	273362514	DFBRNAAZUXCSLO-VIFPVBQESA-N	276.296	1.885	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)NCC2(C)COC2)c1	273591893	PKOOCUMYCYCCNX-JTQLQIEISA-N	279.336	1.866	10	20	CDCD	
OCCN(Cc1ccccc1O)C1CCOCC1	275814836	DRQVDAFHRJOQKT-UHFFFAOYSA-N	251.326	1.366	10	20	CDCD	
CO[C@@H](C(=O)NCc1ccc(N(C)C)cc1)C1CC1	279731158	NRNVKPQUYSTNFT-CQSZACIVSA-N	262.353	1.794	10	20	CDCD	
CCCCN(Cc1ccccc1O)C(=O)c1cnn(C)n1	289014392	JLOWFRLFGPVKSV-UHFFFAOYSA-N	288.351	1.963	10	20	CDCD	
C[C@H](NC[C@H](CO)[C@H]1CCOC1)c1cc(F)ccc1O	280900050	PROYVQQRHZGBOH-SDDRHHMPSA-N	283.343	1.827	10	20	CDCD	
COCCn1cc(NC(=O)NCc2ccccc2O)cn1	299460309	BOHYVQKZDVURDU-UHFFFAOYSA-N	290.323	1.557	10	20	CDCD	
CCN(C)C(=O)CN(CC)c1ccc(OC)cc1	299337961	DMKNTEBJCHGJBY-UHFFFAOYSA-N	250.342	2.000	10	20	CDCD	
COc1ccc(O)c(CNC(=O)CSC(F)F)c1	825840757	WJFPCCRWMKNSQY-UHFFFAOYSA-N	277.292	1.973	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)C[C@H]1CCC(=O)N1	827955165	ACZCSYMWMRITDY-CYBMUJFWSA-N	289.379	1.346	10	20	CDCD	
CC[C@H](CO)N(C)Cc1ccc(N2CCN(C)CC2)cc1	824533740	MAYPICFAELJDJW-MRXNPFEDSA-N	291.439	1.641	10	20	CDCD	
C[C@@H]1[C@@H](C)[S@@](=O)CCN1C(=O)c1cc(O)cs1	736725623	WLEQXDNTBKOBER-ZEAWXOLYSA-N	273.379	1.435	10	20	CDCD	
O=C(O)CCCCNCc1ccc(N2CCOCC2)cc1	821521310	AVUMAZJHNIFSEL-UHFFFAOYSA-N	292.379	1.868	10	20	CDCD	
COc1ccc(CNC(=O)CCCCCCN)c(O)c1	832178402	QMOUERZQXSTUNT-UHFFFAOYSA-N	280.368	1.926	10	20	CDCD	
CC[C@H](C(=O)O)C(=O)N(C)Cc1ccccc1O	911231645	VJSVMJQTGWBXKU-JTQLQIEISA-N	251.282	1.461	10	20	CDCD	
C[C@H](CN)CNCc1ccc(N2CCOCC2)c(F)c1	841048693	KZKZRFFRAPPJOT-GFCCVEGCSA-N	281.375	1.347	10	20	CDCD	
C[C@H]1C[C@@H](C)O[C@H]1C(=O)NCc1ccc(O)cc1O	910946533	OYJLHKDCKOSVRK-IGJMFERPSA-N	265.309	1.528	10	20	CDCD	
CN(C)c1ccc([C@H](N)CNC(=O)[C@@H]2CCCCN2)cc1	841846188	KNCMVNWNYQTJAD-CABCVRRESA-N	290.411	1.011	10	20	CDCD	
NCC[C@@H](NCc1cc2c(cc1O)OCO2)C(F)(F)F	841090481	IQLSVSVUCTVUNZ-LLVKDONJSA-N	292.257	1.490	10	20	CDCD	
C[C@@H](CCN)NCc1ccc(N2CCOCC2)cc1	841051004	MFXVFKYPJQVNEJ-ZDUSSCGKSA-N	263.385	1.350	10	20	CDCD	
CON(CC(C)(C)C)C(=O)C(=O)Nc1ccc(N)cc1	841128349	SRPAJTGCZUQTMT-UHFFFAOYSA-N	279.340	1.643	10	20	CDCD	
COc1cccc([C@@H](C)NCC2(CC(N)=O)CC2)c1O	846173479	SHLIMEDGKZQXNW-SNVBAGLBSA-N	278.352	1.707	10	20	CDCD	
CC(C)(CN)NC(=O)NCCCSc1nccs1	841855521	AOCUHUCXNVXDGW-UHFFFAOYSA-N	288.442	1.662	10	20	CDCD	
COc1cccc(CNC(=O)N[C@@H]2COC[C@@H]2C)c1O	926005235	XKSAAHSPOMXVRN-GXSJLCMTSA-N	280.324	1.235	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)NC/C=C\CO)c1	850507453	GSIIEDCRKGWGMC-XOULXFPDSA-N	265.309	1.378	10	20	CDCD	
CC(=O)NCCCOC(=O)/C=C/c1ccc(O)c(O)c1	759579718	NZNXRVZNJDMHHO-GQCTYLIASA-N	279.292	1.180	10	20	CDCD	
C[C@@H](NC(=O)C(C)(C)O)c1ccc(N(C)C)cc1	757598880	SZEVNEXSZUXJII-SNVBAGLBSA-N	250.342	1.701	10	20	CDCD	
CCOCCOCCNCc1cc([N+](=O)[O-])ccc1O	922941995	SDORAKIXLOKVEV-UHFFFAOYSA-N	284.312	1.443	10	20	CDCD	
CCN1CC[C@H](N2CCOc3cc(N(C)C)ccc32)C1=O	851880611	DZKKQFIOIHSRPB-AWEZNQCLSA-N	289.379	1.572	10	20	CDCD	
O=C(NCc1ccccc1O)c1ncc2n1CCCC2	866755836	NBOIZNLSJRMUPR-UHFFFAOYSA-N	271.320	1.855	10	20	CDCD	
CCn1cc(C(=O)NCCCSc2nccs2)nn1	932684513	XRXUZCJXKYUGFZ-UHFFFAOYSA-N	297.409	1.667	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)C1(O)CCSCC1	767774088	JYDQTGSFYZAOAI-UHFFFAOYSA-N	297.376	1.015	10	20	CDCD	
CCOC(=O)c1[nH]ncc1/C=C1/SC(=S)NC1=O	1116247779	CGWLIUQAKMXGPK-ZZXKWVIFSA-N	283.334	1.075	10	20	CDCD	
CNC(=O)NC(=O)[C@@H](C)N[C@@H](C)c1ccc(N(C)C)cc1	774482024	DJSPVQNEWMPDKU-WDEREUQCSA-N	292.383	1.247	10	20	CDCD	
COC(=O)CN(C(=O)c1ccc(C)c(O)c1O)C1CC1	780961278	PZKXZAHCKLNVEA-UHFFFAOYSA-N	279.292	1.184	10	20	CDCD	
C[C@@H]1CN(Cc2ccc(N3CCC(O)CC3)cc2)C[C@H]1O	897681277	ZXQWNNGKNCBOKK-CXAGYDPISA-N	290.407	1.460	10	20	CDCD	
COCCOC1CN(Cc2cc(C)cc(OC)c2O)C1	894374100	DCNKMRDBFBFESA-UHFFFAOYSA-N	281.352	1.556	10	20	CDCD	
Cc1ccc(CNC[C@@H]2CCS(=O)(=O)C2)c(O)c1	83514555	XJEXZIKALTVOIE-NSHDSACASA-N	269.366	1.225	10	20	CDCD	
COc1ccc(CN2CCc3nn[nH]c3C2)c(O)c1OC	895474824	ZXGKUTCGMQODAG-UHFFFAOYSA-N	290.323	1.086	10	20	CDCD	
CCc1cccc(CNCC(=O)N(C)CC)c1O	691479978	IYWUGTRAVHYSCA-UHFFFAOYSA-N	250.342	1.523	10	20	CDCD	
C[C@@H](O)[C@@H](C)NCc1ccc(N2CCC(O)CC2)c(F)c1	1325843759	HDCCMMQYNYVKRQ-VXGBXAGGSA-N	296.386	1.646	10	20	CDCD	
C[C@@H](CN)CNCc1ccc(N2CCN(C)CC2)c(F)c1	1325272747	MUQSSWIAPIMJPD-ZDUSSCGKSA-N	294.418	1.262	10	20	CDCD	
CCc1nn(C)cc1C(=O)NCc1ccc(O)cc1O	1333357637	AGLRBLCNBPSGBZ-UHFFFAOYSA-N	275.308	1.324	10	20	CDCD	
O=C(O)CC[C@H](NCc1ccc2c(c1)CCO2)C(=O)O	1334090437	VPHNVXBIAGPPOD-NSHDSACASA-N	279.292	1.029	10	20	CDCD	
C[C@H](CCO)CNC(=O)NCc1ccc(N)cc1	1335724640	HMBVUZOPCZJSCS-SNVBAGLBSA-N	251.330	1.087	10	20	CDCD	
O=C(/C=C/c1nccs1)NCCc1ccc(O)c(O)c1	1351548537	BHTBUTONSDZKCQ-ONEGZZNKSA-N	290.344	1.926	10	20	CDCD	
COC[C@H](CN[C@H](C)c1cc(C(=O)O)ccc1O)OC	1606800029	CILAZTXTBSJCLS-KOLCDFICSA-N	283.324	1.402	10	20	CDCD	
Cc1cc(C)n([C@H](C)C(=O)NCc2cccc(O)c2O)n1	1548790771	JORUXKBHZVGGNU-LLVKDONJSA-N	289.335	1.789	10	20	CDCD	
COc1ccc(O)c(CN2C[C@H]3[C@H](N)CCC[C@H]3C2)c1	228538349	WNWKOKDBTLKUQM-NILFDRSVSA-N	276.380	1.960	10	20	CDCD	
C[C@@H]1CN(CC(C)(C)O)CCN1Cc1ccc(N)cc1	1576801319	RXWJKHPGWDCCKG-CYBMUJFWSA-N	277.412	1.546	10	20	CDCD	
CCOC[C@H](C)CS(=O)(=O)NCc1ccc(N)cc1	1578102560	VDRVIESYRSAALK-NSHDSACASA-N	286.397	1.361	10	20	CDCD	
CCNS(=O)(=O)CCN[C@H](C)c1cc(C)ccc1O	230666859	BAXAGYAAEWHWNP-LLVKDONJSA-N	286.397	1.291	10	20	CDCD	
NC(=O)[C@@H](F)C1CCN(Cc2ccc(N)cc2)CC1	1580085179	VDIXEFGNVREFDW-ZDUSSCGKSA-N	265.332	1.304	10	20	CDCD	
C[C@@H](N[C@H](C)C1(CO)CC1)c1cc(C(=O)O)ccc1O	1593198301	PYLJOFDCPMVUHA-NXEZZACHSA-N	279.336	1.902	10	20	CDCD	
Cc1nn(C)cc1/C=C1/SC(=S)N(CC(=O)O)C1=O	166627851	MNLCRCGZAUAHKY-FPYGCLRLSA-N	297.361	1.014	10	20	CDCD	
CC[C@@H](C)NC(=O)[C@H](C)NC(=O)Cc1ccc(N)cc1	153667431	HGRKHTGASXWKIN-MNOVXSKESA-N	277.368	1.231	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)CNC1CC1	154677118	WOQPJUIKMWCEBK-UHFFFAOYSA-N	275.352	1.230	10	20	CDCD	
CN(Cc1cc(Cl)ccc1O)C[C@@H]1COCCO1	827141564	UMUIRWHETDJVKC-GFCCVEGCSA-N	271.744	1.893	10	20	CDCD	
COc1cccc(CN2CCn3cnnc3C2)c1O	156047207	FRYPIVYPANRMOQ-UHFFFAOYSA-N	260.297	1.008	10	20	CDCD	
CC(C)CNC(=O)CNCc1ccc(N(C)C)cc1	71122532	KJJMWBAWEVLBOE-UHFFFAOYSA-N	263.385	1.614	10	20	CDCD	
Cc1ccc(O)c(CNC2CCN(S(C)(=O)=O)CC2)c1	71407152	BZJQCHWDTJAGOW-UHFFFAOYSA-N	298.408	1.214	10	20	CDCD	
COC[C@H](CCO)NCc1cc(F)cc(F)c1O	708454648	QEXZNHIHLUZFBN-JTQLQIEISA-N	261.268	1.157	10	20	CDCD	
C[C@H](NC[C@@H]1CNC(=O)C1)c1ccc(N(C)C)cc1	398350884	ZSJNTGAJNXYMNY-NWDGAFQWSA-N	261.369	1.539	10	20	CDCD	
Oc1c(Br)cccc1CN[C@H]1C[C@@H](O)C1	825257097	VNQRKLBNKBHCHO-DTORHVGOSA-N	272.142	1.768	10	20	CDCD	
COc1ccc(O)c(CN[C@@H](C)[C@H](CO)SC)c1	224856914	LPSUYZHFQSZJCF-ZANVPECISA-N	271.382	1.603	10	20	CDCD	
CCc1nnsc1C(=O)NCc1cc(OC)ccc1O	114541639	INPBPRYOIBHWIL-UHFFFAOYSA-N	293.348	1.745	10	20	CDCD	
COCCCN(CCO)Cc1cccc(OC)c1O	188934899	FJFWFPMSRPYIJD-UHFFFAOYSA-N	269.341	1.232	10	20	CDCD	
CN1CCCc2cc(CNC(=O)c3cnn(C)c3)ccc21	123932132	QKHCUWRPNFOFFK-UHFFFAOYSA-N	284.363	1.733	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)c1cccc2nn[nH]c12	182725223	WWNPXYCNZNWKHH-UHFFFAOYSA-N	282.303	1.936	10	20	CDCD	
COc1cc(C)cc(CN2CCC(C(N)=O)CC2)c1O	125449575	VZTNVQBCALBCGJ-UHFFFAOYSA-N	278.352	1.407	10	20	CDCD	
COc1cc(O)c(CN2C[C@@H](C)[C@H](CO)C2)cc1OC	191721539	DZZRHBGCBLAWDK-PWSUYJOCSA-N	281.352	1.470	10	20	CDCD	
CCO[C@@H]1C[C@H](NCc2ccccc2O)[C@H]1OC	252838247	BLSVNOCUBCEFNF-IACUBPJLSA-N	251.326	1.674	10	20	CDCD	
COC1(C)CN(c2ccc(/C=C\C(=O)O)cc2[N+](=O)[O-])C1	382911395	OMAUKSSGJXRKFB-XQRVVYSFSA-N	292.291	1.918	10	20	CDCD	
C[C@H](CO)SCC(=O)N(C)Cc1ccc(N(C)C)cc1	298260842	KUQWZMQQRBDKTE-GFCCVEGCSA-N	296.436	1.825	10	20	CDCD	
CNC(=O)[C@H]1CCCN1Cc1ccc(N(C)C)c(C)c1	293510138	OHIDBQLCQYOTOF-OAHLLOKOSA-N	275.396	1.771	10	20	CDCD	
C[C@@H](CO)SCC(=O)N(C)Cc1ccc(N(C)C)cc1	298260845	KUQWZMQQRBDKTE-LBPRGKRZSA-N	296.436	1.825	10	20	CDCD	
COc1cccc(CN2CC[C@@H](OC(=O)N(C)C)C2)c1O	295124862	NTVXABGPUHFNNL-GFCCVEGCSA-N	294.351	1.673	10	20	CDCD	
CC[C@@H](NC[C@H]1CNCCO1)c1ccc(F)cc1O	817983965	SQCUOYNFBBJWSI-DGCLKSJQSA-N	268.332	1.560	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NC2(CCO)CC2)cc1	814306654	FLVGMZLDOATARW-UHFFFAOYSA-N	277.368	1.467	10	20	CDCD	
O=C(O)[C@@H]1CN(Cc2cc(Cl)cc(F)c2O)CCO1	821512707	MZCOQMLIETYFBL-JTQLQIEISA-N	289.690	1.470	10	20	CDCD	
CN(C)c1ccc(Cn2nccc2NS(C)(=O)=O)cc1	727243098	ZCWOTGPSQITLRE-UHFFFAOYSA-N	294.380	1.369	10	20	CDCD	
COc1ncc(/C=C/C(=O)N2CCc3ccncc32)cn1	492692470	YVQRJBIYQWFCFW-NSCUHMNNSA-N	282.303	1.483	10	20	CDCD	
C[C@H](O)CNC[C@H](c1ccc(N(C)C)cc1)N(C)C	905703278	HKSAPIVTIRQPIZ-SWLSCSKDSA-N	265.401	1.326	10	20	CDCD	
C[C@@H](O)CNC[C@@H](c1ccc(N(C)C)cc1)N(C)C	905703276	HKSAPIVTIRQPIZ-DOMZBBRYSA-N	265.401	1.326	10	20	CDCD	
C[C@H](Oc1cccnc1)C(=O)NCc1ccccc1O	735516523	UBCDDNGMRWYEQG-NSHDSACASA-N	272.304	1.871	10	20	CDCD	
O=C(c1cc(O)cs1)N1CC[C@H](O)C12CCCC2	832850087	DRCIICJLANKRAG-NSHDSACASA-N	267.350	1.973	10	20	CDCD	
Cc1noc(C2CN(Cc3cc(F)ccc3O)C2)n1	839131324	RXRGPPBBBTWWIC-UHFFFAOYSA-N	263.272	1.822	10	20	CDCD	
COc1cc(O)c(CN[C@@H]2CCC[C@@H](N)C2)cc1OC	841058111	PSZNMEPSEZKMBW-VXGBXAGGSA-N	280.368	1.769	10	20	CDCD	
CSC[C@H](O)CN(C)c1ccc(OCC(=O)O)cc1	846280517	ZQSCTJIPUWNOOI-LLVKDONJSA-N	285.365	1.310	10	20	CDCD	
NS(=O)(=O)CCCSc1ncc(Cl)s1	849998641	HNCSERYQCLSUNX-UHFFFAOYSA-N	272.804	1.567	10	20	CDCD	
O=C(CN1CCCCCC1=O)NCc1ccc(O)cc1O	910956809	FOPMOFPXQNLELX-UHFFFAOYSA-N	292.335	1.117	10	20	CDCD	
C[C@@H](N[C@@H](CO)CCF)c1cc([N+](=O)[O-])ccc1O	846210379	ZKGMJVANNKWIMI-RKDXNWHRSA-N	272.276	1.672	10	20	CDCD	
NC(=O)[C@@H]1CC[C@@H]1C(=O)NCc1cc(Cl)ccc1O	848242300	BGHHOYODUFUMBA-ZJUUUORDSA-N	282.727	1.173	10	20	CDCD	
OC[C@H]1C[C@H](NCc2ccc(N3CCC(O)CC3)cc2)C1	923005630	OOWXODYHXKPMTO-SHTZXODSSA-N	290.407	1.508	10	20	CDCD	
COC[C@H]1C[C@@H](O)CN1Cc1ccc(N(C)C)c(F)c1	846052058	ADUUAMLLEXDMIU-CHWSQXEVSA-N	282.359	1.473	10	20	CDCD	
CCN1CC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1	1016368282	NMCHUXMYIMBJKM-GFCCVEGCSA-N	289.339	1.673	10	20	CDCD	
O=C(NCc1ccccc1O)NC[C@H](C(=O)O)C1CCC1	854234406	FVYMBOMLPUODKW-LBPRGKRZSA-N	292.335	1.692	10	20	CDCD	
CCCNC(=O)[C@H](C)OC(=O)c1ccc(C)c(O)c1O	750618237	ASUUDUOGOYEXPT-VIFPVBQESA-N	281.308	1.478	10	20	CDCD	
CNC[C@@H](C)NC(=O)N[C@H](C)c1cc(OC)ccc1O	851681018	LYBKIFXPRLSZBD-NXEZZACHSA-N	281.356	1.369	10	20	CDCD	
C[C@H](CCO)NCc1ccc(N2CCC(O)CC2)cc1	850568404	WZFHZSJOANIOMW-CYBMUJFWSA-N	278.396	1.508	10	20	CDCD	
CNC(=O)[C@@H]1CCC[C@H]1NC(=O)NCc1ccccc1O	765782305	NINKJBFHZAVWDF-VXGBXAGGSA-N	291.351	1.106	10	20	CDCD	
CCO[C@H](CCN(C)C)CNC(=O)c1cc(O)cs1	768229156	DESQNGGVIUFZTQ-LLVKDONJSA-N	286.397	1.540	10	20	CDCD	
CNC(=O)C(C)(C)CNC(=O)N[C@H](C)c1ccccc1O	868425534	ABHOLZUAHLUUJI-SNVBAGLBSA-N	293.367	1.525	10	20	CDCD	
CCOc1cccc(CN(CC)CC(=O)NC)c1O	132623089	OAIPASJXFWCVGV-UHFFFAOYSA-N	266.341	1.359	10	20	CDCD	
C[C@@H]1OCCN(Cc2cc3c(cc2O)OC[C@@H]3O)[C@@H]1C	768463375	SHOBXWBXPMSRKO-BFVZDQMLSA-N	279.336	1.427	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)NCCOC1CCC1	779526365	SEANEYUDIBFDEY-ALCCZGGFSA-N	277.320	1.796	10	20	CDCD	
COCC1(NCc2cc(OC)c(OC)cc2O)CC1	776251614	OLFQHTCQQOOPEE-UHFFFAOYSA-N	267.325	1.678	10	20	CDCD	
COc1cccc(O)c1CN1CC[C@H](O)[C@@H](C)C1	779199752	KVJLTWNMIZSBJH-JQWIXIFHSA-N	251.326	1.604	10	20	CDCD	
CCOC(=O)c1cnc(NCc2ccccc2O)cn1	777742250	FONGNMBUSXDHQP-UHFFFAOYSA-N	273.292	1.971	10	20	CDCD	
CC[C@@H](NCCN1CCNC1=O)c1ccc(N(C)C)cc1	886743051	RUZCHGBXOGBQHH-OAHLLOKOSA-N	290.411	1.819	10	20	CDCD	
C=CC(=O)N1CCCN(c2ccc(OC)cc2)CC1	1120553104	UNRZCJLIBCBXHR-UHFFFAOYSA-N	260.337	1.920	10	20	CDCD	
C[C@H](CN1CCOCC1)OC(=O)c1cc(O)cs1	782274046	FSXAGJLXFZNPKH-SECBINFHSA-N	271.338	1.331	10	20	CDCD	
Cc1nccn1CCCC(=O)NCc1ccc(N)cc1	1122536289	XUONBZDTLYNIHP-UHFFFAOYSA-N	272.352	1.870	10	20	CDCD	
C[C@@H](NC(=O)NC[C@H]1CCCNC1)c1ccccc1O	891979514	PRJJHGHRLUYHJI-NEPJUHHUSA-N	277.368	1.752	10	20	CDCD	
CCN(CC)C(=O)CNCc1ccc(OC)c(OC)c1O	892721383	MDUHHUOHHRTBDY-UHFFFAOYSA-N	296.367	1.367	10	20	CDCD	
O=S(=O)(C[C@@H]1CCCCO1)NCc1ccccc1O	269675196	FCDKKJHCSNNGKQ-LBPRGKRZSA-N	285.365	1.381	10	20	CDCD	
C[C@@H](O)CN(Cc1ccccc1O)C[C@@H]1CCCO1	192994967	IHIJWOLEYFPOIR-OCCSQVGLSA-N	265.353	1.754	10	20	CDCD	
COC[C@H](CO)NCc1ccc(Br)cc1O	691464455	RDCBAULTARHEOE-JTQLQIEISA-N	290.157	1.252	10	20	CDCD	
COc1cccc(O)c1CNCCC[C@H](C)CO	758579291	KEFXMPXQMPFBTD-NSHDSACASA-N	253.342	1.899	10	20	CDCD	
CN1CCN(c2ccc(CNc3cc(N)ncn3)cc2)CC1	1156658187	URXCAVWPLIZDFI-UHFFFAOYSA-N	298.394	1.423	10	20	CDCD	
CN(C)C(=O)OCCOC(=O)/C=C/c1ccc(O)c(O)c1	1320491565	NYUQKYGBZDNGOE-GQCTYLIASA-N	295.291	1.352	10	20	CDCD	
CN1CCC[C@@H](CCNC(=O)NCc2ccc(N)cc2)C1	1335571086	UBMBSECYLJUREE-AWEZNQCLSA-N	290.411	1.800	10	20	CDCD	
O=C(O)[C@H](C[C@H]1CCCO1)NCc1ccccc1O	1601640374	BOCSAICTYWYKEY-NEPJUHHUSA-N	265.309	1.504	10	20	CDCD	
Cc1ccc(C(=O)Nc2cc(C(=O)O)n(C)n2)c(O)c1O	1600343001	MIGIBIGXMOWXJK-UHFFFAOYSA-N	291.263	1.090	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1C[C@@H](O)C[C@@H](C(=O)O)C1	1600236146	APSFDKMNDSRJPJ-HIFRSBDPSA-N	292.379	1.328	10	20	CDCD	
C[C@@H](NCCc1ccnn1C)c1cc(C(=O)O)ccc1O	1609779581	MVURUYDQOQXGRL-SNVBAGLBSA-N	289.335	1.717	10	20	CDCD	
Cn1cnc(/C=C/C(=O)N2CCCc3cc(N)ccc32)c1	1579982884	XWRRGHNIECMXPU-FNORWQNLSA-N	282.347	1.995	10	20	CDCD	
COCCOC[C@@H](C)N[C@H](C)c1cc(C(=O)O)ccc1O	1599248917	ACNPNDIFBDOXKR-GHMZBOCLSA-N	297.351	1.793	10	20	CDCD	
COC[C@@H](CC(=O)O)NCc1cc(F)cc(F)c1O	1777228650	SQWASPWEIICKCV-SECBINFHSA-N	275.251	1.250	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2cncc(F)c2)c1	150787651	ZZMUFDPTJDGTHA-UHFFFAOYSA-N	276.267	1.865	10	20	CDCD	
O=C(NCCCSc1nccs1)c1cc[nH]c(=O)c1	153671162	KCMCQONAXVURMS-UHFFFAOYSA-N	295.389	1.744	10	20	CDCD	
NC(=O)[C@H]1CCN(Cc2cccc(Br)c2O)C1	157159229	PJFMGSYIAIYVBH-VIFPVBQESA-N	299.168	1.462	10	20	CDCD	
COc1cccc(O)c1CN1C[C@H]2[C@H](N)CCC[C@H]2C1	843059005	BZOKWDWYVDYOCO-OUCADQQQSA-N	276.380	1.960	10	20	CDCD	
CC[C@@]1(C(=O)NCc2ccc(N(C)C)cc2)CCCN1	128980398	SDDCEMAWQPQJCZ-INIZCTEOSA-N	275.396	1.901	10	20	CDCD	
Cc1ccc(CN2CC[C@H](C(=O)N(C)C)C2)c(O)c1	877588614	UNULZOCLBGGJSE-ZDUSSCGKSA-N	262.353	1.611	10	20	CDCD	
CC(C)[C@@H]1NCC[C@@H]1C(=O)N(C)Cc1ccccc1O	289561381	LAHHIRWOCQLBMZ-ZFWWWQNUSA-N	276.380	1.985	10	20	CDCD	
COc1cc(Cl)cc(CN[C@@H]2CCOC[C@H]2O)c1O	706733395	HCLBCEQQEJZDFO-GHMZBOCLSA-N	287.743	1.294	10	20	CDCD	
COc1ccc(O)c(CNC[C@@]2(C)CCOC2)c1	397304559	PPJQFVXDNSRUDM-CQSZACIVSA-N	251.326	1.917	10	20	CDCD	
C[C@@H](NC(=O)C(=O)N1CCC1)c1ccc(N(C)C)cc1	1346751285	BVXQOKVIBJPOKN-LLVKDONJSA-N	275.352	1.162	10	20	CDCD	
CN1C[C@H](NCc2cc(Cl)ccc2O)CC1=O	310395402	LWPGMBJWIHPMBJ-SNVBAGLBSA-N	254.717	1.366	10	20	CDCD	
Oc1cccc(Cl)c1CN1C[C@@H]2CNC[C@H]2C1	128344153	OQTFDKYTENSPBV-UWVGGRQHSA-N	252.745	1.697	10	20	CDCD	
COc1cccc(CN2CCCC3(C2)OCCO3)c1O	184719980	JGKDWFCQTHDLHN-UHFFFAOYSA-N	279.336	1.740	10	20	CDCD	
COc1cccc(CN2CCC[C@@H](CN)C2)c1O	44527626	YYNGQCWJSZVZKN-NSHDSACASA-N	250.342	1.572	10	20	CDCD	
CCCNC(=O)CN(C)c1ccc(OC)cc1OC	132079059	YMNBUDWUPUTWBN-UHFFFAOYSA-N	266.341	1.666	10	20	CDCD	
CS(=O)(=O)CCNCc1c(O)cccc1Cl	83552270	FYHVPMILEUCIDO-UHFFFAOYSA-N	263.746	1.180	10	20	CDCD	
CCOc1cccc(CN2CCC[C@H](CC(N)=O)C2)c1O	93808766	CCOCILMYCNEZHH-GFCCVEGCSA-N	292.379	1.878	10	20	CDCD	
C[C@]1(C(=O)NCCc2ccc(N)cc2)CCCNC1	237761401	JYVZNAZRQSARLH-HNNXBMFYSA-N	261.369	1.317	10	20	CDCD	
O=c1cc2c(n[nH]1)CCN(Cc1cc(F)ccc1O)C2	274915892	KYLLVCQCEMGRKX-UHFFFAOYSA-N	275.283	1.173	10	20	CDCD	
COC(=O)[C@H]1COCCN1Cc1cccc(C)c1O	271707950	GEEDCNHPHSWBGV-GFCCVEGCSA-N	265.309	1.074	10	20	CDCD	
C[C@@H]1CN(Cc2ccc(N(C)C)cc2)CC[S@](=O)C1	277459173	LFWLEMQSZTWYFR-YJYMSZOUSA-N	280.437	1.953	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NCCC2(O)CCC2)cc1	285361688	WQSLEVSKCKVSPM-UHFFFAOYSA-N	291.395	1.857	10	20	CDCD	
C[C@@H](NCC(=O)NCC(F)F)c1ccc(F)c(F)c1O	280181539	AFTHTDCMROHIIE-ZCFIWIBFSA-N	294.248	1.702	10	20	CDCD	
CC[C@@H](NCCS(=O)(=O)NC)c1ccc(C)cc1O	280082925	LVPFZEKWQOPVTB-GFCCVEGCSA-N	286.397	1.291	10	20	CDCD	
CCN(CC(=O)NCCC(=O)OC)c1ccc(OC)cc1	299333767	CQFLTELTTYGAAP-UHFFFAOYSA-N	294.351	1.201	10	20	CDCD	
CO[C@@](C)(C(=O)OCC(=O)c1ccc(O)c(O)c1)C1CC1	812660907	BDKADBOBWZTDME-OAHLLOKOSA-N	294.303	1.639	10	20	CDCD	
O=C(N[C@@H]1COc2ccccc2[C@@H]1O)c1cc(O)cs1	811575634	NVNSOTCEHGAGKX-MFKMUULPSA-N	291.328	1.678	10	20	CDCD	
CN(C[C@@H]1CCCN1C)C(=O)/C=C\c1ccc(O)c(O)c1	817676304	CXTAXASIWIERBJ-WOLRVDTOSA-N	290.363	1.664	10	20	CDCD	
COC[C@](C)(CO)NCc1cc(Cl)c(C)cc1O	825429842	PMNQJBRQWSSVJU-ZDUSSCGKSA-N	273.760	1.841	10	20	CDCD	
CC[C@](C)(CC(=O)O)NCc1cc2c(cc1O)OCO2	828664676	FKOVBSPDKWHZMQ-CQSZACIVSA-N	281.308	1.854	10	20	CDCD	
COC(=O)c1cnc(S[C@@H](C(N)=O)C(C)C)s1	829680854	GGQPKNVIUFKIHE-SSDOTTSWSA-N	274.367	1.532	10	20	CDCD	
CC[C@@H](CS(=O)(=O)Nc1ccc(O)cc1OC)OC	901704310	PYJZOXALEDFNSB-JTQLQIEISA-N	289.353	1.568	10	20	CDCD	
CC[C@@](C)(NC(=O)NCc1ccc(N(C)C)cc1)C(=O)O	908759074	XWHSGFVTGWIMCQ-OAHLLOKOSA-N	293.367	1.805	10	20	CDCD	
CCO[C@H]1CCN(Cc2cc3c(cc2O)OC[C@@H]3O)C1	902528919	SUCJJDJVVATVMT-FZMZJTMJSA-N	279.336	1.429	10	20	CDCD	
O=C(O)CCc1nc(COC(=O)c2cc(O)cs2)no1	739769217	NVZOSCMAVIXEAQ-UHFFFAOYSA-N	298.276	1.211	10	20	CDCD	
NC(=O)[C@@H](OC(=O)c1cc(O)cs1)c1ccc(F)cc1	732352735	DMNUEEYIILWWIU-NSHDSACASA-N	295.291	1.976	10	20	CDCD	
CN(C)c1ccc([C@@H](N)CNC(=O)C2CCC2)cc1	832293367	VOTALYUXEXYDGD-AWEZNQCLSA-N	261.369	1.669	10	20	CDCD	
CCOC(=O)[C@H](CC)C(=O)NCc1cc(OC)ccc1O	839685698	XHKNXHYUSXBGDT-GFCCVEGCSA-N	295.335	1.606	10	20	CDCD	
CCc1nocc1C(=O)NCc1cc(OC)ccc1O	830544178	METMFSHRHJRFDP-UHFFFAOYSA-N	276.292	1.881	10	20	CDCD	
CCNCCCNC(=O)N(C)Cc1ccccc1O	841918135	SMWBSMKDFKWQKU-UHFFFAOYSA-N	265.357	1.533	10	20	CDCD	
CS(=O)(=O)C1CN(Cc2c(O)ccc(Cl)c2F)C1	841887390	LYNQTIIIIPLHNI-UHFFFAOYSA-N	293.747	1.414	10	20	CDCD	
Cn1cccc1C(=O)NCc1ccc(N2CCOCC2)cc1	919766570	GFTMIAOYBYQRGF-UHFFFAOYSA-N	299.374	1.792	10	20	CDCD	
CC[C@H](C)[C@H](CNC(=O)C(=O)Nc1ccc(N)cc1)OC	841135352	GTMHOZRECRVDEP-GWCFXTLKSA-N	293.367	1.385	10	20	CDCD	
CC(=O)N[C@@H](C)C(=O)NCc1cc(Cl)ccc1O	846479068	IAIRVNMWXRCAMY-ZETCQYMHSA-N	270.716	1.186	10	20	CDCD	
CCc1cccc(CN[C@H](COC)C(=O)OC)c1O	848906685	XHCGNQOSIAKYKF-GFCCVEGCSA-N	267.325	1.232	10	20	CDCD	
CC[C@@H](C)[C@H](CNC(=O)C(=O)Nc1ccc(N)cc1)OC	841135354	GTMHOZRECRVDEP-MFKMUULPSA-N	293.367	1.385	10	20	CDCD	
CC(C)NCC(=O)NCCCSc1nccs1	852805755	KUBKMWMIVSSXRE-UHFFFAOYSA-N	273.427	1.740	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)NCCOCCF	852715746	WEVFVYKUTWEDGX-UHFFFAOYSA-N	297.374	1.880	10	20	CDCD	
C[C@@H](NC(=O)NC[C@@H]1CCN1C)c1ccc(N(C)C)cc1	922055263	OGTAQPLCLBKDRX-DOMZBBRYSA-N	290.411	1.817	10	20	CDCD	
CCN(C)c1ccc(CN(C)Cc2cn(C)nn2)cc1	852552902	IOOPUGJYGDYUAB-UHFFFAOYSA-N	273.384	1.903	10	20	CDCD	
O=C(c1c(F)ccc(O)c1O)N1CC[C@@H]2C[C@H]2C1	857331442	WTQFXZDEQHNOSM-SFYZADRCSA-N	251.257	1.719	10	20	CDCD	
C[C@H](NCCn1cccn1)c1cc([N+](=O)[O-])ccc1O	756683624	GNEYITLSPXBRTQ-JTQLQIEISA-N	276.296	1.848	10	20	CDCD	
COc1cccc(CN[C@H]2CCCC[C@@H]2O)c1O	51991445	ZNQKEXFMNJIXGY-RYUDHWBXSA-N	251.326	1.794	10	20	CDCD	
CCc1ncncc1C(=O)NCc1cc(C)ccc1O	862758740	JBGXXSWKUJUUQV-UHFFFAOYSA-N	271.320	1.983	10	20	CDCD	
CC[C@@H]1CN(Cc2cc3c(cc2O)OC[C@H]3O)CCO1	768441869	PTHWYVRUQWGSOU-BXUZGUMPSA-N	279.336	1.429	10	20	CDCD	
O=[N+]([O-])c1cc(Cl)cc(CN[C@H]2CCC[C@@H]2O)c1O	865736694	NQEOMOPLNGDISW-ONGXEEELSA-N	286.715	1.957	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)CNC(=O)C(C)(C)C)c1	862761522	RHUBGEZYBMVJTA-UHFFFAOYSA-N	278.352	1.479	10	20	CDCD	
COc1coc(COC(=O)c2cc(O)cs2)cc1=O	761150477	SKESSIIFAVPIQK-UHFFFAOYSA-N	282.273	1.773	10	20	CDCD	
C[C@H](NC(=O)NCC(=O)N(C)C)c1ccc(N(C)C)cc1	773128518	DRGJTWATIXQRKB-NSHDSACASA-N	292.383	1.201	10	20	CDCD	
COc1ccc(N(CC(=O)O)CC(=O)NCCCF)cc1	872959669	IBLABLOPLAZQKS-UHFFFAOYSA-N	298.314	1.062	10	20	CDCD	
CCOC[C@H](O)CN1CCCc2cc(OC)ccc21	771619704	PKTCWLWGLBZBOW-CYBMUJFWSA-N	265.353	1.845	10	20	CDCD	
C[C@@H](NCc1nnc2n1CCOC2)c1ccccc1O	1116761897	TTZYRGVIURRIID-SNVBAGLBSA-N	274.324	1.365	10	20	CDCD	
CCOC1(C(=O)N(C)c2ccc(N)cc2)CCOCC1	877075015	YIQHNUINVMWDQS-UHFFFAOYSA-N	278.352	1.817	10	20	CDCD	
C[C@@]1(NC(=O)/C=C\c2ccc(O)c(O)c2)CCCOC1	779546645	ZLBGXKNBJUQUCK-ZDTYVGOBSA-N	277.320	1.796	10	20	CDCD	
Cc1ccc(C(=O)N(CCO)CC2CC2)c(O)c1O	780985849	IIZLJWINVFOSHM-UHFFFAOYSA-N	265.309	1.251	10	20	CDCD	
CCC[C@@H](O)[C@@H](CO)NCc1cc(F)cc(F)c1O	883145768	MWEWMOQQZQYYOZ-VXGBXAGGSA-N	275.295	1.282	10	20	CDCD	
COc1ccc(CN[C@H](C)C[C@H](C)O)c(O)c1OC	893505455	MRNAWQMNHPVPGN-ZJUUUORDSA-N	269.341	1.658	10	20	CDCD	
COC1(CC(=O)OCC(=O)c2ccc(O)c(O)c2)CCC1	784926427	UTIHKJMBSXFXDU-UHFFFAOYSA-N	294.303	1.783	10	20	CDCD	
COc1cc(C)cc(CN2[C@@H](C)[C@@H](C)NC(=O)[C@H]2C)c1O	895123025	WHELVTCRTOVQCE-GRYCIOLGSA-N	292.379	1.807	10	20	CDCD	
c1cc(N2CCOCC2)ccc1CN[C@@H]1CCOC1	88687595	BPYICTRRALLIEA-CQSZACIVSA-N	262.353	1.402	10	20	CDCD	
COc1ccc(CN[C@H](C)[C@@H]2CCOC2)c(O)c1OC	893070373	HTJSRYSBTOXGTA-ZYHUDNBSSA-N	281.352	1.924	10	20	CDCD	
O=C(NC[C@H](CO)Cc1ccco1)c1cccc(O)c1O	790528328	RJVJUXVPOUPOMM-SNVBAGLBSA-N	291.303	1.272	10	20	CDCD	
CCOC(=O)c1nc(NC(=O)c2cccc(O)c2O)c[nH]1	793964714	ULQFQDDZQNRFIY-UHFFFAOYSA-N	291.263	1.250	10	20	CDCD	
COCCN1CC[C@@H](NCc2cc(Cl)ccc2O)C1	730818411	UTKPVWAWHXBRMY-CYBMUJFWSA-N	284.787	1.856	10	20	CDCD	
O=C(Cc1ccc2c[nH]nc2c1)NCc1ccc(O)c(O)c1	793690238	SQXBSVMGSGGYBL-UHFFFAOYSA-N	297.314	1.833	10	20	CDCD	
COCCO[C@@H]1CCN(Cc2c(O)cccc2OC)C1	783714800	DGZUFHKGAMUUSB-GFCCVEGCSA-N	281.352	1.638	10	20	CDCD	
NC(=O)C[C@@H]1CCN(Cc2ccc(N3CCCC3)cc2)C1	1323759461	IVHFCERZJPDBJB-HNNXBMFYSA-N	287.407	1.984	10	20	CDCD	
CCCCN(CC)C(=O)C(=O)N(C)Cc1ccccc1O	1328251868	WHLADOHVQLFSCA-UHFFFAOYSA-N	292.379	1.999	10	20	CDCD	
C[C@@]1(C(N)=O)CCN(Cc2ccc(N3CCCC3)cc2)C1	1256340604	SVVWJQPRFWAXQM-QGZVFWFLSA-N	287.407	1.984	10	20	CDCD	
C[C@H]1CCN(C(=O)NCc2ccc(N)cc2)[C@H]1CO	1335738258	YALCHWFAGJZLOW-GWCFXTLKSA-N	263.341	1.181	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)NC1CC2(CC(N)C2)C1	1338793464	PVKDVEDMKHJSTL-UHFFFAOYSA-N	289.379	1.804	10	20	CDCD	
COC[C@H](CCO)N[C@@H](C)c1ccc(N(C)C)cc1	223946799	TUFVLEZMEODTEK-JSGCOSHPSA-N	266.385	1.801	10	20	CDCD	
CN(C(=O)CC[C@@H]1C[C@H](C(=O)O)CO1)c1ccc(N)cc1	1605961677	NMCKJUPEXZVPQZ-GXFFZTMASA-N	292.335	1.502	10	20	CDCD	
O=C1NN(c2ccccc2)C(=O)/C1=C/c1cc(C(=O)O)co1	1610885128	IZRJKDYYZRLJFN-KPKJPENVSA-N	298.254	1.439	10	20	CDCD	
C[C@@H](NCCCCCO)c1cccc(-c2nn[nH]n2)c1O	1589963418	WWEKHHBBZGOBIV-SNVBAGLBSA-N	291.355	1.386	10	20	CDCD	
C[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)C(=O)O	1589062776	LZXCWVHYXUSDIF-ZETCQYMHSA-N	278.268	1.300	10	20	CDCD	
CC[C@@H](C)NC(=O)COc1ccc(N(C)C)c(C(=O)O)c1	1594992335	TZHZMBSJYHUCAB-SNVBAGLBSA-N	294.351	1.744	10	20	CDCD	
C[C@@H](NC[C@@H]1COCCO1)c1cc(C(=O)O)ccc1O	1593257895	VERBYJHCMCAQRX-MWLCHTKSSA-N	281.308	1.156	10	20	CDCD	
CC(=O)N1CCCN(Cc2cccc(C)c2O)CC1	124522700	PWJFWZDELNKZAV-UHFFFAOYSA-N	262.353	1.755	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)[C@H]1CC1(Cl)Cl	159043992	ODJCUJPDHWDRSF-SSDOTTSWSA-N	276.119	1.908	10	20	CDCD	
CCCCS(=O)(=O)CC(=O)Nc1ccc(N)cc1	36333457	QVCDLBYYWNZFSM-UHFFFAOYSA-N	270.354	1.422	10	20	CDCD	
CO[C@@H]1CCN(Cc2ccccc2O)[C@@H](C(=O)O)C1	902031167	HWZQPPAGTINHJM-VXGBXAGGSA-N	265.309	1.456	10	20	CDCD	
C[C@@H](NCc1cc(F)ccc1O)[C@H](O)C(F)(F)F	877693907	UEMUAJXNAAFXAF-LDWIPMOCSA-N	267.222	1.933	10	20	CDCD	
CCN1CCN(Cc2cc(OC)ccc2O)C[C@H]1C	250355019	RZCSHLBXRQIYCT-GFCCVEGCSA-N	264.369	1.927	10	20	CDCD	
CNC(=O)C(C)(C)CN[C@@H](C)c1cc(F)ccc1O	186224119	BMWVUPAEVMLQPD-VIFPVBQESA-N	268.332	1.954	10	20	CDCD	
COc1ccc(N2CCCN(CCCCO)CC2)cc1	303381096	RNOGDHWHMPFLTF-UHFFFAOYSA-N	278.396	1.980	10	20	CDCD	
CCOc1cccc(CN(C)CCNC(C)=O)c1O	308199850	UKPMMUZJSNOYES-UHFFFAOYSA-N	266.341	1.359	10	20	CDCD	
Cc1ccc(O)c([C@H](C)N[C@@H]2CCCN(C)C2=O)c1	704339054	IHGIBBXIFDQHJI-WCQYABFASA-N	262.353	1.972	10	20	CDCD	
COC[C@@](C)(O)CN[C@H](C)c1cc(OC)ccc1O	382544465	CJACSTMKOQSRBE-YGRLFVJLSA-N	269.341	1.449	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NCC(F)F)cc1	174154871	GDMFXLITDABBRT-UHFFFAOYSA-N	257.284	1.817	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1cc[nH]n1	115279926	MQXBSACRQLXEIZ-UHFFFAOYSA-N	258.325	1.714	10	20	CDCD	
COc1ccc(O)c(CN2CCCC[C@@H]2C(N)=O)c1	179581592	SNZFFHMTUZTVET-GFCCVEGCSA-N	264.325	1.241	10	20	CDCD	
C[C@@H](C(=O)NCc1cccc(O)c1O)N1[C@H](C)CC[C@H]1C	1348048639	VYKVYZPATFJBQY-UTUOFQBUSA-N	292.379	1.975	10	20	CDCD	
COc1cccc(CNc2nc(C)nc3c2cnn3C)c1O	171046063	WHUPXYOUAOHDFR-UHFFFAOYSA-N	299.334	1.998	10	20	CDCD	
CN(Cc1ccc(N2CCOCC2)cc1)C[C@H]1CCOC1	78449724	GJHIXSPEKJCQFY-MRXNPFEDSA-N	290.407	1.992	10	20	CDCD	
Cc1ccc(C(=O)N[C@H]2CCN(C(C)C)C2=O)c(O)c1O	182450665	UJMZIJJFJRMYOP-NSHDSACASA-N	292.335	1.145	10	20	CDCD	
Cc1ccc(C(=O)NCc2nccs2)c(O)c1O	182068292	ATXIJFGENREMSS-UHFFFAOYSA-N	264.306	1.793	10	20	CDCD	
CNC(=O)[C@H]1CCCN(Cc2cc(F)ccc2O)C1	180145341	PVGIVOHBLKLMMO-JTQLQIEISA-N	266.316	1.489	10	20	CDCD	
CC[C@H](OC)C(=O)NCc1ccc(N(C)C)cc1	49446708	JNYRYYXTBZVUPH-ZDUSSCGKSA-N	250.342	1.794	10	20	CDCD	
CON(C)C(=O)NCc1ccc(N2CC=CC2)cc1	192382113	VIWLQYHYNYBJIR-UHFFFAOYSA-N	261.325	1.766	10	20	CDCD	
O=[N+]([O-])c1cc(Cl)cc(CN2CC[C@@H](CO)C2)c1O	92763584	ORKOFWYFCFTVJP-MRVPVSSYSA-N	286.715	1.768	10	20	CDCD	
CO[C@H]1CN(Cc2cc(Cl)ccc2O)C[C@H]1OC	234862473	QCTHWXZNNNBJOA-BETUJISGSA-N	271.744	1.891	10	20	CDCD	
Cc1ccc(C(=O)N2CC[S@](=O)C[C@H](C)C2)c(O)c1O	277706839	WIZQNIPURYXVHU-YBYGRFCBSA-N	297.376	1.247	10	20	CDCD	
CCOC1CC(O)(CNCc2cc(F)ccc2O)C1	278634198	IKDLHKCRUYCWSV-UHFFFAOYSA-N	269.316	1.551	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2CCN(C)CC2)c1O	278223540	LXWNROMDKVWBQT-UHFFFAOYSA-N	281.312	1.056	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)[C@H]1CSCCS1	270571192	YZKCBLGSQWVZEF-GFCCVEGCSA-N	299.417	1.605	10	20	CDCD	
Cc1cc(NS(=O)(=O)c2cn(C)nc2C)ccc1O	288533051	OITHGRAOOJZXEE-UHFFFAOYSA-N	281.337	1.543	10	20	CDCD	
O=C1NCCN1[C@H]1CCCN(Cc2cc(F)ccc2O)C1	378501564	TUEQBOYSMCSZET-ZDUSSCGKSA-N	293.342	1.521	10	20	CDCD	
C[C@@H](NCCN(C)C)c1ccc(N2CCOCC2)c(F)c1	287183168	VJKIDHDPIACPOA-CYBMUJFWSA-N	295.402	1.875	10	20	CDCD	
Cc1cc(Cn2nnc(-c3ccncn3)n2)ccc1N(C)C	294920811	CGPOVBARXKWHDS-UHFFFAOYSA-N	295.350	1.553	10	20	CDCD	
CCCN1CC[C@H](CNC(=O)NCc2ccccc2O)C1	299507712	NESCWCUJNUAFNK-CYBMUJFWSA-N	291.395	1.923	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNC[C@@H](OC)C2CC2)c1O	293768266	YHSVHQIAGFJOFH-GFCCVEGCSA-N	296.323	1.824	10	20	CDCD	
Oc1c(Cl)cccc1CN[C@@H]1CCc2nnnn2CC1	817419013	OCQBMYDLEYBTDU-SNVBAGLBSA-N	293.758	1.527	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)NC[C@@H](N)C(C)C)c1	817958406	JMQJQNYXACZMDN-GXFFZTMASA-N	280.368	1.813	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1CCCN(C=O)CC1	827867040	APVLMRMRLGLETL-UHFFFAOYSA-N	275.396	1.725	10	20	CDCD	
CCOC(=O)[C@@H](CC1CC1)NC(=O)c1cc(O)cs1	829603594	KZRIQRGIRQFDBZ-SNVBAGLBSA-N	283.349	1.915	10	20	CDCD	
CN1C(=O)/C(=C/c2c[nH]c(C(=O)O)c2)SC1=S	830893671	AVIFSTZWWJYDLH-CLTKARDFSA-N	268.319	1.544	10	20	CDCD	
O=S(=O)(C[C@@H]1CCCO1)Nc1ccc(O)c(F)c1F	830184971	SWCSEJBJLZXBGX-ZETCQYMHSA-N	293.291	1.591	10	20	CDCD	
CC(C)[C@H](NC(=O)O)C(=O)NCc1ccccc1O	736370359	OUNJLKGGBGAMHO-NSHDSACASA-N	266.297	1.301	10	20	CDCD	
CN(C)c1ccc([C@H](N)CNC(=O)c2ccco2)cc1	832285214	PSTMSHKCDAEMOO-CYBMUJFWSA-N	273.336	1.775	10	20	CDCD	
CC(=O)[C@@H]1C[C@H](C(=O)NCc2ccc(O)cc2O)C1(C)C	910947532	GNIUAENXWNZXQL-QWHCGFSZSA-N	291.347	1.965	10	20	CDCD	
CN(C)C(=O)[C@@H]1CCN(Cc2c(O)ccc3ccncc23)C1	840173692	FFFHPKBHZZOXHM-CYBMUJFWSA-N	299.374	1.851	10	20	CDCD	
CN(CCCN)Cc1ccc(N2CCOCC2)cc1	841004599	UMRJNNHTNIXTGY-UHFFFAOYSA-N	263.385	1.304	10	20	CDCD	
COCCOC[C@H]1CCN(C(=O)c2cc(O)cs2)C1	743750092	GHTLQKUBQXVPDP-JTQLQIEISA-N	285.365	1.579	10	20	CDCD	
COc1cccc(CN[C@H]2CCN(CC(F)F)C2)c1O	841893438	FBKODBXWSFMVPG-NSHDSACASA-N	286.322	1.830	10	20	CDCD	
NCc1ccc2c(c1)CCCN2CC[C@@H]1CCNC1	843350732	UEPUNUKJNZUEGI-ZDUSSCGKSA-N	259.397	1.898	10	20	CDCD	
CCOc1ccc(CN2CCO[C@H]([C@@H](C)N)C2)c(O)c1	843057038	FOBBUMIEQGLBFN-ABAIWWIYSA-N	280.368	1.339	10	20	CDCD	
COc1cc(CNC(=O)NCc2ccccc2O)ccn1	748461546	ZRXZQDIJDJCDHY-UHFFFAOYSA-N	287.319	1.795	10	20	CDCD	
CC1=CCN(C(=O)C(=O)Nc2ccc(N)cc2)CC1	841074964	JJROEYVPVGPZCV-UHFFFAOYSA-N	259.309	1.386	10	20	CDCD	
C[C@H](CN)NC(=O)c1csc(Cc2ccc(N)cc2)n1	841850029	UTACRVVLMCVHIJ-SECBINFHSA-N	290.392	1.393	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2NC(=O)O[C@@H]2C)c1	841404577	GTTXDLWNXQHQIO-JOAULVNJSA-N	294.307	1.075	10	20	CDCD	
C[C@@H](O)[C@@H](O)CN(C)Cc1ccc(N2CCCCC2)cc1	929185622	WFJWGUSJQUSOOS-PBHICJAKSA-N	292.423	1.850	10	20	CDCD	
COc1ccc(CNC(=O)NCCOCCF)c(O)c1	852714752	JQVRITOPFVDPKH-UHFFFAOYSA-N	286.303	1.186	10	20	CDCD	
C[C@]1(CNC(=O)NCc2ccccc2O)CCCO1	755230750	NXFWDAXFHFKTQV-CQSZACIVSA-N	264.325	1.761	10	20	CDCD	
OCCN(CCO)Cc1cc(-c2ccccc2)ccc1O	862429407	GLDCWODYLHLLOU-UHFFFAOYSA-N	287.359	1.846	10	20	CDCD	
COc1cccc(O)c1CN1CC[S@@](=O)C[C@H](C)C1	763646832	COYWJUMGMHMFED-NSPYISDASA-N	283.393	1.601	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)CC1(O)CCC1	935945875	NVNOFEANKJZPIA-UHFFFAOYSA-N	284.352	1.799	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)CS(=O)(=O)C(C)(C)C)c1	862758184	RTNDEEGQKXVVEN-UHFFFAOYSA-N	299.392	1.530	10	20	CDCD	
CCN(CC)CCOC(=O)/C=C/c1ccc(O)c(O)c1	772207521	OQFVKMJNLDLSOH-SOFGYWHQSA-N	279.336	1.996	10	20	CDCD	
CCN(C)c1ccc(CN2CCS(=O)(=O)CC2)cc1	773747541	IAIMJDNNGPTOPO-UHFFFAOYSA-N	282.409	1.373	10	20	CDCD	
COCCN(C)C(=N)NCc1cccc(OC)c1O	871604138	VIQVUTNKKWYOOF-UHFFFAOYSA-N	267.329	1.003	10	20	CDCD	
COc1ccc(N2CCC(N3C(=O)CNC3=O)CC2)cc1	777634778	ZHAUXHMNQOKDLM-UHFFFAOYSA-N	289.335	1.216	10	20	CDCD	
CC1(OCC(=O)NCc2ccc(O)c(O)c2)CCC1	778913708	BGTHXDVHKKKOKR-UHFFFAOYSA-N	265.309	1.673	10	20	CDCD	
COc1cc(C)cc(CNCCS(=O)(=O)C2CC2)c1O	894992559	AGXOMPXXCDBJCC-UHFFFAOYSA-N	299.392	1.376	10	20	CDCD	
CCc1nncn1CCN[C@@H](C)c1ccccc1O	783515767	AXVMCBQPENJUMX-NSHDSACASA-N	260.341	1.897	10	20	CDCD	
NC(=O)[C@@H]1CCCN(Cc2cc(F)cc(F)c2O)C1	893863770	NTXLOHXMFMQEPC-MRVPVSSYSA-N	270.279	1.368	10	20	CDCD	
CC[C@H](NCc1nnn(C)n1)c1ccc(N(C)C)cc1	787032863	SNRAYOYWTOLZEL-ZDUSSCGKSA-N	274.372	1.517	10	20	CDCD	
CC[C@@H]1CC[C@H](C(=O)NCCc2ccc(N)cc2)O1	269144346	AMICSNXYZYAMHQ-ZIAGYGMSSA-N	262.353	1.885	10	20	CDCD	
COc1ccc(CN[C@@H]2CC[C@H]2O)c(O)c1OC	895014361	UBCFIPWTVJGREY-NXEZZACHSA-N	253.298	1.022	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N2CC[C@H]2CO)cc1	891605691	BZMQXQJCOCALOR-ZDUSSCGKSA-N	263.341	1.029	10	20	CDCD	
Nc1ccc(CNC(=O)c2n[nH]c3c2CCCC3)cc1	713745626	VTMNNHFBNVVWGE-UHFFFAOYSA-N	270.336	1.801	10	20	CDCD	
CC[C@@H](C)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	765979152	IXVMSUIKINEGAO-CYBMUJFWSA-N	296.436	1.810	10	20	CDCD	
CO[C@@H]1COC[C@@H]1NCc1ccc(N2CCCC2)cc1	1325021963	PHGKGGNBQFQYIB-JKSUJKDBSA-N	276.380	1.790	10	20	CDCD	
C[C@H](N)[C@@H]1CCCCN1C(=O)NCc1ccc(N)cc1	1337020187	ZPHBSQIICFECHO-FZMZJTMJSA-N	276.384	1.680	10	20	CDCD	
CCCCn1nnnc1N(C)Cc1ccccc1O	1351011081	UWDBWDBDRCUXBL-UHFFFAOYSA-N	261.329	1.815	10	20	CDCD	
CC(=O)[C@@H]1C[C@H](C(=O)NCc2cccc(O)c2O)C1(C)C	1350300204	NZEZDNXHWJXDNK-NWDGAFQWSA-N	291.347	1.965	10	20	CDCD	
CO[C@]1(CN[C@@H](C)c2cc(F)ccc2O)CCOC1	123188761	GOKXDYXFVMDGFI-HZMBPMFUSA-N	269.316	1.987	10	20	CDCD	
CO[C@@H](C)[C@H](C)N[C@@H](C)c1cccc(-c2nn[nH]n2)c1O	1591323934	GMKMCCCSFZLUIB-GUBZILKMSA-N	291.355	1.646	10	20	CDCD	
CCOCC[C@H](NCc1cc([N+](=O)[O-])ccc1O)C(=O)O	1776900916	CSCUBCXYKPAMMM-NSHDSACASA-N	298.295	1.270	10	20	CDCD	
C[C@H](CC[S@](C)=O)NCc1cc2c(cc1O)OCO2	125561588	KNYOMDZVZUDCGJ-AYLIAGHASA-N	285.365	1.368	10	20	CDCD	
C[C@@H](NC[C@H]1CCCNC1=O)c1ccc(N(C)C)cc1	838935109	AMSNMPZFOZCWRK-TZMCWYRMSA-N	275.396	1.929	10	20	CDCD	
C[C@@H]1OCC[C@@]1(O)CNCc1ccc2c(c1)CCCO2	922074082	RGICJZZEPLVBDY-BLLLJJGKSA-N	277.364	1.641	10	20	CDCD	
CC[C@H](C)[C@H](NCc1ccc(OC)c(C)c1)C(N)=O	931762685	ZWPMSHXANZKCLT-HZMBPMFUSA-N	264.369	1.993	10	20	CDCD	
CN1CCN(Cc2ccc(Br)cc2O)CC1	258167916	RIXQATBDHHRGHV-UHFFFAOYSA-N	285.185	1.902	10	20	CDCD	
CN(C[C@@H]1CCOC1)C(=O)c1cccc(O)c1O	193127572	LRTCSJDXDKBHMW-VIFPVBQESA-N	251.282	1.206	10	20	CDCD	
CC(=O)NCCCCCC(=O)NCc1ccc(N)cc1	700720547	ZTZJFCPVAFEQSX-UHFFFAOYSA-N	277.368	1.582	10	20	CDCD	
CNC(=O)CCCN[C@H](C)c1ccc(C)cc1O	398446296	LJKODIAUSUDAPE-LLVKDONJSA-N	250.342	1.877	10	20	CDCD	
CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc(C)c(O)c1O	177677054	OMZHSFGPVCHSAH-NXEZZACHSA-N	294.351	1.439	10	20	CDCD	
CC[C@H]1C[C@@H](C(=O)NCc2cccc(O)c2O)CCO1	1347233314	ICVKPBDNRFTITE-JQWIXIFHSA-N	279.336	1.919	10	20	CDCD	
C[C@H]1CN(C(=O)c2cccc(O)c2O)[C@@H](C)CO1	126259362	PEHMQPPUCXUBQV-IUCAKERBSA-N	251.282	1.347	10	20	CDCD	
CN1CCN(Cc2cc(Cl)cc(Cl)c2O)CC1=O	127362881	KUTJZOVGSBFGTF-UHFFFAOYSA-N	289.162	1.973	10	20	CDCD	
Cc1ccc(C(=O)N[C@H](C)c2cnn(C)c2C)c(O)c1O	181943394	RAUIRVXYUURJEO-SECBINFHSA-N	289.335	1.939	10	20	CDCD	
CC[C@H](O)[C@H]1CCCCN1C(=O)c1cccc(O)c1O	912119392	PDPZARGLIKJCOI-NEPJUHHUSA-N	279.336	1.863	10	20	CDCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)NC2CCCC2)c1	48923546	URQDVEGSJAQONQ-UHFFFAOYSA-N	298.364	1.436	10	20	CDCD	
CN(C)C[C@](C)(O)CNCc1ccc(N(C)C)c(F)c1	131525002	FKLZACSJNLJMKJ-OAHLLOKOSA-N	283.391	1.294	10	20	CDCD	
CN(Cc1ccccc1O)C[C@@H](O)CN(C)C1CC1	289325943	HABVBELQOACRMW-CQSZACIVSA-N	264.369	1.279	10	20	CDCD	
O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1CCCNC1	195171531	DSTFYYWAIJXPNK-OAHLLOKOSA-N	287.407	1.903	10	20	CDCD	
CCn1nncc1CNCc1cc2c(cc1O)OCO2	527725126	CVLOZCGGCYXCOW-UHFFFAOYSA-N	276.296	1.022	10	20	CDCD	
C[C@@H]1O[C@H](C)[C@H](C(=O)NCc2ccc(O)c(O)c2)[C@@H]1C	528859782	FXSQBCCLUOBAPY-QOBXEIRBSA-N	279.336	1.774	10	20	CDCD	
COc1cccc(CNC(=O)NC[C@H]2CCCN2C)c1O	266711101	IAYBFNPEPFIANN-GFCCVEGCSA-N	293.367	1.294	10	20	CDCD	
COc1ccc(O)c(CN2CC[C@H]([C@H](C)O)C2)c1	272584322	YQWHEKXWSYLHRK-QWRGUYRKSA-N	251.326	1.604	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)[C@@H](C)CC(N)=O	283375078	JSOJXSAJPJWEKO-NSHDSACASA-N	278.352	1.642	10	20	CDCD	
Cc1cc(Cl)cc(CNC[C@H]2CC[C@@H](CO)O2)c1O	293850513	HSYLGIQVNZTBQY-OLZOCXBDSA-N	285.771	1.984	10	20	CDCD	
CCCn1ncnc1COC(=O)c1cc(O)cs1	801261958	DQHDJHOVUYLTOQ-UHFFFAOYSA-N	267.310	1.812	10	20	CDCD	
C[C@H](NCC1(CC(N)=O)CC1)c1ccc(F)cc1O	817584923	AYPQDBSAKKSQTJ-VIFPVBQESA-N	266.316	1.838	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NCCNC2CC2)c1	817953991	UOPOXQFFYDMWLN-SNVBAGLBSA-N	250.342	1.803	10	20	CDCD	
COC[C@H](O)CNCc1ccc(N2CC=CC2)cc1	819096187	YREICVPBIFHDLJ-OAHLLOKOSA-N	262.353	1.160	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N2CCO[C@H]3C[C@@H]32)cc1	813560723	LDODGNSFGVYTIF-KBPBESRZSA-N	275.352	1.435	10	20	CDCD	
CN1CCCc2cc(CNC(=O)[C@H](N)C3CCC3)ccc21	827913752	KQJFJFZKBQDMJU-MRXNPFEDSA-N	287.407	1.813	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H](C)C2(CO)CC2)c1O	826991272	YCSFYZLRZFUQEU-VIFPVBQESA-N	296.323	1.560	10	20	CDCD	
CC(C)(C)[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)O	833425372	YEHYOPVQXFRNOP-VGVVRCBHSA-N	293.319	1.727	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2ncccn2)c1	735858677	YSVZPSHQVWVTJB-SECBINFHSA-N	273.292	1.682	10	20	CDCD	
CCN1C[C@@H](N[C@@H](C)c2cc(F)cc(F)c2O)CC1=O	834890731	PBBCAAICPHGWJP-WPRPVWTQSA-N	284.306	1.942	10	20	CDCD	
COC(=O)[C@H]1C[C@H](O)CN(Cc2ccc(N(C)C)cc2)C1	830865548	NYVJCDMIACWOTR-ZFWWWQNUSA-N	292.379	1.108	10	20	CDCD	
CCOc1cccc(CNC[C@@H]2CCCNC2)c1O	841032553	GTVHHDHGSUDOFH-GFCCVEGCSA-N	264.369	1.880	10	20	CDCD	
CNC(=O)CCCN[C@@H](C)c1cccc(OC)c1O	846141717	MXZCCDWRERCYOM-JTQLQIEISA-N	266.341	1.578	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1[C@@H]2CNC[C@@H]21	841824805	UNTWPWVVHTVJNE-FICVDOATSA-N	288.395	1.078	10	20	CDCD	
CN1CCCC[C@H]1C(=O)NCc1ccc(O)cc1O	910950936	LPJCWCQNDRLLLE-LBPRGKRZSA-N	264.325	1.198	10	20	CDCD	
COc1cc(O)c(CN2C[C@@H](CN)C[C@@H]2C)cc1OC	843057856	MNFMNHSFAJHDEH-WDEREUQCSA-N	280.368	1.579	10	20	CDCD	
COc1cccc([C@H](C)N[C@@H](C)C[S@](C)=O)c1O	846162623	IOKMJZRLNBOJCM-RAALSFIWSA-N	271.382	1.818	10	20	CDCD	
O=C1C[C@H](C(=O)NCc2cc(Cl)ccc2O)CCN1	846476294	NAHBNMUEYUUKLL-MRVPVSSYSA-N	282.727	1.188	10	20	CDCD	
C[C@@H](CNCc1ccc(N(C)C)c(F)c1)C(=O)O	848637294	DXZZXWVVCSLZMP-VIFPVBQESA-N	254.305	1.702	10	20	CDCD	
C[C@H](NC[C@@H]1COCCO1)c1cc([N+](=O)[O-])ccc1O	756433765	HIKSJZHZZBCVHZ-GXSJLCMTSA-N	282.296	1.366	10	20	CDCD	
COc1cccc(CNC(=O)NCC2(N)CCCC2)c1O	851671830	VBZDIAXUFFXDTG-UHFFFAOYSA-N	293.367	1.472	10	20	CDCD	
C[C@H]1[C@H](N(C)C)CCN1C(=O)c1c(F)ccc(O)c1O	857270065	NCEOOURYDHOLEM-WCBMZHEXSA-N	282.315	1.402	10	20	CDCD	
COc1ccc(N(C)CCN(C)C[C@@H]2CCC(=O)O2)cc1	852211527	MJUIAYWBINCTRY-HNNXBMFYSA-N	292.379	1.769	10	20	CDCD	
CCN(CC)c1ccc(CN(CCO)CCO)cc1	862429451	IHPTXKZPMDSQGP-UHFFFAOYSA-N	266.385	1.319	10	20	CDCD	
CC(=O)c1cc(F)cc(CN(C)[C@@]2(CO)CCOC2)c1O	763882456	UFAKTNSAUQGOJA-OAHLLOKOSA-N	297.326	1.317	10	20	CDCD	
CN1CCC[C@H](OC(=O)c2cc(O)cs2)C1=O	778801799	AIWQAVQCUXHKAC-QMMMGPOBSA-N	255.295	1.231	10	20	CDCD	
CCOc1ccc(O)c(CN2C[C@@H]3CNC[C@@H]3C2)c1	770394717	LGTZSHMVQHDSPZ-BETUJISGSA-N	262.353	1.442	10	20	CDCD	
Cc1ccc(C(=O)N2C[C@H](O)C[C@@H]2C)c(O)c1O	788543474	XZDREPOPHAILCI-DTWKUNHWSA-N	251.282	1.002	10	20	CDCD	
CCc1cccc(CN2C[C@H](O)C[C@@]2(C)CO)c1O	895326508	YOROORSXBULVHD-HIFRSBDPSA-N	265.353	1.272	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2C[C@@H](O)[C@H](C)C2)c1O	897679709	KXKHNTXPXOHPPS-LDYMZIIASA-N	282.296	1.122	10	20	CDCD	
COC(=O)N1CCCN(Cc2ccccc2O)CC1	1203549917	CRSLXCDQYLOCNV-UHFFFAOYSA-N	264.325	1.666	10	20	CDCD	
C[S@@](=O)C1(CNC(=O)/C=C\c2ccc(O)c(O)c2)CC1	799775665	HYRWRSWAWNUAEE-MNKBLEIRSA-N	295.360	1.138	10	20	CDCD	
CC[C@@H](C)[C@](C)(O)CNC(=O)c1cccc(O)c1O	790759163	GJSFOIJRESQTSE-YMTOWFKASA-N	267.325	1.625	10	20	CDCD	
O[C@@H]1COCC[C@H]1NCc1ccc(N2CCCC2)cc1	706789171	JTHMLTMEZCHAMO-HZPDHXFCSA-N	276.380	1.526	10	20	CDCD	
CCOc1cccc(CNC[C@](C)(O)COC)c1O	69911832	GGWCECUADFSZJM-AWEZNQCLSA-N	269.341	1.278	10	20	CDCD	
CCc1cccc(CN2CCN(S(C)(=O)=O)CC2)c1O	692105855	NKSJWVIFTVYAOW-UHFFFAOYSA-N	298.408	1.032	10	20	CDCD	
C[C@H](NC(=O)NCCCCN)c1ccc(N(C)C)cc1	1325366679	NYLSBJMGCITYEX-LBPRGKRZSA-N	278.400	1.852	10	20	CDCD	
CC1(C)[C@@H](NC(=O)NCc2ccc(N)cc2)C[C@H]1O	1335736724	GYLHHHBYUONWFL-NWDGAFQWSA-N	263.341	1.227	10	20	CDCD	
C[C@@H]1CCN(C(=O)NCc2ccc(N)cc2)[C@H]1CO	1335738260	YALCHWFAGJZLOW-MFKMUULPSA-N	263.341	1.181	10	20	CDCD	
C[C@@H](CC(C)(C)O)NC(=O)NCc1ccc(N)cc1	1335738330	ZWGRDFKETCMLNH-JTQLQIEISA-N	265.357	1.618	10	20	CDCD	
Nc1ccc(CNC(=O)N[C@H]2CCCc3c[nH]nc32)cc1	1262597256	JRQJEXXMQXLWID-ZDUSSCGKSA-N	285.351	1.869	10	20	CDCD	
CC(C)(C)C[C@@H](O)CNC(=O)NCc1ccc(N)cc1	1262603780	VAZVPSXDUJFLDN-CYBMUJFWSA-N	279.384	1.865	10	20	CDCD	
CCN(CC)c1ccc(CN2C[C@@H](O)C[C@H]2C(=O)O)cc1	1605434884	HRFCWXXMEUOHFZ-GJZGRUSLSA-N	292.379	1.553	10	20	CDCD	
O=C(O)/C=C\c1ccc(N2CC[C@H]2CO)c([N+](=O)[O-])c1	1601881170	ORDGCTMMYYBBFV-GQPNGRKGSA-N	278.264	1.264	10	20	CDCD	
CN(C)c1ccc(CN2CCCNC[C@H]2C(=O)O)cc1	1606054299	RNTMANHSUGMNMS-AWEZNQCLSA-N	277.368	1.001	10	20	CDCD	
C[C@@H](NCC1(N)CCC1)c1cc(C(=O)O)ccc1O	1609780077	SLBCWXKANRHZMR-SECBINFHSA-N	264.325	1.622	10	20	CDCD	
CCN(C)c1ccc(CN2C[C@@H](O)C[C@@H](C(=O)O)C2)cc1	1596194494	OAZWIRANUSEWES-HIFRSBDPSA-N	292.379	1.410	10	20	CDCD	
Cc1cc(Cl)cc(CNC[C@](C)(O)C(=O)O)c1O	1594308125	MBLBPFIJUXDDJZ-LBPRGKRZSA-N	273.716	1.279	10	20	CDCD	
Nc1ccc(CC(=O)N[C@H]2CCNC3(CCC3)C2)cc1	843508254	UDKXNRODMFFHPH-AWEZNQCLSA-N	273.380	1.602	10	20	CDCD	
CCN(Cc1cc(OC)ccc1O)[C@H]1CCS(=O)(=O)C1	179562305	CZSJHWJKKJUCCD-LBPRGKRZSA-N	299.392	1.410	10	20	CDCD	
CCc1cccc(CNC[C@H]2CCS(=O)(=O)C2)c1O	709431855	NTTKNOSMOPQAJH-LLVKDONJSA-N	283.393	1.479	10	20	CDCD	
CCC[C@@H](CCO)NC(=O)c1cccc(O)c1O	716949794	UYJZOKYKZZZHJX-VIFPVBQESA-N	253.298	1.379	10	20	CDCD	
CC(=O)N[C@@H](C(=O)N[C@H](C)c1ccccc1O)C(C)C	827922984	GLMXQSXYKCNFHW-QMTHXVAHSA-N	278.352	1.730	10	20	CDCD	
CCOC[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1	69276356	MUSVMXQEAPKQCE-HNNXBMFYSA-N	294.395	1.215	10	20	CDCD	
CO[C@H]1COCC[C@H]1CNC(=O)NCc1ccc(N)cc1	1346648283	MGHSHSCWIMCPJD-JSGCOSHPSA-N	293.367	1.120	10	20	CDCD	
COc1ccc(CNC(=O)NC[C@@H]2CCOC2)c(O)c1	1348385187	SOBBRQUENWAGNO-JTQLQIEISA-N	280.324	1.237	10	20	CDCD	
CN(CC(=O)NC1CC1)Cc1cc(F)ccc1O	179889021	WHCNIFHJDUGVQL-UHFFFAOYSA-N	252.289	1.242	10	20	CDCD	
Cn1cnnc1[C@@H]1CCCN1Cc1cc(F)ccc1O	180227794	QHLRBFSPNFCUBF-LBPRGKRZSA-N	276.315	1.997	10	20	CDCD	
COc1ccc(N2CCN(CCCNC(C)=O)CC2)cc1	41980950	XRMDHFQZMRUUGE-UHFFFAOYSA-N	291.395	1.343	10	20	CDCD	
CCOc1ccc(O)c(CN2CCCN(CC)C(=O)C2)c1	191545024	STABMHQMZUTZDF-UHFFFAOYSA-N	292.379	1.845	10	20	CDCD	
CN(C)c1ccc(CN(C)C2(CO)CCOCC2)cc1	193579213	AZGCXFFVHVNNMA-UHFFFAOYSA-N	278.396	1.726	10	20	CDCD	
CNC(=O)[C@@H](C)CN(C)Cc1cc(F)ccc1O	180253691	AAVOPJDYFCCKFR-VIFPVBQESA-N	254.305	1.345	10	20	CDCD	
Cc1nc([C@@H]2COCCN2Cc2ccccc2O)no1	369473671	XCBDZPHDENLYII-LBPRGKRZSA-N	275.308	1.657	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@H]2C[C@]23CCNC3)cc1F	372445539	KEWCIIBDISKLES-WBMJQRKESA-N	291.370	1.508	10	20	CDCD	
CCOc1cccc(CNC[C@@H](CO)[C@H]2CCOC2)c1O	280346584	RXVZSJPUMVPPRC-KBPBESRZSA-N	295.379	1.526	10	20	CDCD	
COc1cc(O)c(CNC[C@@H](CO)C(C)C)cc1OC	809724106	WCIAGSSZLZRAIR-LBPRGKRZSA-N	283.368	1.764	10	20	CDCD	
CO[C@@](C)(CNC(=O)c1cc(O)cs1)C1CC1	812598461	DODZHHAZWBLGJH-LBPRGKRZSA-N	255.339	1.999	10	20	CDCD	
Cc1ccc(O)c(CN2C[C@H](CO)OC(C)(C)C2)c1	817413526	YSIAUBNGFMHLDU-CYBMUJFWSA-N	265.353	1.672	10	20	CDCD	
CCN(C)c1ccc(CN(C)CCOCCO)cc1	815110445	WGIWUHWZXUWZQW-UHFFFAOYSA-N	266.385	1.583	10	20	CDCD	
CC1(C)CN(Cc2cc3c(cc2O)OCO3)C[C@H](CO)O1	817413551	YWFQQNCIHUJXSR-LLVKDONJSA-N	295.335	1.093	10	20	CDCD	
CN(Cc1ccc(N2CCOCC2)cc1)CC(C)(C)CO	824630185	KLTURLYXFQAJJQ-UHFFFAOYSA-N	292.423	1.974	10	20	CDCD	
CCOc1ccc(O)c(CN(C)CCC(=O)O)c1	820386930	AVKQYBSOCHQWIZ-UHFFFAOYSA-N	253.298	1.697	10	20	CDCD	
CCN(C[C@@H](O)Cn1cccn1)c1ccc(OC)cc1	730080228	UIUXFGDWGVCGTB-CQSZACIVSA-N	275.352	1.779	10	20	CDCD	
CC[C@H](NC(=O)c1cc(O)cs1)[C@H](O)C(C)C	839866919	HDCIAEHBBUZXJT-GXSJLCMTSA-N	257.355	1.979	10	20	CDCD	
CC[C@@H](CNC(=O)NCc1c(O)cccc1F)C(=O)O	1343134715	RBVOJKYIKKLTPD-QMMMGPOBSA-N	284.287	1.441	10	20	CDCD	
CN(C)C(=O)COC1CN(Cc2ccc(N(C)C)cc2)C1	839138895	WMNLFCXOUSJYRM-UHFFFAOYSA-N	291.395	1.042	10	20	CDCD	
O=S(=O)(Nc1ccc(O)c(F)c1F)N1CCCC1	830184403	DCEFJQYRMMLPFV-UHFFFAOYSA-N	278.280	1.423	10	20	CDCD	
CCc1cccc(CN2CCNC(=O)C2(C)C)c1O	848885649	LRIHYHHYFIQYGO-UHFFFAOYSA-N	262.353	1.665	10	20	CDCD	
COCCOC[C@H](C)NCc1cccc(OC)c1O	742376784	HFUWXPXCDSJNHS-NSHDSACASA-N	269.341	1.542	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H](C)CCCN)c1O	841081293	SRQWDCYXIMZKBK-VIFPVBQESA-N	283.328	1.526	10	20	CDCD	
COc1cc(O)c(CN[C@H](C)CCCN)cc1OC	841081769	YIHMNDURCSNZQC-SNVBAGLBSA-N	268.357	1.626	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)N[C@H](C)CN)c1	841968582	AXPOVMVRPFMUEA-RKDXNWHRSA-N	267.329	1.108	10	20	CDCD	
CCN1CC[C@@H](OC(=O)/C=C\c2ccc(O)c(O)c2)C1=O	849744648	DXFUOLQBJYPXJD-RYWCDNDXSA-N	291.303	1.275	10	20	CDCD	
CC(C)NCCCNC(=O)NCCc1ccc(N)cc1	841934424	VAZLOSXQJJSNFF-UHFFFAOYSA-N	278.400	1.499	10	20	CDCD	
CCN(CC)c1ccc(CN2CCO[C@@H](CN)C2)cc1	843068829	MVTBOZYBYAFUHK-INIZCTEOSA-N	277.412	1.692	10	20	CDCD	
Nc1ccc(CCNC(=O)N2C[C@H]3[C@H](C2)C3(F)F)cc1	846172348	LKUYCVSHKRVEIV-RYUDHWBXSA-N	281.306	1.718	10	20	CDCD	
C[C@H]1CCNC(=O)[C@H]1NCc1ccc2c(c1)CCCO2	922101065	STTAQZNFPQZCFN-NHYWBVRUSA-N	274.364	1.626	10	20	CDCD	
Cc1nnc(CN(C)C(=O)c2c(F)ccc(O)c2O)s1	857338851	SGICEFBZFSZKND-UHFFFAOYSA-N	297.311	1.669	10	20	CDCD	
Cn1cc(/C=C\C(=O)N2CCc3ccncc32)cn1	755979002	RTGUYNJPJMYERK-IHWYPQMZSA-N	254.293	1.418	10	20	CDCD	
Cc1nccn1CCOC(=O)/C=C/c1ccc(O)c(O)c1	759593123	IYCPRIOBZWUVHF-HWKANZROSA-N	288.303	1.859	10	20	CDCD	
CO[C@@]1(C)C[C@H]1NCc1ccc(N2CCOCC2)c(F)c1	850408776	FHQSQKXBDMAQIY-CVEARBPZSA-N	294.370	1.929	10	20	CDCD	
Cc1ccc(C)n1-c1ccsc1C(=O)NC(CO)CO	755707958	ONPDMWJIFWISMF-UHFFFAOYSA-N	294.376	1.239	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@H](C)Cc2cnn(C)c2)c1	862754638	HVQFYDNJDDGRLO-GFCCVEGCSA-N	287.363	1.929	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)CCc2cnc[nH]2)c1	862757565	YSNSQBCEDNDIJP-UHFFFAOYSA-N	259.309	1.673	10	20	CDCD	
COc1cccc(O)c1CN(C)CC1(C)COC1	862477854	STDGNZIVXVCFBS-UHFFFAOYSA-N	251.326	1.869	10	20	CDCD	
CC(C)(CO)N1CCN(Cc2cc(Cl)ccc2O)CC1	769445352	GSQJQIJSMJDPHJ-UHFFFAOYSA-N	298.814	1.934	10	20	CDCD	
COc1cccc(O)c1CN1CCC2(CC1)CNC(=O)C2	769445731	IMDWSYZARVYGIK-UHFFFAOYSA-N	290.363	1.503	10	20	CDCD	
CCOc1ccc(CN2CCC(C(N)=O)CC2)c(O)c1	768141283	VHJISFQMZNUTAD-UHFFFAOYSA-N	278.352	1.488	10	20	CDCD	
Cc1cc(O)c(CN2C[C@@H](CO)[C@@H](CO)C2)cc1Cl	877763625	DTBJRJSNERUQQB-TXEJJXNPSA-N	285.771	1.387	10	20	CDCD	
COC[C@H]1NC(=O)N([C@H](C)c2ccc(N(C)C)cc2)C1=O	761579483	MNZMAPKZKNXJFQ-ZWNOBZJWSA-N	291.351	1.380	10	20	CDCD	
O=C1NCCC12CCN(Cc1cc(F)ccc1O)CC2	877782502	BQFPVGJHFZQCLL-UHFFFAOYSA-N	278.327	1.633	10	20	CDCD	
CNC(=O)[C@@H]1CCCCN1Cc1cc(C)ccc1O	133040338	CZUCFRPIEHOUKP-ZDUSSCGKSA-N	262.353	1.801	10	20	CDCD	
CN(C)c1ccc(Cn2cc(Cn3cncn3)nn2)cc1	881272167	PASKFMVYRUVCHW-UHFFFAOYSA-N	283.339	1.032	10	20	CDCD	
CCc1cc(O)ccc1NS(=O)(=O)C1(COC)CC1	882717886	NFXIBAKYUCGJAK-UHFFFAOYSA-N	285.365	1.875	10	20	CDCD	
COC[C@H](C)CC(=O)NCc1ccc(O)c(O)c1	778919489	FPBGROBXDOWYSU-SECBINFHSA-N	253.298	1.387	10	20	CDCD	
C[C@H](NC(=O)[C@@H]1CN(C)CCO1)c1ccc(N(C)C)cc1	773020898	XWRGQWVWCGDWLA-WFASDCNBSA-N	291.395	1.260	10	20	CDCD	
CC(=O)c1cc(F)cc(Cn2cc(CCCN)nn2)c1O	880996606	XSKJSZCMLMVEDA-UHFFFAOYSA-N	292.314	1.265	10	20	CDCD	
COc1cccc(CNC(=O)c2cn(C)nc2OC)c1O	883964593	CATHUSYVENIULD-UHFFFAOYSA-N	291.307	1.073	10	20	CDCD	
COc1ccc(CN[C@@H]2CCCCNC2=O)c(O)c1OC	892545509	ODUFGBVNAUZULZ-LLVKDONJSA-N	294.351	1.168	10	20	CDCD	
COc1cc(C)cc(CN2CCC[C@H](CO)C2)c1O	893864693	YUPIQXCUBRYWKJ-LBPRGKRZSA-N	265.353	1.914	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)C(C)(C)N)cc1	83460766	VIOWWKZRCALZCL-UHFFFAOYSA-N	263.385	1.886	10	20	CDCD	
COc1ccc(CN[C@H](CCO)C(C)C)c(O)c1OC	893056258	KYVJBDQKJUZSLG-GFCCVEGCSA-N	283.368	1.906	10	20	CDCD	
CN(C)c1ccc(CN2C[C@H]3C[C@]3(C(=O)O)C2)cc1	693270173	YUCKBYUXIFSZIC-DOMZBBRYSA-N	260.337	1.659	10	20	CDCD	
OCCN(CCO)Cc1ccc(N2CCCC2)cc1	1329521540	JSEJYUYSTAUFME-UHFFFAOYSA-N	264.369	1.073	10	20	CDCD	
CC[C@H](NCc1ccc(N2CCOCC2)c(F)c1)C(=O)O	1332340684	YWADDHZONIFLNY-ZDUSSCGKSA-N	296.342	1.615	10	20	CDCD	
C[C@H]1CN(C(=O)NCc2ccc(N)cc2)C[C@@H](C)N1C	1335737184	LRKRWSQPKRQZRS-TXEJJXNPSA-N	276.384	1.503	10	20	CDCD	
COc1cc(C)cc(CNCC2(C)OCCO2)c1O	1331534785	YWPXOVSSHHSAMW-UHFFFAOYSA-N	267.325	1.562	10	20	CDCD	
C[C@H]1c2nncn2CCN1C(=O)NCc1ccc(N)cc1	1335724103	GNVAYICKCCXHKQ-JTQLQIEISA-N	286.339	1.147	10	20	CDCD	
C[C@H]1NCCN(C(=O)NCc2ccc(N)cc2)[C@@H]1C	1337070856	YHOWLGVGKILBPY-GHMZBOCLSA-N	262.357	1.161	10	20	CDCD	
CC(=O)N1C[C@@H]2CN(Cc3cc(C)c(C)cc3O)C[C@@H]2C1	1262107221	GYLWSNDFKVEDLV-IYBDPMFKSA-N	288.391	1.919	10	20	CDCD	
NC[C@@H]1CCCC[C@H]1NC(=O)NCc1ccc(N)cc1	1357465171	ZZPORZJZKLQZMJ-GXTWGEPZSA-N	276.384	1.586	10	20	CDCD	
Cc1ccc(C(=O)NCC(C)(C)CC(=O)O)c(O)c1O	1607730318	BLXPUHVFHZDYMI-UHFFFAOYSA-N	281.308	1.637	10	20	CDCD	
O=C(O)[C@H]1CCC[C@H]1NCc1cc2c(cc1O)OCO2	1601808484	MXOUZESQVXSOLT-VHSXEESVSA-N	279.292	1.464	10	20	CDCD	
CN(C)c1ccc(CNc2ncc(C(=O)O)cn2)cc1	1606055146	DFAVIRFZIZTYSQ-UHFFFAOYSA-N	272.308	1.853	10	20	CDCD	
Oc1cc2c(cc1CNC[C@@H]1CCSC1)OCO2	228551996	ARSWUDKYIHFWKD-VIFPVBQESA-N	267.350	1.964	10	20	CDCD	
CN(C)c1ccc(CN[C@@H](C[C@@H]2CCOC2)C(=O)O)cc1	1777039533	ARMFIMGXFXAGNQ-ZFWWWQNUSA-N	292.379	1.722	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@H]2CCCCO2)cc1	160175444	VMDZUWYTRBMMII-CQSZACIVSA-N	262.353	1.938	10	20	CDCD	
CN(C)c1ccc(CN2CC[C@@H](C(N)=O)C2)cc1F	157120389	HUSFYKSUIYAFHW-LLVKDONJSA-N	265.332	1.199	10	20	CDCD	
C[C@@H]1CCCN1CC(=O)NCc1ccc(N(C)C)cc1	154624187	SMOFYFXZTAFJSX-CYBMUJFWSA-N	275.396	1.853	10	20	CDCD	
COc1ccc(N(C)C[C@H]2CCCN2)cc1OC	258891873	LKULHTFNFFKSLU-LLVKDONJSA-N	250.342	1.892	10	20	CDCD	
C[C@@H](NC[C@@H]1CCCNC1=O)c1ccc(F)cc1O	840825613	HUGJVRSIIQRICP-ZJUUUORDSA-N	266.316	1.708	10	20	CDCD	
COc1ccc(O)c(CN[C@H]2CCCS(=O)(=O)C2)c1	69143155	QHNDKDJAPXPWLO-NSHDSACASA-N	285.365	1.068	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@H]2CCC[C@H](N)C2)cc1	70577456	CEBYSDILFHCGAC-KGLIPLIRSA-N	275.396	1.886	10	20	CDCD	
CCS(=O)(=O)CCNCc1cccc(C)c1O	224733157	RHRKSGJJBZZOLY-UHFFFAOYSA-N	257.355	1.225	10	20	CDCD	
Oc1ccccc1CN1CCC[C@H](C2OCCO2)C1	179568192	TZNUMQBKBRQYPD-ZDUSSCGKSA-N	263.337	1.977	10	20	CDCD	
Cc1ccc(C(=O)N2CC[C@@H](N3CCCC3)C2)c(O)c1O	177680709	IRWAGSLBIOACEZ-GFCCVEGCSA-N	290.363	1.717	10	20	CDCD	
CN1C(=O)C(=Cc2c[nH]nc2C(C)(C)C)C(=O)N(C)C1=O	63274858	RGLZKCSGCOXSQW-UHFFFAOYSA-N	290.323	1.141	10	20	CDCD	
Nc1ccc(CNC(=O)CCCn2cccn2)cc1	1346209099	DTVXFWWZNBNZRA-UHFFFAOYSA-N	258.325	1.562	10	20	CDCD	
CNC(=S)N[C@H](C)c1ccc(N2CCOCC2)cc1	65222465	JOJCABFGQZPWTD-LLVKDONJSA-N	279.409	1.678	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Cn1cccn1	183474071	ORXBZIBGFBHKIW-JTQLQIEISA-N	275.308	1.042	10	20	CDCD	
CO[C@]1(CN[C@@H](C)c2ccccc2O)CCOC1	123273708	VVBMCXOHQDRXEL-FZMZJTMJSA-N	251.326	1.848	10	20	CDCD	
CCCCCN(CC(N)=O)Cc1cccc(OC)c1O	180802143	DPCWQLVWVFEJOV-UHFFFAOYSA-N	280.368	1.878	10	20	CDCD	
COC[C@H](C)NC(=O)N(C)Cc1ccccc1O	79116031	ADWBJUUFCZSGJK-JTQLQIEISA-N	252.314	1.569	10	20	CDCD	
CN(C)c1ccc(CN(C)[C@H]2CCCCNC2=O)cc1F	123879821	HSVGDZAMSOQEIZ-HNNXBMFYSA-N	293.386	1.992	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@H]1CCCCC(=O)N1	194323740	JOFVQRMTFJCVRH-GFCCVEGCSA-N	276.336	1.409	10	20	CDCD	
COc1ccc(O)c(CNCCC[C@@H](C)CO)c1	224939306	OXKUZRYFWCYYIY-LLVKDONJSA-N	253.342	1.899	10	20	CDCD	
CCCOc1ccc([C@H]2NC(=O)[C@@H]3COCCN32)c(O)c1	93884781	RLGNEYMROWSZJY-JSGCOSHPSA-N	292.335	1.010	10	20	CDCD	
CC[C@H](NCC1(CO)COC1)c1ccc(N(C)C)cc1	90643147	LZMVVAWTPOEIMW-HNNXBMFYSA-N	278.396	1.802	10	20	CDCD	
COC[C@H](CN[C@@H]1CCc2cccc(O)c21)OC	296604390	XXZRNLOOFOXEQG-NWDGAFQWSA-N	251.326	1.631	10	20	CDCD	
COc1ccc(O)c(CNC[C@](C)(O)C(C)C)c1	182222220	FLNRKZNMEPPXHV-AWEZNQCLSA-N	253.342	1.897	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC[C@H]2COCCN2)c1	530221048	CDJXSGGXRRAGND-MNOVXSKESA-N	266.341	1.040	10	20	CDCD	
Cc1cccc(CN2CCC(N(C)CCCO)CC2)c1O	271757407	CYZGNKLFZQCXBV-UHFFFAOYSA-N	292.423	1.979	10	20	CDCD	
C[C@@H]1CCN(Cc2cc3c(cc2O)OCO3)CC[S@@]1=O	277290276	AGLSPWCLBBIZGQ-SBKAZYGRSA-N	297.376	1.464	10	20	CDCD	
Oc1cc2c(cc1CN1CC[C@@H]([C@H]3CCOC3)C1)OCO2	372175261	GRQLWPAIVKMYIJ-NEPJUHHUSA-N	291.347	1.979	10	20	CDCD	
CC(C)CN1CC(=O)N[C@H]1c1cc2c(cc1O)OCO2	299212176	DRJYHAQBMJSDJU-CQSZACIVSA-N	278.308	1.207	10	20	CDCD	
O=[N+]([O-])c1ccc(O)c(CNc2ccc(CCO)nc2)c1	806671308	VSESBTDOGKHAHL-UHFFFAOYSA-N	289.291	1.842	10	20	CDCD	
C[C@H](N)CN[C@H](C)c1ccc(N2CCOCC2)c(F)c1	817972595	YFJFCZNAZIUBEI-NWDGAFQWSA-N	281.375	1.660	10	20	CDCD	
C[C@H](NC[C@H]1CNCCCO1)c1ccccc1O	817982447	SMAITWXWVVGWCG-NWDGAFQWSA-N	250.342	1.421	10	20	CDCD	
CC[C@H](NC[C@@H]1CNCCO1)c1ccc(C)cc1O	817982023	AYYXMGCPRCECNB-JSGCOSHPSA-N	264.369	1.730	10	20	CDCD	
C[C@@H](Cc1cnn(C)c1)C(=O)NCc1ccccc1O	837480633	JWIZVMGMDCSKHQ-NSHDSACASA-N	273.336	1.621	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)NC[C@H](O)C2CCC2)c1	834905081	FHAPRVBMONIRJP-BONVTDFDSA-N	293.363	1.990	10	20	CDCD	
C[C@@]1(C(=O)O)CCN(Cc2cc3c(cc2O)OC[C@@H]3O)C1	833554043	MPZDNGSCXGLQNE-SWLSCSKDSA-N	293.319	1.115	10	20	CDCD	
CCOCCOC[C@@H](O)CN[C@H]1CCc2cccc(O)c21	834783258	DABCKOVRADSIDL-KBPBESRZSA-N	295.379	1.383	10	20	CDCD	
CCCN(C(=O)c1cccc(O)c1O)[C@@H]1CCN(C)C1	843990980	ZTIGHPUIVUQESI-LLVKDONJSA-N	278.352	1.654	10	20	CDCD	
Oc1c(Cl)cc(Cl)cc1CNC[C@@H]1CNCCO1	841099304	OZGCQWGAGYUXCU-JTQLQIEISA-N	291.178	1.777	10	20	CDCD	
C[C@@H](NC(=O)NCC(C)(C)N)c1ccc(N(C)C)cc1	841883279	VEOPUQVLJMNREQ-LLVKDONJSA-N	278.400	1.850	10	20	CDCD	
CCOCc1cc(CN[C@@H](C)CN)ccc1OC	841064556	YKQJJSFEUFZPER-NSHDSACASA-N	252.358	1.669	10	20	CDCD	
C[C@@H](N)[C@@H](C)NC(=O)NCc1ccc2c(c1)CCCN2C	841758892	KUJCNJKTBALROG-VXGBXAGGSA-N	290.411	1.604	10	20	CDCD	
COc1cccc([C@@H](C)NC[C@]2(O)CCOC2)c1O	846155658	BODYRMWFVGADEE-QMTHXVAHSA-N	267.325	1.203	10	20	CDCD	
NC[C@H]1CN(Cc2ccccc2O)CC12CCOCC2	843124891	KJBBGJLNEWKGMJ-AWEZNQCLSA-N	276.380	1.580	10	20	CDCD	
Oc1cc2c(cc1CNC[C@@H](O)c1ccco1)OCO2	747097486	FEBXDMUNPWTMMH-LLVKDONJSA-N	277.276	1.537	10	20	CDCD	
CC[C@H](N)CNC(=O)N(C)Cc1ccccc1O	842009261	ZHJOYOADQHGWFP-NSHDSACASA-N	251.330	1.271	10	20	CDCD	
COC[C@@]1(CNCc2ccc3c(c2)CCO3)CCCN1	841067694	ONZDFIGOBPTFKF-INIZCTEOSA-N	276.380	1.480	10	20	CDCD	
CCC[C@@](C)(N)C(=O)NC[C@H](N)c1ccc(N(C)C)cc1	841846636	RIOLEWQVOCNQBQ-GOEBONIOSA-N	292.427	1.386	10	20	CDCD	
CC[C@@H](N)CNCc1cccc(Br)c1O	841070204	MLFAKESPANJRHQ-SECBINFHSA-N	273.174	1.982	10	20	CDCD	
Oc1cc2c(cc1CN1[C@H]3CCNC[C@H]1CC3)OCO2	843058402	RCZYFEURHUJHAU-VXGBXAGGSA-N	276.336	1.447	10	20	CDCD	
CCN(CC)CCCNC(=O)c1cc(O)cs1	854178040	HFOJAHPNIDOCSQ-UHFFFAOYSA-N	256.371	1.915	10	20	CDCD	
C[C@H](N)CCNC(=O)N(C)Cc1ccccc1O	857113870	JTAAFLORGYZKGH-JTQLQIEISA-N	251.330	1.271	10	20	CDCD	
NC(=O)[C@@H](Cc1ccccc1)NCc1ccc2c(c1)CCO2	758143122	DVRWSKWOTVIJFS-MRXNPFEDSA-N	296.370	1.808	10	20	CDCD	
C[C@@H](NCCO[C@@H]1CCOC1)c1c(O)cccc1F	927076818	BBTKYUSPZDLPJH-GHMZBOCLSA-N	269.316	1.987	10	20	CDCD	
O=C(OCc1cscn1)c1cccc(O)c1O	758560424	KVNPSTPYIBGTKK-UHFFFAOYSA-N	251.263	1.911	10	20	CDCD	
C[C@H](NCCN1CC[C@H](O)C1)c1cc([N+](=O)[O-])ccc1O	858601597	GJBPHMAXGFLTAB-JQWIXIFHSA-N	295.339	1.018	10	20	CDCD	
CCO[C@@H]1COCC[C@@H]1NCc1cc(F)ccc1O	761222162	IMCWPUUSELAHHU-GXTWGEPZSA-N	269.316	1.815	10	20	CDCD	
C[C@@H](NCc1nnn(C)n1)c1cc(F)cc(F)c1O	1116841406	ILSNOUZLWWSLQR-ZCFIWIBFSA-N	269.255	1.045	10	20	CDCD	
CO[C@@]1(CNCc2cc([N+](=O)[O-])ccc2O)CCOC1	763480368	MNZJJCNWSDYKOL-CYBMUJFWSA-N	282.296	1.196	10	20	CDCD	
CC1(O)CN(Cc2ccc(N3CCC(O)CC3)cc2)C1	877580701	HBTSKOANRWJUOK-UHFFFAOYSA-N	276.380	1.214	10	20	CDCD	
COc1cccc(O)c1CN1CCC[C@H](C(N)=O)C1	771926704	HNLWIWSVCCOQOY-JTQLQIEISA-N	264.325	1.098	10	20	CDCD	
C[C@@H](NS(=O)(=O)C1CC1)c1ccc(N(C)C)cc1	773082891	CAWISBKCRNBTDU-SNVBAGLBSA-N	268.382	1.895	10	20	CDCD	
COCCNCc1ccc([N+](=O)[O-])c(OC)c1O	774943514	UWHSRAMGMGHBEY-UHFFFAOYSA-N	256.258	1.045	10	20	CDCD	
C[C@H](NC(=O)C1(NC(N)=O)CC1)c1ccc(N(C)C)cc1	773990673	WDRFWINPOCGWFS-JTQLQIEISA-N	290.367	1.131	10	20	CDCD	
C[C@H](NC[C@]1(C)CCC(=O)N1)c1c(O)cccc1F	886623654	JVAMENPPAOZSHF-XPTSAGLGSA-N	266.316	1.851	10	20	CDCD	
COc1cc(C)cc(CN[C@H](CO)C[C@H]2CCCO2)c1O	895747405	HLNZUOTZHRMZEX-UONOGXRCSA-N	295.379	1.729	10	20	CDCD	
CCCN(CCN(C)C)C(=O)c1ccc(C)c(O)c1O	780932117	RMQVTKASEXMDAY-UHFFFAOYSA-N	280.368	1.820	10	20	CDCD	
O=C(NCc1ccccc1O)c1cc2nn[nH]c2cc1F	781923769	UAOLOXRSBHQAOO-UHFFFAOYSA-N	286.266	1.733	10	20	CDCD	
COc1ccc(CN2CC[C@H](CC(N)=O)C2)c(O)c1OC	894519519	LIDAHXXDLRPLIB-SNVBAGLBSA-N	294.351	1.107	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2CCO[C@@H](OC)C2)c1O	895968203	JQSPZUKFIWPOQK-LLVKDONJSA-N	298.295	1.114	10	20	CDCD	
CC[C@@H](C)OCC(=O)NCc1ccc(OC)cc1O	794378814	FVQIKBCAQDDNEC-SNVBAGLBSA-N	267.325	1.832	10	20	CDCD	
COC(=O)N1CCCN(Cc2ccc(N)cc2)CC1	1336285079	HPHOLUGEQJPMRB-UHFFFAOYSA-N	263.341	1.543	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NCC(=O)N2CCCC2)c1	1331260592	CPCHVTKDMJACBK-UHFFFAOYSA-N	291.351	1.122	10	20	CDCD	
COCCCCNC(=O)NCc1ccc(N)cc1	1335383867	IPTLUDUUYSDVRA-UHFFFAOYSA-N	251.330	1.495	10	20	CDCD	
CNC[C@@H](C)CNC(=O)NCc1ccc(N(C)C)cc1C	1348550227	DOVYQEXXTZCBSO-GFCCVEGCSA-N	292.427	1.716	10	20	CDCD	
CN1CC[C@H](CC(=O)NCc2cccc(O)c2O)C1	1263894370	CZZFNTQCZQQDHP-SNVBAGLBSA-N	264.325	1.056	10	20	CDCD	
COCCCN(CCOC)C(=O)NCc1ccc(N)cc1	1262603816	WIPBUTRDJLEHHF-UHFFFAOYSA-N	295.383	1.463	10	20	CDCD	
CN1CCN(c2ccc(CNC/C=C\CO)cc2F)CC1	1347357693	SLCSHLHDMGBXSI-IHWYPQMZSA-N	293.386	1.216	10	20	CDCD	
CCCN(CC(C)(C)O)C(=O)NCc1ccc(N)cc1	1262603204	AOXOSMCUDUQYDF-UHFFFAOYSA-N	279.384	1.961	10	20	CDCD	
O=C(O)[C@H]1C[C@H](NCc2ccc(F)c(F)c2O)C1	1606458415	AAZMZCMPVYMYHN-ZKCHVHJHSA-N	257.236	1.623	10	20	CDCD	
O=C(O)c1cnc(SC[C@H]2COCCO2)s1	1602536576	BENLSIAUDNYEJR-ZCFIWIBFSA-N	261.324	1.349	10	20	CDCD	
O=C(O)CN(Cc1cc2c(cc1O)OCO2)C1CCCC1	1602057389	ZGESGGXVDNPHFA-UHFFFAOYSA-N	293.319	1.950	10	20	CDCD	
O=C(O)C[C@@H]1CC[C@H](NC(=O)c2c(F)ccc(O)c2O)C1	1602111370	LAEKDTNHHSISGU-SFYZADRCSA-N	297.282	1.610	10	20	CDCD	
COc1cc(C)cc(CN(CC(=O)O)C2CC2)c1O	1610293331	MSYSLPMHNNCWNP-UHFFFAOYSA-N	265.309	1.758	10	20	CDCD	
C[C@@H]1OCC[C@@]1(C)NC(=O)c1cccc(O)c1O	229417742	OEFQDXOEUTVGBP-ISVAXAHUSA-N	251.282	1.395	10	20	CDCD	
C[C@@H](NC(=O)[C@H]1CCCN1)c1ccc(N(C)C)cc1	1573569055	MGYTZNDDGONRHR-BXUZGUMPSA-N	261.369	1.682	10	20	CDCD	
CC1(C)COC(=O)[C@H]1NC(=O)Nc1ccc(N)cc1	1576481889	GVQIQKYTWKATGI-SNVBAGLBSA-N	263.297	1.342	10	20	CDCD	
Nc1cccc(C(=O)NCc2c(O)cccc2F)n1	1580455693	VKQFOOXZTDRKSL-UHFFFAOYSA-N	261.256	1.439	10	20	CDCD	
COC(=O)COc1ccc(N(C)CCCCC(=O)O)cc1	1598867077	ZSFURWRGHJWDRB-UHFFFAOYSA-N	295.335	1.930	10	20	CDCD	
COc1cccc(CNc2ncc(C(=O)O)cn2)c1O	1599675268	CBVDRIGWCHCFOJ-UHFFFAOYSA-N	275.264	1.501	10	20	CDCD	
CN(C[C@H]1CCC(=O)O1)c1ccc(OCC(=O)O)cc1	1598453496	MKKJEFQAZDBUSJ-GFCCVEGCSA-N	279.292	1.292	10	20	CDCD	
COc1cccc(CNC(=O)CCCn2ccnc2)c1O	156157461	HQXFWAAFDHVFRK-UHFFFAOYSA-N	289.335	1.694	10	20	CDCD	
CCOc1cccc(CN2CCC(CC(N)=O)CC2)c1O	159767483	PMZFYKOIPZOYCR-UHFFFAOYSA-N	292.379	1.878	10	20	CDCD	
COc1ccc(N2CCN(C(=O)N(C)C)CC2)cc1	33888951	YKJBEFLWXTVCAQ-UHFFFAOYSA-N	263.341	1.499	10	20	CDCD	
Cc1ccc(C(=O)NCc2ccc(N)cc2)c(=O)[nH]1	159389579	YWRJBIASPBZOLL-UHFFFAOYSA-N	257.293	1.196	10	20	CDCD	
Oc1ccc(Br)cc1CN[C@H]1C[C@@H](O)C1	294775176	GHXAFTOQFKLOKM-AOOOYVTPSA-N	272.142	1.768	10	20	CDCD	
CCN(CC)C(=O)CN1CCCc2cc(CN)ccc21	62801565	PYHMXSYQANJCGP-UHFFFAOYSA-N	275.396	1.766	10	20	CDCD	
C[C@@H](NCCN1CCCC1=O)c1cc(F)ccc1O	405415315	OQOXCVWDTMZINK-SNVBAGLBSA-N	266.316	1.804	10	20	CDCD	
CNC(=O)C[C@@H](C)N[C@@H](C)c1ccc(C)cc1O	322670499	FRFMXVWCRQPXLR-MNOVXSKESA-N	250.342	1.876	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CCCNCC2)c1O	50153768	LXOMDYDSOROIIF-UHFFFAOYSA-N	266.316	1.529	10	20	CDCD	
Cc1ccc(C(=O)N2CC[C@H](N3CCCC3)C2)c(O)c1O	177680693	IRWAGSLBIOACEZ-LBPRGKRZSA-N	290.363	1.717	10	20	CDCD	
COC(=O)NCCCC(=O)NCc1ccc(N)cc1	1346209759	LDUOLTPQBMYWCP-UHFFFAOYSA-N	265.313	1.021	10	20	CDCD	
C[C@H](NCc1nnc2n1CCOC2)c1cc(F)ccc1O	1343549325	YPFOCMHSMKJIJM-VIFPVBQESA-N	292.314	1.504	10	20	CDCD	
CS(=O)(=O)CCCNCc1cccc(Cl)c1O	124801695	HCKYOTABXUJWMB-UHFFFAOYSA-N	277.773	1.570	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)[C@H]1CCCCO1	182516167	ZDXLQKJIWVCYEW-GFCCVEGCSA-N	251.282	1.283	10	20	CDCD	
COC(C)(C)CNC(=O)NCc1ccc(N(C)C)cc1	75310209	OWVNNYDVGUFPGN-UHFFFAOYSA-N	279.384	1.977	10	20	CDCD	
CC(C)(CCO)CNC(=O)/C=C/c1ccc(O)c(O)c1	181207509	QJSOYMHNLLCUIS-GQCTYLIASA-N	279.336	1.636	10	20	CDCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C(C)(C)N	40925572	XVFAKABIFTVNGE-UHFFFAOYSA-N	291.395	1.219	10	20	CDCD	
CCCOc1ccc(CN2CCC[C@@H]2C(=O)NC)c(O)c1	133611000	AAKKBPGPOFNXDQ-CQSZACIVSA-N	292.379	1.891	10	20	CDCD	
C[C@@H](CC(=O)O)CC(=O)NCc1ccccc1O	228402262	MIZYPQBLTSHDAW-SECBINFHSA-N	251.282	1.509	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)[C@H](C)S(C)(=O)=O	265213037	RRIVFEJTQBMMJS-NSHDSACASA-N	299.392	1.564	10	20	CDCD	
Cc1ccc(C(=O)NCC2(C(N)=O)CCCC2)c(O)c1O	267551634	CZGPQHGMVHVXFM-UHFFFAOYSA-N	292.335	1.182	10	20	CDCD	
CCN1CCN(Cc2cc(F)ccc2O)CC1=O	273554040	ZFUPMAOKJRMKRM-UHFFFAOYSA-N	252.289	1.195	10	20	CDCD	
COC(=O)C[C@@H]1CN(Cc2cccc(OC)c2O)CCO1	271157650	BUNHZIDHNPJYGJ-GFCCVEGCSA-N	295.335	1.165	10	20	CDCD	
O=[N+]([O-])c1ccc(O)c(CNCC(F)(F)F)c1	276405454	DQWHWQOXHMGGLL-UHFFFAOYSA-N	250.176	1.952	10	20	CDCD	
Cc1ccc(C(=O)N2CCC[C@H]2CF)c(O)c1O	294499277	XWZDSUQCZWSUEU-VIFPVBQESA-N	253.273	1.980	10	20	CDCD	
Cc1cc(Cl)cc(CN2CC(CC(N)=O)C2)c1O	297423024	NPGLSDRLTHOIHA-UHFFFAOYSA-N	268.744	1.661	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CC[C@H]1C(=O)O	397311242	OGIRBDNROYNUJD-ZIAGYGMSSA-N	290.363	1.822	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)N[C@@H]2CCCNCC2)c1	817969587	XVNCDPZIMIPTTI-DGCLKSJQSA-N	292.379	1.972	10	20	CDCD	
CCOC(=O)CN(Cc1ccccc1O)C[C@H](C)O	823576040	HDPVQBOXZKLHMB-NSHDSACASA-N	267.325	1.138	10	20	CDCD	
O=[N+]([O-])CCNCc1ccc(N2CCC(O)CC2)cc1	905380756	IZPMVYJQLKFTAR-UHFFFAOYSA-N	279.340	1.014	10	20	CDCD	
CCCOc1ccccc1NC[C@@H](O)C[C@]1(O)CCOC1	905301751	SCCJRFRLBXPEMX-XJKSGUPXSA-N	295.379	1.790	10	20	CDCD	
COc1cc(O)c(CN2CCC[C@@]2(C)C(=O)O)cc1OC	903698422	TZYDTEZGULRTIZ-HNNXBMFYSA-N	295.335	1.849	10	20	CDCD	
CN(C)c1ccc(CNCC2(O)CCOCC2)cc1F	733327227	QCBUYYZDJNEUSH-UHFFFAOYSA-N	282.359	1.523	10	20	CDCD	
CC(C)n1cncc1/C=C1/SC(=S)NC1=O	901415863	AYEMTUDAFFKSNW-FPYGCLRLSA-N	253.352	1.953	10	20	CDCD	
Cc1ccc(C(=O)NCc2ccc(N(C)C)cc2)nn1	839469651	LMISKJGNJNQWIJ-UHFFFAOYSA-N	270.336	1.781	10	20	CDCD	
O=C(O)CN(Cc1ccccc1O)C(=O)[C@H]1CCCOC1	911484435	BWQBHFOSAYRMFH-LBPRGKRZSA-N	293.319	1.232	10	20	CDCD	
CN(C)c1ccc([C@@H](N)CNC(=O)[C@H]2CCCCO2)cc1	832284586	KUKSVHQXKDEVFR-LSDHHAIUSA-N	291.395	1.438	10	20	CDCD	
C[C@@H](NC[C@@]1(C)CCC(=O)N1)c1cc(F)cc(F)c1O	834910206	VUDBCQSYVHGBLM-XLKFXECMSA-N	284.306	1.990	10	20	CDCD	
CC(C)(C(=O)O)C(=O)NCCCSc1nccs1	844242988	OGINCBMHIZSVJR-UHFFFAOYSA-N	288.394	1.852	10	20	CDCD	
CN(C)c1ccc(CNCc2nocc2C(=O)O)cc1	846783567	QEHOZHSREKIQLU-UHFFFAOYSA-N	275.308	1.729	10	20	CDCD	
COc1ccc(N2CCN(C(=O)C(C)(C)CO)CC2)cc1	847286482	QUNASJUYJKLUGO-UHFFFAOYSA-N	292.379	1.362	10	20	CDCD	
CC[C@@H]1CN(C)CCN1Cc1cc2c(cc1O)OC[C@@H]2O	840092918	YZPVLGIVBPNFOX-DOMZBBRYSA-N	292.379	1.344	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNCCC[S@](C)=O	840934689	VPRVVWQZCQBYAG-SFHVURJKSA-N	268.426	1.919	10	20	CDCD	
Nc1ccc(CCNC(=O)C(=O)N2CCCCCC2)cc1	842243165	XGIBFWPTVYFCGQ-UHFFFAOYSA-N	289.379	1.330	10	20	CDCD	
COC(=O)Cn1cc(CN(C)c2ccc(OC)cc2)nn1	844354346	BMEUJTLVHVSGAC-UHFFFAOYSA-N	290.323	1.096	10	20	CDCD	
CCc1cccc(CNCCC(=O)N2CCOCC2)c1O	848894754	OGNHRTXHRADDSF-UHFFFAOYSA-N	292.379	1.293	10	20	CDCD	
Cc1nonc1CC(=O)N[C@H](C)Cc1ccc(O)c(O)c1	845930846	NIUOVQWJAALKSK-MRVPVSSYSA-N	291.307	1.079	10	20	CDCD	
Oc1cc2c(cc1CN[C@H]1CCCNCC1)OCO2	841057119	IIWRFNZDJXRMCR-NSHDSACASA-N	264.325	1.353	10	20	CDCD	
CCN1C[C@@H](CNCc2cc(F)ccc2O)CC1=O	846097606	SRTUJJQIOGCOBG-SNVBAGLBSA-N	266.316	1.489	10	20	CDCD	
O=C(c1cc(O)cs1)N1C[C@@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1	854820894	HHZCELJLOCIYAN-UKKRHICBSA-N	263.318	1.479	10	20	CDCD	
CO[C@@H](C)[C@H](C)NC(=O)NCc1cc(C)ccc1O	858381239	NXACLJJHJBDBSF-QWRGUYRKSA-N	266.341	1.923	10	20	CDCD	
CCn1cnnc1CNCc1cc(F)c(N(C)C)cc1F	858098839	FUUIDVLYHASAHP-UHFFFAOYSA-N	295.337	1.932	10	20	CDCD	
Cc1ccc(C(=O)N2CC[C@H](N(C)C)[C@@H]2C)c(O)c1O	854651951	FHFORBAAPKESIM-JQWIXIFHSA-N	278.352	1.571	10	20	CDCD	
CN1CCN(c2ccc(CNC/C=C\CO)cc2)CC1	850357547	NETRXSDOXHOAQF-IHWYPQMZSA-N	275.396	1.077	10	20	CDCD	
Cc1ccnn1CC(=O)N(C)Cc1ccc(N(C)C)cc1	858199680	OSRBATVJWIMVAO-UHFFFAOYSA-N	286.379	1.916	10	20	CDCD	
C[C@H](NCCNC(=O)C1CC1)c1cc(F)cc(F)c1O	756371596	LVXFDUFUOUJIBV-QMMMGPOBSA-N	284.306	1.847	10	20	CDCD	
C[C@H]1COCCN1CCN[C@H](C)c1ccc(F)cc1O	756537378	YJTQQANPZQFVJH-NWDGAFQWSA-N	282.359	1.903	10	20	CDCD	
CC[C@@H](NC(C)=O)C(=O)N(C)Cc1ccc(N(C)C)cc1	864635352	XXQUYIXUGURFLV-OAHLLOKOSA-N	291.395	1.626	10	20	CDCD	
COC(=O)CN(C)Cc1cc(F)c(N(C)C)cc1F	862225268	QADKSMYMOVDQEP-UHFFFAOYSA-N	272.295	1.636	10	20	CDCD	
Cc1nccc(CCC(=O)N(C)c2ccc(N)cc2)n1	877076180	NFTSGWDBPCMIMU-UHFFFAOYSA-N	270.336	1.963	10	20	CDCD	
CN1CCN(Cc2cccc(Cl)c2O)[C@H](CO)C1	877645012	YEUOPUHFHOFPKD-NSHDSACASA-N	270.760	1.154	10	20	CDCD	
Cc1nc[nH]c1C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1	876506955	RSPQUKIZQOVHSZ-CYBMUJFWSA-N	287.367	1.214	10	20	CDCD	
C[C@@H](NCC1OCCO1)c1ccc(N(C)C)cc1	775836057	XXTVUDPTZVGUED-LLVKDONJSA-N	250.342	1.776	10	20	CDCD	
C[C@@H]1COCCN1CCNCc1ccc2c(c1)CCCO2	1119930653	BOTBLINKLAKVBV-CQSZACIVSA-N	290.407	1.822	10	20	CDCD	
CN1CC[C@H](C(=O)N(C)Cc2ccc(N(C)C)cc2)C1=O	771946960	MVULZPBLURCTKV-AWEZNQCLSA-N	289.379	1.189	10	20	CDCD	
COc1ccc(CNCCCO)cc1Cn1cccn1	873007294	KFNPVRYNIVQNOL-UHFFFAOYSA-N	275.352	1.412	10	20	CDCD	
Cc1cccc(O)c1CNCC1(N2CCOCC2)CC1	877478141	BMPJCNIPDPGOGB-UHFFFAOYSA-N	276.380	1.655	10	20	CDCD	
COc1ccc(O)c(CNCc2cc(C(=O)O)nn2C)c1	874039933	AFHXGUDCUKIMQG-UHFFFAOYSA-N	291.307	1.122	10	20	CDCD	
NC[C@@H](NC(=O)NCc1ccc(N)cc1)C1CCCCC1	1120543112	VSPCLSSPULYZEC-OAHLLOKOSA-N	290.411	1.976	10	20	CDCD	
CCNC(=O)C(C)(C)CNCc1cc(F)cc(F)c1O	883073457	QMYJFSSNQUPBMI-UHFFFAOYSA-N	286.322	1.922	10	20	CDCD	
COC(=O)[C@H]1CCN(C(=O)c2cc(O)cs2)[C@@H]1C	788008844	QVICTUHKTYQJET-APPZFPTMSA-N	269.322	1.477	10	20	CDCD	
COc1ccc(CN2C[C@@H](C)[C@](C)(CO)C2)c(O)c1OC	895458327	XRBZUQSHFAUOLP-BZNIZROVSA-N	295.379	1.860	10	20	CDCD	
CC[C@@H]1CN(C)CCN1Cc1ccc(OC)c(OC)c1O	894640630	GPCJHRJNAXTMTR-CYBMUJFWSA-N	294.395	1.935	10	20	CDCD	
CC1(C)CNC(=O)[C@@H]1NCc1cc(Cl)cc(F)c1O	895316915	SJILSIMAFOMLFR-NSHDSACASA-N	286.734	1.799	10	20	CDCD	
CC(C)[C@H]1CN(C(=O)c2cccc(O)c2O)CCN1	707553434	XSRBPAHCAVTNQS-LLVKDONJSA-N	264.325	1.168	10	20	CDCD	
CCn1ncnc1CN[C@H](C)c1ccc(F)cc1O	794843738	XRBQHGGVRLKLQV-SECBINFHSA-N	264.304	1.994	10	20	CDCD	
COCCn1cc(CNCc2cc(F)cc(F)c2O)cn1	1330839646	DAPYQMXLPXCPKZ-UHFFFAOYSA-N	297.305	1.803	10	20	CDCD	
COC1CCN(c2nnc(-c3sccc3O)n2C)CC1	1338086364	GBVPNRIHKWLBSX-UHFFFAOYSA-N	294.380	1.864	10	20	CDCD	
C[C@H](N[C@H](CCO)C1CC1)c1cc(C(=O)O)ccc1O	1604326889	UMGCTJSCLGGMHL-TVQRCGJNSA-N	279.336	1.902	10	20	CDCD	
Cc1cc(O)c(CN2C[C@H](O)C[C@@H]2C(=O)O)cc1C	1607698617	AZLGNXGDMKFTCA-VXGBXAGGSA-N	265.309	1.029	10	20	CDCD	
COC[C@@H]1CCCN(C(=O)Cc2ccc(N)cc2)C1	157449092	NNKYYTCQLRCBRP-CYBMUJFWSA-N	262.353	1.696	10	20	CDCD	
CC(C)C[C@](C)(CN)NC(=O)Cc1ccc(N)cc1	262562377	AAZJKHQQQFQUTD-OAHLLOKOSA-N	263.385	1.691	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)CCn1ccnn1	269166336	VWSYPHKGYJSGLW-UHFFFAOYSA-N	260.297	1.032	10	20	CDCD	
CCN(CCS(C)(=O)=O)Cc1cccc(C)c1O	180575717	BOJJHFQJZDMCGN-UHFFFAOYSA-N	271.382	1.567	10	20	CDCD	
O=C(O)C1CCN(Cc2cc(F)cc(F)c2O)CC1	708215160	IKRRSGHGYMVBPZ-UHFFFAOYSA-N	271.263	1.967	10	20	CDCD	
C[S@@](=O)C1(CNCc2cc(F)cc(F)c2O)CC1	708534641	CCZOVUHKWZOKPR-GOSISDBHSA-N	275.320	1.671	10	20	CDCD	
CON(C)C(=O)CNCc1c(O)cccc1Cl	397542950	YPYOFWGOLKSIRU-UHFFFAOYSA-N	258.705	1.155	10	20	CDCD	
COCCCN(CCOC)Cc1cc2c(cc1O)OCO2	68963696	BXAIJAFONGSMAV-UHFFFAOYSA-N	297.351	1.606	10	20	CDCD	
Oc1c(Cl)cc(Cl)cc1CNC[C@@]1(O)CCOC1	229642173	WCCKBDLIZYNDKY-LBPRGKRZSA-N	292.162	1.940	10	20	CDCD	
COC(=O)CCN(CC(C)C)C(=O)Cc1ccc(N)cc1	37816919	MGFRRRQXTVCENW-UHFFFAOYSA-N	292.379	1.859	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@@]12CCOC2	368092770	LVEOBGBGIHDNOP-SWLSCSKDSA-N	261.321	1.777	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)NC[C@@H]1CCCO1	42866456	REZAIFGFJSDVLY-LBPRGKRZSA-N	264.325	1.713	10	20	CDCD	
COC[C@@H](C)CNC(=O)/C=C/c1ccc(O)c(O)c1	180981769	SABUTLQHJXCBQO-RWCYGVJQSA-N	265.309	1.510	10	20	CDCD	
CNC(=O)c1cccc(NC(=O)Cc2ccc(N)cc2)c1	40311748	NHBSMTBDFMCFAG-UHFFFAOYSA-N	283.331	1.810	10	20	CDCD	
CC(=O)N[C@H]1CCN(Cc2cc(F)cc(C(C)=O)c2O)C1	228301350	PVVMVUQLJHNTLO-ZDUSSCGKSA-N	294.326	1.444	10	20	CDCD	
CN1CCN(Cc2cc3c(cc2O)OCO3)C(C)(C)C1=O	93642748	HGQXHNHHSOZBFM-UHFFFAOYSA-N	292.335	1.174	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NCc2nccn2C)cc1	264069758	MBWYPXZNAAPWIQ-UHFFFAOYSA-N	287.367	1.486	10	20	CDCD	
C[C@H](CN1CCOCC1)C(=O)N(C)Cc1ccccc1O	271150628	UTQFPBXROGAOIV-CYBMUJFWSA-N	292.379	1.319	10	20	CDCD	
Cc1ccc(C(=O)NCC2([C@@H](O)C(C)C)CC2)c(O)c1O	272937926	GZWVNRLZYSUXOQ-AWEZNQCLSA-N	293.363	1.933	10	20	CDCD	
O=C(c1c(F)ccc(O)c1O)N1CCSCC1	276536753	FQYGIFQERXALNP-UHFFFAOYSA-N	257.286	1.426	10	20	CDCD	
CCOC(=O)[C@H](C)[C@H](C)NC(=O)c1ccc(C)c(O)c1O	273585721	ZSIXPPZJODRUQV-ZJUUUORDSA-N	295.335	1.724	10	20	CDCD	
Cc1ccc(C(=O)N(C)[C@H](C)C(=O)OC(C)C)c(O)c1O	272705969	CHJQPNIJBUNWMX-SNVBAGLBSA-N	295.335	1.818	10	20	CDCD	
CC[C@](C)(NC(=O)c1ccc(C)c(O)c1O)C(=O)OC	272740398	IIVPBUNIIFVNTE-AWEZNQCLSA-N	281.308	1.478	10	20	CDCD	
Cc1ccc(C(=O)N2CC[S@](=O)C[C@@H](C)C2)c(O)c1O	277706835	WIZQNIPURYXVHU-LXGOIASLSA-N	297.376	1.247	10	20	CDCD	
C[C@H](NC[C@@H](C)N(C)C)c1cc([N+](=O)[O-])ccc1O	273599746	RSNMVBLUBPUDPO-ZJUUUORDSA-N	267.329	1.901	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccnn1C	808095237	WITJGSQTXXTBJQ-UHFFFAOYSA-N	280.324	1.541	10	20	CDCD	
COc1ccc(O)c(CNCCCc2cnn(C)n2)c1	293511255	AHNYSGBFIAFLKC-UHFFFAOYSA-N	276.340	1.252	10	20	CDCD	
COc1ccc(N2CCN(CCC(=O)N(C)C)CC2)cc1	298272604	IGPAZPOSVYKWCW-UHFFFAOYSA-N	291.395	1.296	10	20	CDCD	
COC[C@H](C)OC[C@@H](O)CNCc1ccc(N(C)C)cc1	818941671	NMPNCIBSNUNSLC-BBRMVZONSA-N	296.411	1.255	10	20	CDCD	
CON(C)C(=O)CCNCc1ccc(N2CCCC2)cc1	818954526	URUZNMGVQNOVRZ-UHFFFAOYSA-N	291.395	1.786	10	20	CDCD	
C[C@@H](NC(=O)CCCn1cncn1)c1ccccc1O	827937297	QXXIWEMWBWXBIT-LLVKDONJSA-N	274.324	1.641	10	20	CDCD	
CCOC(=O)CN(CC)C(=O)c1c(F)ccc(O)c1O	827180344	FTFOKTVCCRLYLO-UHFFFAOYSA-N	285.271	1.262	10	20	CDCD	
COc1cccc(O)c1CN1C[C@@H](C)[C@](C)(CO)C1	827700010	NXJGWVWPNUUKOU-ABAIWWIYSA-N	265.353	1.851	10	20	CDCD	
COc1cc(CN(C)[C@@H](C)C(=O)O)c(O)cc1C	820763816	DGGGDHLZMLICRY-VIFPVBQESA-N	253.298	1.614	10	20	CDCD	
CCOc1ccc(O)c(CN[C@H](CC)C(=O)NC)c1	825316827	VKYWIWIXPXAMQN-GFCCVEGCSA-N	266.341	1.405	10	20	CDCD	
COC(=O)c1cnc(SCc2ccn(C)c(=O)c2)s1	829684360	NGUAQCBNYYLKLM-UHFFFAOYSA-N	296.373	1.921	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](COC)OC	824233946	AVMFUXNEAZAUMV-HNNXBMFYSA-N	294.395	1.763	10	20	CDCD	
O=C(O)c1cccc(C(=O)NCc2ccc(O)c(O)c2)c1	821549458	FORRUBWEFJKTDW-UHFFFAOYSA-N	287.271	1.726	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@@H](NC(=O)O)C(C)C)c1	738044894	TZNAWSFYDHPHSH-LBPRGKRZSA-N	296.323	1.309	10	20	CDCD	
C[C@@H]1COC[C@H]1NC(=O)NCc1ccc(N(C)C)cc1	902962525	GFAIEFQZTCRVNS-BXUZGUMPSA-N	277.368	1.587	10	20	CDCD	
O=C(O)C1(NCc2cc(F)cc(F)c2O)CCC1	904007673	QIUGMMVRMZISDT-UHFFFAOYSA-N	257.236	1.767	10	20	CDCD	
O=C1CCC[C@H]1[C@@H]1COCCN1C(=O)c1cc(O)cs1	831940818	LSXFAJUJFFMTPZ-QWRGUYRKSA-N	295.360	1.664	10	20	CDCD	
C[C@@](O)(CNC(=O)NCCc1ccc(N)cc1)C1CC1	841953555	AHVQAJSNTAXZFH-OAHLLOKOSA-N	277.368	1.272	10	20	CDCD	
Cc1cc(Br)c(O)c(CN[C@H]2[C@@H]3CNC[C@@H]32)c1	841078534	UNKNRGHKRVDREA-IAZYJMLFSA-N	297.196	1.771	10	20	CDCD	
CC(C)n1cnnc1CNC(=O)Cc1ccc(N)cc1	844182727	KCMPXAUMYSETJP-UHFFFAOYSA-N	273.340	1.300	10	20	CDCD	
Cc1oc2ncnc(O)c2c1C(=O)NCc1ccccc1O	748347226	ZXFMVUASINGLFI-UHFFFAOYSA-N	299.286	1.872	10	20	CDCD	
CCS(=O)(=O)CCCNCc1cc(Cl)ccc1O	840973402	LVFATJGOBACEPQ-UHFFFAOYSA-N	291.800	1.960	10	20	CDCD	
C[C@H](C(=O)NCc1cc(Cl)ccc1O)n1cncn1	846474127	ZVSHYGABDQTQSA-MRVPVSSYSA-N	280.715	1.515	10	20	CDCD	
CN1CCC[C@H](NCc2ccc(N(C)C)c(F)c2)C1=O	748241585	AKRNYPOXIBIGFD-ZDUSSCGKSA-N	279.359	1.602	10	20	CDCD	
CCN1C(=O)C(C)(C)N[C@H]1c1ccc2c(c1)CCN2C	840832824	HKQYOGLHOGLTNJ-CQSZACIVSA-N	273.380	1.908	10	20	CDCD	
CN(Cc1ccc(N2CCCCC2)cc1)C[C@@H](O)CN	841094391	XOHUMAGQJKZLDE-INIZCTEOSA-N	277.412	1.428	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@H]2[C@H]3C(=O)CC[C@H]32)c1	913000720	SSZPTLCPFJWBMK-LERXQTSPSA-N	259.305	1.542	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1CCN(C)C[C@H]1CN	843121303	CNNYLTPANOMLLA-MRXNPFEDSA-N	276.428	1.136	10	20	CDCD	
COc1ccc(N(C)CCN(C)C(=O)[C@@H](C)[C@@H](C)N)cc1	846695742	AEDBDZFAALQCJN-QWHCGFSZSA-N	293.411	1.573	10	20	CDCD	
Nc1ccc(CCNC(=O)[C@@H]2CCn3ccnc3C2)cc1	857846095	XGMOPUFUFVTUTN-CYBMUJFWSA-N	284.363	1.387	10	20	CDCD	
COC1(C(=O)NCc2cc(C)ccc2O)CCOCC1	862756383	WRDAQUSPJKMSPC-UHFFFAOYSA-N	279.336	1.512	10	20	CDCD	
COC[C@@H]1NC(=O)N([C@H](C)c2ccc(N(C)C)cc2)C1=O	761579482	MNZMAPKZKNXJFQ-MFKMUULPSA-N	291.351	1.380	10	20	CDCD	
COCCn1cc(C(=O)NCc2ccccc2O)cn1	866754678	CAXBGZMSCQVFEC-UHFFFAOYSA-N	275.308	1.165	10	20	CDCD	
CN(C)c1ncccc1/C=C1/SC(=S)NC1=O	1117390788	AOAICYAKTBMIFC-SOFGYWHQSA-N	265.363	1.636	10	20	CDCD	
O=C(NCc1ccccc1O)[C@H]1CCCN1c1ncccn1	769362011	DANOUWXNXBJJQJ-CYBMUJFWSA-N	298.346	1.467	10	20	CDCD	
C[C@@H](NC(=O)c1cc(O)cs1)C1CCOCC1	762579454	QJPJABOEOVRYHK-MRVPVSSYSA-N	255.339	1.999	10	20	CDCD	
O=C(O)COCCNCc1c(O)cccc1Cl	874043175	PQNLKZVBYBLDRF-UHFFFAOYSA-N	259.689	1.236	10	20	CDCD	
CC(=O)c1ccc(C(=O)NCc2ccc(O)c(O)c2)o1	772402824	CWQJEYIRXXEEIA-UHFFFAOYSA-N	275.260	1.823	10	20	CDCD	
Cc1cccc(CN2CCSC[C@@H]2CO)c1O	877780131	KTPMPTRQWNHYSY-LBPRGKRZSA-N	253.367	1.610	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNC[C@@H](O)CC(C)C)c1O	774994036	WHTZULNXFSDNGD-NSHDSACASA-N	298.339	1.806	10	20	CDCD	
CN1CCCc2cc(CNS(=O)(=O)NC3CC3)ccc21	772559736	JETFCRCPXVWTCH-UHFFFAOYSA-N	295.408	1.155	10	20	CDCD	
C[C@H](NCc1ccc(N)cc1)[C@@H](C)N1CCOCC1	1120370615	CFFVSAZCTTZCRI-QWHCGFSZSA-N	263.385	1.468	10	20	CDCD	
COc1ccc(CNC[C@H]2CCN2C)c(O)c1OC	896593875	PXSFAAYAPYOKRO-LLVKDONJSA-N	266.341	1.203	10	20	CDCD	
C[C@H](CN)CNC(=O)N[C@H](C)c1ccccc1O	892043599	DOMSKTPLNAUXSJ-NXEZZACHSA-N	251.330	1.347	10	20	CDCD	
C[C@H]1[C@@H](C)N(C(=O)c2cccc(O)c2O)CCN1C	790911702	KOAADBNDQHLVJN-VHSXEESVSA-N	264.325	1.262	10	20	CDCD	
COc1ccc(CNc2nccn3c(C)nnc23)c(O)c1	795284991	PHWVSXRJZHHXBC-UHFFFAOYSA-N	285.307	1.759	10	20	CDCD	
COc1ccc(O)c(CNC[C@@H]2CC[C@H](O)C2)c1	187986608	QEHRNRVTVRUSCJ-PWSUYJOCSA-N	251.326	1.651	10	20	CDCD	
c1cc(N2CCCC2)ccc1CN1CCn2cnnc2C1	1204318954	ATDCCLYCKFHBEO-UHFFFAOYSA-N	283.379	1.894	10	20	CDCD	
COc1cccc(O)c1CN1CCN2C(=O)OC[C@H]2C1	769483856	PAPXRWOCDWUECQ-SNVBAGLBSA-N	278.308	1.037	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@]1(F)CCOC1	1323623170	ZHGCLHIXHUZPKX-HNNXBMFYSA-N	280.343	1.806	10	20	CDCD	
CN(CCNS(C)(=O)=O)Cc1c(O)cccc1Cl	1324746843	OJPQLPDMFBTVRQ-UHFFFAOYSA-N	292.788	1.027	10	20	CDCD	
Cc1ccc(CN2CCC(OCC(N)=O)CC2)c(O)c1	1336720511	KLNHDUPNTIMFPX-UHFFFAOYSA-N	278.352	1.167	10	20	CDCD	
CC[C@H]1CN(C(=O)NCc2ccc(N)cc2)[C@H](C)CO1	1337019746	UHVDRDYIFMPTFQ-RISCZKNCSA-N	277.368	1.978	10	20	CDCD	
O=C(NCc1cccc(O)c1O)c1cnn2c1CCCC2	1347234330	MWAQDNLPZXSVRB-UHFFFAOYSA-N	287.319	1.561	10	20	CDCD	
Cc1c(CC(=O)NCc2ccc(N)cc2)cnn1C	1263303772	HWKPKFJJLFKYCV-UHFFFAOYSA-N	258.325	1.170	10	20	CDCD	
CCCc1nc(C(=O)NCc2cccc(O)c2O)co1	1347541722	HFBZWVABWIGQBG-UHFFFAOYSA-N	276.292	1.968	10	20	CDCD	
C[C@H](CN(C)C(=O)c1ccc(N=NC(N)=O)cc1)C(=O)O	1603155969	OQRGUWGQRAEPPL-MRVPVSSYSA-N	292.295	1.642	10	20	CDCD	
OCCOCCCNCc1c(O)cccc1Cl	227333824	YXNYGKHNMDOCEN-UHFFFAOYSA-N	259.733	1.534	10	20	CDCD	
Nc1ccc(CNC(=O)c2cccc(-c3nc[nH]n3)c2)cc1	1580445417	CDDASUIDNOQMID-UHFFFAOYSA-N	293.330	1.984	10	20	CDCD	
CCN1CCc2cc(CNC[C@@](C)(O)CC(=O)O)ccc21	1776877446	JGGVSBGNIKCKIZ-INIZCTEOSA-N	292.379	1.384	10	20	CDCD	
Cc1cc(CNCc2ccc3c(c2)CCO3)nn1C	840888509	GGRMVJQKJSXEOC-UHFFFAOYSA-N	257.337	1.953	10	20	CDCD	
CO[C@@H]1CCN(Cc2cc3c(cc2O)OCO3)C[C@H]1C	824815659	WABLXNQKVJMWJI-ZWNOBZJWSA-N	279.336	1.978	10	20	CDCD	
COc1cccc(O)c1CN1CCC[C@@H]([C@H](C)N)C1	843052777	WEAVCUZHBYPHHW-NWDGAFQWSA-N	264.369	1.960	10	20	CDCD	
COc1ccc(CNC[C@H]2CCS(=O)(=O)C2)cc1C	37982775	LZAXSJJAODTHMA-CYBMUJFWSA-N	283.393	1.528	10	20	CDCD	
Cc1nnc2c(NCc3ccccc3O)nccn12	163769836	DHFTVHILVGMIBA-UHFFFAOYSA-N	255.281	1.750	10	20	CDCD	
C[C@@H](N[C@H]1CCCNC1=O)c1ccc(N(C)C)cc1	50395133	QMBKARQQPGIJMK-RISCZKNCSA-N	261.369	1.682	10	20	CDCD	
O=C(CN[C@H]1CCc2cccc(O)c21)NCC(F)F	296391795	JXIDCEBYKJBWCP-VIFPVBQESA-N	270.279	1.350	10	20	CDCD	
CNC(=O)C[C@H](C)NCc1ccc(OC)c(C)c1	322675411	GUPOLWANQMXJEZ-NSHDSACASA-N	250.342	1.618	10	20	CDCD	
C[C@@H]1OCC[C@@]1(O)CNCc1cc(F)cc(F)c1O	708535558	MOJWSPMWPJSNLE-ISVAXAHUSA-N	273.279	1.300	10	20	CDCD	
CN(CC(C)(C)S(C)(=O)=O)C(=O)Nc1ccc(N)cc1	713930186	BYRUNUZPJMLHMG-UHFFFAOYSA-N	299.396	1.556	10	20	CDCD	
CN(Cc1cc(Br)ccc1O)[C@H]1CCNC1=O	770383440	VIZRKPZPEPBMRA-JTQLQIEISA-N	299.168	1.475	10	20	CDCD	
COc1ccc(O)c([C@@H](C)N[C@@H]2CCC[C@H]2O)c1	834915637	SKVAJKNBLAXPAR-GAJTVXKRSA-N	251.326	1.965	10	20	CDCD	
Cc1cc(CN2CCNC(=O)C2)c(O)c(C(C)(C)C)c1	119481922	HLQQEXHMSKQMST-UHFFFAOYSA-N	276.380	1.930	10	20	CDCD	
C[C@H](N[C@H]1CCOC1=O)c1ccc(N2CCOCC2)cc1	112536866	ZXFFRJNLIKYUMB-WFASDCNBSA-N	290.363	1.489	10	20	CDCD	
Oc1cccc(Cl)c1CNCCCN1CCC(O)CC1	116914733	OTYCXDMETGPWEE-UHFFFAOYSA-N	298.814	1.982	10	20	CDCD	
Nc1ccc(CNC(=O)C2(F)CCOCC2)cc1	1343566831	LAZBWLVVZGYMLM-UHFFFAOYSA-N	252.289	1.404	10	20	CDCD	
C[C@H](NC[C@@]1(O)CCOC1)c1ccc(F)cc1O	186177675	JBDXYNPWDIBACM-ZANVPECISA-N	255.289	1.333	10	20	CDCD	
OCC[C@H](NCc1cc2c(cc1O)OCO2)c1ccco1	184508524	PLEYVIVXKYWCSX-NSHDSACASA-N	291.303	1.927	10	20	CDCD	
CCCCN1CC(=O)N[C@@H]1c1ccc(O)c(O)c1	77475009	BIRNKQXHOPYVGZ-ZDUSSCGKSA-N	250.298	1.328	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)c1ccc([N+](=O)[O-])o1	182542263	XWJOGCNVZSWANL-UHFFFAOYSA-N	278.220	1.529	10	20	CDCD	
C[C@@H](NCCOCCN(C)C)c1ccccc1O	219321524	GVFQKPBYXXZHJZ-GFCCVEGCSA-N	252.358	1.621	10	20	CDCD	
Cc1ccc([C@H](C)NCC(C)(C)C(N)=O)c(O)c1	186221576	RVWLMTIYHBAQSD-JTQLQIEISA-N	250.342	1.863	10	20	CDCD	
CC(C)NC(=O)CCCC(=O)NCCc1ccc(N)cc1	236629548	BCWBKEHGOCQSKB-UHFFFAOYSA-N	291.395	1.622	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CC2CCNCC2)cc1F	237081941	NDCSWHOPQKENTI-UHFFFAOYSA-N	293.386	1.898	10	20	CDCD	
CC[C@H](CO)N[C@@H](C)c1ccc(N2CCOCC2)cc1	268712505	KWZJYUSVLYKRCB-DZGCQCFKSA-N	278.396	1.945	10	20	CDCD	
CCOC(=O)C1(C(=O)N(C)Cc2ccccc2O)CC1	269157404	QZKFFGJURDYUCV-UHFFFAOYSA-N	277.320	1.694	10	20	CDCD	
CC(C)[C@@H](CO)N[C@H](C)c1cc([N+](=O)[O-])ccc1O	273619899	YRVYRUBOTCNIKD-BXKDBHETSA-N	268.313	1.968	10	20	CDCD	
COC[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1	272627645	JYQGDSWOPRPIKG-OGOUPESXSA-N	277.320	1.606	10	20	CDCD	
Cc1cc(C(=O)N2CCOc3cc(N(C)C)ccc32)cnn1	276501277	JMYKCNIAUHJHNY-UHFFFAOYSA-N	298.346	1.890	10	20	CDCD	
COc1ccc(O)c(CNc2cnccc2-n2ccnn2)c1	377699899	QVHXZOQMZAGWER-UHFFFAOYSA-N	297.318	1.989	10	20	CDCD	
C[C@H](CN)C(=O)NCc1ccc(N2CCCC2)cc1	285841938	WMJMLWTVTYDHAO-GFCCVEGCSA-N	261.369	1.498	10	20	CDCD	
OCCCN1CCC[C@@H](NCc2cccc(Cl)c2O)C1	295209136	ZTOIXHOVTIENGS-CYBMUJFWSA-N	298.814	1.982	10	20	CDCD	
CNC(=O)[C@H](C)N[C@H](C)c1c(C)cc(C)cc1O	294415004	UABMHWDJIQCJLV-MNOVXSKESA-N	250.342	1.794	10	20	CDCD	
COC[C@H](O)CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1	801763848	OJKHUSLXOZPKTG-BXUZGUMPSA-N	295.383	1.120	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H]1CCC(=O)N1	816822342	HYGWAMMZTBWNKD-ZDUSSCGKSA-N	289.379	1.380	10	20	CDCD	
CCOc1cccc(CN2C[C@H](CO)OC(C)(C)C2)c1O	817412058	BXLFPCPAWFDCKW-CYBMUJFWSA-N	295.379	1.763	10	20	CDCD	
CN(C(=O)c1cccc(O)c1O)[C@H]1CC(C)(C)OC1=O	817072169	YSPXCXCNKLVYNX-VIFPVBQESA-N	279.292	1.264	10	20	CDCD	
C[C@@H](CNCCCSc1nccs1)S(C)(=O)=O	819062594	GHQZDVBBICPLIE-VIFPVBQESA-N	294.467	1.648	10	20	CDCD	
Cc1cc(CN2CCOC[C@H]2CO)ccc1N(C)C	815102591	KKDYUNPTDUXABU-CQSZACIVSA-N	264.369	1.254	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)CC[C@@H]2CCNC2)c1	828666909	JYPYJNTZOJHOBN-NWDGAFQWSA-N	292.379	1.968	10	20	CDCD	
CC[C@H](Sc1ncc(C(=O)OC)s1)C(=O)OC	829677513	ALOMJAFRERFURD-LURJTMIESA-N	275.351	1.973	10	20	CDCD	
CN(C[C@@H](O)C(F)(F)F)C(=O)c1c(F)ccc(O)c1O	827803345	MQAWOCYBHMIEEX-SSDOTTSWSA-N	297.204	1.232	10	20	CDCD	
COc1ccc(O)c(CN2CC[C@@H](CCCO)C2)c1	825338143	MLVNHNDWGZAAKM-GFCCVEGCSA-N	265.353	1.995	10	20	CDCD	
C[C@H](N[C@@H]1COC[C@H]1C)c1cc([N+](=O)[O-])ccc1O	903394563	DFECEXMRSWCEIH-VDDIYKPWSA-N	266.297	1.986	10	20	CDCD	
O=C(NCc1ccccc1O)c1cnc(C2CC2)nc1O	901123158	IJYGDTSWCSPMNZ-UHFFFAOYSA-N	285.303	1.695	10	20	CDCD	
Cc1cc(CN2CC[C@H](O)[C@@H](CO)C2)ccc1N(C)C	839665049	GLJSIWJQFKWVFX-ZBFHGGJFSA-N	278.396	1.236	10	20	CDCD	
CCOc1ccc(CNC[C@@H](O)C2CC2)c(O)c1	734844603	QKPRTKRKIUWCRR-CQSZACIVSA-N	251.326	1.651	10	20	CDCD	
CCCN1CCC[C@H]1CNC(=O)c1c(F)ccc(O)c1O	831944232	RDKWQSLBIZKMPG-JTQLQIEISA-N	296.342	1.841	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2[C@H]3CC[C@H]2COC3)c1O	839180108	RHIPXMYJGYNWAD-QWRGUYRKSA-N	294.307	1.672	10	20	CDCD	
CCCCOCC(=O)N(CC(=O)O)Cc1ccccc1O	911486214	NGBDVRNYLGDRHF-UHFFFAOYSA-N	295.335	1.622	10	20	CDCD	
O=C(CCCn1cccn1)NCc1ccc(O)cc1O	910955699	SQIGAOKGBABYQY-UHFFFAOYSA-N	275.308	1.391	10	20	CDCD	
CSCCCNC(=S)NCc1cccn1C	743061332	ISNWHSUHVMXJMZ-UHFFFAOYSA-N	257.428	1.742	10	20	CDCD	
CN(C)c1ccc([C@H](N)CNCc2ccc(N)nc2)cc1	843125866	KAXBIZKDZVCHJG-OAHLLOKOSA-N	285.395	1.519	10	20	CDCD	
CCC[C@@H](C)N(C)Cc1cc(O)n2ncc(C(=O)O)c2n1	846239656	SXJVRCSSOIFUQK-SECBINFHSA-N	292.339	1.754	10	20	CDCD	
C[C@@H](NC[C@@H]1CN(C)CCN1C)c1ccc(Cl)cc1O	841762247	IJKVUPKBTSQLRW-DGCLKSJQSA-N	297.830	1.942	10	20	CDCD	
O=C(NCC[C@]1(O)CCCOC1)NCc1ccccc1O	844940259	VKNQWIXBZROJRE-OAHLLOKOSA-N	294.351	1.123	10	20	CDCD	
COC[C@H](CO)N[C@H](C)c1cccc(OC)c1O	846166839	DIHHJBMLRUPDBU-ZJUUUORDSA-N	255.314	1.059	10	20	CDCD	
CCN1C(=O)C(C)(C)N[C@H]1c1cccc(OC)c1O	840832027	JYUQZBRZOCEEPB-GFCCVEGCSA-N	264.325	1.630	10	20	CDCD	
CC(C)N(C)C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1	842784977	JIBQBACSKPRPJP-CQSZACIVSA-N	278.400	1.802	10	20	CDCD	
CCCCN(CC)Cc1cc(O)n2ncc(C(=O)O)c2n1	846228378	NXNFZBYQFUFXAD-UHFFFAOYSA-N	292.339	1.755	10	20	CDCD	
COc1ccc(N(C)CCN(C)C[C@@H](C)N)cc1	846225360	NFZXQLQVPYWZCU-GFCCVEGCSA-N	251.374	1.410	10	20	CDCD	
CCNC(=O)CN(C)Cc1cc(C)c(C)cc1O	921029717	VAOQCGWXBNUOGP-UHFFFAOYSA-N	250.342	1.577	10	20	CDCD	
CN(C)c1cc(F)c(CN[C@@H](CO)C2CC2)cc1F	858137801	GVLOLFUEBOZDKA-ZDUSSCGKSA-N	270.323	1.891	10	20	CDCD	
CC(C)COC(=O)COC(=O)c1cccc(O)c1O	758547320	JWNSVUKNITWVTB-UHFFFAOYSA-N	268.265	1.454	10	20	CDCD	
Cc1nnsc1C(=O)NCc1ccc(O)c(O)c1	754666325	ZCUIRVHTIOMNMI-UHFFFAOYSA-N	265.294	1.188	10	20	CDCD	
O=C(Cc1nc[nH]n1)NCc1ccc(N2CCCC2)cc1	864861940	HPHGDALTGNHVRL-UHFFFAOYSA-N	285.351	1.264	10	20	CDCD	
C[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)C(C)(C)O	779531559	OHKLWHSDLSYNMH-PGBBXKAQSA-N	265.309	1.387	10	20	CDCD	
Cc1noc([C@H](C)NC(=O)/C=C/c2ccc(O)c(O)c2)n1	779506651	RLYMDNWGASLYIW-JQTRYQTASA-N	289.291	1.680	10	20	CDCD	
Cc1cccc(O)c1CN[C@H]1CC(=O)N(C(C)C)C1	877052197	QEBKKUJGPIZJEU-LBPRGKRZSA-N	262.353	1.800	10	20	CDCD	
Nc1ccc(CC(=O)NC[C@H]2Cc3ccccc3CN2)cc1	877347772	QOYQIQDSUSVGCF-QGZVFWFLSA-N	295.386	1.642	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNCc2cocn2)c1O	775027876	MDFFABQJGUGMAE-UHFFFAOYSA-N	279.252	1.587	10	20	CDCD	
C[C@H](C[C@@H]1COCCN1)NCc1ccc(N(C)C)cc1	133462824	CWVRVQKUUCOCOW-UKRRQHHQSA-N	277.412	1.609	10	20	CDCD	
Oc1c(F)cc(Cl)cc1CNC[C@]1(O)CCOC1	776252108	NWKCPHLDVYDZGB-GFCCVEGCSA-N	275.707	1.426	10	20	CDCD	
C[C@H](NC[C@@H](O)C1CCOCC1)c1c(O)cccc1F	886550093	SDYXORFMJUQFAA-IINYFYTJSA-N	283.343	1.969	10	20	CDCD	
CC[C@]1(CO)CCCN1C(=O)c1cccc(O)c1O	784727163	VOHBSEQYUXMRCM-CQSZACIVSA-N	265.309	1.475	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H]2COC[C@@H]2C)c1O	896734819	XJTLVXUOKJSEHM-WCBMZHEXSA-N	282.296	1.434	10	20	CDCD	
COc1cc(C)cc(CN2CCC[C@@H](CO)C2)c1O	893864691	YUPIQXCUBRYWKJ-GFCCVEGCSA-N	265.353	1.914	10	20	CDCD	
COc1ccc(CN2C[C@H](O)C[C@@H]2C)c(O)c1OC	893949442	NQCDTRCVGWKZCT-GXSJLCMTSA-N	267.325	1.365	10	20	CDCD	
COc1cc(O)c(CN[C@@H]2COC[C@H]2C)cc1OC	896738091	YEZKPDIRXZYPTH-MWLCHTKSSA-N	267.325	1.534	10	20	CDCD	
COC(=O)N1CC(C)(NCc2ccc(OC)c(C)c2)C1	894543399	XCQMKJUKXXAVQK-UHFFFAOYSA-N	278.352	1.934	10	20	CDCD	
COc1cc(C)cc(CN[C@@H](C)CO[C@@H]2CCOC2)c1O	894338717	JNYJPQNWBGICMZ-GXTWGEPZSA-N	295.379	1.993	10	20	CDCD	
COCCO[C@H]1CCN(Cc2cc(F)ccc2O)C1	188824656	JUZMCZXYZUNKSR-ZDUSSCGKSA-N	269.316	1.769	10	20	CDCD	
CCN1CC[C@@H](N[C@H](C)c2cc(OC)ccc2O)C1=O	708695614	KPMPLTUHUIIPPW-ZWNOBZJWSA-N	278.352	1.672	10	20	CDCD	
Cn1cc(/C=C\C(=O)N2C[C@H](O)Cc3ccccc32)cn1	790156770	QDNGIIPDZOHSOV-LMVHVUTASA-N	283.331	1.384	10	20	CDCD	
Cc1c[nH]nc1C(=O)NCc1ccc(N(C)C)cc1	799408925	FQOQRSQOSSWRGH-UHFFFAOYSA-N	258.325	1.714	10	20	CDCD	
CCOc1cccc(CN2CCOC[C@H]2C(=O)O)c1O	88382063	VJCFKINNNWBKJK-NSHDSACASA-N	281.308	1.076	10	20	CDCD	
Cc1nnc(CNC(=O)N(C)Cc2ccccc2O)n1C	1318598099	FETGKIKMYFLHTP-UHFFFAOYSA-N	289.339	1.171	10	20	CDCD	
COC1CC(C(=O)NCc2ccc(N(C)C)c(F)c2)C1	1329179253	PRVBEJBSGPTVMK-UHFFFAOYSA-N	280.343	1.933	10	20	CDCD	
CN(C)c1ccc(CN2CCC[C@](O)(C(=O)O)C2)cc1	1777039519	WDEDZYRKOPOFJV-OAHLLOKOSA-N	278.352	1.164	10	20	CDCD	
CCN(CC)c1ccc(CN[C@H](CCO)C(=O)O)cc1	1339254041	FRAFRSRDFFZRKE-CQSZACIVSA-N	280.368	1.458	10	20	CDCD	
O=C(O)[C@H](Cc1cncs1)NCc1ccccc1O	1601661456	FKUDXGDCQHXSON-NSHDSACASA-N	278.333	1.634	10	20	CDCD	
O=C(O)c1nccnc1N1Cc2cccc(O)c2C1	1602581105	PCJJFRRMACJTND-UHFFFAOYSA-N	257.249	1.401	10	20	CDCD	
OCC1(NCc2ccc3c(c2)CCO3)CCOCC1	225772440	IAOKFLJFDNXLGV-UHFFFAOYSA-N	263.337	1.253	10	20	CDCD	
COc1cc(Cl)cc(CN2CC[C@H](CN)C2)c1O	229102653	YILYBYQZBRBXMC-SECBINFHSA-N	270.760	1.835	10	20	CDCD	
C[C@H](NC(=O)C1(C)CNC1)c1ccc(N(C)C)cc1	1576181719	QFBJWRKAPRCTRG-NSHDSACASA-N	261.369	1.539	10	20	CDCD	
NC(=O)c1ccc(/C=C\C(=O)Nc2ccc(N)cc2)o1	1580102346	CMSACHGTDMGKCS-VURMDHGXSA-N	271.276	1.613	10	20	CDCD	
CN(C[C@H]1CCCOC1)C(=O)c1cccc(O)c1O	126418799	LLPQKPBDFHHIFU-SNVBAGLBSA-N	265.309	1.596	10	20	CDCD	
CN(Cc1cc(Cl)ccc1O)C[C@H]1COCCO1	827141565	UMUIRWHETDJVKC-LBPRGKRZSA-N	271.744	1.893	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@@H]1CCCNCC1	846668366	LGGUJDDORBYQJC-GFCCVEGCSA-N	262.353	1.740	10	20	CDCD	
Cc1cccc(O)c1CN[C@H](C)CS(C)(=O)=O	877029038	OMEHRKRSBOBQJS-SNVBAGLBSA-N	257.355	1.223	10	20	CDCD	
COc1ccc(O)c(CN[C@H]2CCN(C)[C@H](C)C2)c1	128108424	SVQFGNJHNMQXCD-YPMHNXCESA-N	264.369	1.973	10	20	CDCD	
COc1ccc(CNCCS(C)(=O)=O)cc1C	37740942	JHZLIQDMBXJEPS-UHFFFAOYSA-N	257.355	1.138	10	20	CDCD	
COc1nccc(CNCc2ccc(N(C)C)cc2)n1	294691113	FYLDIIWRKUOCDS-UHFFFAOYSA-N	272.352	1.841	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@H](C)NC(C)=O)c1	104124966	WINPVQUBUZPHOF-IUCAKERBSA-N	280.324	1.103	10	20	CDCD	
CNC(=O)[C@@H]1CCCN1Cc1cc(F)cc(C(C)=O)c1O	50154510	JQKBUVULTMUUPW-ZDUSSCGKSA-N	294.326	1.444	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CC(=O)N(C)C2)c1	103529888	BQIHVAXXTZXDND-NXEZZACHSA-N	292.335	1.056	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCC[C@@H](C2OCCO2)C1	280758013	XUCXRCBGCAMNSC-SNVBAGLBSA-N	293.319	1.323	10	20	CDCD	
CN(C[C@H](O)C1CC1)C(=O)NCc1ccc(N(C)C)cc1	304788619	QHJRGOYMHRCOGS-HNNXBMFYSA-N	291.395	1.665	10	20	CDCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CCN	32113269	DNFKISBUBMNSGO-UHFFFAOYSA-N	263.385	1.838	10	20	CDCD	
CCOC(=O)CN(C)Cc1ccc(N2CCOCC2)cc1	71123984	NSGBYWQIHAFFEM-UHFFFAOYSA-N	292.379	1.518	10	20	CDCD	
O=C(O)[C@@]1(NCc2ccc3c(c2)CCO3)CCSC1	284235799	NIXALECKVBSGBQ-CQSZACIVSA-N	279.361	1.671	10	20	CDCD	
CCn1nncc1CNCc1cccc(OC)c1O	527726820	KRHJBLPACPLEOO-UHFFFAOYSA-N	262.313	1.302	10	20	CDCD	
CN1CCCc2cc(CNc3nccn(C)c3=O)ccc21	266410974	QMRRRFKOBQYGFJ-UHFFFAOYSA-N	284.363	1.775	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNCC2(O)CCCC2)c1O	278472507	HOYYURBYKRIXLE-UHFFFAOYSA-N	296.323	1.704	10	20	CDCD	
C[C@@H](N[C@H](CO)c1cnn(C)c1)c1ccc(F)cc1O	273521551	UMVCCAOIWDRUNS-NOZJJQNGSA-N	279.315	1.649	10	20	CDCD	
C[C@@H](NC[C@@H](O)c1cnn(C)c1)c1ccccc1O	272879869	QJWLOSXRTNEXMX-QMTHXVAHSA-N	261.325	1.510	10	20	CDCD	
CCN(CCOCCO)Cc1cc(C)ccc1O	282433883	FLWXIDZAWFBNJN-UHFFFAOYSA-N	253.342	1.531	10	20	CDCD	
CC1(C)[C@@H](NC(=O)c2c(F)ccc(O)c2O)C[C@H]1O	295759617	OUKXLSRVWAAJKI-DTWKUNHWSA-N	269.272	1.126	10	20	CDCD	
CN(C[C@H]1CCNC(=O)CC1)c1ccc2c(c1)OCO2	294934909	KOAREGJVVUJGOA-LLVKDONJSA-N	276.336	1.768	10	20	CDCD	
COc1ccccc1NC[C@H](O)COC1CCOCC1	819394213	SSPTVOVKBDHXAG-LBPRGKRZSA-N	281.352	1.664	10	20	CDCD	
Cc1cc(C)c([C@@H](C)NCCCN2CCNCC2)c(O)c1	817935616	KLINVNZRGJFKSH-OAHLLOKOSA-N	291.439	1.955	10	20	CDCD	
CNC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1	818048344	OCBNYBTVOJZWTE-LLVKDONJSA-N	263.341	1.451	10	20	CDCD	
C[C@H](NCC1CNC1)c1ccc(N2CCOCC2)c(F)c1	817965134	MICLMRXKAALHLD-LBPRGKRZSA-N	293.386	1.532	10	20	CDCD	
Cn1cc(/C=C\C(=O)N2CCNCc3ccccc32)cn1	818543343	QHLDXNOXWKLPRL-SREVYHEPSA-N	282.347	1.570	10	20	CDCD	
Cc1ccc(O)c(CN2C[C@@H](N)[C@H](c3cnn(C)c3)C2)c1	818431994	ZXLZDJDLDHONIM-LSDHHAIUSA-N	286.379	1.361	10	20	CDCD	
O=C(O)[C@H]1CCN(Cc2ccc(N3CCOCC3)cc2)C1	821511633	NCNOSKUCCBKGBH-AWEZNQCLSA-N	290.363	1.430	10	20	CDCD	
COC(=O)[C@@H]1CN(Cc2cc(Cl)c(C)cc2O)CCO1	824710678	XVDPOWJJYFZRJK-ZDUSSCGKSA-N	299.754	1.728	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)CC[C@H]2CCNC2)c1	828666907	JYPYJNTZOJHOBN-NEPJUHHUSA-N	292.379	1.968	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1nonc1C	734402979	UQCSNYMAOOZJMW-UHFFFAOYSA-N	274.324	1.682	10	20	CDCD	
CCOC[C@H](C(=O)OC)N(C)C(=O)c1cc(O)cs1	830086656	VOXDAKLTHSSBTB-SECBINFHSA-N	287.337	1.104	10	20	CDCD	
COc1ccc(O)c(CNC(C)(C)CC(=O)O)c1	833733385	GGZWXDWKNRZLNP-UHFFFAOYSA-N	253.298	1.744	10	20	CDCD	
C[C@@H]1CN(Cc2cccc(F)c2O)C[C@@H]1C(=O)O	833628954	CXAVLDTXWMWGCW-SCZZXKLOSA-N	253.273	1.684	10	20	CDCD	
COc1cccc(O)c1CNCc1ccc(C(=O)O)o1	738105916	GFRFMLUHWMIHFY-UHFFFAOYSA-N	277.276	1.982	10	20	CDCD	
COc1cc2c(c(OC)c1)N(Cc1cnnn1C)CCC2	839656848	UJNXBPKEBZBCJK-UHFFFAOYSA-N	288.351	1.785	10	20	CDCD	
Cc1nonc1CC(=O)N(C)Cc1ccc(N(C)C)cc1	845115665	UESZQSRUQJFBCE-UHFFFAOYSA-N	288.351	1.645	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CC[C@H]3NCC[C@@H]3C2)c1O	843385986	GJGSTYYHBCFERE-IAQYHMDHSA-N	292.354	1.918	10	20	CDCD	
CCc1cccc(CN2CC[C@@H](O)[C@@H](CO)C2)c1O	848918199	SAEDCIZEZWRWOP-ZIAGYGMSSA-N	265.353	1.130	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)[C@H]1CCc2c[nH]nc2C1	910950564	HTOJRTKUPQTHFN-VIFPVBQESA-N	287.319	1.242	10	20	CDCD	
CCOc1ccc(CN2CC[C@H](CNC)C2)c(O)c1	843052534	NCNMHGNNEZAAET-GFCCVEGCSA-N	264.369	1.832	10	20	CDCD	
COc1cccc([C@H](C)NC[C@]2(O)CCSC2)c1O	846144510	HIZQNLPZXRXDHC-IINYFYTJSA-N	283.393	1.919	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@H]2NC(=O)O[C@@H]2C)c1	841404584	GTTXDLWNXQHQIO-SXMVTHIZSA-N	294.307	1.075	10	20	CDCD	
CO[C@]1(CNCc2ccc(N(C)C)cc2C)CCOC1	840939736	PESLEKGQGINMRZ-INIZCTEOSA-N	278.396	1.956	10	20	CDCD	
CC(C)[C@H](CO)CNC(=O)NCCc1ccc(N)cc1	841957302	RLOTYENLCLMYRW-ZDUSSCGKSA-N	279.384	1.375	10	20	CDCD	
CCCOc1ccc(CNCC(=O)NOC)cc1C	922828461	RGWXJCUTHXTSON-UHFFFAOYSA-N	266.341	1.551	10	20	CDCD	
CC[C@H](NC(C)=O)C(=O)NCc1ccc(N(C)C)cc1C	865903680	DXVIOPZOVJLPMS-HNNXBMFYSA-N	291.395	1.592	10	20	CDCD	
CN(C)c1cc(F)c(CNC(C)(C)C(=O)O)cc1F	864509776	RVMKDXWCYCBDTC-UHFFFAOYSA-N	272.295	1.984	10	20	CDCD	
C[C@@H]1C[C@@H](O)CN1Cc1cc(F)c(N(C)C)cc1F	862338984	JASKDNILILZIFG-MWLCHTKSSA-N	270.323	1.986	10	20	CDCD	
Cc1cccc(O)c1CNC[C@@H](O)c1cnn(C)c1	877072968	ZMKAYEBSKJMXIZ-CQSZACIVSA-N	261.325	1.257	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2C[C@H](O)C[C@H]2C)c1O	775103445	XZMIYRPTVSLQHY-PSASIEDQSA-N	282.296	1.264	10	20	CDCD	
CCN(CCO)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	776237938	KJENUWFOIUKWBU-GFCCVEGCSA-N	279.384	1.837	10	20	CDCD	
CCON(CC)CC(=O)NCc1ccc(N(C)C)cc1	879796631	OXKGQYUGRCDEJA-UHFFFAOYSA-N	279.384	1.642	10	20	CDCD	
CC(=O)NCC(=O)N[C@@H](C)c1ccc(N(C)C)cc1	773011184	RASHDDALXIUNFV-JTQLQIEISA-N	263.341	1.066	10	20	CDCD	
CCOc1ccc(CN(C)[C@@H](C)C[S@@](C)=O)c(O)c1	776522006	YFCAVZXPEKNSOY-JEOXALJRSA-N	285.409	1.990	10	20	CDCD	
C[C@@H](N[C@H]1CCCCNC1=O)c1c(O)cccc1F	886501401	JEXXTRBKQVSIFZ-KOLCDFICSA-N	266.316	1.851	10	20	CDCD	
O=C(COC(=O)C1CCSCC1)c1ccc(O)c(O)c1	783646096	VUIKQAWTQPLLMK-UHFFFAOYSA-N	296.344	1.967	10	20	CDCD	
CCS(=O)(=O)C[C@H](C)N(C)Cc1cc(C)ccc1O	93417305	ZHAJXZNXYGRRNI-LBPRGKRZSA-N	285.409	1.956	10	20	CDCD	
Cc1ccc(CN2[C@H](C)C(=O)N[C@H](C)[C@H]2C)c(O)c1	895123552	YMDXJKMWBXPYIQ-IJLUTSLNSA-N	262.353	1.798	10	20	CDCD	
C=Cn1cc(CNCc2ccc(OC)cc2O)cn1	793388462	OMEAZDGUVNDBPI-UHFFFAOYSA-N	259.309	1.988	10	20	CDCD	
O=C(NC[C@H]1CCN(C2CC2)C1)c1cccc(O)c1O	192984717	FXYMCYRORFQOAT-SNVBAGLBSA-N	276.336	1.312	10	20	CDCD	
Nc1ccc(CNC(=O)Cn2cc(C3CC3)nn2)cc1	1342023145	SPKZCBPBTXRASZ-UHFFFAOYSA-N	271.324	1.054	10	20	CDCD	
NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1ccc(N)cc1	1345160172	SSJDLUDXNXELSK-BNOWGMLFSA-N	259.353	1.355	10	20	CDCD	
NCC[C@H]1CCCN(C(=O)NCc2ccc(N)cc2)C1	1353540879	YVWNJBSTJLQBLG-CYBMUJFWSA-N	276.384	1.539	10	20	CDCD	
C[C@H](NC(=S)NCCCC(=O)O)c1ccccc1O	1607460934	IZWMKFAIKGPXOH-VIFPVBQESA-N	282.365	1.782	10	20	CDCD	
Cc1cc(O)c(CN[C@H](C(=O)O)c2ccn(C)n2)cc1C	1607699108	HFXVSJSNTCDFIK-AWEZNQCLSA-N	289.335	1.658	10	20	CDCD	
CC[C@H](C)[C@H](NC(=O)Cc1ccc(O)c(O)c1)C(=O)O	1605756131	LQRXZNGDKZNBKD-SDBXPKJASA-N	281.308	1.256	10	20	CDCD	
COc1cc(C)c(CNC[C@@]2(C)CNCCO2)c(O)c1	1579145360	ZBJHIEHSPLAHCK-OAHLLOKOSA-N	280.368	1.177	10	20	CDCD	
C[C@@H](CC(=O)O)CC(=O)NCc1ccc(O)c(O)c1	1592388004	LWOQUFHDCIURRO-MRVPVSSYSA-N	267.281	1.215	10	20	CDCD	
COc1ccc(O)c(CN[C@H](C)[C@H]2C[C@@H]2C(=O)O)c1	1599598989	YQDKYGYXTATHHQ-FXAINCCUSA-N	265.309	1.600	10	20	CDCD	
CC[C@@H](N[C@@H](C)c1cc(C(=O)O)ccc1O)C(=O)NC	1595279205	MTDNFSUHHXJZEU-GZMMTYOYSA-N	280.324	1.266	10	20	CDCD	
O=C(O)[C@H](C(=O)NCc1ccc(O)cc1O)C1CCCC1	1594834481	XIZLXBPCLMFUMG-ZDUSSCGKSA-N	293.319	1.605	10	20	CDCD	
CO[C@@H]1CN(Cc2ccc(N(C)C)cc2)[C@](C)(C(=O)O)C1	1777172858	GWALMUZYXWAFBO-HOCLYGCPSA-N	292.379	1.817	10	20	CDCD	
COc1ccc(O)c([C@H](C)N[C@@H]2CCOC2=O)c1	19876493	WROHYFKAAHXSCZ-GZMMTYOYSA-N	251.282	1.367	10	20	CDCD	
CC[C@H]1CN(C)CCCN1C(=O)c1cccc(O)c1O	234059476	NRBNEPDHRJZTKV-NSHDSACASA-N	278.352	1.654	10	20	CDCD	
CN(C(=O)c1cnn2c1CCC2)c1ccc(N)cc1	877077686	QWVRWDDBQJFDOP-UHFFFAOYSA-N	256.309	1.688	10	20	CDCD	
CC(C)S(=O)(=O)CC(=O)N(C)c1ccc(N)cc1	37687140	DJSDXQXWKHKNIC-UHFFFAOYSA-N	270.354	1.055	10	20	CDCD	
COc1ccc(O)c(CNCc2cnn(C)c2C)c1	162525131	STJKNONJSDHBQF-UHFFFAOYSA-N	261.325	1.733	10	20	CDCD	
COCC[C@@H](CO)N[C@@H](C)c1cc(OC)ccc1O	281567914	KGXRHSIAQCVCIR-QWRGUYRKSA-N	269.341	1.449	10	20	CDCD	
C[C@H](C[S@](C)=O)N[C@H]1CCc2cccc(O)c21	296409293	KUESNOZDRRGGON-NVTQBHAOSA-N	253.367	1.736	10	20	CDCD	
COc1ccc(N2CCN(C(=O)C(C)(C)O)CC2)cc1	189961413	WXZJQYASOCQPRN-UHFFFAOYSA-N	278.352	1.115	10	20	CDCD	
CCc1cccc(CNC2(CO)CCOCC2)c1O	691438647	QSCDSPKQMKNPTO-UHFFFAOYSA-N	265.353	1.586	10	20	CDCD	
COc1cccc(CNC(=O)c2ccn(C)c(=O)c2)c1O	105651792	GNHLXRJEFFUJGF-UHFFFAOYSA-N	288.303	1.030	10	20	CDCD	
Cc1ccc(C(=O)NC[C@](C)(O)c2ccco2)c(O)c1O	179529215	CNVJHTDHJFBOFR-HNNXBMFYSA-N	291.303	1.637	10	20	CDCD	
C[C@H](NC[C@H]1CCCN1S(C)(=O)=O)c1ccccc1O	183628602	HSTJVMHVNREZKL-NWDGAFQWSA-N	298.408	1.467	10	20	CDCD	
O=C(NCc1ccc(N2CCCC2)cc1)C1(O)CCC1	185711729	IKILJZCZSOWKRM-UHFFFAOYSA-N	274.364	1.818	10	20	CDCD	
COC(=O)[C@H]1[C@@H](O)CCCN1Cc1cccc(Cl)c1O	188785594	UDIHKEIHLODYRR-NWDGAFQWSA-N	299.754	1.544	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2ccnn2C)cc1F	123656842	YRVHDONYZUFQSL-UHFFFAOYSA-N	276.315	1.555	10	20	CDCD	
CSC[C@@](C)(O)CNCc1cc(F)ccc1O	180787307	IQJWBXCGIYFIRN-LBPRGKRZSA-N	259.346	1.735	10	20	CDCD	
CNC(=O)c1ccc(NC(=O)Cc2ccc(N)cc2)cc1	37016172	LREUCCRRWALZBB-UHFFFAOYSA-N	283.331	1.810	10	20	CDCD	
COc1cccc(CN2CCC[C@@](C)(O)C2)c1O	129527368	ZASMRFKQZBIVHQ-CQSZACIVSA-N	251.326	1.748	10	20	CDCD	
CCOCC(=O)NCc1ccc(N2CCOCC2)c(F)c1	77666271	SZAPLAVJKGHIKP-UHFFFAOYSA-N	296.342	1.315	10	20	CDCD	
CCNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	73043157	DQKMKVIVSAAEQS-UHFFFAOYSA-N	277.368	1.685	10	20	CDCD	
CCOCc1cc(CNCC(F)(F)CO)ccc1OC	183865578	ZGKKWFFOMDAHQA-UHFFFAOYSA-N	289.322	1.949	10	20	CDCD	
CCOCCCNC(=O)NCc1cccc(OC)c1O	73438323	ITZRSZDCEHSROK-UHFFFAOYSA-N	282.340	1.627	10	20	CDCD	
COC[C@@H](CO)NCc1cc(Cl)cc(OC)c1O	234867178	JZWSCKHUYUQJOK-SNVBAGLBSA-N	275.732	1.151	10	20	CDCD	
CC(C)[C@@H]1C(=O)NCCN1Cc1cc2c(cc1O)OCO2	93055442	ABGDUERHLVBALG-CQSZACIVSA-N	292.335	1.077	10	20	CDCD	
CN(Cc1ccccc1O)S(=O)(=O)Cc1ccon1	269851088	XLOLNLGUGBDAKL-UHFFFAOYSA-N	282.321	1.342	10	20	CDCD	
C[C@@H](OC[C@@H]1CCCO1)C(=O)NCc1ccc(O)c(O)c1	272270474	DAVVOGMAXXTHGE-PWSUYJOCSA-N	295.335	1.298	10	20	CDCD	
COc1cc(O)c(CNCCC[C@@H](C)O)cc1OC	279347756	FQMGWCSVQAOHTL-SNVBAGLBSA-N	269.341	1.660	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)CCc1c[nH]cn1	276490594	UTIDSXKZFUTGBE-UHFFFAOYSA-N	259.309	1.707	10	20	CDCD	
C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)c1cccc(O)c1O	288194399	CFOJFPXTXGIAFJ-VXGBXAGGSA-N	290.363	1.797	10	20	CDCD	
COc1ccc(N(C)Cc2ncnn2CCF)c(OC)c1	281591221	GYCNZEQAECOTRI-UHFFFAOYSA-N	294.330	1.901	10	20	CDCD	
Cc1ccc(C(=O)NCCC2(O)CCOCC2)c(O)c1O	286191608	QZBSTXJTYUKZKX-UHFFFAOYSA-N	295.335	1.068	10	20	CDCD	
CNc1ccc(C(=O)NCc2cccc(OC)c2O)cn1	802781658	FFPYPFWFEHBWNE-UHFFFAOYSA-N	287.319	1.768	10	20	CDCD	
COC(=O)COc1ccc(N(C)Cc2nc(C)n[nH]2)cc1	293118282	KHFZVYCPSBSBPL-UHFFFAOYSA-N	290.323	1.301	10	20	CDCD	
CC(=O)C(=O)CSc1nc(=O)ccn1C(C)C	808021340	JFBAWGKBLBZZHU-UHFFFAOYSA-N	254.311	1.074	10	20	CDCD	
COCC(=O)NCc1ccc(N2CCC(CO)CC2)cc1	299157334	NLLNYKKCEHSVBL-UHFFFAOYSA-N	292.379	1.158	10	20	CDCD	
O=C(CCCNC(=O)C1CC1)NCc1ccccc1O	299550638	LHQTYLSNQRCSCB-UHFFFAOYSA-N	276.336	1.315	10	20	CDCD	
COCCNCCN[C@@H](C)c1cc(C)ccc1O	817964827	KLPJZISKBZDWCP-LBPRGKRZSA-N	252.358	1.587	10	20	CDCD	
CC(C)N(C)C[C@H](C)NC(=O)NCc1ccccc1O	811931364	ZXXPBFIRDPHRAF-LBPRGKRZSA-N	279.384	1.920	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)CN2CCCC2)c1	821066563	ZIVDSYPFNOECEA-LLVKDONJSA-N	278.352	1.674	10	20	CDCD	
Cc1cccc(CN2CCC[C@H](NC(=O)N(C)C)C2)c1O	825278910	KZHSIAYGWNQERP-AWEZNQCLSA-N	291.395	1.936	10	20	CDCD	
O=C(/C=C/c1cncc(O)c1)N1C[C@H](CO)c2ccccc21	492975444	VBEBRMDIYMJVAA-URWSZGRFSA-N	296.326	1.923	10	20	CDCD	
COc1cccc(O)c1CNC[C@H]1CCOC[C@H]1OC	824709196	OOWTTXQAPQXADK-IAQYHMDHSA-N	281.352	1.542	10	20	CDCD	
Cc1cc(O)c(CN[C@@H](C)C(=O)NCCF)cc1Cl	825773988	SKIOIPYUEOIQMJ-VIFPVBQESA-N	288.750	1.918	10	20	CDCD	
Cc1cc(C(=O)COC(=O)CO)c(C)n1-c1ccccc1	909126461	PZMQCQWNOPBGPK-UHFFFAOYSA-N	287.315	1.812	10	20	CDCD	
CC[C@H](C[C@@H](C)CO)NC(=O)c1c(F)ccc(O)c1O	827472415	GFIXEWBVVLTLAB-RKDXNWHRSA-N	285.315	1.764	10	20	CDCD	
CN(C)c1ccc(CNc2ccc(-c3nn[nH]n3)nc2)cc1	821589307	HSGXXPGYRHMWHZ-UHFFFAOYSA-N	295.350	1.940	10	20	CDCD	
CCN(CC)c1ccc(CN(C)C(=O)CCC(N)=O)cc1	905457120	NQMVBGOTZBKJIC-UHFFFAOYSA-N	291.395	1.757	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@H]2C[C@@H]2C(=O)O)c1	738041439	JUSVCIQVGNFFQH-SWPVVBRQSA-N	279.292	1.299	10	20	CDCD	
COc1cc(Cl)cc(CNC[C@@]2(C)CCC(=O)N2)c1O	835060437	LRIMVGAAUIAQGI-CQSZACIVSA-N	298.770	1.813	10	20	CDCD	
Cc1ccc(C(=O)NO[C@H](CO)C(C)C)c(O)c1O	836895800	XSJAKTMGCFRSRH-SNVBAGLBSA-N	269.297	1.085	10	20	CDCD	
O=C(NC1CCC(C(=O)O)CC1)c1cc(O)cs1	738481180	GOLNHIFKLCRDIQ-UHFFFAOYSA-N	269.322	1.827	10	20	CDCD	
O=C(NCc1ccccc1O)c1cncnc1C1CC1	836777931	RQEZNGOWULHKBW-UHFFFAOYSA-N	269.304	1.990	10	20	CDCD	
Cc1cc(O)c(CN2CCO[C@H](CN)C2)cc1C	843068574	LFBQRMSRANBCRS-CYBMUJFWSA-N	250.342	1.169	10	20	CDCD	
CN1CC[C@@H](NC(=O)NCc2cc(Cl)ccc2O)C1=O	845000922	ACYPZSYLGYTGDA-SNVBAGLBSA-N	297.742	1.076	10	20	CDCD	
COc1cccc([C@@H](C)NCC(=O)NC(C)C)c1O	846135146	BPBKYZKVLXFBAH-SNVBAGLBSA-N	266.341	1.576	10	20	CDCD	
CC(C)[C@@H](CNCc1cc2c(cc1O)OCO2)C(=O)O	848640973	XFAHVUALFYWXAD-SNVBAGLBSA-N	281.308	1.567	10	20	CDCD	
CC[C@@H](N)CNC(=O)NCc1ccc(N2CCCC2)cc1	841709117	CAIQOTRKTYWQED-CQSZACIVSA-N	290.411	1.823	10	20	CDCD	
CC(C)[C@H](N)CNCc1cc2c(cc1O)OCO2	841028148	BQYJRHTYKGVMMO-SNVBAGLBSA-N	252.314	1.194	10	20	CDCD	
O=C(NCc1cc(Cl)ccc1O)[C@H]1CCCO1	846477944	XXYLJMRCCGCZIS-LLVKDONJSA-N	255.701	1.841	10	20	CDCD	
CC[C@H](C(=O)N[C@@H](C)c1cc(OC)ccc1O)[C@@H](C)O	842232918	WJXLVCQTALFPAT-UMNHJUIQSA-N	281.352	1.985	10	20	CDCD	
COc1ccc(O)c(CN[C@@H]2CCC[C@@H](N)C2)c1	841056777	DXGIUEWLUHBSFM-VXGBXAGGSA-N	250.342	1.760	10	20	CDCD	
C[C@@H]1CNCCN1Cc1ccc(N(C)C)c(F)c1	843046767	ARGAHQPNHDTPHP-LLVKDONJSA-N	251.349	1.685	10	20	CDCD	
CCCN(CCS(=O)(=O)NC)Cc1ccccc1O	856727460	NPIYINCNZVIXST-UHFFFAOYSA-N	286.397	1.153	10	20	CDCD	
CC[C@H](NCCN1CC[C@H](O)C1)c1ccc(N(C)C)cc1	858598395	DRINWWGKOVDHNW-IRXDYDNUSA-N	291.439	1.860	10	20	CDCD	
COC(=O)N1CCC(C(=O)Nc2ccc(N)cc2)CC1	851633820	VDCXCMIELNCOQK-UHFFFAOYSA-N	277.324	1.686	10	20	CDCD	
COc1ccc(O)c(CNC(=O)NCCOCCF)c1	853737384	FQRPFLGVFYEHGG-UHFFFAOYSA-N	286.303	1.186	10	20	CDCD	
CON(C)C(=O)[C@H](C)N[C@@H](C)c1ccc(N(C)C)cc1	858582027	LELOATDKSJEIFK-RYUDHWBXSA-N	279.384	1.812	10	20	CDCD	
CC1(C)CCN[C@H]1C(=O)NCCc1ccc(N)cc1	852795586	ISZHWRSAEBMXRC-ZDUSSCGKSA-N	261.369	1.316	10	20	CDCD	
CC(=O)N1CC[C@@H](N[C@H](C)c2ccc(C)cc2O)C1	857083949	CAZCBRIBXGJPCG-DGCLKSJQSA-N	262.353	1.972	10	20	CDCD	
COc1cccc(CN(C)CCNC(=O)N(C)C)c1O	757867455	VENVDFNDNNNOMW-UHFFFAOYSA-N	281.356	1.104	10	20	CDCD	
CN(CCCN1CCCC1=O)c1ccc2c(c1)OCO2	756654118	FPZQRFMFEVLDCR-UHFFFAOYSA-N	276.336	1.864	10	20	CDCD	
CC[C@@H](CCO)N[C@@H](C)c1cc(C(=O)OC)ccc1O	756604264	MLEGRBCZAMLGSD-JQWIXIFHSA-N	281.352	1.990	10	20	CDCD	
Cc1nocc1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	867302516	QIEJVNQSMVWXBL-QMMMGPOBSA-N	276.292	1.755	10	20	CDCD	
COC[C@@H]1CCN(Cc2cc3c(cc2O)OC[C@H]3O)C1	768446218	LCXPKFKSIRWELT-QMTHXVAHSA-N	279.336	1.286	10	20	CDCD	
C[C@H](CNC(=O)N[C@H](C)c1ccccc1O)C(=O)O	874407132	KXXBHLQSZIYZKK-RKDXNWHRSA-N	266.297	1.473	10	20	CDCD	
CN(CC(=O)NCc1ccc(O)c(O)c1)[C@@H]1CCSC1	778927674	SNUJMOHQWNEVMB-LLVKDONJSA-N	296.392	1.151	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@@]2(C)CCO[C@H]2C)c1O	775060700	MFDHIDVLFSOGRQ-XPTSAGLGSA-N	296.323	1.966	10	20	CDCD	
CCOCCOCCN(C)Cc1c(O)cccc1OC	787422632	HUGKWUBZZFJGQA-UHFFFAOYSA-N	283.368	1.886	10	20	CDCD	
COC[C@@H](NCc1ccc2c(c1)CCCO2)C(=O)OC	893952201	VJUHRYMCMQYNNM-CYBMUJFWSA-N	279.336	1.289	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)NOC/C=C/Cl	794291410	TZDKEEIUZRODNX-LWLQJDLGSA-N	269.684	1.911	10	20	CDCD	
COc1cc(C)cc(CN[C@H]2C[C@H](CO)C2)c1O	897355419	QTWRCTYLAIHOMK-UMSPYCQHSA-N	251.326	1.570	10	20	CDCD	
CC[C@H](C)N(C)CCNC(=O)c1cccc(O)c1O	187067613	PCNSHXFQKHPTLZ-JTQLQIEISA-N	266.341	1.558	10	20	CDCD	
COc1ccc(O)c([C@H](C)N[C@H]2C[C@@H](CO)C2)c1	707704887	WGGLFRIICYBWBK-GARJFASQSA-N	251.326	1.822	10	20	CDCD	
O=C1NCCCC[C@@H]1NCc1cc(F)cc(F)c1O	708497233	QDKFXWKLNQTNNU-NSHDSACASA-N	270.279	1.429	10	20	CDCD	
CC(=O)NCCC1=CCN(c2cc(F)ncn2)CC1	1089802569	RVEVBLZSUQVEFX-UHFFFAOYSA-N	264.304	1.278	10	20	CDCD	
CN1c2ccccc2C(=O)N[C@@H]1c1cc(O)ccc1O	1337561709	CPXSCJUUWGQKOZ-AWEZNQCLSA-N	270.288	1.976	10	20	CDCD	
CCCNC(=O)[C@H](C)NC(=O)c1cc(O)cs1	1339234241	PQVOJTHHXDPTOM-ZETCQYMHSA-N	256.327	1.098	10	20	CDCD	
Nc1ccc(OCc2cn(CC[C@H]3CCOC3)nn2)cc1	1330795529	SVEPREXUFHIMOU-LBPRGKRZSA-N	288.351	1.866	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N[C@H]2CCOC2=O)cc1F	1519215294	KRJNMPQAKSDREK-NSHDSACASA-N	295.314	1.006	10	20	CDCD	
C[C@](O)(CNCc1c(O)ccc(Cl)c1F)C(=O)O	1609972935	SNGRSHPJAFMCNB-NSHDSACASA-N	277.679	1.110	10	20	CDCD	
O=C(Nc1nnc(-c2ccncc2)s1)C1=S=NC=C1	1466280918	UHFWNOQIIFHYDY-UHFFFAOYSA-N	289.345	1.505	10	20	CDCD	
C[C@H]1OCC[C@@H]1NCc1ccc(N2CCOCC2)cc1	120432632	UDOKYSWNIAUGOY-CJNGLKHVSA-N	276.380	1.790	10	20	CDCD	
CCc1c(C(=O)NCc2ccc(N)cc2)cnn1CC	1578245004	YPGFKJUHOANJTP-UHFFFAOYSA-N	272.352	1.978	10	20	CDCD	
C[C@]1(C(=O)O)CCCN(C(=O)c2cc(O)cs2)C1	1593772901	LZLXCTNEOBEGAI-LBPRGKRZSA-N	269.322	1.781	10	20	CDCD	
CN1CCN(c2ccc(/C=C\C(=O)O)cc2[N+](=O)[O-])CC1	206833655	IBLZCGYSFNFKMP-HYXAFXHYSA-N	291.307	1.444	10	20	CDCD	
COC[C@H](CO)NCc1ccc(N2CCCC2)cc1	234801191	HRPMZVMVWVSBHL-AWEZNQCLSA-N	264.369	1.384	10	20	CDCD	
C[C@@H](NC1CCN(S(C)(=O)=O)CC1)c1ccccc1O	36828483	YSQCSJKZZZQDBC-LLVKDONJSA-N	298.408	1.467	10	20	CDCD	
Nc1ccc(CC(=O)N2CCO[C@H]3CCC[C@@H]32)cc1	43423259	MJHRYCQZJHGIJN-KBPBESRZSA-N	260.337	1.591	10	20	CDCD	
COCC[C@H](CO)N[C@@H](C)c1cc(OC)ccc1O	281567919	KGXRHSIAQCVCIR-WDEREUQCSA-N	269.341	1.449	10	20	CDCD	
CC[C@H]1NCC[C@H]1C(=O)N(C)Cc1ccccc1O	289744183	VZDKFFYQPKITTE-CHWSQXEVSA-N	262.353	1.739	10	20	CDCD	
C[C@H](NCCN1CCCC1=O)c1cc(F)ccc1O	405415313	OQOXCVWDTMZINK-JTQLQIEISA-N	266.316	1.804	10	20	CDCD	
CN(C)c1cc(C(=O)NCc2ccccc2O)ccn1	701178244	ZROYESHLKGUDHR-UHFFFAOYSA-N	271.320	1.783	10	20	CDCD	
Cn1cnnc1CNCc1ccc(Br)cc1O	691476449	JPVMVTSNHCTWPZ-UHFFFAOYSA-N	297.156	1.573	10	20	CDCD	
CO[C@@H]1CCOC[C@H]1N[C@H](C)c1ccccc1O	724897081	OMKKQLKZBBWSRG-MPKXVKKWSA-N	251.326	1.847	10	20	CDCD	
O=C(NCc1ccccc1O)[C@H]1C[C@H]2CC[C@H]1NC2	394659164	NAEBNOOJNOZDCR-KGYLQXTDSA-N	260.337	1.397	10	20	CDCD	
CCS(=O)(=O)CCNCc1cc(C)ccc1O	113334970	XSURNJSNVUGLEG-UHFFFAOYSA-N	257.355	1.225	10	20	CDCD	
C[C@H]1CSCCN1C(=O)c1ccccc1S(C)(=O)=O	172525006	XAAYJDKWPDCJPD-JTQLQIEISA-N	299.417	1.668	10	20	CDCD	
CC(=O)N[C@@H](C)C(=O)NCCCSc1nccs1	114374445	UOBVQMAIRYBRIR-QMMMGPOBSA-N	287.410	1.266	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc[n+]([O-])c1	28818711	YTGAGPCRHOUZJK-UHFFFAOYSA-N	285.347	1.658	10	20	CDCD	
C[C@H](CN1CCOCC1)NCc1ccccc1O	36932840	VFNAWOLCRQTDRF-GFCCVEGCSA-N	250.342	1.203	10	20	CDCD	
CN(CC(=O)NC1CC1)Cc1ccc(N(C)C)c(F)c1	120332055	HIPBZUXQFJHFQZ-UHFFFAOYSA-N	279.359	1.602	10	20	CDCD	
COC1(CNCc2ccccc2O)CCOCC1	123183329	DDQDEFLLLRQDNY-UHFFFAOYSA-N	251.326	1.677	10	20	CDCD	
COCCC[C@H](C)C(=O)NCCc1ccc(O)c(O)c1	182342736	POKAMYHSQIAMLA-NSHDSACASA-N	281.352	1.819	10	20	CDCD	
COc1ccc(O)c([C@H](C)NCC2([S@@](C)=O)CC2)c1	282462235	VSDJFGIHMIRNIG-APBUJDDRSA-N	283.393	1.963	10	20	CDCD	
Cc1ccc(C(=O)N2CCN(C)C(=O)C2(C)C)c(O)c1O	182589370	LIWGZWMSOATCPR-UHFFFAOYSA-N	292.335	1.099	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)[C@@H]1CN(C)CCO1	81958477	LJIMVWCPBBAJFL-HNNXBMFYSA-N	292.379	1.461	10	20	CDCD	
C[C@H]1[C@@H](C)N(Cc2cc(F)ccc2O)CCS1(=O)=O	180180115	OMURDONDGLQQEI-ZJUUUORDSA-N	287.356	1.539	10	20	CDCD	
C[C@@H](NCCCNS(C)(=O)=O)c1ccc(F)cc1O	184921042	WMOVALPFBYMLOL-SECBINFHSA-N	290.360	1.121	10	20	CDCD	
CC(C)OC(=O)[C@@H](C)CNC(=O)c1c(F)ccc(O)c1O	276586684	MNNXGRJUEOQFCM-QMMMGPOBSA-N	299.298	1.554	10	20	CDCD	
O=C(C[C@@H]1CCCC(=O)N1)NCc1ccccc1O	289719835	OIUOAZLVFPWYKF-NSHDSACASA-N	262.309	1.067	10	20	CDCD	
C[C@H](CO)N(CC1CCC1)C(=O)c1cccc(O)c1O	280640151	CHJBODYVDKMVCW-SNVBAGLBSA-N	279.336	1.721	10	20	CDCD	
C[C@H](N[C@@H]1COC[C@H]1O)c1cc(Cl)ccc1O	295815212	BIPSRAFOOAGPEZ-HNBZJPLGSA-N	257.717	1.456	10	20	CDCD	
C[C@H]1CCC[C@@]1(O)CNCc1cc([N+](=O)[O-])ccc1O	292857104	ALGZNEAQOGRENY-IINYFYTJSA-N	280.324	1.941	10	20	CDCD	
CCNCCCN[C@@H](C)c1cc(C(=O)OC)ccc1O	817943232	LODWRZNKLKOMBG-NSHDSACASA-N	280.368	1.829	10	20	CDCD	
C[C@@H](NC1CNC1)c1cc(Br)c(F)cc1O	817956297	VXBZVAUTDYOMPW-ZCFIWIBFSA-N	289.148	1.916	10	20	CDCD	
OC[C@@H](CCF)NCc1ccc(Br)cc1O	826143154	TZJPXQUTFDDHKF-SNVBAGLBSA-N	292.148	1.965	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@H]2NCC2(C)C)cc1F	827901404	NIZRQUPKVWIILN-CYBMUJFWSA-N	279.359	1.506	10	20	CDCD	
CCOC(=O)/C(=C\c1cnn(CC)n1)c1nccn1C	901463852	CXAJVHTVRCFIBK-FLIBITNWSA-N	275.312	1.135	10	20	CDCD	
CCO[C@@H]1C[C@H](NC(=O)Cc2ccc(N)cc2)[C@H]1OC	832152569	RNBLHVUOYVNKKE-GZBFAFLISA-N	278.352	1.120	10	20	CDCD	
Cc1ocnc1C(=O)NC[C@H](N)c1ccc(N(C)C)cc1	832278463	CMDLYRFUEMUVGV-ZDUSSCGKSA-N	288.351	1.479	10	20	CDCD	
CS[C@H](C)C(=O)NC[C@H](N)c1ccc(N(C)C)cc1	832299668	FVCCBEPLBHONDP-MFKMUULPSA-N	281.425	1.620	10	20	CDCD	
CCOc1ccc(CNC2(CO)CCOCC2)c(O)c1	734844934	FHCPWNREAGDKOL-UHFFFAOYSA-N	281.352	1.422	10	20	CDCD	
CN(C)CC1CCN(C(=O)c2cc(O)cs2)CC1	748323371	JEMWOBFKTNIRDM-UHFFFAOYSA-N	268.382	1.868	10	20	CDCD	
C[C@@]1(C(=O)NCc2ccc(O)cc2O)C[C@H]2CC[C@H]1O2	910947297	CENHGXWZMSRFTL-UXIGCNINSA-N	277.320	1.672	10	20	CDCD	
C[C@@H](N)[C@H]1CCN(Cc2cc3c(cc2O)OCO3)C1	843057013	FERAKTLXGSZXRH-ZJUUUORDSA-N	264.325	1.290	10	20	CDCD	
CCN(C)c1ccc(CN2CCO[C@@H](CC(=O)O)C2)cc1	846272573	JDKMZPYLZRBWEW-HNNXBMFYSA-N	292.379	1.818	10	20	CDCD	
CCc1cccc(CN2CCC[C@@H](O)[C@@H]2C(=O)OC)c1O	848905366	JOVHZIDMOXNELV-ZIAGYGMSSA-N	293.363	1.453	10	20	CDCD	
CCNCCNC(=O)NCc1ccc(N(C)C)cc1	841652880	GUNBLKVLSCUDFK-UHFFFAOYSA-N	264.373	1.161	10	20	CDCD	
CCOc1ccc(CN2CCN[C@@H](C)[C@@H]2C)c(O)c1	843057008	FBWDFFKWYPWUIZ-RYUDHWBXSA-N	264.369	1.973	10	20	CDCD	
C[C@H](NC(=O)N1CCNCC1)c1ccc(N(C)C)cc1	841883218	SEYJOJFQGVQCOP-LBPRGKRZSA-N	276.384	1.428	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CCN(C)[C@@H]2C)c1	843831914	SMSWSGOLVRMOQQ-NQBHXWOUSA-N	292.379	1.918	10	20	CDCD	
CN(Cc1cc2c(cc1O)OCO2)C1(CN)CCC1	843125069	MTTXXVRXMWBYML-UHFFFAOYSA-N	264.325	1.434	10	20	CDCD	
CCN(C)C(=O)COC(=O)/C=C\c1ccc(O)c(O)c1	759596750	PQLNFGAYSDEAIS-ALCCZGGFSA-N	279.292	1.133	10	20	CDCD	
O=C(NCCCSc1nccs1)c1cc(O)ncn1	859352094	MITHPNBWKGWYHA-UHFFFAOYSA-N	296.377	1.551	10	20	CDCD	
C[C@@H](C[S@@](C)=O)NC(=O)N[C@H](C)c1ccccc1O	868494137	LQIXIWQDPPVYNR-QHJCOXKOSA-N	284.381	1.519	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NCc1cccnn1	768595131	CUQXCSIDKHKOBZ-GQCTYLIASA-N	271.276	1.217	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@H]2C[C@]23CCOC3)cc1	763381594	FBRIMQQBMFESHV-ZBFHGGJFSA-N	274.364	1.795	10	20	CDCD	
CCOc1cccc(CN(C)[C@@H]2CCS(=O)(=O)C2)c1O	132412483	PCZVGPPIJGEGIT-GFCCVEGCSA-N	299.392	1.410	10	20	CDCD	
Cc1cc(=O)n(C)cc1NC(=O)NCc1ccccc1O	760051447	ZVQYHGJDQDCYMD-UHFFFAOYSA-N	287.319	1.721	10	20	CDCD	
CC[C@H](CNS(C)(=O)=O)NCc1ccc(C)cc1O	877561268	DIWZMZNHBRCFNF-GFCCVEGCSA-N	286.397	1.118	10	20	CDCD	
C[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1nc[nH]n1	779526185	QCPDXLIYUTUMHJ-NHLYECAPSA-N	274.280	1.107	10	20	CDCD	
C/C=C\[C@@H]1CNC[C@H]1C(=O)NCc1ccc(OC)cc1O	876911134	VYJCYIQQKSKLCS-LAPROLRISA-N	290.363	1.429	10	20	CDCD	
CCN(C)c1ccc(CN2CCO[C@H](C(=O)NC)C2)cc1	773835211	WMTIMLIDVSCMTB-HNNXBMFYSA-N	291.395	1.090	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)NCc1cc[nH]n1	779498939	RRQPDZLRAKMPAC-RQOWECAXSA-N	259.265	1.151	10	20	CDCD	
Cn1ncc2c(O)nc(Sc3nccs3)nc21	771127955	WMLQEBOYYNNKQC-UHFFFAOYSA-N	265.323	1.677	10	20	CDCD	
COc1cc(C)cc([C@H]2NC(=O)CN2CC(C)C)c1O	887326497	DOYLJCPRDUIDEU-HNNXBMFYSA-N	278.352	1.796	10	20	CDCD	
O=C(NCc1cccc(O)c1O)C1(c2cccnc2)CC1	1123887280	AFZXUKYQHZOVLK-UHFFFAOYSA-N	284.315	1.841	10	20	CDCD	
CCN(C)c1ccc(CN(C)[C@@H]2COC[C@H]2O)cc1	886516791	YIJCKEYBEWTMBG-HUUCEWRRSA-N	264.369	1.334	10	20	CDCD	
COc1ccc(O)c(CNC(=O)CSCC(C)=O)c1	787450348	QWFRTZULQXYAFM-UHFFFAOYSA-N	283.349	1.339	10	20	CDCD	
CCNC(=O)CC(=O)NCc1ccc(N(CC)CC)cc1	780894605	QFBKFXYOKOMJML-UHFFFAOYSA-N	291.395	1.675	10	20	CDCD	
COC[C@@H](NC(=O)NCc1ccc(OC)cc1O)C(C)C	792955244	DJPHYJBWVNKCQA-CYBMUJFWSA-N	296.367	1.871	10	20	CDCD	
C[C@H]1COCCN1CCNCc1c(O)cccc1Cl	1318457387	SHXKKAZKRZFDDN-NSHDSACASA-N	284.787	1.856	10	20	CDCD	
CN1CCN(c2ccc(CN[C@@H]3CCNC3)cc2F)CC1	1261835295	QAHLQILBFFAFBM-CQSZACIVSA-N	292.402	1.029	10	20	CDCD	
COC[C@@H](NCc1cc(Cl)c(C)cc1O)C(=O)O	1606815132	PXOSSWRZFDZVFL-SNVBAGLBSA-N	273.716	1.543	10	20	CDCD	
O=C(O)c1nc(=NCc2ccc3cccnc3c2O)cc[nH]1	1602576337	ZCSQMVMZKLOPOM-UHFFFAOYSA-N	296.286	1.463	10	20	CDCD	
Nc1ccc(CC(=O)N[C@H]2C[C@H]3C[C@@H](C(=O)O)C[C@@H]23)cc1	1601216361	XYOWQJNHSXHOMS-OXHZDVMGSA-N	288.347	1.427	10	20	CDCD	
CCOc1ccc(O)c(CN[C@@](C)(COC)CC(=O)O)c1	1610042521	ITVUITRHTFMWRS-OAHLLOKOSA-N	297.351	1.760	10	20	CDCD	
C[C@@H]1C[C@@H]1[C@H](NCc1cc(F)cc(F)c1O)C(=O)O	1776602727	VEBHAGKTUUBUJN-PUMQYWBSSA-N	271.263	1.869	10	20	CDCD	
CC(=O)NCCc1nc(-c2ccc(O)c(O)c2)cs1	157243021	MHTUBPFMNFZXJD-UHFFFAOYSA-N	278.333	1.900	10	20	CDCD	
CN1CCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1	154406794	XNTRZDVHUMNBTF-UHFFFAOYSA-N	293.386	1.410	10	20	CDCD	
CN(C)c1ncccc1C(=O)NCc1ccc(O)c(O)c1	159018483	KDPSJXROHCQILX-UHFFFAOYSA-N	287.319	1.489	10	20	CDCD	
O=C(NCCOC1CCCC1)c1cccc(O)c1O	126421453	MAIQVKWVTLXGRG-UHFFFAOYSA-N	265.309	1.787	10	20	CDCD	
Cc1cccc(O)c1CN(C)CC(C)(C)S(C)(=O)=O	876779353	BRLFDLSGFGPWLZ-UHFFFAOYSA-N	285.409	1.956	10	20	CDCD	
Cc1ccc(CN[C@H](C)CC[S@@](C)=O)c(O)c1	877090656	WXBLEQULVJAUOU-PIGZYNQJSA-N	255.383	1.947	10	20	CDCD	
Cc1ccc([C@@H](C)N[C@H]2CCN(S(C)(=O)=O)C2)c(O)c1	400150630	BJAPDAABRWUPOD-NEPJUHHUSA-N	298.408	1.385	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NCc2cnn(C)c2)cc1	53753812	WXMOZHMEZLQANE-UHFFFAOYSA-N	287.367	1.486	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](C)NC(C)=O)c1	104124962	WINPVQUBUZPHOF-RKDXNWHRSA-N	280.324	1.103	10	20	CDCD	
O=C(CSc1nccs1)NCC(F)(F)F	60741392	ICVHENKTZOZJKD-UHFFFAOYSA-N	256.274	1.914	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)Cc1ccn[nH]1	173453799	HFTWGXIZXLHUMV-UHFFFAOYSA-N	286.335	1.444	10	20	CDCD	
Cc1ccc(C(=O)N[C@H](C)c2cn(C)nc2C)c(O)c1O	182318562	AXTXYDXGRIIPNP-SECBINFHSA-N	289.335	1.939	10	20	CDCD	
Oc1cccc(Cl)c1CN1C[C@H]2CNC[C@@H]2C1	128343916	OQTFDKYTENSPBV-NXEZZACHSA-N	252.745	1.697	10	20	CDCD	
C[C@@]1(NCc2ccc(N3CCOCC3)c(F)c2)CCOC1	120182960	LKQRORAVPMBWQE-MRXNPFEDSA-N	294.370	1.931	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)[C@H]2C[C@H](F)CN2)cc1	188729260	FXEYXJHKFIVJCD-DZGCQCFKSA-N	293.386	1.849	10	20	CDCD	
CC[C@@H](C)N(CC(=O)O)C(=O)c1cccc(O)c1O	126003371	QKBBEZYXMSAMEP-MRVPVSSYSA-N	267.281	1.423	10	20	CDCD	
COc1cccc(CN[C@@H]2C[C@@H](O)C2(C)C)c1O	128095705	YTJODJUYRQFZQA-VXGBXAGGSA-N	251.326	1.650	10	20	CDCD	
COc1cccc(CN2CCN(C(=O)N(C)C)CC2)c1O	133617422	GOXQJFPKKWGIHZ-UHFFFAOYSA-N	293.367	1.200	10	20	CDCD	
COc1ccc(O)c(CN2CC[C@](C)(C(=O)O)C2)c1	86779974	WJHGDGMYSADRJD-AWEZNQCLSA-N	265.309	1.697	10	20	CDCD	
CCN(CCCO)Cc1cc(F)cc(C(C)=O)c1O	135835486	AYBRKJIUAJISPA-UHFFFAOYSA-N	269.316	1.938	10	20	CDCD	
COc1cccc(CNC(=O)c2c(C)ccn2C)c1O	190198970	MNWPCYMXCBHVJP-UHFFFAOYSA-N	274.320	1.978	10	20	CDCD	
CC(C)CN1CCC(NC(=O)c2cccc(O)c2O)CC1	192962923	LDYQDEFTPUUSOG-UHFFFAOYSA-N	292.379	1.948	10	20	CDCD	
COCCN(Cc1cc(C)c(C)cc1O)[C@H](C)C(N)=O	93137977	JFQJDKXEEHFEMZ-GFCCVEGCSA-N	280.368	1.331	10	20	CDCD	
Cc1cc(CC(=O)N(C)Cc2ccccc2O)no1	265409885	LZLZYSPDHDUDGD-UHFFFAOYSA-N	260.293	1.890	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N2CCO[C@H]3C[C@@H]32)cc1F	368181802	WCYBSYKBDDUHPJ-KBPBESRZSA-N	293.342	1.574	10	20	CDCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(C)=O	272292788	VOXYGLYWBFYLFQ-UHFFFAOYSA-N	271.700	1.567	10	20	CDCD	
Cc1ccc(C(=O)N2CC[C@@H](C)[S@](=O)CC2)c(O)c1O	277458626	GIHURRNAGABGGL-CFMSYZGJSA-N	297.376	1.389	10	20	CDCD	
CN(C)c1ccc(OCc2nc(N)nc(N(C)C)n2)cc1	289322213	CLPLFGJEDQGPNA-UHFFFAOYSA-N	288.355	1.165	10	20	CDCD	
Cc1noc(CCCNC(=O)c2cccc(O)c2O)n1	280411192	HFZOCGWYZUJJSA-UHFFFAOYSA-N	277.280	1.152	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)c1cc(C2CC2)no1	281615281	BOOKQXDXGWMNSP-UHFFFAOYSA-N	274.276	1.893	10	20	CDCD	
COc1cc(C(=O)OCC(=O)C(C)=O)ccc1OC(C)C	808483244	ICHQFWRCTWGDMC-UHFFFAOYSA-N	294.303	1.797	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2cnn3c2CCC3)cc1	294215651	AUCIVARRNBXOOJ-UHFFFAOYSA-N	284.363	1.825	10	20	CDCD	
CC1CCN(c2ccc(CNCCC(N)=O)cc2)CC1	819038828	IYRDDCXJDDVYNA-UHFFFAOYSA-N	275.396	1.888	10	20	CDCD	
NC(=O)CN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S	727176894	RTWIALIJPSUCRL-WEVVVXLNSA-N	296.348	1.512	10	20	CDCD	
CN(C)c1ccc(CNC[C@@H]2CCCN2CCCO)cc1	824559014	COUCHPVNZITKRV-KRWDZBQOSA-N	291.439	1.689	10	20	CDCD	
CNC(=O)C1(C(=O)N[C@H](C)c2ccccc2O)CC1	827930872	SMVMSRKHPSXYJV-SECBINFHSA-N	262.309	1.096	10	20	CDCD	
CC1(C)CN[C@@H]1C(=O)NCc1ccc(N2CCCC2)cc1	827005569	VTHCKXCJJIAFLL-OAHLLOKOSA-N	287.407	1.901	10	20	CDCD	
CN(C)c1ccc(CN2CCOC[C@H]2CC(=O)O)cc1F	902002477	QLAQPTNQPYLHQM-GFCCVEGCSA-N	296.342	1.567	10	20	CDCD	
C[C@H]1CN(Cc2ccc(N(C)C)c(F)c2)CC(=O)N1	824909163	KBPWNCPBHQSKAK-JTQLQIEISA-N	265.332	1.212	10	20	CDCD	
CN1C(=O)CC[C@@H]1c1nc(Cc2ccc(N)cc2)no1	904504586	POLOPYFVLMAGIC-LLVKDONJSA-N	272.308	1.536	10	20	CDCD	
COc1cc(O)c(CN[C@H](C(=O)O)C(C)(C)C)cc1OC	833729043	OZPKZCHQXUJKIA-CYBMUJFWSA-N	297.351	1.998	10	20	CDCD	
Cc1cccc(NCCNC(=O)c2cc(O)cs2)n1	743463665	NEBKAMRULAXFTM-UHFFFAOYSA-N	277.349	1.999	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2c[nH]c(C(N)=O)c2)cc1	916731566	UZFZPEOVIQULFC-UHFFFAOYSA-N	286.335	1.110	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1C[C@H](C)O[C@@H](CO)C1	840941436	AKGNHMUXBPBKLQ-XJKSGUPXSA-N	278.396	1.643	10	20	CDCD	
C[C@H](NC[C@@]1(O)CCN(C)C1)c1ccc(Cl)cc1O	841752216	NBITWEQFAKIDFJ-HZMBPMFUSA-N	284.787	1.763	10	20	CDCD	
CN(CCN(C)C1CC1)C(=O)NCCc1ccc(N)cc1	841959936	SNINSLNHYJLGGU-UHFFFAOYSA-N	290.411	1.547	10	20	CDCD	
Cc1cc(O)c(CN[C@H]2CCCN(C)C2=O)cc1C	748242544	PBTRYYWIRTTZIK-ZDUSSCGKSA-N	262.353	1.719	10	20	CDCD	
C[C@@H](C(=O)NCc1cc(Cl)ccc1O)S(C)(=O)=O	846473156	PUZUWSYQWGJNIP-ZETCQYMHSA-N	291.756	1.095	10	20	CDCD	
CN(C)c1ccc(CN2CC[C@@H](CN)C2)cc1F	843048543	GJPUPBUNUWOWPG-LBPRGKRZSA-N	251.349	1.672	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@H](CN)CC(C)C)c1O	841037607	BCPIWOJEGNIRFC-NSHDSACASA-N	297.355	1.772	10	20	CDCD	
CNCCNCc1cc(Br)cc(C)c1O	841037319	YIJQEDQMJFYMGQ-UHFFFAOYSA-N	273.174	1.772	10	20	CDCD	
CCOC[C@H]1CN(Cc2ccc(N(C)C)cc2)CCO1	859770997	FSMILQGGVLPFAY-MRXNPFEDSA-N	278.396	1.990	10	20	CDCD	
CC1=NO[C@@H](C(=O)NCc2cc(Cl)ccc2O)C1	855022806	JTTHBPPVSRNVKT-LLVKDONJSA-N	268.700	1.827	10	20	CDCD	
CN(CCNC(=O)N(C)C)Cc1cc(F)ccc1O	757865584	NECBKSBZRJTAPG-UHFFFAOYSA-N	269.320	1.234	10	20	CDCD	
C[C@@H](NC(=O)N[C@@H]1C(=O)NCC[C@H]1C)c1ccccc1O	868578915	LXSUXPPOFWIJCD-BREBYQMCSA-N	291.351	1.277	10	20	CDCD	
COC/C=C\C(=O)NCc1ccc(N(C)C)cc1C	865904895	SZABYPWSBDHHKU-WAYWQWQTSA-N	262.353	1.880	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNCCN1CC[C@@H](O)C1	862532205	SKOMUARLIDMPEO-MRXNPFEDSA-N	277.412	1.217	10	20	CDCD	
Cc1cc(N(C)C(=O)/C=C/c2cnn(C)c2)ccn1	766605548	LNWMLEBXGYNCRK-SNAWJCMRSA-N	256.309	1.800	10	20	CDCD	
COc1ccc(O)c(CNC(=O)CCCCO)c1	866767149	KRRKSHHYCZCHHZ-UHFFFAOYSA-N	253.298	1.180	10	20	CDCD	
COc1ccc(CNC(=O)c2cc(CO)c(C)o2)c(O)c1	867956422	QYSIGSCIPMTBFS-UHFFFAOYSA-N	291.303	1.725	10	20	CDCD	
COc1ccc(CN[C@H](C)CCO)cc1Cn1cccn1	873057470	SCLXSGULRRFDFX-CYBMUJFWSA-N	289.379	1.801	10	20	CDCD	
CCN(C)c1ccc(CN(C[C@H](C)O)[C@@H](C)CO)cc1	773887974	KLFZFXBEWTVIRM-KBPBESRZSA-N	280.412	1.706	10	20	CDCD	
CC(C)(C)OC(=O)COC(=O)c1cccc(O)c1O	776278692	DSHMVQCCZRQPDT-UHFFFAOYSA-N	268.265	1.596	10	20	CDCD	
CC[C@H](CO)C(=O)NCc1ccc2c(c1)CCCN2C	779618583	KGIZSKXUMPNBBM-CYBMUJFWSA-N	276.380	1.704	10	20	CDCD	
COC(OC)C(=O)NCc1ccc2c(c1)CCCN2C	874251633	NVJUYJJXZJNEQY-UHFFFAOYSA-N	278.352	1.304	10	20	CDCD	
COCCOCCC(=O)N[C@@H](C)c1ccc(N(C)C)cc1	773012433	BTCCQLCTYDQQOT-ZDUSSCGKSA-N	294.395	1.983	10	20	CDCD	
COC(=O)C(C)(C)NC(=O)c1ccc(C)c(O)c1O	780883120	QJCOZIACRAMWAW-UHFFFAOYSA-N	267.281	1.088	10	20	CDCD	
Nc1ccc(CNC(=O)N[C@@H]2CCc3c[nH]nc3C2)cc1	1120524266	JWMQQVHDVNWTQQ-CYBMUJFWSA-N	285.351	1.349	10	20	CDCD	
Cn1nnc(CNCc2cc(-c3ccccc3)ccc2O)n1	785617589	OIRAEPIIAPQHCG-UHFFFAOYSA-N	295.346	1.873	10	20	CDCD	
C[C@@H]1CCN(C(=O)NCc2ccc(N)cc2)C[C@H]1CO	1120584563	NBVWXUXGFIBLHL-YPMHNXCESA-N	277.368	1.429	10	20	CDCD	
COCCOCCNCc1cc(C)cc(OC)c1O	894202462	HTVVGQSEXYMUAK-UHFFFAOYSA-N	269.341	1.462	10	20	CDCD	
COc1cc(Cl)cc(CNC[C@H]2COCO2)c1O	894879031	OWJHYWWQEDPCEB-JTQLQIEISA-N	273.716	1.517	10	20	CDCD	
C[C@H](NCc1ccc(N(C)C)cc1)c1ncn(C)n1	275383925	ABKKUGAJPOKHIE-NSHDSACASA-N	259.357	1.732	10	20	CDCD	
COC(=O)[C@@H](CC(F)F)NC(=O)c1cccc(O)c1O	790912094	ZLKQNDUTALRMBM-SSDOTTSWSA-N	289.234	1.024	10	20	CDCD	
CO[C@@H]1C[C@H](NC(=O)c2cccc(O)c2O)C12CCC2	713144740	KZQHHHVZBRBCAH-NWDGAFQWSA-N	277.320	1.785	10	20	CDCD	
O=C(Nc1c(Cl)ccc2nonc12)C1=COCCO1	1339437315	GFHBTLJXGLHJSJ-UHFFFAOYSA-N	281.655	1.703	10	20	CDCD	
C[C@H]1OCC[C@H]1C(=O)NCc1cccc(O)c1O	1352657262	BKECMSOSPQRRMN-PSASIEDQSA-N	251.282	1.139	10	20	CDCD	
Nc1ccc(CNC(=O)NCCCNC2CC2)cc1	1357436660	WCOCAXNZLILJFB-UHFFFAOYSA-N	262.357	1.210	10	20	CDCD	
COc1ccc(CN2CCC(C(=O)O)CC2)c(O)c1OC	1607252955	HALGBRSLMGAUHJ-UHFFFAOYSA-N	295.335	1.706	10	20	CDCD	
COC[C@H](C)N[C@@H](C)c1cccc(-c2nn[nH]n2)c1O	1605129766	VHWRUXDEOORLQI-IUCAKERBSA-N	277.328	1.258	10	20	CDCD	
CNS(=O)(=O)[C@@H]1CCN(Cc2cc(C)cc(C)c2O)C1	164542570	JIKVSLLZGLIKJL-CYBMUJFWSA-N	298.408	1.133	10	20	CDCD	
O=C(NCCCn1ccnc1)c1cccc(O)c1O	126242977	COFAGDWSQHXZSJ-UHFFFAOYSA-N	261.281	1.114	10	20	CDCD	
COc1cccc(O)c1CN1CC[C@H](N)[C@@H](C)C1	843051936	MYFNSAYZHWWWLZ-JQWIXIFHSA-N	250.342	1.570	10	20	CDCD	
Cc1cc(NS(=O)(=O)c2c(C)n[nH]c2C)ccc1O	148618757	VBUZLEHGIINTRA-UHFFFAOYSA-N	281.337	1.841	10	20	CDCD	
COCCOCCNCc1cc(F)cc(F)c1O	708454262	OIBNXWITGGBTPG-UHFFFAOYSA-N	261.268	1.423	10	20	CDCD	
COc1cc(Cl)cc(CN(C)[C@@H](C)CN)c1O	382999498	PHCYEHFGQZHSIT-QMMMGPOBSA-N	258.749	1.833	10	20	CDCD	
COCCC(=O)N[C@@H](C)c1cc(OC)ccc1O	103528563	FYACPEDTQMTHAP-VIFPVBQESA-N	253.298	1.615	10	20	CDCD	
CN1CC[C@@H](N2CCOc3cc(N(C)C)ccc32)C1=O	120331292	UHPSEGILPKGKFR-CYBMUJFWSA-N	275.352	1.182	10	20	CDCD	
CC(C)NC(=O)CNC(=O)NCc1ccc(N(C)C)cc1	31727300	ZYENFAPOMIGDED-UHFFFAOYSA-N	292.383	1.076	10	20	CDCD	
O=C(N[C@H]1CCN(c2ccccn2)C1)c1cccc(O)c1O	185886095	ICPQKWABXIRCNL-NSHDSACASA-N	299.330	1.502	10	20	CDCD	
COC(=O)[C@@H](C)OC(=O)/C=C\c1ccc(O)c(O)c1	210081525	JPYSNLQAUPVIKT-RZAAKKIOSA-N	266.249	1.216	10	20	CDCD	
Cc1ccc(O)c(CN2CCO[C@@H]([C@@H](C)N)C2)c1	132605770	DHMACDULHZNZAU-BXUZGUMPSA-N	250.342	1.249	10	20	CDCD	
COCc1cc(C(=O)NCc2ccc(N(C)C)cc2)no1	79319086	YGPHENULWKNXSD-UHFFFAOYSA-N	289.335	1.817	10	20	CDCD	
C[C@H]1CS(=O)(=O)C[C@H]1NCc1cccc(F)c1O	290102900	HTZDKBQSRCATTA-GZMMTYOYSA-N	273.329	1.054	10	20	CDCD	
CN(CCC(N)=O)Cc1cccc(Br)c1O	382232244	YTGLEUJNPLAADV-UHFFFAOYSA-N	287.157	1.462	10	20	CDCD	
Cc1cccc(CN(C)CCN2CCOCC2)c1O	180023360	ZNOQIKIQOZLLJA-UHFFFAOYSA-N	264.369	1.465	10	20	CDCD	
COC(=O)[C@H]1CN(Cc2ccc(N(C)C)cc2)CCO1	93081410	ACXGCFBIYMNVRG-CQSZACIVSA-N	278.352	1.126	10	20	CDCD	
COc1ccc(CNCC[C@@H]2CCOC2)c(O)c1	230163419	CDGHIYUFGGEAQN-LLVKDONJSA-N	251.326	1.917	10	20	CDCD	
C[C@H](NC(=O)C(C)(C)C)C(=O)NCc1ccc(N)cc1	297140978	ICWADOSGUCRBHD-JTQLQIEISA-N	277.368	1.436	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC[C@@H](O)C2CCOCC2)c1	273345866	ASRWQOFVKKZRRN-BDJLRTHQSA-N	295.379	1.839	10	20	CDCD	
COC(=O)N[C@@H](C)C(=O)N(C)Cc1ccccc1O	270496878	CNOCNMRYRBZMPU-VIFPVBQESA-N	266.297	1.095	10	20	CDCD	
COC(=O)[C@@]1(C)CCN(C(=O)c2ccc(C)c(O)c2O)C1	271236478	CKGJQKSOFGPJDI-HNNXBMFYSA-N	293.319	1.431	10	20	CDCD	
CCN1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2O)CC1	278281709	TUZWVZWWXOIMSK-UHFFFAOYSA-N	295.339	1.447	10	20	CDCD	
Cc1cc(O)c(CN[C@@H](C)c2ncn(C)n2)cc1C	275870707	VKAWALLMNATSDC-NSHDSACASA-N	260.341	1.988	10	20	CDCD	
OC[C@H](CNCc1ccc2c(c1)CCO2)[C@@H]1CCOC1	280216190	GAWWQDKCPOSIQQ-CABCVRRESA-N	277.364	1.356	10	20	CDCD	
COC(=O)c1cnc(SCCc2cncn2C)s1	298256262	NRMQSHJPFHOVBL-UHFFFAOYSA-N	283.378	1.998	10	20	CDCD	
CC(=O)N[C@@H]1CCN(Cc2cc(Cl)cc(F)c2O)C1	817413983	BENOFWJMFPFBIW-LLVKDONJSA-N	286.734	1.895	10	20	CDCD	
COc1ccc(N2CCCN(C(=O)C[C@@H](C)N)CC2)cc1	827458462	DCWUKEHKLYWZPP-CYBMUJFWSA-N	291.395	1.471	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@H](O)C2CC2)cc1F	824668970	AOEQGXKZTNRQPZ-CYBMUJFWSA-N	266.316	1.279	10	20	CDCD	
CCOc1ccc(O)c(CN[C@H]2CC(=O)N(CC)C2)c1	824886870	MMBYQHIOUKZDAV-LBPRGKRZSA-N	278.352	1.501	10	20	CDCD	
C[C@@H](NC(=O)C1(C(=O)NC2CC2)CC1)c1ccccc1O	827931096	XUFMLDLSUJMDLQ-SNVBAGLBSA-N	288.347	1.628	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2CC[C@H](F)C2)c1O	824572528	ZBBNVYFWBGHRLG-VIFPVBQESA-N	270.260	1.853	10	20	CDCD	
CN(C)c1ccc(CN2CCO[C@H](CC(=O)O)C2)cc1F	901502607	NUTNXZDZHLOLGK-GFCCVEGCSA-N	296.342	1.567	10	20	CDCD	
Cc1cc(CN2CC[C@H](O)[C@H](CO)C2)ccc1N(C)C	839665048	GLJSIWJQFKWVFX-HOCLYGCPSA-N	278.396	1.236	10	20	CDCD	
CNC(=O)CN(Cc1ccccc1O)C1CCCC1	733613633	FCQNYKDJKVLUHT-UHFFFAOYSA-N	262.353	1.883	10	20	CDCD	
CCc1nnc(C(=O)NCc2cc(OC)ccc2O)s1	901130457	IMTUHDXOYFKYFM-UHFFFAOYSA-N	293.348	1.745	10	20	CDCD	
CCCNC(=O)[C@@H]1CCCN(C(=O)c2cc(O)cs2)C1	731872318	DOMSPKXJBGFQIU-SNVBAGLBSA-N	296.392	1.832	10	20	CDCD	
COc1ccc(O)c(CNC(=O)CCCNC(=O)O)c1	738043590	CRRGSQCKLRGDRJ-UHFFFAOYSA-N	282.296	1.065	10	20	CDCD	
CCOC(=O)[C@H](CC)C(=O)NCc1ccc(N(C)C)cc1	839471231	VLOFAXUDFVFHFV-CQSZACIVSA-N	292.379	1.958	10	20	CDCD	
CCO[C@@H](C)C(=O)NC[C@H](N)c1ccc(N(C)C)cc1	832300115	MHKUMRSDOCSVQZ-FZMZJTMJSA-N	279.384	1.294	10	20	CDCD	
COC(=O)[C@@]1(C)CCCN(C(=O)c2cccc(O)c2O)C1	839919532	YICGLVPCWZJJMY-HNNXBMFYSA-N	293.319	1.513	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)NC[C@@H](C)N	841989709	WLIZJTWNLMERIN-LLVKDONJSA-N	265.357	1.661	10	20	CDCD	
COC(=O)C[C@H](NC(=O)Nc1ccc(N)cc1)C1CC1	841299559	ITBUMSJWCLQIGO-LBPRGKRZSA-N	277.324	1.732	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN(C)[C@H](C)CCO)c1O	846109675	GOGDIHORVLOBIR-SECBINFHSA-N	284.312	1.512	10	20	CDCD	
COC[C@H]1C[C@@H](O)CN1Cc1cc(Cl)cc(F)c1O	846052553	GBAAXKAVCQALET-GHMZBOCLSA-N	289.734	1.766	10	20	CDCD	
Nc1ccc(-n2cc(CN3CCCCC3)nn2)cc1	849134792	PMAHVZMPLVEUNP-UHFFFAOYSA-N	257.341	1.835	10	20	CDCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NC[C@H](C)O	840478766	BWOPHADHXHMGOB-STQMWFEESA-N	293.411	1.672	10	20	CDCD	
CC(C)(O)C(C)(C)CNC(=O)NCCc1ccc(N)cc1	841914077	YQDOFASLAWFAPE-UHFFFAOYSA-N	293.411	1.908	10	20	CDCD	
Cc1ccc(C(=O)N2CCC[C@H](F)C2)c(O)c1O	846630285	KGMNDCXCZLHCGJ-VIFPVBQESA-N	253.273	1.980	10	20	CDCD	
COCC[C@@H](C)CNC(=O)NCc1cccc(OC)c1O	840399827	SCTDJUPKQVLDPL-LLVKDONJSA-N	296.367	1.873	10	20	CDCD	
COC(=O)N(C)CCN[C@@H](C)c1cccc(OC)c1O	850548114	XWGZKJOFEVSGHI-JTQLQIEISA-N	282.340	1.750	10	20	CDCD	
CCN(C)c1ccc(CN2CCC(=O)N(C)CC2)cc1	852577692	KFDAWUFBMIQFHX-UHFFFAOYSA-N	275.396	1.807	10	20	CDCD	
CO[C@H](C)CNC(=O)N(C)Cc1ccc(N(C)C)cc1	852537307	VHGFAGIFNSGEHI-GFCCVEGCSA-N	279.384	1.929	10	20	CDCD	
NC(=O)c1ccc(NCCc2ccc(O)c(O)c2)nc1	1347397998	JJDMMWMYSMQWMS-UHFFFAOYSA-N	273.292	1.246	10	20	CDCD	
CON(C)CCNC(=O)N[C@H](C)c1ccc(N(C)C)cc1	854004696	UNGOMPHHOUPIGM-GFCCVEGCSA-N	294.399	1.606	10	20	CDCD	
O=C(NCCCSc1nccs1)N[C@H]1C[C@H](O)C1	853858798	PJJIDVCZHVEXPI-KYZUINATSA-N	287.410	1.448	10	20	CDCD	
CCc1cccc(CN(C)[C@]2(CO)CCOC2)c1O	862428962	YBGOMDWGBOXBLA-HNNXBMFYSA-N	265.353	1.538	10	20	CDCD	
CC[C@@H](C(=O)NCc1cc(C)ccc1O)N(C)C	862758426	YSJMIJQJOSOYHX-LBPRGKRZSA-N	250.342	1.657	10	20	CDCD	
Cc1cccc(O)c1CN1CCC(CO)(CO)CC1	877798103	HINOGCPTPXVOIX-UHFFFAOYSA-N	265.353	1.267	10	20	CDCD	
CCCNC(=O)CCC(=O)N(C)c1ccc(N)cc1	877078566	UZRITQOSZLNIKA-UHFFFAOYSA-N	263.341	1.538	10	20	CDCD	
Cc1ccc(CN2CCS(=O)(=O)C[C@H](C)C2)c(O)c1	877477514	CURUXLSIBLBJCN-GFCCVEGCSA-N	283.393	1.567	10	20	CDCD	
CO[C@@H]1COCC[C@@H]1CNCc1c(C)cccc1O	877563332	JNUSBHMXKXWREA-IUODEOHRSA-N	265.353	1.842	10	20	CDCD	
Cc1cccc(O)c1CN1CCN(C[C@@H]2CCOC2)CC1	876784420	FDBLMDIIDMDNCO-HNNXBMFYSA-N	290.407	1.855	10	20	CDCD	
Cc1cccc(O)c1CNCC1(CS(C)(=O)=O)CC1	877081632	DYAICGUGOXFIIX-UHFFFAOYSA-N	283.393	1.615	10	20	CDCD	
Cc1cc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)ncn1	773740698	OCWFDRFLHMQYGQ-JTQLQIEISA-N	287.319	1.557	10	20	CDCD	
C[C@@H](NC(=O)c1cc(O)cs1)c1ncnn1C	789918207	JXVYJXSTPDTVJQ-ZCFIWIBFSA-N	252.299	1.073	10	20	CDCD	
C[C@H](NCc1cc(F)cc(F)c1O)C(=O)NCCF	883112527	OYTOTLFXZJSUSE-ZETCQYMHSA-N	276.258	1.234	10	20	CDCD	
COc1ccc(CNCC(C)(C)CCO)c(O)c1OC	893069327	RBMPFIQJJMKASV-UHFFFAOYSA-N	283.368	1.908	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)c(O)c1O	780950961	PIOSHTHSUHKIJW-WDEREUQCSA-N	278.352	1.619	10	20	CDCD	
CCOC[C@H](O)CN(C)c1ccc(OCC(=O)OC)cc1	784565663	LIZJWBQHRIBUSU-CYBMUJFWSA-N	297.351	1.072	10	20	CDCD	
COc1ccc(CNC(=O)c2ccc(C)n2C)c(O)c1	794382836	JGNYBROPEYTJLO-UHFFFAOYSA-N	274.320	1.978	10	20	CDCD	
COc1cc(CN2C[C@H](OC)[C@H](OC)C2)c(O)cc1C	792710337	OOXJVXMYBYSYFE-GASCZTMLSA-N	281.352	1.555	10	20	CDCD	
COc1ccc(CNC(=O)[C@H](C(C)C)N(C)C)c(O)c1	794378003	SJMQIAPBHIFTLO-AWEZNQCLSA-N	280.368	1.603	10	20	CDCD	
CNC(=O)CCCCC(=O)NCc1ccc(OC)cc1O	794377720	VATBZQQYZIUFJB-UHFFFAOYSA-N	294.351	1.323	10	20	CDCD	
COc1ccc(CNC(=O)c2c[nH]cc2C)c(O)c1	794377337	SAKJYUOHZZTOSR-UHFFFAOYSA-N	260.293	1.967	10	20	CDCD	
COC(=O)[C@@H]1[C@H]2CN(Cc3cc(C)cc(C)c3O)C[C@H]21	793657799	XPJNEDSMRGSFPQ-WDNDVIMCSA-N	275.348	1.860	10	20	CDCD	
Oc1ccc(Cl)c(F)c1CNC[C@@H]1COCCO1	790948583	LBTNDIJLWVZVMQ-MRVPVSSYSA-N	275.707	1.690	10	20	CDCD	
NC(=O)N=Nc1ccc(C(=O)NCCCNCCF)cc1	1177237533	CRQCKHLIFZUXNF-UHFFFAOYSA-N	295.318	1.528	10	20	CDCD	
CN(C)c1ccc(CN[C@H]2CCO[C@](C)(C(=O)O)C2)cc1	1332031733	XVPDAYUKFGBJCH-BBRMVZONSA-N	292.379	1.865	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1CCCNC[C@@H]1C(=O)O	1600236980	PHNGMNXZYMITKB-OAHLLOKOSA-N	291.395	1.310	10	20	CDCD	
COc1cccc(CNc2nc(C)cc(C(=O)O)n2)c1O	1599675506	HKZYQZXKHLHAHV-UHFFFAOYSA-N	289.291	1.810	10	20	CDCD	
C[C@@H](C[S@](C)=O)NCc1cc(Cl)ccc1O	164287153	FSSFKQVUYKKDNM-ZKANADHPSA-N	261.774	1.902	10	20	CDCD	
C[C@@H](NC(=O)Cc1cnn(C)c1)c1ccccc1O	827930319	GKZHGWHLDWRYQQ-SNVBAGLBSA-N	259.309	1.546	10	20	CDCD	
COc1c(N)ncnc1NCc1ccc(N(C)C)cc1	848644054	ZXOSCFNQBHMZJL-UHFFFAOYSA-N	273.340	1.746	10	20	CDCD	
COc1ccc(CN[C@@H]2CCN(C)[C@H](C)C2)c(O)c1	90721813	CXMFOMKAMQTACE-DGCLKSJQSA-N	264.369	1.973	10	20	CDCD	
COc1ccc(O)c([C@H](C)NCCn2cncn2)c1	394320050	CSNAPIBNGNBYMB-JTQLQIEISA-N	262.313	1.343	10	20	CDCD	
CN1CCCc2cc(CNC(=O)c3csnn3)ccc21	57550214	SKADOXWUMTZDRV-UHFFFAOYSA-N	288.376	1.851	10	20	CDCD	
COc1ccc(O)c(CNC(=O)CC[C@@H]2CCCO2)c1	114543632	OGNUWGYDNAIKTD-LBPRGKRZSA-N	279.336	1.976	10	20	CDCD	
CCOC(=O)N[C@@H](C(=O)NCc1ccc(N)cc1)C(C)C	1341923026	ITMICDRHPQESQC-CYBMUJFWSA-N	293.367	1.656	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2cn(C)nc2C)c1	113429528	IIQIYZZQECTZBX-SECBINFHSA-N	289.335	1.934	10	20	CDCD	
CN(C)c1ccc(CNc2ccc(C(N)=O)nn2)cc1F	301436796	SAIJNPIAROSSMF-UHFFFAOYSA-N	289.314	1.393	10	20	CDCD	
C/C=C\[C@@H]1CNC[C@H]1C(=O)NCc1c(O)cccc1F	1341122009	ALIIFUNQUDVKBJ-RQVXFDJMSA-N	278.327	1.559	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)CCCCc1c[nH]nn1	184870033	KZPAQFAEVRLWEB-UHFFFAOYSA-N	288.351	1.882	10	20	CDCD	
CN1CCO[C@@H](C(=O)N(C)Cc2ccc(N(C)C)cc2)C1	80987030	MBQQUALDUHDOLK-OAHLLOKOSA-N	291.395	1.042	10	20	CDCD	
C[C@H]1CCNC(=O)[C@@H]1NCc1ccc(N(C)C)cc1	193588511	DRIVEPKQWPJAID-SMDDNHRTSA-N	261.369	1.367	10	20	CDCD	
CCOCCNC(=O)COc1ccc(N2CCCC2)cc1	84506520	BWVRDEXJEHQUTM-UHFFFAOYSA-N	292.379	1.818	10	20	CDCD	
CN(CCCNC(=O)C(F)(F)F)Cc1ccccc1O	91619348	PDOHCJINIXFJOC-UHFFFAOYSA-N	290.285	1.893	10	20	CDCD	
CCC[C@H]1C(=O)NCCN1Cc1cc(OCC)ccc1O	93771786	PNHWJOFOIHFRNX-AWEZNQCLSA-N	292.379	1.891	10	20	CDCD	
COc1ccc(O)c(CN2CCS(=O)(=O)[C@@H](C)[C@@H]2C)c1	180350899	VITCLJGCCWMKCI-QWRGUYRKSA-N	299.392	1.408	10	20	CDCD	
CCS(=O)(=O)C[C@H](C)N[C@@H]1CCc2cccc(O)c21	296880377	OEJBZQZOXAAAQO-CMPLNLGQSA-N	283.393	1.792	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H](O)C1CC1	611651500	UGVJBYDAZBAUCI-AWEZNQCLSA-N	276.336	1.249	10	20	CDCD	
C[C@H]1CN(c2ccc(CNC(=O)CO)cc2F)C[C@@H](C)O1	270748514	HZMFJLDGAWHWLX-PHIMTYICSA-N	296.342	1.048	10	20	CDCD	
COc1ccc(O)c(CN2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)c1	364972799	LMVKYLSWDGQPGL-PSOPSSQASA-N	290.363	1.487	10	20	CDCD	
C[C@@H]1CC(=O)NCCN1Cc1cc(Cl)ccc1O	368594220	RTBMJFSHZAUKGO-SECBINFHSA-N	268.744	1.756	10	20	CDCD	
Oc1ccc(F)cc1CN1CCN([C@H]2CCC[C@H]2O)CC1	361049748	DNSXRQXSIVLANF-GOEBONIOSA-N	294.370	1.562	10	20	CDCD	
CC(=O)N1CCC[C@H](CNCc2ccccc2O)C1	279851724	RWDQKTVOARTJFZ-CYBMUJFWSA-N	262.353	1.740	10	20	CDCD	
Oc1cc2c(cc1CN1CC[C@@H]([C@@H]3CCOC3)C1)OCO2	372175264	GRQLWPAIVKMYIJ-VXGBXAGGSA-N	291.347	1.979	10	20	CDCD	
COc1cccc(CNC(=O)NCCC2(O)CCC2)c1O	287839954	KZRBSONEOBIOFB-UHFFFAOYSA-N	294.351	1.505	10	20	CDCD	
CCOC(=O)/C(=C/c1cnccn1)c1nccn1C	809155376	VRJAOTSRRUPVSP-DHZHZOJOSA-N	258.281	1.314	10	20	CDCD	
CC(=O)C(=O)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1	808032253	UMGPMKXBGQQGRY-UHFFFAOYSA-N	273.248	1.616	10	20	CDCD	
Cc1ccc(O)c([C@@H](C)NC[C@H]2CNCCCO2)c1	817982654	VDIHBIODSMEJPY-CHWSQXEVSA-N	264.369	1.730	10	20	CDCD	
Cc1cc(CN(C)[C@@H]2CCNC2=O)ccc1N(C)C	815076428	FOOARHSULFCFFE-CQSZACIVSA-N	261.369	1.381	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)NCCCC(=O)O	818473555	UFJRANFSIMDIMH-UHFFFAOYSA-N	293.367	1.759	10	20	CDCD	
Cc1cc(CN2C[C@H]3C[C@]3(CO)C2)ccc1N(C)C	815099841	MXQZRXVEOYCWML-GDBMZVCRSA-N	260.381	1.875	10	20	CDCD	
C[C@H](N)[C@H]1COCC[C@H]1NCc1ccc(N(C)C)c(F)c1	817901774	YHVIEOZSBGQUEN-NJZAAPMLSA-N	295.402	1.734	10	20	CDCD	
CN(C)c1nc(NCc2c(O)cccc2Cl)n[nH]1	818215081	WKFCRKKONOLTSZ-UHFFFAOYSA-N	267.720	1.842	10	20	CDCD	
CC[C@H](NCc1cc([N+](=O)[O-])ccc1O)[C@H](C)O	824920910	BXZFSHTWZJMKAH-KWQFWETISA-N	254.286	1.549	10	20	CDCD	
N[C@@H](CC(F)F)C(=O)NCc1ccc(N2CCCC2)cc1	827004332	FNXUSCQMJOMQML-ZDUSSCGKSA-N	297.349	1.886	10	20	CDCD	
O=C(CCc1ccon1)NCCc1ccc(O)c(O)c1	830532008	QYDFTLUTFKTSPZ-UHFFFAOYSA-N	276.292	1.377	10	20	CDCD	
Nc1cnc(C(=O)NCc2c(O)ccc3c2CCCC3)cn1	830597192	BLPIUDGKIFDNFE-UHFFFAOYSA-N	298.346	1.573	10	20	CDCD	
CC[C@@H](NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C(N)=O	838559959	REJUTKWBAGJFLR-GXFFZTMASA-N	292.383	1.377	10	20	CDCD	
COCCC[C@@H](C)C(=O)NCc1ccc(O)cc1O	910949993	RSGDRZKOYADWMI-SNVBAGLBSA-N	267.325	1.777	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)Cc2ncc[nH]2)c1	830540853	OODAQPSRXNRAOY-VIFPVBQESA-N	275.308	1.544	10	20	CDCD	
O=C1C[C@@H](CNCc2cc(F)ccc2O)CN1C1CC1	846070959	BDQVGTCMWBUAPP-JTQLQIEISA-N	278.327	1.632	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@H](N)C(C)C	841828530	VAWJZXFJHROHFU-OAHLLOKOSA-N	292.427	1.844	10	20	CDCD	
COc1ccc(CNC(=O)C[C@H](C)n2ccnc2)c(O)c1	846062012	WMZHBSVYGOHWMZ-NSHDSACASA-N	289.335	1.865	10	20	CDCD	
COc1ccc(O)c(CN[C@H](C(=O)O)C(C)C)c1	43430319	GBFGSPFNZRSTRT-LBPRGKRZSA-N	253.298	1.600	10	20	CDCD	
CN(C)C1(CNCc2cc([N+](=O)[O-])ccc2O)CC1	841891421	LBRBOJZOOLCUSP-UHFFFAOYSA-N	265.313	1.484	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC[C@H](O)CN1CCCC1	840930883	PRIHSQUQQADEIQ-KRWDZBQOSA-N	291.439	1.607	10	20	CDCD	
Cc1ccc(O)c(CNC2COC(C)(C)OC2)c1	758010438	MVDPELJTXMYVPD-UHFFFAOYSA-N	251.326	1.942	10	20	CDCD	
C[C@@H](CCNC(=O)/C=C/c1ccc(O)c(O)c1)N(C)C	855415444	ICMLLSPWIKIZRL-ZRQQLDRUSA-N	278.352	1.567	10	20	CDCD	
CCN(CC)C(=O)[C@@H](C)OC(=O)c1cccc(O)c1O	758559420	IURVWAQYKTYCSB-SECBINFHSA-N	281.308	1.512	10	20	CDCD	
C[C@@H](C(=O)NCCc1ccc(O)c(O)c1)c1cnn(C)c1	762267332	DWZVOUXJMXBZCP-SNVBAGLBSA-N	289.335	1.294	10	20	CDCD	
C[C@@H](CNCc1ccc(N(C)C)cc1)S(C)(=O)=O	697579507	LGJOCBUFXTYRRL-NSHDSACASA-N	270.398	1.275	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1nnn(C)c1C	935948504	NQKJIXGSXDGWFL-UHFFFAOYSA-N	295.339	1.245	10	20	CDCD	
COCCOCCOC(=O)c1ccc(C)c(O)c1O	768950942	RWGPLNFVTTVDBD-UHFFFAOYSA-N	270.281	1.226	10	20	CDCD	
Oc1cc2c(cc1CN1CCC3(C1)OCCO3)OCO2	769312102	ZZLVLAQLKVVSAG-UHFFFAOYSA-N	279.292	1.070	10	20	CDCD	
COCCn1cc(C(=O)NCc2cc(C)ccc2O)cn1	869410948	PCRMWLBQNJFJME-UHFFFAOYSA-N	289.335	1.474	10	20	CDCD	
c1cc(N2CCCC2)ccc1CN1C[C@H]2CNC[C@@H]2C1	1116449614	RPNOMWYTWWRKIA-HZPDHXFCSA-N	271.408	1.938	10	20	CDCD	
COCCO[C@@H]1COCC[C@@H]1N[C@@H](C)c1ccccc1O	776868580	IQXHETLBPIKTFF-DUVNUKRYSA-N	295.379	1.863	10	20	CDCD	
C[C@@H](NC(=O)N[C@@H]1CCOC1)c1ccc(N(C)C)cc1	773414046	LGTNSYVMJUWRST-DGCLKSJQSA-N	277.368	1.902	10	20	CDCD	
CC[C@H](COC)NCc1cc(OC)c(OC)cc1O	776213556	UEELGZCLJKHFGJ-LLVKDONJSA-N	269.341	1.924	10	20	CDCD	
CC[C@@H](C(=O)N[C@H](C)c1ccccc1O)[C@H](C)O	881440447	BRUVHFUVGNXALE-OUAUKWLOSA-N	251.326	1.976	10	20	CDCD	
COC[C@H](NCc1cc(F)cc(F)c1O)[C@H]1CCCO1	883106188	KSTFIWOHHKBVGG-QWHCGFSZSA-N	287.306	1.954	10	20	CDCD	
Nc1ccc(OCc2cn([C@@H]3CCCC[C@@H]3O)nn2)cc1	881404428	KRUKFAFTGHJUIR-CABCVRRESA-N	288.351	1.915	10	20	CDCD	
C[C@@H](NCC(C)(C)C(N)=O)c1c(O)cccc1F	886559717	CAGZNFXQXHRBMV-MRVPVSSYSA-N	254.305	1.693	10	20	CDCD	
Cn1c(-c2sccc2O)nnc1N1CCSCC1	1121366787	ROYCKNCOBQWZOO-UHFFFAOYSA-N	282.394	1.802	10	20	CDCD	
CN(C)c1ccc(CNC(=O)C(=O)N2CCC2(C)C)cc1	785423635	DQUJZEICVGYTOT-UHFFFAOYSA-N	289.379	1.380	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNCCO[C@@H]1CCOC1	897202701	WOFIGGHYBLHQKD-MRXNPFEDSA-N	278.396	1.956	10	20	CDCD	
O=C(NCCCSc1nccs1)C(=O)NC1CCC1	788462968	QLTSWUSUGVQEGQ-UHFFFAOYSA-N	299.421	1.410	10	20	CDCD	
CO[C@H]1CN(Cc2ccc(N(C)C)cc2C)CCO1	895963908	RXIQZEXIIUXRMT-OAHLLOKOSA-N	264.369	1.866	10	20	CDCD	
COCc1nccc(NCCc2ccc(O)c(O)c2)n1	892818380	KVBMDAXJAZOFGH-UHFFFAOYSA-N	275.308	1.689	10	20	CDCD	
C[C@H]1CN(Cc2cc(Br)ccc2O)C[C@H]1O	897684437	OYSIBEFBCCBQRY-QPUJVOFHSA-N	286.169	1.967	10	20	CDCD	
C[C@@H]1CN(Cc2c(O)cccc2Cl)C[C@H](CO)O1	787418486	WQRMNMXXDLRWFN-NXEZZACHSA-N	271.744	1.627	10	20	CDCD	
CCS(=O)(=O)C[C@@H](C)N(C)Cc1cc(C)ccc1O	93417304	ZHAJXZNXYGRRNI-GFCCVEGCSA-N	285.409	1.956	10	20	CDCD	
CCOc1cccc(CN(CC)CC(N)=O)c1O	188466386	CZGWUJLUHPQMAK-UHFFFAOYSA-N	252.314	1.098	10	20	CDCD	
OCC[C@@H]1CCC[C@H]1NCc1cc2c(cc1O)OCO2	189932992	BBTNVYOUJFVZQZ-CMPLNLGQSA-N	279.336	1.762	10	20	CDCD	
COCc1nsc(NC(=O)c2cccc(O)c2O)n1	790928339	SYCZTYIORIIZSI-UHFFFAOYSA-N	281.293	1.348	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N1CCC[C@H](O)C1	790102328	ABKCARMXQQAHBJ-QZPNVGJNSA-N	263.293	1.094	10	20	CDCD	
O=C(NCCN1CC=CCC1)c1cc(O)cs1	795758232	JAZOIEKEWLWNNB-UHFFFAOYSA-N	252.339	1.445	10	20	CDCD	
Cc1ccc(O)c(CNS(=O)(=O)N2CCC[C@H]2C)c1	1331575455	VHNRIRLCXCGVCT-LLVKDONJSA-N	284.381	1.519	10	20	CDCD	
COc1ccc(CN[C@H](C(=O)O)[C@@H](C)OC)cc1C	1333891741	AZIZMGAUHGZBBS-MFKMUULPSA-N	267.325	1.581	10	20	CDCD	
O=C(O)C[C@@]1(NCc2ccccc2O)CCOC1	1350611260	QTNGZZGBKKQBFB-ZDUSSCGKSA-N	251.282	1.116	10	20	CDCD	
Nc1ccc(CC(=O)N[C@@H]2CCN3CCCC[C@@H]23)cc1	217806173	OKOZGXCUJNMHTE-CABCVRRESA-N	273.380	1.554	10	20	CDCD	
O=C(NCc1cccc(O)c1O)[C@H]1CCCc2n[nH]cc21	1521852068	RYSSIFWELHDXEO-JTQLQIEISA-N	287.319	1.557	10	20	CDCD	
O=C(N[C@H](CC(F)F)C(=O)O)c1cc(O)cs1	1601406395	LVHZQMJDLXQKRN-RXMQYKEDSA-N	265.237	1.292	10	20	CDCD	
C[C@@H](NC(=O)C1(C)CNC1)c1ccc(N(C)C)cc1	1576181713	QFBJWRKAPRCTRG-LLVKDONJSA-N	261.369	1.539	10	20	CDCD	
C[C@H]1CN(Cc2ccc(F)c(F)c2O)[C@@H](C)CN1	1576809262	RKGIMYTVSLOBBU-IUCAKERBSA-N	256.296	1.853	10	20	CDCD	
COC(CN(Cc1ccccc1O)C[C@@H]1CCCO1)OC	161798051	AVVONWIISLIROT-AWEZNQCLSA-N	295.379	1.992	10	20	CDCD	
CCN1CCCC[C@H]1C(=O)NCCc1ccc(O)c(O)c1	154006878	KKJJXYWYUSYOOR-ZDUSSCGKSA-N	292.379	1.631	10	20	CDCD	
CCc1cccc(CNC[C@@H]2CCCS(=O)(=O)C2)c1O	848912597	STYKZQKDIFXECT-LBPRGKRZSA-N	297.420	1.869	10	20	CDCD	
C[C@@H](Cn1cccn1)NC(=O)Cc1ccc(N)cc1	36999163	MSDXXMJEKBSBKH-NSHDSACASA-N	258.325	1.213	10	20	CDCD	
Nc1ccc(NC(=O)N2CCN(C3CCC3)CC2)cc1	328432091	VVOQDCBBNHWVBL-UHFFFAOYSA-N	274.368	1.971	10	20	CDCD	
Cc1cc(OCC(=O)NCc2ccccc2O)no1	701136078	MITSKYVHXRIVQI-UHFFFAOYSA-N	262.265	1.384	10	20	CDCD	
CC[C@H](NCc1cc(F)cc(F)c1O)C(=O)NC	708496597	MJZZLJVDMXPTRA-JTQLQIEISA-N	258.268	1.285	10	20	CDCD	
COc1cccc(CN2C[C@H](C)[C@@](C)(C(=O)O)C2)c1O	710352255	IDWIERMZISOFCO-BONVTDFDSA-N	279.336	1.943	10	20	CDCD	
COCCN(CCO)Cc1cccc(Cl)c1O	305783342	WCSSADUKKLRLPJ-UHFFFAOYSA-N	259.733	1.486	10	20	CDCD	
CN(C)[C@H](CNC(=O)c1cccc(O)c1O)c1ccco1	186755354	BPPBPDLPXVGIHH-LLVKDONJSA-N	290.319	1.724	10	20	CDCD	
CCOc1ccc(O)c(CN2CCNC(=O)[C@@H]2C)c1	123516139	UJXAXPBPMKBKJR-JTQLQIEISA-N	264.325	1.111	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)[C@@H]1CCC(=O)N1	120572781	NDDPIWPWQKUNIM-LBPRGKRZSA-N	276.336	1.409	10	20	CDCD	
CNC(=O)CCCN(C)Cc1cc(F)ccc1O	180213019	ABWYGCPRILVUFA-UHFFFAOYSA-N	254.305	1.489	10	20	CDCD	
COc1cccc(CNC(=O)Cc2ccc(O)cc2)c1O	133584759	AWIRDZXHURBEJO-UHFFFAOYSA-N	287.315	1.965	10	20	CDCD	
NC(=O)CCn1ccc(NCc2c(O)cccc2Cl)n1	134082523	QAESBCHWNRWJMT-UHFFFAOYSA-N	294.742	1.730	10	20	CDCD	
CC[C@@H](C(=O)NCCc1ccc(N)cc1)N1CCCC1=O	236979461	MQEZZPWCWHNOPX-AWEZNQCLSA-N	289.379	1.329	10	20	CDCD	
Cc1c(CNC(=O)C(=O)N(C)C2CC2)n(C)c2ccccc12	359824575	ZZRMDTHFWVCJKD-UHFFFAOYSA-N	299.374	1.724	10	20	CDCD	
COCCO[C@H]1CCN(C(=O)c2ccc(C)c(O)c2O)C1	275448499	CJHDRYSOLXNQOK-NSHDSACASA-N	295.335	1.284	10	20	CDCD	
COC[C@@H]1CCN(C(=O)c2c(F)ccc(O)c2O)C1	276511646	BIKFNCRIUZJWSH-MRVPVSSYSA-N	269.272	1.345	10	20	CDCD	
COC(=O)C(C)(C)CNC(=O)c1c(F)ccc(O)c1O	276510020	AZQPQUJSSZRFFA-UHFFFAOYSA-N	285.271	1.166	10	20	CDCD	
COc1ccc(N(C)C[C@@H]2CCS(=O)(=O)C2)cc1F	280191212	ZXMDMTBDBBWMAW-JTQLQIEISA-N	287.356	1.705	10	20	CDCD	
OCCOC1(CNCc2ccccc2O)CCOCC1	282677231	NEDFSGMVHUCJDT-UHFFFAOYSA-N	281.352	1.040	10	20	CDCD	
CC(=O)C(=O)COC(=O)COc1ccccc1C(C)C	808489870	HKDQTUWSROPXKL-UHFFFAOYSA-N	278.304	1.890	10	20	CDCD	
Cn1ncc(C(=O)NCc2ccccc2O)c1C1CC1	299556999	MICBIUVOXIHKMT-UHFFFAOYSA-N	271.320	1.933	10	20	CDCD	
CCn1ccnc1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	291585170	CTQSWBZWMOIHTA-SNVBAGLBSA-N	289.335	1.675	10	20	CDCD	
Cn1cc(/C=C\C(=O)N2C[C@@H](CO)Cc3ccccc32)cn1	816782626	BXJNKGGTYPWHAF-AFNCTOJWSA-N	297.358	1.631	10	20	CDCD	
CC(=O)N[C@H]1CCN(Cc2c(O)ccc(Cl)c2F)C1	817415407	SHXULNDRJZAMFJ-VIFPVBQESA-N	286.734	1.895	10	20	CDCD	
COc1ccc(CNC(=O)[C@@](C)(OC)C2CC2)c(O)c1	812561197	GPWCSSIKOTZIML-HNNXBMFYSA-N	279.336	1.832	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)NC[C@@H]2CCCCN2)c1	817949686	MIWYUKGWTWESNZ-AAEUAGOBSA-N	292.379	1.972	10	20	CDCD	
C[C@H](NC1CNC1)c1cc(Br)cc(F)c1O	817956386	XVXHOKSFNVTYES-LURJTMIESA-N	289.148	1.916	10	20	CDCD	
CCOc1ccc(CN[C@H]2CCN(C)C2)c(O)c1	729682584	WBGGDUGZICEJED-LBPRGKRZSA-N	250.342	1.585	10	20	CDCD	
COc1cc(O)c(CN2CCC[C@H]2C(=O)O)cc1OC	820775458	WNTXGXANOPDFHF-JTQLQIEISA-N	281.308	1.458	10	20	CDCD	
CC[C@H](C(=O)N[C@H](C)c1ccccc1O)N1CCCC1=O	827937136	LWLOOFDLYQAFAB-DGCLKSJQSA-N	290.363	1.970	10	20	CDCD	
CC(C)(C)[C@H](C(=O)O)C(=O)NCc1c(O)cccc1F	902853210	JZHNBPCBMRHRFO-NSHDSACASA-N	283.299	1.894	10	20	CDCD	
CCOc1ccccc1NC[C@@H](O)C[C@@]1(O)CCOC1	905294709	JOEDHXWQDWXWKW-WFASDCNBSA-N	281.352	1.400	10	20	CDCD	
CCCOCC(=O)NC[C@@H](N)c1ccc(N(C)C)cc1	832278513	DGTPSJYYUWZAON-CQSZACIVSA-N	279.384	1.295	10	20	CDCD	
C[C@H](NC(=O)O)C(=O)NCc1ccc(N(C)C)cc1	833739699	NXGVVVXOYNQZAN-VIFPVBQESA-N	265.313	1.025	10	20	CDCD	
OC[C@H](N[C@@H]1CCc2cccc(O)c21)C1CCOCC1	834761958	WJLOSYVPVVFREP-KGLIPLIRSA-N	277.364	1.757	10	20	CDCD	
CN(C[C@H]1CCOC1)c1ccc(OCC(=O)O)cc1	833693376	VMGKQHDOECWQLI-LLVKDONJSA-N	265.309	1.623	10	20	CDCD	
CC[C@H]1C(=O)NCCN1Cc1ccc(N(C)C)cc1C	840914126	PDNCOQWVLBZDCG-HNNXBMFYSA-N	275.396	1.771	10	20	CDCD	
C[C@H]1CCN[C@@H](C(=O)NCCc2ccc(N)cc2)C1	841848119	VOBUHFARUVSFSV-SMDDNHRTSA-N	261.369	1.316	10	20	CDCD	
Cc1cccc2ncc(C=C3C(=O)N(C)C(=O)N(C)C3=O)n12	749001284	RVTIKIUJZHQFDY-UHFFFAOYSA-N	298.302	1.077	10	20	CDCD	
COc1ccc(N(C)CCN(C)C(=O)c2nc[nH]n2)cc1	846442804	YSGRDNRSJAHSER-UHFFFAOYSA-N	289.339	1.022	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CC[C@H]([C@H](C)N)C2)c1O	843364498	KNZFKTGZVKDVHZ-ONGXEEELSA-N	280.343	1.903	10	20	CDCD	
CCNCCNC(=O)NCc1ccc(N(C)C)cc1C	841828268	RNKOVZIXHJVSJL-UHFFFAOYSA-N	278.400	1.470	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H](C)CN	841963012	NQWXVRFQNOZMTH-CYBMUJFWSA-N	292.427	1.879	10	20	CDCD	
Cn1nccc1COC(=O)/C=C/c1ccc(O)c(O)c1	759595054	PMIPLERIXCBGIF-HWKANZROSA-N	274.276	1.588	10	20	CDCD	
CCO[C@H]1COCC[C@H]1NCc1cccc(OC)c1O	759173065	MJKSDYNRISMDPS-OCCSQVGLSA-N	281.352	1.684	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCOC(=O)N1	858199127	BKYXDVRDLXOPSB-CYBMUJFWSA-N	291.351	1.210	10	20	CDCD	
C[C@H]1C[C@@H](NC(=O)NCc2ccccc2O)CN1C1CC1	753926759	UFYZFBXUSOKODL-WCQYABFASA-N	289.379	1.817	10	20	CDCD	
COc1ccc(N2CCC(NC/C=C\CO)CC2)cc1	850357564	NUYVPSGQVBPXCH-IHWYPQMZSA-N	276.380	1.802	10	20	CDCD	
CCC[C@H](O)CC(=O)N(C)Cc1ccccc1O	750425089	RHIRZHQFUZDIJK-LBPRGKRZSA-N	251.326	1.902	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@H]2CCCNC2=O)cc1F	865051496	MJHRPJATSKUTKT-LLVKDONJSA-N	293.342	1.034	10	20	CDCD	
C[C@@H](N[C@H](C)c1ccccc1O)C(=O)NC[C@H]1CCCO1	879649787	USTVUZOWVOLHDV-JHJVBQTASA-N	292.379	1.727	10	20	CDCD	
C[C@H]1CN(Cc2cc3c(cc2O)OC[C@@H]3O)CCCO1	768448872	YBCNJPLIOFDOBU-HZMBPMFUSA-N	279.336	1.429	10	20	CDCD	
COC[C@@](C)(O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	775406356	XRTRFPBMDKYWSP-IAQYHMDHSA-N	280.368	1.327	10	20	CDCD	
Cc1ccc(CN2CCC3(CC2)COC(=O)N3)c(O)c1	877312007	BSJPSIVWFYVUIA-UHFFFAOYSA-N	276.336	1.775	10	20	CDCD	
Nc1ccc(NC(=O)N2CCO[C@H](C(F)F)C2)cc1	873329369	YQDWIZAJOQGGCT-JTQLQIEISA-N	271.267	1.767	10	20	CDCD	
Oc1ccccc1CNc1cncc(-n2cccn2)n1	774525267	WZXCYJLYLHUFKS-UHFFFAOYSA-N	267.292	1.980	10	20	CDCD	
C[C@@H](NC(=O)N1CCC[C@H]1CO)c1ccc(N(C)C)cc1	776249797	RIYIQADQZOSYRL-DOMZBBRYSA-N	291.395	1.980	10	20	CDCD	
CC(C)CN(C)S(=O)(=O)NCc1ccccc1O	778006669	VQJDEXYHBHIPCV-UHFFFAOYSA-N	272.370	1.314	10	20	CDCD	
COC(C)(C)CNCc1ccc(N2CCN(C)CC2)cc1	771844216	XGKXIICLHNMPIT-UHFFFAOYSA-N	291.439	1.953	10	20	CDCD	
CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	891944964	RNNJQPJUTXYALL-CYBMUJFWSA-N	264.373	1.284	10	20	CDCD	
COc1cc(C)cc(CN[C@@H]2CCN(C)C2)c1O	894241891	ODWCNIXIXVQGQA-GFCCVEGCSA-N	250.342	1.503	10	20	CDCD	
C[C@]1(C(=O)OCC(=O)c2ccc(O)c(O)c2)CCCOC1	784631641	VZBWHKYUTQZZCR-HNNXBMFYSA-N	294.303	1.640	10	20	CDCD	
COc1ccc(CNC2CCN(C)CC2)c(O)c1OC	892454426	NSQOSEBQZICGPF-UHFFFAOYSA-N	280.368	1.593	10	20	CDCD	
C[C@H](C(=O)NC(C)(C)C)N(C)C(=O)c1cccc(O)c1O	790944615	CKCFFAWNKJEANV-SECBINFHSA-N	294.351	1.473	10	20	CDCD	
CC[C@H](NC(=O)NCc1ccc(N(C)C)cc1)C(=O)O	780351243	WBPXPWJAIIUPHQ-LBPRGKRZSA-N	279.340	1.415	10	20	CDCD	
CN1CCN(c2ccc(CNCCCCN)cc2F)CC1	1328682383	SBRBXUQSKJOLJQ-UHFFFAOYSA-N	294.418	1.406	10	20	CDCD	
Nc1ccc(CN[C@H]2C[C@@H]3CCCCN3C2=O)cc1	1334774468	IVXQWPUEPDUNHC-KBPBESRZSA-N	259.353	1.512	10	20	CDCD	
Nc1ccc(CN2CCN(Cc3ccncc3)CC2)cc1	1336117489	NSICLSRHLWLRDH-UHFFFAOYSA-N	282.391	1.982	10	20	CDCD	
C[C@H](CCCO)CNC(=O)NCc1ccc(N)cc1	1357790741	GBXQIJQJVDQPLS-LLVKDONJSA-N	265.357	1.477	10	20	CDCD	
Cn1c(C(=O)O)ccc1C(=O)NCc1ccccc1O	1608082543	OSMGCTJIGHLAJR-UHFFFAOYSA-N	274.276	1.359	10	20	CDCD	
CCCC[C@H](NC(=O)Cc1ccc(O)c(O)c1)C(=O)O	1605241576	BMNRZZIRSIDTND-JTQLQIEISA-N	281.308	1.400	10	20	CDCD	
CN(Cc1ccc(N2CCCC2)cc1)C(=O)C1(C)CNC1	1578489795	MVPMNNPMOGFFCU-UHFFFAOYSA-N	287.407	1.855	10	20	CDCD	
CCN1CCc2cc(CNCCOCC(=O)O)ccc21	1776877344	QKWHISLHQYMDOM-UHFFFAOYSA-N	278.352	1.260	10	20	CDCD	
CC(C)N(C)CC(=O)NCc1ccc(O)c(O)c1	159135980	DGDWMQWIEJYODM-UHFFFAOYSA-N	252.314	1.054	10	20	CDCD	
CN(Cc1cc(F)cc(F)c1O)C[C@@H]1COCCO1	895259247	JDDKNHZRDYMXQD-LLVKDONJSA-N	273.279	1.518	10	20	CDCD	
CC[C@H](C)NC(=O)CCNC(=O)Nc1ccc(N)cc1	45011780	VIHXGVJRMLMOKP-JTQLQIEISA-N	278.356	1.695	10	20	CDCD	
CCOC(=O)CC[C@H](O)CNc1ccccc1OC	385763097	YXKPZVBGLPRJER-NSHDSACASA-N	267.325	1.811	10	20	CDCD	
CNC(=O)CN(C)C(=O)c1cc(C)n(-c2ccccc2)c1C	60883885	NSLPMMKCAVTBFE-UHFFFAOYSA-N	299.374	1.912	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H]2CCCOCC2)c(O)c1O	182995131	SDDNNOMRDWEWCB-SNVBAGLBSA-N	265.309	1.705	10	20	CDCD	
Cc1ccc(C(=O)NC[C@H](C)Cn2ccnc2)c(O)c1O	182487158	LOIXJWWKVWWQLJ-JTQLQIEISA-N	289.335	1.669	10	20	CDCD	
CN(C[C@H]1CCC[C@H]1O)C(=O)/C=C/c1ccc(O)c(O)c1	181261666	DPCZHJUVPCRPNF-ZYARKTQMSA-N	291.347	1.730	10	20	CDCD	
COC(=O)CN(C)Cc1cc(Cl)cc(OC)c1O	184679942	LTWASQHPAMHKMU-UHFFFAOYSA-N	273.716	1.659	10	20	CDCD	
CCN(CC)C(=O)c1cc(NS(C)(=O)=O)ccc1O	48923363	AXJSRMABACYTMP-UHFFFAOYSA-N	286.353	1.246	10	20	CDCD	
Oc1ccc(F)cc1CN1CCN(c2ncccn2)CC1	139744755	XDLZPLSTMAZYMO-UHFFFAOYSA-N	288.326	1.644	10	20	CDCD	
CC(C)(C)C[C@H](O)CNC(=O)Cc1ccc(N)cc1	178578847	MEEVOLXKANCWCB-ZDUSSCGKSA-N	264.369	1.725	10	20	CDCD	
Cc1ccc(O)c(CN2CCO[C@H]([C@H](C)N)C2)c1	228365299	DHMACDULHZNZAU-FZMZJTMJSA-N	250.342	1.249	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)c2n[nH]nc2C)cc1	193849196	LKZFNHNOGUEUSP-UHFFFAOYSA-N	287.367	1.889	10	20	CDCD	
COc1cccc(CN(C)C[C@H]2CCC[C@@H]2O)c1O	91899628	OUUSADQMXYOIEU-YPMHNXCESA-N	265.353	1.994	10	20	CDCD	
Cc1ccc(C(=O)N2CC(O)(C3CC3)C2)c(O)c1O	365476226	YPWBFHLBVPGODM-UHFFFAOYSA-N	263.293	1.003	10	20	CDCD	
COc1cc(O)c(CN[C@@H](C)[C@@H]2CCOC2)cc1OC	271811184	KUBNBDIFRWDNJB-WDEREUQCSA-N	281.352	1.924	10	20	CDCD	
C[C@]1(O)CCCN(C(=O)c2c(F)ccc(O)c2O)C1	296923737	AUNZLUWTSDYUPE-ZDUSSCGKSA-N	269.272	1.224	10	20	CDCD	
O=C(NCc1nc(C2CC2)n[nH]1)c1c(F)ccc(O)c1O	295395168	JLVQIQLUXFOPJH-UHFFFAOYSA-N	292.270	1.162	10	20	CDCD	
CC(=O)N1CCN(Cc2ccc(N(C)C)c(C)c2)CC1	293496237	NKSDBYYUGUVBFD-UHFFFAOYSA-N	275.396	1.725	10	20	CDCD	
CCOC(=O)CN(Cc1ccccc1O)C(=O)CC	819694842	OSIXAMCADYCLLK-UHFFFAOYSA-N	265.309	1.694	10	20	CDCD	
Cn1ncc2c1C[C@H](C(=O)Nc1ccc(N)cc1)CC2	818556473	TYLGVEKWCHLPAJ-SNVBAGLBSA-N	270.336	1.746	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCC[C@H](n2ccnn2)C1	819639625	IBGHCEGBJYNAPH-JTQLQIEISA-N	288.307	1.167	10	20	CDCD	
COc1cccc(O)c1CNCCc1nccnc1C	815155114	XGZPEGXODQZUDP-UHFFFAOYSA-N	273.336	1.832	10	20	CDCD	
CCC(=O)N[C@H](C)C(=O)N[C@H](C)c1ccccc1O	827930417	JWAOLAMTPPYLSJ-NXEZZACHSA-N	264.325	1.484	10	20	CDCD	
COC(=O)COc1ccc(N(C)CC[C@H](C)O)cc1	828790645	HZVRZWAWJVFXMS-NSHDSACASA-N	267.325	1.446	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)[C@H]2C[C@H]2C(=O)O)cc1	737089354	SXUHDCFZSSDVRO-UONOGXRCSA-N	290.363	1.870	10	20	CDCD	
Oc1ccc(F)cc1CN1CC(OCC(F)F)C1	839139297	YIJOIRAOKNHGQD-UHFFFAOYSA-N	261.243	1.997	10	20	CDCD	
CS[C@H](C)C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1	832299671	FVCCBEPLBHONDP-ZWNOBZJWSA-N	281.425	1.620	10	20	CDCD	
Cc1nccn1CCCN(C)C(=O)Cc1ccc(N)cc1	831425456	AJPHKPYKLXKMHY-UHFFFAOYSA-N	286.379	1.865	10	20	CDCD	
COc1ccc(O)c(CNC(=O)O[C@@H]2CCOC2)c1	914163230	WFPNTMQEIMCJNH-LLVKDONJSA-N	267.281	1.416	10	20	CDCD	
C[C@@H](NC(=O)N[C@H]1[C@@H]2CNC[C@@H]21)c1ccc(N(C)C)cc1	841882384	YGVJFWPAJXWAFB-RABLLNBGSA-N	288.395	1.331	10	20	CDCD	
O=S1(=O)CCN(Cc2ccccc2O)[C@H](C2CCC2)C1	840955982	FLSXRJVSIWGNSN-AWEZNQCLSA-N	295.404	1.791	10	20	CDCD	
CCc1cccc(CN[C@H](CO)[C@@H]2CCCOC2)c1O	848916381	GUZPAJQWEMESNA-HUUCEWRRSA-N	279.380	1.832	10	20	CDCD	
Oc1cc2c(cc1CN1CCC[C@H]3CNC[C@H]31)OCO2	841027535	RHMYVRBDWYNNCT-CMPLNLGQSA-N	276.336	1.305	10	20	CDCD	
C[C@@H](CN)N(C)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	841881632	UAASDFMQIFYYDD-NWDGAFQWSA-N	278.400	1.802	10	20	CDCD	
COC(=O)[C@@H]1CN(Cc2ccccc2O)C[C@H](C)O1	846059650	FWXFGNVLQANFER-GWCFXTLKSA-N	265.309	1.155	10	20	CDCD	
C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)c1cc(O)cs1	748322741	UHLYWQUPTKYMJU-KOLCDFICSA-N	268.382	1.866	10	20	CDCD	
NC[C@@H](NCc1ccc(N2CCOCC2)cc1)C1CC1	841029660	XYTFKQIIKCBVGK-MRXNPFEDSA-N	275.396	1.350	10	20	CDCD	
COCCCN(C)CCNC(=O)c1cc(O)cs1	743640054	ABSNDOONFISUJV-UHFFFAOYSA-N	272.370	1.152	10	20	CDCD	
Nc1ccc(CC(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1	843495884	UXKIRUMEQUCWPE-IMJJTQAJSA-N	286.375	1.885	10	20	CDCD	
C[C@H](NCCN1CCCC1=O)c1cc([N+](=O)[O-])ccc1O	846207198	ZZQJBBFHWUSRIJ-JTQLQIEISA-N	293.323	1.573	10	20	CDCD	
CN1CCN(c2ccc(CNC[C@@H]3CCN3C)cc2)CC1	922576257	ZNBOZPNXAXTKNS-KRWDZBQOSA-N	288.439	1.232	10	20	CDCD	
CC(C)CCOCCNC(=O)CN(C)c1ccc(N)cc1	863557444	ONEIAKFEPCULJS-UHFFFAOYSA-N	293.411	1.884	10	20	CDCD	
CN(C)c1cc(F)c(CN2CCC[C@H](O)C2)cc1F	862212690	UXMWFIWDXTVMJK-NSHDSACASA-N	270.323	1.988	10	20	CDCD	
CCc1cccc(CNCCN2CC[C@@H](O)C2)c1O	862531209	DEICZUMABCRWDA-CQSZACIVSA-N	264.369	1.111	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)CCCCNC(N)=O)c1	862761745	WDIAVUOMHILHBT-UHFFFAOYSA-N	279.340	1.155	10	20	CDCD	
Cc1ccc(CNC[C@@H](CO)[C@@H]2CCOC2)c(O)c1	877493423	BELFOWUIEMUKBX-KGLIPLIRSA-N	265.353	1.435	10	20	CDCD	
N[C@@]1(C(=O)NCc2c(O)ccc3c2CCCC3)CC1(F)F	870894143	JVVUWRVNYDUKFZ-CQSZACIVSA-N	296.317	1.624	10	20	CDCD	
Cc1ccc(CN2CCC[C@@H](NC(=O)N(C)C)C2)c(O)c1	877574745	UEYXDZXWEQTOBV-CQSZACIVSA-N	291.395	1.936	10	20	CDCD	
O=S1CCN(Cc2cc(Cl)cc(F)c2O)CC1	775680680	HIXUHELSIDJSRS-UHFFFAOYSA-N	277.748	1.749	10	20	CDCD	
CCON(CC)CC(=O)N(C)Cc1ccc(N(C)C)cc1	879794702	PQDLUJAHYMOJBP-UHFFFAOYSA-N	293.411	1.984	10	20	CDCD	
CN(C(=O)c1n[nH]c2c1CCC2)c1ccc(N)cc1	877078618	WXOJAQXBZGGOJW-UHFFFAOYSA-N	256.309	1.757	10	20	CDCD	
C[C@@H](NC(=O)NCCN(C)C)c1ccc(N(C)C)cc1	776242636	APNQKVDAFYPOID-GFCCVEGCSA-N	278.400	1.674	10	20	CDCD	
CCCOCC(=O)OCC(=O)c1ccc(O)c(O)c1	783213396	YHCWOOLWHJDHJA-UHFFFAOYSA-N	268.265	1.250	10	20	CDCD	
COc1ccc(CNC(=O)[C@@](C)(O)C(C)C)c(O)c1	794386832	CDNRQUIRKQCMIZ-AWEZNQCLSA-N	267.325	1.424	10	20	CDCD	
COc1ccc(O)c([C@H](C)NS(=O)(=O)N2CCC2)c1	795854230	SBCHCYSBTKNNOF-VIFPVBQESA-N	286.353	1.002	10	20	CDCD	
C[C@@H]1O[C@H](C)C[C@@H]1CNC(=O)c1cccc(O)c1O	686402238	XEMLRWQYJVQBOK-KXUCPTDWSA-N	265.309	1.641	10	20	CDCD	
C[C@@H](C(=O)O)N(Cc1cc(F)ccc1O)C1CC1	1609718453	RWLTZGDQNUOCBJ-QMMMGPOBSA-N	253.273	1.969	10	20	CDCD	
CN1CCCc2cc(CNC(=O)[C@]3(F)CCOC3)ccc21	1323120236	HEGPSAWEXHMMRF-INIZCTEOSA-N	292.354	1.814	10	20	CDCD	
COC(=O)CC(C)(C)N(C)Cc1cc2c(cc1O)OCO2	1254010644	HSELLEUXNDKFSB-UHFFFAOYSA-N	295.335	1.894	10	20	CDCD	
O=C(NCCCSc1nccs1)[C@@H]1NC[C@@H]2C[C@@H]21	1348838008	QTIPDVDDYHEPFM-LPEHRKFASA-N	283.422	1.349	10	20	CDCD	
Nc1ccc(CNC(=O)[C@@]2(c3ccccc3)CCNC2)cc1	1356228061	NKMYEYAOEJYJND-SFHVURJKSA-N	295.386	1.816	10	20	CDCD	
O=C(O)C[C@@H]1CN(Cc2cccc(F)c2O)CCO1	1601961557	FVAJALFWNNYCBY-SNVBAGLBSA-N	269.272	1.207	10	20	CDCD	
CC[C@H](NC1CC1)c1cccc(-c2nn[nH]n2)c1O	1604056001	SKBUEUDJTJYOTD-NSHDSACASA-N	259.313	1.775	10	20	CDCD	
C[C@H](NCCCCN)c1cc(C(=O)O)ccc1O	1609776518	BNKKCQOBABROIG-VIFPVBQESA-N	252.314	1.480	10	20	CDCD	
O=C(O)c1cnc(SCC(=O)N2CCC2)s1	1610863428	ZGUQEROFURUBBF-UHFFFAOYSA-N	258.324	1.166	10	20	CDCD	
CCOc1cccc(CN2CCN3C(=O)NC[C@@H]3C2)c1O	156065966	QCGNLESAVYTDRH-GFCCVEGCSA-N	291.351	1.000	10	20	CDCD	
Cc1ccc(CNC[C@@H]2CN3CCC[C@@H]3CO2)c(O)c1	877021592	GRVQEPWCIOAOKF-HUUCEWRRSA-N	276.380	1.653	10	20	CDCD	
Cc1cccc(O)c1CNCC1(S(C)(=O)=O)CC1	877488947	QMJITVYWTMJVRF-UHFFFAOYSA-N	269.366	1.367	10	20	CDCD	
COc1ccc(O)c(CN[C@@H]2CCN(C)[C@@H](C)C2)c1	128108224	SVQFGNJHNMQXCD-WCQYABFASA-N	264.369	1.973	10	20	CDCD	
C[C@@H]1CN(Cc2cc3c(cc2O)OCO3)[C@H](C)CO1	43751529	UHMUUJWNHPGDQI-NXEZZACHSA-N	265.309	1.730	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCC[C@@](F)(CO)C1	286610980	BJLQHEYLBJKQMD-ZDUSSCGKSA-N	269.272	1.034	10	20	CDCD	
O=C(O)CC(=O)NCCCSc1nccs1	309609495	MFOALAZCCPMNHE-UHFFFAOYSA-N	260.340	1.216	10	20	CDCD	
CCNC(=O)CN(C)Cc1cc(F)cc(F)c1O	708384295	OWYLJXJAYMTGEA-UHFFFAOYSA-N	258.268	1.238	10	20	CDCD	
CO[C@H]1C[C@H](NC(=O)N[C@H](C)c2ccccc2O)C1	868817452	GGTHZPNODXMGBT-GMTAPVOTSA-N	264.325	1.930	10	20	CDCD	
COC[C@@H](C)N(C)Cc1cc(OC)c(OC)cc1O	179439264	JBXZOCDOHMEUHY-SNVBAGLBSA-N	269.341	1.876	10	20	CDCD	
C[C@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)O	28713136	UCXUCKUTHVUDDW-MZTFZBDOSA-N	252.222	1.127	10	20	CDCD	
COc1cccc(CNC(=O)CC2CCOCC2)c1O	117413533	WKZODOCMEWUIBZ-UHFFFAOYSA-N	279.336	1.834	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)CN1CCCCCC1=O	63767184	TUENVILDLSXEFL-UHFFFAOYSA-N	290.363	1.753	10	20	CDCD	
CCOCCNC(=O)NCc1ccc2c(c1)CCCN2C	69722882	JNWWWPNXVYSHDL-UHFFFAOYSA-N	291.395	1.905	10	20	CDCD	
Cn1cc(/C=C/C(=O)N2CCSc3ccncc32)cn1	124885986	DCHWIDDOFRLEEC-NSCUHMNNSA-N	286.360	1.967	10	20	CDCD	
O[C@@H]1CC[C@@H](CNCc2ccc(N3CCOCC3)cc2)C1	188847764	FFAMVTFIBYEPEC-NVXWUHKLSA-N	290.407	1.774	10	20	CDCD	
CNC(=O)CCN(C)Cc1c(O)cccc1Cl	219773887	FGIWQZIRPXBCHK-UHFFFAOYSA-N	256.733	1.614	10	20	CDCD	
CCOc1cccc(CN(C)[C@@H]2CCNC2)c1O	71309212	LXVFGRWJMZRALE-GFCCVEGCSA-N	250.342	1.585	10	20	CDCD	
Cc1cccc(CN2CC[C@@H](S(C)(=O)=O)C2)c1O	282775899	PXXWAKIBWFEYFE-GFCCVEGCSA-N	269.366	1.320	10	20	CDCD	
C[C@@H]1CCS(=O)(=O)CCN1Cc1ccc(N(C)C)cc1	192054783	CGLWNLCOHXOTLR-CYBMUJFWSA-N	296.436	1.762	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)c1ccc(C(N)=O)cn1	132692843	CHAHXNCBAJQAIV-UHFFFAOYSA-N	285.303	1.158	10	20	CDCD	
OCCCN(CCO)Cc1cc(Cl)cc(Cl)c1O	93323992	FAWHAEYXVUAJSE-UHFFFAOYSA-N	294.178	1.876	10	20	CDCD	
C[C@@H](C(=O)N[C@H](C)Cc1ccc(O)c(O)c1)n1cccn1	274910331	IWZMRBPAORIOOV-MNOVXSKESA-N	289.335	1.603	10	20	CDCD	
CCOCCN[C@H](C)c1cc([N+](=O)[O-])ccc1O	273407666	OXYDPYZDWSDWIH-SECBINFHSA-N	254.286	1.988	10	20	CDCD	
Cc1ccc(C(=O)N2CC[C@H](O)C(C)(C)C2)c(O)c1O	275927169	VQNBYXHDRNXOIW-NSHDSACASA-N	279.336	1.639	10	20	CDCD	
Cc1ccc(C(=O)N[C@H]2CCCc3cn[nH]c32)c(O)c1O	272799933	YJIRHSYZEYAMJL-NSHDSACASA-N	287.319	1.937	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1cn(C)nn1	289943671	OPDJQGWTCYWGOY-UHFFFAOYSA-N	273.340	1.153	10	20	CDCD	
CC[C@H](NC[C@@H](O)COC)c1ccc(F)cc1O	286036574	KIPDGGXJUWLPTO-PWSUYJOCSA-N	257.305	1.579	10	20	CDCD	
CC(=O)C(=O)Cn1cnc2ccc(Cl)cc2c1=O	808016794	VXQWJIVYRCQAKV-UHFFFAOYSA-N	264.668	1.208	10	20	CDCD	
O=C(COCc1cccnc1)NCc1ccccc1O	806717151	BHZPNYXHGIDMHB-UHFFFAOYSA-N	272.304	1.620	10	20	CDCD	
C[C@H]1C[C@@H](N2CCOCC2)CN1C(=O)c1cc(O)cs1	807690498	SZYCGCAMFAVLNO-WDEREUQCSA-N	296.392	1.389	10	20	CDCD	
CC(=O)C(=O)COC(=O)Cc1ccc(Cl)cc1	808488400	GBWBFJHZLFYVIH-UHFFFAOYSA-N	254.669	1.584	10	20	CDCD	
CN(C(=O)c1ccoc1CC(N)=O)c1ccc(F)cc1	568375918	OZKYCJZYAJFTEY-UHFFFAOYSA-N	276.267	1.723	10	20	CDCD	
C[C@@H]1COCC[C@H]1NC[C@H](N)c1ccc(N(C)C)cc1	817942916	RNHBAPVSRHZDKD-UHOFOFEASA-N	277.412	1.767	10	20	CDCD	
CCn1cc(CN(C)C(=O)c2c(F)ccc(O)c2O)cn1	825836214	VWHFYHMXJCBZOJ-UHFFFAOYSA-N	293.298	1.726	10	20	CDCD	
CONC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1	823725900	KCUNAXKIMAKQGG-LLVKDONJSA-N	279.340	1.382	10	20	CDCD	
CC[C@H](O)[C@H](C)C(=O)NCc1ccc(OC)cc1O	907925296	FSMIAUSQAJRSLU-CABZTGNLSA-N	267.325	1.424	10	20	CDCD	
CN(C)CC(C)(C)NC(=O)/C=C\c1ccc(O)c(O)c1	837239142	KZGSDRGMYICGEV-VURMDHGXSA-N	278.352	1.567	10	20	CDCD	
Nc1ccc(CC(=O)N[C@H]2CCO[C@@H](C3CC3)C2)cc1	832002190	DNWUBSNVKQRKDG-LSDHHAIUSA-N	274.364	1.885	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)c2ncccn2)c1	735858678	YSVZPSHQVWVTJB-VIFPVBQESA-N	273.292	1.682	10	20	CDCD	
C[C@@H](OCC1CC1)C(=O)NCc1ccc(O)cc1O	910952184	RUPSDBMATGHECN-SECBINFHSA-N	265.309	1.529	10	20	CDCD	
CCN(CC)c1ccc(CN(C)CCS(N)(=O)=O)cc1	740873499	GDTRUPYWJBZKCE-UHFFFAOYSA-N	299.440	1.253	10	20	CDCD	
CCn1ccc(CNCc2cc([N+](=O)[O-])ccc2O)n1	840956095	KEHBVNHDMDUTOF-UHFFFAOYSA-N	276.296	1.807	10	20	CDCD	
COC(=O)N(C)CC(=O)NCc1cc(Cl)ccc1O	846473722	VZGWLQQMCURYDY-UHFFFAOYSA-N	286.715	1.360	10	20	CDCD	
C[C@@H](NCCN1CCCC1=O)c1cc([N+](=O)[O-])ccc1O	846207199	ZZQJBBFHWUSRIJ-SNVBAGLBSA-N	293.323	1.573	10	20	CDCD	
CCN(CC)c1ccc(CNC[C@@H]2CNCCO2)cc1F	841098021	ABGWGTWNPNVRKP-AWEZNQCLSA-N	295.402	1.750	10	20	CDCD	
O=C(N[C@@H]1CCN(CC(F)F)C1)c1cccc(O)c1O	841473754	QEJDBVZLURDEJC-MRVPVSSYSA-N	286.278	1.167	10	20	CDCD	
CCCNCCNCc1cc(OCC)ccc1O	841046801	NRCSBXOYWISMML-UHFFFAOYSA-N	252.358	1.880	10	20	CDCD	
CNCCNC(=O)NCc1cc(Cl)cc(Cl)c1O	841935797	ZJPLQFZWLWEEQJ-UHFFFAOYSA-N	292.166	1.718	10	20	CDCD	
Oc1c(F)cc(Cl)cc1CN[C@H]1[C@@H]2CNC[C@@H]21	841078557	UWALGMIEYVDVHP-JZYVYDRUSA-N	256.708	1.492	10	20	CDCD	
C[C@@H]1C[C@H](NCc2cc3c(cc2O)OCO3)CCN1	841062206	SXWLWQGFWZOVHJ-MWLCHTKSSA-N	264.325	1.351	10	20	CDCD	
C[C@@H](CN)CNC(=O)NCCCSc1nccs1	841858135	TYGRYHSEAVOWQT-VIFPVBQESA-N	288.442	1.519	10	20	CDCD	
COc1cc(O)c(CN2C[C@@H](C)NC[C@@H]2C)cc1OC	843119921	OAAOKEOXTDWWAE-MNOVXSKESA-N	280.368	1.592	10	20	CDCD	
CN(CCCCO)c1ccc(/C=C\C(=O)O)cc1[N+](=O)[O-]	844211617	DNJVJEWJDSFQDL-ALCCZGGFSA-N	294.307	1.901	10	20	CDCD	
CCOc1ccc(CN[C@@]2(CO)CCOC2)c(O)c1	757978686	PKZDURYJPJZDHE-CQSZACIVSA-N	267.325	1.032	10	20	CDCD	
CON(C)C(=O)[C@@H](C)N[C@@H](C)c1ccccc1O	858585851	BSRZQIHKWSUBOV-VHSXEESVSA-N	252.314	1.451	10	20	CDCD	
CCN1CCC[C@H]1CNC(=O)NCc1cc(C)ccc1O	858120773	LZMPRYXIWYQSQO-AWEZNQCLSA-N	291.395	1.984	10	20	CDCD	
CCSC1(CNC(=O)C(=O)Nc2ccc(N)cc2)CC1	850853427	UAPWQCDJRSSRNS-UHFFFAOYSA-N	293.392	1.609	10	20	CDCD	
CC1(C)OCC(NC(=O)c2cc(O)cs2)CO1	758745363	SOUKFGVRAFXBGB-UHFFFAOYSA-N	257.311	1.335	10	20	CDCD	
CN1CCC[C@@H]1C(=O)NCc1ccc2cccnc2c1O	862027796	GIORXDWARLXZLL-CYBMUJFWSA-N	285.347	1.651	10	20	CDCD	
Cc1noc(C(=O)NCCCSc2nccs2)n1	865935705	VQDPIFBQKJVLOG-UHFFFAOYSA-N	284.366	1.747	10	20	CDCD	
CCOC(=O)[C@H](C)NCc1cc(OCC)ccc1O	763277418	MRMJNLHDXMRRPO-JTQLQIEISA-N	267.325	1.832	10	20	CDCD	
COc1ccc(O)c(CN2CCCC[C@@H]2CNC(C)=O)c1	877676281	ZTRRYHHHBXCHPH-CQSZACIVSA-N	292.379	1.891	10	20	CDCD	
CNC[C@H](C)CNCc1cc(OC)c(OC)cc1O	1117953869	SDNIBGWIIAISFH-JTQLQIEISA-N	268.357	1.355	10	20	CDCD	
C[C@@H](NC(=O)NC1(C)COC1)c1ccc(N(C)C)cc1	875507874	MGNOBFVTMUQUSN-LLVKDONJSA-N	277.368	1.902	10	20	CDCD	
COc1cccc(CN[C@H]2CCCNC(=O)C2)c1O	877526612	SZADGYGGYLWCHA-NSHDSACASA-N	264.325	1.159	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCN(C)C1	773764128	XNNXGTQEOQBANW-ZYHUDNBSSA-N	278.352	1.097	10	20	CDCD	
CCN1CCC[C@@H](CNC(=O)c2ccc(C)c(O)c2O)C1	780918481	UXPNTFYYXQBKFC-LBPRGKRZSA-N	292.379	1.868	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@H](O)C[C@@H]1C	788324546	XJHOYRLXKYMSFV-SWLSCSKDSA-N	291.395	1.726	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)NCC[C@@H](O)C1CC1	890719321	DSLGVDYKEDIZIM-DBGMKRSLSA-N	277.320	1.388	10	20	CDCD	
CN(C)c1ccc([C@H](CNC(N)=O)N(C)C)cc1	899462624	JZSFXIRDMPIVQJ-LBPRGKRZSA-N	250.346	1.024	10	20	CDCD	
O=C(Nc1ccn(CC(F)F)n1)c1cccc(O)c1O	790861755	PPYVDFVMXKXHSD-UHFFFAOYSA-N	283.234	1.812	10	20	CDCD	
CCN(CC(=O)NC)Cc1cc(F)cc(F)c1O	708381445	AYBAVYYTVZBWFI-UHFFFAOYSA-N	258.268	1.238	10	20	CDCD	
Oc1c(F)cc(F)cc1CNC[C@@H]1COCCO1	708440658	DITYNSORUDBKDP-SNVBAGLBSA-N	259.252	1.175	10	20	CDCD	
COc1ccc(CNS(=O)(=O)c2ccccn2)c(O)c1	795357294	CQEFOXGAXOAAPJ-UHFFFAOYSA-N	294.332	1.274	10	20	CDCD	
CC[C@H]1CCN(C(=O)C(=O)N(C)Cc2ccccc2O)C1	1325636519	DCHXTRGSZHPHLL-LBPRGKRZSA-N	290.363	1.609	10	20	CDCD	
C[C@@H](NCc1ccc(N2CCN(C)CC2)c(F)c1)C(=O)O	1327753492	AXCJMTXMZMVRJT-LLVKDONJSA-N	295.358	1.140	10	20	CDCD	
Nc1ccc(CNC(=O)N[C@@H]2CCCc3c[nH]nc32)cc1	1262597255	JRQJEXXMQXLWID-CYBMUJFWSA-N	285.351	1.869	10	20	CDCD	
CN(C(=O)[C@H]1CCc2n[nH]cc2C1)c1ccc(N)cc1	1263167993	ARWZGGQWNCODTI-JTQLQIEISA-N	270.336	1.760	10	20	CDCD	
NCc1ccc(C(=O)NCc2cccc(O)c2O)o1	1580336917	XIIHPMNQMSCILB-UHFFFAOYSA-N	262.265	1.080	10	20	CDCD	
C[C@H](N[C@H]1C[C@@H](CO)C1)c1cc(C(=O)O)ccc1O	1593359592	JVTMNFZEJOKLAW-ATZCPNFKSA-N	265.309	1.512	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)CNCC1CC1	169102989	NKLBRZOBGJLDOH-UHFFFAOYSA-N	275.396	1.677	10	20	CDCD	
CN1CCC[C@H]2CN(C(=O)Cc3ccc(N)cc3)CC[C@@H]21	166513748	QNLADLBAYLKDCT-HOCLYGCPSA-N	287.407	1.754	10	20	CDCD	
NC(=O)c1ccc(NC(=O)c2cccc(O)c2O)cc1	126208188	LIBYISQVTBYIOM-UHFFFAOYSA-N	272.260	1.449	10	20	CDCD	
C[C@H]1CCCN(C(=O)c2cccc(O)c2O)[C@H]1C(=O)O	235633108	FCBFGYZZCZTYQX-GZMMTYOYSA-N	279.292	1.423	10	20	CDCD	
Oc1ccc(F)cc1CNCCO[C@@H]1CCOC1	897202698	WOFGFZNQKUITRU-GFCCVEGCSA-N	255.289	1.426	10	20	CDCD	
CC[C@H](NCCC(=O)N(C)C)c1ccccc1O	37751596	UFGHFNZHRQQEEV-LBPRGKRZSA-N	250.342	1.911	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC[C@H]2COCCO2)c1	38060299	REUJDEVGAMGEQX-PWSUYJOCSA-N	267.325	1.467	10	20	CDCD	
C[C@H](NCC1(O)CCN(C)CC1)c1cc(F)ccc1O	273607144	UMKOVPLNSHFPLL-NSHDSACASA-N	282.359	1.639	10	20	CDCD	
COC[C@]1(C)CCN(Cc2cc3c(cc2O)OCO3)C1	294113385	CZQDCFSUFPYJTP-OAHLLOKOSA-N	279.336	1.979	10	20	CDCD	
C[C@@H](CN1CCOCC1)N[C@H]1CCc2cccc(O)c21	295874847	HFVONIMKGIZYBP-JSGCOSHPSA-N	276.380	1.690	10	20	CDCD	
COc1cc(Cl)cc(CN[C@@H](C)C(=O)N(C)C)c1O	191806011	DJHIGXLYCONGHB-QMMMGPOBSA-N	286.759	1.621	10	20	CDCD	
CCOC[C@H]1CN(Cc2cc(F)ccc2O)CCO1	529664830	DYNQSYOXTJQTSO-CYBMUJFWSA-N	269.316	1.769	10	20	CDCD	
CCO[C@H](C)C(=O)N1CCOc2cc(N(C)C)ccc21	173193040	NUJLHDMESPZROT-LLVKDONJSA-N	278.352	1.903	10	20	CDCD	
C[C@H]1CN(Cc2cc(F)ccc2O)C[C@H]1C(=O)O	300436704	PDCGDVZBSNJZLW-GZMMTYOYSA-N	253.273	1.684	10	20	CDCD	
O=S(=O)(C[C@H]1CCCO1)Nc1ccc(O)cc1	63156124	HDAUJIYVESBEED-LLVKDONJSA-N	257.311	1.313	10	20	CDCD	
Oc1ccccc1CN1CCC(Cn2cncn2)CC1	189969986	ITKUUIJUCFDCRV-UHFFFAOYSA-N	272.352	1.896	10	20	CDCD	
COC(=O)[C@H]1[C@H](O)CCCN1Cc1cc(C)c(C)cc1O	188779647	XFPORJZPSRAIFY-UKRRQHHQSA-N	293.363	1.507	10	20	CDCD	
CNC(=O)[C@@H](C)CN(C)Cc1cc(F)cc(C(C)=O)c1O	79497956	XDWKFBPVOQMSCY-VIFPVBQESA-N	296.342	1.548	10	20	CDCD	
Cc1ccc(C(=O)N2CCSC[C@@H]2C)c(O)c1O	182485472	NFUIXHPPMZPKSZ-VIFPVBQESA-N	267.350	1.984	10	20	CDCD	
COC(=O)COc1ccc(N(C)C[C@H](C)O)cc1	192793584	XPRRURWNZYUTBB-JTQLQIEISA-N	253.298	1.055	10	20	CDCD	
COc1cccc(CNC[C@@]2(O)CCSC2)c1O	176752895	WYRJIFAWKQBXGU-ZDUSSCGKSA-N	269.366	1.358	10	20	CDCD	
CC(C)(C)C(=O)NCC(=O)NCc1ccccc1O	299615857	YNCAZFFWRVUTQE-UHFFFAOYSA-N	264.325	1.171	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)c1ccc(F)cn1	183646041	PXECEVDFOMFIQD-UHFFFAOYSA-N	276.267	1.604	10	20	CDCD	
CCNS(=O)(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	265488213	JWAUTEQREHPIEM-UHFFFAOYSA-N	297.424	1.571	10	20	CDCD	
CCN(C)S(=O)(=O)Nc1cc(C)c(O)c(C)c1C	274779634	KGLMZJRRCIQMIS-UHFFFAOYSA-N	272.370	1.926	10	20	CDCD	
CC[C@@H]1CN(C(=O)c2c(F)ccc(O)c2O)CCO1	276464040	CDWMQOBWBRWAFY-MRVPVSSYSA-N	269.272	1.488	10	20	CDCD	
COCC[C@@](C)(O)CNCc1cc(OC)c(OC)cc1O	271828033	OHOUSUNVVNVJRG-OAHLLOKOSA-N	299.367	1.287	10	20	CDCD	
CN(C)c1ccc(CN2CCOC[C@]23CCOC3)cc1F	282265213	KDVDEEIRYWWBBI-MRXNPFEDSA-N	294.370	1.883	10	20	CDCD	
O=C(c1c(F)ccc(O)c1O)N1CC[C@H](n2cccn2)C1	296283951	YWKGLNNVEKSEAT-VIFPVBQESA-N	291.282	1.521	10	20	CDCD	
COC[C@H](CO)N[C@@H](C)c1cc(Cl)ccc1O	290299892	YRAXGWCPHAVCAY-WPRPVWTQSA-N	259.733	1.704	10	20	CDCD	
CNC(=O)[C@H](CCSC)NCc1ccc(OC)c(C)c1	808437286	KUVPGGNYBPKDQY-ZDUSSCGKSA-N	296.436	1.961	10	20	CDCD	
O=C(NCc1cnn2ccccc12)c1cccc(O)c1O	804445027	DWLIVICOCRDZEK-UHFFFAOYSA-N	283.287	1.676	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@]2(C)CCNC2=O)c1	821065092	KUTAQQIFXSSXJC-VFZGTOFNSA-N	292.335	1.104	10	20	CDCD	
CN(C[C@H](O)C(F)(F)F)C(=O)c1c(F)ccc(O)c1O	827803346	MQAWOCYBHMIEEX-ZETCQYMHSA-N	297.204	1.232	10	20	CDCD	
CCCNC(=O)CN(CCC)C(=O)c1cc(O)cs1	732275359	WTVKANOFKNBAJA-UHFFFAOYSA-N	284.381	1.832	10	20	CDCD	
COC[C@H](C)CC(=O)NC[C@H](N)c1ccc(N(C)C)cc1	832267048	LZCKKZHHSICTRF-DOMZBBRYSA-N	293.411	1.541	10	20	CDCD	
CCC[C@H](O)CCNC(=O)c1c(F)ccc(O)c1O	900700132	JOVAOZFVGCJNBQ-QMMMGPOBSA-N	271.288	1.518	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@H](CCCO)C1	837190591	CPJSVKRFTLWKLL-BPJJOFIESA-N	291.347	1.732	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNCCS(=O)(=O)C(C)C	840946884	PZEFIWHFBUTQTH-UHFFFAOYSA-N	298.452	1.974	10	20	CDCD	
Cn1ncc2cc(C(=O)NCc3ccccc3O)cnc21	747518870	QJZIVEQLJXSXTE-UHFFFAOYSA-N	282.303	1.604	10	20	CDCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)OCCC2CC2)c1	744855225	UFSHKBXINPAEFS-UHFFFAOYSA-N	299.348	1.721	10	20	CDCD	
Nc1ccc(CCNC(=O)N2CCCC[C@@H]2CCO)cc1	841960966	YLPXNJUOQZBULY-OAHLLOKOSA-N	291.395	1.758	10	20	CDCD	
COCC1(N(C)C(=O)/C=C/c2ccc(O)c(O)c2)CC1	855338890	QBHDKSRTXQSXCY-GQCTYLIASA-N	277.320	1.748	10	20	CDCD	
CC(C)COC[C@H](O)CN(C)c1ccc(N)cc1	923400961	PELWJZMECAZKTL-CQSZACIVSA-N	252.358	1.739	10	20	CDCD	
CSCCNC(=O)NCc1cc(C)ccc1O	858118059	MLJIYRHHIJQOQL-UHFFFAOYSA-N	254.355	1.863	10	20	CDCD	
C[C@H](NCC[N+](=O)[O-])c1ccc(N2CCOCC2)cc1	930210520	NEBBMKSCNHNQEK-LBPRGKRZSA-N	279.340	1.451	10	20	CDCD	
CC[C@H]1C(=O)NCCN1Cc1cc(F)c(N(C)C)cc1F	862238631	CSGIQKAGTZBOMU-ZDUSSCGKSA-N	297.349	1.741	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCC[C@@]12CCOC2=O	779462480	OTNLACBTACBHPF-LBPRGKRZSA-N	267.306	1.375	10	20	CDCD	
COc1cccc(O)c1CN1CCc2nnc(O)cc2C1	775994140	FJZFPXNEJQFJCE-UHFFFAOYSA-N	287.319	1.455	10	20	CDCD	
Cc1ccc(CN2CCN(C[C@H]3CCCO3)CC2)c(O)c1	876541956	NJJFGPFXMSPFFP-MRXNPFEDSA-N	290.407	1.997	10	20	CDCD	
CC(C)OC(=O)CNC(=O)/C=C\c1ccc(O)c(O)c1	779484494	RRQKKLVZUVKBKI-XQRVVYSFSA-N	279.292	1.179	10	20	CDCD	
CNC(=O)C1(NCc2cc(C)ccc2O)CCCC1	779176933	UXMBEFCOAKKAHN-UHFFFAOYSA-N	262.353	1.849	10	20	CDCD	
CCOC(=O)[C@H](C)NC(=O)/C=C\c1ccc(O)c(O)c1	779500204	QPGZONQANMASPK-PGBBXKAQSA-N	279.292	1.179	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)c1ccn(C(F)F)n1	778920079	VJDZYXXJWYQOFK-UHFFFAOYSA-N	283.234	1.619	10	20	CDCD	
CCOc1ccc(CN[C@@H](C)c2ncn(C)n2)c(O)c1	780566303	QZOHSKCCEHDEIJ-JTQLQIEISA-N	276.340	1.770	10	20	CDCD	
COc1cccc(CN2CCC[C@]2(C)CO)c1O	789557807	NQWCICIACXGJBN-CQSZACIVSA-N	251.326	1.748	10	20	CDCD	
CS[C@@H](C)CC(=O)OCC(=O)c1ccc(O)c(O)c1	784386970	UNPCETLKWMNMLB-QMMMGPOBSA-N	284.333	1.965	10	20	CDCD	
COc1cc(C)cc(CNCCCO[C@H]2CCOC2)c1O	894331297	DOBCRNZLNQHBRI-AWEZNQCLSA-N	295.379	1.994	10	20	CDCD	
COCCOc1ccc(/C=C2\SC(=S)NC2=O)o1	899340603	GPBSYDWCYYFMLV-VURMDHGXSA-N	285.346	1.794	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@H]2COC[C@@H]2C)c1O	896734820	XJTLVXUOKJSEHM-WPRPVWTQSA-N	282.296	1.434	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCC[C@H](n2ccnc2)C1	790643267	LDXGHKUXVZTLEE-NSHDSACASA-N	287.319	1.772	10	20	CDCD	
[N-]=[N+]=NCC(=O)N1CCN(Cc2ccccc2)CC1	585143405	IWONHOFTYXZHLS-UHFFFAOYSA-N	259.313	1.641	10	20	CDCD	
CO[C@@H]1CCC[C@H]1CNC(=O)NCc1ccc(N)cc1	1338583013	PZTSQPCLEJLIPV-GXTWGEPZSA-N	277.368	1.883	10	20	CDCD	
CC1(C)CN(CCNCc2ccc(N)cc2)CCO1	1337838603	QFSLWHLCEFZSJP-UHFFFAOYSA-N	263.385	1.469	10	20	CDCD	
C[C@@](O)(CNC(=O)NCc1ccc(N)cc1)C1CC1	1338791916	CGWLHEKJKYNMOJ-CQSZACIVSA-N	263.341	1.229	10	20	CDCD	
Cc1nc([C@@H](C)NC(=O)c2c(F)ccc(O)c2O)no1	1261260314	JVRAMPJMACDKQW-RXMQYKEDSA-N	281.243	1.419	10	20	CDCD	
COCCCN(C)C(=O)NCc1ccc(N)cc1	1357792438	XUZAVLXWIVTDOH-UHFFFAOYSA-N	251.330	1.447	10	20	CDCD	
COc1ccc(N(C)CCN(C)c2ccnc(N)n2)cc1	1515854499	YOZKFAFRKMZAGP-UHFFFAOYSA-N	287.367	1.640	10	20	CDCD	
Cc1nc(CCN[C@@H](C)c2cc(C(=O)O)ccc2O)n[nH]1	1600698090	AZCGGWSUNVAVLF-QMMMGPOBSA-N	290.323	1.410	10	20	CDCD	
COc1ccc(CNC2CC(C(=O)O)C2)c(O)c1OC	1607260101	SSNBNWUIZNFOIM-UHFFFAOYSA-N	281.308	1.362	10	20	CDCD	
COc1cc(C)cc(CN[C@H]2CCN[C@@H]2C)c1O	1579145842	XTTYIYYMRPTGAH-PWSUYJOCSA-N	250.342	1.549	10	20	CDCD	
Cc1cc(CNC2(C(=O)O)CCOCC2)ccc1N(C)C	1594304870	XDBAGUAYQZTNBT-UHFFFAOYSA-N	292.379	1.784	10	20	CDCD	
COCC1(N[C@H](C)c2cc(C(=O)O)ccc2O)CC1	1599200793	UOFGNXULLDWPGU-SECBINFHSA-N	265.309	1.920	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CC[C@H]2CCNC2)cc1	134539670	HTTKOWQRUADDDC-AWEZNQCLSA-N	275.396	1.759	10	20	CDCD	
CCOc1ccc(O)c(CN2CCC[C@@H]2C(N)=O)c1	160362116	OWSKFBPVGKVGTP-GFCCVEGCSA-N	264.325	1.241	10	20	CDCD	
CCOc1ccc(O)c(CN2CCC(CC(N)=O)CC2)c1	159826652	UYHFSHCRIXYZSS-UHFFFAOYSA-N	292.379	1.878	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCC[C@H](CCO)CC1	817698962	XZGBUAFYBFHRSP-NSHDSACASA-N	279.336	1.723	10	20	CDCD	
OC[C@H](CC1CC1)NCc1cc(F)cc(F)c1O	883075534	DUXWGFBLVUYWDV-NSHDSACASA-N	257.280	1.921	10	20	CDCD	
C[C@@H](CC(N)=O)NCc1ccc(N2CCCC2)cc1	135712482	ASTXAFRMCOQHMO-LBPRGKRZSA-N	261.369	1.640	10	20	CDCD	
Nc1ccc(CC(=O)NCCCCCC(=O)O)cc1	40470182	GODVWKOBHCOPEI-UHFFFAOYSA-N	264.325	1.573	10	20	CDCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@H]2NCCOCCO	20198975	GLOOUJWMGSDPGS-NWDGAFQWSA-N	265.353	1.847	10	20	CDCD	
CCCNC(=O)CN[C@H](C)c1ccc(N(C)C)cc1	37262586	BGRXDYRKCAXXBJ-GFCCVEGCSA-N	263.385	1.929	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)CC1CCNCC1	38075996	VHLRQULJHUXBTF-UHFFFAOYSA-N	262.353	1.740	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@]1(C)CCNC1	62894666	BPVFIKJLLOSKCF-MRXNPFEDSA-N	275.396	1.711	10	20	CDCD	
Oc1ccc(Cl)cc1CNCCCn1cncn1	382011329	LCQOGSZRAUNDEE-UHFFFAOYSA-N	266.732	1.817	10	20	CDCD	
COc1ccc(CNCc2snnc2C)c(O)c1	384224551	FVOVVTAGEFXRHD-UHFFFAOYSA-N	265.338	1.851	10	20	CDCD	
COc1ccc(O)c(CN[C@H](CO)C[C@H]2CCCO2)c1	895746114	BVZJCGYFPXSJPB-GXTWGEPZSA-N	281.352	1.420	10	20	CDCD	
O=[N+]([O-])c1ccc(O)c(CNC[C@@]2(O)CCSC2)c1	176756895	NQTBBQXWMMCNAB-LBPRGKRZSA-N	284.337	1.258	10	20	CDCD	
Cc1n[nH]c(SCC(=O)N(C)Cc2ccccc2O)n1	177077377	QQRMXAYURQAMGM-UHFFFAOYSA-N	292.364	1.569	10	20	CDCD	
COC(=O)C(C)(C)NCc1cc(F)cc(C(C)=O)c1O	79401764	LWOVAGZMJVPXDI-UHFFFAOYSA-N	283.299	1.775	10	20	CDCD	
CCOC(=O)[C@H](C)N1CCOc2cc(N(C)C)ccc21	130412122	AQNJKVFNQRDVDV-NSHDSACASA-N	278.352	1.903	10	20	CDCD	
CCn1cc(C(=O)NCc2ccc(N(C)C)cc2)cn1	74415444	DTSFMWAHRFUPET-UHFFFAOYSA-N	272.352	1.899	10	20	CDCD	
C[C@@H](O)CN(C)Cc1ccc(N2CCOCC2)cc1	130771816	TXLCVECVHQDLSO-CYBMUJFWSA-N	264.369	1.336	10	20	CDCD	
Cc1ccc(C(=O)N2CC[C@@H](O)C(C)(C)C2)c(O)c1O	275927166	VQNBYXHDRNXOIW-LLVKDONJSA-N	279.336	1.639	10	20	CDCD	
Cc1cc(O)c(CN2CC(=O)N(C3CC3)C2)cc1C	280483882	OEUWJUYKLBCJIW-UHFFFAOYSA-N	260.337	1.773	10	20	CDCD	
CC(C)CCNC(=O)C(=O)NCc1ccc(N(C)C)cc1	283684711	WRXCXKRYSLESNY-UHFFFAOYSA-N	291.395	1.531	10	20	CDCD	
COc1cc(O)c(CNCCC2(O)CCC2)cc1OC	284887293	FFYXIZOJZWVNDB-UHFFFAOYSA-N	281.352	1.804	10	20	CDCD	
CC[C@@H](N[C@@H](CO)CCOC)c1ccccc1O	281711811	UAZLHSFMKHKGLD-DGCLKSJQSA-N	253.342	1.830	10	20	CDCD	
CC(=O)C(=O)COC(=O)c1c(C)noc1C(C)C	808491680	MOHWRXCQQCUPKW-UHFFFAOYSA-N	253.254	1.421	10	20	CDCD	
COc1ccc(O)c(CN2CCC[C@@H](O)CC2)c1	294200589	XUUOELCLNWBMIC-GFCCVEGCSA-N	251.326	1.748	10	20	CDCD	
OC[C@]1([C@@H](NCc2ccccc2O)C2CC2)CCCO1	816667104	CMRSCMJDLWFJIT-HOTGVXAUSA-N	277.364	1.802	10	20	CDCD	
C[C@@H](NCCc1ccc(N)cc1)C(C)(C)n1cncn1	817958251	VBEMOCDZCRARPN-GFCCVEGCSA-N	273.384	1.816	10	20	CDCD	
CC[C@@H](NC[C@H]1CNCCCO1)c1ccc(F)cc1O	817982457	SPCCGDCMNMWMRR-TZMCWYRMSA-N	282.359	1.951	10	20	CDCD	
C[C@@H](NC(=O)[C@@H]1CCC[C@@H](C(N)=O)C1)c1ccccc1O	827946471	JDVDWPAFKDNPQN-IJLUTSLNSA-N	290.363	1.861	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CCCO2)c1	728981239	WDWFPWAMKIXOCS-NOZJJQNGSA-N	265.309	1.757	10	20	CDCD	
CCONC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1	822580291	UNAWPPUFBYGHLS-GFCCVEGCSA-N	293.367	1.772	10	20	CDCD	
COc1ccc(O)c(CN2C[C@H](C)[C@](C)(CO)C2)c1	827699119	FFRGTTWZIBJZOE-NHYWBVRUSA-N	265.353	1.851	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCC[C@@H](N2CCCC2=O)C1	732300932	YEHRIPDMMLSMCQ-SNVBAGLBSA-N	294.376	1.681	10	20	CDCD	
CC[C@](COC)(NCc1ccc(N(C)C)cc1)C(=O)OC	839112613	RUDVXNWRASUXIK-MRXNPFEDSA-N	294.395	1.810	10	20	CDCD	
O=C(O)CN(CCF)Cc1cc(Cl)ccc1O	833248040	JFPDNNWNJTXYKI-UHFFFAOYSA-N	261.680	1.902	10	20	CDCD	
CCN1C[C@H](NC(=O)N(C)Cc2ccccc2O)CC1=O	838678301	ZLOIKVFJGOSCPU-GFCCVEGCSA-N	291.351	1.154	10	20	CDCD	
C[C@@H]1C[C@H](C(=O)NCc2ccc(O)cc2O)CO1	910947692	JWGWMXUIEMLKKZ-SCZZXKLOSA-N	251.282	1.139	10	20	CDCD	
C[C@H]1CN(Cc2cc3c(cc2O)CCCC3)CC(=O)N1	840131767	DIRBYQOEQGJYIS-NSHDSACASA-N	274.364	1.591	10	20	CDCD	
CNC(=O)NC1CCN(Cc2cccc(C)c2O)CC1	840974874	PIVWJFSSQRWJQW-UHFFFAOYSA-N	277.368	1.594	10	20	CDCD	
CC(C)(O)CCC(=O)N(CC(=O)O)Cc1ccccc1O	911490201	YMDDYWSHBOEVBQ-UHFFFAOYSA-N	295.335	1.357	10	20	CDCD	
CNCCCC(=O)N(C)CCN(C)c1ccc(OC)cc1	846696234	CTMRSIYDPLDQKR-UHFFFAOYSA-N	293.411	1.589	10	20	CDCD	
CC(=O)c1cc(Cl)cc(CN2CCO[C@H](CN)C2)c1O	843367733	JBBWZSLCJCAZSX-GFCCVEGCSA-N	298.770	1.408	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H](C)N)c1	841990321	ZLWUEWULXQLPEI-DTWKUNHWSA-N	267.329	1.108	10	20	CDCD	
CN1CC[C@@H]1CNCc1cc([N+](=O)[O-])ccc1O	922573466	AWDNEJJOYMYPNS-LLVKDONJSA-N	251.286	1.094	10	20	CDCD	
CN1CCN(c2ccc(CN3CCCNCC3)cc2)CC1	843044858	LLXUFVFZEFZWNE-UHFFFAOYSA-N	288.439	1.234	10	20	CDCD	
Cc1cc(C(=O)N2C[C@@H](N)[C@H](C)C2)c(C)n1-c1ccccn1	842510925	UQFWJUATDVAOIL-IAQYHMDHSA-N	298.390	1.908	10	20	CDCD	
CNC(=O)[C@H]1CCC[C@H]1NC(=O)c1cc(O)cs1	766249283	IJFIRSCJCONUPE-DTWKUNHWSA-N	268.338	1.098	10	20	CDCD	
O=C(CCc1cscn1)NCc1ccc(O)c(O)c1	768915043	VODDOQQJAHVNBG-UHFFFAOYSA-N	278.333	1.803	10	20	CDCD	
COC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	773028439	ZQHPHJYWHANZHO-LEWSCRJBSA-N	290.363	1.739	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)OCC(=O)N1CCCC1	772768951	MORLCEGNPGXKGQ-GQCTYLIASA-N	291.303	1.277	10	20	CDCD	
CC[C@H](CO)C(=O)NCc1ccc(N2CCOCC2)cc1	779616260	SELMQNLWBHFPCB-CQSZACIVSA-N	292.379	1.158	10	20	CDCD	
O=C(NCc1cccc(O)c1O)C1SCCCS1	1123887844	DAGAUMVNKHLDAJ-UHFFFAOYSA-N	285.390	1.910	10	20	CDCD	
C[C@H](N[C@H](C)c1c(O)cccc1F)C(=O)N(C)C	886598566	FCWVUVGMHWTHOM-BDAKNGLRSA-N	254.305	1.659	10	20	CDCD	
CCN1CCC(CNC(=O)c2ccc(C)c(O)c2O)CC1	780909568	RIQGIGNWGHYJCY-UHFFFAOYSA-N	292.379	1.868	10	20	CDCD	
COc1ccc(CNCc2cncn2C)c(O)c1OC	894531684	LOSHJCBUVFTGHZ-UHFFFAOYSA-N	277.324	1.433	10	20	CDCD	
CCn1ccnc(N(C)Cc2ccccc2O)c1=O	91015570	FERLBBBSSJEMCG-UHFFFAOYSA-N	259.309	1.605	10	20	CDCD	
CC(C)OC(=O)CNC(=O)[C@@H](C)Sc1nccs1	894172028	OWRKVWINNVFTTQ-MRVPVSSYSA-N	288.394	1.692	10	20	CDCD	
O=C1OCC[C@@]12CCCN2Cc1cc(F)cc(F)c1O	894496888	GXRYMVJKCZKNME-AWEZNQCLSA-N	283.274	1.952	10	20	CDCD	
OC[C@@H](O)CNCc1cc(Cl)cc(Cl)c1O	83483186	QEGVEFPNVHFCHF-QMMMGPOBSA-N	266.124	1.142	10	20	CDCD	
C[C@H](OC(=O)c1cc(O)cs1)c1nnnn1C1CC1	791383912	ZIWBHLTTXNFZJP-LURJTMIESA-N	280.309	1.693	10	20	CDCD	
CC(C)C[C@@H](N)C(=O)N[C@H](C)c1ccccc1O	870988588	UEVWDSFQUIPSFY-ZYHUDNBSSA-N	250.342	1.943	10	20	CDCD	
C[C@@H](CCO)CNCc1ccc(N2CCOCC2)cc1	97439820	GLUKKPGDARKFNJ-AWEZNQCLSA-N	278.396	1.631	10	20	CDCD	
CC[C@@H](C)CCNC(=O)C(=O)N(C)Cc1ccccc1O	1327793575	TUTHJFCSMJSGLA-GFCCVEGCSA-N	292.379	1.903	10	20	CDCD	
Nc1ccc(CN2CCC(C3OCCO3)CC2)cc1	1334775293	VGXULUUHGSWRIR-UHFFFAOYSA-N	262.353	1.854	10	20	CDCD	
C[C@H]1CN(C(=O)C(=O)N(C)Cc2ccccc2O)C[C@@H]1C	1330995391	BGOSYKPILOQRIA-RYUDHWBXSA-N	290.363	1.465	10	20	CDCD	
COc1ccc(CNCCCN2CCCC2)c(O)c1OC	1335484648	ZJMNSFGVPUTGIN-UHFFFAOYSA-N	294.395	1.985	10	20	CDCD	
CO[C@@H]1CCC[C@@H]1C(=O)NCc1ccc(O)cc1O	1262628765	GDHDQAOFPCURGS-WCQYABFASA-N	265.309	1.529	10	20	CDCD	
Nc1ccc(CNC(=O)[C@H](N)C2CCCCC2)cc1	1356238915	MGTYWCNCSKCDAO-CQSZACIVSA-N	261.369	1.793	10	20	CDCD	
COc1ccc(CNC[C@@]2(O)CCO[C@H]2C)cc1C	227974375	OOONTUDXISDCTJ-WFASDCNBSA-N	265.353	1.633	10	20	CDCD	
N[C@H]1Cc2ccccc2N(C(=O)/C=C\c2cncc(O)c2)C1	1580207535	VPAZNFROTHOIQZ-GXMNPTEKSA-N	295.342	1.717	10	20	CDCD	
CO[C@]1(CN[C@H](C)c2cc(F)ccc2O)CCOC1	123189000	GOKXDYXFVMDGFI-YGRLFVJLSA-N	269.316	1.987	10	20	CDCD	
COC[C@@](C)(CC(=O)O)NCc1cc([N+](=O)[O-])ccc1O	1777178077	SOHHPOAPLOMCJX-CYBMUJFWSA-N	298.295	1.270	10	20	CDCD	
CCOCCOCCNCc1cc2c(cc1O)OCO2	922942380	WXLRWJSFZIDKDI-UHFFFAOYSA-N	283.324	1.264	10	20	CDCD	
Oc1c(Cl)cccc1CNC[C@@H]1CN2CCC[C@@H]2CO1	158135472	FONGDJPMYXISOB-CHWSQXEVSA-N	296.798	1.998	10	20	CDCD	
COc1ccc(S(=O)(=O)NCc2ccccc2O)cc1	158574582	BNPFFPVBAWWECH-UHFFFAOYSA-N	293.344	1.879	10	20	CDCD	
COc1cccc(CN2CC[C@@]3(CCNC3)C2)c1O	388741334	AJCHACQFCXWMED-OAHLLOKOSA-N	262.353	1.586	10	20	CDCD	
Cc1nnc(CN[C@@H](C)c2ccc(F)cc2O)n1C	393157185	RQUDNSBAOAPALL-QMMMGPOBSA-N	264.304	1.819	10	20	CDCD	
CN(C)c1ccc(CN[C@H](CO)C[C@@H]2CCCO2)cc1	886231912	NEPJTBPZMCSOHH-HOCLYGCPSA-N	278.396	1.772	10	20	CDCD	
CNC(=O)C1(C(=O)NCc2ccc(N(C)C)c(F)c2)CC1	106019982	JUOQJYZCHWCRFA-UHFFFAOYSA-N	293.342	1.034	10	20	CDCD	
COC(=O)[C@H]1C[C@H](O)CN1Cc1cc(Cl)ccc1O	188612065	UOECOFYSRYGQQA-WDEREUQCSA-N	285.727	1.154	10	20	CDCD	
Cc1ccc(C(=O)N(C)CC[C@@H](C)O)c(O)c1O	182549615	HZOIIIOFHATLIB-SECBINFHSA-N	253.298	1.249	10	20	CDCD	
C[C@H](NCCOCCO)c1ccc(F)c(F)c1O	191186797	XZHLYJWKPZMHMX-QMMMGPOBSA-N	261.268	1.330	10	20	CDCD	
C[C@@]1(C(N)=O)CCN(Cc2cc(Cl)ccc2O)C1	235437002	KBCZLPMPKXCBGL-CYBMUJFWSA-N	268.744	1.743	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2N)cc1	250350783	JHDKVKDUWWZHCA-WMHQRMGPSA-N	287.407	1.742	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNC[C@@H]2CC[C@H](O)C2)c1O	278126462	BPAOHCPWFLGTKT-KOLCDFICSA-N	296.323	1.560	10	20	CDCD	
CCCOc1ccc(CN2CC[C@H](NC(N)=O)C2)c(O)c1	271395375	USGXIQQEMQVBPJ-LBPRGKRZSA-N	293.367	1.424	10	20	CDCD	
C[C@@H]1CN(C(=O)c2c(F)ccc(O)c2O)CC(C)(C)O1	276639209	URJOIUOTQLHUAQ-MRVPVSSYSA-N	283.299	1.876	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@H](C)CCO)c1	273609660	VLZCGQHXAYBXJI-ZJUUUORDSA-N	267.325	1.600	10	20	CDCD	
C[C@H](NCCNC(=O)C1CC1)c1cc([N+](=O)[O-])ccc1O	273300241	BEFFWTWQRRNYCG-VIFPVBQESA-N	293.323	1.477	10	20	CDCD	
O=C(O)c1cnc(SCC(=O)N2CCCC2)s1	379905701	IZPGBJSTCOVHBV-UHFFFAOYSA-N	272.351	1.556	10	20	CDCD	
CC[C@H](N[C@@H](C)C(=O)NC)c1ccc(F)cc1O	291892108	KQVXGEKNPPGVQR-KWQFWETISA-N	254.305	1.707	10	20	CDCD	
Cc1cc(CN2CCCN(C(N)=O)CC2)ccc1N(C)C	293021382	IGECDSPLOVXRIC-UHFFFAOYSA-N	290.411	1.647	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2cc(F)c[nH]2)c1	815835567	XUYCUGMXWWFGCW-UHFFFAOYSA-N	264.256	1.798	10	20	CDCD	
Cc1cc(=O)c(C(=O)N[C@H](C)c2ccccc2O)cn1C	827946565	MEIDLNZPNWEUND-LLVKDONJSA-N	286.331	1.890	10	20	CDCD	
CN(CC(=O)O)Cc1ccc(N2CCOCC2)c(F)c1	820568739	BRVMXCBYSVBIIT-UHFFFAOYSA-N	282.315	1.179	10	20	CDCD	
COCCOC1CN(Cc2cc(F)ccc2O)C1	838986723	KDCYLLXVISRKRK-UHFFFAOYSA-N	255.289	1.379	10	20	CDCD	
O=C(O)CSCCNC(=O)NCc1ccccc1O	739861118	QTNVLFGFMWLKOF-UHFFFAOYSA-N	284.337	1.009	10	20	CDCD	
CN1C(=O)CC[C@@H]1CC(=O)NCc1ccccc1O	830526514	MQRQHTWCOMDSAN-LLVKDONJSA-N	262.309	1.019	10	20	CDCD	
CC1=C(C(=O)O)C[C@@H](CN(C)Cc2ccccc2O)O1	833585793	YRXFQYQJCIYMHG-LBPRGKRZSA-N	277.320	1.972	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)c1ccc(NC2CC2)nc1	910951406	IIDSRJKXZQMHPE-UHFFFAOYSA-N	299.330	1.997	10	20	CDCD	
NC(=O)c1ccc(C(=O)NCc2ccccc2O)o1	747419037	PQOCFPHEJDXSEV-UHFFFAOYSA-N	260.249	1.014	10	20	CDCD	
CCS(=O)(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C	841571665	ZWVYDFKELYZPEY-GFCCVEGCSA-N	284.425	1.931	10	20	CDCD	
C[C@H](NC(=O)[C@]1(O)CCOC1)c1ccc(N(C)C)cc1	840425116	ILYZMFYYHNBXDE-NHYWBVRUSA-N	278.352	1.081	10	20	CDCD	
C[C@@]1(c2nc(Cc3ccc(N)cc3)no2)CCOC1	843159241	NLBBDCVZUNOMFD-CQSZACIVSA-N	259.309	1.921	10	20	CDCD	
COc1cc(O)c(CN2CCC(CCN)CC2)cc1OC	844911562	OWGYGHRNLGNQPQ-UHFFFAOYSA-N	294.395	1.970	10	20	CDCD	
COc1cccc(CNC(=O)N[C@@H]2CCC[C@H](N)C2)c1O	841980877	IZDATKLQQGGWLX-NWDGAFQWSA-N	293.367	1.470	10	20	CDCD	
C[C@@H]1CC(=O)CC[C@@H]1C(=O)NCc1ccc(O)cc1O	910950649	ZIRYIDFFGBSEMG-RNCFNFMXSA-N	277.320	1.719	10	20	CDCD	
CC[C@@H](C(=O)N(CC(=O)O)Cc1ccccc1O)N(C)C	911487302	COOPIEPXODPRBE-LBPRGKRZSA-N	294.351	1.146	10	20	CDCD	
CC(C)(O)[C@@H]1CCCN1C(=O)NCCc1ccc(N)cc1	841956509	BQPFXFQRCVEBPD-AWEZNQCLSA-N	291.395	1.756	10	20	CDCD	
COc1ccc(O)c(CN2CCNC[C@@H]2c2ccncc2)c1	843120760	UDONERNWTGCATF-MRXNPFEDSA-N	299.374	1.942	10	20	CDCD	
O=[N+]([O-])c1ccc(O)c(CN[C@@H](CO)CCF)c1	846097067	MUIIELYOBAOVBJ-SECBINFHSA-N	258.249	1.111	10	20	CDCD	
CCCN1CC(=O)N[C@@H]1c1cc(Cl)cc(OC)c1O	840825702	ZRNZJMYNTIXXGM-ZDUSSCGKSA-N	284.743	1.895	10	20	CDCD	
CN(C)c1ccc([C@H](N)CNC(=O)C(C)(F)F)cc1	852792100	RSLOJJVCKYHEQA-LLVKDONJSA-N	271.311	1.524	10	20	CDCD	
CN(C)CC1CN(C(=O)/C=C/c2ccc(O)c(O)c2)C1	854725067	YMLICWPONJCYAF-GQCTYLIASA-N	276.336	1.131	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@@H]2CCc3c[nH]nc3C2)c1	862759724	HMZGSYYNRKCGBA-LLVKDONJSA-N	285.347	1.845	10	20	CDCD	
C[C@@H]1C[C@H](N[C@@H]2COCC[C@H]2O)c2c(O)ccc(F)c21	866498577	ZWPFGXVJYKYULQ-SASUGWTJSA-N	281.327	1.819	10	20	CDCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2NCCN1CC[C@H](O)C1	1118866560	ZKTYLNVPKDJFLH-IHRRRGAJSA-N	290.407	1.905	10	20	CDCD	
CCN(C)c1ccc(CN(CCOC)[C@H](C)C(N)=O)cc1	773756452	LNSGMYICKKYMMU-CYBMUJFWSA-N	293.411	1.465	10	20	CDCD	
C[C@@H](NC(=O)c1cn(C)cn1)c1ccc(N(C)C)cc1	773023761	KENJJBRMULSNJE-LLVKDONJSA-N	272.352	1.977	10	20	CDCD	
OCC1(NCc2cc(Cl)cc(F)c2O)CCOCC1	776175096	HEVFAHKVLZYGGJ-UHFFFAOYSA-N	289.734	1.816	10	20	CDCD	
C[C@@H](C(=O)N[C@H](C)c1ccc(N(C)C)cc1)N(C)C	775402381	DXJPZPDBNMRJFK-NEPJUHHUSA-N	263.385	1.880	10	20	CDCD	
C[C@@H](N[C@H](C)c1ccc(F)cc1O)C(=O)N(C)C	62745933	HXWFWYVFNGHKTM-RKDXNWHRSA-N	254.305	1.659	10	20	CDCD	
COC(=O)[C@@H](NC(=O)c1cc(O)cs1)C1CCOCC1	881765072	SRBQZEPILATRQK-NSHDSACASA-N	299.348	1.152	10	20	CDCD	
CC[C@H](CO)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	779846549	UZULUIAMSNFPIZ-VXGBXAGGSA-N	264.369	1.948	10	20	CDCD	
COc1cc(C)cc(CN[C@H]2C[C@H](OC)C2)c1O	895414459	MWFCLNOOIJIZGC-HAQNSBGRSA-N	251.326	1.976	10	20	CDCD	
COc1cccc(CN2[C@H](C)C(=O)N[C@H](C)[C@H]2C)c1O	895115294	OWMGVIRRXIAXNY-GMTAPVOTSA-N	278.352	1.498	10	20	CDCD	
COc1ccc(CN2C[C@H]3[C@@H](O)CC[C@H]3C2)c(O)c1OC	896045019	AXYAGKORJPEDHB-UHTWSYAYSA-N	293.363	1.612	10	20	CDCD	
CN1CCCc2cc(CNC(=O)CCCN)ccc21	166478460	RIOKJDVEEIUVHC-UHFFFAOYSA-N	261.369	1.424	10	20	CDCD	
COc1ccc(CNC(=O)N=c2cc[nH]cc2C)c(O)c1	797639058	FGHLORPCBNXJMU-UHFFFAOYSA-N	287.319	1.848	10	20	CDCD	
CCN(Cc1cc(Cl)cc(F)c1O)[C@H]1CCNC1=O	799737720	LVMYCAKKEGWRDS-NSHDSACASA-N	286.734	1.895	10	20	CDCD	
CC[C@@H](C(=O)NCc1cc(OC)ccc1O)C(=O)OC	790788127	RFRZEBVGISJAMK-NSHDSACASA-N	281.308	1.216	10	20	CDCD	
C[C@@H](CNCc1c(O)cccc1Cl)S(C)(=O)=O	697641011	ILXDTWLITSMISL-QMMMGPOBSA-N	277.773	1.568	10	20	CDCD	
Nc1ccc(CN2CCC([C@@H]3C[C@H](N)CCO3)CC2)cc1	1334775310	VNFDWAXMAYQJFQ-SJORKVTESA-N	289.423	1.987	10	20	CDCD	
CCONC(=O)CNCc1ccc(N2CCCC2)cc1	1261514327	YVRZSQOECLLQAI-UHFFFAOYSA-N	277.368	1.444	10	20	CDCD	
CCc1ncoc1C(=O)NCCc1ccc(N)cc1	1341351399	AVKSQUYTNDJAFV-UHFFFAOYSA-N	259.309	1.792	10	20	CDCD	
CN(Cc1cc2c(cc1O)OCO2)C[C@@H]1CCCOC1	107670226	OMTSQWLGCPSPBU-NSHDSACASA-N	279.336	1.979	10	20	CDCD	
C[C@H](N[C@H]1CCCNC1)c1cc(C(=O)O)ccc1O	1604356785	DBKPRDPVMJEFAI-ONGXEEELSA-N	264.325	1.493	10	20	CDCD	
O=C(O)C1CC2(CC[C@@H](CNCc3ccccc3O)O2)C1	1605987549	KKUJHWUKWPMMBE-UYJPIKCFSA-N	291.347	1.894	10	20	CDCD	
CN(C[C@@H]1CCC(=O)O1)c1ccc(OCC(=O)O)cc1	1598453497	MKKJEFQAZDBUSJ-LBPRGKRZSA-N	279.292	1.292	10	20	CDCD	
COc1ccc(CN2CC[C@@H](C(=O)O)C2)c(O)c1OC	1599563729	PEQQGNTVGJKRKW-SNVBAGLBSA-N	281.308	1.316	10	20	CDCD	
Cc1cc(C(=O)N2CC(O)C2)c(C)n1-c1ccccn1	156299939	TWMLFZPDJZFABI-UHFFFAOYSA-N	271.320	1.306	10	20	CDCD	
CN(C)C(=O)[C@@H]1CCN(Cc2cccc(Cl)c2O)C1	840957125	FKWSOHPZPIEZPF-LLVKDONJSA-N	282.771	1.956	10	20	CDCD	
CO[C@H]1CN[C@](C)(C(=O)N(C)Cc2ccccc2O)C1	701594177	WRPAOJMBSDSONI-DOMZBBRYSA-N	278.352	1.118	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)C1CCOCC1	173201153	XLXAEJSXASEOQZ-UHFFFAOYSA-N	290.363	1.905	10	20	CDCD	
COCCCOCCC(=O)Nc1ccc(N)cc1	37746868	QXQCHFMYCKSADK-UHFFFAOYSA-N	252.314	1.651	10	20	CDCD	
COc1ccc(CN[C@H]2CCS(=O)(=O)C2)cc1C	35052739	OSUUMWDAUDEBSS-LBPRGKRZSA-N	269.366	1.280	10	20	CDCD	
CN(C)c1ccc(CN(C)[C@@H]2CCCCNC2=O)cc1	360306288	WBLHYDRINGPOBO-OAHLLOKOSA-N	275.396	1.853	10	20	CDCD	
O=C(O)[C@@H]1CCCCN1Cc1cc(F)ccc1O	236433073	UJUSWQDONROWQL-NSHDSACASA-N	253.273	1.970	10	20	CDCD	
CN(C)[C@@H]1CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1	180744156	OGFZDIDLVJVSQH-STMXVASLSA-N	290.363	1.664	10	20	CDCD	
COC(=O)[C@@H](C)N[C@H](C)c1cc(OC)ccc1O	42304251	UWMPCXGOQCUURT-RKDXNWHRSA-N	253.298	1.613	10	20	CDCD	
Cc1ccc(O)c(CNC[C@@]2(O)CCO[C@H]2C)c1	227965288	JYZSUHVGTPFEIC-FZMZJTMJSA-N	251.326	1.330	10	20	CDCD	
Oc1ccc(F)cc1CN1CCOC2(CCOCC2)C1	180259097	GRGJFSZYVCZWMW-UHFFFAOYSA-N	281.327	1.913	10	20	CDCD	
CC[C@@H](NC[C@@H]1COCCN1)c1ccc(F)cc1O	530221129	CVQBLSZVJAMUGW-DGCLKSJQSA-N	268.332	1.560	10	20	CDCD	
COc1cccc(CNC(=O)CCc2cnccn2)c1O	279736721	DDQBGDNLUMIYTR-UHFFFAOYSA-N	287.319	1.440	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)[C@H]1CCCC(=O)N1	270412987	RVGLZZBRJQSVOP-CYBMUJFWSA-N	290.363	1.800	10	20	CDCD	
CCN(CCS(C)(=O)=O)Cc1ccc(N(C)C)c(C)c1	293748381	ILBLIGGTAULALF-UHFFFAOYSA-N	298.452	1.928	10	20	CDCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)c1nc[nH]n1	807838559	XBZVGHCHJJOIGW-UHFFFAOYSA-N	287.106	1.747	10	20	CDCD	
COc1ccc(CNC(=O)[C@@H](F)C(F)(F)F)c(O)c1	811484590	CRIBSDUYZQTRMM-SECBINFHSA-N	281.205	1.917	10	20	CDCD	
C[C@H](NCCN1CCNCC1)c1cc(F)ccc1O	817944400	AZAZJPPVJFBEFB-NSHDSACASA-N	267.348	1.087	10	20	CDCD	
Cc1cc(CN2CC[C@H](CC(N)=O)C2)ccc1N(C)C	815119843	HVXXGMPWYZZWTJ-CQSZACIVSA-N	275.396	1.758	10	20	CDCD	
C[C@H](NCCN)c1ccc(N2CCOCC2)c(F)c1	817934633	LXHXSOVEYFGQFP-NSHDSACASA-N	267.348	1.272	10	20	CDCD	
Cc1nc(SCC(=O)N[C@H](C)c2ccccc2O)n[nH]1	827936892	FOAYBHCOCQMFKF-MRVPVSSYSA-N	292.364	1.788	10	20	CDCD	
CCc1cc(CNC(=O)Cc2ccc(N)cc2)n[nH]1	829495118	DYKDQXXFAQUBGH-UHFFFAOYSA-N	258.325	1.413	10	20	CDCD	
C[C@@H]1CN(c2ccc(/C=C\C(=O)O)cc2[N+](=O)[O-])C[C@H]1O	833635577	VZLMEUHQTNXPNA-GSDDBDPOSA-N	292.291	1.510	10	20	CDCD	
C[C@@H](NC(=O)[C@H]1CCCN1C=O)c1ccc(N(C)C)cc1	832431805	VFUSRBBRKCTSJD-IUODEOHRSA-N	289.379	1.551	10	20	CDCD	
O=C(O)C[C@@H](NC(=O)c1cc(O)cs1)C1CC1	833198942	MYMYWPKOEWAHAC-MRVPVSSYSA-N	255.295	1.437	10	20	CDCD	
C[C@H]1CCN(C(=O)NCCc2ccc(N)cc2)C[C@@H]1CN	841956131	WFSOBLHSAMTRDU-JSGCOSHPSA-N	290.411	1.438	10	20	CDCD	
CCOc1ccc(O)c(CN2CC[C@H]3NCC[C@H]3C2)c1	843127818	TXVPBGCZLMFSBW-SWLSCSKDSA-N	276.380	1.975	10	20	CDCD	
CCOc1ccc(O)c(CN2CCO[C@H](CF)C2)c1	840954985	OSFRTKLGZMHONU-CYBMUJFWSA-N	269.316	1.961	10	20	CDCD	
CC(C)[C@H](O)COC(=O)/C=C\c1ccc(O)c(O)c1	849745820	ZNDNBFVUVHOHMA-RYWCDNDXSA-N	266.293	1.671	10	20	CDCD	
CCOc1ccc(CN2C[C@@H](C)NC[C@@H]2C)c(O)c1	843119938	PIWLZBFBCCSSBN-NEPJUHHUSA-N	264.369	1.973	10	20	CDCD	
CO[C@](C)(CNC(=O)NCCc1ccc(N)cc1)C1CC1	841910434	HGGKOFWGNWZPON-MRXNPFEDSA-N	291.395	1.926	10	20	CDCD	
C[C@@H](N)[C@@H]1CCCCN1C(=O)NCCc1ccc(N)cc1	841955607	HYNVIMLIVJIVJE-DOMZBBRYSA-N	290.411	1.723	10	20	CDCD	
NC1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2O)CC1	843047116	HKKOVYUARFGWCU-UHFFFAOYSA-N	285.731	1.877	10	20	CDCD	
CCc1cccc(CNCc2cc(C(N)=O)no2)c1O	848903082	XWLNFTRAIRTLHL-UHFFFAOYSA-N	275.308	1.331	10	20	CDCD	
COc1ccc(CNC(=O)NC[C@@H](C)OC)c(O)c1	852536470	UZACZNIAQBFQBY-SECBINFHSA-N	268.313	1.235	10	20	CDCD	
COCCOCC(=O)N[C@H](C)c1ccccc1O	827936925	GVHRGSCCBOKRKV-SNVBAGLBSA-N	253.298	1.232	10	20	CDCD	
CCn1ccc(CNC(=O)NCc2cc(C)ccc2O)n1	858536165	HNRIBLPLHQQOAU-UHFFFAOYSA-N	288.351	1.916	10	20	CDCD	
CCN1C[C@H](NC(=O)NCc2cc(C)ccc2O)CC1=O	858515940	CIZRGZAODQYOPY-GFCCVEGCSA-N	291.351	1.121	10	20	CDCD	
O=C1NC2(CCN(Cc3cc(F)ccc3O)CC2)CO1	753586122	BFRJTUINBONSFO-UHFFFAOYSA-N	280.299	1.606	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cnnn1CC	935945851	NFPGIABRSVIBOR-UHFFFAOYSA-N	295.339	1.419	10	20	CDCD	
CN(C)c1ccc(CN2C(=O)[C@@H]3CSCN3C2=O)cc1	777557358	GYYLLUWDRXCLSY-LBPRGKRZSA-N	291.376	1.590	10	20	CDCD	
Nc1ccc(CC(=O)NC[C@@H]2Cc3ccccc3CN2)cc1	877347771	QOYQIQDSUSVGCF-KRWDZBQOSA-N	295.386	1.642	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H](C)C[C@H](C)O)c1O	775055080	PMNTXJKIEVSFPH-IUCAKERBSA-N	284.312	1.558	10	20	CDCD	
C[C@@]1(C(=O)NCc2cccc(O)c2O)CCCCO1	1123977661	KXHKLIWGYGGEPB-AWEZNQCLSA-N	265.309	1.673	10	20	CDCD	
NC(=O)C[C@@H]1CCCN(Cc2cc(F)cc(F)c2O)C1	894077130	XPNPTSAVSFZZLS-VIFPVBQESA-N	284.306	1.758	10	20	CDCD	
Cc1ccc(C(=O)NC[C@@](C)(O)C2CC2)c(O)c1O	780955751	FSNBRBLSISZYEC-CQSZACIVSA-N	265.309	1.297	10	20	CDCD	
COC(=O)[C@@H]1COCCN1Cc1cc(F)cc(F)c1O	894021331	UUDBSQQNCZWKSW-NSHDSACASA-N	287.262	1.044	10	20	CDCD	
CCn1ncnc1CNCc1ccc(N(C)C)c(F)c1	793346373	MRWVXODJDOLADR-UHFFFAOYSA-N	277.347	1.793	10	20	CDCD	
O=C1CN(Cc2ccccc2)[C@H](c2cc(O)ccc2O)N1	1318542030	PFBMNELCYBRBBQ-MRXNPFEDSA-N	284.315	1.728	10	20	CDCD	
Cc1cc(CN2CCN(Cc3ccc(N)cc3)CC2)on1	1335286422	ZKPFAFPUUQJXPB-UHFFFAOYSA-N	286.379	1.883	10	20	CDCD	
Nc1ccc(CN2CCN(C[C@@H]3CCCO3)CC2)cc1	1334753189	BBLLOMGFCJKYHZ-INIZCTEOSA-N	275.396	1.565	10	20	CDCD	
COc1ccc(CNCC2(C)OCCO2)c(O)c1OC	1336748842	ZEWJAGKINAFFRE-UHFFFAOYSA-N	283.324	1.262	10	20	CDCD	
COc1ccc(N(C)CCN(C)C(=O)[C@H]2C[C@@H]2F)cc1	1338213038	FJYIUTNMBSTUOY-KBPBESRZSA-N	280.343	1.948	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](CN)OC	227364687	QVYHDIWJIPUKIR-AWEZNQCLSA-N	279.384	1.075	10	20	CDCD	
CCN1CCc2cc(CNC3(C(=O)O)CC3)ccc21	1776877390	AXBMXOZVDIYXLX-UHFFFAOYSA-N	260.337	1.776	10	20	CDCD	
C=Cn1cc(CNCc2ccc(C(=O)O)cc2O)cn1	1776193276	FFYWRLNEIPMGLV-UHFFFAOYSA-N	273.292	1.677	10	20	CDCD	
CCCC[C@H](NCc1ccc2c(c1)CCO2)[C@H](O)C(=O)O	1776774892	RQHBLYLHZUSXAM-ZFWWWQNUSA-N	293.363	1.715	10	20	CDCD	
CSC[C@@H](C)C(=O)NCc1ccc(O)c(O)c1	159099947	STNQIKZAHZBZBG-MRVPVSSYSA-N	255.339	1.713	10	20	CDCD	
COc1ccc(CNC[C@@H]2COCCN2)cc1C	258809696	BKPDBLQNPJFHKS-CYBMUJFWSA-N	250.342	1.082	10	20	CDCD	
Cc1nc(CCNCc2c(O)cccc2Cl)n[nH]1	272364172	CHVZGQXGVQSSQH-UHFFFAOYSA-N	266.732	1.804	10	20	CDCD	
Oc1cc2c(cc1CNCCN1CCCC1)OCO2	42879447	JITGCWHUXNNBOH-UHFFFAOYSA-N	264.325	1.306	10	20	CDCD	
CCNCC(=O)N(CC)Cc1ccc(N(C)C)cc1	44650119	JJEVWBLNWGNQPB-UHFFFAOYSA-N	263.385	1.711	10	20	CDCD	
C[C@@H](NC[C@]1(O)CCSC1)c1ccccc1O	183543289	ALIGPDPJCLREIP-ZWNOBZJWSA-N	253.367	1.911	10	20	CDCD	
COc1ccc(O)c(CN2CCC[C@@H]([C@H](C)N)C2)c1	70171743	FXMVBDOIIDMCQB-NWDGAFQWSA-N	264.369	1.960	10	20	CDCD	
Oc1cc(Br)ccc1CN[C@@H]1CC[C@H]1O	1355292850	UWEYYTSCSDRXQF-NXEZZACHSA-N	272.142	1.768	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NC[C@H]2CCOC2)cc1F	58573104	RYVNNLFJWUTNLX-GFCCVEGCSA-N	295.358	1.727	10	20	CDCD	
C[C@H](O)CNC(=O)NCc1ccc(N(C)C)c(F)c1	57646613	NMCFUHCOZVQRJH-VIFPVBQESA-N	269.320	1.072	10	20	CDCD	
CN(C)CC(=O)NCc1ccc(N2CCSCC2)cc1	171383586	XFAHTPSIYDFQNT-UHFFFAOYSA-N	293.436	1.418	10	20	CDCD	
CCn1nc(C(=O)N(C)Cc2ccccc2O)ccc1=O	111569987	PLKPNINJSJNNRR-UHFFFAOYSA-N	287.319	1.241	10	20	CDCD	
COCC[C@@](C)(O)CNCc1cc([N+](=O)[O-])ccc1O	172072142	BDQLWRCLPKBLBS-CYBMUJFWSA-N	284.312	1.178	10	20	CDCD	
COCCN(C)CCN[C@H](C)c1ccccc1O	61375654	IWYKDWUTUYAOCU-GFCCVEGCSA-N	252.358	1.621	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CCn2ccnc2)cc1	72905212	VNLFPRFWXNHNTB-UHFFFAOYSA-N	272.352	1.656	10	20	CDCD	
CCN(C(=O)c1cccc(O)c1O)C(C)(C)C(=O)O	126018828	OQMOUMFSNDIWNM-UHFFFAOYSA-N	267.281	1.423	10	20	CDCD	
Cc1ccc(O)c(CN2CC[C@@H](CS(C)(=O)=O)C2)c1	366487665	GMLZULUWIJODOC-GFCCVEGCSA-N	283.393	1.567	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)c1ncccc1O	122740991	MCHKMCFUJBSIKT-UHFFFAOYSA-N	274.276	1.171	10	20	CDCD	
CS(=O)(=O)CCN(Cc1ccc(N)cc1)C1CC1	37744027	OLPCLXLPPZPYIB-UHFFFAOYSA-N	268.382	1.278	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC[C@@H](O)Cn2cccn2)c1	182447125	LAZHNNWFVCVNIV-NWDGAFQWSA-N	291.351	1.309	10	20	CDCD	
C[C@](O)(CNC(=O)c1cccc(O)c1O)c1ccco1	185770713	XBUHZVXDRHKWBL-AWEZNQCLSA-N	277.276	1.328	10	20	CDCD	
OCc1cccc(CNCc2cc3c(cc2O)OCO3)c1	222111180	BGZBZBLLWDARGH-UHFFFAOYSA-N	287.315	1.903	10	20	CDCD	
CC(C)(C)N1C[C@H](NC(=O)Cc2ccc(N)cc2)CC1=O	236642204	ISDMIWLSSUGBSM-CYBMUJFWSA-N	289.379	1.327	10	20	CDCD	
COCCN(Cc1ccc(N(C)C)cc1)[C@H](C)C(N)=O	93136964	CGOWHAIMFBTUIJ-GFCCVEGCSA-N	279.384	1.075	10	20	CDCD	
CC[C@H](NC[C@@H]1COCCN1)c1ccc(F)cc1O	530221131	CVQBLSZVJAMUGW-YPMHNXCESA-N	268.332	1.560	10	20	CDCD	
C[C@@H](CCCO)NC(=O)/C=C/c1ccc(O)c(O)c1	272526845	WMNSJYWCFLKOEE-STUBTGCMSA-N	265.309	1.388	10	20	CDCD	
CC1CCN(c2ccc(CN3C(=O)CNC3=O)cc2)CC1	272364724	HBLAGIKLGPKYAB-UHFFFAOYSA-N	287.363	1.975	10	20	CDCD	
CCOC[C@H](O)CN(C)c1ccc2c(c1)OCO2	270345227	OPYOFQLLRCVNTK-LLVKDONJSA-N	253.298	1.249	10	20	CDCD	
C[C@H](N[C@@H](CO)c1cnn(C)c1)c1ccc(F)cc1O	273521562	UMVCCAOIWDRUNS-ZANVPECISA-N	279.315	1.649	10	20	CDCD	
COc1cccc(CN(C)C[C@H]2CCC[C@H]2O)c1O	271277870	OUUSADQMXYOIEU-DGCLKSJQSA-N	265.353	1.994	10	20	CDCD	
Cn1ncc2c1CCC[C@H]2NC(=O)c1cccc(O)c1O	279443214	DAIMIJXURSDJDX-LLVKDONJSA-N	287.319	1.639	10	20	CDCD	
C[C@H](N[C@H](CO)c1cnn(C)c1)c1cc(F)ccc1O	273526916	VKPHFRXHCYTQDC-TVQRCGJNSA-N	279.315	1.649	10	20	CDCD	
CC[C@@H]1CN(C(=O)c2cccc(O)c2O)C[C@@H](C)[S@@]1=O	287211154	IITIWSCIFICKPH-ZLMDCXFVSA-N	297.376	1.469	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@@H](N)C1CCOCC1	282270976	IBWJPBWXCICEOA-AWEZNQCLSA-N	278.352	1.105	10	20	CDCD	
Cc1ccc(O)c([C@H](C)NC[C@@H](CO)[C@@H]2CCOC2)c1	280893295	PGKXLPRXMPMOJI-MJBXVCDLSA-N	279.380	1.996	10	20	CDCD	
O=C(NCc1nc(C2CC2)n[nH]1)c1cccc(O)c1O	295451049	OOFXXARCCLYBFI-UHFFFAOYSA-N	274.280	1.023	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)OCCCCCO	803400985	NGSMRTMDGCQAHR-ALCCZGGFSA-N	266.293	1.817	10	20	CDCD	
C[C@H](CC(=O)NCc1ccccc1O)n1cccn1	819397575	KIXCJOFOEMIYBP-LLVKDONJSA-N	259.309	1.856	10	20	CDCD	
COc1ccncc1CNCc1cc([N+](=O)[O-])ccc1O	814298312	GZXXZLCODMBMPL-UHFFFAOYSA-N	289.291	1.994	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)c1cnn2c1OCCC2	815836121	QTPBVLSTVQJHEG-UHFFFAOYSA-N	289.291	1.007	10	20	CDCD	
C[C@@H](NC(=O)CCc1cnccn1)c1ccccc1O	827946267	BZIGFRZWCHYPSG-LLVKDONJSA-N	271.320	1.992	10	20	CDCD	
O=C(C[C@H]1CC(=O)N1)NCc1ccc(N2CCCC2)cc1	821843530	SXQHDZDYMHBIQB-ZDUSSCGKSA-N	287.363	1.182	10	20	CDCD	
CN(C)c1ccc([C@H](CNCC2(C)COC2)N(C)C)cc1	902723551	KJXYWMPSESHHMK-INIZCTEOSA-N	291.439	1.981	10	20	CDCD	
CN(C)c1ccc(CN2CCOC[C@@H]2CC(=O)O)cc1F	902002478	QLAQPTNQPYLHQM-LBPRGKRZSA-N	296.342	1.567	10	20	CDCD	
CC[C@@H]1COCCN1C(=O)/C=C\c1ccc(O)c(O)c1	588408021	VHXJSCZQVASYQO-TXNVCOODSA-N	277.320	1.748	10	20	CDCD	
CN1CCCc2cc(CNC(=O)[C@@H]3C[C@@H]3C(=O)O)ccc21	737519610	ZJJLYFVDZVUEIO-OLZOCXBDSA-N	288.347	1.406	10	20	CDCD	
COCC1(O)CN(Cc2cc(Cl)ccc2O)C1	839142959	MAOKVFWDQBLPAI-UHFFFAOYSA-N	257.717	1.239	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)NC[C@H]1CCCC[C@@H]1O	836967405	PJBYCXMRYJUQJN-UWNIJABGSA-N	291.347	1.778	10	20	CDCD	
Cc1cccc(CN[C@H]2C[C@@H]3CCCCN3C2=O)c1O	835072668	HWMHUQKOBNGCQU-KBPBESRZSA-N	274.364	1.944	10	20	CDCD	
Cc1ccc(O)c(CN[C@H]2C[C@@H]3CCCCN3C2=O)c1	835071940	AGLJCRDYRVIQOQ-KBPBESRZSA-N	274.364	1.944	10	20	CDCD	
C[C@H](NC1CC1)C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1	841845942	ICNRNCIAECBHRM-XHDPSFHLSA-N	290.411	1.009	10	20	CDCD	
COC(=O)[C@@H](C)N(C)CCN(C)c1ccc(OC)cc1	844399434	JCGCMWGOTHFXPO-GFCCVEGCSA-N	280.368	1.625	10	20	CDCD	
CC(C)(C(N)=O)C(=O)NCc1cc(Cl)ccc1O	846472626	CFMMDDOFUZRYNN-UHFFFAOYSA-N	270.716	1.173	10	20	CDCD	
CCc1cccc(CN2CCOC[C@@H]2c2ncon2)c1O	848901409	RTHQCUVQXMBFAH-CYBMUJFWSA-N	289.335	1.911	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N2CC[C@@](C)(CN)C2)cc1	841655640	SVUTZIZMXLXPRD-INIZCTEOSA-N	290.411	1.633	10	20	CDCD	
CCc1cccc(CN2CC(O)(COC)C2)c1O	848915850	BLCATXPPGDSDGZ-UHFFFAOYSA-N	251.326	1.148	10	20	CDCD	
COc1cccc(O)c1CNc1cnn(CCN(C)C)c1	844269324	GOKHQYZKFIXANQ-UHFFFAOYSA-N	290.367	1.771	10	20	CDCD	
C[C@H](CN)N(C)Cc1ccc(N2CCN(C)CC2)cc1	843051459	INLUSFRBYIGJGY-CQSZACIVSA-N	276.428	1.217	10	20	CDCD	
CCOc1cccc(CNCC[C@]2(O)CCCOC2)c1O	846109926	KTTDWHRJENSZOA-MRXNPFEDSA-N	295.379	1.812	10	20	CDCD	
C[C@H](NC(=O)NCC1(N)CCC1)c1ccc(N(C)C)cc1	841883238	UAPFQVATEUDPRN-LBPRGKRZSA-N	290.411	1.994	10	20	CDCD	
C[C@@H](N)CN(C)Cc1ccc(N2CCOCC2)cc1	844221127	VZQXRHARQQFHGG-CYBMUJFWSA-N	263.385	1.302	10	20	CDCD	
COc1ccc(N2CCCN(C[C@H]3CCNC3)CC2)cc1	844221336	DDXNBNZOOUYKAS-HNNXBMFYSA-N	289.423	1.817	10	20	CDCD	
C[C@@H](NC[C@@H](O)Cn1ccnn1)c1ccc(Cl)cc1O	841752585	BPPIUAXASONCCS-MWLCHTKSSA-N	296.758	1.349	10	20	CDCD	
COC(=O)N1CC(N[C@@H](C)c2cc(F)cc(F)c2O)C1	756760051	NNUVOFPCRPCLBT-ZETCQYMHSA-N	286.278	1.772	10	20	CDCD	
COc1cc(N(C)Cc2cnon2)cc(OC)c1OC	851784601	VLKYNNRCPATDEW-UHFFFAOYSA-N	279.296	1.732	10	20	CDCD	
CNC[C@H](C)NC(=O)N(C)Cc1ccc(N(C)C)cc1	851682012	SOCFXNKPSMWVFP-LBPRGKRZSA-N	278.400	1.502	10	20	CDCD	
O=C(c1cc(O)cs1)N1CC[C@@]2(CCOC2)C1	757426025	VJIGDIVBMXDANH-GFCCVEGCSA-N	253.323	1.706	10	20	CDCD	
C[C@@H]1OCC[C@@]1(C)NC(=O)/C=C\c1ccc(O)c(O)c1	753051838	JZEKRXWQIIKLRV-YIYHRZOWSA-N	277.320	1.795	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2cn(C3CC3)nn2)c1	860242558	VWUDZZGSOFWQLW-UHFFFAOYSA-N	288.307	1.257	10	20	CDCD	
C[C@H]1C[C@@H](NC(=O)Cc2ccc(N)cc2)CCN1C	132925418	NOTFZDOSTPXZEO-FZMZJTMJSA-N	261.369	1.410	10	20	CDCD	
Cc1ccc(O)c(CNS(=O)(=O)c2conc2C)c1	867559343	JJYYRYFGRCMLEZ-UHFFFAOYSA-N	282.321	1.476	10	20	CDCD	
Cc1n[nH]cc1CNC(=O)N[C@H](C)c1ccccc1O	875095611	NHZCCELYVUIENF-SNVBAGLBSA-N	274.324	1.984	10	20	CDCD	
Cc1cccc(O)c1CN(C)[C@H](C)CN1CCOCC1	877485145	MAMRMMVXGCCAGX-CQSZACIVSA-N	278.396	1.853	10	20	CDCD	
Cc1ccc(CN2CCC[C@@H](CC(N)=O)C2)c(O)c1	876782211	UUZSTWCEKQDAPV-LBPRGKRZSA-N	262.353	1.788	10	20	CDCD	
C[C@H](NC(=O)[C@H]1C[C@H]1C(=O)O)c1ccc(N(C)C)cc1	872859861	VCIYKGPCFHMIQR-TVYUQYBPSA-N	276.336	1.651	10	20	CDCD	
CC[C@H](O)CN1CCN(c2ccc(OC)cc2OC)CC1	879463097	QMNXHEQXWZKEIH-ZDUSSCGKSA-N	294.395	1.597	10	20	CDCD	
Cc1ccc(CN2CCN(C[C@H]3CCOC3)CC2)c(O)c1	876784865	MFOCPHOBAWIMAW-OAHLLOKOSA-N	290.407	1.855	10	20	CDCD	
CCOc1ccc(CN2C[C@@H]3CN(C)C[C@@H]3C2)c(O)c1	787303546	HUZLIXVLAPJUDR-OKILXGFUSA-N	276.380	1.784	10	20	CDCD	
C[C@H](NCCNC(=O)c1cc[nH]n1)c1c(O)cccc1F	886588037	KCGLEFOZGAGARF-VIFPVBQESA-N	292.314	1.335	10	20	CDCD	
Fc1cc(CNCc2cnc[nH]2)ccc1N1CCOCC1	894193505	QZFSTVHCHHHLFK-UHFFFAOYSA-N	290.342	1.675	10	20	CDCD	
O=[N+]([O-])c1ccc(O)c(CNCCCCCO)c1	83398112	PAHAJLXUCYSNOE-UHFFFAOYSA-N	254.286	1.553	10	20	CDCD	
CCOCCOC1CN(Cc2cc(F)cc(F)c2O)C1	894414999	KAZNAGJSUFUMOE-UHFFFAOYSA-N	287.306	1.908	10	20	CDCD	
CCNC(=O)C(C)(C)NCc1cc(C)cc(OC)c1O	894969747	KBIHAMWCPGFAAW-UHFFFAOYSA-N	280.368	1.714	10	20	CDCD	
C[C@H](NC(=O)CC1OCCO1)c1ccc(N(C)C)cc1	793855004	FZMYYHADMNQBHB-NSHDSACASA-N	278.352	1.693	10	20	CDCD	
c1cn2c(n1)C[C@H](NCc1ccc3c(c1)CCO3)CC2	778186983	BKHWFBIGWJZYSW-CQSZACIVSA-N	269.348	1.923	10	20	CDCD	
Nc1ccc(CNC(=O)NCCOC[C@@H]2CCCO2)cc1	1335499064	HUQHLKXTNXAEGA-AWEZNQCLSA-N	293.367	1.264	10	20	CDCD	
CC1(C)CN(C(=O)NCc2ccc(N)cc2)CCO1	1346740193	XXVDHLNKEIAOLE-UHFFFAOYSA-N	263.341	1.589	10	20	CDCD	
Cc1ccn(C[C@H](C)C(=O)NCc2ccc(N)cc2)n1	1343568418	ZDUBUTSICVPNTK-NSHDSACASA-N	272.352	1.726	10	20	CDCD	
Cn1ccnc1CCC(=O)NCc1ccccc1O	1528037945	RVMZONUTZAOJAC-UHFFFAOYSA-N	259.309	1.375	10	20	CDCD	
O=C(O)[C@@H]1CCN(Cc2cc(F)c(F)cc2O)C1	1601828655	TYTLQZZELCARQY-SSDOTTSWSA-N	257.236	1.577	10	20	CDCD	
O=C(O)[C@H]1CCN(Cc2cc(F)c(F)cc2O)C1	1601828656	TYTLQZZELCARQY-ZETCQYMHSA-N	257.236	1.577	10	20	CDCD	
CN(Cc1cnn[nH]1)Cc1cc(F)c(F)cc1O	1576863711	ZAMNWGCVAALDDX-UHFFFAOYSA-N	254.240	1.421	10	20	CDCD	
C[C@H](C(=O)O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	1588568163	ANEDNKXFGXKKNG-UWVGGRQHSA-N	264.325	1.651	10	20	CDCD	
Cc1cc(-c2nn[nH]n2)nc(Sc2nccs2)n1	1591902890	AKKQJAZAKFSBHA-UHFFFAOYSA-N	277.338	1.573	10	20	CDCD	
C[C@H](NC[C@H]1COCCO1)c1cc(C(=O)O)ccc1O	1593257896	VERBYJHCMCAQRX-ONGXEEELSA-N	281.308	1.156	10	20	CDCD	
CCCOc1ccc(CN[C@@H](CC(N)=O)C(=O)O)cc1C	1776820335	SWCNOBBQPLIZFZ-LBPRGKRZSA-N	294.351	1.202	10	20	CDCD	
O=C(O)C1(C(=O)NCc2ccccc2O)CCSCC1	901609552	QDUMJRCTSKEUBD-UHFFFAOYSA-N	295.360	1.606	10	20	CDCD	
O=C(NCc1ccccc1O)[C@@H]1C[C@@]12CCCNC2	848426268	BTOXSUUUROEHAL-SWLSCSKDSA-N	260.337	1.398	10	20	CDCD	
CCNC(=O)N1CCN(Cc2ccc(C)cc2O)CC1	876553408	MBZACDGKZZZCKI-UHFFFAOYSA-N	277.368	1.548	10	20	CDCD	
CS(=O)(=O)[C@@H]1CCN(Cc2cc(F)cc(F)c2O)C1	894670019	DWLBGWLZJNAKCU-SNVBAGLBSA-N	291.319	1.289	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCCNC1	37801147	UYZQZNVPVDDEAS-CQSZACIVSA-N	275.396	1.711	10	20	CDCD	
Cc1noc(CN(C)C(=O)Nc2ccc(N)cc2)n1	706635740	NGTYQOGQYMEOHK-UHFFFAOYSA-N	261.285	1.624	10	20	CDCD	
O=C(O)C[C@@H]1CC[C@H](NC(=O)c2cccc(O)c2O)C1	381014264	KPHALJUXTAKFHH-BDAKNGLRSA-N	279.292	1.471	10	20	CDCD	
COC[C@](C)(O)CN[C@H](C)c1ccc(C)cc1O	382576598	UGCSOLDHPIGHFM-BXUZGUMPSA-N	253.342	1.749	10	20	CDCD	
Oc1ccc(F)cc1CN1CC[C@H]2NCC[C@@H]2C1	386482266	INJSJFVKZOEIPW-ZWNOBZJWSA-N	250.317	1.715	10	20	CDCD	
CNC(=O)[C@H](CC(C)C)NCc1ccc(C)cc1O	877124876	RUDGDRFYKJSBBX-ZDUSSCGKSA-N	264.369	1.951	10	20	CDCD	
CN(C)CCNC(=O)NCc1ccc(N2CCCC2)cc1	179214314	VBZWVHAQKJAFKJ-UHFFFAOYSA-N	290.411	1.648	10	20	CDCD	
COc1cc(O)c(CNC2(CO)CCC2)cc1OC	180935324	ANRYVLIYNMVOIM-UHFFFAOYSA-N	267.325	1.414	10	20	CDCD	
NC(=O)[C@@H]1CCCN(Cc2cc(F)ccc2O)C1	183245348	RXJYQMNLQGMWDE-SECBINFHSA-N	252.289	1.229	10	20	CDCD	
COc1cc(N(C)Cc2nncn2C)cc(OC)c1OC	125793622	XONMWGAHWMALHG-UHFFFAOYSA-N	292.339	1.477	10	20	CDCD	
Cc1ccc(C(=O)N[C@H](C)c2ncon2)c(O)c1O	182957468	ARGFCSCEZJQMKL-SSDOTTSWSA-N	263.253	1.280	10	20	CDCD	
COC(=O)COc1ccc(N(C)Cc2noc(C)n2)cc1	183795680	BXCDWKCBXFARHM-UHFFFAOYSA-N	291.307	1.566	10	20	CDCD	
Cc1ccc(C(=O)NCCCOC(C)C)c(O)c1O	181771635	FGZJLDWAJCFFJS-UHFFFAOYSA-N	267.325	1.951	10	20	CDCD	
Cc1cnn(CC(=O)NCc2ccc(N(C)C)cc2)c1	49086577	BDNFNIYKLLNMBH-UHFFFAOYSA-N	272.352	1.574	10	20	CDCD	
CN1CCCc2cc(CNC(=O)C(C)(C)CN)ccc21	237092992	SLWJCICJIGUFJL-UHFFFAOYSA-N	275.396	1.670	10	20	CDCD	
C[C@H](CO)CN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1	268852239	PXEFASSUERPWCN-STQMWFEESA-N	296.386	1.941	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2C[C@@H](C)[C@H](CO)C2)c1O	278438662	VLOCPIVBXISNAV-KOLCDFICSA-N	296.323	1.369	10	20	CDCD	
CN1CCCc2cc(CN3C(=O)[C@H]4CCCN4C3=O)ccc21	272479721	RMDPDHDBWXSFCH-OAHLLOKOSA-N	299.374	1.996	10	20	CDCD	
CC[C@H]1CN(C(=O)c2ccc(C)c(O)c2O)C[C@H]1O	273028077	SHLHDYLBYRWLSQ-GXSJLCMTSA-N	265.309	1.249	10	20	CDCD	
Cc1cc(O)c(CN[C@H](C)c2ncn(C)n2)cc1C	275870705	VKAWALLMNATSDC-LLVKDONJSA-N	260.341	1.988	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNCC2=CCCOC2)c1O	290151072	LDCVJAOCSRCNOL-UHFFFAOYSA-N	294.307	1.745	10	20	CDCD	
CN1CC[C@]2(CCN(C(=O)c3c(F)ccc(O)c3O)C2)C1	295396758	RZHRXJSBGNBGIE-HNNXBMFYSA-N	294.326	1.405	10	20	CDCD	
CC[C@H](CNS(C)(=O)=O)N[C@H]1CCc2cccc(O)c21	296584766	UPXCAMUMQGCSLQ-NEPJUHHUSA-N	298.408	1.297	10	20	CDCD	
Cc1cc(CN2CCC(NC(N)=O)CC2)ccc1N(C)C	292928995	YVMTWDCNPGWEEJ-UHFFFAOYSA-N	290.411	1.694	10	20	CDCD	
CC(C)(C)OC(=O)NCC(=O)NCc1ccc(N)cc1	296881287	FODCLEDEBSXOHQ-UHFFFAOYSA-N	279.340	1.410	10	20	CDCD	
CN(C[C@@H](O)CNc1ccccc1OCCF)C1CC1	819489939	YZFQBFOTNIRCBK-ZDUSSCGKSA-N	282.359	1.902	10	20	CDCD	
CCN(C)c1ccc(CN[C@H]2C(=O)NCC[C@@H]2C)cc1	815108531	YXZQBGLJRWGSMQ-SWLSCSKDSA-N	275.396	1.757	10	20	CDCD	
O=C(CN1CCCC1)NCc1cc(Cl)ccc1O	824213143	JKYUGEAIPXNPRA-UHFFFAOYSA-N	268.744	1.758	10	20	CDCD	
COc1cccc(CNC[C@@H]2CCOC[C@H]2OC)c1O	824707939	BSVDOEPSPAEGPS-SMDDNHRTSA-N	281.352	1.542	10	20	CDCD	
O=C(NCc1c(O)ccc2c1CCCC2)[C@H](O)C1CC1	830559762	VGLKUAODUGQQBW-OAHLLOKOSA-N	275.348	1.658	10	20	CDCD	
CC[C@@H](CNCc1ccc(N2CCOCC2)cc1)C(=O)O	903705073	QHLAEGAUOLSUMT-AWEZNQCLSA-N	292.379	1.724	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)C1=NNC(=O)C1	732283941	XPCPIWXMCCZVRH-UHFFFAOYSA-N	275.308	1.007	10	20	CDCD	
CC[C@@H](OC)C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1	832280312	OSXLLSDTCDKJQY-ZIAGYGMSSA-N	279.384	1.294	10	20	CDCD	
CN(C(=O)c1cccc(O)c1O)[C@H](CO)CC(C)(C)C	836972003	MXVAEAQJCHNGPR-JTQLQIEISA-N	281.352	1.967	10	20	CDCD	
CC(C)(C)C(=O)NCc1nc(Cc2ccc(N)cc2)no1	843160493	YSBMAZSRACNVJV-UHFFFAOYSA-N	288.351	1.905	10	20	CDCD	
COc1cc(O)c(CN2CC[C@@H](N)[C@H](C)C2)cc1OC	843050996	CXMNJHCDDMFUPZ-ZYHUDNBSSA-N	280.368	1.579	10	20	CDCD	
CC(C)(C)N1CC[C@H](NC(=O)Nc2ccc(N)cc2)C1=O	843043537	WQSXVMSEYIAILN-LBPRGKRZSA-N	290.367	1.790	10	20	CDCD	
NCC(F)(F)CNCc1cc(Cl)cc(F)c1O	841059619	ILPAHRJWWVBSDZ-UHFFFAOYSA-N	268.666	1.868	10	20	CDCD	
COc1cccc([C@@H](C)N[C@H]2COC[C@H]2OC)c1O	846167810	DZPXBTPJLHDGOO-SUZMYJTESA-N	267.325	1.465	10	20	CDCD	
CC(C)[C@H](N)CNC(=O)NCCc1ccc(N)cc1	841945024	UHFVNAQRFKUOMA-CYBMUJFWSA-N	264.373	1.094	10	20	CDCD	
NC[C@H]1CCCC[C@@H]1NC(=O)NCCc1ccc(N)cc1	841952007	YVPNTYYMPQFUNG-HIFRSBDPSA-N	290.411	1.628	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CCCNC2)c1	841943589	RLCCJCFNOUUYIX-QWRGUYRKSA-N	293.367	1.513	10	20	CDCD	
C[C@H](NC[C@H](C)S(C)(=O)=O)c1cc(F)cc(F)c1O	756770101	QPTSIXPPAJNHEC-YUMQZZPRSA-N	293.335	1.754	10	20	CDCD	
CON(C)CCN[C@@H](C)c1cc(F)cc(F)c1O	850479651	YEIBCZCJVAKGLM-QMMMGPOBSA-N	260.284	1.814	10	20	CDCD	
N[C@H]1C[C@H](C(=O)NCCCSc2nccs2)C1	852841016	VICWCTMEIVSRCB-KYZUINATSA-N	271.411	1.479	10	20	CDCD	
C[C@H]1C[C@@H](NCCS(C)(=O)=O)c2c(O)ccc(F)c21	756505666	VDKZSKKQMFTGRT-WCBMZHEXSA-N	287.356	1.714	10	20	CDCD	
CN(C)c1ccc(CNCCN2CC[C@@H](O)C2)cc1F	858298474	SHZJJPVJCKIHLL-CYBMUJFWSA-N	281.375	1.048	10	20	CDCD	
CCOc1ccc(CN[C@H]2CCC[C@@H]2O)c(O)c1	865736843	RYANUEWKLLJPIJ-STQMWFEESA-N	251.326	1.794	10	20	CDCD	
CCC[C@@H](C)CS(=O)(=O)NCc1ccc(O)cc1O	867417238	OVGZUJAEXQKVDQ-SNVBAGLBSA-N	287.381	1.953	10	20	CDCD	
COc1cccc(O)c1CN(C)Cc1cnn(C)c1	768200721	QLNPFJZJNUJBDV-UHFFFAOYSA-N	261.325	1.766	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2cncn2C)cc1	763954119	MUXVMXGWGOYRQC-UHFFFAOYSA-N	258.325	1.416	10	20	CDCD	
CC[C@@](C)(O)C(=O)NCc1ccc(OC)cc1O	935770578	GMJZEHSZNLAEHO-CYBMUJFWSA-N	253.298	1.178	10	20	CDCD	
Cc1cccc(O)c1CNC[C@@H]1CCCN1CCCO	877558554	BDPGJNRUGKVZIX-AWEZNQCLSA-N	278.396	1.637	10	20	CDCD	
CC[C@H]1CN(Cc2cc3c(cc2O)OC[C@H]3O)CCO1	768441872	PTHWYVRUQWGSOU-SMDDNHRTSA-N	279.336	1.429	10	20	CDCD	
Cc1ccc(CN[C@@H](C)CO[C@H]2CCOC2)c(O)c1	877092865	MEYLTAZDDVSXIK-JSGCOSHPSA-N	265.353	1.984	10	20	CDCD	
CO[C@@H](C)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	773006921	GLSLFJUGWWFKEY-MNOVXSKESA-N	250.342	1.965	10	20	CDCD	
Cc1ccc(CN2CCOC[C@]23CCOC3)c(O)c1	877499715	UMMXSAFVWIGPQI-OAHLLOKOSA-N	263.337	1.692	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1CCn2ccnc2C1	779213168	DGDBAYWNGGVBHN-FXMSTWTQSA-N	299.330	1.439	10	20	CDCD	
CCN(C)c1ccc(CN2CCCNC(=O)C2)cc1	773747583	IMVKKQJYEULJJZ-UHFFFAOYSA-N	261.369	1.465	10	20	CDCD	
C[C@H](NC(=O)[C@H]1CCN(C)C1=O)c1ccc(N(C)C)cc1	775408802	BZVGHTGDGMKTRX-SMDDNHRTSA-N	289.379	1.408	10	20	CDCD	
C[C@@H](CC(N)=O)NCc1cc(Cl)cc(F)c1O	776251222	RIJCVBNURBYDME-LURJTMIESA-N	260.696	1.538	10	20	CDCD	
C/C=C(\C)C(=O)OCC(=O)c1ccc(O)c(O)c1	784036015	BFEMTSCDSWSGDK-FPYGCLRLSA-N	250.250	1.790	10	20	CDCD	
CCOc1cccc(CN[C@@H]2C(=O)NCC2(C)C)c1O	895317450	OHVIHZSTWKASBS-CYBMUJFWSA-N	278.352	1.405	10	20	CDCD	
O=C(NCCc1ccccn1)c1c(F)ccc(O)c1O	789941836	MHYKOIOTSYFSAO-UHFFFAOYSA-N	276.267	1.604	10	20	CDCD	
CC(=O)N1CCN(Cc2cc(F)cc(F)c2O)[C@@H](C)C1	894035439	XXYQEXKTKCNOAV-VIFPVBQESA-N	284.306	1.723	10	20	CDCD	
COc1cc(N2C[C@@H]3C[C@@]3(CO)C2)c([N+](=O)[O-])cc1OC	782407084	NUFNIUXTNGNSRC-XPTSAGLGSA-N	294.307	1.431	10	20	CDCD	
CC1(C)CCN(CCNC(=O)NCc2ccccc2O)C1	892527191	LXQCUZYKCJEQGM-UHFFFAOYSA-N	291.395	1.923	10	20	CDCD	
COc1ccc(CNC(=S)NCCCN(C)C)c(O)c1	795030632	CPRZCTDWBXUYNX-UHFFFAOYSA-N	297.424	1.317	10	20	CDCD	
COC[C@@](C)(NCc1ccc(N(C)C)cc1)C(=O)O	789904283	VAHOPAVTGRTRDB-CQSZACIVSA-N	266.341	1.332	10	20	CDCD	
CNC[C@H](C)CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1	1327480710	MVIQJCAFENKAQK-QWHCGFSZSA-N	292.427	1.968	10	20	CDCD	
CC(C)(CCNC(=O)Nc1ccc(N)cc1)C(=O)O	1609674786	JWUFBOCYRSRWIL-UHFFFAOYSA-N	265.313	1.891	10	20	CDCD	
Cn1nccc1CSc1ncc(C(=O)O)s1	1608165607	PCUPZFSBDAMPOB-UHFFFAOYSA-N	255.324	1.867	10	20	CDCD	
COc1cccc([C@H](C)NC[C@@H](C)C(=O)O)c1O	1604857056	MRGTTYAKCDBBLL-BDAKNGLRSA-N	253.298	1.772	10	20	CDCD	
CCc1cc(CC(=O)NCc2cccc(O)c2O)n(C)n1	1548791510	GREZIKPNMLZEFJ-UHFFFAOYSA-N	289.335	1.253	10	20	CDCD	
CCOC(=O)N1CCN(Cc2ccc(N)cc2)CC1	140960678	KGVJJGKSUZZICZ-UHFFFAOYSA-N	263.341	1.543	10	20	CDCD	
N[C@H]1C[C@@H](NCc2ccc(N3CCOCC3)c(F)c2)C1	1580422855	FLKUSFZARRTSBP-BETUJISGSA-N	279.359	1.242	10	20	CDCD	
COc1ccc(CNC2(CC(=O)O)CCC2)c(O)c1OC	1599572914	WQPDWDPSDHPLJI-UHFFFAOYSA-N	295.335	1.896	10	20	CDCD	
CS[C@@H]1CN(C(=O)Nc2ccc(N)cc2)C[C@@H]1N(C)C	841295589	CAZMWEQMHAUAJU-QWHCGFSZSA-N	294.424	1.778	10	20	CDCD	
CC[C@@H](C)N1CCN(C(=O)c2cccc(O)c2O)CC1	126387182	OJXIPGWCKDZEHN-LLVKDONJSA-N	278.352	1.654	10	20	CDCD	
COCCn1cc(NC(=O)c2cccc(O)c2O)cn1	126317781	NKMDVJJYZCZTTC-UHFFFAOYSA-N	277.280	1.193	10	20	CDCD	
CN(C)C(=O)[C@H]1CCN(Cc2cc(F)cc(F)c2O)C1	894992591	KLEZJNRAWAUTEN-VIFPVBQESA-N	284.306	1.581	10	20	CDCD	
COC(=O)[C@@H]1C[C@@H]1C(=O)N(C)Cc1ccccc1O	171187159	NJZJEQDJSSQEIS-WDEREUQCSA-N	263.293	1.160	10	20	CDCD	
CC(C)(C)[C@H]1CN(C(=O)c2cccc(O)c2O)CCO1	279450131	VPDAQBVELYEXLU-GFCCVEGCSA-N	279.336	1.985	10	20	CDCD	
OCCOCCCN[C@H]1CCc2cccc(O)c21	296273067	CIDGNUGTACHXTB-LBPRGKRZSA-N	251.326	1.368	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCC[C@H](CF)C1	711454383	YHGCSLRNJOOMGL-SECBINFHSA-N	253.273	1.920	10	20	CDCD	
COC(=O)[C@@H]1CN(Cc2cc(C)c(C)cc2O)CCO1	103134728	SXKQGBBKGFECQB-AWEZNQCLSA-N	279.336	1.383	10	20	CDCD	
CC(C)OC[C@H](O)CN1CCOc2cc(N(C)C)ccc21	119954610	KJPUXOVNYKLXJA-CQSZACIVSA-N	294.395	1.737	10	20	CDCD	
COc1ccc(O)c(CNC(=O)NCCn2ccnc2)c1	114581184	HLQTXDJRKOQRMH-UHFFFAOYSA-N	290.323	1.097	10	20	CDCD	
CCOCC(=O)NCc1ccc(N(C)C)cc1C	115280243	XYPASBZIOYAYGE-UHFFFAOYSA-N	250.342	1.714	10	20	CDCD	
O=C(NCCc1nccs1)c1cccc(O)c1O	126406061	UDBMZRLWIOAQRT-UHFFFAOYSA-N	264.306	1.527	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1cccnn1	183212177	UMENIXDMAQXACK-UHFFFAOYSA-N	299.334	1.974	10	20	CDCD	
C[C@@H](NCCCN1CCC(O)CC1)c1ccccc1O	183441855	RZNRXFBVEDCCJT-CYBMUJFWSA-N	278.396	1.890	10	20	CDCD	
N[C@@H](CC(=O)O)c1cc(Br)ccc1O	44214821	MSPXYAMOMRDXEZ-ZETCQYMHSA-N	260.087	1.629	10	20	CDCD	
Cc1cccc(CNCCC(=O)NC(C)C)c1O	135754169	BOICPQBZZLBARB-UHFFFAOYSA-N	250.342	1.705	10	20	CDCD	
C[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)C1CC1	48923754	STQCXAJWVYRGPJ-MRVPVSSYSA-N	298.364	1.292	10	20	CDCD	
Cc1cc(C(=O)NCCO)c(C)n1-c1ccc(F)cc1	98067253	UZVIHXMILLJTFG-UHFFFAOYSA-N	276.311	1.955	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2Cc1cnn(C)c1	163192266	MHWRCIUTRKQTKB-UHFFFAOYSA-N	272.352	1.885	10	20	CDCD	
COCCN1CC[C@H](N[C@H]2CCc3cccc(O)c32)C1	297933688	XTNNISBDQUVVSW-KBPBESRZSA-N	276.380	1.690	10	20	CDCD	
O=C(NCc1c(O)ccc2c1CCCC2)c1nc[nH]n1	269720315	SZDMLGMZMPREFT-UHFFFAOYSA-N	272.308	1.319	10	20	CDCD	
CC(=O)c1cc(F)cc(CN[C@H](C)c2nncn2C)c1O	275255719	ZDTCFJGOTRBLRK-MRVPVSSYSA-N	292.314	1.713	10	20	CDCD	
CC(C)OC(=O)[C@H](C)CNC(=O)c1cccc(O)c1O	275161300	UQUJGNUMXJTJCS-SECBINFHSA-N	281.308	1.415	10	20	CDCD	
Cc1ccc([C@@H](C)NC[C@]2(O)CCOC2)c(O)c1C	273524593	UYCICBBZPFLJTO-IUODEOHRSA-N	265.353	1.811	10	20	CDCD	
CCN1CCN(C(=O)c2ccc(C)c(O)c2O)[C@@H](C)C1	288510544	QVIXLZXXZQYGEW-NSHDSACASA-N	278.352	1.572	10	20	CDCD	
C[C@H](N[C@H]1CCCNC1=O)c1ccc(F)c(F)c1O	296510573	PMFGIVJRCMBEMA-XVKPBYJWSA-N	270.279	1.600	10	20	CDCD	
CC(C)[C@H](CO)CNC(=O)/C=C\c1ccc(O)c(O)c1	805308991	COIWTHSLKKAFII-RNZFLTOJSA-N	279.336	1.492	10	20	CDCD	
CC(C)NC(=O)OC1CN(Cc2ccccc2O)C1	297509944	XBSFYAAOMWSCKF-UHFFFAOYSA-N	264.325	1.711	10	20	CDCD	
CNC(=O)[C@H](CCSC)NCc1cccc(C)c1O	809784587	MBESCYCVIORKJT-LBPRGKRZSA-N	282.409	1.658	10	20	CDCD	
CN1CCCc2cc(CNC(=O)[C@H]3CCCN3C)ccc21	299487115	HJKXYFOWGBKWHV-MRXNPFEDSA-N	287.407	1.779	10	20	CDCD	
COc1cccc(CNC[C@H]2CC[C@H](C(N)=O)CC2)c1O	817413064	SCYKXWQJOINULB-HAQNSBGRSA-N	292.379	1.782	10	20	CDCD	
COc1cccc(CNC(=O)CCc2ccn(C)n2)c1O	815834662	SWJGUSWPMWVADJ-UHFFFAOYSA-N	289.335	1.383	10	20	CDCD	
COC[C@@H](C)CN1C(=O)CN(Cc2ccccc2O)C1=O	819164370	HLZUFRJMMFHNGU-NSHDSACASA-N	292.335	1.439	10	20	CDCD	
CN(Cc1cc2c(cc1O)OCO2)[C@H]1CC(C)(C)OC1=O	814181407	ZREJLSMOFJVHPC-JTQLQIEISA-N	293.319	1.647	10	20	CDCD	
Cc1cc(O)c(CN[C@@H]2CCc3nnnn3CC2)cc1C	817419693	WCEXJAXXDOCNHI-CYBMUJFWSA-N	287.367	1.490	10	20	CDCD	
COc1cc(C)cc(CN(C)[C@H](C)C(=O)O)c1O	820759712	ZFFVKFNPMTUGKI-SECBINFHSA-N	253.298	1.614	10	20	CDCD	
C[C@@H](NC(=O)[C@H]1CCCCS1(=O)=O)c1ccccc1O	827941519	SYBKOODFTPRDGY-ZWNOBZJWSA-N	297.376	1.537	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2[nH]cnc2C)c1	821066426	YDKNFDNMSLBKEN-MRVPVSSYSA-N	275.308	1.923	10	20	CDCD	
C[C@@H]1CN(Cc2ccc(Br)cc2O)CC(=O)N1	826064528	LBFUXUNOVYWSTM-MRVPVSSYSA-N	299.168	1.475	10	20	CDCD	
C[C@@H](N)CC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	827726154	SLWJIRBLFBEJQH-CHWSQXEVSA-N	291.395	1.438	10	20	CDCD	
CC(C)N(CCO)c1ccc(/C=C\C(=O)O)cc1[N+](=O)[O-]	826951467	JTFUQESXYCURLK-XQRVVYSFSA-N	294.307	1.900	10	20	CDCD	
CC(C)(C)C(=O)CNC(=O)/C=C\c1ccc(O)c(O)c1	588407607	KXFRCFJENRMGHO-ALCCZGGFSA-N	277.320	1.842	10	20	CDCD	
CCn1cnc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1	831924335	FZKYZYBILVVMDX-SNVBAGLBSA-N	289.335	1.675	10	20	CDCD	
COc1cc(O)c(CN[C@@H](CN)C2CC2)cc1OC	841028238	MZOCMCIPYSPRCU-NSHDSACASA-N	266.341	1.236	10	20	CDCD	
Nc1ccc(CC(=O)N2CCC[C@@H]([C@H]3CCNC3)C2)cc1	841855311	DHSBEEKQDSMZTH-LSDHHAIUSA-N	287.407	1.659	10	20	CDCD	
CSc1ccc(C=C2C(=O)N(C)C(=O)N(C)C2=O)s1	840714158	XRPKPNODRLOHMO-UHFFFAOYSA-N	296.373	1.904	10	20	CDCD	
COCCOCCNCc1ccc(N(C)C)cc1C	840930626	NCMREZRHAVOISO-UHFFFAOYSA-N	266.385	1.814	10	20	CDCD	
OC[C@@H](CCF)NCc1cccc(Br)c1O	846095437	ANCYCJNJPJYSSG-SECBINFHSA-N	292.148	1.965	10	20	CDCD	
CNC[C@@H]1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2O)C1	843052989	SCMYAICDAHZKFM-JTQLQIEISA-N	295.339	1.350	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)NCC(F)(F)CN	841971759	VURMKFQIDFTTHB-UHFFFAOYSA-N	273.283	1.128	10	20	CDCD	
COc1ccc(N(C)CCN(C)Cc2nc(C)no2)cc1	844398854	DGMJNMAWHAXELU-UHFFFAOYSA-N	290.367	1.955	10	20	CDCD	
C[C@H](CC(C)(C)O)NC(=O)NCCc1ccc(N)cc1	841956232	ZKIVQKCDISIPFZ-LLVKDONJSA-N	279.384	1.660	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCC(O[C@@H]2CCOC2)CC1	748509787	DSEQRIKCZKBODO-GFCCVEGCSA-N	297.376	1.864	10	20	CDCD	
Cn1nnc2c1CC[C@@H](NCc1ccccc1O)C2	848566632	CTCFNWJVIKKIDG-LLVKDONJSA-N	258.325	1.168	10	20	CDCD	
CO[C@@H](C)CNC(=O)N(C)Cc1ccc(N(C)C)cc1	852530163	VHGFAGIFNSGEHI-LBPRGKRZSA-N	279.384	1.929	10	20	CDCD	
COc1ccc(CNC(=O)N[C@@H]2C[C@]2(C)OC)c(O)c1	852686615	YKALCNCJAIXNQN-OCCSQVGLSA-N	280.324	1.377	10	20	CDCD	
Cc1nnc(CN(C)C(=O)c2cc(O)cs2)o1	855567628	YRNFHZYPEWQSRE-UHFFFAOYSA-N	253.283	1.417	10	20	CDCD	
CN(C)c1ccc(CN[C@@H](CO)CC(F)F)cc1F	758612590	GHQKQHYECZHCRW-SNVBAGLBSA-N	276.302	1.997	10	20	CDCD	
CC(C)[C@H](OC(=O)/C=C\c1ccc(O)c(O)c1)C(N)=O	759588275	KEFYNZIWHVGFDZ-AGLBCWCQSA-N	279.292	1.164	10	20	CDCD	
CN(Cc1cccc(Cl)c1O)[C@@]1(CO)CCOC1	862426542	JCURQNYKYKKBMM-CYBMUJFWSA-N	271.744	1.629	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)c2nnn(C)c2C)c1	862760205	NSQKRIGMFJQSPT-UHFFFAOYSA-N	260.297	1.068	10	20	CDCD	
Cc1ccc(CN[C@@H](C)CO[C@@H]2CCOC2)c(O)c1	877092864	MEYLTAZDDVSXIK-GXTWGEPZSA-N	265.353	1.984	10	20	CDCD	
CNC(=O)[C@H]1CCC[C@H]1NCc1cccc(C)c1O	776253515	XDZLQDFDIMFEHI-QWHCGFSZSA-N	262.353	1.705	10	20	CDCD	
[N-]=[N+]=NCc1ccc(C(=O)NCCn2cncn2)o1	1537963025	PTLRLHJRGCJZOG-UHFFFAOYSA-N	261.245	1.111	10	20	CDCD	
CN1CCN(Cc2cc(F)c(N(C)C)cc2F)[C@@H](CO)C1	877644912	VNGXBPFHQVVISM-GFCCVEGCSA-N	299.365	1.139	10	20	CDCD	
O=C(O)[C@H](CC1CC1)NCc1ccc2c(c1)CCO2	871882985	ZFOTVIPQBNAQDO-ZDUSSCGKSA-N	261.321	1.964	10	20	CDCD	
CC(=O)[C@@H](C)OC(=O)/C=C/c1ccc(O)c(O)c1	772770864	VNXCAFXRBCZPRW-OTQAPUNGSA-N	250.250	1.632	10	20	CDCD	
Nc1ccc(CC(=O)NC[C@H]2CCCN2CC(F)F)cc1	877006030	PQFYZELBVNSUQI-CYBMUJFWSA-N	297.349	1.657	10	20	CDCD	
O=C(COC(=O)c1cccc(O)c1O)c1nccs1	784796665	BDPPVWGPUXQPBG-UHFFFAOYSA-N	279.273	1.594	10	20	CDCD	
C[C@@H]1NC(=O)[C@@H](C)N(Cc2ccc(N(C)C)cc2)[C@H]1C	895114559	MOWQATDBZOKKQN-RWMBFGLXSA-N	275.396	1.850	10	20	CDCD	
OC[C@]12C[C@H]1CN(Cc1cc(Cl)cc(F)c1O)C2	783733702	ITSIHYQXHTVEII-TVQRCGJNSA-N	271.719	1.999	10	20	CDCD	
COC[C@H](NCc1ccc(OC)c(OC)c1O)C1CC1	893181369	IGUCIWQRNYEXHE-LBPRGKRZSA-N	281.352	1.924	10	20	CDCD	
COc1cc(C)cc(CN2CCC(O)(CO)CC2)c1O	895261340	VPWXOXYQGCTETP-UHFFFAOYSA-N	281.352	1.028	10	20	CDCD	
OC[C@@H](Oc1ccccc1O)[C@@H](O)c1ccc(O)c(O)c1	91691839	DOHRKVZLQIYIMC-CABCVRRESA-N	292.287	1.277	10	20	CDCD	
CCN1CCCC[C@H]1C(=O)NCc1ccc(OC)cc1O	794369699	JXMFNNVRHYDCFA-AWEZNQCLSA-N	292.379	1.891	10	20	CDCD	
C[C@H](CC(N)=O)NCc1ccc(Br)cc1O	691431577	WOXCOACKDSQJOW-SSDOTTSWSA-N	287.157	1.508	10	20	CDCD	
CCOc1nc(C(=O)NCc2ccccc2O)co1	773399761	ZLJQKPOHWVLUQZ-UHFFFAOYSA-N	262.265	1.709	10	20	CDCD	
C[C@H](N[C@@H]1CCCCNC1=O)c1cc(F)ccc1O	94617261	NPTJOIUWQJREFA-JOYOIKCWSA-N	266.316	1.851	10	20	CDCD	
CCC[C@@](C)(O)CNC(=O)NCc1ccc(N)cc1	1335728723	CKCPMHAHXHXNBE-CQSZACIVSA-N	265.357	1.619	10	20	CDCD	
COC[C@@H](NCc1cc(F)c(N(C)C)cc1F)C(=O)O	1261845915	SABAPGCZJNZCGL-LLVKDONJSA-N	288.294	1.220	10	20	CDCD	
CC[C@H]1NCC[C@H]1C(=O)NCc1c(O)cccc1F	1344820647	BHDSMHSUNNPGQF-BXKDBHETSA-N	266.316	1.536	10	20	CDCD	
CC1(C)C[C@]1(C(=O)O)C(=O)NCc1cc(O)ccc1O	1589218431	TYTZKPWVBLTQGI-CQSZACIVSA-N	279.292	1.215	10	20	CDCD	
C[C@@H](NCCS(=O)(=O)N(C)C)c1ccc(F)cc1O	230989896	SZUVEBMXCGBEJS-SECBINFHSA-N	290.360	1.073	10	20	CDCD	
Cc1ccc(C(=O)N2CC[C@](C)(C(=O)O)C2)c(O)c1O	1594344763	OUYXAMJMYAKENO-AWEZNQCLSA-N	279.292	1.343	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)C2CCN(C)CC2)c1	153948530	HOUAJBMOYNADEY-NSHDSACASA-N	292.379	1.920	10	20	CDCD	
CC(C)(O)[C@H]1CCCN1Cc1cc2c(cc1O)OCO2	154430432	KCYGIHCQGACOKJ-CQSZACIVSA-N	279.336	1.856	10	20	CDCD	
O=C1NCCC[C@H]1CNCc1cc(F)ccc1O	839195605	LLNVVTODQJVMNP-VIFPVBQESA-N	252.289	1.147	10	20	CDCD	
COC[C@@H]1CN(Cc2c(O)cccc2OC)CCO1	1319711296	HXYTXLRDONKIDI-NSHDSACASA-N	267.325	1.248	10	20	CDCD	
C[C@H](NCCNC(=O)C1CC1)c1cc(F)ccc1O	168734989	XQZKUXXHWAIKRJ-VIFPVBQESA-N	266.316	1.708	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CC[C@@H]([C@H](C)O)C2)c1O	167856330	RBOJPAFBIXXIQW-GXSJLCMTSA-N	281.327	1.937	10	20	CDCD	
COCc1cc(C(=O)N(C)Cc2ccccc2O)no1	175507348	FGTKCBQAEQUAGI-UHFFFAOYSA-N	276.292	1.799	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NCCCNC(C)=O)c1	182463673	WJZVEYWCCZVBDI-SNVBAGLBSA-N	266.341	1.578	10	20	CDCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2NC[C@H]1CNC(=O)C1	398423858	WIJTZMJNEZCAAD-GRYCIOLGSA-N	274.364	1.975	10	20	CDCD	
COc1cccc(CN2CCC(C(N)=O)CC2)c1O	4681759	BZLPAZJARVLHLU-UHFFFAOYSA-N	264.325	1.098	10	20	CDCD	
CC[C@H](NCCNC(=O)C1CC1)c1ccccc1O	119123422	VXUUGYCEFAWNFS-ZDUSSCGKSA-N	262.353	1.959	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCC(n2ccnc2)CC1	187049770	HRUPFVUNTARYNA-UHFFFAOYSA-N	287.319	1.772	10	20	CDCD	
Cn1cc(/C=C/C(=O)N2C[C@H](C(=O)O)c3ccccc32)cn1	316642804	VRRSZAYDLOWIJO-YBJDMEARSA-N	297.314	1.648	10	20	CDCD	
CN(C)c1ccc(CNC(=O)C2=CCOCC2)cc1F	187983899	ANXBOVYNJZAFAV-UHFFFAOYSA-N	278.327	1.855	10	20	CDCD	
NC(=O)[C@H]1CCCN(Cc2cc(F)ccc2O)C1	183245331	RXJYQMNLQGMWDE-VIFPVBQESA-N	252.289	1.229	10	20	CDCD	
CN(Cc1ccccc1O)C[C@H](O)CN(C)C1CC1	289325940	HABVBELQOACRMW-AWEZNQCLSA-N	264.369	1.279	10	20	CDCD	
CC(C)(O)C(=O)NCc1ccc(N2CCCC2)cc1	191770998	FKYYFWXBJGWHJR-UHFFFAOYSA-N	262.353	1.674	10	20	CDCD	
CCCOc1ccc(CN(C)CCC(=O)NC)c(O)c1	179411805	LEEQOIZUIUOBKC-UHFFFAOYSA-N	280.368	1.749	10	20	CDCD	
Cc1ccc(O)c([C@H](C)NCC(=O)N2CCOCC2)c1	181232980	ZQTZUOIAPROXSN-LBPRGKRZSA-N	278.352	1.210	10	20	CDCD	
CCOC[C@H]1CN(Cc2cc(C)cc(OC)c2O)CCO1	530103965	AKHVSNHSFCWCFI-CQSZACIVSA-N	295.379	1.947	10	20	CDCD	
COc1cc(N2CCO[C@H](C)C2)c([N+](=O)[O-])cc1OC	271022056	JMGUGURLUWLBIZ-SECBINFHSA-N	282.296	1.837	10	20	CDCD	
C[C@@H](CCO)N[C@@H](C)c1cc([N+](=O)[O-])ccc1O	273619256	YMNMTZNXFZWDHA-IUCAKERBSA-N	254.286	1.722	10	20	CDCD	
CCN1CCN(Cc2cc(Cl)cc(OC)c2O)CC1=O	273721329	IGVFKYYVHXKJGZ-UHFFFAOYSA-N	298.770	1.718	10	20	CDCD	
COc1ccc(O)c(CNC(=O)C[C@@H]2CCCC(=O)N2)c1	377701516	TYYKPUCBNWSFOT-NSHDSACASA-N	292.335	1.076	10	20	CDCD	
COCCn1c(SCC(=O)C(C)=O)nc2ccccc21	288846043	KBCRFIXBKQCTJM-UHFFFAOYSA-N	292.360	1.933	10	20	CDCD	
O=C(NCc1cc(Cl)cc(Cl)c1O)c1cnn[nH]1	807839661	ILBVZKNXXGOHQZ-UHFFFAOYSA-N	287.106	1.747	10	20	CDCD	
COc1ccc(O)c(CNC(=O)OC[C@H]2CCCO2)c1	805013567	WYANCDJEKDZYHT-GFCCVEGCSA-N	281.308	1.806	10	20	CDCD	
CC(C)(CCNCc1cc2c(cc1O)OCO2)C(=O)O	818628902	GNBMXDLJYLWVTO-UHFFFAOYSA-N	281.308	1.711	10	20	CDCD	
CC(C)N(CC(=O)O)C(=O)/C=C\c1ccc(O)c(O)c1	819996694	ZOYOCNBEKFGXDR-XQRVVYSFSA-N	279.292	1.433	10	20	CDCD	
C[C@@H](CNC(=O)c1c(F)ccc(O)c1O)N1CCCC1	825440644	AGEJUCSOXMGXFZ-VIFPVBQESA-N	282.315	1.451	10	20	CDCD	
CCCS(=O)(=O)CC(=O)N[C@H](C)c1ccccc1O	827930849	SFTHSXRBYSIKIT-SNVBAGLBSA-N	285.365	1.394	10	20	CDCD	
CCc1nnc(C(=O)NCc2ccc(O)c(O)c2)s1	901133343	WPGTZFQKQJEBOH-UHFFFAOYSA-N	279.321	1.442	10	20	CDCD	
COc1cccc(CNC(=O)c2nccn3ccnc23)c1O	743331692	BBUFHAXCZJOCQA-UHFFFAOYSA-N	298.302	1.374	10	20	CDCD	
O=C(C[C@@H]1CCOC1)NCc1ccc(O)cc1O	910951582	UJWBDYMOAASUQX-VIFPVBQESA-N	251.282	1.141	10	20	CDCD	
CN(C)c1ccc(CNC(=O)O[C@H]2CCOC2)cc1	913862575	UFKLJWJXINHEIY-ZDUSSCGKSA-N	264.325	1.768	10	20	CDCD	
OC[C@H](CCF)NCc1cccc(Br)c1O	846095439	ANCYCJNJPJYSSG-VIFPVBQESA-N	292.148	1.965	10	20	CDCD	
O=C(NCc1cc(Cl)ccc1O)[C@H]1[C@@H]2CCC(=O)[C@@H]12	911897877	LITSSLVUBKUJBM-ICCXJUOJSA-N	279.723	1.887	10	20	CDCD	
NCCNC(=O)NCc1c(O)ccc2c1CCCC2	841922511	LBMVCXZONDGFCW-UHFFFAOYSA-N	263.341	1.029	10	20	CDCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)N[C@H](C)CC(N)=O	840892558	AXWWRZSLJPJUBM-CHWSQXEVSA-N	277.412	1.846	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1COC(=O)C1	919070115	GKHKXVPIQYJMGQ-LBPRGKRZSA-N	291.351	1.176	10	20	CDCD	
CC[C@@H]1CN(C)CCN1C(=O)NCCc1ccc(N)cc1	841955639	ITVQOSVHDLJPJC-OAHLLOKOSA-N	290.411	1.547	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2nnn(C)c2C)c1	743337618	XPDSXIAKNUHFBA-MRVPVSSYSA-N	290.323	1.329	10	20	CDCD	
CNC[C@H]1CCCN1Cc1cc(F)cc(C(C)=O)c1O	843352287	DCEJWBCFMIMNAW-CYBMUJFWSA-N	280.343	1.918	10	20	CDCD	
CN1CCCc2cc(CNC(=N)N3CCC3)ccc21	848999021	WQBINKVWXIDPKT-UHFFFAOYSA-N	258.369	1.799	10	20	CDCD	
CC[C@H](CN1CCOCC1)NCc1cc(C)ccc1O	922588808	BSPPIJLARFDIMW-OAHLLOKOSA-N	278.396	1.901	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2cc(C)ncn2)c1	759617739	HTRRDLAJRLKRDH-UHFFFAOYSA-N	273.292	1.429	10	20	CDCD	
CN(C)c1ccc(CNC[C@H]2CCN2C)cc1F	922575905	OGNYYGYXRKOUHI-GFCCVEGCSA-N	251.349	1.685	10	20	CDCD	
CC(=O)c1cc(Cl)cc(CN2CCNC(=O)C2)c1O	50132435	LKISBOKCTQZOOM-UHFFFAOYSA-N	282.727	1.180	10	20	CDCD	
Nc1ccc(CC(=O)NCCOC2CCSCC2)cc1	1343048797	XCGQFEGNWBUAJF-UHFFFAOYSA-N	294.420	1.840	10	20	CDCD	
CC(=O)N[C@@H](C(=O)NCc1ccc(N)cc1)C(C)C	700680208	NEPLSQLPMCGYIU-CYBMUJFWSA-N	263.341	1.046	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2ccn(C)c2)c1	764322909	YIYFXVDSKXQROX-UHFFFAOYSA-N	260.293	1.669	10	20	CDCD	
Cc1ccc(O)c(CNS(=O)(=O)c2cc(C)ns2)c1	867560010	QPZBJAIMKHBAQY-UHFFFAOYSA-N	298.389	1.944	10	20	CDCD	
COC(=O)NC(C)(C)C(=O)NCc1cc(C)ccc1O	862759502	DZRINXLYPXCEBV-UHFFFAOYSA-N	280.324	1.451	10	20	CDCD	
CNC(=O)C[C@@H](C)NC(=O)N[C@H](C)c1ccccc1O	868679275	SOJVZKXXYFSYKZ-NXEZZACHSA-N	279.340	1.277	10	20	CDCD	
CCOc1ccc(CN(C)C[C@@H](C)C(=O)NC)c(O)c1	769570283	YYTXRNWAVONANB-LLVKDONJSA-N	280.368	1.605	10	20	CDCD	
CO[C@@H]1CCCN(Cc2cc3c(cc2O)OC[C@H]3O)C1	768453620	ZYZZBCKGXMANEI-BXUZGUMPSA-N	279.336	1.429	10	20	CDCD	
Cc1ccc(C(=O)OCCOC(=O)N(C)C)c(O)c1O	1116664046	WNDHMKMDWSKAAB-UHFFFAOYSA-N	283.280	1.261	10	20	CDCD	
Oc1c(F)cc(Cl)cc1CNCCCn1cncn1	776175422	ZNDYPLFUDQPBHX-UHFFFAOYSA-N	284.722	1.956	10	20	CDCD	
CCO[C@@H]1COC[C@H]1NCc1ccc(C)cc1O	877575407	SFODABPQJXWRNX-TZMCWYRMSA-N	251.326	1.594	10	20	CDCD	
CC(C)[C@H](F)C(=O)OCC(=O)c1ccc(O)c(O)c1	784876028	ONTVVIVVVMMNCA-LBPRGKRZSA-N	270.256	1.818	10	20	CDCD	
CN(C)c1ccc(CNC(=O)C(=O)NC2CCC2)cc1	785440382	ZGKAPKGJYFBMSV-UHFFFAOYSA-N	275.352	1.038	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CCSC[C@@H]2CO)c1O	388399952	VCNKBJLXRLVMEH-LBPRGKRZSA-N	299.367	1.644	10	20	CDCD	
COc1ccc(CN(C)CC2(C)COC2)c(O)c1OC	895582626	WDMQNYWDQHBVPD-UHFFFAOYSA-N	281.352	1.878	10	20	CDCD	
O=C(O)[C@]1(O)CCN(Cc2c(O)cccc2Cl)C1	1608578473	YRDIUTCVWDUHAF-LBPRGKRZSA-N	271.700	1.067	10	20	CDCD	
CN1CC[C@@H]2CN(Cc3cc(F)cc(F)c3O)C[C@@H]21	1181900839	MOCHGCQCRDTIPW-RNCFNFMXSA-N	268.307	1.806	10	20	CDCD	
COc1ccc(CN2CCC[C@@H](N(C)C)C2)c(O)c1OC	1262356708	KVHHSHMLWFUPID-CYBMUJFWSA-N	294.395	1.935	10	20	CDCD	
Nc1ccc(CNC(=O)N[C@@H]2CCC[C@H](N)C2)cc1	1262586105	UZKWALIOJGFOLJ-QWHCGFSZSA-N	262.357	1.338	10	20	CDCD	
CCCN(C(=O)NCc1ccc(N)cc1)C1CCNCC1	1262603874	XUAIYRFMTPUCAG-UHFFFAOYSA-N	290.411	1.942	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)C(=O)NCC1CC=CC1	1352367064	UHDGNUXPNAVXAX-UHFFFAOYSA-N	288.347	1.433	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CCc2nccn2C)cc1	1518787525	FMZAUUCAXPUSPV-UHFFFAOYSA-N	286.379	1.735	10	20	CDCD	
Cc1ccc(C(=O)N2CCC[C@H](C(=O)O)C2)c(O)c1O	1607727685	DSGKDXMZRCFMBT-VIFPVBQESA-N	279.292	1.343	10	20	CDCD	
Cn1cc(/C=C/C(=O)N2CCc3c(C(=O)O)cccc32)cn1	1600944995	DAXNRELLBYOBHM-AATRIKPKSA-N	297.314	1.721	10	20	CDCD	
Cc1cc(NCc2ccccc2O)cc(-c2nn[nH]n2)n1	1609410654	QLRWHXMTJVJRPB-UHFFFAOYSA-N	282.307	1.888	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](C)CC(=O)O	1609755271	ZBNHXGGVNHNUIT-RKDXNWHRSA-N	281.308	1.256	10	20	CDCD	
CC(=O)C(=O)COC(=O)c1cc(C)cc(C(=O)O)c1	1588485817	KUDFVWQSJCVREB-UHFFFAOYSA-N	264.233	1.008	10	20	CDCD	
C[C@@H](NC1CCNCC1)c1cc(C(=O)O)ccc1O	1593230754	FOFASISCDHEPPM-SECBINFHSA-N	264.325	1.493	10	20	CDCD	
COC(=O)[C@@H]1CN(Cc2cc(C)ccc2O)C[C@@H]1C(=O)O	1598828155	OHJWWYAASYKDEZ-NWDGAFQWSA-N	293.319	1.006	10	20	CDCD	
COc1cc(Cl)cc(CN[C@H](C)C[S@@](C)=O)c1O	169096721	NWAHGJXHOZKCBH-CVJBHZAOSA-N	291.800	1.911	10	20	CDCD	
C[C@H](CCO)NC(=O)NCc1ccc(N(C)C)c(F)c1	158090129	PRCCDUFIJDPPRH-SNVBAGLBSA-N	283.347	1.462	10	20	CDCD	
COc1cccc(CNC(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)c1O	155272563	NOQGMEMWAREEBV-UTUOFQBUSA-N	292.335	1.520	10	20	CDCD	
O=S1(=O)CCC[C@@H]1CNCc1ccc2c(c1)CCCO2	921862776	NQUPKMNLBZSGPQ-CQSZACIVSA-N	295.404	1.678	10	20	CDCD	
C[C@@H](NCCO[C@H]1CCOC1)c1cc(F)ccc1O	927079493	FEBCAMZLTRRVFO-PWSUYJOCSA-N	269.316	1.987	10	20	CDCD	
CCCCN(CC(N)=O)Cc1c(C)cccc1O	876616679	SFYDJUQOIOGNID-UHFFFAOYSA-N	250.342	1.788	10	20	CDCD	
COc1cccc(O)c1CN[C@@H](CO)CC(C)C	882916557	RHBZTPRDNCLRCB-LLVKDONJSA-N	253.342	1.897	10	20	CDCD	
Cc1ccnc(CNC(=O)c2cccc(O)c2O)c1	328279252	PHRXHFHIBLOKQV-UHFFFAOYSA-N	258.277	1.731	10	20	CDCD	
CO[C@@]1(C(=O)O)CCN(Cc2cc(Cl)ccc2O)C1	703766870	AMSUPJHLUSPJOJ-ZDUSSCGKSA-N	285.727	1.721	10	20	CDCD	
CN(Cc1ccc(Br)cc1O)[C@@H]1CCNC1=O	824943639	PSKADHVHJNTCDE-SNVBAGLBSA-N	299.168	1.475	10	20	CDCD	
Cn1cc(/C=C/C(=O)N2CCCc3ncccc32)cn1	25673804	BHYCABCSNBXKMU-VOTSOKGWSA-N	268.320	1.808	10	20	CDCD	
COCC[C@@](C)(O)CNCc1cc(C)c(C)cc1O	174401772	GRILUJUDZPNLAL-OAHLLOKOSA-N	267.369	1.886	10	20	CDCD	
Cc1ccc(C(=O)N[C@H]2c3ccccc3C[C@H]2O)c(O)c1O	182841419	SMGFYVXQNSNZBI-KGLIPLIRSA-N	299.326	1.794	10	20	CDCD	
N[C@H](CO)c1cc(Cl)cc(Br)c1O	72199416	SUUHPHMOLKNVDA-SSDOTTSWSA-N	266.522	1.800	10	20	CDCD	
C[C@@H](OC[C@@H]1CCCO1)C(=O)N(C)Cc1ccccc1O	70822455	DZYMRBYGIJHRFK-OCCSQVGLSA-N	293.363	1.935	10	20	CDCD	
COc1ccc(N(C)CC(=O)NC(C)C)c(OC)c1	132080663	JEYQAKRVVUYZSL-UHFFFAOYSA-N	266.341	1.665	10	20	CDCD	
CCOC(=O)C1(C(=O)NCc2ccccc2O)CC1	269141535	MOTZSFIKHOFLSW-UHFFFAOYSA-N	263.293	1.352	10	20	CDCD	
C[C@H](N[C@@H]1CCC[C@H]1O)c1cc([N+](=O)[O-])ccc1O	273461616	IETUBHOWXKOXEU-RLCGTCKNSA-N	266.297	1.864	10	20	CDCD	
COc1cccc(CNC(=O)N[C@H]2CCO[C@H](C)C2)c1O	271275088	KQJIYDWSQRLVDZ-PWSUYJOCSA-N	294.351	1.768	10	20	CDCD	
COC(=O)C(C)(C)CNC(=O)c1ccc(C)c(O)c1O	271284240	OOXOYZOSSJKULJ-UHFFFAOYSA-N	281.308	1.335	10	20	CDCD	
C[C@H](NC[C@@H](O)CN1CCCC1)c1ccc(F)cc1O	273382190	IOAAXIHIHLHZJW-WCQYABFASA-N	282.359	1.639	10	20	CDCD	
CCOc1cccc(CN[C@H](C)C(=O)NCCF)c1O	282780943	VQDYSKFHUJEVQH-SNVBAGLBSA-N	284.331	1.355	10	20	CDCD	
CCOc1cc(O)ccc1NS(=O)(=O)C[C@H](C)OC	282299148	WWQFLQOMLUTWEA-VIFPVBQESA-N	289.353	1.568	10	20	CDCD	
COCCn1cc(CNCc2cc(F)ccc2O)cn1	282451363	KDWKNSTWAADTCW-UHFFFAOYSA-N	279.315	1.664	10	20	CDCD	
NC(=O)CC1CN(Cc2cc(Cl)c(F)cc2O)C1	297388061	KIRODTXYVZVAFM-UHFFFAOYSA-N	272.707	1.492	10	20	CDCD	
CCOC(=O)[C@@H](F)C1CN(Cc2cc(OC)ccc2O)C1	294005256	TUYWQGISEBOGHA-AWEZNQCLSA-N	297.326	1.734	10	20	CDCD	
CCOc1ccc(O)c(CNC[C@H]2CC[C@@H](CO)O2)c1	292490457	BMGZVPGVDUZMAT-KGLIPLIRSA-N	281.352	1.420	10	20	CDCD	
Cc1nc([C@@H](C)NC(=O)/C=C\c2ccc(O)c(O)c2)n[nH]1	804812816	AKZGWNROAKNXAP-RZAAKKIOSA-N	288.307	1.415	10	20	CDCD	
C[C@H](NC[C@@H](N)c1ccc(N(C)C)cc1)c1cnn(C)c1	817942448	OXKQUZFLSZGXHP-BLLLJJGKSA-N	287.411	1.837	10	20	CDCD	
CCCN(CC(=O)N1CCOCC1)Cc1ccccc1O	727831019	CMVMWXWFMODGLN-UHFFFAOYSA-N	292.379	1.463	10	20	CDCD	
COc1ccc(CNC(=O)[C@@H]2CCN[C@H]2C)c(O)c1	832178653	VEIGVYKUZZLSFC-JOYOIKCWSA-N	264.325	1.015	10	20	CDCD	
c1cc2c(cc1CNCCN1CCNCC1)CCCO2	904353437	MTMVDOWMUDABQC-UHFFFAOYSA-N	275.396	1.006	10	20	CDCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1nc[nH]n1	839920102	KVHZUXFSFCQMJB-LLVKDONJSA-N	287.367	1.540	10	20	CDCD	
CCc1cccc(CN[C@@H]2CC(=O)N(C3CC3)C2)c1O	848901565	WCJAYZBHYKBCFT-CYBMUJFWSA-N	274.364	1.808	10	20	CDCD	
CCN(C(=O)/C=C/c1cnn(C)c1)c1cnn(C)c1	848342511	NKDIPNXAVWOUNF-AATRIKPKSA-N	259.313	1.220	10	20	CDCD	
COC[C@@H](CO)N[C@@H](C)c1cccc(OC)c1O	846166837	DIHHJBMLRUPDBU-VHSXEESVSA-N	255.314	1.059	10	20	CDCD	
COc1ccc(CNC(=O)NC[C@H]2CCCNC2)c(O)c1	841928140	RSXJMBZWVNFZHA-NSHDSACASA-N	293.367	1.200	10	20	CDCD	
Cc1cc(CN2CC[C@H](C(=O)O)C2)ccc1N(C)C	846227264	LTBPGBUFCPQHDE-ZDUSSCGKSA-N	262.353	1.968	10	20	CDCD	
COc1cccc([C@@H](C)NC[C@H](O)C2CCOCC2)c1O	846152583	ANTPQIWVJRDVRA-RISCZKNCSA-N	295.379	1.839	10	20	CDCD	
CCN(C)C[C@@H](O)CSc1ncc(C(=O)OC)s1	848674070	KCJOKJDNUHYOJC-MRVPVSSYSA-N	290.410	1.334	10	20	CDCD	
O=C(C[C@H]1COC(=O)C1)NCc1cc(Cl)ccc1O	846476767	PZGPDPXLPFRSTP-MRVPVSSYSA-N	283.711	1.615	10	20	CDCD	
C[C@H]1C[C@@H](NC(=O)NCCc2ccc(N)cc2)CCN1C	841835988	JMTSBUUWCWVOEE-WFASDCNBSA-N	290.411	1.593	10	20	CDCD	
Cc1ccc(O)c(CN2CCC3(CC2)COC(=O)N3)c1	753586135	BPMVWZNIQMSCAI-UHFFFAOYSA-N	276.336	1.775	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H]1CCC(=O)C1	935945458	YBGYDEQVCKVRDI-JTQLQIEISA-N	282.336	1.863	10	20	CDCD	
Cc1nocc1S(=O)(=O)NCCc1ccc(N)cc1	866761224	NRCTXFKWWLRKNA-UHFFFAOYSA-N	281.337	1.086	10	20	CDCD	
CCc1n[nH]cc1C(=O)NCc1cc(C)ccc1O	862760718	UZLUHTZKEDTJPA-UHFFFAOYSA-N	259.309	1.916	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(C)(C)C(N)=O	767477857	LCXHOBQIQKLLRE-UHFFFAOYSA-N	277.368	1.223	10	20	CDCD	
C[C@@H](C(=O)N(C)Cc1ccccc1O)[C@H]1CCC(=O)N1	860049422	UKQLIBCKHKDGIJ-ZYHUDNBSSA-N	276.336	1.265	10	20	CDCD	
COc1cccc(CN[C@@H](CCO)C2CCOCC2)c1O	763466602	KGTZDXGXTFBPGB-AWEZNQCLSA-N	295.379	1.668	10	20	CDCD	
Cn1cnc(/C=C/C(=O)N2CCOCc3ccccc32)c1	935736938	HWSITFPPEMJKKF-VOTSOKGWSA-N	283.331	1.997	10	20	CDCD	
CCN(C)S(=O)(=O)Nc1ccc(O)cc1C(C)=O	766051062	RQNIUDPPXMFCFT-UHFFFAOYSA-N	272.326	1.203	10	20	CDCD	
CC(C)(C)CN(CCO)Cc1cc2c(cc1O)OCO2	769339378	WKEKUTBIHZVXQI-UHFFFAOYSA-N	281.352	1.961	10	20	CDCD	
COC(=O)[C@@H]1CN(Cc2ccc(C)cc2O)C[C@H]1C	877602624	MQIINOOOOZOQIJ-DGCLKSJQSA-N	263.337	1.942	10	20	CDCD	
Cc1ccc(C(=O)OC[C@H]2CCCO2)c(O)c1O	778112548	GSVFFZYQRTZSQD-SECBINFHSA-N	252.266	1.742	10	20	CDCD	
COCCCN(C)CCNCc1c(C)cccc1O	877071940	VGBYTNWCNDRXRG-UHFFFAOYSA-N	266.385	1.759	10	20	CDCD	
Cc1ccc(CN2C[C@@H](CO)OC[C@@H]2C)c(O)c1	876812273	KNFYWYMMECUVLF-AAEUAGOBSA-N	251.326	1.282	10	20	CDCD	
COC1(CO)CCN(Cc2cc(C)ccc2O)CC1	775203643	GIWRVHWCNQRZFI-UHFFFAOYSA-N	265.353	1.674	10	20	CDCD	
CCO[C@@H]1C[C@@H](NC(=O)c2cc(O)cs2)[C@H]1OC	776227244	JSRQVOYVIHZQET-FXPVBKGRSA-N	271.338	1.376	10	20	CDCD	
CCOCc1cc(CN[C@@H]2C[C@H](O)[C@H](O)C2)ccc1OC	886256039	UIZFLJVXIYUSGN-QDMKHBRRSA-N	295.379	1.206	10	20	CDCD	
Nc1ccc(CNC(=O)CNC(=O)CC2CCCC2)cc1	1122535442	ACJISJLQDBRCPH-UHFFFAOYSA-N	289.379	1.582	10	20	CDCD	
Nc1ccc(CNC(=O)N2CCCN3CCC[C@@H]3C2)cc1	1120591926	MNRFVDVYYHXKCS-OAHLLOKOSA-N	288.395	1.649	10	20	CDCD	
CC[C@@]1(C)CN(Cc2cc3c(cc2O)OC[C@H]3O)CCO1	785513130	CYWJMEBRRZYZJP-ZBFHGGJFSA-N	293.363	1.819	10	20	CDCD	
O=C(NC[C@@H]1CCCCN1)N1Cc2cccc(O)c2C1	891970377	FYLMHDAKMUUGSN-LBPRGKRZSA-N	275.352	1.560	10	20	CDCD	
O=C(OCCCn1ccnc1)c1cccc(O)c1O	784788154	PRHURCCPABZDPW-UHFFFAOYSA-N	262.265	1.541	10	20	CDCD	
COc1ccc(CNC(=O)NC[C@@H](OC)C(C)C)c(O)c1	792989261	INOUYDHIDQGVBT-CQSZACIVSA-N	296.367	1.871	10	20	CDCD	
CCOc1ccc(CN2CCn3cnnc3[C@H]2C)c(O)c1	792187927	NAVKDXRJDJZFPV-LLVKDONJSA-N	288.351	1.959	10	20	CDCD	
C[C@@H]1CCN(CCNC(=O)/C=C/c2ccc(O)c(O)c2)C1	1325051482	SAQNCTNTHINSFQ-OGOUPESXSA-N	290.363	1.569	10	20	CDCD	
CCC1(CNC(=O)C(=O)N(C)Cc2ccccc2O)CC1	1322920804	AUFBRDDDFDOREF-UHFFFAOYSA-N	290.363	1.657	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N2C[C@@H]3C[C@H]2CN3)cc1	1332496647	GRNGZOPASMHFNC-JSGCOSHPSA-N	274.368	1.008	10	20	CDCD	
COCCN1[C@@H](C)CN(C(=O)c2cc(O)cs2)C[C@H]1C	1351036333	YMKKCVRKJLTYLL-PHIMTYICSA-N	298.408	1.635	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)OCCCC(=O)C(=O)O	1608286937	FZRHVECEKBWAQM-GQCTYLIASA-N	294.259	1.088	10	20	CDCD	
Cn1nncc1CSc1ncc(C(=O)O)s1	1608169639	ZYWFJIZDJZRYSO-UHFFFAOYSA-N	256.312	1.262	10	20	CDCD	
CC(C)[C@@H](O)CN[C@H](C)c1cccc(-c2nn[nH]n2)c1O	1589959850	VZLVIDWYGJQTOW-SKDRFNHKSA-N	291.355	1.240	10	20	CDCD	
COc1cccc(CNC2CCC(O)CC2)c1O	19918702	VREGKZSDCSSFJG-UHFFFAOYSA-N	251.326	1.794	10	20	CDCD	
COc1cc(CN(C)[C@@H]2CCS(=O)(=O)C2)c(O)cc1C	159614329	NLEFHSWTNVFRJY-GFCCVEGCSA-N	299.392	1.328	10	20	CDCD	
CC[C@H](O)[C@@H]1CCCCN1C(=O)c1cccc(O)c1O	912119394	PDPZARGLIKJCOI-RYUDHWBXSA-N	279.336	1.863	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)NCCCC(=O)O	818475694	PDNASMAAOJNJON-UHFFFAOYSA-N	266.297	1.398	10	20	CDCD	
CCCn1nccc1C(=O)NCc1ccccc1O	830526391	LAHYOMFXQRNWGX-UHFFFAOYSA-N	259.309	1.929	10	20	CDCD	
CCOc1cccc(CN[C@H](C)[C@H](CO)SC)c1O	152486915	AIPRDVJCJDGSGZ-MFKMUULPSA-N	285.409	1.993	10	20	CDCD	
CC[C@H]1CO[C@H](C)CN1C(=O)Cc1ccc(N)cc1	36794527	KHLZQPBUQHUNJP-RISCZKNCSA-N	262.353	1.837	10	20	CDCD	
CN(Cc1cc2c(cc1O)OCO2)C[C@H]1CCOC1	176088376	IAKQSHZOSXBHCP-SNVBAGLBSA-N	265.309	1.589	10	20	CDCD	
CC[C@H](NCC(=O)N1CCOCC1)c1ccccc1O	183342804	NTDHQTZFHUAMRP-ZDUSSCGKSA-N	278.352	1.292	10	20	CDCD	
COc1cccc(CN2CCC[C@H](CCN)C2)c1O	70169534	MBHKMQAMCPCLTP-GFCCVEGCSA-N	264.369	1.962	10	20	CDCD	
COc1ccc(O)c([C@@H](C)N[C@@H]2CCNC(=O)CC2)c1	396729237	COTRUJLGIVJINC-MNOVXSKESA-N	278.352	1.720	10	20	CDCD	
NC(=O)[C@@H]1CC[C@H](NCc2cc(F)ccc2O)C1	825278554	FHPSUBOKHAZVDS-KCJUWKMLSA-N	252.289	1.275	10	20	CDCD	
COc1ccc(N2CCN(CCC(=O)O)CC2)c(OC)c1	7275291	BFRDHEBWMFFBIP-UHFFFAOYSA-N	294.351	1.301	10	20	CDCD	
Cc1cc(C(=O)NCc2ccc(N(C)C)c(F)c2)n(C)n1	58731644	GOHRPJPYZMLISI-UHFFFAOYSA-N	290.342	1.864	10	20	CDCD	
CC[C@@H](NC[C@@H]1COCCO1)c1ccccc1O	38060223	VOUZJJOSIHZPBA-DGCLKSJQSA-N	251.326	1.848	10	20	CDCD	
CCOc1cccc(CNC[C@H](C)N(C)C)c1O	38088865	BHFOBKBDBYOUMK-NSHDSACASA-N	252.358	1.831	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H]2C=C[C@H](CO)C2)c(O)c1O	182820186	XUPXXVMRRJXEEL-VHSXEESVSA-N	263.293	1.073	10	20	CDCD	
COc1ccc(O)c(CN2CC[C@@H](NC(C)=O)C2)c1	228356416	DLEVDSUFSXKDBL-GFCCVEGCSA-N	264.325	1.111	10	20	CDCD	
CCOc1cccc(CN[C@H]2CCN(CCOC)C2)c1O	264647394	WMLUWIMLXSDQHD-AWEZNQCLSA-N	294.395	1.601	10	20	CDCD	
COC(=O)C1(CNCc2cc3c(cc2O)OCO3)CC1	275288805	OHDYKBUWWKQPHB-UHFFFAOYSA-N	279.292	1.164	10	20	CDCD	
C[C@H](NC[C@]1(O)CCO[C@H]1C)c1cc([N+](=O)[O-])ccc1O	278662689	FMYFATXIMGGTFS-PKFCDNJMSA-N	296.323	1.491	10	20	CDCD	
CCn1ccnc1C(=O)N(C)Cc1ccccc1O	279327974	CMLJSJLTPLTJBY-UHFFFAOYSA-N	259.309	1.881	10	20	CDCD	
CC(C)(NCc1cc([N+](=O)[O-])ccc1O)C(=O)O	284306570	SDIPEHCARXBAGP-UHFFFAOYSA-N	254.242	1.253	10	20	CDCD	
Cc1cnc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)o1	291750187	LMNIGDYBNZNBQR-QMMMGPOBSA-N	276.292	1.755	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1C[C@@H](N)C1	565039856	HSEHYNKCUGKROG-PHIMTYICSA-N	275.352	1.215	10	20	CDCD	
C[C@@H]1C(=O)NCCN1Cc1cc(Cl)c(F)cc1O	816498657	FDIVHUVDDKIBEK-SSDOTTSWSA-N	272.707	1.505	10	20	CDCD	
C[C@@H]1CCNCC[C@@H]1NC[C@@H](N)c1ccc(N(C)C)cc1	817943018	SMWQORKTUNKDNX-XYPHTWIQSA-N	290.455	1.730	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)N[C@H]2CCCNC2)c1	817942370	YCIYDHLWNWGYKK-PWSUYJOCSA-N	278.352	1.581	10	20	CDCD	
CN(Cc1ccc2ccccc2c1O)CC(C)(CO)CO	816512963	ANJHSPSUFYGLRB-UHFFFAOYSA-N	289.375	1.968	10	20	CDCD	
C[C@@H](NCCN1CCNCC1)c1cc(F)cc(F)c1O	817945128	UYGVIMOTRSUNCM-SNVBAGLBSA-N	285.338	1.226	10	20	CDCD	
Nc1ccc(CCN[C@H](C2CC2)[C@H]2CNCCO2)cc1	817958842	ZOEIOAIPAOSHKF-HZPDHXFCSA-N	275.396	1.168	10	20	CDCD	
Cc1cc(O)c(CN[C@H]2CCS(=O)(=O)C2)cc1Cl	824477762	FHQLFXZFDAPGGK-JTQLQIEISA-N	289.784	1.631	10	20	CDCD	
COc1cc(CNC2(C(N)=O)CC2)c(O)c(C(C)(C)C)c1	825501859	SHVLENIPQLTBEG-UHFFFAOYSA-N	292.379	1.806	10	20	CDCD	
Cc1c[nH]nc1C(=O)N1CCOc2cc(N(C)C)ccc21	669606865	HPYOLFCZZPDBRQ-UHFFFAOYSA-N	286.335	1.823	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@@H](N)CC(F)F	829764241	HNTVLPLCWZINOR-LBPRGKRZSA-N	285.338	1.660	10	20	CDCD	
CN(C)c1ccc(CNc2cnccc2-c2nn[nH]n2)cc1	825878677	APGAYVHCZZTEKJ-UHFFFAOYSA-N	295.350	1.940	10	20	CDCD	
CC(C)CNC(=O)COC(=O)c1cc(O)cs1	731909170	BOLHHTBYHQZNID-UHFFFAOYSA-N	257.311	1.383	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)NCc2cocn2)c1	730829645	GXFUZJAZDSNJIS-VIFPVBQESA-N	291.307	1.949	10	20	CDCD	
CN(C)c1ccc([C@H](N)CNC(=O)COCC2CC2)cc1	832300150	NHHGQTHFDVZHFM-OAHLLOKOSA-N	291.395	1.295	10	20	CDCD	
O=C(CNC(=O)c1cc(O)cs1)OCc1ccccc1	731866016	PNBIQEFKRUKNMY-UHFFFAOYSA-N	291.328	1.927	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)c2nccnc2C)c1	830541073	RSJOUZVXSJEPBM-VIFPVBQESA-N	287.319	1.990	10	20	CDCD	
COc1cccc(CNC(=O)NCCCNC2CC2)c1O	841918681	UCQAMNSCSQYYQW-UHFFFAOYSA-N	293.367	1.342	10	20	CDCD	
Nc1ccc(NC(=O)c2cnc(C3CCNCC3)o2)cc1	911660695	NQILFVBPLWSXDX-UHFFFAOYSA-N	286.335	1.976	10	20	CDCD	
COc1cccc([C@H](C)NC[C@@H](O)CN2CCCC2)c1O	846147058	VFUMGHUEJAHAGE-QWHCGFSZSA-N	294.395	1.508	10	20	CDCD	
COC(=O)[C@H](CC1CC1)NC(=O)c1ccc(C)c(O)c1O	840498896	AMEMFMVFNVUNDZ-NSHDSACASA-N	293.319	1.478	10	20	CDCD	
O=C(O)[C@@]1(C(=O)NCc2ccccc2O)CC=CCC1	846703993	ZVBMVPWOTRMGSZ-HNNXBMFYSA-N	275.304	1.820	10	20	CDCD	
NCC[C@H](NCc1ccc(N2CCOCC2)cc1)C(F)F	841071937	JYIDDYBCMJLWRP-AWEZNQCLSA-N	299.365	1.595	10	20	CDCD	
COc1ccc(N(C)Cc2cn(CC(=O)O)nn2)cc1	846233991	GGPHAPFFJIXUCE-UHFFFAOYSA-N	276.296	1.008	10	20	CDCD	
[N-]=[N+]=NCc1ccc(C(=O)NC2CCOCC2)o1	1537963056	RPAFBRCCGFWFSD-UHFFFAOYSA-N	250.258	1.999	10	20	CDCD	
COC(=O)[C@@H]1C[C@@H](O)CN(Cc2cccc(C)c2O)C1	843434109	HTSCBRAVPCBCCE-CHWSQXEVSA-N	279.336	1.056	10	20	CDCD	
CCC1(CNC(=O)C(=O)Nc2ccc(N)cc2)CCC1	841065176	YNVZOCRAULMTED-UHFFFAOYSA-N	275.352	1.904	10	20	CDCD	
COc1cc(O)c(CN[C@@H](CCN)C(F)F)cc1OC	841073169	FCGQHPNVIVCCQG-VIFPVBQESA-N	290.310	1.482	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN[C@H]1CCCN(C)C1=O	840935480	QSRGXCOLVCMKRX-HNNXBMFYSA-N	275.396	1.771	10	20	CDCD	
NCc1ccc2c(c1)CCCN2C[C@@]12CNC[C@H]1C2	853246583	NABKRQMAFFVZFP-GDBMZVCRSA-N	257.381	1.507	10	20	CDCD	
CCN(CC)C(=O)[C@H](C)OC(=O)c1cccc(O)c1O	758559421	IURVWAQYKTYCSB-VIFPVBQESA-N	281.308	1.512	10	20	CDCD	
CNC[C@H](C)NC(=O)NCc1ccc2c(c1)CCCN2C	851656136	HLPVRULSSMADFZ-LBPRGKRZSA-N	290.411	1.476	10	20	CDCD	
COc1cccc(CN[C@@H]2CCCC[C@H]2O)c1O	51991446	ZNQKEXFMNJIXGY-VXGBXAGGSA-N	251.326	1.794	10	20	CDCD	
COc1cc(O)c(CN2CC[C@@H](C)[C@H](CO)C2)cc1OC	857062308	ZWGXQNQBCNUXFN-YPMHNXCESA-N	295.379	1.860	10	20	CDCD	
O=[N+]([O-])c1cc(Cl)cc(CNCCN2CCC2)c1O	752109259	ZHTLGQDSJXJHML-UHFFFAOYSA-N	285.731	1.749	10	20	CDCD	
C[C@@H](C(=O)NCc1ccc(N2CCOCC2)cc1)N(C)C	750017208	JSVLXVKGXZKOGO-ZDUSSCGKSA-N	291.395	1.090	10	20	CDCD	
COC[C@H]1CCN(Cc2ccc(N3CCOCC3)cc2)C1	769399835	VACZFOFXHPJGRX-INIZCTEOSA-N	290.407	1.992	10	20	CDCD	
CNC(=O)CCCN(C)Cc1cc(OC)c(C)cc1O	768461839	FZPPDNVAXLQVFT-UHFFFAOYSA-N	280.368	1.667	10	20	CDCD	
CCOCc1cc(CN[C@H](C(=O)O)[C@@H](C)O)ccc1OC	1119614258	YPQHWRDYIPPPOP-YGRLFVJLSA-N	297.351	1.155	10	20	CDCD	
COc1ccc(O)c(CN[C@H](C)COC(C)=O)c1	1120034142	YZIOKSMGTQLRIH-SECBINFHSA-N	253.298	1.442	10	20	CDCD	
C[C@H]1C[C@@H](NCCN2CCNC2=O)c2c(O)ccc(F)c21	886745230	RKEXEXHEVXRKAO-GXSJLCMTSA-N	293.342	1.694	10	20	CDCD	
CC(=O)NCC(C)(C)C(=O)NCc1ccc(N)cc1	1122535487	APSKFCCTMLHSLE-UHFFFAOYSA-N	263.341	1.047	10	20	CDCD	
COCCOC(=O)NCc1cc(Cl)ccc1O	885272034	KLTGYVKVQWMYTN-UHFFFAOYSA-N	259.689	1.918	10	20	CDCD	
COC[C@@H](NCc1cc(Cl)ccc1O)C(=O)OC	789577535	VTBJVFSSYVFLSY-SNVBAGLBSA-N	273.716	1.323	10	20	CDCD	
CC(C)N(C)C(=O)[C@@H](C)OC(=O)c1cc(O)cs1	783608129	NQVFFBOPCKZQPZ-MRVPVSSYSA-N	271.338	1.866	10	20	CDCD	
COc1cc(C)cc(CNCc2ccn(C)n2)c1O	894368579	LPAYTQDGRLGZMN-UHFFFAOYSA-N	261.325	1.733	10	20	CDCD	
Cc1ccc(O)c(CN2[C@H](C)C(=O)N[C@@H](C)[C@H]2C)c1	895118075	ZDFHWBWIELYTMI-QJPTWQEYSA-N	262.353	1.798	10	20	CDCD	
CO[C@H](C)CC(=O)OCC(=O)c1ccc(O)c(O)c1	783335913	FOPYRLOSAHGULJ-MRVPVSSYSA-N	268.265	1.249	10	20	CDCD	
COc1ccc(CN2CCO[C@@H](C)C2)c(O)c1OC	891543526	RSICIMIKCWTOIZ-JTQLQIEISA-N	267.325	1.630	10	20	CDCD	
COc1ccc(O)c(CN[C@H](C)CC[S@@](C)=O)c1	164758332	IRVGVIAJQGLVQS-MGNBDDOMSA-N	271.382	1.648	10	20	CDCD	
COc1ccc(CNC[C@H]2C[C@H](O)C2)c(O)c1OC	895938349	BQICXJNOGPSKAV-HOMQSWHASA-N	267.325	1.270	10	20	CDCD	
CC[C@H](NCc1nnn(C)n1)c1ccc(F)cc1O	796970560	CWPRXHOWZXKXFB-JTQLQIEISA-N	265.292	1.296	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2C[C@H](C)[C@H](O)C2)c1O	897679706	KXKHNTXPXOHPPS-GZMMTYOYSA-N	282.296	1.122	10	20	CDCD	
CCn1ccnc(NCc2ccc(OC)cc2O)c1=O	795284932	NOMLZBMHYDNOOG-UHFFFAOYSA-N	275.308	1.590	10	20	CDCD	
CO[C@@H](C)[C@@H](C)NC(=O)c1ccc(C)c(O)c1O	794001812	AHIKDULGGVPBGY-BDAKNGLRSA-N	253.298	1.559	10	20	CDCD	
COc1cccc(CN2C[C@@H](C)N(C)C[C@H]2C)c1O	775984590	GZFWCEUIBZBRGC-VXGBXAGGSA-N	264.369	1.925	10	20	CDCD	
Cc1ccc(O)c(CNS(=O)(=O)N2C[C@H]3CC[C@H]2C3)c1	1329239477	SVWALXFZGAKDKK-AAEUAGOBSA-N	296.392	1.519	10	20	CDCD	
Cc1ccnn1CC(=O)NCc1ccc2c(c1)CCCN2C	1329211369	XPRDKEFICQVTBV-UHFFFAOYSA-N	298.390	1.890	10	20	CDCD	
Cc1cnn([C@@H]2CCN(C(=O)NCc3ccc(N)cc3)C2)c1	1337070113	JLSZUNOWDBJMEO-OAHLLOKOSA-N	299.378	1.930	10	20	CDCD	
C[C@@H]1CCN1C(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1	1336458404	RTEXDHOKXAKXDY-GFCCVEGCSA-N	289.379	1.332	10	20	CDCD	
CNCCc1ccccc1C(=O)N1CCCc2n[nH]cc21	1343390068	LFCICONPSZCIAI-UHFFFAOYSA-N	284.363	1.765	10	20	CDCD	
C[C@@H]1COC[C@@H]1NC(=O)NCCc1ccc(N)cc1	1262585243	XEOWCHGWUAZOKX-MFKMUULPSA-N	263.341	1.145	10	20	CDCD	
O=C(O)[C@H]1CCC[C@H]1NCc1ccc2c(c1)CCO2	1608624764	LZQDOSGEYLQSLA-QWHCGFSZSA-N	261.321	1.964	10	20	CDCD	
Cc1ccc(O)c(CN2CCc3[nH]nc(C(=O)O)c3C2)c1	1610509192	AHMHAACIWRKJBQ-UHFFFAOYSA-N	287.319	1.680	10	20	CDCD	
O=C(O)[C@@H]1CN(C(=O)c2cc(O)cs2)C[C@H]1C1CC1	1574776721	JGGZZBYVBKRICV-VHSXEESVSA-N	281.333	1.637	10	20	CDCD	
C[C@H]1CN(Cc2cc3c(cc2O)OCO3)C[C@]1(C)C(=O)O	1599930114	PVPIPXDEMANTFE-VFZGTOFNSA-N	293.319	1.664	10	20	CDCD	
CC[C@H](C)[C@H](NC(=O)CN(C)c1ccc(N)cc1)C(=O)O	1594887175	JQYRUSVPRVLXTH-HZMBPMFUSA-N	293.367	1.321	10	20	CDCD	
CS(=O)(=O)Cc1nc(-c2ccc(O)c(O)c2)cs1	151780458	LQBHHVSFQSOLHG-UHFFFAOYSA-N	285.346	1.766	10	20	CDCD	
Cn1cc(/C=C2/SC(NC3CCCC3)=NC2=O)cn1	208569293	UWYUSUHEAQLUSR-IZZDOVSWSA-N	276.365	1.923	10	20	CDCD	
CC(C)[C@@H](CN(C)C)NC(=O)c1cccc(O)c1O	126306708	BILNMOFJUKGVAF-LLVKDONJSA-N	266.341	1.414	10	20	CDCD	
COc1ccc(O)c([C@@H](C)N[C@H]2C[C@H](CO)C2)c1	927148982	WGGLFRIICYBWBK-GMTAPVOTSA-N	251.326	1.822	10	20	CDCD	
CCOc1ccc(N2CCN(C[C@@H](C)O)CC2)cc1	1261298068	YGHRKLZWGBZCIP-CYBMUJFWSA-N	264.369	1.588	10	20	CDCD	
C[C@@H](CNC(=O)N(C)Cc1ccccc1O)C(=O)O	848587853	YPFNPUWPKGUFHJ-VIFPVBQESA-N	266.297	1.254	10	20	CDCD	
Cc1ccc([C@H](C)NC[C@]2(O)CCO[C@H]2C)c(O)c1	278681556	GJMZUVSBLACKKG-SLEUVZQESA-N	265.353	1.891	10	20	CDCD	
CC(C)[C@H]1NCC[C@H]1C(=O)N(C)Cc1ccccc1O	289561379	LAHHIRWOCQLBMZ-UKRRQHHQSA-N	276.380	1.985	10	20	CDCD	
CC1(C)CC[C@H](CO)N(C(=O)c2cccc(O)c2O)C1	701647872	CGUCCXXUGXIHQO-SNVBAGLBSA-N	279.336	1.721	10	20	CDCD	
CN1CCCc2cc(CNc3ccc4nnnn4n3)ccc21	58555588	YQRPXKHGWDRMTJ-UHFFFAOYSA-N	295.350	1.514	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2ccnc(F)c2)c1	114541931	ZGXHANIRASUYLY-UHFFFAOYSA-N	276.267	1.865	10	20	CDCD	
Nc1ccc(NC(=O)Cn2nnc(-c3ccccc3)n2)cc1	20028088	IPZNERQADGXZBM-UHFFFAOYSA-N	294.318	1.561	10	20	CDCD	
COc1ccc(N(C)C[C@H](O)CSC)c(OC)c1	188124639	ALKGKJJELOKSGD-JTQLQIEISA-N	271.382	1.864	10	20	CDCD	
COC[C@@H](O)CCN[C@@H](C)c1cc(F)ccc1O	186203490	ANBAXSPDMFCXHQ-ONGXEEELSA-N	257.305	1.579	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)CCc1cnn(C)c1	48698474	QBUWAEGVPBEKOJ-UHFFFAOYSA-N	273.336	1.717	10	20	CDCD	
COc1ccc(C(=O)N(C)Cc2ccccc2O)nn1	130523315	BYTFCKCIPBYIGD-UHFFFAOYSA-N	273.292	1.463	10	20	CDCD	
CCOc1cccc(CN[C@@H]2C(=O)NCC[C@H]2C)c1O	193693961	IVGFXLPJLQSBPU-MFKMUULPSA-N	278.352	1.405	10	20	CDCD	
COc1cccc(CN2CC[C@@H](C(=O)O)C2)c1O	86789836	DLBLZTZKLATQMG-SNVBAGLBSA-N	251.282	1.307	10	20	CDCD	
COC(=O)[C@H]1CC[C@@H](NCc2cc(OC)ccc2O)C1	193494597	UJAYPEGYFODEDM-CMPLNLGQSA-N	279.336	1.832	10	20	CDCD	
CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccc(N)cc1	236848833	GMSSRTSCXOIEJB-CVEARBPZSA-N	287.407	1.897	10	20	CDCD	
COc1ccc(CNCC[C@H]2CCOC2)c(O)c1	230163422	CDGHIYUFGGEAQN-NSHDSACASA-N	251.326	1.917	10	20	CDCD	
COC(=O)C[C@H](C)NC(=O)/C=C/c1ccc(O)c(O)c1	272388503	GOQDZAIBYSMIET-DNQSNQRASA-N	279.292	1.179	10	20	CDCD	
Oc1ccc(F)cc1CN1CC[C@@](O)(C2CC2)C1	376040732	BZAPAWFNZDJITL-AWEZNQCLSA-N	251.301	1.878	10	20	CDCD	
C[C@H](OC[C@H]1CCCO1)C(=O)NCc1ccc(O)c(O)c1	272270462	DAVVOGMAXXTHGE-CMPLNLGQSA-N	295.335	1.298	10	20	CDCD	
CCN(Cc1cc(OC)c(OC)cc1O)[C@H]1CCNC1=O	281764783	LTONALMZNSUZJB-NSHDSACASA-N	294.351	1.120	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@](C)(O)C2CC2)cc1	288442526	SKYGQFYDEWSSQJ-OAHLLOKOSA-N	262.353	1.530	10	20	CDCD	
CN1CCCN(CCCNCc2ccccc2O)CC1	729684951	YOGZVFWUTCBYAD-UHFFFAOYSA-N	277.412	1.509	10	20	CDCD	
CC[C@@H](C(=O)N[C@H](C)c1ccccc1O)N(C)C	827937438	WTLPLAVKDLSMPN-PWSUYJOCSA-N	250.342	1.910	10	20	CDCD	
COc1ccc(O)c(CN2CCN([C@H]3CCOC3)CC2)c1	827119809	NZNOKFXSNUMNPD-AWEZNQCLSA-N	292.379	1.307	10	20	CDCD	
COc1ccc(CNC(=O)[C@@H]2[C@H]3CCC(=O)[C@@H]32)c(O)c1	907924967	BCZGCCPVWFCMFK-ZLKJLUDKSA-N	275.304	1.242	10	20	CDCD	
C[C@@H]1CN(CCN[C@@H]2CCc3cccc(O)c32)CCO1	834567226	ZTCFWUZVSKIQEC-TZMCWYRMSA-N	276.380	1.690	10	20	CDCD	
CCc1nnc(C(=O)NCc2ccccc2O)s1	901122003	BJQQUYIOCCOYRC-UHFFFAOYSA-N	263.322	1.736	10	20	CDCD	
COc1ccc(CNC(=O)[C@H](C)[C@H](C)N)c(O)c1	832178803	XJZGPYNBXTZVPG-BDAKNGLRSA-N	252.314	1.000	10	20	CDCD	
COc1ccc(CNC(=O)[C@@H]2NCC2(C)C)c(O)c1	832177620	CAMFCIYKZXSABT-LBPRGKRZSA-N	264.325	1.015	10	20	CDCD	
COC[C@@H](NC(=O)NCc1cc(OC)ccc1O)C(C)C	745819482	DKABZULBKLIFEI-CYBMUJFWSA-N	296.367	1.871	10	20	CDCD	
CCn1nc(C)c(C(=O)NCc2ccc(O)cc2O)c1C	910954506	KRBALGRSEGDLNH-UHFFFAOYSA-N	289.335	1.861	10	20	CDCD	
CCCN(CCO)C(=O)NCCc1ccc(N)cc1	841961956	IHYCOQZKNKNHRB-UHFFFAOYSA-N	265.357	1.225	10	20	CDCD	
CCONC(=O)CNCc1cc(C)c(C)cc1O	846088145	IACZSCMQMJGOFX-UHFFFAOYSA-N	252.314	1.166	10	20	CDCD	
Oc1c(F)cccc1CN[C@@H]1CNCCC1(F)F	841074026	BBBUPFXDZXQSIM-SNVBAGLBSA-N	260.259	1.618	10	20	CDCD	
O=C(NCc1ccccc1O)c1ccc(-n2ccnc2)nc1	748345639	GLCRVEYXOJPPBM-UHFFFAOYSA-N	294.314	1.903	10	20	CDCD	
C[C@H](C(=O)O)C(=O)NCc1ccc(N2CCCC2)cc1	842569804	LAOZQLJXFVCBPI-NSHDSACASA-N	276.336	1.624	10	20	CDCD	
N[C@@H]1CCC[C@H](NCc2ccc(N3CCOCC3)cc2)C1	841055629	SYBNDDUGMIPMIX-CVEARBPZSA-N	289.423	1.883	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)C(C)(C)C(=O)O)c1	843328745	MUPBERQMHMFZSK-QMMMGPOBSA-N	281.308	1.689	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CC[C@H](N)[C@@H](C)C2)c1O	843353599	LSBZDDDXXVZQCL-XPTSAGLGSA-N	280.343	1.903	10	20	CDCD	
COc1ccc(N(C)CCN(C)Cc2n[nH]c(C)n2)cc1	844400783	FAXSDUPRLYKYCJ-UHFFFAOYSA-N	289.383	1.690	10	20	CDCD	
C[C@H](NC(=O)[C@H]1CC[C@H]1C(N)=O)c1ccc(N(C)C)cc1	847760397	JQXPDYUFVJDTOU-GDLCADMTSA-N	289.379	1.441	10	20	CDCD	
CCn1nncc1CN(C)c1ccc(OCC(=O)O)cc1	846279836	NFEXMNIAMSVMNO-UHFFFAOYSA-N	290.323	1.398	10	20	CDCD	
CC(=O)c1cc(Cl)cc(CN2C[C@@H]3CNC[C@@H]3C2)c1O	750040184	UHCJVRNVLMZAID-TXEJJXNPSA-N	294.782	1.899	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCO[C@@H]1CN	852882632	NFDODTPHKQMNAP-HUUCEWRRSA-N	291.395	1.075	10	20	CDCD	
COC1(C(=O)NCc2ccc(O)c(O)c2)CCCC1	754666189	XPBVHTZSQQGTEF-UHFFFAOYSA-N	265.309	1.673	10	20	CDCD	
COC(=O)C1(CNC(=O)c2cc(O)cs2)CCCC1	752813067	PGLGVOWHEFOZBN-UHFFFAOYSA-N	283.349	1.917	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)N[C@@H]2C(=O)NCC[C@H]2C)c1	858424996	CJAYTWMRHCMRFG-MFKMUULPSA-N	291.351	1.024	10	20	CDCD	
c1cc(N2CCOCC2)ccc1CNCCN1CCC1	697357955	HRWPCUOFCGBZEK-UHFFFAOYSA-N	275.396	1.319	10	20	CDCD	
Cc1cc(CN2C[C@H](O)[C@@H](O)C2)ccc1N1CCCCC1	859455101	VTWKRVDBLRZACT-IRXDYDNUSA-N	290.407	1.523	10	20	CDCD	
C[C@@H]1C[C@@H](NCCN2CC[C@H](O)C2)c2c(O)ccc(F)c21	858601079	BJFPSVWJTNVURJ-NTZNESFSSA-N	294.370	1.736	10	20	CDCD	
C[C@H](NCC1(O)CCC1)c1cc([N+](=O)[O-])ccc1O	756562725	JAZJETCRTZDZKD-VIFPVBQESA-N	266.297	1.866	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@H](C)NC(=O)C(C)(C)C)c1	862759760	KRKFJFZPNVZQJX-NSHDSACASA-N	292.379	1.868	10	20	CDCD	
CCN(CCOC)Cc1cc2c(cc1O)OC[C@H]2O	768441231	XLFQGRWVQNSLNP-CYBMUJFWSA-N	267.325	1.286	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)CC2OCCCO2)c1	862757442	UQHJEZZJCQHVGT-UHFFFAOYSA-N	265.309	1.470	10	20	CDCD	
COC[C@@H](C)CC(=O)NCc1ccc(O)c(O)c1	778919490	FPBGROBXDOWYSU-VIFPVBQESA-N	253.298	1.387	10	20	CDCD	
CCN1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1	873723223	WMIQKYGYEIQTJN-UHFFFAOYSA-N	289.339	1.627	10	20	CDCD	
COc1cc(O)c(CN2C[C@H]3CNC[C@@H]3C2)cc1OC	775748392	XZWHXOWRUOAIKC-VXGBXAGGSA-N	278.352	1.061	10	20	CDCD	
COc1ncc(/C=C/C(=O)N2CCc3ncccc32)cn1	773857444	KILLHKOVNXMEJB-SNAWJCMRSA-N	282.303	1.483	10	20	CDCD	
C[C@@H]1CO[C@H](CO)CN1Cc1cc(F)ccc1O	779034167	PLBNUSKYTILRCJ-SKDRFNHKSA-N	255.289	1.113	10	20	CDCD	
CC(C)[C@@H](C(=O)N(C)c1ccc(N)cc1)N1CCCC1=O	877078205	IAMVSWGDDXKCHH-HNNXBMFYSA-N	289.379	1.879	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NCc1cc[nH]n1	779498937	RRQPDZLRAKMPAC-DUXPYHPUSA-N	259.265	1.151	10	20	CDCD	
COc1cc(O)c(CN2CCNC(C)(C)C2)cc1OC	775665706	JZBVQZHBUNONNV-UHFFFAOYSA-N	280.368	1.593	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)NCc1cnccn1	1123733657	LELZZHLNJACREG-UHFFFAOYSA-N	299.378	1.850	10	20	CDCD	
CCCN1CC(=O)N[C@@H]1c1cc(F)cc(F)c1O	887329991	VGTURJFMISNLBU-LBPRGKRZSA-N	256.252	1.511	10	20	CDCD	
CC(C)(C)N1CC[C@@H]1C(=O)NCCc1ccc(O)c(O)c1	897067071	FLFDIBINJKTFJR-GFCCVEGCSA-N	292.379	1.629	10	20	CDCD	
CN(Cc1ccccc1O)Cc1oncc1C(=O)O	1598530667	QKTLIHGJGGZSCE-UHFFFAOYSA-N	262.265	1.710	10	20	CDCD	
O=C(CNCc1c(O)ccc(Cl)c1F)NC1CC1	790949202	DZXCHPQLQKWYBU-UHFFFAOYSA-N	272.707	1.553	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1cnnn1C	798441682	YLDPQLGUGKHLGK-UHFFFAOYSA-N	273.340	1.120	10	20	CDCD	
CN1CCN(Cc2ccc(N3CCCC3)cc2)CC1=O	1204320417	XXLGOGRWCZTDHL-UHFFFAOYSA-N	273.380	1.561	10	20	CDCD	
C[C@H](N)[C@H]1CCN(C(=O)NCc2ccc(N)cc2)C1	1338793757	UVOUVBWIVOCEDP-JQWIXIFHSA-N	262.357	1.148	10	20	CDCD	
COC(=O)c1cnc(SC[C@H]2CNC(=O)C2)s1	1333288437	DSYBWEAKGUTWKG-ZCFIWIBFSA-N	272.351	1.158	10	20	CDCD	
Nc1ccc(CNC(=O)NCC[C@@H]2CCNC2)cc1	1353416682	QZKOFTQDUPCBEG-LBPRGKRZSA-N	262.357	1.068	10	20	CDCD	
C[C@H](N[C@H]1C[C@H](C(N)=O)C1)c1cc(C(=O)O)ccc1O	1604364593	RXARYTIPDFRNKW-HGNGGELXSA-N	278.308	1.005	10	20	CDCD	
CC[C@@H](NC)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	1577172271	RVKJPJJYFRDAIJ-SMDDNHRTSA-N	263.385	1.928	10	20	CDCD	
CN(Cc1ccccc1O)c1nnc(C2CC2)n1CCN	1578496800	UIYSDPSJHVQZLO-UHFFFAOYSA-N	287.367	1.456	10	20	CDCD	
O=C(O)[C@@H](NCc1ccc(N2CC[C@@H](O)C2)cc1)C1CC1	1777591861	HIQNWHQQHHRYSD-CABCVRRESA-N	290.363	1.210	10	20	CDCD	
Cc1nccnc1CNCc1ccc(C(=O)O)cc1O	1777535312	XCEFVVKEOTZKFK-UHFFFAOYSA-N	273.292	1.479	10	20	CDCD	
COCCN1CCC(NC(=O)Cc2ccc(N)cc2)CC1	165845138	HZXRVVHZJHCSDA-UHFFFAOYSA-N	291.395	1.038	10	20	CDCD	
Cc1ccc2ncc(C=C3C(=O)N(C)C(=O)N(C)C3=O)n2c1	151375220	JRIAXWSYUPTINA-UHFFFAOYSA-N	298.302	1.077	10	20	CDCD	
O=C(CSc1nncs1)c1ccc(O)c(O)c1	7194616	VZCUBAZJIQKMRO-UHFFFAOYSA-N	268.319	1.924	10	20	CDCD	
CCOc1cccc(CNCC[C@H](O)COC)c1O	153754842	BXHLBQPNJQUSHM-LBPRGKRZSA-N	269.341	1.278	10	20	CDCD	
Nc1ccc(CC(=O)NC2CCN(C3CC3)CC2)cc1	37042439	ICSVYMBYDLZPDR-UHFFFAOYSA-N	273.380	1.554	10	20	CDCD	
CO[C@@H]1CCCN(C(=O)c2cccc(O)c2O)CC1	365699820	FMEAYOXLJKGVCG-SNVBAGLBSA-N	265.309	1.739	10	20	CDCD	
C[C@@H]1COCCCN1Cc1cc2c(cc1O)OCO2	398948056	QMEIWCQKASNFDZ-SNVBAGLBSA-N	265.309	1.732	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)[C@@H]1C[C@@H]1C(=O)OC	171198099	YCQWDZYAQGFSQX-OLZOCXBDSA-N	291.347	1.940	10	20	CDCD	
CC(=O)NC[C@@H]1CN(Cc2cc(C)ccc2O)CCO1	179716576	HWFRGMIJUMTOPE-CQSZACIVSA-N	278.352	1.038	10	20	CDCD	
CN(CC(=O)Nc1nncs1)Cc1ccccc1O	171937382	NUPYOQVKYVHMRQ-UHFFFAOYSA-N	278.337	1.314	10	20	CDCD	
COc1cccc(CNC(=O)Nc2cccnn2)c1O	120365287	JKCYWPMWQQVEDG-UHFFFAOYSA-N	274.280	1.513	10	20	CDCD	
C[C@H](NCC(C)(C)C(N)=O)c1cc(F)ccc1O	186221813	JINJETSFHJDQID-QMMMGPOBSA-N	254.305	1.693	10	20	CDCD	
CC[C@@H](NCCCS(C)(=O)=O)c1ccccc1O	38047108	FWLPMGPAPIFRDQ-GFCCVEGCSA-N	271.382	1.868	10	20	CDCD	
Cc1ccc(O)c(CN[C@@H](C)CC[S@](C)=O)c1	125533908	ICQSPVCOXRWSKV-APPDUMDISA-N	255.383	1.947	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)/C=C/c1cnn(C)c1	120256306	VOFQRDNYKDQYIF-BQYQJAHWSA-N	271.320	1.798	10	20	CDCD	
COc1cc(O)c(CN[C@@H]2CCCC[C@H]2O)cc1OC	187675222	HOJZWTPDUJSGMX-VXGBXAGGSA-N	281.352	1.803	10	20	CDCD	
COc1cccc(CNC(=O)NCC2CC2)c1O	73587406	IBSSGWVANBGTNO-UHFFFAOYSA-N	250.298	1.610	10	20	CDCD	
Nc1ccc(CC(=O)N[C@H]2CCc3[nH]ncc3C2)cc1	82284204	FUTSIOQBCOHHFG-ZDUSSCGKSA-N	270.336	1.208	10	20	CDCD	
CN1C(=O)C(=Cc2cc(Cl)cs2)C(=O)N(C)C1=O	195221194	OGRPDECHBICWPW-UHFFFAOYSA-N	284.724	1.835	10	20	CDCD	
COc1cccc(CN2CCC[C@@H]2c2nncn2C)c1O	93810187	CZCNPSGIDZIIRV-GFCCVEGCSA-N	288.351	1.866	10	20	CDCD	
COC(=O)NC(C)(C)C(=O)NCc1cccc(OC)c1O	269128339	ACEWDQLSNYQVKC-UHFFFAOYSA-N	296.323	1.152	10	20	CDCD	
COc1cccc(CNC(=O)C(=O)C(C)(C)C)c1O	269136309	DGHGDEBJVPZRJC-UHFFFAOYSA-N	265.309	1.632	10	20	CDCD	
CC[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(OC)c2O)C[C@H]1O	278565121	BTEGMXPVDCWUAG-BXKDBHETSA-N	296.323	1.512	10	20	CDCD	
CCOc1ccc(O)c([C@@H]2NC(=O)[C@@H]3CSCCN32)c1	270815698	QVAKDRYTNWTNNO-WCQYABFASA-N	294.376	1.337	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNCc2ccn(C)c2)c1O	278508404	PGRPYGJRJOOKLZ-UHFFFAOYSA-N	291.307	1.937	10	20	CDCD	
CCOc1ccc(O)c(CN2CC[S@@](=O)C[C@@H](C)C2)c1	277586295	UKVZSCYMMOLYIV-FKIZINRSSA-N	297.420	1.991	10	20	CDCD	
COc1cccc(CNC(=O)[C@@H]2O[C@H](C)C[C@@H]2C)c1O	282633038	YTSDYOPXQTVSON-IMSIIYSGSA-N	279.336	1.831	10	20	CDCD	
Oc1ccccc1CN[C@H]1COc2ccccc2[C@@H]1O	288570454	MYDKWFCEEPWVCU-BBRMVZONSA-N	271.316	1.976	10	20	CDCD	
Oc1ccccc1CN[C@H]1COc2ccccc2[C@H]1O	288570464	MYDKWFCEEPWVCU-XJKSGUPXSA-N	271.316	1.976	10	20	CDCD	
CCOc1ccc(N(CC)CC(=O)N2CCOCC2)cc1	299405104	NBEOJQZENCRRAU-UHFFFAOYSA-N	292.379	1.770	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@H]2COC[C@@H]2OC)c1	290237412	SIEYAGNIRJMYIO-WFBYXXMGSA-N	295.335	1.243	10	20	CDCD	
COc1ccc(CNc2nc(OC)cc(OC)n2)c(O)c1	804683470	XVSIBERPHWFPED-UHFFFAOYSA-N	291.307	1.820	10	20	CDCD	
Cc1ccc(C(=O)N2CCC[C@@H]2CF)c(O)c1O	294499273	XWZDSUQCZWSUEU-SECBINFHSA-N	253.273	1.980	10	20	CDCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NCCS(C)(=O)=O	819373101	BFUDJVAJVHXMIA-ZDUSSCGKSA-N	298.452	1.626	10	20	CDCD	
CN1CC[C@@H](C(=O)N(C)Cc2ccc(N(C)C)cc2)C1	729282139	LBFPDDNHYRVADY-CQSZACIVSA-N	275.396	1.663	10	20	CDCD	
C[C@H](C[C@H]1CCOC1)NC(=O)c1c(F)ccc(O)c1O	826908891	HBZCOHCEKREFKR-RKDXNWHRSA-N	283.299	1.782	10	20	CDCD	
CC[C@H](O)[C@@H](C)C(=O)N1CCOc2cc(N(C)C)ccc21	900894950	KOUGWYBVWILNSR-RISCZKNCSA-N	292.379	1.885	10	20	CDCD	
COC[C@@](C)(CC(=O)O)NCc1ccc2c(c1)CCO2	831577046	AHDQQEPGRNFRCX-OAHLLOKOSA-N	279.336	1.591	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2ccc(OC)nc2)c1	734016580	TYPKBNUSRIHVII-UHFFFAOYSA-N	288.303	1.734	10	20	CDCD	
COc1ccc(O)c(CNC2(CO)CCSCC2)c1	839182443	PFJAWUXIECIGFD-UHFFFAOYSA-N	283.393	1.749	10	20	CDCD	
CC(C)=CC(=O)N(CC(=O)O)Cc1ccccc1O	911484776	PZPXOTXGOGRWHT-UHFFFAOYSA-N	263.293	1.772	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCN(C2CCOCC2)CC1	747513424	AYKYVIOJALNXAX-UHFFFAOYSA-N	296.392	1.391	10	20	CDCD	
CN1CCCN=C1NCc1cc(Cl)ccc1O	849050310	ZCNZEEWTYAQHFP-UHFFFAOYSA-N	253.733	1.827	10	20	CDCD	
C[C@H](O)CC(C)(C)CNC(=O)NCCc1ccc(N)cc1	841835024	MOKMGIGNFLJROA-LBPRGKRZSA-N	293.411	1.908	10	20	CDCD	
COc1cccc([C@H](C)NCCCn2cncn2)c1O	846162960	NIDFEJPNATVPQT-NSHDSACASA-N	276.340	1.733	10	20	CDCD	
Nc1ccc(CC(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cc1	843495882	UXKIRUMEQUCWPE-BMFZPTHFSA-N	286.375	1.885	10	20	CDCD	
Cc1n[nH]c(C)c1/C=C1\SC(N2CCOCC2)=NC1=O	915988119	QVDFMYVASXDMFB-XFFZJAGNSA-N	292.364	1.329	10	20	CDCD	
Cc1ccc(C(=O)NN2CCCC[C@H]2C)c(O)c1O	912143383	ATCKUVBBGIXCNS-SNVBAGLBSA-N	264.325	1.925	10	20	CDCD	
C[C@H]1CN(C(=O)NCCc2ccc(N)cc2)[C@H](C)CO1	841960776	WXBHNDKFSSELRX-NEPJUHHUSA-N	277.368	1.630	10	20	CDCD	
CC(C)(CO)CCNC(=O)NCCc1ccc(N)cc1	841955810	OFQZNDAMGHZNDV-UHFFFAOYSA-N	279.384	1.519	10	20	CDCD	
Fc1cc(CNC[C@@H]2CCCN2)ccc1N1CCOCC1	841037051	YGCCOOHBJCISJW-AWEZNQCLSA-N	293.386	1.504	10	20	CDCD	
C[C@@H](CO)N(C)c1ccc(/C=C\C(=O)O)cc1[N+](=O)[O-]	844211400	ONQKIVCDKYKTAW-RNEXMXFGSA-N	280.280	1.510	10	20	CDCD	
C[C@@H](N[C@@H]1COC[C@H]1O)c1ccc(Cl)cc1O	841757706	PNFUXXMTUGXDER-NYRNMGCKSA-N	257.717	1.456	10	20	CDCD	
Nc1ccc(CCNC(=O)N2CCC(F)(F)C2)cc1	841960595	TXIYMBHYMKZZTM-UHFFFAOYSA-N	269.295	1.862	10	20	CDCD	
CON(C)C(=O)[C@@H](C)N[C@H](C)c1ccc(C)cc1O	858587942	SOZXKBWPIJJNEE-GHMZBOCLSA-N	266.341	1.760	10	20	CDCD	
CCOc1nc(C(=O)NCc2cc(OC)ccc2O)co1	753986822	PLZXKRZBHNCOGS-UHFFFAOYSA-N	292.291	1.718	10	20	CDCD	
COC[C@H](O)CCNCc1cc(F)c(N(C)C)cc1F	858154949	WNZIWQSGAWSKLS-LLVKDONJSA-N	288.338	1.518	10	20	CDCD	
CN(C)c1ccc(CN2CCC(O)(CO)CC2)cc1	852500125	HYFNUZBSFCVLQU-UHFFFAOYSA-N	264.369	1.072	10	20	CDCD	
Cc1cc(C(=O)OCCC(N)=O)c(C)n1-c1ccccn1	759557837	UUPOXRDILDZGJS-UHFFFAOYSA-N	287.319	1.521	10	20	CDCD	
CC(C)CC[C@H](CO)NC(=O)c1c(F)ccc(O)c1O	863936914	BTJLWCJUBUQERS-SECBINFHSA-N	285.315	1.764	10	20	CDCD	
C[C@H]1COCCN(Cc2cc3c(cc2O)OC[C@@H]3O)C1	768465949	UEPULPRSCUDMFS-YGRLFVJLSA-N	279.336	1.286	10	20	CDCD	
CN(CC1(CS(C)(=O)=O)CC1)c1ccc2c(c1)OCO2	767478031	ACLFCVAOQWJTOD-UHFFFAOYSA-N	297.376	1.676	10	20	CDCD	
CN(C)c1cc(F)c(CN2CCC[C@@H](C(N)=O)C2)cc1F	862210345	IMMSAEXOINTDRH-SNVBAGLBSA-N	297.349	1.728	10	20	CDCD	
Cc1ccc(/C=C2/SC(=S)N(CC(=O)O)C2=O)cn1	764887490	MZARUARZUXYEQD-RUDMXATFSA-N	294.357	1.676	10	20	CDCD	
CC(=O)c1cc(Cl)cc(CN2C[C@@H]3C[C@H]2CN3)c1O	866679332	NSLHKBHIUWWPHF-RYUDHWBXSA-N	280.755	1.794	10	20	CDCD	
COC(=O)CCCC(=O)N[C@@H](C)c1cc(OC)ccc1O	764462334	MZOSEKKSBMVFMK-JTQLQIEISA-N	295.335	1.921	10	20	CDCD	
OCC1(CO)CCN(Cc2cc(F)ccc2O)CC1	877798247	JZAQUKTWJOZZJY-UHFFFAOYSA-N	269.316	1.098	10	20	CDCD	
Cc1ccc(CN[C@@H]2CC(=O)N(C(C)C)C2)c(O)c1	877050130	FRDOEXLIZWFEST-CYBMUJFWSA-N	262.353	1.800	10	20	CDCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NCCN1CCNCC1	1118058062	ITLXDWKYCGQFEX-KGLIPLIRSA-N	289.423	1.744	10	20	CDCD	
C[C@H](O)C1(NCc2ccc(N3CCC(O)CC3)cc2)CC1	877637509	JOTMAOCKMFKWFH-ZDUSSCGKSA-N	290.407	1.651	10	20	CDCD	
Cc1cccc(O)c1CN1CC[C@@H](CN2CCOCC2)C1	876768490	WIDYZQYBANPBSQ-HNNXBMFYSA-N	290.407	1.855	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)c1cnc(N(C)C)cn1	770551389	AGPYNVOLBBDLSG-UHFFFAOYSA-N	286.335	1.520	10	20	CDCD	
COc1cc(C)cc(CN2CC[C@H](n3cncn3)C2)c1O	776774680	FFMBYDXWLDCUGU-ZDUSSCGKSA-N	288.351	1.748	10	20	CDCD	
COCCOCCN[C@@H](C)c1c(O)cccc1F	886512258	APEPSVKWWYRUDU-JTQLQIEISA-N	257.305	1.845	10	20	CDCD	
C[C@H](NCCCC(=O)NC(N)=O)c1ccc(N(C)C)cc1	775837495	TVLLUDNOBFBWMI-NSHDSACASA-N	292.383	1.378	10	20	CDCD	
O=C(COC(=O)[C@H]1C[C@]12CCOC2)c1ccc(O)c(O)c1	784728877	LKFVWGUGGVSCOT-BMIGLBTASA-N	292.287	1.250	10	20	CDCD	
CN(Cc1ccccc1O)c1nnc(C[S@](C)=O)n1C	1121381583	IIRVPUULIWWKAM-FQEVSTJZSA-N	294.380	1.036	10	20	CDCD	
CN(Cc1cn(C)nn1)Cc1cc(F)cc(F)c1O	895277866	NEKMMYZEJRCAKM-UHFFFAOYSA-N	268.267	1.431	10	20	CDCD	
COc1cc(C)cc(CN[C@@H](C)CO[C@H]2CCOC2)c1O	894338718	JNYJPQNWBGICMZ-JSGCOSHPSA-N	295.379	1.993	10	20	CDCD	
COc1ccc(CN[C@H]2COC[C@H]2C)c(O)c1OC	896733152	NQDHMSUACGKVEQ-KOLCDFICSA-N	267.325	1.534	10	20	CDCD	
COc1ccc(CN2CCC(C)(O)CC2)c(O)c1OC	892054973	FEGRIYRWDGUKTI-UHFFFAOYSA-N	281.352	1.756	10	20	CDCD	
CCN1C[C@H](C)N(C(=O)c2ccc(C)c(O)c2O)C[C@H]1C	781001860	QMVMLMUJYBWVGH-NEPJUHHUSA-N	292.379	1.961	10	20	CDCD	
C[C@@H]1CN(C(=O)c2cc(O)cs2)C[C@@]2(CCCOC2)O1	796498685	PHFNVJKMHOWQGP-QMTHXVAHSA-N	297.376	1.864	10	20	CDCD	
COc1ccc(CNC(=O)N[C@@H]2CCSC2)c(O)c1	792965673	OYMIJVMZNXJNLU-SNVBAGLBSA-N	282.365	1.706	10	20	CDCD	
COc1ccc(CNC(=O)Nc2ccn(C)n2)c(O)c1	797620767	MZSMNDMQOFJZAP-UHFFFAOYSA-N	276.296	1.456	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)C(=O)N1CCC[C@H](F)C1	1327336745	JKVGCAOFOKIIST-LBPRGKRZSA-N	294.326	1.311	10	20	CDCD	
CC(=O)CN(C(=O)c1ccc(C)c(O)c1O)C(C)C	1351994474	ANIKYOABMNTMGJ-UHFFFAOYSA-N	265.309	1.846	10	20	CDCD	
CC(C)C[C@@](C)(CN)C(=O)NCc1c(O)cccc1O	1575533624	CSTUXBXQLHLUPL-HNNXBMFYSA-N	280.368	1.725	10	20	CDCD	
C[C@H](CNCc1ccc2c(c1)CCO2)[C@H](F)C(=O)O	1776425511	AUEOQXXYIPDPDH-RNCFNFMXSA-N	267.300	1.770	10	20	CDCD	
C[C@@H](NC1CCS(=O)CC1)c1ccccc1O	157947199	BDLMDFQUYMVJAU-LJRHVDQYSA-N	253.367	1.954	10	20	CDCD	
CNC(=O)C[C@@H](C)NCc1ccc2c(c1)CCCO2	922161339	BHITUYYFEPKBBD-LLVKDONJSA-N	262.353	1.626	10	20	CDCD	
COc1cccc(O)c1CN1CCC[C@@H]([C@@H](C)N)C1	843052781	WEAVCUZHBYPHHW-VXGBXAGGSA-N	264.369	1.960	10	20	CDCD	
COc1ccc(O)c(CN(C)[C@H]2CCC(=O)N(C)C2)c1	862427580	BHNQANZFNHYRGU-LBPRGKRZSA-N	278.352	1.453	10	20	CDCD	
Cc1cccc(O)c1CNCCNC(=O)C(C)C	876892462	PIDWJOCZAICMRC-UHFFFAOYSA-N	250.342	1.562	10	20	CDCD	
Cc1cccc(O)c1CN(C)[C@H]1CCN(S(C)(=O)=O)C1	877545220	HDTDRXLLSMWTOJ-LBPRGKRZSA-N	298.408	1.166	10	20	CDCD	
CN(C)c1ccc(CNC(=O)C2(N)CCCC2)cc1	40825903	WCTPYWSYQYTVPW-UHFFFAOYSA-N	261.369	1.640	10	20	CDCD	
CCOc1cccc(CN2CCC[C@@H](CN)C2)c1O	44527614	JEIJXHXASAMDBR-LBPRGKRZSA-N	264.369	1.962	10	20	CDCD	
CO[C@H]1CCCN(C(=O)c2cccc(O)c2O)CC1	365699818	FMEAYOXLJKGVCG-JTQLQIEISA-N	265.309	1.739	10	20	CDCD	
CC(=O)c1cc(F)cc(CN(C)[C@@H]2CCNC2=O)c1O	759435488	GZVHLAAGEUGRIB-GFCCVEGCSA-N	280.299	1.054	10	20	CDCD	
COCCNC(=O)NCc1ccc2c(c1)CCCN2C	58483269	CXUQLDSISSZPBB-UHFFFAOYSA-N	277.368	1.515	10	20	CDCD	
O=C(Cn1cccn1)NCc1c(O)ccc2c1CCCC2	174517351	DRWTVPGKYSNLPC-UHFFFAOYSA-N	285.347	1.784	10	20	CDCD	
O=C(NCCC(=O)N1CCCCC1)c1cccc(O)c1O	126537004	IGKBRMISYLEWBZ-UHFFFAOYSA-N	292.335	1.230	10	20	CDCD	
C[C@H]1C(=O)NCCN1Cc1ccc(N(C)C)c(F)c1	123437057	IHCZCPZMSPKHCD-JTQLQIEISA-N	265.332	1.212	10	20	CDCD	
O=S1(=O)CCC[C@H]1CNCc1c(O)cccc1Cl	131738674	PXXBROUGJFTQJL-VIFPVBQESA-N	289.784	1.712	10	20	CDCD	
COC(=O)COc1ccc(N(C)Cc2c[nH]nc2C)cc1	183229068	DRDRLSKDWSJUPO-UHFFFAOYSA-N	289.335	1.906	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2cnns2)cc1	47816581	DIPVUQAFCQVWCM-UHFFFAOYSA-N	262.338	1.534	10	20	CDCD	
CN1CCN(Cc2cc(Br)ccc2O)CC1	139743899	YWWUIBIVZKOVBV-UHFFFAOYSA-N	285.185	1.902	10	20	CDCD	
COc1cccc(CN2CCN(CC(C)C)C(=O)C2)c1O	190098042	CXJYAMPAMZDSAH-UHFFFAOYSA-N	292.379	1.701	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CC2(N)CCC2)cc1F	237081896	ALXMDNHLLUWISA-UHFFFAOYSA-N	279.359	1.779	10	20	CDCD	
C[C@@H](NCCCS(C)(=O)=O)c1cc(F)ccc1O	94617774	IHRNYISFHHXZJQ-SECBINFHSA-N	275.345	1.617	10	20	CDCD	
COc1ccc(N2CCCN(C(=O)C3(N)CC3)CC2)cc1	237263192	GOFWYOOKWYSXRK-UHFFFAOYSA-N	289.379	1.225	10	20	CDCD	
Cc1nn(C)c(Cl)c1C(=O)NCCc1ccc(N)cc1	237731364	REDGFEDUHBIUGE-UHFFFAOYSA-N	292.770	1.937	10	20	CDCD	
C[C@H]1CN(Cc2ccccc2O)CC[S@](=O)C1	277311891	BPGZPGCGYWZMOT-GTNSWQLSSA-N	253.367	1.593	10	20	CDCD	
Cc1ccc(O)c(CNCC2(N3CCOCC3)CC2)c1	277420277	AKOHUUVDASRZKB-UHFFFAOYSA-N	276.380	1.655	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)[C@@H]1CCc2[nH]ncc2C1	272356046	RJRCSPJBULFETO-SNVBAGLBSA-N	287.319	1.242	10	20	CDCD	
Cn1cc(C(=O)CCC(=O)NCc2ccccc2O)cn1	279785422	FSICZSHUZBZZDN-UHFFFAOYSA-N	287.319	1.405	10	20	CDCD	
COc1cccc(CNC(=O)[C@@H]2CCO[C@H](C)C2)c1O	271858943	LDGQSKUCTPUWBG-GHMZBOCLSA-N	279.336	1.832	10	20	CDCD	
CCNC(=O)C1(CNCc2cccc(OC)c2O)CCC1	277397131	KFJAZAFZCDCFSX-UHFFFAOYSA-N	292.379	1.797	10	20	CDCD	
Nc1ccc(CC(=O)N2CCC(c3cn[nH]c3)CC2)cc1	372098936	PCXDFDKCDKVZDW-UHFFFAOYSA-N	284.363	1.941	10	20	CDCD	
C[C@@H]1C[C@@H](N2CCOCC2)CN1Cc1ccccc1O	289188863	ASOJEGYAZSTOGB-UKRRQHHQSA-N	276.380	1.687	10	20	CDCD	
CC[C@](C)(OC)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	280827103	OSECXOOVHIKVDU-BMIGLBTASA-N	281.352	1.960	10	20	CDCD	
C[C@@H](NC[C@H]1CC[C@@H](CO)O1)c1cc([N+](=O)[O-])ccc1O	293868150	ZLRQZEXSMXHDKU-JLLWLGSASA-N	296.323	1.491	10	20	CDCD	
CCOC1CN(C(=O)/C=C/c2ccc(O)c(O)c2)C1	294720050	HHXGJTVPBKHCQG-GQCTYLIASA-N	263.293	1.358	10	20	CDCD	
C[C@H](NC(=O)Cc1cncn1C)c1ccc(N(C)C)cc1	807274063	HDVBSZVVPZXAKD-LBPRGKRZSA-N	286.379	1.906	10	20	CDCD	
Cc1cc(O)c(CNCCCc2cnn(C)n2)cc1C	292910659	HHEGZBGMVFWTAP-UHFFFAOYSA-N	274.368	1.860	10	20	CDCD	
CC(=O)C(=O)CN1C(=O)CN(/C=C/c2ccccc2)C1=O	808022545	LEKFSQRJWOSLHH-BQYQJAHWSA-N	286.287	1.080	10	20	CDCD	
C[C@@H](NC[C@@H]1CCCNC1)c1cc([N+](=O)[O-])ccc1O	817945494	DZAGZONRDYLXQV-GHMZBOCLSA-N	279.340	1.951	10	20	CDCD	
O[C@H](CNc1ccccc1OCCF)Cn1cccn1	819489828	XSJSDWBKGMOADL-GFCCVEGCSA-N	279.315	1.704	10	20	CDCD	
COc1cc(CN2CC[C@H](NC(C)=O)C2)c(O)cc1C	817367091	BDJPDUNWMSVRAD-ZDUSSCGKSA-N	278.352	1.420	10	20	CDCD	
CCC(CC)(NC(=O)c1cc(O)cs1)C(=O)OC	829103309	VZARARMTWOUEBA-UHFFFAOYSA-N	271.338	1.915	10	20	CDCD	
CC[C@H](C)[C@H](NC(=O)c1ccc(C)c(O)c1O)C(=O)O	820454248	KPGYIJCJSVXNDG-XVKPBYJWSA-N	281.308	1.635	10	20	CDCD	
CCN(CC(=O)NC1CCOCC1)c1ccc(OC)cc1	728052471	CPWBRKJWAPBWPF-UHFFFAOYSA-N	292.379	1.817	10	20	CDCD	
CCn1nc(C)c(CNCc2cc(OC)ccc2O)n1	823871012	BAASBJZHUCPTQE-UHFFFAOYSA-N	276.340	1.610	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)NC[C@@H]1CCC[C@@H](O)C1	588407177	MVTHRKNNVQBONM-WFMXKNRHSA-N	291.347	1.778	10	20	CDCD	
CC(C)NC(=O)NCCOC(=O)c1cc(O)cs1	828841708	DLOBLKBKAWOQQF-UHFFFAOYSA-N	272.326	1.318	10	20	CDCD	
COCCN(CC(=O)O)Cc1cc(C)c(C)cc1O	820723605	XVNMPTNRAQOKFO-UHFFFAOYSA-N	267.325	1.542	10	20	CDCD	
C[C@@H](CC(N)=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	903448537	PKJHGGXHQCYKNP-WFASDCNBSA-N	292.427	1.209	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)CCNC(=O)O	737021177	QIVPFLGAYHFGRU-UHFFFAOYSA-N	280.324	1.789	10	20	CDCD	
C[C@@H]1[C@H](O)CCN1C(=O)NCc1ccc(N(C)C)cc1	836238732	JVYAEQZQJXSKHF-BXUZGUMPSA-N	277.368	1.417	10	20	CDCD	
CC[C@@](C)(CNC(=O)c1ccc(C)c(O)c1O)OC	836823684	MIOBTMYAONPQPA-AWEZNQCLSA-N	267.325	1.951	10	20	CDCD	
Cc1nnc(CC(=O)N(C)Cc2ccccc2O)s1	830141878	ZUGHFGYRIRKMRN-UHFFFAOYSA-N	277.349	1.753	10	20	CDCD	
COc1cccc(CNCc2ccc(C(=O)O)o2)c1O	738105137	UWTVWZYBHGNKAO-UHFFFAOYSA-N	277.276	1.982	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2ncccn2)cc1	735840212	FOWIRQQHEUROKZ-UHFFFAOYSA-N	256.309	1.473	10	20	CDCD	
CCOc1ccc(O)c(CN2CCO[C@@H](CC(=O)O)C2)c1	833662964	OZBOVNYGJHGHIC-ZDUSSCGKSA-N	295.335	1.466	10	20	CDCD	
COc1cccc(O)c1CN[C@@H](CCN)C(F)(F)F	841090588	LRVRLNVCAVQFCT-NSHDSACASA-N	278.274	1.770	10	20	CDCD	
COCCCC(=O)N(CC(=O)O)Cc1ccccc1O	911487879	XVOJDCXEVNIPIR-UHFFFAOYSA-N	281.308	1.232	10	20	CDCD	
O=C(O)C12CC(C(=O)NCc3ccccc3O)(C1)C2	911328456	JRPYAQNQVUNKCS-UHFFFAOYSA-N	261.277	1.263	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CSCN2)c1	843489058	CJRLQYGPFNNITG-KWQFWETISA-N	282.365	1.241	10	20	CDCD	
CCOc1ccc(O)c(CN2CC[C@@H]3NCC[C@H]3C2)c1	843127823	TXVPBGCZLMFSBW-WFASDCNBSA-N	276.380	1.975	10	20	CDCD	
COC[C@H](NC(=O)NCc1cc(OC)ccc1O)C(C)C	745819483	DKABZULBKLIFEI-ZDUSSCGKSA-N	296.367	1.871	10	20	CDCD	
C[C@@H](NCCO[C@H]1CCOC1)c1c(O)cccc1F	927076819	BBTKYUSPZDLPJH-MNOVXSKESA-N	269.316	1.987	10	20	CDCD	
COc1ccc(CNC(=O)[C@@H]2C[C@@]23CCCNC3)c(O)c1	848429978	ZMUVRBUGMGGKCM-XJKSGUPXSA-N	290.363	1.407	10	20	CDCD	
C[C@H]1[C@@H](C)NCCN1Cc1cc2c(cc1O)OCO2	843057225	GUZRMRRTWRPJAA-ZJUUUORDSA-N	264.325	1.303	10	20	CDCD	
C[C@H]1C[C@@H](NCc2nncn2C)c2c(O)ccc(F)c21	756403369	XZYVRLDTXHZZJC-WCBMZHEXSA-N	276.315	1.998	10	20	CDCD	
COC[C@H](CO)NCc1cc(F)c(N(C)C)cc1F	858165401	HEMZTAUWJNGBEL-JTQLQIEISA-N	274.311	1.128	10	20	CDCD	
CN(C)c1ccc(CNC(=O)C2(C(=O)O)CCC2)cc1F	852945117	BETLGJOJJQQWFF-UHFFFAOYSA-N	294.326	1.763	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)OCc1ccon1	759593088	IUFGAIAZIWWTKO-RQOWECAXSA-N	261.233	1.842	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)c1cnn(C2CCC2)c1	934945231	YGBFSZPESBAQIX-UHFFFAOYSA-N	287.319	1.949	10	20	CDCD	
C[C@H](N[C@@H]1COCC[C@H]1O)c1cc(Cl)ccc1O	866497290	DQVVIQGYJBESTK-RLCGTCKNSA-N	271.744	1.846	10	20	CDCD	
CC1(CCNC(=O)/C=C/c2ccc(O)c(O)c2)OCCO1	760107359	UHDXZXZXBUSQBD-HWKANZROSA-N	293.319	1.380	10	20	CDCD	
COc1ccc(O)c(CN2CCn3ncnc3C2)c1	770663404	AZWVLHOUXZINNG-UHFFFAOYSA-N	260.297	1.008	10	20	CDCD	
CCOc1ccc(CN(C)[C@H](C)C[S@@](C)=O)c(O)c1	776522007	YFCAVZXPEKNSOY-NSPYISDASA-N	285.409	1.990	10	20	CDCD	
CN1CCN(C2CCN(Cc3ccccc3O)CC2)CC1	877747683	XSCYKKSARFXGTD-UHFFFAOYSA-N	289.423	1.604	10	20	CDCD	
Cn1c(S(=O)(=O)Nc2ccc(O)cc2)cnc1Cl	776744794	AKJCUUYCTLUUSC-UHFFFAOYSA-N	287.728	1.580	10	20	CDCD	
COc1cc(O)c(CN[C@@H]2CCN(C)[C@H](C)C2)cc1OC	776222584	GCCHQJDSNPIZTF-DGCLKSJQSA-N	294.395	1.982	10	20	CDCD	
CCS(=O)(=O)C[C@H](C)NCc1ccc(N(C)C)cc1C	775396959	YZCJGNYTJJBBAG-ZDUSSCGKSA-N	298.452	1.974	10	20	CDCD	
COC1(C)CCN(Cc2cc3c(cc2O)OC[C@H]3O)CC1	774649807	YTAATNSZWYRPQT-CQSZACIVSA-N	293.363	1.819	10	20	CDCD	
COc1ccc(CNCCNC(=O)c2ccccn2)cc1C	1122583448	PJZNTNVURKENOZ-UHFFFAOYSA-N	299.374	1.918	10	20	CDCD	
COC1(C(=O)OCC(=O)c2ccc(O)c(O)c2)CCC1	784626757	BXDWZRWGBIDGTE-UHFFFAOYSA-N	280.276	1.393	10	20	CDCD	
C[C@H](NCCN1CCNC1=O)c1cc(F)cc(F)c1O	886745070	NKFKEHJXYCDIPZ-QMMMGPOBSA-N	285.294	1.346	10	20	CDCD	
Oc1c(F)cc(F)cc1CN1C[C@H]2CC[C@@H](O)[C@H]2C1	895780878	YJLYGNBKDCWZDG-YDEJPDAXSA-N	269.291	1.873	10	20	CDCD	
Cc1ccc(C(=O)N2CCN(C)[C@H](C)[C@H]2C)c(O)c1O	781015559	WXFIDDHGQBWNPL-GHMZBOCLSA-N	278.352	1.571	10	20	CDCD	
CCCOc1ccc(CN[C@](C)(CO)C(=O)OC)cc1C	894971972	JVCRXUSPASVGHK-MRXNPFEDSA-N	295.379	1.797	10	20	CDCD	
O=C1OCCN1[C@@H]1CCN(Cc2cc(F)cc(F)c2O)C1	895250995	FJBUUAUNCJNELJ-LLVKDONJSA-N	298.289	1.697	10	20	CDCD	
C[C@@H](CCNCc1ccc(N2CCOCC2)cc1)N(C)C	895300582	ZZRKFSYRQOVFIX-HNNXBMFYSA-N	291.439	1.953	10	20	CDCD	
CN(C)c1ccc([C@@H](CNCc2ncc[nH]2)N(C)C)cc1	898451687	NPYJYWJJTQMXDE-OAHLLOKOSA-N	287.411	1.868	10	20	CDCD	
CCN(C[C@H](C)OC)C(=O)c1ccc(C)c(O)c1O	795050593	MKSFZOUMZOUCFI-JTQLQIEISA-N	267.325	1.903	10	20	CDCD	
COC(=O)N1CCCN(Cc2cccc(OC)c2O)CC1	1203590341	XLIHVAYSUBOTMZ-UHFFFAOYSA-N	294.351	1.675	10	20	CDCD	
COc1cccc(CNS(=O)(=O)c2ccsc2)c1O	795852741	MAGJYEXFXQXCQW-UHFFFAOYSA-N	299.373	1.941	10	20	CDCD	
CCCCN(CC(N)=O)Cc1cc(F)cc(F)c1O	708411543	AXVIHXMYRCDJGE-UHFFFAOYSA-N	272.295	1.758	10	20	CDCD	
O=C(NCCc1cccc(O)c1)c1c(F)ccc(O)c1O	790071228	RKIFYLIDGDFTRD-UHFFFAOYSA-N	291.278	1.915	10	20	CDCD	
CCn1nccc1CNCc1ccc(OC)cc1O	793387588	IDVYRYSYHISQHI-UHFFFAOYSA-N	261.325	1.907	10	20	CDCD	
Nc1ccc(CNC(=O)N2CCC[C@@H]3OCC[C@@H]32)cc1	1336290854	UPFYVLMQBLRFSZ-KBPBESRZSA-N	275.352	1.732	10	20	CDCD	
CC[C@](C)(O)c1nnc(N(C)Cc2ccccc2O)n1C	1341580209	PFPBVCPSSXXIBZ-HNNXBMFYSA-N	290.367	1.775	10	20	CDCD	
C[C@H](Cc1cnn(C)c1)C(=O)NCc1cccc(O)c1O	1263894499	JKHDRJFSYPAIFB-SNVBAGLBSA-N	289.335	1.326	10	20	CDCD	
CN(C)C1(CNC(=O)Cc2ccc(N)cc2)CCCC1	110374432	FGPXTTSUSQNQCJ-UHFFFAOYSA-N	275.396	1.802	10	20	CDCD	
Nc1ccc(CNC(=O)N2CCC[C@@H]2CC(=O)O)cc1	1601215486	BCALMDQXWZQXEF-GFCCVEGCSA-N	277.324	1.418	10	20	CDCD	
CON(C(=O)/C=C\c1ccc(O)c(O)c1)[C@@H](C)CC(=O)O	1606986027	YVQUOYXNOXSNRT-RNEXMXFGSA-N	295.291	1.364	10	20	CDCD	
O=C(O)c1coc(CNC(=O)c2cc(O)cs2)c1	1608988908	GSMPSPOKUHSCAW-UHFFFAOYSA-N	267.262	1.675	10	20	CDCD	
Nc1ccc(CC(=O)N[C@H](CO)c2cccnc2)cc1	1580443288	VPULHLYUSZDWCK-CQSZACIVSA-N	271.320	1.056	10	20	CDCD	
C[C@H](C(=O)O)n1cc(COc2ccc(N)cc2)nn1	1589539662	KCECKJYQRZUKHJ-MRVPVSSYSA-N	262.269	1.085	10	20	CDCD	
COCC(=O)N[C@H](C)[C@@H](C)NCc1ccc(OC)c(C)c1	1755223174	HIDAHHQKARFLJS-CHWSQXEVSA-N	294.395	1.633	10	20	CDCD	
C[C@H](Nc1cc(-c2nn[nH]n2)ncn1)c1ccccc1O	1591771123	XUFFWUGIASTBEB-QMMMGPOBSA-N	283.295	1.535	10	20	CDCD	
COc1cc(O)c(CN[C@H]2CCC[C@H]2C(=O)O)cc1OC	1594066465	MLJCUZVEYVQWFU-MNOVXSKESA-N	295.335	1.752	10	20	CDCD	
CSCCN[C@H](C)c1cccc(-c2nn[nH]n2)c1O	1591700285	QZNBAUBGZHYQTC-MRVPVSSYSA-N	279.369	1.586	10	20	CDCD	
CC[C@@H](C)[C@H](NCc1cc([N+](=O)[O-])ccc1O)C(=O)O	1776687521	ZSQUIWPCEAIMLU-PELKAZGASA-N	282.296	1.889	10	20	CDCD	
CCOc1cccc(CN2CCO[C@@H](CF)C2)c1O	840954011	FKSKNHRWFDNCMO-LBPRGKRZSA-N	269.316	1.961	10	20	CDCD	
Cc1ccc(CN2CCN3C(=O)OC[C@@H]3C2)c(O)c1	876766757	RDRJHVIXNSTCGY-LBPRGKRZSA-N	262.309	1.337	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)CCCN	37807408	VGFWPVWJVHYFQY-UHFFFAOYSA-N	263.385	1.840	10	20	CDCD	
CC[C@@H](C)NC(=O)CCNC(=O)Cc1ccc(N)cc1	38014917	WYFRIORJJUXUNO-LLVKDONJSA-N	277.368	1.232	10	20	CDCD	
COc1ccc(O)c(CNCC2([S@](C)=O)CCC2)c1	281748550	HPKQOBNTSISLGW-IBGZPJMESA-N	283.393	1.792	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CC(F)(F)C(F)(F)C1	313314079	JCKDTMWHJDKSHC-UHFFFAOYSA-N	279.189	1.824	10	20	CDCD	
COC[C@@](C)(O)CNCc1cccc(Cl)c1O	382553693	HDXPTXOFSQDZFQ-LBPRGKRZSA-N	259.733	1.533	10	20	CDCD	
CCN1C[C@@H](N[C@@H]2CCc3cccc(O)c32)CC1=O	391527330	FMYMCCZVBXXSIV-NWDGAFQWSA-N	260.337	1.590	10	20	CDCD	
CCOC(=O)CN1CCCN(c2ccc(OC)cc2)CC1	52466360	MRWDLUXLYXJTMZ-UHFFFAOYSA-N	292.379	1.770	10	20	CDCD	
CCCNC(=O)CN(C)c1ccc(OC)c(OC)c1	63616799	WFBFOCCDJIBSJK-UHFFFAOYSA-N	266.341	1.666	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)NCCOC	66686959	GPNBXSUGYGYIGQ-UHFFFAOYSA-N	266.341	1.960	10	20	CDCD	
Cc1ccc(C(=O)NCCn2cccn2)c(O)c1O	182225172	HUMRMDKZUAAKCM-UHFFFAOYSA-N	261.281	1.033	10	20	CDCD	
COC[C@H](O)CCNCc1cc(Cl)ccc1O	231606406	NKXVHXUILGCAAO-LLVKDONJSA-N	259.733	1.533	10	20	CDCD	
CN(Cc1cc(=O)c(O)co1)c1ccc2c(c1)OCO2	121323603	LBQVKEHBKHYEOB-UHFFFAOYSA-N	275.260	1.711	10	20	CDCD	
COCC[C@@H](CO)NCc1ccc(N2CCOCC2)cc1	313298395	ATTNWKWWQUHCNS-HNNXBMFYSA-N	294.395	1.010	10	20	CDCD	
Cc1ccc(C(=O)NC[C@](C)(O)C(C)C)c(O)c1O	182532846	VVXBTXILQBHTCR-AWEZNQCLSA-N	267.325	1.543	10	20	CDCD	
CCN1C(=O)C(=CNCCC(C)C)C(=O)N(CC)C1=S	48403162	OVKOCMIABHPHSU-UHFFFAOYSA-N	297.424	1.502	10	20	CDCD	
C[C@H](C(=O)NCc1ccc2c(c1)CCCN2C)[C@@H](C)N	192104544	NAJNSQABSQZCKM-NWDGAFQWSA-N	275.396	1.669	10	20	CDCD	
Cc1cccc(CN[C@H]2CCS(=O)(=O)[C@H]2C)c1O	294019485	UUPYCMWZOYQOHH-JQWIXIFHSA-N	269.366	1.366	10	20	CDCD	
C[C@H]1[C@H](C)S(=O)(=O)CCN1Cc1ccc(N(C)C)cc1	93559165	SURXIZYUIMURHI-STQMWFEESA-N	296.436	1.760	10	20	CDCD	
Cc1cc(CC(=O)N(C)Cc2ccccc2O)n[nH]1	268066481	XNLDZTPTGNQEGY-UHFFFAOYSA-N	259.309	1.625	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CCOC1	266348538	OGPLWJRBWJOHDG-LLVKDONJSA-N	276.336	1.515	10	20	CDCD	
CC[C@@H]1CN(Cc2cc(OC)ccc2O)C[C@@H]1O	272028146	YFOJQEQJGZDGNF-YGRLFVJLSA-N	251.326	1.604	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C1CCOCC1	273210017	SUHOQCFXOVQZNO-JTQLQIEISA-N	279.336	1.572	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCOC1	273224484	VYICZHJYFBLPHO-MWLCHTKSSA-N	265.309	1.182	10	20	CDCD	
C[C@H](NC[C@]1(O)CCO[C@@H]1C)c1cc([N+](=O)[O-])ccc1O	278662683	FMYFATXIMGGTFS-IMSIIYSGSA-N	296.323	1.491	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)NC[C@@H]2CC[C@H](O)C2)c1	276618440	MEAHIUMBQLTZJY-LOWVWBTDSA-N	293.363	1.990	10	20	CDCD	
COC(=O)[C@H]1COCCN1Cc1c(O)cccc1Cl	271183828	MVBGBMIMXSWKJH-LLVKDONJSA-N	285.727	1.419	10	20	CDCD	
Nc1ccc(CC(=O)NC[C@@H]2NCCc3ccccc32)cc1	375957539	LUMJARIYMBKUEM-KRWDZBQOSA-N	295.386	1.815	10	20	CDCD	
O=C1NC[C@@H](COc2ccc(N3CCCC3)cc2)O1	282294032	QVHJPPKYTSULJO-ZDUSSCGKSA-N	262.309	1.774	10	20	CDCD	
CC(C)(C)n1cnc(C(=O)NCc2ccc(O)c(O)c2)n1	292066717	GPXINFZIIZNRRJ-UHFFFAOYSA-N	290.323	1.374	10	20	CDCD	
Cc1cc(Cn2ccnc2S(C)(=O)=O)ccc1N(C)C	292655760	NAAOOIZWQICGNF-UHFFFAOYSA-N	293.392	1.709	10	20	CDCD	
CCOc1ccc(N(CC)CC(=O)N(C)C)cc1	299421777	RPCXCLPNALQKER-UHFFFAOYSA-N	250.342	2.000	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)CN1CCCCC1=O	299236580	AERKTDHUGXFWLF-UHFFFAOYSA-N	276.336	1.363	10	20	CDCD	
NC(=O)CN1C(=O)/C(=C\c2cccs2)SC1=S	727176684	NZWJKBCWJDTBSP-QPJJXVBHSA-N	284.387	1.435	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@H](O)C2CC2)cc1F	824668971	AOEQGXKZTNRQPZ-ZDUSSCGKSA-N	266.316	1.279	10	20	CDCD	
O=C(NCCCSc1nccs1)[C@@]1(F)CCNC1	829528674	VDTZDMVLSPIIAY-LLVKDONJSA-N	289.401	1.443	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)C[C@H]2CC(=O)N2)cc1	822606898	BTDWAFRCSXOUKG-ZDUSSCGKSA-N	289.379	1.428	10	20	CDCD	
COc1ccc(O)c(CNC(=O)NCc2cc(C)on2)c1	734067769	RFJNIZCNCFQNHS-UHFFFAOYSA-N	291.307	1.697	10	20	CDCD	
CCn1ncc(CN2CCOc3cc(N(C)C)ccc32)n1	839013883	UIXWPMVVCFSRPW-UHFFFAOYSA-N	287.367	1.763	10	20	CDCD	
CCOC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(N)cc1	911660967	QGNRNNQTQFTTBH-LLVKDONJSA-N	295.364	1.739	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2Cc1nncn1C	163184192	APVZEYVTZHGILQ-UHFFFAOYSA-N	273.340	1.280	10	20	CDCD	
C[C@H]1C[C@H](NCc2cc([N+](=O)[O-])ccc2O)CCN1C	742375087	NFILPNGATHTHCY-CMPLNLGQSA-N	279.340	1.873	10	20	CDCD	
COc1ccc(N(C)CCN(C)[C@@H](C)C(=O)N(C)C)cc1	844399414	ICYKECDJYOLLTB-ZDUSSCGKSA-N	293.411	1.540	10	20	CDCD	
COc1ccc(N(C)CCn2ccc([N+](=O)[O-])n2)cc1	844353172	PVRUHGZBJMWPGY-UHFFFAOYSA-N	276.296	1.936	10	20	CDCD	
C[C@@H](NC[C@H]1CCCNC1=O)c1cc([N+](=O)[O-])ccc1O	840825218	DECNYYUAVNDBLP-NXEZZACHSA-N	293.323	1.477	10	20	CDCD	
O=C(N[C@@H]1c2ccccc2C[C@H]1O)c1cc(O)cs1	748299265	QEQKPJSKMFOBNJ-DGCLKSJQSA-N	275.329	1.842	10	20	CDCD	
COc1cccc([C@@H](C)NCC(C)(C)C(N)=O)c1O	846160358	UPEWVEFJTYBAJQ-SECBINFHSA-N	266.341	1.563	10	20	CDCD	
C[C@@H](CN(C)C)NC(=O)NCc1cc(Cl)ccc1O	845195528	FGUUYHGUBSGNJD-VIFPVBQESA-N	285.775	1.795	10	20	CDCD	
O=C(NCCCN1CCCC1)c1cc(O)cs1	842224734	PFGFPKREEZBJII-UHFFFAOYSA-N	254.355	1.669	10	20	CDCD	
CC1=CCN(Cc2cc(O)n3ncc(C(=O)O)c3n2)CC1	846248545	YSBYUAFFODYAQM-UHFFFAOYSA-N	288.307	1.285	10	20	CDCD	
C[C@H](N)[C@@H]1CCCN(Cc2cc3c(cc2O)OCO3)C1	843051080	DHWMANPGQLNWPL-WDEREUQCSA-N	278.352	1.680	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2ccc(C(N)=O)o2)cc1	746766097	FUURZYGBQFFKFU-UHFFFAOYSA-N	287.319	1.375	10	20	CDCD	
COc1cccc([C@H](C)NCc2ccn(C)n2)c1O	846158085	SBYGJYYYBYJLSY-JTQLQIEISA-N	261.325	1.985	10	20	CDCD	
COc1cccc(CNC[C@@]2(C)CCCNC2)c1O	841058379	WRTQNRISXTYLJF-HNNXBMFYSA-N	264.369	1.880	10	20	CDCD	
O=C(OCC[C@@H]1CCCO1)c1cccc(O)c1O	758560521	LZGUPFOCPKFNMU-VIFPVBQESA-N	252.266	1.824	10	20	CDCD	
C[C@H](NC[C@]1(O)CCOC1)c1cc(F)cc(F)c1O	756768381	DEIXCOOVIVZLKU-ISVAXAHUSA-N	273.279	1.472	10	20	CDCD	
CCOCCO[C@H](C)C(=O)N(C)c1ccc(N)cc1	877078498	RNMMGEOWXLXMRD-LLVKDONJSA-N	266.341	1.673	10	20	CDCD	
C[C@@H](C(=O)NC(C)(C)C)N(C)C(=O)c1cc(O)cs1	777223345	UDIWNMQDAMMFQP-QMMMGPOBSA-N	284.381	1.829	10	20	CDCD	
C[C@H](NC(=O)[C@@H]1CCN(C)C1=O)c1ccc(N(C)C)cc1	775408799	BZVGHTGDGMKTRX-FZMZJTMJSA-N	289.379	1.408	10	20	CDCD	
C[C@@H](O)CN(C)Cc1ccc(N2CCN(C)CC2)cc1	776520916	IKQGLUNGGLZOAW-CQSZACIVSA-N	277.412	1.251	10	20	CDCD	
Cc1nccnc1N1CCN(Cc2ccc(N)cc2)CC1	1120268683	HPXMUPSQJHEUKP-UHFFFAOYSA-N	283.379	1.689	10	20	CDCD	
CC[C@@H](CN1CCOCC1)NC(=O)Cc1ccc(N)cc1	1122253838	JHQISJRPHOJOSU-HNNXBMFYSA-N	291.395	1.038	10	20	CDCD	
C[C@@H]1OC(=O)N[C@@H]1C(=O)N(C)Cc1ccc(N(C)C)cc1	788627168	PGKZYGSFYOWFCN-GWCFXTLKSA-N	291.351	1.208	10	20	CDCD	
COC(=O)C1(CNCc2ccc(OC)c(OC)c2O)CC1	893693708	GACREQNDZKAGRK-UHFFFAOYSA-N	295.335	1.452	10	20	CDCD	
Cc1cnc(NC(=O)C(=O)NCc2ccccc2O)s1	782106641	LBUSOMZIKMJXPS-UHFFFAOYSA-N	291.332	1.412	10	20	CDCD	
COc1ccc(CNC(C)(C)CCO)c(O)c1OC	892953856	LSYURTBHVBWWTD-UHFFFAOYSA-N	269.341	1.660	10	20	CDCD	
CCCCN1CC(=O)N[C@@H]1c1ccc(OC)c(OC)c1O	899370614	IUOXXWSLQADNDI-HNNXBMFYSA-N	294.351	1.640	10	20	CDCD	
C[C@@H]1COCC[C@H]1CNCc1cc2c(cc1O)OCO2	796498615	XWIVZEYYGGCKNL-MNOVXSKESA-N	279.336	1.883	10	20	CDCD	
COc1ccc(CNc2cc(C)nc3ncnn23)c(O)c1	795284842	LEZGEIAKYFSOJD-UHFFFAOYSA-N	285.307	1.759	10	20	CDCD	
CN(C)C(=O)OCCNC(=O)Nc1ccc(N)cc1	689032051	DCCFKEHWAZXWDY-UHFFFAOYSA-N	266.301	1.089	10	20	CDCD	
CCN(C[C@@H](C)OC)C(=O)c1ccc(C)c(O)c1O	795050595	MKSFZOUMZOUCFI-SNVBAGLBSA-N	267.325	1.903	10	20	CDCD	
CN(C)c1ccc(CN2CCO[C@H](CC(=O)O)C2)cc1	91298350	UQXGCOSVAAWHAR-CQSZACIVSA-N	278.352	1.428	10	20	CDCD	
COc1cccc(CN2CCO[C@H](CC(=O)O)C2)c1O	91298093	APBWYHINRZNTIH-LLVKDONJSA-N	281.308	1.076	10	20	CDCD	
O=C(CC1(O)CCCCC1)NCc1cccc(O)c1O	1352658415	USSXYQXFDMBRIE-UHFFFAOYSA-N	279.336	1.799	10	20	CDCD	
C[C@@H](NCCn1cc(C(=O)O)nn1)c1cc(F)ccc1O	1609780802	PGWFQJWLAMBQSR-MRVPVSSYSA-N	294.286	1.172	10	20	CDCD	
OCC1(CNCc2ccc3c(c2)CCCO3)COC1	259031991	QNVXEQUOPQKNHD-UHFFFAOYSA-N	263.337	1.110	10	20	CDCD	
COc1ccc(O)c(CNC[C@@]2(O)CCO[C@H]2C)c1	228094438	JRSQOWXFMCJNRA-HZMBPMFUSA-N	267.325	1.030	10	20	CDCD	
Cc1cc(O)c(CN(C)CCOCCN)cc1Cl	1579638035	OVUMHQVOLGWTDJ-UHFFFAOYSA-N	272.776	1.761	10	20	CDCD	
CCN(CCN)Cc1cc(F)c(N(C)C)cc1F	1577720982	JQYJOWMZZPYAOH-UHFFFAOYSA-N	257.328	1.811	10	20	CDCD	
C[C@@H](NCCOCC(=O)O)c1cc(F)ccc1O	1589128261	MFEZFLTWSPSLDZ-MRVPVSSYSA-N	257.261	1.283	10	20	CDCD	
CC[C@H](N)CN[C@H](C)c1cc(C(=O)O)ccc1O	1595222223	CCOLTUJUHJCXTR-SCZZXKLOSA-N	252.314	1.478	10	20	CDCD	
COc1cccc(CNc2nccc(C(=O)O)n2)c1O	1599675760	WOFHLORMOGUSRM-UHFFFAOYSA-N	275.264	1.501	10	20	CDCD	
CN(CCS(C)(=O)=O)Cc1cc2c(cc1O)CCCC2	160123795	MDZCNAKFZXKHRZ-UHFFFAOYSA-N	297.420	1.747	10	20	CDCD	
CCN1CCN(c2ccc(OC)cc2OC)CC1	204598414	JDRLKEQYCZPDSJ-UHFFFAOYSA-N	250.342	1.846	10	20	CDCD	
NC(=O)[C@H]1CCN(Cc2ccc(N3CCCCC3)cc2)C1	157088263	RKHKVRGUTQEREN-HNNXBMFYSA-N	287.407	1.984	10	20	CDCD	
O=C(NCC1(O)CCCCC1)c1cccc(O)c1O	126624192	GLKANKPMMGSUIM-UHFFFAOYSA-N	265.309	1.523	10	20	CDCD	
Nc1ccc(CCNC(=O)[C@@H]2CC23CCOCC3)cc1	237940806	FMXVWBNFFQVKCM-AWEZNQCLSA-N	274.364	1.744	10	20	CDCD	
COc1ccc(CNC[C@@H]2CN(C)CCN2C)cc1C	68801814	OOZNREODAGRRSX-OAHLLOKOSA-N	277.412	1.339	10	20	CDCD	
CCOC(=O)CC[C@@H](O)CNc1ccccc1OC	385763094	YXKPZVBGLPRJER-LLVKDONJSA-N	267.325	1.811	10	20	CDCD	
CN(CC(=O)NCC1CCC1)Cc1ccccc1O	109769120	VAGMVKZEESSUOI-UHFFFAOYSA-N	262.353	1.740	10	20	CDCD	
CCOc1ccc(O)c(CN2CCC[C@H](OCCO)C2)c1	179579444	YLJGYEKYZFIUNF-HNNXBMFYSA-N	295.379	1.764	10	20	CDCD	
NCCCOC1CCN(Cc2ccc(N)cc2)CC1	1262487434	UDTRFPJJYFXVLE-UHFFFAOYSA-N	263.385	1.599	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)CCS(C)(=O)=O	115281455	PTLIKSXWXVZRFH-UHFFFAOYSA-N	298.408	1.112	10	20	CDCD	
CC(C)C[C@@H](NC(=O)c1cccc(O)c1O)C(=O)O	60149157	DANOJWDPYNZKCX-SECBINFHSA-N	267.281	1.327	10	20	CDCD	
CC[C@](C)(O)CNCc1cc(OC)c(OC)cc1O	182440777	GJFAKBVFOHYIBA-AWEZNQCLSA-N	269.341	1.660	10	20	CDCD	
CCOc1cccc(CN(C)C[C@@H](C)C(=O)O)c1O	86807924	CBMMUNBNRZONQU-SNVBAGLBSA-N	267.325	1.943	10	20	CDCD	
COc1cccc(CN2C[C@@H](C)[C@H](C(=O)O)C2)c1O	227816446	NBMICBJYCPJAHB-MWLCHTKSSA-N	265.309	1.553	10	20	CDCD	
COC(=O)Cn1ncc(NCc2cc(C)ccc2O)c1C	193000409	KMUZHECZOZDPQF-UHFFFAOYSA-N	289.335	1.991	10	20	CDCD	
C[C@H]1OCC[C@]1(O)CNCc1cc(Cl)ccc1O	227974272	PTCWAVSJWPDFJW-RNCFNFMXSA-N	271.744	1.675	10	20	CDCD	
COC[C@@H](NCc1ccc2c(c1)CCO2)[C@H]1CCCO1	278682995	PDVRVVKPHUDCMH-GDBMZVCRSA-N	277.364	1.905	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)NCCC(=O)N(C)C)c1	273555319	GTCFKENDTMEQJR-SNVBAGLBSA-N	294.351	1.308	10	20	CDCD	
O=C(NC[C@@H]1COC2(CCCC2)O1)c1cccc(O)c1O	280034099	YLYZCFZCPRBLMM-SNVBAGLBSA-N	293.319	1.513	10	20	CDCD	
COc1cc(O)c(CN(C)CCCN(C)C)cc1OC	809729389	GKVBDPJAFVJCMY-UHFFFAOYSA-N	282.384	1.793	10	20	CDCD	
CCCN(C)C(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	807673475	UDNYELLRLHREJL-LBPRGKRZSA-N	291.395	1.798	10	20	CDCD	
COc1ccc(COC(=O)c2cc(O)cs2)nn1	801261890	BEQUXCQOSFZGSD-UHFFFAOYSA-N	266.278	1.609	10	20	CDCD	
C[C@H]1CCC[C@@]1(O)CNC(=O)c1c(F)ccc(O)c1O	295626145	PMEBSGGSJICKJP-RMLUDKJBSA-N	283.299	1.518	10	20	CDCD	
CCCOc1ccc(CN[C@H](CF)C(=O)OC)c(O)c1	290494881	OUOIKTSDDJQSOR-GFCCVEGCSA-N	285.315	1.782	10	20	CDCD	
Cc1cc(CN[C@H](CO)c2cnn(C)c2)ccc1N(C)C	294528405	JMTKMRIXMKHPQO-OAHLLOKOSA-N	288.395	1.618	10	20	CDCD	
C[C@H](NCC1CCNCC1)c1cc([N+](=O)[O-])ccc1O	817941173	NBTZDZSTKNLVTP-JTQLQIEISA-N	279.340	1.951	10	20	CDCD	
CC[C@@H](O)CNCc1ccc(N2CCN(C)CC2)cc1	817708669	BCZBOOMIPZFFSR-MRXNPFEDSA-N	277.412	1.299	10	20	CDCD	
CNC(=O)C[C@@H](C)NCc1cc(Cl)c(F)cc1O	825067715	DWWCWMXXCLRGTP-SSDOTTSWSA-N	274.723	1.799	10	20	CDCD	
CC[C@@](C)(CC(=O)OC)NC(=O)c1cc(O)cs1	829648726	HBNGMBAYACAIBI-LBPRGKRZSA-N	271.338	1.915	10	20	CDCD	
CN(CCC(=O)O)Cc1ccc(N2CCOCC2)c(F)c1	820585991	JMUWHFUOPDOOCY-UHFFFAOYSA-N	296.342	1.569	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@H]2C[C@@]23CCNC3)cc1	825973796	QONVZUPWGSMPNG-GDBMZVCRSA-N	273.380	1.368	10	20	CDCD	
COc1cccc(O)c1CNC[C@@H]1CCCN1CCCO	824559592	VWXMDBREDRUJFZ-ZDUSSCGKSA-N	294.395	1.337	10	20	CDCD	
O=C(O)[C@@]1(C(=O)NCc2c(O)cccc2F)CC=CCC1	902853027	HCMLXRHSSIFCTK-HNNXBMFYSA-N	293.294	1.959	10	20	CDCD	
CN1C(=O)C2(CCCC2)N[C@H]1c1cc(C(=O)O)ccc1O	830901039	BUYSWAFWEDJYRO-GFCCVEGCSA-N	290.319	1.463	10	20	CDCD	
Cc1ccc(C(=O)N[C@H]2C(=O)OCC2(C)C)c(O)c1O	837639274	XCVCXDJKYRQURG-NSHDSACASA-N	279.292	1.088	10	20	CDCD	
CCOc1ccc(O)c(CN2CC[C@H](NC)C2)c1	843044774	IWSZMEOHBHQZDU-LBPRGKRZSA-N	250.342	1.585	10	20	CDCD	
CC1(C)CN(CCNC(=O)Nc2ccc(N)cc2)CCO1	841300531	RGTDSWNJGHSLGT-UHFFFAOYSA-N	292.383	1.501	10	20	CDCD	
O=C(CCOCC(F)F)NCc1ccc(O)cc1O	910947344	DQXIQSXIZJEOFB-UHFFFAOYSA-N	275.251	1.386	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2CC[C@H]([C@H](C)N)C2)c1O	843057110	BEYFKKPAIHRKSQ-UWVGGRQHSA-N	295.339	1.478	10	20	CDCD	
CN1CC[C@H](c2nc(Cc3ccc(N)cc3)no2)CC1=O	843159029	LDLFWQFKKHJVPG-NSHDSACASA-N	286.335	1.578	10	20	CDCD	
COc1cc(O)c(CN[C@@H]2CCN[C@@H](C)C2)cc1OC	841060929	CISQGNVEEGOPCL-CMPLNLGQSA-N	280.368	1.640	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N2CCO[C@@H](CF)C2)cc1	840244439	NFMHVXQMYZNSJW-AWEZNQCLSA-N	295.358	1.633	10	20	CDCD	
CN1C(=O)C2(CCCC2)N[C@@H]1c1cccc(O)c1O	742439191	JTXLHUFQYUCJSQ-LBPRGKRZSA-N	262.309	1.471	10	20	CDCD	
CN1CC[C@H]1CNCc1ccc(N2CCC(O)CC2)cc1	922575384	YFBCVTJOVXREQK-INIZCTEOSA-N	289.423	1.441	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)N[C@H]2CO[C@@H](C)C2)c1	858575361	YSIVUJOERVGSKV-CMPLNLGQSA-N	264.325	1.677	10	20	CDCD	
COC[C@@](C)(O)CN[C@@H](C)c1cc(F)cc(F)c1O	756577941	SWXSDTZMAUIPGP-SDBXPKJASA-N	275.295	1.718	10	20	CDCD	
COc1ccc(N(C)Cc2cn(C)nn2)c(OC)c1	761703626	GSXXCNZZNUPHDM-UHFFFAOYSA-N	262.313	1.469	10	20	CDCD	
CN(C)c1ccc(CNc2nnc(CCO)s2)cc1	865294483	NVNPSCPEGBEASP-UHFFFAOYSA-N	278.381	1.751	10	20	CDCD	
COc1ccc(N(C)Cc2cn(C)nn2)cc1F	761673264	ZDWQKGDXRNPXLT-UHFFFAOYSA-N	250.277	1.599	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)CSc2n[nH]c(C)n2)c1	862760152	NETIZQUXEMJYLL-UHFFFAOYSA-N	292.364	1.536	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)Nc2nc(C)no2)c1	860889753	BIGALQFKNLMSPE-UHFFFAOYSA-N	262.269	1.714	10	20	CDCD	
Cc1cccc(O)c1CN1CCN(S(C)(=O)=O)[C@@H](C)C1	877140249	CKEAIUULGFYFQG-LBPRGKRZSA-N	298.408	1.166	10	20	CDCD	
CC[C@@](C)(CC(=O)OC)NC(=O)c1ccc(C)c(O)c1O	770503557	RWHJFBFBFUEVGD-HNNXBMFYSA-N	295.335	1.868	10	20	CDCD	
COC[C@@H](C)CC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	773767812	PWCWNZQQJPZDJR-QWRGUYRKSA-N	281.352	1.818	10	20	CDCD	
CCOc1ccc(CN(CCO)CCCOC)c(O)c1	783731142	YITJZHFPHZQZPW-UHFFFAOYSA-N	283.368	1.622	10	20	CDCD	
CCn1cc(CC(=O)NCc2ccc(O)c(O)c2)cn1	780937721	XUYOPPJUXZXIDC-UHFFFAOYSA-N	275.308	1.173	10	20	CDCD	
COc1ccc(CNC(=O)CCc2nc(C)no2)c(O)c1	794377417	NWKWSZCDJLZSIA-UHFFFAOYSA-N	291.307	1.341	10	20	CDCD	
COc1cccc(CN2C[C@H]3CN(C(C)=O)C[C@H]3C2)c1O	895576849	UHOJTLPIEUGKSD-OKILXGFUSA-N	290.363	1.311	10	20	CDCD	
COc1cccc(O)c1CN[C@@H]1CCN(C)[C@H](C)C1	742375019	KUHPGLPMUBVXQN-VXGBXAGGSA-N	264.369	1.973	10	20	CDCD	
COc1cccc(O)c1CN[C@H]1CCCS(=O)(=O)C1	754890327	QYEFFWMGMCZGJE-JTQLQIEISA-N	285.365	1.068	10	20	CDCD	
CN(C)c1ccc(CN2C[C@@H]3C[C@@]3(C(=O)O)C2)cc1	693270180	YUCKBYUXIFSZIC-SWLSCSKDSA-N	260.337	1.659	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NCc2nnc(C)n2C)c1	1328789025	KVDRSUXIGNAZIO-UHFFFAOYSA-N	289.339	1.137	10	20	CDCD	
COc1ccc(CN(C)Cc2nccn2C)c(O)c1OC	1334217437	MGBOXGCXFBMLDB-UHFFFAOYSA-N	291.351	1.775	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C12CC(CN1)C2	1340943709	KSLOVZVNXCTIRW-UHFFFAOYSA-N	287.407	1.853	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NC[C@H]2CCCCN2C)c1	1358405685	BJOQRYRUJYRCMV-CQSZACIVSA-N	291.395	1.984	10	20	CDCD	
C[C@@H](NCCOCCN(C)C)c1ccc(F)cc1O	219324859	HAYHSQFORMJSKX-LLVKDONJSA-N	270.348	1.760	10	20	CDCD	
Cc1ccc(CN[C@@](C)(Cn2cccn2)C(=O)O)c(O)c1	1600419036	IQSBQLMBTUEZOI-HNNXBMFYSA-N	289.335	1.530	10	20	CDCD	
COC[C@@H](CN[C@@H](C)c1cc(C(=O)O)ccc1O)OC	1606800028	CILAZTXTBSJCLS-GXSJLCMTSA-N	283.324	1.402	10	20	CDCD	
O=C(O)[C@@H]1CCCCCN1C(=O)Cc1ccc(O)c(O)c1	1601811310	LCKMHXCCNHAQTI-NSHDSACASA-N	293.319	1.496	10	20	CDCD	
CNC(=O)[C@@]1(C)CCN(Cc2cccc(C)c2O)C1	228099211	HNCWPOLWXAGNAB-HNNXBMFYSA-N	262.353	1.659	10	20	CDCD	
CCc1nnc(C)cc1C(=O)NCc1ccc(N)cc1	229151341	ROOHIUWNRGCEEM-UHFFFAOYSA-N	270.336	1.860	10	20	CDCD	
Cc1cc(CN)oc1C(=O)NCc1cccc(O)c1O	1579597902	PXBVCDSKSMFYIH-UHFFFAOYSA-N	276.292	1.388	10	20	CDCD	
CC(C)[C@H](C(=O)O)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	1589079193	NRDFRTFXWXTGAT-ZANVPECISA-N	295.335	1.502	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H](C)CC(=O)O	1594311937	RBARRIIZFVWQNG-NSHDSACASA-N	293.367	1.723	10	20	CDCD	
O=C(O)c1cc(NC(=O)c2cc(O)cs2)ccn1	1595209428	FULWMZLUCWEBNX-UHFFFAOYSA-N	264.262	1.799	10	20	CDCD	
CCC(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(N)cc1	160335874	DRERGHOSUXUYJI-CYBMUJFWSA-N	275.352	1.998	10	20	CDCD	
CCOc1cccc(CNCCO[C@H]2CCOC2)c1O	922938581	FVLPIEISDBXOPE-ZDUSSCGKSA-N	281.352	1.686	10	20	CDCD	
C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)Cc1ccc(N)cc1	830360742	SOKULXIXVZUVLA-WFASDCNBSA-N	275.396	1.610	10	20	CDCD	
CN1CC[C@@H](NCc2cccc(Br)c2O)C1	42546225	SOXYVQWPZVXHMC-SNVBAGLBSA-N	285.185	1.948	10	20	CDCD	
CN1CCC(CNC(=O)Cc2ccc(N)cc2)CC1	44514996	OUWDXGZIZXMWLD-UHFFFAOYSA-N	261.369	1.269	10	20	CDCD	
CN(Cc1ccccc1O)S(=O)(=O)C[C@@H]1CCCO1	178609568	DDEQHECCKAJSEV-LBPRGKRZSA-N	285.365	1.333	10	20	CDCD	
COC[C@@H]1CN(Cc2cccc(C)c2O)CCO1	180327034	LCPOHRTUOSQOPM-ZDUSSCGKSA-N	251.326	1.548	10	20	CDCD	
Cc1nnccc1C(=O)N(C)Cc1ccccc1O	701798570	UVOHJMGZVRCFAW-UHFFFAOYSA-N	257.293	1.763	10	20	CDCD	
NC(=O)CC[C@@H]1CCCN(Cc2ccccc2O)C1	179564909	JCVCQXRVYGAJBV-LBPRGKRZSA-N	262.353	1.870	10	20	CDCD	
Cc1ccc(C(=O)NC[C@@H](C)C[C@H](C)O)c(O)c1O	179512748	LSUBQQJLDUBVKJ-WPRPVWTQSA-N	267.325	1.543	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)[C@H]1CC(=O)N(C)C1	170731965	CVCLPAWJGHNALL-ZDUSSCGKSA-N	290.363	1.609	10	20	CDCD	
Cc1cc(O)c(CN(CCO)C2CCN(C)CC2)cc1C	305180528	HHRZXBOPIQTQIT-UHFFFAOYSA-N	292.423	1.898	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cnccn1	183462788	VLOSLCPXJTVPSY-SECBINFHSA-N	273.292	1.249	10	20	CDCD	
C[C@H](NC[C@@H](C)N1CCN(C)CC1)c1ccc(F)cc1O	185364213	MHWWTYPFBQYYNT-OLZOCXBDSA-N	295.402	1.818	10	20	CDCD	
COCCS(=O)(=O)Nc1ccc(O)c(Cl)c1	82879717	OSNQVLSWLRZCDM-UHFFFAOYSA-N	265.718	1.434	10	20	CDCD	
Nc1ccc(CCNC(=O)[C@H]2CSCCS2)cc1	238128887	QNLLOMOEVWWMAW-GFCCVEGCSA-N	282.434	1.776	10	20	CDCD	
Cc1c(CNC(=O)CCn2ccnn2)n(C)c2ccccc12	338461792	HTLIZBIIVUGKDQ-UHFFFAOYSA-N	297.362	1.785	10	20	CDCD	
COC[C@@H](CCO)N[C@@H]1CCc2cccc(O)c21	297861588	UCSSRLKKWUBTCM-VXGBXAGGSA-N	251.326	1.367	10	20	CDCD	
Cc1nnccc1C(=O)NCc1ccc(N(C)C)cc1	269897031	NIMRYKMEKPTMLV-UHFFFAOYSA-N	270.336	1.781	10	20	CDCD	
CCN(CCO)C(=O)NCc1ccc(N2CC=CC2)cc1	265967243	SLJNNVBTPCTRKO-UHFFFAOYSA-N	289.379	1.587	10	20	CDCD	
CCCOc1ccc(CN[C@@H](C(=O)OC)[C@@H](C)O)c(O)c1	276510761	TWHKIVLEMFHNMU-QMTHXVAHSA-N	297.351	1.193	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)N[C@H]2CC(=O)N(C)C2)c1	273619340	YOENXKOAIKXVNM-KOLCDFICSA-N	292.335	1.060	10	20	CDCD	
Cn1nc2c(c1NC(=O)/C=C/c1ccc(O)c(O)c1)CCC2	272488336	RIBRKXLCYRSUQO-SOFGYWHQSA-N	299.330	1.972	10	20	CDCD	
C[C@](O)(CNCc1cc([N+](=O)[O-])ccc1O)C(F)(F)F	270460550	FMLAYVRLEXDVRV-JTQLQIEISA-N	294.229	1.703	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)c1cc2n(n1)CCO2	289857277	OGCGMDRDOGDKBL-UHFFFAOYSA-N	273.292	1.253	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)Cc2cncn2C)c1	806794082	WZDGWKWQYNPAGX-SNVBAGLBSA-N	289.335	1.554	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN(C(C)C)C2COC2)c1O	295929720	FNHYOEFIORIVBI-UHFFFAOYSA-N	296.323	1.918	10	20	CDCD	
COC(=O)c1cnc(SCC(=O)NCC2CC2)s1	295349298	QOATXYOUEYRSFB-UHFFFAOYSA-N	286.378	1.548	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)CCCN)c1	828667531	SATFOWJXEKUDDB-SECBINFHSA-N	252.314	1.317	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNC2([C@@H](C)O)CC2)c1O	827586445	XZCJQMPDHFPCIU-MRVPVSSYSA-N	282.296	1.312	10	20	CDCD	
CCCCS(=O)(=O)CC(=O)N[C@H](C)c1ccccc1O	828540131	YPNXGJVDPDZWSK-LLVKDONJSA-N	299.392	1.784	10	20	CDCD	
O=C(O)[C@@H]1CN(C(=O)/C=C/c2cnccn2)c2ccccc21	492983919	IGJWEVGRXDZKQJ-URWSZGRFSA-N	295.298	1.705	10	20	CDCD	
CC[C@@H](N)C(=O)NCc1ccc(N2CCCC2)cc1	827005792	YJZUAYDAUKSXQA-CQSZACIVSA-N	261.369	1.640	10	20	CDCD	
Cc1nc(C)n(C2CN(C(=O)c3cc(O)cs3)C2)n1	820048427	VHTMVLLXTTWRPX-UHFFFAOYSA-N	278.337	1.359	10	20	CDCD	
CC[C@H](O)[C@@H](C)C(=O)N[C@@H](C)c1cc(OC)ccc1O	901128046	UDBLILBIGCTLNI-NRUUGDAUSA-N	281.352	1.985	10	20	CDCD	
COc1ccc(CNC(=O)c2cncnc2C2CC2)c(O)c1	836784995	KURHQMVXDQPFOK-UHFFFAOYSA-N	299.330	1.998	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)[C@@H]1CCc2cncn2C1	910944555	OFMSRIRNPASZIT-LLVKDONJSA-N	287.319	1.173	10	20	CDCD	
C[C@H]1C[C@@H](NC(=O)N(C)Cc2ccccc2O)CCN1	841990066	XYELTMKXIIZFBK-AAEUAGOBSA-N	277.368	1.674	10	20	CDCD	
CO[C@@H](C)CCNC(=O)NCCc1ccc(N)cc1	841776677	OIIQEJCHJGHNQN-NSHDSACASA-N	265.357	1.536	10	20	CDCD	
CN(C)c1ccc(CNC[C@@H]2C[C@H](F)CN2)cc1	841079222	NSPULXDZTGZTKY-STQMWFEESA-N	251.349	1.542	10	20	CDCD	
CNCCc1ccccc1C(=O)N(C)c1cn[nH]c1	844191034	OTBGRACUGQTDPD-UHFFFAOYSA-N	258.325	1.448	10	20	CDCD	
C[C@H]1CCN(C(=O)C(=O)Nc2ccc(N)cc2)CCS1	841118165	NDXBAHDNNPFJSG-JTQLQIEISA-N	293.392	1.561	10	20	CDCD	
CC[C@@H](NC[C@H](O)Cn1ccnn1)c1ccc(C)cc1O	840802354	IBZQLQGRAWXZJK-GXTWGEPZSA-N	290.367	1.394	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1CCNC(=O)[C@@H]1C	840912590	KDINBYUAGZQNFY-LBPRGKRZSA-N	261.369	1.381	10	20	CDCD	
CCOc1ccc(O)c(CN2CCN[C@H](C)[C@H]2C)c1	843057844	MMBNDQHHTLOTTE-VXGBXAGGSA-N	264.369	1.973	10	20	CDCD	
Cc1ccc(O)c(CNC[C@@H]2CC(=O)N(C3CC3)C2)c1	846074579	DHNSBORNDNYDQZ-LBPRGKRZSA-N	274.364	1.801	10	20	CDCD	
COC(=O)C[C@@H](NC(=O)c1cc(O)cs1)C1CC1	754036198	ISIREMVMFUQBAQ-SECBINFHSA-N	269.322	1.525	10	20	CDCD	
C[C@@H]1C[C@@H](N[C@@H]2CC(=O)N(C)C2)c2c(O)ccc(F)c21	756524597	HOPRLCIFOBKOBH-FXPVBKGRSA-N	278.327	1.900	10	20	CDCD	
CON(C)C(=O)[C@@H](C)N[C@@H](C)c1cc(F)ccc1O	858587407	NLJAPNKYKNAZOH-DTWKUNHWSA-N	270.304	1.590	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)C1(c2ccccn2)CC1	866757381	RSGQISFUGVWHKH-UHFFFAOYSA-N	298.342	1.883	10	20	CDCD	
CN(C[C@H]1C[C@@H](O)C1)C(=O)/C=C\c1ccc(O)c(O)c1	863383014	GUNYLXDYCUKXIX-BFJGBIGKSA-N	277.320	1.340	10	20	CDCD	
Cc1ccn(C[C@H](C)C(=O)NCc2ccccc2O)n1	866755495	JWOBJOAAIIRWPO-NSHDSACASA-N	273.336	1.850	10	20	CDCD	
CCOC(=O)C[C@H](O)COc1ccc(N2CCCC2)cc1	863459674	QVEACYFKOGYALW-AWEZNQCLSA-N	293.363	1.980	10	20	CDCD	
C[C@@H]1C[C@H](O)CN1Cc1ccc(N2CCC(O)CC2)cc1	877468106	YWGAZKSACHRSNX-DYVFJYSZSA-N	290.407	1.603	10	20	CDCD	
Cc1ccc(CNCCN(C)CC(F)F)c(O)c1	877662496	TXOXVJKEVCAWRN-UHFFFAOYSA-N	258.312	1.987	10	20	CDCD	
O=C1CCCN1[C@@H]1CCCN(Cc2ccccc2O)C1	770510504	MVYDPYRXVMJJBE-CQSZACIVSA-N	274.364	1.979	10	20	CDCD	
CC[C@@](C)(O)CNCc1ccc(N2CCC(O)CC2)cc1	876914721	HBNMPYIZPHAEHY-QGZVFWFLSA-N	292.423	1.898	10	20	CDCD	
Cc1cc(O)ccc1NS(=O)(=O)N1CC[C@@H](C)C1	777934323	QMUCDDIAGHUGFG-SECBINFHSA-N	270.354	1.699	10	20	CDCD	
CCOCCONC(=O)NCc1cccc(OC)c1O	776196927	MWUMAZNSDDOEIW-UHFFFAOYSA-N	284.312	1.168	10	20	CDCD	
CN1C[C@H](NCc2cc(Cl)cc(F)c2O)CC1=O	776151662	SCFLOAXTUIGIFD-SECBINFHSA-N	272.707	1.505	10	20	CDCD	
C[C@@H]1[C@@H](C)N(C(=O)/C=C\c2ccc(O)c(O)c2)CCN1C	779547134	IYJUXJQJLIKIPR-LWSHCTJVSA-N	290.363	1.662	10	20	CDCD	
CCOc1ccc(CN2C[C@H]3C[C@@]3(CO)C2)c(O)c1	783735317	PGGFGEUUKTVELI-DOMZBBRYSA-N	263.337	1.605	10	20	CDCD	
Cc1ccc(C(=O)N2CCN(C)CC2(C)C)c(O)c1O	781000273	HMZBRUYSICFFME-UHFFFAOYSA-N	278.352	1.572	10	20	CDCD	
COc1ccc(N2CC[C@H](CNC[C@@H](C)O)C2)cc1	76360863	QSVCHWLWSAHBMC-CHWSQXEVSA-N	264.369	1.492	10	20	CDCD	
Nc1ccc(CCNC(=O)COC2CCCC2)cc1	269150836	PVOPIEQSNISWBR-UHFFFAOYSA-N	262.353	1.887	10	20	CDCD	
C[C@@]1(CO)C[C@H](O)CN1Cc1cc(Cl)ccc1O	895329335	JEYBUOOTQXQHAS-AAEUAGOBSA-N	271.744	1.363	10	20	CDCD	
COc1cc(OC)nc(NCc2ccccc2O)n1	83444253	XIJZGIYQBXLTFW-UHFFFAOYSA-N	261.281	1.812	10	20	CDCD	
CC[C@@H](NCc1ccc(OC)c(OC)c1O)[C@@H](C)O	894736274	SPPRQYCDAVABON-MWLCHTKSSA-N	269.341	1.658	10	20	CDCD	
COc1ccc(CNC(=O)Cc2ccc(C)nc2)c(O)c1	794376152	BFLFPQWMYWDNPA-UHFFFAOYSA-N	286.331	1.963	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@H](O)Cc2ccccc2)cc1	792846783	AGABGGUBGCFVOM-KRWDZBQOSA-N	298.386	1.972	10	20	CDCD	
COc1ccc(CNC(=O)[C@@H]2CO[C@H](C)C2)c(O)c1	794373432	JRLCGSSASMGRBN-KOLCDFICSA-N	265.309	1.442	10	20	CDCD	
CN(Cc1ccccc1O)c1cncc2ncnn12	786793089	MSUNGWYKLBKOAP-UHFFFAOYSA-N	255.281	1.466	10	20	CDCD	
CNC[C@@H](C)CNC(=O)NCc1ccc(OC)cc1O	1325367056	UNMKNZCUOWELJO-SNVBAGLBSA-N	281.356	1.056	10	20	CDCD	
c1cc(N2CCCC2)ccc1CNC[C@@H]1COCO1	1335072422	ONMUQIFLAXJLTN-OAHLLOKOSA-N	262.353	1.749	10	20	CDCD	
CC(C)=CCNC(=O)C(=O)NCCc1ccc(N)cc1	1331490405	XJWNYOBXEFIEPI-UHFFFAOYSA-N	275.352	1.010	10	20	CDCD	
C[C@]1(N)CCCC[C@@H]1C(=O)NCc1ccc(N)cc1	1343567879	UIXBJIYUVXYQNV-HIFRSBDPSA-N	261.369	1.793	10	20	CDCD	
C[C@@H]1c2nncn2CCN1C(=O)Cc1ccc(N)cc1	1261495598	MSCWZHINNNDMTO-SNVBAGLBSA-N	271.324	1.006	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CCOC1=O	1350930230	NKKBEUJDVLFSSA-ZDUSSCGKSA-N	291.351	1.176	10	20	CDCD	
C[C@H](CN(C(=O)c1cccc(O)c1O)C1CC1)C(=O)O	1604152228	AVZPDMFPESTZSJ-MRVPVSSYSA-N	279.292	1.423	10	20	CDCD	
CCCN(CC(=O)O)C(=O)c1ccc(N=NC(N)=O)cc1	1603661758	NNHWRSAPDJRIFD-UHFFFAOYSA-N	292.295	1.786	10	20	CDCD	
COCCN(CCC(=O)O)Cc1cc(C)cc(OC)c1O	1606886831	GUYYVPZRLBMYBT-UHFFFAOYSA-N	297.351	1.632	10	20	CDCD	
CO[C@H](C)[C@@H](C)N[C@H](C)c1cccc(-c2nn[nH]n2)c1O	1605005317	GMKMCCCSFZLUIB-OPRDCNLKSA-N	291.355	1.646	10	20	CDCD	
O=C(OCc1ccoc1C(=O)O)c1cccc(O)c1O	1609025057	AQFIYCWRYVMHSB-UHFFFAOYSA-N	278.216	1.746	10	20	CDCD	
C[C@H](NC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2)c1ccccc1O	1579485543	WZGSZUZEUBVRLB-LFSVMHDDSA-N	275.352	1.645	10	20	CDCD	
CN1C(=O)C(=Cc2cccc(Cl)c2F)C(=O)N(C)C1=O	159864556	SUJRJUAPDLGBJA-UHFFFAOYSA-N	296.685	1.913	10	20	CDCD	
C[C@@H](C[C@@H]1CCC(=O)N1)NCc1ccc2c(c1)CCO2	924902121	XAIROYUHSWDFIQ-FZMZJTMJSA-N	274.364	1.768	10	20	CDCD	
Cc1cccc(CNC[C@H]2CN3CCC[C@H]3CO2)c1O	252762919	ZIMBLQLNGZYLDE-GJZGRUSLSA-N	276.380	1.653	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NCc2nc(C)no2)c1	38034470	JBTCSWVNLNMOGT-MRVPVSSYSA-N	263.297	1.943	10	20	CDCD	
C[C@@H]1[C@H](NCc2c(O)cccc2Cl)CCS1(=O)=O	311238195	XMZFVJFLJXCWRV-LDYMZIIASA-N	289.784	1.711	10	20	CDCD	
C[C@H]1CCN(C(=O)Nc2ccc(N)cc2)C[C@@H]1CO	700379796	XIBWPFOVXILDJH-WDEREUQCSA-N	263.341	1.751	10	20	CDCD	
CCOc1cccc(CN[C@@H]2CC(=O)N(CC)C2)c1O	391550481	SNAMRCHICGHSSM-GFCCVEGCSA-N	278.352	1.501	10	20	CDCD	
CN(CC1(O)CCC1)C(=O)c1cccc(O)c1O	790933452	ROIFCWDGNUTDEY-UHFFFAOYSA-N	251.282	1.085	10	20	CDCD	
Cn1cc(C(=O)NCc2c(O)ccc3c2CCCC3)cn1	174514702	KGSHGIQAZVLJBD-UHFFFAOYSA-N	285.347	1.935	10	20	CDCD	
COCCN(CC(=O)N(C)C)Cc1cc(C)c(C)cc1O	119901924	LNPMYASWZWEGCA-UHFFFAOYSA-N	294.395	1.546	10	20	CDCD	
CN(C)c1ccc(CNS(=O)(=O)c2ccco2)cc1	188572331	DUJLHABXFVEGGY-UHFFFAOYSA-N	280.349	1.824	10	20	CDCD	
CSCC[C@H](C)NC(=O)c1cccc(O)c1O	126546458	OLEZTDLWJDFGTC-QMMMGPOBSA-N	255.339	1.969	10	20	CDCD	
Oc1ccc(Br)cc1CN1CCCNCC1	219383894	CHECIRHDJOPCLX-UHFFFAOYSA-N	285.185	1.950	10	20	CDCD	
CCOCCNC(=O)/C=C/c1ccc(O)c(O)c1	180669676	JHYFQUNHECDLPL-GQCTYLIASA-N	251.282	1.264	10	20	CDCD	
CCOc1cccc(CN2CC[C@H](C(=O)O)C2)c1O	86790422	SXYBMURWYMZGEI-NSHDSACASA-N	265.309	1.697	10	20	CDCD	
Oc1ccc(Br)cc1CN1CC(O)C1	297516020	WIMNZMJJUGUSOE-UHFFFAOYSA-N	258.115	1.331	10	20	CDCD	
CN(C)c1ccc(CNC(=O)Cn2ccsc2=O)cc1	269497007	VINQNPVQJLOPMP-UHFFFAOYSA-N	291.376	1.292	10	20	CDCD	
COc1cccc(CNC(=O)/C=C/CN(C)C)c1O	269178747	KMRRTSNEDWHFRH-VMPITWQZSA-N	264.325	1.135	10	20	CDCD	
CC(=O)C[C@H]1COCCN1C(=O)c1ccc(C)c(O)c1O	274796358	NVXFKLSCZKPKRL-NSHDSACASA-N	293.319	1.226	10	20	CDCD	
CCCCOC(=O)CNC(=O)c1cccc(O)c1O	280379871	DMKOSRBKDUFWPX-UHFFFAOYSA-N	267.281	1.171	10	20	CDCD	
CC(=O)C(=O)CSc1nnnn1-c1cccc(C)c1C	289636266	MTHNRJDCCSGUDL-UHFFFAOYSA-N	290.348	1.529	10	20	CDCD	
COc1cccc(CNC(=O)[C@@H](O)C(C)C)c1O	292331225	XDKIQOUPNJBDOR-NSHDSACASA-N	253.298	1.034	10	20	CDCD	
COCC[C@H]1COCCN1Cc1cc(OC)ccc1O	291344575	WIWWKIPWPAAETC-ZDUSSCGKSA-N	281.352	1.638	10	20	CDCD	
CCN1CCN(C(=O)c2cc(O)cs2)[C@H](C)C1	807689418	RALXGWOSCIMEGG-SECBINFHSA-N	254.355	1.620	10	20	CDCD	
CC(=O)N[C@H](CC(=O)OCC(=O)C(C)=O)c1cccs1	808490061	AIXJUYRSCJZYJB-SNVBAGLBSA-N	297.332	1.017	10	20	CDCD	
COc1ccc2c(c1)CCCN2Cc1cnn(C)n1	809934561	XHBDTJSTYXYLBC-UHFFFAOYSA-N	258.325	1.777	10	20	CDCD	
CC(C)OCCONC(=O)c1cccc(O)c1O	812809144	RMTWVYLVQVOYSK-UHFFFAOYSA-N	255.270	1.184	10	20	CDCD	
C[C@@]1(C(=O)O)CCN(C(=O)c2cc(O)cs2)C1	828012640	IDWZAORLBLOLLV-LLVKDONJSA-N	255.295	1.391	10	20	CDCD	
CC(C)(CCC(=O)NCc1ccccc1O)[N+](=O)[O-]	825658393	HJNQNJOOKOVPFX-UHFFFAOYSA-N	266.297	1.844	10	20	CDCD	
O=C(O)C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1	821508645	CUGVAOIURPCZNQ-DUXPYHPUSA-N	291.303	1.434	10	20	CDCD	
CCC[C@](C)(NC(=O)c1cc(O)cs1)C(=O)OC	823199580	ZBDBFXIKLZNKCT-LBPRGKRZSA-N	271.338	1.915	10	20	CDCD	
C[C@H](NCC1(N)CC1)c1ccc(N2CCOCC2)c(F)c1	902417726	ZJJLTHQKKUFLAF-LBPRGKRZSA-N	293.386	1.804	10	20	CDCD	
O=C(NCc1c(O)ccc2c1CCCC2)[C@@H](O)C1CC1	830559761	VGLKUAODUGQQBW-HNNXBMFYSA-N	275.348	1.658	10	20	CDCD	
Cc1cc(C[C@@H](C)NC(=O)Cc2ccc(N)cc2)n[nH]1	831406126	JKJLOCOJTDZUMN-SNVBAGLBSA-N	272.352	1.590	10	20	CDCD	
C[C@H]1COC[C@@H]1NC(=O)NCc1ccc(N(C)C)cc1	902962526	GFAIEFQZTCRVNS-FZMZJTMJSA-N	277.368	1.587	10	20	CDCD	
NC(=O)c1ccc(COC(=O)c2cc(O)cs2)cc1	731909675	IQDWARNJPRVBJW-UHFFFAOYSA-N	277.301	1.910	10	20	CDCD	
COC(=O)NCCC(=O)NCc1cc(Cl)ccc1O	846475229	DQZDBJHMFNYZLE-UHFFFAOYSA-N	286.715	1.408	10	20	CDCD	
COC[C@](C)(CO)NCc1ccc(N(C)C)cc1C	840936064	GCTJCQRIZVLCQG-HNNXBMFYSA-N	266.385	1.548	10	20	CDCD	
CCNCCCNC(=O)NCc1ccc(N(C)C)cc1C	841827353	MGHNKDWILXFICV-UHFFFAOYSA-N	292.427	1.860	10	20	CDCD	
O=C(C[C@@H]1CCCCO1)NCc1ccc(O)cc1O	910951927	YMPCGHSWRQASTF-LBPRGKRZSA-N	265.309	1.673	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@@H]2[C@H]3CCC(=O)[C@@H]32)c1	913000722	SSZPTLCPFJWBMK-ZLKJLUDKSA-N	259.305	1.542	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2n[nH]c(C)c2O)c1	749244485	RTMROYGGFKCXHO-SSDOTTSWSA-N	291.307	1.629	10	20	CDCD	
CN(CCc1cnn(C)c1)c1ccc(OCC(=O)O)cc1	846279441	DZUNPAXOOPGANO-UHFFFAOYSA-N	289.335	1.562	10	20	CDCD	
C[C@H](NC(=O)N[C@H]1CCNC1)c1ccc(N(C)C)cc1	841882650	MCTZQJQNFOBNHF-AAEUAGOBSA-N	276.384	1.475	10	20	CDCD	
CN(C)c1cc(F)c(CN[C@H](CO)CCF)cc1F	858183554	HZPCUIDPRBCZCU-JTQLQIEISA-N	276.302	1.841	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)OC[C@@H]1CCOC1	759596878	WCUXUHPVHLAAON-JRBALWBOSA-N	264.277	1.691	10	20	CDCD	
COc1cccc(O)c1CN1CCc2c[nH]nc2C1	769468762	OIMYMPKCRJOCOF-UHFFFAOYSA-N	259.309	1.682	10	20	CDCD	
O=C(N=c1cc[nH]cc1F)NCc1ccccc1O	760019995	RLIKAKZZBUPDEB-UHFFFAOYSA-N	261.256	1.670	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC[C@@H]1COCCN1	863650134	OQVLLCZDWMATAR-CQSZACIVSA-N	263.385	1.139	10	20	CDCD	
C[C@@H](O)C[C@@H]1CCCN1C(=O)c1cc(O)cs1	765143268	MZQTVCLZMTWSLL-BDAKNGLRSA-N	255.339	1.829	10	20	CDCD	
C[C@@H](NS(=O)(=O)N1C[C@H]2CC[C@H]1C2)c1ccccc1O	867834924	VBDNIWBDXRPDQV-WOPDTQHZSA-N	296.392	1.772	10	20	CDCD	
CC(C)NC(=O)COC(=O)/C=C\c1ccc(O)c(O)c1	772777489	VTXZVOGXDUNMKV-XQRVVYSFSA-N	279.292	1.179	10	20	CDCD	
Cc1ccc(CNCC2(N3CCOCC3)CC2)c(O)c1	877477989	JKPYUMIOUHUKPJ-UHFFFAOYSA-N	276.380	1.655	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2ccc(C(=O)O)nc2)cc1	879582668	MMZCISQJZOROLY-UHFFFAOYSA-N	299.330	1.776	10	20	CDCD	
COC(=O)C(C)(C)N(C)C(=O)/C=C\c1ccc(O)c(O)c1	779515422	WLJLHYHWJCHNCF-VURMDHGXSA-N	293.319	1.521	10	20	CDCD	
C[C@@]1(CNCc2cc(F)cc(F)c2O)CCC(=O)N1	883140592	YTDFXRKQZLUJBY-ZDUSSCGKSA-N	270.279	1.429	10	20	CDCD	
COc1ccc(O)c(CNc2nccn3cnnc23)c1	771214540	RAQTYVYTYYMZON-UHFFFAOYSA-N	271.280	1.451	10	20	CDCD	
Oc1c(F)cc(F)cc1CN[C@H]1CCc2nnnn2CC1	883148065	SXEAMHCLGBKADY-JTQLQIEISA-N	295.293	1.152	10	20	CDCD	
CCN1CCN(C(=O)NCc2ccc(N)cc2)CC1	1120681565	KTAAPOHGHMVSGR-UHFFFAOYSA-N	262.357	1.116	10	20	CDCD	
COCCC[C@H](C)C(=O)OCC(=O)c1ccc(O)c(O)c1	784582239	JJQZIJFMZLMVEB-JTQLQIEISA-N	296.319	1.886	10	20	CDCD	
COc1cc(C)cc(CN[C@@H](C)c2n[nH]c(C)n2)c1O	894778917	VERKAEAWRVSAIG-VIFPVBQESA-N	276.340	1.987	10	20	CDCD	
COc1ccc(CN[C@@]2(C)CCOC2)c(O)c1OC	893242074	UGYQBAPIHIDEPJ-AWEZNQCLSA-N	267.325	1.678	10	20	CDCD	
CC[C@@H](NC[C@@]1(O)CCN(C)C1)c1ccccc1O	702636415	MLGNNQPIQRSVOU-HIFRSBDPSA-N	264.369	1.500	10	20	CDCD	
C[C@@H](CC(N)=O)NCc1ccc(Br)cc1O	691431579	WOXCOACKDSQJOW-ZETCQYMHSA-N	287.157	1.508	10	20	CDCD	
C[C@@H]1OCC[C@@]1(C)NC(=O)NCc1ccc(N)cc1	1337017643	APYVASCDBNVANX-IINYFYTJSA-N	263.341	1.636	10	20	CDCD	
Cn1cnc(/C=C/C(=O)N2C[C@H](CCN)c3ccccc32)c1	1263173490	CGLDVZOOUVGBES-YBJDMEARSA-N	296.374	1.913	10	20	CDCD	
CCOCCc1nnc(N(C)Cc2ccccc2O)n1C	1340029084	DUSCRUBANAQJPS-UHFFFAOYSA-N	290.367	1.736	10	20	CDCD	
CCN1CCCC[C@H]1CNC(=O)NCc1ccc(N)cc1	1262572483	VVTKEDILULDSGL-HNNXBMFYSA-N	290.411	1.942	10	20	CDCD	
C[C@@H](NC[C@H]1CNCCCO1)c1cc(C(=O)O)ccc1O	1604338465	OKXNQVKLCZSEEH-ZYHUDNBSSA-N	294.351	1.120	10	20	CDCD	
Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC(=O)O)C2)c(O)c1O	1600334347	PLDBJTOLWUPHJK-NXEZZACHSA-N	293.319	1.589	10	20	CDCD	
O=C(O)[C@@]12C[C@@H](NCc3cc(F)cc(F)c3O)[C@@H]1C2	1777658562	IUJVIXXDDPEMAI-PLMOITTCSA-N	269.247	1.623	10	20	CDCD	
C[C@H](C[S@](C)=O)NCc1cccc(Cl)c1O	164408193	VXUWULBFUOZIKV-VPTHRUTESA-N	261.774	1.902	10	20	CDCD	
CCN(CC)c1ccc(CN[C@H](CO)COC)cc1	233453118	YMVLCNPVMZKMNP-CQSZACIVSA-N	266.385	1.630	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@H]2C[C@@H](N)C2(C)C)cc1	876713831	UJCBKEBFFHXGJF-ZIAGYGMSSA-N	275.396	1.742	10	20	CDCD	
COC[C@H](C)n1cc(COc2ccc(N)cc2)nn1	881317279	JLXYQZGLKNWTNJ-JTQLQIEISA-N	262.313	1.647	10	20	CDCD	
C[C@H](Cn1cccn1)NC(=O)Cc1ccc(N)cc1	36999164	MSDXXMJEKBSBKH-LLVKDONJSA-N	258.325	1.213	10	20	CDCD	
COCCCS(=O)(=O)N(C)Cc1ccccc1O	175125565	NUFODMMYLPCVJM-UHFFFAOYSA-N	273.354	1.190	10	20	CDCD	
C[C@@H](NCCCN1CCOCC1)c1ccc(F)cc1O	62745095	LQNCREMYGAQHAU-GFCCVEGCSA-N	282.359	1.904	10	20	CDCD	
CN(C)[C@@H]1CCC[C@H]1NC(=O)c1cccc(O)c1O	832495804	ICSQPHMLFXBVPB-GHMZBOCLSA-N	264.325	1.310	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2ncccc2O)c1	114541389	AVGJBMXZKJNZNE-UHFFFAOYSA-N	274.276	1.431	10	20	CDCD	
CNC(=O)CNC(=O)c1cc(C)n(-c2ccccc2C)c1C	25599067	HARJFLLPYIVXID-UHFFFAOYSA-N	299.374	1.878	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)[C@@H]1Cc2ccccc2O1	178445393	KVIVSCQOPGNDLX-HNNXBMFYSA-N	285.299	1.718	10	20	CDCD	
CC[C@@H](C)N(C)CCNC(=O)NCc1ccccc1O	66192377	WVWWRAHRQUXKEH-GFCCVEGCSA-N	279.384	1.922	10	20	CDCD	
CN1CCN(C)[C@H](CNCc2cccc(Cl)c2O)C1	124817338	BIWOAIXNJZNAJX-GFCCVEGCSA-N	283.803	1.381	10	20	CDCD	
Cc1nnc(CN(C)c2ccc3c(c2)OCO3)n1C	121420729	JJVVSDLXNXBIQQ-UHFFFAOYSA-N	260.297	1.489	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)Nc1nccn(C)c1=O	184147425	LMRCYFZQQOYYRZ-SECBINFHSA-N	275.308	1.235	10	20	CDCD	
O=C(NC[C@H](O)c1ccccc1F)c1cccc(O)c1O	187161447	XRFHCFCIOGKFGG-ZDUSSCGKSA-N	291.278	1.700	10	20	CDCD	
CC[C@H](COC)NC(=O)c1ccc(C)c(O)c1O	182485315	JGZQAYDLMIAMMU-SECBINFHSA-N	253.298	1.561	10	20	CDCD	
CC(C)(C)NC(=O)NC(=O)CSc1nccs1	48874333	KZZXXBVTNJEIDJ-UHFFFAOYSA-N	273.383	1.860	10	20	CDCD	
COc1ccc(O)c(CN2CCC[C@H]2C(=O)O)c1	86726800	IQPLHEKMHCSGPG-NSHDSACASA-N	251.282	1.450	10	20	CDCD	
O=C(NCc1ccccc1O)c1ccc(Cl)nn1	228409796	PJXFOQSPVPVIQN-UHFFFAOYSA-N	263.684	1.766	10	20	CDCD	
CCCOC(=O)CCNC(=O)Cc1ccc(N)cc1	236874967	KUBKDHDSJPYYQX-UHFFFAOYSA-N	264.325	1.271	10	20	CDCD	
Cc1cc(Br)cc(CN2CCNCC2)c1O	258568495	OLJKBUULRBVDDQ-UHFFFAOYSA-N	285.185	1.868	10	20	CDCD	
C/C=C/C[C@@H](CO)NCc1ccc([N+](=O)[O-])c(OC)c1O	278505560	ORPDIMCJHVOONZ-UFFNRZRYSA-N	296.323	1.726	10	20	CDCD	
O=C(c1c(F)ccc(O)c1O)N1CCC(CO)CC1	276502880	CNNANBTUGGLIOM-UHFFFAOYSA-N	269.272	1.081	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNC[C@H](C)C[C@H](C)O)c1O	278480018	JCEMYWNDLOMLQD-ZJUUUORDSA-N	298.339	1.806	10	20	CDCD	
CC(=O)C(=O)COC(=O)/C=C\c1ccc([N+](=O)[O-])cc1	808487853	JRTWIJNCOUUVIY-DAXSKMNVSA-N	277.232	1.309	10	20	CDCD	
CCOCc1cc(CNC[C@@H](O)COC)ccc1OC	801733240	USGRGABQTRTUDF-CQSZACIVSA-N	283.368	1.329	10	20	CDCD	
COCC[C@@H]1COCCN1Cc1ccccc1O	291024148	AORWYUINXRRJAH-CYBMUJFWSA-N	251.326	1.630	10	20	CDCD	
C[C@H](NC[C@@H]1C[C@H](F)CN1)c1cc(F)ccc1O	817976779	TXEZGJHKZYHIFI-LSJOCFKGSA-N	256.296	1.882	10	20	CDCD	
Cc1cc(NS(=O)(=O)N2C[C@H]3CC[C@H]2C3)ccc1O	821190544	AWDSELUMXLBLQA-JQWIXIFHSA-N	282.365	1.842	10	20	CDCD	
CCCNC(=O)CCCC(=O)NCc1ccc(N)cc1	837303086	ULXALVKHJXKIGY-UHFFFAOYSA-N	277.368	1.582	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@]1(C)CCNC1	831044780	MKVMNCWPKLMUNB-MRXNPFEDSA-N	290.411	1.612	10	20	CDCD	
C[C@H](O)[C@@H]1CCCCN1C(=O)c1cc(O)cs1	831732433	JLQXZADCNHXZFF-WPRPVWTQSA-N	255.339	1.829	10	20	CDCD	
CC(C)OCCC(=O)NC[C@H](N)c1ccc(N(C)C)cc1	832299824	JWKQQUNZLSXHAM-HNNXBMFYSA-N	293.411	1.684	10	20	CDCD	
CC[C@H]1COCCN1C(=O)NCCc1ccc(N)cc1	841954987	SMRAWXMVTNRUBK-AWEZNQCLSA-N	277.368	1.632	10	20	CDCD	
Cc1n[nH]c(C)c1[C@@H](C)NC(=O)c1cccc(O)c1O	910068759	JHOUEGNREJGEEW-SSDOTTSWSA-N	275.308	1.929	10	20	CDCD	
C[C@@H](CNCc1cc(Cl)cc([N+](=O)[O-])c1O)C(=O)O	848636977	AAQWCOTYUUXYKP-LURJTMIESA-N	288.687	1.764	10	20	CDCD	
COc1cccc(CNC(=O)C2(C(=O)O)CCCC2)c1O	911337132	NYVDZAUVCJBBSQ-UHFFFAOYSA-N	293.319	1.662	10	20	CDCD	
CO[C@@H](C)CCC(=O)N(CC(=O)O)Cc1ccccc1O	911489358	BJCQAIYAPYWDNP-NSHDSACASA-N	295.335	1.621	10	20	CDCD	
C[C@@H]1CN(Cc2cc3c(cc2O)OCO3)[C@H](C)CN1	843119761	IROLQJLTTCHIBW-NXEZZACHSA-N	264.325	1.303	10	20	CDCD	
CC(C)(C(=O)O)C(=O)NCc1c(O)ccc2c1CCCC2	843330493	ZHTKWYSVKYSHME-UHFFFAOYSA-N	291.347	1.998	10	20	CDCD	
C[C@@H]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(N)cc2)C1	841121522	VSVKLHIBMIXJLJ-GHMZBOCLSA-N	275.352	1.760	10	20	CDCD	
Cc1ncc2n1C[C@@H](C(=O)Nc1ccc(N)cc1)CC2	911661494	VPQSAQHAQBKKHO-NSHDSACASA-N	270.336	1.975	10	20	CDCD	
C[C@@H](CCO)CCNC(=O)NCCc1ccc(N)cc1	841955937	RVNJOZSWYFNIBF-GFCCVEGCSA-N	279.384	1.519	10	20	CDCD	
CC[C@@H](CO)N1CCCN(c2ccc(OC)cc2)CC1	929314677	CRGIEMZWXJQBNQ-AWEZNQCLSA-N	278.396	1.978	10	20	CDCD	
COc1ccc(N2CCN(CC[N+](=O)[O-])CC2)c(OC)c1	931530732	OKWDZNVVCBOQFH-UHFFFAOYSA-N	295.339	1.103	10	20	CDCD	
CCCn1cc(/C=C(/C(=O)OCC)c2nccn2C)nn1	865218806	PIFXOVJZQWTCOC-FMIVXFBMSA-N	289.339	1.525	10	20	CDCD	
C[C@@H]1C(=O)N(Cc2ccc(N(C)C)cc2)C(=O)N1C	760951947	VZXWOCJOURLXAU-SNVBAGLBSA-N	261.325	1.535	10	20	CDCD	
COC(=O)[C@@H](O)C1CCN(Cc2ccc(C)cc2O)CC1	876810479	VWLZPSNJQVTEJU-HNNXBMFYSA-N	293.363	1.447	10	20	CDCD	
C[C@@H]1CN(Cc2ccc(N3CCN(C)CC3)cc2)CCO1	775645883	SNFFZKOSLXUFMY-OAHLLOKOSA-N	289.423	1.659	10	20	CDCD	
CN(C)CCNC(=O)c1ccc(CN=[N+]=[N-])s1	1537962896	IESIMCYUARUQSL-UHFFFAOYSA-N	253.331	1.850	10	20	CDCD	
CC[C@H](O)CCCNCc1ccc([N+](=O)[O-])c(OC)c1O	775021989	BQRKALYRPFKFSA-NSHDSACASA-N	298.339	1.950	10	20	CDCD	
CCOc1ccc(O)c(CN[C@@H](CO)C[C@@H]2CCCO2)c1	886229889	XJYKWPMZWXQLJW-KGLIPLIRSA-N	295.379	1.811	10	20	CDCD	
COCC1=CCN(Cc2cc3c(cc2O)OC[C@@H]3O)CC1	774647468	SCJVSPOWBVYGNW-HNNXBMFYSA-N	291.347	1.597	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)c1ccc2nccnc2c1	778919425	DPRBLUVYPKIRLG-UHFFFAOYSA-N	295.298	1.971	10	20	CDCD	
Cc1cc(Cn2cc([C@H](C)O)nn2)ccc1N(C)C	881378285	LOMAWRPIKOOXIR-NSHDSACASA-N	260.341	1.754	10	20	CDCD	
COCCCN(C)C(=O)c1c(F)ccc(O)c1O	789964567	XMMFJAIXFIJPFL-UHFFFAOYSA-N	257.261	1.345	10	20	CDCD	
COc1ccc(CNC[C@@H]2CCCN(C)C2)c(O)c1OC	892946459	BSLSUJZCNYCKGA-LBPRGKRZSA-N	294.395	1.841	10	20	CDCD	
Cc1ccc(C(=O)N(C)Cc2ncon2)c(O)c1O	781017487	AHVHDCUKSOGZCC-UHFFFAOYSA-N	263.253	1.061	10	20	CDCD	
COc1ccc(CNCC[C@H](C)N(C)C)c(O)c1OC	895427234	CAZNCSIVWQTPFZ-NSHDSACASA-N	282.384	1.839	10	20	CDCD	
COc1ccc(CNC[C@@H]2CC[C@H](O)C2)c(O)c1OC	893959566	KWQKGFJRIWVFIQ-PWSUYJOCSA-N	281.352	1.660	10	20	CDCD	
COc1ccc(CNC(=O)[C@H]2CCC=CO2)c(O)c1	794379591	QZMRTHGYPGADHC-CYBMUJFWSA-N	263.293	1.710	10	20	CDCD	
COc1cc(C)cc(CNC[C@@](C)(O)CSC)c1O	894288007	NQMXCRHPVCUTNP-CQSZACIVSA-N	285.409	1.913	10	20	CDCD	
C[C@@]1(C(=O)O)CCN(Cc2cc(F)cc(F)c2O)C1	708215952	OJNNNCBOIMQHFR-CYBMUJFWSA-N	271.263	1.967	10	20	CDCD	
C[C@@]1(O)CCCN(Cc2cc3c(cc2O)OC[C@@H]3O)CC1	794672465	LAHJRNSLYOHTBY-GOEBONIOSA-N	293.363	1.555	10	20	CDCD	
C[C@H](C[C@@H]1CCOC1)NC(=O)c1cccc(O)c1O	790882939	SWWLMBUZFAPOFT-ZJUUUORDSA-N	265.309	1.643	10	20	CDCD	
COc1ccc(CNC(=O)[C@@H]2CCCCO2)c(O)c1	794377970	OAKYMLXGBLDWCF-ZDUSSCGKSA-N	265.309	1.586	10	20	CDCD	
CN(Cc1ccccc1O)c1cnc(C(=O)O)cn1	1606170224	WVWWRAVYJUIIGL-UHFFFAOYSA-N	259.265	1.517	10	20	CDCD	
COc1cccc(O)c1CN1C[C@H]2[C@@H](C1)[C@@H]2C(=O)O	1607326872	VCNXXYJRQMNIRQ-WOFXILAISA-N	263.293	1.163	10	20	CDCD	
CN(CCNC(=O)NCc1ccc(N)cc1)C1CCCC1	1336974903	DYCAHTBFRLZQGI-UHFFFAOYSA-N	290.411	1.942	10	20	CDCD	
C[C@@H]1CCCN(C(=O)CCNC(=O)c2cc(O)cs2)C1	1350882394	WYMUDEIAOIBUKO-SNVBAGLBSA-N	296.392	1.832	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1CCC[C@H]1C(=O)O	1608288418	SFVWZBIQWPFMBW-HOGLGZINSA-N	291.303	1.481	10	20	CDCD	
CN(C(=O)c1ccc(N=NC(N)=O)cc1)C1(CN)CCC1	1578391036	ZGVNGAIUCXSLJV-UHFFFAOYSA-N	289.339	1.802	10	20	CDCD	
CC(C)(CN)NCc1c(O)cccc1Br	1575318364	SFSKBAMSIHZCCC-UHFFFAOYSA-N	273.174	1.982	10	20	CDCD	
CC[C@H](CNC(=O)NCc1ccc(OC)cc1O)C(=O)O	1573798696	YWUZXNNUCCVGGY-SECBINFHSA-N	296.323	1.311	10	20	CDCD	
NC(=O)N=Nc1ccc(C(=O)N2CC[C@H](C(=O)O)C2)cc1	1594644643	IGIMNFXPZNEUDX-VIFPVBQESA-N	290.279	1.396	10	20	CDCD	
C[C@H](C(=O)O)N(C)C(=O)c1cc2cc(O)c(O)cc2s1	1599885594	AMEHWYFQGOKGFM-ZCFIWIBFSA-N	295.316	1.858	10	20	CDCD	
Nc1ccc(CC(=O)NCCc2cn3c(n2)CCCC3)cc1	165254549	XTOGKRZPKPPCCZ-UHFFFAOYSA-N	298.390	1.703	10	20	CDCD	
Nc1ccc(CC(=O)N(C[C@@H]2CCOC2)C2CC2)cc1	37826355	DZPXOOHOFVECPF-ZDUSSCGKSA-N	274.364	1.839	10	20	CDCD	
C[C@H](C[S@](C)=O)NCc1ccc(N2CCOCC2)cc1	168190892	QUIQUUHYYHMTPB-ZUOKHONESA-N	296.436	1.380	10	20	CDCD	
Oc1cccc(Cl)c1CNCCn1cncn1	264978945	SZTBYYVIOGQACZ-UHFFFAOYSA-N	252.705	1.427	10	20	CDCD	
COc1cccc(CNCC2([S@](C)=O)CCC2)c1O	280521695	BBZCCXAYUGLUKE-IBGZPJMESA-N	283.393	1.792	10	20	CDCD	
CCN(CCS(C)(=O)=O)Cc1cc(F)ccc1O	180230799	NFNYTJHFGWIRCE-UHFFFAOYSA-N	275.345	1.398	10	20	CDCD	
COc1ccc(O)c(CNC(=O)NCc2ccccn2)c1	172064125	FFWDQZRJFMJTTK-UHFFFAOYSA-N	287.319	1.795	10	20	CDCD	
COc1ccc(N(C)CC(=O)N2CCO[C@H](C)C2)cc1F	177070098	PWEOGJMTHIXRAZ-LLVKDONJSA-N	296.342	1.518	10	20	CDCD	
CCN(CCO)Cc1cc(Cl)cc(OC)c1O	184672296	SXGMVWILPCZJLS-UHFFFAOYSA-N	259.733	1.868	10	20	CDCD	
C[C@@H](NC[C@@]1(O)CCOC1)c1ccc(F)c(F)c1O	187806451	XVKNDOSEEISYEW-OQPBUACISA-N	273.279	1.472	10	20	CDCD	
COc1ccc(N(C)CC(=O)N(C)C)cc1Cl	121953393	AETSTQWEBIZCQD-UHFFFAOYSA-N	256.733	1.873	10	20	CDCD	
COc1cc(Cl)cc(CN2CCNC(=O)[C@H]2C)c1O	184684923	WOTPPXPPVZFCQQ-MRVPVSSYSA-N	284.743	1.375	10	20	CDCD	
COCCCN(CCO)Cc1cc(C)ccc1O	188935099	JIBOFQIRODMOAN-UHFFFAOYSA-N	253.342	1.531	10	20	CDCD	
CC(=O)NC1CCN(Cc2ccc(N(C)C)cc2)CC1	92669063	YZYXDPDNQVCFRJ-UHFFFAOYSA-N	275.396	1.853	10	20	CDCD	
CCOc1ccc(N(CC)Cc2nc(N)nc(N)n2)cc1	266765605	VEGCWDZFWUVIMC-UHFFFAOYSA-N	288.355	1.461	10	20	CDCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N1CC(O)C1	268854568	CRKMUUQBSZRKPV-UHFFFAOYSA-N	276.361	1.972	10	20	CDCD	
Cc1ccc(C(=O)N2CCOC[C@H]2C[C@@H](C)O)c(O)c1O	274411867	MKZYUYJUYKBZBE-GHMZBOCLSA-N	295.335	1.018	10	20	CDCD	
CCOc1cccc(CN2CCn3cnnc3[C@H]2C)c1O	276748339	FEPDGLHDKJSAGE-LLVKDONJSA-N	288.351	1.959	10	20	CDCD	
CC[S@](=O)CC(=O)N(C)Cc1ccccc1O	278993486	ZROQKGODWDGLBL-KRWDZBQOSA-N	255.339	1.119	10	20	CDCD	
CN1CCN(C(=O)/C=C/c2ccn(C)c2)c2cccnc21	276821771	AJCXSUHPZXBWMQ-AATRIKPKSA-N	282.347	1.916	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)C(=O)O)cc1F	274153108	JFEITWYDJWQWNS-UHFFFAOYSA-N	268.288	1.373	10	20	CDCD	
CC(=O)C(=O)CS[C@@H](C)[C@H](C)SCC(=O)C(C)=O	808033063	GIIYVQCYYGYOCL-UWVGGRQHSA-N	290.406	1.546	10	20	CDCD	
COc1ccc(O)c(CN2CC[C@@](F)(CO)C2)c1	802660620	RJERFFSNHSAODO-ZDUSSCGKSA-N	255.289	1.307	10	20	CDCD	
OCCCN1CCC[C@H](N[C@H]2CCc3cccc(O)c32)C1	297193899	FOZHBGDDIRMHIB-GJZGRUSLSA-N	290.407	1.816	10	20	CDCD	
OC[C@]1(F)CCN(Cc2cccc(Cl)c2O)C1	802660921	ZKBSNDJOSBDUJE-LBPRGKRZSA-N	259.708	1.952	10	20	CDCD	
CCOc1ccc(CN2CC[C@@H](CC(N)=O)C2)c(O)c1	809785607	WPGOFANBQOFBDE-NSHDSACASA-N	278.352	1.488	10	20	CDCD	
Cc1cc(Cn2cnnc2[S@@](C)=O)ccc1N(C)C	814746881	FCOCYOPJBGDGHI-LJQANCHMSA-N	278.381	1.438	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@@H](O)C(C)C	813455772	XLXUKDMWBNHHEL-AWEZNQCLSA-N	264.369	1.694	10	20	CDCD	
COC[C@@H](O)CNCCCSc1nccs1	819064191	SZRSNYVLRQKGFP-VIFPVBQESA-N	262.400	1.222	10	20	CDCD	
C[C@H](NCCN1CCNCC1)c1ccc(N(C)C)cc1	817944081	XFIJLXUUWMWNEE-AWEZNQCLSA-N	276.428	1.308	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)CCc1ccon1	816889180	OVKCBLAJJJQFRE-UHFFFAOYSA-N	260.293	1.971	10	20	CDCD	
O=C(O)[C@@H]1CCN(Cc2c(O)ccc3ccncc23)C1	819286586	BQNZVXQEOMQNPJ-LLVKDONJSA-N	272.304	1.847	10	20	CDCD	
COc1ccc(O)c(CN2CC[C@H](CCCO)C2)c1	825338145	MLVNHNDWGZAAKM-LBPRGKRZSA-N	265.353	1.995	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)NCC2(N)CC2)c1	902413077	HYVTZFLOTZFAFQ-SECBINFHSA-N	264.325	1.321	10	20	CDCD	
Cn1cnnc1[C@@H]1CCCN(C(=O)c2cc(O)cs2)C1	821800623	JZVPPCRHMWFPQL-SECBINFHSA-N	292.364	1.602	10	20	CDCD	
CN1CCN(c2ccc(CNc3cncnc3)cc2)CC1	902157288	MOFCDIJSBZFPAF-UHFFFAOYSA-N	283.379	1.841	10	20	CDCD	
CO[C@@H](C)CNC(=O)/C=C\c1ccc(O)c(O)c1	588553480	CQMCANKUJNPVRL-RNEXMXFGSA-N	251.282	1.262	10	20	CDCD	
CCN1C[C@H](CNC(=O)Nc2ccc(N)cc2)CC1=O	846309492	FXVSXOUYVMSACA-JTQLQIEISA-N	276.340	1.259	10	20	CDCD	
Nc1ccc(CCNC(=O)NCC2(N)CCCCC2)cc1	841923164	YQXKUMAOUYFNRM-UHFFFAOYSA-N	290.411	1.772	10	20	CDCD	
Cc1cc(C(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)ncn1	846663721	MSGQUSOSQVCRJW-CQSZACIVSA-N	299.378	1.281	10	20	CDCD	
CCc1cccc(CN[C@H](CO)[C@H]2CCCOC2)c1O	848916382	GUZPAJQWEMESNA-LSDHHAIUSA-N	279.380	1.832	10	20	CDCD	
COc1ccc(O)c(CNC(=N)NC2CCCC2)c1	849008949	KUBWNGLMIADQQK-UHFFFAOYSA-N	263.341	1.957	10	20	CDCD	
CN1CCCN=C1NCc1cccc(Br)c1O	849023016	FLVXCJRTYAQPSF-UHFFFAOYSA-N	298.184	1.936	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)[C@H]1CCc2ncncc2C1	843830613	JFZKAPGUURKMML-NSHDSACASA-N	299.330	1.309	10	20	CDCD	
COc1cccc([C@H](C)NC[C@@]2(OC)CCOC2)c1O	846165583	PCCQYPZLFFDQRD-NHYWBVRUSA-N	281.352	1.857	10	20	CDCD	
CNCCNC(=O)NCc1ccc(N(C)C)cc1C	841826690	IFQWWTWWXKGISQ-UHFFFAOYSA-N	264.373	1.080	10	20	CDCD	
COc1cccc(CN[C@H]2CCNC2(C)C)c1O	841087725	VDRPWPYYYGFWJS-LBPRGKRZSA-N	250.342	1.631	10	20	CDCD	
CCNC(=O)NC[C@H](N)c1ccc(N(C)C)cc1	842785364	LMCNBXHGQXQJBB-LBPRGKRZSA-N	250.346	1.072	10	20	CDCD	
O=C(NCc1cc(Cl)ccc1O)NC[C@@H]1COCO1	923844009	UFMNXXVMOJVSPS-SNVBAGLBSA-N	286.715	1.218	10	20	CDCD	
CNC(=O)CCCN(C)Cc1c(O)ccc2ccncc12	753807334	XCBRHVFDLHPUPT-UHFFFAOYSA-N	287.363	1.898	10	20	CDCD	
O=C(OCCC1OCCCO1)c1cccc(O)c1O	758582289	RIWQTVILUHUJGF-UHFFFAOYSA-N	268.265	1.408	10	20	CDCD	
O=C(NCc1ccc(N2CCC(O)CC2)cc1)c1cc[nH]c1	856211234	JLFZEUBRSNBRML-UHFFFAOYSA-N	299.374	1.906	10	20	CDCD	
CN(C)S(=O)(=O)CCSc1ncc(Cl)s1	850000388	SUHRPBHWTVGYDS-UHFFFAOYSA-N	286.831	1.780	10	20	CDCD	
O=C(OC[C@@H]1CC2(CCC2)C(=O)O1)c1cccc(O)c1O	758548036	OPYWXSNHQKIIIQ-VIFPVBQESA-N	292.287	1.740	10	20	CDCD	
O=C(c1cc(O)cs1)N1CC[C@@H](N2CCOC2=O)C1	855500622	OUSFCHLQOZOGMJ-MRVPVSSYSA-N	282.321	1.120	10	20	CDCD	
O=S(=O)(CCCN1CCCC1)NCc1ccccc1O	866830556	ULNLHQXVXYQDIK-UHFFFAOYSA-N	298.408	1.298	10	20	CDCD	
OCCC1CCN(Cc2cc3c(cc2O)OCO3)CC1	768240763	FFTKDLHCIYYKGW-UHFFFAOYSA-N	279.336	1.715	10	20	CDCD	
CCNC(=O)CC(=O)N[C@H](C)c1ccc(N(C)C)cc1	775412002	TYAAVZLRHYXBOA-LLVKDONJSA-N	277.368	1.456	10	20	CDCD	
COCCCOCC(=O)N[C@H](C)c1cc(OC)ccc1O	775781116	ZYPZVQYGDINFAK-LLVKDONJSA-N	297.351	1.631	10	20	CDCD	
CCOC1CC(O)(CNCc2cc(F)cc(F)c2O)C1	883104597	GBFWRBAUSSMJML-UHFFFAOYSA-N	287.306	1.690	10	20	CDCD	
CO[C@]1(CN[C@H](C)c2c(O)cccc2F)CCOC1	886590136	OLTSWVNONKYMHC-YGRLFVJLSA-N	269.316	1.987	10	20	CDCD	
COC(C)(C)CN(C)C(=O)c1ccc(C)c(O)c1O	780968338	ICYHDCVRUIFHGB-UHFFFAOYSA-N	267.325	1.903	10	20	CDCD	
CCN[C@H](C)CNC(=O)N[C@H](C)c1ccccc1O	892099764	YBXGOLGBZMMVRK-GHMZBOCLSA-N	265.357	1.750	10	20	CDCD	
C[C@@H](NC(=O)NC[C@H]1C[C@H](N)C1)c1ccc(N(C)C)cc1	891814585	SKWYKZZUVGGDJS-YRGRVCCFSA-N	290.411	1.850	10	20	CDCD	
COC(=O)[C@@H]1CCN(C(=O)c2cccc(O)c2O)[C@H]1C	787499840	AZWUZMMEODKNCX-DTWKUNHWSA-N	279.292	1.121	10	20	CDCD	
COCC[C@@H](CO)NCc1cc(C)cc(OC)c1O	894653173	QKGALYFOOYFWBK-LBPRGKRZSA-N	269.341	1.196	10	20	CDCD	
O=C(Cc1ncccc1F)NCc1ccccc1O	792239954	OXXZDDBPIJOHTH-UHFFFAOYSA-N	260.268	1.785	10	20	CDCD	
COc1ccc(CNC(=O)Nc2ccon2)c(O)c1	797640063	RKBMJBJLGJQAFK-UHFFFAOYSA-N	263.253	1.711	10	20	CDCD	
O=C(CSc1ncc(C(=O)O)s1)NC1CCCC1	1601350897	OORNHZVSOWZSAI-UHFFFAOYSA-N	286.378	1.992	10	20	CDCD	
CCCNC(=O)CCNCc1cc(F)ccc1O	226585867	FTLCRAXIOUMGQP-UHFFFAOYSA-N	254.305	1.537	10	20	CDCD	
CCc1cccc(CN(C)CCS(=O)(=O)CC)c1O	848887641	AVSRABDXWXNWOT-UHFFFAOYSA-N	285.409	1.821	10	20	CDCD	
CC(C)(C(=O)O)N1CCN(Cc2cccc(F)c2O)CC1	1589629140	FYXURWKSSKQCCX-UHFFFAOYSA-N	296.342	1.512	10	20	CDCD	
Cc1ccc([C@H](C)NCCS(=O)(=O)N(C)C)c(O)c1	230994654	MEJGBJWKZDRMFE-NSHDSACASA-N	286.397	1.243	10	20	CDCD	
CC(=O)OCCOc1ccc(N(C)C)c(C(=O)O)c1	1589230515	WKHRRJRJRZKTQF-UHFFFAOYSA-N	267.281	1.393	10	20	CDCD	
CC(=O)N1CC[C@@H](NCc2cc([N+](=O)[O-])ccc2O)C1	152903051	UOUOVBOOWNLQOL-LLVKDONJSA-N	279.296	1.011	10	20	CDCD	
O=C(Cc1ccc(O)cc1)NCCc1ccc(O)c(O)c1	153902883	IPFKZXLUOQVDFC-UHFFFAOYSA-N	287.315	1.705	10	20	CDCD	
Nc1ccc(CC(=O)NC[C@@H]2CSCCS2)cc1	156992508	JOVATNCBCKTHND-GFCCVEGCSA-N	282.434	1.776	10	20	CDCD	
C[C@H](Cn1cccn1)NC(=O)c1cccc(O)c1O	126294913	GPIOLYZXBRUEKS-SECBINFHSA-N	261.281	1.113	10	20	CDCD	
Cc1ccc(CN(C)[C@@H]2CCCCNC2=O)c(O)c1	876654645	LFLFIMKQDZVOSM-CYBMUJFWSA-N	262.353	1.801	10	20	CDCD	
Cc1cccc(O)c1CNC[C@H]1CCN(S(C)(=O)=O)C1	877118661	JJTQYEDVSWBRGJ-GFCCVEGCSA-N	298.408	1.072	10	20	CDCD	
COC[C@@](C)(O)CNCc1ccc(N(C)C)cc1	69912314	RYBWXIZBOHMUQK-AWEZNQCLSA-N	252.358	1.240	10	20	CDCD	
CN(C)c1ccc(CN[C@H]2CCCS(=O)(=O)C2)cc1	69135533	DITLMUNHQLVVQO-ZDUSSCGKSA-N	282.409	1.419	10	20	CDCD	
CN1CC[C@](O)(CN[C@H]2CCc3cccc(O)c32)C1	705720940	ZEPNVOWINIKEHR-WFASDCNBSA-N	262.353	1.036	10	20	CDCD	
Nc1ccc(CC(=O)N2CCOCC23CCC3)cc1	707501712	ZBSYUQHUVAIKOL-UHFFFAOYSA-N	260.337	1.593	10	20	CDCD	
COC[C@@]1(C(=O)O)CCN(Cc2cc(F)ccc2O)C1	381431749	USYDVOLRZOZEGC-CQSZACIVSA-N	283.299	1.454	10	20	CDCD	
CON1CCN(Cc2cc(F)cc(C(C)=O)c2O)CC1	846975492	HGBCKUBGTOJOHU-UHFFFAOYSA-N	282.315	1.413	10	20	CDCD	
O=S(=O)(NCc1ccc(N2CCCC2)cc1)C1CC1	172696166	TYBJNTSXABHGHW-UHFFFAOYSA-N	280.393	1.869	10	20	CDCD	
O=C(NCc1ccccc1O)C12CCCN1CCC2	367394547	OSNBEJLEQAQQBD-UHFFFAOYSA-N	260.337	1.637	10	20	CDCD	
Cc1ccc(C(=O)N(C)CCn2cccn2)c(O)c1O	182424567	MBMOCJNCANLWAV-UHFFFAOYSA-N	275.308	1.375	10	20	CDCD	
C[C@@H]1CCC[C@H](NC=C2C(=O)N(C)C(=O)N(C)C2=O)[C@@H]1C	72680399	WMPBCYWNZXZHEZ-FOGDFJRCSA-N	293.367	1.335	10	20	CDCD	
CN(Cc1c(O)cccc1Cl)Cc1nncn1C	290120347	IVECVHYHIYEPBV-UHFFFAOYSA-N	266.732	1.806	10	20	CDCD	
C[C@@H]1C[C@H](NC(=O)c2cccc(O)c2O)CCO1	229417035	CFEIRHXPQZJZER-RKDXNWHRSA-N	251.282	1.395	10	20	CDCD	
COC[C@H](NC(=O)c1cccc(O)c1O)c1ccco1	193119260	OLNYJNUAMCPZDB-JTQLQIEISA-N	277.276	1.808	10	20	CDCD	
Cc1cccc(CN2CC[C@@H](OC(=O)N(C)C)C2)c1O	294677564	AXLCUVAATSEJEC-CYBMUJFWSA-N	278.352	1.973	10	20	CDCD	
O=C(NCCCO[C@@H]1CCOC1)NCc1ccccc1O	268147023	WFZAZRQJGYYHBP-CYBMUJFWSA-N	294.351	1.387	10	20	CDCD	
COc1ccc(O)c(CN2CCC(CO)CC2)c1	271777776	GHFJHRJXIWIHGS-UHFFFAOYSA-N	251.326	1.605	10	20	CDCD	
CCOCc1cc(CNC[C@@H](COC)OC)ccc1OC	272627295	AEFHJOXFNNIHDP-HNNXBMFYSA-N	297.395	1.983	10	20	CDCD	
C[C@H](N[C@H](C)c1ncnn1C)c1cc([N+](=O)[O-])ccc1O	276572009	HGXJXWQHLMQQEX-DTWKUNHWSA-N	291.311	1.841	10	20	CDCD	
C[C@H](N[C@@H](C)c1ncnn1C)c1cc([N+](=O)[O-])ccc1O	276572011	HGXJXWQHLMQQEX-IUCAKERBSA-N	291.311	1.841	10	20	CDCD	
COC(=O)[C@H]1C[C@@H](OC)CCN1Cc1cc(F)ccc1O	378502600	VZBNPPZJURLZEW-QWHCGFSZSA-N	297.326	1.684	10	20	CDCD	
CC[C@H](CNCc1cc([N+](=O)[O-])ccc1O)OC	289790593	LKXXRJNFVPEIFR-LLVKDONJSA-N	254.286	1.815	10	20	CDCD	
COc1ccc(O)c([C@@H](C)N[C@@H](C)C(=O)NCCF)c1	282963857	ZULVUCIBSJRPPO-ZJUUUORDSA-N	284.331	1.526	10	20	CDCD	
C[C@@H](NCCCn1cc(CO)nn1)c1cc(F)ccc1O	289614711	DGFFMQRWXOQUMN-SNVBAGLBSA-N	294.330	1.356	10	20	CDCD	
CN(C)c1ccc(CNC(=O)Cc2cncn2C)cc1F	806684813	LDYLNTAAJVXKSO-UHFFFAOYSA-N	290.342	1.484	10	20	CDCD	
CC(=O)N[C@@H](CC(=O)OCC(=O)C(C)=O)c1cccs1	808490060	AIXJUYRSCJZYJB-JTQLQIEISA-N	297.332	1.017	10	20	CDCD	
C[C@H](CNCc1cc(Cl)c(F)cc1O)S(C)(=O)=O	816559011	UTGZMHTYONXEFQ-SSDOTTSWSA-N	295.763	1.707	10	20	CDCD	
COc1ccc(O)c(CN(CCOCCO)C2CCC2)c1	827204542	XFKZRLQCLCRWMK-UHFFFAOYSA-N	295.379	1.764	10	20	CDCD	
COc1cc(CN2CC[C@@H](C3OCCO3)C2)c(O)cc1C	905695516	HLJUWBMVGDJCLL-GFCCVEGCSA-N	293.363	1.904	10	20	CDCD	
C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)c1cc(O)cs1	733366295	PYCFSEMJEGZHAH-JGVFFNPUSA-N	291.394	1.347	10	20	CDCD	
O=[N+]([O-])c1cc(Cl)cc(CN[C@@H](CO)C2CC2)c1O	734160713	DPZXDJJLDHQZEG-JTQLQIEISA-N	286.715	1.814	10	20	CDCD	
CN1C(=O)C2(CCCC2)N[C@H]1c1ccc(O)c(O)c1	731853142	CXQFBZUCOHOSGL-GFCCVEGCSA-N	262.309	1.471	10	20	CDCD	
Cc1ocnc1C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1	832278462	CMDLYRFUEMUVGV-CYBMUJFWSA-N	288.351	1.479	10	20	CDCD	
NC(=O)c1csc(C(=O)NCc2ccccc2O)c1	748346569	MWUUFRCPVQEPHB-UHFFFAOYSA-N	276.317	1.483	10	20	CDCD	
COC(=O)[C@@H]1CNCCCN1Cc1cccc(Cl)c1O	843124002	SYGMJZWVJYPARD-LBPRGKRZSA-N	298.770	1.383	10	20	CDCD	
COc1ccc(N(C)CCN(C)CC(=O)O)cc1	844839378	MQQFBHTUKGJMMX-UHFFFAOYSA-N	252.314	1.148	10	20	CDCD	
CCN(C)c1ccc([C@@H](C)NC[C@H]2CNC(=O)C2)cc1	840834620	XTJXSUJEEQFRPQ-OLZOCXBDSA-N	275.396	1.929	10	20	CDCD	
CCOc1cccc(CNCC[C@H]2CCNC2)c1O	841037052	SBJMQELRUBJPNB-GFCCVEGCSA-N	264.369	1.880	10	20	CDCD	
CCN(CC)c1ccc(CNC[C@H]2CNC(=O)C2)cc1F	840955885	ZRCUVSXWYSJQDO-ZDUSSCGKSA-N	293.386	1.898	10	20	CDCD	
CC(C)[C@@H](C(=O)O)C(=O)NCc1ccc(N(C)C)c(F)c1	844245216	DHQQTYBVZHZSAT-CYBMUJFWSA-N	296.342	1.865	10	20	CDCD	
NCCCN(Cc1ccccc1O)C[C@@H]1CCCO1	841018703	OUALEVMZZWEMJP-AWEZNQCLSA-N	264.369	1.722	10	20	CDCD	
O=[N+]([O-])c1cc(Cl)cc(CNC[C@@H]2CCCN2)c1O	841036255	QMECOGOVLGXVTM-JTQLQIEISA-N	285.731	1.795	10	20	CDCD	
CCN1C[C@H](CN[C@@H]2CCc3cccc(O)c32)CC1=O	846208379	JBLJNJMBDRKVQW-WCQYABFASA-N	274.364	1.838	10	20	CDCD	
CS[C@H]1CCN(C(=O)C(=O)Nc2ccc(N)cc2)C1	841136647	BIFHLRLDAPJUPQ-NSHDSACASA-N	279.365	1.171	10	20	CDCD	
CCCN(C(=O)NCCc1ccc(N)cc1)[C@H]1CCNC1	841955790	NLUGRDYDAFOQKJ-HNNXBMFYSA-N	290.411	1.595	10	20	CDCD	
Nc1ccc(NC(=O)N[C@@H]2CCN(CC3CC3)C2)cc1	841299582	FBKVQZGSAMFQRZ-CQSZACIVSA-N	274.368	1.875	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1CC[C@@H](CC(N)=O)C1	840945636	RULURFFZPCIBPS-ZDUSSCGKSA-N	275.396	1.758	10	20	CDCD	
C[C@@H](C(=O)N(C)Cc1ccccc1O)c1cnn(C)c1	750236087	DIPAMYJSRNBYKX-LLVKDONJSA-N	273.336	1.888	10	20	CDCD	
CCN(CC(=O)O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	929042911	GIWLJHGLMJAKAI-NSHDSACASA-N	293.367	1.930	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)NCCN2CCCC2)c1	756355135	JMMFGQGFPGZSEA-GFCCVEGCSA-N	292.379	1.925	10	20	CDCD	
NC(=O)c1cc(CNCc2c(O)cccc2Cl)on1	757904884	AMAVARUCJHGPKI-UHFFFAOYSA-N	281.699	1.422	10	20	CDCD	
Cc1ccnc(COC(=O)/C=C/c2ccc(O)c(O)c2)n1	759588312	KKLYIDOILTWPLW-HWKANZROSA-N	286.287	1.953	10	20	CDCD	
CN(CC1(C)COC1)C(=O)/C=C\c1ccc(O)c(O)c1	862762904	DVRORFPHEQHIGG-XQRVVYSFSA-N	277.320	1.606	10	20	CDCD	
CCN(CC)CCn1cc(COc2ccc(N)cc2)nn1	864622942	MJSMVPLGQUWYFG-UHFFFAOYSA-N	289.383	1.781	10	20	CDCD	
CC(C)CC[C@@H](CO)NC(=O)c1cc(O)cs1	862778963	OXSVMHORLZGOGF-VIFPVBQESA-N	257.355	1.981	10	20	CDCD	
COc1cccc(CNC(=O)c2nc(C3CC3)no2)c1O	865924703	ATHVNLWPOCQINV-UHFFFAOYSA-N	289.291	1.591	10	20	CDCD	
CO[C@@H]1COCC[C@@H]1CNCc1ccc(C)cc1O	877563764	PHGNIZAYXKGNCA-UKRRQHHQSA-N	265.353	1.842	10	20	CDCD	
CCCN(CCn1cncn1)Cc1ccccc1O	68973515	VIAHAECVFKSRPD-UHFFFAOYSA-N	260.341	1.896	10	20	CDCD	
C[C@H](NC(=O)[C@@H]1COCCO1)c1ccc(N(C)C)cc1	773004781	ARBJEFGJVDHZDE-FZMZJTMJSA-N	278.352	1.345	10	20	CDCD	
Nc1ccc(CCNC(=O)[C@H]2CC[C@@H](N)CC2)cc1	870936739	OGRZCDAKLWHLCY-XBXGTLAGSA-N	261.369	1.445	10	20	CDCD	
Cc1cccc(O)c1CN[C@H]1CCc2c(nnn2C)C1	877617949	AHTWWWPMEYKBLA-NSHDSACASA-N	272.352	1.476	10	20	CDCD	
C[C@]1(CO)CCCN(C(=O)NCc2ccc(N)cc2)C1	1120592362	WCUFVLZBIDOTLR-HNNXBMFYSA-N	277.368	1.573	10	20	CDCD	
CCN1CCC[C@H](CNC(=O)c2ccc(C)c(O)c2O)C1	780918478	UXPNTFYYXQBKFC-GFCCVEGCSA-N	292.379	1.868	10	20	CDCD	
CN(Cc1nccs1)C(=O)c1c(F)ccc(O)c1O	789990654	OVATVGOBSJLGEI-UHFFFAOYSA-N	282.296	1.966	10	20	CDCD	
CC[C@@H]1CN(Cc2ccc(OC)c(OC)c2O)C[C@@H]1O	892242296	PPCKTEROVREHOT-PWSUYJOCSA-N	281.352	1.612	10	20	CDCD	
C[C@H]1CCN(C(=O)c2cccc(O)c2O)C[C@H]1CO	700389428	IIBALSNIFXMZHQ-UWVGGRQHSA-N	265.309	1.188	10	20	CDCD	
CCC[C@@H](NCc1cc(OC)c(OC)cc1O)C(=O)OC	897835389	CLSWJKPPTIBERN-LLVKDONJSA-N	297.351	1.841	10	20	CDCD	
CC(C)CO[C@H](C)C(=O)NCCc1ccc(O)c(O)c1	762274598	JJSJQYIHNUATSF-LLVKDONJSA-N	281.352	1.818	10	20	CDCD	
CCn1ncnc1CNCc1ccc(OC)cc1O	793346331	LOXOTLJXBHYXQK-UHFFFAOYSA-N	262.313	1.302	10	20	CDCD	
CC1(C)CNC(=O)CN1Cc1ccc(N2CCCC2)cc1	1321701958	UIDDAISARLNSTD-UHFFFAOYSA-N	287.407	1.997	10	20	CDCD	
COC(=O)[C@@H]1CCC[C@@H]1NCc1c(O)cccc1OC	1321868626	SDUINWVGTLBBMX-PWSUYJOCSA-N	279.336	1.832	10	20	CDCD	
NC[C@H]1CC[C@@H](NC(=O)NCc2ccc(N)cc2)C1	1335680770	ZHUMHDBHPCFNOF-WCQYABFASA-N	262.357	1.195	10	20	CDCD	
Cc1ccc(O)c(CNS(=O)(=O)CC2CCOCC2)c1	1331364966	RZMAGPXDEDREOI-UHFFFAOYSA-N	299.392	1.547	10	20	CDCD	
CCCn1cc(C(=O)NCc2ccc(O)cc2O)c(C)n1	1337266555	AHRSYUOZAVPVIX-UHFFFAOYSA-N	289.335	1.943	10	20	CDCD	
Cc1ccc(CN[C@@H](C)C(=O)NCC(F)(F)F)c(O)c1	1262008404	LFXAGJALBHVLAH-VIFPVBQESA-N	290.285	1.857	10	20	CDCD	
CC(C)Cn1cc(C(=O)NCc2cccc(O)c2O)cn1	1520508791	MNXOIYLHBJLPRO-UHFFFAOYSA-N	289.335	1.880	10	20	CDCD	
COc1ccc(O)c(CNc2ncncc2C(=O)O)c1	1607277532	FOGLCOZJMBNRSW-UHFFFAOYSA-N	275.264	1.501	10	20	CDCD	
CNC1(C(=O)NCCCSc2nccs2)CCC1	1521339299	BTOSGYYCAQGMCZ-UHFFFAOYSA-N	285.438	1.884	10	20	CDCD	
O=C(O)[C@H](CC1CCOCC1)NCc1ccccc1O	1601642348	GODUCZKLGSPYBZ-ZDUSSCGKSA-N	279.336	1.752	10	20	CDCD	
O=C(O)c1coc(CNC(=O)c2cc(O)cs2)n1	1608988942	ITKVJWXABIQJEX-UHFFFAOYSA-N	268.250	1.070	10	20	CDCD	
Cc1ccc(CN2CCc3[nH]nc(C(=O)O)c3C2)c(O)c1	1600414208	HEUWHFPQBVANOF-UHFFFAOYSA-N	287.319	1.680	10	20	CDCD	
Cc1ccc(C(=O)N[C@H](CC2CC2)C(=O)O)c(O)c1O	1607729751	BRKYFOZECUFLQU-SNVBAGLBSA-N	279.292	1.389	10	20	CDCD	
CO[C@H]1CCCC[C@@H]1NC(=O)c1cccc(O)c1O	279397766	WFNZXVASAMRRSM-JQWIXIFHSA-N	265.309	1.785	10	20	CDCD	
COc1ncccc1CNC(=O)NCc1ccc(N)cc1	1579324879	CAYKYQSGTJDUPJ-UHFFFAOYSA-N	286.335	1.672	10	20	CDCD	
C[C@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)CCN1	1576789476	CYMIFAKZCRRTKA-VIFPVBQESA-N	275.312	1.283	10	20	CDCD	
O=C(c1cc2cc(O)c(O)cc2s1)N1CCNCC1	1580812877	FKIUYHQDFOJHIH-UHFFFAOYSA-N	278.333	1.358	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N2CCOCC2)cc1	27336983	ZQHWWWLRWMPSPB-UHFFFAOYSA-N	263.341	1.294	10	20	CDCD	
CC1(C)[C@@H](O)C[C@H]1NCc1cc2c(cc1O)OCO2	128124126	VZKSFRIDITXTGP-OLZOCXBDSA-N	265.309	1.370	10	20	CDCD	
Oc1ccc(Cl)cc1CN1CC[C@H](N2CCNCC2)C1	312252374	MVRHEISNKXHLCK-AWEZNQCLSA-N	295.814	1.525	10	20	CDCD	
CN1CC[C@@](O)(CN[C@@H]2CCc3cccc(O)c32)C1	705720938	ZEPNVOWINIKEHR-IUODEOHRSA-N	262.353	1.036	10	20	CDCD	
CCc1cccc(CNCCS(=O)(=O)CC)c1O	691499734	ICJLXBLTXSCJOM-UHFFFAOYSA-N	271.382	1.479	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NCCCN2CCOCC2)c1	20141746	NHHWEIJPOUDSOR-CYBMUJFWSA-N	294.395	1.774	10	20	CDCD	
Cc1ccc(O)c(CN[C@@H]2CCCS(=O)(=O)C2)c1	69141254	MKOTZRDHYHHYKR-GFCCVEGCSA-N	269.366	1.367	10	20	CDCD	
CCOC(=O)NCCC(=O)NCc1cccc(OC)c1O	68489130	QCFMFXSRPUPBDS-UHFFFAOYSA-N	296.323	1.153	10	20	CDCD	
COc1cccc(CNC(=O)C[C@@H]2CCCO2)c1O	171487213	PHJOBOCPMBXTBG-NSHDSACASA-N	265.309	1.586	10	20	CDCD	
COc1ccc(N2CCCN(C(=O)CN(C)C)CC2)cc1	170762207	XOBXJVCPUQQJFC-UHFFFAOYSA-N	291.395	1.296	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)c2cn(C)cn2)c1	179077651	PNKHAWOGUJNSGR-VIFPVBQESA-N	275.308	1.625	10	20	CDCD	
CCCN(CC(=O)O)C(=O)c1cccc(O)c1O	126005233	ARNFYORXXMEYNF-UHFFFAOYSA-N	253.254	1.035	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CC[C@H](CO)C2)c1O	122843968	YAJWQQHLLKIKMC-JTQLQIEISA-N	267.300	1.548	10	20	CDCD	
CO[C@H]1CCN(c2ccc(/C=C\C(=O)O)cc2[N+](=O)[O-])C1	313665016	ZIVCSIGVXXWXCR-MZBZXASESA-N	292.291	1.918	10	20	CDCD	
CCN(CC)c1ccc(CNC[C@@](C)(O)CN(C)C)cc1	131560411	KZSWHXFOFLASEY-QGZVFWFLSA-N	293.455	1.935	10	20	CDCD	
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)C(F)F	194671158	YULSKOODNXUYTJ-UHFFFAOYSA-N	298.333	1.777	10	20	CDCD	
Nc1ccc(CC(=O)N2CC[C@@H]3OCCC[C@@H]3C2)cc1	1326688170	PKPSORCVBATZPQ-HIFRSBDPSA-N	274.364	1.839	10	20	CDCD	
Cc1ccc(C(=O)NCC(=O)OC(C)(C)C)c(O)c1O	272718554	GQWQTMUMHNOHPI-UHFFFAOYSA-N	281.308	1.478	10	20	CDCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)O	274126903	DBEPLTODPLEIAK-UHFFFAOYSA-N	264.325	1.574	10	20	CDCD	
Cc1ccc(O)c([C@@H](C)N[C@@H](CO)c2cnn(C)c2)c1	273446753	FHFLNNQUPSIKTH-RISCZKNCSA-N	275.352	1.818	10	20	CDCD	
COC[C@@H](NC(=O)c1ccc(C)c(O)c1O)[C@H]1CCCO1	279341457	DUXGCXKYUXSPMX-VXGBXAGGSA-N	295.335	1.330	10	20	CDCD	
O=C1CC[C@@H](NCc2cccc(F)c2O)C2(CCC2)N1	282840877	COXIWENCOVPEOJ-GFCCVEGCSA-N	278.327	1.822	10	20	CDCD	
C[C@@H]1CCC[C@]1(O)CNCc1cc([N+](=O)[O-])ccc1O	292857109	ALGZNEAQOGRENY-YGRLFVJLSA-N	280.324	1.941	10	20	CDCD	
C[C@@H](NC[C@H](N)c1ccc(N(C)C)cc1)[C@H]1CCCN1	817942974	SGSPMQDMOTWIIR-UHOFOFEASA-N	276.428	1.483	10	20	CDCD	
COc1ccc(CNC(=O)NOCCOC(C)C)c(O)c1	812950336	GRJJGRXQRLMHAP-UHFFFAOYSA-N	298.339	1.557	10	20	CDCD	
CN(Cc1nnc2n1CCC2)C(=O)c1cc(O)cs1	820729754	DRUHMDRCFZTEML-UHFFFAOYSA-N	278.337	1.264	10	20	CDCD	
COc1cc(O)ccc1NS(=O)(=O)N1C[C@H]2CC[C@H]1C2	901704326	QRFOMPLHJWTXAN-UWVGGRQHSA-N	298.364	1.542	10	20	CDCD	
COCCn1cc(C(=O)N[C@H](C)c2ccccc2O)nn1	827952322	NSVFOBYQYDORSG-SNVBAGLBSA-N	290.323	1.121	10	20	CDCD	
COc1ccc(CNCc2cc(C(=O)O)no2)cc1C	902210528	MDFYXRDVNOMQDB-UHFFFAOYSA-N	276.292	1.980	10	20	CDCD	
CCN1CCN(c2ccc(CNC(=O)OC)cc2F)CC1	730235515	CCEIVHIXMJBSJE-UHFFFAOYSA-N	295.358	1.824	10	20	CDCD	
Cc1cc(CN2CC[C@@H](O)[C@@H](CO)C2)ccc1N(C)C	839665046	GLJSIWJQFKWVFX-GDBMZVCRSA-N	278.396	1.236	10	20	CDCD	
Cc1cnn(C)c1C(=O)NCc1ccc(N(C)C)c(F)c1	839606072	CGFOLZRYJOFNNT-UHFFFAOYSA-N	290.342	1.864	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)NC[C@H](C)N(C)C)c1	836620316	BMERDSVANYYODY-QWRGUYRKSA-N	295.383	1.711	10	20	CDCD	
COCCOC[C@@H](C)NCc1cc(C)ccc1O	742377555	VSHKTLUKJJWVCZ-GFCCVEGCSA-N	253.342	1.842	10	20	CDCD	
O=C1CC[C@@H](CC(=O)NCc2cc(Cl)ccc2O)CN1	846475650	DNLGXQRYRQBANT-VIFPVBQESA-N	296.754	1.578	10	20	CDCD	
CC[C@@H](C)C[C@H](N)C(=O)NCCc1ccc(N)cc1	911783038	OYVKMDNEEZLCQI-RISCZKNCSA-N	263.385	1.691	10	20	CDCD	
CS[C@@H](C)CNC(=O)NCc1ccccc1O	752225315	PSMCBOXADXEVNW-VIFPVBQESA-N	254.355	1.943	10	20	CDCD	
COc1cccc(O)c1CN1C[C@H]2CCC[C@@]2(N)C1	857226527	QNMLAYQGMUXPGL-IAQYHMDHSA-N	262.353	1.714	10	20	CDCD	
C[C@@H](N[C@@H]1CCCCNC1=O)c1cc(F)cc(F)c1O	756395910	KWWJOJRLCXIEJF-PRHODGIISA-N	284.306	1.990	10	20	CDCD	
CN(CCCNC(=O)C1CCC1)C(=O)c1cc(O)cs1	760919870	LTYASIVFKPVNEM-UHFFFAOYSA-N	296.392	1.832	10	20	CDCD	
CN(C)c1cc(F)c(CNc2nnc(CO)o2)cc1F	865292134	ZILVZYNDVLSYJD-UHFFFAOYSA-N	284.266	1.518	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NCCC1CC(O)C1	762717185	NFTODNGQOQEPBM-DUXPYHPUSA-N	277.320	1.388	10	20	CDCD	
CCN(CC(=O)N(C)C)Cc1cc(OC)c(OC)cc1O	775652208	IIDLKQRYJUELJN-UHFFFAOYSA-N	296.367	1.320	10	20	CDCD	
Cc1cccc(O)c1CN1CCC(N(C)CCCO)CC1	876737174	PKDXVSOPSWWXGM-UHFFFAOYSA-N	292.423	1.979	10	20	CDCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NCCN1CCNC1=O	1119376677	ZJDCJZBBBQWSRH-NEPJUHHUSA-N	289.379	1.864	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N(CCCO)C1CC1	779541469	YSUPTGABJLQMEN-CLTKARDFSA-N	277.320	1.484	10	20	CDCD	
C[C@@H]1COCCCN1C(=O)/C=C\c1ccc(O)c(O)c1	779538089	UYECSWUYDRUEJI-VLWUPBBWSA-N	277.320	1.748	10	20	CDCD	
COC(=O)CN(C)C(=O)CCN[C@H](C)c1ccccc1O	879648702	ZRROAXMMZGCSMF-LLVKDONJSA-N	294.351	1.064	10	20	CDCD	
COC(=O)c1cn(CC(=O)c2ccc(O)c(O)c2)c(C)n1	771585756	IJXDKKXWXCXQAA-UHFFFAOYSA-N	290.275	1.272	10	20	CDCD	
CC(=O)c1cc(F)cc(CN[C@@H](CO)C2CC2)c1O	771812364	HPGGZNUOJPYQEE-ZDUSSCGKSA-N	267.300	1.594	10	20	CDCD	
C[C@H](NC[C@H](CO)[C@@H]1CCOC1)c1c(O)cccc1F	886605617	VIDICAFNYIGVOX-QJPTWQEYSA-N	283.343	1.827	10	20	CDCD	
C[C@@H]1CN(C)C(=O)CN1Cc1ccc(N(C)C)c(F)c1	783727808	FJZVMDORLKZCTL-LLVKDONJSA-N	279.359	1.554	10	20	CDCD	
COc1cccc(O)c1CN1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O	787424198	POVVDFWCYQWMTK-RWSFTLGLSA-N	290.363	1.487	10	20	CDCD	
COc1ccc(CNC[C@@H](O)CC(C)C)c(O)c1OC	892750178	RLQZSTAUHHAVIW-LBPRGKRZSA-N	283.368	1.906	10	20	CDCD	
O=C(CC[C@H]1CCCO1)OCC(=O)c1ccc(O)c(O)c1	782729175	OBRMFLAXYIQKNU-LLVKDONJSA-N	294.303	1.783	10	20	CDCD	
O=C(NCCOC(F)(F)F)c1cc(O)cs1	789914296	MCSQXJCAHDPJTM-UHFFFAOYSA-N	255.217	1.720	10	20	CDCD	
COc1ccc(CN(C)CCCN(C)C)c(O)c1OC	894449831	QQFSEDANXCWYTM-UHFFFAOYSA-N	282.384	1.793	10	20	CDCD	
OC[C@@]12C[C@@H]1CN(Cc1c(O)ccc(Cl)c1F)C2	792180838	VHXTZQKAXRPFHV-OQPBUACISA-N	271.719	1.999	10	20	CDCD	
CCOC[C@H]1CCCN(C(=O)c2cccc(O)c2O)C1	185655383	NQAYIRQIEBKHTN-NSHDSACASA-N	279.336	1.987	10	20	CDCD	
CC[C@@H](C[C@@H](C)CO)NC(=O)c1cccc(O)c1O	790911658	TUNKHNYHXJUCET-ZJUUUORDSA-N	267.325	1.625	10	20	CDCD	
CO[C@@H]1CC[C@@H](NC(=O)NCCc2ccc(N)cc2)C1	1325324371	QPENVJFWVWRQFS-ZIAGYGMSSA-N	277.368	1.678	10	20	CDCD	
CN[C@@H](C)CCNC(=O)NCc1ccc(N(C)C)c(F)c1	1261376140	INEXELLMRCKGAQ-NSHDSACASA-N	296.390	1.689	10	20	CDCD	
CCn1c(C[N+](=O)[O-])nnc1N(C)Cc1ccccc1O	1342651390	LLGJBNLFPRIDDO-UHFFFAOYSA-N	291.311	1.417	10	20	CDCD	
CC(=O)N[C@H](CCC(C)C)C(=O)NCc1ccc(N)cc1	1343566817	KVDNKBRZSSXFMT-OAHLLOKOSA-N	291.395	1.826	10	20	CDCD	
CCC[C@H](NC(=O)Cc1ccc(N)cc1)C(=O)OC	1343117190	FOYLWESBKXAAOQ-LBPRGKRZSA-N	264.325	1.269	10	20	CDCD	
C[C@@H](Sc1ncc(Cl)s1)C(=O)C(=O)O	1604456438	FVLUHBQJZMSJJY-GSVOUGTGSA-N	251.716	1.931	10	20	CDCD	
O=C(O)C1(C(=O)NCc2cc(O)ccc2O)CCCCC1	1605931111	UMEWMNHKHMSHIH-UHFFFAOYSA-N	293.319	1.749	10	20	CDCD	
C[C@@H](CCCO)N[C@H](C)c1cccc(-c2nn[nH]n2)c1O	1589821887	YTRZJMQZHGQANS-VHSXEESVSA-N	291.355	1.384	10	20	CDCD	
O=C(O)[C@@H](C(=O)NCc1ccc(O)cc1O)C1CCCC1	1594834479	XIZLXBPCLMFUMG-CYBMUJFWSA-N	293.319	1.605	10	20	CDCD	
O=C(O)c1ccc(NC(=O)c2c(F)ccc(O)c2O)nc1	1595236718	CQDZMNNNHJWBFD-UHFFFAOYSA-N	292.222	1.582	10	20	CDCD	
CCN1CCc2cc(CN[C@H](CCOC)C(=O)O)ccc21	1776877043	HDORSDWZYZADFM-CQSZACIVSA-N	292.379	1.648	10	20	CDCD	
CC[C@H](COC)NC(=O)NCc1cc(OC)ccc1O	159985743	GOLZVXHNFJBOGK-LLVKDONJSA-N	282.340	1.625	10	20	CDCD	
CC[C@H]1CN(C(=O)Cc2ccc(N)cc2)CC[C@@H]1N	834646324	CLIBLNRAESCSNU-JSGCOSHPSA-N	261.369	1.397	10	20	CDCD	
CNC(=O)C(C)(C)CN[C@@H](C)c1cc(OC)ccc1O	186223690	YBNBQFVSWBKSKZ-JTQLQIEISA-N	280.368	1.824	10	20	CDCD	
CO[C@@H]1COC[C@@H]1N[C@H](C)c1cc(C)ccc1O	840827015	ZEMAVTXOHHCWRO-SCDSUCTJSA-N	251.326	1.765	10	20	CDCD	
C[C@H](NC(=O)C(C)(C)C(=O)O)c1ccccc1O	902516677	JWLLEFFUCQRGCD-QMMMGPOBSA-N	251.282	1.680	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NC2CCOCC2)cc1F	57646998	BWBMPOFJNTYGQE-UHFFFAOYSA-N	295.358	1.870	10	20	CDCD	
Cc1cc(C(=O)N2CC[C@@H](O)C2)c(C)n1-c1ccccn1	174576041	IXQKBALJLUNSOS-CYBMUJFWSA-N	285.347	1.696	10	20	CDCD	
CN(C)c1ccc(CNC(=O)C2CCNCC2)cc1	21952412	LQVSXWDAZZEIHO-UHFFFAOYSA-N	261.369	1.368	10	20	CDCD	
COc1cc(O)c(CN(C)CC(=O)NC2CC2)cc1OC	179606864	HXTNAZKZUPXHRR-UHFFFAOYSA-N	294.351	1.120	10	20	CDCD	
C[C@@H]1C(=O)NCCN1Cc1cc(Br)ccc1O	123386065	INPBEMDCLDHEEJ-MRVPVSSYSA-N	299.168	1.475	10	20	CDCD	
CC[C@H](O)CCNCc1cc2c(cc1O)OCO2	124375785	OJHHNLSAYNNVIN-JTQLQIEISA-N	253.298	1.372	10	20	CDCD	
CN(CCNC(=O)c1cccc(O)c1O)c1ccccc1	186803202	IGKKTBUIHVHPMI-UHFFFAOYSA-N	286.331	1.964	10	20	CDCD	
CN(Cc1ccc(N2CCOCC2)cc1)C[C@@H]1CCOC1	78449720	GJHIXSPEKJCQFY-INIZCTEOSA-N	290.407	1.992	10	20	CDCD	
CO[C@H]1CCCN(C(=O)c2ccc(C)c(O)c2O)C1	182323803	UWGNOGOOGWMEFB-JTQLQIEISA-N	265.309	1.657	10	20	CDCD	
COC[C@@H]1CCN(Cc2cccc(OC)c2O)C1	211444952	POFULJBYBDNVSX-LLVKDONJSA-N	251.326	1.869	10	20	CDCD	
Nc1ccc(CC(=O)N2[C@H]3CCC[C@H]2CC(N)C3)cc1	374436691	LAHNGTYMFQCMNE-GJZGRUSLSA-N	273.380	1.682	10	20	CDCD	
CCc1ccccc1NC=C1C(=O)NC(=S)NC1=O	48403194	FXRZNKXDIOUBPD-UHFFFAOYSA-N	275.333	1.076	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCC(=O)NC1	47797446	GJYZMEJUOOWSPA-ZDUSSCGKSA-N	289.379	1.237	10	20	CDCD	
C[C@H]1C[C@@H]1CNC(=O)c1cc(NS(C)(=O)=O)ccc1O	49249458	PWTMHOWATNMLRC-DTWKUNHWSA-N	298.364	1.150	10	20	CDCD	
CN(Cc1c(O)cccc1Cl)[C@@H]1CCS(=O)(=O)C1	132408051	UNWDQEAWRQJLRB-SECBINFHSA-N	289.784	1.665	10	20	CDCD	
CCCOc1ccc(CNCC2(O)CCOCC2)c(O)c1	236809651	DJQDRFKTMFXDLU-UHFFFAOYSA-N	295.379	1.812	10	20	CDCD	
CO[C@@]1(CNCc2cc(F)ccc2O)CCOC1	231293643	WERUKKBQFKDGFR-CYBMUJFWSA-N	255.289	1.426	10	20	CDCD	
C[C@H](C[S@](C)=O)N[C@H](C)c1ccc(F)cc1O	248521332	RKXSJIJXDDJRQR-MHIIWPAESA-N	259.346	1.949	10	20	CDCD	
CCS(=O)(=O)C[C@@H](C)N[C@H]1CCc2cccc(O)c21	296880386	OEJBZQZOXAAAQO-PWSUYJOCSA-N	283.393	1.792	10	20	CDCD	
CCCC[C@@H](NC(N)=O)C(=O)NCc1ccccc1O	269112781	COMXXKOXNBTKCK-LLVKDONJSA-N	279.340	1.236	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NO[C@@H]1CCCCO1	272432511	LKTFKAWLWPVKDS-HZRUHFOJSA-N	279.292	1.685	10	20	CDCD	
CC(C)[C@@H](O)C(=O)NCc1c(O)ccc2c1CCCC2	286791172	PSQJXHDVKJQFNC-OAHLLOKOSA-N	277.364	1.904	10	20	CDCD	
CC(=O)N1CCCC[C@@H]1C(=O)NCc1ccc(O)c(O)c1	286745044	LBUMPLICJLRPLT-GFCCVEGCSA-N	292.335	1.115	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H](CO)CC1CCC1	280367561	YQEKALYIRGTIAT-VUDGCMKMSA-N	291.347	1.778	10	20	CDCD	
CC[C@@H](NCc1ncn(C)n1)c1ccc(F)cc1O	285948261	DUMJPOLUEQGSGA-LLVKDONJSA-N	264.304	1.901	10	20	CDCD	
COc1ccc(O)c(CN[C@@H]2CCCN(CCCO)C2)c1	295164769	SOSKVBQYLWJAHP-CQSZACIVSA-N	294.395	1.337	10	20	CDCD	
Cc1cc(C)c([C@H](C)NCC2(CO)COC2)c(O)c1	294832135	RDNVMIJHDGIYMT-LBPRGKRZSA-N	265.353	1.669	10	20	CDCD	
C[C@H]1C[C@@H](O)CCN1C(=O)/C=C/c1ccc(O)c(O)c1	294025694	ZIROOUAILXAKIM-BIZURNDZSA-N	277.320	1.483	10	20	CDCD	
O=C(NCC(=O)N1CCCCC1)NCc1ccccc1O	299504585	MJUMSQLZTOCRPN-UHFFFAOYSA-N	291.351	1.204	10	20	CDCD	
COCc1cnc(NC(=O)c2cccc(O)c2O)s1	804305924	YKAHMPQUUGHRED-UHFFFAOYSA-N	280.305	1.953	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)[C@H](CN)OC)cc1F	290211802	SCXAOPCBTMLIAH-AWEZNQCLSA-N	297.374	1.262	10	20	CDCD	
CC[C@H](O)CNCc1ccc(N2CCC(O)CC2)c(F)c1	819122173	RZAYCPAJVGIGEU-ZDUSSCGKSA-N	296.386	1.647	10	20	CDCD	
C[C@H]1CN(Cc2cc3c(cc2O)OCO3)C[C@]1(C)CO	827700426	SQDMLJFXLHUSQX-ZUZCIYMTSA-N	279.336	1.571	10	20	CDCD	
O=C(Cc1cnc[nH]1)NCc1c(O)ccc2c1CCCC2	901132158	RGFIMCOIOOYHKA-UHFFFAOYSA-N	285.347	1.853	10	20	CDCD	
Cc1ccc(C(=O)NCc2nc(C)c(C)[nH]2)c(O)c1O	900999045	WWMANEOTRJTZLA-UHFFFAOYSA-N	275.308	1.676	10	20	CDCD	
CNC(=O)C1CN(Cc2cc(Cl)cc(F)c2O)C1	839144072	REHZFXBIGLAXTO-UHFFFAOYSA-N	272.707	1.363	10	20	CDCD	
O=C(COC(=O)c1cc(O)cs1)NCC1CCC1	732354342	JVOKJTFATMASEZ-UHFFFAOYSA-N	269.322	1.527	10	20	CDCD	
CC(=O)N1CCC(NC(=O)c2cc(O)cs2)CC1	731865863	UZJXYFJAQBUOJG-UHFFFAOYSA-N	268.338	1.194	10	20	CDCD	
O=C(N[C@H](CO)C1CCCC1)c1c(F)ccc(O)c1O	832258533	PGFZCERVWIDLGY-SNVBAGLBSA-N	283.299	1.518	10	20	CDCD	
CC[C@H](SC)C(=O)N(CC(=O)O)Cc1ccccc1O	911487732	HEQVLRVWYBTZBK-LBPRGKRZSA-N	297.376	1.947	10	20	CDCD	
CCC(C)(C)N[C@H](C)C(=O)NCc1ccc(O)cc1O	910948823	AZECCPFQPIYPNL-SNVBAGLBSA-N	280.368	1.881	10	20	CDCD	
COC[C@H](C)CC(=O)NCc1ccc(O)cc1O	910950934	LOROTWKDGYFABI-SECBINFHSA-N	253.298	1.387	10	20	CDCD	
C[C@H](CN)CNC(=O)N(C)Cc1ccccc1O	841962929	MVHPPCNYUXYYCE-SNVBAGLBSA-N	251.330	1.128	10	20	CDCD	
Nc1ccc(CCNC(=O)[C@H]2C[C@@]23CCCNC3)cc1	848394295	JMAPSALUQLBWSE-GDBMZVCRSA-N	273.380	1.317	10	20	CDCD	
CCC[C@@H](C)C(=O)NCCNC(=O)Nc1ccc(N)cc1	841300625	YAEHWLNLFCXFDT-LLVKDONJSA-N	292.383	1.943	10	20	CDCD	
CCN(CC)C(=O)CCC(=O)NCc1ccc(O)cc1O	910951880	XEGYOCQFGNDSBF-UHFFFAOYSA-N	294.351	1.363	10	20	CDCD	
Nc1ccc(CCN[C@@H]2CC[C@@H]3CNC[C@H]3C2)cc1	843126086	NHXJRIRYBORWJD-IIAWOOMASA-N	259.397	1.789	10	20	CDCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](C)N	843485584	MPUWLMMDPXNZIP-GFCCVEGCSA-N	263.385	1.837	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NC(C)(C)CN)cc1F	841760283	JSVQDLOLAAKJSA-UHFFFAOYSA-N	282.363	1.428	10	20	CDCD	
CN[C@@H]1CCN(Cc2c(O)ccc(Cl)c2F)C1	843044515	FRMZNZAYCHAKIJ-MRVPVSSYSA-N	258.724	1.978	10	20	CDCD	
O=C(NCc1cc(Cl)ccc1O)[C@]1(O)CCSC1	846474618	WXTMBCFOZUYWIZ-LBPRGKRZSA-N	287.768	1.530	10	20	CDCD	
COCCOCCNCc1ccc(OC)c(C)c1	44424179	LKTIRVDFLXEFEN-UHFFFAOYSA-N	253.342	1.756	10	20	CDCD	
CCN1C[C@H](CNCc2cc([N+](=O)[O-])ccc2O)CC1=O	846092245	BBFJYDFXFOYTLK-JTQLQIEISA-N	293.323	1.258	10	20	CDCD	
C[C@H](CC(N)=O)NCc1ccc(N2CCSCC2)cc1	749125905	JHBZLXGLAPJJKU-GFCCVEGCSA-N	293.436	1.593	10	20	CDCD	
CN(Cc1cc(O)n2ncc(C(=O)O)c2n1)C1CCCC1	846234786	LEEILFRFQRJTGV-UHFFFAOYSA-N	290.323	1.508	10	20	CDCD	
Cc1cc(O)c(CN2CCN(C)C[C@H]2CN)cc1C	843120897	XMBGNFXCLJOJRL-CQSZACIVSA-N	263.385	1.084	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)CCc2ccncn2)c1	862757139	IVBZGRFPZCDELD-UHFFFAOYSA-N	271.320	1.740	10	20	CDCD	
CCOc1ccc(CN(C)[C@H]2CCN(C)C2=O)c(O)c1	769463732	PKQUGGMFUKDWJN-ZDUSSCGKSA-N	278.352	1.453	10	20	CDCD	
OC[C@H](CNCc1ccccc1O)Cc1ccco1	768840501	DNAVKDZYPGVMLT-LBPRGKRZSA-N	261.321	1.926	10	20	CDCD	
Cc1ccc(C(=O)OC[C@@H]2CC3(CC3)C(=O)O2)c(O)c1O	763170201	SEOGRKKRJYWSQX-VIFPVBQESA-N	292.287	1.659	10	20	CDCD	
C[C@H](C(=O)NCCCSc1nccs1)N(C)C	874464637	FVTNAUPEYIIYFY-SECBINFHSA-N	273.427	1.692	10	20	CDCD	
OCC[C@@H]1CCCN1Cc1cc2c(cc1O)OCO2	779202583	OULRDVWVIIYROZ-NSHDSACASA-N	265.309	1.468	10	20	CDCD	
O=C1CN(Cc2cccc(Cl)c2O)CCCN1	775662315	FLANTBPEMRTRMJ-UHFFFAOYSA-N	254.717	1.368	10	20	CDCD	
COC[C@@](C)(O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	775406358	XRTRFPBMDKYWSP-XHDPSFHLSA-N	280.368	1.327	10	20	CDCD	
CCN(C)C(=O)CCN[C@H](C)c1ccccc1O	879648228	FUBAKRAESVJBKB-LLVKDONJSA-N	250.342	1.911	10	20	CDCD	
CC(=O)N1CCC(NCc2c(C)cccc2O)CC1	876898353	LRDQHDFQNIDJMK-UHFFFAOYSA-N	262.353	1.801	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H](CCO)C1CC1	779533221	HPRNRIAUJUWSLL-DWMUBGRBSA-N	277.320	1.388	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNCC2(OC)CCC2)c1O	775054897	AAISCBIXOLMQLC-UHFFFAOYSA-N	296.323	1.968	10	20	CDCD	
CC[C@@H]1C(=O)NCCCN1C(=O)c1cc(O)cs1	886504712	QBNRPINDYOWMBJ-SECBINFHSA-N	268.338	1.194	10	20	CDCD	
CCOCCONC(=O)c1ccc(C)c(O)c1O	775234555	LTRKLTLXQMLBNP-UHFFFAOYSA-N	255.270	1.104	10	20	CDCD	
C[C@@H](NCCCc1cnn(C)n1)c1c(O)cccc1F	886614333	UDGXZOFWRZINCW-SNVBAGLBSA-N	278.331	1.943	10	20	CDCD	
COc1ccc(CN[C@H]2C[C@H](CO)C2)c(O)c1OC	897355609	YDOROWCQBVHIBZ-HOMQSWHASA-N	267.325	1.270	10	20	CDCD	
CC(C)(C)OC(=O)C1CN(C(=O)c2cc(O)cs2)C1	1124083338	RBKZWSSXXREBEN-UHFFFAOYSA-N	283.349	1.867	10	20	CDCD	
COC[C@@H]1CCN(Cc2ccc(OC)c(OC)c2O)C1	892022057	STJRJWKQMGZJPS-LLVKDONJSA-N	281.352	1.878	10	20	CDCD	
CC(=O)N[C@H](C(=O)N(C)Cc1ccccc1O)C(C)C	42117101	RJXQCZMNHIZLMU-AWEZNQCLSA-N	278.352	1.511	10	20	CDCD	
OCC1(NCc2c(O)ccc(Cl)c2F)CCOCC1	790966289	IFENIWBSOOAZDJ-UHFFFAOYSA-N	289.734	1.816	10	20	CDCD	
Oc1c(F)cc(F)cc1CN[C@@H]1CCN(C2CC2)C1	708495623	ZVOXXGKFCNIFCU-LLVKDONJSA-N	268.307	1.997	10	20	CDCD	
CCn1ncnc1CNCc1ccc(N(C)C)cc1	793343973	OMCQWUAROCCYIG-UHFFFAOYSA-N	259.357	1.654	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)CO[C@H]2CCOC2)c1	1253770053	RJBYCXMCNPAWGO-PWSUYJOCSA-N	295.335	1.384	10	20	CDCD	
COc1ccc(N2CC[C@H](CN[C@@H](C)[C@@H](C)O)C2)cc1	1325853976	INZWLBAERMSZFF-BFHYXJOUSA-N	278.396	1.880	10	20	CDCD	
C=C=CCNC(=O)NCc1ccc(N2CCOCC2)cc1	1348483190	MHJOENBRVYKLOQ-UHFFFAOYSA-N	287.363	1.664	10	20	CDCD	
O=C(C[C@H]1CCOC1)NCc1cccc(O)c1O	1349079185	LWWUCBRLNWAEJM-SECBINFHSA-N	251.282	1.141	10	20	CDCD	
O=C(O)c1n[nH]c2c1CN(C(=O)c1cc(O)cs1)CC2	1608994872	UQWWWVILRYWIHS-UHFFFAOYSA-N	293.304	1.074	10	20	CDCD	
Cc1cc(O)nc(CSc2ncc(C(=O)O)s2)n1	1600285313	JFUWSXUPHXZJSE-UHFFFAOYSA-N	283.334	1.938	10	20	CDCD	
C[C@H]1CCN(Cc2cc3c(cc2O)OCO3)[C@H](C(=O)O)C1	1604754218	TYDKSQMXMZMYRZ-ONGXEEELSA-N	293.319	1.806	10	20	CDCD	
C[C@@H](NC(=O)c1cc2cc(O)c(O)cc2s1)C(=O)O	1574658316	QOJJWNOQKGDPRZ-RXMQYKEDSA-N	281.289	1.515	10	20	CDCD	
C[C@H](N[C@H]1C[C@@](C)(O)C1)c1cccc(-c2nn[nH]n2)c1O	1589978356	OEGZTOWGBOFIDS-UINNMSKDSA-N	289.339	1.136	10	20	CDCD	
COc1ccc(N2CCN(CC(OC)OC)CC2)cc1F	161504340	OGDJNDOVWNXPCB-UHFFFAOYSA-N	298.358	1.575	10	20	CDCD	
CCOc1ccc(O)c(CN2CCC(O)CC2)c1	162267153	OYMRMWHTLPPAOQ-UHFFFAOYSA-N	251.326	1.748	10	20	CDCD	
C[C@H]1CCC[C@]1(O)CNC(=O)Nc1ccc(N)cc1	841300690	ZZXZHZOMILHRQQ-HZMBPMFUSA-N	263.341	1.941	10	20	CDCD	
COc1ccc(O)c(CNCCO[C@H]2CCOC2)c1	897201553	KYHNMIKFZWTZSX-ZDUSSCGKSA-N	267.325	1.296	10	20	CDCD	
C[C@@H](C[S@@](C)=O)NCc1ccc(N2CCOCC2)cc1	168190977	QUIQUUHYYHMTPB-RBZFPXEDSA-N	296.436	1.380	10	20	CDCD	
Nc1ccc(CC(=O)N[C@@H](CC(F)(F)F)C(=O)O)cc1	312611984	GVRVPOQLKQPKGB-VIFPVBQESA-N	290.241	1.333	10	20	CDCD	
COC[C@@H]1CCCCN(C(=O)c2cccc(O)c2O)C1	370501391	WXSWYFZZMXGGOY-LLVKDONJSA-N	279.336	1.987	10	20	CDCD	
C[C@@H]1CS(=O)(=O)C[C@@H]1NCc1cc(F)cc(F)c1O	711658385	BOCHGSJKBQIFLP-HQJQHLMTSA-N	291.319	1.193	10	20	CDCD	
O=C(N[C@@H](CO)C1CCCCC1)c1cccc(O)c1O	386039318	SJNWXQNXLBPRID-LBPRGKRZSA-N	279.336	1.769	10	20	CDCD	
C[C@@H]1CSC[C@H]1NC(=O)c1cccc(O)c1O	397945006	SHAWOOHVMQAYJQ-VXNVDRBHSA-N	253.323	1.579	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@@]1(F)CCOC1	1346392980	VGGYFQPTGIOVPX-CYBMUJFWSA-N	253.273	1.479	10	20	CDCD	
C[C@](O)(CNCc1cc([N+](=O)[O-])ccc1O)c1ccco1	304279831	DJVTXJOJYNEOHM-AWEZNQCLSA-N	292.291	1.891	10	20	CDCD	
CCNC(=O)CN(CC)Cc1cccc(C)c1O	124518177	RFKBQXQYFUOFOE-UHFFFAOYSA-N	250.342	1.659	10	20	CDCD	
CCNC(=O)CNCc1cc(Cl)cc(Cl)c1O	36780442	RGIBSFSWPULTSI-UHFFFAOYSA-N	277.151	1.925	10	20	CDCD	
C[C@@H]1CN(C(=O)CN(C)Cc2ccccc2O)CCO1	171927065	UYCRSPWRGKOWLR-GFCCVEGCSA-N	278.352	1.071	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cn[nH]c1	186426784	AMVBKQWVEDIHKQ-MRVPVSSYSA-N	261.281	1.182	10	20	CDCD	
COc1ccc(O)c(CNC(=O)Nc2ccncn2)c1	194156428	NNZWWGYQMCGRJG-UHFFFAOYSA-N	274.280	1.513	10	20	CDCD	
Cc1cc(O)ccc1NS(=O)(=O)N1CCCC1	80357964	CAUIDGCKDPIMGM-UHFFFAOYSA-N	256.327	1.453	10	20	CDCD	
COCCN(CC(=O)O)Cc1ccc(N(C)C)cc1	86803897	XSQUPBDQIOGLAV-UHFFFAOYSA-N	266.341	1.286	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2C[C@H](C)O[C@H](CO)C2)c1O	248881413	WYPNGWGCWSTBNT-ZANVPECISA-N	297.326	1.316	10	20	CDCD	
CC[C@H]1CN(Cc2cc(OC)c(OC)cc2O)C[C@H]1O	271907405	LUIQTNJOUVZVPH-GXFFZTMASA-N	281.352	1.612	10	20	CDCD	
CNS(=O)(=O)C1CCN(Cc2cc(C)ccc2O)CC1	271173038	JMMRSEQYXCNIHL-UHFFFAOYSA-N	298.408	1.214	10	20	CDCD	
COc1ccc(O)c(CN2CCC(CCC(N)=O)CC2)c1	271798825	KKTZKIPJXCJSQU-UHFFFAOYSA-N	292.379	1.878	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@](C)(O)C1CC1	274978678	WXGXLEOPVWIBDG-QFYYESIMSA-N	293.363	1.696	10	20	CDCD	
Cc1ccc(C(=O)N2CCC3(CCO3)CC2)c(O)c1O	374437273	BIKSFKBXOXWXHX-UHFFFAOYSA-N	277.320	1.801	10	20	CDCD	
Cc1cc(CN2CC[C@](C)(C(N)=O)C2)ccc1N(C)C	294268323	VJFZOQJXQVCMNG-INIZCTEOSA-N	275.396	1.758	10	20	CDCD	
CC(C)[C@]1(CO)CCCN(C(=O)c2cccc(O)c2O)C1	294730556	LPCVLAWEINCXKG-MRXNPFEDSA-N	293.363	1.969	10	20	CDCD	
O=C(Cc1ncc[nH]1)NCc1ccc(N2CCCC2)cc1	816866307	LNZMJPWGOLJJBR-UHFFFAOYSA-N	284.363	1.869	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CCN(C(=O)O)CC2)c1O	823628455	QQVCTSRCBCSCGS-UHFFFAOYSA-N	296.298	1.530	10	20	CDCD	
COc1ccc(N2CC[C@@H](CNC(=O)C[C@@H](C)N)C2)cc1	831752823	FLPQDNGVKYDWSK-OLZOCXBDSA-N	291.395	1.375	10	20	CDCD	
C[C@@H]1CN(c2ccc(/C=C\C(=O)O)cc2[N+](=O)[O-])C[C@@H]1O	833635583	VZLMEUHQTNXPNA-PKVJSOQTSA-N	292.291	1.510	10	20	CDCD	
C[C@H](NC[C@]1(C)CCC(=O)N1)c1cc([N+](=O)[O-])ccc1O	834910752	ZCIUAZKIMQGCGI-XPTSAGLGSA-N	293.323	1.620	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)NCCc1nccs1	588405585	OYWYMGXLHCNTPW-RQOWECAXSA-N	290.344	1.926	10	20	CDCD	
CCC(CC)(NC(=O)Cc1ccc(N)cc1)C(=O)OC	843445152	QHJKPOFLCQHHAF-UHFFFAOYSA-N	278.352	1.659	10	20	CDCD	
O=C(NCc1ccccn1)NCc1ccccc1O	748450749	LGEQSXMDPFTDGU-UHFFFAOYSA-N	257.293	1.787	10	20	CDCD	
COc1cccc(CN2CC[C@@]3(CCCN3)C2)c1O	841105250	CRNLFKBAFRAWFV-HNNXBMFYSA-N	262.353	1.729	10	20	CDCD	
CNC[C@@H]1CCCN1Cc1cc(F)cc(C(C)=O)c1O	843352295	DCEJWBCFMIMNAW-ZDUSSCGKSA-N	280.343	1.918	10	20	CDCD	
COc1cc(O)c(CN2CC[C@H](N)C[C@@H]2C)cc1OC	846704189	SEBVHONTJIRYEI-JQWIXIFHSA-N	280.368	1.721	10	20	CDCD	
C[C@@H](CNC(=O)NCc1ccc(N(C)C)c(F)c1)C(=O)O	848577973	SWEHQPLBGGSCJS-VIFPVBQESA-N	297.330	1.412	10	20	CDCD	
COc1cc(O)c(CN[C@@H]2CO[C@H](C)C2)cc1OC	843433006	UDQLIOGSLCWFAA-KOLCDFICSA-N	267.325	1.676	10	20	CDCD	
CN(C)c1ccc(CNC[C@@H]2CCCNC2)cc1F	841033360	RUAPNKNXOHDCKA-CYBMUJFWSA-N	265.376	1.981	10	20	CDCD	
Cc1cccc(CNC[C@H]2CNCCCO2)c1O	841086100	MJTLUNHPKMITTL-CYBMUJFWSA-N	250.342	1.169	10	20	CDCD	
Cc1cccc(CN2C[C@@H]3COC[C@]3(C(=O)O)C2)c1O	854243060	WTFDRLNOPOLHJC-IUODEOHRSA-N	277.320	1.234	10	20	CDCD	
CO[C@@H]1COC[C@H]1N[C@@H](C)c1ccc(N(C)C)cc1	842911134	YAGWUWOGRSEZBI-NILFDRSVSA-N	264.369	1.817	10	20	CDCD	
CN(C)c1cc(F)c(CN[C@H]2C[C@@H](CO)C2)cc1F	864054626	XBCVECIZYHJYCZ-JGZJWPJOSA-N	270.323	1.891	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@H](C)n2cccn2)c1	862758965	RHHNWUKQUBFLBP-NSHDSACASA-N	259.309	1.775	10	20	CDCD	
COC[C@@H](C)NC(=S)N[C@H](C)c1ccccc1O	865269704	XEIQEYPDWYPTAF-NXEZZACHSA-N	268.382	1.952	10	20	CDCD	
COC(=O)NC(C)(C)C(=O)NCc1cc(OC)ccc1O	769540830	JZGAFXGILQEBHF-UHFFFAOYSA-N	296.323	1.152	10	20	CDCD	
Cc1ccc(CN2CCOC[C@@H]2c2noc(C)n2)c(O)c1	877176487	QJKAXYAURJRTEG-CYBMUJFWSA-N	289.335	1.966	10	20	CDCD	
CN[C@H](C)CCNC(=O)N[C@@H](C)c1cc(OC)ccc1O	1118031198	AFDIACQTSVZDKU-MNOVXSKESA-N	295.383	1.759	10	20	CDCD	
CSC[C@H](O)Cn1cc(COc2ccc(N)cc2)nn1	881419864	SHYDNBPUZXWSGG-GFCCVEGCSA-N	294.380	1.163	10	20	CDCD	
Cc1cncc(C(=O)OCC(=O)c2ccc(O)c(O)c2)c1	783908487	RUOTVOBVURBZLD-UHFFFAOYSA-N	287.271	1.841	10	20	CDCD	
COc1cccc(CNC(=O)[C@H]2CO[C@H](C)C2)c1O	784444627	YTXUSHAEBPRGER-MWLCHTKSSA-N	265.309	1.442	10	20	CDCD	
C[C@H]1C[C@H](C(=O)OCC(=O)c2ccc(O)c(O)c2)CCO1	784567426	MLXQCMSWQQCIKY-GXSJLCMTSA-N	294.303	1.639	10	20	CDCD	
Cc1ccc(C(=O)NCCCCn2ccnc2)c(O)c1O	780940514	OUCLQSLHWRHJIW-UHFFFAOYSA-N	289.335	1.813	10	20	CDCD	
O=C1CN(Cc2cc(F)cc(F)c2O)[C@H]2CCCC[C@H]2N1	893984071	KQOIBAAZGYJPDK-OLZOCXBDSA-N	296.317	1.913	10	20	CDCD	
O=C1NCCN1CCNCc1cc(Cl)cc(F)c1O	895814557	PAXAWRKWSXDCHB-UHFFFAOYSA-N	287.722	1.300	10	20	CDCD	
CCOCc1cc(CNCc2nnn(C)n2)ccc1OC	785617301	KWHWAHQCLUNURM-UHFFFAOYSA-N	291.355	1.045	10	20	CDCD	
[N-]=[N+]=NCC(=O)N1CC[C@@](CO)(C(F)(F)F)C1	409425233	ABSCHUIJVDXYTE-SSDOTTSWSA-N	252.196	1.070	10	20	CDCD	
C[C@@H](NCCS(=O)(=O)N1CCCC1)c1ccccc1O	721875404	VRQCVAIAOVMOJH-GFCCVEGCSA-N	298.408	1.468	10	20	CDCD	
CC[C@H](C)NC(=O)COC(=O)c1cccc(O)c1O	790073240	HAGXHXAUZJXNND-QMMMGPOBSA-N	267.281	1.169	10	20	CDCD	
C[C@@H](NC(=O)CO[C@H]1CCCNC1)c1ccccc1O	877256536	ZBWMRNHEGWNRKJ-NEPJUHHUSA-N	278.352	1.338	10	20	CDCD	
C[C@@H](CC(=O)OC(C)(C)C)NC(=O)c1cccc(O)c1O	1322340455	WDIABEXQJVFTIE-VIFPVBQESA-N	295.335	1.948	10	20	CDCD	
O=C(O)C1(CNCc2ccc(N3CCOCC3)cc2)CC1	1339101067	IHNPGWSVYOKDQD-UHFFFAOYSA-N	290.363	1.478	10	20	CDCD	
CCN(CC)c1ccc(CN[C@@H](CCO)C(=O)O)cc1F	1333185834	UCLLTQQBKKIQON-ZDUSSCGKSA-N	298.358	1.597	10	20	CDCD	
Cn1cc(C(C)(C)NC(=O)NCc2ccc(N)cc2)cn1	1337078155	GCJFJQMLSSFIGO-UHFFFAOYSA-N	287.367	1.737	10	20	CDCD	
CCc1nn(C)cc1C(=O)NCc1ccccc1O	221006861	LEAQMUWCDGJWAI-UHFFFAOYSA-N	259.309	1.618	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@H]2C[C@H](C(=O)O)C2)c1O	1604679676	CWJRXRMPCHWKBP-KYZUINATSA-N	296.279	1.262	10	20	CDCD	
C[C@@H]1CN(C(=O)C2=CC[C@@H](N)C2)c2cccc(F)c2O1	1576762129	IBYCQNCLYOQFTJ-MWLCHTKSSA-N	276.311	1.987	10	20	CDCD	
CO[C@@H]1COC[C@@H]1N[C@@H](C)c1cc(C(=O)O)ccc1O	1599321952	IVCKBGIYJMRKHO-LJUAHTATSA-N	281.308	1.155	10	20	CDCD	
COC[C@@](C)(CC(=O)O)NCc1cc2c(cc1O)OCO2	1599149281	BGBOCSOAGDZQNZ-CQSZACIVSA-N	297.307	1.090	10	20	CDCD	
CCOc1ccc(CN2C[C@@H](O)C[C@@H](C(=O)O)C2)c(O)c1	1597102077	MVLVPIBVELJFNM-NEPJUHHUSA-N	295.335	1.058	10	20	CDCD	
CC1([C@H](NCc2cc([N+](=O)[O-])ccc2O)C(=O)O)CC1	1776514189	IZKBHXADWXXVTP-LLVKDONJSA-N	280.280	1.643	10	20	CDCD	
CC[C@@H](C(=O)N[C@@H](C)c1cc(OC)ccc1O)N(C)C	151545368	VVPBQCRJXXCFNT-GWCFXTLKSA-N	280.368	1.918	10	20	CDCD	
CS(=O)(=O)[C@H]1CCN(Cc2cc(Cl)ccc2O)C1	800533688	CTOSZGVCPLRXMF-NSHDSACASA-N	289.784	1.665	10	20	CDCD	
C[C@@H](C[C@H]1COCCN1)NCc1ccc2c(c1)CCO2	817902405	PSAJFGDHOCQEQZ-WFASDCNBSA-N	276.380	1.478	10	20	CDCD	
C[C@H](NCc1cnnn1C)c1ccc(F)cc1O	287301405	KPUMKCVXKHLYAH-QMMMGPOBSA-N	250.277	1.511	10	20	CDCD	
C[S@@](=O)C1(CN[C@H]2CCc3cccc(O)c32)CC1	296573558	VHCWIHLQSHVPQJ-BBATYDOGSA-N	265.378	1.880	10	20	CDCD	
O=C1CC[C@H](NCc2cc(Cl)ccc2O)CCN1	396743350	IZJDSJSCVYVRBZ-NSHDSACASA-N	268.744	1.804	10	20	CDCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2NC[C@@H]1CNC(=O)C1	398423860	WIJTZMJNEZCAAD-IJLUTSLNSA-N	274.364	1.975	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CSCCO)cc1	7199537	BBWRXPORTUESBP-UHFFFAOYSA-N	268.382	1.094	10	20	CDCD	
CCNS(=O)(=O)NCc1ccc2c(c1)CCCN2C	172452110	UPLLQRCCBLJDEX-UHFFFAOYSA-N	283.397	1.013	10	20	CDCD	
CCOC(=O)C(C)(C)CC(=O)NCc1ccc(N)cc1	1346209100	DUITYXBSLHFDNI-UHFFFAOYSA-N	278.352	1.864	10	20	CDCD	
C[C@]1(CNC(=O)c2cccc(O)c2O)CCCC[C@@H]1O	185794709	XDYACQMHRYIXNN-SWLSCSKDSA-N	279.336	1.769	10	20	CDCD	
COc1ccc(O)c([C@H](C)N[C@@H](C)c2nnnn2C)c1	189844573	GBMWMSUQKBZLOW-IUCAKERBSA-N	277.328	1.336	10	20	CDCD	
C[C@@H]1[C@H](C(=O)O)CCN1Cc1cc(F)ccc1O	235338490	LHXRMUYDOFDPCQ-LDYMZIIASA-N	253.273	1.826	10	20	CDCD	
CN1CCN(Cc2ccc(N(C)C)c(F)c2)CC1=O	127342216	YIFUUEKNIJXJTR-UHFFFAOYSA-N	265.332	1.166	10	20	CDCD	
CCO[C@H](CCN(C)C)CNC(=O)c1cccc(O)c1O	193131563	OOJYGPSODXMTDA-LLVKDONJSA-N	296.367	1.184	10	20	CDCD	
CCOc1cccc(CN[C@H](C)C(=O)OC)c1O	42304326	XLMUSVGXPWMJSH-SECBINFHSA-N	253.298	1.442	10	20	CDCD	
CCOc1ccc(O)c(CN2C[C@@H]3CN(C)C[C@@H]3C2)c1	194539722	NNTJZFWTGBBGHR-OKILXGFUSA-N	276.380	1.784	10	20	CDCD	
CCCC[C@H](NCc1cc2c(cc1O)OCO2)C(=O)OC	274907321	ISWKRYGGLRJRMD-NSHDSACASA-N	295.335	1.942	10	20	CDCD	
CC[C@@H](C)[C@H](O)CNCc1ccc([N+](=O)[O-])c(OC)c1O	278950230	ZHCWEXNNVXJRIS-BXKDBHETSA-N	298.339	1.806	10	20	CDCD	
Cc1ccc([C@@H](C)NC[C@@]2(O)CCOC2)c(O)c1C	273524589	UYCICBBZPFLJTO-DOMZBBRYSA-N	265.353	1.811	10	20	CDCD	
O=C(O)[C@@]1(NCc2cc([N+](=O)[O-])ccc2O)CCSC1	283776128	CPHLMWRMKXCUHP-GFCCVEGCSA-N	298.320	1.350	10	20	CDCD	
COC(=O)c1cnc(NCc2ccc(N(C)C)cc2)nc1	804330157	MXCNHJSWQQESJB-UHFFFAOYSA-N	286.335	1.941	10	20	CDCD	
CCn1ncnc1COC(=O)/C=C\c1ccc(O)c(O)c1	801291945	XCEBXIMXUJQHTF-XQRVVYSFSA-N	289.291	1.466	10	20	CDCD	
COC(=O)c1cnc(SCc2ccnn2C)s1	295151032	FGZRXBYAAZFWHS-UHFFFAOYSA-N	269.351	1.956	10	20	CDCD	
CCOCc1nc([C@@H](C)NC(=O)c2cc(O)cs2)no1	812315155	QGCAMZMTXVSZEN-SSDOTTSWSA-N	297.336	1.864	10	20	CDCD	
C[C@@H](NCC(F)(F)CN)c1cc(F)cc(F)c1O	817966495	PBPQHWQRMYPPAN-ZCFIWIBFSA-N	266.238	1.915	10	20	CDCD	
O=[N+]([O-])c1ccc(O)c(CNC[C@@H](O)C2CCC2)c1	825240460	LYUGYGHZSOCDQJ-CYBMUJFWSA-N	266.297	1.551	10	20	CDCD	
O=C(Cc1cn2ccccc2n1)NCc1ccccc1O	728211369	UKSJLLZCJRXHSJ-UHFFFAOYSA-N	281.315	1.899	10	20	CDCD	
COCC(COC)NCc1cc(Cl)c(F)cc1O	824926748	RPQHIUKREDCFAC-UHFFFAOYSA-N	277.723	1.936	10	20	CDCD	
C[C@@H]1OC(=O)N[C@@H]1C(=O)N[C@H](C)c1ccccc1O	827941141	NTWSYLTYAYKAET-FYBVGQRMSA-N	264.281	1.066	10	20	CDCD	
Oc1ccc(F)cc1CN1C[C@@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1	824838781	RLLRFCAYDMQDQM-DDHJSBNISA-N	261.296	1.917	10	20	CDCD	
O=C(O)[C@@]1(NCc2cc(F)cc(F)c2O)CCOC1	904010012	OGXNWRFCNQLFKH-GFCCVEGCSA-N	273.235	1.004	10	20	CDCD	
COc1ncc(/C=C\C(=O)N(C)c2cccc(C)n2)cn1	492643246	BWXDVQGNEMUBMC-FPLPWBNLSA-N	284.319	1.865	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1cnc[nH]1	734558421	TZIHLBHJQHKXSC-UHFFFAOYSA-N	258.325	1.714	10	20	CDCD	
CCn1cnnc1CCNCc1c(O)cccc1Cl	735926156	KQHNUUYOAIVXOP-UHFFFAOYSA-N	280.759	1.989	10	20	CDCD	
O=S(=O)(CC1CC(F)(F)C1)NCc1ccccc1O	830605228	MNUDQDXRGZAPKI-UHFFFAOYSA-N	291.319	1.857	10	20	CDCD	
CCOC(=O)CCN(C)C(=O)c1cc(O)cs1	732277639	PRSJJZFKXXGJGO-UHFFFAOYSA-N	257.311	1.479	10	20	CDCD	
O=C(O)c1cccc(C(=O)NCc2ccc(O)c(O)c2)n1	833328667	WPLKLUVWJDMLJW-UHFFFAOYSA-N	288.259	1.121	10	20	CDCD	
C[C@]1(CNCc2cc(Cl)cc(F)c2O)CCC(=O)N1	835060879	ORBOZZYXAVXJEQ-CYBMUJFWSA-N	286.734	1.943	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@@H](N)[C@H](C)C1	841823481	CIYZJMJNHHAAJC-IUODEOHRSA-N	290.411	1.550	10	20	CDCD	
COc1ccc(N2CC[C@@H](CNC3=NCCN3C)C2)cc1	849044164	XEWQHVUNIGGSTP-ZDUSSCGKSA-N	288.395	1.413	10	20	CDCD	
CC[C@H](N)CNCc1ccc([N+](=O)[O-])c(OC)c1O	841071701	IXBIPKCNHROFRJ-VIFPVBQESA-N	269.301	1.136	10	20	CDCD	
COc1ccc(CNC(=O)[C@@H](C)CC(=O)O)c(O)c1	911718828	RXEGUCHORRIAHA-QMMMGPOBSA-N	267.281	1.128	10	20	CDCD	
Cc1ncsc1/C=C1/C(=O)NN(c2ccccc2)C1=O	742434666	MLKIKNPBRPRBRM-XFFZJAGNSA-N	285.328	1.913	10	20	CDCD	
CCN(CC)c1ccc(CN2CC[C@@H](O)[C@@H](CO)C2)cc1	840975451	NVQYXOJZFMZIDH-NVXWUHKLSA-N	292.423	1.708	10	20	CDCD	
CCn1cc(CNC[C@@H](N)c2ccc(N(C)C)cc2)cn1	841041813	FPWOUJYVWBHUGX-MRXNPFEDSA-N	287.411	1.759	10	20	CDCD	
C[C@@H](NCCOCCO)c1ccc(Cl)cc1O	841745152	VHVCJMPDIRCFDD-SECBINFHSA-N	259.733	1.705	10	20	CDCD	
CCN1C(=O)/C(=C/c2cnnn2CC)SC1=S	841487231	KHAIGMYDTZZABE-YVMONPNESA-N	268.367	1.519	10	20	CDCD	
Cc1ccc(C(=O)N2CCC([C@H](C)CO)CC2)c(O)c1O	846471676	QWXONSUJQCWNQI-LLVKDONJSA-N	293.363	1.887	10	20	CDCD	
CCOc1ccc(O)c(CN2CC[C@@]3(CCNC3)C2)c1	843120737	SZTOMUULLORJTL-MRXNPFEDSA-N	276.380	1.976	10	20	CDCD	
Cc1cc(CN(C)C[C@H]2COCCO2)ccc1N(C)C	852498454	ICUGDTIVPKORBO-HNNXBMFYSA-N	278.396	1.908	10	20	CDCD	
CON(C)C(=O)[C@H](C)N[C@H](C)c1ccc(N(C)C)cc1	858582026	LELOATDKSJEIFK-NEPJUHHUSA-N	279.384	1.812	10	20	CDCD	
O=[N+]([O-])c1ccc(O)c(CNCCO[C@@H]2CCOC2)c1	922939422	OOJYACZKTLASNB-GFCCVEGCSA-N	282.296	1.196	10	20	CDCD	
Cc1nccn1CCOC(=O)c1cccc(O)c1O	758558035	MXVOLENKIYAVFR-UHFFFAOYSA-N	262.265	1.460	10	20	CDCD	
CN(C)c1ccc(CNC[C@H]2C[C@@H](O)C2)cc1F	858296378	NYPPNCOGYBAFBI-TXEJJXNPSA-N	252.333	1.752	10	20	CDCD	
Cn1c(CO)cnc1SCC(=O)c1ccc(O)c(O)c1	750004783	FKMVKKKDRYKXJF-UHFFFAOYSA-N	294.332	1.299	10	20	CDCD	
COC/C=C/C(=O)N[C@@H](C)c1cc(OC)ccc1O	866764759	ORXSSHVHWYRDDW-YEZKRMTDSA-N	265.309	1.781	10	20	CDCD	
C[C@@H](NC(=O)N[C@H](C)c1ccccc1O)C(=O)N(C)C	868112901	WLZNZLCUELFMPG-NXEZZACHSA-N	279.340	1.229	10	20	CDCD	
CN(C)c1cc(F)c(CN[C@H]2C(=O)NCC2(C)C)cc1F	864052389	JQWCKVLHDSILJI-ZDUSSCGKSA-N	297.349	1.645	10	20	CDCD	
Oc1cc2c(cc1CN1C[C@H]3CC[C@H]1[C@H](O)C3)OCO2	1119337332	FREYULHMOHGCBU-XHVZSJERSA-N	277.320	1.466	10	20	CDCD	
CCn1nncc1CNC(=O)N[C@H](C)c1ccccc1O	868798829	XVWOCUIEJXISBW-SNVBAGLBSA-N	289.339	1.564	10	20	CDCD	
C[C@H](NC[C@@H]1COCCN1)c1ccc(N(C)C)cc1	863545271	NBLKOSULXSDCJB-GXTWGEPZSA-N	263.385	1.392	10	20	CDCD	
CN(C(=O)c1c[nH]nc1-c1cccnc1)c1cn[nH]c1	1116545888	NSVHGUOYBICQSK-UHFFFAOYSA-N	268.280	1.471	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)NCc1cocn1	779515885	VKZRIKZMGKBXNX-RQOWECAXSA-N	260.249	1.415	10	20	CDCD	
C[C@@H](Nc1nccn2nnnc12)c1ccc(N(C)C)cc1	772299052	VRMORZSPXCJUNC-SNVBAGLBSA-N	283.339	1.758	10	20	CDCD	
COC(=O)c1cc(CNCc2cc(OC)ccc2O)on1	877035279	DHAJZSSZGAPYEK-UHFFFAOYSA-N	292.291	1.465	10	20	CDCD	
Cc1ccc(CN2CCc3nnc(O)cc3C2)c(O)c1	877413841	SCCQEMPFTBKRLT-UHFFFAOYSA-N	271.320	1.755	10	20	CDCD	
C[C@@H](NCc1nc(=O)n(C)[nH]1)c1ccc(N(C)C)cc1	775832969	DGDJLOVHBVAGIY-SNVBAGLBSA-N	275.356	1.025	10	20	CDCD	
COCCO[C@@H]1COCC[C@@H]1NCc1cccc(C)c1O	777219939	OHTFBGRSILLOPY-LSDHHAIUSA-N	295.379	1.611	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CN2C[C@H]3C=C[C@H]2C3)cc1	880450572	NYZXLIJJZRYTCQ-HOCLYGCPSA-N	285.391	1.629	10	20	CDCD	
CCn1[nH]c(C)nc1=NC(=O)NCc1cc(C)ccc1O	888547758	ULWNQNJPJVOFJC-UHFFFAOYSA-N	289.339	1.364	10	20	CDCD	
CCOc1ccc(CNC[C@]2(O)CCO[C@H]2C)c(O)c1	788532979	BFWXJCPDVFSVGC-XHDPSFHLSA-N	281.352	1.420	10	20	CDCD	
CC[C@@H](CNCc1ccc(OC)c(OC)c1O)OC	894552295	HKVVQMIBWZMEPO-NSHDSACASA-N	269.341	1.924	10	20	CDCD	
COC(=O)[C@](C)(CO)NCc1cc(Cl)c(F)cc1O	894971723	FWTCYDYAMGMOHO-LBPRGKRZSA-N	291.706	1.198	10	20	CDCD	
COc1ccc(CNC(=O)[C@@H](C)SC)c(O)c1	794381897	RIBVIJBFUICBBB-MRVPVSSYSA-N	255.339	1.769	10	20	CDCD	
COc1ccc(CNC(=O)c2cccc3nn[nH]c23)c(O)c1	794388397	RTFODJXVZYOLLU-UHFFFAOYSA-N	298.302	1.602	10	20	CDCD	
OC[C@@H]1CN(Cc2ccc(N3CCCC3)cc2)CC[C@H]1O	1204325020	QFSLBFAQTXWMNC-DOTOQJQBSA-N	290.407	1.462	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@]1(F)CCOC1	1324098427	AQQHBJIALDNAGV-XPTSAGLGSA-N	283.299	1.274	10	20	CDCD	
CO[C@@H]1CCC[C@H]1NC(=O)NCc1ccc(N)cc1	1338610061	MUQAIJPIJGAAFU-CHWSQXEVSA-N	263.341	1.636	10	20	CDCD	
Nc1ccc(CCNC(=O)c2ccc3c(c2)CNCC3)cc1	1349361589	CFEPDWWYNHPVEF-UHFFFAOYSA-N	295.386	1.887	10	20	CDCD	
COC[C@@H]1CN(Cc2ccc(N)cc2)C[C@H](C)O1	1262488097	QKTNHQDIVUHUAM-FZMZJTMJSA-N	250.342	1.505	10	20	CDCD	
COc1ccc(O)c([C@H](C)NCCOCCN(C)C)c1	219324413	FDHMHDIYFVTDIG-LBPRGKRZSA-N	282.384	1.630	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NC[C@@H]2CCCCN2C)c1	1358405684	BJOQRYRUJYRCMV-AWEZNQCLSA-N	291.395	1.984	10	20	CDCD	
CN1CCCC[C@@H]1C(=O)NCc1cccc(O)c1O	1520509245	SFEWXRPYLBSUBI-LLVKDONJSA-N	264.325	1.198	10	20	CDCD	
CN(C)CC(=O)NCc1ccc2c(c1)CCCN2C	169810593	NINTXKJVXRVLJW-UHFFFAOYSA-N	261.369	1.247	10	20	CDCD	
Cc1ccc(CN[C@@H](CO)C[C@H]2CCCO2)c(O)c1	895749393	QSKIHHPCBGPFBR-ZIAGYGMSSA-N	265.353	1.720	10	20	CDCD	
COC[C@@H]1CN(Cc2cccc(Cl)c2O)CCO1	180327871	JRQPAXNZCIZFJU-NSHDSACASA-N	271.744	1.893	10	20	CDCD	
CCN(C)C(=O)[C@@H](C)N[C@H]1CCc2cccc(O)c21	296243940	AXIHOWWINNCHOU-PWSUYJOCSA-N	262.353	1.836	10	20	CDCD	
O=C1CC[C@@H]2CN(Cc3cc(F)cc(F)c3O)CCN12	708421748	IAVYVYPZQIPECV-LLVKDONJSA-N	282.290	1.477	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC[C@H]2CCN2C)c1	712537520	ZRHPNNVVZXMBRC-WDEREUQCSA-N	250.342	1.756	10	20	CDCD	
COc1ccc(N2CC[C@@H](CNC(=O)N(C)C)C2)cc1	62575057	GIJVMXBFMSBRMG-LBPRGKRZSA-N	277.368	1.793	10	20	CDCD	
CN(C)c1ccc(CNS(=O)(=O)C[C@@H]2CCOC2)cc1	171670701	PPZMALXJLAEPJS-CYBMUJFWSA-N	298.408	1.209	10	20	CDCD	
CC[C@H](C(=O)NCc1ccc(O)c(O)c1)N1CCCC1=O	182547850	XDEVRQLXISGTAH-LLVKDONJSA-N	292.335	1.115	10	20	CDCD	
COCC[C@@](C)(O)CNCc1cccc(Cl)c1O	182210999	GYRTZDZITBJFIS-CYBMUJFWSA-N	273.760	1.923	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC[C@H](O)COC(C)C)c1	182362518	OQDIAKRQDPBGIU-RYUDHWBXSA-N	283.368	1.837	10	20	CDCD	
O=C(CSc1nccs1)NC(=O)NCC(F)(F)F	48875301	KQJADWJXHMVDEI-UHFFFAOYSA-N	299.299	1.623	10	20	CDCD	
CC(C)[C@H](N)C(=O)NCc1ccc(N(C)C)c(F)c1	236762737	ODRLWWYQSSLBCY-ZDUSSCGKSA-N	267.348	1.491	10	20	CDCD	
CCCNC(=O)CCC(=O)NCc1ccccc1O	264656326	HDVLPYDJXJOHMV-UHFFFAOYSA-N	264.325	1.315	10	20	CDCD	
COc1cccc(CNC(=O)[C@H]2CSCCS2)c1O	267523889	QXYAKPQBIYBTDE-LLVKDONJSA-N	299.417	1.866	10	20	CDCD	
CCO[C@@H]1C[C@@H](NC(=O)NCc2ccccc2O)[C@H]1OC	274953341	QFAOPAKWSIOKBS-MRVWCRGKSA-N	294.351	1.384	10	20	CDCD	
CS(=O)(=O)C[C@H]1CCN(Cc2ccccc2O)C1	368352076	NZXLNCLZQYEXGR-NSHDSACASA-N	269.366	1.259	10	20	CDCD	
CC[C@H](C)NC(=O)CCNC(=O)c1c(F)ccc(O)c1O	276618929	QMHIFKGSDFMQOB-QMMMGPOBSA-N	298.314	1.272	10	20	CDCD	
C[C@@H]1CC(=O)CC[C@H]1C(=O)NCc1ccc(O)c(O)c1	272387112	WZPIYXVZIOHISR-BXKDBHETSA-N	277.320	1.719	10	20	CDCD	
CC(C)NC(=O)CCN[C@@H](C)c1cc([N+](=O)[O-])ccc1O	273377073	HNEREYHUISRALW-JTQLQIEISA-N	295.339	1.866	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)[C@@H]1CSCCS1	270571194	YZKCBLGSQWVZEF-LBPRGKRZSA-N	299.417	1.605	10	20	CDCD	
Cc1ccc(C(=O)N2CC[C@@](O)(C3CC3)C2)c(O)c1O	373344054	LRBKRIDLAYGUQG-HNNXBMFYSA-N	277.320	1.393	10	20	CDCD	
C[C@@H]1C[C@@H](C)[C@H](C(=O)NCc2ccc(O)c(O)c2)O1	282312809	HCPRNYSIRUZEQU-JRKPZEMJSA-N	265.309	1.528	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N[C@H](CO)CC1CCC1	280367558	YQEKALYIRGTIAT-IYNGYCSASA-N	291.347	1.778	10	20	CDCD	
CC(C)[C@@H](NC(=O)c1cccc(O)c1O)c1nncn1C	286405024	LJQDSFFDGVBEMQ-LLVKDONJSA-N	290.323	1.353	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H]1C[C@@H]1OCC	808095200	VRARCIQRYTUSAY-PWSUYJOCSA-N	284.352	1.919	10	20	CDCD	
Cn1[nH]cc2c(=NC(=O)NCc3ccccc3O)ccnc1-2	806485258	PGPCRIUYZTUBSS-UHFFFAOYSA-N	297.318	1.369	10	20	CDCD	
CC[C@@H](Sc1ncc(C(=O)OC)s1)C(N)=O	295438485	ZUHNWFCACRLSSJ-RXMQYKEDSA-N	260.340	1.286	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)c2cncn2C)c1	809666397	YCYUKOZFZWLEIV-VIFPVBQESA-N	275.308	1.625	10	20	CDCD	
CC(=O)c1cc(F)cc(CN[C@@H](C(=O)O)C(C)C)c1O	819797074	WJWDZPRGXJWTAI-GFCCVEGCSA-N	283.299	1.933	10	20	CDCD	
COC1([C@H](C)NC(=O)c2cccc(O)c2O)CCOCC1	817703311	OGPZMBBPJCROPW-JTQLQIEISA-N	295.335	1.412	10	20	CDCD	
Cc1ccc([C@H](C)NC[C@H]2CNCCO2)c(O)c1C	817983604	OOFIKZGLGXPUEF-QWHCGFSZSA-N	264.369	1.648	10	20	CDCD	
C[C@H](NC[C@H]1CNCCO1)c1cc(F)ccc1O	817984170	VRSXNSNVKIMKKC-GXSJLCMTSA-N	254.305	1.170	10	20	CDCD	
C[C@H](NCC1(CC(N)=O)CC1)c1cc([N+](=O)[O-])ccc1O	817584933	BCZQOGZWQBTYEA-VIFPVBQESA-N	293.323	1.607	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)c2cc(C)n(C)n2)c1	728981825	FIEZWLPGOLWIEB-JTQLQIEISA-N	289.335	1.934	10	20	CDCD	
C[C@@H](NC(=O)[C@H]1C[C@@]12CCOC2)c1ccccc1O	827941780	YBDJNOFKBIYOEJ-IXPVHAAZSA-N	261.321	1.996	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCNC1=O	824240175	FTIKZAQZXOQCNP-CQSZACIVSA-N	289.379	1.237	10	20	CDCD	
C[C@H]1C[C@@H](NCCCON)c2c(O)ccc(F)c21	902422960	HMVOXYALIQZNKG-WCBMZHEXSA-N	254.305	1.950	10	20	CDCD	
Oc1cc2c(cc1CNC[C@@H]1CCCO1)OCO2	42879346	QBLXLPQUIUZZRK-JTQLQIEISA-N	251.282	1.390	10	20	CDCD	
C[C@]1(CN[C@H]2CCc3cccc(O)c32)CCC(=O)N1	834907711	AJOLTMVIWJCHJA-XHDPSFHLSA-N	260.337	1.638	10	20	CDCD	
CC[C@@H](O)[C@@H](C)C(=O)NCc1ccc(O)c(O)c1	901130615	DORVROBXHYXFOS-PSASIEDQSA-N	253.298	1.121	10	20	CDCD	
CC[C@@H](C)NC(=O)COC(=O)c1cc(O)cs1	732353023	BLFQXJPOVLFQCL-SSDOTTSWSA-N	257.311	1.525	10	20	CDCD	
CC[C@@](C)(NC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)O	833639129	ZBRAHPUYJDHJQQ-HZRUHFOJSA-N	279.292	1.481	10	20	CDCD	
CC(=O)OCC(C)(C)CC(=O)NCc1ccc(O)cc1O	910950637	ZEGZGKTVLUJBEN-UHFFFAOYSA-N	295.335	1.693	10	20	CDCD	
C[C@@H]1O[C@H](C)[C@H](C(=O)NCc2ccc(O)cc2O)[C@@H]1C	910954905	AJXZDJQTQJVOMD-QOBXEIRBSA-N	279.336	1.774	10	20	CDCD	
Cc1cc(O)c(CN[C@H]2CCCS(=O)(=O)C2)cc1C	747811061	JUJHUBKYKNSLHY-ZDUSSCGKSA-N	283.393	1.676	10	20	CDCD	
Cc1nnc(CC(=O)NCc2ccc(O)cc2O)s1	910943425	CEHYYOPZCHNQDX-UHFFFAOYSA-N	279.321	1.117	10	20	CDCD	
CCc1cccc(CN2CCO[C@H](CC(=O)OC)C2)c1O	848887352	UKLZPJOBDKOMMG-CQSZACIVSA-N	293.363	1.719	10	20	CDCD	
C[C@H](NC[C@H](O)CN(C)C)c1ccc(Cl)cc1O	841765273	WYTLMGVPBKQZRF-ONGXEEELSA-N	272.776	1.619	10	20	CDCD	
C[C@@]1(NC(=O)NCCc2ccc(N)cc2)CCOC1	841960465	RHJJMBHDDVCPOO-CQSZACIVSA-N	263.341	1.290	10	20	CDCD	
COC(=O)[C@@H]1CNCCCN1Cc1ccc(N(C)C)cc1	843123171	IOYUNSHWNQWONE-HNNXBMFYSA-N	291.395	1.090	10	20	CDCD	
CN[C@H]1CCN(Cc2ccc(N3CCN(C)CC3)cc2)C1	843044763	IKVOANBIJUWPRF-INIZCTEOSA-N	288.439	1.232	10	20	CDCD	
C[C@@]1(CNC(=O)NCCc2ccc(N)cc2)CCCO1	841852321	ABVPFKUVAWMJAJ-HNNXBMFYSA-N	277.368	1.680	10	20	CDCD	
C[C@@H](CN)N(C)C(=O)NCc1ccc(N2CC=CC2)cc1	841831939	HVNYJYBWCBLNQE-ZDUSSCGKSA-N	288.395	1.551	10	20	CDCD	
CC[C@@H](Cc1cn(-c2ccc(N)cc2)nn1)C(=O)OC	849134832	RNTQLPPDJOBPSG-JTQLQIEISA-N	274.324	1.591	10	20	CDCD	
CCC[C@H](CNC(=O)NCCc1ccc(N)cc1)OC	841907044	IIWAWYXCUYIBKG-CQSZACIVSA-N	279.384	1.926	10	20	CDCD	
COc1cccc(CNC2(CO)CCCC2)c1O	53044614	LUFZIHIHGRASQZ-UHFFFAOYSA-N	251.326	1.796	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@H]1CCOC1	754674232	DPBSBMUPQVXSAS-CMPLNLGQSA-N	279.336	1.572	10	20	CDCD	
C[C@@H](N[C@@H]1CCOC1)c1cc([N+](=O)[O-])ccc1O	756770823	XMJLQOFYOWYACO-RKDXNWHRSA-N	252.270	1.740	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)Cc2cnn(C)c2C)c1	862756414	XPUIMBNHEBJKMQ-UHFFFAOYSA-N	273.336	1.601	10	20	CDCD	
CCOc1ccc(CN2CCNC(=O)[C@H]2CC)c(O)c1	769319840	AAZPBWVCFOMRCI-CYBMUJFWSA-N	278.352	1.501	10	20	CDCD	
COc1cc(O)c(CN[C@H]2C[C@H](OC)C2)cc1OC	862541111	PYWPIIZOKUQPTN-XYPYZODXSA-N	267.325	1.676	10	20	CDCD	
COc1cc(O)c(CNCCc2ccn(C)n2)cc1OC	761225881	JOGTVZHEEUETSZ-UHFFFAOYSA-N	291.351	1.475	10	20	CDCD	
CCCn1nccc1NC(=O)CN(C)c1ccc(N)cc1	866668791	VZRVZGMVFVZYMS-UHFFFAOYSA-N	287.367	1.950	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NCC(=O)NCC(C)C)c1	1118803932	SENZOXZTLYKJBN-UHFFFAOYSA-N	293.367	1.272	10	20	CDCD	
COc1ccc(CN[C@@H](C)CCO)cc1Cn1cccn1	873057471	SCLXSGULRRFDFX-ZDUSSCGKSA-N	289.379	1.801	10	20	CDCD	
Cc1noc(CCCC(=O)N(C)c2ccc(N)cc2)n1	877078495	RKKOGFBWNSZDQE-UHFFFAOYSA-N	274.324	1.946	10	20	CDCD	
COC[C@H](C)NC(=O)/C=C\c1ccc(O)c(O)c1	779473724	YXFLRNVPQPVDCL-RNEXMXFGSA-N	251.282	1.262	10	20	CDCD	
CCN(C)c1ccc(CN2C[C@H](C)O[C@H](CO)C2)cc1	773888634	LBCIUAMDEFJBCN-BBRMVZONSA-N	278.396	1.724	10	20	CDCD	
Cc1cccc(O)c1CN1CCN(C[C@H]2CCOC2)CC1	876784421	FDBLMDIIDMDNCO-OAHLLOKOSA-N	290.407	1.855	10	20	CDCD	
C[C@H]1CC[C@@H](NC(=O)C(=O)N(C)Cc2ccccc2O)C1	1119547459	NOZHFBCMGLPKHZ-WCQYABFASA-N	290.363	1.655	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@]1(C)CCOC1	773769203	QVYSZWBAJBNADT-BONVTDFDSA-N	279.336	1.572	10	20	CDCD	
CCO[C@@H](CC)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	773739848	FJXSUIUNGYDURB-YGRLFVJLSA-N	281.352	1.960	10	20	CDCD	
Cc1ccc(C(=O)NC[C@]2(C)CCOC2)c(O)c1O	780939312	PXTIWAHQMHZDEV-AWEZNQCLSA-N	265.309	1.563	10	20	CDCD	
CC(=O)N1CC(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1	788246090	FBDGOACDKVFYJA-NSHDSACASA-N	289.379	1.408	10	20	CDCD	
COc1cc(C)cc(CN2CCNC(=O)[C@@H]2C(C)C)c1O	894001623	KIFHGCMDYFPHNU-AWEZNQCLSA-N	292.379	1.666	10	20	CDCD	
CC[C@H](NC[C@H](O)CN(C)C)c1ccc(F)cc1O	796754277	JBSLMPVADXMKAL-AAEUAGOBSA-N	270.348	1.495	10	20	CDCD	
CCOCCOC[C@@H](O)CNCc1cccc(C)c1O	792197159	YPZXESZFFCSAED-AWEZNQCLSA-N	283.368	1.204	10	20	CDCD	
CCOC(=O)[C@H](NCc1cc(F)ccc1O)C1CC1	1326218807	IVNFLQUJJWTHNF-CYBMUJFWSA-N	267.300	1.963	10	20	CDCD	
CCC(CC)(CO)CNC(=O)NCc1ccc(N)cc1	1338794035	WXLFBXSEYNIUKX-UHFFFAOYSA-N	279.384	1.867	10	20	CDCD	
CCN(CC)c1ccc(CNC[C@@H](O)C(=O)O)cc1	1332031427	CREDECBJGMUDMP-CYBMUJFWSA-N	266.341	1.068	10	20	CDCD	
O=C(O)CCNC(=O)NCc1cc(Cl)ccc1O	1341369030	REEWOLRVSROOFP-UHFFFAOYSA-N	272.688	1.320	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2cnn3c2NCCC3)cc1	1348603132	JHJOBBUAJVRVAJ-UHFFFAOYSA-N	299.378	1.695	10	20	CDCD	
CCO[C@H]1C[C@@](N)(C(=O)NCc2ccc(N)cc2)C1(C)C	1263303546	ACMXVNCVGDJXQZ-XJKSGUPXSA-N	291.395	1.418	10	20	CDCD	
CCCN(CC(=O)O)Cc1ccc(F)c(F)c1O	1589669599	CYGJAYUFKHTUGD-UHFFFAOYSA-N	259.252	1.967	10	20	CDCD	
Cc1cc(C(=O)N(C)CC(=O)O)c(C)n1-c1ccccn1	153141292	DAJVJJJOVVWNJV-UHFFFAOYSA-N	287.319	1.646	10	20	CDCD	
COc1cc(Cl)cc(CN[C@@]2(CO)CCOC2)c1O	184745479	HJVSYBRYHMPIBE-CYBMUJFWSA-N	287.743	1.295	10	20	CDCD	
CN(C)C[C@H]1CCN(C(=O)c2cccc(O)c2O)C1	189563254	PIZRJKKKZUQRHE-SNVBAGLBSA-N	264.325	1.122	10	20	CDCD	
O=S1(=O)CCCC[C@@H]1CNCc1ccccc1O	694592636	ZTLCXOYKHXYDSE-GFCCVEGCSA-N	269.366	1.449	10	20	CDCD	
COc1ccc(N2CCN(CC(=O)NC(C)C)CC2)cc1	58126839	KVBYQNBISJOMCR-UHFFFAOYSA-N	291.395	1.342	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)c2ccnn2C)c1	103529121	FFECHXSRWRUTEW-VIFPVBQESA-N	275.308	1.625	10	20	CDCD	
CC(C)S(=O)(=O)CCN[C@H](C)c1ccccc1O	311001028	XROPUHRJIOTBBQ-LLVKDONJSA-N	271.382	1.866	10	20	CDCD	
COC(=O)C[C@@H]1CN(Cc2ccccc2O)CCO1	179576330	WVQWXDLSQYHHCW-GFCCVEGCSA-N	265.309	1.156	10	20	CDCD	
COc1ccc(O)c(CNC(=O)NC[C@@H](C)SC)c1	126875358	MYBGBRGLEQHXKP-SECBINFHSA-N	284.381	1.952	10	20	CDCD	
CC(C)COC[C@H](O)CN(C)c1ccc2c(c1)OCO2	121253343	XCDSJVYSWVCOFZ-CYBMUJFWSA-N	281.352	1.885	10	20	CDCD	
CC(C)[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)O	223932688	FYYRTNDEDHNLLP-DIECRNLCSA-N	279.292	1.336	10	20	CDCD	
Cc1cc(O)c(CN[C@@H]2C(=O)NCC[C@@H]2C)cc1C	193674555	LVPQLTGFFHQNIK-XPTSAGLGSA-N	262.353	1.623	10	20	CDCD	
Cc1ccc(O)c(CNCCN2CCSCC2)c1	226648503	IMLXRZGMPUPJQV-UHFFFAOYSA-N	266.410	1.839	10	20	CDCD	
COc1ccc(O)c(CN2CC[C@@]3(CCNC3)C2)c1	382171774	JWCONTIIDRVWLL-OAHLLOKOSA-N	262.353	1.586	10	20	CDCD	
C[C@H](N)[C@H](C)C(=O)NCc1ccc(N(C)C)c(F)c1	192104481	QVRAKNGTBIMOJF-UWVGGRQHSA-N	267.348	1.491	10	20	CDCD	
COc1ccc(O)c(CN(CCO)CC(F)F)c1	193027777	BNSZNVHXLWAKPW-UHFFFAOYSA-N	261.268	1.460	10	20	CDCD	
C[C@@H]1CN(Cc2ccccc2O)CCS(=O)(=O)C1	192067870	YJXMQRMFDFNYDQ-LLVKDONJSA-N	269.366	1.259	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1ncc[nH]1	611656861	GJDOXNFFCGRGOG-UHFFFAOYSA-N	272.308	1.515	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)NC[C@@H](C)CCO)c1	273575654	LQZKXPYFLBJXHT-QWRGUYRKSA-N	281.352	1.848	10	20	CDCD	
CCOCC[C@H](O)CN(C)Cc1ccccc1O	277820495	VOAAHRLDJZSJGP-ZDUSSCGKSA-N	253.342	1.612	10	20	CDCD	
COC[C@@H](NCc1cc2c(cc1O)OCO2)[C@@H]1CCCO1	278784943	ZQBGMNAXIKVBSP-YPMHNXCESA-N	295.335	1.405	10	20	CDCD	
CCCCN(Cc1ccccc1O)C(=O)[C@H](C)NC(N)=O	282553675	STKHJYPNFWXKJR-NSHDSACASA-N	293.367	1.578	10	20	CDCD	
C[C@@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)CN(C)C	293714987	JJWRQOIQPWFJPM-ZRQQLDRUSA-N	278.352	1.425	10	20	CDCD	
CC[C@H](CNC(=O)NCc1ccc(N(C)C)cc1)OC	290783114	NFXJLXPOZIAYMH-CQSZACIVSA-N	279.384	1.977	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cnc(C)cn1	808095100	RERVNTVQSLDPMK-UHFFFAOYSA-N	292.335	1.906	10	20	CDCD	
COCCNCCN[C@@H](C)c1cc(F)ccc1O	817965010	MQQSOIVTNBFVKQ-JTQLQIEISA-N	256.321	1.418	10	20	CDCD	
C[C@@H](NCC(F)(F)CN)c1ccc(N(C)C)cc1	817966580	QIYBECPAULVAQJ-SNVBAGLBSA-N	257.328	1.997	10	20	CDCD	
O=C1CN(Cc2ccccc2O)C(=O)N1C1CC=CC1	819167614	FXBSBJNLDVEZGF-UHFFFAOYSA-N	272.304	1.875	10	20	CDCD	
Cc1cc(C)c([C@H](C)NC[C@H]2CNCCO2)c(O)c1	817982527	DUHKMIMRXAONCC-QWHCGFSZSA-N	264.369	1.648	10	20	CDCD	
CC[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)C(C)(C)O	818584735	WNXWUBHMWHKIML-FWPCIQOSSA-N	279.336	1.777	10	20	CDCD	
C[C@H](N)CC(=O)NCc1ccc2c(c1)CCCN2C	827913943	TWTCAFCVQISYJN-NSHDSACASA-N	261.369	1.423	10	20	CDCD	
CN(C)c1ccc(CN[C@]2(CC(=O)O)CCOC2)cc1F	901835618	MQAYWJDQNKHPSB-HNNXBMFYSA-N	296.342	1.615	10	20	CDCD	
C[C@H](CC(N)=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	903448533	PKJHGGXHQCYKNP-DOMZBBRYSA-N	292.427	1.209	10	20	CDCD	
O=C(Nc1nc(-c2ccccn2)n[nH]1)c1cc(O)cs1	732272412	SCQJBXUHHCWTPX-UHFFFAOYSA-N	287.304	1.886	10	20	CDCD	
CN(C)[C@@H]1CCCN(C(=O)c2cc(O)cs2)C1	732284125	JHSRMFHQHJBQBS-SECBINFHSA-N	254.355	1.620	10	20	CDCD	
Cc1cc(NC(=O)[C@H](C)OC(=O)c2cc(O)cs2)on1	731911981	PEYBILFFZGQWKP-ZETCQYMHSA-N	296.304	1.934	10	20	CDCD	
Cc1[nH]c(C(=O)O)c(C)c1C(=O)NCc1ccccc1O	832845742	MDXVXRMKSZHILF-UHFFFAOYSA-N	288.303	1.965	10	20	CDCD	
Cc1noc(C)c1CC(=O)NCc1ccc(O)cc1O	910958432	UPAARNJJDDZQGY-UHFFFAOYSA-N	276.292	1.562	10	20	CDCD	
COC[C@@]1(CO)CCN(Cc2ccc(N(C)C)cc2C)C1	840951940	OEEVUFDYLSICPK-KRWDZBQOSA-N	292.423	1.892	10	20	CDCD	
CC(=O)c1cc(F)cc(CN[C@H](C)[C@H](C)C(=O)O)c1O	846228867	RSDPALRJPRWODM-JGVFFNPUSA-N	283.299	1.933	10	20	CDCD	
COc1cccc([C@H](C)N[C@@H]2CCCN(C)C2=O)c1O	846145091	KHADGFDDTNDEBY-CMPLNLGQSA-N	278.352	1.672	10	20	CDCD	
CCN(C)C(=O)[C@@H](C)N[C@H](C)c1cccc(OC)c1O	846167292	WNAGHVYNXYHMAV-GHMZBOCLSA-N	280.368	1.918	10	20	CDCD	
COCn1ccc(C(=O)NCc2ccc(OC)cc2O)n1	846950618	PWTSWWNYALPWJG-UHFFFAOYSA-N	291.307	1.131	10	20	CDCD	
COc1cccc([C@@H](C)N[C@H](C)c2nncn2C)c1O	846148334	ZRESAWRHUPLLIJ-NXEZZACHSA-N	276.340	1.941	10	20	CDCD	
C[C@@H](CCO)N(C)CC(=O)NCc1ccc(N(C)C)cc1	844445314	BCPUMACQLHIQLK-ZDUSSCGKSA-N	293.411	1.072	10	20	CDCD	
COc1ccc(O)c(CN2CCC[C@H](CO)[C@@H]2C)c1	840977850	KLSNYKGFOHXXBF-NWDGAFQWSA-N	265.353	1.994	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N[C@@H]2CC[C@H](CN)C2)cc1	841655221	QWLPZMYPBUETSV-UONOGXRCSA-N	290.411	1.679	10	20	CDCD	
C[C@H](O)CN(Cc1ccc(N2CCOCC2)cc1)C1CC1	848928204	AUICNNMOPDORPA-AWEZNQCLSA-N	290.407	1.868	10	20	CDCD	
CN1CC[C@H]1CNCc1ccc(N2CCOCC2)c(F)c1	922576127	UNRIBKRVKMABEN-AWEZNQCLSA-N	293.386	1.456	10	20	CDCD	
Nc1ccc(CN2CCC[C@@H]2C(=O)NC2CC2)cc1	1337834094	MUSGKVOSFLICOQ-CQSZACIVSA-N	259.353	1.512	10	20	CDCD	
CCN1CCN(Cc2c(O)cccc2OC)CC1=O	758016567	XYPJPXNXOILZQN-UHFFFAOYSA-N	264.325	1.065	10	20	CDCD	
CC[C@@H]1C(=O)N(CC)CCN1C(=O)Cc1ccc(N)cc1	852907696	OQXFRXXRCNFOPF-CQSZACIVSA-N	289.379	1.281	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@H]2C[C@H](OC)C2)c1O	862541202	QNIRQXQZCINZFI-MGCOHNPYSA-N	282.296	1.576	10	20	CDCD	
COCCOCCC(=O)NCc1cc(C)ccc1O	862758690	HLHVVBSDRZGSJT-UHFFFAOYSA-N	267.325	1.370	10	20	CDCD	
C[C@@H](C(=O)Nc1c(Cl)ccc2nonc12)n1cncn1	1117546724	BZKVNBCNQLDXID-LURJTMIESA-N	292.686	1.667	10	20	CDCD	
Cc1ccc(CNc2cnn(CC(=O)N(C)C)c2)c(O)c1	877169269	AQDUKCCODSWWHE-UHFFFAOYSA-N	288.351	1.597	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@]1(N)CC1(F)F	870868118	VKSAVBCFDUZSLC-LLVKDONJSA-N	256.252	1.087	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2cccc(O)c2O)c1	776351000	VZVIVLFCHDVUML-UHFFFAOYSA-N	289.287	1.742	10	20	CDCD	
Cc1cccc(O)c1CN1CC[C@@H](C)C[C@H]1C(N)=O	877436944	PKDNPAGOCSXKPT-MFKMUULPSA-N	262.353	1.786	10	20	CDCD	
CO[C@H]1COCC[C@H]1CNCc1c(C)cccc1O	877563334	JNUSBHMXKXWREA-WFASDCNBSA-N	265.353	1.842	10	20	CDCD	
Cc1nccc(NC(=O)NCc2ccccc2O)n1	776496564	DJBOPAZIGYMGMV-UHFFFAOYSA-N	258.281	1.812	10	20	CDCD	
Oc1ccccc1CNc1cncc(-n2cncn2)n1	774524436	TUIMBRUEUOUPJW-UHFFFAOYSA-N	268.280	1.375	10	20	CDCD	
CCOc1ccc(CN2CCN(C)C(=O)[C@@H]2C)c(O)c1	779200070	SSVUSHORVATEHW-NSHDSACASA-N	278.352	1.453	10	20	CDCD	
C[C@H](NCC(=O)NCC(F)(F)F)c1c(O)cccc1F	886514509	RGEZADRXNSGSLR-ZETCQYMHSA-N	294.248	1.860	10	20	CDCD	
C[C@@H](N[C@@H]1CCOC[C@H]1O)c1c(O)cccc1F	886649772	INVDQAJJKPNEDO-HLUHBDAQSA-N	255.289	1.332	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@@H]2CCCN2C2CC2)c1	787450431	RRDOCHOQBFECIC-AWEZNQCLSA-N	290.363	1.644	10	20	CDCD	
COC(=O)C(C)(C)N(C)C(=O)c1ccc(C)c(O)c1O	780928718	QXMKNBFPEUOPOQ-UHFFFAOYSA-N	281.308	1.430	10	20	CDCD	
CCNC(=O)CC(=O)NCc1ccc(N2CCCC2)cc1	780887998	KAULGJNGCPMLNF-UHFFFAOYSA-N	289.379	1.429	10	20	CDCD	
Cc1ncsc1C(=O)OCC(=O)c1ccc(O)c(O)c1	782931423	CCTWWWFJGVNROK-UHFFFAOYSA-N	293.300	1.902	10	20	CDCD	
C[C@@H](NC[C@H]1COCCO1)c1cc(F)ccc1O	94617778	BDASQGKJRDNOHA-KOLCDFICSA-N	255.289	1.597	10	20	CDCD	
C[C@H]1[C@@H](C)N(C)C(=O)[C@@H](C)N1Cc1ccccc1O	895923325	WQDSXNUJGWGSAD-GRYCIOLGSA-N	262.353	1.832	10	20	CDCD	
CCOc1ccc(CNC[C@@]2(O)CCO[C@H]2C)c(O)c1	788532973	BFWXJCPDVFSVGC-NHYWBVRUSA-N	281.352	1.420	10	20	CDCD	
COc1cc(C)cc(CNCCNC(=O)C(C)C)c1O	894148515	ZHAIZSLMORVTST-UHFFFAOYSA-N	280.368	1.571	10	20	CDCD	
COC[C@@H](NCc1c(O)ccc(Cl)c1F)C(=O)OC	792178444	DROKUBDKECFFGM-SECBINFHSA-N	291.706	1.462	10	20	CDCD	
COc1ccc(CNCC(=O)O)cc1Cn1cccn1	1329687528	AEIVMZRWMHLDRN-UHFFFAOYSA-N	275.308	1.114	10	20	CDCD	
O=C(C[C@@H]1COC(=O)C1)Nc1c(Cl)ccc2nonc12	1324141981	SJEMMKLKENBIOF-LURJTMIESA-N	295.682	1.768	10	20	CDCD	
Nc1ccc(CC(=O)N2CC[C@H]3[C@H](C2)C3(F)F)cc1	1580443073	OQMIDGKUSKJBTR-RYUDHWBXSA-N	266.291	1.925	10	20	CDCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2N[C@@H]1COC[C@@H]1O	1329375121	JENYJBAVVXDNEL-KQXIARHKSA-N	263.337	1.598	10	20	CDCD	
CCCN(C(=O)C(=O)NCCc1ccc(N)cc1)C1CC1	1327544560	IWYHBAFKLVNDIW-UHFFFAOYSA-N	289.379	1.329	10	20	CDCD	
CC(C)[C@H](N)CCN(C)C(=O)NCc1ccc(N)cc1	1337070840	XVSXOQNDURETPY-CQSZACIVSA-N	278.400	1.784	10	20	CDCD	
O=C(O)[C@@]1(C(=O)NCc2cccc(O)c2O)CC=CCC1	1605930013	QLKBEZAPDSNVAM-HNNXBMFYSA-N	291.303	1.525	10	20	CDCD	
C[C@@H](NC[C@@H]1CNCCCO1)c1cc(C(=O)O)ccc1O	1604338463	OKXNQVKLCZSEEH-PWSUYJOCSA-N	294.351	1.120	10	20	CDCD	
CCc1nn(C)cc1C(=O)NCc1ccc(N)cc1	227544516	LICITLYEEGPUEX-UHFFFAOYSA-N	258.325	1.495	10	20	CDCD	
C[C@@H](Sc1ncc(C(=O)O)s1)c1nnnn1C	1593678762	ZJKCMRFORKTXFD-SCSAIBSYSA-N	271.327	1.218	10	20	CDCD	
CC[C@@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1O)C(=O)O	1593607313	XIWOHWHGGKZKOZ-OIBJUYFYSA-N	268.269	1.814	10	20	CDCD	
COc1cccc(O)c1CN1CC[C@@H](C)[C@H](CN)C1	841100267	AEBCGSXZAGFICV-VXGBXAGGSA-N	264.369	1.818	10	20	CDCD	
COc1cccc(O)c1CN1CC[C@@H](C)[C@@H](CN)C1	841100264	AEBCGSXZAGFICV-NEPJUHHUSA-N	264.369	1.818	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NCCN2CCOCC2)c1	19954539	USDOLXHUSBDGBE-GFCCVEGCSA-N	280.368	1.384	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CC[C@@H](O)[C@H](C)C2)c1O	249146475	UPCIOPBHEKNMAY-YMTOWFKASA-N	281.327	1.937	10	20	CDCD	
COCCNCc1ccc(N2CCN(C)CC2)cc1	62734227	JSYSRIJVZSQEJC-UHFFFAOYSA-N	263.385	1.174	10	20	CDCD	
COc1cccc(CN[C@H](CO)C[C@H]2CCCO2)c1O	886228992	JERBQJNHKNTBGZ-QWHCGFSZSA-N	281.352	1.420	10	20	CDCD	
Oc1cc2c(cc1CN1CCC[C@H](O)C1)OCO2	7011659	LYQDAXMUUFVWTA-JTQLQIEISA-N	251.282	1.078	10	20	CDCD	
O=C(N[C@H]1CCC[C@H]1CCO)c1cccc(O)c1O	280422242	ITFAAFQHQRBXIZ-ONGXEEELSA-N	265.309	1.379	10	20	CDCD	
O=S1(=O)CC[C@H](CNCc2cccc(Cl)c2O)C1	124683283	MELKZVBDSMNTSW-SECBINFHSA-N	289.784	1.570	10	20	CDCD	
COC(=O)[C@H]1[C@H](O)CCCN1Cc1cc(F)ccc1O	188787863	YPGUNYQQPGBQBA-CHWSQXEVSA-N	283.299	1.030	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)NC1CC1	180749391	NVNFREXUCRHFNZ-UHFFFAOYSA-N	261.325	1.823	10	20	CDCD	
COc1cc(Cl)cc(CN2CCNC(=O)C2(C)C)c1O	184688688	HSSWCOJKODALND-UHFFFAOYSA-N	298.770	1.765	10	20	CDCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)NCC2CCC2)c1	49289182	PNYYGKKMYXJPKY-UHFFFAOYSA-N	298.364	1.294	10	20	CDCD	
CNS(=O)(=O)CCN[C@H](C)c1cc(Cl)ccc1O	187175533	FXJXIKFEDOAVRF-MRVPVSSYSA-N	292.788	1.245	10	20	CDCD	
C[C@@H](O)CN(C)Cc1cccc(Br)c1O	130703991	KLIPXDMBQCUUBE-MRVPVSSYSA-N	274.158	1.967	10	20	CDCD	
CCN(C)c1ccc([C@H](C)NC[C@@H](O)COC)cc1	268895042	KKCACAYBZCHPGX-SWLSCSKDSA-N	266.385	1.801	10	20	CDCD	
CN(C)c1ccc(CNC[C@]2(O)CCSC2)cc1F	266996905	BUVSZEBZNLZIID-CQSZACIVSA-N	284.400	1.849	10	20	CDCD	
NC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1ccccc1O	368975405	RAYGUIVNLZQVMN-OSMZGAPFSA-N	260.337	1.478	10	20	CDCD	
COC(=O)[C@H](NCc1cccc(OC)c1O)C1CC1	276547289	YQBRJGOORSKSCF-GFCCVEGCSA-N	265.309	1.442	10	20	CDCD	
C[C@H]1CC(=O)CC[C@H]1C(=O)NCc1ccc(O)c(O)c1	272387126	WZPIYXVZIOHISR-JOYOIKCWSA-N	277.320	1.719	10	20	CDCD	
CN(C)c1ccc(CN2CCOC[C@@]23CCOC3)cc1F	282265211	KDVDEEIRYWWBBI-INIZCTEOSA-N	294.370	1.883	10	20	CDCD	
C[C@H](N[C@H](C)C(=O)NCCF)c1cc([N+](=O)[O-])ccc1O	282862927	UUQFQUXTZLIHBW-DTWKUNHWSA-N	299.302	1.425	10	20	CDCD	
COC(=O)[C@H]1CN(Cc2cc(OC)ccc2O)C[C@@H](C)O1	282838776	CLRQGEDCNJMOPC-QMTHXVAHSA-N	295.335	1.163	10	20	CDCD	
CCc1ccc(CCC(=O)OCC(=O)C(C)=O)cc1	808490587	QQHRJFWGOCWLPC-UHFFFAOYSA-N	262.305	1.883	10	20	CDCD	
CC[C@@H](NC[C@H]1CNCCO1)c1ccc(N(C)C)cc1	817982330	CFRUJTMRIBTRSQ-HZPDHXFCSA-N	277.412	1.782	10	20	CDCD	
COC[C@H](C)[C@@H](C)C(=O)NCc1ccccc1O	812489741	BUNQZSZMSUPMCM-WDEREUQCSA-N	251.326	1.927	10	20	CDCD	
COc1ccc(O)c(CNC(=O)CCc2ccn(C)n2)c1	815835052	IZEOBAHMDDLXPS-UHFFFAOYSA-N	289.335	1.383	10	20	CDCD	
CC(C)OCCONC(=O)NCc1ccccc1O	812948958	JXCSKKQQGPBDRG-UHFFFAOYSA-N	268.313	1.548	10	20	CDCD	
CN(C)c1ccc([C@H](N)CN[C@@H]2CCC[C@@H]2N)cc1	817941518	RAZAWKXYSMQBGV-RRFJBIMHSA-N	262.401	1.222	10	20	CDCD	
Cn1nncc1CNCc1ccc2ccccc2c1O	816613040	GRMXRYQPZOTXED-UHFFFAOYSA-N	268.320	1.964	10	20	CDCD	
Cc1cc(O)c(CNC[C@H]2CN(C)CCN2C)cc1Cl	825266886	NNEYESHLZGTSOZ-ZDUSSCGKSA-N	297.830	1.689	10	20	CDCD	
C[C@@H]1NCC[C@@H]1C(=O)NCc1ccc(N(C)C)c(F)c1	827901513	OUYZXCBDIXKRIS-JQWIXIFHSA-N	279.359	1.506	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H](C)[C@H](C)N)c1	828667091	MUWMLNYRALWRCD-GUBZILKMSA-N	266.341	1.561	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)Nc2nc(C)no2)c1	836492623	CLNAVQIERZPIDG-ZETCQYMHSA-N	292.295	1.975	10	20	CDCD	
CCc1noc(NC(=O)NCc2ccc(OC)cc2O)n1	836671711	WYXLPQAAXCBEEJ-UHFFFAOYSA-N	292.295	1.668	10	20	CDCD	
O=C(NCc1ccccc1O)N[C@H]1CC[C@@H](C(=O)O)C1	831073131	ZBKWCSXXUNYVNX-KOLCDFICSA-N	278.308	1.445	10	20	CDCD	
C[C@@H]1CCN(S(=O)(=O)Nc2ccc(O)c(F)c2F)C1	830185148	VPUVJDNJAVHKOW-SSDOTTSWSA-N	292.307	1.669	10	20	CDCD	
C[C@H]1CCN(Cc2cc3c(cc2O)OCO3)C[C@@H]1C(=O)O	843039109	AVDKFNQONWHMMK-ONGXEEELSA-N	293.319	1.664	10	20	CDCD	
CCOc1ccc(O)c(CN2CC[C@H]([C@H](C)N)C2)c1	843057541	JNURRONSTUCQRI-RYUDHWBXSA-N	264.369	1.960	10	20	CDCD	
C[C@H](CC(=O)NCc1ccccc1O)n1ccnc1	845832278	AJEFOBVJRRHIOJ-LLVKDONJSA-N	259.309	1.856	10	20	CDCD	
Cc1ccc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)nn1	840420352	ZRNKZJHSCBAYDX-SNVBAGLBSA-N	287.319	1.557	10	20	CDCD	
COc1cccc([C@@H](C)N[C@@H](C)CN2CCOCC2)c1O	846140146	HKHAOUSXGREETN-QWHCGFSZSA-N	294.395	1.772	10	20	CDCD	
COc1cc(N(C)Cc2ncc[nH]2)c([N+](=O)[O-])cc1OC	757920120	IUMAQZXUKICJNH-UHFFFAOYSA-N	292.295	1.972	10	20	CDCD	
COc1ccc(CNC(=O)CC[C@@H]2CCCNC2)c(O)c1	857005993	HHFZNEGHWSMUPB-LBPRGKRZSA-N	292.379	1.797	10	20	CDCD	
Cc1cc(CN2CCC(=O)N(C)CC2)ccc1N(C)C	852577496	GRKGFQMOEZIESD-UHFFFAOYSA-N	275.396	1.725	10	20	CDCD	
O[C@@H]1COCC[C@H]1NCc1ccc(N2CCCCC2)cc1	858301457	YGTLNCNIFKMMJK-IAGOWNOFSA-N	290.407	1.916	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)Cc2cc(C)[nH]n2)c1	862758244	UDTNYPNQBQCOAT-UHFFFAOYSA-N	259.309	1.591	10	20	CDCD	
Nc1ccc(CC(=O)NC[C@@H](CO)Cc2cccnc2)cc1	1118139353	IFZWXUJBDMOMAW-HNNXBMFYSA-N	299.374	1.174	10	20	CDCD	
Cc1cccc(O)c1CN1CCN(C2CCOCC2)CC1	876761364	VFAOBWXVFOGXJF-UHFFFAOYSA-N	290.407	1.997	10	20	CDCD	
C[C@@H](NC(=O)[C@@H]1COCCO1)c1ccc(N(C)C)cc1	773004783	ARBJEFGJVDHZDE-RISCZKNCSA-N	278.352	1.345	10	20	CDCD	
CC[C@](C)(CCO)NC(=O)NCc1ccc(N)cc1	1120677825	XTASOLKJSMBLIZ-CQSZACIVSA-N	265.357	1.619	10	20	CDCD	
CS/C=C/C(=O)OCC(=O)c1ccc(O)c(O)c1	784213513	URFRIWOJNQLTBV-SNAWJCMRSA-N	268.290	1.700	10	20	CDCD	
Cc1nc2n(n1)C[C@H](NCc1cc(F)cc(F)c1O)CC2	882961421	NCUAMEUXKYQTLD-LLVKDONJSA-N	294.305	1.675	10	20	CDCD	
Cc1nc(CCN[C@@H](C)c2c(O)cccc2F)n[nH]1	886587968	IVNJHJCAIISBBZ-QMMMGPOBSA-N	264.304	1.851	10	20	CDCD	
COC(=O)[C@H]1CCN(C(=O)c2ccc(C)c(O)c2O)[C@H]1C	787506935	SHUFVEOYOGTCSG-UWVGGRQHSA-N	293.319	1.430	10	20	CDCD	
CCOc1ccc(CN2CC(=O)N(CC3CC3)C2)c(O)c1	789777087	USDBMZLISNVWIQ-UHFFFAOYSA-N	290.363	1.803	10	20	CDCD	
COc1ccc(CNC(=O)C[C@@H]2CCCCO2)c(O)c1	794388047	NDDRRMMKMWPQHL-ZDUSSCGKSA-N	279.336	1.976	10	20	CDCD	
C[C@@H](CO)NCc1cc(Br)cc(F)c1O	715712147	JADHDAFNGATVAU-LURJTMIESA-N	278.121	1.764	10	20	CDCD	
COCC[C@@H](NCc1ccc(N(C)C)cc1)C(=O)O	1329632270	KWTTUFAVKKVPBC-CYBMUJFWSA-N	266.341	1.332	10	20	CDCD	
C[C@@H](NC(=O)CCn1cnnn1)c1ccc(N(C)C)cc1	1336048701	XSBMYCFMJKYDJN-LLVKDONJSA-N	288.355	1.007	10	20	CDCD	
CCN1CC[C@@H](Sc2ncc(C(=O)OC)s2)C1=O	1333297659	FZWFAVCWQGBWGN-SSDOTTSWSA-N	286.378	1.643	10	20	CDCD	
Cc1ccc(C(=O)NCc2ccc(C)n2C)c(O)c1O	1335985419	FHYNIXNZEMXBCN-UHFFFAOYSA-N	274.320	1.983	10	20	CDCD	
COc1ccc(CNC(=O)N[C@H]2CNCC2(C)C)c(O)c1	1346674297	BFYDXIIMTMJRDR-ZDUSSCGKSA-N	293.367	1.198	10	20	CDCD	
Cc1cncc(N(Cc2ncc[nH]2)C(=O)C2=CC[C@H](N)C2)c1	1579824893	MMHGMPKDWQXHOZ-ZDUSSCGKSA-N	297.362	1.694	10	20	CDCD	
Cc1cc(=NCc2cc(O)ccc2O)c(-c2nn[nH]n2)c[nH]1	1581034301	YOBUSACGPFMNGA-UHFFFAOYSA-N	298.306	1.015	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC[C@]2(OC)CCOC2)c1	123265684	VVLOEUWJFYLDPG-IAQYHMDHSA-N	281.352	1.857	10	20	CDCD	
O=C1CC[C@H]2CN(Cc3cccc(Cl)c3O)CCN12	124579482	KSPWBJZBNFRFBJ-NSHDSACASA-N	280.755	1.852	10	20	CDCD	
CCN(CC)c1ccc(CNC[C@@H](O)COC)cc1F	152278053	XHGPCYULMPUXAZ-CYBMUJFWSA-N	284.375	1.769	10	20	CDCD	
C[C@H](O)C[C@@H]1CCCN1Cc1cc2c(cc1O)OCO2	155417736	NASYNRVELQKRSA-JQWIXIFHSA-N	279.336	1.856	10	20	CDCD	
C[C@@H]1CCN(CCNC(=O)Cc2ccc(N)cc2)C1	844187072	COFAEUBDAWTFQL-GFCCVEGCSA-N	261.369	1.269	10	20	CDCD	
CCCN(Cc1ccccc1O)C[C@@H](O)CN(C)CC	846807125	AAQLGMHVUHKSIQ-HNNXBMFYSA-N	280.412	1.917	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@@]1(C)CCCCN1	136174350	ZTHACHJEDDWSAD-OAHLLOKOSA-N	262.353	1.883	10	20	CDCD	
C[C@@H](CC(N)=O)NCc1ccc2c(c1)CCCN2C	135727584	PCZSIXCKQLYSMQ-NSHDSACASA-N	261.369	1.423	10	20	CDCD	
COc1cccc(CN[C@H](CO)C(C)(C)C)c1O	59240732	GJVNZJGUCKRCAL-GFCCVEGCSA-N	253.342	1.897	10	20	CDCD	
COC[C@@](C)(O)CNCc1ccc(N2CCCC2)cc1	382589006	YIWDFCZSPGZCLM-INIZCTEOSA-N	278.396	1.774	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC[C@H](C)S(C)(=O)=O)c1	697611488	CASPCDSQVZZBAX-VHSXEESVSA-N	287.381	1.485	10	20	CDCD	
C[C@H](NCC(C)(C)OCCO)c1ccc(F)cc1O	388558110	ZWENLDNGJPBTIL-JTQLQIEISA-N	271.332	1.969	10	20	CDCD	
CCC1(CNCc2cccc(OC)c2O)COC1	393970870	MAQOVROKWQLCTL-UHFFFAOYSA-N	251.326	1.917	10	20	CDCD	
CN(Cc1cc(Cl)ccc1O)[C@@H]1CCNC1=O	770380068	LIQOKAARCMNUCG-SNVBAGLBSA-N	254.717	1.366	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCC[C@@H]1[C@H]1CCC[C@@H]1O	126642607	FOGWUDOMMVDSJQ-RTXFEEFZSA-N	291.347	1.863	10	20	CDCD	
CC(C)(C)OCC(=O)NCc1ccc(O)c(O)c1	182537461	GXGAMQYNGAQVGC-UHFFFAOYSA-N	253.298	1.529	10	20	CDCD	
Cc1ccc(O)c(CN[C@H](C)CC[S@@](C)=O)c1	125534584	ICQSPVCOXRWSKV-DIFFPNOSSA-N	255.383	1.947	10	20	CDCD	
CC(=O)c1cc(F)cc(CN(C)[C@H]2CCN(C)C2=O)c1O	79443299	QSLFRBBKLKZMSX-ZDUSSCGKSA-N	294.326	1.396	10	20	CDCD	
CCCNC(=O)CCC(=O)NCCc1ccc(N)cc1	236828189	QGCVZWQTTCNYQW-UHFFFAOYSA-N	277.368	1.234	10	20	CDCD	
CCOC(=O)CN(Cc1cc2c(cc1O)OCO2)C1CC1	263802230	LSNFWNNTMMBBDL-UHFFFAOYSA-N	293.319	1.648	10	20	CDCD	
CCOCc1cc(CNC[C@H]2COCCN2)ccc1OC	530181245	KGOIPGRRHSTPLL-HNNXBMFYSA-N	294.395	1.310	10	20	CDCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CO)cc1	270854600	YQZXXGXJUJLTDL-OAHLLOKOSA-N	292.379	1.253	10	20	CDCD	
Cc1noc(C(C)(C)NC(=O)c2cccc(O)c2O)n1	285800788	VQGIXUJFPHZDAW-UHFFFAOYSA-N	277.280	1.454	10	20	CDCD	
C[C@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1O)C(=O)NCCF	282864643	UUQFQUXTZLIHBW-IUCAKERBSA-N	299.302	1.425	10	20	CDCD	
O=C(c1cccc(O)c1O)N1C[C@]2(CCCO2)[C@@H]1C1CC1	294690308	GDJHASINFWHHEE-GOEBONIOSA-N	289.331	1.881	10	20	CDCD	
COc1cc(O)c(CNCC[C@@H](C)CCO)cc1OC	295025875	CRVDFWSOVVBFKM-LLVKDONJSA-N	283.368	1.908	10	20	CDCD	
COCCN(Cc1ccc(N(C)C)c(C)c1)[C@@H](C)C(N)=O	293137504	QDXCDZQQCGMPIO-ZDUSSCGKSA-N	293.411	1.383	10	20	CDCD	
COc1ccc(CNC(=O)[C@@H]2NCCCC2(C)C)c(O)c1	818000218	KVIFMGXUCPNJLM-AWEZNQCLSA-N	292.379	1.795	10	20	CDCD	
COC(=O)c1ccc(NCCc2ccc(O)c(O)c2)nn1	811811449	UVUVBVQSEUERLQ-UHFFFAOYSA-N	289.291	1.329	10	20	CDCD	
Cn1ncc(CCCNCc2cc(Cl)ccc2O)n1	815144917	RPJIOUSJBRHWPE-UHFFFAOYSA-N	280.759	1.897	10	20	CDCD	
Cc1cnc(COC(=O)c2ccc(C)c(O)c2O)cn1	727004617	NQXSPOQFSMNHNE-UHFFFAOYSA-N	274.276	1.862	10	20	CDCD	
C[C@@H]1CN(Cc2cc3c(cc2O)OCO3)C[C@@]1(C)CO	827700423	SQDMLJFXLHUSQX-BMIGLBTASA-N	279.336	1.571	10	20	CDCD	
COc1cc(O)c(CNC[C@H](C)N(C)C)cc1OC	824988335	JXOOXYYKVMCWEX-JTQLQIEISA-N	268.357	1.449	10	20	CDCD	
C[C@@H]1C[C@H]1C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1	832293389	VUEHUULGVAHJRP-LERXQTSPSA-N	261.369	1.525	10	20	CDCD	
NCCCCCCNC(=O)NCCc1ccc(N)cc1	831178375	PQZHICDDSMEJDU-UHFFFAOYSA-N	278.400	1.630	10	20	CDCD	
CC1=NO[C@@H](C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)C1	831924010	BIAXONQEGPHUMB-AMIZOPFISA-N	278.308	1.310	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)[C@@H](OC)C(=O)O	901849028	IGBPJJDPPZJBLV-GFCCVEGCSA-N	281.308	1.230	10	20	CDCD	
COc1ccc(O)c(CN2CC(OC(F)F)C2)c1	839145287	QWXAOEMRZLMYFA-UHFFFAOYSA-N	259.252	1.824	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCC(N2CCCC2=O)CC1	732287311	ALBMLANEMPRDQH-UHFFFAOYSA-N	294.376	1.681	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)[C@H]1CC(=O)N1	830140762	INTBCLWRXJKNAS-LLVKDONJSA-N	262.309	1.019	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)c1cc(C2CC2)on1	910952007	OTURUVBBIZWUJF-UHFFFAOYSA-N	274.276	1.893	10	20	CDCD	
C[C@H](NCc1nnn(C)n1)c1ccc(Cl)cc1O	841752177	MUUCANXESWLMIL-ZETCQYMHSA-N	267.720	1.420	10	20	CDCD	
CCCCC(=O)N(CC(=O)O)Cc1ccccc1O	911483811	FSEGJTAQWTUTPT-UHFFFAOYSA-N	265.309	1.996	10	20	CDCD	
NCC(F)(F)CNCc1cc(Br)ccc1O	841060144	QFHAZOUUATTZKD-UHFFFAOYSA-N	295.127	1.838	10	20	CDCD	
Cc1cc(Br)c(O)c(CN2CCNCC2)c1	843046182	VIXPNIBSUJMCKG-UHFFFAOYSA-N	285.185	1.868	10	20	CDCD	
C[C@H](NC(=O)N(C)CC(=O)O)c1ccc(N(C)C)cc1	857100585	HGJNULNFXQZERN-JTQLQIEISA-N	279.340	1.540	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NC[C@@H]2CCCNC2=O)c1	858536148	FAVFNCYDGDPQCC-NSHDSACASA-N	291.351	1.026	10	20	CDCD	
Cn1cnc(/C=C\C(=O)N2CCCc3n[nH]cc32)c1	935708302	ICOYBSMWKMZFRI-PLNGDYQASA-N	257.297	1.136	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)N[C@H](C)C2(CO)CC2)c1	850517497	VMKWGVOZXYWAQR-GHMZBOCLSA-N	293.363	1.990	10	20	CDCD	
C[C@H](NC(=O)N(C)C[C@@H](C)N)c1ccc(N(C)C)cc1	861620745	LHLGPXDGEWQJSU-NEPJUHHUSA-N	278.400	1.802	10	20	CDCD	
COC(=O)N(C)CCCC(=O)NCc1cc(C)ccc1O	862760974	YHIWVMZJBDLGEJ-UHFFFAOYSA-N	294.351	1.795	10	20	CDCD	
CCOc1ccc(CN2CCNC(C)(C)C2)c(O)c1	769191627	FOVPEUBXLDRSRR-UHFFFAOYSA-N	264.369	1.975	10	20	CDCD	
CC(C)(CNCc1cc(F)cc(F)c1O)C(=O)O	1119544166	GJYMLOUZRFTXMX-UHFFFAOYSA-N	259.252	1.871	10	20	CDCD	
CCOCCOC[C@H](O)CNCc1ccc(C)cc1O	877474572	BHNWJCHZKJBNGG-CQSZACIVSA-N	283.368	1.204	10	20	CDCD	
Cc1nccn1CCCC(=O)NCc1ccc(O)c(O)c1	778919211	WUNQBHBSTLJAAQ-UHFFFAOYSA-N	289.335	1.699	10	20	CDCD	
CCN(CC)c1ccc(CN(C)[C@H]2CCNC2=O)cc1F	770381075	NVBKHLMJTOINLX-HNNXBMFYSA-N	293.386	1.992	10	20	CDCD	
C[C@@H](NC(=O)c1cccc[n+]1[O-])c1ccc(N(C)C)cc1	773000896	QKOIKKAKRQRUNK-GFCCVEGCSA-N	285.347	1.877	10	20	CDCD	
C[C@@H](NC[C@H](O)Cn1cccn1)c1ccc(N(C)C)cc1	775833487	JXOKFGCHLCKCIA-CJNGLKHVSA-N	288.395	1.661	10	20	CDCD	
CS[C@@H]1CCN(C(=O)NCc2ccc(N)cc2)C1	1120676937	GWSTZPWESGVWQF-GFCCVEGCSA-N	265.382	1.916	10	20	CDCD	
CCn1cc(CC(=O)NCCc2ccc(O)c(O)c2)cn1	780930589	JVZILWWDXYYUMY-UHFFFAOYSA-N	289.335	1.216	10	20	CDCD	
C[C@@H](O)C[C@@H]1CCCN1C(=O)NCc1ccc(N)cc1	1120677143	LEIZKPZSCSLPCG-RISCZKNCSA-N	277.368	1.714	10	20	CDCD	
CCc1ncoc1C(=O)NCc1cccc(OC)c1O	1120709026	KLXMAUXQOLNLND-UHFFFAOYSA-N	276.292	1.881	10	20	CDCD	
COc1ccc(CN[C@H](C)CS(C)(=O)=O)cc1C	78639141	HEPYOOUWUYCBCO-LLVKDONJSA-N	271.382	1.526	10	20	CDCD	
CCO[C@@H]1COCC[C@H]1NCc1cc(C)cc(OC)c1O	894461577	IEYXKZIJCXDXJI-UKRRQHHQSA-N	295.379	1.993	10	20	CDCD	
COc1ccc(CN2CCOCC23CC3)c(O)c1OC	894277979	BJMHEGDZUJMBHF-UHFFFAOYSA-N	279.336	1.774	10	20	CDCD	
COc1cc(O)c(CN2CCO[C@@H](OC)C2)cc1OC	895968721	RKHWQKWAKAOORT-CQSZACIVSA-N	283.324	1.214	10	20	CDCD	
Cn1cncc1CCC(=O)NCCc1ccc(O)c(O)c1	790075758	NHJFZKYYXSWTIJ-UHFFFAOYSA-N	289.335	1.123	10	20	CDCD	
C[C@]1(CNCc2cc3c(cc2O)OCO3)CCCO1	94797466	QUBKRSIXIYZPCL-CQSZACIVSA-N	265.309	1.780	10	20	CDCD	
O[C@H]1C[C@@H](NCc2ccc(N3CCCC3)cc2)C[C@H]1O	1337584620	CTBTXNICNKSYIV-RBVVOMGSSA-N	276.380	1.261	10	20	CDCD	
COc1ccc(CNC[C@H](CC(=O)O)C(=O)O)cc1C	1334853019	MRNXMNYDTWMEAA-NSHDSACASA-N	281.308	1.269	10	20	CDCD	
O=C(CC1(O)CCCC1)NCc1cccc(O)c1O	1349079800	RCVPDTLVHBJKCE-UHFFFAOYSA-N	265.309	1.409	10	20	CDCD	
CCN(CC)C[C@H](C)NC(=O)NCc1ccc(N)cc1	1357648564	WGBONHMQYAWMFV-LBPRGKRZSA-N	278.400	1.798	10	20	CDCD	
COc1ccc(O)c(CN[C@@]2(CC(=O)O)CCCOC2)c1	1607277727	QIDTTZIYNDPRGW-OAHLLOKOSA-N	295.335	1.514	10	20	CDCD	
Cc1ccc(C(=O)N2CC[C@@H](C(=O)O)[C@@H](C)C2)c(O)c1O	1605246797	APNRVHPBAJTTBG-VHSXEESVSA-N	293.319	1.589	10	20	CDCD	
CCn1nncc1CN[C@H](C)c1cc(C(=O)O)ccc1O	1605946784	FMBOGZOCVGDCPS-SECBINFHSA-N	290.323	1.553	10	20	CDCD	
CC(=O)C(=O)CSc1ccc(-c2nn[nH]n2)cc1F	1588781687	JFLRLLVQRGATEA-UHFFFAOYSA-N	280.284	1.256	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NCC1(C(=O)O)CCC1	1594674322	GFISXUWCNRKDPH-HWKANZROSA-N	291.303	1.482	10	20	CDCD	
CN1CCN(c2ccc(/C=C/C(=O)O)cc2[N+](=O)[O-])CC1	20305681	IBLZCGYSFNFKMP-HWKANZROSA-N	291.307	1.444	10	20	CDCD	
CCn1cnc(C(=O)NCCc2ccc(O)c(O)c2)c1	830531464	IQYNBEDNGMLRIY-UHFFFAOYSA-N	275.308	1.287	10	20	CDCD	
CN(C(=O)Cc1ccc(N)cc1)[C@H]1CCSC1	37174063	ZWMVVHUYBSUNDB-LBPRGKRZSA-N	250.367	1.775	10	20	CDCD	
NCc1ccc2c(c1)CCCN2CC(=O)N1CCCC1	62801568	YFYFABLZEIAAQH-UHFFFAOYSA-N	273.380	1.520	10	20	CDCD	
Cn1cnc(CNCc2c(O)cccc2Br)n1	706830349	RXYBJDQPUQNGLM-UHFFFAOYSA-N	297.156	1.573	10	20	CDCD	
C[C@H](N[C@@H]1COCC[C@H]1O)c1ccc(N(C)C)cc1	710920326	GKJORKOZWMJERY-NILFDRSVSA-N	264.369	1.553	10	20	CDCD	
C[C@H](CN)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	1263259977	MWWUHPIYKKZCHV-IUODEOHRSA-N	292.427	1.066	10	20	CDCD	
O=C([C@H]1CCCO1)N1CCN(Cc2ccccc2O)CC1	179553127	RGKXEOUBVWUYHQ-OAHLLOKOSA-N	290.363	1.215	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1cccc[n+]1[O-]	115490512	DAAKGKFZZGTPMT-UHFFFAOYSA-N	285.347	1.624	10	20	CDCD	
Cc1nnc([C@H](C)NC(=O)c2cccc(O)c2O)s1	280547884	TVIHQTNBLWOYGM-LURJTMIESA-N	279.321	1.749	10	20	CDCD	
CCCN(CC(=O)OC)Cc1cc(F)ccc1O	183248575	RGGSEKGWOWJICM-UHFFFAOYSA-N	255.289	1.916	10	20	CDCD	
CCCCOCCNC(=O)c1ccc(C)c(O)c1O	182243118	LOYYAACZGRZKAX-UHFFFAOYSA-N	267.325	1.953	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cn(C)cn1	186388627	ZJPGOCABCKWUAS-SECBINFHSA-N	275.308	1.192	10	20	CDCD	
CC(C)CN(CC(N)=O)C(=O)/C=C/c1ccc(O)c(O)c1	180632559	KLLSJTVYNAGCRJ-GQCTYLIASA-N	292.335	1.081	10	20	CDCD	
CC[C@H](NCCCOCCO)c1ccccc1O	157923454	SKRMGTGBGPNCIS-ZDUSSCGKSA-N	253.342	1.832	10	20	CDCD	
CCCN(C)C(=O)c1cc(NS(C)(=O)=O)ccc1O	49495031	JNTYFOAHEIECDA-UHFFFAOYSA-N	286.353	1.246	10	20	CDCD	
CC(C)[C@@H](NCc1ccc(N2CCOCC2)cc1)C(=O)O	43430161	BQHNCZNYRGZMGM-OAHLLOKOSA-N	292.379	1.722	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CCC(CO)CC2)c1O	50131902	PPSLLOQHVKZRFS-UHFFFAOYSA-N	281.327	1.938	10	20	CDCD	
CCN1CCC[C@H]1CNC(=O)c1c(F)ccc(O)c1O	276512647	DYOFCGLOLQKXSI-VIFPVBQESA-N	282.315	1.451	10	20	CDCD	
C[C@@H]1CN(Cc2ccccc2O)CC[S@](=O)C1	277311890	BPGZPGCGYWZMOT-DIFFPNOSSA-N	253.367	1.593	10	20	CDCD	
CC[C@]1(C)NC(=O)N(Cc2ccc(N(C)C)cc2)C1=O	277204814	DIPKYMGITFUCRV-HNNXBMFYSA-N	275.352	1.973	10	20	CDCD	
Oc1ccc(F)cc1CN1CCN([C@@H]2CCC[C@H]2O)CC1	361049746	DNSXRQXSIVLANF-GDBMZVCRSA-N	294.370	1.562	10	20	CDCD	
CO[C@@H](CNC(=O)c1c(F)ccc(O)c1O)C1CC1	295601198	MZTGKSBFQDPUIS-JTQLQIEISA-N	269.272	1.392	10	20	CDCD	
Cc1ccc(C(=O)O[C@H](C)c2nncn2C)c(O)c1O	805433282	PVGMCNRLZJOGCL-MRVPVSSYSA-N	277.280	1.453	10	20	CDCD	
COCCO[C@@H]1CCCN(C(=O)c2cc(O)cs2)C1	802628819	HWEITSDTWRVIND-LLVKDONJSA-N	285.365	1.721	10	20	CDCD	
CC1(C)CCC[C@]1(O)CNC(=O)c1c(F)ccc(O)c1O	295229015	CFJOKIGWUJQTQS-HNNXBMFYSA-N	297.326	1.908	10	20	CDCD	
OCCCN1CCC[C@@H](N[C@H]2CCc3cccc(O)c32)C1	297193897	FOZHBGDDIRMHIB-CABCVRRESA-N	290.407	1.816	10	20	CDCD	
CCCN(C(=O)c1cc(O)cs1)[C@H]1CC(=O)N(C)C1=O	802645832	CHTRZGSADXFARP-VIFPVBQESA-N	296.348	1.063	10	20	CDCD	
COc1ccc(N2CCN(Cc3noc(C)n3)CC2)cc1	298750437	WIIWBJMDHBSGMV-UHFFFAOYSA-N	288.351	1.709	10	20	CDCD	
CC(=O)C(=O)COC(=O)COc1ccc2c(c1)CCC2	808484119	JZJQLJKZACGAMX-UHFFFAOYSA-N	276.288	1.255	10	20	CDCD	
C[C@@H](NCCN1CCNCC1)c1ccc(N(C)C)cc1	817944083	XFIJLXUUWMWNEE-CQSZACIVSA-N	276.428	1.308	10	20	CDCD	
COCCNCCN[C@H](C)c1cc(C)ccc1O	817964826	KLPJZISKBZDWCP-GFCCVEGCSA-N	252.358	1.587	10	20	CDCD	
CNC(=S)NC1CCN(c2ccc(OC)cc2)CC1	726493831	OBIYTNXNZGPURD-UHFFFAOYSA-N	279.409	1.758	10	20	CDCD	
C[C@@H](NC(=O)c1cnc(N(C)C)cn1)c1ccccc1O	827941153	ODHHMVMEVBBWCE-SNVBAGLBSA-N	286.335	1.739	10	20	CDCD	
O=C(/C=C/c1cccnc1)N1CCCn2nccc21	491477329	FNLJPEOKWRCPIT-SNAWJCMRSA-N	254.293	1.728	10	20	CDCD	
C[C@H]1CN(Cc2c(O)ccc(Cl)c2F)CC(=O)N1	824909380	LIRWVZIECNAYJQ-ZETCQYMHSA-N	272.707	1.505	10	20	CDCD	
COC(=O)[C@@H]1CCCC[C@@H]1C(=O)NCc1ccccc1O	907056478	MFAVGMKZCBQMSE-QWHCGFSZSA-N	291.347	1.988	10	20	CDCD	
COCC1(C)CN(Cc2cc(OC)ccc2O)C1	839143930	RZVKLHYBLDBZIG-UHFFFAOYSA-N	251.326	1.869	10	20	CDCD	
C[C@@H](NC[C@H]1CCCN1CCCO)c1ccccc1O	834851299	WPRVBAMOLFVRGZ-ZIAGYGMSSA-N	278.396	1.890	10	20	CDCD	
CC1CCN(c2ccc(CN=c3nn[nH]n3C)cc2)CC1	731029286	WMHXAPUMXTVJAR-UHFFFAOYSA-N	286.383	1.480	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@H](C)n2cccn2)c1	734015035	VLOVYFIDSFLVEZ-JTQLQIEISA-N	275.308	1.475	10	20	CDCD	
Cc1ccc(C(=O)N2C[C@H]3CCN(C)[C@H]3C2)c(O)c1O	836850808	ZEKZQRQTTZDNLA-PWSUYJOCSA-N	276.336	1.182	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1C[C@@H](N)C1	844186001	CPXFKVXMDHERHY-BETUJISGSA-N	261.369	1.415	10	20	CDCD	
CC(C)(C)N1C[C@H](C(=O)NCc2ccccc2O)CC1=O	748345238	AKQPCXHEDWACTE-GFCCVEGCSA-N	290.363	1.655	10	20	CDCD	
CN1CC[C@@H]2CN(C(=O)NCCc3ccc(N)cc3)C[C@@H]21	841955555	GMBQRWYVCQDWBI-HIFRSBDPSA-N	288.395	1.157	10	20	CDCD	
CCc1cccc(CN[C@H]2C(=O)NCC[C@H]2C)c1O	848909682	ZIWBKSJIWOKAHD-ZWNOBZJWSA-N	262.353	1.569	10	20	CDCD	
NC(=O)C[C@@H]1CCCN(C(=O)c2cc(O)cs2)C1	746708808	AKMLNYLODACTLZ-QMMMGPOBSA-N	268.338	1.181	10	20	CDCD	
CCn1cnnc1CCN[C@H](C)c1cccc(OC)c1O	846152035	MBKAFIKOIPKQAZ-LLVKDONJSA-N	290.367	1.906	10	20	CDCD	
C[C@@H]1COCCN1C(=O)NCCc1ccc(N)cc1	841959929	SIGRSNFSGHKBQH-LLVKDONJSA-N	263.341	1.242	10	20	CDCD	
C[C@H]1CNCCN1Cc1cc(Cl)cc(F)c1O	843047435	LREJLFUOLQLFDR-QMMMGPOBSA-N	258.724	1.978	10	20	CDCD	
O=C(N[C@H]1CCN(CC(F)F)C1)c1cc(O)cs1	842277404	JBEIHFVQLWZUPY-ZETCQYMHSA-N	276.308	1.523	10	20	CDCD	
Oc1cc2c(cc1CN1CCC3(CCNC3)CC1)OCO2	843126352	JOMHPJRMJAGGRI-UHFFFAOYSA-N	290.363	1.696	10	20	CDCD	
CC(=O)c1cc(F)cc(CN[C@H](C)[C@@H](C)C(=O)O)c1O	846228866	RSDPALRJPRWODM-HTQZYQBOSA-N	283.299	1.933	10	20	CDCD	
COc1cc(O)c(CN[C@H](C)[C@@H]2CCCNC2)cc1OC	841033659	RAPGPHALVQWEQE-VXGBXAGGSA-N	294.395	1.887	10	20	CDCD	
C[C@H](NC/C=C/CO)c1ccc(N2CCOCC2)c(F)c1	850509143	PPFATYCEVFCJDJ-IBUXWKBASA-N	294.370	1.861	10	20	CDCD	
COC[C@H](C)CNC(=O)NCc1ccc(N)cc1	1338732294	OTDSEZRRHQWHQH-SNVBAGLBSA-N	251.330	1.351	10	20	CDCD	
CCOc1ccc(CN(CCO)CC2CC2)c(O)c1	769105882	FKBHCFJVIKXECG-UHFFFAOYSA-N	265.353	1.995	10	20	CDCD	
Oc1cc2c(cc1CN1CC[C@]3(CCOC3)C1)[C@H](O)CO2	768463078	FWSXLVYIZYCDGO-ZBFHGGJFSA-N	291.347	1.430	10	20	CDCD	
CCOc1ccc(CN=c2nc(C)[nH]n2C)c(O)c1	767292457	WILAAYTWJAHYTF-UHFFFAOYSA-N	262.313	1.262	10	20	CDCD	
CC[C@@H](C(=O)NCc1cc(C)ccc1O)C(=O)OC	862757306	OJXJZONUSXITDR-NSHDSACASA-N	265.309	1.516	10	20	CDCD	
COC[C@@]1(CO)CCN(Cc2c(C)cccc2O)C1	877573059	KZZDMMGXUOXECQ-HNNXBMFYSA-N	265.353	1.531	10	20	CDCD	
CN(C(=O)c1cncc(N2CCCC2)n1)c1ccc(N)cc1	877074364	IAIAUUXPSSLFKE-UHFFFAOYSA-N	297.362	1.936	10	20	CDCD	
C[C@H](O)CCN(C)Cc1ccc(N2CCC(O)CC2)cc1	876746792	XGBPQTXCWHKHCG-AWEZNQCLSA-N	292.423	1.850	10	20	CDCD	
CCN(C)c1ccc(CN2C[C@@H](O)C[C@H]2CO)cc1	773816558	LADAOLJRPRZRFL-GJZGRUSLSA-N	264.369	1.070	10	20	CDCD	
Cc1csc(CCNC(=O)Cc2ccc(N)cc2)n1	63132193	HRCASPUPQUSHMW-UHFFFAOYSA-N	275.377	1.935	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)c1cccc(C(N)=O)n1	782010355	CMWXITQOBYHLHA-UHFFFAOYSA-N	285.303	1.158	10	20	CDCD	
C[C@H](NCCN1CCNC1=O)c1ccc(Cl)cc1O	886744773	GJNSWBBBQQQCCT-VIFPVBQESA-N	283.759	1.721	10	20	CDCD	
COc1ccc(CNCC(=O)NCC2CC2)c(O)c1OC	893400476	DSOAQCHRGZRTHZ-UHFFFAOYSA-N	294.351	1.025	10	20	CDCD	
Cc1ccc(C(=O)NC[C@@H]2CCN(C(C)C)C2)c(O)c1O	780916297	VCRMYRKNITVTON-LBPRGKRZSA-N	292.379	1.866	10	20	CDCD	
CCN(CCC(=O)NC)Cc1cc(F)ccc1O	897709902	KPSWWMQWAMJGKY-UHFFFAOYSA-N	254.305	1.489	10	20	CDCD	
COCCCCC(=O)NCc1ccc(OC)cc1O	794387381	FQETVCHJIKITEY-UHFFFAOYSA-N	267.325	1.834	10	20	CDCD	
CCOC(=O)C[C@H](C)CNC(=O)c1cccc(O)c1O	790911194	ORWPKCFWKOZVPO-VIFPVBQESA-N	281.308	1.417	10	20	CDCD	
O=C(c1cc(O)cs1)N1CC[C@@H](N2CCCC2=O)C1	792513078	MRKMSJNAOGZVAV-SECBINFHSA-N	280.349	1.291	10	20	CDCD	
COc1ccc(CNC(=O)c2nccs2)c(O)c1	794381103	JFDQWWIGOZMHBI-UHFFFAOYSA-N	264.306	1.787	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2n[nH]cc2C)c1	799697984	MXYCQXALPHZKGY-SECBINFHSA-N	275.308	1.923	10	20	CDCD	
Cn1nncc1C(=O)NCc1ccc(N2CCCCC2)cc1	798935038	KBGAKDDWOHCZPW-UHFFFAOYSA-N	299.378	1.735	10	20	CDCD	
COc1ccc(CNC(=O)c2cscn2)c(O)c1	794373080	GEZRARGHGMNUBO-UHFFFAOYSA-N	264.306	1.787	10	20	CDCD	
O=C(CCc1ncc[nH]1)NCCc1ccc(O)c(O)c1	791220110	GXFBPEZNMBCKDH-UHFFFAOYSA-N	275.308	1.112	10	20	CDCD	
COc1ccc2c(c1)CCCN2C[C@H]1CN(C)C(=O)O1	1324258159	IFGDLAWAJHBWFX-CYBMUJFWSA-N	276.336	1.898	10	20	CDCD	
COc1cccc(CNC(=O)[C@@H]2CCC[C@H]2OC)c1O	1335820767	OXFFOROPXZLRLM-VXGBXAGGSA-N	279.336	1.832	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@@H]1COC(=O)C1	1342892514	HPBIOOXZBXLBGL-KOLCDFICSA-N	293.319	1.098	10	20	CDCD	
CC1=NO[C@](C)(C(=O)NCCc2ccc(O)c(O)c2)C1	1353619871	UCWNYKDIFGDPNH-AWEZNQCLSA-N	278.308	1.311	10	20	CDCD	
COC/C(C)=C/C(=O)NCc1cccc(O)c1O	1520510268	XSLPIQPRJWZKIU-RMKNXTFCSA-N	251.282	1.307	10	20	CDCD	
CCc1cccc(CN2CC[C@](F)(C(=O)O)C2)c1O	1605829122	YUBLAEGRGGFJQK-CQSZACIVSA-N	267.300	1.953	10	20	CDCD	
C[C@H](NCC1(CO)CCC1)c1cc(C(=O)O)ccc1O	1609780082	SLCGVTGKADRKKR-JTQLQIEISA-N	279.336	1.904	10	20	CDCD	
CN(Cc1ccccc1O)c1cnccc1-c1nn[nH]n1	1609280994	SHLBIBWJSUMAJF-UHFFFAOYSA-N	282.307	1.604	10	20	CDCD	
CCCN(CC(=O)O)Cc1cc2c(cc1O)OCO2	1610240497	NJROBFBLKKUZOT-UHFFFAOYSA-N	267.281	1.418	10	20	CDCD	
COc1ccc(CNC[C@@](C)(O)CN(C)C)cc1C	228722743	CWTJIZKNASKZOP-OAHLLOKOSA-N	266.385	1.406	10	20	CDCD	
COC(=O)C[C@@](C)(NC(=O)Cc1ccc(N)cc1)C1CC1	1578800225	CFARCNKQPJTYED-MRXNPFEDSA-N	290.363	1.659	10	20	CDCD	
CC(C)NC(=O)[C@@H](C)N[C@@H](C)c1cc(C(=O)O)ccc1O	1591640123	QEYIAKBDJSSQNP-VHSXEESVSA-N	294.351	1.654	10	20	CDCD	
Nc1ccc(NC(=O)N2CC[C@@H]3NC(=O)CC[C@H]3C2)cc1	160425418	JXRDJZUNWIVFKB-GWCFXTLKSA-N	288.351	1.401	10	20	CDCD	
COc1ccc(CNCCC(=O)N2CCOCC2)cc1C	159272469	KAKDSDXEXUFBAX-UHFFFAOYSA-N	292.379	1.342	10	20	CDCD	
COc1cccc(CN[C@H](C)Cn2cccn2)c1O	37155506	KOLLYGRYSAUCTO-LLVKDONJSA-N	261.325	1.776	10	20	CDCD	
CC(=O)C(=O)CSCCN(C)C(=O)OC(C)(C)C	289567624	HQFWCSAQGQXHOR-UHFFFAOYSA-N	275.370	1.745	10	20	CDCD	
CN(C)C(=O)CCCN[C@@H]1CCc2cccc(O)c21	297766247	OZROKYJJSCMFRH-GFCCVEGCSA-N	262.353	1.838	10	20	CDCD	
OC[C@H](C[C@@H]1CCCO1)NCc1cc(F)ccc1O	895746856	GMUCAVSUGPEQNM-STQMWFEESA-N	269.316	1.551	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)CNC(C)(C)C	110839696	ZLMRCDDCYVHSIE-UHFFFAOYSA-N	250.342	1.739	10	20	CDCD	
CCS(=O)(=O)NCCN(C)c1ccc(OC)c(F)c1	121779079	OGVXSLUZLPKNFJ-UHFFFAOYSA-N	290.360	1.210	10	20	CDCD	
CNCCCNC(=O)c1cc(C)n(-c2ccccn2)c1C	121476705	WXVKUGMLWGFQGI-UHFFFAOYSA-N	286.379	1.828	10	20	CDCD	
O=C(NCc1c(O)ccc2c1CCCC2)C(=O)NC1CC1	75504073	ZECHVGDSQVPZHP-UHFFFAOYSA-N	288.347	1.166	10	20	CDCD	
COC(=O)[C@H]1C[C@@H](O)CN1Cc1cc(Cl)cc(C)c1O	187572438	WMOCASSNGZDPBX-VXGBXAGGSA-N	299.754	1.462	10	20	CDCD	
CN(C)c1ccc(CN2CCO[C@@H](C(=O)O)C2)cc1	86804932	AOFOOOQMJJGJLN-CYBMUJFWSA-N	264.325	1.038	10	20	CDCD	
COc1cccc(CN2CCC[C@@H](CCC(N)=O)C2)c1O	92660472	FZYXYQMCSGTHIV-LBPRGKRZSA-N	292.379	1.878	10	20	CDCD	
CCCN(CCO)Cc1cccc(OCC)c1O	271040332	NIIFVZOHAZLBGJ-UHFFFAOYSA-N	253.342	1.995	10	20	CDCD	
CCO[C@@H]1C[C@@H](NC(=O)c2ccc(C)c(O)c2O)[C@@H]1OC	275230509	FCIZAKONGVMFPA-GYSYKLTISA-N	295.335	1.328	10	20	CDCD	
CN(C)c1ccc(CN2C(=O)NC3(CCC3)C2=O)cc1	277206768	DLXPZVKWWLBVCF-UHFFFAOYSA-N	273.336	1.727	10	20	CDCD	
CCCCN1CC(=O)N[C@H]1c1cccc(F)c1O	272193395	KUPDAXVDHICJEB-CYBMUJFWSA-N	252.289	1.762	10	20	CDCD	
COC[C@H](O)CN[C@@H](C)c1cc2c(cc1O)CCCC2	273367509	BRVJGBOZMIMSSV-SMDDNHRTSA-N	279.380	1.929	10	20	CDCD	
Cc1ccc([C@@H](C)N[C@@H]2COC[C@H]2O)c(O)c1C	296096656	YLHCOORHYWQGLP-RAIGVLPGSA-N	251.326	1.419	10	20	CDCD	
CC(=O)C(=O)COC(=O)c1ccc2c(c1)CCCC2	808491850	TYQMYQQHVXNKHB-UHFFFAOYSA-N	260.289	1.880	10	20	CDCD	
CCNC(=O)[C@@H](NCc1cc(C)ccc1O)C(C)C	293014003	PZDDAKWGSXPRGX-AWEZNQCLSA-N	264.369	1.951	10	20	CDCD	
COc1ccc(CNC(=O)COC(F)F)c(O)c1	803292905	ZSMSEHCDIMZQEM-UHFFFAOYSA-N	261.224	1.256	10	20	CDCD	
CC(=O)C(=O)CSc1nc2nc(C)ccc2o1	808031061	HKUXCKCWAMSALW-UHFFFAOYSA-N	250.279	1.781	10	20	CDCD	
C[C@H](NC[C@@H]1CCCNC1)c1cc([N+](=O)[O-])ccc1O	817945497	DZAGZONRDYLXQV-WDEREUQCSA-N	279.340	1.951	10	20	CDCD	
C[C@H]1NCC[C@H]1C(=O)NCCCSc1nccs1	829528003	JBICZLLWQCTRDE-NXEZZACHSA-N	285.438	1.740	10	20	CDCD	
COc1ccc(CN[C@@H](C)Cc2cnccn2)c(O)c1	725849636	SOFCJBLHAKAAGD-NSHDSACASA-N	273.336	1.912	10	20	CDCD	
C[C@@H]1C[C@H](NC(=O)c2c(F)ccc(O)c2O)CCN1C	826076681	IZXRSAKATKTNOO-RKDXNWHRSA-N	282.315	1.449	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H](CC(C)C)C(=O)O)c(O)c1O	821064186	ZGCZNTAMCSUAAF-JTQLQIEISA-N	281.308	1.635	10	20	CDCD	
CNC(=O)[C@@H]1CCCN(C(=O)c2cc(O)cs2)C1	732293563	MXIUFMKIBQUUNX-MRVPVSSYSA-N	268.338	1.052	10	20	CDCD	
CCN(C)c1ccc(CN2CCC[C@@H]2C(N)=O)cc1	831857410	KSWFVSGFWWQKMZ-CQSZACIVSA-N	261.369	1.592	10	20	CDCD	
CC(C)N(C)S(=O)(=O)Nc1ccc(O)c(F)c1F	830185122	UWRRLZPWIPHBDN-UHFFFAOYSA-N	280.296	1.667	10	20	CDCD	
COC[C@H](OC)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	832431756	UBRBMLLPUMXVHU-RISCZKNCSA-N	280.368	1.591	10	20	CDCD	
C[C@H](NC[C@@H]1CCCN1CCCO)c1ccccc1O	834851296	WPRVBAMOLFVRGZ-KBPBESRZSA-N	278.396	1.890	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2ccc(C(=O)O)cn2)cc1	914847111	QOALVJYFMFTQMA-UHFFFAOYSA-N	299.330	1.776	10	20	CDCD	
O=C(O)CCN(C[C@H]1CCCO1)C(=O)c1cc(O)cs1	833233092	ZSMLOWIJUJYLSC-SNVBAGLBSA-N	299.348	1.550	10	20	CDCD	
NCC[C@H]1CCCN(C(=O)NCCc2ccc(N)cc2)C1	841955633	ISSDKEOJKLZCDG-CQSZACIVSA-N	290.411	1.582	10	20	CDCD	
CCCNCCNC(=O)NCc1ccc(N(C)C)cc1	841653199	HXMXLKPHZMMLSK-UHFFFAOYSA-N	278.400	1.551	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@H]2CC[C@H]2C(N)=O)cc1F	847405857	SZMLSKIBDKRUHN-GHMZBOCLSA-N	293.342	1.019	10	20	CDCD	
C[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccc(N)cc1	841028267	ADLCWTRAJIRCEQ-BXKDBHETSA-N	261.325	1.512	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NCC2CCNCC2)cc1	841651844	BJRCDSLIZIQHPY-UHFFFAOYSA-N	290.411	1.551	10	20	CDCD	
COc1cc(N2CC=CC2)c([N+](=O)[O-])cc1OC	845562889	SDOWIHCCTAPENC-UHFFFAOYSA-N	250.254	1.988	10	20	CDCD	
CCCCOC(=O)[C@@H](C)OC(=O)c1cccc(O)c1O	758582331	RPQQGDMLGGADME-SECBINFHSA-N	282.292	1.986	10	20	CDCD	
O=C1N[C@H](C2CC2)C(=O)N1Cc1ccc(N2CC=CC2)cc1	761366094	XRWBFHKAQYQXMX-OAHLLOKOSA-N	297.358	1.893	10	20	CDCD	
CCC(=O)N[C@H](C)C(=O)NCc1cc(C)ccc1O	862760002	OWNZRXFPGBTIAU-SNVBAGLBSA-N	264.325	1.232	10	20	CDCD	
COc1cccc([C@@H](C)N[C@H]2CCC[C@@H]2O)c1O	866489828	WRAMTCBTUZZEDJ-USWWRNFRSA-N	251.326	1.965	10	20	CDCD	
COc1cccc([C@H](C)N[C@H]2C[C@@H](CO)C2)c1O	866416018	KMZMCAVYXPGONC-GARJFASQSA-N	251.326	1.822	10	20	CDCD	
COC(=O)[C@H]1C[C@@H](NC(=O)N[C@H](C)c2ccccc2O)C1	875669448	FQUHFMSPPSPUNQ-MXWKQRLJSA-N	292.335	1.704	10	20	CDCD	
CC(C)NC(=O)NC(=O)[C@@H](C)N[C@H](C)c1ccccc1O	879649137	MQRAZPDJYSIMMS-GHMZBOCLSA-N	293.367	1.666	10	20	CDCD	
CCOc1ccc(CN2CCC(CO)(CO)CC2)c(O)c1	877797289	FVIGBPRJKCZAQY-UHFFFAOYSA-N	295.379	1.358	10	20	CDCD	
CCOCC(=O)N[C@H](C)c1ccc(N(C)C)cc1	773007742	JADSDAYAQFIGOF-LLVKDONJSA-N	250.342	1.966	10	20	CDCD	
Cc1ccc(CN2CC[C@H](C)C[C@@H]2C(N)=O)c(O)c1	877437051	UEXIIDUHKLCDNO-WCQYABFASA-N	262.353	1.786	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)NCc1cnc[nH]1	779519291	JTVJNKDVZVWESF-RQOWECAXSA-N	259.265	1.151	10	20	CDCD	
C[C@H]1CCc2n[nH]cc2[C@H]1C(=O)NCc1ccc(N)cc1	1122445570	VFUKGWXVFRKIQK-BONVTDFDSA-N	284.363	1.974	10	20	CDCD	
Cc1ccc(C(=O)NCc2nonc2C)c(O)c1O	780945460	WQBFKKMIQDMUIS-UHFFFAOYSA-N	263.253	1.028	10	20	CDCD	
COc1ccccc1NC[C@@H](O)CN(C)C1CC1	386002764	UCCCHXATQNTYPZ-GFCCVEGCSA-N	250.342	1.562	10	20	CDCD	
O=C1OCC[C@@H]1NCc1cc(Br)ccc1O	895799058	MHOOMWLSHCWAKZ-VIFPVBQESA-N	286.125	1.560	10	20	CDCD	
CCN(C)C(=O)CN1CCOc2cc(N(C)C)ccc21	271671811	IJMHZBXXNIBPMR-UHFFFAOYSA-N	277.368	1.430	10	20	CDCD	
COc1ccc(CN2CC([C@@H]3CCOC3)C2)c(O)c1OC	894148752	LVERZABNVZRZIK-GFCCVEGCSA-N	293.363	1.878	10	20	CDCD	
CC1(C(=O)O)CN(Cc2cc(Cl)ccc2O)C1	399212738	RWSFQHJUWFELNQ-UHFFFAOYSA-N	255.701	1.952	10	20	CDCD	
COc1ccc(CNC(=O)[C@@H]2CCCO2)c(O)c1	794387197	GPKRQRUBGFZUCQ-LBPRGKRZSA-N	251.282	1.196	10	20	CDCD	
Nc1ccc(CNC(=O)N2CC[C@H]3NCC[C@@H]3C2)cc1	1335736745	HRKORDGHSDIPFU-TZMCWYRMSA-N	274.368	1.162	10	20	CDCD	
CC1(C)C[C@H](C(=O)NCCc2ccc(O)c(O)c2)CCO1	1337196463	GGWBWIMFPBWRQS-GFCCVEGCSA-N	293.363	1.962	10	20	CDCD	
CN(C)c1ccc(CNC(=O)C(=O)NC2CC=CC2)cc1	1261528430	WYNYVUZXYFFAJJ-UHFFFAOYSA-N	287.363	1.204	10	20	CDCD	
C[C@@H](CN)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	1263259979	MWWUHPIYKKZCHV-WFASDCNBSA-N	292.427	1.066	10	20	CDCD	
O=C(O)CC1CC(NCc2c(O)cccc2F)C1	1601946653	OAAXOHREFUDELA-UHFFFAOYSA-N	253.273	1.874	10	20	CDCD	
CC(C)(C)N1CC[C@H]1C(=O)NCc1ccc(N)cc1	1575140563	SOLNDNGZDBTDPE-ZDUSSCGKSA-N	261.369	1.758	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)[C@H]2OCC[C@H]2N)cc1	1577699393	BEJMWONPULAPJA-CABCVRRESA-N	291.395	1.265	10	20	CDCD	
CC[C@H](C(=O)O)N(C)C(=O)/C=C/c1ccc(O)c(O)c1	1589433236	CRUSRSAPEMAEAB-BREXMAIKSA-N	279.292	1.433	10	20	CDCD	
COc1ccc(CN=c2cc[nH]c(-c3nn[nH]n3)c2)c(O)c1	1591602222	KDZVXVOPYBEDLE-UHFFFAOYSA-N	298.306	1.010	10	20	CDCD	
CNC(=O)C[C@H](C)N[C@@H](C)c1cc(C(=O)O)ccc1O	1598640425	XULYLCCBJHQQKS-IUCAKERBSA-N	280.324	1.266	10	20	CDCD	
CCNC(=O)CN(C)Cc1ccc(N2CCOCC2)cc1	15571706	FUBWDRAKJXGSNC-UHFFFAOYSA-N	291.395	1.091	10	20	CDCD	
O=C(/C=C/c1ccc(N2CCOCC2)cc1)N1CCCO1	154839912	WNZXXRUVBBRDJJ-QPJJXVBHSA-N	288.347	1.700	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCCC2(C1)OCCO2	126169021	CPXHWDWNCCUPRR-UHFFFAOYSA-N	279.292	1.077	10	20	CDCD	
C[C@@H](O)CCn1cc(COc2ccc(N)cc2)nn1	881315550	HHBRDPSEAKSTRO-SNVBAGLBSA-N	262.313	1.210	10	20	CDCD	
C[C@H]1CS(=O)(=O)C[C@H]1NCc1cc(F)ccc1O	290181931	NVYDONITMMQPHF-GZMMTYOYSA-N	273.329	1.054	10	20	CDCD	
Cc1ccc(O)c(CN2C[C@H](C)S(=O)(=O)[C@@H](C)C2)c1	291045946	ZNDFQMSAFZXDFO-RYUDHWBXSA-N	283.393	1.708	10	20	CDCD	
COc1cccc(CNC[C@@H](OC)C2CC2)c1O	292946503	IIGVDYMIDDBWAC-CYBMUJFWSA-N	251.326	1.915	10	20	CDCD	
CC[C@@H](CO)N(C)Cc1cc(F)cc(C(C)=O)c1O	293908459	HVKWSFIKHAOWFF-LBPRGKRZSA-N	269.316	1.937	10	20	CDCD	
O=C1NCCCC[C@H]1N[C@@H]1CCc2cccc(O)c21	295836064	FIIYROLPKQOHOW-VXGBXAGGSA-N	260.337	1.638	10	20	CDCD	
CC(=O)c1cc(Cl)cc(CN2CC(=O)N[C@H](C)C2)c1O	296150587	JRVHKQOGYDTPPV-MRVPVSSYSA-N	296.754	1.569	10	20	CDCD	
O=C(COc1ccccc1O)NCc1ccccc1O	706312117	HMMVTHVWVQOZIU-UHFFFAOYSA-N	273.288	1.793	10	20	CDCD	
C[C@@H](CS(C)(=O)=O)N(C)Cc1cc(F)cc(F)c1O	708383529	MBNIDIKKMAYDJV-QMMMGPOBSA-N	293.335	1.535	10	20	CDCD	
COc1ccc(N(C)C[C@@H](O)Cn2cccn2)c(OC)c1	179007629	ZVXIZRFEMGWSEM-GFCCVEGCSA-N	291.351	1.398	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CSc2cnn[nH]2)cc1	177365765	CLQXWQDMFBXYPE-UHFFFAOYSA-N	291.380	1.279	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2cc(C(C)=O)c[nH]2)c1	114512493	DQYBLHZTBMWQTR-UHFFFAOYSA-N	288.303	1.862	10	20	CDCD	
COc1ccc(O)c(CNC(=O)NCc2nccs2)c1	114589752	PJUSYSGBGOFCAL-UHFFFAOYSA-N	293.348	1.857	10	20	CDCD	
CN(CCCF)Cc1cc2c(cc1O)OC[C@H]2O	1349957992	GOJAUYCFWWKPBX-GFCCVEGCSA-N	255.289	1.609	10	20	CDCD	
COc1cccc(CNC(=O)c2cccnc2)c1O	68488693	AYNBIDFYZGSGKY-UHFFFAOYSA-N	258.277	1.726	10	20	CDCD	
COc1ccc(O)c(CN2CCC3(CC2)OCCO3)c1	179665682	QTMVRUYQFGXUHP-UHFFFAOYSA-N	279.336	1.740	10	20	CDCD	
C[C@H]1C(=O)NCCN1Cc1cccc(Br)c1O	123475566	FDYNOQFXEWFAMN-QMMMGPOBSA-N	299.168	1.475	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2cnc(S)[nH]2)c1	187094717	WBSKSTRMYMOKAR-UHFFFAOYSA-N	279.321	1.343	10	20	CDCD	
CN(C)Cc1ccnc(NC(=O)c2cccc(O)c2O)c1	187166843	XOIRNFRSIDIHND-UHFFFAOYSA-N	287.319	1.807	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)Cc2ccn[nH]2)c1	121735351	FCAWGFDQQHGCHQ-SECBINFHSA-N	275.308	1.544	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cscn1	183468597	XLHASAIXUSBERG-MRVPVSSYSA-N	278.333	1.915	10	20	CDCD	
COc1ccc(O)c(CNCCC(=O)N2CCCCC2)c1	135756989	AWEAIESMLAXUIM-UHFFFAOYSA-N	292.379	1.893	10	20	CDCD	
C[C@@H](NCCCN1CCOC1=O)c1ccccc1O	179874837	YILNYFRESKHEFO-LLVKDONJSA-N	264.325	1.885	10	20	CDCD	
Cc1cc(C(=O)N(C)[C@@H](C)CN)c(C)n1-c1ccccn1	237463243	YBIZLXJXPJQLMG-LBPRGKRZSA-N	286.379	1.908	10	20	CDCD	
C[C@H]1[C@@H](C)N(Cc2ccc(N(C)C)cc2)CCS1(=O)=O	93559164	SURXIZYUIMURHI-OLZOCXBDSA-N	296.436	1.760	10	20	CDCD	
Cc1ccc([C@H](C)NC[C@@H]2COCCN2)c(O)c1C	530225180	MKKAQYPDPXGSGF-QWHCGFSZSA-N	264.369	1.648	10	20	CDCD	
COCCO[C@@H]1CCN(C(=O)c2ccc(C)c(O)c2O)C1	275448495	CJHDRYSOLXNQOK-LLVKDONJSA-N	295.335	1.284	10	20	CDCD	
C[C@H]1[C@@H](C)N(Cc2ccccc2O)CC[S@]1=O	271440304	RUVXVDAEBGLWBL-VGTOOOLASA-N	253.367	1.734	10	20	CDCD	
CC(=O)C(=O)Cn1cnc2sc(C)c(C)c2c1=O	288944867	RVMMKDCYCCFGHI-UHFFFAOYSA-N	264.306	1.233	10	20	CDCD	
CN(C)c1ccc(CN(C2CC2)S(C)(=O)=O)cc1	298888242	TZDFIKPVCDJPLD-UHFFFAOYSA-N	268.382	1.677	10	20	CDCD	
COC(=O)c1cnc(SCCn2ccnc2)s1	295387339	UQHHUEWUXJSLIB-UHFFFAOYSA-N	269.351	1.919	10	20	CDCD	
OCCCN1CCC[C@H](NCc2ccc3c(c2)CCO3)C1	295209898	ZXCIQUFBGKXQPG-INIZCTEOSA-N	290.407	1.558	10	20	CDCD	
CCN(C)c1ccc([C@H](C)NC[C@H]2CNCCO2)cc1	817983746	PIYGZHZGBWMDRA-XJKSGUPXSA-N	277.412	1.782	10	20	CDCD	
COCC(C)(C)CNC(=O)NCc1cc(OC)ccc1O	813642912	ZQUSHDXSNOKEBO-UHFFFAOYSA-N	296.367	1.873	10	20	CDCD	
COCCNCCN[C@H]1C[C@@H](C)c2c(F)ccc(O)c21	817964472	DVXUNRRJAUCTSY-PWSUYJOCSA-N	282.359	1.905	10	20	CDCD	
C[C@@H](CC(=O)NCc1ccc(O)c(O)c1)n1cccn1	819398668	OMNNKKSSGHTUOE-JTQLQIEISA-N	275.308	1.562	10	20	CDCD	
C[C@@H]1NCC[C@H]1C(=O)NCCCSc1nccs1	829528010	JBICZLLWQCTRDE-VHSXEESVSA-N	285.438	1.740	10	20	CDCD	
O=C(NCc1ccccc1O)N[C@@H]1CCN(C2CC2)C1	734271672	DOULMVNMCAQPST-GFCCVEGCSA-N	275.352	1.428	10	20	CDCD	
NC(=O)CCC(=O)NCc1ccc(N2CCCCC2)cc1	906435618	YZEHGWGJYQQECE-UHFFFAOYSA-N	289.379	1.559	10	20	CDCD	
O=C(NCCCNc1ncccn1)c1cc(O)cs1	732272728	OPDLLYRWOFKZSB-UHFFFAOYSA-N	278.337	1.476	10	20	CDCD	
COC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1	837705267	SUEXICAVGUSEMZ-UHFFFAOYSA-N	286.278	1.657	10	20	CDCD	
C[C@@]1(C(=O)OCC(=O)c2ccc(O)c(O)c2)CCCCO1	838436871	JCQDUBNVWREODW-HNNXBMFYSA-N	294.303	1.783	10	20	CDCD	
CC[C@@H](C(=O)O)C(=O)N[C@H](C)c1cc(OC)ccc1O	911343656	RZHNBJKGRWCXDN-PSASIEDQSA-N	281.308	1.689	10	20	CDCD	
Nc1ccc(CCNC(=O)NC[C@H]2CCC[C@H](O)C2)cc1	841955105	UTXJXPOXJUWRKC-ZFWWWQNUSA-N	291.395	1.662	10	20	CDCD	
Cc1cc(O)c(CNC[C@H]2COCCO2)cc1C	742367595	FIERKFFOUSMLDE-ZDUSSCGKSA-N	251.326	1.514	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNc1cc(=O)n(C)cn1	848665775	MJUWVEZSOCIOAQ-UHFFFAOYSA-N	272.352	1.767	10	20	CDCD	
CN(C)c1ccc([C@H](N)CNC(=O)c2csnn2)cc1	843298805	QCAPHZDGHWUUHX-LLVKDONJSA-N	291.380	1.034	10	20	CDCD	
C[C@H](CCO)CCNC(=O)NCCc1ccc(N)cc1	841955938	RVNJOZSWYFNIBF-LBPRGKRZSA-N	279.384	1.519	10	20	CDCD	
Cc1ccc(C(=O)N2C[C@H]3[C@H](C2)C3(F)F)c(O)c1O	846603241	KQNOROMQTROERI-IUCAKERBSA-N	269.247	1.743	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N2CC[C@H](N)C2)cc1F	841759497	GPCRSSZLXNFTDF-NSHDSACASA-N	280.347	1.134	10	20	CDCD	
CC(C)[C@@H](O)C(=O)NCc1cc(Cl)ccc1O	846477150	QCTBODFIAJHFDQ-LLVKDONJSA-N	257.717	1.679	10	20	CDCD	
C[C@H]1CN(Cc2cc3c(cc2O)OCO3)C[C@@H](C)N1	843049125	FXWGMYMTJWSIJZ-AOOOYVTPSA-N	264.325	1.303	10	20	CDCD	
Cc1noc(C)c1C(=O)COC(=O)c1cccc(O)c1O	758548174	PVPYRNGWQPBUEQ-UHFFFAOYSA-N	291.259	1.742	10	20	CDCD	
Nc1ccc(NC(=O)[C@@H]2CC(=O)N[C@H]3CCCC[C@H]32)cc1	851633612	OSMZFFGHBJAZFC-MJBXVCDLSA-N	287.363	1.902	10	20	CDCD	
COC(=O)[C@@](C)(CO)NCc1ccc(N(C)C)c(C)c1	852159946	VFZOUEAASLZPLD-OAHLLOKOSA-N	280.368	1.075	10	20	CDCD	
O=C(NC[C@H](CO)CC1CC1)c1cccc(O)c1O	855916438	NUDQKKSGXCQPPJ-SNVBAGLBSA-N	265.309	1.236	10	20	CDCD	
Cn1ccc(C(=O)COC(=O)c2cccc(O)c2O)c1	758547613	MKPDTTTYLBYMIW-UHFFFAOYSA-N	275.260	1.476	10	20	CDCD	
CCCNC(=O)CN[C@H](C)c1cc(F)cc(F)c1O	756355036	FYEQOMAISVAKPK-MRVPVSSYSA-N	272.295	1.847	10	20	CDCD	
CNC[C@@H](C)NCc1ccc([N+](=O)[O-])c(OC)c1O	853248311	CYFCDHOBKAZUGB-MRVPVSSYSA-N	269.301	1.007	10	20	CDCD	
CN(C[C@H]1CC2(CC2)C(=O)O1)c1ccc2c(c1)OCO2	763738922	NIDCETGIENLMQJ-LLVKDONJSA-N	275.304	1.947	10	20	CDCD	
CC[C@@H](NCc1ccc(N2CCCC2)cc1)C(=O)NC	697830401	RZGSEVYWUCDNQK-OAHLLOKOSA-N	275.396	1.901	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@H](C)Cc2cnc[nH]2)c1	862755007	NBUCCSNXUJJTSE-LLVKDONJSA-N	273.336	1.919	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)c1nccn(C)c1=O	770472127	GNNJXTCZZCBNLQ-UHFFFAOYSA-N	286.379	1.873	10	20	CDCD	
Cc1ccc(CN2CC(=O)N[C@@H]3CCCC[C@H]32)c(O)c1	876652576	PYNGGXNCEIUKNV-ZIAGYGMSSA-N	274.364	1.944	10	20	CDCD	
OCC[C@@]1(NCc2c(O)ccc(Cl)c2F)CCOC1	775029507	OUWSLDMDOMETQY-CYBMUJFWSA-N	289.734	1.816	10	20	CDCD	
CCNC(=O)N1CC[C@H](N[C@@H](C)c2c(O)cccc2F)C1	886551810	OYCNFBQMYGHZNO-QWRGUYRKSA-N	295.358	1.986	10	20	CDCD	
C[C@H](NC(=O)N1CC[C@@](C)(O)C1)c1ccc(N(C)C)cc1	776250151	SOUCYTJXKWYBRQ-BLLLJJGKSA-N	291.395	1.980	10	20	CDCD	
CON(C)C(=O)[C@@H](C)N[C@H](C)c1c(O)cccc1F	886644830	LNOCEYWDLXIVHH-RKDXNWHRSA-N	270.304	1.590	10	20	CDCD	
CNC(=O)[C@@H]1CCC[C@H]1NCc1cc(F)cc(F)c1O	883079675	ZPVHPWDIEBEISD-ZYHUDNBSSA-N	284.306	1.675	10	20	CDCD	
COc1ccc(O)c([C@H](C)N[C@@H](CO)C[C@@H]2CCCO2)c1	886670459	PQJUZNTZMGSTCX-SCRDCRAPSA-N	295.379	1.981	10	20	CDCD	
C[C@H](O)C[C@@H](C)NCc1ccc(N2CCOCC2)c(F)c1	782980006	SDEHBVNAMVXWHQ-OLZOCXBDSA-N	296.386	1.911	10	20	CDCD	
CN(C)c1ccc(CN[C@@H]2CCCC[C@H]2C(N)=O)cc1	273396519	LEPCIOCWSFOWGG-HUUCEWRRSA-N	275.396	1.886	10	20	CDCD	
NC(=O)c1ccccc1NC(=O)c1cccc(O)c1O	188085496	VZIYRMVXGDXFRT-UHFFFAOYSA-N	272.260	1.449	10	20	CDCD	
CC[C@@H](NC[C@@]1(O)CCN(C)C1)c1ccc(F)cc1O	796936123	DSRVMCVTWIXOSM-HIFRSBDPSA-N	282.359	1.639	10	20	CDCD	
C[C@@]1(CCC(=O)NCc2ccc(O)c(O)c2)CCC(=O)N1	793689522	NYUDBPUDJWBFQL-OAHLLOKOSA-N	292.335	1.163	10	20	CDCD	
CC(=O)NCCC1=CCN(c2ncnc3[nH]cnc23)CC1	1089802131	FRLIIKRPZGEZDL-UHFFFAOYSA-N	286.339	1.016	10	20	CDCD	
C[C@@H](NC(=O)C(=O)N1CC(F)C1)c1ccc(N(C)C)cc1	1325143613	ZJDMDJXSOVTRKI-SNVBAGLBSA-N	293.342	1.110	10	20	CDCD	
CNC[C@@H](C)CNCc1cc(Cl)cc([N+](=O)[O-])c1O	1325624889	GVQZQQDVCWJSTB-MRVPVSSYSA-N	287.747	1.899	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1C[C@@H]1F	1338824386	HTASZQRQLRJFJL-MNOVXSKESA-N	264.300	1.836	10	20	CDCD	
CC(C)(CNCc1cc([N+](=O)[O-])ccc1O)CC(=O)O	1339012102	TUXLCEIDRXAEPP-UHFFFAOYSA-N	282.296	1.891	10	20	CDCD	
CSCC[C@H](NCc1cc(F)cc(F)c1O)C(=O)O	1331979510	CLRJTBGTMRBLKR-JTQLQIEISA-N	291.319	1.966	10	20	CDCD	
Nc1ccc(CNC(=O)NC[C@H]2CCCCN2)cc1	1335666632	SHNGQAFQPXGJPC-CYBMUJFWSA-N	262.357	1.210	10	20	CDCD	
CCN(CCOC)C(=O)NCc1ccc(N)cc1	1353539159	ISQWQCHXJIVJSD-UHFFFAOYSA-N	251.330	1.447	10	20	CDCD	
Oc1cc2c(cc1CNCCOCC(F)(F)F)OCO2	111607851	VJECAWWJABRLTH-UHFFFAOYSA-N	293.241	1.789	10	20	CDCD	
O=C(O)CC1(NC(=O)c2cc(O)cs2)CCC1	1601930321	SVGXYPOCUJNKKU-UHFFFAOYSA-N	255.295	1.581	10	20	CDCD	
C[C@H](NCCOCC(=O)O)c1c(O)cccc1F	1603248803	UKRCUXMBYRMDTK-QMMMGPOBSA-N	257.261	1.283	10	20	CDCD	
CC(C)CNC(=O)CNCc1cc(F)ccc1O	226605165	KAWJYDQGLSAPQE-UHFFFAOYSA-N	254.305	1.393	10	20	CDCD	
CO[C@H]1CCCC[C@@H]1C(=O)NCc1cccc(O)c1O	1548791528	LYKMVEUPOREWLK-AAEUAGOBSA-N	279.336	1.919	10	20	CDCD	
CCNS(=O)(=O)CCN[C@@H](CC)c1ccccc1O	229561421	FTEHXTMFUIQYPA-LBPRGKRZSA-N	286.397	1.372	10	20	CDCD	
CC[C@H](N[C@H](C)c1cc(C(=O)OC)ccc1O)C(=O)O	1593623374	XYCYXAIUKCISAB-KCJUWKMLSA-N	281.308	1.693	10	20	CDCD	
COCCOC[C@H](NCc1ccc(OC)c(C)c1)C(=O)O	1777218232	WJWWYJCCLSYKJX-ZDUSSCGKSA-N	297.351	1.209	10	20	CDCD	
CCOc1ccc(N(C)CCN2C(=O)CNC2=O)cc1	150732045	SNBFWPQSSUWYRZ-UHFFFAOYSA-N	277.324	1.073	10	20	CDCD	
COc1cccc(O)c1CN1CC[C@@H]2NCC[C@H]2C1	843127742	SXXMIESPAOAYDT-AAEUAGOBSA-N	262.353	1.585	10	20	CDCD	
COc1ccc(N(C)CCCS(C)(=O)=O)cc1	844352768	HANXPVIBJZSMEI-UHFFFAOYSA-N	257.355	1.566	10	20	CDCD	
O=C(O)CCN(Cc1ccccc1O)C[C@@H]1CCCO1	238099760	XLECMWNQRCJCOC-ZDUSSCGKSA-N	279.336	1.848	10	20	CDCD	
CC[C@H](C)[C@@H](O)CNC(=O)Cc1ccc(N)cc1	157841564	AOARXVOLTCNTDE-GWCFXTLKSA-N	250.342	1.335	10	20	CDCD	
C[C@H](N[C@H]1CCCN(C)C1=O)c1ccc(F)cc1O	704356760	NFVIKRPSNXNWOH-CABZTGNLSA-N	266.316	1.803	10	20	CDCD	
COc1cccc(CNC2CCN(OC)CC2)c1O	692097937	RDTXTBYMZBYISA-UHFFFAOYSA-N	266.341	1.516	10	20	CDCD	
CN(Cc1ccc(N)cc1)CC(C)(C)S(C)(=O)=O	713939827	PLAJAFAPHOFCFC-UHFFFAOYSA-N	270.398	1.524	10	20	CDCD	
CCc1cccc(CN(C)CCC(=O)NC)c1O	821984124	UEDGARRGKCWWKS-UHFFFAOYSA-N	250.342	1.523	10	20	CDCD	
CO[C@@H]1COC[C@@H]1N[C@@H](C)c1ccc(F)cc1O	840825902	DTFGUXGWQDZLED-LJUAHTATSA-N	255.289	1.596	10	20	CDCD	
COc1ccc(O)c(CNC[C@@H](O)CC(C)C)c1	224571962	GGFHVCAHCZGLRH-LBPRGKRZSA-N	253.342	1.897	10	20	CDCD	
Cc1cccc(CNCCSCCCO)c1O	224792598	SHRXMUWGTIEJJO-UHFFFAOYSA-N	255.383	1.906	10	20	CDCD	
COC(=O)[C@@H](C)CN(C)Cc1cccc(C)c1O	179773726	YPXLODFWPIFQLF-NSHDSACASA-N	251.326	1.942	10	20	CDCD	
CN(C)c1ccc(CN2CCN(Cc3cn[nH]c3)CC2)cc1	1348169405	QMBPXQGKURLEAE-UHFFFAOYSA-N	299.422	1.794	10	20	CDCD	
Nc1ccc(CC(=O)Nc2nc3c(s2)COCC3)cc1	178509287	KNDLHADNIFAVKY-UHFFFAOYSA-N	289.360	1.979	10	20	CDCD	
COc1ccc(O)c(CN2CCN(CC(C)(C)O)CC2)c1	180010350	JJQGRVUYANTFEZ-UHFFFAOYSA-N	294.395	1.289	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@]2(O)CCSC2)cc1F	130654774	BDYXSSZAEUSMJW-AWEZNQCLSA-N	298.383	1.376	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccnn1C	266300277	AFSXMWANUIRJQR-UHFFFAOYSA-N	286.335	1.525	10	20	CDCD	
COCCN(CC(=O)OC)Cc1cccc(OC)c1O	271157778	CCHLCADCIAMNNC-UHFFFAOYSA-N	283.324	1.022	10	20	CDCD	
Cc1cc(O)c(CNC[C@@]2(O)CCO[C@H]2C)cc1C	278566679	DCMAWTIOJARLPY-WFASDCNBSA-N	265.353	1.639	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2CCC[C@H](CO)C2)c1O	278138159	ALIDSDHNMOGMLC-JTQLQIEISA-N	296.323	1.513	10	20	CDCD	
CCO[C@@H]1C[C@@H](NC(=O)NCc2ccccc2O)[C@@H]1OC	274953334	QFAOPAKWSIOKBS-BNOWGMLFSA-N	294.351	1.384	10	20	CDCD	
CN(Cc1cc(Cl)cc(Cl)c1O)[C@@H]1COC[C@H]1O	289706261	OSNRCDPTVXUFPY-GHMZBOCLSA-N	292.162	1.891	10	20	CDCD	
COc1cc(O)c(CN2CC(=O)N(C3CC3)C2)cc1OC	280553544	UFUDNRUPGRKPLJ-UHFFFAOYSA-N	292.335	1.174	10	20	CDCD	
c1cc(N2CCOCC2)ccc1CN1CCn2cncc2C1	370667502	NCNJLXJLCSLVJO-UHFFFAOYSA-N	298.390	1.736	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)COC(F)F)c1	802781882	IBTFUSQELJDXIH-SSDOTTSWSA-N	275.251	1.817	10	20	CDCD	
O=C(NCCN[C@H]1CCc2cccc(O)c21)c1ccco1	295773878	ALZUMPDJZGJWBB-LBPRGKRZSA-N	286.331	1.992	10	20	CDCD	
CC(C)[C@H](CO)CNCc1cc([N+](=O)[O-])ccc1O	808421862	SGTFUPWRGSBAHY-NSHDSACASA-N	268.313	1.655	10	20	CDCD	
CC(=O)C(=O)COC(=O)COc1ccc(C)c(C)c1	808487021	RNGFHZWTEBMFFJ-UHFFFAOYSA-N	264.277	1.384	10	20	CDCD	
Oc1cc(F)c(Cl)cc1CNC[C@H]1COCCO1	816536841	LPMHCBWGNPCYNN-VIFPVBQESA-N	275.707	1.690	10	20	CDCD	
CON1CCC(NC(=O)NCc2ccccc2O)CC1	817172938	DAXSBBCEINVJJK-UHFFFAOYSA-N	279.340	1.217	10	20	CDCD	
CC[C@@H]1CN(C)CCN1C(=O)/C=C\c1ccc(O)c(O)c1	818977069	AALUMWVWKOQIEY-SCXUMTSISA-N	290.363	1.664	10	20	CDCD	
CC(C)NC(=O)CNC(=S)N(C)Cc1ccccc1O	727276425	JPSQLMSPRPQUBF-UHFFFAOYSA-N	295.408	1.223	10	20	CDCD	
Cc1ccc(O)c(CNC[C@H]2CCCN2CCCO)c1	824559760	YOJBSSUKXUQWSR-OAHLLOKOSA-N	278.396	1.637	10	20	CDCD	
Cc1cc(O)c(CN2CC[C@H](C(N)=O)C2)cc1Cl	824484446	HOIUWHOCYPWFJT-VIFPVBQESA-N	268.744	1.661	10	20	CDCD	
CN1CCN(c2ccc(CN3CC[C@H](F)C3)cc2)CC1	824570284	AULFPXXJOBGUOV-HNNXBMFYSA-N	277.387	1.982	10	20	CDCD	
CCN(C(=O)c1cccc2c1CCNC2)c1cnn(C)c1	662833166	ZVFGNVDPZQKTJO-UHFFFAOYSA-N	284.363	1.733	10	20	CDCD	
O=C(NCCCSc1nccs1)c1cc[nH]n1	733972887	NOIOILQKINIPPB-UHFFFAOYSA-N	268.367	1.778	10	20	CDCD	
COc1ccc(N2CCN(C[C@H]3CCCN3)CC2)cc1F	903444906	DPSGLHRVNSLRND-CYBMUJFWSA-N	293.386	1.708	10	20	CDCD	
O=C(OCc1nnnn1C1CC1)c1cc(O)cs1	732352653	AWBUIPIZZBFJOP-UHFFFAOYSA-N	266.282	1.132	10	20	CDCD	
CC(C)(C)[S@](=O)CCNC(=O)c1cc(O)cs1	732830417	IZGBVPFHQXHZHW-QGZVFWFLSA-N	275.395	1.731	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCc1ccon1	831924382	HBIDLGMDQVSUIN-SNVBAGLBSA-N	290.319	1.766	10	20	CDCD	
CN(C)c1ccc(CNC(=O)C2(C(=O)O)CC2)cc1F	737954844	HCEJAUBGXURVEV-UHFFFAOYSA-N	280.299	1.373	10	20	CDCD	
C[C@@H](C1CCN(C)CC1)N(C)C(=O)Cc1ccc(N)cc1	831875860	CNVSHOIRONFUDP-ZDUSSCGKSA-N	289.423	2.000	10	20	CDCD	
CN(C)c1ccc([C@@H](N)CNC(=O)[C@]2(C)CCOC2)cc1	911667933	UNKLDIXERKPFGR-GOEBONIOSA-N	291.395	1.295	10	20	CDCD	
COc1cc(O)c(CN2[C@H]3CCNC[C@H]2CC3)cc1OC	843057705	HDUDUMWOEFTTBP-CHWSQXEVSA-N	292.379	1.736	10	20	CDCD	
CC(C)(CCO)CNC(=O)NCCc1ccc(N)cc1	841958028	NOZSBCMHZHMAFV-UHFFFAOYSA-N	279.384	1.519	10	20	CDCD	
C[C@H](OC[C@H]1CCCO1)C(=O)NCc1ccc(O)cc1O	910955184	OIQAIYODSFIAND-GXFFZTMASA-N	295.335	1.298	10	20	CDCD	
COc1cccc([C@H](C)N[C@@H](CO)C2CCOCC2)c1O	846162992	KARWPGFXNLXRIR-FZMZJTMJSA-N	295.379	1.839	10	20	CDCD	
COc1ccc2c(c1)CCCN2Cc1nnnn1C	749899353	MWSJAQZOKQRRDY-UHFFFAOYSA-N	259.313	1.172	10	20	CDCD	
CC1=CCCN(C(=O)C(=O)Nc2ccc(N)cc2)C1	841122893	MPBZOVOXGXBNMT-UHFFFAOYSA-N	259.309	1.386	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1CCO[C@H]([C@@H](C)N)C1	843056669	UZAPJJGTDVSXGY-CJNGLKHVSA-N	277.412	1.609	10	20	CDCD	
COC[C@@H](OC)C(=O)NCc1cc(Cl)ccc1O	855023265	WVGWSIXRNVRHKT-LLVKDONJSA-N	273.716	1.323	10	20	CDCD	
COC[C@H](C)CNC(=O)NCc1cc(C)ccc1O	858191260	WQWWBFVDBPCSNR-LLVKDONJSA-N	266.341	1.782	10	20	CDCD	
COC[C@@H](CN[C@@H](C)c1cc(F)cc(F)c1O)OC	757636898	HILPQIFMQDRHAY-WCBMZHEXSA-N	275.295	1.982	10	20	CDCD	
CN(C)c1ccc(CN2C[C@@](C)(CO)[C@@](C)(CO)C2)cc1	859831760	BPNYVOKOJBIHEC-CALCHBBNSA-N	292.423	1.565	10	20	CDCD	
COc1cccc(CNC2COC(C)(C)OC2)c1O	758010233	GWPDNWPSOIXCMX-UHFFFAOYSA-N	267.325	1.642	10	20	CDCD	
CCn1cc(CNC(=O)NCc2cc(C)ccc2O)nn1	858611473	KURACSJLWLEVAS-UHFFFAOYSA-N	289.339	1.311	10	20	CDCD	
CCN(CC(=O)NC)Cc1ccc(N(C)C)c(F)c1	768302691	PDWQUWAEKATTNQ-UHFFFAOYSA-N	267.348	1.460	10	20	CDCD	
CCN(CC)c1ccc(CNC[C@]2(O)CCN(C)C2)cc1	762570004	VPSTWTOAJAQGJU-QGZVFWFLSA-N	291.439	1.689	10	20	CDCD	
OCC[C@H](NCc1cc(F)ccc1O)C1CCOCC1	764678239	LJFXBEMGQZRIHQ-AWEZNQCLSA-N	283.343	1.799	10	20	CDCD	
Cc1ccc(CN2CCN(C[C@H](C)O)CC2)c(O)c1	876686760	ICGJSGNBHVXPHL-ZDUSSCGKSA-N	264.369	1.199	10	20	CDCD	
CCOC(=O)C1=NN(c2ccc(F)cc2OC)C(=O)[C@H]1C	871958211	ALBUXYKEUWQZDO-QMMMGPOBSA-N	294.282	1.736	10	20	CDCD	
COc1cccc(O)c1CN1Cc2cnn(C)c2C1	877633080	YKPHYXUEHUSIQG-UHFFFAOYSA-N	259.309	1.650	10	20	CDCD	
COC[C@@H]1CN(Cc2c(C)cccc2O)C[C@@H](C)O1	877465164	VNKFYHCCZPIJHV-OLZOCXBDSA-N	265.353	1.936	10	20	CDCD	
Cc1nnc(COC(=O)c2cccc(O)c2O)o1	776278722	FRKPTKTZQUWSAB-UHFFFAOYSA-N	250.210	1.146	10	20	CDCD	
CCN(C)c1ccc(CN2CCCNC(=O)[C@@H]2C)cc1	773887219	DYZICQUOSQGHEC-ZDUSSCGKSA-N	275.396	1.853	10	20	CDCD	
C[C@@H]1CCS(=O)(=O)CCN1Cc1ccc(N)cc1	1120371107	QSHGIJLSQAQQNN-LLVKDONJSA-N	268.382	1.278	10	20	CDCD	
CN(C)c1ccc(Cn2cc(Cn3cccn3)nn2)cc1	881271023	FJJFZILZQJEERS-UHFFFAOYSA-N	282.351	1.637	10	20	CDCD	
C[C@@H]1C[C@H](O)CN1Cc1cc2c(cc1O)OCO2	788268999	JZQBNJSQLOMDLY-SCZZXKLOSA-N	251.282	1.076	10	20	CDCD	
Cc1nc(CN(C)Cc2cc(F)cc(F)c2O)no1	895352789	BDWGICRBBZKCRD-UHFFFAOYSA-N	269.251	1.994	10	20	CDCD	
CCOCCOCCN(C)Cc1cc2c(cc1O)OCO2	787239365	NVOJZOBZOBQGPR-UHFFFAOYSA-N	297.351	1.606	10	20	CDCD	
[N-]=[N+]=NCCN1CCC(N2CCSCC2)CC1	409431073	RRBSIAFQXPFQRQ-UHFFFAOYSA-N	255.391	1.810	10	20	CDCD	
Oc1c(F)cc(F)cc1CN1CC[C@H](C2OCCO2)C1	896378326	QQFDRKHLAINJJL-VIFPVBQESA-N	285.290	1.865	10	20	CDCD	
C[S@](=O)CCNCc1c(O)cccc1Br	706834340	XOXZOHLOXBQICB-HNNXBMFYSA-N	292.198	1.623	10	20	CDCD	
CNC(=O)[C@@]1(C)CCN(Cc2cc(C)cc(C)c2O)C1	797417363	RFWPSZUZGLKTSJ-INIZCTEOSA-N	276.380	1.967	10	20	CDCD	
CCN1CCC[C@H](NC(=O)Nc2ccc(N)cc2)C1=O	722349321	OUAICVZODWMMOP-LBPRGKRZSA-N	276.340	1.401	10	20	CDCD	
Oc1cc2c(cc1CN1[C@H]3CC[C@H]1COC3)OCO2	695063105	HDUHGAJMPSRZOY-QWRGUYRKSA-N	263.293	1.484	10	20	CDCD	
COc1cccc(O)c1CN1CCC[C@H](S(C)(=O)=O)C1	764676754	BURBIIOSZWXJTC-NSHDSACASA-N	299.392	1.410	10	20	CDCD	
CCc1[nH]nc(NC(=O)c2cccc(O)c2O)c1C	1321436722	AGHQMTLNTSDSLJ-UHFFFAOYSA-N	261.281	1.944	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1C=CCC1	1330660631	WHINOXDZKIPLSX-LBPRGKRZSA-N	274.320	1.185	10	20	CDCD	
CN(C)CC1CCN(C(=O)NCc2ccc(N)cc2)CC1	1338800389	ZXHWZEDNUFZYKP-UHFFFAOYSA-N	290.411	1.752	10	20	CDCD	
CN1CCCC[C@@H]1CNC(=O)/C=C\c1ccc(O)c(O)c1	1337536501	UXYVKLLYXCBENZ-FWPCIQOSSA-N	290.363	1.712	10	20	CDCD	
C[C@H]1CN[C@H](C)CN1C(=O)NCc1ccc(N)cc1	1336290218	KCUWQIFZBHBZCU-MNOVXSKESA-N	262.357	1.161	10	20	CDCD	
C[C@@H](O)[C@H](NCc1cc(Cl)cc(Cl)c1O)C(=O)O	1334091184	XJRJEGNZDCHYFJ-ANLVUFKYSA-N	294.134	1.623	10	20	CDCD	
Cc1ccc(O)c(CN2CCN3C(=O)CC[C@@H]3C2)c1	211599157	BLKTWVAROCULQZ-CYBMUJFWSA-N	260.337	1.507	10	20	CDCD	
COC(=O)NC1CN(Cc2ccc(N3CCCC3)cc2)C1	1344568844	PEFUJCFZQACGDH-UHFFFAOYSA-N	289.379	1.827	10	20	CDCD	
Nc1ccc(CNC(=O)c2cncc(N3CCCC3)n2)cc1	1524008792	JSOZWKZPIMHYII-UHFFFAOYSA-N	297.362	1.589	10	20	CDCD	
O=C(O)c1nc(=NCc2cccc(Cl)c2O)cc[nH]1	1608999691	NQKUCTFJDVVQCF-UHFFFAOYSA-N	279.683	1.568	10	20	CDCD	
Cc1cc(O)c(CN2C[C@@H](O)C[C@@H]2C(=O)O)cc1C	1607698603	AZLGNXGDMKFTCA-NWDGAFQWSA-N	265.309	1.029	10	20	CDCD	
CC[C@H]1C[C@@H](C(=O)NCc2cccc(O)c2O)CC(=O)N1	1548791590	BTQDKVAMHMNMRS-MNOVXSKESA-N	292.335	1.019	10	20	CDCD	
C[C@@H](C(=O)NCc1ccc(N)cc1)N(C)CC(F)(F)F	1575069095	JCPGSZIXNWXAFI-VIFPVBQESA-N	289.301	1.768	10	20	CDCD	
COc1ccc(O)c([C@H](C)N[C@H](C)CC(=O)O)c1	1594105461	MKPVTEQKXNSETJ-BDAKNGLRSA-N	253.298	1.915	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2ccc(C(=O)O)o2)cc1	1598320376	ARKDVEIVOVNMLY-UHFFFAOYSA-N	288.303	1.974	10	20	CDCD	
CCS(=O)(=O)NCCCN(C)Cc1ccccc1O	151679745	IETSSKRCXVEOLD-UHFFFAOYSA-N	286.397	1.153	10	20	CDCD	
O=C(COCC1CC1)NCc1ccc(O)c(O)c1	159017303	ILPIPLIXEKZJTC-UHFFFAOYSA-N	251.282	1.141	10	20	CDCD	
CC[C@@H](COC)NC(=O)NCc1cc(OC)ccc1O	159985614	GOLZVXHNFJBOGK-NSHDSACASA-N	282.340	1.625	10	20	CDCD	
c1cn(CCNCc2ccc3c(c2)CCCO3)cn1	921483720	UFUNVGUWQHXKRD-UHFFFAOYSA-N	257.337	1.998	10	20	CDCD	
CCN1C[C@@H](NCc2ccc3c(c2)CCCO3)CC1=O	922157677	CODHALJIEDIUGH-AWEZNQCLSA-N	274.364	1.722	10	20	CDCD	
Cc1cccc(O)c1CNC[C@@H]1CCN(S(C)(=O)=O)C1	877118662	JJTQYEDVSWBRGJ-LBPRGKRZSA-N	298.408	1.072	10	20	CDCD	
CN(C)[C@@H]1CCC[C@H](NC(=O)Cc2ccc(N)cc2)C1	237184475	HFKGUCRECHNYPZ-LSDHHAIUSA-N	275.396	1.800	10	20	CDCD	
CN1CC=C(CNCc2cc(F)ccc2O)CC1	272581061	GSWGXZCFKHCDRD-UHFFFAOYSA-N	250.317	1.883	10	20	CDCD	
CC(=O)N[C@H](C(=O)NCc1ccccc1O)C(C)C	701127729	GKSMKWJLUNVYDG-ZDUSSCGKSA-N	264.325	1.169	10	20	CDCD	
COc1cccc(O)c1CNC[C@H]1CCCN1C	858236055	ZFJHRUUIZQDVOY-LLVKDONJSA-N	250.342	1.585	10	20	CDCD	
CCNC(=O)NC(=O)CN1CCCc2cc(OC)ccc21	27579496	YMLYZYMSBDUEHY-UHFFFAOYSA-N	291.351	1.294	10	20	CDCD	
COc1ccc(O)c(CNC(=O)CNC(=O)C(C)(C)C)c1	114542197	ATQDLKYRCQVXSX-UHFFFAOYSA-N	294.351	1.179	10	20	CDCD	
COc1ccc(N2CCN(C(N)=O)CC2)cc1F	176487019	HOZYCOPGPNCBKF-UHFFFAOYSA-N	253.277	1.035	10	20	CDCD	
CN1CCCc2cc(CNC(=O)CCn3ccnn3)ccc21	69950586	IMJLEHITARUDOC-UHFFFAOYSA-N	299.378	1.367	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H](C)CCCO)c(O)c1O	182592580	QOWKVKKWGLGUFY-VIFPVBQESA-N	253.298	1.297	10	20	CDCD	
Cc1cc(O)c(CN2C[C@H](CO)OC[C@H]2C)cc1C	305747151	RUCRFHJVXFUUDU-TZMCWYRMSA-N	265.353	1.591	10	20	CDCD	
Cn1cnc(CNCc2c(O)cccc2Cl)n1	125326010	OZWDKSFHKSMYIM-UHFFFAOYSA-N	252.705	1.464	10	20	CDCD	
COC(=O)CNC(=O)c1ccc(-n2c(C)ccc2C)cc1	30695580	MOCQSQFBTGFQLD-UHFFFAOYSA-N	286.331	1.997	10	20	CDCD	
Cn1ncc2c(NCCc3ccc(O)c(O)c3)ncnc21	194436218	GSQLFFXUULWHCI-UHFFFAOYSA-N	285.307	1.429	10	20	CDCD	
O=C(C[C@H]1CCCO1)NCCc1ccc(O)c(O)c1	178424668	DCJMOVHUXYNYEM-LLVKDONJSA-N	265.309	1.326	10	20	CDCD	
Cc1nccn1C[C@@H](C)CNC(=O)Cc1ccc(N)cc1	237557364	NMLORTQLBKDYPU-LBPRGKRZSA-N	286.379	1.769	10	20	CDCD	
C[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)CC[C@H]1O	250071774	OACKOOBBXCVHBD-RHSMWYFYSA-N	290.407	1.726	10	20	CDCD	
C[C@H](NC(=O)C1CCCC1)C(=O)Nc1ccc(N)cc1	269109820	DNYZAEWYRHKDAB-JTQLQIEISA-N	275.352	1.902	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1cccc(O)n1	279400623	JRDZFTMCYGFXCS-UHFFFAOYSA-N	299.330	1.892	10	20	CDCD	
C[C@H](NC[C@@]1(O)CCO[C@@H]1C)c1cc([N+](=O)[O-])ccc1O	278662694	FMYFATXIMGGTFS-RBZYPMLTSA-N	296.323	1.491	10	20	CDCD	
Cc1ccc(C(=O)NCCC[C@H](C)CO)c(O)c1O	272928918	FZZXWSVATMHNLG-VIFPVBQESA-N	267.325	1.545	10	20	CDCD	
CC[C@H](N[C@@H]1CC(=O)N(C)C1)c1ccc(C)cc1O	280302042	ZYHBAZSQXBRYFN-YPMHNXCESA-N	262.353	1.972	10	20	CDCD	
CC[C@@H](C)NC(=O)CSc1ncc(C(=O)OC)s1	295261977	IURRAKAUDAJRNX-SSDOTTSWSA-N	288.394	1.937	10	20	CDCD	
CC(=O)C(=O)CSc1nnc(C)n1-c1ccccc1	808014032	VVVRQVWBFATDQC-UHFFFAOYSA-N	275.333	1.826	10	20	CDCD	
COc1cccc(CNC(=O)COC(F)F)c1O	802782972	WZOGCGIXOKNPGB-UHFFFAOYSA-N	261.224	1.256	10	20	CDCD	
Cc1nnc(CCNC(=O)c2ccc(C)c(O)c2O)s1	292519677	BQENBSHAXVVDQP-UHFFFAOYSA-N	293.348	1.539	10	20	CDCD	
CC[C@@H](N)CNC(=O)c1cc(C)n(-c2ccccn2)c1C	295185878	IECRGFXIDHPBSN-CYBMUJFWSA-N	286.379	1.956	10	20	CDCD	
CO[C@H]1COCC[C@H]1CNCc1cc(F)ccc1O	824708927	LJIZBGPVLVVOQP-HZMBPMFUSA-N	269.316	1.672	10	20	CDCD	
CC(C)[C@](C)(O)CNC(=O)c1c(F)ccc(O)c1O	826121079	NIPFVWFWXBEROT-CYBMUJFWSA-N	271.288	1.374	10	20	CDCD	
CC[C@H](CO)NCC(=O)N(C)Cc1ccc(N(C)C)cc1	727060859	XINRLVUHWDEQJQ-CQSZACIVSA-N	293.411	1.072	10	20	CDCD	
COc1cccc(CNC(=O)Nc2cnc(C)nc2)c1O	729569640	PYXDVFJCDXJFJO-UHFFFAOYSA-N	288.307	1.821	10	20	CDCD	
Oc1ccc(F)cc1CN1C[C@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1	824838780	RLLRFCAYDMQDQM-AYRXBEOTSA-N	261.296	1.917	10	20	CDCD	
NC(=O)[C@@H]1CC[C@H](NCc2cc(Cl)cc(F)c2O)C1	825279573	SEKBAWQLKDLXHU-XCBNKYQSSA-N	286.734	1.928	10	20	CDCD	
CN1CCCc2cc(CNC(=O)[C@@H](O)C3CC3)ccc21	824682923	PCPUUUAPJHKQHJ-HNNXBMFYSA-N	274.364	1.456	10	20	CDCD	
COc1cc(O)c(CN2CC[C@@H](C(=O)O)C2)cc1OC	820775492	YLCABMILSNBWGI-SECBINFHSA-N	281.308	1.316	10	20	CDCD	
C[C@@H](NCc1cn(-c2ccn(C)n2)nn1)c1ccccc1O	906323322	RFQMFORVWZFZIJ-LLVKDONJSA-N	298.350	1.557	10	20	CDCD	
COc1ccc(CNC(=O)[C@@]2(C)CCCCO2)c(O)c1	837591364	DMAHGLAUTVNIRN-OAHLLOKOSA-N	279.336	1.976	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)c1ccc(C(=O)O)nc1	830860190	NUIIFMXDGHIRQC-UHFFFAOYSA-N	286.287	1.758	10	20	CDCD	
C[C@H]1C[C@H](NC(=O)N(C)Cc2ccccc2O)CCN1	841990074	XYELTMKXIIZFBK-WCQYABFASA-N	277.368	1.674	10	20	CDCD	
C[C@@H]1CC2(CCNCC2)CN1C(=O)Cc1ccc(N)cc1	842514620	GEHWQSKTABDIHW-CYBMUJFWSA-N	287.407	1.802	10	20	CDCD	
COc1cc(O)c(CN[C@@H]2CCC[C@H](N)C2)cc1OC	841058109	PSZNMEPSEZKMBW-NWDGAFQWSA-N	280.368	1.769	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNc1nccn2nnnc12	749147299	HJJKFUYYUMIFOL-UHFFFAOYSA-N	283.339	1.506	10	20	CDCD	
CCN(CC(=O)NCc1ccc(O)cc1O)C1CC1	910950233	SVHCFAJGIXDAFD-UHFFFAOYSA-N	264.325	1.198	10	20	CDCD	
CC[C@@H]1CN(Cc2cc3c(cc2O)OC[C@@H]3O)[C@@H](C)CO1	844733778	XSGFAEJORQVGHL-NVBFEUDRSA-N	293.363	1.817	10	20	CDCD	
COc1ccc(CNC(=O)N[C@H]2CCCNCC2)c(O)c1	841976935	JEDHNLKPQDQNMA-LBPRGKRZSA-N	293.367	1.342	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN[C@H]1C(=O)NCC[C@@H]1C	840942484	UMAHFRWLGMITAH-XHDPSFHLSA-N	275.396	1.675	10	20	CDCD	
CCOc1ccc(O)c(CN2CCO[C@H]([C@H](C)N)C2)c1	843057905	NVMDRHHQUABDDK-NHYWBVRUSA-N	280.368	1.339	10	20	CDCD	
C[C@@H](CC(=O)NCCc1ccc(N)cc1)n1ccnc1	846666778	WKYAQNXIIGLGGE-LBPRGKRZSA-N	272.352	1.775	10	20	CDCD	
COC[C@@H](CO)NCc1ccc(N(C)C)cc1C	840940841	HUPRVEARDQORTJ-CYBMUJFWSA-N	252.358	1.158	10	20	CDCD	
CS[C@H]1CCN(Cc2cc3c(cc2O)OC[C@@H]3O)C1	840112508	DFGRXBSKPGWQLY-GWCFXTLKSA-N	281.377	1.755	10	20	CDCD	
CN(CC(C)(C)N)C(=O)NCc1ccc(N(C)C)c(F)c1	851656648	OBANATPOSOQNED-UHFFFAOYSA-N	296.390	1.770	10	20	CDCD	
COc1ccc(N2CCN(C(=O)[C@H](O)C3CC3)CC2)cc1	854199237	YOCAZXMEBNLFRE-OAHLLOKOSA-N	290.363	1.115	10	20	CDCD	
Cc1ccc(C(=O)OCC(=O)NCC(C)(C)C)c(O)c1O	859534244	GJZYTGYMHTVTSY-UHFFFAOYSA-N	295.335	1.725	10	20	CDCD	
CC(C)NCC(=O)NCc1ccc2c(c1)CCCN2C	852799037	PZZRNNJHYNHVJS-UHFFFAOYSA-N	275.396	1.683	10	20	CDCD	
CC(C)NC(=O)NCc1ccc(N2CCC(O)CC2)cc1	851905089	HMNYYLHXOJOXPI-UHFFFAOYSA-N	291.395	1.855	10	20	CDCD	
CC(=O)c1cc(O)ccc1NS(=O)(=O)N1CCCCC1	758782141	NBTSTBHMTYWLBB-UHFFFAOYSA-N	298.364	1.737	10	20	CDCD	
C[C@H]1C[C@H](NCC2(CO)COC2)c2c(O)ccc(F)c21	756759872	NCGIJUCAVGRDFD-ONGXEEELSA-N	281.327	1.678	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](C)NC	54075010	UDCWYQIGHCDDFJ-LBPRGKRZSA-N	263.385	1.709	10	20	CDCD	
CC(=O)N[C@@](C)(C(=O)N(C)Cc1ccccc1O)C(C)C	934704951	MICCGXPBJMMQLL-MRXNPFEDSA-N	292.379	1.901	10	20	CDCD	
COC(=O)C[C@H]1CN(Cc2c(O)cccc2OC)CCO1	769446026	KCNPPCZAUZEHFV-NSHDSACASA-N	295.335	1.165	10	20	CDCD	
Cc1cccc(O)c1CN1CC[S@](=O)C[C@H](C)C1	877477452	FDNVPIMEXWXEEX-ZMZPIMSZSA-N	267.394	1.901	10	20	CDCD	
Cc1nc(=NCc2c(O)cccc2Cl)n(C)[nH]1	767289528	BAVUXUACDLHGDB-UHFFFAOYSA-N	252.705	1.517	10	20	CDCD	
CN(C)c1ccc(CN[C@H]2CCCNC(=O)C2)cc1F	876989569	YLVQJVJNIFZPHT-LBPRGKRZSA-N	279.359	1.650	10	20	CDCD	
O=C(OCc1nccs1)c1cccc(O)c1O	776281440	CXTSTXWEMYUIQI-UHFFFAOYSA-N	251.263	1.911	10	20	CDCD	
Cc1ccc(CN2CC[C@H](C)S(=O)(=O)CC2)c(O)c1	877478060	LASNBYWXLGTCOX-LBPRGKRZSA-N	283.393	1.710	10	20	CDCD	
CCOc1ccc(O)c(CN2C[C@H](CO)OC[C@H]2C)c1	770353013	RDNVNJKUQYRCTI-BXUZGUMPSA-N	281.352	1.373	10	20	CDCD	
C[C@]1(NC(=O)/C=C/c2ccc(O)c(O)c2)CCCOC1	779546642	ZLBGXKNBJUQUCK-DRDHIDPGSA-N	277.320	1.796	10	20	CDCD	
O=C(N=c1cc[nH]cc1[N+](=O)[O-])NCc1ccccc1O	781456082	SLZNHIYOOPFKDZ-UHFFFAOYSA-N	288.263	1.439	10	20	CDCD	
COC(=O)[C@](C)(CO)NCc1c(O)ccc(Cl)c1F	894973058	WMBAWKARHGTKOF-LBPRGKRZSA-N	291.706	1.198	10	20	CDCD	
C[C@@H](NC(=O)NC[C@H]1C[C@@H](N)C1)c1ccccc1O	892546700	JXUPZNMZJRNMJH-MXWKQRLJSA-N	263.341	1.490	10	20	CDCD	
COc1cccc(CNC(=O)NC/C=C\Cl)c1O	899052086	SHHUPSHIAUWPFX-UTCJRWHESA-N	270.716	1.953	10	20	CDCD	
Oc1c(F)cc(F)cc1CNC[C@@]1(O)CCSC1	708393298	BYNKNXMIOKOQCW-LBPRGKRZSA-N	275.320	1.628	10	20	CDCD	
C[C@@H](NC[C@H]1CCS(=O)(=O)C1)c1ccc(F)cc1O	62747895	IRORQYXCKDAXTK-NXEZZACHSA-N	287.356	1.617	10	20	CDCD	
COc1ccc(CNC(=O)NC[C@H]2CCCO2)c(O)c1	792764197	VXVGCPKQXVJMIQ-GFCCVEGCSA-N	280.324	1.379	10	20	CDCD	
CN(C)c1ccc(CNC[C@H]2[C@H](C(=O)O)C2(F)F)cc1	715336099	VRQZOVFSZYIKFQ-NWDGAFQWSA-N	284.306	1.808	10	20	CDCD	
C[C@H](NCc1cc2c(cc1O)OCO2)C1(CO)CC1	696064218	SUJHKDANZSOOSU-VIFPVBQESA-N	265.309	1.372	10	20	CDCD	
O=C(O)C1(NCc2ccc3c(c2)CCO3)CCOCC1	789901913	HIINHIVMGQQYHI-UHFFFAOYSA-N	277.320	1.345	10	20	CDCD	
COc1ccc(N2CCN(C[C@@H](C)N)CC2)c(OC)c1	1236410752	KNFGHBMYDYGMPW-GFCCVEGCSA-N	279.384	1.173	10	20	CDCD	
CN1CCCc2cc(CNC(=O)NCCCON)ccc21	1335985178	AISUKKCERRKMTE-UHFFFAOYSA-N	292.383	1.149	10	20	CDCD	
CCN(C[C@H](C)OC)C(=O)NCc1ccc(N)cc1	1338793684	RSBKCVMJOPQHOA-NSHDSACASA-N	265.357	1.835	10	20	CDCD	
CN(C)c1ccc([C@H](N)CNC(=O)c2cccc(N)n2)cc1	1349092707	DWJGRBXOERHTLG-CYBMUJFWSA-N	299.378	1.160	10	20	CDCD	
C[C@@H]1C[C@H](C(=O)NCc2cccc(O)c2O)CO1	1352657852	NKDSJTRBIPFDFG-SCZZXKLOSA-N	251.282	1.139	10	20	CDCD	
CCc1noc(COc2ccc(N(C)C)c(C(=O)O)c2)n1	1597751462	WPSQYKRNNRQMKC-UHFFFAOYSA-N	291.307	1.975	10	20	CDCD	
CCN(C)c1ccc(CN2CCC[C@](O)(C(=O)O)C2)cc1	1776855917	MCKARGWNJFTUBR-MRXNPFEDSA-N	292.379	1.554	10	20	CDCD	
CCS(=O)(=O)NCCNCc1ccc2c(c1)CCCO2	921604663	UXKBKESTJFRFIF-UHFFFAOYSA-N	298.408	1.041	10	20	CDCD	
O=C(NCc1ccccc1O)[C@H]1C[C@@]12CCCNC2	848426266	BTOXSUUUROEHAL-IUODEOHRSA-N	260.337	1.398	10	20	CDCD	
COCCO[C@@H]1CCN(Cc2ccc(C)cc2O)C1	877460598	WKYXLGCUYYLSEX-CQSZACIVSA-N	265.353	1.938	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H](N)C1CC1	137310486	BVVWHOBZHWAQIU-OAHLLOKOSA-N	275.396	1.838	10	20	CDCD	
C[C@H](CN1CCOCC1)NCc1cc(Cl)ccc1O	36933216	VFTFLDOKNZDTJO-LLVKDONJSA-N	284.787	1.856	10	20	CDCD	
COc1ccc(CNC2CCN(C(C)=O)CC2)c(O)c1	40906567	POXHFLYUPIGHLK-UHFFFAOYSA-N	278.352	1.501	10	20	CDCD	
Cn1cncc1CCN[C@H]1CCc2cccc(O)c21	401765654	LKBZMIIXNXXLOC-ZDUSSCGKSA-N	257.337	1.945	10	20	CDCD	
C[C@H](NCCN1CCC(O)CC1)c1ccc(F)cc1O	321605340	UJUIZOKOWHXUAU-NSHDSACASA-N	282.359	1.639	10	20	CDCD	
O=C(CNCc1cc(F)cc(F)c1O)NC1CC1	708548397	DXJDDAGIOPWJRH-UHFFFAOYSA-N	256.252	1.039	10	20	CDCD	
Cc1ccc(C(=O)NC[C@@](C)(O)c2ccco2)c(O)c1O	179529227	CNVJHTDHJFBOFR-OAHLLOKOSA-N	291.303	1.637	10	20	CDCD	
OCC(F)(F)CNCc1cccc(Cl)c1O	185661267	SBDSUNFPYNKCQY-UHFFFAOYSA-N	251.660	1.763	10	20	CDCD	
Cc1cc(C)c(C(=O)NCc2ccc(N(C)C)cc2)c(=O)[nH]1	39264458	KKHXXSHHHQHOAP-UHFFFAOYSA-N	299.374	1.988	10	20	CDCD	
C[C@@H](CS(C)(=O)=O)NCc1ccc2c(c1)CCO2	78639452	SKDJAGMTUSKYNM-JTQLQIEISA-N	269.366	1.144	10	20	CDCD	
COC(=O)C[C@@H]1CN(Cc2cccc(C)c2O)CCO1	180286850	MGNSNVZXNIDEFT-CYBMUJFWSA-N	279.336	1.465	10	20	CDCD	
Cn1c(-c2ccccc2)cnc1SC[C@H](O)CO	72789957	MTHSELIWGUMDQU-LLVKDONJSA-N	264.350	1.532	10	20	CDCD	
Cc1ccc(C(=O)NC[C@H](O)c2ccsc2)c(O)c1O	182623445	GBZLWQWRIFTLDD-NSHDSACASA-N	293.344	1.931	10	20	CDCD	
C[C@@H](CNC(=O)c1cccc(O)c1O)N1CCC[C@@H](C)C1	186935607	QWSHYBSFYSWEML-NEPJUHHUSA-N	292.379	1.948	10	20	CDCD	
COCCCOCCN(C)Cc1cccc(OC)c1O	181525317	XOHWNMKMLQWHBU-UHFFFAOYSA-N	283.368	1.886	10	20	CDCD	
O=C(CSc1nccs1)NC[C@@H]1CCCO1	47267998	FIKTWGZKSXYBDF-QMMMGPOBSA-N	258.368	1.530	10	20	CDCD	
CN(C)C(=O)CNCc1cccc(Br)c1O	42411892	JXEYHBUUAJYGKJ-UHFFFAOYSA-N	287.157	1.333	10	20	CDCD	
CN1C(=O)C(=Cc2ccc(F)cc2F)C(=O)N(C)C1=O	42912938	PONBXDOWYPIREQ-UHFFFAOYSA-N	280.230	1.399	10	20	CDCD	
Cn1nnc(CSc2ncc(-c3ccccc3)n2C)n1	193074962	CYJNTYLGMUFPDI-UHFFFAOYSA-N	286.364	1.903	10	20	CDCD	
C[C@@H]1CN(Cc2cccc(Br)c2O)CCN1	92457067	MHZPWQRBMPFJGV-SECBINFHSA-N	285.185	1.948	10	20	CDCD	
C[C@]1(CNC(=O)Cc2ccc(N)cc2)CCCNC1	295132232	ORMLSWUTKQKVSW-HNNXBMFYSA-N	261.369	1.317	10	20	CDCD	
O=C1NC(=S)S/C1=C/c1cnc2ccccn12	255116548	OLUWOXQODLOVSV-VMPITWQZSA-N	261.331	1.823	10	20	CDCD	
Cc1ccc([C@@H](C)NC[C@H]2COCCN2)c(O)c1C	530225177	MKKAQYPDPXGSGF-OLZOCXBDSA-N	264.369	1.648	10	20	CDCD	
COC[C@H](NCc1cccc(C)c1O)[C@H]1CCCO1	279386539	JVKSHXKHLAFBAH-UONOGXRCSA-N	265.353	1.984	10	20	CDCD	
COCCCCC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	273154604	ISSBAONKBYPPIR-NSHDSACASA-N	281.352	1.962	10	20	CDCD	
CCOc1ccc(O)c(CN2CCC(O)(COC)CC2)c1	271207211	WQBNANZGASNNCD-UHFFFAOYSA-N	295.379	1.764	10	20	CDCD	
COc1ccc(O)c(CN2CCn3cncc3C2)c1	367940118	BSDNZXAWUDKHHP-UHFFFAOYSA-N	259.309	1.613	10	20	CDCD	
C[C@H]1CN(C(=O)c2c(F)ccc(O)c2O)CCO1	276739961	UWPCJNXOCCWNNK-ZETCQYMHSA-N	255.245	1.098	10	20	CDCD	
CN(C)c1ccc(CNCC2(N3CCOCC3)CC2)cc1	277529050	URYHKZOXFKAIQO-UHFFFAOYSA-N	289.423	1.707	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@@](O)(C2CC2)C1	373251575	XFPAMIFFCXJFKY-MRKPZDFFSA-N	289.331	1.484	10	20	CDCD	
COc1cccc(O)c1CN1C[C@H](C)N(C)[C@H](C)C1	816653610	AOYZPPGHHQJMAN-TXEJJXNPSA-N	264.369	1.925	10	20	CDCD	
CCn1nc(C)c(C(=O)N(C)Cc2ccccc2O)n1	293446212	ROKZAGMCNCURHQ-UHFFFAOYSA-N	274.324	1.584	10	20	CDCD	
C[C@@H]1C[C@@H](N2CCOCC2)CN1C(=O)c1cc(O)cs1	807690495	SZYCGCAMFAVLNO-GHMZBOCLSA-N	296.392	1.389	10	20	CDCD	
CCn1nc(C)c(CNCc2c(O)cccc2OC)n1	818222058	VIPQUIPXPUYAKI-UHFFFAOYSA-N	276.340	1.610	10	20	CDCD	
CNS(=O)(=O)CCN[C@@H](C)c1c(C)cc(C)cc1O	815619236	HHJSGJQEYCEDRI-NSHDSACASA-N	286.397	1.209	10	20	CDCD	
C[C@@H](NC[C@H](N)c1ccc(N(C)C)cc1)[C@H]1CCCCN1	817943857	WAYZRDNYXANXQP-XOKHGSTOSA-N	290.455	1.873	10	20	CDCD	
C[C@@H](NC(=O)CCc1cncnc1)c1ccccc1O	827946704	PJHDJLBOTMFMAM-LLVKDONJSA-N	271.320	1.992	10	20	CDCD	
O=C1C[C@H](C(=O)NCc2ccc(N3CCCCC3)cc2)N1	824262188	SZAWBJPMLVCTPM-CQSZACIVSA-N	287.363	1.182	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1cnc(N)cn1	825943150	ZHTFWXSPGQNWDD-UHFFFAOYSA-N	285.351	1.397	10	20	CDCD	
COC[C@@H]1COCCN1Cc1cc2c(cc1O)CCC2	902563092	JHPBVUDVAWIXLH-OAHLLOKOSA-N	277.364	1.728	10	20	CDCD	
CN(C)c1ccc([C@H](N)CNC(=O)C[C@@H]2CCCO2)cc1	832278446	CDDZTOCQPSWTNH-LSDHHAIUSA-N	291.395	1.438	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)c1ccnc(C2CC2)n1	910954151	IAHVPCHGPFJZIO-UHFFFAOYSA-N	285.303	1.695	10	20	CDCD	
Cc1ccncc1C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1	832273783	QEARLKHMQALLKZ-MRXNPFEDSA-N	298.390	1.886	10	20	CDCD	
C[C@H](NCC[C@@]1(O)CCCOC1)c1ccccc1O	846213830	KTRVIHCSPHPOCK-WFASDCNBSA-N	265.353	1.974	10	20	CDCD	
C[C@H](NC(=O)[C@H]1NC(=O)O[C@@H]1C)c1ccc(N(C)C)cc1	841423043	KPQYHCGOPWPXTJ-CWSCBRNRSA-N	291.351	1.427	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)N[C@@H](C)CN)cc1F	841798380	HBMOXSSDVIRWIV-NSHDSACASA-N	296.390	1.818	10	20	CDCD	
NC1CCN(Cc2cc3c(cc2O)OCO3)CC1	843047714	XLKBRLJVGRUGLW-UHFFFAOYSA-N	250.298	1.044	10	20	CDCD	
Nc1ccc(CCNC(=O)N2CCCC[C@H]2CCO)cc1	841960962	YLPXNJUOQZBULY-HNNXBMFYSA-N	291.395	1.758	10	20	CDCD	
COc1cccc([C@@H](C)NCCCC(=O)N(C)C)c1O	846142966	XKCWILYGJJKZTE-LLVKDONJSA-N	280.368	1.920	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@H]2C[C@H](CO)C2)c1	927148585	SQVPTAUCBHEQEE-NHCYSSNCSA-N	279.336	1.600	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CCN2CC[C@H]1C2	854729356	KRHNPHUMYVWUKJ-KMOQFTEPSA-N	274.320	1.028	10	20	CDCD	
C[C@@H](NC[C@H]1CN(C)CCN1C)c1cc(F)cc(F)c1O	756568397	DRTQIKDJKYSATF-PWSUYJOCSA-N	299.365	1.567	10	20	CDCD	
CCn1cc(CNCc2cc(F)c(N(C)C)cc2F)nn1	858189324	JDDGCECWXOQFCL-UHFFFAOYSA-N	295.337	1.932	10	20	CDCD	
CC[C@@H]1C(=O)NCCN1Cc1cc(F)c(N(C)C)cc1F	862238630	CSGIQKAGTZBOMU-CYBMUJFWSA-N	297.349	1.741	10	20	CDCD	
Oc1cc2c(cc1CN1CCC(F)(F)C1)[C@H](O)CO2	776293819	OGKITCUCUXAUIU-LLVKDONJSA-N	271.263	1.659	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC[C@@H](O)COCC2CC2)c1	775374480	CDJHVMJTEOUXBU-DGCLKSJQSA-N	295.379	1.839	10	20	CDCD	
Cc1n[nH]c(C)c1CCC(=O)NCc1ccc(O)c(O)c1	778913729	BWWJNPGSIJLQME-UHFFFAOYSA-N	289.335	1.687	10	20	CDCD	
COCC[C@H](C)NCc1ccc(N2CCN(C)CC2)cc1	776151408	MKTKJYCDSGBDJU-HNNXBMFYSA-N	291.439	1.953	10	20	CDCD	
O=C(Cn1cc2ccccc2n1)NCc1ccc(O)c(O)c1	778916374	GEJZZSOMRZVNKV-UHFFFAOYSA-N	297.314	1.764	10	20	CDCD	
COc1cccc([C@H](C)N[C@H](CO)C[C@@H]2CCCO2)c1O	886672352	MVMHAEMWTGFFPQ-AVGNSLFASA-N	295.379	1.981	10	20	CDCD	
Cc1ccc(C(=O)N2CCOc3ccncc32)c(O)c1O	780961787	SSWAYODJYCTYGV-UHFFFAOYSA-N	286.287	1.840	10	20	CDCD	
Cc1cc(O)c(CN[C@H]2C(=O)NCC2(C)C)cc1Cl	895321669	OSPMUCGPODINBK-LBPRGKRZSA-N	282.771	1.968	10	20	CDCD	
COc1cc(C)cc(CN[C@@H]2CC(=O)N(C)C2)c1O	894210545	DCBKEROHLVROHI-LLVKDONJSA-N	264.325	1.030	10	20	CDCD	
COC(=O)[C@@H](NCc1ccc2c(c1)CCO2)C1CC1	272865199	FTQDOMLNKOWBPW-AWEZNQCLSA-N	261.321	1.663	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NCCCOCCO)c1	186514016	IOXCPLNUZXDEBD-LLVKDONJSA-N	269.341	1.450	10	20	CDCD	
COc1ccc(CNC(=O)c2ccn(C)c2)c(O)c1	794380629	FVTVHSBDBZKHHX-UHFFFAOYSA-N	260.293	1.669	10	20	CDCD	
CC[C@@]1(O)CCN(C(=O)c2cccc(O)c2O)C1	790944494	ZPTZWOUECBFCOE-CYBMUJFWSA-N	251.282	1.085	10	20	CDCD	
Cc1ccnn1CC(=O)NCc1ccc(N(C)C)cc1	1329979384	MXTJCOJFPGEDAD-UHFFFAOYSA-N	272.352	1.574	10	20	CDCD	
Nc1ccc(CNC2CCN(C[C@H]3CCOC3)CC2)cc1	1336117951	RKOGVEKKYXOZIJ-OAHLLOKOSA-N	289.423	1.859	10	20	CDCD	
C[C@@H](NC(=O)NCc1ccc(N)cc1)[C@H]1CCCNC1	1335535820	AGTQCIAFKZDNAF-YPMHNXCESA-N	276.384	1.456	10	20	CDCD	
Nc1ccc(CCNC(=O)N2C[C@@H]3CCNC[C@@H]3C2)cc1	1338624704	CALSYYBVDWJPIA-UONOGXRCSA-N	288.395	1.062	10	20	CDCD	
COC(=O)[C@H]1CCC[C@H]1NCc1cc2c(cc1O)OCO2	1255733105	LZZVAQXQDUBWQG-WDEREUQCSA-N	293.319	1.552	10	20	CDCD	
Cc1nccn1CCN[C@H](C)c1cc(C(=O)O)ccc1O	1607989743	RNPUULSJRHUQGC-SNVBAGLBSA-N	289.335	1.946	10	20	CDCD	
Cc1cccc(CN2C[C@H](C)O[C@H](C(=O)O)C2)c1O	1607850947	UILLJLKZLCISBG-JQWIXIFHSA-N	265.309	1.375	10	20	CDCD	
CCNC(=O)CCN[C@@H](C)c1ccc(N(C)C)cc1	228324173	BWLVDKBTTFKNKG-LBPRGKRZSA-N	263.385	1.929	10	20	CDCD	
Nc1ncc(CCC(=O)NCc2ccc(O)c(O)c2)s1	1580472610	PVSLGBVXLIZFFG-UHFFFAOYSA-N	293.348	1.386	10	20	CDCD	
CN(C)c1ccc(OCCn2cccn2)cc1C(=O)O	1598328533	RFETWRJPHKMNGM-UHFFFAOYSA-N	275.308	1.726	10	20	CDCD	
C[C@@H](/C=C\C(=O)O)NC(=O)c1ccc(N=NC(N)=O)cc1	1592202505	CZWKJXLOBSKNHZ-LLJQEBTQSA-N	290.279	1.608	10	20	CDCD	
CCCC[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)O	1595634267	CKCKNXLYWOFNIX-BPOWMSRESA-N	293.319	1.871	10	20	CDCD	
Cc1ccc(NC(=O)C(=O)N(C)Cc2ccccc2O)cn1	161047715	JWQCXPNLMJAQGJ-UHFFFAOYSA-N	299.330	1.693	10	20	CDCD	
NC(=O)[C@H]1CCCN1Cc1cc(Br)ccc1O	160305212	YLAJXQDCLYEGEM-SNVBAGLBSA-N	299.168	1.604	10	20	CDCD	
COc1ccc(O)c(CNCCO[C@@H]2CCOC2)c1	897201551	KYHNMIKFZWTZSX-CYBMUJFWSA-N	267.325	1.296	10	20	CDCD	
CCO[C@H]1CCCN(C(=O)Cc2ccc(N)cc2)C1	42408136	WDTSUPTUFQTSRA-AWEZNQCLSA-N	262.353	1.839	10	20	CDCD	
CCN1CCC(CNC(=O)Cc2ccc(N)cc2)CC1	44515086	NDFWYTFIKRDGJP-UHFFFAOYSA-N	275.396	1.659	10	20	CDCD	
O[C@@H]1CCC[C@H]1NCc1ccc(N2CCOCC2)cc1	323329721	VNPLIVRMIVQSQR-HZPDHXFCSA-N	276.380	1.526	10	20	CDCD	
CN1CC[C@H](N(C)Cc2cc(F)cc(F)c2O)C1=O	708398529	GFWGXZXUHGWAPQ-NSHDSACASA-N	270.279	1.333	10	20	CDCD	
C[C@H]1C[C@H](NC(=O)Cc2ccc(N)cc2)CN1C1CC1	178866772	FWRLNXAGBWFDNW-FZMZJTMJSA-N	273.380	1.553	10	20	CDCD	
Cc1cc(O)c(CN2CCC[C@H](OCCO)C2)cc1C	179573883	XLHWHRMZUGUVFS-HNNXBMFYSA-N	279.380	1.982	10	20	CDCD	
COc1cc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)on1	186435062	WSFZBCKSDZLVLX-MRVPVSSYSA-N	292.291	1.455	10	20	CDCD	
COc1ccc(O)c(CNC(=O)Cc2c(C)n[nH]c2C)c1	187094743	MDKGWWMZIUBZQO-UHFFFAOYSA-N	289.335	1.600	10	20	CDCD	
CN(C)c1ccc(CN(C)S(=O)(=O)[C@@H]2CCOC2)cc1	74363119	ZGYUQSUPJOFFOB-CQSZACIVSA-N	298.408	1.303	10	20	CDCD	
Nc1ccc(CC(=O)N[C@@H]2CC23CCNCC3)cc1	368646312	IWJGFTORGHIBAP-CYBMUJFWSA-N	259.353	1.070	10	20	CDCD	
COc1ccc(O)c(CN[C@@H]2C[C@H](O)C2(C)C)c1	129639233	HCCBTFYDJBENHY-OLZOCXBDSA-N	251.326	1.650	10	20	CDCD	
COc1cccc(CNCCC(=O)N2CCCCC2)c1O	134492228	FHWOFXKCMHSJLQ-UHFFFAOYSA-N	292.379	1.893	10	20	CDCD	
COc1cccc(CN2CCC[C@H]2c2nncn2C)c1O	93810186	CZCNPSGIDZIIRV-LBPRGKRZSA-N	288.351	1.866	10	20	CDCD	
CC[C@H](N)C(=O)NCc1ccc(N(C)C)c(F)c1	236914126	ZHHNMLNAEMJXPC-NSHDSACASA-N	253.321	1.245	10	20	CDCD	
CCCNC(=O)CCC(=O)NCCc1ccc(O)c(O)c1	269241657	VTPHCKVKZLDPTQ-UHFFFAOYSA-N	294.351	1.063	10	20	CDCD	
CCCOc1ccc(CN2CC[C@H](O)C2)c(O)c1	271093900	LTNCFEKPDIGKJP-LBPRGKRZSA-N	251.326	1.748	10	20	CDCD	
CC[C@]1(C(=O)NCCc2ccc(N)cc2)CCNC1	378221695	LXUGFXQFXXHNGX-HNNXBMFYSA-N	261.369	1.317	10	20	CDCD	
C[C@@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1O)C(=O)NCCF	282864646	UUQFQUXTZLIHBW-RKDXNWHRSA-N	299.302	1.425	10	20	CDCD	
CC(=O)C(=O)Cn1ccnc1[C@H](O)c1ccccc1	808032377	WKBSFIIHBYSBKJ-CYBMUJFWSA-N	258.277	1.123	10	20	CDCD	
CO[C@@H](CNC(=O)N(C)Cc1ccccc1O)C1CC1	297301034	HQKYTQZKKPMGAP-AWEZNQCLSA-N	278.352	1.959	10	20	CDCD	
C[C@@H](O)CNCc1cc(F)c(N2CCOCC2)c(F)c1	819358291	CGHKKVGYFBRHRT-SNVBAGLBSA-N	286.322	1.272	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@@H]2CCN[C@H](C)C2)c1	817970873	GNAFJKRNKBGUPO-NTZNESFSSA-N	292.379	1.970	10	20	CDCD	
CCCNS(=O)(=O)N[C@@H](C)c1cc(OC)ccc1O	813673411	SFWNQFAFMZQMBA-VIFPVBQESA-N	288.369	1.296	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)CCCCN)c1	828667870	VJBFFXYTGHFAJR-JTQLQIEISA-N	266.341	1.707	10	20	CDCD	
CC(C)N1C[C@@H](NC(=O)c2cc(O)cs2)CC1=O	738525984	FEHYDXSFTXXFCF-QMMMGPOBSA-N	268.338	1.193	10	20	CDCD	
COc1ccc(CNC(=O)[C@H]2C[C@@]23CCNC3)c(O)c1	832178604	TZNDFWZMJYFOSF-IUODEOHRSA-N	276.336	1.017	10	20	CDCD	
Cn1nc(C(=O)Nc2ccc(N)cc2)c2ccccc2c1=O	746478729	WGQAQVMDENQJJM-UHFFFAOYSA-N	294.314	1.768	10	20	CDCD	
COc1cccc([C@H](C)NCC(=O)NCC2CC2)c1O	846164013	UNAQGNCDCPAFQS-JTQLQIEISA-N	278.352	1.578	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)[C@@H]1CCn2cncc2C1	910949292	HRHZZGDAQJWUNK-SNVBAGLBSA-N	287.319	1.173	10	20	CDCD	
COc1ccc(N(C)CCN(C)C[C@@H]2CCC(=O)N2)cc1	844400864	GALMAIWJRXTVMZ-ZDUSSCGKSA-N	291.395	1.342	10	20	CDCD	
CC[C@@H](C(=O)O)C(=O)NCc1ccc(N(C)C)cc1	911118757	AXCMWZQHHXBNRG-GFCCVEGCSA-N	264.325	1.480	10	20	CDCD	
COCCN1C(=O)C2(CC2)N[C@H]1c1ccc(OC)cc1O	840836088	CYCKXZAUBYWONP-CYBMUJFWSA-N	292.335	1.010	10	20	CDCD	
CNC(=O)C[C@@H](C)NC(=O)NCc1cc(C)ccc1O	858521174	ZYKDAVFTFZKTFN-SNVBAGLBSA-N	279.340	1.024	10	20	CDCD	
CN(C)c1cccc(CNC(=O)c2cc(O)cs2)n1	755329429	SLARSNJTSJJNFE-UHFFFAOYSA-N	277.349	1.845	10	20	CDCD	
C[C@@H]1C[C@H]1C(=O)NCc1ccc(N2CCC(O)CC2)cc1	856208017	FYGSMEBZBWXXDT-MLGOLLRUSA-N	288.391	1.920	10	20	CDCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)N[C@@H]1CNCCOC1	925689851	ITUVBGJBMZRQNY-GDBMZVCRSA-N	291.439	1.570	10	20	CDCD	
C[C@@H](N[C@@H](CO)c1cnn(C)c1)c1cc(F)cc(F)c1O	756777169	WJXCEEUBAQBOFZ-OQPBUACISA-N	297.305	1.788	10	20	CDCD	
C=CC(=O)N(C)CC(=O)NCc1ccc(N(C)C)cc1C	859420416	XMUBLTFGRUPDAK-UHFFFAOYSA-N	289.379	1.322	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@@H](C)c2cnn(C)c2)c1	862757658	BBLQXRLHPFVSLO-NSHDSACASA-N	273.336	1.854	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)C1(C)COC1	935949199	VBPQXDLXHRWWSY-UHFFFAOYSA-N	270.325	1.531	10	20	CDCD	
Cc1ccc(C(=O)OCc2cc(C)n(C)n2)c(O)c1O	768014752	ACZRZIJLENICLG-UHFFFAOYSA-N	276.292	1.805	10	20	CDCD	
C[C@@H](NC(=O)NC[C@@H]1CCCO1)c1ccccc1O	864424030	HRFNDUYDBWBDQP-MNOVXSKESA-N	264.325	1.931	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)c1coc(C2CC2)n1	763281902	IBUCPCUEOLNABZ-UHFFFAOYSA-N	288.303	1.936	10	20	CDCD	
CCOC(=O)CC(=O)N[C@H](C)c1ccc(N(C)C)cc1	775403582	PVEBYIWLDLGTHC-LLVKDONJSA-N	278.352	1.883	10	20	CDCD	
COCCN(C)Cc1ccc(N2CCC(O)CC2)cc1	876564835	OZFBSXRPCVXRFI-UHFFFAOYSA-N	278.396	1.726	10	20	CDCD	
C[C@@H](CC(N)=O)NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1	776237531	BKIKDGDHJFKJBA-QWRGUYRKSA-N	292.383	1.377	10	20	CDCD	
CC[C@@H]1CN(CC)CCN1C(=O)NCc1ccc(N)cc1	1120592203	RYBHSLNMIKNVNL-OAHLLOKOSA-N	290.411	1.895	10	20	CDCD	
C[C@@H]1CCC(=O)CN1C(=O)/C=C/c1ccc(O)c(O)c1	885084814	QGQAXXQKYQDLIW-LJJSCBMDSA-N	275.304	1.691	10	20	CDCD	
Cc1nn(C)cc1CCC(=O)NCc1cccc(O)c1O	1123977395	DUCGVGRWDQRXOM-UHFFFAOYSA-N	289.335	1.389	10	20	CDCD	
C[C@H]1CN(CCN[C@H](C)c2ccccc2O)CCO1	783507665	DJLPPFWOJDRNIF-QWHCGFSZSA-N	264.369	1.764	10	20	CDCD	
COc1ccc(CNCC(C)(C)CO)c(O)c1OC	893207708	BHJXUTUAZDJHFW-UHFFFAOYSA-N	269.341	1.518	10	20	CDCD	
COc1ccc(O)c([C@H](C)N[C@@H]2CCCN(C)C2=O)c1	704374477	AADHTQRVPBFIKS-GXFFZTMASA-N	278.352	1.672	10	20	CDCD	
COc1ccc(CNC(=O)c2[nH]ccc2C)c(O)c1	798006417	LDQZBZLPPUJRRE-UHFFFAOYSA-N	260.293	1.967	10	20	CDCD	
COc1ccc(CNC(=O)NCc2ccccn2)c(O)c1	792760827	BZYSLCPEPNYAKV-UHFFFAOYSA-N	287.319	1.795	10	20	CDCD	
CN(C)c1ccc(CNC2(C(N)=O)CCCC2)cc1	785754400	BCBNFRJFBLJWKA-UHFFFAOYSA-N	261.369	1.640	10	20	CDCD	
Oc1cccc(Cl)c1CNCc1nnc2n1CCOC2	1320827100	LAUOSGZSBBMGFX-UHFFFAOYSA-N	294.742	1.457	10	20	CDCD	
C[C@@]1(C(=O)NCc2ccc(O)c(O)c2)CCOC1	1320105619	DBMBNWAEFYHZNV-CYBMUJFWSA-N	251.282	1.141	10	20	CDCD	
CC(C)(C)n1cc(COC(=O)c2cccc(O)c2O)nn1	1327110783	WSHKIRCYVZPNFM-UHFFFAOYSA-N	291.307	1.801	10	20	CDCD	
C[C@@H](NC1CC(CCO)C1)c1cc(C(=O)O)ccc1O	1604328218	DBOZOHXXCJSKOL-GRZMOONWSA-N	279.336	1.902	10	20	CDCD	
COc1cc(C)c(CN2CC[C@@H](CCN)C2)c(O)c1	1579145341	YGDBUZCXWYNRFK-GFCCVEGCSA-N	264.369	1.880	10	20	CDCD	
C[C@@H]1C[C@@H]1[C@@H](NCc1cc(F)cc(F)c1O)C(=O)O	1776602726	VEBHAGKTUUBUJN-OUAIYISWSA-N	271.263	1.869	10	20	CDCD	
CO[C@]1(CNCc2ccc3c(c2)CCCO3)CCOC1	921999170	IQIPZOCCALYBSY-INIZCTEOSA-N	277.364	1.907	10	20	CDCD	
CC1(C)CNCC[C@@H]1NC(=O)Cc1ccc(N)cc1	834858834	XNYZQMQPLSPOGT-ZDUSSCGKSA-N	261.369	1.316	10	20	CDCD	
NC(=O)COc1cccc(NCc2ccccc2O)c1	37062237	SQBYSEXTSBIFRF-UHFFFAOYSA-N	272.304	1.868	10	20	CDCD	
C[C@@H](NCc1cnnn1C)c1ccc(N(C)C)cc1	274807140	PQHMFGZALPAPBT-LLVKDONJSA-N	259.357	1.732	10	20	CDCD	
C[S@](=O)C1(CNCc2ccc3c(c2)CCO3)CC1	282279910	IBVHNQRNXCEXQY-SFHVURJKSA-N	265.378	1.622	10	20	CDCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2NC[C@]1(O)CCOC1	300419461	WZHLHSKQORVMIY-XHBSWPGZSA-N	277.364	1.990	10	20	CDCD	
CN(C)c1ccc(CNCCc2cnccn2)cc1	390219400	PQRMLTDRNANOLE-UHFFFAOYSA-N	256.353	1.875	10	20	CDCD	
Cc1cccc(O)c1CN1CCSC[C@@H](C(=O)O)C1	1600543415	VKHVYLXIJSOMJW-NSHDSACASA-N	281.377	1.950	10	20	CDCD	
C[C@@]1(NCc2cc3c(cc2O)OCO3)CCOC1	120243018	WQELNKCMRRKLNP-CYBMUJFWSA-N	251.282	1.390	10	20	CDCD	
CCC[C@@]1(C)C(=O)NCCN1Cc1cc(OC)ccc1O	189032995	UXTDIWDUDHXFMZ-INIZCTEOSA-N	292.379	1.891	10	20	CDCD	
CCOC(=O)NCCCC(=O)N(C)Cc1ccccc1O	124584968	QUNHFYCKSWHPMC-UHFFFAOYSA-N	294.351	1.877	10	20	CDCD	
C[C@H](N[C@@H](C)c1ccc(F)c(F)c1O)C(=O)N(C)C	188993741	ABQMPONYKFCXAU-YUMQZZPRSA-N	272.295	1.798	10	20	CDCD	
COc1ccc(N2CCN(CC(=O)OC(C)C)CC2)cc1	49800676	NWLVFHYEBYKXDJ-UHFFFAOYSA-N	292.379	1.769	10	20	CDCD	
COc1ccc(O)c(CN2CC[C@@H](C)[C@H]2CO)c1	191181259	IHPQFXDYBIKFGK-ZWNOBZJWSA-N	251.326	1.604	10	20	CDCD	
Cc1ccc(C(=O)NCCCCCO)c(O)c1O	193362514	ZPNVKQBEERCQJW-UHFFFAOYSA-N	253.298	1.299	10	20	CDCD	
CCCOc1ccc(CN2CC[C@@H](CO)C2)c(O)c1	92764410	OCQFVQXARGAINP-GFCCVEGCSA-N	265.353	1.995	10	20	CDCD	
OCCCCN(Cc1cc2c(cc1O)OCO2)C1CC1	93383308	FZSSSBJGQZUIJY-UHFFFAOYSA-N	279.336	1.858	10	20	CDCD	
C[C@@H](CCO)CN[C@@H](C)c1cc([N+](=O)[O-])ccc1O	273601718	SATVHAFKQWMBSM-UWVGGRQHSA-N	268.313	1.970	10	20	CDCD	
C[C@@H](NCC(C)(C)C(N)=O)c1cc([N+](=O)[O-])ccc1O	273497075	PIEJMJDJQGYVQI-MRVPVSSYSA-N	281.312	1.463	10	20	CDCD	
Cc1cc(NS(=O)(=O)c2cn(C)cn2)c(C)c(C)c1O	274788062	LWGRHELPFJVVML-UHFFFAOYSA-N	295.364	1.852	10	20	CDCD	
CC[C@@H](NCc1nncn1C)c1ccc(F)cc1O	285703324	PFHDVTCDQLBCAA-LLVKDONJSA-N	264.304	1.901	10	20	CDCD	
Cc1ccc(O)c(CNC[C@@H](CO)[C@H]2CCOC2)c1	280305118	NYXFYEVFMVBJKY-JSGCOSHPSA-N	265.353	1.435	10	20	CDCD	
COc1cccc(CNC(=O)N[C@@H](C)CN(C)C)c1O	288116216	VXUBPDJAXACTST-JTQLQIEISA-N	281.356	1.150	10	20	CDCD	
CC(C)[C@@H](N)C(=O)NCc1ccc(N(C)C)c(F)c1	292489689	ODRLWWYQSSLBCY-CYBMUJFWSA-N	267.348	1.491	10	20	CDCD	
Oc1cccc2c1[C@H](NC[C@@H]1CN3CCC[C@@H]3CO1)CC2	386753992	FAAGUCOJEFLZBH-RBSFLKMASA-N	288.391	1.832	10	20	CDCD	
Cc1nccn1CCNC(=O)NCc1ccccc1O	299552562	XWYZQFFVBNBRFP-UHFFFAOYSA-N	274.324	1.397	10	20	CDCD	
COC[C@@H](O)CNC[C@H]1CCN(c2ccc(OC)cc2)C1	819379361	GEXNWTBDJXOBGW-HIFRSBDPSA-N	294.395	1.118	10	20	CDCD	
CC[C@H](NC[C@@H](N)c1ccc(N(C)C)cc1)[C@@H]1CCCN1	817940699	GWNYWVVTAPYWBD-IKGGRYGDSA-N	290.455	1.873	10	20	CDCD	
C[C@@H](CN)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	827725947	QPAVGMUXAKTLNZ-STQMWFEESA-N	291.395	1.295	10	20	CDCD	
COC(=O)CC1(NC(=O)c2cc(O)cs2)CCOCC1	829729931	KTWRGUWFOSUKRU-UHFFFAOYSA-N	299.348	1.296	10	20	CDCD	
CN1CCCc2cc(CNC(=O)c3ccc(N)cn3)ccc21	827913729	JJSISZMVRYEHEV-UHFFFAOYSA-N	296.374	1.976	10	20	CDCD	
Cc1ncccc1/C=C1\SC(=S)N(CC(=O)O)C1=O	728910196	NEDAIWPKDGAVAN-UITAMQMPSA-N	294.357	1.676	10	20	CDCD	
CCOC(=O)N1CCN(C(=O)c2cc(O)cs2)CC1	731867157	XONUJQRNQAVAFY-UHFFFAOYSA-N	284.337	1.368	10	20	CDCD	
C[C@H]1CCCN1S(=O)(=O)Nc1ccc(O)c(F)c1F	830184473	HWDOUOCUMAHEGY-ZETCQYMHSA-N	292.307	1.811	10	20	CDCD	
COc1cccc(O)c1CN1CC(OCC(F)F)C1	839137326	DABVWWNPXLQPSQ-UHFFFAOYSA-N	273.279	1.867	10	20	CDCD	
COc1cc(O)c(CN2CCC[C@@H]2CC(=O)O)cc1OC	833728594	IEFZETNMQKKTKP-LLVKDONJSA-N	295.335	1.849	10	20	CDCD	
CC(C)c1ncncc1C(=O)NCc1ccc(O)cc1O	910951135	CJEWVEXSFRBRST-UHFFFAOYSA-N	287.319	1.941	10	20	CDCD	
C[C@H](N)CNC(=O)NCCCSc1nccs1	841855917	DERGQXFBHLSWLG-QMMMGPOBSA-N	274.415	1.272	10	20	CDCD	
COC1(C(=O)NCc2cc(Cl)ccc2O)CCOCC1	846476609	NSDPRPHKBRYRGX-UHFFFAOYSA-N	299.754	1.857	10	20	CDCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cnn[nH]1	919849367	FBJYGUPLZYQTPD-UHFFFAOYSA-N	287.367	1.922	10	20	CDCD	
COCCN(C[C@H]1CCNC1)c1ccc(OC)c(OC)c1	843359234	OAMCIECGSDZSSC-ZDUSSCGKSA-N	294.395	1.766	10	20	CDCD	
CC(C)OC(=O)[C@@H](C)CNC(=O)Nc1ccc(N)cc1	841300119	NYUMQIDFTIEXCU-JTQLQIEISA-N	279.340	1.978	10	20	CDCD	
COC(=O)C1(C(=O)COC(=O)c2cc(O)cs2)CC1	848718212	JYGXOXJYFOREPS-UHFFFAOYSA-N	284.289	1.133	10	20	CDCD	
COc1ccc(CN[C@H](CO)[C@@H]2CCCOC2)cc1C	840962926	OFAIIKXXJPZSNS-HUUCEWRRSA-N	279.380	1.881	10	20	CDCD	
NCCN(Cc1ccccc1O)C[C@@H]1CCCO1	842471277	SQLPJKPZFCKURT-ZDUSSCGKSA-N	250.342	1.332	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2C[C@@H](CN)C[C@H]2C)c1O	843362685	NPFXUSHNUFQARO-MWLCHTKSSA-N	280.343	1.903	10	20	CDCD	
C[C@@H](CNC(=O)c1cccc(O)c1O)C(=O)OC(C)(C)C	848310216	WIQZXGSXLTXROE-VIFPVBQESA-N	295.335	1.805	10	20	CDCD	
CCOc1ccc(CNCC(F)(F)CN)c(O)c1	841059436	DHUVDQYGNRGKAO-UHFFFAOYSA-N	260.284	1.475	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)[C@@](C)(O)COC)cc1	754991264	SKBYYVUKGSEGDM-INIZCTEOSA-N	294.395	1.546	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1C[C@H](N)C1	852870476	CPXFKVXMDHERHY-JOCQHMNTSA-N	261.369	1.415	10	20	CDCD	
COc1ccc(CNC(=O)[C@@H](C(=O)O)C(C)(C)C)c(O)c1	852942729	MGEUDGXSDLWZDY-LBPRGKRZSA-N	295.335	1.764	10	20	CDCD	
Cc1onc(CO)c1C(=O)NCc1cc(Cl)ccc1O	857548060	BQAUABBKRLWAJQ-UHFFFAOYSA-N	296.710	1.764	10	20	CDCD	
COc1ccc(O)c(CNC(=O)NC2CC(C)C2)c1	752966225	PRRQOHMXRSIGDF-UHFFFAOYSA-N	264.325	1.999	10	20	CDCD	
c1cc2c(cc1CNCc1nnnn1CC1CC1)CCCO2	922006147	DJSXYKMYKXTPER-UHFFFAOYSA-N	299.378	1.698	10	20	CDCD	
COC(=O)c1cc(/C=C2\SC(=S)NC2=O)c[nH]1	753132660	IDCWZNILLYNPSF-CLTKARDFSA-N	268.319	1.290	10	20	CDCD	
CC[C@H](OC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)OC	759588147	JFVNWKUJDFRMLS-HWPRWLFBSA-N	280.276	1.606	10	20	CDCD	
Cc1ncc(S(=O)(=O)N[C@H](C)c2ccccc2O)n1C	867835388	YHDMZLVMSJIZPF-SECBINFHSA-N	295.364	1.474	10	20	CDCD	
CCC[C@H](CCO)NC(=O)/C=C\c1ccc(O)c(O)c1	869866084	CVROITKHZOKIOJ-SMYYYNMVSA-N	279.336	1.778	10	20	CDCD	
CN1CC[C@@](O)(CNCc2ccc(N(C)C)c(F)c2)C1	762569265	RKDXKVFAEUJXPM-OAHLLOKOSA-N	281.375	1.048	10	20	CDCD	
Cn1nnc2c1C[C@@H](C(=O)Nc1ccc(N)cc1)CC2	876503771	FBZGZIDNBHAGEY-VIFPVBQESA-N	271.324	1.141	10	20	CDCD	
COc1cc(Cl)cc(CN2CC(C)(O)C2)c1O	877581262	SUIWKCWYRDXIIE-UHFFFAOYSA-N	257.717	1.621	10	20	CDCD	
C[C@@H](Cn1ccnc1)NC(=O)/C=C\c1ccc(O)c(O)c1	779499489	IBYIECNAWUNCPQ-MZBZXASESA-N	287.319	1.512	10	20	CDCD	
C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1cnn(C)c1	779483745	FZPSAWSDOQXVIW-DFVUYQKZSA-N	287.319	1.722	10	20	CDCD	
Cc1ncc(CNCc2ccc(C(=O)O)cc2O)n1C	1777530686	HMAUFMVVIMMIFI-UHFFFAOYSA-N	275.308	1.422	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2CC[C@H](O)[C@@H](C)C2)c1O	775091177	WIPRUSNZBGFJAW-CABZTGNLSA-N	296.323	1.512	10	20	CDCD	
COC(=O)CCN(CC(=O)O)Cc1cccc(C)c1O	883519920	HSHXUZYVAYCOAU-UHFFFAOYSA-N	281.308	1.150	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)c1cnc2[nH]cnc2c1	778919050	ZQPBZYLWDMIMTK-UHFFFAOYSA-N	284.275	1.299	10	20	CDCD	
COCCOC[C@H](C)NCc1cc(F)cc(F)c1O	883019087	ZRNKLESOXQBMQH-VIFPVBQESA-N	275.295	1.812	10	20	CDCD	
COc1ccc(CN2CC[C@@](C)(O)C2)c(O)c1OC	892186547	XYDKZEXTDDGICP-CQSZACIVSA-N	267.325	1.366	10	20	CDCD	
COc1ccc(CNC[C@@H](CO)CC2CC2)c(O)c1OC	895395757	BUKIPGBHDHCHPJ-LBPRGKRZSA-N	295.379	1.908	10	20	CDCD	
CCON(C)C(=O)NCc1ccc(N(C)C)cc1	780700257	LZDACBZBNTVQOJ-UHFFFAOYSA-N	251.330	1.846	10	20	CDCD	
C[C@H](NCc1ccc2c(c1)CCO2)c1ncnn1C	276613280	DLIYQTFCNHCTON-JTQLQIEISA-N	258.325	1.601	10	20	CDCD	
CSCC[C@H](O)C(=O)NCc1ccc(N(C)C)cc1	270801891	ZVJJTFITCCPFCH-ZDUSSCGKSA-N	282.409	1.483	10	20	CDCD	
CCCN1CC(=O)N[C@@H]1c1ccc(OC)c(OC)c1O	899378494	QKQZBWNUVFBWPZ-AWEZNQCLSA-N	280.324	1.250	10	20	CDCD	
COc1cc(Cl)cc(CN2C[C@@H](C)[C@@H](O)C2)c1O	897681482	VWFSETCYZZBRGY-KCJUWKMLSA-N	271.744	1.867	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@H]2CCC[C@@H]2N)cc1	85370916	ZYEDYIAADWULRO-KGLIPLIRSA-N	261.369	1.496	10	20	CDCD	
CC[C@H]1COCCN1C(=O)NCc1ccc(N)cc1	1338793453	PQWLYRGPXJGPIS-ZDUSSCGKSA-N	263.341	1.589	10	20	CDCD	
C[C@@H](NC[C@@H]1CN(C)C(=O)O1)c1ccc(N(C)C)cc1	1347648640	UKFBUWPWSFXVHR-BXUZGUMPSA-N	277.368	1.854	10	20	CDCD	
CC(C)(O)[C@H](N)C(=O)NCc1ccc(N2CCCC2)cc1	1263096202	KFTNUMPDLKXEKF-CQSZACIVSA-N	291.395	1.001	10	20	CDCD	
O=C(COC1CCCC1)NCc1cccc(O)c1O	1520501539	DBAABGQTRZEYLK-UHFFFAOYSA-N	265.309	1.673	10	20	CDCD	
CC(C)[C@H](NC(=O)CN(C)Cc1ccccc1O)C(=O)O	1609716146	XAVJZQDUMDLFRO-AWEZNQCLSA-N	294.351	1.049	10	20	CDCD	
Cc1ccc(O)c(CNc2nnccc2-c2nn[nH]n2)c1	1605875528	IECCBLAOIAXANY-UHFFFAOYSA-N	283.295	1.283	10	20	CDCD	
CCNS(=O)(=O)CCN[C@@H](C)c1ccc(C)cc1O	230666920	DUBJBPZGNRHFIT-NSHDSACASA-N	286.397	1.291	10	20	CDCD	
C[C@H]1[C@@H](O)CCN1c1ccc(/C=C/C(=O)O)cc1[N+](=O)[O-]	1599937313	VXNXGPUSBBGISR-NXOHGQNRSA-N	292.291	1.652	10	20	CDCD	
COc1ccc(N2CCC(NC(=O)[C@H](C)N)CC2)cc1	167238715	RNJYTBLBCFESBV-NSHDSACASA-N	277.368	1.127	10	20	CDCD	
CCN(CC)c1ccc(CN2CC[C@@H](C(N)=O)C2)cc1	157210309	KNCCNDADIWXCCK-CQSZACIVSA-N	275.396	1.840	10	20	CDCD	
COc1cc(Cl)cc(CN2CC[C@@](C)(C(N)=O)C2)c1O	234915183	IYPWABMOQZDZKB-CQSZACIVSA-N	298.770	1.752	10	20	CDCD	
COc1ccc(N(C)CC(=O)NC2CCOCC2)cc1	844352899	BYVJBOAJBZHMMR-UHFFFAOYSA-N	278.352	1.427	10	20	CDCD	
CCc1cccc(CN2CC[C@H](C(=O)N(C)C)C2)c1O	848916733	LQWDUIZQYGICMM-AWEZNQCLSA-N	276.380	1.865	10	20	CDCD	
CC(C)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	34822964	LAQBDXKCWINPNW-CQSZACIVSA-N	275.396	1.886	10	20	CDCD	
OCCOCCNCc1ccc(N2CCCC2)cc1	37239932	PMFOOROVBHTASI-UHFFFAOYSA-N	264.369	1.385	10	20	CDCD	
Nc1ccc(CC(=O)N[C@@H]2CCC[C@@H]3OCC[C@@H]32)cc1	163109842	VXLLPVVEJUPFCJ-KFWWJZLASA-N	274.364	1.885	10	20	CDCD	
COc1cccc(CNCCc2nnc(C)s2)c1O	289844587	NKWDTHYXYRCQTF-UHFFFAOYSA-N	279.365	1.893	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NCCC[S@@](C)=O)cc1	116963156	CNKKIJHAASYYED-FQEVSTJZSA-N	297.424	1.320	10	20	CDCD	
CNC(=O)CCN(Cc1ccccc1O)C[C@@H]1CCCO1	111232895	NJFWSFXJWNQDBF-AWEZNQCLSA-N	292.379	1.509	10	20	CDCD	
CN(Cc1cc(F)ccc1O)[C@@H]1CCS(=O)(=O)C1	179866365	YNASPDCAQHADQE-LLVKDONJSA-N	273.329	1.150	10	20	CDCD	
CCOc1cccc([C@@H]2NC(=O)CN2CC(C)C)c1O	77474209	VWALLCYTJOJVLU-OAHLLOKOSA-N	278.352	1.877	10	20	CDCD	
Cc1nnc(C(=O)N(C)Cc2ccccc2O)s1	183331408	RGGDRBUDPCVBCG-UHFFFAOYSA-N	263.322	1.824	10	20	CDCD	
CC(=O)N1CC[C@H](CN(C)Cc2cc(F)ccc2O)C1	180288196	GKJAEWCJNCJWTO-GFCCVEGCSA-N	280.343	1.832	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2cc(C)on2)c1	77615035	IYNSAWOXUKCAQO-UHFFFAOYSA-N	262.265	1.627	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@H]1CCn2cncc2C1	135970954	XNNQRVSCNAOUCG-LBPRGKRZSA-N	285.347	1.810	10	20	CDCD	
CN(C)c1ccc(CN2CCC3(C2)OCCO3)cc1	93012784	XIWNCRZKKBCEAO-UHFFFAOYSA-N	262.353	1.701	10	20	CDCD	
COc1ccc(N2CCN(C(=O)CCCN)CC2)cc1F	237280299	CQUFBALRBAJYRV-UHFFFAOYSA-N	295.358	1.222	10	20	CDCD	
Cc1ccc(C(=O)N2CC(C(C)(C)O)C2)c(O)c1O	275664138	RGRDCVYBGVFHMT-UHFFFAOYSA-N	265.309	1.249	10	20	CDCD	
COc1cccc(CN(C)C[C@@H]2CCC[C@H]2O)c1O	271277873	OUUSADQMXYOIEU-WCQYABFASA-N	265.353	1.994	10	20	CDCD	
COc1cccc(CN(C)CCCCCO)c1O	279362500	HFQKAHHGCIQNOB-UHFFFAOYSA-N	253.342	1.995	10	20	CDCD	
COc1cc(O)c(CNCc2cc(C)nn2C)cc1OC	284392545	PGAGKXIIFSNHQC-UHFFFAOYSA-N	291.351	1.741	10	20	CDCD	
CN(C)c1ccc(CNC(=O)C(=O)c2ccc(O)cc2)cc1	806317338	FYTRDFHWZHGQEP-UHFFFAOYSA-N	298.342	1.957	10	20	CDCD	
CCO[C@@H]1C[C@H]1C(=O)NCc1ccc(N(C)C)cc1	298673685	VJRLMERJDIRZSZ-ZIAGYGMSSA-N	262.353	1.794	10	20	CDCD	
OC[C@]1(F)CCN(Cc2cc3c(cc2O)OCO3)C1	802660369	JQKAPWSJXBSONW-ZDUSSCGKSA-N	269.272	1.027	10	20	CDCD	
C[C@@H](NCCN)c1ccc(Br)cc1O	817934965	ROVMBJSGZXZTPV-SSDOTTSWSA-N	259.147	1.764	10	20	CDCD	
OC[C@@H]1C[C@@H](O)CN1Cc1cc(Cl)c(F)cc1O	816573493	AHIDTYICQFBRMD-DTWKUNHWSA-N	275.707	1.112	10	20	CDCD	
C[C@H]1CO[C@H](CO)CN1Cc1cc(Cl)c(F)cc1O	816521114	HIFUQUHEHLTSSH-WPRPVWTQSA-N	289.734	1.766	10	20	CDCD	
CCOC(=O)[C@H](F)C1CN(Cc2c(O)cccc2OC)C1	816635632	RNPRQEQCLFEWBF-CQSZACIVSA-N	297.326	1.734	10	20	CDCD	
CCOc1ccc(N(C)C[C@H](O)Cn2cccn2)cc1	739922325	HHIUJBQQNDDXCH-AWEZNQCLSA-N	275.352	1.779	10	20	CDCD	
CC(C)C[C@H]1C(=O)NCCN1C(=O)Cc1ccc(N)cc1	831975213	KMCWFPRQHCYHIY-AWEZNQCLSA-N	289.379	1.184	10	20	CDCD	
COc1cc(O)c(CNC[C@@H]2CCCCN2)cc1OC	841033035	MWVKSTKJGZQLTI-LBPRGKRZSA-N	280.368	1.641	10	20	CDCD	
CN1C(=O)C2(CCCC2)N[C@@H]1c1cc2c(cc1O)OCO2	742439117	IIJPPZZVFXLIDU-ZDUSSCGKSA-N	290.319	1.494	10	20	CDCD	
CCC(CC)[C@@H](O)CNC(=O)NCCc1ccc(N)cc1	841955844	PMQSFPJOMDRUGU-HNNXBMFYSA-N	293.411	1.908	10	20	CDCD	
C[C@H]1CNCCN1Cc1cccc(Br)c1O	843048044	JYSREGQTSCLXIN-VIFPVBQESA-N	285.185	1.948	10	20	CDCD	
CC(C)CSCCNC(=O)C(=O)Nc1ccc(N)cc1	841074127	BSSSDIYYQXLIJX-UHFFFAOYSA-N	295.408	1.713	10	20	CDCD	
CCS(=O)(=O)CCN(C)Cc1ccc(N(C)C)cc1C	840916424	KMEOVGRPLPZUEB-UHFFFAOYSA-N	298.452	1.928	10	20	CDCD	
O=[N+]([O-])c1ccc(O)c(CNC[C@@H](CO)CC2CC2)c1	850386153	GMXDILDHNBXVGI-NSHDSACASA-N	280.324	1.799	10	20	CDCD	
CN(CCn1ccccc1=O)c1ccc2c(c1)OCO2	756654144	IFNOHGCBOOWDCW-UHFFFAOYSA-N	272.304	1.713	10	20	CDCD	
O=C1NC2(CCN(C(=O)c3cc(O)cs3)CC2)CO1	753504837	KBDYCTUZNIPSHM-UHFFFAOYSA-N	282.321	1.168	10	20	CDCD	
COC(=O)C(C)(C)CNC(=O)c1cc(O)cs1	757437528	MPBHRJAFAPRFAU-UHFFFAOYSA-N	257.311	1.383	10	20	CDCD	
COC(=O)N(C)CCNCc1cc(C)c(C)cc1O	850389939	LLBLEXXKYHLWJS-UHFFFAOYSA-N	266.341	1.797	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2c(O)cccc2O)c1	756764119	FPKNFSVICHTYKS-UHFFFAOYSA-N	289.287	1.742	10	20	CDCD	
COCCN(C(=O)Nc1ccc(N)cc1)C1CCOCC1	868163453	PHWBXVWEFRQRAE-UHFFFAOYSA-N	293.367	1.928	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc(O)nc1	935947282	VMRMKVOKUKPZRB-UHFFFAOYSA-N	293.319	1.909	10	20	CDCD	
C[C@H](O)C[C@H]1CCCN1Cc1cc2c(cc1O)OC[C@@H]2O	768462079	IVLLOPSHIPMIOK-NVBFEUDRSA-N	293.363	1.553	10	20	CDCD	
COCCCNC(=O)NCc1cc(C)ccc1O	864395784	CDBWCGJPPHVQCG-UHFFFAOYSA-N	252.314	1.536	10	20	CDCD	
Cc1cccc(O)c1CNC[C@]1(O)CCSC1	877082639	ZWJIXHUDCUTLFC-CYBMUJFWSA-N	253.367	1.658	10	20	CDCD	
COc1cccc(CN2CCN(C)[C@H](C)[C@@H]2C)c1O	775983095	BBZBYQPOLZVXJF-NEPJUHHUSA-N	264.369	1.925	10	20	CDCD	
CC[C@@H]1C(=O)NCCN1Cc1ccc(N(C)CC)cc1	773752632	IOJXZSDWLGEBLE-OAHLLOKOSA-N	275.396	1.853	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NCCCC(=O)NC(N)=O)c1	775365593	WTDGWBIMMBPASK-SECBINFHSA-N	295.339	1.027	10	20	CDCD	
CCOCCOCCNC(=O)c1ccc(C)c(O)c1O	885758302	JLTGNEQFJWBVJY-UHFFFAOYSA-N	283.324	1.189	10	20	CDCD	
O=C(COC(=O)c1ccc(F)nc1)c1ccc(O)c(O)c1	785629674	KCKPQQQJADQIQA-UHFFFAOYSA-N	291.234	1.672	10	20	CDCD	
C[C@H](NCc1nnn(C)n1)c1cc2c(cc1O)CCCC2	787042989	RFFDFMKHSGKLDX-JTQLQIEISA-N	287.367	1.645	10	20	CDCD	
Cc1nccc(C(=O)OCC(=O)c2ccc(O)c(O)c2)n1	783064473	TWCQVOUBSSFHTI-UHFFFAOYSA-N	288.259	1.236	10	20	CDCD	
COCc1nccc(NCc2cc(OC)ccc2O)n1	892532196	KOSDVPVPLBLXIL-UHFFFAOYSA-N	275.308	1.949	10	20	CDCD	
COC(=O)[C@](C)(CO)NCc1cccc(Cl)c1O	894975501	OHARAOYEZYLIFX-LBPRGKRZSA-N	273.716	1.059	10	20	CDCD	
COc1ccc(O)c(CNC2CCS(=O)CC2)c1	157950366	CYVCWPXFOOMHMQ-UHFFFAOYSA-N	269.366	1.402	10	20	CDCD	
CN(Cc1ccccc1O)C[C@@H]1CCS(=O)(=O)C1	272287939	NTHOJQWQJMMZKZ-NSHDSACASA-N	269.366	1.259	10	20	CDCD	
COc1ccc(CNC(=O)c2snnc2C)c(O)c1	794384176	WPCLXCVCEBTGTG-UHFFFAOYSA-N	279.321	1.491	10	20	CDCD	
COCCOC[C@@H](C)NCc1cc(C)cc(OC)c1O	894307860	NMPLUIXFQHRUAU-GFCCVEGCSA-N	283.368	1.850	10	20	CDCD	
O=C(COC(=O)C1CCC(O)CC1)c1ccc(O)c(O)c1	795644527	KVBACADMDPUJJV-UHFFFAOYSA-N	294.303	1.375	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)c1ccc(O)nc1	193987500	VQLRVYUWDYCVAA-UHFFFAOYSA-N	274.276	1.171	10	20	CDCD	
CCOC(=O)C[C@@H](C)CNC(=O)c1cccc(O)c1O	790911193	ORWPKCFWKOZVPO-SECBINFHSA-N	281.308	1.417	10	20	CDCD	
CN(CC1CCS(=O)(=O)CC1)c1ccc(N)cc1	692931826	UBYXSJUSNSPLCO-UHFFFAOYSA-N	268.382	1.530	10	20	CDCD	
CN1CCN(Cc2cc3c(cc2O)OC[C@@H]3O)CC1(C)C	1331036994	QTFYRGHOFVPMLX-AWEZNQCLSA-N	292.379	1.344	10	20	CDCD	
CCC[C@H](CCO)CNC(=O)NCc1ccc(N)cc1	1335737422	PKJJYFMWSQKMSM-GFCCVEGCSA-N	279.384	1.867	10	20	CDCD	
CC(C)[C@H](CCO)NC(=O)NCc1ccc(N)cc1	1335736481	ASFYAOPTGKBPOE-ZDUSSCGKSA-N	265.357	1.475	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@]2(F)CCOC2)c1	1346447059	MKIIXHUWQRLKRE-XPTSAGLGSA-N	283.299	1.707	10	20	CDCD	
COc1ccc(CNC[C@H](O)C(C)C)c(O)c1OC	1351998319	RDKMXQGGEKAMFT-NSHDSACASA-N	269.341	1.516	10	20	CDCD	
O=C(O)C[C@H](NCc1ccc2c(c1)CCCO2)C(=O)O	1352148233	WIYBTDVNYUQSNJ-NSHDSACASA-N	279.292	1.029	10	20	CDCD	
CC(C)Oc1ccc(N(C)CC(=O)NCC(=O)O)cc1	1609714075	CGIWDGJXTJPGRR-UHFFFAOYSA-N	280.324	1.111	10	20	CDCD	
Cc1cccc(CN[C@@H](CC(F)F)C(=O)O)c1O	1600532231	LHBKZGYNTWFQRP-VIFPVBQESA-N	259.252	1.899	10	20	CDCD	
Nc1ccc(CNC(=O)NCc2nc(C(F)F)no2)cc1	1580445491	GPWXTKDGQNXBDQ-UHFFFAOYSA-N	297.265	1.589	10	20	CDCD	
C[C@@H](NC1CCN(CC(=O)O)CC1)c1ccc(F)cc1O	1589124185	RIWPFOYBWSESJZ-SNVBAGLBSA-N	296.342	1.731	10	20	CDCD	
COc1cc(C(=O)O)ccc1/C=C1/SC(=S)NC1=O	1777268077	YTBPRMNWJIAPRN-WEVVVXLNSA-N	295.341	1.882	10	20	CDCD	
COC[C@@H](NCc1c(O)ccc(Cl)c1F)C(=O)O	1777184616	GFQIAKJKROMTPS-MRVPVSSYSA-N	277.679	1.374	10	20	CDCD	
CN(C)c1ccc(CNC(=O)/C=C/c2cnn(C)c2)cc1	16501616	PTIOAPGOGCVSSG-RMKNXTFCSA-N	284.363	1.816	10	20	CDCD	
COc1ccc(O)c([C@H](C)N[C@@H](C)C[S@](C)=O)c1	168867799	CRCXFTRKWGOHBI-LXIMFEHMSA-N	271.382	1.818	10	20	CDCD	
CCO[C@@H]1CCCN(C(=O)c2cccc(O)c2O)C1	126329365	CEZDTCOTDHADDU-SNVBAGLBSA-N	265.309	1.739	10	20	CDCD	
CCCN(CC[S@@](C)=O)Cc1ccccc1O	827938812	SZWICXARWFZZMK-QGZVFWFLSA-N	255.383	1.983	10	20	CDCD	
Nc1ccc(CC(=O)N2CCC3(CCNC3)CC2)cc1	831710933	CPXOFSVXUZLDCF-UHFFFAOYSA-N	273.380	1.413	10	20	CDCD	
Cc1nn(C)c(C)c1C(=O)NCc1ccc(N)cc1	37666308	AAKWNXDPZKQURQ-UHFFFAOYSA-N	258.325	1.549	10	20	CDCD	
COc1cc(Cl)cc(CN2CCO[C@@H](CN)C2)c1O	164662145	PJXCNLJTYPDHFD-NSHDSACASA-N	286.759	1.214	10	20	CDCD	
COCC[C@](C)(O)CN[C@@H]1CCc2cccc(O)c21	297823351	RLNAPYRXOLTZEF-DOMZBBRYSA-N	265.353	1.757	10	20	CDCD	
CN(C)c1ccc(CNCC2(O)CCOCC2)cc1	112716999	JAJBQWZNFLTCAT-UHFFFAOYSA-N	264.369	1.384	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)COC(C)(C)C	186431409	AMAHUWCHMKRAPE-SNVBAGLBSA-N	281.352	1.960	10	20	CDCD	
Cc1ccc(C(=O)NC[C@@H]2CCC[C@H](O)C2)c(O)c1O	182496846	UYTXDCGQYAZLAD-MNOVXSKESA-N	279.336	1.687	10	20	CDCD	
COc1ccc(O)c(CNCCc2nnc3ccccn23)c1	314265454	ZGHXEXOZPTYTFL-UHFFFAOYSA-N	298.346	1.776	10	20	CDCD	
NC(=O)c1cc(NC(=O)Cc2ccc(N)cc2)ccc1F	37026618	RYDOSWJSMSLJNS-UHFFFAOYSA-N	287.294	1.688	10	20	CDCD	
O=C(NCc1ccc(N2CCOCC2)cc1)C1CCC1	48944305	LMTTWEHSHCTKOV-UHFFFAOYSA-N	274.364	1.940	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NOC[C@H]2CCOC2)cc1	191029918	VCGZJYAYVJJLAD-ZDUSSCGKSA-N	293.367	1.520	10	20	CDCD	
COc1ccc(O)c(CN2CCC(C(=O)O)CC2)c1	86727768	DVJPLPPAZHDLFZ-UHFFFAOYSA-N	265.309	1.697	10	20	CDCD	
C[C@H](N[C@@H](C)c1cc(F)ccc1O)C(=O)N(C)C	94617125	IUXPEGPWHQWBRY-IUCAKERBSA-N	254.305	1.659	10	20	CDCD	
C[C@@H](CN)N(C)Cc1cc(Br)ccc1O	382973064	MFBSTAHAONDGSK-QMMMGPOBSA-N	273.174	1.934	10	20	CDCD	
CCCOc1ccc(CN2CC[C@H](CO)C2)c(O)c1	92764408	OCQFVQXARGAINP-LBPRGKRZSA-N	265.353	1.995	10	20	CDCD	
C[C@@H](NC[C@H]1COCCN1)c1cc(Cl)ccc1O	530226376	OWVINMBZQYCJSM-KOLCDFICSA-N	270.760	1.685	10	20	CDCD	
CO[C@@H](CN)CC(=O)NCc1ccc2c(c1)CCCN2C	278204370	GWLOVLCCASLAGH-CQSZACIVSA-N	291.395	1.049	10	20	CDCD	
CN(C)c1ccc(CN2CCn3cncc3C2)cc1	367966778	RDRGYQVXEFFHIH-UHFFFAOYSA-N	256.353	1.965	10	20	CDCD	
C[C@H](NC[C@@H]1CCOC1)c1cc([N+](=O)[O-])ccc1O	273302223	BPIIGPYEOCGTPL-UWVGGRQHSA-N	266.297	1.988	10	20	CDCD	
CC[C@H](NCCOCCO)c1ccc(F)cc1O	285865772	YRPQCZBKVHANKK-LBPRGKRZSA-N	257.305	1.581	10	20	CDCD	
Cn1cc([C@@H]2C[C@H]2C(=O)NCCc2ccc(N)cc2)cn1	378188832	UOSUWUAWLXWVSM-LSDHHAIUSA-N	284.363	1.465	10	20	CDCD	
Cn1cnc2c(C(=O)NCc3ccccc3O)ccnc21	806717369	HIDUNAXNWUYIAR-UHFFFAOYSA-N	282.303	1.604	10	20	CDCD	
CO[C@@H](C)c1nsc(NC(=O)c2cccc(O)c2O)n1	802627652	BSMOYQGJPWLMDH-LURJTMIESA-N	295.320	1.909	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H](C)CC(C)(C)O)c1O	295061022	OGJHRMOCYBPASB-VIFPVBQESA-N	298.339	1.948	10	20	CDCD	
Cc1ccc(C(=O)N2CC[C@H](CO)C[C@@H]2C)c(O)c1O	291976417	URWYLFNICPYYLF-QWRGUYRKSA-N	279.336	1.639	10	20	CDCD	
C[C@@H](NC[C@@H]1C[C@H](F)CN1)c1ccc(F)cc1O	817976054	FCZXIVUPTQIKGT-MIMYLULJSA-N	256.296	1.882	10	20	CDCD	
COC[C@](C)(O)CNCc1cc(Cl)c(F)cc1O	816549553	RCWIXGLPZVBCRL-GFCCVEGCSA-N	277.723	1.672	10	20	CDCD	
CN1CCN(c2ccc(CNCCCC(=O)O)cc2)CC1	813355019	UUCINKBLCQIILZ-UHFFFAOYSA-N	291.395	1.393	10	20	CDCD	
C[C@H](NC[C@H]1CNCCO1)c1cc(F)cc(F)c1O	817983984	SZBYCHICCTXCLG-WCBMZHEXSA-N	272.295	1.309	10	20	CDCD	
C[C@@H](NC(=O)[C@]1(C)CCNC1=O)c1ccccc1O	827955481	ABOCTOWTIBHCQQ-YMTOWFKASA-N	262.309	1.096	10	20	CDCD	
O=C(O)c1ccc(C(=O)NCc2ccc(O)c(O)c2)cc1	821544334	NUXCBHUKQURHTL-UHFFFAOYSA-N	287.271	1.726	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN[C@@H]1CCC(=O)N(C)C1=O	822520706	MOCAHMNZXPAIIR-CQSZACIVSA-N	289.379	1.298	10	20	CDCD	
CC(C)(C)[C@@H](C(=O)O)C(=O)NCc1c(O)cccc1F	902853209	JZHNBPCBMRHRFO-LLVKDONJSA-N	283.299	1.894	10	20	CDCD	
Nc1ccc(Cc2noc([C@H]3[C@H]4C(=O)CC[C@@H]43)n2)cc1	904078246	WMBHFSKEHNOYAL-ZLKJLUDKSA-N	269.304	1.935	10	20	CDCD	
CC[C@H](CO)N(C)C(=O)NCc1ccc(N(C)C)c(F)c1	838030521	UIFSYSJGTXICNH-GFCCVEGCSA-N	297.374	1.804	10	20	CDCD	
Oc1cc2c(cc1CN1CC[C@H](C3OCCO3)C1)OCO2	905694215	FJVMGHDARPEMMJ-JTQLQIEISA-N	293.319	1.316	10	20	CDCD	
N[C@H](CC(F)F)C(=O)NCc1c(O)ccc2c1CCCC2	830597959	WULABSOMRJEKMY-GFCCVEGCSA-N	298.333	1.870	10	20	CDCD	
C[C@H](Cc1cnc[nH]1)C(=O)NCc1ccc(O)cc1O	910945454	WRRYIDPSEJHZDL-SECBINFHSA-N	275.308	1.316	10	20	CDCD	
N[C@@H]1CCO[C@H]1C1CCN(Cc2ccccc2O)CC1	843125376	UKAHNZBBCZKFSB-ZBFHGGJFSA-N	276.380	1.720	10	20	CDCD	
CCN1C[C@@H](CNCc2c(O)cccc2OC)CC1=O	846092527	FHVKDJDOJONSGR-LLVKDONJSA-N	278.352	1.359	10	20	CDCD	
CCCC[C@@H](OC(=O)c1cccc(O)c1O)C(=O)OC	758560092	UZKFIJNTUSKNNC-LLVKDONJSA-N	282.292	1.986	10	20	CDCD	
CC(C)(C)N1C[C@@H](NC(=O)c2cc(O)cs2)CC1=O	752816623	LPVIATXDEKANTH-QMMMGPOBSA-N	282.365	1.583	10	20	CDCD	
CN(Cc1cc2c(cc1O)OC[C@H]2O)[C@@H]1CCSC1	768466320	YSXVPUUAGYEUKC-ZWNOBZJWSA-N	281.377	1.755	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)c2cnn3c2CCC3)c1	862754661	IFGCUTYLMYEKRX-UHFFFAOYSA-N	271.320	1.773	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1C(=O)N[C@H](C2CC2)C1=O	761357228	QBJPXVSQENISQM-CQSZACIVSA-N	287.363	1.891	10	20	CDCD	
C[C@@H](NC(=O)NC[C@H]1CCOC1)c1ccccc1O	1118969531	DMHRIMXJKRAAFS-GHMZBOCLSA-N	264.325	1.789	10	20	CDCD	
Cc1cccc(O)c1CN[C@H](C)C(=O)NCCF	877500632	WDYMOUPKEWBJSW-SNVBAGLBSA-N	254.305	1.264	10	20	CDCD	
C[C@@H](C[C@@H]1CCCC(=O)N1)NCc1ccccc1O	876996134	PSABIGXHDPULCW-AAEUAGOBSA-N	262.353	1.929	10	20	CDCD	
CCO[C@H]1COCC[C@H]1NCc1ccc(C)cc1O	877345219	YGIKGFZSVPCZMH-HIFRSBDPSA-N	265.353	1.984	10	20	CDCD	
CC(C)[C@@H]1CN(Cc2cc3c(cc2O)OC[C@@H]3O)CCO1	777966463	BKCRBAJMRBPTLF-HOCLYGCPSA-N	293.363	1.675	10	20	CDCD	
C[C@H](NC(=O)[C@@H]1CCC(=O)N1)c1ccc(N(C)C)cc1	772998186	ISIINRNJBBOLHW-GWCFXTLKSA-N	275.352	1.208	10	20	CDCD	
CCNC(=O)C(C)(C)CNC(=O)NCc1ccccc1O	773051337	YVJFZNOZEPIGNU-UHFFFAOYSA-N	293.367	1.354	10	20	CDCD	
CCOc1ccc(O)c(CNC[C@@H](COC)OC)c1	781416898	SOUMPJGQOAOBRH-ZDUSSCGKSA-N	269.341	1.542	10	20	CDCD	
C[C@@H]1C[C@@H](NC(=O)NCc2ccc(N)cc2)CCN1	1120630643	CCBLTFIQGNYQCG-MFKMUULPSA-N	262.357	1.209	10	20	CDCD	
Cc1ccc(C(=O)N2CC(OCC(F)F)C2)c(O)c1O	780963430	PFDWBULHKBAYLH-UHFFFAOYSA-N	287.262	1.512	10	20	CDCD	
COc1ccc(CN[C@@H](C)C[S@@](C)=O)c(O)c1OC	893527454	YHDOSGMMZPIDFX-ZRNGKTOUSA-N	287.381	1.266	10	20	CDCD	
COc1cc(C)cc(CN[C@@H](C)c2nncn2C)c1O	894239061	XTNRTHZHTRTIBM-JTQLQIEISA-N	276.340	1.689	10	20	CDCD	
COc1cccc(O)c1CN1CC(=O)N(CC2CC2)C1	789774636	HRMOFXGGAKUNSI-UHFFFAOYSA-N	276.336	1.413	10	20	CDCD	
C[C@H](NCC1(CO)COC1)c1ccc(F)cc1O	186146125	HNHCKPIZCWPRII-VIFPVBQESA-N	255.289	1.191	10	20	CDCD	
CCOc1ccc(CN(C)[C@H](C)C(=O)OC)c(O)c1	793324938	ONQRRBGSWZMDMQ-SNVBAGLBSA-N	267.325	1.784	10	20	CDCD	
CC[C@@H](C)[C@@](C)(O)CNC(=O)c1cccc(O)c1O	790759159	GJSFOIJRESQTSE-OTYXRUKQSA-N	267.325	1.625	10	20	CDCD	
CO[C@@H](C)CS(=O)(=O)N(C)Cc1ccccc1O	799773876	DKTSZEWJLXHTAE-JTQLQIEISA-N	273.354	1.189	10	20	CDCD	
COC[C@@H](O)CCN[C@H](C)c1ccc(N(C)C)cc1	90951391	VDRWVQGYZDQDRN-DOMZBBRYSA-N	266.385	1.801	10	20	CDCD	
COCC(=O)NCCCNCc1ccc(OC)c(C)c1	1153999133	QPZQYTYIUJRXIA-UHFFFAOYSA-N	280.368	1.246	10	20	CDCD	
CC(C)[C@@H](CC(=O)O)NCc1cc([N+](=O)[O-])ccc1O	1320748406	DQJOZPKTDDXFAH-LLVKDONJSA-N	282.296	1.889	10	20	CDCD	
Nc1ccc(CNC(=O)N[C@H]2CCN(CC3CC3)C2)cc1	1335664440	BZAZWMMKNQMXGB-HNNXBMFYSA-N	288.395	1.552	10	20	CDCD	
C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)NCc1ccc(N)cc1	1335490566	HUSUNZRFIGSOHT-NHYWBVRUSA-N	288.395	1.551	10	20	CDCD	
O=C(NCC1(Br)CC1)c1cccc(O)c1O	910211905	JSBNXXQTJICFBM-UHFFFAOYSA-N	286.125	1.755	10	20	CDCD	
Cc1ccc(O)c(CNS(=O)(=O)N(C)CC2CC2)c1	1334976184	UCWPWQOIZWKUCZ-UHFFFAOYSA-N	284.381	1.377	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)NCCCCN)c1	1345481639	FNIBYDMLYLZFCG-SNVBAGLBSA-N	266.341	1.568	10	20	CDCD	
C[C@H](O)Cc1nnc(N(C)Cc2ccccc2O)n1C	1350893581	DRMNISMJRPGFMW-JTQLQIEISA-N	276.340	1.080	10	20	CDCD	
CN(Cc1ccccc1O)c1nnnn1C1(C)CC1	1354328385	JAHNKWVJHMMFCA-UHFFFAOYSA-N	259.313	1.524	10	20	CDCD	
Nc1ccc(CN[C@@H](Cc2cncs2)C(=O)O)cc1	1601216068	MDHXTHAWFJDXMD-LBPRGKRZSA-N	277.349	1.511	10	20	CDCD	
CN1CCCc2cc(CNC(=O)[C@]34CNC[C@@H]3C4)ccc21	1578530777	QPTGDXASIBZKCD-WMLDXEAASA-N	285.391	1.295	10	20	CDCD	
CC[C@@H]1CN(Cc2cccc(OC)c2O)CC[C@@H]1N	122385678	GVYCIIRBVMDGLD-YPMHNXCESA-N	264.369	1.960	10	20	CDCD	
C[C@@H](C(=O)O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	1588563705	YUEFIFPFEZWSQF-LLVKDONJSA-N	290.363	1.964	10	20	CDCD	
CN(Cc1cocn1)c1ccc(OCC(=O)O)cc1	1598532911	GFZCYBIJQRDZAM-UHFFFAOYSA-N	262.265	1.774	10	20	CDCD	
Cc1ccc(C(=O)NCCC(C)(C)C(=O)O)c(O)c1O	1594347352	BSKNARGUSQBMTP-UHFFFAOYSA-N	281.308	1.637	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)[C@@H]1COc2ccccc21	156586936	KQACHSZIDBUFCL-CYBMUJFWSA-N	299.326	1.933	10	20	CDCD	
Cc1ccc(C(=O)N(C)[C@H](C)C[S@@](C)=O)c(O)c1O	274524857	PNSROTKYRUJLRB-AYLIAGHASA-N	285.365	1.245	10	20	CDCD	
C[C@@](CO)(NCc1cc(F)cc(F)c1O)C1CC1	883034439	UXDFLFJUBFKBCY-ZDUSSCGKSA-N	257.280	1.921	10	20	CDCD	
CC[C@@H]1CO[C@@H](C)CN1C(=O)Cc1ccc(N)cc1	36794528	KHLZQPBUQHUNJP-SMDDNHRTSA-N	262.353	1.837	10	20	CDCD	
Cc1ccc([C@@H](C)NC[C@@H]2CCS(=O)(=O)C2)c(O)c1	38083083	WBJCQHBRPRVNAX-NEPJUHHUSA-N	283.393	1.786	10	20	CDCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NC[C@]1(O)CCOC1	300419460	WZHLHSKQORVMIY-BFQNTYOBSA-N	277.364	1.990	10	20	CDCD	
CCOc1cccc(CNC2([C@H](C)O)CC2)c1O	827580154	QGHCKWVVFBHWNE-JTQLQIEISA-N	251.326	1.794	10	20	CDCD	
COc1ccc(O)c(CNC[C@H](O)CC(C)C)c1	224572008	GGFHVCAHCZGLRH-GFCCVEGCSA-N	253.342	1.897	10	20	CDCD	
O=C(NCc1c(O)ccc2c1CCCC2)c1cc[nH]n1	174517947	WXAUPAAOJQWYIR-UHFFFAOYSA-N	271.320	1.924	10	20	CDCD	
CN(C)c1ccc(CN2CC[C@@H](CO)C2)cc1F	127220185	HQSKXIHJWGNCDY-GFCCVEGCSA-N	252.333	1.706	10	20	CDCD	
C[C@H](NCCOCCN(C)C)c1ccccc1O	219321554	GVFQKPBYXXZHJZ-LBPRGKRZSA-N	252.358	1.621	10	20	CDCD	
Cc1ccc(C(=O)N[C@H](CCO)c2ccco2)c(O)c1O	183824967	XSGFVIIUMDTOTC-LLVKDONJSA-N	291.303	1.853	10	20	CDCD	
COc1cccc(CN(C)[C@@H]2CCCCNC2=O)c1O	123942284	KHNWNQOTSRPHTD-GFCCVEGCSA-N	278.352	1.501	10	20	CDCD	
Cc1ccc(C(=O)NC[C@H]2CC[C@@H](O)C2)c(O)c1O	191344083	ASFMCGCUAFODBD-VHSXEESVSA-N	265.309	1.297	10	20	CDCD	
C[C@@H]1[C@@H](NC=C2C(=O)N(C)C(=O)N(C)C2=O)CCC[C@H]1C	250150084	WMPBCYWNZXZHEZ-SCVCMEIPSA-N	293.367	1.335	10	20	CDCD	
CCOc1cc(O)ccc1NS(=O)(=O)c1cn(C)cn1	276790500	CVQLZZMCZUQMQI-UHFFFAOYSA-N	297.336	1.325	10	20	CDCD	
O=C(NCc1ccccc1O)c1occ2c1CCOC2	376141374	MJRHPDIMLSXHFX-UHFFFAOYSA-N	273.288	1.988	10	20	CDCD	
CNC(=O)[C@@H](C)CN(C)Cc1ccc(N(C)C)c(C)c1	292663560	ANGFTAYOBXFWIY-ZDUSSCGKSA-N	277.412	1.875	10	20	CDCD	
CN(CCN(C)C1CC1)C(=O)c1c(F)ccc(O)c1O	294885567	CKFYFQMPUIBHKS-UHFFFAOYSA-N	282.315	1.403	10	20	CDCD	
CN(C)CCN(C)CCCN(C)Cc1cc(F)ccc1O	290267023	XLFGGMIGTHZXMC-UHFFFAOYSA-N	297.418	1.847	10	20	CDCD	
C[C@@H](CNCc1cc([N+](=O)[O-])ccc1O)CN(C)C	291674818	GYDRQXRMRLHCNP-JTQLQIEISA-N	267.329	1.588	10	20	CDCD	
CC(=O)C(=O)CN1C(=O)CN(/C=C\c2ccccc2)C1=O	808022546	LEKFSQRJWOSLHH-FPLPWBNLSA-N	286.287	1.080	10	20	CDCD	
C[C@H](NC1CC1)C(=O)N1CCOc2cc(N(C)C)ccc21	294697510	CDIRSSSMSVEEDG-NSHDSACASA-N	289.379	1.619	10	20	CDCD	
C[C@H](NC(=O)N(C)CCC(N)=O)c1ccc(N(C)C)cc1	807141814	VZJHPKUQLOHDAP-NSHDSACASA-N	292.383	1.330	10	20	CDCD	
CNC(=O)CC[C@H]1CCCCN1C(=O)c1cc(O)cs1	807739026	IQKIBTNTTHSDRT-SNVBAGLBSA-N	296.392	1.975	10	20	CDCD	
CC(C)OC[C@H](CO)N(C)Cc1ccccc1O	809768343	IONFNQTYLLQXGU-ZDUSSCGKSA-N	253.342	1.610	10	20	CDCD	
COC[C@]1(CN[C@@H](C)c2ccccc2O)CCCN1	817974391	LCSGZFOGZVXTQW-SWLSCSKDSA-N	264.369	1.811	10	20	CDCD	
Cc1cc(C(=O)Nc2ncn(C)n2)c(C)n1-c1ccccn1	817152757	AOHNKUCDTKIDTO-UHFFFAOYSA-N	296.334	1.870	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)[C@]1(C)CCNC1	571687981	LJFOQEBFOJWKGR-MRXNPFEDSA-N	289.379	1.478	10	20	CDCD	
CCOc1ccc(CNC[C@@H]2COCCO2)c(O)c1	725846571	IBTBFPSGAXQIIT-CYBMUJFWSA-N	267.325	1.296	10	20	CDCD	
COC[C@H](OC)C(=O)NCc1ccc(N(C)C)c(F)c1	824669610	OFOMGCPAIGJMQX-ZDUSSCGKSA-N	284.331	1.169	10	20	CDCD	
CC(=O)NC[C@H]1CCCN(C(=O)Cc2ccc(N)cc2)C1	827837902	NMKKXORSMCJDDR-CQSZACIVSA-N	289.379	1.186	10	20	CDCD	
C[C@@H](NC(=O)[C@@H]1CCNC(=O)C1)c1ccccc1O	827936791	CYKSQQYSDYEQQC-NXEZZACHSA-N	262.309	1.096	10	20	CDCD	
CC1CCN(c2ccc(CNC(=O)[C@@H]3C[C@@H]3N)cc2)CC1	828988592	XOIJBNBSVHRMFO-CVEARBPZSA-N	287.407	1.886	10	20	CDCD	
COc1cccc(CN2C[C@@H](C)C[C@@H](O)C2)c1O	825312262	RWCJAFBNKBENNI-CMPLNLGQSA-N	251.326	1.604	10	20	CDCD	
CC[C@H](O)[C@H](C)C(=O)NCc1ccc(N(C)C)c(F)c1	900434250	JDEYBKUTWRMGRT-HZMBPMFUSA-N	282.359	1.915	10	20	CDCD	
CCOC(=O)[C@@H](CC)C(=O)NCc1cccc(OC)c1O	839633866	XJOMNTVWWYWCCN-NSHDSACASA-N	295.335	1.606	10	20	CDCD	
CCOc1ccc(O)c(CN(CCOC)CCC(=O)O)c1	904270285	YOAYMOPNWGIOET-UHFFFAOYSA-N	297.351	1.714	10	20	CDCD	
C[C@@H](N[C@H](C)c1ccc(N2CCOCC2)cc1)C(=O)O	737689536	JVTHCELOBPUVSB-VXGBXAGGSA-N	278.352	1.647	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N(C)CCN(C)C	747584876	QRFVQUSXPGXZQG-UHFFFAOYSA-N	292.427	1.764	10	20	CDCD	
COc1ccc(N(C)CCN(C)C(=O)c2cnn[nH]2)cc1	846446053	HTUYXZSGFBRYIK-UHFFFAOYSA-N	289.339	1.022	10	20	CDCD	
O=C(NCc1cc(Cl)ccc1O)C(=O)NCC1CC1	846472836	GAMSNLSQBVPVJA-UHFFFAOYSA-N	282.727	1.188	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN[C@@H](C)C[S@@](C)=O	840938758	GSLKAGLXTZSSIP-KPZWWZAWSA-N	268.426	1.918	10	20	CDCD	
CCOc1ccc(CN[C@H]2CCCNC2)c(O)c1	841043904	YZMXHKDNNFFIAI-LBPRGKRZSA-N	250.342	1.633	10	20	CDCD	
CNC[C@H]1CCCN1Cc1ccc(N2CCOCC2)cc1	843054990	BTFJPCCICQZYTR-QGZVFWFLSA-N	289.423	1.707	10	20	CDCD	
CCOc1ccc(CN[C@H]2CCCN(C)C2=O)c(O)c1	748242791	QQXWVAQEJSMPOO-ZDUSSCGKSA-N	278.352	1.501	10	20	CDCD	
C[C@@H](N)[C@H]1CCCN(Cc2cc3c(cc2O)OCO3)C1	843051078	DHWMANPGQLNWPL-MNOVXSKESA-N	278.352	1.680	10	20	CDCD	
OC[C@H](NCc1cc(F)ccc1O)[C@H]1CCCOC1	840963480	OEDCFEPFQHZCAI-GWCFXTLKSA-N	269.316	1.408	10	20	CDCD	
CCNCCNCc1cc(Br)ccc1O	841037719	UCAZDFARTVHDOR-UHFFFAOYSA-N	273.174	1.854	10	20	CDCD	
Nc1ccc(CCNC(=O)NC[C@@H]2CCCCO2)cc1	841739789	HVDKUOSKDCCRHV-AWEZNQCLSA-N	277.368	1.680	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@H]2C[C@]23CCCNC3)cc1	848407064	LRUWFOBXOWXUSR-WBVHZDCISA-N	287.407	1.759	10	20	CDCD	
COCCOCCN1CCN(Cc2ccccc2O)CC1	846116075	DUEJKRDQROAZAS-UHFFFAOYSA-N	294.395	1.173	10	20	CDCD	
C[C@H](C(=O)O)C(=O)NCc1ccc2c(c1)CCCN2C	842586686	WIKLGGBMIXBWKR-JTQLQIEISA-N	276.336	1.406	10	20	CDCD	
COc1cc(O)c(CN2CC[C@@H]([C@@H](C)N)C2)cc1OC	843057186	GMMRDZCNQKGAGY-GHMZBOCLSA-N	280.368	1.579	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCOC[C@]12CCOC2	854337649	CTHVSIUSTGRLJH-GFCCVEGCSA-N	269.322	1.085	10	20	CDCD	
CCNC(=O)CN(C)Cc1cc(C)cc(C)c1O	754722022	AKBWWFIFLHTODL-UHFFFAOYSA-N	250.342	1.577	10	20	CDCD	
Oc1ccccc1CNCCCNc1ncccn1	751507041	QSKQQRWEFKSNJM-UHFFFAOYSA-N	258.325	1.774	10	20	CDCD	
Cn1nc(C2CC2)cc1C(=O)NCc1ccc(O)c(O)c1	934944488	QGVISONHTQOGRG-UHFFFAOYSA-N	287.319	1.639	10	20	CDCD	
CC[C@@](C)(O)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	935312770	YWFXGARYFJKZKK-LKFCYVNXSA-N	267.325	1.306	10	20	CDCD	
Cc1ccn(C[C@H](C)C(=O)NCc2ccc(O)c(O)c2)n1	866769063	HGWKGSBGNCKXSP-JTQLQIEISA-N	289.335	1.555	10	20	CDCD	
COC[C@@H]1CCCN1NC(=O)c1cc(O)cs1	862591878	UVWWHSSULQXUCZ-QMMMGPOBSA-N	256.327	1.209	10	20	CDCD	
COCC[C@@]1(NCc2ccc(C)cc2O)CCOC1	877481365	FNHSRVADIGAOOH-OAHLLOKOSA-N	265.353	1.986	10	20	CDCD	
COC[C@@H](C)NC(=O)/C=C\c1ccc(O)c(O)c1	779473726	YXFLRNVPQPVDCL-XTULLQBASA-N	251.282	1.262	10	20	CDCD	
CN[C@H](C)CCNC(=O)N[C@H](C)c1cc(OC)ccc1O	1118031195	AFDIACQTSVZDKU-GHMZBOCLSA-N	295.383	1.759	10	20	CDCD	
COC(=O)[C@H]1CN(C)CCN(Cc2ccc(C)cc2O)C1	877587862	SEABURJFVSTREA-AWEZNQCLSA-N	292.379	1.237	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)NCC1(O)CCC1	779486639	XKISALQBSZEGPT-HYXAFXHYSA-N	263.293	1.142	10	20	CDCD	
C[C@H](C(=O)NCc1ccc(O)c(O)c1)n1ccnc1	1116566127	PZEWHUHGBITTOP-SECBINFHSA-N	261.281	1.172	10	20	CDCD	
CCC[C@@H](NC(=O)c1cccc(O)c1O)C(=O)OC	776679034	KEGHZGLEMYPYJZ-SECBINFHSA-N	267.281	1.169	10	20	CDCD	
CCO[C@H]1CCN(C(=O)c2ccc(C)c(O)c2O)C1	885339494	SXPAOWMHWPURGR-JTQLQIEISA-N	265.309	1.657	10	20	CDCD	
Cc1nnc(CNC(=O)/C=C/c2ccc(O)c(O)c2)s1	781047489	CCESLUUJGNKIGI-HWKANZROSA-N	291.332	1.587	10	20	CDCD	
COc1ccc(CN2CCC[C@@H](O)CC2)c(O)c1OC	894649037	JTICHCWHRZBITE-GFCCVEGCSA-N	281.352	1.756	10	20	CDCD	
COCCC(C)(C)C(=O)OCC(=O)c1ccc(O)c(O)c1	784712435	ZCYYVSGWNAVKJX-UHFFFAOYSA-N	296.319	1.886	10	20	CDCD	
CN(CC(=O)NC[C@H]1CCCO1)Cc1ccccc1O	269604952	BQJXARUCWPBVDD-CYBMUJFWSA-N	278.352	1.119	10	20	CDCD	
CCCCN(CC(N)=O)Cc1ccc(OC)c(OC)c1O	891712009	DMXCPAOWKMCZEU-UHFFFAOYSA-N	296.367	1.497	10	20	CDCD	
CO[C@@H]1CCCN(C(=O)c2cccc(O)c2O)C1	187217980	MSZVQDOURUVULK-SECBINFHSA-N	251.282	1.349	10	20	CDCD	
CCc1cccc(CN2CCN3C(=O)CC[C@H]3C2)c1O	709344049	LJKRUNMRCVCJOW-AWEZNQCLSA-N	274.364	1.761	10	20	CDCD	
COc1ccc(O)c(CN2CCN(C[C@@H](C)O)C[C@@H]2C)c1	793586194	GQEATZZQLWNLOZ-QWHCGFSZSA-N	294.395	1.288	10	20	CDCD	
COc1ccc(O)c(CN2C[C@@H](C)N(C)C[C@H]2C)c1	775984963	IRJOZIJPJKFARO-VXGBXAGGSA-N	264.369	1.925	10	20	CDCD	
C[C@@H]1CC[C@@H](C)N1[C@H](C)C(=O)NCc1ccc(O)c(O)c1	1320507006	GCDCLWZFPJPJIQ-IJLUTSLNSA-N	292.379	1.975	10	20	CDCD	
C[C@H](O)[C@@H](NCc1ccc(N2CCCCC2)cc1)C(=O)O	1334844595	NMNMAPIIDICFCP-SWLSCSKDSA-N	292.379	1.601	10	20	CDCD	
O=C(O)[C@@H](O)CNCc1cc(Cl)cc(Cl)c1O	1332032005	GKMHUSYXVJWUEN-QMMMGPOBSA-N	280.107	1.234	10	20	CDCD	
Cc1noc(C(C)(C)NC(=O)Cc2ccc(N)cc2)n1	1342887550	WRHUJFAUEJBPNV-UHFFFAOYSA-N	274.324	1.554	10	20	CDCD	
O=C(O)c1ccc(CC(=O)N2Cc3cccc(O)c3C2)cn1	1602334231	KKWDNZGTGPHZGT-UHFFFAOYSA-N	298.298	1.570	10	20	CDCD	
CN(C)c1ccc(CN2CCC[C@@H](O)[C@H]2C(=O)O)cc1	1610105552	WCANWRVKUCGKHX-KGLIPLIRSA-N	278.352	1.163	10	20	CDCD	
C[C@@H]1CC[C@H](C(N)=O)[C@@H](C)N1C(=O)Cc1ccc(N)cc1	1576647227	MNJWTBYPZXSRPX-GYSYKLTISA-N	289.379	1.312	10	20	CDCD	
C[C@H](NC(=O)c1cnc(C(=O)O)cn1)c1ccccc1O	1594239776	JQKCYPANNRIKCQ-QMMMGPOBSA-N	287.275	1.371	10	20	CDCD	
CCOCCN[C@H](CC)c1cccc(-c2nn[nH]n2)c1O	1590813523	SCUHMPUITTZRHZ-GFCCVEGCSA-N	291.355	1.650	10	20	CDCD	
Nc1ccc(CC(=O)NC[C@H](O)C2CCCCC2)cc1	151973012	QOUGIBYVKGUEEL-HNNXBMFYSA-N	276.380	1.869	10	20	CDCD	
COC[C@@H](C)OC[C@@H](O)CNc1ccccc1OC	234792126	HNSGURNXVQLIHX-NEPJUHHUSA-N	269.341	1.520	10	20	CDCD	
CCS(=O)(=O)C[C@H](C)NCc1ccc2c(c1)CCCO2	921737112	AQOKPJOZSOAXJJ-LBPRGKRZSA-N	297.420	1.924	10	20	CDCD	
Cc1ccc(CN(C)[C@H](C)C[S@@](C)=O)c(O)c1	877326284	VRAVKTMQJYERJF-PIGZYNQJSA-N	255.383	1.899	10	20	CDCD	
Nc1ccc(CC(=O)N2CC[C@@]3(CCOC3)C2)cc1	162124554	UVFJKVOQDZHZPI-OAHLLOKOSA-N	260.337	1.450	10	20	CDCD	
CNC[C@H]1CCCN(Cc2cccc(OC)c2O)C1	40592716	OZVNDGHRANADNZ-GFCCVEGCSA-N	264.369	1.832	10	20	CDCD	
CCN(C)C(=O)[C@H](C)N[C@@H]1CCc2cccc(O)c21	296243935	AXIHOWWINNCHOU-CMPLNLGQSA-N	262.353	1.836	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CC[C@]2(CCOC2)C1	187632388	IVFFMCIAAACMOS-AWEZNQCLSA-N	263.293	1.350	10	20	CDCD	
CCc1cccc(CNCC2(CO)CCOCC2)c1O	700933369	XRNBHTAMYWSLSF-UHFFFAOYSA-N	279.380	1.833	10	20	CDCD	
Cc1cc(O)ccc1NS(=O)(=O)c1c(C)n[nH]c1C	80357869	JUZSCZJDBRTXRR-UHFFFAOYSA-N	281.337	1.841	10	20	CDCD	
CCc1cccc(CNC[C@]2(O)CCN(C)C2)c1O	702614572	MCVGNEAGIHSSIN-OAHLLOKOSA-N	264.369	1.111	10	20	CDCD	
Oc1c(F)cc(F)cc1CNCCN1CCOCC1	708517876	XAFOSGLZDQWVAR-UHFFFAOYSA-N	272.295	1.092	10	20	CDCD	
COc1ccc(O)c(CNCCCn2cncn2)c1	381743609	ZVMIRJJANIUWBV-UHFFFAOYSA-N	262.313	1.172	10	20	CDCD	
COc1cccc(CNC(=O)c2cc[nH]c2C)c1O	176149428	DTCXTPOCQXAAGU-UHFFFAOYSA-N	260.293	1.967	10	20	CDCD	
CO[C@@H](C(=O)NCc1cccc(O)c1O)C(C)C	1347233331	IODLUQMYEKVYQY-GFCCVEGCSA-N	253.298	1.385	10	20	CDCD	
COCCCCNC(=O)/C=C/c1ccc(O)c(O)c1	180660200	XBGUVWWCQANJOD-FNORWQNLSA-N	265.309	1.654	10	20	CDCD	
CN(CC(=O)NCc1ccccn1)c1ccc2c(c1)OCO2	121242269	LUUPBUBOQAAGQS-UHFFFAOYSA-N	299.330	1.563	10	20	CDCD	
C[C@@H](NCCS(C)(=O)=O)c1cc(Cl)ccc1O	185226463	SLJPXYVXVCNDKJ-MRVPVSSYSA-N	277.773	1.741	10	20	CDCD	
COc1ccc(O)c(CN2CCN3C(=O)OC[C@H]3C2)c1	378445566	VHWZNIHKZSQTCP-LLVKDONJSA-N	278.308	1.037	10	20	CDCD	
O=C(CCOC1CCOCC1)NCc1ccccc1O	84631512	ZYQFUCJGWAASQE-UHFFFAOYSA-N	279.336	1.594	10	20	CDCD	
COc1ccc(O)c([C@H](C)NCC(C)(C)OCCO)c1	287360863	OBIAPSPUZHHHPN-NSHDSACASA-N	283.368	1.839	10	20	CDCD	
CC(C)C[C@@H](O)CNC(=O)c1cccc(O)c1O	230004060	WTWCRUOHYPXZPY-SECBINFHSA-N	253.298	1.235	10	20	CDCD	
Cc1c(CNC(=O)C2(C(N)=O)CCC2)n(C)c2ccccc12	526935316	WQMNGOCOGZRLPN-UHFFFAOYSA-N	299.374	1.759	10	20	CDCD	
COc1ccc(N(C)CCn2cncn2)cc1F	268127807	BRWVGEVLWIRUPP-UHFFFAOYSA-N	250.277	1.562	10	20	CDCD	
Cc1nccn1CCCNCc1cc([N+](=O)[O-])ccc1O	263705860	SFYGHCUDOIASKP-UHFFFAOYSA-N	290.323	1.985	10	20	CDCD	
C[C@@H]1COCC[C@@H]1CNC(=O)/C=C/c1ccc(O)c(O)c1	286769851	IEQIPYGCXORERQ-VWRYTFAISA-N	291.347	1.900	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)CCn1cccn1	808093144	INJYSXFCAQVQOV-UHFFFAOYSA-N	294.351	1.781	10	20	CDCD	
NC(=O)CC1CN(Cc2cc(Br)ccc2O)C1	297379533	JICQYYSLKATCHK-UHFFFAOYSA-N	299.168	1.462	10	20	CDCD	
C[C@H]1C[C@H](CNC(=O)c2c(F)ccc(O)c2O)CCO1	297616448	WCZVKAFFAVWKFR-DTWKUNHWSA-N	283.299	1.782	10	20	CDCD	
Cc1ccc([C@@H](C)NC[C@H]2CNCCO2)c(O)c1	817983792	QLJZZUACPGRDIP-VXGBXAGGSA-N	250.342	1.340	10	20	CDCD	
O=C(C[C@@H]1CC(=O)N1)NCCCSc1nccs1	827474510	BHSGPEJXGBQLRP-MRVPVSSYSA-N	285.394	1.020	10	20	CDCD	
CCCNC(=O)[C@H](C)OC(=O)c1cc(O)cs1	731912283	TYAWVTAARSRIPR-ZETCQYMHSA-N	257.311	1.525	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)C12CC(C(=O)O)(C1)C2	911231011	PINNBUCLMDUXBT-UHFFFAOYSA-N	275.304	1.606	10	20	CDCD	
CN(C)c1ccc([C@@H](N)CNC(=O)Cc2ccncc2)cc1	844163023	SHJRYUTZTRFSPL-INIZCTEOSA-N	298.390	1.506	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1CCn2ncnc2C1	840937539	JIVYXJJHGFARDZ-UHFFFAOYSA-N	271.368	1.668	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CCCC(N)=O	746344537	TVMMEAQOJPPVTF-UHFFFAOYSA-N	277.368	1.367	10	20	CDCD	
Cc1cc(O)c(CN2CCN([C@H]3CCNC3)CC2)cc1C	843124549	HMQGJEKXNOLCFQ-INIZCTEOSA-N	289.423	1.489	10	20	CDCD	
CCOc1cccc(CNC[C@H](N)C2CC2)c1O	841050667	RVCBKKNBYKIKIY-LBPRGKRZSA-N	250.342	1.618	10	20	CDCD	
O=C(NCc1ccccc1O)C(=O)Nc1ccccc1F	748486373	QRDUSTDFLWSIEM-UHFFFAOYSA-N	288.278	1.786	10	20	CDCD	
Nc1ccc(CCNC(=O)N[C@@H]2CCC[C@@H](N)C2)cc1	841955929	RMTPCQUSULSNKK-ZIAGYGMSSA-N	276.384	1.380	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N[C@@H](CCO)C2CC2)cc1	741267196	TWEYEAXWRNWDPN-HNNXBMFYSA-N	291.395	1.713	10	20	CDCD	
CCc1cccc(CNC[C@@H]2CC(=O)N(CC)C2)c1O	848918778	LUPOLQYGQITSLD-LBPRGKRZSA-N	276.380	1.913	10	20	CDCD	
CC[C@@H](C)[C@@H](OC(=O)c1cccc(O)c1O)C(=O)OC	922619191	DLMRNTMOPSTSFG-PRHODGIISA-N	282.292	1.842	10	20	CDCD	
CON(C)C(=O)[C@H](C)N[C@@H](C)c1cc(F)ccc1O	858579172	NLJAPNKYKNAZOH-IUCAKERBSA-N	270.304	1.590	10	20	CDCD	
CON(C)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	753407252	UBEFZJYFUOQZAW-LBPRGKRZSA-N	293.367	1.787	10	20	CDCD	
CN(CC(=O)NCc1ccc(N(C)C)cc1)CC(C)(C)N	852753440	BCNDJNFOMDDDNO-UHFFFAOYSA-N	292.427	1.038	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)N[C@@H]2CCN(C3CC3)C2)c1	858282239	VHERMRRGFJZRMT-CYBMUJFWSA-N	289.379	1.737	10	20	CDCD	
COc1cc(C)cc(CN(C)[C@@H]2CCN(C)C2=O)c1O	754741605	LWHPVWQQELOXNQ-GFCCVEGCSA-N	278.352	1.372	10	20	CDCD	
CC[C@@H](NC[C@@H](C)S(C)(=O)=O)c1ccccc1O	697579825	OIZLBUXYXLFFQB-ZYHUDNBSSA-N	271.382	1.866	10	20	CDCD	
COc1cccc(O)c1CN1CCC(CC(N)=O)CC1	768442413	UXKOBUIVEMQWCE-UHFFFAOYSA-N	278.352	1.488	10	20	CDCD	
O=C(c1cc(O)cs1)N(CCCCO)C1CC1	765175193	VQSSMTCOTDTJSC-UHFFFAOYSA-N	255.339	1.831	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CCc2cnn[nH]2)cc1F	865050143	AUKSUMZDZKJMLP-UHFFFAOYSA-N	291.330	1.259	10	20	CDCD	
CO[C@@H]1COCC[C@H]1CNCc1c(C)cccc1O	877563333	JNUSBHMXKXWREA-SWLSCSKDSA-N	265.353	1.842	10	20	CDCD	
CCN(C)c1ccc(CN2CC(=O)N(C)C[C@@H]2C)cc1	773888839	QBGQLONLKGHUCP-ZDUSSCGKSA-N	275.396	1.805	10	20	CDCD	
CCN(C)c1ccc(CN(C)CCNC(=O)N(C)C)cc1	773825034	WKBFEZBAHKVSSF-UHFFFAOYSA-N	292.427	1.846	10	20	CDCD	
CCCNC(=O)[C@H](C)OC(=O)/C=C\c1ccc(O)c(O)c1	772773007	AJNGMDJSFPBIHW-BXKUYDPTSA-N	293.319	1.569	10	20	CDCD	
C[C@@H](NC(=O)Cc1ccn(C)n1)c1ccc(N(C)C)cc1	773002112	XWNOUKISSSBDMC-GFCCVEGCSA-N	286.379	1.906	10	20	CDCD	
O=C(NCc1c(O)cccc1F)N[C@H]1CC[C@@H](C(=O)O)C1	1121816157	SDLBOMVZIYITBF-BDAKNGLRSA-N	296.298	1.584	10	20	CDCD	
COc1nn(C)cc1C(=O)NCc1ccc(N(C)C)cc1	883955734	IQJARFBCQKRQFO-UHFFFAOYSA-N	288.351	1.425	10	20	CDCD	
CCN(CCC(=O)NC)Cc1cc(OC)c(OC)cc1O	897709488	FTPZLCLGHHKQQX-UHFFFAOYSA-N	296.367	1.367	10	20	CDCD	
COc1ccc(CN[C@H](C)[C@H]2CCOC2)c(O)c1OC	893070372	HTJSRYSBTOXGTA-PWSUYJOCSA-N	281.352	1.924	10	20	CDCD	
C[C@H]1CN(Cc2ccc(N3CCN(C)CC3)cc2)C[C@@H]1O	897681159	PSEQVDCADKMKKR-YOEHRIQHSA-N	289.423	1.251	10	20	CDCD	
C[C@H]1CN(Cc2cc(F)cc(F)c2O)CC[S@](=O)C1	894565373	FRYWDOHHSWTKSQ-UGZDLDLSSA-N	289.347	1.871	10	20	CDCD	
OC[C@]12C[C@H]1CN(Cc1c(O)ccc(Cl)c1F)C2	792180836	VHXTZQKAXRPFHV-ISVAXAHUSA-N	271.719	1.999	10	20	CDCD	
COc1ccc(CNC(=O)CCC(C)(C)O)c(O)c1	794380251	XGKKMQBPOTWQGD-UHFFFAOYSA-N	267.325	1.568	10	20	CDCD	
CN(C)C(=O)[C@H]1CCCN1Cc1cc(F)ccc1O	179895324	RHBASPFFJHRIIM-GFCCVEGCSA-N	266.316	1.584	10	20	CDCD	
O=C(NCc1ccccc1O)c1ccc2cncn2c1	786389503	AQKIQNIXKLPUND-UHFFFAOYSA-N	267.288	1.970	10	20	CDCD	
C[C@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H](C)O	1325843757	HDCCMMQYNYVKRQ-NWDGAFQWSA-N	296.386	1.646	10	20	CDCD	
O=C(O)[C@H](NCc1ccc2c(c1)CCO2)C1CCOCC1	1333135657	AEZXAFGXONFKSH-OAHLLOKOSA-N	291.347	1.591	10	20	CDCD	
COCCN(C)c1nnc(-c2sccc2O)n1C	1339458649	QZDMGUSGTLINPS-UHFFFAOYSA-N	268.342	1.332	10	20	CDCD	
Nc1ccc(CNC(=O)c2cnn([C@@H]3CCCNC3)c2)cc1	1342023069	RZQBLGPPWKGESP-OAHLLOKOSA-N	299.378	1.320	10	20	CDCD	
C[C@@H]1[C@H](C(=O)O)CCN1Cc1cc2c(cc1O)OC[C@@H]2O	1604638149	VAFRBKPOMFBJON-JQEORGNBSA-N	293.319	1.113	10	20	CDCD	
CC[C@@](COC)(NCc1ccc(N(C)C)cc1)C(=O)O	1605056999	RNYXUWPEDKFUNB-HNNXBMFYSA-N	280.368	1.722	10	20	CDCD	
C[C@](Cn1cccn1)(NCc1cc(F)ccc1O)C(=O)O	1604244753	QAPUUCJGYRAZMJ-CQSZACIVSA-N	293.298	1.361	10	20	CDCD	
Cc1cc(O)c(CN2CC[C@@](O)(C(=O)O)C2)cc1C	1600285377	ASXPEEALTIHAAU-AWEZNQCLSA-N	265.309	1.030	10	20	CDCD	
C[C@H]1OCC[C@]1(O)CNCc1ccc(N(C)C)cc1	227975308	XQWFJZXDJQXBPW-DOMZBBRYSA-N	264.369	1.382	10	20	CDCD	
CC[C@@H](C(=O)O)N(C)Cc1cc2c(cc1O)OC[C@@H]2O	1589440813	AKTQXPZNSLVMBN-JQWIXIFHSA-N	281.308	1.113	10	20	CDCD	
NC[C@H](NCc1cc(F)cc(F)c1O)C(F)(F)F	1580228772	FKNBTKBGSJSYBG-QMMMGPOBSA-N	270.201	1.650	10	20	CDCD	
O=C(NCc1ccccc1O)N[C@H]1CC[C@H]2CCN[C@H]1C2	1580721585	KPLUFUKSWXAOFE-UBHSHLNASA-N	289.379	1.722	10	20	CDCD	
CN1CC[C@H](CSc2ncc(C(=O)O)s2)C1	1598583572	IODSSSGLHWQOND-ZETCQYMHSA-N	258.368	1.885	10	20	CDCD	
C[C@@H](SCC(=O)NCc1ccc(N(C)C)cc1)C(=O)O	1593658567	JTQZMGWLZFJFNE-SNVBAGLBSA-N	296.392	1.575	10	20	CDCD	
Cc1cc(-c2nn[nH]n2)nc(NCc2ccccc2O)n1	1591900947	LBHBFFGWPLFLOW-UHFFFAOYSA-N	283.295	1.283	10	20	CDCD	
CO[C@@H]1COC[C@@H]1N[C@H](C)c1cc(C(=O)O)ccc1O	1599321958	IVCKBGIYJMRKHO-YDEJPDAXSA-N	281.308	1.155	10	20	CDCD	
O=C(O)[C@]1(NCc2ccc3c(c2)CCO3)CC[C@H]2C[C@H]21	1777600134	JAKQKQKUNNVSFL-GHJWDPDVSA-N	273.332	1.964	10	20	CDCD	
CC(C)(NCc1ccc(N2CC[C@H](O)C2)cc1)C(=O)O	1776296743	KFRWQHUMXSHNFT-ZDUSSCGKSA-N	278.352	1.210	10	20	CDCD	
Cc1ccc(C(=O)N[C@H]2CCC[C@@H]2O)c(O)c1O	163686244	RZBWGOGOWZVJSZ-UWVGGRQHSA-N	251.282	1.049	10	20	CDCD	
CCS(=O)(=O)N1CCC(NCc2ccccc2O)CC1	20202461	HFMGKHXAFPZITD-UHFFFAOYSA-N	298.408	1.296	10	20	CDCD	
CCN1CCC(NCc2cc3c(cc2O)OCO3)CC1	42880335	OIRQWUDLTFELLE-UHFFFAOYSA-N	278.352	1.695	10	20	CDCD	
COc1cccc(CNCC2([S@@](C)=O)CC2)c1O	282434961	ROPOVUVQBMOLRK-GOSISDBHSA-N	269.366	1.402	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NCc2cnnn2C)c1	287228752	GLDCGBHUVUDCDB-SECBINFHSA-N	262.313	1.380	10	20	CDCD	
C[S@](=O)CCNCc1c(O)ccc(Cl)c1F	309716948	UGDOCMDDVMXCHG-INIZCTEOSA-N	265.737	1.653	10	20	CDCD	
CC(=O)N1CCC(C(=O)Nc2ccc(N)cc2)CC1	701343310	ILRFNDWMMPPHTN-UHFFFAOYSA-N	261.325	1.466	10	20	CDCD	
COc1ccc(O)c(CNC(=O)NCc2cnn(C)c2)c1	172071878	VGFYDDZMVDLXQT-UHFFFAOYSA-N	290.323	1.134	10	20	CDCD	
CONC(=O)NC1CCN(c2ccc(OC)cc2)CC1	171061140	TUBMGOVHAQSAFM-UHFFFAOYSA-N	279.340	1.525	10	20	CDCD	
Cc1nnc(CNCc2c(O)ccc(Cl)c2F)n1C	1343586464	ZZCLPZUNEKWYMZ-UHFFFAOYSA-N	284.722	1.911	10	20	CDCD	
CN1CCC[C@H]1C(=O)NCCCSc1nccs1	114375571	BMPLLNNVJAJSHA-JTQLQIEISA-N	285.438	1.836	10	20	CDCD	
CN(CCN1C[C@@H]2CC[C@H](C1)O2)Cc1ccccc1O	367594779	SPKRAMQLBUWGEK-GASCZTMLSA-N	276.380	1.687	10	20	CDCD	
Cc1nc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)no1	184926481	WWCIYMGNFYLXOY-SSDOTTSWSA-N	277.280	1.150	10	20	CDCD	
CCS(=O)(=O)CCN[C@H](C)c1ccc(F)c(F)c1O	187695353	CYOFANTURYUFLS-MRVPVSSYSA-N	293.335	1.756	10	20	CDCD	
COc1ccc(-n2c(C)cc(C(=O)NCCO)c2C)cc1	96968163	BDTMUIAPMKAGIP-UHFFFAOYSA-N	288.347	1.825	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@H](CN)OC	232115926	WIOXVDNGKKXWGK-OAHLLOKOSA-N	293.411	1.465	10	20	CDCD	
C[C@@H](CO)NCc1cccc(Br)c1O	42411921	FXKDLBIULMEGDN-ZETCQYMHSA-N	260.131	1.625	10	20	CDCD	
O=C(CCCCN1CCOCC1)NCc1ccccc1O	269166742	XGHSVBFLOCBXEY-UHFFFAOYSA-N	292.379	1.511	10	20	CDCD	
CCN(C)C(=O)CN(C)c1ccc(OC)c(F)c1	268233580	YYSLFFVVFVHWPV-UHFFFAOYSA-N	254.305	1.749	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@]2(O)CCSC2)cc1	270775471	HZXDZSHINOEGIS-CQSZACIVSA-N	280.393	1.237	10	20	CDCD	
C[C@H]1OCC[C@]1(O)CNCc1ccc(N(C)C)c(F)c1	278748258	WBSNWOJQPHYRLP-ABAIWWIYSA-N	282.359	1.521	10	20	CDCD	
Cc1c(CNC(=O)N=c2nc[nH]n2C)n(C)c2ccccc12	547762773	KBNPMWDBLKJLSE-UHFFFAOYSA-N	298.350	1.359	10	20	CDCD	
CNS(=O)(=O)CCN[C@H](C)c1ccc(C)c(C)c1O	275897313	MOYFLTWNRKGTQG-LLVKDONJSA-N	286.397	1.209	10	20	CDCD	
COC(=O)C[C@H](C)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	274926569	MLPGFVQPYRVPQJ-VHSXEESVSA-N	295.335	1.344	10	20	CDCD	
CC(C)NC(=O)CN(C)Cc1ccc(N(C)C)c(F)c1	271052291	WYLKOCRNEGNILM-UHFFFAOYSA-N	281.375	1.848	10	20	CDCD	
CN(C)c1ccc(CNC[C@@H](CO)[C@H]2CCOC2)cc1	280427329	ZXKLBPQYOIJJHP-GJZGRUSLSA-N	278.396	1.487	10	20	CDCD	
CCN(CCOCCO)Cc1cccc(C)c1O	282401118	CQJREXSSRNIRGE-UHFFFAOYSA-N	253.342	1.531	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cnn(C)c1	808094314	JNYIKNJIZIWUKF-UHFFFAOYSA-N	280.324	1.541	10	20	CDCD	
CC[C@H](CNS(C)(=O)=O)NCc1ccc(N(C)C)cc1	294953645	DHKHFENEQVUXRT-CYBMUJFWSA-N	299.440	1.170	10	20	CDCD	
COc1ccc(CNC(=O)N[C@H]2CSC[C@H]2C)c(O)c1	805790502	AMPNXZGISOQQQL-SKDRFNHKSA-N	296.392	1.952	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN(C)C[C@@H](O)C2CC2)c1O	809752964	YDAFVOBRGWXGSA-GFCCVEGCSA-N	296.323	1.512	10	20	CDCD	
Cc1nn(C)cc1[C@H](C)NC(=O)c1c(F)ccc(O)c1O	295059887	KRRHVLWXDMMAJA-ZETCQYMHSA-N	293.298	1.770	10	20	CDCD	
C[C@H](NC1CNC1)c1ccc(Br)cc1O	817956267	VFLWVCGPNPSDQO-ZETCQYMHSA-N	271.158	1.777	10	20	CDCD	
Cc1cc(CN2CC[C@H](CO)[C@H](O)C2)ccc1N(C)C	815101179	PQIWKEVBVOMYGM-GDBMZVCRSA-N	278.396	1.236	10	20	CDCD	
C[C@@H]1C[C@H](NC[C@H](N)c2ccc(N(C)C)cc2)CCO1	817944306	ZAZRVSYAPNGRNO-XPKDYRNWSA-N	277.412	1.910	10	20	CDCD	
C[C@@H](Cn1cncn1)NCc1cc(Cl)ccc1O	725848960	DWUFKIVEBPMXSQ-VIFPVBQESA-N	266.732	1.815	10	20	CDCD	
CCc1cccc(CN2CC[C@H](N3CCOC3=O)C2)c1O	827001391	VMYAYNFUYZPDDN-AWEZNQCLSA-N	290.363	1.981	10	20	CDCD	
CCc1cccc(CNCc2nc(C(N)=O)cs2)c1O	827328463	SLODXSSYRCQHTM-UHFFFAOYSA-N	291.376	1.800	10	20	CDCD	
CC(=O)N1CCCC[C@@H]1C(=O)NCc1ccc(O)cc1O	827730983	COWXKSVUDCSCKM-CYBMUJFWSA-N	292.335	1.115	10	20	CDCD	
COCCS(=O)(=O)N[C@@H](C)c1cc(OC)ccc1O	739961911	ILMFGWOWDZQMMA-VIFPVBQESA-N	289.353	1.028	10	20	CDCD	
CO[C@H]1C[C@@H](NC(=O)c2c(F)ccc(O)c2O)C12CCC2	839800580	WTIZMFWKQCQXKK-MNOVXSKESA-N	295.310	1.924	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)NC1(CO)CCCC1	588407594	IBISFYBTYUNOQS-XQRVVYSFSA-N	277.320	1.532	10	20	CDCD	
CC(C)n1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cn1	732713805	HLYKHCMPENFOFB-RIYZIHGNSA-N	296.330	1.925	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1C[C@@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1	836842538	YIQRFHIZHOTALT-DRSRGGSCSA-N	299.326	1.523	10	20	CDCD	
CCOC(=O)C[C@@H](C)NC(=O)Nc1ccc(N)cc1	841297261	NWLPSMQPPRXIMS-SECBINFHSA-N	265.313	1.732	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@@H]2CCCC(=O)N2C)c1	913000785	VKZDRCALKMYTMR-LBPRGKRZSA-N	276.336	1.328	10	20	CDCD	
CC(C)(C)CN(CCO)C(=O)C(=O)Nc1ccc(N)cc1	841032453	DZNCCOKNNCQLBZ-UHFFFAOYSA-N	293.367	1.074	10	20	CDCD	
Oc1c(F)cc(Cl)cc1CN1CC[C@@H]2CNC[C@@H]21	841026560	IOGHYPMPPLQFGJ-PELKAZGASA-N	270.735	1.978	10	20	CDCD	
C[C@@H](NC(=O)N(C)[C@H](C)CN)c1ccc(N(C)C)cc1	841881636	UAASDFMQIFYYDD-VXGBXAGGSA-N	278.400	1.802	10	20	CDCD	
CN(C)c1ccc(CNCCN2CCCC2=O)cc1F	846076999	JXGSJCVFIMUBJN-UHFFFAOYSA-N	279.359	1.604	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H](N)C2CC2)c1	841965922	LRYOZUPHXFRYQQ-TVQRCGJNSA-N	293.367	1.498	10	20	CDCD	
Cc1ccc(C(=O)NCC2(N(C)C)CC2)c(O)c1O	841455647	XPRXBWMJRVAPHE-UHFFFAOYSA-N	264.325	1.230	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)N[C@H]1CCCNC1	841943556	QHNIDVXKWZVBFR-LBPRGKRZSA-N	263.341	1.286	10	20	CDCD	
O=C(NCc1ccccc1O)c1ccnc(-n2cccn2)c1	740083154	DZIQHRJBMLBEKX-UHFFFAOYSA-N	294.314	1.903	10	20	CDCD	
C[C@@H]1CCN(S(=O)(=O)Nc2ccc(O)cc2F)C1	758171592	WALDCTAZFIURHR-MRVPVSSYSA-N	274.317	1.530	10	20	CDCD	
COc1cc(C)cc(CN(C)C[C@@H]2COCCO2)c1O	853560877	ZIKDWGYFIJPAJS-CYBMUJFWSA-N	281.352	1.556	10	20	CDCD	
CC(C)C(=O)NCc1ccc(N2CCC(O)CC2)cc1	856210160	QCBBMGOHOURNLK-UHFFFAOYSA-N	276.380	1.920	10	20	CDCD	
C[C@H]1CN(C(=O)/C=C\c2cn(C)cn2)c2cccnc2O1	935379706	FWSPTPDPLKVSIU-GZTOBOFZSA-N	284.319	1.642	10	20	CDCD	
CNC[C@@H](C)NC(=O)NCc1ccc(N(C)C)cc1C	851656293	HZSBAJCRNNQVKG-GFCCVEGCSA-N	278.400	1.468	10	20	CDCD	
C[C@@H]1CN(C(=O)c2c(F)ccc(O)c2O)C[C@]1(C)CO	857335008	OZOYSXZULKWEKU-XLKFXECMSA-N	283.299	1.327	10	20	CDCD	
Cc1noc(C(=O)NCc2ccc(N(C)C)c(F)c2)n1	865921329	GVEQYTDHPJQSDY-UHFFFAOYSA-N	278.287	1.513	10	20	CDCD	
CNC(=O)CC1CCN(Cc2c(O)cccc2OC)CC1	769468944	QMCULGSPZWCQSK-UHFFFAOYSA-N	292.379	1.749	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)c2n[nH]c3c2CCC3)c1	862758966	RHJSTAXIVKYIQU-UHFFFAOYSA-N	271.320	1.842	10	20	CDCD	
C[C@H](NC(=O)CN1CCCC1=O)c1ccc(N(C)C)cc1	773014416	JVMARQHJGFRKIA-LBPRGKRZSA-N	289.379	1.552	10	20	CDCD	
Cc1ccc(CN[C@H]2C[C@@H]3CCCCN3C2=O)c(O)c1	877578400	CJLFWYKJYPEBIS-KBPBESRZSA-N	274.364	1.944	10	20	CDCD	
COc1cc(O)c(CN2CCc3c[nH]nc3C2)cc1OC	775712384	GRYLFCUWRKCYCU-UHFFFAOYSA-N	289.335	1.691	10	20	CDCD	
CC[C@@]1(O)CCCN(C(=O)c2c(F)ccc(O)c2O)C1	881297227	HJNVCTQZFRTIBC-CQSZACIVSA-N	283.299	1.614	10	20	CDCD	
O=C1N[C@@H](c2cc(F)cc(F)c2O)N2CCSC[C@@H]12	887329513	IRQIRGKQNWWRGI-GXSJLCMTSA-N	286.303	1.216	10	20	CDCD	
C[C@@H]1C[C@H](O)CN1Cc1cc(Cl)cc([N+](=O)[O-])c1O	788268546	FKMDQIJEOLNIQT-XCBNKYQSSA-N	286.715	1.909	10	20	CDCD	
Cn1cc([C@@H](CO)NCc2cc(F)cc(F)c2O)cn1	883076443	DDFNIHCMCADVMJ-GFCCVEGCSA-N	283.278	1.227	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)[C@@H](O)C1CCCCC1	783680481	YJOOKUNBOWSPSB-AWEZNQCLSA-N	279.336	1.655	10	20	CDCD	
CC[C@@H]1C(=O)NCCN1Cc1ccc(OC)c(OC)c1O	891923502	NRVNJGNWEBUGTL-LLVKDONJSA-N	294.351	1.120	10	20	CDCD	
COc1cc(C)cc(CN[C@@H]2CCCN(C)C2=O)c1O	894323924	SHCRLCGCTYAPCM-GFCCVEGCSA-N	278.352	1.420	10	20	CDCD	
CS[C@H](CO)[C@H](C)NCc1ccc(N(C)C)cc1	219057781	JWVBYFWIJHJNMB-SMDDNHRTSA-N	268.426	1.955	10	20	CDCD	
CCOc1ccc(CN[C@@H]2C(=O)NCC[C@@H]2C)c(O)c1	799347935	SLHAOQYWFPRMDX-HZMBPMFUSA-N	278.352	1.405	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)[C@@H]1CC12CCC2	762268600	NTBXQAUCTCIWKO-NSHDSACASA-N	261.321	1.947	10	20	CDCD	
CNC[C@@H](C)CN[C@@H](C)c1cc(C(=O)OC)ccc1O	1326473277	IIUIGSHALRADPL-MNOVXSKESA-N	280.368	1.685	10	20	CDCD	
NC[C@H]1CC[C@H](NC(=O)NCc2ccc(N)cc2)C1	1335680768	ZHUMHDBHPCFNOF-AAEUAGOBSA-N	262.357	1.195	10	20	CDCD	
NC(=O)N=Nc1ccc(C(=O)NC[C@H]2C[C@H]2C(=O)O)cc1	1601155537	JQQRUGVWINPGMD-PSASIEDQSA-N	290.279	1.300	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C(C)(C)C(=O)O	1603200049	RDOPIRNZOYMABZ-QMMMGPOBSA-N	281.308	1.256	10	20	CDCD	
CCO[C@@H](CCN(C)C)CNCc1ccc(N)cc1	1578072822	HBRKHPXPYPDIIX-HNNXBMFYSA-N	265.401	1.715	10	20	CDCD	
NCC1(NC(=O)c2ccc(N=NC(N)=O)cc2)CCCC1	1580245485	XTWBLNFBTNJVDC-UHFFFAOYSA-N	289.339	1.850	10	20	CDCD	
CC[C@H](N[C@@H](C)C(=O)N[C@@H](C)C(=O)O)c1ccccc1O	1595316518	FQYKRNTYPIWEHG-NHCYSSNCSA-N	294.351	1.411	10	20	CDCD	
Oc1ccc(CCNc2cc(-c3nn[nH]n3)ccn2)cc1O	1593540272	CYZKHBQGFYXPIT-UHFFFAOYSA-N	298.306	1.328	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)C(C)(C)C(=O)O)c1	1594373374	WHQIEKPOHAERBY-UHFFFAOYSA-N	251.282	1.428	10	20	CDCD	
CNC(=O)CCCN(C)Cc1cc(C)cc(C)c1O	164604125	CRAPJHXWCUMNOT-UHFFFAOYSA-N	264.369	1.967	10	20	CDCD	
COc1ccc(O)c(CNC(=O)Nc2cccnn2)c1	151880302	OSQSXIBSSQLTIW-UHFFFAOYSA-N	274.280	1.513	10	20	CDCD	
Cc1cccc(O)c1CNC[C@@H]1CN2CCC[C@H]2CO1	877022716	QPNZZALTXCWWNW-UONOGXRCSA-N	276.380	1.653	10	20	CDCD	
Oc1c(F)cc(F)cc1CN1CCN2CCOC[C@@H]2C1	894456493	RMFZYJGRYQQWME-LBPRGKRZSA-N	284.306	1.187	10	20	CDCD	
Nc1ccc(CC(=O)N2CCN(C3CC3)CC2)cc1	37826987	XHKAJINPEMOVAI-UHFFFAOYSA-N	259.353	1.118	10	20	CDCD	
C[C@H](C(=O)NCCc1ccc(N)cc1)n1cccn1	63129709	JOZVYBGAZNNTJF-LLVKDONJSA-N	258.325	1.385	10	20	CDCD	
CO[C@H](C1CC1)[C@@H](C)NC(=O)c1cccc(O)c1O	388281560	MRXMXSLXWAIGGD-OQPBUACISA-N	265.309	1.641	10	20	CDCD	
Nc1ccc(CC(=O)NCCN2CC=CCC2)cc1	392248863	STRADPFOPPCOIB-UHFFFAOYSA-N	259.353	1.189	10	20	CDCD	
CNC(=O)[C@@H]1CCCCN1Cc1ccc(N(C)C)cc1	179333228	IJEASNDGHZSWAS-HNNXBMFYSA-N	275.396	1.853	10	20	CDCD	
Nc1ccc(CCNC(=O)C(=O)N(C2CC2)C2CC2)cc1	1348334357	VPIOUWBLZICNIT-UHFFFAOYSA-N	287.363	1.081	10	20	CDCD	
CCS(=O)(=O)CCN(C)Cc1ccc(N)cc1	37371461	CJMPEKYKWKZBAF-UHFFFAOYSA-N	256.371	1.135	10	20	CDCD	
C[C@H](OC[C@@H]1CCCO1)C(=O)N(C)Cc1ccccc1O	70822450	DZYMRBYGIJHRFK-JSGCOSHPSA-N	293.363	1.935	10	20	CDCD	
CCOc1cccc(CN[C@@H](C)CN2CCOCC2)c1O	36933123	JZVFURCUXMTLIN-ZDUSSCGKSA-N	294.395	1.601	10	20	CDCD	
O=C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1	217067832	CNFKBWYNHJVTHK-DUXPYHPUSA-N	261.277	1.303	10	20	CDCD	
CN1CC[C@H](C(=O)N(C)Cc2ccccc2O)CC1=O	77258371	STNLAFDFLRCTST-NSHDSACASA-N	276.336	1.219	10	20	CDCD	
CC[C@@H](CCO)CNC(=O)/C=C/c1ccc(O)c(O)c1	181182467	BVKCEOHCNDYRJN-MALLOTDXSA-N	279.336	1.636	10	20	CDCD	
O=C(O)[C@@H]1CCN(Cc2c(O)cccc2Cl)C1	128826382	YVQPUJLXWGXCRW-MRVPVSSYSA-N	255.701	1.952	10	20	CDCD	
CCCOc1ccc(CN(C)C[C@H](C)O)c(O)c1	130803642	QPYWTLAFSSUQOE-NSHDSACASA-N	253.342	1.994	10	20	CDCD	
CCC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	47293561	AJGDZWFFSUHYPX-UHFFFAOYSA-N	280.343	1.813	10	20	CDCD	
CC(C)C(=O)NCCN(C)Cc1ccc(N(C)C)cc1	92103551	HUKXEBUWDGCWCY-UHFFFAOYSA-N	277.412	1.957	10	20	CDCD	
CN1CCCc2cc(CNC(=O)c3cccc(N)n3)ccc21	272420569	HLSZJKVRHGSROP-UHFFFAOYSA-N	296.374	1.976	10	20	CDCD	
Cc1ncncc1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	274954011	RXGHTFHOUJYNCV-SECBINFHSA-N	287.319	1.557	10	20	CDCD	
Cc1ccc(O)c(CN2CC[C@@H](N3CCCC3=O)C2)c1	276826888	QCGRISUASALMBT-CQSZACIVSA-N	274.364	1.897	10	20	CDCD	
C[C@H](NCCN(C)C)c1ccc(N2CCOCC2)c(F)c1	287183172	VJKIDHDPIACPOA-ZDUSSCGKSA-N	295.402	1.875	10	20	CDCD	
C[C@@H](CNCc1cc2c(cc1O)OCO2)N(C)C	42880317	NIDKRABQYIHSGU-VIFPVBQESA-N	252.314	1.161	10	20	CDCD	
CN(C)c1ccc(Cn2cccc([N+](=O)[O-])c2=O)cc1	814746102	QBTIXFPAWFDUBX-UHFFFAOYSA-N	273.292	1.871	10	20	CDCD	
CN(C[C@H](O)CNc1ccccc1OCCF)C1CC1	819489937	YZFQBFOTNIRCBK-CYBMUJFWSA-N	282.359	1.902	10	20	CDCD	
COC(=O)c1cnc(SC[C@H]2CCN(C)C2)s1	829677714	JCNJBZJLFSUXIY-QMMMGPOBSA-N	272.395	1.974	10	20	CDCD	
CCOC(=O)CN(Cc1cc[nH]n1)Cc1ccccc1O	822511316	CKDMQNWYGMUJES-UHFFFAOYSA-N	289.335	1.681	10	20	CDCD	
CO[C@H]1COCC[C@@H]1CNCc1cc2c(cc1O)OCO2	824710041	VPZSAPCILGULFA-BMIGLBTASA-N	295.335	1.262	10	20	CDCD	
CO[C@H](CN)CC(=O)NCc1ccc(N(C)C)cc1C	829764788	XNMDEDHPJXAVIM-AWEZNQCLSA-N	279.384	1.041	10	20	CDCD	
CN(C)c1ccc(CNC[C@@H]2COCCO2)cc1F	733324928	LNNMWMDDONBQCV-GFCCVEGCSA-N	268.332	1.397	10	20	CDCD	
CCOc1ccc(CNC[C@H](O)C2CC2)c(O)c1	734844602	QKPRTKRKIUWCRR-AWEZNQCLSA-N	251.326	1.651	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@H]2[C@H]3CCC(=O)[C@H]32)cc1	905317041	FECQITKLVBWOON-AEGPPILISA-N	272.348	1.594	10	20	CDCD	
CC(C)(C)O[C@@H]1C[C@H]1C(=O)NCCc1ccc(O)c(O)c1	830532758	ZHKYZWUCWDBIFL-BXUZGUMPSA-N	293.363	1.960	10	20	CDCD	
C[C@@H](CCCO)CNC(=O)/C=C/c1ccc(O)c(O)c1	833889241	RINVMXBBBMKVJM-ZRQQLDRUSA-N	279.336	1.636	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)C2(N(C)C)CC2)c1	830541089	SAVWEVOPYJAUDB-SNVBAGLBSA-N	278.352	1.672	10	20	CDCD	
CC(C)(O)CCNC(=O)NCCc1ccc(N)cc1	841881952	FROWJEULNPFPET-UHFFFAOYSA-N	265.357	1.272	10	20	CDCD	
CC[C@@H](N)C(=O)N(C)CCN(C)c1ccc(OC)cc1	846697368	OTRNCUAPVRENHP-CQSZACIVSA-N	279.384	1.327	10	20	CDCD	
C[C@H]1CCCCN(C(=O)C(=O)Nc2ccc(N)cc2)C1	841089744	NOZWPHPMWGPQFH-NSHDSACASA-N	275.352	1.856	10	20	CDCD	
CCC[C@@H](O)CC(=O)NCc1ccc(O)cc1O	910949125	FQTGLZDQAYKNIW-SNVBAGLBSA-N	253.298	1.265	10	20	CDCD	
C[C@@H]1CN(Cc2cccc(Br)c2O)C[C@H]1N	843120328	FMCYVBWGJMPQFS-LDYMZIIASA-N	285.185	1.934	10	20	CDCD	
CC(C)[C@@H]1CCN1C(=O)C(=O)Nc1ccc(N)cc1	841113489	GJAXNIBFXNJFTQ-LBPRGKRZSA-N	261.325	1.464	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)c1conc1C(C)(C)N	848397777	LJTBYJAMOFOVPD-UHFFFAOYSA-N	289.335	1.846	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1CCN1C	925399930	QUVLFATVIBVEQM-HNNXBMFYSA-N	290.411	1.598	10	20	CDCD	
Oc1ccc(Cl)cc1CNCCN1CC[C@H](O)C1	858339286	VMBFOOREAIRYIJ-LBPRGKRZSA-N	270.760	1.202	10	20	CDCD	
Cc1ccc(C(=O)N[C@H]2CCN(CC3CC3)C2)c(O)c1O	751537842	JTRXBZJFQMYESR-LBPRGKRZSA-N	290.363	1.620	10	20	CDCD	
C[C@H](O)[C@@H](O)CN(C)Cc1ccc(N2CCCCC2)cc1	929185631	WFJWGUSJQUSOOS-YOEHRIQHSA-N	292.423	1.850	10	20	CDCD	
CNC[C@H](C)NCc1ccc(N2CCOCC2)c(F)c1	853249029	BGNPIXXMUVTFGT-LBPRGKRZSA-N	281.375	1.360	10	20	CDCD	
CC[C@](COC)(NC(=O)c1cc(O)cs1)C(=O)OC	854903161	VAVHXXYFRIJTPM-GFCCVEGCSA-N	287.337	1.152	10	20	CDCD	
COc1cc(O)c(CN(C)C[C@H]2COCCO2)cc1OC	853557562	MCFXJVIRMYRWDQ-LBPRGKRZSA-N	297.351	1.257	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@@H]2C[C@@]23CCOC3)c1	862756933	BAPFCEOTUXAFFJ-SWLSCSKDSA-N	261.321	1.743	10	20	CDCD	
COCc1nc(C(=O)NCc2cc(C)ccc2O)no1	862757581	ZEURTKNXTDTOLD-UHFFFAOYSA-N	277.280	1.160	10	20	CDCD	
CCC(=O)N1CC[C@@H](NCc2c(C)cccc2O)C1	877086774	APKMRVVKCORJDG-GFCCVEGCSA-N	262.353	1.801	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)NCc2nonc2C)c1	872135978	JTOXZEZYKNJNGQ-QMMMGPOBSA-N	291.307	1.721	10	20	CDCD	
CN(C[C@H](O)C1CC1)C(=O)/C=C\c1ccc(O)c(O)c1	779529856	VXOAYZAKOVVVQX-UMSKNGNOSA-N	277.320	1.340	10	20	CDCD	
CCN(C)c1ccc(CN2C[C@H](O)C[C@H]2CO)cc1	773816560	LADAOLJRPRZRFL-LSDHHAIUSA-N	264.369	1.070	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC1CCN(C=O)CC1	774195046	ZVONJWXEUXCNPS-UHFFFAOYSA-N	275.396	1.771	10	20	CDCD	
O=C(COC(=O)c1cccc(O)c1O)NCc1ccco1	776281450	DFPZFHJTGGKBTM-UHFFFAOYSA-N	291.259	1.164	10	20	CDCD	
CC(C)NS(=O)(=O)N[C@@H](C)c1ccc(N(C)C)cc1	773088961	QSUFIOYTVSQBNU-NSHDSACASA-N	285.413	1.646	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NC2CC(C(=O)O)C2)cc1	874382287	ADBHDWANIYHMJR-UHFFFAOYSA-N	291.351	1.415	10	20	CDCD	
Cc1ccc(C(=O)N2CC(=O)CC[C@H]2C)c(O)c1O	885084404	LLXROMSGORUEGJ-SECBINFHSA-N	263.293	1.600	10	20	CDCD	
CC[C@H](C(=O)N[C@H](C)c1ccccc1O)[C@@H](C)O	881440446	BRUVHFUVGNXALE-MXWKQRLJSA-N	251.326	1.976	10	20	CDCD	
CC(C)C(=O)NCCN[C@@H](C)c1c(O)cccc1F	886490083	YZIFLPHWOILMFZ-JTQLQIEISA-N	268.332	1.954	10	20	CDCD	
O=C(C[C@@H]1CCCCO1)OCC(=O)c1ccc(O)c(O)c1	784083353	LBUDLEUOVLCRMU-NSHDSACASA-N	294.303	1.783	10	20	CDCD	
C[C@H]1CN(Cc2cc(F)cc(F)c2O)CC[C@@H]1O	894497754	PXGURUNVHIQPHX-UFBFGSQYSA-N	257.280	1.873	10	20	CDCD	
CCO[C@@H]1C[C@](O)(CNC(=O)c2cc(O)cs2)C1(C)C	789919037	QWQWBULKYOYJCW-RISCZKNCSA-N	299.392	1.750	10	20	CDCD	
Cc1ccc(C(=O)N[C@@](C)(CO)C2CC2)c(O)c1O	780984202	UBSFITRTNMNBRE-AWEZNQCLSA-N	265.309	1.297	10	20	CDCD	
COC(=O)CN(Cc1ccc(OC)c(OC)c1O)C(C)C	891683780	JICSBYSTNAVFEX-UHFFFAOYSA-N	297.351	1.793	10	20	CDCD	
Cc1ccc(O)c(CN2CCC(n3cnnc3O)CC2)c1	894609417	KOPMAANWVBNEDP-UHFFFAOYSA-N	288.351	1.835	10	20	CDCD	
COc1cccc(O)c1CN1CC[C@H](c2n[nH]c(C)n2)C1	895008233	UFZVJGFFCVZUNI-NSHDSACASA-N	288.351	1.817	10	20	CDCD	
COc1ccc(O)c(CN2CCO[C@H](OC)C2)c1	895969185	YTRBRUCWZPHKMM-ZDUSSCGKSA-N	253.298	1.206	10	20	CDCD	
CCO[C@@H]1COCC[C@@H]1NC(=O)c1cccc(O)c1O	790933730	XYGJNPLKLPKOBK-CMPLNLGQSA-N	281.308	1.022	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CC1OCCCO1	793800230	QSDSDJFTBZGHGJ-JTQLQIEISA-N	295.335	1.298	10	20	CDCD	
O=C(O)CCNCc1ccc(Br)cc1O	691413004	IERSRXTZRZUFPO-UHFFFAOYSA-N	274.114	1.719	10	20	CDCD	
C[C@H](CN1CCOCC1)N(C)C(=O)c1cc(O)cs1	791020804	WCUQKEIHSUGJCC-SNVBAGLBSA-N	284.381	1.246	10	20	CDCD	
Cc1ccc(O)c([C@@H](C)NC[C@@H](O)CN(C)C)c1	717354932	RNCIQEAZWWPKFZ-VXGBXAGGSA-N	252.358	1.274	10	20	CDCD	
Nc1ccc(CNC(=O)N2CCCC[C@H]2CCO)cc1	1335724651	HSNAAPMAVQIVNO-AWEZNQCLSA-N	277.368	1.715	10	20	CDCD	
C[C@H](CCN(C)C)NC(=O)NCc1ccc(N)cc1	1335687189	NUJGANDGDSGIST-LLVKDONJSA-N	264.373	1.408	10	20	CDCD	
COc1cccc(O)c1CNC[C@H](C(=O)O)C(C)C	1604871510	RQMQDLCPALXBGK-JTQLQIEISA-N	267.325	1.847	10	20	CDCD	
CC[C@@H](C)NC(=O)CN(C)c1ccc(OCC(=O)O)cc1	1604968133	IMZAKPUXCWDOCW-LLVKDONJSA-N	294.351	1.501	10	20	CDCD	
Nc1c(NC(=O)c2cccc(O)c2O)cccc1C(=O)O	1610649442	BVPKKTAXTNQASU-UHFFFAOYSA-N	288.259	1.631	10	20	CDCD	
Oc1cc2c(cc1CNC[C@@H](O)C(F)(F)F)OCO2	227439405	LATQTESSTYTOGG-SNVBAGLBSA-N	279.214	1.134	10	20	CDCD	
Cc1nc(O)nc(S)c1C(=O)N(C)c1ccc(N)cc1	1579512341	RUAATVQCVYKFJU-UHFFFAOYSA-N	290.348	1.638	10	20	CDCD	
COC(=O)CN(C)c1ccc(/C=C\C(=O)O)cc1[N+](=O)[O-]	1598859636	KUIYVFLHOJIPOL-XQRVVYSFSA-N	294.263	1.302	10	20	CDCD	
COc1cc(C)c(CNC[C@]2(C(=O)O)CCOC2)c(O)c1	1599391228	MBYZSFXQNDOIAZ-OAHLLOKOSA-N	295.335	1.290	10	20	CDCD	
C[C@H](NC(=O)c1c[nH]c(C(=O)O)c1)c1ccccc1O	1599899791	PLKGTUNWTAOOSY-QMMMGPOBSA-N	274.276	1.910	10	20	CDCD	
CCN(C)c1ccc(CN2CCN(CC(=O)O)CC2)cc1	1776855922	OGUUYDJYQHOFNA-UHFFFAOYSA-N	291.395	1.345	10	20	CDCD	
Cc1ccc(CNCCSCCCO)c(O)c1	877014160	OBSOHTSJRXCJHH-UHFFFAOYSA-N	255.383	1.906	10	20	CDCD	
Cc1ccc(CN2CC[C@@H](S(C)(=O)=O)C2)c(O)c1	877499945	MVCRCKSXYRXZRS-GFCCVEGCSA-N	269.366	1.320	10	20	CDCD	
C[C@H](NCc1ccc(N(C)C)cc1)c1nncn1C	37016656	DBIUWJIDOOAXHP-NSHDSACASA-N	259.357	1.732	10	20	CDCD	
COc1ccc(O)c(CN2C[C@H](C)S(=O)(=O)[C@@H](C)C2)c1	290814598	GJSXWUYSCZAMSU-QWRGUYRKSA-N	299.392	1.408	10	20	CDCD	
CNC(=O)[C@@H](C)CN(C)Cc1cc(OC)ccc1O	180681616	AEXUKRCSIPDYOM-JTQLQIEISA-N	266.341	1.215	10	20	CDCD	
CC[C@H](C)N(CC(=O)O)C(=O)c1cccc(O)c1O	126003570	QKBBEZYXMSAMEP-QMMMGPOBSA-N	267.281	1.423	10	20	CDCD	
COC(=O)N1CC(N[C@@H](C)c2ccc(N(C)C)cc2)C1	181468619	MEORGDDBQMVMBA-NSHDSACASA-N	277.368	1.854	10	20	CDCD	
COC(=O)CCCNC(=O)N(C)Cc1ccccc1O	79202768	MCLSJZGVTUGUJB-UHFFFAOYSA-N	280.324	1.487	10	20	CDCD	
COCCN(CC(=O)OC)Cc1cc(C)ccc1O	93416325	YHJUVEMXNZLSPC-UHFFFAOYSA-N	267.325	1.322	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)[C@H]1C[C@H]2CC[C@H]1O2	269110992	RGZRHNHQKHKEBY-GBIKHYSHSA-N	263.293	1.282	10	20	CDCD	
C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)[C@H]1CCOC1	272653998	NLWLGJSXMKOLOV-BIZURNDZSA-N	277.320	1.652	10	20	CDCD	
CCn1cc(CNCc2cc(OC)c(OC)cc2O)cn1	271850056	SSLCVGPBYMXLSB-UHFFFAOYSA-N	291.351	1.916	10	20	CDCD	
CNS(=O)(=O)[C@@H]1CCCN(Cc2cccc(C)c2O)C1	362236000	CVFLTTYXKXRWBU-CYBMUJFWSA-N	298.408	1.214	10	20	CDCD	
COC(=O)[C@]1(NCc2ccc(N(C)C)cc2)CCOC1	278898498	RHPAMHRMTJRFEM-HNNXBMFYSA-N	278.352	1.174	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)NCCN(C)C)c1	287017220	KXLUDURHXOMIQE-SNVBAGLBSA-N	266.341	1.391	10	20	CDCD	
CCOc1cccc(CN2CC(=O)NCC2(C)C)c1O	282886936	YYFPOMBHEPLXPX-UHFFFAOYSA-N	278.352	1.501	10	20	CDCD	
O=C(NCc1ccc(N2CCOCC2)cc1)c1ccon1	299443576	ZFDOMYDRCCFOMG-UHFFFAOYSA-N	287.319	1.441	10	20	CDCD	
CN(CCOCCO)Cc1c(O)ccc(Cl)c1F	800546373	NDLAESYDFMRRMY-UHFFFAOYSA-N	277.723	1.625	10	20	CDCD	
Cc1ccc(N(C)C(=O)/C=C/c2cnn(C)c2)nc1	809347089	VQRLKBZPVNPPNG-FNORWQNLSA-N	256.309	1.800	10	20	CDCD	
Cc1cc(C(=O)N(C)CCO)c(C)n1-c1ccccn1	298351743	UBBNJSIIQSMYQP-UHFFFAOYSA-N	273.336	1.553	10	20	CDCD	
Cc1ncc(/C=C\C(=O)N2CCn3nccc32)s1	492780405	FQHHLMGRUXZWET-IHWYPQMZSA-N	260.322	1.708	10	20	CDCD	
CCn1nnc(C)c1CNCc1ccc(N(C)C)cc1	823609013	NNBUPRQZGMMLNU-UHFFFAOYSA-N	273.384	1.962	10	20	CDCD	
CCn1nc(C)c(CNCc2cc(F)ccc2O)n1	822494372	NCSHLOAPGLFTCX-UHFFFAOYSA-N	264.304	1.741	10	20	CDCD	
CCn1nc(C(=O)N[C@H](C)c2ccccc2O)ccc1=O	827937168	MYQBRABUKSXENX-SNVBAGLBSA-N	287.319	1.460	10	20	CDCD	
CC[C@H](C)NC(=O)[C@@H](C)OC(=O)c1cc(O)cs1	732353526	SMYXLSTYKTTWLD-JGVFFNPUSA-N	271.338	1.914	10	20	CDCD	
COC[C@@H]1COCCN1Cc1c(O)ccc2ccncc12	902564617	UWHWCHMTIHLERN-CYBMUJFWSA-N	288.347	1.788	10	20	CDCD	
CCO[C@H](CC)C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1	832279860	MAAIJOIRBIZEOT-HUUCEWRRSA-N	293.411	1.684	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2ccnc(C3CC3)n2)c1	734015070	XVLNZKSYXRLOHJ-UHFFFAOYSA-N	299.330	1.998	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NC[C@@](C)(O)C2CC2)cc1	732672327	GEWUXZFMSUOXOA-MRXNPFEDSA-N	291.395	1.713	10	20	CDCD	
COc1ccc(O)c(CNC(=O)N2CCCC2)c1	734005929	DABQHCZERGZUKR-UHFFFAOYSA-N	250.298	1.706	10	20	CDCD	
CCn1nc(C)c(COC(=O)c2ccc(C)c(O)c2O)n1	837488751	NHVIPFJGUGQROS-UHFFFAOYSA-N	291.307	1.683	10	20	CDCD	
COc1ccc(O)c([C@H](C)N[C@@H]2CCN(C)C2)c1	42544473	XWLLTLJUKSCESQ-WDEREUQCSA-N	250.342	1.756	10	20	CDCD	
Nc1ccc(CCNC(=O)N2CC[C@@H]3OCC[C@@H]3C2)cc1	831177927	GCZGZFBNXHNILU-HIFRSBDPSA-N	289.379	1.632	10	20	CDCD	
CO[C@@H](C1CC1)[C@@H](C)NC(=O)c1ccc(C)c(O)c1O	837014615	QEJHWMCCICHKPE-YMTOWFKASA-N	279.336	1.950	10	20	CDCD	
CCCn1cc(C(=O)NCc2ccc(O)cc2O)cn1	910949645	NATUBZSDVUYLFE-UHFFFAOYSA-N	275.308	1.634	10	20	CDCD	
CC(C)[C@@](C)(O)CNC(=O)NCCc1ccc(N)cc1	841955205	VNGGGFKBZBFBBK-HNNXBMFYSA-N	279.384	1.518	10	20	CDCD	
COc1ccc(O)c([C@@H](C)N[C@@H](CO)CCF)c1	846097469	PILMMEXHLIZKMA-NXEZZACHSA-N	257.305	1.772	10	20	CDCD	
C[C@H]1CCCN(C(=O)C(=O)Nc2ccc(N)cc2)[C@H]1C	841047482	CCYSJGPJDJQCPE-QWRGUYRKSA-N	275.352	1.854	10	20	CDCD	
CCNCC(=O)NCc1ccc(N(CC)CC)cc1	844172901	JIBNEZRHQUFLJH-UHFFFAOYSA-N	263.385	1.759	10	20	CDCD	
CCONC(=O)CNCc1ccc(N(CC)CC)c(F)c1	846089843	XQLXUSMQSNBGPH-UHFFFAOYSA-N	297.374	1.829	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2CC[C@@H](CN)C2)c1O	843048227	CIURSHGWGOPEJN-VIFPVBQESA-N	281.312	1.090	10	20	CDCD	
COCCC1(C)CN(C(=O)NCCc2ccc(N)cc2)C1	841956321	CDQSZDRMZZTUMH-UHFFFAOYSA-N	291.395	1.879	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)NCCN)cc1F	841798189	GQLPNSAYXDGHGW-UHFFFAOYSA-N	282.363	1.430	10	20	CDCD	
COc1cccc(O)c1CN(C[C@@H](C)O)C1CC1	848928442	DJNOBGRTAJJTHP-SNVBAGLBSA-N	251.326	1.746	10	20	CDCD	
Oc1c(F)cccc1CN1CC[C@H](N2CCNCC2)C1	843120673	AVDFMWPTIKNQJO-ZDUSSCGKSA-N	279.359	1.011	10	20	CDCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N[C@H]1[C@@H]2CNC[C@@H]21	841831956	ISRWPUFCZSCJLM-ZSHCYNCHSA-N	298.390	1.080	10	20	CDCD	
CC(C)NC(=O)CNC(=O)NCc1cc(Cl)ccc1O	844862551	NHGYGXQALBLLPW-UHFFFAOYSA-N	299.758	1.369	10	20	CDCD	
CCN(CC)C(=O)CN[C@H](C)c1cc([N+](=O)[O-])ccc1O	756458713	UKJZXJBVHGGWCK-SNVBAGLBSA-N	295.339	1.819	10	20	CDCD	
COc1ccc(N2CC[C@H](NC(=O)[C@H]3C[C@@H](N)C3)C2)cc1	852899995	FVDZHMNZKVUFNJ-XQQFMLRXSA-N	289.379	1.127	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NCCOCCF)c1	858627949	WKLQVTPERLYUKD-UHFFFAOYSA-N	270.304	1.486	10	20	CDCD	
Cc1cc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)nn1C	753643260	FUXQPPCHPWUVSI-VIFPVBQESA-N	289.335	1.501	10	20	CDCD	
COc1ccc(CNC(=O)CN(C)C2CCC2)c(O)c1	863912887	SKADEVKRHZLXGW-UHFFFAOYSA-N	278.352	1.501	10	20	CDCD	
C[C@H](C(=O)NCc1ccc(O)c(O)c1)n1cccn1	768920815	XVFIBZGYGZYXDH-SECBINFHSA-N	261.281	1.172	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)CN(C)C(C)C)c1	862758905	QDUXVVZMDNSFKK-UHFFFAOYSA-N	250.342	1.657	10	20	CDCD	
COc1cccc(CN2CCC(OCCO)CC2)c1O	769537028	GUPUCWIEKQSCAQ-UHFFFAOYSA-N	281.352	1.374	10	20	CDCD	
C[C@@H](OC[C@@H]1CCCO1)C(=O)N(C)c1ccc(N)cc1	877078423	PJWJEWSDWPRUCL-RISCZKNCSA-N	278.352	1.816	10	20	CDCD	
COC[C@H](NCc1ccc(C)cc1O)[C@@H]1CCCO1	877490050	SRNNHEBEILTVOI-ZFWWWQNUSA-N	265.353	1.984	10	20	CDCD	
COc1cccc(CN2CCn3ncnc3C2)c1O	770664431	MIIQOMGXNGOZBR-UHFFFAOYSA-N	260.297	1.008	10	20	CDCD	
COCC1CN(Cc2ccc(N3CCC(O)CC3)cc2)C1	895975471	XZVFNYZJUQGIJX-UHFFFAOYSA-N	290.407	1.726	10	20	CDCD	
CC1(C)OCC(NCc2ccc3c(c2)CCO3)CO1	758012112	MFHRSHDMBHMUOJ-UHFFFAOYSA-N	263.337	1.863	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)C[C@@H]1CSCCN1	91136861	AZKZYSMPCGFCFY-GFCCVEGCSA-N	280.393	1.446	10	20	CDCD	
Cn1cc(CCNCc2ccc3c(c2)CCO3)cn1	108098658	MAROJPVVIISSJO-UHFFFAOYSA-N	257.337	1.687	10	20	CDCD	
CN(Cc1cc(C(=O)O)no1)c1ccc2c(c1)OCO2	1606147825	TVWIIMXUMCCCQQ-UHFFFAOYSA-N	276.248	1.738	10	20	CDCD	
Cc1nccn1CCN[C@@H](C)c1cc(C(=O)O)ccc1O	1607989742	RNPUULSJRHUQGC-JTQLQIEISA-N	289.335	1.946	10	20	CDCD	
CCOc1cccc(CN[C@@H](C)CC(=O)O)c1O	1610372759	DNHWXTCEUYHKOJ-VIFPVBQESA-N	253.298	1.744	10	20	CDCD	
COc1ccc(CNC[C@H](C(=O)O)C(C)C)c(O)c1OC	1594094314	FZRNMGYARMBCDB-NSHDSACASA-N	297.351	1.856	10	20	CDCD	
CCOCCN[C@@H](CC)c1cccc(-c2nn[nH]n2)c1O	1590813524	SCUHMPUITTZRHZ-LBPRGKRZSA-N	291.355	1.650	10	20	CDCD	
CCNC(=O)NC(=O)[C@@H](C)N(C)c1ccc(OC)c(F)c1	156859229	LJGOKHKFLVDXEI-SECBINFHSA-N	297.330	1.505	10	20	CDCD	
Cc1cc(C(=O)N[C@H](CN)C2CC2)c(C)n1-c1ccccn1	159223036	QMQYTWGLADLYAH-OAHLLOKOSA-N	298.390	1.956	10	20	CDCD	
CCC[C@@H](O)CCNC(=O)Nc1ccc(N)cc1	926141030	CVZVNSJNYOVOSX-GFCCVEGCSA-N	251.330	1.941	10	20	CDCD	
Cc1cccc(O)c1CNC[C@H]1CCS(=O)(=O)C1	876913241	OZTDJSJKGJBIFF-LLVKDONJSA-N	269.366	1.225	10	20	CDCD	
O=S1(=O)CCC(NCc2ccc3c(c2)CCO3)CC1	37363110	ZOJIULAFYSEPPC-UHFFFAOYSA-N	281.377	1.288	10	20	CDCD	
COc1cccc(CN2CC[C@H](C)[C@@H](CN)C2)c1O	163439627	YVMHBBXRFPNAQF-AAEUAGOBSA-N	264.369	1.818	10	20	CDCD	
CCN(CC)C(=O)CN(C)Cc1cc(F)ccc1O	183246191	FQRCHXVSKJSONZ-UHFFFAOYSA-N	268.332	1.832	10	20	CDCD	
COC[C@@H](CCO)NCc1cc(F)cc(F)c1O	708454649	QEXZNHIHLUZFBN-SNVBAGLBSA-N	261.268	1.157	10	20	CDCD	
C[C@H](CN1CCCC1=O)NCc1cc(F)cc(F)c1O	708536026	UCIYNYLPXQQHFQ-SECBINFHSA-N	284.306	1.771	10	20	CDCD	
CCC(=O)NCCN1CCN(c2ccc(OC)cc2)CC1	102796891	JTHORRTVIONYLW-UHFFFAOYSA-N	291.395	1.343	10	20	CDCD	
COc1cc(O)c(CN2CCC(C)(O)CC2)cc1OC	179447246	ZBEWGIOOJFQKMS-UHFFFAOYSA-N	281.352	1.756	10	20	CDCD	
C[C@@H]1CS(=O)(=O)CCN1Cc1ccc(N(C)C)cc1	179767781	VUVJJFDOLYTVCC-GFCCVEGCSA-N	282.409	1.372	10	20	CDCD	
O=C(CSC(F)F)NCc1cccc(O)c1O	1347542128	JGYUPDHUQHPSIW-UHFFFAOYSA-N	263.265	1.670	10	20	CDCD	
C[C@H](CN)NCc1ccc(N2CCN(C)CC2)c(F)c1	1348514762	HEARXTTYGIKWEA-GFCCVEGCSA-N	280.391	1.014	10	20	CDCD	
CCNC(=O)N1CCN(Cc2cc(OC)ccc2O)CC1	179621050	OCEMYAKFDDQUKP-UHFFFAOYSA-N	293.367	1.248	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NCC2(O)CCC2)cc1F	304293396	MXAIHOMTAAOQHZ-UHFFFAOYSA-N	295.358	1.606	10	20	CDCD	
Cc1ccc(C(=O)N2CCO[C@H](C)[C@@H]2C)c(O)c1O	182822050	CSCBHARSEXUQOO-VHSXEESVSA-N	265.309	1.656	10	20	CDCD	
O=C(NCc1ccc(O)cc1)c1cccc(O)c1O	126577679	QDJKUWBRWJZIKS-UHFFFAOYSA-N	259.261	1.733	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N[C@]2(C)CCOC2)cc1	129255662	TZDAEAQSZQGCDH-OAHLLOKOSA-N	277.368	1.731	10	20	CDCD	
COc1ccc(N(C)C[C@@H](O)CSC)c(OC)c1	188124664	ALKGKJJELOKSGD-SNVBAGLBSA-N	271.382	1.864	10	20	CDCD	
C[C@H](C(=O)N(C)Cc1ccccc1O)N1CCSCC1	133160488	DPYTZQVGJDMLQM-GFCCVEGCSA-N	294.420	1.788	10	20	CDCD	
CCOC[C@@H](O)CN(C)c1ccc(OC)c(F)c1	131425571	MHVLWBGNPPTALZ-NSHDSACASA-N	257.305	1.668	10	20	CDCD	
CC1(C)NC(=O)N(CCSc2nccs2)C1=O	48876236	MWWCQHMTYTUKAT-UHFFFAOYSA-N	271.367	1.566	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CCCN1C	437012269	KTBDCRZJWAKAMW-AWEZNQCLSA-N	289.379	1.572	10	20	CDCD	
COc1cccc(CNC(=O)N[C@@H](C)[C@H]2CCOC2)c1O	266793106	NAMKMQPLUUTAKI-JQWIXIFHSA-N	294.351	1.625	10	20	CDCD	
O=C(CNCc1cc(Cl)cc([N+](=O)[O-])c1O)NC1CC1	263683396	NBHMZRXVMFDIAO-UHFFFAOYSA-N	299.714	1.322	10	20	CDCD	
Cc1cccc(CN2CCC[C@@H](N3CCNC3=O)C2)c1O	367738459	AVHLDNUOBCEVPQ-CQSZACIVSA-N	289.379	1.690	10	20	CDCD	
CSC[C@H](C)NC(=O)c1c(F)ccc(O)c1O	276559128	IUMYBMXTNGCFPO-LURJTMIESA-N	259.302	1.718	10	20	CDCD	
COCCCN[C@H](C)c1cc([N+](=O)[O-])ccc1O	273435708	WXPMLEKPCJXERP-SECBINFHSA-N	254.286	1.988	10	20	CDCD	
CC(=O)C(=O)CSc1nnc(NCC(F)(F)F)s1	289594313	JRLPBBDJLJYQCO-UHFFFAOYSA-N	299.299	1.763	10	20	CDCD	
Cc1ccc(O)c(CN2CCOC[C@@H]2c2noc(C)n2)c1	374819257	MDXQOYYBINFSJV-CYBMUJFWSA-N	289.335	1.966	10	20	CDCD	
Cc1ccc(C(=O)N[C@](C)(C(N)=O)C(C)C)c(O)c1O	286327162	BEACPBJWIVSIMS-AWEZNQCLSA-N	280.324	1.036	10	20	CDCD	
C[C@H](O)CNc1cc(N(C)Cc2ccccc2O)ncn1	298523616	BYCHSLHPEWENRR-NSHDSACASA-N	288.351	1.611	10	20	CDCD	
COC(=O)CNC(=O)c1cc(C)n(-c2ccccn2)c1C	298284161	CDLIYCLWJDOIDY-UHFFFAOYSA-N	287.319	1.392	10	20	CDCD	
NC(=O)c1ccc(NCc2c(O)ccc3c2CCCC3)nn1	290741457	HIHVWWBZQFNYOD-UHFFFAOYSA-N	298.346	1.772	10	20	CDCD	
CCOc1ccc(CN2CC[C@H](S(C)(=O)=O)C2)c(O)c1	800534273	IYUDVVGDZUOHQM-ZDUSSCGKSA-N	299.392	1.410	10	20	CDCD	
COC[C@]1(CN[C@H]2CCc3cccc(O)c32)CCCN1	817975032	QBFFNHNNGLXKHD-XJKSGUPXSA-N	276.380	1.738	10	20	CDCD	
C[C@@H]1C[C@@H](NC[C@H]2CNCCO2)c2c(O)ccc(F)c21	817984166	VQYLDTYLKMEVSN-CKYFFXLPSA-N	280.343	1.658	10	20	CDCD	
CN(C)c1ccc(CNC(=O)C[C@@H]2CCOC2)cc1	739485309	QFUFOYDSVKSCSA-ZDUSSCGKSA-N	262.353	1.795	10	20	CDCD	
COc1ccc(O)c(CNC[C@H]2CCCN2CCCO)c1	824564920	NWXJBSUMKRVDDY-CQSZACIVSA-N	294.395	1.337	10	20	CDCD	
CCCONC(=O)NCc1ccc(OC)cc1O	828323110	VOLDRFXZRZKIKS-UHFFFAOYSA-N	254.286	1.542	10	20	CDCD	
C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)c1cc(O)cs1	733366298	PYCFSEMJEGZHAH-YUMQZZPRSA-N	291.394	1.347	10	20	CDCD	
CC(C)n1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cn1	732713807	HLYKHCMPENFOFB-ZSOIEALJSA-N	296.330	1.925	10	20	CDCD	
NC(=O)C1(C(=O)NCCCSc2nccs2)CC1	733972020	ILWUXGFOIKJKJJ-UHFFFAOYSA-N	285.394	1.007	10	20	CDCD	
Cc1cnc(CCNCc2cc3c(cc2O)OCO3)cn1	835062104	RCSDXZGRJZWZON-UHFFFAOYSA-N	287.319	1.552	10	20	CDCD	
CN1CCC[C@@H](CCNC(=O)c2cc(O)cs2)C1	839800250	VPBIITVPPOPMEI-JTQLQIEISA-N	268.382	1.915	10	20	CDCD	
COCn1ccc(C(=O)NCc2cccc(OC)c2O)n1	830541530	ZMFXDZOWGXHLEN-UHFFFAOYSA-N	291.307	1.131	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)c1cnc2n1CCC2	830559502	PCHMVTQVGWNICM-UHFFFAOYSA-N	273.292	1.171	10	20	CDCD	
CO[C@@H](C)CCC(=O)NC[C@@H](N)c1ccc(N(C)C)cc1	832285766	UCYHNZRDJYDZIE-SWLSCSKDSA-N	293.411	1.684	10	20	CDCD	
C[C@H]1C[C@@H](NCc2ccc(N3CCOCC3)c(F)c2)CO1	842669789	CVOUONCAZFAWCH-GXTWGEPZSA-N	294.370	1.929	10	20	CDCD	
C[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)[C@H](C)CN1	843119665	BDRTWUBBPYQKCH-HUUCEWRRSA-N	289.423	1.705	10	20	CDCD	
Nc1ccc(NC(=O)C(=O)NC2[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)cc1	841077580	BVLAFCKEZYQRJJ-RBJBARPLSA-N	285.347	1.368	10	20	CDCD	
C[C@H]1SCC[C@H]1NC(=O)c1c(F)ccc(O)c1O	844153755	QKJVSRRBSRGDRQ-HTRCEHHLSA-N	271.313	1.861	10	20	CDCD	
CNCCNC1CCN(c2ccc(OC)cc2)CC1	841034847	GEAYTFAZZWIUDI-UHFFFAOYSA-N	263.385	1.473	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)OCCOC1CC1	922545228	IUNPXFMUDWVALK-KXFIGUGUSA-N	264.277	1.833	10	20	CDCD	
C[C@@H](CN)N(C)C(=O)NCCCSc1nccs1	841857701	QRILYSGCCWFXGQ-VIFPVBQESA-N	288.442	1.614	10	20	CDCD	
COCCNC(=O)C1(N[C@@H](C)c2cc(C)ccc2O)CC1	840823162	UXQZHQDXSVEXCP-LBPRGKRZSA-N	292.379	1.646	10	20	CDCD	
COC(=O)c1cc(/C=C2\SC(=S)N(C)C2=O)c[nH]1	753137917	LAIHDURBZUXSME-YWEYNIOJSA-N	282.346	1.632	10	20	CDCD	
Nc1ccc(CN2CCC[C@@H](OCCO)C2)cc1	1337838249	MQONSYULJWZREN-CQSZACIVSA-N	250.342	1.242	10	20	CDCD	
COC(=O)c1cc(/C=C2/SC(=S)NC2=O)cn1C	756628130	SSTCTBWQOPIZHV-XBXARRHUSA-N	282.346	1.301	10	20	CDCD	
Cc1ccc(C(=O)NCC(=O)OCC2CC2)c(O)c1O	751538934	WLDKPKIBDZOAFO-UHFFFAOYSA-N	279.292	1.089	10	20	CDCD	
C[C@H](NCCN1CCO[C@H](C)C1)c1cc(F)ccc1O	756546933	WARSBLHZHJCXGI-NEPJUHHUSA-N	282.359	1.903	10	20	CDCD	
C[C@H](NC[C@@H]1COCCN1)c1cc(F)cc(F)c1O	863544676	BEENQJCWRIRBDK-WCBMZHEXSA-N	272.295	1.309	10	20	CDCD	
O=C(N[C@@H](CCO)C1CCOCC1)c1cc(O)cs1	764483427	AMNQICPOVHWCGT-NSHDSACASA-N	285.365	1.361	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)NOCC(F)F	760140125	AWKFFEIYHYRLSY-RQOWECAXSA-N	259.208	1.424	10	20	CDCD	
CN(C)c1cc(F)c(CN2CC[C@](C)(O)C2)cc1F	862250195	GLWKBAHWHISZDL-AWEZNQCLSA-N	270.323	1.988	10	20	CDCD	
COC(=O)CN(Cc1ccc(C)cc1O)C1CCOCC1	876777179	KJYSDZDYPFSKCJ-UHFFFAOYSA-N	293.363	1.855	10	20	CDCD	
Cc1ccc(CN[C@H](C)CCN2CCN(C)CC2)c(O)c1	877406475	STCFYXBRHUFELW-OAHLLOKOSA-N	291.439	1.816	10	20	CDCD	
C[C@H](O)CN(C)Cc1ccc(N2CCN(C)CC2)cc1	776520915	IKQGLUNGGLZOAW-AWEZNQCLSA-N	277.412	1.251	10	20	CDCD	
CN(CC(=O)N1CCCC1)Cc1c(O)ccc2ccncc12	874063997	JJYVOUOOEFMTEW-UHFFFAOYSA-N	299.374	1.995	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@@]2(C)CCO[C@@H]2C)c1O	775060697	MFDHIDVLFSOGRQ-OTYXRUKQSA-N	296.323	1.966	10	20	CDCD	
C[C@H](NC(=O)N1CCC[C@@H](O)C1)c1ccc(N(C)C)cc1	776242599	AABNCPSTORRGTD-SWLSCSKDSA-N	291.395	1.980	10	20	CDCD	
CCNCc1cn(Cc2ccc(N(C)CC)cc2)nn1	881313614	QBHKJTFVFVVEAA-UHFFFAOYSA-N	273.384	1.892	10	20	CDCD	
CO[C@@H]1CCC[C@H]1CNC(=O)c1ccc(C)c(O)c1O	781014426	QQYFZZBQLKNKDG-CMPLNLGQSA-N	279.336	1.951	10	20	CDCD	
C[C@@H](NC(=O)N(C)Cc1ccccc1O)c1ncnn1C	788886698	PYQWFUXVFSWWBR-SNVBAGLBSA-N	289.339	1.423	10	20	CDCD	
COc1cccc(CNC(=O)[C@@H]2CO[C@H](C)C2)c1O	784444625	YTXUSHAEBPRGER-KOLCDFICSA-N	265.309	1.442	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)Nc1cnnn1C	787789645	CFEVPNMEIFDLJI-UHFFFAOYSA-N	289.339	1.965	10	20	CDCD	
COc1ccc(O)c(CNC(=O)C2(C)COC2)c1	782736974	CWABSIXLAIMKKV-UHFFFAOYSA-N	251.282	1.054	10	20	CDCD	
COc1cc(C)cc(CN2[C@H](C)C(=O)N[C@H](C)[C@H]2C)c1O	895123035	WHELVTCRTOVQCE-IJLUTSLNSA-N	292.379	1.807	10	20	CDCD	
CS(=O)(=O)CCCNCc1c(O)cccc1Cl	83552401	FFPSKUCAZKZOBW-UHFFFAOYSA-N	277.773	1.570	10	20	CDCD	
CC(=O)N[C@H](C(=O)NCc1ccc(N)cc1)C(C)C	700680209	NEPLSQLPMCGYIU-ZDUSSCGKSA-N	263.341	1.046	10	20	CDCD	
Cc1nc(C(=O)NCc2ccc(N3CCCC3)cc2)n(C)n1	791426167	QCPFTPWLQHKYAW-UHFFFAOYSA-N	299.378	1.654	10	20	CDCD	
OCC1(CNCc2ccc(N3CCOCC3)cc2)CC1	80246316	GIQCQHGHLNZBPQ-UHFFFAOYSA-N	276.380	1.385	10	20	CDCD	
OC[C@@H](CC1CC1)NCc1cc2c(cc1O)OCO2	754835033	RMOFYTHNFDMFIN-LLVKDONJSA-N	265.309	1.372	10	20	CDCD	
CN(C)C1(CNC(=O)c2cccc(O)c2O)CCC1	97933558	FFSSBKCLDJXNCC-UHFFFAOYSA-N	264.325	1.312	10	20	CDCD	
COc1cc(O)c(CNC[C@H](C)C(=O)O)cc1OC	1326837530	VDWYCABWCQREEU-QMMMGPOBSA-N	269.297	1.220	10	20	CDCD	
CCCN(Cc1ccccc1O)c1nnnn1CCOC	1332487631	QAYKODQEXGHKAO-UHFFFAOYSA-N	291.355	1.442	10	20	CDCD	
Nc1ccc(CNC(=O)NCCC2CCNCC2)cc1	1262587237	XRUNLBGAIJBNGB-UHFFFAOYSA-N	276.384	1.458	10	20	CDCD	
C[C@H](C(=O)NCc1cccc(O)c1O)c1cnn(C)c1	1347543133	XERDQMFKKZOBNU-VIFPVBQESA-N	275.308	1.251	10	20	CDCD	
CCC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1	1354128441	NVVNGZOTYOJLLT-UHFFFAOYSA-N	289.379	1.415	10	20	CDCD	
COc1cncc(C(=O)NCc2ccc(N)cc2)c1C	1579322463	YKPINCCIWQGVSB-UHFFFAOYSA-N	271.320	1.911	10	20	CDCD	
Oc1ccccc1CNc1ncnc2c1ncn2C1CNC1	1580888503	NGVSOOVDCRLMCT-UHFFFAOYSA-N	296.334	1.288	10	20	CDCD	
COC1([C@@H](C(=O)O)N(C)Cc2ccccc2O)CCC1	1599080723	HLHMGDIXEQLVSQ-CYBMUJFWSA-N	279.336	1.846	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@@H]2CC[C@H]2C(=O)O)c1	1594105372	KDDSUYPLPKMXFW-GHMZBOCLSA-N	279.292	1.128	10	20	CDCD	
Oc1ccc(O)c(CNc2ccc(-c3nn[nH]n3)cn2)c1	1593540337	SZNZRIFRSBQDKV-UHFFFAOYSA-N	284.279	1.285	10	20	CDCD	
CC(C)(CCNC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)O	1590675621	FPWSPXYHAIITOM-GQCTYLIASA-N	293.319	1.728	10	20	CDCD	
CC(C)[C@H](O)COc1ccc(N(C)C)c(C(=O)O)c1	1591040963	AEGCXMHMIPHSDM-CYBMUJFWSA-N	267.325	1.847	10	20	CDCD	
CCc1cccc(CN2CCS(=O)(=O)[C@@H](C)[C@H]2C)c1O	848887705	CEGBNHVRDSOBBU-NEPJUHHUSA-N	297.420	1.962	10	20	CDCD	
O=C1NC[C@H]2CN(Cc3cc(Cl)ccc3O)CCN12	156062702	CHOOSIFWYAMBEY-NSHDSACASA-N	281.743	1.255	10	20	CDCD	
Nc1ccc(CC(=O)NCCCN2CCCC2)cc1	37467288	IUYAOHNADJQTBJ-UHFFFAOYSA-N	261.369	1.413	10	20	CDCD	
Cc1csc(=O)n1CCN(C)c1ccc(N)cc1	700182092	GCICXZUPLGKICS-UHFFFAOYSA-N	263.366	1.937	10	20	CDCD	
COc1ccc(O)c([C@H](C)N[C@@H]2COCC[C@H]2O)c1	710946241	PLEAKPZPTQTLGO-MRCXROJRSA-N	267.325	1.201	10	20	CDCD	
OC[C@@H](C[C@@H]1CCCO1)NCc1cc(F)cc(F)c1O	886220951	QCWADAKMIZPKEK-NEPJUHHUSA-N	287.306	1.690	10	20	CDCD	
CC(=O)c1cc(Cl)cc(CN2C[C@H](O)C[C@H]2CO)c1O	248390582	IIFKKOIMKRCMHG-NWDGAFQWSA-N	299.754	1.176	10	20	CDCD	
COCCOCCN(C)c1ccc(OC)cc1OC	179004424	HRWZBAQCWXKYOA-UHFFFAOYSA-N	269.341	1.803	10	20	CDCD	
CCc1cc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)[nH]n1	186420990	AKHYMNWXSABAFY-VIFPVBQESA-N	289.335	1.744	10	20	CDCD	
CO[C@@]1(CN[C@H](C)c2cc(F)ccc2O)CCOC1	123188527	GOKXDYXFVMDGFI-QMTHXVAHSA-N	269.316	1.987	10	20	CDCD	
CN(C)C(C)(C)CNC(=O)c1cccc(O)c1O	126348260	FFCQOJHJIYFZID-UHFFFAOYSA-N	252.314	1.168	10	20	CDCD	
NC(=O)c1cccc(C(=O)NCc2ccc(O)c(O)c2)c1	182530405	PRJYJJKLRDFPRU-UHFFFAOYSA-N	286.287	1.127	10	20	CDCD	
CCN(CC)CCNC(=O)N(C)Cc1ccccc1O	79028420	LAJYBDLAXHLNDG-UHFFFAOYSA-N	279.384	1.875	10	20	CDCD	
CC[C@@H](N)C(=O)N1CCOc2cc(N(C)C)ccc21	130597896	ISWNBIYGFSYDNN-LLVKDONJSA-N	263.341	1.215	10	20	CDCD	
C[C@H](CC(=O)NCCc1ccc(N)cc1)[C@@H]1CCCNC1	237638873	QOWVEISVJWVWHU-UKRRQHHQSA-N	289.423	1.953	10	20	CDCD	
CS(=O)(=O)NC[C@@H]1CCCN(Cc2ccccc2O)C1	269442310	GBEUPKKMHJQHLD-LBPRGKRZSA-N	298.408	1.153	10	20	CDCD	
COc1ccc(O)c(CN2CC([C@@H]3CCOC3)C2)c1	368443841	WEHWTLSNYGKXJT-LLVKDONJSA-N	263.337	1.869	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNC2CCOCC2)c1O	278878341	NSSLNSLEPATRDX-UHFFFAOYSA-N	282.296	1.578	10	20	CDCD	
CN(CC(C)(C)O)C(=O)c1c(F)ccc(O)c1O	276510833	DUASEFOHPAEWNU-UHFFFAOYSA-N	257.261	1.080	10	20	CDCD	
COC[C@H](NCc1ccc2c(c1)CCO2)[C@H]1CCCO1	278682997	PDVRVVKPHUDCMH-GOEBONIOSA-N	277.364	1.905	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CC[C@H](CC(N)=O)C2)c1O	368586363	XQCSKNGZMCBLDR-SNVBAGLBSA-N	294.326	1.431	10	20	CDCD	
C[C@H](C(=O)NCc1ccc(N2CCOCC2)cc1)[C@@H](C)N	277031975	IYBMWSKEYBBIDN-QWHCGFSZSA-N	291.395	1.123	10	20	CDCD	
O=C(c1c(F)ccc(O)c1O)N1CCCC2(C1)OCCO2	276578919	LHNLHQQTLPIHEX-UHFFFAOYSA-N	297.282	1.216	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@H](C)C[S@](C)=O)c1	273438801	MODQIVTZTCFJCB-ARNPGYACSA-N	299.392	1.596	10	20	CDCD	
COc1cccc(CNC(=O)[C@@H]2C[C@]23CCOC3)c1O	373399632	ROOQVMSQOLWHIP-NHYWBVRUSA-N	277.320	1.444	10	20	CDCD	
CCOc1ccc(CN(CCOC)CCN(C)C)c(O)c1	809740586	FLFVZCDMQAUISV-UHFFFAOYSA-N	296.411	1.801	10	20	CDCD	
COc1ccc(CNC(=O)N[C@@H](C)CN(C)C)c(O)c1	807575456	GBOFRQRSENEKOX-JTQLQIEISA-N	281.356	1.150	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)NC[C@@H]2C[C@H](F)CN2)c1	817976971	XYTLSAYUZUNUQA-DLOVCJGASA-N	296.342	1.529	10	20	CDCD	
C[C@H](N[C@H](C)C1CNC1)c1ccc(N2CCOCC2)cc1	817891869	OVFFWEVLNQDQAA-UONOGXRCSA-N	289.423	1.782	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)NCC(F)(F)CN)c1	817966420	NJRNRQCWYNWJRF-QMMMGPOBSA-N	288.294	1.423	10	20	CDCD	
COCCNC(=S)N[C@H](C)c1cc(OC)ccc1O	728792295	JFXJSIYLKGBCCO-SECBINFHSA-N	284.381	1.572	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)NC[C@H](C)CN)c1	817961849	DOSBEZKGQHUCGR-ZJUUUORDSA-N	266.341	1.424	10	20	CDCD	
COc1cccc(O)c1CN[C@@H](C)C(=O)OC(C)C	825117996	NOXFJJJIKPSMTI-JTQLQIEISA-N	267.325	1.831	10	20	CDCD	
COc1cc(O)ccc1NS(=O)(=O)c1cnn(C)c1C	901704309	PWXZICNFEBZLFJ-UHFFFAOYSA-N	297.336	1.244	10	20	CDCD	
Cc1cccc(CN2CC[C@H](N3CCOC3=O)C2)c1O	826999846	CGUCFLZQXVEAQH-ZDUSSCGKSA-N	276.336	1.727	10	20	CDCD	
O=C(OCC(=O)N1CCCC1)c1cc(O)cs1	732354500	OBZUBJDXXAHKNV-UHFFFAOYSA-N	255.295	1.233	10	20	CDCD	
Cc1cc(Br)cc(CN[C@@H](C)CN)c1O	841062758	DOSGHIYPYFKWDV-QMMMGPOBSA-N	273.174	1.900	10	20	CDCD	
CNCCc1nc(-c2ccc(O)c(O)c2)cs1	843288832	JCKFEHVQOYSBEY-UHFFFAOYSA-N	250.323	1.983	10	20	CDCD	
COc1ccc(CNC(=O)[C@@H]2CCCNCC2)c(O)c1	846683444	ZOOPNISINIKFQM-LLVKDONJSA-N	278.352	1.407	10	20	CDCD	
COCCNC(=O)C1(N[C@@H](C)c2cc(F)ccc2O)CC1	840823168	VLZFJXRXKIOMIG-JTQLQIEISA-N	296.342	1.477	10	20	CDCD	
O=C(c1cccc(O)c1O)N(CCO)C1CCSCC1	848023320	LZWXQNJHRAINNP-UHFFFAOYSA-N	297.376	1.428	10	20	CDCD	
COCC1(NC(=O)NCCc2ccc(N)cc2)CCC1	841959339	MKEMKDMHLSQTGK-UHFFFAOYSA-N	277.368	1.680	10	20	CDCD	
C[C@@H](CCCN)NC(=O)NCc1ccc(N(C)C)cc1	841654049	MDXGODCZRHFIHW-LBPRGKRZSA-N	278.400	1.679	10	20	CDCD	
Cc1cccc(CN2CC(=O)N(CC(F)(F)F)C2)c1O	754155640	YPRXHWPRYOBNOB-UHFFFAOYSA-N	288.269	1.865	10	20	CDCD	
CN(CCNC(=O)N(C)C)Cc1ccccc1O	757864597	IUPFKZSPYNGFHL-UHFFFAOYSA-N	251.330	1.095	10	20	CDCD	
COc1ccc(N2CCCN(Cc3cnon3)CC2)cc1	851733564	ZSHURRCIMYQOPJ-UHFFFAOYSA-N	288.351	1.791	10	20	CDCD	
O=C(N[C@H]1CCn2cncc2C1)c1c(F)ccc(O)c1O	857962117	IUFAHWPFJRXJIP-QMMMGPOBSA-N	291.282	1.178	10	20	CDCD	
CCOCc1cc(CNC/C=C/CO)ccc1OC	850357505	LTZXMKKLMKEVLK-SNAWJCMRSA-N	265.353	1.870	10	20	CDCD	
CCCn1cc(/C=C2\SC(=S)NC2=O)nn1	865213875	JKVORFANKYRXLB-DAXSKMNVSA-N	254.340	1.177	10	20	CDCD	
COc1cc(C(=O)NC2CN(CC(C)C)C2)cc(OC)n1	1030614161	CTAAYUTZGDUDIQ-UHFFFAOYSA-N	293.367	1.169	10	20	CDCD	
CS(=O)(=O)CCCCCNC(=O)c1cc(O)cs1	776295344	NZFSQTSYNIPZAG-UHFFFAOYSA-N	291.394	1.398	10	20	CDCD	
COC(=O)c1ccc(NCc2cccc(OC)c2O)nn1	774524301	NAKKIRAGQGOLMK-UHFFFAOYSA-N	289.291	1.590	10	20	CDCD	
CCNC(=O)[C@@H](C)N[C@H](C)c1c(O)cccc1F	886491926	WOZMFMDFCBFKNL-RKDXNWHRSA-N	254.305	1.707	10	20	CDCD	
COC(=O)C1(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CC1	773014889	MOGLKMLFUZTQLE-LLVKDONJSA-N	290.363	1.883	10	20	CDCD	
CCN(C)c1ccc(CN2C[C@@H](CO)O[C@H](C)C2)cc1	773888635	LBCIUAMDEFJBCN-CJNGLKHVSA-N	278.396	1.724	10	20	CDCD	
CCOCCC(=O)NCCNCc1ccc(OC)c(C)c1	1124704807	TYBTVLVUNWJYAY-UHFFFAOYSA-N	294.395	1.636	10	20	CDCD	
Cc1noc(CNC(=O)/C=C\c2ccc(O)c(O)c2)n1	779482864	HIJUMSLWNYCIIZ-HYXAFXHYSA-N	275.264	1.119	10	20	CDCD	
CNCc1cn(Cc2ccc(N(C)C)c(C)c2)nn1	881378011	BIRJAIQHVZWKAW-UHFFFAOYSA-N	259.357	1.420	10	20	CDCD	
C[C@@H]1CN(Cc2cc(F)cc(F)c2O)C[C@H](CO)O1	894539104	XMFDOEJEKFWNKK-LDYMZIIASA-N	273.279	1.252	10	20	CDCD	
COc1ccc(CN[C@H](C)c2ccn(C)n2)c(O)c1OC	894865014	CQJCXFHYDBRDDB-SNVBAGLBSA-N	291.351	1.994	10	20	CDCD	
Cc1ccc(C(=O)N=S2(=O)CCOCC2)c(O)c1O	891365944	SRSRDHJADWKPFM-UHFFFAOYSA-N	285.321	1.045	10	20	CDCD	
C[C@]1(CCC(=O)NCc2ccc(O)c(O)c2)CCC(=O)N1	793689520	NYUDBPUDJWBFQL-HNNXBMFYSA-N	292.335	1.163	10	20	CDCD	
OC[C@@H]1CN(Cc2ccc(N3CCCC3)cc2)CC[C@@H]1O	1204325025	QFSLBFAQTXWMNC-RDJZCZTQSA-N	290.407	1.462	10	20	CDCD	
Cc1ccncc1C(=O)NCCc1ccc(O)c(O)c1	762267378	HYTHHDDNGJBSOJ-UHFFFAOYSA-N	272.304	1.774	10	20	CDCD	
Nc1ccc(CCNC(=O)C(=O)NC[C@H]2C=CCC2)cc1	1331634989	DUBDSXGWURBYDD-ZDUSSCGKSA-N	287.363	1.010	10	20	CDCD	
Cn1c(-c2sccc2O)nnc1N1CCOCC1	1341280902	QTEHKBKCCRCAOV-UHFFFAOYSA-N	266.326	1.086	10	20	CDCD	
CCc1nnc(C)cc1C(=O)NCc1cccc(O)c1O	1352657777	JWLIRNYUGHUCLM-UHFFFAOYSA-N	287.319	1.689	10	20	CDCD	
CNC(=O)C(C)(C)CNCc1cc(OC)ccc1O	224915971	WUSKIHCSIHFOHH-UHFFFAOYSA-N	266.341	1.263	10	20	CDCD	
NC(=O)N=Nc1ccc(C(=O)N[C@H](CCF)C(=O)O)cc1	1601155557	KGTNOMUMBBDWOD-SECBINFHSA-N	296.258	1.392	10	20	CDCD	
O=C(CSc1ncc(C(=O)O)s1)Nc1cccnn1	1608355558	LZMYICGUXLYGLD-UHFFFAOYSA-N	296.333	1.362	10	20	CDCD	
COC(=O)c1cnc(S[C@@H](C)C(=O)C(=O)O)s1	1610218269	CHFASQBRNJMAFA-BYPYZUCNSA-N	275.307	1.064	10	20	CDCD	
Cc1cc(O)c(CN2CCN(C)C[C@H]2CN)cc1Cl	1579637885	GKYCMXHAKOVCOP-GFCCVEGCSA-N	283.803	1.429	10	20	CDCD	
CN(C)c1ccc(OCCC2OCCCO2)cc1C(=O)O	1598328693	YEQCXLXWHARNIL-UHFFFAOYSA-N	295.335	1.983	10	20	CDCD	
CC(=O)N1CCC(NCc2cccc(C)c2O)CC1	124670928	XKQJEXNZKYLQAR-UHFFFAOYSA-N	262.353	1.801	10	20	CDCD	
CC(=O)c1cc(C(=O)NCc2ccc(O)c(O)c2)n(C)c1	158869915	FABAGZIUBMUANP-UHFFFAOYSA-N	288.303	1.569	10	20	CDCD	
C[C@@H](NC[C@H]1CCCNC1=O)c1ccc(F)cc1O	840825608	HUGJVRSIIQRICP-NXEZZACHSA-N	266.316	1.708	10	20	CDCD	
COc1cccc(CN2CCC[C@H](C)[C@H]2CN)c1O	70175480	BILZQOTXMNOBLR-WCQYABFASA-N	264.369	1.960	10	20	CDCD	
COCC1(CC(=O)NCCc2ccc(N)cc2)CC1	401269647	LLNVAVBFEBCCRP-UHFFFAOYSA-N	262.353	1.744	10	20	CDCD	
CN(C)CC(C)(C)NCc1cc2c(cc1O)OCO2	308613545	LNNFLDNIVXUUAE-UHFFFAOYSA-N	266.341	1.551	10	20	CDCD	
COc1cccc(CN2CC[C@H]3NCC[C@H]3C2)c1O	311701303	MAJHWMPXYDRVRI-WCQYABFASA-N	262.353	1.585	10	20	CDCD	
CNC(=O)C[C@@H](C)NCc1cc(Cl)ccc1O	323022016	JMWFZXWIFHXGAN-MRVPVSSYSA-N	256.733	1.660	10	20	CDCD	
C[C@H]1[C@H](C(=O)O)CCN1Cc1cc(F)cc(F)c1O	708215119	HRKXHJDAPRLRKR-OIBJUYFYSA-N	271.263	1.965	10	20	CDCD	
C[C@H](CO)CNC(=O)NCc1ccc(N(C)C)cc1	53754919	PFKFKPPUGZCJGS-NSHDSACASA-N	265.357	1.180	10	20	CDCD	
CC(C)NC(=O)NC(=O)[C@H](C)N(C)Cc1ccccc1O	109771316	CAYLYHCIZPBIBG-NSHDSACASA-N	293.367	1.447	10	20	CDCD	
C[C@@H](C(=O)NCc1ccc(N(C)C)cc1)n1cncn1	27582188	UBFOCGIAWMHRMA-NSHDSACASA-N	273.340	1.222	10	20	CDCD	
O=C1NC(=S)NC(=O)C1=CNc1cccc(Cl)c1F	60864506	HIJGUCBDARWUFP-UHFFFAOYSA-N	299.714	1.306	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)c2ccc(O)nc2)c1	170900993	YTMFZKFKKYUTMW-VIFPVBQESA-N	288.303	1.992	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CC[C@H](C(=O)O)C2)c1O	178903851	UNCFXGWGLYMNED-VIFPVBQESA-N	281.283	1.640	10	20	CDCD	
CO[C@H](C)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	117974792	AEOPNGJUVHHIQP-TZMCWYRMSA-N	293.363	1.935	10	20	CDCD	
COCCCNC(=O)CN(C)Cc1cc(C)c(C)cc1O	68960211	KCBGVIYWSVFBOA-UHFFFAOYSA-N	294.395	1.594	10	20	CDCD	
C[C@H](CC[S@](C)=O)NCc1ccc(N(C)C)cc1	125482826	WIJUFOKTDKSHKU-KZULUSFZSA-N	268.426	1.999	10	20	CDCD	
CC(=O)CCCC(=O)N[C@H](C)Cc1ccc(O)c(O)c1	186410061	YIJRDDQSJXUMHX-SNVBAGLBSA-N	279.336	1.904	10	20	CDCD	
CC[C@@H](C)[C@H](O)CNC(=O)/C=C/c1ccc(O)c(O)c1	180867528	YJODNCOBEIKBLH-DRLXOFOESA-N	279.336	1.634	10	20	CDCD	
O=C(NCc1c(O)ccc2c1CCCC2)c1ccc(O)nn1	75160030	GWIJKRRFDQLLRO-UHFFFAOYSA-N	299.330	1.697	10	20	CDCD	
COCCc1noc(CN(C)c2ccc3c(c2)OCO3)n1	121300897	QDIUOCYQGWPOEV-UHFFFAOYSA-N	291.307	1.624	10	20	CDCD	
C[C@@H](NC[C@@H]1CN(C)CCO1)c1ccc(F)c(F)c1O	187774671	UVGHQCMYAOKYMC-NXEZZACHSA-N	286.322	1.652	10	20	CDCD	
CC(C)N1CCC[C@@H](CNC(=O)c2cccc(O)c2O)C1	187041866	PKSDQSMLVISTKE-LBPRGKRZSA-N	292.379	1.948	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)NCCCn1ccnc1	42897731	BEABLKGLWGBFNP-UHFFFAOYSA-N	288.351	1.820	10	20	CDCD	
CC(C)NC(=O)CN[C@H](C)c1ccc(F)c(F)c1O	191187778	PWWPRRPSCDNCTF-MRVPVSSYSA-N	272.295	1.846	10	20	CDCD	
CCOC(=O)CC(=O)NCc1ccc(N2CCCC2)cc1	195110078	TYRYBGBJYVSEEQ-UHFFFAOYSA-N	290.363	1.856	10	20	CDCD	
Cn1ccc(CNCc2cc3c(cc2O)OCO3)c1	267104262	PRGGCVAKZUJUHH-UHFFFAOYSA-N	260.293	1.749	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCO[C@H]([C@@H]2CCCO2)C1	363926645	KHIGWCBZEZBHBZ-STQMWFEESA-N	293.319	1.118	10	20	CDCD	
COC(=O)COc1ccc(N(C)CC2OCCO2)cc1	273154640	YJYKKRMJGVQCCT-UHFFFAOYSA-N	281.308	1.048	10	20	CDCD	
COCCN(CCN(C)C)Cc1cc2c(cc1O)OCO2	289188035	BDKCKVHMDQICGA-UHFFFAOYSA-N	296.367	1.131	10	20	CDCD	
O=C(O)NCC(=O)NCc1c(O)ccc2c1CCCC2	285766801	TUZHPXJOZLWKHW-UHFFFAOYSA-N	278.308	1.155	10	20	CDCD	
CCN(C)C(=O)C(=O)N(CC)Cc1ccc(N(C)C)cc1	297966694	XUHNFSQMCRTXOI-UHFFFAOYSA-N	291.395	1.579	10	20	CDCD	
CO[C@H](C)CN(C)C(=O)c1ccc(C)c(O)c1O	804840180	HRYRNHRUBGTGRN-SECBINFHSA-N	253.298	1.513	10	20	CDCD	
O=C(C[C@H]1CCCS(=O)(=O)C1)NCc1ccccc1O	815833415	MIBKRJQZIGZQFW-LLVKDONJSA-N	297.376	1.223	10	20	CDCD	
COC[C@@H](O)CNCc1ccc(N2CCSCC2)cc1	818964481	XOVDGBGFZZJUPY-HNNXBMFYSA-N	296.436	1.337	10	20	CDCD	
C[C@@H]1C[C@@H](NCC2CNC2)c2c(O)ccc(F)c21	817964886	IKTYNUGAHUVLFV-LDYMZIIASA-N	250.317	1.889	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2C[C@@H](C)CCN2)c1	817996826	LZYGKGCFBLPGAH-MJVIPROJSA-N	292.379	1.966	10	20	CDCD	
COC(=O)N1CCC[C@@H](NC(=O)Cc2ccc(N)cc2)C1	828330127	ZWNBJJNXPZDAFI-CYBMUJFWSA-N	291.351	1.158	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)C1(C(=O)C2CC2)CC1	827085173	NOMUHHMJKNGTQD-UHFFFAOYSA-N	289.331	1.516	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)OCCNC(=O)C1CC1	909088656	LBKBINGOGUBVDL-KXFIGUGUSA-N	291.303	1.180	10	20	CDCD	
CCOc1cccc(CNC[C@H](CC)C(=O)O)c1O	903704209	FFIVGYYYTLKJHS-JTQLQIEISA-N	267.325	1.991	10	20	CDCD	
COc1cccc(CN(CC(=O)O)C2CCOCC2)c1O	833735085	DUTUUYFWOURSGW-UHFFFAOYSA-N	295.335	1.466	10	20	CDCD	
C[C@@H](C[C@@H](C)N)NC(=O)NCc1ccc(N(C)C)cc1	831094976	TXIZXPMJBQJFRN-NEPJUHHUSA-N	278.400	1.678	10	20	CDCD	
CCOc1ccc(O)c(CN2C[C@@H](C)[C@H](C(=O)O)C2)c1	833662299	AWLCRPGOSGLADH-ZWNOBZJWSA-N	279.336	1.943	10	20	CDCD	
CC(C)CN1C[C@@H](C(=O)NCc2ccccc2O)CC1=O	748346067	LWDRFKSPTZIWAE-ZDUSSCGKSA-N	290.363	1.513	10	20	CDCD	
CCCCN(C)Cc1cc(O)n2ncc(C(=O)O)c2n1	846232102	SRKRQYANSAMKCW-UHFFFAOYSA-N	278.312	1.365	10	20	CDCD	
COC/C(C)=C/C(=O)NCCc1ccc(O)c(O)c1	845833577	LUOLPGFKKNGBNC-JXMROGBWSA-N	265.309	1.349	10	20	CDCD	
COC(=O)[C@@H]1CN(C)CCN(Cc2cc(F)ccc2O)C1	840956635	BEIBSTJTUKTORK-GFCCVEGCSA-N	296.342	1.068	10	20	CDCD	
CSCCCNC(=O)NCCc1ccc(N)cc1	841829128	DVLVBHZENCLFEI-UHFFFAOYSA-N	267.398	1.864	10	20	CDCD	
CN(C)c1ccc([C@@H](N)CNCc2cscn2)cc1	841042411	JKPIIKTUVRKCLG-AWEZNQCLSA-N	276.409	1.999	10	20	CDCD	
CCOc1ccc(CNC[C@H]2CNCCCO2)c(O)c1	841085499	FCCFKLAKWGRGSU-CQSZACIVSA-N	280.368	1.259	10	20	CDCD	
CCOC(=O)[C@H](C)OC(=O)/C=C\c1ccc(O)c(O)c1	759577555	BDQIDLMJFOBLMJ-PGBBXKAQSA-N	280.276	1.606	10	20	CDCD	
CCCNC(=O)CCN[C@@H](C)c1cc([N+](=O)[O-])ccc1O	756462494	XDEQNRWYEFYMSX-JTQLQIEISA-N	295.339	1.867	10	20	CDCD	
C/C=C/C(=O)NCc1ccc(N2CCC(O)CC2)cc1	856208521	PCXJLROMCMCPAH-NSCUHMNNSA-N	274.364	1.840	10	20	CDCD	
CC(C)[C@H](NC=O)C(=O)N(C)Cc1ccc(N(C)C)cc1	858200087	NYHWXDWIVAGCMY-HNNXBMFYSA-N	291.395	1.482	10	20	CDCD	
CC[C@H](N[C@H](C)C(=O)N(C)OC)c1ccc(F)cc1O	858588371	ZQLJQRGBUVVGGC-SKDRFNHKSA-N	284.331	1.980	10	20	CDCD	
CC(C)(C)CNC(=O)COC(=O)c1cc(O)cs1	859554257	ZKSRYLDYMPSUPW-UHFFFAOYSA-N	271.338	1.773	10	20	CDCD	
C[C@H](NC(=O)NC[C@H]1COCO1)c1ccc(N(C)C)cc1	922053151	CSYLGIPUWLHWTR-FZMZJTMJSA-N	293.367	1.486	10	20	CDCD	
CC(=O)c1cc(O)ccc1NS(=O)(=O)N(C)C(C)C	766049079	ZHSSJGUQMIDWDZ-UHFFFAOYSA-N	286.353	1.592	10	20	CDCD	
COc1cccc(CN(CC(N)=O)CC(C)C)c1O	132901691	HMWYNFMKMCRTRR-UHFFFAOYSA-N	266.341	1.344	10	20	CDCD	
CO[C@H]1CCN(Cc2cc3c(cc2O)OC[C@@H]3O)C1	768464732	SWWZERAQXNWLFI-GWCFXTLKSA-N	265.309	1.039	10	20	CDCD	
C[C@]1(O)CCN(Cc2ccc(N3CCOCC3)c(F)c2)C1	769544592	YYEZNRBNEHACCX-INIZCTEOSA-N	294.370	1.619	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)CN(C)C2CCC2)c1	863936907	BHYGFOSKPMDRBM-UHFFFAOYSA-N	262.353	1.801	10	20	CDCD	
Cn1cnnc1[C@@H]1CCCN1C(=O)c1cc(O)cs1	768547630	VQAOFLKXSDDGHA-VIFPVBQESA-N	278.337	1.560	10	20	CDCD	
CCn1nccc1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	775893169	GVXOGMGEURWECF-JTQLQIEISA-N	289.335	1.675	10	20	CDCD	
C[C@@H](NC(=O)[C@@H]1C[C@@H]2CC[C@H]1N2)c1ccccc1O	1122115372	XNYHQLKLYMXODI-LYIQGSDWSA-N	260.337	1.710	10	20	CDCD	
C[C@H](NC[C@@]1(O)CCO[C@H]1C)c1cc(F)cc(F)c1O	788623967	LWROQOUVTDDKFA-FZNYLWTLSA-N	287.306	1.861	10	20	CDCD	
CCn1nccc1C(=O)OCC(=O)c1ccc(O)c(O)c1	784800483	HKVYYCCIQHGCRH-UHFFFAOYSA-N	290.275	1.354	10	20	CDCD	
CO[C@]1(C(=O)NCc2cc(C)ccc2O)CCSC1	899133920	QQLVRAPFUMDBFM-CQSZACIVSA-N	281.377	1.839	10	20	CDCD	
CCOc1cccc(CN2CC(COC)C2)c1O	895971088	KQTYNCPXQMINIC-UHFFFAOYSA-N	251.326	1.869	10	20	CDCD	
CC1(C)CNC(=O)[C@H]1NCc1cc(F)cc(F)c1O	895325392	PRDKDNYAZZKJAR-LLVKDONJSA-N	270.279	1.285	10	20	CDCD	
O=C(NCc1ccccc1O)C(=O)Nc1cccc(F)n1	792974677	UOFDTAKFOVXRFJ-UHFFFAOYSA-N	289.266	1.181	10	20	CDCD	
NC(=O)c1ccccc1CCC(=O)NCc1ccccc1O	792239082	ANILPKHBOVBXJN-UHFFFAOYSA-N	298.342	1.740	10	20	CDCD	
CC1(O)CCC(NCc2cc3c(cc2O)OCO3)CC1	703580058	VLRVCANZQRRGFI-UHFFFAOYSA-N	279.336	1.904	10	20	CDCD	
COc1ccc(O)c(CNC[C@H]2CC[C@H](O)C2)c1	187986631	QEHRNRVTVRUSCJ-JQWIXIFHSA-N	251.326	1.651	10	20	CDCD	
CO[C@@H]1[C@H](C)[C@H](NC(=O)c2cccc(O)c2O)C1(C)C	790917021	YDTKAILBLKZMKF-OXHMUOHRSA-N	279.336	1.887	10	20	CDCD	
COCC1(C)CCN(C(=O)c2cccc(O)c2O)CC1	790917645	IVOFEHFPKUIHFU-UHFFFAOYSA-N	279.336	1.987	10	20	CDCD	
Cc1nnccc1C(=O)NCc1ccc(O)c(O)c1	1325023912	PXDCQFMJXUZOCL-UHFFFAOYSA-N	259.265	1.126	10	20	CDCD	
COCC1(CNCc2ccc(N)cc2)CCNCC1	1336286485	QUPQUTUTPYDMQS-UHFFFAOYSA-N	263.385	1.375	10	20	CDCD	
CC(C)c1noc(CCNC(=O)c2cc(O)cs2)n1	1261667283	RELXXAICOARXQB-UHFFFAOYSA-N	281.337	1.933	10	20	CDCD	
CCC(=O)N1CCCN(Cc2ccc(N)cc2)CC1	1356083108	KBEJPAWKHXGCTR-UHFFFAOYSA-N	261.369	1.713	10	20	CDCD	
COc1cccc(O)c1CNC[C@@H](CO)C(C)C	808421400	FQYMDAGVHYNZBK-NSHDSACASA-N	253.342	1.755	10	20	CDCD	
COC(=O)/C(C)=C/CN(C)c1ccc(OCC(=O)O)cc1	1606321065	YWKKLSYFGBSHDT-DHZHZOJOSA-N	293.319	1.706	10	20	CDCD	
COc1ccc(CNC[C@]2(O)CCO[C@H]2C)cc1C	227974382	OOONTUDXISDCTJ-SWLSCSKDSA-N	265.353	1.633	10	20	CDCD	
CC(C)N(CC(=O)O)C(=O)c1ccc(N=NC(N)=O)cc1	1588915989	IIKLOCHOLCEMDL-UHFFFAOYSA-N	292.295	1.784	10	20	CDCD	
COc1cc(C)c(CN2C[C@@H](C)[C@H](C(=O)O)C2)c(O)c1	1599391334	RGOKEBKASQDVPW-ZWNOBZJWSA-N	279.336	1.862	10	20	CDCD	
CN(C)c1ccc(CN[C@H](C(=O)O)[C@@H]2CCOC2)cc1	1777039718	WKJIXSYSAXSPQW-OCCSQVGLSA-N	278.352	1.332	10	20	CDCD	
CCCOc1ccc(CN2CCNC(=O)C2)c(O)c1	160507036	KFZDZUBBSIPVIE-UHFFFAOYSA-N	264.325	1.113	10	20	CDCD	
C[C@@H](CN(C)C)NCc1cc2c(cc1O)OCO2	168615408	FCVSQYVJTIORDI-VIFPVBQESA-N	252.314	1.161	10	20	CDCD	
NC(=O)[C@H]1CCN(Cc2cc(Cl)ccc2O)C1	157130758	XFQCMTVVIQBGTC-QMMMGPOBSA-N	254.717	1.353	10	20	CDCD	
C[C@@H](O)C[C@@H]1CCCN1Cc1cc2c(cc1O)OCO2	155417833	NASYNRVELQKRSA-PWSUYJOCSA-N	279.336	1.856	10	20	CDCD	
CCOc1cccc(CN[C@@H](C)C(=O)N(C)CC)c1O	188482941	XVSYMIAAOHTXQO-NSHDSACASA-N	280.368	1.747	10	20	CDCD	
CC(C)(CN1CCCC1)NC(=O)c1cccc(O)c1O	308698277	OYAJJLRFVUZLBB-UHFFFAOYSA-N	278.352	1.702	10	20	CDCD	
CCc1cccc(CN2CC[C@](C)(C(=O)NC)C2)c1O	692092363	KSYZEQDTOXPNIB-INIZCTEOSA-N	276.380	1.913	10	20	CDCD	
C[C@@H](CNCc1cccc(Cl)c1O)S(C)(=O)=O	697643759	XHXWBTHEWUCGTA-QMMMGPOBSA-N	277.773	1.568	10	20	CDCD	
COc1ccc(O)c(CNCCC2(CO)CC2)c1	395973020	RYVUWBYXXBDUSE-UHFFFAOYSA-N	251.326	1.653	10	20	CDCD	
O=C(N[C@H](CCO)C(F)(F)F)c1cccc(O)c1O	854616249	FJEQVHIWVUGOSF-MRVPVSSYSA-N	279.214	1.141	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2ccccn2)c1	114541293	RTIRQAMLCZTQBF-UHFFFAOYSA-N	258.277	1.726	10	20	CDCD	
COc1cccc(CNC(=O)Cc2cccnc2)c1O	111597766	QIAGRKNXLRZKSY-UHFFFAOYSA-N	272.304	1.655	10	20	CDCD	
Cc1cc(C(=O)N2CC[C@@H](CO)C2)c(C)n1-c1ccccn1	305649942	DEOPZKKCVDJTAM-CQSZACIVSA-N	299.374	1.944	10	20	CDCD	
CCCN(Cc1ccccc1O)c1ccc2nnnn2n1	301787405	VNRKTRONSQATAK-UHFFFAOYSA-N	284.323	1.642	10	20	CDCD	
CC(=O)OC(C)(C)C(=O)NCc1ccc(N(C)C)cc1	187167023	YYMISNSOJLNFHS-UHFFFAOYSA-N	278.352	1.711	10	20	CDCD	
O=C(c1cccnc1)N1CCN(Cc2ccccc2O)CC1	183290844	QGIPQBBTFQVSSH-UHFFFAOYSA-N	297.358	1.745	10	20	CDCD	
Cc1cccc(CN2CCN(C)C(=O)C2(C)C)c1O	180420211	FFPIUQPRBPFHMC-UHFFFAOYSA-N	262.353	1.753	10	20	CDCD	
COC(=O)[C@H](CC(C)C)NCc1cc2c(cc1O)OCO2	42879889	NLYUPQVJKYLVSJ-NSHDSACASA-N	295.335	1.798	10	20	CDCD	
CCCCS(=O)(=O)NCc1ccc(N(C)C)cc1	48903616	WZRSPABGKMBQNZ-UHFFFAOYSA-N	270.398	1.972	10	20	CDCD	
COC(=O)[C@@H](O)C1CCN(Cc2cc(C)ccc2O)CC1	92015396	KFGALFHUAWPHFN-HNNXBMFYSA-N	293.363	1.447	10	20	CDCD	
CCN1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1	148120602	HYRXCKZDAHDZIT-GQCTYLIASA-N	276.336	1.275	10	20	CDCD	
CC(C)[C@@H](N)C(=O)NCc1ccc(N2CCOCC2)cc1	269242764	RSRFFAMNJPOMNL-OAHLLOKOSA-N	291.395	1.123	10	20	CDCD	
Cc1ccc(O)c([C@@H](C)NC[C@@H]2COCCN2)c1	530223203	HFJFPOPZCRZGPN-VXGBXAGGSA-N	250.342	1.340	10	20	CDCD	
CO[C@H](C)CCNCc1cc([N+](=O)[O-])ccc1O	263776735	DSRWNTWPQYIQNK-SECBINFHSA-N	254.286	1.815	10	20	CDCD	
COc1cccc(CNC(=O)NC2CCC2)c1O	266747896	DVDMJHDHAAQQOJ-UHFFFAOYSA-N	250.298	1.753	10	20	CDCD	
C[C@H](CCO)N[C@H](C)c1cc([N+](=O)[O-])ccc1O	273619257	YMNMTZNXFZWDHA-RKDXNWHRSA-N	254.286	1.722	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CCO[C@H]2CCC[C@@H]21	272480796	QPQSUEHXMUKYBK-RZRUPYEKSA-N	289.331	1.891	10	20	CDCD	
CCOc1ccc(O)c(CN2CC[C@](C)(C(=O)NC)C2)c1	281202907	TTXJRMPESPJDHE-INIZCTEOSA-N	292.379	1.749	10	20	CDCD	
C[C@@H](NCc1cnnn1C)c1cc(F)cc(F)c1O	806660150	ROGIUVXJBKBQPB-SSDOTTSWSA-N	268.267	1.650	10	20	CDCD	
CCc1noc(NC(=O)NCCc2ccc(O)c(O)c2)n1	296907004	WKHWPPYKYYZYMO-UHFFFAOYSA-N	292.295	1.407	10	20	CDCD	
COc1cccc(CNC(=O)Cc2cnn(C)c2C)c1O	293604633	DVZGMPBPBSUGNN-UHFFFAOYSA-N	289.335	1.302	10	20	CDCD	
Cc1ccc(C(=O)N2C[C@H]3C[C@@H](O)CC[C@H]3C2)c(O)c1O	819694916	PASXUJAZEYBUGM-TUAOUCFPSA-N	291.347	1.639	10	20	CDCD	
Cc1cc(C)c([C@@H](C)NC[C@@]2(O)CCN(C)C2)c(O)c1	815616389	NKRUKDFDMAXOQX-CJNGLKHVSA-N	278.396	1.726	10	20	CDCD	
COC(=O)c1cc(C(=O)N(C)Cc2ccccc2O)c[nH]1	815797058	ZFTNFGQVRWPTCY-UHFFFAOYSA-N	288.303	1.779	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)NCCNC2CC2)c1	817952554	FVVTYJHYPSVCKH-JTQLQIEISA-N	278.352	1.581	10	20	CDCD	
CN(C)C(=O)[C@H]1CSCN1C(=O)c1cc(O)cs1	825228350	WEMQVODVKZGRGU-MRVPVSSYSA-N	286.378	1.057	10	20	CDCD	
O=C(CCNC(=O)c1cc(O)cs1)Nc1cccnc1	732283530	MGDBXHJDAWITOK-UHFFFAOYSA-N	291.332	1.607	10	20	CDCD	
O=C(NCCn1cccn1)NCc1ccccc1O	734273672	VJBKELGPPKRHTR-UHFFFAOYSA-N	260.297	1.088	10	20	CDCD	
Nc1ccc(CC(=O)NC[C@@H](CO)Cc2ccco2)cc1	826841642	YJUJDEWIBJPUDJ-ZDUSSCGKSA-N	288.347	1.372	10	20	CDCD	
COC[C@@H](O)CN1CCCc2cc(OC)cc(OC)c21	839654833	AWTBCZVEVWRHDT-LBPRGKRZSA-N	281.352	1.464	10	20	CDCD	
COc1ccc(CNC(=O)c2cc(O)cs2)cn1	732263662	IWCWYBKBJAQTTB-UHFFFAOYSA-N	264.306	1.787	10	20	CDCD	
CN(Cc1ccccc1O)C(=S)NC[C@@H]1CCOC1	749697422	YZMZWZMRPXFTLO-NSHDSACASA-N	280.393	1.735	10	20	CDCD	
CC(C)(CO)CNC(=O)NCCc1ccc(N)cc1	841960285	KSISHSRYEQUZPT-UHFFFAOYSA-N	265.357	1.129	10	20	CDCD	
COc1cc(O)c(CN[C@@H](C)[C@H]2CCCNC2)cc1OC	841033658	RAPGPHALVQWEQE-RYUDHWBXSA-N	294.395	1.887	10	20	CDCD	
C[C@@H](O)CC(C)(C)CNC(=O)NCCc1ccc(N)cc1	841835023	MOKMGIGNFLJROA-GFCCVEGCSA-N	293.411	1.908	10	20	CDCD	
COc1cccc([C@H](C)N[C@H]2CCCN(C)C2=O)c1O	846145094	KHADGFDDTNDEBY-JQWIXIFHSA-N	278.352	1.672	10	20	CDCD	
COc1cc(O)c(CNCCN2CCCC2=O)cc1OC	846090407	VFHJQIIRFJKYLA-UHFFFAOYSA-N	294.351	1.121	10	20	CDCD	
CCCOC(=O)[C@H](C)OC(=O)c1ccc(C)c(O)c1O	744909574	JABIUQQKKQCNOG-VIFPVBQESA-N	282.292	1.905	10	20	CDCD	
CNCCNC(=O)NCc1c(O)ccc2c1CCCC2	841934615	CNWKMQJWSPZIIQ-UHFFFAOYSA-N	277.368	1.290	10	20	CDCD	
C[C@H](CN)N(C)C(=O)NCc1ccc2c(c1)CCCN2C	841759447	OABZIFFPTFKNNM-GFCCVEGCSA-N	290.411	1.558	10	20	CDCD	
CC1(C)C(NC(=O)C(=O)Nc2ccc(N)cc2)C1(C)C	841058561	SRLPHHHPSXHQMJ-UHFFFAOYSA-N	275.352	1.758	10	20	CDCD	
CCO[C@@H](CCN(C)C)CNC(=O)Nc1ccc(N)cc1	841301086	ZPNJCTKROIAVNM-AWEZNQCLSA-N	294.399	1.747	10	20	CDCD	
COc1ccc(N(C)CC(=O)NCc2ccccn2)cc1	844353087	GHPNUOZTMIUTKU-UHFFFAOYSA-N	285.347	1.843	10	20	CDCD	
CN[C@@H]1CCN(Cc2ccc(N3CCN(C)CC3)cc2)C1	843044764	IKVOANBIJUWPRF-MRXNPFEDSA-N	288.439	1.232	10	20	CDCD	
C[C@@]1(CO)CCCN1C(=O)NCCc1ccc(N)cc1	841958685	IGLCNGRMQAVCFW-HNNXBMFYSA-N	277.368	1.368	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](C(=O)O)C1CC1	852943103	QBRYOHUNVNVSIR-CQSZACIVSA-N	290.363	1.822	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NOCC(F)(F)F)c1	858304948	ZKECQFNVVPYMDJ-UHFFFAOYSA-N	278.230	1.994	10	20	CDCD	
CON(C)C(=O)[C@@H](C)N[C@@H](C)c1ccc(F)cc1O	858586608	FYPZXPHDSVZKAG-DTWKUNHWSA-N	270.304	1.590	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)OCCN1CCOC1=O	759588165	JKZUOCGKYWYTGA-DUXPYHPUSA-N	293.275	1.106	10	20	CDCD	
Cc1ccc(O)c([C@H](C)NCc2nnnn2CC2CC2)c1	769991665	ZNFCNNOTXZQSQA-NSHDSACASA-N	287.367	1.948	10	20	CDCD	
C[C@H]1CN(Cc2c(O)cccc2Br)CC(=O)N1	862387933	SNCVIFFRDGWPFI-QMMMGPOBSA-N	299.168	1.475	10	20	CDCD	
C[C@H](NC(=O)NC[C@@H](C)O)c1ccc(N(C)C)cc1	765541752	NCRBTGYLLYCSOH-MNOVXSKESA-N	265.357	1.494	10	20	CDCD	
Cc1cnc(CC(=O)NCCc2ccc(O)c(O)c2)s1	767783864	AKIRAEMBAMWUKN-UHFFFAOYSA-N	292.360	1.764	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2nc(C)no2)c1	865927711	FYKOKSQLDPVSIX-SSDOTTSWSA-N	277.280	1.583	10	20	CDCD	
COc1cc(O)c(/C=C2/SC(=S)NC2=O)cc1OC	768270000	UPZCRRRFMFXGAA-ONNFQVAWSA-N	297.357	1.898	10	20	CDCD	
CNC(=O)[C@@H]1CCC[C@@H]1NCc1c(O)cccc1OC	765794531	DBYUWEQVNRPQIZ-PWSUYJOCSA-N	278.352	1.405	10	20	CDCD	
CN(C)c1cc(F)c(CN2CCCNC(=O)C2)cc1F	862232711	ADQLGDLBTHHNNE-UHFFFAOYSA-N	283.322	1.353	10	20	CDCD	
Cc1ccc(O)c([C@@H](C)N[C@@H]2CCOC[C@H]2O)c1	872141576	ZBNSNFDHMSBWBF-MPKXVKKWSA-N	251.326	1.501	10	20	CDCD	
CCNC(=O)N1CCN(Cc2c(O)cccc2OC)CC1	768213788	SSRRMXYOXFOKRN-UHFFFAOYSA-N	293.367	1.248	10	20	CDCD	
C[C@@H](NC(=O)[C@@H]1CCC(=O)N1C)c1ccc(N(C)C)cc1	773021139	YXTSENDIBNBDBA-RISCZKNCSA-N	289.379	1.551	10	20	CDCD	
CCC[C@]1(C)C(=O)NCCN1C(=O)Cc1ccc(N)cc1	877224384	IOBUPNXTQBVIAQ-MRXNPFEDSA-N	289.379	1.329	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC[C@H]2C[C@@H](N)C2)c1	873250376	GVNPZOKUCIUJMF-MXWKQRLJSA-N	250.342	1.789	10	20	CDCD	
O=Cc1cc(C(=O)NCc2ccc(O)c(O)c2)cs1	778925553	LMKVFHRRSWTMSN-UHFFFAOYSA-N	277.301	1.902	10	20	CDCD	
O=C(Cc1ccccc1CO)NCc1ccc(O)c(O)c1	779811977	JIHCRAAVVXROHQ-UHFFFAOYSA-N	287.315	1.449	10	20	CDCD	
C[C@@H](NCCCN1CCOCC1)c1c(O)cccc1F	886487745	SMORFNWEFZTGML-GFCCVEGCSA-N	282.359	1.904	10	20	CDCD	
C[C@@H]1C[C@H](O)CN1Cc1ccc(N(C)C)c(F)c1	788270870	UPYKLCCRVYYTIV-PWSUYJOCSA-N	252.333	1.847	10	20	CDCD	
Nc1ccc(CNC(=O)N2CCN(C3CCC3)CC2)cc1	1120681581	LOABXQVNTHQXMX-UHFFFAOYSA-N	288.395	1.649	10	20	CDCD	
CN(C)c1ccc(Cn2cc([C@H](O)C3CC3)nn2)cc1	881272541	ZHCFPRIKTCULIF-OAHLLOKOSA-N	272.352	1.836	10	20	CDCD	
OCCO[C@@H]1CCCN(Cc2cc(F)cc(F)c2O)C1	894017658	RBGAVVRDYFYRDY-GFCCVEGCSA-N	287.306	1.644	10	20	CDCD	
Cc1ccc(C(=O)NCc2ncc(Cl)n2C)c(O)c1O	780919031	QCCWBOYJSLBBQH-UHFFFAOYSA-N	295.726	1.723	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H](C)C[C@H]2CCOC2)c(O)c1O	780969463	QNUFVQFQFVJGSC-WDEREUQCSA-N	279.336	1.951	10	20	CDCD	
COc1cc(O)c(CNCC[C@H](O)C2CC2)cc1OC	898202956	OPTGCPVODHNGQX-LBPRGKRZSA-N	281.352	1.660	10	20	CDCD	
COc1cc(C)cc(CN2C[C@H](O)C[C@H]2C)c1O	894538349	JUJABSXTXCVHCO-ZYHUDNBSSA-N	251.326	1.664	10	20	CDCD	
CN(C)c1ccc(CN[C@H]2CCCC[C@H]2C(N)=O)cc1	273396513	LEPCIOCWSFOWGG-CABCVRRESA-N	275.396	1.886	10	20	CDCD	
COc1ccc(CNC(=O)[C@H]2CO[C@@H](C)C2)c(O)c1	794373429	JRLCGSSASMGRBN-GXSJLCMTSA-N	265.309	1.442	10	20	CDCD	
CCN1CC[C@H](N[C@H](C)c2cc(OC)ccc2O)C1=O	708695613	KPMPLTUHUIIPPW-MFKMUULPSA-N	278.352	1.672	10	20	CDCD	
CO[C@H]1CCN(C(=O)c2c(F)ccc(O)c2O)C[C@H]1C	1324597957	UIBHQFARUBCXAE-KCJUWKMLSA-N	283.299	1.734	10	20	CDCD	
COC(=O)[C@@H]1CCC[C@H]1NCc1cc2c(cc1O)OCO2	1255733100	LZZVAQXQDUBWQG-GHMZBOCLSA-N	293.319	1.552	10	20	CDCD	
CCN1CCC[C@@H](NC(=O)NCc2ccc(N)cc2)C1=O	1335630150	QPUXLERLJNDQEC-CYBMUJFWSA-N	290.367	1.079	10	20	CDCD	
COc1cc(C)cc(CN(CCO)C2CCOCC2)c1O	1332005138	RFYJLEQFPHUJCG-UHFFFAOYSA-N	295.379	1.683	10	20	CDCD	
CCCOc1ccc(CN[C@@H](CO)C(=O)O)cc1C	1331998237	KNQVOOXNXDGISJ-LBPRGKRZSA-N	267.325	1.319	10	20	CDCD	
O=C(N[C@@H]1CN2CCC1CC2)c1cc(O)cs1	1337410608	RXRJDQCGHUZEES-SNVBAGLBSA-N	252.339	1.278	10	20	CDCD	
COc1ccc(CNC(=S)NCCCC(=O)O)c(O)c1	1607259489	RWPJGCXCVIJDQD-UHFFFAOYSA-N	298.364	1.230	10	20	CDCD	
C[C@H](N[C@@H]1CNC[C@H]1C)c1cc(C(=O)O)ccc1O	1604357025	FVDLLHOOBKZRPC-VDDIYKPWSA-N	264.325	1.349	10	20	CDCD	
C[C@@H]1C[C@H](N[C@H](C)c2cc(C(=O)O)ccc2O)CCN1	1594261376	NOWANORHBINAQP-CKYFFXLPSA-N	278.352	1.882	10	20	CDCD	
CN(C)c1ccc(CN2[C@H](C(=O)O)[C@H]3C=C[C@H]2C3)cc1	1777039399	URUMGFNVBISYPF-QEJZJMRPSA-N	272.348	1.966	10	20	CDCD	
CCN(CC)S(=O)(=O)NCc1ccccc1O	158583645	YUEFSOLLRPBTGP-UHFFFAOYSA-N	258.343	1.068	10	20	CDCD	
CN(C)CC1CCN(C(=O)c2cccc(O)c2O)CC1	126326425	WCUYYEPAOQDYEX-UHFFFAOYSA-N	278.352	1.512	10	20	CDCD	
CCCNC(=O)CCNCc1c(C)cccc1O	876956582	LCXPXNVOKKBQQO-UHFFFAOYSA-N	250.342	1.707	10	20	CDCD	
CCN(C[C@H]1CCOC1)C(=O)Cc1ccc(N)cc1	37827203	OYAMOOULVCHLFQ-CYBMUJFWSA-N	262.353	1.696	10	20	CDCD	
CCOc1cccc(CNCCN(C)CCOC)c1O	61375400	HLEWEOBZWVFPPP-UHFFFAOYSA-N	282.384	1.459	10	20	CDCD	
OC[C@H](CC(F)F)NCc1ccc2c(c1)CCO2	717745423	QIVPMWGGUWRPDN-NSHDSACASA-N	257.280	1.727	10	20	CDCD	
Cn1nncc1CNCc1cccc(Br)c1O	394869721	BDJUTKXJQCSNTL-UHFFFAOYSA-N	297.156	1.573	10	20	CDCD	
COc1ccc(N(C)CC(=O)Nc2nncs2)cc1F	177068751	PRBMCBIEWFEARN-UHFFFAOYSA-N	296.327	1.761	10	20	CDCD	
Nc1ccc(CC(=O)N2CC[C@H](N3CCCCC3)C2)cc1	62973471	YGHCFBDLFGSCDB-INIZCTEOSA-N	287.407	1.898	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CSc2ncc[nH]2)cc1	172932399	WDPNZFNGXQUPED-UHFFFAOYSA-N	290.392	1.884	10	20	CDCD	
Nc1ccc(CC(=O)N2CC[C@H]3OCCC[C@H]3C2)cc1	1326688167	PKPSORCVBATZPQ-DZGCQCFKSA-N	274.364	1.839	10	20	CDCD	
COC(=O)[C@H](C)N[C@H](C)c1cc(OC)ccc1O	37073981	UWMPCXGOQCUURT-BDAKNGLRSA-N	253.298	1.613	10	20	CDCD	
C[C@@H]1CN(CC(C)(C)O)CCN1Cc1ccccc1O	188747008	ANFOQJPHSHPVCA-CYBMUJFWSA-N	278.396	1.669	10	20	CDCD	
Cc1ocnc1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	185386094	MXVBCJGQZMCKTK-QMMMGPOBSA-N	276.292	1.755	10	20	CDCD	
CCO[C@H](C)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	186402674	LDXKOHYHTXYJDT-VHSXEESVSA-N	267.325	1.570	10	20	CDCD	
COc1ccc(O)c(CN(C)C[C@@H]2CCC[C@@H]2O)c1	180700971	BTRVKVHHTNWENO-FZMZJTMJSA-N	265.353	1.994	10	20	CDCD	
CN(C)CCn1ccc(NC(=O)c2cccc(O)c2O)n1	188322533	YPDZKGDMFQORNG-UHFFFAOYSA-N	290.323	1.108	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)c1cccc2nn[nH]c12	188555395	UTPFSJJMZRNZIE-UHFFFAOYSA-N	284.275	1.299	10	20	CDCD	
COCCCCNCc1cc2c(cc1O)OCO2	44658344	PZLFSVRYRSIHMW-UHFFFAOYSA-N	253.298	1.637	10	20	CDCD	
COC[C@H](CCO)N[C@H](C)c1ccc(C)cc1O	230663346	NXMKQKPNDFBWNO-NEPJUHHUSA-N	253.342	1.749	10	20	CDCD	
COC[C@@H](NC(=O)NCc1ccccc1O)C1CC1	269720370	GGRZYCFVDABFFS-GFCCVEGCSA-N	264.325	1.616	10	20	CDCD	
COCCOC1CCN(C(=O)c2cccc(O)c2O)CC1	275084303	FMQRZRCOJLSKCL-UHFFFAOYSA-N	295.335	1.365	10	20	CDCD	
Cc1ccc(O)c([C@H](C)N[C@@H](CO)c2cnn(C)c2)c1	273446749	FHFLNNQUPSIKTH-FZMZJTMJSA-N	275.352	1.818	10	20	CDCD	
CCOc1cccc(CN2CCN(C(=O)NC)CC2)c1O	271174308	GTOCQGPGXIWUMC-UHFFFAOYSA-N	293.367	1.248	10	20	CDCD	
C/C=C\C(=O)NCc1ccc(N2CCOCC2)c(F)c1	379678044	VXNNSQHTUYUGRV-IHWYPQMZSA-N	278.327	1.855	10	20	CDCD	
Cc1cc(CNC(=O)c2ccc(C)c(O)c2O)n(C)n1	285660803	JVUSSISOTFZIEF-UHFFFAOYSA-N	275.308	1.378	10	20	CDCD	
COC(=O)C[C@H](C)CC(=O)NCc1cccc(OC)c1O	289721726	OLLZPJQHXLOGRD-SNVBAGLBSA-N	295.335	1.606	10	20	CDCD	
CN[C@H](C(=O)N(C)Cc1ccccc1O)c1cnn(C)c1	285691629	OQERQFMXKCFQHP-AWEZNQCLSA-N	288.351	1.045	10	20	CDCD	
COC(=O)[C@H]1CC[C@@H]1C(=O)N(C)Cc1ccccc1O	285603169	IQEKKJFYWPFUPT-RYUDHWBXSA-N	277.320	1.550	10	20	CDCD	
C[C@@H](CN1CCCC1=O)NC(=O)NCc1ccccc1O	299463576	ANMHHOMGMCQGFR-NSHDSACASA-N	291.351	1.202	10	20	CDCD	
CC(C)[C@@H](O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	803122030	WCMIVMXMOOODMJ-SMDDNHRTSA-N	264.369	1.947	10	20	CDCD	
CC1(C)CN(C(=O)c2c(F)ccc(O)c2O)C[C@H]1O	296422077	UVSSXIFAVZTQHS-SECBINFHSA-N	269.272	1.080	10	20	CDCD	
COc1ccc(CNC(=O)NOC/C=C/Cl)c(O)c1	811981757	HWCFEQLILDTZGJ-GORDUTHDSA-N	286.715	1.884	10	20	CDCD	
C[C@H](NC[C@H]1CNCCCO1)c1ccc(F)cc1O	817981463	KOMOQWGRFBBURV-CMPLNLGQSA-N	268.332	1.560	10	20	CDCD	
CCOc1ccc(CNCC2(CC(N)=O)CC2)c(O)c1	817411058	LYVANXUVOQGOPI-UHFFFAOYSA-N	278.352	1.536	10	20	CDCD	
CCOc1ccc(CN(C)[C@@H](CC)CO)c(O)c1	824533550	HNPDPNJJRMPLKO-LBPRGKRZSA-N	253.342	1.994	10	20	CDCD	
CC[C@@H](C[C@H](C)CO)NC(=O)c1c(F)ccc(O)c1O	827472414	GFIXEWBVVLTLAB-IUCAKERBSA-N	285.315	1.764	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2cc(O)n(C)n2)cc1F	824669230	HAYPVQFBECZDJK-UHFFFAOYSA-N	292.314	1.261	10	20	CDCD	
CC[C@@H](NCc1cc(OC)c(OC)cc1O)C(=O)O	820418784	GWHQOEXPDUSHKI-SECBINFHSA-N	269.297	1.362	10	20	CDCD	
CC[C@@H](OC)C(=O)NC[C@H](N)c1ccc(N(C)C)cc1	832280311	OSXLLSDTCDKJQY-UONOGXRCSA-N	279.384	1.294	10	20	CDCD	
COc1cc2c(c(OC)c1)N(Cc1ncnn1C)CCC2	839656619	OSHIFFVQHLGBBR-UHFFFAOYSA-N	288.351	1.785	10	20	CDCD	
Cc1[nH]ccc1C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1	843298381	NVZYFUPIPZYWOG-OAHLLOKOSA-N	286.379	1.819	10	20	CDCD	
C[C@H]1C[C@@H](NC(=O)c2c(F)ccc(O)c2O)CO1	844153952	PQEBGMQEWDVPAU-NKWVEPMBSA-N	255.245	1.144	10	20	CDCD	
COc1cccc([C@@H](C)NCc2cncn2C)c1O	846172718	OODPTVLYZKQSJL-SNVBAGLBSA-N	261.325	1.985	10	20	CDCD	
C[C@H]1[C@@H](C)N(C(=O)Nc2ccc(N)cc2)CCN1C	841295568	BLIOIMWMZDDLHD-WDEREUQCSA-N	262.357	1.825	10	20	CDCD	
Oc1cc2c(cc1CNCC[C@H]1CCNC1)OCO2	841036926	QHJKSKWFECZKST-SNVBAGLBSA-N	264.325	1.210	10	20	CDCD	
Oc1cc2c(cc1CN1CC[C@]3(CCNC3)C1)OCO2	843120428	KMSFNPDKCZZYBL-HNNXBMFYSA-N	276.336	1.306	10	20	CDCD	
COC(=O)NC1CCN(C(=O)Nc2ccc(N)cc2)CC1	853321733	UJNXNGIKSNWMNI-UHFFFAOYSA-N	292.339	1.621	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2ccc(N)cc2O)cc1	752517562	TYRPZNZHUDUBSE-UHFFFAOYSA-N	285.347	1.970	10	20	CDCD	
Cn1cnc(/C=C\C(=O)N2CCCc3ncccc32)c1	929690237	HYNLDNBXJARSMZ-SREVYHEPSA-N	268.320	1.808	10	20	CDCD	
COC[C@H]1COCCN1Cc1cc(F)cc(C(C)=O)c1O	933338451	ZMUPTBBERGFGBG-ZDUSSCGKSA-N	297.326	1.581	10	20	CDCD	
CO[C@H](C(=O)NCc1cc(C)ccc1O)C(C)C	862757038	FCEFWKLGBZOVGG-ZDUSSCGKSA-N	251.326	1.988	10	20	CDCD	
Nc1ccc(CCNC(=O)CCc2ccncc2)cc1	132693123	FEVQIUHRMVDGAU-UHFFFAOYSA-N	269.348	1.955	10	20	CDCD	
CC(C)[C@H](C(=O)N(C)c1ccc(N)cc1)N1CCCC1=O	877078206	IAMVSWGDDXKCHH-OAHLLOKOSA-N	289.379	1.879	10	20	CDCD	
CCN1CC(NC(=O)c2ccc(N=NC(N)=O)cc2)C1	1031464458	SFXJWHLBQZTCLQ-UHFFFAOYSA-N	275.312	1.283	10	20	CDCD	
C[C@H](OC[C@@H]1CCCO1)C(=O)N(C)c1ccc(N)cc1	877078422	PJWJEWSDWPRUCL-FZMZJTMJSA-N	278.352	1.816	10	20	CDCD	
Cc1cccc(O)c1CN1CCN([C@H]2CCC[C@@H]2O)CC1	876688702	VYOASUSSSKUQLJ-RDJZCZTQSA-N	290.407	1.732	10	20	CDCD	
Cc1noc([C@H](C)N(C)C(=O)NCc2ccc(N)cc2)n1	1120584694	RQUSDKHEWMGNPL-VIFPVBQESA-N	289.339	1.863	10	20	CDCD	
O=C(CC1(O)CCC1)NCc1cccc(O)c1O	1123977707	LVEYDPMXJGSDSR-UHFFFAOYSA-N	251.282	1.019	10	20	CDCD	
OCc1nnc(NCc2ccc(N3CCOCC3)cc2)o1	789881978	WQCYTKFYZYZAKU-UHFFFAOYSA-N	290.323	1.011	10	20	CDCD	
CCOC[C@H]1CN(C(=O)NCc2ccc(N)cc2)CCO1	1120584326	DEFGZOATQGWKNU-CQSZACIVSA-N	293.367	1.216	10	20	CDCD	
CCn1cc(CC(=O)NCc2cc(OC)ccc2O)cn1	780935938	PGMOQWRUCAHFLF-UHFFFAOYSA-N	289.335	1.476	10	20	CDCD	
COc1cc(C)cc(CN[C@H](CO)c2cnn(C)c2)c1O	894366009	JJXPQITUZYDGFJ-CYBMUJFWSA-N	291.351	1.266	10	20	CDCD	
COC(=O)C1(CNC(=O)c2cc(O)cs2)CCOCC1	782132288	OCEWDLJSLRUECN-UHFFFAOYSA-N	299.348	1.153	10	20	CDCD	
COc1cc(C)cc(CNC[C@H]2CC(C)=NO2)c1O	895299682	MMRYWLOHLOXZLK-GFCCVEGCSA-N	264.325	1.964	10	20	CDCD	
COc1cc(O)c(CN[C@@H](C)c2n[nH]c(C)n2)cc1OC	894771987	CSEUKNSVSYLBIG-QMMMGPOBSA-N	292.339	1.687	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CCCC(=O)N1	799634326	UFUNFUMBZOMGGM-CQSZACIVSA-N	289.379	1.346	10	20	CDCD	
O=C1NCCN1CCNCc1cccc(Cl)c1O	895814864	RFIFIROSMZEAGK-UHFFFAOYSA-N	269.732	1.160	10	20	CDCD	
COc1ccc(O)c(CNCc2cc(C)ncn2)c1	776252902	GJDQNLGYLUCKNP-UHFFFAOYSA-N	259.309	1.789	10	20	CDCD	
Nc1ccc(CN2CCS(=O)(=O)C[C@H]2C2CCC2)cc1	1336117390	LUSGIDAGWRTEFB-HNNXBMFYSA-N	294.420	1.668	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CC[C@@H]1C	1334310607	ZLHLLRRVFNHQCQ-LBPRGKRZSA-N	289.379	1.298	10	20	CDCD	
COc1ccc(N(C)CCN(C)c2ncc(O)cn2)cc1	1339757669	RVCDNAQAODGKGA-UHFFFAOYSA-N	288.351	1.763	10	20	CDCD	
COC[C@@](C)(CC(=O)OC)NCc1ccc(N)cc1	1345159512	JHLJQINFFRFBGN-CQSZACIVSA-N	266.341	1.327	10	20	CDCD	
CC[C@@H](CNC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)O	1605028184	OIUYQNKZRGGBPQ-OAQKJQOQSA-N	279.292	1.338	10	20	CDCD	
CC(C)C[C@H](O)CNCc1cc2c(cc1O)OCO2	227442319	MEMDFSAQBNBOMK-NSHDSACASA-N	267.325	1.618	10	20	CDCD	
Cc1cc(C)c(O)c(CN2CCO[C@@H](CC(=O)O)C2)c1	1610455866	MPKCDAXDLYWFHZ-ZDUSSCGKSA-N	279.336	1.685	10	20	CDCD	
CNC(=O)[C@@]1(C)CCN(Cc2cccc(OC)c2O)C1	228099057	GPBKARBNJDNWCL-HNNXBMFYSA-N	278.352	1.359	10	20	CDCD	
CNc1cc(CNC(=O)NCCc2ccc(N)cc2)ccn1	1578755263	UTFSYXZKVWARQP-UHFFFAOYSA-N	299.378	1.747	10	20	CDCD	
COc1ccc(CNC2(CO)CCNCC2)cc1C	1579216528	YMQNRNUPIJNFGY-UHFFFAOYSA-N	264.369	1.208	10	20	CDCD	
NC[C@]12CC[C@H]1CCN2Cc1ccc(F)c(F)c1O	1580253405	LZKLHYRQYAQKSM-IINYFYTJSA-N	268.307	1.984	10	20	CDCD	
CC1(C)C[C@]1(C(=O)O)C(=O)N1Cc2cccc(O)c2C1	1589212130	GMWBGFKEYQXQGE-OAHLLOKOSA-N	275.304	1.735	10	20	CDCD	
CN(C)c1ccc(CN2CCOC[C@H]2CC(=O)O)cc1	130095776	LAIASGOURMZNPP-CQSZACIVSA-N	278.352	1.428	10	20	CDCD	
COc1cccc(CN2CCC3(CCNCC3)C2)c1O	843120166	GPIYLOUPGLFOOM-UHFFFAOYSA-N	276.380	1.976	10	20	CDCD	
CCNC(=O)[C@@H](C)N[C@@H](C)c1ccc(N(C)C)cc1	37268340	DGTIZGYZUPXSAC-NWDGAFQWSA-N	263.385	1.928	10	20	CDCD	
CC[C@]1(NC(=O)c2cccc(O)c2O)CCOC1	386094711	PZLCICVEWZTYLR-ZDUSSCGKSA-N	251.282	1.397	10	20	CDCD	
Cc1ccc(C(=O)NC[C@@H](C)CN2CCCC2)c(O)c1O	177673558	FZIGQDDAFATRLJ-LLVKDONJSA-N	292.379	1.868	10	20	CDCD	
COc1cccc(CNC(=O)c2oc(C)nc2C)c1O	175216317	FQHAQETWHWCTOX-UHFFFAOYSA-N	276.292	1.936	10	20	CDCD	
CN(C)c1ccc(CNCC(C)(C)N2CCOCC2)cc1	20097101	XCXWRGZXJOXVTH-UHFFFAOYSA-N	291.439	1.953	10	20	CDCD	
COCC1(CNC(=O)NCc2ccc(N)cc2)CCC1	1346430624	XNJNZWDUIJLLBJ-UHFFFAOYSA-N	277.368	1.885	10	20	CDCD	
C[C@H](CN1CCOCC1)NCc1ccc(N(C)C)c(F)c1	113322282	JKQXJIMRGJRZSJ-CYBMUJFWSA-N	295.402	1.702	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CCSCC1	180667507	CEZIEWOGKKMTTL-DUXPYHPUSA-N	265.334	1.686	10	20	CDCD	
COc1cc(O)c(CN[C@@H]2C[C@H](O)C2(C)C)cc1OC	189965041	GOGZXZJZMHLZBR-KGLIPLIRSA-N	281.352	1.658	10	20	CDCD	
CCN(C(=O)c1ccoc1CC(N)=O)c1ccccc1	505636409	QNDSGGIQEBFZRX-UHFFFAOYSA-N	272.304	1.974	10	20	CDCD	
CCOC(=O)[C@@H](C)NCc1ccc(N2CCOCC2)cc1	49370305	UHBIPOPYWVATAR-CYBMUJFWSA-N	292.379	1.564	10	20	CDCD	
O=[N+]([O-])c1cc(Cl)cc(CNCCCCO)c1O	193256336	NFQUUHFWZZKMKN-UHFFFAOYSA-N	274.704	1.816	10	20	CDCD	
Cc1cc(O)c(CN[C@@H](C)C(=O)N(C)C)cc1C	191737024	YFSSQMUDGXWWNZ-NSHDSACASA-N	250.342	1.575	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CC[C@H](N)C1	237151372	GAPDWDNRWYGZJS-RYUDHWBXSA-N	289.379	1.605	10	20	CDCD	
Oc1cccc2c1[C@H](NC[C@@]1(O)CCSC1)CC2	297744370	OCYMIBHSDSEVEN-RISCZKNCSA-N	265.378	1.837	10	20	CDCD	
Cc1ccc(C(=O)NC[C@@]2(O)CCSC2)c(O)c1O	271325723	YFBPANSZPBMROB-ZDUSSCGKSA-N	283.349	1.004	10	20	CDCD	
COc1cccc(CNC(=O)NOC[C@H]2CCOC2)c1O	276382343	WWIAFQJPTQOYIW-JTQLQIEISA-N	296.323	1.168	10	20	CDCD	
COc1cccc(CN2CCC[C@@](F)(CO)C2)c1O	289915161	VIUPPOQYGYAAJX-AWEZNQCLSA-N	269.316	1.697	10	20	CDCD	
CN(C)c1ccc(CNC(=O)Nc2ccn(C)n2)cc1	299599090	FEKLNLHJLAMHFY-UHFFFAOYSA-N	273.340	1.808	10	20	CDCD	
CCc1[nH]ccc1C(=O)NCc1ccc(O)c(O)c1	802785212	YJXHIEVIUOWBLK-UHFFFAOYSA-N	260.293	1.918	10	20	CDCD	
Cc1nc(C(=O)OCC(=O)c2ccc(O)c(O)c2)c(C)o1	814501160	KETSUCUZPBSKLW-UHFFFAOYSA-N	291.259	1.742	10	20	CDCD	
COC(=O)[C@@H]1[C@H]2CN(Cc3cccc(Cl)c3O)C[C@H]21	814173910	SGETUPYRCCCWLP-IAZYJMLFSA-N	281.739	1.896	10	20	CDCD	
COCc1nn(C)cc1C(=O)N[C@H](C)c1ccccc1O	827952331	OERAYMUISMHCPL-SNVBAGLBSA-N	289.335	1.763	10	20	CDCD	
O=[N+]([O-])c1cc(Cl)cc(CNC[C@H](O)C2CC2)c1O	734844575	OBYWAUNMMDTHBS-NSHDSACASA-N	286.715	1.814	10	20	CDCD	
COc1cccc(CNC(=O)[C@H]2C[C@H]3CC[C@H]2O3)c1O	733805431	IKJNAFXVVWEZKC-GRYCIOLGSA-N	277.320	1.585	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@@H](O)c1cccnc1	734557206	BWTNDNLQLLABEK-INIZCTEOSA-N	299.374	1.806	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2cnc3n2CCC3)c1	830545420	YOKNIXSKLXAUAU-UHFFFAOYSA-N	287.319	1.474	10	20	CDCD	
CC(C)c1nccn1CC(=O)NCc1ccc(O)cc1O	910944667	WOGMRXKZGNSJEQ-UHFFFAOYSA-N	289.335	1.734	10	20	CDCD	
CN[C@@H](C)C(=O)N[C@H](C)c1cc(OC)ccc1O	848427264	UXXMMOAUHWJCQP-BDAKNGLRSA-N	252.314	1.186	10	20	CDCD	
C[C@@H](C(=O)NCc1ccc(N(C)C)cc1)c1cnn(C)c1	749874958	SEZIWSCTIVVMPW-GFCCVEGCSA-N	286.379	1.906	10	20	CDCD	
Nc1ccc(CCNC(=O)NCCC2=CCNCC2)cc1	841955964	SJBGHDRAJVPGGN-UHFFFAOYSA-N	288.395	1.420	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)[C@@H]1CCN1C1CCCC1	910942271	ATVVUXKYGTYABE-AWEZNQCLSA-N	290.363	1.731	10	20	CDCD	
Cc1nc(CCNCc2ccc(N(C)C)cc2C)n[nH]1	840937277	RIZBFYRBIXTYCV-UHFFFAOYSA-N	273.384	1.820	10	20	CDCD	
CC(=O)c1cc(F)cc(CN[C@H]2C[C@@H](O)C2(C)C)c1O	846960204	MVFOSGNPWAMLRL-QWHCGFSZSA-N	281.327	1.983	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1C[C@H]2C[C@H]2N1	843488047	OECMBNCJTHMIOS-BMFZPTHFSA-N	287.407	1.852	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2C[C@H](C)NC[C@H]2C)c1O	843120117	XXRHEOWOUKMDCQ-VHSXEESVSA-N	295.339	1.491	10	20	CDCD	
COc1cccc([C@@H](C)NCC(=O)NCC2CC2)c1O	846164016	UNAQGNCDCPAFQS-SNVBAGLBSA-N	278.352	1.578	10	20	CDCD	
CCOc1ccc(O)c(CNC[C@@H]2CCCNC2)c1	841033775	ZJBGSTKCRKHOCM-GFCCVEGCSA-N	264.369	1.880	10	20	CDCD	
CC(C)C[C@@H](C(N)=O)C(=O)NCc1cc(Cl)ccc1O	846476618	NTBVIBBZSZNNHF-NSHDSACASA-N	298.770	1.809	10	20	CDCD	
O=C(OCC[C@@H]1CCOC1=O)c1cc(O)cs1	754094215	FKXXISGVCQXTPM-ZETCQYMHSA-N	256.279	1.564	10	20	CDCD	
CN(C)c1ccc(CNC(=O)/C=C/c2cn(C)cn2)cc1	929403819	JSRWQUBNQOMTCU-RMKNXTFCSA-N	284.363	1.816	10	20	CDCD	
CC[C@@H](C)[C@H](OC(=O)c1cccc(O)c1O)C(=O)OC	922619190	DLMRNTMOPSTSFG-PELKAZGASA-N	282.292	1.842	10	20	CDCD	
CON(C)C(=O)[C@@H](C)N[C@@H](C)c1ccc(C)cc1O	858587943	SOZXKBWPIJJNEE-WDEREUQCSA-N	266.341	1.760	10	20	CDCD	
O=C(c1cc(O)cs1)N1CC[C@@H]([C@H]2CCOC2)C1	750538395	HJTTWHCXBRADLE-ZJUUUORDSA-N	267.350	1.952	10	20	CDCD	
CCN(CCN)Cc1cc(F)cc(C(C)=O)c1O	863551433	MIBVVPDBWDTPIF-UHFFFAOYSA-N	254.305	1.515	10	20	CDCD	
CNC(=O)[C@H]1CCCCN1Cc1cc(C)ccc1O	133040125	CZUCFRPIEHOUKP-CYBMUJFWSA-N	262.353	1.801	10	20	CDCD	
CCc1cccc(CN[C@H]2C(=O)NCC2(C)C)c1O	864052229	FLIWHOKLYOQGNS-ZDUSSCGKSA-N	262.353	1.569	10	20	CDCD	
COCn1ccc(C(=O)NCc2cc(C)ccc2O)n1	862755785	YIBGOPIIOOANCY-UHFFFAOYSA-N	275.308	1.431	10	20	CDCD	
CCOc1ccc(CN(C)[C@@H]2CCC(=O)N(C)C2)c(O)c1	862428631	STLXOTSAXHCMSI-CYBMUJFWSA-N	292.379	1.844	10	20	CDCD	
CC[C@@H](NC(C)=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	867504159	SKKHRBAXYUDPQI-IAQYHMDHSA-N	291.395	1.845	10	20	CDCD	
CN1C[C@@H](NC(=O)c2ccc(CN=[N+]=[N-])s2)CC1=O	1537963161	XJJHRJSQXCONHD-ZETCQYMHSA-N	279.325	1.519	10	20	CDCD	
CNC(=O)CCCCC(=O)N(C)Cc1ccccc1O	779648856	QNTJIFXBXATPSH-UHFFFAOYSA-N	278.352	1.657	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NCCC[C@H](C)CO)c1	875429285	HZGVWHIPUGOVIK-LBPRGKRZSA-N	280.368	1.908	10	20	CDCD	
CCNC(=O)CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1	773631858	YRPFIWVFKJIVEZ-NSHDSACASA-N	292.383	1.249	10	20	CDCD	
O=C(Nc1cccc(-n2cnnc2)c1)c1cccc(O)c1O	1123926777	XJNNTORADJYMRC-UHFFFAOYSA-N	296.286	1.931	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1C(=O)N[C@H](C)C1=O	777654990	BWQJKSXHFHGDEL-SNVBAGLBSA-N	261.325	1.501	10	20	CDCD	
OC[C@H](CNCc1cc(F)cc(F)c1O)[C@@H]1CCOC1	883109327	MYZBMATZSPLRJO-KOLCDFICSA-N	287.306	1.405	10	20	CDCD	
CN(C)c1ccc(Cn2cc(-c3ccn(C)n3)nn2)cc1	881270870	CVSWCMIQZZBGKY-UHFFFAOYSA-N	282.351	1.793	10	20	CDCD	
CC[C@H](F)C(=O)NC[C@H](N)c1ccc(N(C)C)cc1	1121809523	FURSUDSGXUBSHV-STQMWFEESA-N	267.348	1.617	10	20	CDCD	
COc1ccc(CNCC2CCN(C)CC2)c(O)c1OC	892943542	HLWUNRYELPSSDO-UHFFFAOYSA-N	294.395	1.841	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNC[C@H]2CCN2C)c1O	896593567	BXQQZXALOUZKPR-SNVBAGLBSA-N	281.312	1.103	10	20	CDCD	
CCCN(CCC(=O)NC(N)=O)Cc1ccccc1O	103479543	BECXACJZSCQXGI-UHFFFAOYSA-N	279.340	1.189	10	20	CDCD	
CO[C@@H]1CCOC[C@H]1NC(=O)N(C)Cc1ccccc1O	898099984	GYSKUSKKLGXSNC-TZMCWYRMSA-N	294.351	1.338	10	20	CDCD	
COc1cccc(O)c1CN(CCO)CC(F)F	793302445	GDIWFQWXJPTARK-UHFFFAOYSA-N	261.268	1.460	10	20	CDCD	
CC[C@@H](NCc1cc(Cl)ccc1O)C(=O)NC	697822388	BSEAFQRMSMQACF-SNVBAGLBSA-N	256.733	1.660	10	20	CDCD	
COc1ccc(N(C)CC2(CO)COC2)c(OC)c1	131703908	HXBDPBQQKQVYLM-UHFFFAOYSA-N	267.325	1.149	10	20	CDCD	
O=C(O)[C@H]1CC[C@H](NCc2ccc3c(c2)CCO3)C1	1601795045	ZXMJRWXMOYHESM-STQMWFEESA-N	261.321	1.964	10	20	CDCD	
C[C@@H](NCCOCCN(C)C)c1cc(C(=O)O)ccc1O	1604341250	OYORWRCAYBXERD-LLVKDONJSA-N	296.367	1.319	10	20	CDCD	
C[C@]1(C(=O)O)CCN(C(=O)NCCc2ccc(N)cc2)C1	1593790127	HUKNETNBDVQTKU-HNNXBMFYSA-N	291.351	1.318	10	20	CDCD	
CCOc1ccccc1NC[C@H](O)COCCOC	233774897	VLVXDSKZKVUOKQ-LBPRGKRZSA-N	269.341	1.521	10	20	CDCD	
C[C@H](CNCc1cccc(Cl)c1O)S(C)(=O)=O	697643758	XHXWBTHEWUCGTA-MRVPVSSYSA-N	277.773	1.568	10	20	CDCD	
CN1CCCc2cc(CNC(=O)[C@H]3COCCO3)ccc21	58770196	VEINCQWPFUHKRK-OAHLLOKOSA-N	290.363	1.101	10	20	CDCD	
COc1ccc(O)c(CNC(=O)C[C@@H]2CCCO2)c1	172044045	XQZAMRDTZJXGKR-LBPRGKRZSA-N	265.309	1.586	10	20	CDCD	
COc1cccc(CNc2cnn(C)c(=O)c2Cl)c1O	301159461	BCCSPOJDDNEROJ-UHFFFAOYSA-N	295.726	1.760	10	20	CDCD	
O=C1CN(Cc2cc(Br)ccc2O)CCN1	179591748	AMJZXSQCEDZGBJ-UHFFFAOYSA-N	285.141	1.087	10	20	CDCD	
C[C@@H]1C[C@H](C(=O)NCc2cccc(O)c2O)[C@@H](C)O1	1352672999	ZGZWEHIQLGYNKU-KKZNHRDASA-N	265.309	1.528	10	20	CDCD	
Cc1cccc(CN2CCN(c3cnn(C)c3)CC2)c1O	180240606	BLPPPOWZZJBJQN-UHFFFAOYSA-N	286.379	1.756	10	20	CDCD	
C[C@@H](NCCCS(C)(=O)=O)c1ccccc1O	38047288	OSPJAYBJUMPLOZ-SNVBAGLBSA-N	257.355	1.478	10	20	CDCD	
Cc1ccc(CCNC(=O)c2cccc(O)c2O)cn1	187085899	HJMIQRCPNXVUHK-UHFFFAOYSA-N	272.304	1.774	10	20	CDCD	
CN(C)c1ccc(CN2CCC[C@@H]2C(=O)NC2CC2)cc1	121439012	TXZAYYOUBAYUHG-MRXNPFEDSA-N	287.407	1.996	10	20	CDCD	
CONC(=O)NCc1ccc(N2CCSCC2)cc1	48851355	ZEEBHNLCIWSRNJ-UHFFFAOYSA-N	281.381	1.600	10	20	CDCD	
CCOc1cccc(CN(C)CC2CC(O)C2)c1O	191164004	WSHLJIOWWAULJD-UHFFFAOYSA-N	265.353	1.994	10	20	CDCD	
CC(C)CN(C)CC(=O)NCc1ccc(N(C)C)cc1	49442485	SKKMEMIQDMEGEH-UHFFFAOYSA-N	277.412	1.957	10	20	CDCD	
CCN(CC)c1ccc(CN2C[C@H](O)[C@H](O)C2)cc1	93483913	ZVUCBPKWHATXGY-GASCZTMLSA-N	264.369	1.070	10	20	CDCD	
CCC[C@H](N)C(=O)NCc1ccc(N(C)C)c(F)c1	236880543	ZLHGPKWTVXBPOI-LBPRGKRZSA-N	267.348	1.635	10	20	CDCD	
COc1cccc(CNCC[C@H]2CCOC2)c1O	230164699	DOGOSUSHOCTVJD-NSHDSACASA-N	251.326	1.917	10	20	CDCD	
CC[C@@H](C)CS(=O)(=O)NCc1ccccc1O	265840306	WNMURBZXURRFPJ-SNVBAGLBSA-N	257.355	1.858	10	20	CDCD	
Cc1ccc([C@H](C)NC[C@@H]2CN(C)CCN2C)c(O)c1C	273612175	WLIINLVSXIQXIO-LSDHHAIUSA-N	291.439	1.905	10	20	CDCD	
CC[C@@H](CCO)CNCc1ccc([N+](=O)[O-])c(OC)c1O	278538351	WVKCBZJPGMSEFV-JTQLQIEISA-N	298.339	1.807	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)NC[C@@H](O)C(C)C)c1	273616618	XLUWQFLQSPHOKM-IINYFYTJSA-N	281.352	1.846	10	20	CDCD	
CC[C@H](NCC(=O)N1CCOCC1)c1ccc(F)cc1O	285973112	GEKCDMGJPITIRG-ZDUSSCGKSA-N	296.342	1.431	10	20	CDCD	
CN(C)c1ccc(CNCCC2(O)CCOCC2)cc1F	285483129	LMPHEAIPFIMFJI-UHFFFAOYSA-N	296.386	1.913	10	20	CDCD	
COc1cc(C)cc(CN(C)Cc2nncn2C)c1O	808214962	BYHIXPATFPTFRW-UHFFFAOYSA-N	276.340	1.470	10	20	CDCD	
CC[C@H](O)CNC(=O)c1cc(C)n(-c2ccccn2)c1C	292321468	JEIXADRAOIAVEM-ZDUSSCGKSA-N	287.363	1.990	10	20	CDCD	
C[C@H](NC(=O)C1CCCC1)C(=O)NCc1ccccc1O	299610760	XPCYCGGJCIZECG-NSHDSACASA-N	290.363	1.703	10	20	CDCD	
C[C@H](CO)N(C)Cc1cccc(Br)c1O	809746317	SZUOATFVOJWSOQ-MRVPVSSYSA-N	274.158	1.967	10	20	CDCD	
CCOc1cccc(CNCCCc2cnn(C)n2)c1O	293127606	ZOCWZCITCBQMEE-UHFFFAOYSA-N	290.367	1.642	10	20	CDCD	
CCOc1ccc(CN(CC)[C@@H](C)CO)c(O)c1	816653963	OLJHUFRFLYSNSR-NSHDSACASA-N	253.342	1.994	10	20	CDCD	
NC(=O)CN1C(=O)/C(=C\c2ccsc2)SC1=S	727176580	MSJUODPRCIYJTK-XVNBXDOJSA-N	284.387	1.435	10	20	CDCD	
Cc1cc(O)c(CNCC(=O)NCC2CC2)cc1Cl	825445648	BEYRIWJAOAACLP-UHFFFAOYSA-N	282.771	1.970	10	20	CDCD	
CC(=O)c1cc(F)cc(CNC(C)(C)C(=O)O)c1O	825946671	KFGUFCMEZXRQTE-UHFFFAOYSA-N	269.272	1.687	10	20	CDCD	
CO[C@](C)(C(=O)O)C(=O)N[C@H](C)c1ccccc1O	902516801	LITJRDTXGQPZFQ-OQPBUACISA-N	267.281	1.059	10	20	CDCD	
C[C@H](CNC(=O)c1cc(O)cs1)N(C)C1CC1	732284797	CBKDHQMQRUBDGL-MRVPVSSYSA-N	254.355	1.666	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)C2(C(N)=O)CC2)cc1	731612399	TXXBYWXLBUSWQO-UHFFFAOYSA-N	289.379	1.415	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N[C@@]2(C)CCNC2)cc1F	831018893	TXODZZMUUZGZKY-HNNXBMFYSA-N	294.374	1.443	10	20	CDCD	
COC(=O)[C@@H]1CCN(C(=O)c2c(F)ccc(O)c2O)[C@H]1C	830082748	QFYHVPYQICZSGL-JGVFFNPUSA-N	297.282	1.261	10	20	CDCD	
O=C(O)C1(C(=O)NCc2cc(Cl)ccc2O)CCC1	911331867	QSTXDCHHYWEZDS-UHFFFAOYSA-N	283.711	1.917	10	20	CDCD	
CC[C@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccc(N)cc1	841067020	IMDRGZPTKFGJCD-GXFFZTMASA-N	275.352	1.902	10	20	CDCD	
CN(CCN1CCCCC1)C(=O)c1c(F)ccc(O)c1O	846662462	RTZZPINBKIVMSS-UHFFFAOYSA-N	296.342	1.795	10	20	CDCD	
C[C@H](N)[C@H]1CN(Cc2cccc(Cl)c2O)CCO1	843058302	RGCFOIRCBQDPAT-JOYOIKCWSA-N	270.760	1.594	10	20	CDCD	
CNCCC(=O)N(C)CCN(C)c1ccc(OC)cc1	846697113	KOLQWSNQVOBYCV-UHFFFAOYSA-N	279.384	1.199	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)[C@@H]1C[C@H]1c1cccnc1	910945011	SDUJTZMYTLSDCT-UONOGXRCSA-N	284.315	1.913	10	20	CDCD	
CC[C@@H](N)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	843483822	FKXRDXSPSAKPJB-UONOGXRCSA-N	292.379	1.637	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNC[C@@H]2CCCCN2)c1O	841033176	OGJRSQGWIOPNNB-NSHDSACASA-N	295.339	1.541	10	20	CDCD	
CC[S@](=O)CCNCc1cc(F)c(N(C)C)cc1F	858132884	HICDSCGCSCNJSL-IBGZPJMESA-N	290.379	1.889	10	20	CDCD	
CCn1cc(C(=O)NCc2ccc(N(C)C)c(F)c2)nn1	931146283	CAAKELAHTMXLJV-UHFFFAOYSA-N	291.330	1.433	10	20	CDCD	
COC[C@](C)(CC(=O)OC)NCc1ccc(N(C)C)cc1	757926779	OMKJAPLUBCTYEY-INIZCTEOSA-N	294.395	1.810	10	20	CDCD	
CC(C)(C)OC(=O)NCC(=O)NCc1ccc(O)c(O)c1	768915149	ZSWHXNQITZTEJN-UHFFFAOYSA-N	296.323	1.239	10	20	CDCD	
CCOC(=O)C[C@H](C)CNC(=O)c1cc(O)cs1	761029382	OMPXBHXAHUVGRY-QMMMGPOBSA-N	271.338	1.773	10	20	CDCD	
C[C@H](N)CN(C)Cc1cccc(Br)c1O	863653550	MYZAFGIOJLKPPG-QMMMGPOBSA-N	273.174	1.934	10	20	CDCD	
CN(C)c1ccc([C@@H](N)CNCC2=CCCOC2)cc1	863642060	PPJBIVQQMYWBOK-INIZCTEOSA-N	275.396	1.689	10	20	CDCD	
CCCCN(CC(N)=O)Cc1cccc(OC)c1O	132871980	ZOZDQHYZOWCYAK-UHFFFAOYSA-N	266.341	1.488	10	20	CDCD	
COCC1(C(=O)NCc2ccc(N(C)C)c(F)c2)CC1	778672727	OLCJPLCEOPIDFJ-UHFFFAOYSA-N	280.343	1.935	10	20	CDCD	
CCN(C)c1ccc([C@@H](C)N[C@@H]2CCOC[C@H]2O)cc1	872141039	IVYFOPUTCRBRBY-DAXOMENPSA-N	278.396	1.943	10	20	CDCD	
CC[C@@]1(O)CCCN(C(=O)/C=C\c2ccc(O)c(O)c2)C1	870680807	NDZMTHMHMQOIGS-GMNBZTITSA-N	291.347	1.875	10	20	CDCD	
COCCOC[C@H](C)NC(=O)/C=C\c1ccc(O)c(O)c1	779523944	HACRQXNTWYGYAL-QZPNVGJNSA-N	295.335	1.279	10	20	CDCD	
O=C(N[C@H]1CCC[C@H]1CCO)c1cc(O)cs1	779664430	UFJXVUJCPJQUSD-WPRPVWTQSA-N	255.339	1.735	10	20	CDCD	
COc1ccc(O)c(CNc2nnc(C)c(C)n2)c1	775478017	ZPWXRBGJLCAEPH-UHFFFAOYSA-N	260.297	1.815	10	20	CDCD	
COc1ccc(O)c(CN(C)Cc2nnc3n2CCC3)c1	775646146	UKTYOXXBSZNPJX-UHFFFAOYSA-N	288.351	1.571	10	20	CDCD	
Nc1ccc(CC(=O)N[C@@]23CCCC[C@@H]2NC(=O)C3)cc1	1122328944	ZXFYESLUIRSUOC-XJKSGUPXSA-N	287.363	1.129	10	20	CDCD	
O=C(NCc1cccc(O)c1O)[C@@H]1CCc2cncn2C1	1123978211	RKWHOKAVKLEZLQ-LLVKDONJSA-N	287.319	1.173	10	20	CDCD	
Nc1ccc(OCc2cn(CCC3(O)CCC3)nn2)cc1	881382878	JRNHSUNRXRTAAT-UHFFFAOYSA-N	288.351	1.744	10	20	CDCD	
Cc1cc(CNC(=O)c2ccc(C)c(O)c2O)ncn1	780995130	JIZWJBRIKGXNCW-UHFFFAOYSA-N	273.292	1.435	10	20	CDCD	
COC(=O)C(C)(C)NCc1ccc(OC)c(OC)c1O	893312381	PSMVLWBCEJHQMT-UHFFFAOYSA-N	283.324	1.451	10	20	CDCD	
Oc1cc2c(cc1CN1C[C@H]3CC[C@@H](O)[C@H]3C1)OCO2	895785630	YGHXGHHDAARPAC-ADEWGFFLSA-N	277.320	1.324	10	20	CDCD	
CN(CCCN1CCCC1=O)Cc1ccccc1O	731843552	QESBSIWSXZGGPA-UHFFFAOYSA-N	262.353	1.837	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CC(C)(C)N	84170080	REIFUHGLRXPKBZ-UHFFFAOYSA-N	263.385	1.838	10	20	CDCD	
COC(C)(C)C(=O)COC(=O)c1cc(O)cs1	798615559	KNFIJHPIJUSKRF-UHFFFAOYSA-N	258.295	1.605	10	20	CDCD	
COc1ccc(N2CCC(NC3(C(N)=O)CC3)CC2)cc1	792174409	VFZHVKRXWYGLFB-UHFFFAOYSA-N	289.379	1.272	10	20	CDCD	
Cc1ccc(O)c([C@@H](C)NCc2nnnn2C2CC2)c1	756733185	PCZHFBHDFLPMJU-SNVBAGLBSA-N	273.340	1.873	10	20	CDCD	
COC[C@@H](C)CC(=O)NCCc1ccc(O)c(O)c1	762263710	KUZAODYPDUDFHP-JTQLQIEISA-N	267.325	1.429	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@]1(F)CCOC1	1324098426	AQQHBJIALDNAGV-OTYXRUKQSA-N	283.299	1.274	10	20	CDCD	
C[C@@H]1C[C@@H](N)CN1C(=O)NCc1ccc(N(C)C)cc1	1334160805	HEVGGSPDSVKFDP-DGCLKSJQSA-N	276.384	1.384	10	20	CDCD	
CN(C)c1ccc(CN[C@@H](Cc2cc[nH]n2)C(=O)O)cc1	1335616056	MVXDSVIWXPIIBW-AWEZNQCLSA-N	288.351	1.261	10	20	CDCD	
COc1ccc(CN[C@@H]2CCN(C3CC3)C2)c(O)c1OC	1334167132	CFABEXFEULUAAS-GFCCVEGCSA-N	292.379	1.736	10	20	CDCD	
CC(C)N1CCC(NC(=O)NCc2ccc(N)cc2)CC1	1335327251	KBLNLGCRSBZKTN-UHFFFAOYSA-N	290.411	1.941	10	20	CDCD	
COC(=O)CCCNC(=O)NCc1ccc(N)cc1	1356546601	AYHXENMORBVNGC-UHFFFAOYSA-N	265.313	1.021	10	20	CDCD	
C[C@@H](NC(=O)Cc1ccc(N)cc1)C1CCOCC1	226371557	AYBNLYUKVJETIY-LLVKDONJSA-N	262.353	1.743	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)c1csc(C(=O)O)n1	1601540314	UETSCQKQBPDWBT-UHFFFAOYSA-N	294.288	1.183	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NCC1(C(=O)O)CC1	1601238988	QBLORONVGMWTLN-DUXPYHPUSA-N	277.276	1.092	10	20	CDCD	
CCOc1cccc(CNC2(CO)CCOCC2)c1O	227213965	HTDWLCUNBZCZOJ-UHFFFAOYSA-N	281.352	1.422	10	20	CDCD	
C[C@@H](N[C@H](C)c1cc(C(=O)O)ccc1O)c1ncn(C)n1	1593198216	OFTYPZPOABBOFA-RKDXNWHRSA-N	290.323	1.631	10	20	CDCD	
CCOc1ccc(O)c(CN(CCOC)CCOC)c1	158229680	XSBYJCZYYQRBSV-UHFFFAOYSA-N	283.368	1.886	10	20	CDCD	
CN1CCCc2cc(CNC(=O)[C@@H]3CCCNC3)ccc21	166473042	KEPBDDDHRILGPH-OAHLLOKOSA-N	287.407	1.685	10	20	CDCD	
COCCOCC(=O)NCc1c(O)ccc2c1CCCC2	156339855	ZGSWCJCIACRQNG-UHFFFAOYSA-N	293.363	1.550	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)[C@H]1CC1(Cl)Cl	156669580	FEOCAOZVJABTCV-MRVPVSSYSA-N	290.146	1.950	10	20	CDCD	
CC(C)N(CCS(C)(=O)=O)C(=O)Cc1ccc(N)cc1	843490265	HQYMGJFKZKQLAT-UHFFFAOYSA-N	298.408	1.093	10	20	CDCD	
CCN1CCC[C@H]1CNCc1cccc(OC)c1O	19960074	YUVCBDQMOKMXPO-ZDUSSCGKSA-N	264.369	1.975	10	20	CDCD	
CNC(=O)C[C@H](C)NCc1ccc2c(c1)CCCN2C	269002692	LYEGADUUXLIYQH-LBPRGKRZSA-N	275.396	1.683	10	20	CDCD	
COc1cccc(CN2CCOC[C@@H](C)C2)c1O	370051020	BDEJJYYALXPOTO-NSHDSACASA-N	251.326	1.869	10	20	CDCD	
CC[C@@]1(NCc2cc3c(cc2O)OCO3)CCOC1	378803819	VQFSOWKBJSOTFK-CQSZACIVSA-N	265.309	1.780	10	20	CDCD	
Cc1nnc(CN[C@H](C)c2ccc(F)cc2O)n1C	393157184	RQUDNSBAOAPALL-MRVPVSSYSA-N	264.304	1.819	10	20	CDCD	
O=C(NCc1ccccc1O)C1(Br)CC1	821060852	LTKYNCGCJCINLH-UHFFFAOYSA-N	270.126	1.936	10	20	CDCD	
O=C(NC[C@@H]1CSCCS1)c1cccc(O)c1O	126552283	UAJVHLQAPNFGJG-MRVPVSSYSA-N	285.390	1.676	10	20	CDCD	
COCCC1(C(=O)NCCc2ccc(O)c(O)c2)CCC1	122779839	AKOLLXFAANRLDY-UHFFFAOYSA-N	293.363	1.963	10	20	CDCD	
NC(=O)c1cccc(CNC(=O)Cc2ccc(N)cc2)c1	40832056	ICAMYOHFBYSTLF-UHFFFAOYSA-N	283.331	1.227	10	20	CDCD	
C[C@@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)n1cncn1	45883441	BVUOVZFUJGQMFG-LBPRGKRZSA-N	287.367	1.564	10	20	CDCD	
COCCN1CC[C@@H](N[C@@H]2CCc3cccc(O)c32)C1	297933714	XTNNISBDQUVVSW-ZIAGYGMSSA-N	276.380	1.690	10	20	CDCD	
COc1cc(O)c(CN2CC[C@H](OC)C2)cc1OC	271118845	XDRZLHMCLNJUQU-NSHDSACASA-N	267.325	1.630	10	20	CDCD	
C[C@H](CCO)CN[C@H](C)c1cc([N+](=O)[O-])ccc1O	273601716	SATVHAFKQWMBSM-NXEZZACHSA-N	268.313	1.970	10	20	CDCD	
COc1cc(Cl)cc([C@H]2NC(=O)CN2C)c1O	273456399	DQYSCYXVGUYJAH-NSHDSACASA-N	256.689	1.114	10	20	CDCD	
CO[C@H](C(=O)NCc1ccc(N(C)C)cc1)C1CC1	279731155	NRNVKPQUYSTNFT-AWEZNQCLSA-N	262.353	1.794	10	20	CDCD	
CN(C)c1ccc(CNC(=O)C2(C)COC2)cc1F	272763602	QWXKPNXSKNQCKL-UHFFFAOYSA-N	266.316	1.544	10	20	CDCD	
COc1cc(O)c(CN(C)C[C@@H](C)OC)cc1OC	284977033	BOGQWIRGDJAMSB-SNVBAGLBSA-N	269.341	1.876	10	20	CDCD	
COC(=O)[C@@H](C)N(C)Cc1cc2c(cc1O)OCO2	280765077	FSTBPZNUNWVXPW-MRVPVSSYSA-N	267.281	1.114	10	20	CDCD	
CC(=O)C(=O)COC(=O)Cc1coc2cc(C)ccc12	808489810	FINIHRLRQYXHPV-UHFFFAOYSA-N	274.272	1.985	10	20	CDCD	
CC(=O)C1(C(=O)NCc2ccc(N(C)C)cc2)CC1	292791623	NKSCJGAGQNZWQI-UHFFFAOYSA-N	260.337	1.738	10	20	CDCD	
COc1ccc(N2CCN(C(=O)[C@@H](O)C(C)C)CC2)cc1	291468774	OVEJHZVMDTZHFW-HNNXBMFYSA-N	292.379	1.361	10	20	CDCD	
COc1ccc(CNC(=O)NCC2=CCCOC2)c(O)c1	807592502	DNDMOPDPOKBULL-UHFFFAOYSA-N	292.335	1.547	10	20	CDCD	
CCn1nc(C)c(CNC(=O)c2ccc(C)c(O)c2O)n1	819598425	OFOBTMXKXDRDMT-UHFFFAOYSA-N	290.323	1.256	10	20	CDCD	
O=C(N[C@@H]1CCCSC1)c1c(F)ccc(O)c1O	826652394	CTCQUUCHOQDTEB-SSDOTTSWSA-N	271.313	1.862	10	20	CDCD	
COc1cc(CN2CC[C@@H](C(=O)O)C2)c(O)cc1C	820763985	QFDKOPPHSSEHAP-SNVBAGLBSA-N	265.309	1.616	10	20	CDCD	
CN(Cc1ccc(N(C)C)c(F)c1)C[C@@H]1COCCO1	827141795	XZYLLNJORIMDQX-CYBMUJFWSA-N	282.359	1.739	10	20	CDCD	
CCO[C@H]1CCN(C(=O)c2c(F)ccc(O)c2O)C1	900715520	CXFYVTKLVHFNEY-QMMMGPOBSA-N	269.272	1.488	10	20	CDCD	
CN1CCCc2cc(CNC(=O)[C@H]3C[C@@H]3C(=O)O)ccc21	737519614	ZJJLYFVDZVUEIO-STQMWFEESA-N	288.347	1.406	10	20	CDCD	
CN(C)c1ccc(CN[C@@H](CO)[C@@H]2CCCOC2)cc1	839648756	DFLAXITWLZFKGM-ZBFHGGJFSA-N	278.396	1.630	10	20	CDCD	
NC(=O)CCC(=O)NCc1c(O)ccc2c1CCCC2	907061855	YHPMCHLENMEJAW-UHFFFAOYSA-N	276.336	1.153	10	20	CDCD	
CC[C@H](N)CNC(=O)NCc1ccc(N2CCCC2)cc1	841709116	CAIQOTRKTYWQED-AWEZNQCLSA-N	290.411	1.823	10	20	CDCD	
CC[C@H]1CN(C)CCN1Cc1cc2c(cc1O)OC[C@@H]2O	840092921	YZPVLGIVBPNFOX-WFASDCNBSA-N	292.379	1.344	10	20	CDCD	
C[C@H](N[C@@H](CO)CCF)c1cc([N+](=O)[O-])ccc1O	846210377	ZKGMJVANNKWIMI-DTWKUNHWSA-N	272.276	1.672	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)CCCCNC(N)=O	917309277	KZQLYZXPVVZDEU-UHFFFAOYSA-N	279.340	1.189	10	20	CDCD	
Nc1ccc(CCNC(=O)COC(F)(F)F)cc1	911783508	VRKRFVAUNGOYCY-UHFFFAOYSA-N	262.231	1.464	10	20	CDCD	
CC(C)(C)C(=O)NCCC(=O)NCc1ccc(O)cc1O	910951360	GFXLUOSGTJMEHV-UHFFFAOYSA-N	294.351	1.266	10	20	CDCD	
C[C@@H](CNC(=O)Nc1ccc(N)cc1)Cn1cccn1	841301403	NSSIIVCRRJCJRA-NSHDSACASA-N	273.340	1.923	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@@H](C)CN)c1	841981580	AXPOVMVRPFMUEA-IUCAKERBSA-N	267.329	1.108	10	20	CDCD	
COc1cc(Br)cc(CN[C@@H](C)CN)c1O	841063113	GYJZIPWTAMJDRY-ZETCQYMHSA-N	289.173	1.600	10	20	CDCD	
COc1cccc([C@@H](C)NC[C@]2(O)CCN(C)C2)c1O	846166570	ZLBIPFJYUNHNGO-IAQYHMDHSA-N	280.368	1.118	10	20	CDCD	
CCc1cccc(CN2CCC[C@H](S(N)(=O)=O)C2)c1O	848903517	VDADJXZTWUVVJZ-ZDUSSCGKSA-N	298.408	1.208	10	20	CDCD	
COc1ccc(N(C)CCN2C(=O)NC(C)(C)C2=O)cc1	844353271	KADMBTOVVMPYST-UHFFFAOYSA-N	291.351	1.462	10	20	CDCD	
COc1ccc(CNC(=O)N[C@H]2CC2(C)C)c(O)c1	840408656	JJNDNNKGZQRUEA-LBPRGKRZSA-N	264.325	1.999	10	20	CDCD	
CCOc1ccc(O)c(CN(C)C2CC(N)C2)c1	843125027	LLDKUFUFSQOPSG-UHFFFAOYSA-N	250.342	1.712	10	20	CDCD	
CC[C@H](C)NC(=O)[C@@H](C)NC(=O)Nc1ccc(N)cc1	841301764	YJUXKWUEOVUTQO-VHSXEESVSA-N	278.356	1.694	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)N[C@@H]2CCOC2)c1	756769275	PIRZZFGTSMTXDM-MWLCHTKSSA-N	265.309	1.618	10	20	CDCD	
Cc1cc(C(=O)N[C@H]2C[C@H](O)C2)c(C)n1-c1ccccn1	856393679	WAPPYPAUGHTQPK-JOCQHMNTSA-N	285.347	1.742	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NCCc2ccnn2C)c1	858363541	WLZJBNJNLSVFEE-UHFFFAOYSA-N	288.351	1.476	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@H]2NCCC2(C)C)cc1F	852864130	XCOUEDRFZOPABN-CQSZACIVSA-N	293.386	1.896	10	20	CDCD	
CN(C)CCCS(=O)(=O)NCc1ccc(N(C)C)cc1	866424734	LERZQTBELXAUIP-UHFFFAOYSA-N	299.440	1.124	10	20	CDCD	
O=C(NCc1ccccc1O)C1(F)CCOCC1	866756655	ZNKQTSAEFKBSKU-UHFFFAOYSA-N	253.273	1.527	10	20	CDCD	
Cc1ccc(O)c(CN(C)[C@]2(CO)CCOC2)c1	862427006	SJRNAVWZSPPDFQ-AWEZNQCLSA-N	251.326	1.284	10	20	CDCD	
CC(C)C(=O)NCCNC(=O)N[C@H](C)c1ccccc1O	868015653	BMXNUDZUFFAAMS-LLVKDONJSA-N	293.367	1.525	10	20	CDCD	
Cc1cc(C(=O)N2C[C@H](C)[C@@H](O)C2)c(C)n1-c1ccccn1	768823928	BWWXYGYWBAFLRW-NHYWBVRUSA-N	299.374	1.942	10	20	CDCD	
Cc1cc(O)c(CN(C)[C@@]2(CO)CCOC2)cc1Cl	862428974	YRGODLCFOTUEAD-CQSZACIVSA-N	285.771	1.937	10	20	CDCD	
C[C@@H](N[C@@H](CO)CC(F)F)c1cc([N+](=O)[O-])ccc1O	760041242	XIETWLFTAWTHJL-HTQZYQBOSA-N	290.266	1.967	10	20	CDCD	
Cc1cc(C(=O)N2C[C@H](C)[C@H](O)C2)c(C)n1-c1ccccn1	768823931	BWWXYGYWBAFLRW-XHDPSFHLSA-N	299.374	1.942	10	20	CDCD	
C[C@@H](C(=O)N(C)c1ccc(N)cc1)c1cnn(C)c1	877077484	KBWVJNYWDXJXBJ-SNVBAGLBSA-N	258.325	1.769	10	20	CDCD	
C[C@H](O)C[C@H](C)NCc1ccc(N2CCC(O)CC2)cc1	877196027	RLCCNOMIZTWBGD-KBPBESRZSA-N	292.423	1.897	10	20	CDCD	
O=C(OCCOCC(F)(F)F)c1cccc(O)c1O	776280530	SYOFEHTXMQOLNO-UHFFFAOYSA-N	280.198	1.834	10	20	CDCD	
OCCCNCc1ccc(N2CCC(O)CC2)cc1	76275569	XUXOJZNSWKGTGX-UHFFFAOYSA-N	264.369	1.120	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CC(OC(F)F)C1	781205079	BHDMAHDOWLBKRF-DUXPYHPUSA-N	285.246	1.561	10	20	CDCD	
C[C@@H]1C[C@H](O)CN1C(=O)/C=C/c1ccc(O)c(O)c1	788550712	SGPBAIJMICUMFA-FYGOAMBHSA-N	263.293	1.093	10	20	CDCD	
COC(=O)[C@@](C)(CO)NCc1cc(Cl)ccc1O	894974110	AYFHPHCPQNOORC-GFCCVEGCSA-N	273.716	1.059	10	20	CDCD	
COc1ccc(CNC(=O)c2cnc(C)[nH]2)c(O)c1	794380425	CNEHPHFMLRBQFL-UHFFFAOYSA-N	261.281	1.362	10	20	CDCD	
CCc1cccc(CNCCCS(C)(=O)=O)c1O	691496871	AUBXEPHRYOQHRP-UHFFFAOYSA-N	271.382	1.479	10	20	CDCD	
C[C@@H](NCc1ccc(N(C)C)cc1)c1cn(C)nn1	715833888	BDDXEKOXWIUPIN-LLVKDONJSA-N	259.357	1.732	10	20	CDCD	
CN[C@H](C)CCNC(=O)NCCc1ccc(N)cc1	1328724743	KLXNCKQPTCJHJZ-LLVKDONJSA-N	264.373	1.109	10	20	CDCD	
CN[C@@H]1CCCN(C(=O)NCc2ccc(N)cc2)C1	1336290044	GHJPBUFTITZILN-CYBMUJFWSA-N	262.357	1.162	10	20	CDCD	
COc1ccc(CNC2(CO)CCOCC2)c(O)c1OC	1335469235	XOILBWLBSNOFFA-UHFFFAOYSA-N	297.351	1.041	10	20	CDCD	
Nc1ccc(CNC(=O)N[C@H](CCO)C2CC2)cc1	1337017634	ADULTRMNSXBFMY-CYBMUJFWSA-N	263.341	1.229	10	20	CDCD	
COc1ccc(O)c(CN2CCN3C(=O)CC[C@H]3C2)c1	211560773	WHVJFTZDNLXSMX-LBPRGKRZSA-N	276.336	1.207	10	20	CDCD	
CO[C@@H](C1CC1)[C@H](C)NC(=O)NCc1ccc(N)cc1	1262582922	JRVJHGFAFZAJAI-IINYFYTJSA-N	277.368	1.882	10	20	CDCD	
CC(C)CN1CCC[C@@H]1C(=O)NCc1ccc(O)c(O)c1	1353618293	LNRUWIGVRBCCHJ-CYBMUJFWSA-N	292.379	1.834	10	20	CDCD	
Nc1ccc(CNC(=O)N[C@H]2CCc3n[nH]cc3C2)cc1	1353378488	PQNCLHDQWLDROW-ZDUSSCGKSA-N	285.351	1.349	10	20	CDCD	
CO[C@H]1CCC[C@H](C(=O)NCc2cccc(O)c2O)C1	1528771756	XBLBHWRCWZIRGB-JQWIXIFHSA-N	279.336	1.919	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC[C@H](C)C(=O)O)c1	1604821316	YBNYYZUWEJWXDP-IUCAKERBSA-N	253.298	1.772	10	20	CDCD	
C[C@](CC(=O)O)(NCc1cc2c(cc1O)OCO2)C1CC1	1604088876	BBCQEFGQVKPAQV-OAHLLOKOSA-N	293.319	1.854	10	20	CDCD	
Cn1nccc1[C@H](NCc1ccccc1O)C(=O)O	1610615997	PPDFLZQRRXWQGF-LBPRGKRZSA-N	261.281	1.041	10	20	CDCD	
O=C(N[C@@H]1CCO[C@H]1C1CC1)c1cccc(O)c1O	229416892	REVMKEFHJHHDQJ-MFKMUULPSA-N	263.293	1.395	10	20	CDCD	
CCNS(=O)(=O)CCN[C@@H](C)c1cc(F)ccc1O	230666929	JDFPZTNZJRPTAK-VIFPVBQESA-N	290.360	1.121	10	20	CDCD	
CO[C@@H](CN)CC(=O)N(C)Cc1ccc(N(C)C)cc1	232115529	WZGVWPWINCBZFB-CQSZACIVSA-N	279.384	1.075	10	20	CDCD	
COC[C@H](CSc1ncc(C(=O)O)s1)OC	1599164375	HYVNTCCSVISFGI-ZCFIWIBFSA-N	263.340	1.595	10	20	CDCD	
CN(C)c1ccc(CN2CCCC[C@@H]2C(N)=O)cc1F	162023490	FECQIONVXGJVEL-CQSZACIVSA-N	279.359	1.732	10	20	CDCD	
COC[C@@](C)(CO)NCc1ccc2c(c1)CCCO2	921818502	ORYSVIRTIQTFLC-OAHLLOKOSA-N	265.353	1.499	10	20	CDCD	
CN(C)c1ccc(CNC[C@@H]2CCCS2(=O)=O)cc1	126954623	JSISKTCREOIPHL-AWEZNQCLSA-N	282.409	1.419	10	20	CDCD	
C[C@H]1CCN(C(=O)Cc2ccc(N)cc2)C[C@H]1CN	841857984	XMKUIMGQSTUBFJ-WCQYABFASA-N	261.369	1.255	10	20	CDCD	
CCOc1ccccc1NC[C@H](O)Cn1cccn1	37875008	UPSUSMHAPMBSBA-LBPRGKRZSA-N	261.325	1.755	10	20	CDCD	
CCN(CC)c1ccc(CN[C@@H]2CC(=O)N(C)C2)cc1	263774881	UHKJVYCQXWCNFY-CQSZACIVSA-N	275.396	1.853	10	20	CDCD	
CC(C)[C@@H](NCc1cc2c(cc1O)OCO2)C(=O)O	43431599	UJZKWMLXSXHLNG-GFCCVEGCSA-N	267.281	1.320	10	20	CDCD	
COc1ccc(O)c([C@H](C)NCc2noc(C)n2)c1	182366270	JUUBYQUBEBLDQB-QMMMGPOBSA-N	263.297	1.943	10	20	CDCD	
CC[C@H](N[C@@H]1COCC[C@H]1O)c1ccccc1O	710878888	OFBVVFMKTFNWAU-OUCADQQQSA-N	251.326	1.583	10	20	CDCD	
C[C@@H]1[C@H](NCc2ccc3c(c2)CCO3)CCS1(=O)=O	382014926	NWYZMGSFOOQGBP-ZWNOBZJWSA-N	281.377	1.287	10	20	CDCD	
CC(C)[C@H](CO)CNCc1cc2c(cc1O)OCO2	394031825	LEXDZJOXPRWJQS-NSHDSACASA-N	267.325	1.475	10	20	CDCD	
CCNS(=O)(=O)N(C)Cc1ccc(N(C)C)cc1	171951165	FCGPJUCXVIMHGS-UHFFFAOYSA-N	271.386	1.039	10	20	CDCD	
CCN(CC)c1ccc(CN2CCN(C)C(=O)C2)cc1	127407530	SADOGRCTIXXBRC-UHFFFAOYSA-N	275.396	1.807	10	20	CDCD	
CN(CC(=O)NC[C@H]1CCCO1)c1ccc2c(c1)OCO2	121279857	RUQWNTPLNUTMSM-GFCCVEGCSA-N	292.335	1.147	10	20	CDCD	
Cc1c(NC(=O)/C=C/c2ccc(O)c(O)c2)cnn1C	181185660	XKNJQOZEOJJGIM-GQCTYLIASA-N	273.292	1.792	10	20	CDCD	
O=C(N[C@@H]1c2ccccc2C[C@@H]1O)c1cccc(O)c1O	126614976	ACTFQBSOWMJVBM-UONOGXRCSA-N	285.299	1.486	10	20	CDCD	
COc1cc(C)cc(CN(C)[C@H]2CCS(=O)(=O)C2)c1O	122440718	GLFHIBDNNUAJGX-LBPRGKRZSA-N	299.392	1.328	10	20	CDCD	
COC(=O)COc1ccc(N(C)Cc2cnn(C)c2)cc1	183796766	SHFSTSDVGBIEQP-UHFFFAOYSA-N	289.335	1.608	10	20	CDCD	
CN(Cc1ccc(N2CCOCC2)cc1)Cc1ncccn1	191895636	LNQQILUGNWWLQX-UHFFFAOYSA-N	298.390	1.945	10	20	CDCD	
CC(=O)NCCCN[C@H](C)c1ccc(N(C)C)cc1	178513632	JPQUPTIZQIYLSI-GFCCVEGCSA-N	263.385	1.929	10	20	CDCD	
COC1(CNCc2cc(F)ccc2O)CCOCC1	180860580	YJJWBSXYGYIGBN-UHFFFAOYSA-N	269.316	1.817	10	20	CDCD	
C[C@H]1CN(Cc2cc(F)ccc2O)C[C@@H]1C(=O)O	235639549	PDCGDVZBSNJZLW-KWQFWETISA-N	253.273	1.684	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC[C@@H](O)c2cnn(C)c2)c1	273460906	CQWVZAXEUSOEDU-MEBBXXQBSA-N	291.351	1.519	10	20	CDCD	
CCC(O)(CC)CNCc1ccc([N+](=O)[O-])c(OC)c1O	278627396	GLWLGNCUIWTHTJ-UHFFFAOYSA-N	298.339	1.950	10	20	CDCD	
CC(C)(O)C(=O)NCc1cccc(Br)c1O	277628469	WYMUVCCRSVPTQY-UHFFFAOYSA-N	288.141	1.542	10	20	CDCD	
CC[C@H](NCCS(C)(=O)=O)c1ccc(C)cc1O	279983209	DTRKKJBNTGPDGU-LBPRGKRZSA-N	271.382	1.786	10	20	CDCD	
CC[C@H](NC[C@H]1CNCCO1)c1ccc(C)cc1O	817982025	AYYXMGCPRCECNB-OCCSQVGLSA-N	264.369	1.730	10	20	CDCD	
COC(=O)C1(C)CN(C(=O)/C=C/c2ccc(O)c(O)c2)C1	819761123	UMAGRTKQFVUZLN-GQCTYLIASA-N	291.303	1.133	10	20	CDCD	
CC(C)(O)CCN1C(=O)CN(Cc2ccccc2O)C1=O	819169227	YVDHGOXPKYNHNH-UHFFFAOYSA-N	292.335	1.317	10	20	CDCD	
CCOC(=O)NCC(=O)N[C@H](C)c1ccccc1O	827923488	RXICBMCAVMAOOC-SECBINFHSA-N	266.297	1.316	10	20	CDCD	
C[C@@H](NCC(=O)O)c1ccc(N2CCOCC2)cc1	820142442	VCBCMWREDGPBMI-LLVKDONJSA-N	264.325	1.258	10	20	CDCD	
O=C(COC(=O)[C@@H]1CC1(F)F)c1ccc(O)c(O)c1	837982102	MMLOCMJTDDVHFX-ZETCQYMHSA-N	272.203	1.479	10	20	CDCD	
CNCCc1ccccc1C(=O)N(C)c1cc(CN)ccn1	906230297	SGAKQVDKTPHZJZ-UHFFFAOYSA-N	298.390	1.579	10	20	CDCD	
Cc1ccc(O)c(CN[C@@H]2C[C@@H]3CCCCN3C2=O)c1	835071942	AGLJCRDYRVIQOQ-UONOGXRCSA-N	274.364	1.944	10	20	CDCD	
C=CC(=O)N(CC)CC(=O)NCc1cc(Cl)ccc1O	911899448	WRAIXUNHAMYCFX-UHFFFAOYSA-N	296.754	1.696	10	20	CDCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCCN	841922020	WCBRUGMOIHLGNT-UHFFFAOYSA-N	290.411	1.777	10	20	CDCD	
CC(=O)NCCN(C)Cc1cc(C)c(C)cc1O	842632337	JWNNLSLDLIBILV-UHFFFAOYSA-N	250.342	1.577	10	20	CDCD	
CN1CCN(CCCN(C)C(=O)c2cc(O)cs2)CC1	743487339	CCPHZFKTTNAWGG-UHFFFAOYSA-N	297.424	1.163	10	20	CDCD	
Cc1ccc(O)c(CN2CCNC[C@@H]2c2nccn2C)c1	843121346	FCYMLMNCTXECPT-CQSZACIVSA-N	286.379	1.581	10	20	CDCD	
CO[C@@H](CC(C)C)C(=O)OCC(=O)c1ccc(O)c(O)c1	842112231	DCJIQXQSZSQTEU-AWEZNQCLSA-N	296.319	1.885	10	20	CDCD	
CC(C)(C)C(=O)NCCCC(=O)NCc1ccccc1O	748346614	PNYWBFIEOQLPDS-UHFFFAOYSA-N	292.379	1.951	10	20	CDCD	
COc1ccc(O)c(CN[C@H]2CCN[C@H](C)C2)c1	841061002	DCBZUXOBTNQBDY-PWSUYJOCSA-N	250.342	1.631	10	20	CDCD	
O=C(O)/C=C/c1ccc(N2CCC[C@H](O)C2)c([N+](=O)[O-])c1	844211125	HFBYOXOORXCQCQ-MALLOTDXSA-N	292.291	1.654	10	20	CDCD	
C[C@H](N)[C@@H]1CN(Cc2cccc(F)c2O)CCO1	843056797	AFCRYVZFFSENJO-CABZTGNLSA-N	254.305	1.079	10	20	CDCD	
O=C1CN(Cc2ccccc2O)C(=O)N1OCC1CCC1	849364394	WFMWHGYSJVZJND-UHFFFAOYSA-N	290.319	1.888	10	20	CDCD	
Nc1ccc(CCN[C@@H]2[C@@H]3C[C@@H]4[C@@H]2NC[C@@H]4C3)cc1	925690121	FEUUPGQEUXOCFD-AMSCCUFHSA-N	257.381	1.397	10	20	CDCD	
Nc1ccc(NC(=O)C(=O)N2CC[C@@H]3C[C@H]3C2)cc1	850851008	LOWKCCXRXMYMFI-ZJUUUORDSA-N	259.309	1.076	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)N[C@@H](C)c2nncn2C)c1	858204605	PCQBSTFGIHKIPA-JTQLQIEISA-N	289.339	1.390	10	20	CDCD	
COc1cccc(O)c1CN1CC[C@H](C)S(=O)(=O)CC1	763625555	JANAYSJXIFTMRE-NSHDSACASA-N	299.392	1.410	10	20	CDCD	
C[C@H](N)CCNC(=O)N[C@H](C)c1ccccc1O	1119478547	ZICMTJPDLBUNBV-VHSXEESVSA-N	251.330	1.490	10	20	CDCD	
CSC[C@@H](CCO)NCc1c(C)cccc1O	877050784	DSDHJVGRSIIPPJ-LLVKDONJSA-N	255.383	1.904	10	20	CDCD	
CN(C)c1ccc(CN(C)C(=O)[C@H]2C[C@@H](O)C2)cc1	873860832	ZJQPRWPKJJXWOP-XBXGTLAGSA-N	262.353	1.482	10	20	CDCD	
CCOc1ccc(CN2CCC[C@@H](CO)C2)c(O)c1	771929219	VDFBZPFIZPOULA-GFCCVEGCSA-N	265.353	1.995	10	20	CDCD	
CC[C@@](C)(CO)NCc1ccc(N2CCC(O)CC2)cc1	877143697	WILFGRDIAMUCAU-KRWDZBQOSA-N	292.423	1.898	10	20	CDCD	
Nc1ccc(NC(=O)[C@]2(C3CCCC3)CCNC2=O)cc1	876503686	CUMHGFHUTUYFLW-INIZCTEOSA-N	287.363	1.904	10	20	CDCD	
COc1ccc(N2CCN(C[C@H](C)OC)CC2)c(OC)c1	877708846	XRFQEVSCFJQLIY-ZDUSSCGKSA-N	294.395	1.861	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@]2(C)CCCOC2)c1	781350961	NZSUGMLNPHYWNG-OAHLLOKOSA-N	279.336	1.834	10	20	CDCD	
COc1cc(C)cc(CN2CCC(CO)(CO)CC2)c1O	895475226	UMRWASVWXDCHAF-UHFFFAOYSA-N	295.379	1.276	10	20	CDCD	
C[C@@H]1C[C@H](C(=O)NCc2ccc(N(C)C)cc2)CO1	784029713	FRUDOQGIULWECY-YPMHNXCESA-N	262.353	1.794	10	20	CDCD	
COc1ccc(CN2C[C@@H]3CN(C)C[C@@H]3C2)c(O)c1OC	894084534	UOHNRPDPPOOTIK-BETUJISGSA-N	292.379	1.403	10	20	CDCD	
COc1ccc(CN2CC(=O)N(C)C[C@H]2C)c(O)c1OC	893884949	ILQBSJCFKFDIPL-SNVBAGLBSA-N	294.351	1.072	10	20	CDCD	
CC[C@H](CO)N(C)Cc1ccc(OC)c(OC)c1O	894664651	WVJKALXPZFQTDD-LLVKDONJSA-N	269.341	1.612	10	20	CDCD	
CC[C@@H]1CN(C(=O)c2cccc(O)c2O)C[C@@H](C)O1	193063063	QRWKVVRUYLIGCD-NXEZZACHSA-N	265.309	1.737	10	20	CDCD	
Cn1cc(/C=C/C(=O)N2CCCc3n[nH]cc32)cn1	790070993	QBOUMUBZKUCSMW-SNAWJCMRSA-N	257.297	1.136	10	20	CDCD	
COC[C@H]1CN(Cc2cccc(OC)c2O)CCO1	93529113	YXMHNHNTWICQJS-GFCCVEGCSA-N	267.325	1.248	10	20	CDCD	
N=C1Nc2nc3ccccc3n2[C@@H](c2cc(O)ccc2O)N1	1317910485	RFUFEUNTSMMCPH-ZDUSSCGKSA-N	295.302	1.944	10	20	CDCD	
NCC1(O)CCN(Cc2ccc(N3CCCC3)cc2)CC1	1328680882	HRMQRNGQQPACHZ-UHFFFAOYSA-N	289.423	1.572	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CC=CCC1	1323591302	VYLYBNYHXZCPED-CYBMUJFWSA-N	288.347	1.576	10	20	CDCD	
C[C@H]1CN(Cc2ccc(N3CCCC3)cc2)C[C@H](CO)O1	1320642709	GQVMYZDYFJBWIH-WMLDXEAASA-N	290.407	1.868	10	20	CDCD	
C[C@@H]1CNC[C@H]1CNC(=O)N[C@H](C)c1ccccc1O	1336164062	SELSQELLWALYPO-UTUOFQBUSA-N	277.368	1.608	10	20	CDCD	
CO[C@H](C)[C@H](NCc1cc(F)cc(F)c1O)C(=O)O	1334407459	MWNLONSUSCJADW-LDWIPMOCSA-N	275.251	1.248	10	20	CDCD	
Nc1ccc(NC(=O)N2CCC3(CC2)CNC(=O)O3)cc1	1332413331	UBDWIBAEKYVLHO-UHFFFAOYSA-N	290.323	1.375	10	20	CDCD	
C[C@@H](N)CC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	1345636164	CEKXUZMZYSOZGQ-IUODEOHRSA-N	292.427	1.209	10	20	CDCD	
Oc1cc2c(cc1CNCC1CCOCC1)OCO2	110904302	ZGUCLIVHBQLTFR-UHFFFAOYSA-N	265.309	1.637	10	20	CDCD	
CC[C@H](NC[C@]1(O)CCO[C@@H]1C)c1ccccc1O	228055280	HIVLFSLCHTXTNZ-OSAQELSMSA-N	265.353	1.973	10	20	CDCD	
C[C@H](NCCC(=O)NCCC(=O)O)c1ccc(F)cc1O	1593262632	UVOYGJCBGWXOAU-VIFPVBQESA-N	298.314	1.163	10	20	CDCD	
CCN1CCCc2cc(CNC[C@H](O)CC(=O)O)ccc21	1776875493	JTTOEZDPJSZQAX-CQSZACIVSA-N	292.379	1.384	10	20	CDCD	
COc1ccc(CNc2nc(C(=O)O)co2)c(O)c1	1777364782	YWIYQKYSMBCELS-UHFFFAOYSA-N	264.237	1.699	10	20	CDCD	
CN1CCCc2cc(CNC(=O)C[C@@H]3CCCN3)ccc21	166477850	IRWIFHNBQSGWQG-HNNXBMFYSA-N	287.407	1.827	10	20	CDCD	
CC(=O)N1CCC[C@@H](C(=O)NCCc2ccc(N)cc2)C1	152496865	BHIZESCENINAJJ-CQSZACIVSA-N	289.379	1.186	10	20	CDCD	
CCC[C@](C)(O)C(=O)NCc1cc(OC)ccc1O	159752215	GECIARARRSGYKE-AWEZNQCLSA-N	267.325	1.568	10	20	CDCD	
COC(=O)[C@H]1CCCCN1C(=O)c1cccc(O)c1O	126503387	KCIHWDJHMAQACL-SNVBAGLBSA-N	279.292	1.266	10	20	CDCD	
C[C@H](CNC(=O)c1cccc(O)c1O)N1CCCCC1	126360312	FORPPNGPDIISAD-LLVKDONJSA-N	278.352	1.702	10	20	CDCD	
O=S(=O)(CCNCc1cc(F)ccc1O)C1CC1	840965849	ONVHRQZMPUWQGN-UHFFFAOYSA-N	273.329	1.198	10	20	CDCD	
Cc1cccc(O)c1CNCCS(=O)(=O)C1CC1	877590656	CTYIVICLWRXWDX-UHFFFAOYSA-N	269.366	1.367	10	20	CDCD	
CN(C(=O)COC1CCOCC1)c1ccc(N)cc1	40992230	JVZMLZPXICMIPX-UHFFFAOYSA-N	264.325	1.427	10	20	CDCD	
CS(=O)(=O)C[C@H]1CCCN(Cc2ccccc2O)C1	293948662	OWASRELPVWNVJF-LBPRGKRZSA-N	283.393	1.649	10	20	CDCD	
COC1(CNCc2cc3c(cc2O)OCO3)CCC1	181082706	ZSUIBRGBXIARKP-UHFFFAOYSA-N	265.309	1.780	10	20	CDCD	
COc1cccc(CN2CCC(CCN)CC2)c1O	70183653	QDQKZNFWEDZCEY-UHFFFAOYSA-N	264.369	1.962	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2C[C@@H](O)C[C@@H](C)C2)c1O	401517915	AEGJGSOTXSRXNA-RNCFNFMXSA-N	281.327	1.937	10	20	CDCD	
CS(=O)(=O)[C@@H]1CCC[C@@H](NCc2ccccc2O)C1	77458051	QLPZILQWGLVOHX-CHWSQXEVSA-N	283.393	1.838	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CCCN2C)c1	104901009	RYONOWQHLZZYIR-ZWNOBZJWSA-N	278.352	1.672	10	20	CDCD	
CCOC(=O)c1cnc(Sc2ncnn2C)s1	310116889	UDEFKZIQEWSFHG-UHFFFAOYSA-N	270.339	1.600	10	20	CDCD	
C[C@@H](O)CN(Cc1ccccc1O)C[C@H]1CCCO1	248647326	IHIJWOLEYFPOIR-TZMCWYRMSA-N	265.353	1.754	10	20	CDCD	
COCCN(C)C(=O)NCc1ccc(N2CC=CC2)cc1	127947523	RBIAODYSCFYTBU-UHFFFAOYSA-N	289.379	1.851	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NC[C@H]2CC[C@@H](O)C2)cc1	189810522	BUBMPYGLQDTPOK-DZGCQCFKSA-N	291.395	1.713	10	20	CDCD	
COC(=O)COc1ccc(N(C)Cc2csnn2)cc1	183229311	WEXSBLNZKXHMNF-UHFFFAOYSA-N	293.348	1.726	10	20	CDCD	
CC(C)(C)n1cc(/C=C2/SC(=S)NC2=O)nn1	191207914	IUCMZDOADPVJJN-QPJJXVBHSA-N	268.367	1.522	10	20	CDCD	
Oc1cccc(Cl)c1CNC[C@H](O)CN1CCCC1	264978898	SYASACJRPXLLNU-NSHDSACASA-N	284.787	1.592	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CC[C@H]1CCOC1	274902314	GPXXXUQPTLIPJD-RYUDHWBXSA-N	293.363	1.962	10	20	CDCD	
C[C@@H](O)C[C@@H](C)CNC(=O)c1c(F)ccc(O)c1O	276612211	PPXWELIITDLLAY-HTQZYQBOSA-N	271.288	1.374	10	20	CDCD	
O=C(NO[C@@H]1CCCCO1)c1c(F)ccc(O)c1O	276577079	LCLJKQABRPQLNJ-SECBINFHSA-N	271.244	1.425	10	20	CDCD	
C[C@H]1OCC[C@@]12CN(Cc1cc(F)ccc1O)CCO2	377274166	WMDXVXKXJLEZRS-IAQYHMDHSA-N	281.327	1.911	10	20	CDCD	
CCOc1ccc(O)c(CN[C@@]2(C)CCOC2=O)c1	289887997	SKKCUGHFZXCACE-AWEZNQCLSA-N	265.309	1.586	10	20	CDCD	
COC(=O)[C@@H](C)N(C)Cc1cc(OC)c(OC)cc1O	280439054	CLQKCRPDBFCBCT-SECBINFHSA-N	283.324	1.403	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)[C@@H](CN)OC	290053503	UEHGLHIJPNZTON-CYBMUJFWSA-N	266.341	1.105	10	20	CDCD	
CCOc1ccc(N(CC)CC(=O)NC(=O)NC)cc1	299346394	AXJNOSPRSQNPQG-UHFFFAOYSA-N	279.340	1.367	10	20	CDCD	
O=C(NC[C@H]1CC[C@H](O)C1)c1c(F)ccc(O)c1O	295046639	AIALCIJLRBDEQM-YUMQZZPRSA-N	269.272	1.128	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@H](N)C2CCC2)c1	817996585	KLFCCUXCNHMEPU-LKFCYVNXSA-N	278.352	1.705	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)NCCC(=O)O)c1	818603264	AJTKYIQQVRDLQC-QMMMGPOBSA-N	282.296	1.236	10	20	CDCD	
CC[C@H](NCCN1CCNCC1)c1cccc(Cl)c1O	817944497	FBPIJJHFFVGGKH-AWEZNQCLSA-N	297.830	1.992	10	20	CDCD	
CC(C)C[C@H](CNC(=O)NCc1ccccc1O)C(=O)O	818624785	UWKPTPWNKDZQSM-GFCCVEGCSA-N	294.351	1.938	10	20	CDCD	
C[C@@H](NC(=O)CCc1ncccn1)c1ccccc1O	827946749	REXDLJKWWSMWGP-LLVKDONJSA-N	271.320	1.992	10	20	CDCD	
C[C@H]1CN(Cc2cc(Cl)ccc2O)C[C@@H](C)N1CCO	824926455	NYUGNFHHKNNXRW-TXEJJXNPSA-N	298.814	1.933	10	20	CDCD	
CCN1C[C@@H](N[C@H](C)c2cc(F)cc(F)c2O)CC1=O	834890729	PBBCAAICPHGWJP-SCZZXKLOSA-N	284.306	1.942	10	20	CDCD	
CC(C)[C@@H](CO)CNC(=O)c1c(F)ccc(O)c1O	832001915	XKBZVXMOMQEVSA-MRVPVSSYSA-N	271.288	1.231	10	20	CDCD	
COc1ccc(O)c(CNC(=O)COc2cccnc2)c1	734015647	SWDMTDAIHWFXIM-UHFFFAOYSA-N	288.303	1.491	10	20	CDCD	
O=C1[C@H](NCc2ccccc2O)C[C@H]2CCCCN12	835075696	ZOUIASPWPMMKFI-CHWSQXEVSA-N	260.337	1.635	10	20	CDCD	
O=C1CC[C@@H]2[C@H]1[C@@H]2C(=O)NCCCSc1nccs1	906669596	GLGMVZNARGFNRP-FBIMIBRVSA-N	296.417	1.967	10	20	CDCD	
C[C@@H]1CC[C@@H](CNCc2cc([N+](=O)[O-])ccc2O)O1	835086010	ASFNRTQCFVCWJC-SKDRFNHKSA-N	266.297	1.958	10	20	CDCD	
O=C(CNC(=O)c1cc(O)cs1)Nc1cccnc1	732282511	OURNPUYQMBJBBM-UHFFFAOYSA-N	277.305	1.217	10	20	CDCD	
CN(C(=O)c1cc(O)cs1)C1(C(N)=O)CCCC1	831224213	AZWRUSLGQIMEMK-UHFFFAOYSA-N	268.338	1.324	10	20	CDCD	
COc1cc(CN2C[C@H]3C[C@H]2C(=O)O3)c(O)cc1C	840107470	LFTRZPBHVSLHGS-MNOVXSKESA-N	263.293	1.209	10	20	CDCD	
CCc1cccc(CN2CC(=O)N(CC3CC3)C2)c1O	848906521	AFMBQXKHIBGLMJ-UHFFFAOYSA-N	274.364	1.966	10	20	CDCD	
CCNC(=O)C(C)(C)CNC(=O)c1cc(O)cs1	746301848	UGOGAKXSXBPMNR-UHFFFAOYSA-N	270.354	1.346	10	20	CDCD	
CCOc1ccc(CN2CC[C@H](N)[C@@H](C)C2)c(O)c1	843051094	DZPPKIPGOVQIJL-FZMZJTMJSA-N	264.369	1.960	10	20	CDCD	
O=C1C[C@@H](CNCc2ccc3c(c2)CCO3)CN1C1CC1	846075502	PLFZXYKSMNSIQF-ZDUSSCGKSA-N	286.375	1.722	10	20	CDCD	
CN1CC[C@H](c2nc(Cc3ccc(N)cc3)no2)C1	843159014	KPPOEZHOKYZULP-NSHDSACASA-N	258.325	1.662	10	20	CDCD	
Cc1ncc2n1C[C@H](C(=O)Nc1ccc(N)cc1)CC2	911661493	VPQSAQHAQBKKHO-LLVKDONJSA-N	270.336	1.975	10	20	CDCD	
CCN(CC)c1ccc(CN[C@H](COC)C(=O)O)cc1F	841812698	PJZPXZANQCMOFQ-CYBMUJFWSA-N	298.358	1.861	10	20	CDCD	
COC[C@@H](O)CN[C@@H](C)c1ccc(Cl)cc1O	841754051	YRGXKLMDVNBFBB-WPRPVWTQSA-N	259.733	1.704	10	20	CDCD	
CC[C@@H](C(=O)O)N(C)Cc1cc(OC)c(OC)cc1O	844937154	MDNUDGADPYYTML-JTQLQIEISA-N	283.324	1.704	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)[C@H]2C[C@@H](N)C2)cc1	844173321	UQSZMPJPCGEDQD-OKILXGFUSA-N	275.396	1.886	10	20	CDCD	
Cc1ccc(O)c(CN2C[C@H](CN)C3(CCOCC3)C2)c1	843125043	MBFOLMYLNZHUAS-HNNXBMFYSA-N	290.407	1.888	10	20	CDCD	
C[C@@H]1CN(Cc2cc3c(cc2O)CCCC3)CC(=O)N1	840131764	DIRBYQOEQGJYIS-LLVKDONJSA-N	274.364	1.591	10	20	CDCD	
NCC[C@H](NCc1cc2c(cc1O)OCO2)C(F)(F)F	841090483	IQLSVSVUCTVUNZ-NSHDSACASA-N	292.257	1.490	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc[n+]1[O-]	753642804	FSTNYSWZSFUXRP-SNVBAGLBSA-N	288.303	1.092	10	20	CDCD	
C[C@H]1C(=O)NCCN1Cc1cc(F)c(N(C)C)cc1F	862237020	UPPJKSRCZYNIGC-VIFPVBQESA-N	283.322	1.351	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1csnn1	935946723	NUZGQGRAKAEYMA-UHFFFAOYSA-N	284.337	1.659	10	20	CDCD	
C[C@@H](N[C@@H]1COC[C@@H]1O)c1cc2c(cc1O)CCCC2	866420003	LQTDIGAFYZLPFZ-HQQWDMGQSA-N	277.364	1.681	10	20	CDCD	
COc1ccc(N(C)CCOC(=O)N(C)C)cc1OC	1116661835	KLIXDPDDOLISKL-UHFFFAOYSA-N	282.340	1.838	10	20	CDCD	
O=C(O)[C@H]1C[C@@H](NCc2ccc(N3CCOCC3)cc2)C1	874046646	GSJIHOOBSOEFBD-OKILXGFUSA-N	290.363	1.476	10	20	CDCD	
CCOCCNC(=O)CN[C@H](C)c1ccccc1O	879648165	ARSZOZREJOEVJR-LLVKDONJSA-N	266.341	1.196	10	20	CDCD	
CCC(=O)N[C@H](C)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	773760893	MOIOHQVOQUSYCL-VHSXEESVSA-N	294.351	1.060	10	20	CDCD	
Nc1ccc(OCc2cn(CC3CCOCC3)nn2)cc1	881218175	KLKFTMNFOTXGCL-UHFFFAOYSA-N	288.351	1.866	10	20	CDCD	
CNC[C@H]1CCCN(C(=O)NCc2ccc(N)cc2)C1	1120676898	FYXMFTKZCZDDHV-CYBMUJFWSA-N	276.384	1.410	10	20	CDCD	
CCN(CC)c1ccc(CN[C@@H](C(=O)O)[C@H](C)O)cc1	75423925	AAYLZRNFNFXTEJ-SMDDNHRTSA-N	280.368	1.456	10	20	CDCD	
C[C@@H]1CCN(Cc2cc(F)cc(F)c2O)[C@H]1CO	894535240	XSCGLRUSTLZYDO-PELKAZGASA-N	257.280	1.873	10	20	CDCD	
CC1(C)CNC(=O)[C@@H]1NCc1cc(F)ccc1O	895317504	WRMHTDCFSDEWEM-NSHDSACASA-N	252.289	1.146	10	20	CDCD	
COc1cccc(CNC[C@@H]2CC(C)=NO2)c1O	895312049	STSGCIRJFAGCKU-NSHDSACASA-N	250.298	1.655	10	20	CDCD	
CCO[C@@H]1C[C@@H](NCc2cccc(C)c2O)[C@@H]1OC	274847457	AIXZQKBFTZGVBO-NFAWXSAZSA-N	265.353	1.983	10	20	CDCD	
COc1cc(C)cc(CN2CC[C@@H]([C@@H](C)O)C2)c1O	894432253	XQXBCDDYAPJIKY-VXGBXAGGSA-N	265.353	1.912	10	20	CDCD	
C[C@H](NCCS(=O)(=O)N1CCCC1)c1ccccc1O	721875413	VRQCVAIAOVMOJH-LBPRGKRZSA-N	298.408	1.468	10	20	CDCD	
COc1ccc(O)c(CNCCCCS(C)(=O)=O)c1	692844962	BBNAUCTYFBTJGF-UHFFFAOYSA-N	287.381	1.315	10	20	CDCD	
COC(=O)N(C)CC(=O)Nc1c(Cl)ccc2nonc12	1326698206	LNOMOTNCFJRFAU-UHFFFAOYSA-N	298.686	1.513	10	20	CDCD	
COc1ccc(CNC(=O)[C@H](C)n2ccnc2)c(O)c1	1321067027	HTSDYMRRLMDGCU-JTQLQIEISA-N	275.308	1.475	10	20	CDCD	
CC[C@@]1(C(=O)NCc2c(O)cccc2F)CCNC1	1342538298	XCPMFMCOFJSUCF-CQSZACIVSA-N	266.316	1.537	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@H]2NC[C@@H]3C[C@@H]32)cc1F	1352095443	NNXGQDFXURHPID-COPLHBTASA-N	277.343	1.116	10	20	CDCD	
O=C(NC1(C(=O)O)CCCC1)c1cc(O)cs1	1608404513	LOFZKQZLVIXJBB-UHFFFAOYSA-N	255.295	1.581	10	20	CDCD	
CCS(=O)(=O)C[C@H](C)NCc1ccc(N(C)C)cc1	113350724	MAUDBLPTMOXMFX-LBPRGKRZSA-N	284.425	1.665	10	20	CDCD	
CC[C@H](O)CCN[C@H](C)c1cc(C(=O)O)ccc1O	1605111845	RZVPWXZILSSTLP-KOLCDFICSA-N	267.325	1.902	10	20	CDCD	
CN(C)c1ccc(CNc2ncccc2-c2nn[nH]n2)cc1	1604704231	IJXPQAMAANJMKE-UHFFFAOYSA-N	295.350	1.940	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)O[C@@H](C(=O)O)C1CC1	1601237855	FHVBSQWOYTVANL-IUAZIXFQSA-N	278.260	1.517	10	20	CDCD	
C[C@H]1CCN(CC(=O)NCc2cccc(O)c2O)C1	1548791515	IMRVJWBUXLXIGU-JTQLQIEISA-N	264.325	1.056	10	20	CDCD	
C[C@@H]1OCC[C@@]1(O)CNCc1ccc(N(C)C)cc1	227975284	XQWFJZXDJQXBPW-SWLSCSKDSA-N	264.369	1.382	10	20	CDCD	
COc1cc(Cl)cc(CN2C[C@H]3CNC[C@@H]3C2)c1O	228667878	WBZAGMAMXTZQFL-GHMZBOCLSA-N	282.771	1.705	10	20	CDCD	
O=C(NCc1cccc(O)c1O)[C@H]1CC[C@@H](C(=O)O)C1	1594771286	MEVWXIZTECDHOY-DTWKUNHWSA-N	279.292	1.215	10	20	CDCD	
C[C@H](NCCCCO)c1cc(C(=O)O)ccc1O	1593265196	QUMLHKGQLWTXDN-VIFPVBQESA-N	253.298	1.514	10	20	CDCD	
COc1ccc(O)c(CNCC[C@H](O)C2CC2)c1	898202312	HJMRICXIZHJHMU-AWEZNQCLSA-N	251.326	1.651	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CCCCCN)cc1	40825810	NGWGRNONXVVEIA-UHFFFAOYSA-N	263.385	1.888	10	20	CDCD	
CN(C)C(=O)CCNCc1ccc(N2CCCC2)cc1	37751974	ZQKPTPVDLAXBNN-UHFFFAOYSA-N	275.396	1.855	10	20	CDCD	
COC(=O)[C@@H](C)CN(C)C(=O)Cc1ccc(N)cc1	37823457	AGQJBKBMZQJESZ-JTQLQIEISA-N	264.325	1.079	10	20	CDCD	
Oc1cccc(Cl)c1CN1CC[C@H](N2CCNCC2)C1	312315702	AXXFINGJVOKTCM-LBPRGKRZSA-N	295.814	1.525	10	20	CDCD	
Oc1cc2c(cc1CNCCOC(F)(F)F)OCO2	398308948	OTMNOZJTPMXIEM-UHFFFAOYSA-N	279.214	1.747	10	20	CDCD	
CC(=O)c1c[nH]c(C(=O)NCc2ccc(O)c(O)c2)c1	176500166	XOSMADBXKUKGDL-UHFFFAOYSA-N	274.276	1.559	10	20	CDCD	
COc1ccc(CNC(=O)c2ccc(C)c(O)c2O)cn1	177665938	NMFUPOQXYKJOGZ-UHFFFAOYSA-N	288.303	1.740	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1CCC[C@H]1CCO	187789918	FFLYPUCKLZCSGH-JHSWMASBSA-N	291.347	1.778	10	20	CDCD	
C[C@H](NCC1(C(N)=O)CCOCC1)c1cc(F)ccc1O	185003063	QERKCRLFRCPZOQ-JTQLQIEISA-N	296.342	1.464	10	20	CDCD	
CCOC(=O)c1cnc(SCC(=O)N(C)C)s1	379791335	BKDPQPGDSYPCLS-UHFFFAOYSA-N	274.367	1.500	10	20	CDCD	
COc1cccc(CNC(=O)NCC(C)C)c1O	80541265	WCAZYYSNOQZOSB-UHFFFAOYSA-N	252.314	1.856	10	20	CDCD	
C[C@@H](C(=O)NCc1ccc(N(C)C)cc1)n1cccn1	45054225	LIBDBCCMXALOKF-LBPRGKRZSA-N	272.352	1.827	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2CCOCC2(C)C)c1O	278149280	CAXKWDHWDPRTSF-UHFFFAOYSA-N	296.323	1.920	10	20	CDCD	
Cc1nn(C)cc1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	273139659	DQHLZBOZAMOZIX-SECBINFHSA-N	289.335	1.501	10	20	CDCD	
C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cccc(O)c1O	279305002	NUBJQVXTOIGKOL-SKDRFNHKSA-N	276.336	1.310	10	20	CDCD	
COc1ccc(O)c(CN2C[C@H](C)O[C@@]3(CCOC3)C2)c1	280294782	OLOZOUYXZVGMMY-LRDDRELGSA-N	293.363	1.781	10	20	CDCD	
CON(C)C(=O)C1CCN(Cc2cc(F)ccc2O)CC1	291353336	XMFHTJAICDNOSZ-UHFFFAOYSA-N	296.342	1.763	10	20	CDCD	
COc1cccc(CN2CC[C@H](CO)C[C@@H]2C)c1O	290187427	OIQQRMXDPYYPTB-RYUDHWBXSA-N	265.353	1.994	10	20	CDCD	
COCCc1ccnc(NC(=O)c2cccc(O)c2O)c1	804389077	MGMIDFUHLRAENG-UHFFFAOYSA-N	288.303	1.934	10	20	CDCD	
COc1ccc(O)c(CNC(=O)NCCc2cn[nH]c2)c1	812044394	YNKIOBZBUKEPNW-UHFFFAOYSA-N	290.323	1.166	10	20	CDCD	
C[C@@H]1C[C@H](CO)CN(C(=O)c2c(F)ccc(O)c2O)C1	817766807	RQFVGKJGIBVDTB-BDAKNGLRSA-N	283.299	1.327	10	20	CDCD	
CCN[C@H](C)CN[C@@H](C)c1cc(C(=O)OC)ccc1O	817972231	KKZNAAJOMCLODN-MNOVXSKESA-N	280.368	1.827	10	20	CDCD	
C[C@H](NC1CNC1)c1cc(Br)c(F)cc1O	817956296	VXBZVAUTDYOMPW-LURJTMIESA-N	289.148	1.916	10	20	CDCD	
COc1ccc(CNC(=O)C2(C(C)=O)CC2)c(O)c1	816550167	KCZLHWSRZWPZSY-UHFFFAOYSA-N	263.293	1.386	10	20	CDCD	
Cc1ccc(C(=O)OCCN2CCOC2=O)c(O)c1O	727004974	AYOSNDHLGDOYRP-UHFFFAOYSA-N	281.264	1.015	10	20	CDCD	
COc1ccc(O)c(CN2CCc3nn[nH]c3C2)c1	827885312	WSSQTKAXAJLLIU-UHFFFAOYSA-N	260.297	1.077	10	20	CDCD	
CC(C)(O)c1nnc(NCc2cc(F)cc(F)c2O)o1	905413211	KTNIRCLMFKWXER-UHFFFAOYSA-N	285.250	1.893	10	20	CDCD	
Cc1ccc(N(C)C(=O)c2c(C)c[nH]c2CC(N)=O)cc1	900492096	OUSHNOCSRGOUJH-UHFFFAOYSA-N	285.347	1.936	10	20	CDCD	
C[C@@H]1C[C@@H](C)N(Cc2cc(O)n3ncc(C(=O)O)c3n2)C1	737745681	WYRWYGDKWJZCRJ-RKDXNWHRSA-N	290.323	1.363	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NC2(CCO)CC2)cc1F	838029874	MZNKACNYZOOTRF-UHFFFAOYSA-N	295.358	1.606	10	20	CDCD	
Cc1noc([C@H](C)NC(=O)c2cc(O)cs2)n1	731872299	CSIXNPVGWSQEBH-YFKPBYRVSA-N	253.283	1.636	10	20	CDCD	
CN(C)C1(CNC(=O)c2cc(O)cs2)CCOCC1	733809489	RDHCKTXNIKTDRQ-UHFFFAOYSA-N	284.381	1.294	10	20	CDCD	
C[C@@H]1CCN(C(=O)NCCc2ccc(N)cc2)[C@@H]1CO	841957936	FSQGXEHYJACAAI-BXUZGUMPSA-N	277.368	1.224	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)c1cnc2n1CCC2	910942944	IVRRCMNKIJDRFX-UHFFFAOYSA-N	273.292	1.171	10	20	CDCD	
NCc1ccc2c(c1)CCCN2CC1CCNCC1	843058564	URZMFAGHJTXTGY-UHFFFAOYSA-N	259.397	1.898	10	20	CDCD	
C[C@H](N)CNC(=O)NCc1cc(Cl)cc(Cl)c1O	841986284	JAKZBFUJXMMTCQ-LURJTMIESA-N	292.166	1.845	10	20	CDCD	
N[C@H]1CCCN(Cc2ccc(N3CCOCC3)cc2)C1	843044264	ZPEFHCYLGOLOJC-HNNXBMFYSA-N	275.396	1.446	10	20	CDCD	
CCN[C@H](C)CNC(=O)NCc1ccc(N(C)C)cc1C	841825196	YSNTVWCQMKSMLJ-CYBMUJFWSA-N	292.427	1.858	10	20	CDCD	
CCOC(=O)[C@H](C)[C@H](C)NC(=O)Nc1ccc(N)cc1	841297199	NHIOEYCXVCDVDI-ZJUUUORDSA-N	279.340	1.978	10	20	CDCD	
C[C@H]1CCN(C(=O)NCCc2ccc(N)cc2)[C@@H]1CO	841957943	FSQGXEHYJACAAI-SMDDNHRTSA-N	277.368	1.224	10	20	CDCD	
CON(C)C(=O)[C@@H](C)NCc1ccc2c(c1)CCCO2	922298882	YBPIMPSRQULIDK-LLVKDONJSA-N	278.352	1.510	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NOC[C@H]2CCOC2)c1	858384787	VWGANVURGMWCRL-NSHDSACASA-N	280.324	1.468	10	20	CDCD	
CNC[C@@H](C)NC(=O)NCc1ccc(N(C)C)c(F)c1	851657398	ZRQLKYGVXJXRRG-SNVBAGLBSA-N	282.363	1.299	10	20	CDCD	
COc1cc(O)c(CN(C)Cc2cn(C)nn2)cc1OC	853568395	UJUHYTYDWCOFBY-UHFFFAOYSA-N	292.339	1.170	10	20	CDCD	
COC[C@@H]1CCCN(Cc2cc3c(cc2O)OC[C@@H]3O)C1	768446374	JZYYUDAOBIQNQW-ABAIWWIYSA-N	293.363	1.676	10	20	CDCD	
COC(=O)N[C@@H](C)C(=O)N[C@@H](C)c1cc(OC)ccc1O	761973511	QWXRSQULUUBCCZ-IUCAKERBSA-N	296.323	1.323	10	20	CDCD	
C[C@H](N[C@H](C)c1ccccc1O)C(=O)NC[C@@H]1CCCO1	879649782	USTVUZOWVOLHDV-AGIUHOORSA-N	292.379	1.727	10	20	CDCD	
COc1cccc(CNC(=O)[C@](C)(O)C(C)C)c1O	771419609	YSLWNDNQXWNRQU-CQSZACIVSA-N	267.325	1.424	10	20	CDCD	
Cc1nnc([C@H](C)NC(=O)/C=C/c2ccc(O)c(O)c2)o1	779532828	UAKZLHUGGHFFBQ-JQTRYQTASA-N	289.291	1.680	10	20	CDCD	
COC(=O)N1CC(NCc2c(C)cccc2O)C1	877098725	VWWRCIHBFWLHNJ-UHFFFAOYSA-N	250.298	1.241	10	20	CDCD	
C[C@H](NC(=O)c1cc[nH]n1)c1ccc(N(C)C)cc1	775403042	KQZOJBVULDEQLA-JTQLQIEISA-N	258.325	1.967	10	20	CDCD	
CCN(C)S(=O)(=O)N[C@H](C)c1ccc(N(C)C)cc1	773087247	HTZMPUQOOSGZFG-LLVKDONJSA-N	285.413	1.600	10	20	CDCD	
CCO[C@@H]1C[C@@H]1C(=O)OCC(=O)c1ccc(O)c(O)c1	783046778	NCKRCYOWDGHDQM-TVQRCGJNSA-N	280.276	1.249	10	20	CDCD	
Cc1ccc(C(=O)OCC(=O)c2ccc(O)c(O)c2)cn1	782640704	SYTIRXCCOCTKBD-UHFFFAOYSA-N	287.271	1.841	10	20	CDCD	
C[C@@H](Nc1cnn(CCO)c1)c1c(O)cccc1F	886578284	QUSJGKMDWJEEMF-SECBINFHSA-N	265.288	1.893	10	20	CDCD	
Cc1ccc(C(=O)NC[C@@H](O)c2ccncc2)c(O)c1O	780992719	BSLUSEXGIHBSQZ-GFCCVEGCSA-N	288.303	1.265	10	20	CDCD	
CC[C@@H]1CC[C@@H](C(=O)NCCc2ccc(O)c(O)c2)O1	270551234	OUIDNRIDTJQFLF-RISCZKNCSA-N	279.336	1.714	10	20	CDCD	
CCOc1cccc(CN2CC[C@@H](C3OCCO3)C2)c1O	896383837	FNKCPQDKMWISRB-CYBMUJFWSA-N	293.363	1.986	10	20	CDCD	
COc1cc(C)cc(CN2CCN3C(=O)OC[C@@H]3C2)c1O	894055112	PTAJXJBEZCDUJY-LBPRGKRZSA-N	292.335	1.346	10	20	CDCD	
CCOCCOC1CN(Cc2cc(C)cc(OC)c2O)C1	894414413	HYESCGRPAKBLTG-UHFFFAOYSA-N	295.379	1.947	10	20	CDCD	
C[C@@H](O)C[C@@H](C)NCc1cc([N+](=O)[O-])ccc1O	782977132	BYRGPUZEFNGFMW-RKDXNWHRSA-N	254.286	1.549	10	20	CDCD	
COC(=O)[C@H](NCc1cc(F)cc(F)c1O)C1CC1	894537322	COACVYULIPMQKS-LLVKDONJSA-N	271.263	1.712	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)[C@@H](O)Cc1ccccc1	793688397	FXXHETWAKOXLBA-HNNXBMFYSA-N	287.315	1.318	10	20	CDCD	
CSC[C@](C)(O)CNCc1cc(F)cc(F)c1O	708465479	IXBWDNATPGKQEE-GFCCVEGCSA-N	277.336	1.874	10	20	CDCD	
c1cc(N2CCCC2)ccc1CNCCN1CCNCC1	1326075227	JWNSKZRCVPGWMN-UHFFFAOYSA-N	288.439	1.282	10	20	CDCD	
Cc1ccc(O)c(CNS(=O)(=O)C[C@@H]2CCCOC2)c1	1329238480	JMVXCITYLUDSJP-GFCCVEGCSA-N	299.392	1.547	10	20	CDCD	
C[C@@H](NC(=O)CN1CCC(CO)CC1)c1ccccc1O	1336063578	KFWKTXUWVNNBPK-GFCCVEGCSA-N	292.379	1.274	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)C(=O)N(C1CC1)C1CC1	1335056098	OEORHJXZVDHMSB-UHFFFAOYSA-N	288.347	1.504	10	20	CDCD	
CN1C[C@@H](C(=O)Nc2c(Cl)ccc3nonc23)CC1=O	1346940895	KWSIXIZSSHWZGC-LURJTMIESA-N	294.698	1.293	10	20	CDCD	
COc1cc(C)cc(CNCCc2cn[nH]c2)c1O	1353592177	BSGKCQUUFUXYAO-UHFFFAOYSA-N	261.325	1.765	10	20	CDCD	
C[C@@H](N[C@@H](CCO)C1CC1)c1cc(C(=O)O)ccc1O	1604326887	UMGCTJSCLGGMHL-RNCFNFMXSA-N	279.336	1.902	10	20	CDCD	
Nc1ccc(CC(=O)N2C[C@H]3[C@@H](O)CC[C@H]3C2)cc1	123028675	SUTLOVZWPSMJEI-YUTCNCBUSA-N	260.337	1.041	10	20	CDCD	
C[C@@H]1CN(Cc2cc(F)cc(F)c2O)C[C@@H](C(=O)O)O1	1599866430	AUOYQWXACQUYFT-HQJQHLMTSA-N	287.262	1.344	10	20	CDCD	
COc1cccc(O)c1CN1CC[C@@H](NC(C)=O)C1	817412385	JVRXBLKQAUBCKW-LLVKDONJSA-N	264.325	1.111	10	20	CDCD	
C[C@]1(N)CCCC[C@H]1C(=O)NCc1ccccc1O	828015729	LDGANTIXLXVMIE-WFASDCNBSA-N	262.353	1.916	10	20	CDCD	
Cc1cccc(CNCc2nnn(C(C)(C)C)n2)c1O	848924046	VLVKEXXJUMWSLE-UHFFFAOYSA-N	275.356	1.732	10	20	CDCD	
C[C@@H](NC(=O)CNC[C@H]1CCCO1)c1ccccc1O	870988485	QPOUNJJEKHGQIH-VXGBXAGGSA-N	278.352	1.338	10	20	CDCD	
O=C(OCc1cc(=O)c(O)co1)c1cccc(O)c1O	113653514	IVAVTCNNEMPGPP-UHFFFAOYSA-N	278.216	1.114	10	20	CDCD	
CCC[C@@](C)(O)C(=O)NCc1ccc(N(C)C)cc1	119852259	NELANIZPUHJPKQ-OAHLLOKOSA-N	264.369	1.920	10	20	CDCD	
COc1ccc(N(C)CCC2OCCO2)c(OC)c1	125178824	ACHAGVQGLBQBJD-UHFFFAOYSA-N	267.325	1.903	10	20	CDCD	
CO[C@@H]1CCC[C@H]1NC(=O)c1cccc(O)c1O	126373272	IKNLEMJCEXENIP-MWLCHTKSSA-N	251.282	1.395	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1cccc(=O)n1C	121701701	OYEAHBQDVUTLFG-UHFFFAOYSA-N	299.374	1.690	10	20	CDCD	
O=C(NC[C@H]1CCCOC1)c1cccc(O)c1O	126358761	QSBIPUOONKAKIN-SECBINFHSA-N	251.282	1.254	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1CCOC1	47068433	GZJKEZBSUQKXEH-AWEZNQCLSA-N	291.395	1.931	10	20	CDCD	
Cc1nonc1C(=O)N(C)Cc1ccc(N(C)C)cc1	265055762	PRMYULQIYWGPJY-UHFFFAOYSA-N	274.324	1.716	10	20	CDCD	
COC(=O)[C@@H](NCc1ccc(OC)c(C)c1)[C@H](C)O	276492869	VUMJQLFEDDMWRS-GWCFXTLKSA-N	267.325	1.016	10	20	CDCD	
CN1CCCc2cc(CN3C(=O)N[C@H](C4CC4)C3=O)ccc21	277638749	DKDDSNFOUMVYMF-OAHLLOKOSA-N	299.374	1.899	10	20	CDCD	
COC(=O)C[C@H]1CCCN1C(=O)c1ccc(C)c(O)c1O	272774436	SZKHFSLLWBSSEB-SNVBAGLBSA-N	293.319	1.574	10	20	CDCD	
Cn1cc(C(=O)NCc2ccccc2O)c(C2CC2)n1	292159652	NCPPFKDKDWMSCK-UHFFFAOYSA-N	271.320	1.933	10	20	CDCD	
Nc1ccc(CNC(=O)c2cc(C3CC3)[nH]n2)cc1	297202201	MTFXHLMXMPPMBC-UHFFFAOYSA-N	256.309	1.799	10	20	CDCD	
CCCNS(=O)(=O)N[C@H](C)c1ccc(N(C)C)cc1	813692732	KJCKWCIVYKHCMI-LLVKDONJSA-N	285.413	1.648	10	20	CDCD	
NC(=O)CC1(CN[C@H]2CCc3cccc(O)c32)CC1	817585241	DGPBWORCJXMAHP-NSHDSACASA-N	260.337	1.625	10	20	CDCD	
C[C@H](NC[C@@H]1CNCCCO1)c1ccc(F)cc1O	817981464	KOMOQWGRFBBURV-JQWIXIFHSA-N	268.332	1.560	10	20	CDCD	
CCc1cccc(CN[C@H]2C[C@@H](C(=O)OC)C2)c1O	827500605	FJVHZSFRSJOCJJ-BETUJISGSA-N	263.337	1.996	10	20	CDCD	
COc1cc(Cl)cc(CN(C)Cc2cn(C)nn2)c1O	827304804	GETJWXIXJKBSBM-UHFFFAOYSA-N	296.758	1.815	10	20	CDCD	
O=C(O)[C@@H]1CC[C@H]1C(=O)NCc1c(O)cccc1F	902853707	RKWRACKVXIIFOJ-HTQZYQBOSA-N	267.256	1.258	10	20	CDCD	
COc1ccc(CNC(=O)c2cnn3c2CCC3)c(O)c1	831032531	GBMIXEPCNNKXQQ-UHFFFAOYSA-N	287.319	1.474	10	20	CDCD	
O=C1C[C@@H](COc2ccc(N3CCCC3)cc2)CN1	902283396	LOJVBVYIUAWBIG-GFCCVEGCSA-N	260.337	1.802	10	20	CDCD	
Cc1ccc(C)n1-c1ccc(C(=O)NCc2nn[nH]n2)cc1	731873527	SQWGCFFFBTXPQN-UHFFFAOYSA-N	296.334	1.537	10	20	CDCD	
c1cc(N2CCOCC2)ccc1CNCC[C@@H]1CCNC1	841037357	OFAMRAQZQPRCEQ-MRXNPFEDSA-N	289.423	1.612	10	20	CDCD	
CCN(C)C[C@H]1CCN(C(=O)c2cc(O)cs2)C1	748373447	TWVWYUVDNSDIMV-SNVBAGLBSA-N	268.382	1.868	10	20	CDCD	
CN[C@@H](C)C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1	848414025	HOFZSLFNPFXQSX-NSHDSACASA-N	295.358	1.091	10	20	CDCD	
CN(C)c1ccc([C@@H](N)CNCC2CCNCC2)cc1	843125966	LRVXXSATGPAOOU-INIZCTEOSA-N	276.428	1.342	10	20	CDCD	
O=C(CCn1ccnn1)NCc1cc(Cl)ccc1O	846473147	PIICLTCAZHMJCJ-UHFFFAOYSA-N	280.715	1.344	10	20	CDCD	
O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1C[C@H]2C[C@H]2N1	844173383	XXUPWUIAQIKAJI-BMFZPTHFSA-N	285.391	1.653	10	20	CDCD	
OC[C@@H](CCF)NCc1c(O)ccc(Cl)c1F	846097427	IWEDSWBPESEWEO-SSDOTTSWSA-N	265.687	1.995	10	20	CDCD	
CNC(=O)NC1CCN(Cc2cc(OC)ccc2O)CC1	840975265	VHQLHZHTXZULBT-UHFFFAOYSA-N	293.367	1.294	10	20	CDCD	
CCOc1ccc(CN2CCC[C@@H](N)C2)c(O)c1	843044209	YJSIGDLIJKOOOK-GFCCVEGCSA-N	250.342	1.714	10	20	CDCD	
COc1ccc(N(C)CCN2CCOC2=O)cc1F	758143354	UTPNPZGXDUHSAE-UHFFFAOYSA-N	268.288	1.723	10	20	CDCD	
C[C@H](NCCN1CC[C@@H](O)C1)c1ccc(Cl)cc1O	858547657	ICHXAOXHVZQDCR-CMPLNLGQSA-N	284.787	1.763	10	20	CDCD	
COC[C@H](CN[C@@H](C)c1cc(F)cc(F)c1O)OC	757636899	HILPQIFMQDRHAY-WPRPVWTQSA-N	275.295	1.982	10	20	CDCD	
CN(C)c1ccc(CNCC2(C(=O)O)CCOCC2)cc1	1118027314	YATZWDVSGQRHMB-UHFFFAOYSA-N	292.379	1.724	10	20	CDCD	
CN1CC[C@H](NCc2cc(Cl)cc(F)c2O)C1	776174419	MANPJEKBZHYUEB-JTQLQIEISA-N	258.724	1.978	10	20	CDCD	
CCN1C[C@H](CNCc2cc(F)cc(F)c2O)CC1=O	883158972	WVTRMLCYPOZXQH-VIFPVBQESA-N	284.306	1.628	10	20	CDCD	
C[C@@H](NC(=O)[C@@H]1CC(=O)N(C)C1)c1ccc(N(C)C)cc1	773010280	NUIVRQQITNWRDK-DGCLKSJQSA-N	289.379	1.408	10	20	CDCD	
Nc1ccc(CNC(=O)N2CCC[C@H](CO)CC2)cc1	1120592326	VPQPNWSPFMPXTM-ZDUSSCGKSA-N	277.368	1.573	10	20	CDCD	
COCC[C@](C)(O)CN[C@@H](C)c1cc(F)ccc1O	185468069	PSTPIJNVSOWHDJ-HZMBPMFUSA-N	271.332	1.969	10	20	CDCD	
C[C@@](O)(Cn1cc(COc2ccc(N)cc2)nn1)C(F)F	887464448	ACNDEZPSHRHWBW-CYBMUJFWSA-N	298.293	1.455	10	20	CDCD	
CCN(C)C(=O)[C@@H](C)NC(=O)c1cc(O)cs1	789918569	KHWQVKHMBIONEC-SSDOTTSWSA-N	256.327	1.050	10	20	CDCD	
COc1ccc2c(c1)CCCN2CN1C[C@@H](OC)CC1=O	787224269	NSPRLRJNJFNXSW-AWEZNQCLSA-N	290.363	1.653	10	20	CDCD	
COc1ccc(CN2C[C@@H]3[C@@H](CO)[C@@H]3C2)c(O)c1OC	894584934	GUHFEOMVUGUTMO-GDNZZTSVSA-N	279.336	1.080	10	20	CDCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)NC)cc1	789692937	FAJWJRAPNYUVMP-UHFFFAOYSA-N	277.368	1.237	10	20	CDCD	
COc1cc(C)cc(CN[C@H]2CC(=O)N(C3CC3)C2)c1O	894397801	RSOAGBDYBSPSJZ-LBPRGKRZSA-N	290.363	1.562	10	20	CDCD	
C[C@@H](NC(=O)N1C[C@@H]2C[C@H]1CN2)c1ccc(N(C)C)cc1	891813858	LWFYDGQRASFXKV-ZLDLUXBVSA-N	288.395	1.569	10	20	CDCD	
COc1cc(Cl)cc(CNC[C@H]2CCN2C)c1O	712541918	GVPLJCDYNNPOLS-LLVKDONJSA-N	270.760	1.848	10	20	CDCD	
COc1ccc(CNC(=O)C2SCCS2)c(O)c1	794388670	ZKESLNQDDQRZMA-UHFFFAOYSA-N	285.390	1.823	10	20	CDCD	
COc1ccc(O)c(CN2C[C@H](C)S(=O)[C@@H](C)C2)c1	792193635	ZUYIHIPKZNRSIV-QWRGUYRKSA-N	283.393	1.742	10	20	CDCD	
CCC(=O)NCCC1=CCN(c2ccnc(C)n2)CC1	1089794748	KVYQOJBGRXBIDG-UHFFFAOYSA-N	274.368	1.838	10	20	CDCD	
Oc1cc2c(cc1CN1C[C@H]3C=C[C@H]1C3)[C@H](O)CO2	1337187149	DIHRHKJXXQQPFB-NURSFMCSSA-N	259.305	1.578	10	20	CDCD	
CN[C@@H](C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	1345639066	XNHUIOYRSPTGRA-WFASDCNBSA-N	292.427	1.079	10	20	CDCD	
CC(=O)c1cc(F)cc(CN(C2CC2)C2CNC2)c1O	1575033608	TVFYAPHNQRKCFL-UHFFFAOYSA-N	278.327	1.670	10	20	CDCD	
CN(C(=O)C1=CC[C@H](N)C1)c1ccc([N+](=O)[O-])nc1	1578368904	WVKQQHZMVZLDBV-VIFPVBQESA-N	262.269	1.000	10	20	CDCD	
COc1ccc(N2CC[C@H](N[C@H]3C[C@H](N)C3(C)C)C2)cc1	1579224733	UPMGBNUUPTURHB-RCBQFDQVSA-N	289.423	1.989	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN(C)CCC(=O)O)c1O	1594047782	FUQNJVHMYSZGDF-UHFFFAOYSA-N	284.268	1.216	10	20	CDCD	
C[C@H]1COCCN1CCSc1ncc(C(=O)O)s1	1594607502	KSVPAHGAAVFDJQ-QMMMGPOBSA-N	288.394	1.654	10	20	CDCD	
C[C@H](CNCc1ccc(N2CC[C@H](O)C2)cc1)C(=O)O	1776425282	FECBZILWNRHUCJ-RISCZKNCSA-N	278.352	1.068	10	20	CDCD	
CCCN(Cc1cn(C)nn1)c1ccc(CN)cc1	233019979	XZCKCRLBBJOXQP-UHFFFAOYSA-N	259.357	1.690	10	20	CDCD	
CC(C)[C@H](O)Cn1cc(COc2ccc(N)cc2)nn1	881320021	FFSAENSCDHKMQX-CQSZACIVSA-N	276.340	1.456	10	20	CDCD	
CCOC(=O)C1=NN(c2cc(F)ccc2F)C(=O)[C@H]1C	899362168	MDTAIUBTQJLRBS-ZETCQYMHSA-N	282.246	1.867	10	20	CDCD	
O=S(=O)(NCc1ccccc1O)N1CCCCCC1	158581468	RPEMGPMLBBKCOA-UHFFFAOYSA-N	284.381	1.603	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NCC2(CO)COC2)c1	182325813	WZIYGTDQVBVGKC-SNVBAGLBSA-N	267.325	1.060	10	20	CDCD	
Cc1cccc(CN2CCC(NS(C)(=O)=O)CC2)c1O	705499867	ISDGOIBWVKKFMO-UHFFFAOYSA-N	298.408	1.214	10	20	CDCD	
Oc1c(F)cc(F)cc1CNCCCN1CCOCC1	708393330	CZGLPOVSKCJWEU-UHFFFAOYSA-N	286.322	1.482	10	20	CDCD	
OC[C@H](C[C@H]1CCCO1)N[C@@H]1CCc2cccc(O)c21	886670232	LDWFDWDVSJEDNB-BFHYXJOUSA-N	277.364	1.899	10	20	CDCD	
Cc1ccc(C(=O)NCC(C)(C)C[C@@H](C)O)c(O)c1O	179529103	MAWBGQWMNONGNE-SNVBAGLBSA-N	281.352	1.933	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@H]2CC23CCNCC3)cc1	70255212	ZCULHKNQHDUZJP-HNNXBMFYSA-N	287.407	1.759	10	20	CDCD	
COc1ccc(CNC[C@]2(O)CCOC2)cc1C	229638956	DBVSEIZXFROAJY-CQSZACIVSA-N	251.326	1.245	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@H]2CCCCN2)cc1	40825786	XQQLAEAIAXZKBE-CQSZACIVSA-N	261.369	1.511	10	20	CDCD	
COc1ccc(O)c(CN[C@@H]2C(=O)NCC[C@@H]2C)c1	195006891	BGWABKITWHHUSW-ZANVPECISA-N	264.325	1.015	10	20	CDCD	
CCOc1cccc(CN[C@H]2CCC(=O)N(C)C2=O)c1O	90023760	UNRWIGMZWINNFG-NSHDSACASA-N	292.335	1.028	10	20	CDCD	
CN(C)C(=O)O[C@@H]1CCN(Cc2ccccc2O)C1	295118779	MVLBXJJXDMTCEO-GFCCVEGCSA-N	264.325	1.665	10	20	CDCD	
C[C@H](CCO)CCNCc1cc2c(cc1O)OCO2	295175760	UZWJRBQFMQOATF-JTQLQIEISA-N	267.325	1.619	10	20	CDCD	
CCN(CC(=O)OC)c1ccc(OC)c(OC)c1	265982403	FXZXRQMQQJDQHN-UHFFFAOYSA-N	253.298	1.703	10	20	CDCD	
OC[C@H](C[C@@H](O)c1ccccc1)NCc1ccccc1O	269892503	CQYRFCGLUQMLLN-DOTOQJQBSA-N	287.359	1.966	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@H]2CC23CCOCC3)c1	364360233	POWBPADMJFWLPM-CYBMUJFWSA-N	291.347	1.834	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCC[C@@H]1[C@H]1CCCO1	285795908	MGFWEGGEOCPJBY-DGCLKSJQSA-N	277.320	1.881	10	20	CDCD	
Cc1ccc([C@H](C)NC[C@@H](CO)[C@H]2CCOC2)c(O)c1	280875747	NZQJQXFOUNTIOY-IHRRRGAJSA-N	279.380	1.996	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@@](C)(O)C2CC2)c1	804460329	IXYWXUVKULEDRL-AWEZNQCLSA-N	265.309	1.178	10	20	CDCD	
CCOc1ccc(CN(C)CCC(N)=O)c(O)c1	809713874	OFETWMTZJMQTGJ-UHFFFAOYSA-N	252.314	1.098	10	20	CDCD	
CCn1c(C)cc(C(=O)OCC(=O)C(C)=O)c1C	808491528	PBWFRCPQBBLUED-UHFFFAOYSA-N	251.282	1.440	10	20	CDCD	
C[C@H](N[C@H]1CCCN(CCCO)C1)c1ccccc1O	297346146	OUQLXCZNWANRJB-KBPBESRZSA-N	278.396	1.890	10	20	CDCD	
C[C@H]1C[C@@H](NCCN2CCNCC2)c2c(O)ccc(F)c21	817945083	TYYSZWRSRRPHBU-WCQYABFASA-N	293.386	1.574	10	20	CDCD	
COC(OC)C(=O)NCc1cc(Cl)cc(Cl)c1O	822949941	VOUGPFNOLRERMG-UHFFFAOYSA-N	294.134	1.934	10	20	CDCD	
CC(C)C1(C(=O)NCc2ccc(O)cc2O)COC1	822972007	LODWGQCOKPYJQX-UHFFFAOYSA-N	265.309	1.387	10	20	CDCD	
COc1ccc(O)c([C@@H](C)N[C@@H]2COCC[C@H]2OC)c1	724880316	OULAKUBDQOCFLN-WDBKCZKBSA-N	281.352	1.855	10	20	CDCD	
NC(=O)[C@H]1CCCC[C@@H]1NC(=O)c1cc(O)cs1	829689733	YPCFBDMAMHHPNL-IUCAKERBSA-N	268.338	1.228	10	20	CDCD	
CCOC(=O)/C(=C/c1cncn1C)c1nccn1C	901466197	YGJDXXPMHOGQRK-YRNVUSSQSA-N	260.297	1.257	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@H](O)C(C)(C)C)cc1F	735856255	VDJCTZZBAJNVPI-CYBMUJFWSA-N	282.359	1.915	10	20	CDCD	
CC(C)(C)CC(=O)NCC(=O)NCc1ccc(N)cc1	837303075	SRVLVZFATHMGDT-UHFFFAOYSA-N	277.368	1.437	10	20	CDCD	
CCO[C@H]1C[C@@H](NC(=O)/C=C/c2ccc(O)c(O)c2)C1	837736701	TVQAXCZGGCADRD-FVSXHXCTSA-N	277.320	1.795	10	20	CDCD	
CO[C@@H]1CCC[C@H]1NC(=O)/C=C\c1ccc(O)c(O)c1	836849846	ZDZBHRVXXXPOPE-CJHPJESHSA-N	277.320	1.795	10	20	CDCD	
CCC(=O)N[C@@H](C)C(=O)NCc1ccc(N(C)C)c(F)c1	746864746	WRTFYYPZKCWGOL-JTQLQIEISA-N	295.358	1.423	10	20	CDCD	
COc1cc(C)cc(CN2CCCN(C)CC2)c1O	915795077	OSSKYKORKKMWJR-UHFFFAOYSA-N	264.369	1.847	10	20	CDCD	
CC[C@@H]1CN(Cc2cc3c(cc2O)OC[C@H]3O)[C@@H](C)CO1	844733777	XSGFAEJORQVGHL-JVLSTEMRSA-N	293.363	1.817	10	20	CDCD	
CCc1nc(CNC(=O)NCCc2ccc(N)cc2)co1	841912310	IXOQGKBFLZFEJC-UHFFFAOYSA-N	288.351	1.861	10	20	CDCD	
Nc1ccc(CCNC(=O)N[C@H]2CC[C@H](CO)CC2)cc1	841956585	COAUHODVKFNSDB-CTYIDZIISA-N	291.395	1.662	10	20	CDCD	
COC[C@H](C)[C@H](C)C(=O)NCc1ccc(O)cc1O	910943359	ATZXPOGATREHGE-UWVGGRQHSA-N	267.325	1.633	10	20	CDCD	
CCc1cccc(CN2CCO[C@H](C(=O)OC)C2)c1O	848886769	WHUIKJAWEWBCPU-ZDUSSCGKSA-N	279.336	1.328	10	20	CDCD	
C[C@@H]1COC[C@@H]1NC(=O)N(C)Cc1ccccc1O	925991854	JBMNJTDBEHZXMJ-PWSUYJOCSA-N	264.325	1.569	10	20	CDCD	
CSCC[C@@H](O)C(=O)N[C@H](C)c1ccccc1O	827941754	XPNXZIGMWNKSQA-BXKDBHETSA-N	269.366	1.683	10	20	CDCD	
CCOc1ccc(CNCc2cc(C(N)=O)no2)c(O)c1	757904965	CKFRBABQBKPIMR-UHFFFAOYSA-N	291.307	1.168	10	20	CDCD	
C[C@@H](NCc1cc(F)c(N(C)C)cc1F)C(=O)N(C)C	858148719	IOGWNDFCWBKYDB-SECBINFHSA-N	285.338	1.597	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N[C@@H](CO)CC2CC2)cc1	754786200	SGEQRPLIBFQILC-CQSZACIVSA-N	291.395	1.713	10	20	CDCD	
Cc1ccc(C(=O)N[C@H](CCO)C(F)(F)F)c(O)c1O	854617392	JDTWVXYQEWXTQD-MRVPVSSYSA-N	293.241	1.449	10	20	CDCD	
CN(C)c1cc(F)c(CN2CC[C@@H](C(N)=O)C2)cc1F	862211387	IERQQCOVJVYMSO-SECBINFHSA-N	283.322	1.338	10	20	CDCD	
CN(Cc1ccc(N2CCOCC2)cc1)CC1(O)CCC1	764141045	TZBYVFJFDKDBBC-UHFFFAOYSA-N	290.407	1.870	10	20	CDCD	
COc1cccc(CNC(=O)c2ccc([N+](=O)[O-])[nH]2)c1O	769497942	FVSOPDBMDDYBAT-UHFFFAOYSA-N	291.263	1.567	10	20	CDCD	
COc1cccc(O)c1CNC[C@H](CO)Cc1ccco1	768842891	ZBDUAKMZBYWRLS-GFCCVEGCSA-N	291.347	1.935	10	20	CDCD	
Cc1cccc(CNCc2ccnc(N(C)C)n2)c1O	779432583	WASXVKJPEHQBTR-UHFFFAOYSA-N	272.352	1.846	10	20	CDCD	
CCN[C@@H](C)C(=O)NCc1ccc(N2CCOCC2)cc1	876726456	GZAOKPRMFPZBJS-ZDUSSCGKSA-N	291.395	1.137	10	20	CDCD	
Cn1cc(/C=C\C(=O)NCc2ccc(O)c(O)c2)cn1	778914947	PDQMKSSQGYAJBC-HYXAFXHYSA-N	273.292	1.161	10	20	CDCD	
C[C@H](NC[C@H](CO)[C@H]1CCOC1)c1c(O)cccc1F	886605618	VIDICAFNYIGVOX-SDDRHHMPSA-N	283.343	1.827	10	20	CDCD	
COc1cccc(CN2CCN(C)[C@@H](C)[C@H]2C)c1O	775983097	BBZBYQPOLZVXJF-NWDGAFQWSA-N	264.369	1.925	10	20	CDCD	
COC(=O)C[C@H]1CCCN1C(=O)NCc1ccc(N)cc1	1120677373	OZBDIBKMNIRJDO-CYBMUJFWSA-N	291.351	1.506	10	20	CDCD	
COC[C@@](C)(O)CN[C@@H](C)c1c(O)cccc1F	886526420	LXODGMJUGRTZLV-ZANVPECISA-N	257.305	1.579	10	20	CDCD	
C[C@H](CO[C@H]1CCOC1)NCc1cc(F)cc(F)c1O	883034094	LOFPEUANLLTQHA-SKDRFNHKSA-N	287.306	1.954	10	20	CDCD	
COc1ccc(CN[C@@H](C)CCO)c(O)c1OC	893004850	MZNQNGFARINRIM-VIFPVBQESA-N	255.314	1.270	10	20	CDCD	
C[C@@H]1CN(C)C(=O)CN1Cc1cccc(Cl)c1O	783733788	OHNIJHMVYZPJRD-SECBINFHSA-N	268.744	1.708	10	20	CDCD	
CC[C@H](CO)N(C)Cc1cc(C)cc(OC)c1O	894872192	ZLKYBVJZCZYMBI-GFCCVEGCSA-N	253.342	1.912	10	20	CDCD	
COc1coc(C(=O)NCc2ccccc2O)cc1=O	798980648	WPDNYWBWGOVSDC-UHFFFAOYSA-N	275.260	1.284	10	20	CDCD	
Oc1cc2c(cc1CN1CC[C@@H](CF)C1)OCO2	711502584	MSICIWNRNNOGER-VIFPVBQESA-N	253.273	1.912	10	20	CDCD	
CN1C[C@H]2CN(Cc3cc4c(cc3O)OCO4)C[C@H]2C1	194541881	VLNFZYZSZZWDSG-TXEJJXNPSA-N	276.336	1.114	10	20	CDCD	
OC[C@H]1CN(Cc2ccc(N3CCCC3)cc2)CC[C@@H]1O	1204325027	QFSLBFAQTXWMNC-WBVHZDCISA-N	290.407	1.462	10	20	CDCD	
CNC(=O)CN(C)Cc1ccc(Br)cc1O	691781245	UNTVDFYZUBNQGK-UHFFFAOYSA-N	287.157	1.333	10	20	CDCD	
CC[C@H](NC[C@@H](O)CN(C)C)c1ccc(C)cc1O	794811683	XWCBFVLPBUYHAS-OCCSQVGLSA-N	266.385	1.664	10	20	CDCD	
Cc1ccc(O)c(CN2CCN(Cc3nc[nH]n3)CC2)c1	1334383949	JJDDQGQCTQMTFA-UHFFFAOYSA-N	287.367	1.137	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NC[C@H](C(=O)O)C(C)C)c1	1263070916	LUBLULLWLFQVAS-LBPRGKRZSA-N	294.351	1.857	10	20	CDCD	
O=C(O)[C@@H](O)C1CCN(Cc2ccc(Cl)cc2O)CC1	1601684782	NHZZDEQRTVSBCF-ZDUSSCGKSA-N	299.754	1.703	10	20	CDCD	
Cc1cc(Cl)cc(CN2C[C@@H](C(=O)O)C[C@@H](O)C2)c1O	1600218909	GATQFXKWIGTTMJ-CMPLNLGQSA-N	299.754	1.621	10	20	CDCD	
CC[C@@H](CO)N[C@H](CC)c1cccc(-c2nn[nH]n2)c1O	1590472273	RFRORQAZZKMDEK-JOYOIKCWSA-N	291.355	1.384	10	20	CDCD	
CCOc1cccc(CN2CCCC[C@@H]2C(N)=O)c1O	162031079	QWSPNTCIWRUZCD-GFCCVEGCSA-N	278.352	1.631	10	20	CDCD	
O=C(NCCN1CCCCC1)c1cccc(O)c1O	126322665	WHHNLQAKAWSGOV-UHFFFAOYSA-N	264.325	1.314	10	20	CDCD	
CS[C@H](CO)[C@@H](C)NCc1cc(F)cc(F)c1O	708466700	ULWADCKMFUTUNN-RDDDGLTNSA-N	277.336	1.872	10	20	CDCD	
CO[C@H](C)C(=O)N(C)Cc1ccc(N(C)C)cc1	55214824	NQWVYJYPKSKVGW-LLVKDONJSA-N	250.342	1.746	10	20	CDCD	
CCCN(CCCC(=O)NC(N)=O)Cc1ccccc1O	170779068	YAZQRKUVXUZMRW-UHFFFAOYSA-N	293.367	1.579	10	20	CDCD	
COC[C@H](C)S(=O)(=O)NCc1ccc(N(C)C)cc1	117904323	ZAHBPIQTSSFUIT-NSHDSACASA-N	286.397	1.207	10	20	CDCD	
COc1cccc(CNC(=O)NC[C@@H]2CCCOC2)c1O	174191162	RWSHHILFPHKPIK-NSHDSACASA-N	294.351	1.627	10	20	CDCD	
C[C@@H](NCCCN1CCN(C)CC1)c1ccc(F)cc1O	62745043	VZNQQPUIRCOEOH-CYBMUJFWSA-N	295.402	1.819	10	20	CDCD	
CC(=O)N1CCN(Cc2cc(C)c(C)cc2O)CC1	125239029	IPXHJBVRDKNROL-UHFFFAOYSA-N	262.353	1.673	10	20	CDCD	
CC1CCN(CCCNC(=O)c2cccc(O)c2O)CC1	186795400	WVVZZLXVGDPJQP-UHFFFAOYSA-N	292.379	1.950	10	20	CDCD	
Cc1ccc(C(=O)N(C)CCOCC2CC2)c(O)c1O	182590345	VIWZOMIBJWJAON-UHFFFAOYSA-N	279.336	1.905	10	20	CDCD	
c1ncn(CCCNCc2ccc3c(c2)CCO3)n1	381717749	TVKZFUONIPMEKH-UHFFFAOYSA-N	258.325	1.393	10	20	CDCD	
COC(=O)[C@@H]1C[C@H](O)CN1Cc1cc(C)c(C)cc1O	93441342	QJZYZYVPSURPIA-STQMWFEESA-N	279.336	1.117	10	20	CDCD	
COC[C@H](CO)NCc1cccc(Br)c1O	234794318	PUEIMUKRRIRECC-VIFPVBQESA-N	290.157	1.252	10	20	CDCD	
CCCNC(=O)CCCC(=O)Nc1ccc(N)cc1	236839593	WZMYRKWZNSFYMT-UHFFFAOYSA-N	263.341	1.904	10	20	CDCD	
COC[C@H]1CN(Cc2cc(OC)c(C)cc2O)C[C@@H](C)O1	249942082	TUXZBNYGCUEIED-TZMCWYRMSA-N	295.379	1.945	10	20	CDCD	
COCc1nnc(SCC(=O)c2ccc(O)c(O)c2)[nH]1	268504966	UEWZCCGPFLXXMN-UHFFFAOYSA-N	295.320	1.337	10	20	CDCD	
C[C@@H](NC[C@@H]1COCCN1)c1ccc(F)cc1O	530227845	WHMCPMUUIGQZGU-MWLCHTKSSA-N	254.305	1.170	10	20	CDCD	
CC[C@@H](NCCS(C)(=O)=O)c1ccc(C)cc1O	279983207	DTRKKJBNTGPDGU-GFCCVEGCSA-N	271.382	1.786	10	20	CDCD	
CS[C@@H](CO)[C@H](C)NC(=O)c1ccc(C)c(O)c1O	272739117	LRUSQWNQMLMNMG-WPRPVWTQSA-N	285.365	1.248	10	20	CDCD	
Cc1ccc(C(=O)NC[C@@H](C)N(C)C)c(O)c1O	272835963	QPVUGHAYECMOOF-SECBINFHSA-N	252.314	1.086	10	20	CDCD	
CO[C@@H](CNC(=O)c1ccc(C)c(O)c1O)C(C)C	272758280	PSUMZHDFQDQQDE-NSHDSACASA-N	267.325	1.807	10	20	CDCD	
COC(=O)C1(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)CC1	274889281	CLUMNIBTZAAXQL-VIFPVBQESA-N	293.319	1.098	10	20	CDCD	
Oc1ccc(F)cc1CN1CC[C@H](n2cncn2)C1	377275796	BISDVRDVXYTPQX-LBPRGKRZSA-N	262.288	1.570	10	20	CDCD	
CCCOc1ccc(CN2CC(=O)NCC2(C)C)c(O)c1	282894618	ZOYYLUWFDQSFIW-UHFFFAOYSA-N	292.379	1.891	10	20	CDCD	
CC[C@H](N[C@@H](CO)COC)c1ccc(N(C)C)cc1	281159372	PBAKJNCROYIWDF-ZFWWWQNUSA-N	266.385	1.801	10	20	CDCD	
CCCN(Cc1cc(F)ccc1O)[C@H]1CC(=O)N(C)C1=O	282843041	CVHUWZBHUIGSIX-LBPRGKRZSA-N	294.326	1.501	10	20	CDCD	
CN(C)[C@H](C(=O)NCc1ccccc1O)c1cncn1C	283566441	WBZHWDPKWTULIY-AWEZNQCLSA-N	288.351	1.045	10	20	CDCD	
COc1cc(C(=O)OCC(=O)C(C)=O)cc(OC)c1C	808487520	NQHXQABTYDEQON-UHFFFAOYSA-N	280.276	1.327	10	20	CDCD	
O=C(O)[C@@H]1C[C@H]2CC[C@H]1N(C(=O)c1cccc(O)c1O)C2	394630213	BOLJWPMRZRVCRR-FBIMIBRVSA-N	291.303	1.423	10	20	CDCD	
C[C@@H](NC[C@@H]1CNCCCO1)c1cc(F)ccc1O	817981286	IKLSAESWJCZRQO-PWSUYJOCSA-N	268.332	1.560	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@H]2CCNC2)c1	817944797	MJYCFTBHWYCJGF-ONGXEEELSA-N	264.325	1.191	10	20	CDCD	
CC(=O)N1CCCC[C@H]1C(=O)Nc1ccc(N)cc1	818556487	VARQDHXQBLBCTQ-ZDUSSCGKSA-N	261.325	1.608	10	20	CDCD	
COC1([C@@H](C)NC(=O)c2cc(O)cs2)CCOCC1	817770899	ODCRVPCTKLMGTH-SECBINFHSA-N	285.365	1.768	10	20	CDCD	
O=C(CCc1ncccn1)NCCc1ccc(O)c(O)c1	812536295	WZRNHTSTTMKXAD-UHFFFAOYSA-N	287.319	1.179	10	20	CDCD	
CC[C@H](C)NC(=O)[C@@H](C)OC(=O)c1ccc(C)c(O)c1O	727005622	UHOVVOQCDWXVFK-VHSXEESVSA-N	295.335	1.866	10	20	CDCD	
C[C@@H](C(=O)N[C@H](C)c1ccccc1O)[C@@H](C)S(C)(=O)=O	827946728	QPZJDSVMVCFXLX-GMTAPVOTSA-N	299.392	1.639	10	20	CDCD	
CO[C@H]1COCC[C@H]1CNCc1cc(C)ccc1O	824708047	CXDLVMAYVDHTQX-WFASDCNBSA-N	265.353	1.842	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCC[C@H](C2OCCO2)C1	732281850	CJJPRAOCSFCXLU-VIFPVBQESA-N	283.349	1.679	10	20	CDCD	
CC[C@@H](CNCc1ccc(N(C)C)cc1)C(=O)O	903705298	UGYGPBOMYWXNJB-LBPRGKRZSA-N	250.342	1.953	10	20	CDCD	
Cc1cc(O)c(CNC[C@@]2(C)CCC(=O)N2)cc1C	835061370	RWSCQMCDXJOFSW-OAHLLOKOSA-N	262.353	1.767	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)C1CCOCC1	910957764	NFXPBCGSWNMYBH-UHFFFAOYSA-N	251.282	1.141	10	20	CDCD	
OC[C@H](NCc1ccc2c(c1)CCO2)[C@H]1CCCOC1	840964294	YXGHSNGCLIWNBP-GJZGRUSLSA-N	277.364	1.499	10	20	CDCD	
CCC1(O)CCN(C(=O)c2cc(O)cs2)CC1	743717452	GBCGVWAMOHIODL-UHFFFAOYSA-N	255.339	1.831	10	20	CDCD	
Cc1cc(O)c(CNCCC[S@](C)=O)cc1C	742372127	RJYCPTIAWZKQSI-KRWDZBQOSA-N	255.383	1.867	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H](C)C[C@H](C)N)c1O	843129943	VBENRVGXXFJTRZ-IUCAKERBSA-N	283.328	1.524	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1CCN2C(=O)OC[C@H]2C1	840915814	FRBHDIMGGVMOJD-OAHLLOKOSA-N	289.379	1.697	10	20	CDCD	
CCNC(=O)CCC(=O)NCc1cc(Cl)ccc1O	846473143	PIDJSPGKSNQJGW-UHFFFAOYSA-N	284.743	1.578	10	20	CDCD	
C[C@H]1C[C@@H](NCCOCCO)c2c(O)ccc(F)c21	756360693	DZJQJJDRAAUMPI-GXSJLCMTSA-N	269.316	1.678	10	20	CDCD	
C[C@H]1C[C@H](NCCS(C)(=O)=O)c2c(O)ccc(F)c21	756505667	VDKZSKKQMFTGRT-WPRPVWTQSA-N	287.356	1.714	10	20	CDCD	
C[C@@H](NCC(C)(C)CO)c1cc([N+](=O)[O-])ccc1O	756761027	STOUWGRACBKREE-SECBINFHSA-N	268.313	1.970	10	20	CDCD	
C[C@H](NC(=O)N[C@H]1C[C@H](CO)C1)c1ccc(N(C)C)cc1	922053547	DUEPRANHYCLSTM-OBJOEFQTSA-N	291.395	1.884	10	20	CDCD	
C[C@H](N)CN(C)Cc1cc(Cl)cc([N+](=O)[O-])c1O	863654028	SFZVTHNPKBMMFJ-ZETCQYMHSA-N	273.720	1.733	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2cnc(O)n2C)cc1F	865051886	XQUYSVVYJHPLDA-UHFFFAOYSA-N	292.314	1.261	10	20	CDCD	
CS[C@@H]1CN(C(=O)c2cc(O)cs2)C[C@H]1N(C)C	765273775	XOVOIZOMSDJQKB-MWLCHTKSSA-N	286.422	1.571	10	20	CDCD	
COc1cccc(CNC(=O)CCNC(C)(C)C)c1O	934940107	IATJMTBDIMQDRO-UHFFFAOYSA-N	280.368	1.795	10	20	CDCD	
COc1ccc(O)c(CNC(=O)Cc2ccco2)c1	769497938	FLOGNVGZJFQHPB-UHFFFAOYSA-N	261.277	1.853	10	20	CDCD	
Cc1ncc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c(N)n1	776269628	MCFUYHBAINKRLM-JTQLQIEISA-N	299.378	1.924	10	20	CDCD	
C[C@H]1[C@@H](C)N(C)CCN1C(=O)/C=C\c1ccc(O)c(O)c1	779547139	IYJUXJQJLIKIPR-OXTPZFROSA-N	290.363	1.662	10	20	CDCD	
CC(C)(CCO)CNC(=O)c1c(F)ccc(O)c1O	1117757217	VFXCSEBESQJNRH-UHFFFAOYSA-N	271.288	1.375	10	20	CDCD	
Cc1cccc(O)c1CN1C[C@@H](C)O[C@@H](CO)C1	877466430	JNBSPXSYSYZADU-VXGBXAGGSA-N	251.326	1.282	10	20	CDCD	
Cc1ccc(CN2CCS(=O)(=O)CC2(C)C)c(O)c1	877512833	COVTWOHRGGZKQP-UHFFFAOYSA-N	283.393	1.710	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2CC[C@@H](O)[C@@H](C)C2)c1O	775091179	WIPRUSNZBGFJAW-JOYOIKCWSA-N	296.323	1.512	10	20	CDCD	
C[C@H](NC(=O)[C@H]1COCCO1)c1ccc(N(C)C)cc1	773004786	ARBJEFGJVDHZDE-SMDDNHRTSA-N	278.352	1.345	10	20	CDCD	
C[C@@H](NC(=O)[C@H]1C[C@@]12CCNC2)c1ccccc1O	870988080	FWWTUPFGTURDHP-IXPVHAAZSA-N	260.337	1.569	10	20	CDCD	
C[C@@H](NC(=O)c1cc[nH]n1)c1ccc(N(C)C)cc1	775403044	KQZOJBVULDEQLA-SNVBAGLBSA-N	258.325	1.967	10	20	CDCD	
COc1ccc(N(C)CC(=O)N=[S@@](C)(=O)N(C)C)cc1	878800768	BHUKQHTYGPOQDL-HXUWFJFHSA-N	299.396	1.232	10	20	CDCD	
OC/C=C/CNCc1ccc(N2CCC(O)CC2)cc1	877625439	YPYJACWZYCGJNU-OWOJBTEDSA-N	276.380	1.286	10	20	CDCD	
CCN(C)c1ccc(CN2CCOC[C@@H]2C(=O)OC)cc1	773790256	QULIRDKQUJMDEM-OAHLLOKOSA-N	292.379	1.517	10	20	CDCD	
CC[C@@]1(O)CCN(C(=O)/C=C\c2ccc(O)c(O)c2)C1	779335697	KAJOIJIEBOMTPO-ZDTYVGOBSA-N	277.320	1.484	10	20	CDCD	
CCN(CC(=O)O)C(=O)NCc1ccc(N(C)C)cc1C	780577796	SLGGYHGFCMXHKD-UHFFFAOYSA-N	293.367	1.677	10	20	CDCD	
CON(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	899104199	QRZGKXYQRLYOET-CQSZACIVSA-N	294.399	1.558	10	20	CDCD	
CO[C@H]1CN(Cc2cc(Cl)cc(F)c2O)CCO1	895969046	VUJGLTRGJXYFCS-LLVKDONJSA-N	275.707	1.989	10	20	CDCD	
C[C@@H](N[C@@H]1CCN(C2CC2)C1=O)c1ccccc1O	708712067	GHQDXZZQHXBUDI-ZWNOBZJWSA-N	260.337	1.806	10	20	CDCD	
C[C@@H]1OCCN(C(=O)c2cccc(O)c2O)[C@H]1C	193137474	VCYNZSBBIIDNFI-IUCAKERBSA-N	251.282	1.347	10	20	CDCD	
COC(=O)[C@H](C)NCc1cc(Cl)cc(F)c1O	793182047	HVAPMNKZCBOUOX-LURJTMIESA-N	261.680	1.836	10	20	CDCD	
COc1ccc(CNC(=O)NCC(C)(C)OC)c(O)c1	792960434	NEQZKBZQKXVFFX-UHFFFAOYSA-N	282.340	1.625	10	20	CDCD	
CC1(C(=O)O)CN(Cc2ccc(Cl)cc2O)C1	1604502552	GMFHENZCMLJESQ-UHFFFAOYSA-N	255.701	1.952	10	20	CDCD	
C[C@H]1CCN(C(=O)NCc2ccc(N)cc2)[C@@H]1CO	1335738259	YALCHWFAGJZLOW-GXFFZTMASA-N	263.341	1.181	10	20	CDCD	
CC(C)c1ncc(C(=O)NCc2ccc(O)c(O)c2)[nH]1	1337396078	NZMSGSBKGHIBHN-UHFFFAOYSA-N	275.308	1.874	10	20	CDCD	
CC1(C)[C@@H](O)C[C@@H]1NC(=O)NCc1ccc(N)cc1	1335736725	GYLHHHBYUONWFL-RYUDHWBXSA-N	263.341	1.227	10	20	CDCD	
COCCN(C)CCCNCc1cc(F)cc(F)c1O	1336932992	CFLAXRPDNUDQDO-UHFFFAOYSA-N	288.338	1.728	10	20	CDCD	
CO[C@@]1(C)C[C@H]1N[C@H](C)c1cc(C(=O)O)ccc1O	1607002289	DFWTUGQEXMDFAB-RGZBUGHASA-N	265.309	1.918	10	20	CDCD	
COc1ccc(N(C)Cc2cncc(-c3nn[nH]n3)c2)cc1	1591609045	ZIPYRDVTBYHXRS-UHFFFAOYSA-N	296.334	1.907	10	20	CDCD	
CC[C@@H](NC/C=C\CO)c1cccc(-c2nn[nH]n2)c1O	1590467358	PSVBLJFCMNRJTO-VSQXVHSFSA-N	289.339	1.162	10	20	CDCD	
COC[C@H](C)OC[C@@H](O)CNc1ccccc1OC	234765259	HNSGURNXVQLIHX-RYUDHWBXSA-N	269.341	1.520	10	20	CDCD	
CS(=O)(=O)C[C@@H]1CCCCN1Cc1ccccc1O	824914133	MKFFBGVLDNLDJQ-ZDUSSCGKSA-N	283.393	1.791	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)C1(C(=O)O)CCC1	852948031	SPXOEXWOLDNMEK-UHFFFAOYSA-N	263.293	1.606	10	20	CDCD	
CC[C@H](O)Cn1cc(COc2ccc(N)cc2)nn1	864653249	UBVRVMMSMXPKRY-LBPRGKRZSA-N	262.313	1.210	10	20	CDCD	
C[C@@H](NCCCOCCO)c1ccc(N(C)C)cc1	180242154	ISADAMCZSNOBQM-CYBMUJFWSA-N	266.385	1.802	10	20	CDCD	
C[C@H](CO)NCc1c(O)cccc1Br	706821357	DDSXELVZBHSBTI-SSDOTTSWSA-N	260.131	1.625	10	20	CDCD	
C[C@@H](NC[C@]1(O)CCOC1)c1ccc(N(C)C)cc1	90849199	XHUVHNHPMJETER-IUODEOHRSA-N	264.369	1.555	10	20	CDCD	
CN(C)CCCC(C)(C)NC(=O)c1cccc(O)c1O	387122383	KPLQOHCFJPSDNG-UHFFFAOYSA-N	280.368	1.948	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)NC[C@H](C)O)cc1	57464374	UMWDCBJMAOWQSV-LBPRGKRZSA-N	279.384	1.713	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)Cn1ccccc1=O	115490644	RDIHMTOHRDFFGF-UHFFFAOYSA-N	299.374	1.539	10	20	CDCD	
CSCCCNCc1cc2c(cc1O)OCO2	69432870	LVNVNGBZJKCUNF-UHFFFAOYSA-N	255.339	1.964	10	20	CDCD	
C[S@](=O)CCCNCc1ccc2c(c1)CCO2	116918241	HTNWMTKMNMWEDA-QGZVFWFLSA-N	253.367	1.480	10	20	CDCD	
C[C@H]1CS(=O)(=O)CCN1Cc1cc(F)ccc1O	180172451	COJUDXHEDNISTC-VIFPVBQESA-N	273.329	1.150	10	20	CDCD	
Cc1cc(NC(=O)/C=C/c2ccc(O)c(O)c2)n(C)n1	180675320	KVAJAXWXUABECW-GQCTYLIASA-N	273.292	1.792	10	20	CDCD	
CC(C)(O)[C@@H]1CCCN1C(=O)/C=C/c1ccc(O)c(O)c1	181237900	NHGJQGACPLDQEV-OWNNVSBGSA-N	291.347	1.873	10	20	CDCD	
CN1CCCc2cc(CNC(=O)C(C)(C)O)ccc21	188318691	ZAKINTLQZNXYIS-UHFFFAOYSA-N	262.353	1.456	10	20	CDCD	
COCCOCCN1CCN(c2ccc(OC)cc2)CC1	79384871	KZDJJDYLIQIRPD-UHFFFAOYSA-N	294.395	1.480	10	20	CDCD	
COc1cc(Cl)cc(CN(C)C[C@@H](C)N)c1O	379750549	KWQWSQGVDRSGOX-MRVPVSSYSA-N	258.749	1.833	10	20	CDCD	
Nc1ccc(CNC(=O)C(F)(F)C(F)F)cc1	236351108	DKISZYBOXJHONP-UHFFFAOYSA-N	250.195	1.785	10	20	CDCD	
COc1c(C(=O)NCc2ccccc2O)c(C)nn1C	269123561	GNRKRBWOPWZKJH-UHFFFAOYSA-N	275.308	1.373	10	20	CDCD	
CC(C)[C@H]1OCC[C@@H]1CNC(=O)Cc1ccc(N)cc1	262607621	CDBOFVDTLDMIKF-CZUORRHYSA-N	276.380	1.989	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2nncs2)c1	530184459	LIWYJQAMZMMWJH-SSDOTTSWSA-N	279.321	1.743	10	20	CDCD	
COC(=O)NCCCC(=O)NCc1cccc(OC)c1O	264479683	NBQYYZOVMBIMGR-UHFFFAOYSA-N	296.323	1.153	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)[C@H]1CCCN1C1CC1	279956328	SOTOUQCXUCXJKN-CYBMUJFWSA-N	290.363	1.383	10	20	CDCD	
Cc1ccc(C(=O)NCC2(C)CCOCC2)c(O)c1O	272767975	ROLXBCIBJBNMLY-UHFFFAOYSA-N	279.336	1.953	10	20	CDCD	
CN(C)c1ccc(CN(C(=O)c2cn(C)nn2)C2CC2)cc1	288320393	USTUPTJMIOWEDG-UHFFFAOYSA-N	299.378	1.686	10	20	CDCD	
CC(=O)C(=O)CSc1nnnn1-c1ccc(Cl)cc1	808012795	VRSVIDBGWWASJS-UHFFFAOYSA-N	296.739	1.566	10	20	CDCD	
CC(=O)C(=O)COC(=O)c1cccc(C)c1[N+](=O)[O-]	808484309	OGKJNXIBNWOJHT-UHFFFAOYSA-N	265.221	1.218	10	20	CDCD	
CCOc1ccc(CN(C)CCN(C)C)c(O)c1	809729402	HGTPMZWQRJRDSD-UHFFFAOYSA-N	252.358	1.784	10	20	CDCD	
Cc1n[nH]cc1CNC(=O)N(C)Cc1ccccc1O	298665589	FHMNTPBXAIVXLE-UHFFFAOYSA-N	274.324	1.765	10	20	CDCD	
CN(Cc1ccccc1O)c1nnc([C@@H]2CCOC2)n1C	809870439	LAWIAHBXMPFUMW-GFCCVEGCSA-N	288.351	1.661	10	20	CDCD	
CCCN[C@@H](C)C(=O)NCc1ccc(N(C)C)cc1	294803295	POXOYAVIKBPTJG-LBPRGKRZSA-N	263.385	1.757	10	20	CDCD	
CN(C)c1ccc(CN[C@H]2CCCN(CCCO)C2)cc1	295094068	JOPFGJKZDZRRTG-INIZCTEOSA-N	291.439	1.689	10	20	CDCD	
CON(C)C(=O)CCNCc1ccc(N(C)C)cc1	818941925	UGFWSRHRFJIXQM-UHFFFAOYSA-N	265.357	1.252	10	20	CDCD	
O=C(NCc1ccccc1O)[C@H]1CCCc2nn[nH]c21	816912298	RPZFGURDZXWRMW-JTQLQIEISA-N	272.308	1.247	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC[C@H]2CNCCCO2)c1	817981395	IWILPSZTYGILGQ-DGCLKSJQSA-N	280.368	1.430	10	20	CDCD	
Oc1cc(F)c(Cl)cc1CN1C[C@@H]2CNC[C@H]2C1	816522350	VNIJSEAOQWQZAL-UWVGGRQHSA-N	270.735	1.836	10	20	CDCD	
CC[C@H](NCCCN1CCNCC1)c1ccc(F)cc1O	817935606	KARMZMTVZNHZAU-HNNXBMFYSA-N	295.402	1.867	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CCN[C@@H]2C)c1	828667214	OCQUQBNZVACNQN-SCVCMEIPSA-N	278.352	1.576	10	20	CDCD	
C[C@H]1CCCN(C(=O)COC(=O)c2cc(O)cs2)C1	731910227	PFZYSHRTLHSOPD-VIFPVBQESA-N	283.349	1.869	10	20	CDCD	
O=C(NCc1c(O)cccc1F)[C@H]1CC[C@@H](C(=O)O)C1	902852877	FQEMWLJXXSMMHF-DTWKUNHWSA-N	281.283	1.648	10	20	CDCD	
COc1cc(O)ccc1NS(=O)(=O)C[C@@H](C)OC	901704768	WZMCFXIGJMFKPW-MRVPVSSYSA-N	275.326	1.177	10	20	CDCD	
O=C(c1cccc2c1CCNC2)N1CCCn2nccc21	662789514	YKJWGPQHIYMPPL-UHFFFAOYSA-N	282.347	1.579	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)c1cnc2n1CCC2	830531756	MLAHQSMYPDMFLQ-UHFFFAOYSA-N	287.319	1.213	10	20	CDCD	
COC(=O)[C@@H]1CCN(C(=O)c2c(F)ccc(O)c2O)[C@@H]1C	830082747	QFYHVPYQICZSGL-HTQZYQBOSA-N	297.282	1.261	10	20	CDCD	
CC[C@@H](COC)NC(=O)NCCc1ccc(N)cc1	841830648	KMVKVVPUMYHMBQ-ZDUSSCGKSA-N	265.357	1.536	10	20	CDCD	
OC[C@@H]1CN(Cc2c(O)ccc(Cl)c2F)CC[C@@H]1O	840974912	JKTPWQBGOJVCFM-KWQFWETISA-N	289.734	1.360	10	20	CDCD	
Nc1ccc(CCNC(=O)[C@@H]2CCc3ncncc3C2)cc1	843343523	YHJVPFXTPNZDSA-CYBMUJFWSA-N	296.374	1.523	10	20	CDCD	
CCO[C@@H](CC)C(=O)N(CC(=O)O)Cc1ccccc1O	911485680	JXYDMJYHOMPYNK-ZDUSSCGKSA-N	295.335	1.621	10	20	CDCD	
CC(C)(C)N1C[C@H](CNC(=O)c2cc(O)cs2)CC1=O	856098925	WBGQNWPFQNHIPC-VIFPVBQESA-N	296.392	1.831	10	20	CDCD	
CN(C)c1ccc(CNCCOCCF)cc1F	853091430	HLGARDDHXVHZFW-UHFFFAOYSA-N	258.312	1.967	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)N[C@@H]2CCOC2)c1	858315931	ZQINEBQPZCDNRO-LLVKDONJSA-N	250.298	1.289	10	20	CDCD	
CC[C@@H](CNC(=O)NCc1cc(C)ccc1O)OC	858471880	VIDQTTVCRNZANI-LBPRGKRZSA-N	266.341	1.925	10	20	CDCD	
Cc1ccc(CN2CC[C@H](C)C[C@H]2C(N)=O)c(O)c1	877437049	UEXIIDUHKLCDNO-AAEUAGOBSA-N	262.353	1.786	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)NCc1cccc(O)n1	779548724	XNNLBUFUBFANGJ-ALCCZGGFSA-N	286.287	1.528	10	20	CDCD	
C[C@@H](NC[C@H](O)COC[C@@H]1CCCO1)c1ccccc1O	879648765	CSQOIHCSMPWWDU-RDBSUJKOSA-N	295.379	1.599	10	20	CDCD	
COc1ccc2c(c1)CCN2Cc1cc(C(=O)O)nn1C	874036666	KPQGAQLIFQGJKE-UHFFFAOYSA-N	287.319	1.690	10	20	CDCD	
O=C(CCCCO)NCCCSc1nccs1	771507859	CFSZRYIDNFIVGW-UHFFFAOYSA-N	274.411	1.904	10	20	CDCD	
CC[C@@H](NC(C)=O)c1nc(Cc2ccc(N)cc2)no1	872171824	XSXBJGRIODVGQP-GFCCVEGCSA-N	274.324	1.830	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@H]2CO[C@@H](C)C2)c1	784443454	STIQTXIGYTXRQU-GXSJLCMTSA-N	265.309	1.442	10	20	CDCD	
CCO[C@@H]1C[C@H](NCc2cc(F)cc(F)c2O)[C@@H]1OC	894466946	QFMNWUMNPWWEOQ-SCRDCRAPSA-N	287.306	1.952	10	20	CDCD	
CCN1C[C@@H](NCc2cc(C)cc(OC)c2O)CC1=O	894900764	OJRWMGYJSUXULQ-LBPRGKRZSA-N	278.352	1.420	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2cncc(OC)n2)c1	790787477	FRMJZWVHXOVKKX-UHFFFAOYSA-N	289.291	1.129	10	20	CDCD	
CCN1CCC(NCc2ccc(OC)c(OC)c2O)CC1	892431914	FXOKDSBAXWXCCP-UHFFFAOYSA-N	294.395	1.983	10	20	CDCD	
Cc1cc(O)ccc1NS(=O)(=O)C[C@H]1CCCOC1	795324615	NCTLBZKKARWJNP-NSHDSACASA-N	285.365	1.869	10	20	CDCD	
COc1ccc(CNC(=O)c2cnn3ncccc23)c(O)c1	794387497	JWKKIGCJCFJDSW-UHFFFAOYSA-N	298.302	1.374	10	20	CDCD	
CN(C)c1ccc(CNS(=O)(=O)c2ccoc2)cc1F	795813144	RDBVVJOBBFDREG-UHFFFAOYSA-N	298.339	1.963	10	20	CDCD	
OC[C@@H](CNCc1cc(Cl)ccc1O)[C@H]1CCOC1	795582093	ICFSLICDAABHFW-CMPLNLGQSA-N	285.771	1.780	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)C[C@H]1CSCCN1	91136862	AZKZYSMPCGFCFY-LBPRGKRZSA-N	280.393	1.446	10	20	CDCD	
COc1cccc(O)c1CN1CC[C@@](OC)(C(=O)O)C1	1607326849	UHDFXZFVBXXEGV-AWEZNQCLSA-N	281.308	1.076	10	20	CDCD	
CCC[C@@H](O)CCNC(=O)NCCc1ccc(N)cc1	1335551461	MICXBCDIRWRNSB-CQSZACIVSA-N	279.384	1.662	10	20	CDCD	
COc1ccc(CNC[C@@H]2CCCS2(=O)=O)cc1C	212583873	JCZVUFFNEKIHTH-ZDUSSCGKSA-N	283.393	1.670	10	20	CDCD	
C[C@H](O)[C@H](NCc1ccc(N2CCCCC2)cc1)C(=O)O	1334089019	NMNMAPIIDICFCP-WFASDCNBSA-N	292.379	1.601	10	20	CDCD	
CN1CCC[C@H](N2CCN(Cc3ccc(N)cc3)CC2)C1	1345160078	QSJVWVMOICYDAD-KRWDZBQOSA-N	288.439	1.481	10	20	CDCD	
O=C(O)Cn1cc(CNCc2cccc(Cl)c2O)nn1	1608797731	VTIJNTZIMPEIMO-UHFFFAOYSA-N	296.714	1.012	10	20	CDCD	
O=C(O)C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)C1CC1	1601900706	PPFKVDJAXAHRAI-SNVBAGLBSA-N	279.292	1.010	10	20	CDCD	
O=C(O)c1ccc(C(=O)NCc2ccc(O)c(O)c2)nc1	1608874584	LKFJZEAJZOVJLG-UHFFFAOYSA-N	288.259	1.121	10	20	CDCD	
Cc1ccc(C(=O)NC[C@@H](C(=O)O)C(C)C)c(O)c1O	1574356699	FPDAYUARGSTWGA-SNVBAGLBSA-N	281.308	1.493	10	20	CDCD	
CCc1noc(COCC(=O)Nc2ccc(N)cc2)n1	1578336375	MGQDFVUVCLBCEC-UHFFFAOYSA-N	276.296	1.370	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCN[C@@H]2C[C@H]21	1579617341	NUAJHXFCDRVNCY-HUUCEWRRSA-N	288.395	1.317	10	20	CDCD	
C[C@H](NCc1ccc(-c2nn[nH]n2)cn1)c1ccccc1O	1589968757	VJFDQBXUDBOCMZ-JTQLQIEISA-N	296.334	1.818	10	20	CDCD	
CC(C)(CCO)CNCc1cc2c(cc1O)OCO2	231399718	BSTDTSIQJRFQKO-UHFFFAOYSA-N	267.325	1.619	10	20	CDCD	
Oc1cccc(O)c1CNc1ccc(-c2nn[nH]n2)cn1	1582816465	LZXNMZCFJPASIO-UHFFFAOYSA-N	284.279	1.285	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)CC(=O)O)c1	1599598202	HYBWHTNJPJNKMJ-SSDOTTSWSA-N	253.254	1.053	10	20	CDCD	
COc1c(NCc2c(O)cccc2O)ncnc1C(=O)O	1599344431	JYJZESKJEOMCTD-UHFFFAOYSA-N	291.263	1.207	10	20	CDCD	
CCOc1cccc(CN[C@H]2CCS(=O)(=O)C2)c1O	19899959	WSWOPARICKAGQD-NSHDSACASA-N	285.365	1.068	10	20	CDCD	
CS(=O)(=O)[C@H]1CCC[C@@H](NCc2ccccc2O)C1	77458054	QLPZILQWGLVOHX-OLZOCXBDSA-N	283.393	1.838	10	20	CDCD	
COC1(C(=O)NCCc2ccc(N)cc2)CCCC1	691996996	WRDQIMQBBVVGJE-UHFFFAOYSA-N	262.353	1.887	10	20	CDCD	
OC[C@@H](C[C@H]1CCCO1)NCc1ccc2c(c1)CCO2	886228641	CMMUOXPCCUDZMB-HUUCEWRRSA-N	277.364	1.641	10	20	CDCD	
COc1ccc(O)c(CN(CC(N)=O)C(C)C)c1	133014669	XJCYHJOYAHGUTN-UHFFFAOYSA-N	252.314	1.097	10	20	CDCD	
O=C(NCc1ccc(N2CCOCC2)cc1)N1CCCC1	53752787	AYCNVFSJDFBCND-UHFFFAOYSA-N	289.379	1.829	10	20	CDCD	
COc1cccc(CNCCOCC2CC2)c1O	224528108	OOHXDKZOYKGKEM-UHFFFAOYSA-N	251.326	1.917	10	20	CDCD	
COc1cc(O)c(CN2CC[C@@H](CN(C)C)C2)cc1OC	179444415	POWFHNUYDCOMMM-LBPRGKRZSA-N	294.395	1.793	10	20	CDCD	
O=S(=O)(C[C@@H]1CCCO1)Nc1ccc(O)cc1	63156123	HDAUJIYVESBEED-NSHDSACASA-N	257.311	1.313	10	20	CDCD	
C[C@H](O)CCNCc1cc(Cl)cc([N+](=O)[O-])c1O	304112145	GLDWNTNHXZYGLV-ZETCQYMHSA-N	274.704	1.814	10	20	CDCD	
COc1cccc(CNC(=O)C(F)(F)C(F)F)c1O	178248631	MSEWFUJUJSZIOC-UHFFFAOYSA-N	281.205	1.917	10	20	CDCD	
O=C(O)[C@H]1COCCN1Cc1c(O)cccc1Cl	128833374	VBNRYWDLUCZJMT-SNVBAGLBSA-N	271.700	1.331	10	20	CDCD	
CN(Cc1ccccc1O)C[C@H](O)Cn1cccn1	171926514	WVAIEUUOOVJRIC-ZDUSSCGKSA-N	261.325	1.082	10	20	CDCD	
Oc1c(Cl)cccc1CNCC1(O)CCOCC1	124797693	CDXILBOFVOOLEH-UHFFFAOYSA-N	271.744	1.677	10	20	CDCD	
COc1ccc(O)c(CNC(=O)CCCC(C)=O)c1	184985995	TUHPOJMFMLFVLM-UHFFFAOYSA-N	265.309	1.776	10	20	CDCD	
O=C(N[C@H]1CCCC[C@@H]1O)c1cccc(O)c1O	126382122	YNZQVYNKTDSVIN-UWVGGRQHSA-N	251.282	1.131	10	20	CDCD	
COc1cccc(CN[C@H]2C[C@H](O)C2(C)C)c1O	128095485	YTJODJUYRQFZQA-RYUDHWBXSA-N	251.326	1.650	10	20	CDCD	
CCN(CC(=O)NCc1cc(OC)ccc1O)C1CC1	136026398	WMHWPMHUMVRPFB-UHFFFAOYSA-N	278.352	1.501	10	20	CDCD	
Nc1ccc(CC(=O)N[C@@H]2COc3ccccc3C2)cc1	237913635	WFHILBGUXLMHMA-HNNXBMFYSA-N	282.343	1.931	10	20	CDCD	
Cc1c(CNC(=O)N=c2ncn(C)[nH]2)n(C)c2ccccc12	455586010	PMBOVFAWXDOTGH-UHFFFAOYSA-N	298.350	1.359	10	20	CDCD	
CC(C)C(=O)NCCN(C)C(=O)c1c(F)ccc(O)c1O	276506613	AMUZODFYODVOON-UHFFFAOYSA-N	298.314	1.081	10	20	CDCD	
CCOC(=O)[C@H]1CCCN1Cc1cc2c(cc1O)OCO2	274407612	ZEFQWGUEAMSZLP-LLVKDONJSA-N	293.319	1.648	10	20	CDCD	
COC(=O)[C@H]1COCCN1Cc1ccc(N(C)C)c(F)c1	271202304	UQANXEXZZDIGIM-CQSZACIVSA-N	296.342	1.266	10	20	CDCD	
CCC[C@](C)(NC(=O)c1ccc(C)c(O)c1O)C(=O)OC	271335606	ZMUXQJSDWNKBKX-HNNXBMFYSA-N	295.335	1.868	10	20	CDCD	
O=C1NCCN1[C@H]1CCCN(Cc2ccccc2O)C1	378381685	XDJTYSGWGZRIIK-ZDUSSCGKSA-N	275.352	1.382	10	20	CDCD	
CN1CCC[C@H](N2CCN(Cc3ccccc3O)CC2)C1	374286025	WLYQJGLMUPWSJV-INIZCTEOSA-N	289.423	1.604	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N[C@H]1CCc2c[nH]nc2C1	378544759	SVQNKOQDUBSBLU-QSLRECBCSA-N	299.330	1.508	10	20	CDCD	
COc1cc(O)c(CN2CCOC[C@H](C)C2)cc1OC	371365378	DPEAHDNEGZMSSN-LLVKDONJSA-N	281.352	1.878	10	20	CDCD	
Cc1ncccc1CC(=O)NCCc1ccc(O)c(O)c1	286758447	MICVNHBRRQQSGL-UHFFFAOYSA-N	286.331	1.703	10	20	CDCD	
Cc1cccc(CN[C@H](C)C(=O)NCCF)c1O	282822144	UDWNUFHBVVONKE-SNVBAGLBSA-N	254.305	1.264	10	20	CDCD	
CCOc1ccc(O)c(CNC[C@H](CO)[C@@H]2CCOC2)c1	280315872	OVFQZDCUUMITDZ-TZMCWYRMSA-N	295.379	1.526	10	20	CDCD	
COc1ccc(O)c([C@@H]2NC(=O)CN2CC(C)C)c1	298795787	SXMQRAPOEQWDKY-CQSZACIVSA-N	264.325	1.487	10	20	CDCD	
COC1(C)CCN(C(=O)c2c(F)ccc(O)c2O)CC1	297667301	ZNOBXFZKULREGZ-UHFFFAOYSA-N	283.299	1.878	10	20	CDCD	
CCN(C)c1ccc([C@@H](C)N[C@@H]2COC[C@H]2O)cc1	296044859	USIDXHGKFDBKAN-KCPJHIHWSA-N	264.369	1.553	10	20	CDCD	
O=C(Cn1nnc2c1CCCC2)NCc1ccccc1O	816911855	BEUUZAAGWPWYHN-UHFFFAOYSA-N	286.335	1.179	10	20	CDCD	
CCOc1ccc(O)c(CN2C[C@@H]3CCN(C)[C@@H]3C2)c1	824893604	WOHJNKSDRAPGRE-SWLSCSKDSA-N	276.380	1.927	10	20	CDCD	
CN(C)CCCCC(=O)NCc1ccccc1O	729529977	QYSZOISLIMNPFF-UHFFFAOYSA-N	250.342	1.740	10	20	CDCD	
CCN1C[C@@H](NCc2cc(C)c(C)cc2O)CC1=O	824886734	JXYWENDSOAAFHH-ZDUSSCGKSA-N	262.353	1.719	10	20	CDCD	
COc1cc(O)ccc1NS(=O)(=O)N1CCC[C@H]1C	901703134	CBEXAEYFRIBSJE-SECBINFHSA-N	286.353	1.542	10	20	CDCD	
CCOc1ccc(O)c(CNC[C@H]2CCOC[C@H]2OC)c1	824708988	LQHGQQTZDPVIKQ-MLGOLLRUSA-N	295.379	1.932	10	20	CDCD	
COc1ccc(O)c(CNCc2ccc(C(=O)O)o2)c1	833733907	VHXGGGRNYXBLHQ-UHFFFAOYSA-N	277.276	1.982	10	20	CDCD	
COC[C@@H](OC)C(=O)NCc1c(O)ccc2c1CCCC2	830559962	XZGAKUZURKVOMI-OAHLLOKOSA-N	293.363	1.549	10	20	CDCD	
CCNC(=O)CCCC(=O)NCc1ccc(O)cc1O	910954186	JIPOGHQFHUHODJ-UHFFFAOYSA-N	280.324	1.020	10	20	CDCD	
Cc1cc(O)c(CN2CC[C@@H](O)[C@H](CO)C2)cc1C	840974880	JAGLFJHEMQUCME-UONOGXRCSA-N	265.353	1.184	10	20	CDCD	
Cn1cc(C(=O)NCc2ccc(O)cc2O)c(C2CC2)n1	910944985	RIOSUYKNEROHBT-UHFFFAOYSA-N	287.319	1.639	10	20	CDCD	
CN(C)CCN(C[C@H]1CCCO1)C(=O)c1cc(O)cs1	748322490	YWCDEHSTSBXYTP-GFCCVEGCSA-N	298.408	1.637	10	20	CDCD	
CN(Cc1ccn(C)n1)c1ccc(OCC(=O)O)cc1	846279365	APSZZAVRKZKSIZ-UHFFFAOYSA-N	275.308	1.520	10	20	CDCD	
C[C@H](CO)C1CCN(C(=O)Cc2ccc(N)cc2)CC1	846696280	DTCWLIIERARWDT-GFCCVEGCSA-N	276.380	1.678	10	20	CDCD	
COc1cc(O)c(CN[C@@H](C)[C@@H]2CCCNC2)cc1OC	841033657	RAPGPHALVQWEQE-NWDGAFQWSA-N	294.395	1.887	10	20	CDCD	
COCCN(CCOC)C(=O)NCCc1ccc(N)cc1	841961256	DJPUUWSXRHBSNU-UHFFFAOYSA-N	295.383	1.116	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1CCO[C@H](CN)C1	843066348	VIMRIANYSCNRIL-OAHLLOKOSA-N	263.385	1.221	10	20	CDCD	
Cn1c(C(=O)NCc2cc(Cl)ccc2O)cccc1=O	857547362	AIIZUEMGXVMCRM-UHFFFAOYSA-N	292.722	1.674	10	20	CDCD	
COc1ccc(N(C)Cc2nncn2C)cc1OC	750522689	UDHRWFHHFURUKR-UHFFFAOYSA-N	262.313	1.469	10	20	CDCD	
CC1(CCNC(=O)NCc2ccccc2O)OCCO1	759331588	SHINVWBLQJUNEP-UHFFFAOYSA-N	280.324	1.345	10	20	CDCD	
CNC[C@@H](C)NC(=O)N(C)Cc1ccccc1O	851680598	IQKIXNTZLVBUNH-SNVBAGLBSA-N	251.330	1.142	10	20	CDCD	
CO[C@H]1C[C@H](NC(=O)NCc2cc(C)ccc2O)C1	858983069	YHPDUCQTPNIDSM-HAQNSBGRSA-N	264.325	1.677	10	20	CDCD	
O=C(NCc1cc(Cl)ccc1O)[C@H](O)C1CC1	855023432	YRIYLLXHGRTHRL-LLVKDONJSA-N	255.701	1.433	10	20	CDCD	
C[C@@H]1CN(C(=O)/C=C\c2cn(C)cn2)c2cccnc2O1	935379708	FWSPTPDPLKVSIU-ISALQUGTSA-N	284.319	1.642	10	20	CDCD	
COCCOC[C@@H]1CCN(Cc2c(O)cccc2OC)C1	769508456	QQWFGLYIOBTYRG-CYBMUJFWSA-N	295.379	1.886	10	20	CDCD	
CNC(=O)[C@H]1CCC[C@H]1NCc1ccc(N(C)C)c(F)c1	765797232	QXHOGQAVJAMONY-GXTWGEPZSA-N	293.386	1.896	10	20	CDCD	
Cc1ccc(CN2C[C@H](C)O[C@@H](CO)C2)c(O)c1	877466219	FGYKVQZFJSJWHD-WCQYABFASA-N	251.326	1.282	10	20	CDCD	
CCON(C)C(=O)C(=O)NCc1ccc(N(C)C)cc1C	1117397884	VFTJVOFJENCSAQ-UHFFFAOYSA-N	293.367	1.087	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNC2CSC2)c1O	877634780	UAOBBJXRQRNMKC-UHFFFAOYSA-N	270.310	1.514	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNCCOC2CCC2)c1O	775030913	WUXSFALXINYIAX-UHFFFAOYSA-N	296.323	1.968	10	20	CDCD	
Cc1cccc(O)c1CN1CCc2nnc(O)cc2C1	877413667	PWCPJEPIUDZCOV-UHFFFAOYSA-N	271.320	1.755	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)NCCc1ncc[nH]1	779514850	OIJFJUWEAHCICH-RQOWECAXSA-N	273.292	1.193	10	20	CDCD	
COc1ncc(/C=C\C(=O)N(C)c2c(C)noc2C)cn1	775872058	MMULZTHJHBBFOV-WAYWQWQTSA-N	288.307	1.766	10	20	CDCD	
CO[C@@H](C)CNCc1ccc(N2CCOCC2)c(F)c1	785558296	DZXRAZGBDDQTMB-LBPRGKRZSA-N	282.359	1.787	10	20	CDCD	
Cc1nc2n(n1)C[C@@H](NCc1cc(F)cc(F)c1O)CC2	882961422	NCUAMEUXKYQTLD-NSHDSACASA-N	294.305	1.675	10	20	CDCD	
CC(=O)CSCC(=O)N(C)Cc1ccccc1O	787426650	RWZZYYBOYPFKKC-UHFFFAOYSA-N	267.350	1.673	10	20	CDCD	
COc1ccc(CNCC(C)(C)N(C)C)c(O)c1OC	892431228	BZOQAOWIMDSBOJ-UHFFFAOYSA-N	282.384	1.839	10	20	CDCD	
COc1ccc(CNC(=O)c2coc(C(N)=O)c2)c(O)c1	794388603	YPBKAMVGPHDDQM-UHFFFAOYSA-N	290.275	1.023	10	20	CDCD	
O=C1NCCC12CCN(Cc1cc(F)cc(F)c1O)CC2	895471479	XEYLJCXCUZRODS-UHFFFAOYSA-N	296.317	1.773	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)c1cc(C2CC2)no1	799698433	WYNCWTTUNOIMPJ-UHFFFAOYSA-N	288.303	1.936	10	20	CDCD	
C[C@@H](CS(C)(=O)=O)NCc1ccc2c(c1)CCCN2C	81901612	WJXAUZNSWVLDRW-LBPRGKRZSA-N	296.436	1.592	10	20	CDCD	
C[C@H]1CC(=O)NCCN1Cc1ccc(N2CCCC2)cc1	1327419250	GYRBDHXFWIUWEL-AWEZNQCLSA-N	287.407	1.997	10	20	CDCD	
Cc1ccc(C(=O)N2CCC[C@](C)(CO)C2)c(O)c1O	1320203240	PKOMRYQOUOBADR-HNNXBMFYSA-N	279.336	1.641	10	20	CDCD	
Nc1ccc(Cc2noc([C@H]3CCS(=O)(=O)C3)n2)cc1	1261483618	YJGUASDGYFPTEG-JTQLQIEISA-N	293.348	1.145	10	20	CDCD	
Cc1nc([C@H](C)NC(=O)NCc2ccccc2O)no1	1342099818	PZLMGVQAXABXEQ-QMMMGPOBSA-N	276.296	1.644	10	20	CDCD	
COc1ccc(CNC(=O)[C@@H]2C[C@@H]3CC[C@H]2N3)c(O)c1	1341824567	JACWUQFQPOQVMB-CYZMBNFOSA-N	276.336	1.158	10	20	CDCD	
CO[C@@H](CNC(=O)NCc1ccc(N)cc1)C(C)C	1353366805	NBMWWDKCZLYRAN-ZDUSSCGKSA-N	265.357	1.739	10	20	CDCD	
Cc1ccc(C(=O)N2CC[C@H](C(=O)O)[C@H](C)C2)c(O)c1O	1605246798	APNRVHPBAJTTBG-ZJUUUORDSA-N	293.319	1.589	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC[C@@H](C)C(=O)O	1605187446	YBVBRRXFKGWKMA-LLVKDONJSA-N	250.342	1.871	10	20	CDCD	
O=C(O)[C@@H]1CN(Cc2c(O)ccc(Cl)c2F)CCO1	1601848180	FRWCUJSPWPHABJ-JTQLQIEISA-N	289.690	1.470	10	20	CDCD	
Cc1cc(O)c(CN2CCO[C@@H]([C@@H](C)N)C2)cc1Cl	1579638504	ZTVMHHSFQFLUMJ-QMTHXVAHSA-N	284.787	1.902	10	20	CDCD	
Oc1cccc(Br)c1CN[C@H]1CNOC1	1580888630	SOLPEZUFSUBFPM-ZETCQYMHSA-N	273.130	1.148	10	20	CDCD	
COc1cc(C)cc(CNCC2(C(=O)O)CC2)c1O	1599392610	OWHMJPDEAFMDKZ-UHFFFAOYSA-N	265.309	1.664	10	20	CDCD	
O=C(O)c1cc(NC(=O)c2cc(O)cs2)n[nH]1	1595210576	ZAYXDAQJVIJTAJ-UHFFFAOYSA-N	253.239	1.127	10	20	CDCD	
COc1ccc(CN2CCC[C@H]2CC(=O)O)c(O)c1OC	1599561239	HZGVVLQUYUHFDU-NSHDSACASA-N	295.335	1.849	10	20	CDCD	
COC[C@@]1(C(=O)O)CCCN1Cc1cccc(C)c1O	1599192765	KNGYSKVUTKYOPC-OAHLLOKOSA-N	279.336	1.766	10	20	CDCD	
C[C@@H](NCCC1(CN)CC1)c1cc(C(=O)O)ccc1O	1593262564	SURWCSURDBQFAG-SNVBAGLBSA-N	278.352	1.870	10	20	CDCD	
COc1cccc(CNC(=O)NCc2ccccn2)c1O	158354040	FNIAXRKLYMHRCR-UHFFFAOYSA-N	287.319	1.795	10	20	CDCD	
Cc1ccc(CNCCCS(C)(=O)=O)c(O)c1	877017647	VODIXVBOMQNAOK-UHFFFAOYSA-N	257.355	1.225	10	20	CDCD	
NC[C@H]1CCCC[C@H]1NC(=O)Cc1ccc(N)cc1	262627437	MENCRLWJAMNRGP-TZMCWYRMSA-N	261.369	1.445	10	20	CDCD	
COc1ccc(N(C)Cc2nc(C(C)(C)N)no2)cc1	49969907	DMQZJAYLUCADOZ-UHFFFAOYSA-N	276.340	1.908	10	20	CDCD	
CCN(CCNC(=O)c1cccc(O)c1O)C1CC1	187063039	XXBXJOPYBPIEMW-UHFFFAOYSA-N	264.325	1.312	10	20	CDCD	
CNC(=O)[C@@H](C)CN(C)Cc1cc(F)cc(F)c1O	708412506	IBNBNILNDWYURN-QMMMGPOBSA-N	272.295	1.484	10	20	CDCD	
CCc1cccc(CNCC(C)(C)OCCO)c1O	691445965	MNXGTGIXICUMQS-UHFFFAOYSA-N	267.369	1.832	10	20	CDCD	
CCc1cccc(CNCC(=O)NCC2CC2)c1O	691457018	YJNVCQKRICXLBL-UHFFFAOYSA-N	262.353	1.570	10	20	CDCD	
COc1ccc(N(C)C[C@@H](O)CN(C)C2CC2)cc1	388372104	PRWIVVQWIXPVLB-AWEZNQCLSA-N	264.369	1.587	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CCNC(=O)C2(C)C)c1O	106358974	FDNCMHLYLZGGQM-UHFFFAOYSA-N	294.326	1.444	10	20	CDCD	
Nc1ccc(CNC(=O)N2CC[C@@]3(CCOC3=O)C2)cc1	1346740251	ZQOOPJBYJVBJPX-OAHLLOKOSA-N	289.335	1.117	10	20	CDCD	
C[C@@H](CCO)NC(=O)NCc1ccc(N(C)C)cc1	121072679	KGGHMEOLIMIHRZ-NSHDSACASA-N	265.357	1.323	10	20	CDCD	
CN(CCN1CCOCC1)Cc1ccc(N(C)C)c(F)c1	130718782	KGVHSKIAFOIMSP-UHFFFAOYSA-N	295.402	1.656	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2cnc(S)[nH]2)cc1F	193068756	YOKHQQCMANWOJN-UHFFFAOYSA-N	294.355	1.834	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)c1cn2cccnc2n1	80133758	PTZGAUUTHIIQRD-UHFFFAOYSA-N	282.303	1.707	10	20	CDCD	
Nc1ccc(CC(=O)NCc2ccc3c(c2)OCCO3)cc1	194274630	WPUHKSHYNIHSOA-UHFFFAOYSA-N	298.342	1.899	10	20	CDCD	
Cc1ccc(O)c(CNc2nc3ncccn3n2)c1	195034532	AQNQDCJEMPIFSO-UHFFFAOYSA-N	255.281	1.750	10	20	CDCD	
Cc1ccc(C)n1-c1ccc(C(=O)NCCO)cc1	98066940	BEZXEWXOPVYJLN-UHFFFAOYSA-N	258.321	1.816	10	20	CDCD	
CCN(C)C[C@H](O)CN(C)Cc1ccccc1O	821391135	IANBDYXADWPCAT-ZDUSSCGKSA-N	252.358	1.137	10	20	CDCD	
COc1cccc(CNC(=O)[C@@H](C)n2cccn2)c1O	264252107	GVIRYXILDSHXBP-SNVBAGLBSA-N	275.308	1.475	10	20	CDCD	
COc1cccc(CNC(=O)NC[C@H]2CCSC2)c1O	279326028	PTTGLGLAZDFYQD-SNVBAGLBSA-N	296.392	1.953	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@H](CCO)C(C)C)c1O	278497161	MTQGJRQLRUTQGV-LLVKDONJSA-N	298.339	1.806	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)N[C@@H](C)CO)c1	273590057	OWFADLYZECOYNP-DTWKUNHWSA-N	253.298	1.210	10	20	CDCD	
Cc1ccc(C(=O)N(C)[C@@H]2CCC[C@H]2O)c(O)c1O	288228753	DDRVOAMTEIFBDZ-GHMZBOCLSA-N	265.309	1.392	10	20	CDCD	
Cc1ccc(O)c(CN[C@@H]2CCCN(CCCO)C2)c1	295209912	ZXEARSCRODZPOX-OAHLLOKOSA-N	278.396	1.637	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)[C@@H](CN)OC)cc1F	290211804	SCXAOPCBTMLIAH-CQSZACIVSA-N	297.374	1.262	10	20	CDCD	
C[C@@H](OC[C@H]1CCCO1)C(=O)NCc1ccc(N)cc1	297136464	HUEYVXKTNNSGEJ-BXUZGUMPSA-N	278.352	1.469	10	20	CDCD	
Cc1cc(CNC(=O)c2cc(O)cs2)n(C)n1	807509203	RWVYYJDELWHGPC-UHFFFAOYSA-N	251.311	1.426	10	20	CDCD	
CN1CC[C@@H]1CNCc1c(O)cccc1Br	712572389	NPRYCFKHEALFTJ-SECBINFHSA-N	285.185	1.948	10	20	CDCD	
CN(Cc1ccccc1O)S(=O)(=O)CCOCC1CC1	819875851	LTGSNIYTGUVSIO-UHFFFAOYSA-N	299.392	1.580	10	20	CDCD	
COc1ccc(N2CC[C@H](CN[C@H](C)CC(N)=O)C2)cc1	818345796	YCZBHTOQWBCXKV-CHWSQXEVSA-N	291.395	1.375	10	20	CDCD	
COC[C@@]1(CN[C@H](C)c2cc(F)ccc2O)CCCN1	817974927	OKKPUWCRXDYFPX-ABAIWWIYSA-N	282.359	1.951	10	20	CDCD	
O=C(NCC[C@]1(O)C[C@H]2CC[C@H]1C2)c1cccc(O)c1O	816803970	MSIULCLTYBJEGC-MMPTUQATSA-N	291.347	1.769	10	20	CDCD	
CC(=O)N1CCCC[C@H]1C(=O)N[C@H](C)c1ccccc1O	827930443	KIJLDVJOGHRPSE-RISCZKNCSA-N	290.363	1.970	10	20	CDCD	
O=C(O)CN(C(=O)/C=C\c1cncc(O)c1)c1ccccc1	821524707	PPCLGLGISKNTQN-SREVYHEPSA-N	298.298	1.918	10	20	CDCD	
C[C@@H](NC(=O)CCn1cnccc1=O)c1ccccc1O	827946905	USCPRLSZJHJHKU-LLVKDONJSA-N	287.319	1.216	10	20	CDCD	
CC(C)(O)C(C)(C)CNC(=O)c1c(F)ccc(O)c1O	839790835	ZKIMKKGAOPRHEU-UHFFFAOYSA-N	285.315	1.764	10	20	CDCD	
Cn1nc(C2CC2)nc1C(=O)NCc1ccccc1O	836188626	DHHHVTGAMONWQI-UHFFFAOYSA-N	272.308	1.328	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@@H](C)C[C@H](C)N)c1	831203780	ZROGDNPIQPIPCZ-DCAQKATOSA-N	295.383	1.887	10	20	CDCD	
COc1cc(O)c(CN[C@H]2CCN[C@H](C)C2)cc1OC	841060936	CISQGNVEEGOPCL-PWSUYJOCSA-N	280.368	1.640	10	20	CDCD	
CCNCCNC(=O)NCc1ccc(N2CC=CC2)cc1	841831736	DGPWHQIEUMGYPE-UHFFFAOYSA-N	288.395	1.472	10	20	CDCD	
CS[C@H](C)C(=O)N(CC(=O)O)Cc1ccccc1O	911487867	XRHGHKXFHIOMQY-SECBINFHSA-N	283.349	1.557	10	20	CDCD	
CCc1cccc(CN[C@@H](CO)[C@H]2CCCOC2)c1O	848916380	GUZPAJQWEMESNA-GJZGRUSLSA-N	279.380	1.832	10	20	CDCD	
CCOc1ccc(CNCCCN2CCNCC2)c(O)c1	841028832	IJKJGDQKNJEZFC-UHFFFAOYSA-N	293.411	1.176	10	20	CDCD	
Nc1ccc(CCNC(=O)N[C@@H]2CCCc3c[nH]nc32)cc1	841861652	LDVIRKREZPFTCV-CQSZACIVSA-N	299.378	1.911	10	20	CDCD	
CCc1cc(C(=O)NCc2ccc(O)c(O)c2)c(C)nn1	759963754	SWQHANPWIGTHIE-UHFFFAOYSA-N	287.319	1.689	10	20	CDCD	
Cc1ccc([C@@H](C)NC[C@H](O)CN(C)C)c(O)c1C	756554799	JEMUODOSNHXXPQ-OLZOCXBDSA-N	266.385	1.582	10	20	CDCD	
C[C@H](NCCN1CCOC[C@@H]1C)c1cc(F)ccc1O	756537399	YPZIZDFMQYYFHA-RYUDHWBXSA-N	282.359	1.903	10	20	CDCD	
CC[C@H](NC)C(=O)N[C@@H](C)c1cc(OC)ccc1O	852802699	RQGVLZHQOSQKIM-CABZTGNLSA-N	266.341	1.576	10	20	CDCD	
CN(Cc1cnc[nH]1)C(=O)NCc1ccc(N(C)C)cc1	853245250	WGMQOPDTGNAWPF-UHFFFAOYSA-N	287.367	1.817	10	20	CDCD	
CO[C@@]1(C)C[C@H]1NC(=O)c1c(F)ccc(O)c1O	857334025	HISXRXWOINNNOQ-PELKAZGASA-N	255.245	1.144	10	20	CDCD	
Cc1cc(NC(=O)c2cc(O)cs2)c(=O)n(C)c1	768290320	AOAOFTFPMAJBCK-UHFFFAOYSA-N	264.306	1.713	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)[C@H]1CCn2cncc2C1	778924561	XQLFZANKMHHWQG-NSHDSACASA-N	287.319	1.173	10	20	CDCD	
CCn1nccc1NC(=O)NCCc1ccc(O)c(O)c1	776023291	MHEOTISASJKULP-UHFFFAOYSA-N	290.323	1.678	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NCCc1ccncc1	779502123	ZBUWGBWWSNKVGC-DUXPYHPUSA-N	284.315	1.865	10	20	CDCD	
Nc1nc(NCc2ccccc2O)cc(-n2cccn2)n1	774524398	SAAREOIEPSZEDK-UHFFFAOYSA-N	282.307	1.562	10	20	CDCD	
CC[C@H](NC(=O)NCCc1ccc(O)c(O)c1)C(F)F	881013090	UBUUXSFGNLFJFL-VIFPVBQESA-N	288.294	1.983	10	20	CDCD	
C[C@@H](NC(=O)C(=O)NCC1CC1)c1ccc(N(C)C)cc1	788535000	VKQDKJQOEFCSIL-LLVKDONJSA-N	289.379	1.456	10	20	CDCD	
Cc1c(C(=O)OCC(=O)c2ccc(O)c(O)c2)cnn1C	782641779	IRPMIAWTSPFDKK-UHFFFAOYSA-N	290.275	1.179	10	20	CDCD	
CCN(CC)c1ccc(CN[C@@H](CO)C(=O)O)cc1	75423933	IWQAXMMATZPRQV-ZDUSSCGKSA-N	266.341	1.068	10	20	CDCD	
COc1ccc(CN(C)Cc2noc(C)n2)c(O)c1OC	895473273	KPTKPSMAHANREI-UHFFFAOYSA-N	293.323	1.733	10	20	CDCD	
COc1ccc(O)c([C@H](C)NCc2cnn(C)c2)c1	41158807	SQZUTCRKFZVANL-JTQLQIEISA-N	261.325	1.985	10	20	CDCD	
CCOC(=O)C(C)(C)C(=O)NCc1ccccc1O	270698740	SMTHUKSPBILUCW-UHFFFAOYSA-N	265.309	1.598	10	20	CDCD	
COc1cc(C)cc(CN[C@@H](C)C[S@](C)=O)c1O	894443902	HVFYAJQKWAMBQS-YPMLDQLKSA-N	271.382	1.566	10	20	CDCD	
CC[C@](C)(CO)NCc1cc(C)cc(OC)c1O	894385677	VZMQMUIOQVCUPL-CQSZACIVSA-N	253.342	1.960	10	20	CDCD	
CS(=O)(=O)C1(CNCc2ccc3c(c2)CCO3)CCC1	279804866	NXARSGGPCMPBCS-UHFFFAOYSA-N	295.404	1.678	10	20	CDCD	
CN(C)S(=O)(=O)Nc1ccc(O)cc1Cl	82879851	FTUHUEPXDMAOOC-UHFFFAOYSA-N	250.707	1.264	10	20	CDCD	
CNC(=O)CCNCc1c(O)cccc1Br	706883596	PUXXYKFNNAUDCG-UHFFFAOYSA-N	287.157	1.380	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCOC2(CCC2)C1	193150884	HXUNTKAVELOTEF-UHFFFAOYSA-N	263.293	1.493	10	20	CDCD	
CC[C@H](NC[C@]1(O)CCN(C)C1)c1ccc(C)cc1O	794815302	OMTOEMYNVMPVGE-GOEBONIOSA-N	278.396	1.808	10	20	CDCD	
COc1cccc(O)c1CNCCC1(O)CCOCC1	796465030	DOTGUUXZSGEZCA-UHFFFAOYSA-N	281.352	1.422	10	20	CDCD	
COc1ccc(CN[C@@H](C)C(=O)O)cc1Cn1cccn1	1330686312	ATAZCXHWJIUPLO-NSHDSACASA-N	289.335	1.503	10	20	CDCD	
C[C@H](NC(=O)NCc1ccc(N)cc1)C1CCOCC1	1335666041	NXICDTJVCFALJL-NSHDSACASA-N	277.368	1.883	10	20	CDCD	
O=C(O)[C@@H](O)CCNCc1cc(Cl)cc(Cl)c1O	1332032967	RLQIXHQVVAENBO-VIFPVBQESA-N	294.134	1.624	10	20	CDCD	
CCc1noc(CCCC(=O)NCc2ccc(N)cc2)n1	1342699371	LDTVSZISXUCODW-UHFFFAOYSA-N	288.351	1.853	10	20	CDCD	
COc1ccc(O)c(CN[C@H](C)c2noc(C)n2)c1	1261186505	IKHGRYQUBXJCHT-MRVPVSSYSA-N	263.297	1.943	10	20	CDCD	
Nc1ccc(CNC(=O)N[C@@H]2CC23CCNCC3)cc1	1353443395	UNEYDONZHDBPGK-CYBMUJFWSA-N	274.368	1.210	10	20	CDCD	
CNC(=O)[C@@]1(C)CCN(Cc2cc(OC)ccc2O)C1	228099329	XDSFCNILVPPMJI-HNNXBMFYSA-N	278.352	1.359	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)C1(C(=O)O)CC1	1598333613	KBPXGBJQEYRUBB-UHFFFAOYSA-N	290.319	1.343	10	20	CDCD	
COc1ccc(O)c(CN2[C@H](C)CC[C@@H]2C(=O)O)c1	1594105881	PMAFTGMQQQEIGW-BXKDBHETSA-N	265.309	1.838	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N[C@H]1CC[C@@H](C(=O)O)C1	1594674175	CXPGHADIGGWYIC-FJJMOOCKSA-N	291.303	1.481	10	20	CDCD	
CC(C)CC(=O)NCCC(=O)N(C)Cc1ccccc1O	155632734	DAVSQTHANDQPEX-UHFFFAOYSA-N	292.379	1.903	10	20	CDCD	
CCOCCOCCNCc1ccc2c(c1)CCO2	922940307	CUTDXOCQAKRTEY-UHFFFAOYSA-N	265.353	1.764	10	20	CDCD	
Cc1ccc(CNC[C@H]2CCCCS2(=O)=O)c(O)c1	877304779	OETMHJRTQYJGKL-CYBMUJFWSA-N	283.393	1.758	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@@]12CCC[C@@H]1CNC2	280910580	SBFDWXGALBPHAG-CZUORRHYSA-N	274.364	1.740	10	20	CDCD	
Cc1cccc(CN[C@@H](CO)C[C@H]2CCCO2)c1O	895749289	QHRUAYUPEFYTPA-ZIAGYGMSSA-N	265.353	1.720	10	20	CDCD	
O=S1(=O)CCC[C@@H](NCc2ccccc2O)C1	69141947	YHUKLQCKSXWIEZ-LLVKDONJSA-N	255.339	1.059	10	20	CDCD	
COC(=O)[C@H](C)CN(C)Cc1cc(F)cc(C(C)=O)c1O	79435400	FRDUIYJTAOJREI-SECBINFHSA-N	297.326	1.975	10	20	CDCD	
COC(=O)[C@H]1CCCN1Cc1ccc(N(C)C)cc1	124733013	WVVXVBGOMDONIX-CQSZACIVSA-N	262.353	1.890	10	20	CDCD	
COc1ccc(O)c(CN2CC[C@H]([C@H](C)N)C2)c1	126904839	SIDALCANVWGRMT-QWRGUYRKSA-N	250.342	1.570	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@]1(O)CCSC1	121132172	ULWPRASFTKAOIV-OAHLLOKOSA-N	294.420	1.579	10	20	CDCD	
C[C@](O)(CNC(=O)c1cccc(O)c1O)c1ccsc1	185769666	CXEXEAFYSWLLEP-AWEZNQCLSA-N	293.344	1.797	10	20	CDCD	
CCOc1ccc(O)c([C@@H]2NC(=O)CN2CC)c1	189891298	WTVNBFHICNBSKC-CYBMUJFWSA-N	250.298	1.241	10	20	CDCD	
C[C@@]1(CNC(=O)c2cccc(O)c2O)CCCC[C@@H]1O	185794728	XDYACQMHRYIXNN-WFASDCNBSA-N	279.336	1.769	10	20	CDCD	
CC(C)OCCNCc1cc([N+](=O)[O-])ccc1O	236810459	KEYWXROKFPPBOI-UHFFFAOYSA-N	254.286	1.815	10	20	CDCD	
CC1(C)[C@H](NC(=O)Cc2ccc(N)cc2)[C@H]2CCO[C@H]21	246186800	CRWQJEYYLGSQDS-BPLDGKMQSA-N	274.364	1.741	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)C[C@@H]1CCOC1	437027871	VMUDYSQGKSXAFO-LBPRGKRZSA-N	290.363	1.905	10	20	CDCD	
CC1(C(=O)NCc2c(O)ccc3c2CCCC3)COC1	273083949	PXFBPKYVPKFJPU-UHFFFAOYSA-N	275.348	1.924	10	20	CDCD	
C[C@H](NC(=O)CC(C)(C)C)C(=O)NCc1ccccc1O	275168798	RXJMZOKRTOFARV-NSHDSACASA-N	292.379	1.949	10	20	CDCD	
CN1CC[C@H]2CCN(C(=O)c3cccc(O)c3O)[C@@H]2C1	279891802	SUOFWVGCOWUDMQ-CMPLNLGQSA-N	276.336	1.264	10	20	CDCD	
CC(C)N(Cc1ccc(N(C)C)cc1)Cc1nnn(C)n1	281430830	JDKWTJMDRJSATE-UHFFFAOYSA-N	288.399	1.687	10	20	CDCD	
CO[C@H](C(=O)N[C@H](C)Cc1ccc(O)c(O)c1)C1CC1	280416733	WVRXVDKKIPWNEC-OTYXRUKQSA-N	279.336	1.570	10	20	CDCD	
CNC(=O)[C@@]1(C)CCN(Cc2cc(C)c(C)cc2O)C1	280468147	YFTWUBJCDDKZAF-INIZCTEOSA-N	276.380	1.967	10	20	CDCD	
Cc1nonc1CNCc1ccc(N2CCOCC2)cc1	809743986	PLUDWQBYDWXLQE-UHFFFAOYSA-N	288.351	1.504	10	20	CDCD	
O=C(NCc1ccccc1O)[C@@H]1OC[C@@H]2COCC[C@H]21	290323047	GURVKQBVTAUOIS-OUCADQQQSA-N	277.320	1.060	10	20	CDCD	
CO[C@@](C)(C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)C1CC1	291757340	VCYQMJAVQXXBEK-MGPLVRAMSA-N	293.363	1.960	10	20	CDCD	
OC[C@@H]1CC[C@H](CN[C@H]2CCc3cccc(O)c32)O1	297470271	YOAWKDMTSVSXOI-AGIUHOORSA-N	263.337	1.509	10	20	CDCD	
Oc1cc(F)c(Cl)cc1CN1CCn2ncnc2C1	816571495	GLARFPVQIZCARE-UHFFFAOYSA-N	282.706	1.792	10	20	CDCD	
Cn1cc(/C=C/C(=O)N2C[C@@H](CO)c3ccccc32)cn1	817782474	MCCDPMNIUVIALX-YBJDMEARSA-N	283.331	1.556	10	20	CDCD	
NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1cc(O)cs1	829689731	YPCFBDMAMHHPNL-BDAKNGLRSA-N	268.338	1.228	10	20	CDCD	
CC[C@H](O)CNC[C@@H](c1ccc(N(C)C)cc1)N(C)C	905706316	SXJSPVDXHRHXAR-HOTGVXAUSA-N	279.428	1.716	10	20	CDCD	
COc1cccc(CN2CCN(C(=O)O)CC2)c1O	833735243	HHGRACAXYXZILB-UHFFFAOYSA-N	266.297	1.196	10	20	CDCD	
CN(C)c1ccc(CNC(=O)O[C@H]2CCOC2)cc1F	914013971	IPWDDPYVGVPAJM-NSHDSACASA-N	282.315	1.907	10	20	CDCD	
Cc1nnc(CCNC(=O)c2c(F)ccc(O)c2O)s1	832175083	JKWXFQYIBGTELQ-UHFFFAOYSA-N	297.311	1.369	10	20	CDCD	
Cc1ncsc1/C=C1/SC(N2CCOCC2)=NC1=O	742431432	ILOXXWFEXFPEPG-UXBLZVDNSA-N	295.389	1.754	10	20	CDCD	
COc1cccc([C@@H](C)NC[C@H](O)C(F)(F)F)c1O	846146299	RHRINUFMGALMMO-XCBNKYQSSA-N	279.258	1.975	10	20	CDCD	
NC[C@H]1CCN(Cc2cccc(Br)c2O)C1	843048733	UXQDTTMFLIQZRX-SECBINFHSA-N	285.185	1.935	10	20	CDCD	
C[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)C[C@@H](C)N1	843051486	JHXCKTILCNECPQ-HUUCEWRRSA-N	289.423	1.705	10	20	CDCD	
CCONC(=O)N(C)CCN(C)c1ccc(OC)cc1	845122239	OAUIHKLDSGIDKJ-UHFFFAOYSA-N	281.356	1.724	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)NC[C@H](C)CN)cc1	841718750	ASJAQGXAPVUEIQ-CYBMUJFWSA-N	292.427	1.927	10	20	CDCD	
CN1CCN(c2ccc(CNC[C@H](N)C3CC3)cc2)CC1	841050140	PQWUGMDOQIQXMR-KRWDZBQOSA-N	288.439	1.265	10	20	CDCD	
CCN1CCC[C@H](NCc2cc3c(cc2O)OCO3)C1=O	922639840	PRGSBINBRAFUBQ-NSHDSACASA-N	292.335	1.221	10	20	CDCD	
CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(N)cc2)C[C@@H](C)O1	841034820	FNHGFHQKPOZGBH-ZWNOBZJWSA-N	291.351	1.233	10	20	CDCD	
C[C@@H]1C[C@H](NCc2ncn(C)n2)c2c(O)ccc(F)c21	756778867	GDHVJNQVMJLXDZ-SCZZXKLOSA-N	276.315	1.998	10	20	CDCD	
CC(=O)c1cc(F)cc(CN[C@H]2C(=O)NCC2(C)C)c1O	931660817	SXHGLQWNDRGJCC-ZDUSSCGKSA-N	294.326	1.348	10	20	CDCD	
Cc1ccc(CC(=O)NCCc2ccc(O)c(O)c2)o1	767775003	SYGYVFFMNYBZSP-UHFFFAOYSA-N	275.304	1.901	10	20	CDCD	
CC[C@@H](NC(C)=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	867504166	SKKHRBAXYUDPQI-XHDPSFHLSA-N	291.395	1.845	10	20	CDCD	
CCN(CC(=O)N(C)C)Cc1cc2c(cc1O)OCO2	133213911	DHULLKMPELKGQA-UHFFFAOYSA-N	280.324	1.031	10	20	CDCD	
CN[C@@H](C)CCNCc1cc2c(cc1O)OCO2	1118020079	UJQZKTZNIVDXTD-VIFPVBQESA-N	252.314	1.209	10	20	CDCD	
C[C@@H](C[S@](C)=O)N(C)C(=O)c1cc(O)cs1	777182153	IVVNEADDZXPDLM-GYKQLYQFSA-N	261.368	1.293	10	20	CDCD	
COC[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C(C)C	779526270	WWJPVJPGPFNYLM-PZBABLGHSA-N	279.336	1.898	10	20	CDCD	
CC(C)[C@H](NC(=O)c1cccc(O)c1O)c1cnn(C)c1	885424026	JCWOZZRPQJQGRV-ZDUSSCGKSA-N	289.335	1.958	10	20	CDCD	
CCc1ocnc1C(=O)NCc1ccc(O)c(O)c1	778925933	QYOUVCJJTSSNMP-UHFFFAOYSA-N	262.265	1.578	10	20	CDCD	
CCN(CC)c1ccc(CN[C@@H]2C[C@H](O)[C@H](O)C2)cc1F	886255630	CZRBJDQMVLRCDC-BZWBGLRVSA-N	296.386	1.646	10	20	CDCD	
C[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1nncn1C	779480607	YOZQGAWIDNCRRX-RNEXMXFGSA-N	288.307	1.117	10	20	CDCD	
Nc1ccc(CNC(=O)N2CC[C@H]([C@H]3CCOC3)C2)cc1	1120677608	UJINAXSHKXPLFS-KBPBESRZSA-N	289.379	1.837	10	20	CDCD	
C[C@@H]1C[C@@H](C(=O)NCc2ccc(O)c(O)c2)CO1	784441991	KKEOHXXDGRXYDM-PSASIEDQSA-N	251.282	1.139	10	20	CDCD	
COC(=O)CCN(CC(=O)O)Cc1ccc(N(C)C)cc1	883521119	WHASBTXOYFVVIA-UHFFFAOYSA-N	294.351	1.202	10	20	CDCD	
CC(C)NCCCNC(=O)NCc1ccc(N)cc1	1120631028	VZDDFIBMRCDHQW-UHFFFAOYSA-N	264.373	1.456	10	20	CDCD	
CCN1CCC[C@@H](NCc2cc(C)cc(OC)c2O)C1=O	896729115	LCMCEJFYTNEJIN-CYBMUJFWSA-N	292.379	1.810	10	20	CDCD	
Cc1ccc(C(=O)N2CC(OC(F)F)C2)c(O)c1O	781197481	SMNMSWJNIKUBQF-UHFFFAOYSA-N	273.235	1.470	10	20	CDCD	
Oc1c(F)cc(F)cc1CNC[C@H](O)C1CCC1	708454318	PIPMMEOOSYWWNH-LBPRGKRZSA-N	257.280	1.921	10	20	CDCD	
CCOc1ccc(CN[C@H]2C(=O)NCC[C@H]2C)c(O)c1	799347937	SLHAOQYWFPRMDX-QMTHXVAHSA-N	278.352	1.405	10	20	CDCD	
COC(=O)C[C@H](C)C(=O)NCc1ccc(OC)cc1O	794382224	ZRBRWBOUPIDUQQ-VIFPVBQESA-N	281.308	1.216	10	20	CDCD	
COc1cccc(O)c1CNCCC[C@@H](C)CO	758579288	KEFXMPXQMPFBTD-LLVKDONJSA-N	253.342	1.899	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2Cc1cn(C)nn1	774754625	VSCGWGOXRWZTCK-UHFFFAOYSA-N	273.340	1.280	10	20	CDCD	
CCOc1ccc(N2CCN(CC(=O)OC)CC2)cc1	1319514529	AYWSNNDDTPUHAD-UHFFFAOYSA-N	278.352	1.380	10	20	CDCD	
CN(C[C@H](O)C1CC1)C(=O)NCc1ccc(N)cc1	1335737725	SVJXSLSBJHBHSF-ZDUSSCGKSA-N	263.341	1.181	10	20	CDCD	
COCC[C@H](NCc1cc(F)cc(F)c1O)C(=O)O	1332012849	NEMZCHOBPXGUQP-JTQLQIEISA-N	275.251	1.250	10	20	CDCD	
CC1CCN(CC(=O)NCc2ccc(N)cc2)CC1	1524008825	KUMFJHRGVVTJKE-UHFFFAOYSA-N	261.369	1.617	10	20	CDCD	
CN(C)c1ccc(OCc2ccnn2C)cc1C(=O)O	1606060950	RMUWIOGKBUACSD-UHFFFAOYSA-N	275.308	1.763	10	20	CDCD	
Cc1cc(-c2nn[nH]n2)cc(N(C)Cc2ccccc2O)n1	1605526869	FAWKIYSLKIQIFC-UHFFFAOYSA-N	296.334	1.912	10	20	CDCD	
O=C(O)C1=S=C(NC(=O)c2onc3ccccc23)C=C1	1602380822	DXQIMSWMTMMEIB-UHFFFAOYSA-N	288.284	1.248	10	20	CDCD	
Cc1ccc(C(=O)N2CC[C@@H](C)C[C@H]2CN)c(O)c1O	1579661187	MKJWBQWNXNETFB-KOLCDFICSA-N	278.352	1.606	10	20	CDCD	
Oc1cccc(Br)c1CNC[C@@H]1CCN1	1580888431	KYJHKBMWSJRITF-QMMMGPOBSA-N	271.158	1.606	10	20	CDCD	
C[C@H](N[C@@H]1CO[C@H](C)C1)c1cc(C(=O)O)ccc1O	1594260685	FHCNICLUHMYTDY-YWVKMMECSA-N	265.309	1.918	10	20	CDCD	
O=C(O)C1(C(=O)N2Cc3cccc(O)c3C2)CCC1	1594851851	JRSXRZKGGYKBBE-UHFFFAOYSA-N	261.277	1.489	10	20	CDCD	
CC(C)NC(=O)[C@H](C)N[C@@H](C)c1cc(C(=O)O)ccc1O	1591640122	QEYIAKBDJSSQNP-UWVGGRQHSA-N	294.351	1.654	10	20	CDCD	
COC[C@H](O)CCN[C@@H](C)c1cc(C(=O)O)ccc1O	1599179947	YSKAHRDVGYBKIU-GXSJLCMTSA-N	283.324	1.138	10	20	CDCD	
CN(C)[C@H]1CCCN(C(=O)c2cccc(O)c2O)C1	126464013	FDYZOYVICIEFNW-JTQLQIEISA-N	264.325	1.264	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CC(O)(C(C)C)C2)c1O	384067390	SCPDESMADQISMX-UHFFFAOYSA-N	281.327	1.937	10	20	CDCD	
CCNC(=O)CCC(=O)NCc1ccc(N(C)C)cc1	104018741	WXHAJAOPQKCGMM-UHFFFAOYSA-N	277.368	1.285	10	20	CDCD	
NC(=O)[C@@H](NC(=O)Cc1ccc(N)cc1)c1ccccc1	108261619	VWPWVUKGQMBTOJ-HNNXBMFYSA-N	283.331	1.154	10	20	CDCD	
CCNC(=O)CN(CC)Cc1cc(OC)c(OC)cc1O	179595753	VMHQAEOALUDOKY-UHFFFAOYSA-N	296.367	1.367	10	20	CDCD	
CCN(CC(=O)NCc1ccc(N(C)C)c(F)c1)C1CC1	126238385	RZYONYXTKHOCOQ-UHFFFAOYSA-N	293.386	1.992	10	20	CDCD	
COCCOCCN(C)Cc1cccc(C)c1O	290171024	MWGWKVVJNMEWDT-UHFFFAOYSA-N	253.342	1.795	10	20	CDCD	
C[C@@H](NC[C@@H]1CN(C)CCN1C)c1ccc(F)c(F)c1O	276983158	WIXGYXPDVYKMQS-GHMZBOCLSA-N	299.365	1.567	10	20	CDCD	
O=[N+]([O-])c1cc(Cl)cc(CN2CCC(O)CC2)c1O	271018998	AZBQWIVKXGLKCA-UHFFFAOYSA-N	286.715	1.911	10	20	CDCD	
C[C@@H](N[C@H](C)c1ncnn1C)c1cc([N+](=O)[O-])ccc1O	276572014	HGXJXWQHLMQQEX-RKDXNWHRSA-N	291.311	1.841	10	20	CDCD	
CNC(=O)C1CN(Cc2ccc(N(C)C)c(F)c2)C1	297381035	JMALGGCKLLXQLB-UHFFFAOYSA-N	265.332	1.070	10	20	CDCD	
Cc1cc(CN2C[C@H](CO)OC[C@H]2C)ccc1N(C)C	815063273	YYHYBRHBEDZNBH-UKRRQHHQSA-N	278.396	1.643	10	20	CDCD	
CC(=O)N[C@H]1CCN(Cc2cc(C)c(C)cc2O)C1	817366489	TWGQXPAIGSVALC-AWEZNQCLSA-N	262.353	1.719	10	20	CDCD	
Cc1cnc(C(=O)NCCc2ccc(O)c(O)c2)o1	813812472	SGIGBKSDQLTELY-UHFFFAOYSA-N	262.265	1.367	10	20	CDCD	
C[C@@H]1CN(C2CC2)C[C@H]1NCCc1ccc(N)cc1	817956431	YVAVBCKVGQKSPI-MLGOLLRUSA-N	259.397	1.884	10	20	CDCD	
C[C@@H](NC(=O)C1(O)CCOCC1)c1ccccc1O	827941119	MTQCNSCKXFGBHL-SNVBAGLBSA-N	265.309	1.111	10	20	CDCD	
Cc1ccsc1/C=C1/SC(=S)N(CC(N)=O)C1=O	727176618	NDKZKSVCMXEVFO-XBXARRHUSA-N	298.414	1.743	10	20	CDCD	
CCC(CC)(NC(=O)c1cc(O)cs1)C(N)=O	824920785	XZYLTPZEQBLOHI-UHFFFAOYSA-N	256.327	1.228	10	20	CDCD	
C[C@]1(O)CCN(c2ccc(/C=C\C(=O)O)cc2[N+](=O)[O-])C1	828116125	ZTJYHXFKLVBEGY-MFBWXBCUSA-N	292.291	1.654	10	20	CDCD	
COc1ccc(N(C)CCN(C)C(=O)C(OC)OC)cc1	824208001	JYTMRZOHVMBHKY-UHFFFAOYSA-N	296.367	1.209	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2[C@H]3CCC(=O)[C@H]32)c1	907059534	CRQHXEMTNCMXJI-VUBPOPHZSA-N	289.331	1.803	10	20	CDCD	
CCOCc1cc(CNC2CC(N)C2)ccc1OC	906510747	UOFMXDXPJQKWLC-UHFFFAOYSA-N	264.369	1.811	10	20	CDCD	
Cc1cc(C)n(CCC(=O)NCCc2ccc(N)cc2)n1	832652789	GUKYGMGDGIFDOJ-UHFFFAOYSA-N	286.379	1.831	10	20	CDCD	
C[C@@]1(CNCc2c(O)ccc(Cl)c2F)CCC(=O)N1	835060781	NHOMCQABZIYRDR-ZDUSSCGKSA-N	286.734	1.943	10	20	CDCD	
CCCCOCCNC(=O)C(=O)Nc1ccc(N)cc1	841022224	HNDLRXKDHPJFPA-UHFFFAOYSA-N	279.340	1.140	10	20	CDCD	
CCOc1cccc(CC(=O)NCCc2ccc(N)cc2)n1	911783042	PCOWKCFAWDUBQA-UHFFFAOYSA-N	299.374	1.964	10	20	CDCD	
COC[C@@H](C)[C@@H](C)C(=O)NCc1ccc(O)cc1O	910943357	ATZXPOGATREHGE-NXEZZACHSA-N	267.325	1.633	10	20	CDCD	
C[C@H]1CCN(C(=O)C(=O)Nc2ccc(N)cc2)C[C@H]1C	841081148	VQCZSYAAVJVBMD-WDEREUQCSA-N	275.352	1.712	10	20	CDCD	
CN1CCCN=C1NCc1ccc(N2CCOCC2)cc1	848991104	CSDFOZLJUVAZRB-UHFFFAOYSA-N	288.395	1.304	10	20	CDCD	
C[C@@H]1C[C@@H](C(=O)NCc2ccc(O)cc2O)CO1	910947691	JWGWMXUIEMLKKZ-PSASIEDQSA-N	251.282	1.139	10	20	CDCD	
COc1ccc(N(C)CCN(C)C(=O)CCCCN)cc1	846697750	VOSQLYJVIYYCSH-UHFFFAOYSA-N	293.411	1.719	10	20	CDCD	
C[C@@H](CN)CNCc1cc(Br)ccc1O	841048758	LOCGSOAPBBEDKI-QMMMGPOBSA-N	273.174	1.839	10	20	CDCD	
C[C@@H](COCC1CC1)NC(=O)C(=O)Nc1ccc(N)cc1	846324139	NYXBAGBPLPMZPJ-JTQLQIEISA-N	291.351	1.139	10	20	CDCD	
C[C@H](C[C@H]1CCOC1)NC(=O)NCCc1ccc(N)cc1	841857944	RRIIRQDLVXURBR-TZMCWYRMSA-N	291.395	1.926	10	20	CDCD	
COc1ccc(N2CCC(N[C@H](C)CN)CC2)cc1	841060851	RAMYIYWFMODXJR-GFCCVEGCSA-N	263.385	1.601	10	20	CDCD	
O=C(c1c(F)ccc(O)c1O)N1CCC[C@H](F)C1	846661954	HZADFGLDZDQKFE-ZETCQYMHSA-N	257.236	1.811	10	20	CDCD	
CCc1cc(O)ccc1NS(=O)(=O)c1c(N)noc1C	844665713	OJTCYBVMOXJYNJ-UHFFFAOYSA-N	297.336	1.634	10	20	CDCD	
Cc1ccc(C(=O)N2CCC(F)CC2)c(O)c1O	914431138	XLOMODNSTDFKRO-UHFFFAOYSA-N	253.273	1.980	10	20	CDCD	
CC(C)OC(=O)[C@H](C)CNC(=O)Nc1ccc(N)cc1	841300120	NYUMQIDFTIEXCU-SNVBAGLBSA-N	279.340	1.978	10	20	CDCD	
CC(C)(C)n1nnc(CNC(=O)c2cc(O)cs2)n1	848390875	JHIOTWABSSCQLF-UHFFFAOYSA-N	281.341	1.125	10	20	CDCD	
CN(C1CCN(Cc2ccc(N)cc2)CC1)S(C)(=O)=O	1336117427	MVKWGTPDPSIXJI-UHFFFAOYSA-N	297.424	1.125	10	20	CDCD	
C[C@@H](N[C@H]1CC(=O)N(C)C1)c1cc(F)cc(F)c1O	756524445	FTMNVAOKHOWCDG-APPZFPTMSA-N	270.279	1.552	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2C[C@]2(C)OC)c1	852687378	JOVXNYKKFXXJLH-RJIBLYRGSA-N	294.351	1.938	10	20	CDCD	
CNC(=O)OC[C@@H]1CCCCN1C(=O)c1cc(O)cs1	854476453	IRONIWRZRWXBOA-VIFPVBQESA-N	298.364	1.804	10	20	CDCD	
CC[C@@H](NC(C)=O)C(=O)NCc1ccc(N(C)C)cc1	864574032	WQXDPQCASLYNPH-CQSZACIVSA-N	277.368	1.284	10	20	CDCD	
CN(C)CCOc1ccc(N(C)Cc2cncn2C)cc1	761221258	CKJRAODCMLUPCP-UHFFFAOYSA-N	288.395	1.997	10	20	CDCD	
CN(Cc1ccc(N2CCOCC2)cc1)Cc1cn[nH]c1	768208165	OEWQRVKKEPDRTH-UHFFFAOYSA-N	286.379	1.878	10	20	CDCD	
C[C@@H]1CNC[C@H]1NCc1ccc(N2CCCC2)cc1	1119611920	ZJGCHESWBPRLLG-CZUORRHYSA-N	259.397	1.984	10	20	CDCD	
CCN(C)c1ccc(CN2CCN(C)C(=O)[C@@H]2C)cc1	773852161	XMXYFGZZAGXDBH-ZDUSSCGKSA-N	275.396	1.805	10	20	CDCD	
C[C@H](NC(=O)NCC[S@@](C)=O)c1ccc(N(C)C)cc1	773300054	XUYGPLFIXPYNKE-PRWKNARSSA-N	297.424	1.491	10	20	CDCD	
CO[C@@H]1COCC[C@@H]1CNCc1cc(F)cc(F)c1O	883132987	LJXOZCXRWXTNLH-NOZJJQNGSA-N	287.306	1.812	10	20	CDCD	
COCCCOCC(=O)N[C@@H](C)c1ccc(N(C)C)cc1	773021093	RXXGLIHHRKFGNU-ZDUSSCGKSA-N	294.395	1.983	10	20	CDCD	
CC[C@@H](C)[C@](C)(O)CNC(=O)c1ccc(C)c(O)c1O	780956275	TVTYMPQQEABYGT-MEBBXXQBSA-N	281.352	1.933	10	20	CDCD	
Cc1cnc2c(c1)N(C(=O)c1ccoc1CC(N)=O)CC2	888144544	LNADQKBUAYVAJU-UHFFFAOYSA-N	285.303	1.214	10	20	CDCD	
Cc1ccc(C(=O)N[C@H]2CCN(C)[C@H](C)C2)c(O)c1O	780950959	PIOSHTHSUHKIJW-MNOVXSKESA-N	278.352	1.619	10	20	CDCD	
CC(C)[C@H](N)CNC(=O)N[C@H](C)c1ccccc1O	892019503	QIZHYHFZVUSPAT-ZYHUDNBSSA-N	265.357	1.736	10	20	CDCD	
CCOc1ccc(CN[C@H]2CCOC2=O)c(O)c1	895797959	BVIFBFFWFVSPPF-NSHDSACASA-N	251.282	1.196	10	20	CDCD	
Cc1noc(CCC(=O)NCc2ccc(N)cc2)n1	701101432	GVTBYMVMOBBJMP-UHFFFAOYSA-N	260.297	1.209	10	20	CDCD	
COc1ccc(CNC(=O)[C@@H]2CCC=CO2)c(O)c1	794379592	QZMRTHGYPGADHC-ZDUSSCGKSA-N	263.293	1.710	10	20	CDCD	
COC[C@@H](C)CS(=O)(=O)NCc1cc(C)ccc1O	1329806724	QDCHBZOXOFMFJN-LLVKDONJSA-N	287.381	1.403	10	20	CDCD	
COCC[C@H](NCc1ccc2c(c1)CCCO2)C(=O)O	1335617722	YOZHEIAVXOEQKN-ZDUSSCGKSA-N	279.336	1.591	10	20	CDCD	
Cc1cc(COCC(=O)NCc2ccccc2O)no1	1335855634	NXVJJBWMFOOQFD-UHFFFAOYSA-N	276.292	1.522	10	20	CDCD	
CC(=O)CN(C(=O)/C=C/c1ccc(O)c(O)c1)C(C)C	1332129785	GEQXUPPGTUYAIF-FNORWQNLSA-N	277.320	1.937	10	20	CDCD	
CO[C@H]1CCC[C@H]1C(=O)NCc1ccc(O)c(O)c1	1262614410	HMPNNRRUTRXOHJ-MFKMUULPSA-N	265.309	1.529	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2N)c(O)c1O	1579663614	BMEMTRVXXDKFDI-GHMZBOCLSA-N	264.325	1.406	10	20	CDCD	
C[C@@](CO)(NCc1ccc(N2CCCCC2)cc1)C(=O)O	1592749680	HIPDSVXNWMPWMM-INIZCTEOSA-N	292.379	1.602	10	20	CDCD	
O=C(O)[C@@H]1CCCN1Cc1ccc(F)c(F)c1O	1595167757	WYQNVXRPNRNYMN-VIFPVBQESA-N	257.236	1.719	10	20	CDCD	
COc1ccc(N(C)CC2(CO)COC2)cc1F	259089810	VWZIJWPSDSMNBW-UHFFFAOYSA-N	255.289	1.279	10	20	CDCD	
O=C(NCC1(CO)CCCCC1)c1cccc(O)c1O	126634883	WZPFTUAGPSCHTO-UHFFFAOYSA-N	279.336	1.770	10	20	CDCD	
C[C@H]1CCN[C@H](C(=O)N(C)Cc2ccccc2O)C1	126751403	IMSVPCXNGRAMCW-AAEUAGOBSA-N	262.353	1.739	10	20	CDCD	
Cc1cccc(O)c1CNCCN1CCC(O)CC1	877573506	ZDDCVWHLRJYMDG-UHFFFAOYSA-N	264.369	1.247	10	20	CDCD	
CC[C@@H](C)[C@H](O)CNC(=O)Cc1ccc(N)cc1	157841127	AOARXVOLTCNTDE-ZWNOBZJWSA-N	250.342	1.335	10	20	CDCD	
COc1ccc(O)c(CNCC[C@H](C)CCO)c1	294685976	BLINLXFFJNFWEI-NSHDSACASA-N	253.342	1.899	10	20	CDCD	
CCN(CC)c1ccc(CN[C@]2(CO)CCOC2)cc1	184195542	NQLGANFNMHISHZ-INIZCTEOSA-N	278.396	1.774	10	20	CDCD	
CCNC(=O)C(C)(C)NCc1cccc(OC)c1O	312895729	NNKZBILOTYYDSS-UHFFFAOYSA-N	266.341	1.405	10	20	CDCD	
Cc1ccc(O)c(CN2CC[C@@H](N3CCNCC3)C2)c1	380219515	IXENCAHGHKMQQI-OAHLLOKOSA-N	275.396	1.180	10	20	CDCD	
CC(=O)c1cc(Cl)cc(CN2CCNCC2)c1O	50499152	VMDNGZGXTYRERI-UHFFFAOYSA-N	268.744	1.653	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)CN(C)C)c1	104900664	UNYVYTGSXZUGTB-SECBINFHSA-N	252.314	1.140	10	20	CDCD	
O=C1NC(=S)S/C1=C\c1cc(C(=O)O)cs1	309764376	NFCSZAVEJBJMPU-KXFIGUGUSA-N	271.344	1.935	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1c[nH]c(C#N)c1	186391208	XUYNRERHLQHEKQ-SECBINFHSA-N	285.303	1.659	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)Cc2ccn[nH]2)c1	121735185	FCAWGFDQQHGCHQ-VIFPVBQESA-N	275.308	1.544	10	20	CDCD	
C[C@H](NCC(F)(F)CO)c1ccc(F)c(F)c1O	187923128	OPSCAWQRFXMGRJ-LURJTMIESA-N	267.222	1.949	10	20	CDCD	
COC[C@@H](CNCc1ccc(N2CCOCC2)cc1)OC	227706466	ZYBPEYKTAYMQAC-MRXNPFEDSA-N	294.395	1.274	10	20	CDCD	
O=C(NC[C@@H]1CCCSC1)c1cccc(O)c1O	288159135	YWGKBUQNUQNVEF-VIFPVBQESA-N	267.350	1.971	10	20	CDCD	
CCOC(=O)C1(C(=O)NCCc2ccc(O)c(O)c2)CC1	269211296	OKHQTLPHIVQQQB-UHFFFAOYSA-N	293.319	1.100	10	20	CDCD	
CCOc1cc(O)ccc1NS(=O)(=O)c1ccnn1C	276863715	KNMMNWZXTIPCMJ-UHFFFAOYSA-N	297.336	1.325	10	20	CDCD	
C[C@@H]1CN(Cc2ccc(N(C)C)c(F)c2)C[C@H]1CO	276724662	AOGAFNCAKKULDF-YPMHNXCESA-N	266.360	1.952	10	20	CDCD	
CN1CCCc2cc(CNC(=O)c3cn(C)nn3)ccc21	288668856	SKVRYXAWJAFICT-UHFFFAOYSA-N	285.351	1.128	10	20	CDCD	
C[C@@H](CN(C)C)NC(=O)NCc1ccccc1O	287733541	ZGZWLJWZWYWQGP-JTQLQIEISA-N	251.330	1.142	10	20	CDCD	
COc1cc(Cl)cc(CN2CC[C@@H]3CNC[C@@H]32)c1O	385297345	JLCKXMZCYVNFLO-SKDRFNHKSA-N	282.771	1.848	10	20	CDCD	
Cn1ncc(CCCNCc2cc([N+](=O)[O-])ccc2O)n1	293052648	TYPWVGCRNWCMNF-UHFFFAOYSA-N	291.311	1.151	10	20	CDCD	
Cc1ccc(C(=O)N2[C@H]3CC[C@H]2CC(=O)C3)c(O)c1O	291587343	CZKRSSIHSLNTSN-UWVGGRQHSA-N	275.304	1.742	10	20	CDCD	
CCn1c(SCC(=O)C(C)=O)nnc1-c1cccnc1	808026713	VUUACMDCUBYFFC-UHFFFAOYSA-N	290.348	1.610	10	20	CDCD	
COCC[C@H]1COCCN1Cc1cc(OC)c(C)cc1O	812299994	RTYDBGKRBQQSDL-AWEZNQCLSA-N	295.379	1.947	10	20	CDCD	
COc1cnc(C(=O)NCc2ccc(N(C)C)cc2)nc1	814789174	AJEHVYPWOSYBAV-UHFFFAOYSA-N	286.335	1.481	10	20	CDCD	
CN(C[C@@H]1CCCOC1)C(=O)c1c(F)ccc(O)c1O	825764341	JKVSSJXPFQJOLG-VIFPVBQESA-N	283.299	1.736	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN(C)C[C@@H]1COCCO1	827140296	JGWDKKPYNDZUMW-MRXNPFEDSA-N	278.396	1.908	10	20	CDCD	
CC[C@@H]1CN(C(=O)c2c(F)ccc(O)c2O)C[C@@H]1O	827487544	WROHVYBBUOMEPZ-XCBNKYQSSA-N	269.272	1.080	10	20	CDCD	
CCOc1cccc(CN(C)Cc2cn(C)nn2)c1O	827304930	JXDBYWAKOPRBSM-UHFFFAOYSA-N	276.340	1.551	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)CN1CCOC1=O	820880174	YADNLVUDWIRWAF-UHFFFAOYSA-N	292.335	1.583	10	20	CDCD	
COc1cc(O)c(CNC(CF)CF)cc1OC	824554789	LDZOTHBQPIXELR-UHFFFAOYSA-N	261.268	1.807	10	20	CDCD	
CN1CCN(C(=O)c2cc(O)cs2)C(C)(C)C1	831508619	RTUZXTFVANFSOT-UHFFFAOYSA-N	254.355	1.620	10	20	CDCD	
CCN(CC(=O)O)Cc1cc2c(cc1O)OCO2	737076267	XKFIZBKDVSDYCQ-UHFFFAOYSA-N	253.254	1.027	10	20	CDCD	
C[C@@H]1C[C@H](C(=O)N(CC(=O)O)Cc2ccccc2O)CO1	911493223	LFTVXTFMBXNRKH-PWSUYJOCSA-N	293.319	1.230	10	20	CDCD	
CCc1cccc(CN2CC[C@@H](O)[C@H](CO)C2)c1O	848918198	SAEDCIZEZWRWOP-UONOGXRCSA-N	265.353	1.130	10	20	CDCD	
COc1cccc([C@H](C)NCC(=O)NC(C)C)c1O	846135142	BPBKYZKVLXFBAH-JTQLQIEISA-N	266.341	1.576	10	20	CDCD	
CCc1cccc(CN2CCO[C@@H](CC(=O)OC)C2)c1O	848887351	UKLZPJOBDKOMMG-AWEZNQCLSA-N	293.363	1.719	10	20	CDCD	
CCc1cccc(CN2CCC[C@H](C(=O)NC)C2)c1O	848884024	GVTDXGJOTLPSMP-AWEZNQCLSA-N	276.380	1.913	10	20	CDCD	
COc1ccc(N(C)CCN(C)Cc2cncn2C)cc1	844401384	MWTQXBMYKDIURE-UHFFFAOYSA-N	288.395	1.997	10	20	CDCD	
O=C(O)CN(Cc1ccccc1O)C(=O)CCCF	911494725	XPXIFIKAGCVKQQ-UHFFFAOYSA-N	269.272	1.555	10	20	CDCD	
CCC(=O)N(C)CCN(C)c1ccc(OC)cc1	844851574	AFSGWYDQJAOPBX-UHFFFAOYSA-N	250.342	2.000	10	20	CDCD	
C[C@@H](CCN)NC(=O)NCc1ccc2c(c1)CCCN2C	841760442	VRNLPPCYPZSRCD-LBPRGKRZSA-N	290.411	1.606	10	20	CDCD	
CC[C@@H](C(=O)NCc1ccc(O)cc1O)N(C)C	910951614	VFNNBIYMRWFARG-NSHDSACASA-N	252.314	1.054	10	20	CDCD	
COCCNCCNCc1cccc(Cl)c1O	841048738	SVDSCTXONORBLX-UHFFFAOYSA-N	258.749	1.371	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNCC(=O)NC1CC1	840945655	SYYXKRCUGXRUAJ-UHFFFAOYSA-N	261.369	1.429	10	20	CDCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N1CCNCC1	841832561	PNRAKDCPGRCSSS-UHFFFAOYSA-N	286.379	1.178	10	20	CDCD	
C[C@@H](NC(=O)NCCO[C@@H]1CCOC1)c1ccccc1O	927527682	QOSIMWYHCQSENK-VXGBXAGGSA-N	294.351	1.558	10	20	CDCD	
COC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	920886749	QFZHNIMAGPBSHS-LLVKDONJSA-N	264.325	1.940	10	20	CDCD	
C[C@H](NCc1nncn1C)c1cc(F)cc(F)c1O	756400403	KGSILPVFYMAKKF-ZETCQYMHSA-N	268.267	1.650	10	20	CDCD	
C[C@H]1[C@@H](N(C)C)CCN1C(=O)c1c(F)ccc(O)c1O	857270066	NCEOOURYDHOLEM-WPRPVWTQSA-N	282.315	1.402	10	20	CDCD	
COC[C@@H](C)NC(=O)N[C@H](C)c1ccccc1O	864424112	JJSQXCKQHTYZIN-NXEZZACHSA-N	252.314	1.787	10	20	CDCD	
CN(C)c1ccc(CN2CCC(S(C)(=O)=O)CC2)cc1	769483558	OZEODIWAGMNUSI-UHFFFAOYSA-N	296.436	1.762	10	20	CDCD	
COC(=O)CCCn1cc(COc2ccc(N)cc2)nn1	864626542	PCJJKLIHSQPWHP-UHFFFAOYSA-N	290.323	1.393	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)CCCS(C)(=O)=O)c1	862759379	CVUIQQCDMDMDSN-UHFFFAOYSA-N	285.365	1.142	10	20	CDCD	
CCO[C@H](C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)C1CC1	860696384	UGMORPJNPGRHJA-BONVTDFDSA-N	293.363	1.960	10	20	CDCD	
COC1(OC)CCOC[C@H]1NCc1ccc(N(C)C)cc1	931676018	SROXOZHPCHSGEE-OAHLLOKOSA-N	294.395	1.620	10	20	CDCD	
CC(=O)c1cc(O)ccc1NS(=O)(=O)c1cn[nH]c1	766047069	FDDQWLDFSLMDRW-UHFFFAOYSA-N	281.293	1.119	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)OC[C@H]1CCCO1	867417529	YLLRQKMURALNRW-LLVKDONJSA-N	267.281	1.503	10	20	CDCD	
Cc1cnc(CNC(=O)c2c(F)ccc(O)c2O)s1	764582281	IGMGIAVNDVICRA-UHFFFAOYSA-N	282.296	1.932	10	20	CDCD	
CN(C)c1ccc(CN2CCN3C(=O)CC[C@H]3C2)cc1F	769207385	TVLIBJMPNRLPHT-ZDUSSCGKSA-N	291.370	1.698	10	20	CDCD	
Cc1ccnn1CC(=O)N[C@H](C)Cc1ccc(O)c(O)c1	860697093	NMNIRTLSTPHKJF-SNVBAGLBSA-N	289.335	1.350	10	20	CDCD	
OCCCCNCc1ccc(N2CCC(O)CC2)cc1	877483845	QUFBOUACDPONTQ-UHFFFAOYSA-N	278.396	1.510	10	20	CDCD	
C[C@H](NC(=O)NCC[S@](C)=O)c1ccc(N(C)C)cc1	773300055	XUYGPLFIXPYNKE-YBTHPKLGSA-N	297.424	1.491	10	20	CDCD	
CN(Cc1cc(Cl)cc([N+](=O)[O-])c1O)[C@H]1CCNC1=O	770379148	ISWUXVZNKVGDAH-VIFPVBQESA-N	299.714	1.274	10	20	CDCD	
C[C@@H]1C[C@@H](NC(=O)/C=C/c2ccc(O)c(O)c2)CCN1C	779526102	VJNJURWILGXEGA-YJLKIPLNSA-N	290.363	1.710	10	20	CDCD	
Nc1ccc(CNC(=O)N2C[C@H]3[C@H](N)CCC[C@H]3C2)cc1	1120592159	QJPCNCBSVLUWAB-NWANDNLSSA-N	288.395	1.538	10	20	CDCD	
CN(C)c1ccc([C@H](CNC(=O)[C@H]2C[C@@H]2F)N(C)C)cc1	1121170463	HIYSSAGVYFAYCK-KKUMJFAQSA-N	293.386	1.830	10	20	CDCD	
Nc1ccc(CNC(=O)NCCCCCCO)cc1	1120677618	UMYJMDAOFLZGGW-UHFFFAOYSA-N	265.357	1.621	10	20	CDCD	
COC(=O)COc1ccc(N(C)C[C@H]2CCOC2)cc1	784560754	MTNIBEROAUPLMX-GFCCVEGCSA-N	279.336	1.711	10	20	CDCD	
CN(C)c1ccc(CNc2ccc(C(N)=O)nn2)cc1	301331940	DWFORPXLHXYGOQ-UHFFFAOYSA-N	271.324	1.254	10	20	CDCD	
O=C(NCc1ccco1)c1c(F)ccc(O)c1O	789942776	QBSZBTORMBYKIQ-UHFFFAOYSA-N	251.213	1.760	10	20	CDCD	
CCc1cccc(CN(CC)CCC(=O)NC)c1O	897709187	LTCATJLGRCCVOS-UHFFFAOYSA-N	264.369	1.913	10	20	CDCD	
COc1ccc(CNC(=O)[C@H](N)CC2CC2)c(O)c1	83477974	YWZYSLIZWLBJSI-GFCCVEGCSA-N	264.325	1.144	10	20	CDCD	
CCS(=O)(=O)CCN(C)Cc1cc(Cl)ccc1O	93643365	XSKOZDOUHBICPO-UHFFFAOYSA-N	291.800	1.912	10	20	CDCD	
COc1ccc(CNC(=O)NCc2cccn2C)c(O)c1	792965768	BSACZIQRTGTDQQ-UHFFFAOYSA-N	289.335	1.739	10	20	CDCD	
COc1cccc(CNCc2cc(C)ncn2)c1O	756989802	GXRXOENEMHRZTR-UHFFFAOYSA-N	259.309	1.789	10	20	CDCD	
C[C@H]1CN(Cc2cc(F)ccc2O)C[C@H](C)S1=O	792192727	PODZMFQBZYLVLQ-UWVGGRQHSA-N	271.357	1.873	10	20	CDCD	
CO[C@@H]1[C@@H](C)[C@@H](NC(=O)c2cccc(O)c2O)C1(C)C	790917022	YDTKAILBLKZMKF-ZEGGKSINSA-N	279.336	1.887	10	20	CDCD	
COc1ccc(CNC(=O)COC(C)(C)C)c(O)c1	794376080	BOKXKRSOPKFWQZ-UHFFFAOYSA-N	267.325	1.832	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCC2(CC1)C[C@H](O)CCO2	1334778438	WGGOOLHTOIDEDZ-SNVBAGLBSA-N	297.376	1.600	10	20	CDCD	
COC(=O)c1cnc(SC[C@@H]2CNC(=O)C2)s1	1333288436	DSYBWEAKGUTWKG-LURJTMIESA-N	272.351	1.158	10	20	CDCD	
CN(C(=O)C1=NOC2(CCNCC2)C1)c1ccc(N)cc1	1263168268	IDSCKQFYUYWXLS-UHFFFAOYSA-N	288.351	1.130	10	20	CDCD	
COCC1(C(=O)NCc2cccc(O)c2O)CC1	1520510536	ZBDIMSXDPCSZRY-UHFFFAOYSA-N	251.282	1.141	10	20	CDCD	
Cc1cc(CN[C@@H](C)c2cc(C(=O)O)ccc2O)n(C)n1	1600203747	UQPZWIFASOVQLK-JTQLQIEISA-N	289.335	1.983	10	20	CDCD	
Nc1ccc(CC(=O)N[C@H]2C[C@H]3C[C@H](C(=O)O)C[C@@H]23)cc1	1601216362	XYOWQJNHSXHOMS-WVWOOGAGSA-N	288.347	1.427	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)c1cc(C(=O)O)co1	1610124263	PWYLWPHEBLXBTA-UHFFFAOYSA-N	275.260	1.956	10	20	CDCD	
CC[C@H](C(=O)NCc1cccc(OC)c1O)N(C)C	155365558	QAUVEVIHNPDIRP-LLVKDONJSA-N	266.341	1.357	10	20	CDCD	
CC[C@H](NCCNC(=O)c1ccn[nH]1)c1ccccc1O	157914373	JRPBJFOPCLGIJM-LBPRGKRZSA-N	288.351	1.586	10	20	CDCD	
COC[C@H](CO)N[C@H]1C[C@H](C)c2c(C)ccc(O)c21	300555672	WRWNBUZOGIMEPI-SRVKXCTJSA-N	265.353	1.846	10	20	CDCD	
Cc1cc(C)n(CCC(=O)NCc2ccccc2O)n1	701142973	MPVWWQGILWTPFU-UHFFFAOYSA-N	273.336	1.912	10	20	CDCD	
CN(C)CCOCCN[C@H]1CCc2cccc(O)c21	382181736	UKLDDFSAAJJWNU-ZDUSSCGKSA-N	264.369	1.547	10	20	CDCD	
CCOc1cccc(CNC[C@H](C)S(C)(=O)=O)c1O	697615204	YLBBRAQMBSZHMX-JTQLQIEISA-N	287.381	1.314	10	20	CDCD	
C[C@@H](NC(=O)[C@@H]1CSCN1)c1ccccc1O	877255836	IGGCHKKTJNKXBM-SCZZXKLOSA-N	252.339	1.232	10	20	CDCD	
CC(C)(C)c1cc(O)c(O)c(CN2CCNC(=O)C2)c1	58593004	OPXMSCKGAFRWQB-UHFFFAOYSA-N	278.352	1.327	10	20	CDCD	
CNC(=O)[C@@H]1CCCN(Cc2cc3c(cc2O)OCO3)C1	118963590	PEVYFVMLIAIDRZ-SNVBAGLBSA-N	292.335	1.079	10	20	CDCD	
COc1ccc(N2CCN(C[C@H](O)CSC)CC2)cc1	187730147	PPWCZOATWKSGFL-AWEZNQCLSA-N	296.436	1.541	10	20	CDCD	
C[C@H](NCCC(=O)N1CCN(C)CC1)c1ccccc1O	183490834	COGIFMUKGFIWFR-ZDUSSCGKSA-N	291.395	1.207	10	20	CDCD	
NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1	78935523	QIQWFVMICSXQOD-UHFFFAOYSA-N	263.341	1.064	10	20	CDCD	
CC(=O)C(=O)CSc1nnc(NC2CC2)s1	289617723	LHUUODUIFFLLDH-UHFFFAOYSA-N	257.340	1.363	10	20	CDCD	
COCCOCCCCNCc1cc2c(cc1O)OCO2	134232095	FHSPKJGHERRGML-UHFFFAOYSA-N	297.351	1.654	10	20	CDCD	
C[C@H]1CN(Cc2ccc(N(C)C)cc2)CC[S@](=O)C1	277459167	LFWLEMQSZTWYFR-DJJJIMSYSA-N	280.437	1.953	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNCCOCC2CC2)c1O	278954012	ZWQXATMDVCRWRK-UHFFFAOYSA-N	296.323	1.825	10	20	CDCD	
COC(=O)[C@@]1(C)CCN(C(=O)c2c(F)ccc(O)c2O)C1	278732532	DDUMBHFZXBDBEC-AWEZNQCLSA-N	297.282	1.262	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)NC[C@H]2CCCN2C)c1	273445951	ZTJGYZUKVCLJPM-DGCLKSJQSA-N	292.379	1.924	10	20	CDCD	
O=C(NCc1ccccc1O)N[C@@H]1CCC[C@@H]1CCO	275270239	SWCAJKIGDHNADV-DGCLKSJQSA-N	278.352	1.743	10	20	CDCD	
COCCOCCC(=O)N[C@H](C)Cc1ccc(O)c(O)c1	274189489	LKMYNNGMHQZTRR-LLVKDONJSA-N	297.351	1.198	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)[C@@H]1CC12CCOCC2	378505800	FHFLMHUEVWBFHH-NSHDSACASA-N	277.320	1.531	10	20	CDCD	
CCCOc1ccc(CN(C)[C@@H]2CCN(C)C2=O)c(O)c1	271191655	LVHLXDONSDBGKO-CQSZACIVSA-N	292.379	1.844	10	20	CDCD	
COC(=O)C[C@H]1COCCN1Cc1ccc(N(C)C)cc1	376548145	WIBAEYGVLVWUBT-HNNXBMFYSA-N	292.379	1.517	10	20	CDCD	
Cc1noc([C@@H]2CCCN2C(=O)c2cccc(O)c2O)n1	286470358	GUNCZSUVMPMVSC-JTQLQIEISA-N	289.291	1.767	10	20	CDCD	
CNCCC(=O)NCc1ccc(N(C)C)c(F)c1	285710351	CXEDDNRKUKKZMQ-UHFFFAOYSA-N	253.321	1.117	10	20	CDCD	
CCn1cc(CNC(=O)NCc2ccccc2O)cn1	287038679	STDRKTUZUYGHTM-UHFFFAOYSA-N	274.324	1.608	10	20	CDCD	
CCCN(C(=O)c1cc(O)cs1)[C@@H]1CC(=O)N(C)C1=O	802645831	CHTRZGSADXFARP-SECBINFHSA-N	296.348	1.063	10	20	CDCD	
CCC(=O)N1CCCC[C@@H]1C(=O)NCc1ccccc1O	299615782	YJZCWYFYIGKQMN-CYBMUJFWSA-N	290.363	1.800	10	20	CDCD	
O=C(c1cc(O)cs1)N1CC(O)(c2ccccc2)C1	807751770	ROGTWIAQNQCWCX-UHFFFAOYSA-N	275.329	1.797	10	20	CDCD	
CC(=O)C(=O)COC(=O)CCOc1ccccc1	808487008	RFBRQRILPZGJQH-UHFFFAOYSA-N	250.250	1.157	10	20	CDCD	
CC(=O)C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Cl	808488088	AITPJYDTJHQCAI-UHFFFAOYSA-N	285.639	1.563	10	20	CDCD	
Cc1ncc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)n1C	907272713	HXIGJYWNXAKELW-VIFPVBQESA-N	289.335	1.501	10	20	CDCD	
C[C@H](NC(=O)[C@@H](C(=O)O)C1CC1)c1ccccc1O	902516881	MTTSPEZQKAOLBY-UFBFGSQYSA-N	263.293	1.680	10	20	CDCD	
CN(C)c1ccc([C@H](CNC(=O)C(C)(C)N)N(C)C)cc1	906639384	IJCDEWNWTXVGHP-AWEZNQCLSA-N	292.427	1.209	10	20	CDCD	
Nc1ccc(CC(=O)N2CCC[C@H](Cn3ccnn3)C2)cc1	831431421	IQPBLIIRCZZLAV-AWEZNQCLSA-N	299.378	1.342	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CC(C)=NO2)c1	830539861	AOTWBGRRZGQSDR-RNCFNFMXSA-N	278.308	1.743	10	20	CDCD	
COCC(COC)N[C@@H](C)c1cc(C(=O)OC)ccc1O	834887911	ADBKWCLTMWSAEF-JTQLQIEISA-N	297.351	1.491	10	20	CDCD	
C[C@H]1CCN(C(=O)C(=O)Nc2ccc(N)cc2)[C@@H]1C	841057291	IVDMHDCYIBHTEU-VHSXEESVSA-N	261.325	1.464	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN(C)CCOCCO	840942753	CIJVAOVCVPAQIA-UHFFFAOYSA-N	266.385	1.502	10	20	CDCD	
CN(C[C@@H](O)C(F)(F)F)c1ccc(OCC(=O)O)cc1	846279779	KSJBIELCMOUBFO-SNVBAGLBSA-N	293.241	1.509	10	20	CDCD	
CCCN(CCOCCN)Cc1ccccc1O	843358276	KIDYHTBVHUNPLL-UHFFFAOYSA-N	252.358	1.580	10	20	CDCD	
COc1cccc([C@@H](C)NCC[C@]2(O)CCCOC2)c1O	846212963	ORZZITQUSHCFJE-MLGOLLRUSA-N	295.379	1.983	10	20	CDCD	
CN1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2ccc(N)cc2)C1	843490981	PGOZQDRVRFMKJZ-GOEBONIOSA-N	287.407	1.754	10	20	CDCD	
COc1cc(O)c(CN2C[C@H](CN)C[C@H]2C)cc1OC	843057854	MNFMNHSFAJHDEH-MNOVXSKESA-N	280.368	1.579	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2[C@@H](C)CNC[C@H]2C)c1O	843369897	YGPWOAANNRQSDV-AOOOYVTPSA-N	280.343	1.916	10	20	CDCD	
CCc1cccc(CN2CC[C@@H]3OCC(=O)N[C@H]3C2)c1O	848914707	MPGKPCHOYRUMCI-KBPBESRZSA-N	290.363	1.044	10	20	CDCD	
COc1ccc(N(C)CCN(C)C(=O)c2cnco2)cc1	846441646	BSOKNFJDYQLNNJ-UHFFFAOYSA-N	289.335	1.892	10	20	CDCD	
Nc1ccc(NC(=O)N2CC(=O)N[C@H]3CCCC[C@H]32)cc1	841298201	NPNJAEDEKIGYKM-QWHCGFSZSA-N	288.351	1.544	10	20	CDCD	
CN(Cc1ccc(N2CCCCC2)cc1)C[C@H](O)CN	841094393	XOHUMAGQJKZLDE-MRXNPFEDSA-N	277.412	1.428	10	20	CDCD	
COCCN1C(=O)C2(CC2)N[C@H]1c1cc(Cl)ccc1O	840837188	HDHDBAINWMYFCA-GFCCVEGCSA-N	296.754	1.655	10	20	CDCD	
CCc1cccc(CN2C[C@H](C)O[C@@H](CO)C2)c1O	848906008	PLVLKWHZYHQMFR-SMDDNHRTSA-N	265.353	1.536	10	20	CDCD	
C[C@H]([C@@H](C)S(C)(=O)=O)N(C)Cc1ccc(N)cc1	1334773918	BAFAFKPRHCYIDQ-GHMZBOCLSA-N	270.398	1.522	10	20	CDCD	
CN(C)C(=O)[C@@H]1CCN(C(=O)c2cc(O)cs2)C1	854934028	JQTKPGONGZVKMS-MRVPVSSYSA-N	268.338	1.004	10	20	CDCD	
C[C@H]1COCCCN1Cc1cc2c(cc1O)OC[C@H]2O	768462445	LMTKLDPXELFCSG-IINYFYTJSA-N	279.336	1.429	10	20	CDCD	
COCc1nn(C)cc1C(=O)NCc1cc(C)ccc1O	862754800	KTVJYMCFCLLGIH-UHFFFAOYSA-N	289.335	1.511	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)CCCCCNC(N)=O)c1	863937882	XTQGQSQWLXZYKK-UHFFFAOYSA-N	293.367	1.546	10	20	CDCD	
CCOC(=O)CN(CC(C)=O)Cc1ccccc1O	878728513	PKJTUIMOLNQXKY-UHFFFAOYSA-N	265.309	1.346	10	20	CDCD	
Cc1ccc(O)c(CN2CCSC[C@@H]2CO)c1	877780552	URCMCSUNSQEISP-LBPRGKRZSA-N	253.367	1.610	10	20	CDCD	
C[C@H](NC(=O)c1cn(C)cn1)c1ccc(N(C)C)cc1	773023765	KENJJBRMULSNJE-NSHDSACASA-N	272.352	1.977	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)c1coc(C2CC2)n1	777275166	NOZNTBAAGDVWMQ-UHFFFAOYSA-N	274.276	1.893	10	20	CDCD	
CNC(=O)[C@H]1CCC[C@@H]1NCc1cc(F)cc(F)c1O	883079673	ZPVHPWDIEBEISD-JQWIXIFHSA-N	284.306	1.675	10	20	CDCD	
CCNS(=O)(=O)CCN[C@@H](C)c1c(O)cccc1F	886548103	XGDPPLGZQSTTMR-VIFPVBQESA-N	290.360	1.121	10	20	CDCD	
COc1ccc(CN[C@@H](C)CCCO)c(O)c1OC	893164217	MKMLUDVDICREKS-JTQLQIEISA-N	269.341	1.660	10	20	CDCD	
COc1cc(C)cc(CN(C)CCN(C)C)c1O	894764519	VPSWLRLOZAZXGV-UHFFFAOYSA-N	252.358	1.703	10	20	CDCD	
CSCC(C)(C)NC(=O)c1cccc(O)c1O	890873991	HLIZEYSPGXXSCO-UHFFFAOYSA-N	255.339	1.969	10	20	CDCD	
CCOc1cccc(CN[C@H](CC)C(=O)O)c1O	75436152	ULYCUVXLGGZUCF-SNVBAGLBSA-N	253.298	1.744	10	20	CDCD	
COc1ccc(CNCC[C@@H](C)CCO)c(O)c1OC	894667544	HAFUUDUVXDVNLN-LLVKDONJSA-N	283.368	1.908	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](N)C1CCC1	399001030	SRYPTDLGRIOKQG-HNNXBMFYSA-N	275.396	1.838	10	20	CDCD	
C[C@H](N[C@@H](C)c1cc(F)cc(F)c1O)C(=O)N(C)C	790743434	VRBOIMBYSCLNBB-YUMQZZPRSA-N	272.295	1.798	10	20	CDCD	
CN(C)c1ccc(CNC(=O)C2(C(=O)O)CC2)cc1	737955189	OEGSMSZOVQKFBF-UHFFFAOYSA-N	262.309	1.234	10	20	CDCD	
CC(=O)N1CCC(N(C)Cc2ccccc2O)CC1	768872951	MOLSAWRJLWCFRA-UHFFFAOYSA-N	262.353	1.835	10	20	CDCD	
C[C@H](CN(C)Cc1ccccc1O)S(C)(=O)=O	1325192129	XBTRUUQEMYDLAG-SNVBAGLBSA-N	257.355	1.257	10	20	CDCD	
CN(C(=O)NCc1ccc(N)cc1)[C@@H]1CCC[C@H]1O	1262603715	SIHUEBKUAQCQEW-CHWSQXEVSA-N	263.341	1.324	10	20	CDCD	
Cc1ccc(CN2CCN(C)C[C@H](C(=O)O)C2)c(O)c1	1600413617	MVFXWMLZRVFUHN-ZDUSSCGKSA-N	278.352	1.149	10	20	CDCD	
Cc1cc(C)c(O)c(CN2CCOC[C@@H]2CC(=O)O)c1	1607620820	JPGQHYWTSXADEY-ZDUSSCGKSA-N	279.336	1.685	10	20	CDCD	
COCCN(CCN(C)C)Cc1ccc(N)cc1	1579026360	RLQYVKZJDRMVMS-UHFFFAOYSA-N	251.374	1.279	10	20	CDCD	
COC(=O)C[C@@H](C)CC(=O)NCCc1ccc(N)cc1	1578802931	UWBCHEHQLXHTIR-NSHDSACASA-N	278.352	1.517	10	20	CDCD	
C[C@@H]1[C@H](C(=O)O)CCN1C(=O)c1c(F)ccc(O)c1O	1594156204	KEAZOWRIEMVSLB-RNFRBKRXSA-N	283.255	1.172	10	20	CDCD	
O=C(O)C[C@@H]1CCCN(C(=O)c2c(F)ccc(O)c2O)C1	1594990483	FHSXCJMSTFOHSC-QMMMGPOBSA-N	297.282	1.564	10	20	CDCD	
O=C(O)[C@@H](Cc1ccncc1)NCc1ccccc1O	1594840607	CUGANIBMKAPZCN-CYBMUJFWSA-N	272.304	1.573	10	20	CDCD	
CN(C(=O)[C@@H]1CCn2ccnc2C1)c1ccc(N)cc1	877074945	VOUKBYZBQBJAIY-LLVKDONJSA-N	270.336	1.691	10	20	CDCD	
CO[C@@H]1CCC[C@H]1NCc1cc2c(cc1O)OCO2	50372238	VXCKUJOPQOEUFE-ZYHUDNBSSA-N	265.309	1.778	10	20	CDCD	
Cc1cccc(CN2C[C@@H](C)S(=O)(=O)[C@H](C)C2)c1O	401054039	MHKVRVNAHQIRMN-VXGBXAGGSA-N	283.393	1.708	10	20	CDCD	
Cc1cccc(CN2C[C@H](C)S(=O)(=O)[C@H](C)C2)c1O	401054036	MHKVRVNAHQIRMN-TXEJJXNPSA-N	283.393	1.708	10	20	CDCD	
COc1ccc(CNCc2csnn2)c(O)c1	398441133	XYIFCQIWVQRNOI-UHFFFAOYSA-N	251.311	1.542	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NCCc1cscn1	181055633	IXBVLUVLCDFISA-DUXPYHPUSA-N	290.344	1.926	10	20	CDCD	
COc1ccc(O)c(CNCc2cccc(C(N)=O)c2)c1	36902965	IJIWTQNSIOJMTI-UHFFFAOYSA-N	286.331	1.790	10	20	CDCD	
COC(=O)COc1ccc(N(C)C[C@H](C)OC)cc1	183796952	GNHQGJHJIXLZJE-NSHDSACASA-N	267.325	1.710	10	20	CDCD	
CCOc1ccc(O)c(CN[C@@H]2C(=O)NCC[C@H]2C)c1	193687570	SARGMFAFNGRNSK-YGRLFVJLSA-N	278.352	1.405	10	20	CDCD	
COc1ccc(O)c([C@H](C)NCc2nnc(C)o2)c1	182426679	RANDWQVYJGFMJP-QMMMGPOBSA-N	263.297	1.943	10	20	CDCD	
Cc1nc(C)c(S(=O)(=O)NCc2ccccc2O)s1	269686192	HMCGDIQGNFNQFT-UHFFFAOYSA-N	298.389	1.944	10	20	CDCD	
Cc1c(CNC2=NCCCN2)n(C)c2ccccc12	262365249	LAHXFBRRDBWBHW-UHFFFAOYSA-N	256.353	1.926	10	20	CDCD	
COC(=O)CC1(NCc2cccc(C)c2O)CCOCC1	271993094	RNPIGIYMFILVIH-UHFFFAOYSA-N	293.363	1.903	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1ccco1	274910127	IRAHFIGPFFDURL-JTQLQIEISA-N	275.304	1.981	10	20	CDCD	
C[C@@H](NCc1cc([N+](=O)[O-])ccc1O)c1ncn(C)n1	275849281	RJARAQPZUVQFQU-MRVPVSSYSA-N	277.284	1.280	10	20	CDCD	
Cc1ncc(COC(=O)/C=C\c2ccc(O)c(O)c2)cn1	803399992	MIGLXPVMTRLBFV-HYXAFXHYSA-N	286.287	1.953	10	20	CDCD	
COC(=O)[C@H]1COCCN1Cc1ccc(N(C)C)c(C)c1	293745442	IDPMFBDLAPLJGX-OAHLLOKOSA-N	292.379	1.435	10	20	CDCD	
CCOC1CN(c2cc(OC)c(OC)cc2[N+](=O)[O-])C1	294001275	JONLVHGHYSGEEC-UHFFFAOYSA-N	282.296	1.837	10	20	CDCD	
COCCN(CCN(C)C)Cc1ccc(N(C)C)c(F)c1	809740851	KJVYNIOQKLENJS-UHFFFAOYSA-N	297.418	1.902	10	20	CDCD	
CN1CCC[C@]2(CCN(C(=O)c3cccc(O)c3O)C2)C1	294209468	QMNWECLUBCDMBC-INIZCTEOSA-N	290.363	1.656	10	20	CDCD	
CC[C@@H](CNC(=O)NCc1cccc(OC)c1O)OC	290977211	CKMKINXPZVQGGO-NSHDSACASA-N	282.340	1.625	10	20	CDCD	
Cn1c(NC(=O)c2cc(O)cs2)nc2cccnc21	807259001	DITBGGRENWZACB-UHFFFAOYSA-N	274.305	1.988	10	20	CDCD	
COc1cccc(CNC(=O)NCCCC(=O)O)c1O	818622355	BCMAXCLFHRHEOU-UHFFFAOYSA-N	282.296	1.065	10	20	CDCD	
Nc1ccc(NC(=O)C(=O)NC[C@@H]2C[C@H]3C=C[C@H]2CC3)cc1	817987595	UOQBMRSTICDEAQ-AVGNSLFASA-N	299.374	1.926	10	20	CDCD	
C[C@H](NC[C@@H](N)C1CC1)c1cc([N+](=O)[O-])ccc1O	817964500	AQHPGRNGWOUSDV-QPUJVOFHSA-N	265.313	1.688	10	20	CDCD	
Cc1ccn(CC(=O)N(C)Cc2ccccc2O)n1	825481778	VEEYWWILXXVNLE-UHFFFAOYSA-N	259.309	1.556	10	20	CDCD	
CN(C)c1ccc([C@H](CNCC2(O)CCC2)N(C)C)cc1	905704269	MRTQMQUDKFEFGP-INIZCTEOSA-N	291.439	1.860	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@H](O)C(C)(C)C)c1	735857574	ANWZIIOXICMVRD-RNCFNFMXSA-N	281.352	1.985	10	20	CDCD	
COC1CCN(CCNC(=O)Cc2ccc(N)cc2)CC1	831088489	AOBYPEVWDBJHHG-UHFFFAOYSA-N	291.395	1.038	10	20	CDCD	
O=C(NCCOC[C@H]1CCCO1)NCc1ccccc1O	734663974	RJDLALTVRDSDDZ-CYBMUJFWSA-N	294.351	1.387	10	20	CDCD	
CC[C@@H](O)[C@@H](C)C(=O)NCc1cc(OC)ccc1O	901129859	HVLZPFLGHAUDDJ-BXKDBHETSA-N	267.325	1.424	10	20	CDCD	
C[C@@H](NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)C(=O)O	904273072	PZHXQWMGBZGKCO-RISCZKNCSA-N	279.384	1.418	10	20	CDCD	
CCC1(C(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)COC1	832267286	POBKETQPVAQJCM-CQSZACIVSA-N	291.395	1.295	10	20	CDCD	
CCCC1(CNC(=O)C(=O)Nc2ccc(N)cc2)CC1	841067966	IFSZNQJJPJIEKP-UHFFFAOYSA-N	275.352	1.904	10	20	CDCD	
COC[C@H]1C[C@@H](O)CN1Cc1ccc(N(C)C)cc1C	846053007	LYOQMUXTGJTMQK-HZPDHXFCSA-N	278.396	1.643	10	20	CDCD	
CN(C)c1ccc([C@H](N)CNS(=O)(=O)C2(C)CC2)cc1	842784508	HHLRZBFOIVETFS-CYBMUJFWSA-N	297.424	1.224	10	20	CDCD	
C[C@H](CNCc1ccc(N2CCN(C)CC2)cc1)C(=O)O	848637932	NQAFENIAAOJRCH-CYBMUJFWSA-N	291.395	1.249	10	20	CDCD	
CCN(CC)c1ccc(CN(C)[C@@H](C)C(N)=O)cc1	741677892	DWVFFKOQIBWIEY-LBPRGKRZSA-N	263.385	1.838	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCC[C@H]1CN1CCOCC1	743728613	UKYHCDQWKNUAAI-NSHDSACASA-N	296.392	1.391	10	20	CDCD	
CN(C)c1ccc(CN[C@@H]2[C@H]3C[C@@H]4CN[C@H]2[C@H]4C3)cc1F	925530155	OKEVKSHHHBKYCU-DCRFOKDXSA-N	289.398	1.978	10	20	CDCD	
C[C@@H](NCCOCCF)c1cc([N+](=O)[O-])ccc1O	853238383	HTINKXATWSJWIS-SECBINFHSA-N	272.276	1.937	10	20	CDCD	
COc1ccc(O)c(CN2CC[C@H](C)[C@@H](CO)C2)c1	857061174	LEVNLAQBPFFZBE-WCQYABFASA-N	265.353	1.851	10	20	CDCD	
CCOC(=O)/C(=C\c1cn(C)nc1C)c1nccn1C	755589218	OWQDYFMNJDSJMZ-WQLSENKSSA-N	274.324	1.566	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@H]2C[C@@]23CCOC3)c1	862756932	BAPFCEOTUXAFFJ-IUODEOHRSA-N	261.321	1.743	10	20	CDCD	
CC[C@@H](NC(C)=O)C(=O)N[C@@H](C)c1cc(OC)ccc1O	866765042	QDPMGOJGOSMNLB-TVQRCGJNSA-N	294.351	1.493	10	20	CDCD	
CN(C)c1cc(F)c(CN2CC[C@H](CC(N)=O)C2)cc1F	862368527	IYAJRJVWCTVNMJ-SNVBAGLBSA-N	297.349	1.728	10	20	CDCD	
Cc1ccc(O)c(CNCc2nnnn2CC2CC2)c1	769934642	NBWIUPTZEGUKEE-UHFFFAOYSA-N	273.340	1.387	10	20	CDCD	
CCCN(CC(=O)NC)Cc1cc(F)c(N(C)C)cc1F	862232362	WWLIRAREOOZJOL-UHFFFAOYSA-N	299.365	1.989	10	20	CDCD	
CCC[C@H](CNC(=O)C(=O)Nc1ccc(N)cc1)OCC	861507800	CDVUWMXOGBGGCR-CYBMUJFWSA-N	293.367	1.529	10	20	CDCD	
CCn1ncc(C(=O)NCCc2ccc(O)c(O)c2)c1C	866756943	DMGQDUIRZYXBQH-UHFFFAOYSA-N	289.335	1.595	10	20	CDCD	
CCCOc1ccc(CN[C@@H](COC)C(=O)O)cc1C	871874368	LYZPSXAMMQIROL-ZDUSSCGKSA-N	281.352	1.973	10	20	CDCD	
Cc1ccc(CNCCCO[C@H]2CCOC2)c(O)c1	877086764	AKAPUYBZPPAFPK-AWEZNQCLSA-N	265.353	1.986	10	20	CDCD	
CN(C(=O)CCCNC(=O)C1CC1)c1ccc(N)cc1	877080106	GTDOHGBDZSLFLY-UHFFFAOYSA-N	275.352	1.538	10	20	CDCD	
CN1CCN(Cc2ccc(N3CCN(C)CC3)cc2)CC1	775633977	NNPMVYUNSIANSQ-UHFFFAOYSA-N	288.439	1.186	10	20	CDCD	
O=C(Cc1ccc2c(c1)CCO2)NCc1ccc(O)c(O)c1	778926477	VJWXIAGQDVAIDD-UHFFFAOYSA-N	299.326	1.892	10	20	CDCD	
COC[C@H]1CN(Cc2c(O)cccc2OC)C[C@H](C)O1	784668624	SBQMTUYXAZESGX-NWDGAFQWSA-N	281.352	1.637	10	20	CDCD	
COc1ccc(CN2CC(=O)NCC2(C)C)c(O)c1OC	894263243	PFHHJLHPOZRXLU-UHFFFAOYSA-N	294.351	1.120	10	20	CDCD	
CCOc1ccc(O)c(CN2CC(COC)C2)c1	895971012	JNAWRHYSVMZECS-UHFFFAOYSA-N	251.326	1.869	10	20	CDCD	
CCOc1cccc(CN2C[C@H](C)[C@H](O)C2)c1O	897684048	JXGBVSSGDVOKPB-CMPLNLGQSA-N	251.326	1.604	10	20	CDCD	
COc1cc(Cl)cc(CN[C@H]2C[C@@H](CO)C2)c1O	707630455	DKKHNYXRLDSZFD-DKTWLAJQSA-N	271.744	1.915	10	20	CDCD	
CCC[C@@H](CCO)NCc1cc2c(cc1O)OCO2	716934663	MTFYQIJQQHEJIK-NSHDSACASA-N	267.325	1.762	10	20	CDCD	
CC(C)[C@H]1CCN1C(=O)C(=O)NCCc1ccc(N)cc1	1325746782	TWPZQECXJVTNTM-CQSZACIVSA-N	289.379	1.184	10	20	CDCD	
O=C(O)[C@@H](CNCc1cc([N+](=O)[O-])ccc1O)CC1CC1	1328619839	OCXQDJSYIDSUTF-LLVKDONJSA-N	294.307	1.891	10	20	CDCD	
CC(C)[C@@]1(CO)CCN(C(=O)NCc2ccc(N)cc2)C1	1337017681	BHNGMRDMCFQHRO-INIZCTEOSA-N	291.395	1.819	10	20	CDCD	
C=CC(=O)N(C)CC(=O)N(CCC)Cc1ccccc1O	1331672803	LLJRVNPKBQYQEK-UHFFFAOYSA-N	290.363	1.775	10	20	CDCD	
CN1CCC[C@@H](NCc2ccc(N3CCCC3)cc2)C1=O	1331248780	ANFIYXCCRPTVEZ-MRXNPFEDSA-N	287.407	1.997	10	20	CDCD	
Cc1nn(C)cc1[C@@H](C)NC(=O)NCc1ccc(N)cc1	1357211423	XEOYDRCODJXQDL-SNVBAGLBSA-N	287.367	1.871	10	20	CDCD	
Nc1ccc(CN[C@@H](CO)[C@H]2CCCOC2)cc1	1356083334	NLRFTEKLSCQBAO-JSGCOSHPSA-N	250.342	1.146	10	20	CDCD	
Cc1cc(C(=O)NCCCON)c(C)n1-c1ccccn1	1523373646	FRLGEDIHMNRDLX-UHFFFAOYSA-N	288.351	1.499	10	20	CDCD	
COc1ccc(O)c(CN[C@@H](C(=O)O)c2ccn(C)n2)c1	1607277447	AKSPYKFRRBDWGA-CYBMUJFWSA-N	291.307	1.050	10	20	CDCD	
CCOc1ccc(CNCC2(C(=O)O)CC2)c(O)c1	1605691671	GZHWWWPXHQEQJE-UHFFFAOYSA-N	265.309	1.745	10	20	CDCD	
C[C@H](CC(=O)O)NC(=O)NCc1ccc(N(C)C)cc1	1603124997	BMSUADCLQLXEBD-SNVBAGLBSA-N	279.340	1.415	10	20	CDCD	
O=C(O)c1cc(NCc2cc(O)ccc2O)ncn1	1602287106	FOBOHMGEJIGMRR-UHFFFAOYSA-N	261.237	1.198	10	20	CDCD	
CNC1CC(C(=O)NCc2cccc(Cl)c2O)C1	1578595430	YQOBSUATRUUQND-UHFFFAOYSA-N	268.744	1.660	10	20	CDCD	
Cc1ccc(C(=O)N[C@@](C)(CN)CC(C)C)c(O)c1O	1579661258	RGEXSKCFGHXNHG-OAHLLOKOSA-N	280.368	1.900	10	20	CDCD	
Cc1cc(O)c(CNC[C@]2(C)CNCCO2)c(Cl)c1	1579638282	UQYSVAZMGOPOKJ-AWEZNQCLSA-N	284.787	1.822	10	20	CDCD	
N[C@@H]1Cc2ccccc2N(C(=O)/C=C\c2cncc(O)c2)C1	1580207533	VPAZNFROTHOIQZ-GEXIGZQTSA-N	295.342	1.717	10	20	CDCD	
C/C(=C\CNC(=O)NCc1cc(C)ccc1O)C(=O)O	1588975407	YQZVDFYIGILOQK-BJMVGYQFSA-N	278.308	1.531	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H](C)CC(=O)O)c1O	1594048943	ZCKMTPHMURTYRQ-ZETCQYMHSA-N	284.268	1.262	10	20	CDCD	
COc1ccc(O)c([C@H](C)NS(=O)(=O)CCCF)c1	161158539	YKKLDHLDEFQXBQ-VIFPVBQESA-N	291.344	1.741	10	20	CDCD	
CN(CCCCS(C)(=O)=O)Cc1ccccc1O	163015834	SCXFPIKMALFBDR-UHFFFAOYSA-N	271.382	1.649	10	20	CDCD	
CN(Cc1ncc(Cl)n1C)C(=O)Cc1ccc(N)cc1	831534491	JBJYIYIKUUPIFN-UHFFFAOYSA-N	292.770	1.857	10	20	CDCD	
C[C@@H](NC[C@@H]1CCCNC1=O)c1cc(F)ccc1O	840826350	UMUFMVKPVPWGIM-ZJUUUORDSA-N	266.316	1.708	10	20	CDCD	
CN(C)CCOc1ccc(N(C)Cc2cnc[nH]2)cc1	894462575	YVJUPKVBHJHYAA-UHFFFAOYSA-N	274.368	1.987	10	20	CDCD	
CC(=O)NC1CCN(Cc2cccc(C)c2O)CC1	135748987	IQWVKIARJMRORO-UHFFFAOYSA-N	262.353	1.801	10	20	CDCD	
CCOc1cccc(CN(C)CCC(N)=O)c1O	289514691	GVXVTGJUVYTZJJ-UHFFFAOYSA-N	252.314	1.098	10	20	CDCD	
CCN1C[C@H](N[C@H](C)c2cc(F)ccc2O)CC1=O	391524137	DYCAOOZNDJALBJ-MWLCHTKSSA-N	266.316	1.803	10	20	CDCD	
CN(C)c1ccc(CNCCC[S@](C)=O)cc1	116919535	VELSHNKJWOMMQA-QGZVFWFLSA-N	254.399	1.611	10	20	CDCD	
COC(=O)[C@H](C)N[C@@H](C)c1ccc(N(C)C)cc1	37303074	YILFIIKGLBYVIV-QWRGUYRKSA-N	250.342	1.965	10	20	CDCD	
CN[C@@H]1CCN(Cc2cc(Br)ccc2O)C1	219381850	XZSFHHIAAKJFAP-LLVKDONJSA-N	285.185	1.948	10	20	CDCD	
CCCN1CCCN(Cc2cc(OC)ccc2O)CC1=O	189217656	BCFVIWPMNYOTTN-UHFFFAOYSA-N	292.379	1.845	10	20	CDCD	
CCCN(CCO)C(=O)c1ccc(C)c(O)c1O	181918358	PRSOPTRENPFKSI-UHFFFAOYSA-N	253.298	1.251	10	20	CDCD	
COCC[C@@](C)(O)CNCc1cc(F)ccc1O	180727827	JJSYVBIJPXLJHB-CYBMUJFWSA-N	257.305	1.408	10	20	CDCD	
Cc1c(CN=c2nc3ncccn3[nH]2)n(C)c2ccccc12	352535396	QBCURUDOPMUZKJ-UHFFFAOYSA-N	292.346	1.958	10	20	CDCD	
C[C@H](COCC(F)(F)F)NC(=O)Cc1ccc(N)cc1	269239504	WUSQGEAWGXCGCP-SECBINFHSA-N	290.285	1.895	10	20	CDCD	
CN(Cc1ccc(N2CCOCC2)cc1)CC(C)(C)O	270792134	RSQHCNNBTWXIRS-UHFFFAOYSA-N	278.396	1.726	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)C1CCN(C2CC2)CC1	279960987	SUHLASFATJOTJL-UHFFFAOYSA-N	290.363	1.588	10	20	CDCD	
COC[C@@H](NCc1cc2c(cc1O)OCO2)[C@H]1CCCO1	278784936	ZQBGMNAXIKVBSP-DGCLKSJQSA-N	295.335	1.405	10	20	CDCD	
Cc1ccc(O)c(CN=c2[nH]ncn2-c2cccnc2)c1	367490492	OXNGCFOZLVWSMP-UHFFFAOYSA-N	281.319	1.710	10	20	CDCD	
COC[C@@H](O)CN[C@H](C)c1cc2c(cc1O)CCCC2	273367505	BRVJGBOZMIMSSV-RISCZKNCSA-N	279.380	1.929	10	20	CDCD	
CCN(Cc1cc(C)c(C)cc1O)[C@H]1CCNC1=O	281821999	RDDTYWWLCSTXSO-ZDUSSCGKSA-N	262.353	1.719	10	20	CDCD	
COCC[C@H](CO)N[C@@H](C)c1cc([N+](=O)[O-])ccc1O	281797539	YECDCEUIRSOAJK-VHSXEESVSA-N	284.312	1.348	10	20	CDCD	
Cc1cc(O)c(CN2CC[C@](F)(CO)C2)cc1C	802660598	QSULHISYQIVFKV-CQSZACIVSA-N	253.317	1.915	10	20	CDCD	
CCOc1cccc(CNCCN2CCC(O)CC2)c1O	294864200	ONMOEDNZVGONGC-UHFFFAOYSA-N	294.395	1.337	10	20	CDCD	
C[C@H](NC[C@H](C)CN)c1cc([N+](=O)[O-])ccc1O	817962236	JRWUZZZIAWIAFR-BDAKNGLRSA-N	253.302	1.546	10	20	CDCD	
CCCNS(=O)(=O)N[C@H](C)c1cc(OC)ccc1O	813673410	SFWNQFAFMZQMBA-SECBINFHSA-N	288.369	1.296	10	20	CDCD	
CCNC(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1	818049152	VVUWDGDWOXALSI-LBPRGKRZSA-N	277.368	1.841	10	20	CDCD	
CN1CC[C@](O)(CNCc2ccc3ccccc3c2O)C1	816570287	PFZJDKSCRQCEKS-KRWDZBQOSA-N	286.375	1.702	10	20	CDCD	
OC[C@@]12C[C@H]1CN(Cc1ccc(Br)cc1O)C2	825628964	OETXADPOSCURSY-GWCFXTLKSA-N	298.180	1.969	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)CCNC(C)C)c1	828667145	NEPWRLQHWWHYMP-NSHDSACASA-N	280.368	1.966	10	20	CDCD	
Oc1ccc(CCNc2ccc(-c3nn[nH]n3)cc2)cc1O	823727086	NFGHWFANHKMELA-UHFFFAOYSA-N	297.318	1.933	10	20	CDCD	
CN1CCC(CN(C)C(=O)c2cc(O)cs2)CC1	732287365	VOYJXHRQQFLIIU-UHFFFAOYSA-N	268.382	1.868	10	20	CDCD	
C[C@H](N[C@@H]1CC[C@H](C(N)=O)C1)c1cc([N+](=O)[O-])ccc1O	834907427	RIEXQCUWUPZOHB-LPEHRKFASA-N	293.323	1.605	10	20	CDCD	
CCCN(Cc1cc(O)n2ncc(C(=O)O)c2n1)C1CC1	737827832	ISOFXWVQKOUKKM-UHFFFAOYSA-N	290.323	1.508	10	20	CDCD	
CCOc1ccc(CN2CC(C(C)(C)O)C2)c(O)c1	839140112	NVKHYAXDVKIVFJ-UHFFFAOYSA-N	265.353	1.994	10	20	CDCD	
CCOc1ccc(CN2CC[C@@H]3CNC[C@@H]32)c(O)c1	841026585	KEADKVOQVGZLLL-RISCZKNCSA-N	262.353	1.585	10	20	CDCD	
C[C@@H]1OCC[C@@H]1NC[C@@H](N)c1ccc(N(C)C)cc1	841045714	OTJMIFVVWQPSAE-GLQYFDAESA-N	263.385	1.519	10	20	CDCD	
Cc1cc(N(C)C)ccc1C[C@H](C)N=c1nc[nH]n1C	846750926	ILRNZPNBSHUGFE-LBPRGKRZSA-N	273.384	1.655	10	20	CDCD	
COc1cccc([C@@H](C)N[C@H](C)CN2CCOCC2)c1O	846140144	HKHAOUSXGREETN-CHWSQXEVSA-N	294.395	1.772	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)NCC(C)(C)N)c1	841951129	RKEPVHRDRCVDRE-VIFPVBQESA-N	281.356	1.498	10	20	CDCD	
CO[C@@H]1COC[C@@H]1N[C@@H](C)c1cc(F)cc(F)c1O	840826050	FYNGVDOHKMYPJR-CQFDHEJISA-N	273.279	1.735	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)NCC1(C)CCNCC1	841968965	GCTPWGWYLHOSHJ-UHFFFAOYSA-N	291.395	1.923	10	20	CDCD	
CN(CCOCC1CC1)C(=O)c1cc(O)cs1	755873941	WNPFSQYEYLGWFZ-UHFFFAOYSA-N	255.339	1.952	10	20	CDCD	
CO[C@@](C)(C(=O)O)C(=O)N(C)Cc1ccc(N(C)C)cc1	852943743	YFVGMRDNPPPFKO-OAHLLOKOSA-N	294.351	1.201	10	20	CDCD	
O=C(NCC1SCCS1)c1c(F)ccc(O)c1O	857331847	JGVKIDVADHOIKG-UHFFFAOYSA-N	289.353	1.773	10	20	CDCD	
C[C@H]1CN(Cc2cc3c(cc2O)OC[C@H]3O)CC(C)(C)O1	768441526	DBSYLOXVBRPXTE-IINYFYTJSA-N	293.363	1.817	10	20	CDCD	
COc1cccc(CNC(=O)CCc2cc(C)on2)c1O	934939884	DOTCJARLGGEZEZ-UHFFFAOYSA-N	290.319	1.946	10	20	CDCD	
CC[C@H](C)N(CCO)Cc1ccc([N+](=O)[O-])c(OC)c1O	862387125	HEBKKNNCETXQEL-JTQLQIEISA-N	298.339	1.902	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)NCc1cccnn1	767880115	IFOIREFZVCRKQX-UHFFFAOYSA-N	299.378	1.850	10	20	CDCD	
CCN(C)c1ccc(CN[C@H](CO)c2cnn(C)c2)cc1	773839162	MQNNSBRBHCVKMN-MRXNPFEDSA-N	288.395	1.699	10	20	CDCD	
Cc1cc(C(=O)N(C)C[C@H](C)N)c(C)n1-c1ccccn1	877103163	KGGWOHOIGXBUIA-NSHDSACASA-N	286.379	1.908	10	20	CDCD	
Oc1ccc(F)cc1CN[C@@]12CCC[C@@H]1NCC2	873229926	IYHONMDRUUPOFN-UONOGXRCSA-N	250.317	1.906	10	20	CDCD	
CN(C)c1ccc(CNC[C@](C)(CC(=O)O)C(=O)O)cc1	1119550392	GEGFIXJBAITCBG-HNNXBMFYSA-N	294.351	1.408	10	20	CDCD	
COC(=O)C[C@H]1CN(Cc2c(C)cccc2O)CCO1	876746636	MKIWMSFXRJKOOW-LBPRGKRZSA-N	279.336	1.465	10	20	CDCD	
C[C@H](CC(N)=O)NC(=O)N[C@H](C)c1ccc(N(C)C)cc1	776237529	BKIKDGDHJFKJBA-GHMZBOCLSA-N	292.383	1.377	10	20	CDCD	
CCCOc1ccc(CNCC(=O)N(C)C)cc1C	873007771	FEOWQJZXCZSINR-UHFFFAOYSA-N	264.369	1.962	10	20	CDCD	
CCN(C)c1ccc(CN2C[C@@H]3C[C@]3(CO)C2)cc1	773889582	YCJQCIYCVUTSJR-GOEBONIOSA-N	260.381	1.957	10	20	CDCD	
Cc1cc(C(=O)N2CC[C@H]2CO)c(C)n1-c1ccccn1	889132470	JNMIACQNXNNROK-ZDUSSCGKSA-N	285.347	1.696	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNCCSC)c1O	774942109	HKIOSEQHDZILMY-UHFFFAOYSA-N	272.326	1.762	10	20	CDCD	
CC(=O)N1C[C@@H]2CN(Cc3ccc(N(C)C)cc3)C[C@@H]2C1	880312835	WQOWLIVRAOJJRR-IYBDPMFKSA-N	287.407	1.663	10	20	CDCD	
COc1ccc(CNCCCn2cccn2)c(O)c1OC	892525449	ZDCRJSMHSLJXAX-UHFFFAOYSA-N	291.351	1.786	10	20	CDCD	
COc1ccc(CNCCCCN(C)C)c(O)c1OC	892739494	DPJDNTYKUQCKCP-UHFFFAOYSA-N	282.384	1.841	10	20	CDCD	
Cc1ccc(O)c(CNc2c([N+](=O)[O-])cnn2C)c1	894726403	SQCGFNXKLLJAGX-UHFFFAOYSA-N	262.269	1.954	10	20	CDCD	
C[C@H]1CN2CCC[C@@H]2CN1C(=O)Cc1ccc(N)cc1	94456673	PFTWSXAKJXMKFB-SWLSCSKDSA-N	273.380	1.506	10	20	CDCD	
NCCCCNC(=O)NCc1ccc(N2CC=CC2)cc1	1325312397	YABOBKKKEOUIRY-UHFFFAOYSA-N	288.395	1.601	10	20	CDCD	
O=C(O)C[C@H](NCc1cc([N+](=O)[O-])ccc1O)C1CC1	1320748459	GDLARXWSOUNBJD-NSHDSACASA-N	280.280	1.643	10	20	CDCD	
COC[C@@H]1CCCN1C(=O)NCc1ccc(N)cc1	1337017975	GDBXQRZIRHUASN-ZDUSSCGKSA-N	263.341	1.589	10	20	CDCD	
Nc1ccc(CNC(=O)N2CCC(CCO)CC2)cc1	1338793718	SWVXIBNBCXGYDZ-UHFFFAOYSA-N	277.368	1.573	10	20	CDCD	
Nc1ccc(CN2CCN(CC3CCOCC3)CC2)cc1	1335286197	VYQRSSHNLZRIMY-UHFFFAOYSA-N	289.423	1.813	10	20	CDCD	
CN(Cc1ccccc1O)c1nnnn1C(C)(C)C	1351032010	JYPBPCGARBUPFQ-UHFFFAOYSA-N	261.329	1.770	10	20	CDCD	
CC(Cl)(Cl)C(=O)NCc1cccc(O)c1O	1520509226	SAMNOLUMTXCXBJ-UHFFFAOYSA-N	264.108	1.908	10	20	CDCD	
CC(C)NC(=O)CN[C@H](C)c1cc(C(=O)O)ccc1O	1603899102	AVEXVCWPLGKAPY-SECBINFHSA-N	280.324	1.266	10	20	CDCD	
CNC(=O)[C@]1(C)CCN(Cc2cccc(C)c2O)C1	228099220	HNCWPOLWXAGNAB-OAHLLOKOSA-N	262.353	1.659	10	20	CDCD	
CC(C)C1(S(=O)(=O)NCc2ccc(N)cc2)CC1	1575496041	KEOZMOXXNKHDAI-UHFFFAOYSA-N	268.382	1.877	10	20	CDCD	
C[C@@H](N[C@H]1CCCOC1)c1cccc(-c2nn[nH]n2)c1O	1589978007	DVBYDKQENFLRAE-ZJUUUORDSA-N	289.339	1.402	10	20	CDCD	
Oc1ccc(CCNc2ccc(-c3nn[nH]n3)nc2)cc1O	1593540858	VMINGDZOEUAOSA-UHFFFAOYSA-N	298.306	1.328	10	20	CDCD	
CCCNC(=O)CN(C)c1ccc(OCC(=O)O)cc1	1595921831	LPVICMFUVZXYHG-UHFFFAOYSA-N	280.324	1.112	10	20	CDCD	
COc1cc(CN2C[C@@H](C(=O)O)O[C@H](C)C2)c(O)cc1C	1599408044	CSWTWTKXMHINIL-YGRLFVJLSA-N	295.335	1.383	10	20	CDCD	
CN1CC[C@@H](NCc2cc(Br)ccc2O)C1	163887796	VNCUTGCAGHONEO-LLVKDONJSA-N	285.185	1.948	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)CS(=O)(=O)C(C)(C)C	156214984	ZSNKHOIOOPTBKP-UHFFFAOYSA-N	299.392	1.564	10	20	CDCD	
CCN(CC)C(=O)CN(C)C(=O)c1cccc(O)c1O	126294132	RDXMHJVOCAJQJC-UHFFFAOYSA-N	280.324	1.038	10	20	CDCD	
COc1cc(N(C)CC[C@@H](C)O)cc(OC)c1OC	827883015	ANLSWUAJAHNNJD-SNVBAGLBSA-N	269.341	1.920	10	20	CDCD	
Cc1ccc([C@H](C)NCCS(=O)(=O)C2CC2)c(O)c1	840884989	UDDPKCWJXGFMJL-NSHDSACASA-N	283.393	1.928	10	20	CDCD	
Cc1ccc(CN[C@@H]2CCCN(S(C)(=O)=O)C2)c(O)c1	876974422	HBGQFWLIVHAHDK-CYBMUJFWSA-N	298.408	1.214	10	20	CDCD	
C[C@@H](NCC1([S@@](C)=O)CC1)c1ccccc1O	282421697	SRTNNNUDQYIAOH-BMLIUANNSA-N	253.367	1.954	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)c1cc([N+](=O)[O-])c[nH]1	394912238	AMBMKSWMLPHIJA-UHFFFAOYSA-N	275.264	1.901	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@H]2CC[C@H]2C(=O)O)cc1	397109778	SIEPJXBHVABWQM-QWHCGFSZSA-N	276.336	1.480	10	20	CDCD	
CON(C)C(=O)CNCc1cc(Cl)ccc1O	397535011	OFEHWJJQXWVGJD-UHFFFAOYSA-N	258.705	1.155	10	20	CDCD	
Cc1ccc(O)c(CN2CCN(C[C@H](C)O)CC2)c1	189862739	RBBRZZQJBFEOGM-ZDUSSCGKSA-N	264.369	1.199	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H](C(N)=O)C(C)(C)C)c(O)c1O	182393132	HQOCKZNGUXTUEN-NSHDSACASA-N	280.324	1.036	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2ccc(C#N)c(O)c2)c1	188499335	ROUWHICTSKHJND-UHFFFAOYSA-N	298.298	1.908	10	20	CDCD	
C[C@@H](N)[C@@H](C)C(=O)NCc1ccc2c(c1)CCCN2C	192104549	NAJNSQABSQZCKM-VXGBXAGGSA-N	275.396	1.669	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)Cn1cncn1	42035428	FGWXMRVFSUKUFY-UHFFFAOYSA-N	287.367	1.393	10	20	CDCD	
COCCCCC(=O)NCCc1ccc(N)cc1	237175787	FUBRRAUSVKRRQB-UHFFFAOYSA-N	250.342	1.744	10	20	CDCD	
C[C@@H](CCCO)NCc1cc2c(cc1O)OCO2	94941932	UCHZATBTZBMSNF-VIFPVBQESA-N	253.298	1.372	10	20	CDCD	
COc1cccc(CNC(=O)NC2CC(C)C2)c1O	267941464	BHWXHLLQZHXDNQ-UHFFFAOYSA-N	264.325	1.999	10	20	CDCD	
COc1cccc(CNC(=O)COC2CCCC2)c1O	264274263	OHXFJALBFNWADG-UHFFFAOYSA-N	279.336	1.976	10	20	CDCD	
CCOC(=O)NCCCC(=O)NCc1ccc(O)c(O)c1	272204428	BAJZBSFJMVQHLL-UHFFFAOYSA-N	296.323	1.240	10	20	CDCD	
CCCn1cc(C(=O)NCc2ccccc2O)cn1	272758717	FRZILYFZXWVXCI-UHFFFAOYSA-N	259.309	1.929	10	20	CDCD	
CN1CCCc2cc(CNC(=O)CCCC(N)=O)ccc21	274999340	UKDSCDUKPHHJLF-UHFFFAOYSA-N	289.379	1.341	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)NCCC(C)(C)O)c1	274793832	OVCLDLQFELUMTB-JTQLQIEISA-N	281.352	1.990	10	20	CDCD	
CCCN(CN1CCC(=O)CC1)c1ccc(CN)cc1	278302464	DNYOUHPISHYRME-UHFFFAOYSA-N	275.396	1.984	10	20	CDCD	
CCn1cc(CNC(=O)N(C)Cc2ccccc2O)cn1	288115357	JYHPSGFPGTVZFZ-UHFFFAOYSA-N	288.351	1.950	10	20	CDCD	
CO[C@H]1COC[C@@H]1NCc1cc(Cl)cc(C(C)=O)c1O	290211476	VEIPTNMQMYGMLH-STQMWFEESA-N	299.754	1.752	10	20	CDCD	
CC[C@@H](CNS(C)(=O)=O)N[C@@H](C)c1ccccc1O	296540044	QWZBSWOEURSSRN-QWRGUYRKSA-N	286.397	1.371	10	20	CDCD	
O=C(N[C@H]1CCSC1)c1c(F)ccc(O)c1O	295030666	RLWBYLOCMREFLP-LURJTMIESA-N	257.286	1.472	10	20	CDCD	
CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)C(C)=O)c1C	808483196	FOYMOCFJENXBDL-UHFFFAOYSA-N	295.291	1.123	10	20	CDCD	
COc1cnc(C(=O)NCc2ccccc2O)nc1	815833438	NLEBYPJBCBIIPU-UHFFFAOYSA-N	259.265	1.121	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)c1cnn2c1OCCC2	815797006	XEPBZMVBOYQRQA-UHFFFAOYSA-N	287.319	1.643	10	20	CDCD	
CO[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C[C@@H]1C	836839011	XIWYPWVPWSXXEC-YZFRKGMMSA-N	291.347	1.994	10	20	CDCD	
Cc1cc(C)c(O)c(CN2CCO[C@@H]3COCC[C@@H]32)c1	902626570	GLNKPILIYAIXNZ-LSDHHAIUSA-N	277.364	1.999	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)Cc1n[nH]c(C)n1	830141252	PWTXMBQRKRITKL-UHFFFAOYSA-N	288.351	1.800	10	20	CDCD	
Nc1ccc(CC(=O)N2C[C@H]3CCC[C@]3(N)C2)cc1	1328918091	IFHZPPQVANNTJO-DOMZBBRYSA-N	259.353	1.151	10	20	CDCD	
CN1CC[C@H](C(=O)NCc2cc(Cl)ccc2O)CC1=O	846474113	ZHIQKMODGLZCTG-VIFPVBQESA-N	296.754	1.530	10	20	CDCD	
COC(=O)c1cnc(SC[C@@]2(O)CCCOC2)s1	849325359	GGFKTYGKBCUXFX-LLVKDONJSA-N	289.378	1.563	10	20	CDCD	
COC(=O)CC(C)(C)CC(=O)NCc1ccc(O)cc1O	910948984	CUXGAIOLTIMHQU-UHFFFAOYSA-N	295.335	1.693	10	20	CDCD	
CC(C)NC(=O)[C@H](C)NC(=O)/C=C/c1ccc(O)c(O)c1	840546179	DCYSNUSZGKFQHD-STUBTGCMSA-N	292.335	1.140	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN(C)[C@H](C)CS(C)(=O)=O	840914535	ARBSSVIFVGEIKG-CYBMUJFWSA-N	298.452	1.926	10	20	CDCD	
Nc1ccc(NC(=O)C(=O)N2CCCC3(CC3)C2)cc1	841089574	LHTWVNGSQRIKMT-UHFFFAOYSA-N	273.336	1.610	10	20	CDCD	
C[C@H]1C[C@H](NCc2ccc(N3CCOCC3)c(F)c2)CO1	842669790	CVOUONCAZFAWCH-JSGCOSHPSA-N	294.370	1.929	10	20	CDCD	
COc1cccc([C@@H](C)NC[C@@]2(O)CCSC2)c1O	846144512	HIZQNLPZXRXDHC-YGRLFVJLSA-N	283.393	1.919	10	20	CDCD	
CN(C[C@H](O)COC1CCOCC1)c1ccc(N)cc1	923400785	OHWPVGJTDCFJPK-AWEZNQCLSA-N	280.368	1.262	10	20	CDCD	
C[C@H](Cc1cccnc1)NC(=O)Cc1ccc(N)cc1	1343040358	KPPFLISFKRNJMD-GFCCVEGCSA-N	269.348	1.954	10	20	CDCD	
CN(C)c1ccc(CN2CC[C@H](C3OCCO3)C2)cc1	932000295	BXNCQBABISGBHL-AWEZNQCLSA-N	276.380	1.947	10	20	CDCD	
CCOc1ccc(CN2C[C@H](OC)[C@H](OC)C2)c(O)c1	754152921	AZMLXONGXHODHI-GASCZTMLSA-N	281.352	1.637	10	20	CDCD	
CN(C)c1ccc(CN2C(=O)N[C@H](CC3CC3)C2=O)cc1	760949266	LBOBMTOUHXYZJM-CQSZACIVSA-N	287.363	1.973	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)Nc2cnnn2C)c1	861062819	ZEXYTBXPPDMNEN-UHFFFAOYSA-N	261.285	1.151	10	20	CDCD	
C[C@H](NCCc1ccn(C)n1)c1cc([N+](=O)[O-])ccc1O	760895984	HDXYNLUKMRFHON-JTQLQIEISA-N	290.323	1.927	10	20	CDCD	
COc1ccc(CNCC[C@H](C)O)cc1Cn1cccn1	873050311	MTQVIYODLHTKDG-ZDUSSCGKSA-N	289.379	1.801	10	20	CDCD	
COc1ccc(CNCc2ncc[nH]2)cc1Cn1cccn1	877672770	MTKSQKCZLRSOKR-UHFFFAOYSA-N	297.362	1.953	10	20	CDCD	
COc1cccc(CNC(=O)CCc2nnc(C)o2)c1O	1119102300	WOKSXVQCQWXABM-UHFFFAOYSA-N	291.307	1.341	10	20	CDCD	
C[C@H]1CO[C@H](CO)CN1Cc1cc(Cl)cc(F)c1O	775742166	SGWWUXCLYQBAAY-KWQFWETISA-N	289.734	1.766	10	20	CDCD	
COCn1ncc(C)c1CNCc1ccccc1O	1117696865	RQMOKLKXIOHQAY-UHFFFAOYSA-N	261.325	1.791	10	20	CDCD	
Cc1ccc(CN[C@@H]2CCc3nnnn3CC2)c(O)c1	877596677	PXXYXOKUQDTPHE-GFCCVEGCSA-N	273.340	1.182	10	20	CDCD	
COc1ccc(N2CCN(Cc3cn[nH]c3)CC2)cc1F	770304892	CQOBPWRQTGIOSD-UHFFFAOYSA-N	290.342	1.880	10	20	CDCD	
Nc1ccc(-n2cc(CO[C@@H]3CCCCO3)nn2)cc1	887407751	QNRKRJAUSZXVEV-CQSZACIVSA-N	274.324	1.893	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CCc2c[nH]nc2C1	779533712	IBXIPFWFADGAHW-DUXPYHPUSA-N	285.303	1.419	10	20	CDCD	
Nc1ccc(NC(=O)C(=O)N(CC(F)F)C2CCC2)cc1	887048054	BHKBXLJRHCWHCR-UHFFFAOYSA-N	297.305	1.854	10	20	CDCD	
C[C@H](O)[C@H]1CCCN(C(=O)/C=C\c2ccc(O)c(O)c2)C1	779485335	JUIDOEFCODLLAC-YQCLLZEUSA-N	291.347	1.730	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)[C@H]1CCSC1	778916358	FPGIQFLPXQBUQW-VIFPVBQESA-N	253.323	1.467	10	20	CDCD	
C[C@H]1CCC(=O)CN1C(=O)/C=C\c1ccc(O)c(O)c1	885084817	QGQAXXQKYQDLIW-VAWSOJLPSA-N	275.304	1.691	10	20	CDCD	
Cc1ccc(C(=O)O[C@@H](C)C(=O)N(C)C(C)C)c(O)c1O	783346386	ZMTCFOUGXSWWKM-JTQLQIEISA-N	295.335	1.818	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N2C[C@@H]3C[C@H]3C2)cc1	887634417	QHMKVTJMXYERGO-STQMWFEESA-N	259.353	1.914	10	20	CDCD	
CO[C@H](C(=O)OCC(=O)c1ccc(O)c(O)c1)C(C)C	784784111	QVLKOKBOOOGDHA-ZDUSSCGKSA-N	282.292	1.495	10	20	CDCD	
C[C@@H](NC[C@@H](O)c1cnn(C)c1)c1c(O)cccc1F	886532228	GGTFUUROTHCGNJ-NOZJJQNGSA-N	279.315	1.649	10	20	CDCD	
CCS(=O)(=O)CCN[C@H](C)c1c(O)cccc1F	886522523	LGEBLHHPIYOASO-SECBINFHSA-N	275.345	1.617	10	20	CDCD	
C[C@H]1C[C@@H](O)CN1Cc1cc(Cl)cc([N+](=O)[O-])c1O	788268545	FKMDQIJEOLNIQT-OIBJUYFYSA-N	286.715	1.909	10	20	CDCD	
COC(=O)[C@@](C)(CO)NCc1cc(Cl)c(C)cc1O	894971574	DRWCRKMIMISLCG-CYBMUJFWSA-N	287.743	1.368	10	20	CDCD	
CO[C@H]1CCC[C@@H]1CNC(=O)c1ccc(C)c(O)c1O	781014430	QQYFZZBQLKNKDG-PWSUYJOCSA-N	279.336	1.951	10	20	CDCD	
CC(=O)CSCC(=O)NCc1ccc(N(C)C)cc1C	783591844	ZBWBPNAGSVJSAW-UHFFFAOYSA-N	294.420	1.999	10	20	CDCD	
O=S(=O)(C[C@H]1CCCCO1)NCc1ccccc1O	269675195	FCDKKJHCSNNGKQ-GFCCVEGCSA-N	285.365	1.381	10	20	CDCD	
COc1ccc(CNC(=O)CCc2cncn2C)c(O)c1	794377221	PFCABSNABSNGKH-UHFFFAOYSA-N	289.335	1.383	10	20	CDCD	
COC[C@H](CO)NCc1c(O)cccc1Br	706804022	AUEKMLDEBVDHAT-QMMMGPOBSA-N	290.157	1.252	10	20	CDCD	
CCN(CC)c1ccc(CNCc2ncn(C)n2)cc1	92852500	RCPPLRBBZXTEMC-UHFFFAOYSA-N	273.384	1.951	10	20	CDCD	
CN(C)c1ccc(CN2CCC(O)(C(=O)O)CC2)cc1	1610104693	BHPNXAZATWKHNG-UHFFFAOYSA-N	278.352	1.164	10	20	CDCD	
O=C(c1c(F)ccc(O)c1O)N1CC[C@H]2OCCC[C@H]2C1	1324411382	BMCLRFGXHBXGSR-JOYOIKCWSA-N	295.310	1.878	10	20	CDCD	
Oc1c(F)cc(F)cc1CN1CC[C@@H](n2cncn2)C1	1338264759	QLZNRQLALZSDJZ-LLVKDONJSA-N	280.278	1.709	10	20	CDCD	
Oc1cc2c(cc1CN1CCC[C@H](CF)C1)[C@H](O)CO2	1331021325	JOUYLQPDQUXARO-QMTHXVAHSA-N	281.327	2.000	10	20	CDCD	
COc1ccc(CN[C@H](C)C(=O)O)cc1Cn1cccn1	1330686311	ATAZCXHWJIUPLO-LLVKDONJSA-N	289.335	1.503	10	20	CDCD	
Nc1ccc(CNC(=O)N2CCC[C@H](CCO)C2)cc1	1357791734	OZOQBXILVMTPFE-CYBMUJFWSA-N	277.368	1.573	10	20	CDCD	
O=C(O)[C@H]1CC(F)(F)CN1C(=O)c1cc(O)cs1	1608818982	IHRHWLCFTMMAIF-ZCFIWIBFSA-N	277.248	1.388	10	20	CDCD	
O=C(O)CCCCOC(=O)/C=C\c1ccc(O)c(O)c1	1595047001	HKSYIOODYHCTDR-ALCCZGGFSA-N	280.276	1.909	10	20	CDCD	
Oc1cc2c(cc1CNC[C@@H]1CCC=CO1)OCO2	380031256	ZWUWHVFNBCHYLF-NSHDSACASA-N	263.293	1.903	10	20	CDCD	
COCCCNC(=O)NCc1ccc(N(C)C)c(F)c1	58482940	MKZGFCONMONFKE-UHFFFAOYSA-N	283.347	1.727	10	20	CDCD	
CN1CCN(c2ccc(CNC[C@H]3CCCO3)cc2)CC1	107797405	MIZQYLGVQBYIPD-QGZVFWFLSA-N	289.423	1.707	10	20	CDCD	
C[C@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)CCO1	25836549	FFUVZSYMXOJHDC-ZDUSSCGKSA-N	291.395	1.090	10	20	CDCD	
C[C@H]1CN(Cc2cc3c(cc2O)OCO3)C[C@@H](C)N1C	135260031	DRUOICIXSPKIQN-PHIMTYICSA-N	278.352	1.645	10	20	CDCD	
Cc1ccc(C)n1-c1ccc(C(=O)NC2(C(N)=O)CC2)cc1	119764764	XAGNVWUPPKTLOJ-UHFFFAOYSA-N	297.358	1.842	10	20	CDCD	
COCC[C@H](CO)NCc1cc(Cl)ccc1O	305976478	ZYCJBVDTAAZOJJ-LLVKDONJSA-N	259.733	1.533	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N[C@H](CO)c1ccccc1	181298702	WGSVDKVRTFJWTE-RCQQVGEISA-N	299.326	1.961	10	20	CDCD	
CCOc1ccc(O)c(CN2CC[C@H](CO)C2)c1	92764665	QXUOXLWZAQPPJY-NSHDSACASA-N	251.326	1.605	10	20	CDCD	
CCOC(=O)CCNC(=O)c1ccc(C)c(O)c1O	267563572	GYNZOEOIMYKUQX-UHFFFAOYSA-N	267.281	1.089	10	20	CDCD	
COC[C@@H](OC)C(=O)N1CCOc2cc(N(C)C)ccc21	611649500	JBPPIIHHTXFCDC-CQSZACIVSA-N	294.351	1.139	10	20	CDCD	
COC[C@@H](NC(=O)c1cccc(O)c1O)[C@@H]1CCCO1	279460516	MQDHWIRWFYENPF-PWSUYJOCSA-N	281.308	1.022	10	20	CDCD	
C[C@H]1C[C@H](NC(=O)NCc2ccccc2O)CCO1	271315696	XOUVVOWMJJYCRE-CMPLNLGQSA-N	264.325	1.759	10	20	CDCD	
Cc1ccc(C(=O)NCCC(C)(C)O)c(O)c1O	274833353	KDPMLTGBWVVXHZ-UHFFFAOYSA-N	253.298	1.297	10	20	CDCD	
C[C@H](CN)C(=O)N1CCOc2cc(N(C)C)ccc21	286128269	OTPFBFBKZMRYPQ-SNVBAGLBSA-N	263.341	1.073	10	20	CDCD	
CCN(C(=O)c1ccc(C)c(O)c1O)[C@@H](C)CO	294330251	UMULZMBSDWAIEF-VIFPVBQESA-N	253.298	1.249	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNCc2nonc2C)c1O	809743877	LCASSSMJGVCIKC-UHFFFAOYSA-N	294.267	1.290	10	20	CDCD	
COc1ccc(C(=O)OCC(=O)C(C)=O)c(OC)c1OC	808488811	QBRZDNAYGJPSSJ-UHFFFAOYSA-N	296.275	1.027	10	20	CDCD	
C[C@@H](NC[C@H](N)c1ccc(N(C)C)cc1)c1cnccn1	817938536	MRAQUXNDJLLKPD-DOMZBBRYSA-N	285.395	1.893	10	20	CDCD	
C[C@@H](NC[C@H](N)C1CC1)c1cc([N+](=O)[O-])ccc1O	817964498	AQHPGRNGWOUSDV-PELKAZGASA-N	265.313	1.688	10	20	CDCD	
Cn1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)n1	727369008	VKBMSTPGHBMMEN-UHFFFAOYSA-N	284.363	1.950	10	20	CDCD	
COc1cc(O)c(CNCCCC(=O)O)cc1OC	820774698	FXGUSLVDEIVWPN-UHFFFAOYSA-N	269.297	1.364	10	20	CDCD	
C[C@H](O)CCN(C)c1ccc(/C=C\C(=O)O)cc1[N+](=O)[O-]	827795901	FYQDNPGTFMRHHY-OAQKJQOQSA-N	294.307	1.900	10	20	CDCD	
CC1(C)CN[C@@H]1C(=O)NCc1c(O)ccc2c1CCCC2	830597408	HKLIMGBCHIBUIP-OAHLLOKOSA-N	288.391	1.885	10	20	CDCD	
COc1ccc(CNC(=O)N[C@@H](C)C[C@H](C)N)c(O)c1	831217624	DBPUELMGUXJEKO-UWVGGRQHSA-N	281.356	1.326	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H](C)N(C)C)c1	836620320	BMERDSVANYYODY-WDEREUQCSA-N	295.383	1.711	10	20	CDCD	
CCC[C@H](O)CNC(=O)NCCc1ccc(N)cc1	841954582	OGNSONWKIPTXFB-ZDUSSCGKSA-N	265.357	1.272	10	20	CDCD	
CN[C@@H](C)C(=O)N[C@@H](C)c1cc(OC)ccc1O	848427267	UXXMMOAUHWJCQP-IUCAKERBSA-N	252.314	1.186	10	20	CDCD	
C[C@@H](N)CN(Cc1ccccc1O)C[C@@H]1CCCO1	843356123	GEEJTWITIMSWMS-OCCSQVGLSA-N	264.369	1.720	10	20	CDCD	
COCCNC(=O)C1(N[C@H](C)c2ccccc2O)CC1	840822425	NAFMXCMKKZMTKW-LLVKDONJSA-N	278.352	1.338	10	20	CDCD	
CCCCN(CCO)C(=O)NCCc1ccc(N)cc1	841961754	HQZNKVSGMUAXQV-UHFFFAOYSA-N	279.384	1.615	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)C[C@H]1CCC(=O)N1	935947378	WJNZKHPUCJJECL-SNVBAGLBSA-N	297.351	1.163	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@@H](C)OC[C@H]2CCCO2)c1	862758869	OTJSRRNHXHUBSV-TZMCWYRMSA-N	293.363	1.901	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)Cn2nc(C)cc2C)c1	862760662	UHITZMHLCWPTJS-UHFFFAOYSA-N	273.336	1.830	10	20	CDCD	
CCOc1ccc(O)c(CN[C@H]2CCC[C@@H]2O)c1	865737024	ZGPUMEOMWJZPAR-JSGCOSHPSA-N	251.326	1.794	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)Cc2ccn(C)n2)c1	862755016	NEZVIKUIBGQERS-UHFFFAOYSA-N	259.309	1.293	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N[C@H]2C[C@H](C(=O)O)C2)cc1	874382283	ADBHDWANIYHMJR-HAQNSBGRSA-N	291.351	1.415	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)C1(O)CCC1	773021412	OTYOVMZRPFVCJM-UHFFFAOYSA-N	262.353	1.592	10	20	CDCD	
C[C@H](NC(=O)[C@H]1CN(C)CCO1)c1ccc(N(C)C)cc1	773020896	XWRGQWVWCGDWLA-SWLSCSKDSA-N	291.395	1.260	10	20	CDCD	
COC(OC)C(=O)NCc1ccc(N2CCCCC2)cc1	874240254	WDQHHWCPNRKVBT-UHFFFAOYSA-N	292.379	1.912	10	20	CDCD	
C[C@@H](OC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)N(C)C	772775680	NWMVZCSKWJAPSX-WILPJHFFSA-N	279.292	1.131	10	20	CDCD	
COc1cc(O)c(CNC[C@](C)(O)C2CC2)cc1OC	776173952	FDDRVLQRGTYNNY-HNNXBMFYSA-N	281.352	1.660	10	20	CDCD	
C[C@@H]1C[C@H](NC(=O)NCc2ccc(N)cc2)CCN1	1120630644	CCBLTFIQGNYQCG-ZWNOBZJWSA-N	262.357	1.209	10	20	CDCD	
CN(C)c1ccc(CN[C@@H](CO)C2CCOCC2)cc1	782388021	DOASGRIZZQONLW-INIZCTEOSA-N	278.396	1.630	10	20	CDCD	
Cc1ccc2nc(C=C3C(=O)N(C)C(=O)N(C)C3=O)cn2c1	789127078	JQNNSJBTOVCBKN-UHFFFAOYSA-N	298.302	1.077	10	20	CDCD	
COc1cc(C)cc(CN2CC[S@@](=O)C[C@H](C)C2)c1O	894565847	HHIDJBNOJJJGBY-MPBGBICISA-N	297.420	1.910	10	20	CDCD	
COCCCC(=O)OCC(=O)c1ccc(O)c(O)c1	783028048	JRANWSVXLBLYQT-UHFFFAOYSA-N	268.265	1.250	10	20	CDCD	
COc1cc(C)cc(CN[C@@H](C)c2ncn(C)n2)c1O	894530900	PKIZLQJMWSYVRE-JTQLQIEISA-N	276.340	1.689	10	20	CDCD	
COc1cc(C)cc(CN2C[C@@H]3CCCN[C@@H]3C2)c1O	894032974	VQVYYDLMDSZBSS-GXTWGEPZSA-N	276.380	1.893	10	20	CDCD	
COc1cc(C)cc(CN2CCNC(=O)C2(C)C)c1O	894002733	VDJUCAGHCVEVOI-UHFFFAOYSA-N	278.352	1.420	10	20	CDCD	
O=C(O)c1cn(CCSc2nccs2)nn1	40676338	PTTQLPOAYJVECP-UHFFFAOYSA-N	256.312	1.225	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)CCc2cnc[nH]2)c1	793688417	GIFQTODAIGIJAY-SNVBAGLBSA-N	289.335	1.934	10	20	CDCD	
COc1cccc(CN2CC[C@](OC)(C(=O)O)C2)c1O	703741917	LKXRSFCTAFBEMR-CQSZACIVSA-N	281.308	1.076	10	20	CDCD	
COc1cccc(O)c1CNC[C@H]1CCCN(C(C)=O)C1	793286095	OORNQOSNCHBHIN-CYBMUJFWSA-N	292.379	1.749	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1csc(O)n1	792306962	LJKCJRSGLVNWQV-ZETCQYMHSA-N	294.332	1.621	10	20	CDCD	
COc1ccc(CNC(=O)c2ccc(O)cc2O)c(O)c1	794387779	MCTZLTVGPAGCNQ-UHFFFAOYSA-N	289.287	1.742	10	20	CDCD	
CC1(C)C[C@H]1CNC(=O)C(=O)NCCc1ccc(N)cc1	1326151198	HOFSWNBTYIFYJZ-LBPRGKRZSA-N	289.379	1.090	10	20	CDCD	
CN1CC[C@@](O)(CNCc2ccc(N3CCCC3)cc2)C1	1320217324	DMBRVZXUWARSMB-QGZVFWFLSA-N	289.423	1.443	10	20	CDCD	
CN(C[C@@H]1CCCOC1)C(=O)Cc1ccc(N)cc1	107064208	YXUZNAQZEDPXTJ-ZDUSSCGKSA-N	262.353	1.696	10	20	CDCD	
CN(C)c1ccc(CNC(=O)C(=O)N[C@H]2C=CCC2)cc1	1350638647	GNOUTWJRPMTVLH-ZDUSSCGKSA-N	287.363	1.204	10	20	CDCD	
O=C(O)[C@@]12CCOC[C@@H]1CN(Cc1cc(F)ccc1O)C2	1602207858	VETZFQYXOHCWRC-XHDPSFHLSA-N	295.310	1.454	10	20	CDCD	
CCOc1ccc(CN(CC)CC(=O)O)c(O)c1	1610043730	KHLRTUDKOMXQFJ-UHFFFAOYSA-N	253.298	1.697	10	20	CDCD	
O=C(NCc1ccccc1O)N[C@@H]1CC[C@H]2CCN[C@H]1C2	1580721586	KPLUFUKSWXAOFE-YUTCNCBUSA-N	289.379	1.722	10	20	CDCD	
COCCC[C@@H](NCc1ccc(OC)c(C)c1)C(=O)O	1777203390	LQNKYAUZGSAWTE-CYBMUJFWSA-N	281.352	1.973	10	20	CDCD	
CN(C)c1ccc(CN[C@@H](C(=O)O)[C@H]2CCOC2)cc1	1777039716	WKJIXSYSAXSPQW-GXTWGEPZSA-N	278.352	1.332	10	20	CDCD	
CCc1cccc(CN[C@@H]2CCN(CCOC)C2)c1O	848896722	HUWTVMXEUOHECC-OAHLLOKOSA-N	278.396	1.765	10	20	CDCD	
CCOC(=O)C1=NN(c2ccc(F)cc2F)C(=O)[C@@H]1C	871940939	RHBNRFGHHFTDTD-SSDOTTSWSA-N	282.246	1.867	10	20	CDCD	
C[C@H](NC[C@H]1CCS(=O)(=O)C1)c1ccc(N(C)C)cc1	38083400	ILYMOGJWYUVPTK-QWHCGFSZSA-N	296.436	1.838	10	20	CDCD	
C[S@@](=O)C1(CN[C@@H]2CCc3cccc(O)c32)CC1	296573555	VHCWIHLQSHVPQJ-ADLMAVQZSA-N	265.378	1.880	10	20	CDCD	
C[C@@H]1[C@@H](C(=O)O)CCN1Cc1cc(F)cc(F)c1O	708215120	HRKXHJDAPRLRKR-XCBNKYQSSA-N	271.263	1.965	10	20	CDCD	
COc1cccc(CNC(=O)c2cc(C3CC3)[nH]n2)c1O	68489163	OGIFYYKGCNPIDR-UHFFFAOYSA-N	287.319	1.931	10	20	CDCD	
CN(C)c1ccc(CNC(=O)Cc2ccn[nH]2)cc1	120757265	VDSCDMWGJDIAPM-UHFFFAOYSA-N	258.325	1.335	10	20	CDCD	
CCCN(Cc1ccccc1O)[C@@H]1CCS(=O)(=O)C1	157059197	QDBOHDACQMQRDL-CYBMUJFWSA-N	283.393	1.791	10	20	CDCD	
CCn1nccc1C(=O)N(C)Cc1ccccc1O	131733352	DOBHQENDXCRZDE-UHFFFAOYSA-N	259.309	1.881	10	20	CDCD	
Cc1cccc(CN(C)CC2(O)CCOCC2)c1O	188845463	QCSADYQCORFANF-UHFFFAOYSA-N	265.353	1.674	10	20	CDCD	
CCNC(=O)CN(C)c1ccc(OC)c(Cl)c1	131447396	URDHFAUSPDWYFQ-UHFFFAOYSA-N	256.733	1.921	10	20	CDCD	
O=S(=O)(Nc1ccc(O)c(Cl)c1)c1cnc[nH]1	85204596	XZICURRWJPYCMI-UHFFFAOYSA-N	273.701	1.570	10	20	CDCD	
CCCN(CCC)c1ccc(CN2C[C@H](O)[C@H](O)C2)cc1	93483852	UKMBZVLJMAZFLL-CALCHBBNSA-N	292.423	1.850	10	20	CDCD	
CCCNC(=O)CN[C@@H](C)c1cc(F)ccc1O	94617115	KUQHDSIDGYZWQH-VIFPVBQESA-N	254.305	1.708	10	20	CDCD	
COc1ccc(O)c(CN2CCS(=O)(=O)[C@@H](C)[C@H]2C)c1	180350884	VITCLJGCCWMKCI-MNOVXSKESA-N	299.392	1.408	10	20	CDCD	
CN(C)S(=O)(=O)CCNCc1cc(Cl)ccc1O	230989759	FLTXACSJCXXBME-UHFFFAOYSA-N	292.788	1.027	10	20	CDCD	
C[C@@H]1CN(C(=O)c2c(F)ccc(O)c2O)C[C@@H]1C	276639186	XKVOAHVDLONCQR-OCAPTIKFSA-N	253.273	1.965	10	20	CDCD	
CCn1cc(CNC(=O)c2ccc(C)c(O)c2O)cn1	272802966	YUJKUIKHCQXYMG-UHFFFAOYSA-N	275.308	1.553	10	20	CDCD	
Cc1nc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c[nH]1	274230884	RYVPARXGUFHCCX-MRVPVSSYSA-N	275.308	1.490	10	20	CDCD	
CCCOc1ccc(CN2CCO[C@H](CO)C2)c(O)c1	271193047	QMEJNKVGJIWAJR-AWEZNQCLSA-N	281.352	1.374	10	20	CDCD	
Cc1ccc(O)c(CN2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)c1	373739384	XFYHGNGIIRHNGN-NJZAAPMLSA-N	274.364	1.786	10	20	CDCD	
Cc1c[nH]nc1CNCc1ccc(N2CCOCC2)cc1	289783549	HGRAGGBDYKFTNM-UHFFFAOYSA-N	286.379	1.845	10	20	CDCD	
Cc1cccc(CNCCN2CCN(C)C(C)(C)C2)c1O	282445687	USUKFIKFEJOAPM-UHFFFAOYSA-N	291.439	1.816	10	20	CDCD	
Oc1cccc2c1[C@H](NC[C@H]1CN3CCC[C@@H]3CO1)CC2	386753990	FAAGUCOJEFLZBH-QLFBSQMISA-N	288.391	1.832	10	20	CDCD	
CCOC(=O)COCCOC(=O)c1ccc(C)c(O)c1O	805432896	GFSLFLMWXCTRKS-UHFFFAOYSA-N	298.291	1.143	10	20	CDCD	
CO[C@H](C)CS(=O)(=O)Nc1ccc(O)cc1C(C)=O	800839325	DNHCSYAEVIQUKP-MRVPVSSYSA-N	287.337	1.371	10	20	CDCD	
CN(Cc1ccccc1O)c1nnc([C@H]2CCOC2)n1C	809870440	LAWIAHBXMPFUMW-LBPRGKRZSA-N	288.351	1.661	10	20	CDCD	
COC[C@H](C)[C@@H](C)C(=O)NCCc1ccc(O)c(O)c1	812536366	ZHRODDWLUBYGGA-WDEREUQCSA-N	281.352	1.675	10	20	CDCD	
COC[C@H](C)OC[C@@H](O)CNCc1ccc2c(c1)CCO2	818997174	UANZQBZAUQBLKO-WFASDCNBSA-N	295.379	1.124	10	20	CDCD	
O=C(NCc1ccccc1O)[C@@]1(c2ccccc2)CCNC1	817996858	NKWJMLQDGSDBFI-SFHVURJKSA-N	296.370	1.940	10	20	CDCD	
C[C@@H](CNCc1ccc(N2CCN(C)CC2)cc1)N(C)C	824988170	HWBKOXHTBZRCKW-HNNXBMFYSA-N	290.455	1.478	10	20	CDCD	
CCOc1ccc(CN[C@@H]2CC(=O)N(CC)C2)c(O)c1	824887365	VDROGZVMNZFZSF-GFCCVEGCSA-N	278.352	1.501	10	20	CDCD	
Oc1ccccc1CNc1ccc(-c2nn[nH]n2)nc1	826511279	JFHVIVXHJVRISM-UHFFFAOYSA-N	268.280	1.579	10	20	CDCD	
CN1CCN(C(=O)/C=C\c2cnn(C)c2)c2ccccc2C1	728833264	AIPDHHRAASPYBA-FPLPWBNLSA-N	296.374	1.912	10	20	CDCD	
COc1cccc(O)c1CN(CC(F)F)C[C@@H](C)O	825099467	ZYGZADUPVJMWTJ-SECBINFHSA-N	275.295	1.849	10	20	CDCD	
Oc1cc2c(cc1CN1C[C@H]3[C@H]4C=C[C@@H](O4)[C@H]3C1)OCO2	824837191	FOXKYIUGVPOQFK-ZMJPVWNMSA-N	287.315	1.506	10	20	CDCD	
CCOc1ccc(CN[C@@H]2COC[C@H]2OCC)c(O)c1	825196597	JVZPYOBMTRQPRG-UKRRQHHQSA-N	281.352	1.684	10	20	CDCD	
O=C(O)[C@H]1C[C@H](NCc2ccc3c(c2)CCCO3)C1	900041151	KHRQEQFUFTXBGV-JOCQHMNTSA-N	261.321	1.964	10	20	CDCD	
Cc1cccc(CN2CC[C@@H](N3CCOC3=O)C2)c1O	826999845	CGUCFLZQXVEAQH-CYBMUJFWSA-N	276.336	1.727	10	20	CDCD	
O=[N+]([O-])CCNCc1ccc(N2CCC(CO)CC2)cc1	905340911	JSIILLFIWMEJPG-UHFFFAOYSA-N	293.367	1.262	10	20	CDCD	
CC(C)N1CC[C@H](NC(=O)c2cc(O)cs2)C1=O	734176684	HGGJZDJTUDBFPH-VIFPVBQESA-N	268.338	1.193	10	20	CDCD	
COc1ccc(O)c(CN2CC[C@H](OC)C[C@@H]2C(=O)O)c1	833733382	GFJKKLNJEMRPRN-QWHCGFSZSA-N	295.335	1.465	10	20	CDCD	
CCC[C@@H](OC)C(=O)NCc1ccc(O)cc1O	910944979	RCFWVERRHBKGIX-GFCCVEGCSA-N	253.298	1.529	10	20	CDCD	
Oc1ccc(-c2csc([C@H]3COCCN3)n2)cc1O	843289788	AIHGNIWRFWQMER-SECBINFHSA-N	278.333	1.882	10	20	CDCD	
COCCN(C[C@@H](C)N)c1ccc(OC)c(OC)c1	843359032	DPGOYFSDIVPWCF-LLVKDONJSA-N	268.357	1.504	10	20	CDCD	
CCN(CC)c1ccc(CN(C)C(=O)c2cnn[nH]2)cc1	918281461	RCRKWXZOTZFOJV-UHFFFAOYSA-N	287.367	1.923	10	20	CDCD	
COc1ccc(N2CC[C@@H](N[C@H]3CCCNC3)C2)cc1	849349528	CCJCSCGVXLPBOG-UONOGXRCSA-N	275.396	1.616	10	20	CDCD	
CN(C)[C@@]1(CNC(=O)c2cc(O)cs2)CCSC1	748432615	BIZMWAKZMOURIS-GFCCVEGCSA-N	286.422	1.621	10	20	CDCD	
COCCN(C)CCCNC(=O)Nc1ccc(N)cc1	841301608	AMAITMWUCUYVGJ-UHFFFAOYSA-N	280.372	1.359	10	20	CDCD	
COc1cccc([C@H](C)NC[C@]2(O)CCO[C@@H]2C)c1O	846166617	BCLFWEPJFYLYQZ-FIXISWKDSA-N	281.352	1.591	10	20	CDCD	
CN(C)c1ccc([C@@H](N)CNC(=O)C=C2CCC2)cc1	843296866	CJZVGZFGBZKDNQ-HNNXBMFYSA-N	273.380	1.979	10	20	CDCD	
OC[C@@H](NCc1ccc2c(c1)CCCO2)C1CCOCC1	921981809	AGBQBSBERQLKFS-MRXNPFEDSA-N	291.391	1.889	10	20	CDCD	
CCn1cc(CNCc2ccc(N(C)C)c(F)c2)nn1	850366396	XUUDTVRSXCQIIA-UHFFFAOYSA-N	277.347	1.793	10	20	CDCD	
Cc1cc(O)c(CN2CCN([C@@H]3CCOC3)CC2)cc1C	853550838	MPWAVSPGDFRBLD-MRXNPFEDSA-N	290.407	1.916	10	20	CDCD	
COc1ccc(O)c(CNC(=O)NCCC[C@@H](C)CO)c1	759439883	WDNIQAYEBKJKLZ-LLVKDONJSA-N	296.367	1.609	10	20	CDCD	
c1cc2c(cc1CNCc1nnnn1C1CC1)CCCO2	921798551	XTPZMZTYLXFCIT-UHFFFAOYSA-N	285.351	1.623	10	20	CDCD	
COC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1cc(O)cs1	854761718	QNIVWNZNKLVHAA-BDAKNGLRSA-N	269.322	1.525	10	20	CDCD	
Oc1ccc(Cl)cc1CNCCN1CC[C@@H](O)C1	858298721	VMBFOOREAIRYIJ-GFCCVEGCSA-N	270.760	1.202	10	20	CDCD	
COc1ccc(CNC[C@H]2CCN(C(C)=O)C2)cc1C	1026629864	DRGIZDSUWBZMFA-OAHLLOKOSA-N	276.380	1.962	10	20	CDCD	
COc1ccc(CNCc2nc(O)cc(CN)n2)cc1C	863648812	KCDUGHKLKCIMGU-UHFFFAOYSA-N	288.351	1.248	10	20	CDCD	
COC(=O)CN(C)Cc1ccc(N2CCOCC2)c(F)c1	768401616	TUIFSQAOYCKEBH-UHFFFAOYSA-N	296.342	1.267	10	20	CDCD	
C[C@@H](NC(=O)NCC[S@](C)=O)c1ccccc1O	868265479	IFSPEUGMYRRPKR-LZVRBXCZSA-N	270.354	1.131	10	20	CDCD	
Cc1ccc(C(=O)NCCC2CC(O)C2)c(O)c1O	762719309	VKDBQNDJMFNAJG-UHFFFAOYSA-N	265.309	1.297	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N(CCO)CC1CC1	779537114	PQLNBINELXVYFX-XQRVVYSFSA-N	277.320	1.342	10	20	CDCD	
CNC(=O)[C@@H]1CCCN(Cc2ccc(C)cc2O)C1	876728588	QHFJESZQUBVKJP-CYBMUJFWSA-N	262.353	1.659	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC[C@@H](O)CN2CCCC2)c1	775368805	GHTPJORSRMOWBH-QWHCGFSZSA-N	294.395	1.508	10	20	CDCD	
C[C@@H](NC(=O)CNC(=O)C1CC1)c1ccc(N(C)C)cc1	773008225	LCYNHBPEDGGPRF-LLVKDONJSA-N	289.379	1.456	10	20	CDCD	
CCOc1cnc(C(=O)NCc2ccc(O)c(O)c2)cn1	779000360	BUXJKUANFHVUSK-UHFFFAOYSA-N	289.291	1.217	10	20	CDCD	
O=C1C[C@@H](NCCCSc2nccs2)CCCN1	877061507	JNBVSNYYUHARNG-JTQLQIEISA-N	285.438	1.884	10	20	CDCD	
COCc1noc(COC(=O)c2ccc(C)c(O)c2O)n1	777075585	LMLLHOKBBDKWDS-UHFFFAOYSA-N	294.263	1.293	10	20	CDCD	
COc1ccc(CNC(=O)c2cn(C)nc2OC)c(O)c1	883968571	DVSIVBHRIGGIED-UHFFFAOYSA-N	291.307	1.073	10	20	CDCD	
CNC(=O)C1(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CC1	773019333	KSEMMSUPMJNJCR-LLVKDONJSA-N	289.379	1.456	10	20	CDCD	
C[C@H](NC[C@@]1(O)CCN(C)C1)c1c(O)cccc1F	886590145	ORHSYBPKBMYDCJ-HZMBPMFUSA-N	268.332	1.249	10	20	CDCD	
CC[C@@H](C(=O)N[C@H](C)c1ccccc1O)[C@@H](C)O	881440444	BRUVHFUVGNXALE-GMTAPVOTSA-N	251.326	1.976	10	20	CDCD	
COc1cccc(CN2CC[C@](C)(C(=O)O)C2)c1O	86779397	XGYHEZVKXVLHAZ-AWEZNQCLSA-N	265.309	1.697	10	20	CDCD	
CCC[C@H](O)CC(=O)NCc1ccc(OC)cc1O	794374650	XHMFKZACUTUTQD-NSHDSACASA-N	267.325	1.568	10	20	CDCD	
CON(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	899104198	QRZGKXYQRLYOET-AWEZNQCLSA-N	294.399	1.558	10	20	CDCD	
COC(=O)[C@](C)(CO)NCc1cc(Cl)cc(F)c1O	894974686	FXGQBNLZVICBRH-LBPRGKRZSA-N	291.706	1.198	10	20	CDCD	
O=C(N[C@H](CO)CC1CCC1)c1cc(O)cs1	795766928	BAVGSJVKXOWNKI-VIFPVBQESA-N	255.339	1.735	10	20	CDCD	
COc1ccc(CNC(=O)N=c2cc[nH]cc2F)c(O)c1	797639243	NUOVHSQURRULKY-UHFFFAOYSA-N	291.282	1.679	10	20	CDCD	
COc1ccc(CNc2ncc([N+](=O)[O-])c(N)n2)c(O)c1	795284094	HYZBXLVWMXZLHA-UHFFFAOYSA-N	291.267	1.293	10	20	CDCD	
c1cn2c(n1)C[C@@H](NCc1ccc3c(c1)CCO3)CC2	778186977	BKHWFBIGWJZYSW-AWEZNQCLSA-N	269.348	1.923	10	20	CDCD	
CCOCc1cc(CN[C@H](CCO)C(=O)O)ccc1OC	1332033349	XUGCXDVQMOSBQW-CYBMUJFWSA-N	297.351	1.157	10	20	CDCD	
CCn1ncnc1N1CCN(c2ccc(OC)cc2)CC1	1337760797	WYPDNMRZWYGIDR-UHFFFAOYSA-N	287.367	1.633	10	20	CDCD	
CCOC[C@H](NCc1cc(F)cc(F)c1O)C(=O)O	1332010350	CAKIOYYHDUPOCL-JTQLQIEISA-N	275.251	1.250	10	20	CDCD	
CCOC(=O)[C@@H](NCc1ccc(N)cc1)[C@H]1CCCOC1	1345159186	CXNPYMRTTGPWJR-ZFWWWQNUSA-N	292.379	1.717	10	20	CDCD	
CN(C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2Cc1ccc(N)cc1	1345159339	GLVHDQFPPRSGFF-ZACQAIPSSA-N	289.423	1.952	10	20	CDCD	
CN(C(=O)c1c2c(nn1C)CCC2)c1ccc(N)cc1	1357943981	GAOKHYKROFIIQP-UHFFFAOYSA-N	270.336	1.768	10	20	CDCD	
CC(C)[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C(=O)O	1603966324	SCFDNURUZSBJBX-SNVBAGLBSA-N	292.295	1.688	10	20	CDCD	
COc1cccc(CN=c2cc[nH]c(-c3nn[nH]n3)c2)c1O	1591639551	OAGWHGFXQRCDLF-UHFFFAOYSA-N	298.306	1.010	10	20	CDCD	
C[C@H](OC[C@H]1CCCO1)C(=O)Nc1ccc(N)cc1	19278128	OQWSANZPYKPZGK-GXFFZTMASA-N	264.325	1.791	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2ccc(C#N)[nH]2)cc1	151958361	YIHKIDCHLZZNGU-UHFFFAOYSA-N	268.320	1.882	10	20	CDCD	
C[C@@H](Cc1cnn(C)c1)NCc1cc(F)ccc1O	825045872	NHZHDROYLUXZDD-JTQLQIEISA-N	263.316	1.986	10	20	CDCD	
C[C@]1(C2CC2)COCCN1C(=O)Cc1ccc(N)cc1	1122400220	KRHUYXFZSWLKPC-MRXNPFEDSA-N	274.364	1.839	10	20	CDCD	
CCN(Cc1c(C)cccc1O)[C@H](C)CS(C)(=O)=O	876735830	ILHYJWRVEMINOE-GFCCVEGCSA-N	285.409	1.956	10	20	CDCD	
Cc1ccc(CN2CC[C@H](CS(C)(=O)=O)C2)c(O)c1	877547349	UWNFHDVRKAIPGE-LBPRGKRZSA-N	283.393	1.567	10	20	CDCD	
Cc1ccc(CN2CC[C@H](OC(=O)N(C)C)C2)c(O)c1	877558633	KUECAFSFJORMSQ-ZDUSSCGKSA-N	278.352	1.973	10	20	CDCD	
COC[C@@H](O)CCN[C@H](C)c1cc(OC)ccc1O	186202659	XCCADAVDHANGON-MNOVXSKESA-N	269.341	1.449	10	20	CDCD	
CCN(C)C(=O)CNCc1cc(Cl)cc(OC)c1O	187676480	UFFWZSDYCPHYJM-UHFFFAOYSA-N	286.759	1.622	10	20	CDCD	
CC(=O)NCCN(C)Cc1c(O)cccc1Cl	308309815	QPHNGHUCRQBPLP-UHFFFAOYSA-N	256.733	1.614	10	20	CDCD	
CNCCc1ccccc1C(=O)N(C)c1cnn(C)c1	515063545	WKLSTXGLTURDNH-UHFFFAOYSA-N	272.352	1.459	10	20	CDCD	
CCOc1cccc(CN2CCN[C@H](C)[C@H]2C)c1O	379444583	VVMCGSFGAZULPT-VXGBXAGGSA-N	264.369	1.973	10	20	CDCD	
CC(C)(CCO)NCc1cc2c(cc1O)OCO2	135225871	LYKOCOXKACTOJC-UHFFFAOYSA-N	253.298	1.372	10	20	CDCD	
COc1cccc(CNc2cc(C)nc3ncnn23)c1O	66812718	UVVFIUWZMKOYCN-UHFFFAOYSA-N	285.307	1.759	10	20	CDCD	
Cc1ccc(C(=O)N2CCC[C@H](CC(N)=O)C2)c(O)c1O	182546943	PCPYDYJKEAZBPD-SNVBAGLBSA-N	292.335	1.134	10	20	CDCD	
CN(CC[C@@H]1CCOC1=O)c1ccc2c(c1)OCO2	121348319	IOIBLSRUOBOIGP-SNVBAGLBSA-N	263.293	1.805	10	20	CDCD	
O=C(CSc1nccs1)NC[C@H]1CCCO1	47268000	FIKTWGZKSXYBDF-MRVPVSSYSA-N	258.368	1.530	10	20	CDCD	
CCOCCO[C@H](C)C(=O)NCCc1ccc(N)cc1	236936838	DUVKDIGDMATBSU-GFCCVEGCSA-N	280.368	1.369	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NCCc1ccccn1	146449852	LGCAGHAMGRRIOY-FNORWQNLSA-N	284.315	1.865	10	20	CDCD	
O=C(NCCCO[C@H]1CCOC1)NCc1ccccc1O	268148215	WFZAZRQJGYYHBP-ZDUSSCGKSA-N	294.351	1.387	10	20	CDCD	
C[C@@H](NCC1(O)CCN(C)CC1)c1ccc(N(C)C)cc1	269081581	ZQFRSMVDCINLPH-CQSZACIVSA-N	291.439	1.860	10	20	CDCD	
COCC[C@](C)(O)CNCc1cc(OC)c(OC)cc1O	271828032	OHOUSUNVVNVJRG-HNNXBMFYSA-N	299.367	1.287	10	20	CDCD	
C[C@H]1CN(Cc2cc3c(cc2O)OCO3)CC[S@@](=O)C1	277564704	SDCZFIWAYYYFSV-WVDJIFEKSA-N	297.376	1.321	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H]2C=C[C@H](CO)C2)c1O	278474526	IIBMNJNIYGLBAP-GXSJLCMTSA-N	294.307	1.336	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2CCC[C@@H](CO)C2)c1O	278138162	ALIDSDHNMOGMLC-SNVBAGLBSA-N	296.323	1.513	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H]2C[C@H](O)C2(C)C)c1O	278388516	MQKJSYQOIZZDNU-MNOVXSKESA-N	296.323	1.558	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2[C@@H](CO)CC[C@@H]2CO)c1O	287238774	GIDJNIHBCAEJIP-CHWSQXEVSA-N	297.326	1.052	10	20	CDCD	
CN(C(=O)c1c(F)ccc(O)c1O)[C@@H]1CCC[C@H]1O	295380385	TYBXIUWKOVYQFW-RKDXNWHRSA-N	269.272	1.222	10	20	CDCD	
CCOC1CC(C(=O)OCC(=O)c2ccc(O)c(O)c2)C1	805642410	QMUPRTDPTSLDKF-UHFFFAOYSA-N	294.303	1.639	10	20	CDCD	
O=C(COC(=O)c1cccc(O)n1)c1ccc(O)c(O)c1	814472827	RZBYPCJFEJEYFR-UHFFFAOYSA-N	289.243	1.238	10	20	CDCD	
COc1ccc(N2CC[C@H](CNC(=O)C(F)F)C2)cc1	819578410	KLIXOTANRGFPFK-SNVBAGLBSA-N	284.306	1.903	10	20	CDCD	
Cn1nncc1/C=C1/C(=O)N2CCCc3cccc1c32	817345623	LCRKTNSGZIQTJA-MDWZMJQESA-N	266.304	1.649	10	20	CDCD	
NC(=O)C[C@@H]1CCN(Cc2cc(Cl)c(F)cc2O)C1	816613257	OCUGCIZCVWGZDH-QMMMGPOBSA-N	286.734	1.882	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2coc(CN)c2)c1	828666808	IXBZYERGUPWATG-SECBINFHSA-N	290.319	1.944	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H]1CCC[C@H]1O	588408361	UXJUASHFQFHABA-BHQLTRLXSA-N	263.293	1.141	10	20	CDCD	
Cc1nc(C(=O)NCc2ccc(N3CC=CC3)cc2)n(C)n1	836196472	IFPJSSJNPJPZIM-UHFFFAOYSA-N	297.362	1.430	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1cnsn1	734406378	UVHGCGMKJNXQRU-UHFFFAOYSA-N	276.365	1.843	10	20	CDCD	
O=C1C[C@@H]2CC[C@H](C1)N2Cc1cc2c(cc1O)OCO2	839131475	LISQIMRRIIRFCG-PHIMTYICSA-N	275.304	1.817	10	20	CDCD	
O=C(O)Cc1csc(NC(=O)c2cc(O)cs2)n1	738634041	NYCFUBKGMTZFNE-UHFFFAOYSA-N	284.318	1.790	10	20	CDCD	
Cn1cc(NC(=O)c2cc(O)cs2)cc1C(=O)O	833052136	NIFFWQMPDKROQQ-UHFFFAOYSA-N	266.278	1.743	10	20	CDCD	
CC(C)C(=O)NCCN(C)C(=O)Cc1ccc(N)cc1	831497013	VXWSLPNUQWRHRG-UHFFFAOYSA-N	277.368	1.042	10	20	CDCD	
CCC1(CNC(=O)NCc2ccc(OC)cc2O)COC1	836634044	LMVKXMSQYVESMA-UHFFFAOYSA-N	294.351	1.627	10	20	CDCD	
COc1cccc(O)c1CN(C)C1CCNCC1	843046649	XZOZWVMBLAQARJ-UHFFFAOYSA-N	250.342	1.585	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN[C@H](C)C[S@](C)=O	840938762	GSLKAGLXTZSSIP-XIKOKIGWSA-N	268.426	1.918	10	20	CDCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N(C)CCO	840482161	UGQFFSNYPQAFPG-CYBMUJFWSA-N	293.411	1.626	10	20	CDCD	
C[C@H](N[C@@H]1CC(=O)N(C)C1)c1ccc(Cl)cc1O	841746212	DCPXFLGVGNIXQX-WCBMZHEXSA-N	268.744	1.927	10	20	CDCD	
CO[C@H](CNC(=O)C(=O)Nc1ccc(N)cc1)C(C)(C)C	841057950	SXLDHJCIUDSLIE-GFCCVEGCSA-N	293.367	1.385	10	20	CDCD	
CC(C)CC(=O)NCCC(=O)NCc1ccccc1O	743326973	JIQBGYGDDOYLOS-UHFFFAOYSA-N	278.352	1.561	10	20	CDCD	
CCN(CC)c1ccc(CN(C)C[C@H](O)CN)cc1	841091964	IGBDNPVXZFPIIJ-OAHLLOKOSA-N	265.401	1.284	10	20	CDCD	
CCc1nnc([C@@H](C)OC(=O)c2cccc(O)c2O)o1	758558203	FMHGNERNTSHHPX-SSDOTTSWSA-N	278.264	1.961	10	20	CDCD	
CCOCCCNC(=O)NCc1cc(C)ccc1O	858102987	JRUHWGQRGVLYTO-UHFFFAOYSA-N	266.341	1.926	10	20	CDCD	
C[C@H](NCCO[C@H]1CCOC1)c1c(O)cccc1F	927076820	BBTKYUSPZDLPJH-QWRGUYRKSA-N	269.316	1.987	10	20	CDCD	
Cc1cc(O)c(CN[C@@H]2CCOC[C@H]2O)cc1C	858299877	BMCNSOAXASMUNT-TZMCWYRMSA-N	251.326	1.248	10	20	CDCD	
c1cc(N2CCCC2)ccc1CN[C@H]1CNCCOC1	925545094	XCLMXCRZWWRLIL-HNNXBMFYSA-N	275.396	1.365	10	20	CDCD	
COc1ccc(N(C)Cc2nc(=O)n(C)[nH]2)cc1Cl	754062373	QYXKFWHOKRESFV-UHFFFAOYSA-N	282.731	1.407	10	20	CDCD	
C[C@@H]1C[C@@H](NCC2(CO)COC2)c2c(O)ccc(F)c21	756759871	NCGIJUCAVGRDFD-MWLCHTKSSA-N	281.327	1.678	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)C[C@@](C)(O)C2CC2)c1	862758066	NNCBFACHHCPSIY-OAHLLOKOSA-N	263.337	1.868	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@H](C)CN2CCOCC2)c1	862757834	FXGDNXYDMHFMDO-CYBMUJFWSA-N	292.379	1.285	10	20	CDCD	
Cc1cc(CC(=O)NCc2ccc(O)c(O)c2)no1	768917339	KRZXYROUBAZTIK-UHFFFAOYSA-N	262.265	1.253	10	20	CDCD	
COC(=O)C[C@@]1(NCc2ccc(N(C)C)cc2)CCOC1	766465594	ALGXEFAFLKWYFW-INIZCTEOSA-N	292.379	1.564	10	20	CDCD	
COCC[C@@H](C)S(=O)(=O)NCc1ccccc1O	766500329	DSOMBFAVLCMPPO-SNVBAGLBSA-N	273.354	1.237	10	20	CDCD	
Cc1cnn(CC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1	773768733	ZZBAGWGBXZUOSO-NSHDSACASA-N	289.335	1.350	10	20	CDCD	
CCN1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C[C@H]1C	779542254	OBMMSNUZEMBFBU-HOSRBBHYSA-N	290.363	1.664	10	20	CDCD	
CNC(=O)[C@@H]1CCC[C@H]1NCc1cc(F)ccc1O	779102182	RQKRFKATZFIHJE-VXGBXAGGSA-N	266.316	1.536	10	20	CDCD	
COc1ccc(O)c(CNC(=O)N[C@@H]2CCO[C@H](C)C2)c1	770271236	FKMBWYXNOMLIGO-ZYHUDNBSSA-N	294.351	1.768	10	20	CDCD	
C[C@H](NC[C@@H]1CCCNC1=O)c1c(O)cccc1F	886625773	ZSRMNIPJKYHRPY-UWVGGRQHSA-N	266.316	1.708	10	20	CDCD	
CS[C@@H](CO)[C@H](C)NCc1ccc(N(C)C)cc1	219057699	JWVBYFWIJHJNMB-FZMZJTMJSA-N	268.426	1.955	10	20	CDCD	
CC[C@H]1C[C@@H](C(=O)NCc2ccc(O)c(O)c2)CCO1	780984692	LTCMLFVUJUHWOR-RYUDHWBXSA-N	279.336	1.919	10	20	CDCD	
Cc1ccc(CN2CCC(n3cnnc3O)CC2)c(O)c1	894611762	SITUQLTYEPMKET-UHFFFAOYSA-N	288.351	1.835	10	20	CDCD	
CN1CCCC[C@@H]1C(=O)OCC(=O)c1ccc(O)c(O)c1	783775351	FLKPPEIVJHAVHP-LLVKDONJSA-N	293.319	1.308	10	20	CDCD	
COc1cc(C)cc(CN(C)C2(CO)CCOCC2)c1O	895358167	VGTSSDBZODDIAK-UHFFFAOYSA-N	295.379	1.683	10	20	CDCD	
CC1(C)CNC(=O)[C@@H]1NCc1ccc(N2CCCC2)cc1	895319923	ZLOFMIZESSCOPA-HNNXBMFYSA-N	287.407	1.901	10	20	CDCD	
C[C@H]1NCC[C@@H]1C(=O)N(C)Cc1ccc(N(C)C)cc1	92953817	BANZFHINKVVVQL-DOMZBBRYSA-N	275.396	1.709	10	20	CDCD	
C[C@@H]1NCC[C@@H]1C(=O)NCc1ccc(N(C)C)cc1	92955704	TZCLZKNGTREQPG-FZMZJTMJSA-N	261.369	1.367	10	20	CDCD	
Nc1ccc(CNC(=O)N2CCC[C@@]23CCOC3=O)cc1	1336290148	HSOISFKHFYDWDE-HNNXBMFYSA-N	289.335	1.260	10	20	CDCD	
CCOC(=O)[C@@H](C[C@H]1CCCO1)NCc1ccc(N)cc1	1336286219	PFSBDENOTKPYHL-HUUCEWRRSA-N	292.379	1.859	10	20	CDCD	
CC(C)[C@H](CNC(=O)NCc1c(O)cccc1F)C(=O)O	1343118634	RBCRALCWURXOCY-VIFPVBQESA-N	298.314	1.687	10	20	CDCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1C[C@@H]1F	1263703391	RIIGVENJIHLALC-CABCVRRESA-N	292.354	1.840	10	20	CDCD	
O=C(O)[C@@H](Cc1cnc[nH]1)NCc1ccc2c(c1)CCO2	1353952189	GKKUAMAHNFWLQD-CYBMUJFWSA-N	287.319	1.130	10	20	CDCD	
Cn1cc(CNCc2ccc3c(c2)CCO3)cc1C(=O)O	1600954287	HFJQRAHPHOZIFU-UHFFFAOYSA-N	286.331	1.948	10	20	CDCD	
O=C(O)[C@@H](C[C@@H]1CCCO1)NCc1cccc(F)c1O	1601640179	AGKGUQWQMXBHDV-CMPLNLGQSA-N	283.299	1.643	10	20	CDCD	
O=C(O)[C@H]1[C@H](O)CCCN1Cc1cc(F)c(F)cc1O	1608597771	YQNZDFINMRJWRL-ZYHUDNBSSA-N	287.262	1.080	10	20	CDCD	
C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NC(=O)Cc1ccc(O)c(O)c1	1471934037	CFDLVBAZLXZQAP-KXGXSXBTSA-N	261.321	1.801	10	20	CDCD	
CN(C[C@@H](O)[C@@H]1CCCO1)c1ccc(OCC(=O)O)cc1	1777049212	XAMYBZKUGLBLDG-KGLIPLIRSA-N	295.335	1.126	10	20	CDCD	
CCOc1cccc(CN2CCO[C@H](CF)C2)c1O	840954007	FKSKNHRWFDNCMO-GFCCVEGCSA-N	269.316	1.961	10	20	CDCD	
Oc1ccccc1CNCCc1nnc2ccccn12	20128193	PZEJWNWILUPSLK-UHFFFAOYSA-N	268.320	1.767	10	20	CDCD	
C[S@@](=O)C1(CNCc2ccccc2O)CCC1	280758798	YLUADTGILPJDID-QGZVFWFLSA-N	253.367	1.783	10	20	CDCD	
Oc1ccc(Cl)cc1CN1CC[C@@H](N2CCNCC2)C1	312252376	MVRHEISNKXHLCK-CQSZACIVSA-N	295.814	1.525	10	20	CDCD	
O=C(c1cccc(O)c1O)N1C[C@@H]2[C@H](C1)C2(F)F	715436558	LMTCGGZRQOTAAJ-OCAPTIKFSA-N	255.220	1.435	10	20	CDCD	
O=C(O)C1CC(NCc2ccc3c(c2)CCCO3)C1	900046090	KHRQEQFUFTXBGV-UHFFFAOYSA-N	261.321	1.964	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@@H](C(C)C)N(C)C)c1	114540859	AOQVSVOPBIXELX-CQSZACIVSA-N	280.368	1.603	10	20	CDCD	
OCCO[C@@H]1CCCN(Cc2ccccc2O)C1	179573218	RAUSKJOTQFJKNG-CYBMUJFWSA-N	251.326	1.366	10	20	CDCD	
Nc1ccc(CC(=O)N2CCn3nc(C4CC4)cc3C2)cc1	1341838526	OXDOLKOPXDUTQO-UHFFFAOYSA-N	296.374	1.928	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)c1ccc2nccn2c1	179095014	CFNUFQLCXBBHHD-UHFFFAOYSA-N	297.314	1.718	10	20	CDCD	
Cn1nccc1/C=C1\SC(N2CCCCC2)=NC1=O	23107905	YXFACQRKQGKDJC-LUAWRHEFSA-N	276.365	1.876	10	20	CDCD	
COc1ccc(N2CCCN(CCOCCO)CC2)cc1	304216265	CATTZTYCDUOROJ-UHFFFAOYSA-N	294.395	1.216	10	20	CDCD	
CC(C)OCCC(=O)N[C@H](C)Cc1ccc(O)c(O)c1	183437983	PUSLHQQBEIQCCH-LLVKDONJSA-N	281.352	1.960	10	20	CDCD	
COc1ccc(O)c(CN2CCC3(C2)OCCO3)c1	180028733	KMJMXIINLNDCDU-UHFFFAOYSA-N	265.309	1.350	10	20	CDCD	
CS[C@@H](C)C(=O)NCc1ccc(N2CCOCC2)cc1	48944314	AXTBCCVNPOTULW-LBPRGKRZSA-N	294.420	1.891	10	20	CDCD	
C[C@@H](NCc1cc2c(cc1O)OCO2)C(=O)NC(C)(C)C	134493406	NROSYMYITLSBJJ-SECBINFHSA-N	294.351	1.514	10	20	CDCD	
CS(=O)(=O)NCCCSc1nccs1	49372708	BIYFDBHRXRZQHR-UHFFFAOYSA-N	252.386	1.175	10	20	CDCD	
CN1CC[C@@H](C(=O)NCc2ccc(N(C)C)cc2)CC1=O	44332268	ULAZFXVHASABCC-CYBMUJFWSA-N	289.379	1.237	10	20	CDCD	
C/C=C/C(=O)NCc1ccc(N2CCOCC2)cc1	82275590	YJYJBBAEJYGQMY-NSCUHMNNSA-N	260.337	1.716	10	20	CDCD	
CCOc1ccc(O)c(CN2CCC[C@@H](C(=O)NC)C2)c1	93361213	ZPPHFHBNWVJDQR-GFCCVEGCSA-N	292.379	1.749	10	20	CDCD	
CN1CCCc2cc(CNC(=O)[C@@H]3CCNC3)ccc21	237128749	CCUVJBMOOJAFBF-CQSZACIVSA-N	273.380	1.295	10	20	CDCD	
Cc1nnc(CC(=O)NCc2ccc(N(C)C)cc2)o1	263957953	ISWRJRIPIUFNKJ-UHFFFAOYSA-N	274.324	1.303	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNC(C)(C)CCO)c1O	278300009	CQZBZWXJPGXWCT-UHFFFAOYSA-N	284.312	1.560	10	20	CDCD	
COCCOC[C@@H]1CCN(C(=O)c2cccc(O)c2O)C1	274969014	NBPUKBGVSMHCLP-LLVKDONJSA-N	295.335	1.223	10	20	CDCD	
COCc1nnc(Sc2ncc([N+](=O)[O-])s2)[nH]1	281769471	DCEKIHQWQWIIIE-UHFFFAOYSA-N	273.299	1.467	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CCC(=O)N2C)c1	806791402	DTZALTMRMSQEGK-BXKDBHETSA-N	292.335	1.199	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)NC[C@H]2CCCN2)c1	817952621	RWIMDHOHGIXWFU-ZYHUDNBSSA-N	278.352	1.581	10	20	CDCD	
CC(C)[C@H](O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	813525573	WCMIVMXMOOODMJ-FZMZJTMJSA-N	264.369	1.947	10	20	CDCD	
COc1cccc(CN(C)[C@H]2CC(C)(C)OC2=O)c1O	814181419	ZTFCIVCARZRIOV-NSHDSACASA-N	279.336	1.927	10	20	CDCD	
C[C@@H]1C[C@@H](N[C@H]2[C@@H]3CNC[C@@H]32)c2c(O)ccc(F)c21	817978036	UMMYPQOLKLNXKC-KWDZOERTSA-N	262.328	1.887	10	20	CDCD	
COC[C@@]1(CO)CCN(Cc2cccc(Cl)c2O)C1	825158687	WIOMHQWEKSJGSD-AWEZNQCLSA-N	285.771	1.876	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)CN2CCCC2)c1	821066565	ZIVDSYPFNOECEA-NSHDSACASA-N	278.352	1.674	10	20	CDCD	
CC[C@@H](NCc1ccc([N+](=O)[O-])c(OC)c1O)[C@H](C)O	824921537	MTDCTGUUQWBZEK-WCBMZHEXSA-N	284.312	1.558	10	20	CDCD	
C[C@@H]1COC[C@H]1NC[C@H](c1ccc(N(C)C)cc1)N(C)C	903448815	TWRUJYZRYXXJTK-KBRIMQKVSA-N	291.439	1.980	10	20	CDCD	
C[C@H](NCc1cc([N+](=O)[O-])ccc1O)C(C)(C)O	734841482	PUHIMKWNRFTLMK-QMMMGPOBSA-N	254.286	1.549	10	20	CDCD	
CC(C)(C)[C@H](NC(=O)c1cc(O)cs1)C(=O)O	736290451	GMHWKHXKNONVSV-MRVPVSSYSA-N	257.311	1.683	10	20	CDCD	
COc1cccc(CNC(=O)c2cnn3ccccc23)c1O	732284577	YFVLDZHCKRHKLE-UHFFFAOYSA-N	297.314	1.979	10	20	CDCD	
C[C@@H](NC1CC1)C(=O)NC[C@H](N)c1ccc(N(C)C)cc1	841845937	ICNRNCIAECBHRM-ABAIWWIYSA-N	290.411	1.009	10	20	CDCD	
CN(C)c1ccc(CNc2nc(N)nc3c2cnn3C)cc1	848643631	ROKWATBXLPXIAP-UHFFFAOYSA-N	297.366	1.624	10	20	CDCD	
CCC[C@](C)(N)C(=O)NC[C@H](N)c1ccc(N(C)C)cc1	841846638	RIOLEWQVOCNQBQ-HOCLYGCPSA-N	292.427	1.386	10	20	CDCD	
Cc1ccc(C(=O)N2CCC[C@@H](F)C2)c(O)c1O	846630284	KGMNDCXCZLHCGJ-SECBINFHSA-N	253.273	1.980	10	20	CDCD	
Cc1cc(C)c(O)c(CN2CC[C@@H](C(=O)N(C)C)C2)c1	840178227	NCYIOLJMQLVWSO-CYBMUJFWSA-N	276.380	1.919	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N2CCCNCC2)cc1F	841758713	CWNKGOKRQAWHMH-UHFFFAOYSA-N	294.374	1.397	10	20	CDCD	
COc1ccc(O)c(CNC[C@H](C(=O)O)C2CCC2)c1	854248230	RHGRFLSCFPJVAZ-ZDUSSCGKSA-N	279.336	1.991	10	20	CDCD	
Nc1ccc(NC(=O)C(=O)N[C@@]23CCC[C@@H]2C3)cc1	927935776	IKLLWLZDKYPHJY-YMTOWFKASA-N	259.309	1.266	10	20	CDCD	
C[C@H]1CN(Cc2ccc(N3CCC(O)CC3)cc2)CCO1	876555735	FFSTZHBEHDXLPC-AWEZNQCLSA-N	290.407	1.868	10	20	CDCD	
C[C@H](NC(=O)CSCC(N)=O)c1ccc(N(C)C)cc1	773010384	PHJZNMZBHUPYRM-JTQLQIEISA-N	295.408	1.148	10	20	CDCD	
Cc1cccc(O)c1CNC[C@H]1CCCS1(=O)=O	877111660	LENYEINLFYAUDF-LLVKDONJSA-N	269.366	1.367	10	20	CDCD	
CSCCNC(=O)/C=C/c1ccc(O)c(O)c1	779489471	PIPMNMUIVYIRBQ-HWKANZROSA-N	253.323	1.590	10	20	CDCD	
COc1cc(O)c(CN(CCO)CC2CC2)cc1OC	775661217	LBCAVAUEVFUOAS-UHFFFAOYSA-N	281.352	1.614	10	20	CDCD	
CCOCCOC(=O)/C=C/c1ccc(O)c(O)c1	772778103	ZTNTUFAVRKRDJX-GQCTYLIASA-N	252.266	1.691	10	20	CDCD	
CC(C)[C@@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)CCO1	779547493	VKXINQXZSLHHBF-DRDHIDPGSA-N	291.347	1.994	10	20	CDCD	
COc1cccc(CNC(=O)[C@H]2CO[C@@H](C)C2)c1O	784444622	YTXUSHAEBPRGER-GXSJLCMTSA-N	265.309	1.442	10	20	CDCD	
NC[C@H]1CC[C@H](CNC(=O)NCc2ccc(N)cc2)CC1	1120664664	JYWGDTCWKMRVAB-JOCQHMNTSA-N	290.411	1.833	10	20	CDCD	
C[C@@H]1C[C@@H](NC(=O)N[C@H](C)c2ccccc2O)CCN1	892097862	SRTNHQPRVBWKAO-UTUOFQBUSA-N	277.368	1.893	10	20	CDCD	
COc1cc(C)cc(CN[C@H]2CCOC2=O)c1O	895808856	UVHSUBUVJLPZMS-JTQLQIEISA-N	251.282	1.114	10	20	CDCD	
COc1ccc(CN(C)CC2(O)CCC2)c(O)c1OC	893576488	AALXLJYMPLMULU-UHFFFAOYSA-N	281.352	1.756	10	20	CDCD	
CNC(=O)C[C@@H](C)NCc1cc(C)cc(OC)c1O	894917152	KSMJGECCECAKEK-SNVBAGLBSA-N	266.341	1.323	10	20	CDCD	
CCOc1ccc(CNC[C@H](CO)[C@H]2CCOC2)c(O)c1	795581239	GSIKJWVKZDNSRI-UONOGXRCSA-N	295.379	1.526	10	20	CDCD	
CO[C@@H]1COCC[C@H]1CNC(=O)NCc1ccc(N)cc1	1346648282	MGHSHSCWIMCPJD-GXTWGEPZSA-N	293.367	1.120	10	20	CDCD	
Cc1nnc(CN[C@H](C)c2cc(C(=O)O)ccc2O)n1C	1608016764	WQXXWQMNRLBSKB-MRVPVSSYSA-N	290.323	1.378	10	20	CDCD	
Cn1cncc1CSc1ncc(C(=O)O)s1	1600994306	NSAKIDMXIGDXFD-UHFFFAOYSA-N	255.324	1.867	10	20	CDCD	
CNC(=O)C(C)(C)CN[C@H](C)c1cc(C(=O)O)ccc1O	1610142701	QNXASGYXMHASPR-SECBINFHSA-N	294.351	1.513	10	20	CDCD	
C[C@H](N[C@@H](C)C1(CO)CC1)c1cc(C(=O)O)ccc1O	1593198302	PYLJOFDCPMVUHA-UWVGGRQHSA-N	279.336	1.902	10	20	CDCD	
COc1cc(C)c(CN2C[C@H]3[C@@H](C2)[C@@H]3C(=O)O)c(O)c1	1599391279	OXFRIJOUAUKSAN-IMRBUKKESA-N	277.320	1.472	10	20	CDCD	
CC[C@H](C)[C@@H](NCc1cc([N+](=O)[O-])ccc1O)C(=O)O	1776687523	ZSQUIWPCEAIMLU-QPUJVOFHSA-N	282.296	1.889	10	20	CDCD	
CCOc1cccc(CN[C@@H](C)CN(C)C)c1O	168753387	XQUPDKYZCIOZAE-NSHDSACASA-N	252.358	1.831	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2cccc(=O)n2C)cc1	156044534	UOROSAYREKKZGG-UHFFFAOYSA-N	285.347	1.381	10	20	CDCD	
COc1ccc(O)c(CNC(=O)/C=C/C2CCOCC2)c1	155994320	MRLAXZKSFUDIDY-GORDUTHDSA-N	291.347	2.000	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC[C@H]2CCCNC2=O)c1	838913649	WBGZLFZJNVAYCM-WDEREUQCSA-N	278.352	1.578	10	20	CDCD	
COc1cccc(O)c1CN1CC[C@H]2NCC[C@@H]2C1	843127744	SXXMIESPAOAYDT-DGCLKSJQSA-N	262.353	1.585	10	20	CDCD	
COCC[C@](C)(O)CNCc1ccc(N(C)C)cc1	172070451	MSMDMWXBUZLRDD-HNNXBMFYSA-N	266.385	1.630	10	20	CDCD	
CCOc1cccc(CN2CCC[C@@H](NC)C2)c1O	53201206	FWUJBFTWIXRNTF-CYBMUJFWSA-N	264.369	1.975	10	20	CDCD	
COc1ccc(O)c(CNC[C@@H](O)C2CCC2)c1	316661120	XCFKRNQIMBZELC-CQSZACIVSA-N	251.326	1.651	10	20	CDCD	
c1cc2c(cc1CN[C@H]1C[C@H]3CC[C@H]1NC3)CCO2	530247255	YUEMJVPHNSADAI-YUELXQCFSA-N	258.365	1.852	10	20	CDCD	
CCO[C@H]1CCN(Cc2cc3c(cc2O)OCO3)C1	706223192	RJHLUBPRJGWINV-NSHDSACASA-N	265.309	1.732	10	20	CDCD	
CCc1cccc(CN2CCS(=O)(=O)C[C@H]2C)c1O	692089204	ASJGSLQRMNIKPV-LLVKDONJSA-N	283.393	1.574	10	20	CDCD	
Oc1cc2c(cc1CNCc1csnn1)OCO2	398284488	MSZUNHLYMSKZIY-UHFFFAOYSA-N	265.294	1.262	10	20	CDCD	
COCCOCCCNC(=O)N(C)Cc1ccccc1O	103320147	COSKCMOTTVWCEY-UHFFFAOYSA-N	296.367	1.587	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCOC1	66895591	YQGNENSYVFXMHW-ZDUSSCGKSA-N	262.353	1.748	10	20	CDCD	
CCCCNC(=O)CN1CCOc2cc(N(C)C)ccc21	175028513	RACZCZVHWCYXSP-UHFFFAOYSA-N	291.395	1.868	10	20	CDCD	
COCC[C@H](CO)N[C@H](C)c1ccc(F)cc1O	305975883	ZUQSZAVGEIMCTM-MWLCHTKSSA-N	257.305	1.579	10	20	CDCD	
CN(Cc1cc(=O)c(O)co1)Cc1ccccc1O	124740937	URNFQKYCAOBCOF-UHFFFAOYSA-N	261.277	1.683	10	20	CDCD	
COC(=O)C[C@H]1CN(Cc2c(O)cccc2Cl)CCO1	127213535	JVBYRAZONWMEDA-JTQLQIEISA-N	299.754	1.810	10	20	CDCD	
CC[C@H](SC)C(=O)NCCc1ccc(O)c(O)c1	122111031	WCAHAAQADVJKNU-LBPRGKRZSA-N	269.366	1.898	10	20	CDCD	
CNC(=O)[C@H](C)CN(C)Cc1cc(F)cc(C(C)=O)c1O	79497957	XDWKFBPVOQMSCY-SECBINFHSA-N	296.342	1.548	10	20	CDCD	
Cc1ccc(O)c(CN[C@H](C)CC[S@](C)=O)c1	125534130	ICQSPVCOXRWSKV-PIGZYNQJSA-N	255.383	1.947	10	20	CDCD	
O=S1(=O)CCC[C@@H]1CNCc1c(O)cccc1Cl	131738874	PXXBROUGJFTQJL-SECBINFHSA-N	289.784	1.712	10	20	CDCD	
Cc1ccc(F)cc1C=C1C(=O)N(C)C(=O)N(C)C1=O	182049442	WXCCPRMUSAUOID-UHFFFAOYSA-N	276.267	1.568	10	20	CDCD	
COc1ccc(O)c(CN2CCS(=O)(=O)CC[C@H]2C)c1	192054148	UKEFKDPBUVNOMW-LLVKDONJSA-N	299.392	1.410	10	20	CDCD	
C[C@@H](N[C@@H](CO)c1cnn(C)c1)c1ccc(N(C)C)cc1	90885056	OIXYNOPLEQCYEQ-WBMJQRKESA-N	288.395	1.870	10	20	CDCD	
CC(=O)NCCCN[C@@H](C)c1ccc(C)cc1O	184921908	AUNKUQGKSQKAKW-NSHDSACASA-N	250.342	1.877	10	20	CDCD	
CCCN(CC)CCNC(=O)NCc1ccccc1O	266947294	JJMOMLUBRFJWKJ-UHFFFAOYSA-N	279.384	1.923	10	20	CDCD	
CCCC[C@@H](NC(N)=O)C(=O)NCCc1ccc(N)cc1	262574349	HOEKHCPJBFYRBD-CYBMUJFWSA-N	292.383	1.155	10	20	CDCD	
O=C(NCc1ccccc1O)NOC[C@@H]1CCOC1	276248112	HAWIIXATHNBBBV-SNVBAGLBSA-N	266.297	1.160	10	20	CDCD	
CCOC1CC(O)(CNCc2ccc3c(c2)CCO3)C1	277803617	XZKRHPBZGJQFGM-UHFFFAOYSA-N	277.364	1.641	10	20	CDCD	
COc1cccc(CNC(=O)NOC[C@@H]2CCOC2)c1O	276382346	WWIAFQJPTQOYIW-SNVBAGLBSA-N	296.323	1.168	10	20	CDCD	
C[C@@H]1C[C@@H](C)[C@@H](C(=O)NCCc2ccc(O)c(O)c2)O1	282291941	FQONDFPJXNKBPK-RULNRJAQSA-N	279.336	1.570	10	20	CDCD	
COc1ccc(O)c(CN2CCOCC(F)(F)C2)c1	290130053	JPGMBYWSWIOTOF-UHFFFAOYSA-N	273.279	1.868	10	20	CDCD	
Cc1ccc(C(=O)OCCCCCO)c(O)c1O	803327780	JYFWNGJAMYIQBY-UHFFFAOYSA-N	254.282	1.726	10	20	CDCD	
Cc1cc(O)c(CN(CCN(C)C)CCN(C)C)cc1C	809741650	REFAYZGHNBOPNO-UHFFFAOYSA-N	293.455	1.934	10	20	CDCD	
Cc1ccc(O)c(CN2C[C@@H](CO)OC(C)(C)C2)c1	817413527	YSIAUBNGFMHLDU-ZDUSSCGKSA-N	265.353	1.672	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC[C@H]2CNCCO2)c1	817983590	OMOJXNAITSHTFS-ZYHUDNBSSA-N	266.341	1.040	10	20	CDCD	
O=C(/C=C\c1ccc(Cl)nc1)N1CCn2nccc21	493302911	LYFRSMUDVRVWCI-RQOWECAXSA-N	274.711	1.992	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)CCc2nnc(C)o2)c1	824904116	IMNCCCIKKPFKHC-UHFFFAOYSA-N	275.308	1.641	10	20	CDCD	
CCNC(=O)CCC(=O)N[C@H](C)c1ccccc1O	827930656	OLSFQXDJBDCTGE-SNVBAGLBSA-N	264.325	1.486	10	20	CDCD	
COc1cccc(CNC(=O)[C@@H]2[C@@H]3CCC(=O)[C@H]32)c1O	907061659	WOIQXRFXZLLDKO-JIMOISOXSA-N	275.304	1.242	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@@H](C)CC(=O)O)c1	832424762	JMXVCEBIVBHMIV-QMMMGPOBSA-N	267.281	1.128	10	20	CDCD	
C[C@H]1C[C@H](N[C@@H]2COC[C@H]2O)c2c(O)ccc(F)c21	834897964	XSULCXBUFYLBEX-QAHWYCSRSA-N	267.300	1.429	10	20	CDCD	
CC(C)(C)[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)C(N)=O	588406410	ONHFVGWBJGJHFU-SCXUMTSISA-N	292.335	1.127	10	20	CDCD	
C[C@@H]1CCC[C@@]1(O)CNC(=O)c1cc(O)cs1	832903970	GQZDBFOAIQYQQU-PRHODGIISA-N	255.339	1.735	10	20	CDCD	
O=C(NCc1ccccc1O)c1cc([N+](=O)[O-])cnc1O	748349248	CMDWSASIVYAMRJ-UHFFFAOYSA-N	289.247	1.331	10	20	CDCD	
CC[C@H]1CC[C@@H](C(=O)NCc2ccc(O)cc2O)O1	910950863	LHJLWCSNWQIKPR-AAEUAGOBSA-N	265.309	1.672	10	20	CDCD	
Cc1cc(O)c(CNCCCN2CCNCC2)cc1C	841031204	YQFZRIGEQPOVQD-UHFFFAOYSA-N	277.412	1.394	10	20	CDCD	
O=[N+]([O-])c1cc(Cl)cc(CN[C@@H](CO)CCF)c1O	846096970	KISZVBLGAXPILE-SECBINFHSA-N	292.694	1.764	10	20	CDCD	
C[C@@H](NCc1cc2c(cc1O)OCO2)[C@H]1CCCNC1	841032740	GDEYTIDEZNGSMW-MNOVXSKESA-N	278.352	1.599	10	20	CDCD	
C[C@H](C1CC1)N(C)S(=O)(=O)N(C)Cc1ccccc1O	751236706	YUHUJUGUZAMLBM-LLVKDONJSA-N	298.408	1.799	10	20	CDCD	
CC[C@@H](O)CNC(=O)NCc1ccc(N(C)C)cc1	853245453	ZOSYTPFZOFOXIS-CYBMUJFWSA-N	265.357	1.323	10	20	CDCD	
C[C@@H]1CN(CCN[C@H](C)c2ccc(F)cc2O)CCO1	756547295	YLBXTPIYIVSIDM-VXGBXAGGSA-N	282.359	1.903	10	20	CDCD	
COc1cccc([C@@H](C)N[C@@H]2CCN(C(C)=O)C2)c1O	857084319	MJYIUUSZVPZERO-ZYHUDNBSSA-N	278.352	1.672	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)CCCCc2cnn[nH]2)c1	862757060	FZRSQIRZAKQBTG-UHFFFAOYSA-N	288.351	1.848	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)Cn2nccc2C)c1	862754160	SKLDBNARYVLOHB-UHFFFAOYSA-N	259.309	1.522	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCC(N2CCOCC2)CC1	862214217	KFOYLSRQTAKBFL-UHFFFAOYSA-N	296.392	1.391	10	20	CDCD	
COCCOC1CN(Cc2ccc(C)cc2O)C1	877140374	SRYOFADERGVHHN-UHFFFAOYSA-N	251.326	1.548	10	20	CDCD	
Cc1ccc(CN[C@@H]2CCc3c(nnn3C)C2)c(O)c1	877618148	JBYKBSWKIRDJGB-GFCCVEGCSA-N	272.352	1.476	10	20	CDCD	
CC[C@@H](N[C@@H]1CCOC[C@H]1O)c1ccccc1O	872141038	IVTVOBCKNLZANU-YRGRVCCFSA-N	251.326	1.583	10	20	CDCD	
CCN(C)c1ccc(CN2C[C@@H](CO)[C@H](CO)C2)cc1	1118891984	GYVDNVTYZNANHY-GJZGRUSLSA-N	278.396	1.175	10	20	CDCD	
COc1cccc([C@@H](C)NCCN2CCNC2=O)c1O	886744972	LBQLYCKERQMXDJ-SNVBAGLBSA-N	279.340	1.077	10	20	CDCD	
C[C@H](NC[C@H](O)c1cnn(C)c1)c1c(O)cccc1F	886532231	GGTFUUROTHCGNJ-ZANVPECISA-N	279.315	1.649	10	20	CDCD	
CC[C@@H](C(=O)NCc1ccc(N(C)C)cc1)[C@H](C)O	789944183	MRAYUDPQMOKMIN-SMDDNHRTSA-N	264.369	1.776	10	20	CDCD	
C[C@H]1C[C@@H](C(=O)OCC(=O)c2ccc(O)c(O)c2)CCO1	784567430	MLXQCMSWQQCIKY-ONGXEEELSA-N	294.303	1.639	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)[C@@H]1NC(=O)O[C@@H]1C	788656903	YWSJLRBUVXDNCJ-ZWNOBZJWSA-N	292.335	1.628	10	20	CDCD	
CCOCCOCCNCc1cc(C)cc(OC)c1O	897205500	XXVRRXZPQOGXLX-UHFFFAOYSA-N	283.368	1.852	10	20	CDCD	
C[C@@H](N[C@@H]1CCC(=O)NC1=O)c1ccc(N(C)C)cc1	89752068	RDTRPYAQZIMGHC-ZWNOBZJWSA-N	275.352	1.208	10	20	CDCD	
C[C@@H]1C[C@@H](C(=O)NCCc2ccc(O)c(O)c2)CO1	784447581	VJRCLRKCDVEGFM-MWLCHTKSSA-N	265.309	1.182	10	20	CDCD	
O=C(O)[C@@H]1[C@H]2CN(Cc3cc(F)cc(F)c3O)C[C@H]21	1602205008	RNTIEGYTUMYVEW-JZYVYDRUSA-N	269.247	1.433	10	20	CDCD	
CN1C(=O)C2(CCCC2)N[C@@H]1c1cc(O)ccc1O	1323207389	WQLVXUDZQSFGBQ-LBPRGKRZSA-N	262.309	1.471	10	20	CDCD	
CN(C)c1ccc(OCC(=O)N2CCC2)cc1C(=O)O	1606058524	CRJSEFXXCPQATB-UHFFFAOYSA-N	278.308	1.062	10	20	CDCD	
CCOCCCNC(=O)NCc1ccc(N)cc1	1262596785	SFKCGLXOZOKVKN-UHFFFAOYSA-N	251.330	1.495	10	20	CDCD	
C[C@@H]1CC[C@@H](NC(=O)NCc2c(O)cccc2F)CN1	1576667183	SGWFAJCIIRVONS-NXEZZACHSA-N	281.331	1.471	10	20	CDCD	
CC(C)[C@@H](C(=O)O)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	1589079189	NRDFRTFXWXTGAT-NOZJJQNGSA-N	295.335	1.502	10	20	CDCD	
Nc1ccc(NC(=O)NCCCCCCO)cc1	841296147	PDENFABEAFMOBQ-UHFFFAOYSA-N	251.330	1.943	10	20	CDCD	
CC(C)[C@@H](CO)CNC(=O)Nc1ccc(N)cc1	841300372	WDECUVWJTBGUPH-SNVBAGLBSA-N	251.330	1.655	10	20	CDCD	
COc1ccc(N(C)CC2(CS(C)(=O)=O)CC2)cc1	844353536	XUXYOWCGPJEDCY-UHFFFAOYSA-N	283.393	1.956	10	20	CDCD	
Cc1cccc(O)c1CN1CCC(S(C)(=O)=O)CC1	876764423	NPASCGDDOMCQAK-UHFFFAOYSA-N	283.393	1.710	10	20	CDCD	
CCOc1cccc(CN2CCO[C@@H]([C@H](C)N)C2)c1O	252685367	IAKWVHRIEWHOCA-SMDDNHRTSA-N	280.368	1.339	10	20	CDCD	
CS(=O)(=O)[C@@H]1CCCN(Cc2ccccc2O)C1	311007316	WNXXEYQPMRDWBS-GFCCVEGCSA-N	269.366	1.401	10	20	CDCD	
COc1cccc(CN2CC[C@@H]3NCC[C@@H]3C2)c1O	311701305	MAJHWMPXYDRVRI-YPMHNXCESA-N	262.353	1.585	10	20	CDCD	
Cc1cc(O)ccc1NS(=O)(=O)c1c[nH]c(C(=O)O)c1	80357701	PRSHZBJDSQZITH-UHFFFAOYSA-N	296.304	1.528	10	20	CDCD	
OC[C@H](C[C@@H]1CCCO1)NCc1cc(F)cc(F)c1O	886220953	QCWADAKMIZPKEK-RYUDHWBXSA-N	287.306	1.690	10	20	CDCD	
CN(C)C(=O)CN1CCC(NCc2ccccc2O)CC1	69025056	LTKPEDHYDJLKEX-UHFFFAOYSA-N	291.395	1.034	10	20	CDCD	
Cc1cc(C(=O)OCC(N)=O)c(C)n1-c1ccccn1	119871454	FKDQVIBTKDQLLR-UHFFFAOYSA-N	273.292	1.131	10	20	CDCD	
O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1CCNC1	178711136	GAOSYISWZXVQSW-CQSZACIVSA-N	273.380	1.513	10	20	CDCD	
CC(C)(CO)CNCc1cc2c(cc1O)OCO2	124321940	YLROMEPEBVZIRQ-UHFFFAOYSA-N	253.298	1.229	10	20	CDCD	
O=C(O)[C@@H]1CCCN1C(=O)/C=C/c1ccc(O)c(O)c1	72183031	QXEBSJWHWIIVGU-RWCYGVJQSA-N	277.276	1.187	10	20	CDCD	
CC[C@H]1C(=O)NCCN1Cc1cc(Cl)cc(OC)c1O	184688341	PXUDJYHNEDQOIJ-NSHDSACASA-N	298.770	1.765	10	20	CDCD	
COc1cc(Cl)cc(CN2CCCC[C@@H]2C(N)=O)c1O	184674715	QFXUGTYDFAKLKX-LLVKDONJSA-N	298.770	1.894	10	20	CDCD	
CCN(C)S(=O)(=O)N(C)Cc1ccccc1O	159646105	XFDIKWTYROZFMR-UHFFFAOYSA-N	258.343	1.021	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccn1C	183422695	PTTSPKGUFPBTFJ-JTQLQIEISA-N	274.320	1.797	10	20	CDCD	
C[C@H](C[S@](C)=O)N(C)Cc1ccc(N(C)C)cc1	131182300	RRTLSXVYWLWYBT-KZULUSFZSA-N	268.426	1.951	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2C[C@@H](C)O[C@@H](CO)C2)c1O	191723148	WYPNGWGCWSTBNT-NOZJJQNGSA-N	297.326	1.316	10	20	CDCD	
CS(=O)(=O)C1(CN[C@H]2CCc3cccc(O)c32)CC1	296450122	NFFYFUNHMJVXOZ-NSHDSACASA-N	281.377	1.546	10	20	CDCD	
CCN(CC)c1ccc([C@H]2NC(=O)CN2C)cc1F	265777923	NSTFMCFETPCWEV-AWEZNQCLSA-N	265.332	1.732	10	20	CDCD	
CCN(CC(=O)NC[C@H]1CCCO1)c1ccc(OC)cc1	269577561	CYZLMXNXKBYKBE-OAHLLOKOSA-N	292.379	1.817	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNC[C@H](C)OC)c1O	278430562	TYLLKYSBEIDYQT-QMMMGPOBSA-N	270.285	1.434	10	20	CDCD	
Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CO)C2)c(O)c1O	276840846	MPDSIULRLGDEGJ-ZJUUUORDSA-N	265.309	1.107	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C1CCN(C)CC1	274944513	QJPKOQFKQLZLMQ-NSHDSACASA-N	292.379	1.487	10	20	CDCD	
O=C(NCc1ccccc1O)OC1CCOCC1	289509519	QVKWGNLOBDTGKN-UHFFFAOYSA-N	251.282	1.797	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](C)CC(N)=O	282874700	AWXFMNRWKKIHCC-LBPRGKRZSA-N	291.395	1.613	10	20	CDCD	
Cc1cc(CN(C)CC(=O)N(C)C)ccc1N(C)C	293648716	XWWWCQMFUZAHBT-UHFFFAOYSA-N	263.385	1.581	10	20	CDCD	
Cc1onc(N)c1S(=O)(=O)N(C)Cc1ccccc1O	290734542	LMKBDDDVMIPWBQ-UHFFFAOYSA-N	297.336	1.092	10	20	CDCD	
C[C@@H]1COCC[C@H]1CNC(=O)c1c(F)ccc(O)c1O	295688763	IVNKEVKWAWMNRI-BDAKNGLRSA-N	283.299	1.639	10	20	CDCD	
CC(=O)C(=O)CN1C(=O)S/C(=C\c2cccs2)C1=O	808020858	PVCBBIUMRCWIFF-YHYXMXQVSA-N	295.341	1.943	10	20	CDCD	
CCOc1ccc(CN(C)Cc2nncn2C)c(O)c1	809777646	UQOYGRXIOSRZHM-UHFFFAOYSA-N	276.340	1.551	10	20	CDCD	
CON(C)C(=O)CNCc1ccc(N2CCCCC2)cc1	397519357	CQSDHZNQXCFYDN-UHFFFAOYSA-N	291.395	1.786	10	20	CDCD	
COC[C@@]1(CN[C@H]2CCc3cccc(O)c32)CCCN1	817975027	QBFFNHNNGLXKHD-BBRMVZONSA-N	276.380	1.738	10	20	CDCD	
COc1ccc(N2CC[C@@H](CNC(=O)C(F)F)C2)cc1	819578409	KLIXOTANRGFPFK-JTQLQIEISA-N	284.306	1.903	10	20	CDCD	
CCCN1C[C@H](CNCc2cc(OC)ccc2O)CC1=O	817411540	UIZAMRHPAJNWMV-LBPRGKRZSA-N	292.379	1.749	10	20	CDCD	
COc1ccncc1CNC(=O)NCc1ccccc1O	814417327	OTZQOPNCLWMOKZ-UHFFFAOYSA-N	287.319	1.795	10	20	CDCD	
COc1ccc(CNC(=O)[C@@H](O)C(C)C)c(O)c1	813553454	COOWSIORUVFXKX-LBPRGKRZSA-N	253.298	1.034	10	20	CDCD	
COCC[C@H](C)N1C(=O)CN(Cc2ccccc2O)C1=O	819168533	TXQXOCIVFVACLK-NSHDSACASA-N	292.335	1.581	10	20	CDCD	
C[C@H](O)C1(NCc2cc(Cl)cc([N+](=O)[O-])c2O)CC1	827579749	JCUWKPOBDGQEHN-ZETCQYMHSA-N	286.715	1.957	10	20	CDCD	
C[C@@H]1[C@H](O)CCN1Cc1ccc(N2CCN(C)CC2)cc1	825104120	NZONYDBPAXNMGA-RHSMWYFYSA-N	289.423	1.394	10	20	CDCD	
OCCCN1CCC[C@H]1CNCc1ccc2c(c1)CCO2	824558990	BRYLPGWJZUELSU-INIZCTEOSA-N	290.407	1.558	10	20	CDCD	
COc1ccc(O)c(CNC(=O)CCC(C)(C)[N+](=O)[O-])c1	825841089	YZFHYTMPGGLHML-UHFFFAOYSA-N	296.323	1.853	10	20	CDCD	
O=C(N[C@H]1CCN(C2CC2)C1)c1cc(O)cs1	732278168	VFRHVWBOJXSHLH-QMMMGPOBSA-N	252.339	1.420	10	20	CDCD	
COc1ccc(CNC[C@@]2(C)CCC(=O)N2)cc1C	835061896	VUKREBKMDKUITB-OAHLLOKOSA-N	262.353	1.762	10	20	CDCD	
C[C@H](NCCN1CCCOCC1)c1c(O)cccc1F	903227699	MXNWOXOGBNGSEA-LBPRGKRZSA-N	282.359	1.904	10	20	CDCD	
Cn1ccsc1=NC(=O)/C=C/c1ccc(O)c(O)c1	588404289	JCWVZUDXAOCZDZ-SQNQYMTDSA-N	276.317	1.639	10	20	CDCD	
O=C(NCC[C@@H]1C[C@H]2CC[C@H]1O2)c1c(F)ccc(O)c1O	839800864	YAVKHFGPLJBZRZ-KBVBSXBZSA-N	295.310	1.924	10	20	CDCD	
CCN(CC(=O)O)Cc1ccc(N(C)C)c(F)c1	901426140	BUULFMYFMSPPPP-UHFFFAOYSA-N	254.305	1.798	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@@H](O)c2cccnc2)c1	734014831	FADMGBALPLMCTO-AWEZNQCLSA-N	288.303	1.146	10	20	CDCD	
CC(C)(C)C(=O)NCCNC(=O)c1cc(O)cs1	732280532	CXMXEHBHPTYCBE-UHFFFAOYSA-N	270.354	1.346	10	20	CDCD	
O=C(NCc1c(O)ccc2c1CCCC2)c1cnnc(O)c1	830558904	DLOJSETZOBMFMR-UHFFFAOYSA-N	299.330	1.697	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2CC[C@@H]3CNC[C@@H]32)c1O	841026498	FEQLXDFTKMLGCD-SKDRFNHKSA-N	293.323	1.103	10	20	CDCD	
Oc1cc2c(cc1CN[C@@H]1CCNC3(CCC3)C1)OCO2	841089991	SWYLLEGZVLVIMD-GFCCVEGCSA-N	290.363	1.885	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN(C)Cc1nc[nH]n1	840917865	PFEJEDZNKIOPTR-UHFFFAOYSA-N	259.357	1.811	10	20	CDCD	
N[C@H]1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2O)C1	843046762	AZVLMXMVJUAGPO-VIFPVBQESA-N	271.704	1.487	10	20	CDCD	
COc1cccc(CNC(=O)C[C@H](C)CC(=O)O)c1O	911337887	YTNSEOUSCGWOLW-VIFPVBQESA-N	281.308	1.518	10	20	CDCD	
C[C@@H](CN)NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	841982236	LGYKNGLUDMPYME-LBPRGKRZSA-N	290.411	1.774	10	20	CDCD	
O=C1NC[C@@H](CSc2ncc(Cl)s2)O1	849999353	ZCFKZWJIUPOQIB-BYPYZUCNSA-N	250.732	1.997	10	20	CDCD	
CNC(=O)C[C@@H](C)N[C@@H](C)c1cccc(OC)c1O	846167677	ASBVLCNNHZDVKS-ZJUUUORDSA-N	266.341	1.576	10	20	CDCD	
COCC(COC)NCc1ccc(N(C)C)cc1C	840951172	UCPINJZZNINHDK-UHFFFAOYSA-N	266.385	1.812	10	20	CDCD	
C[C@@H](CCCCN)NCc1cc2c(cc1O)OCO2	841078834	HCAIFGNWAWVBMT-JTQLQIEISA-N	266.341	1.728	10	20	CDCD	
CC[C@H](O)CNCc1ccc(N2CCC(O)CC2)cc1	853122900	VMRMVVLRFRFWKF-HNNXBMFYSA-N	278.396	1.508	10	20	CDCD	
COc1ncc(/C=C/C(=O)N2CCc3ncc(C)cc32)cn1	857875223	YBEPYNMYHLTACI-ONEGZZNKSA-N	296.330	1.791	10	20	CDCD	
CCCN(CCc1cnn[nH]1)Cc1ccccc1O	851792683	QSZJFIMISIGCEB-UHFFFAOYSA-N	260.341	1.965	10	20	CDCD	
CNC(=O)[C@@H]1CCC[C@H]1NCc1cc2c(cc1O)OCO2	765795585	KDDNUAQWJJCMHJ-GHMZBOCLSA-N	292.335	1.125	10	20	CDCD	
C[C@@H](C[S@](C)=O)NC(=O)N[C@H](C)c1ccccc1O	868494132	LQIXIWQDPPVYNR-DQPNGWRMSA-N	284.381	1.519	10	20	CDCD	
CCOc1ccc(CN2CCCN(C(C)=O)CC2)c(O)c1	768215834	NFTABLDLYCVYMM-UHFFFAOYSA-N	292.379	1.845	10	20	CDCD	
C[C@H]1CN(Cc2cc3c(cc2O)OC[C@H]3O)C[C@@H](C)O1	768438357	RTJRPPKVRBCCJE-ISTVAULSSA-N	279.336	1.427	10	20	CDCD	
COc1cccc(CNC(=O)/C=C\SC)c1O	769508113	RGYAJQDAROOXLE-SREVYHEPSA-N	253.323	1.894	10	20	CDCD	
Cc1ccc(CNC[C@H]2CCCN2S(C)(=O)=O)c(O)c1	877118483	CKYKQEOFJYRVRD-CYBMUJFWSA-N	298.408	1.214	10	20	CDCD	
COC(=O)CCN[C@H](C)c1ccc(N2CCOCC2)cc1	775620370	YAFXKQWYJVKYES-CYBMUJFWSA-N	292.379	1.737	10	20	CDCD	
C[C@@H](NC(=O)c1cnn(C)c1)c1ccc(N(C)C)cc1	773015521	PIRXBENQOZBHIE-LLVKDONJSA-N	272.352	1.977	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)c1cccn2c(O)nnc12	770551462	BSVLSTPRTXLUQD-UHFFFAOYSA-N	298.302	1.413	10	20	CDCD	
Cc1ccc(C(=O)N[C@H](C)C[C@H](C)O)c(O)c1O	783631175	MXQCFBWMTYCJJX-BDAKNGLRSA-N	253.298	1.295	10	20	CDCD	
CCCN(CC(=O)N(C)C)Cc1cccc(OC)c1O	133665202	SMPCVKRKVIGOAL-UHFFFAOYSA-N	280.368	1.701	10	20	CDCD	
COCCC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	891253421	SJNJJIPJLBEXGB-OAHLLOKOSA-N	293.411	1.508	10	20	CDCD	
COc1ccc(CNCCN2CCCC2)c(O)c1OC	893319713	JOVDPXKAOUXZEN-UHFFFAOYSA-N	280.368	1.595	10	20	CDCD	
CCc1cccc(CNC[C@]2(O)CCOC2)c1O	691482117	JMCYVNXNVBFZBD-CQSZACIVSA-N	251.326	1.196	10	20	CDCD	
Cc1nnc(N(C)C(=O)/C=C/c2ccc(O)c(O)c2)s1	794019735	ZIEGJQQEGTVVIO-GQCTYLIASA-N	291.332	1.934	10	20	CDCD	
COc1ccc(CNC(=O)/C=C/C2CCOCC2)c(O)c1	794377388	NLDUZLNFIDIHCW-GORDUTHDSA-N	291.347	2.000	10	20	CDCD	
CCO[C@@H]1C[C@@H](NCc2ccc3c(c2)CCO3)[C@@H]1OC	775979201	RTYKAEIRLFOYFN-BMFZPTHFSA-N	277.364	1.904	10	20	CDCD	
CN(C)c1ccc(CNC(=O)C(=O)N2CC(C)(C)C2)cc1	1256886043	MMLRQBAVQWJXGJ-UHFFFAOYSA-N	289.379	1.237	10	20	CDCD	
COc1ccc(CN2CC[C@](O)(C3CC3)C2)c(O)c1OC	1335049841	CHSUSKDYERTULO-MRXNPFEDSA-N	293.363	1.756	10	20	CDCD	
CC(C)OCCOC[C@@H](O)CN(C)Cc1ccc(N)cc1	1336286543	RPNYTTYJOYLOCS-INIZCTEOSA-N	296.411	1.503	10	20	CDCD	
Cc1c[nH]nc1-c1nnc(N(C)Cc2ccccc2O)n1C	1339556711	WLEJIWDPZOXAGJ-UHFFFAOYSA-N	298.350	1.856	10	20	CDCD	
C[C@@H](O)[C@@H]1CCCN(C(=O)NCc2ccc(N)cc2)C1	1346738729	JXUDAKWTDNKXQF-DGCLKSJQSA-N	277.368	1.571	10	20	CDCD	
COc1ccc(CNC(=O)c2cnc(C3CC3)[nH]2)c(O)c1	1344406408	QMZPNGVQLSLNJV-UHFFFAOYSA-N	287.319	1.931	10	20	CDCD	
C[C@]1(N)CCCC[C@H]1C(=O)NCc1ccc(N)cc1	1343567884	UIXBJIYUVXYQNV-ZFWWWQNUSA-N	261.369	1.793	10	20	CDCD	
O=C(NCc1cccc(O)c1O)[C@@H](O)C1CCCCC1	1349079472	MXPFZVBOBZDHOP-AWEZNQCLSA-N	279.336	1.655	10	20	CDCD	
CC[C@H](C(=O)O)C(=O)N1CCOc2cc(N(C)C)ccc21	1609886555	ASKJRACDCSMTCY-NSHDSACASA-N	292.335	1.589	10	20	CDCD	
CC[C@H]1NCC[C@@H]1NC(=O)NCc1c(O)cccc1F	1578238944	MKWPQDOMXTVFOM-NEPJUHHUSA-N	281.331	1.471	10	20	CDCD	
CN1CC[C@@H](CSc2ncc(C(=O)O)s2)C1	1598583570	IODSSSGLHWQOND-SSDOTTSWSA-N	258.368	1.885	10	20	CDCD	
CN(C[C@H](O)[C@@H]1CCCO1)c1ccc(OCC(=O)O)cc1	1777049208	XAMYBZKUGLBLDG-KBPBESRZSA-N	295.335	1.126	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@H]2C[C@H](N)C2(C)C)cc1	876713829	UJCBKEBFFHXGJF-KGLIPLIRSA-N	275.396	1.742	10	20	CDCD	
Nc1ccc(CC(=O)N2CCN(CC(F)F)CC2)cc1	166383822	LFASFENGNVMXIS-UHFFFAOYSA-N	283.322	1.221	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N2CC[C@@](C)(O)C2)cc1	175438699	INEJPRXEMLRTFN-OAHLLOKOSA-N	277.368	1.419	10	20	CDCD	
CNC(=O)CN(C)Cc1cc(Cl)cc(Cl)c1O	132109123	JGHBOKKWQOWFEZ-UHFFFAOYSA-N	277.151	1.877	10	20	CDCD	
COc1cccc(CN2CCN3C(=O)OC[C@H]3C2)c1O	378345775	NGBMLMYEMSPZDP-LLVKDONJSA-N	278.308	1.037	10	20	CDCD	
CN(C)S(=O)(=O)Nc1ccc(O)c(Cl)c1	82879728	BORMWEQGWHUQQD-UHFFFAOYSA-N	250.707	1.264	10	20	CDCD	
CN(C)CCCNC(=O)CSc1nccs1	193655847	DPSASIWBXPVJNM-UHFFFAOYSA-N	259.400	1.303	10	20	CDCD	
Oc1ccc(Cl)cc1CN1C[C@@H]2CNC[C@@H]2C1	90320076	JDOGFVMHDJHUKM-PHIMTYICSA-N	252.745	1.697	10	20	CDCD	
CO[C@H](C)CCNC(=O)NCc1ccccc1O	263725882	BPELEDHODOWZMK-SNVBAGLBSA-N	252.314	1.616	10	20	CDCD	
Cc1cc(O)c(CNC[C@H]2COCCN2)cc1C	530182649	XOVNHOHRDQOPCW-ZDUSSCGKSA-N	250.342	1.087	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2CCCO[C@H](C)C2)c1O	278194998	IMSFCEJQARYUSB-SNVBAGLBSA-N	296.323	1.920	10	20	CDCD	
CN(CC(N)=O)Cc1ccc(N(C)C)cc1C(F)(F)F	279733132	WHHMWMBKGFSVPG-UHFFFAOYSA-N	289.301	1.689	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC[C@@H](O)c2cnn(C)c2)c1	273460907	CQWVZAXEUSOEDU-ZUZCIYMTSA-N	291.351	1.519	10	20	CDCD	
CCOc1cccc(CN2CC[S@@](=O)C[C@@H](C)C2)c1O	277432191	JOKVFPLOPNZTON-FKIZINRSSA-N	297.420	1.991	10	20	CDCD	
Cc1ccc(C(=O)N(C)[C@@H](C)C[S@@](C)=O)c(O)c1O	274524865	PNSROTKYRUJLRB-ZRNGKTOUSA-N	285.365	1.245	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N(CCO)C1CCC1	275965465	KQILUFKPKQYUTD-FNORWQNLSA-N	277.320	1.484	10	20	CDCD	
CCN1C(=O)/C(=C/c2c(C)cnn2C)SC1=S	285471008	RJSXDYHJTRODPK-UITAMQMPSA-N	267.379	1.950	10	20	CDCD	
CC[C@@H]1NCC[C@H]1C(=O)NCc1ccc(N(C)C)c(F)c1	289481548	BXKAPHRGPXDDAA-OCCSQVGLSA-N	293.386	1.896	10	20	CDCD	
CCN(C[C@H](O)C(F)(F)F)C(=O)c1cccc(O)c1O	280531084	RQUXKFFUZTXOEK-VIFPVBQESA-N	293.241	1.483	10	20	CDCD	
CCOc1ccc(O)c(CN2CC(=O)N(CCOC)C2)c1	283018384	MBXYVOZJMPYGNY-UHFFFAOYSA-N	294.351	1.039	10	20	CDCD	
CN(C)c1ccc(CN2CC[C@](C)(C(N)=O)C2)cc1F	280122711	BTSXLPMHMPSCHF-HNNXBMFYSA-N	279.359	1.589	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)N[C@H]2COC[C@@H]2OC)c1	290237411	SIEYAGNIRJMYIO-LQJRIPTKSA-N	295.335	1.243	10	20	CDCD	
CC(C)[C@H](N)CN[C@H](C)c1cc([N+](=O)[O-])ccc1O	817958460	JVUHJPCKSJZMCY-BXKDBHETSA-N	267.329	1.934	10	20	CDCD	
O=C(N[C@H]1CCCSC1)c1c(F)ccc(O)c1O	826652395	CTCQUUCHOQDTEB-ZETCQYMHSA-N	271.313	1.862	10	20	CDCD	
CO[C@@H]1COCC[C@@H]1CNCc1cc([N+](=O)[O-])ccc1O	824709014	MBCZONLIVAJJSV-QMTHXVAHSA-N	296.323	1.442	10	20	CDCD	
CCCN[C@@H](C)C(=O)N[C@@H](C)c1cc(OC)ccc1O	828666246	CHRRNDUBLKDVFQ-QWRGUYRKSA-N	280.368	1.966	10	20	CDCD	
CCN1C[C@H](NCc2cc(Cl)cc(F)c2O)CC1=O	824887432	XLGBLPWPALARSR-SNVBAGLBSA-N	286.734	1.895	10	20	CDCD	
Cc1cc(O)c(CN2CC[C@@H](O)[C@H](CO)C2)cc1Cl	826123030	CQEHHTFZHVFDHN-WCQYABFASA-N	285.771	1.529	10	20	CDCD	
CN1CCCc2cc(CNC(=O)Cc3cnc[nH]3)ccc21	900432201	COPRXKCDWLCICB-UHFFFAOYSA-N	284.363	1.651	10	20	CDCD	
CN(C)c1ccc(CN[C@@]2(CC(=O)O)CCOC2)cc1	901837651	PEXBGMSJYGBNLI-OAHLLOKOSA-N	278.352	1.476	10	20	CDCD	
Cc1cnn(CC(=O)NCc2ccc(N(C)C)cc2C)c1	734406580	WOJBKIMKSFAWGU-UHFFFAOYSA-N	286.379	1.882	10	20	CDCD	
O=S(=O)(Nc1ccc(O)cc1F)N1C[C@H]2CC[C@H]1C2	844660530	QUYFNDNRQRONDA-IUCAKERBSA-N	286.328	1.672	10	20	CDCD	
CNCCCNC(=O)NCc1ccc(N(C)C)cc1C	841826797	JEADRYWUQSRPPL-UHFFFAOYSA-N	278.400	1.470	10	20	CDCD	
Oc1cc2c(cc1CN1CC[C@@H]3NCC[C@@H]3C1)OCO2	843128934	ZRLQEBLDJUZNLA-PWSUYJOCSA-N	276.336	1.305	10	20	CDCD	
C[C@@H](N)CN(Cc1ccccc1O)C[C@H]1CCCO1	843356124	GEEJTWITIMSWMS-TZMCWYRMSA-N	264.369	1.720	10	20	CDCD	
CCN1C[C@H](CNCc2cccc(C)c2O)CC1=O	846098162	ZVLAAHLHAKROFM-LBPRGKRZSA-N	262.353	1.659	10	20	CDCD	
C[C@@H](C(=O)N(CC(=O)O)Cc1ccccc1O)C1CC1	911493303	LRWLLBCJQNFOSU-SNVBAGLBSA-N	277.320	1.852	10	20	CDCD	
C[C@H]1CCNC[C@@H]1NCc1ccc(N2CCOCC2)cc1	841059232	NQUDPRAMTGFBHB-YOEHRIQHSA-N	289.423	1.611	10	20	CDCD	
CN(C)CCCNC(=S)NCCc1ccc(O)c(O)c1	916546088	FUFVJCRRMUQTCS-UHFFFAOYSA-N	297.424	1.056	10	20	CDCD	
C[C@@H](CCCN)NCc1cc2c(cc1O)OCO2	841079547	JONHOVOUGYGGDJ-VIFPVBQESA-N	252.314	1.338	10	20	CDCD	
CCc1cccc(CN2CCN(C)C(=O)[C@@H]2C)c1O	848904269	OSSOWJRPWXHMRI-NSHDSACASA-N	262.353	1.617	10	20	CDCD	
CN(C)C(=O)[C@H]1CCN(Cc2cc3c(cc2O)OCO3)C1	840177328	ILDLYUZDWNKUMU-JTQLQIEISA-N	292.335	1.031	10	20	CDCD	
COC(=O)[C@H]1CNCCCN1Cc1cccc(C)c1O	843122405	CAMYJBJHQJSKSJ-CYBMUJFWSA-N	278.352	1.038	10	20	CDCD	
C[C@@H](NCCS(C)(=O)=O)c1ccc(Cl)cc1O	841747241	OZXUYQCDZSZJJW-MRVPVSSYSA-N	277.773	1.741	10	20	CDCD	
CC(C)=CCOC(=O)c1cc(NS(C)(=O)=O)ccc1O	920636772	JMBXSHIBASVHER-UHFFFAOYSA-N	299.348	1.887	10	20	CDCD	
CCN(C)c1ccc(CN2C[C@@H](C)O[C@@H](C(=O)O)C2)cc1	846291981	WOJFNLJYSZZJCY-IUODEOHRSA-N	292.379	1.817	10	20	CDCD	
CC[C@@H](N)CNC(=O)NCc1ccc(N(C)C)c(F)c1	841758910	DNLYHPMCRHEVID-LLVKDONJSA-N	282.363	1.428	10	20	CDCD	
C[C@@H]1C[C@@H](NCc2ccc(N3CCC(O)CC3)cc2)CO1	850406935	ZLXLQPWSSBVSGD-UKRRQHHQSA-N	290.407	1.915	10	20	CDCD	
CO[C@@H](C)c1noc(COC(=O)c2cccc(O)c2O)n1	758572319	KGPNTWRLGIMHTQ-ZETCQYMHSA-N	294.263	1.545	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](C(=O)O)C1CC1	852943101	QBRYOHUNVNVSIR-AWEZNQCLSA-N	290.363	1.822	10	20	CDCD	
O=C(NCc1ccccc1O)Nc1cnns1	755348910	KUICTFFMTOPOKB-UHFFFAOYSA-N	250.283	1.565	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)C2CCN(C)CC2)c1	862758504	ALPTXVNDUKEYSX-UHFFFAOYSA-N	262.353	1.659	10	20	CDCD	
CCn1ncc(C(=O)NCc2cccc(OC)c2O)c1C	866764968	YSZYCFFFDLILBA-UHFFFAOYSA-N	289.335	1.856	10	20	CDCD	
CC1(O)CN(Cc2ccc(Br)cc2O)C1	877581293	VIXLUIUVSOZNNZ-UHFFFAOYSA-N	272.142	1.721	10	20	CDCD	
COc1cc(O)c(CNCc2cc(C)on2)cc1OC	776058111	YRELXFDSOAGVMV-UHFFFAOYSA-N	278.308	1.996	10	20	CDCD	
C[C@@H]1C[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2)CCN1C	779526099	VJNJURWILGXEGA-CBHWHFHUSA-N	290.363	1.710	10	20	CDCD	
COCCN(C)CCCNCc1c(C)cccc1O	876928379	BPJHORIXHFUDDW-UHFFFAOYSA-N	266.385	1.759	10	20	CDCD	
CC1(C)OC[C@@H](CNC(=O)/C=C\c2ccc(O)c(O)c2)O1	779533583	YWJZKEGCKMSFRS-VLWUPBBWSA-N	293.319	1.379	10	20	CDCD	
C[C@H](O)[C@@H]1CCCN(C(=O)/C=C\c2ccc(O)c(O)c2)C1	779485332	JUIDOEFCODLLAC-PDCNKGEESA-N	291.347	1.730	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2cnc(N(C)C)cn2)cc1	770470001	NKVJDDBJVXQEHP-UHFFFAOYSA-N	299.378	1.539	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N2CCC[C@H]2C(=O)O)cc1	780351199	UWTLEIWARBEKTP-ZDUSSCGKSA-N	291.351	1.511	10	20	CDCD	
COC(=O)[C@H](CC(C)C)NC(=O)c1cc(O)cs1	881747933	SDFHFWUUVNCARM-VIFPVBQESA-N	271.338	1.771	10	20	CDCD	
COc1cc(C)cc(CN[C@H](C)C[S@](C)=O)c1O	894443899	HVFYAJQKWAMBQS-MGNBDDOMSA-N	271.382	1.566	10	20	CDCD	
COC[C@@H]1CN(Cc2c(O)cccc2OC)C[C@@H](C)O1	784668623	SBQMTUYXAZESGX-NEPJUHHUSA-N	281.352	1.637	10	20	CDCD	
O=C(NC[C@@H]1CCCS1)c1c(F)ccc(O)c1O	789992073	ZCBBSBLDJKIBHF-ZETCQYMHSA-N	271.313	1.862	10	20	CDCD	
COC(=O)[C@@H]1CCN(C(=O)c2cccc(O)c2O)[C@@H]1C	787499849	AZWUZMMEODKNCX-RKDXNWHRSA-N	279.292	1.121	10	20	CDCD	
C[C@@H]1[C@@H](C)N(Cc2ccccc2O)[C@H](C)C(=O)N1C	895923326	WQDSXNUJGWGSAD-IJLUTSLNSA-N	262.353	1.832	10	20	CDCD	
CC(C)OC[C@H](CO)N(C)Cc1cc(F)cc(F)c1O	894782609	MOHJSAJESHINJB-LBPRGKRZSA-N	289.322	1.888	10	20	CDCD	
C[C@@H](O)C[C@@H](C)CNC(=O)c1cccc(O)c1O	187156540	BQZZUFFZUXAHOL-RKDXNWHRSA-N	253.298	1.235	10	20	CDCD	
O=C(Nc1ccnn1CC1CC1)c1cccc(O)c1O	790893838	AIAPROJQDOEZFU-UHFFFAOYSA-N	273.292	1.957	10	20	CDCD	
OCCn1ccc(NCc2c(O)ccc(Cl)c2F)n1	790976820	LOYBDTXAMCWLSS-UHFFFAOYSA-N	285.706	1.986	10	20	CDCD	
C[C@H]1CN(C(=O)c2cccc(O)c2O)[C@H](C)CN1C	790912156	YVYHTNQCEAVULC-VHSXEESVSA-N	264.325	1.262	10	20	CDCD	
CCn1ncnc1CNCc1cc(F)ccc1O	793343474	MQMVPHJSQDAWCO-UHFFFAOYSA-N	250.277	1.433	10	20	CDCD	
C[C@H](CN)CNCc1ccc(N2CCN(C)CC2)c(F)c1	1325272745	MUQSSWIAPIMJPD-CYBMUJFWSA-N	294.418	1.262	10	20	CDCD	
Nc1ccc(CNC(=O)N2CCSC[C@@H]2CCO)cc1	1335724711	JDJONFWQWAXSPI-ZDUSSCGKSA-N	295.408	1.278	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CCN[C@H](C)C2)c1	1341721160	JGJCPOROZDPZMC-IJLUTSLNSA-N	292.379	1.966	10	20	CDCD	
O=C(NCc1c(O)cccc1F)[C@@H]1CCCCN1	1358167278	FVFCELPKKGHHNQ-NSHDSACASA-N	252.289	1.290	10	20	CDCD	
COc1cc(C)c(CNC[C@@H](C)C(=O)O)c(O)c1	1604695361	PJUQHHDOFMHHGL-SECBINFHSA-N	253.298	1.520	10	20	CDCD	
CCc1cccc(CN2CCN(C)C[C@H](C(=O)O)C2)c1O	1605829092	YKJKKFQLKCYWQT-AWEZNQCLSA-N	292.379	1.403	10	20	CDCD	
C[C@H](NCc1ncn(C)n1)c1cc(C(=O)O)ccc1O	1609779433	KXQKYENACKGUJV-QMMMGPOBSA-N	276.296	1.070	10	20	CDCD	
O=C(C[C@@H]1CCCN1)NCc1cccc(Cl)c1O	1580505665	IXKGKOHBTLARQY-JTQLQIEISA-N	268.744	1.804	10	20	CDCD	
CCCOc1ccc(CN[C@](C)(CO)C(=O)O)cc1C	1595960601	LFRZNNWLOQRLHW-OAHLLOKOSA-N	281.352	1.709	10	20	CDCD	
COc1ccc(O)c([C@@H](C)N=c2cc[nH]c(C(=O)O)n2)c1	1599598473	NRURUQWWKZHZSU-MRVPVSSYSA-N	289.291	1.484	10	20	CDCD	
CN(C)c1cc(F)c(CN2CC(C)(C(=O)O)C2)cc1F	1598306166	TXPDBFPSEQXSAS-UHFFFAOYSA-N	284.306	1.937	10	20	CDCD	
CO[C@H](C)CCN[C@@H](C)c1cccc(-c2nn[nH]n2)c1O	1591322425	QNUGKYYCWOSAJH-ZJUUUORDSA-N	291.355	1.648	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)CN)cc1F	167742841	AHMHBKJLAIIMTG-UHFFFAOYSA-N	253.321	1.247	10	20	CDCD	
C[C@@H]1CCN[C@@H](C(=O)NCc2ccc(N(C)C)cc2)C1	126920027	QASAFGSDUBTUJW-IUODEOHRSA-N	275.396	1.757	10	20	CDCD	
CCCn1nccc1C(=O)NCc1ccc(N)cc1	850711450	NGJUQKMIVIYBMI-UHFFFAOYSA-N	258.325	1.805	10	20	CDCD	
Cc1ccc(CNCCC(=O)N2CCOCC2)c(O)c1	876953834	CLVZTLGUNQRYFZ-UHFFFAOYSA-N	278.352	1.039	10	20	CDCD	
Cc1cccc(O)c1CNCC1(S(C)(=O)=O)CCC1	877489903	XZFSVZAQIQOBLD-UHFFFAOYSA-N	283.393	1.758	10	20	CDCD	
Cc1cc(NS(=O)(=O)c2cncc(C#N)c2)ccc1O	384005046	LUIIHVJNCZNNFI-UHFFFAOYSA-N	289.316	1.768	10	20	CDCD	
CCN(CC)c1ccc(CNCc2nnn(C)n2)cc1	398103623	UPPXDBLMOGLFCI-UHFFFAOYSA-N	274.372	1.346	10	20	CDCD	
CCCCS(=O)(=O)NCCc1ccc(N)cc1	32109181	KBKHVYCQPSJWQW-UHFFFAOYSA-N	256.371	1.531	10	20	CDCD	
COCCN(CC(=O)OC)Cc1c(O)cccc1Cl	126453080	UTHCSNVHMAKSOU-UHFFFAOYSA-N	287.743	1.667	10	20	CDCD	
C[C@H](C(=O)N1CCOc2cc(N(C)C)ccc21)[C@@H](C)N	192124447	DFQBCRJBBXOKLG-WDEREUQCSA-N	277.368	1.461	10	20	CDCD	
CN1C[C@H](NCc2ccc(N(C)C)c(F)c2)CC1=O	264982292	UWVNMMUZJMFCMU-LLVKDONJSA-N	265.332	1.212	10	20	CDCD	
CC[C@@H](NC[C@@H]1COCCN1)c1ccccc1O	530227800	VWEMXEUIVAHANG-DGCLKSJQSA-N	250.342	1.421	10	20	CDCD	
Cc1cc(C(=O)N2CC(O)C2)c(C)n1-c1ccccc1	268388384	BYIRJFRPCDQANP-UHFFFAOYSA-N	270.332	1.911	10	20	CDCD	
C[C@H](N[C@H](C)CCO)c1ccc(N2CCOCC2)cc1	269011200	MXZOMBMMPKSTRY-KGLIPLIRSA-N	278.396	1.945	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)NCC[C@H](C)O)c1	273556436	HBNOAYJQEWGVSI-VHSXEESVSA-N	267.325	1.600	10	20	CDCD	
CC[C@@H](NCC[C@@H](O)COC)c1ccc(F)cc1O	286342982	YYHGNAPSVHXREM-DGCLKSJQSA-N	271.332	1.969	10	20	CDCD	
CCn1c(SCC(=O)C(C)=O)nnc1-c1ccco1	288944903	RVWHMBKGJGFOOE-UHFFFAOYSA-N	279.321	1.808	10	20	CDCD	
COC[C@@]1(C)CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1	296394683	IZSOTFIWEMMVED-NBUZRDOWSA-N	291.347	1.996	10	20	CDCD	
Cc1ccc(O)c(CNC[C@H]2CC[C@@H](CO)O2)c1	292478418	AOYAUVCVYAJGCJ-OLZOCXBDSA-N	251.326	1.330	10	20	CDCD	
Cc1nn(C)cc1[C@@H](C)NC(=O)c1c(F)ccc(O)c1O	295059883	KRRHVLWXDMMAJA-SSDOTTSWSA-N	293.298	1.770	10	20	CDCD	
CCCOc1ccc(CN[C@H]2CCCNC2=O)c(O)c1	295036566	MFBTYUZDGWCBIH-ZDUSSCGKSA-N	278.352	1.549	10	20	CDCD	
CCOC[C@H](C)CS(=O)(=O)NCc1ccccc1O	295743804	WSJZWWXUZXBTCZ-NSHDSACASA-N	287.381	1.484	10	20	CDCD	
COC1CCN(c2ccc(CN3CC[C@H](O)C3)cc2)CC1	295016994	UCCLLRPUDNKHIK-INIZCTEOSA-N	290.407	1.868	10	20	CDCD	
CNC(=O)[C@H](CCSC)NC(=O)c1cc(O)cs1	807903921	KIOIVGDQVFUDAI-QMMMGPOBSA-N	288.394	1.051	10	20	CDCD	
COC[C@@H](O)CNCc1ccc2ccccc2c1O	816601117	SAMWOJIXXFOVOQ-ZDUSSCGKSA-N	261.321	1.642	10	20	CDCD	
OCC1(O)CCN(Cc2cc(Cl)ccc2O)CC1	827147526	SPLSXSQXSVLKLN-UHFFFAOYSA-N	271.744	1.365	10	20	CDCD	
O=C(CCCC(=O)C1CC1)NCCc1ccc(O)c(O)c1	827085033	JSGXKZYRWJWUHE-UHFFFAOYSA-N	291.347	1.906	10	20	CDCD	
CCN(CC)C(=O)COC(=O)c1cc(O)cs1	731911003	YKBIHXSVKCNFBZ-UHFFFAOYSA-N	257.311	1.479	10	20	CDCD	
CC(=O)NC[C@@H]1CCCN(C(=O)c2cc(O)cs2)C1	732278292	GSYMIFCAYDLQMA-JTQLQIEISA-N	282.365	1.442	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@H](C)CC(=O)O)c1	832424441	FAQMALQVJXGUIA-BDAKNGLRSA-N	281.308	1.689	10	20	CDCD	
COCC1(C)CN(Cc2cc3c(cc2O)OCO3)C1	839145810	VPTDKKQJJPEAHD-UHFFFAOYSA-N	265.309	1.589	10	20	CDCD	
CC[C@H]1NCC[C@@H]1C(=O)NCc1ccc(OC)cc1O	832178103	NNVWCFWENQHBDM-QWHCGFSZSA-N	278.352	1.405	10	20	CDCD	
Oc1ccccc1CN[C@@H]1CCN(CC(F)F)C1	841893561	GTGVQGKPTTWOAE-LLVKDONJSA-N	256.296	1.821	10	20	CDCD	
COc1cc(Br)cc(CN(C)CCN)c1O	841100044	SHKNONKYPDQXEW-UHFFFAOYSA-N	289.173	1.554	10	20	CDCD	
CC[C@H](C(=O)O)C(=O)N[C@H](C)c1cc(OC)ccc1O	911343657	RZHNBJKGRWCXDN-SCZZXKLOSA-N	281.308	1.689	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2C[C@H]2C(=O)O)c1	843328654	JUSVCIQVGNFFQH-AVPPRXQKSA-N	279.292	1.299	10	20	CDCD	
CC[C@H](C(=O)NCc1cc(Cl)ccc1O)C(=O)OC	846474587	VRXOCTAEQUBLBZ-SNVBAGLBSA-N	285.727	1.861	10	20	CDCD	
COCCN1CC[C@H](N[C@@H](C)c2cccc(OC)c2O)C1	846145186	LVGVCPSQQDNOHB-STQMWFEESA-N	294.395	1.772	10	20	CDCD	
CCc1cccc(CNCCS(=O)(=O)CC2CC2)c1O	848899218	LDQCCSOJZKGUCO-UHFFFAOYSA-N	297.420	1.869	10	20	CDCD	
CC1=NO[C@H](C(=O)NCc2ccc(N(C)C)cc2)C1	854271039	VFRZEMFISGDLKT-ZDUSSCGKSA-N	261.325	1.534	10	20	CDCD	
C[C@@H](O)[C@H]1CCCN1C(=O)/C=C/c1ccc(O)c(O)c1	855870225	XEBYSTAQOZUKRY-NPNFKUNOSA-N	277.320	1.483	10	20	CDCD	
CC[C@@H](CN1CCOCC1)NCc1c(O)cccc1OC	922590357	RLPNTBFIELTGJB-ZDUSSCGKSA-N	294.395	1.601	10	20	CDCD	
CCN(C)C(=O)CNC(=O)N[C@H](C)c1ccccc1O	868515995	YZKPOXKHUHZQIL-SNVBAGLBSA-N	279.340	1.231	10	20	CDCD	
C[C@@H]1NC(=O)N(Cc2ccc(N3CC=CC3)cc2)C1=O	761377227	BQTPGFMJJGSEKP-NSHDSACASA-N	271.320	1.503	10	20	CDCD	
O=C(NCc1ccccc1O)c1cncc(N2CCCC2)n1	866755157	IOYLUVFRJZZZFA-UHFFFAOYSA-N	298.346	1.712	10	20	CDCD	
C=CC(=O)N(C)CC(=O)C(=O)CC(C)(C)CC(=O)OCC	935944873	BGVVIKZCLZYMMJ-UHFFFAOYSA-N	297.351	1.139	10	20	CDCD	
COCCN(CC(=O)O)Cc1cc(F)cc(C(C)=O)c1O	769750649	GYAPOVVIBJGQMR-UHFFFAOYSA-N	299.298	1.267	10	20	CDCD	
C[C@H](NC(=O)N[C@@H]1CCOC1)c1ccc(N(C)C)cc1	773414050	LGTNSYVMJUWRST-WCQYABFASA-N	277.368	1.902	10	20	CDCD	
CCOc1cccc(CN2CCSC[C@@H]2CO)c1O	877779894	HOOPUCUPMIWOCL-LBPRGKRZSA-N	283.393	1.701	10	20	CDCD	
CC(C)OC(=O)CCNC(=O)/C=C/c1ccc(O)c(O)c1	779493275	MRALWKZUVHOJLV-GQCTYLIASA-N	293.319	1.569	10	20	CDCD	
C[C@@]1(CNC(=O)/C=C/c2ccc(O)c(O)c2)CCOC1	779519864	FJOFRQIKNAVTBY-UJAVWCLSSA-N	277.320	1.654	10	20	CDCD	
COc1ccc(O)c([C@H](C)NCc2nnc3n2CCC3)c1	775371960	WCQAPTQSCQSDSC-JTQLQIEISA-N	288.351	1.789	10	20	CDCD	
CO[C@@H]1COC[C@@H]1N[C@@H](C)c1c(O)cccc1F	886625265	MHFYURDNVQAAGB-PTOFAABTSA-N	255.289	1.596	10	20	CDCD	
CCOc1cccc(CN2CC(=O)N(C)C[C@@H]2C)c1O	783729060	LVOVRARILYGKPB-NSHDSACASA-N	278.352	1.453	10	20	CDCD	
COc1cc(C)cc(CN(C)CC[C@@H](C)O)c1O	894034656	UDAZHJHTPJTQRF-LLVKDONJSA-N	253.342	1.912	10	20	CDCD	
COC[C@@](C)(CO)NCc1cc(C)cc(OC)c1O	894393160	IAVMMFSDPKOELI-CQSZACIVSA-N	269.341	1.196	10	20	CDCD	
COc1cc(C)cc(CN2C[C@@H](CO)OC(C)(C)C2)c1O	895033034	FMSLSDUCSNKXHS-ZDUSSCGKSA-N	295.379	1.681	10	20	CDCD	
COC[C@@H](O)CCN[C@@H](C)c1cc(C)ccc1O	186202521	HJENLGGFOLCSLP-RYUDHWBXSA-N	253.342	1.749	10	20	CDCD	
C[C@@H](CC(=O)O)CC(=O)NCc1ccc(N(C)C)cc1	61835314	SZAOEASDLUKJDI-LLVKDONJSA-N	278.352	1.870	10	20	CDCD	
Cc1c[nH]nc1C(=O)NCc1ccc(N(C)C)c(F)c1	799412865	GRBXNFLURRYSSO-UHFFFAOYSA-N	276.315	1.853	10	20	CDCD	
Cc1cnccc1CCNC(=O)c1cccc(O)c1O	790902809	RILPWXXJEOYLFK-UHFFFAOYSA-N	272.304	1.774	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2C[C@@H]3C[C@@]3(CO)C2)c1O	782626285	ZVKYZWCPMMFPGP-NHYWBVRUSA-N	279.311	1.548	10	20	CDCD	
Nc1ccc(CNC(=O)NCCOC[C@H]2CCOC2)cc1	1336821062	NEWBXEGYSRHHML-ZDUSSCGKSA-N	293.367	1.121	10	20	CDCD	
Nc1ccc(CNC(=O)NC[C@H]2CCC[C@H](O)C2)cc1	1338793767	UYNPONMROJJVQL-JSGCOSHPSA-N	277.368	1.619	10	20	CDCD	
COc1ccc(CN[C@@H](Cc2cnc[nH]2)C(=O)O)cc1C	1339254125	HLHMCFBHGBDNLT-ZDUSSCGKSA-N	289.335	1.512	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@H](O)c2ccccn2)cc1	1335491272	JRWYJIQRSVVZQW-OAHLLOKOSA-N	285.347	1.497	10	20	CDCD	
Nc1ccc(CNC(=O)[C@@H]2C[C@]23CCCNC3)cc1	1342701447	YSUDDKPLMNJURM-ZFWWWQNUSA-N	259.353	1.275	10	20	CDCD	
CC[C@H](CO)c1nnc(N(C)Cc2ccccc2O)n1C	1519767328	LCNFKUQPGIUJEB-LLVKDONJSA-N	290.367	1.643	10	20	CDCD	
C[C@@H](NC(=O)c1cnn(CCO)c1)c1ccccc1O	1520450189	GWNUJUYGNYXXOP-SNVBAGLBSA-N	275.308	1.072	10	20	CDCD	
O=C(O)C[C@H]1COCCN1Cc1cc(F)c(F)cc1O	1608702138	BFRHWTZAOUPHEN-VIFPVBQESA-N	287.262	1.346	10	20	CDCD	
O=C(O)CC1(NC(=O)/C=C\c2ccc(O)c(O)c2)CC1	1608682973	UIZFDWJAFILKLA-RQOWECAXSA-N	277.276	1.235	10	20	CDCD	
CCN(C)c1ccc(CN[C@@H](C(=O)O)[C@@H](C)O)c(C)c1	1776856058	BWEGPQQYGGLVIE-BXUZGUMPSA-N	280.368	1.375	10	20	CDCD	
Nc1ccc(CC(=O)NCc2ccc3c(c2)OCO3)cc1	20185663	ROZQFWDRRWCDCB-UHFFFAOYSA-N	284.315	1.856	10	20	CDCD	
CC(C)N(CCNC(=O)c1cccc(O)c1O)C(C)C	126199270	HIOTUHTUQQPKFF-UHFFFAOYSA-N	280.368	1.946	10	20	CDCD	
Cc1ccc(CNC[C@H]2CCCS(=O)(=O)C2)c(O)c1	877532396	FRCZTOAOKAQKRH-GFCCVEGCSA-N	283.393	1.615	10	20	CDCD	
COC[C@H](O)CN[C@@H]1C[C@H](C)c2c(C)ccc(O)c21	250984833	RFABNIUYMMAQQK-QJPTWQEYSA-N	265.353	1.846	10	20	CDCD	
COCC[C@@H](CO)N[C@H](C)c1ccc(N(C)C)cc1	281524106	HVBIELBKWZEIII-OCCSQVGLSA-N	266.385	1.801	10	20	CDCD	
C[C@H]1CN(Cc2cc(F)ccc2O)C[C@H](C)S1(=O)=O	290903243	MGGDOFHWVMQXER-UWVGGRQHSA-N	287.356	1.539	10	20	CDCD	
CNC(=O)C1CCN(Cc2cc(F)ccc2O)CC1	179894910	HAZXBPBRBLBXFQ-UHFFFAOYSA-N	266.316	1.489	10	20	CDCD	
COCC[C@@](C)(O)CN[C@@H](C)c1cc(OC)ccc1O	185467220	KUIUMFHEWBPUMN-XHDPSFHLSA-N	283.368	1.839	10	20	CDCD	
CCOC[C@H]1CN(Cc2cccc(C)c2O)CCO1	529666985	PVAOAUXHQNLSPO-CQSZACIVSA-N	265.353	1.938	10	20	CDCD	
CON1CCC(N[C@H]2CCc3cccc(O)c32)CC1	709372973	FMWODMJPFDDIJA-ZDUSSCGKSA-N	262.353	1.995	10	20	CDCD	
CN(C)C(=O)[C@@H]1CCCN1Cc1cccc(F)c1O	272267446	KVBIPEUHYPQHDQ-LBPRGKRZSA-N	266.316	1.584	10	20	CDCD	
C[C@H]1COCCN1C(=O)NCc1ccc(N(C)C)cc1	31731274	LCZSSJGHXOAIPC-LBPRGKRZSA-N	277.368	1.683	10	20	CDCD	
O[C@@H](CNCc1ccc(N2CCOCC2)cc1)C1CCC1	316737793	KIYAVPNOJVSGEM-KRWDZBQOSA-N	290.407	1.774	10	20	CDCD	
CCN(Cc1cccc(C)c1O)[C@H](C)CS(C)(=O)=O	180243966	IZXOPVXHNNFNNG-GFCCVEGCSA-N	285.409	1.956	10	20	CDCD	
C[C@@]1(C(=O)NCCCSc2nccs2)CCNC1	237495065	XAFSKBPQRXFZTN-GFCCVEGCSA-N	285.438	1.741	10	20	CDCD	
Oc1ccccc1CN1CCOC2(CCOCC2)C1	179585568	WVONZQXQKMRQRI-UHFFFAOYSA-N	263.337	1.774	10	20	CDCD	
CN1CCCc2cc(CNC(=O)[C@H]3CCCCN3)ccc21	237129055	SXWKEYYQZFPCSX-OAHLLOKOSA-N	287.407	1.827	10	20	CDCD	
C[C@@H](NCCn1cncn1)c1ccc(F)c(F)c1O	276925800	NEWAUSIPYOHBDW-MRVPVSSYSA-N	268.267	1.613	10	20	CDCD	
CC[C@H](OC)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	274726048	BBMLSAYYRQUATE-ZANVPECISA-N	267.325	1.570	10	20	CDCD	
CCOC(=O)[C@@](C)(O)CN(C)Cc1ccccc1O	274660480	PHNNBENVYYSOFI-AWEZNQCLSA-N	267.325	1.138	10	20	CDCD	
C[C@@H](N[C@@H]1CC(=O)N(C)C1)c1cc([N+](=O)[O-])ccc1O	273596441	QUWWAZKRBJKKTG-RKDXNWHRSA-N	279.296	1.182	10	20	CDCD	
COc1cccc(CNC(=O)c2cc(OC)n(C)n2)c1O	274989978	USPMLTYZPWSUPF-UHFFFAOYSA-N	291.307	1.073	10	20	CDCD	
COC(=O)[C@]1(F)CCN(Cc2cc(OC)ccc2O)C1	271866232	RERMYLBQHWGOSI-AWEZNQCLSA-N	283.299	1.488	10	20	CDCD	
COC1(CNC(=O)c2c(F)ccc(O)c2O)CCC1	276591369	QBVFPICHRZKWDH-UHFFFAOYSA-N	269.272	1.536	10	20	CDCD	
Cc1nnc(NC(=O)c2cc(O)cs2)n1C1CC1	807564403	RVLSYWDMSJFKID-UHFFFAOYSA-N	264.310	1.941	10	20	CDCD	
C[C@@H](NCc1ccc(N2CCOCC2)cc1)[C@@H]1CCCN1	817895837	WVIWSHHLLDLPOF-PBHICJAKSA-N	289.423	1.753	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)NCCC(=O)O	818829625	CPVQGQFOENFQSU-UHFFFAOYSA-N	279.340	1.335	10	20	CDCD	
COc1ccc(CNC(=O)Cc2cnn(C)c2C)c(O)c1	816550981	KHTHXNMKQSFBTE-UHFFFAOYSA-N	289.335	1.302	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cncnc1	819756369	VEQYJDPUJAXZAE-UHFFFAOYSA-N	278.308	1.598	10	20	CDCD	
COC[C@H](OC)C(=O)NCCCSc1nccs1	827474964	QAQOMTVJMFSWBU-VIFPVBQESA-N	290.410	1.403	10	20	CDCD	
C[C@H](CN)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	829002873	GFPVHGRORRFVOC-TZMCWYRMSA-N	292.379	1.495	10	20	CDCD	
O=S(=O)(Nc1cc(F)c(O)cc1Cl)N1CCCC1	901963646	XORGPHKNOUUNNR-UHFFFAOYSA-N	294.735	1.937	10	20	CDCD	
COC(=O)CN(C(=O)/C=C\c1cnn(C)c1)c1ccccc1	736034753	KMKJQCZZLIFACQ-HJWRWDBZSA-N	299.330	1.640	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@H]2C[C@H]3CC(=O)[C@@H]2C3)cc1	837316309	JCNYPADDWIKWMS-NWANDNLSSA-N	286.375	1.984	10	20	CDCD	
CC[C@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)[C@@H](C)O	838030462	ZVAKXBIEISDBHT-MFKMUULPSA-N	297.374	1.850	10	20	CDCD	
CS(=O)(=O)c1ccc(/C=C2\SC(=S)NC2=O)cc1	918155876	XUQIQFQEBXJLOO-TWGQIWQCSA-N	299.398	1.579	10	20	CDCD	
CN1CC[C@H]2[C@@H](CCCN2C(=O)Cc2ccc(N)cc2)C1	843490984	PGOZQDRVRFMKJZ-HOCLYGCPSA-N	287.407	1.754	10	20	CDCD	
CCONC(=O)CNCc1ccc(N(CC)CC)cc1	846091528	QNJJFDUTIMXXQJ-UHFFFAOYSA-N	279.384	1.690	10	20	CDCD	
CNCCCNC(=O)NCc1ccc(N2CCCC2)cc1	841710229	UQAIJVBMMOFYCW-UHFFFAOYSA-N	290.411	1.696	10	20	CDCD	
C[C@@H](Cc1cnn(C)c1)C(=O)NCc1ccc(O)cc1O	910945765	YCNGLHNCLOWVIK-JTQLQIEISA-N	289.335	1.326	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H]2CO[C@H](C)C2)c1O	843431797	DSYVIHIFNVQZQG-SCZZXKLOSA-N	282.296	1.576	10	20	CDCD	
O=C(NCCCOC[C@H]1CCOC1)c1cc(O)cs1	740928994	WLRIOBYOJLZRMN-SNVBAGLBSA-N	285.365	1.627	10	20	CDCD	
Cc1cc(CN2CCCO[C@H](CN)C2)ccc1N(C)C	923378987	MRSBZJIIABIGHE-OAHLLOKOSA-N	277.412	1.611	10	20	CDCD	
CCCN1CC[C@H](NC(=O)c2cc(OC)nc(OC)c2)C1	1015104122	QHHGKISLKBLKLZ-LBPRGKRZSA-N	293.367	1.313	10	20	CDCD	
O=C(OC[C@H]1CCCCO1)c1cccc(O)c1O	758573404	ROYIPDISEYYAME-SECBINFHSA-N	252.266	1.824	10	20	CDCD	
C[C@@H]1CC[C@@H](COC(=O)c2cccc(O)c2O)O1	758557462	BAJSBPIQLNAKKD-BDAKNGLRSA-N	252.266	1.822	10	20	CDCD	
Cc1ccc(C(=O)N2CC[C@@H](N(C)C)[C@@H]2C)c(O)c1O	854651950	FHFORBAAPKESIM-CMPLNLGQSA-N	278.352	1.571	10	20	CDCD	
CCCN1CC[C@@H](NC(=O)c2ccc(C)c(O)c2O)C1	856073468	QWYOVTANPDXSMA-LLVKDONJSA-N	278.352	1.620	10	20	CDCD	
COc1ccc2c(c1)CCCCN2Cc1nc(=O)n(C)[nH]1	754080289	DEBMBYPOWIPCSN-UHFFFAOYSA-N	288.351	1.460	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H](CC)CO	935945095	KLTQETYVKPTMSJ-SNVBAGLBSA-N	272.341	1.513	10	20	CDCD	
C[C@@H]1NC(=O)N([C@H](C)c2ccc(N(C)C)cc2)C1=O	761576794	NSSZONOTXDCBHT-VHSXEESVSA-N	261.325	1.754	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2C[C@@H](O)C[C@]2(C)CO)c1O	878983750	QFASGOHJJRSPPA-SWLSCSKDSA-N	297.326	1.052	10	20	CDCD	
CCOC(=O)[C@H](C)NCc1ccc([N+](=O)[O-])c(OC)c1O	775101412	VRUJRKNRUNSNBX-QMMMGPOBSA-N	298.295	1.350	10	20	CDCD	
C[C@@H]1CN(Cc2ccc(N3CCC(O)CC3)cc2)CCO1	876555736	FFSTZHBEHDXLPC-CQSZACIVSA-N	290.407	1.868	10	20	CDCD	
COCCNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1	774017561	PYRWGYCRZLSGBD-NSHDSACASA-N	265.357	1.759	10	20	CDCD	
CCN(C)c1ccc(CN2CCOC[C@H]2C(=O)OC)cc1	773790249	QULIRDKQUJMDEM-HNNXBMFYSA-N	292.379	1.517	10	20	CDCD	
COCc1nc(C(=O)N(C)Cc2ccccc2O)no1	775374069	VNDHJXTZYAVJHV-UHFFFAOYSA-N	277.280	1.194	10	20	CDCD	
COC(=O)[C@H]1CCN(C(=O)c2cccc(O)c2O)[C@H]1C	787499844	AZWUZMMEODKNCX-IUCAKERBSA-N	279.292	1.121	10	20	CDCD	
COC(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1	787327447	MUERXVMMVIXRQK-UHFFFAOYSA-N	291.351	1.211	10	20	CDCD	
COC[C@H](NCc1ccc(N(C)C)c(F)c1)C(=O)OC	789577559	VYJDKYCYRAHYKC-LBPRGKRZSA-N	284.331	1.169	10	20	CDCD	
COc1cc(C)cc(CNCC2(S(C)(=O)=O)CC2)c1O	894610907	GXOSNYSJPDNISD-UHFFFAOYSA-N	299.392	1.376	10	20	CDCD	
O=S1(=O)CCC[C@@H]1CNCc1cc(F)cc(F)c1O	708558375	GCPRCBRVJOOVNB-SNVBAGLBSA-N	291.319	1.337	10	20	CDCD	
COc1cccc(CNC(=O)C2=CCOCC2)c1O	793690648	WYMKZYCJNPSYFD-UHFFFAOYSA-N	263.293	1.364	10	20	CDCD	
COc1ccc(O)c([C@@H](C)N[C@@H]2CCN(C3CC3)C2=O)c1	1320609732	JXVMIYVTHZZUTC-QMTHXVAHSA-N	290.363	1.815	10	20	CDCD	
CNC[C@@H](C)CNC(=O)N[C@H](C)c1ccccc1O	1337942291	ILIVTADQVDKBEH-GHMZBOCLSA-N	265.357	1.608	10	20	CDCD	
CN(Cc1cnn(C)c1)C(=O)NCc1ccc(N)cc1	1336290767	RFAUZWMWENVLAT-UHFFFAOYSA-N	273.340	1.344	10	20	CDCD	
CCOC(C)(C)C(=O)NCc1cccc(O)c1O	1528770915	GHRVLQXUTIAVCO-UHFFFAOYSA-N	253.298	1.529	10	20	CDCD	
CN(C(=O)NCCc1ccc(N)cc1)[C@H]1C[C@@H](C(=O)O)C1	1605971885	WGZQUSFJPWTSOO-BJHJDKERSA-N	291.351	1.316	10	20	CDCD	
O=C(O)C1(O)CN(Cc2cc(-c3ccccc3)ccc2O)C1	1608579619	ZOPZZNYUBGOXRP-UHFFFAOYSA-N	299.326	1.691	10	20	CDCD	
C[C@H](CC(=O)O)CC(=O)NCc1cccc(O)c1O	1604106775	RSISDTSPDHAAFJ-QMMMGPOBSA-N	267.281	1.215	10	20	CDCD	
C[C@@H](NC[C@H]1CCOC1)c1cc(C(=O)O)ccc1O	1604339334	XIHYBTBTSXPLTF-NXEZZACHSA-N	265.309	1.778	10	20	CDCD	
Cn1c(-c2sccc2O)nnc1N1CC[C@H](C(=O)O)C1	1600893624	NQIYKEZKJVXVLX-ZETCQYMHSA-N	294.336	1.160	10	20	CDCD	
CCc1cccc(CN2CCN(CCOC)CC2)c1O	848881715	SXNFTZNCZSGSMO-UHFFFAOYSA-N	278.396	1.719	10	20	CDCD	
COC(=O)CCCN(C)C(=O)Cc1ccc(N)cc1	37813182	VWEYHNHLGNDFFW-UHFFFAOYSA-N	264.325	1.223	10	20	CDCD	
CC(C)[C@@](C)(O)CNCc1cc2c(cc1O)OCO2	171842867	QQBHAHLKVXMVOF-AWEZNQCLSA-N	267.325	1.618	10	20	CDCD	
CC[C@@H]1NCC[C@@H]1C(=O)N(C)Cc1ccccc1O	289744200	VZDKFFYQPKITTE-STQMWFEESA-N	262.353	1.739	10	20	CDCD	
COC[C@@H](O)CCN[C@@H]1CCc2cccc(O)c21	296897367	OSPIYKLEHFFAKG-NWDGAFQWSA-N	251.326	1.367	10	20	CDCD	
COc1cccc(CN(C2CC2)[C@H](C)C(=O)O)c1O	1611066701	VNXLOMBROGNSNJ-SECBINFHSA-N	265.309	1.838	10	20	CDCD	
Oc1ccccc1CNCCN1CCSCC1	226247875	JPBWVKNKQFJBKS-UHFFFAOYSA-N	252.383	1.531	10	20	CDCD	
CCOC(=O)CN1CCOc2cc(N(C)C)ccc21	175026272	IEXVTDRQMGHDLE-UHFFFAOYSA-N	264.325	1.515	10	20	CDCD	
CCOCCN(CC)C(=O)c1cccc(O)c1O	126417887	IZYXCWBLNKPVRD-UHFFFAOYSA-N	253.298	1.596	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)[C@@H]1C[C@@H]1C1CC1	122541805	QACFHSNTSYWLNB-VXGBXAGGSA-N	261.321	1.803	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc[nH]n1	183485602	OVWQQEQPAZOQEB-QMMMGPOBSA-N	261.281	1.182	10	20	CDCD	
COC[C@@H]1CN(Cc2cccc(C)c2O)C[C@H](C)O1	188368082	BNYHKNSPFAAVGT-JSGCOSHPSA-N	265.353	1.936	10	20	CDCD	
CCCN(CCN1CCOCC1)Cc1ccccc1O	264678265	BJLHODICLGGHQL-UHFFFAOYSA-N	278.396	1.936	10	20	CDCD	
Cc1cc(O)c(CN2CCNC(=O)[C@@H]2C(C)C)cc1C	93054845	SBYXWXMNTXPIKG-HNNXBMFYSA-N	276.380	1.965	10	20	CDCD	
C[C@H]1CN(Cc2ccccc2O)CC[S@@](=O)C1	277311889	BPGZPGCGYWZMOT-APPDUMDISA-N	253.367	1.593	10	20	CDCD	
CCN(C)C(=O)[C@@H](C)N[C@@H](C)c1cc([N+](=O)[O-])ccc1O	276698387	VLCVFWWEPMFIGB-VHSXEESVSA-N	295.339	1.818	10	20	CDCD	
COc1cc(O)c(CN[C@@]2(C)CCOC2)cc1OC	271802926	JDRPCWCDUKYDGW-AWEZNQCLSA-N	267.325	1.678	10	20	CDCD	
CO[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(O)c1O	279397755	WFNZXVASAMRRSM-CMPLNLGQSA-N	265.309	1.785	10	20	CDCD	
COCC1(CNC(=O)c2ccc(C)c(O)c2O)CCC1	281951463	CURVSBQDKDEPBG-UHFFFAOYSA-N	279.336	1.953	10	20	CDCD	
CC[C@](C)(OC)C(=O)NCc1cccc(OC)c1O	280785258	TXLDNMNWRIYFIT-AWEZNQCLSA-N	267.325	1.832	10	20	CDCD	
CCCC[C@H](NC(=O)c1cccc(O)c1O)C(=O)OC	280400230	GYZIYICNOLZWEF-JTQLQIEISA-N	281.308	1.559	10	20	CDCD	
COc1ccccc1OCCC(=O)OCC(=O)C(C)=O	808489348	NFMMPOMDQUBIAC-UHFFFAOYSA-N	280.276	1.165	10	20	CDCD	
COCCNCc1c(O)cccc1Br	706821312	BZWKIXGAZVMHKT-UHFFFAOYSA-N	260.131	1.891	10	20	CDCD	
Cc1nc(NC(=O)/C=C/c2ccc(O)c(O)c2)nn1C	817019577	ONEFFUXMYSIAHO-GQCTYLIASA-N	274.280	1.187	10	20	CDCD	
C[C@H](NCCCN1CCNCC1)c1cc(F)cc(F)c1O	817934999	DROVNFVGOQZVJS-NSHDSACASA-N	299.365	1.616	10	20	CDCD	
Oc1cc2c(cc1CNCCCC1(O)CCC1)OCO2	817414114	GALAHDCVXAWORE-UHFFFAOYSA-N	279.336	1.906	10	20	CDCD	
Cc1ccncc1/C=C\C(=O)N1CC(=O)Nc2cnccc21	492536887	QVCWWWYLSQPYPW-IHWYPQMZSA-N	294.314	1.784	10	20	CDCD	
O=C(NCc1ccc(N2CCOCC2)cc1)c1ncc[nH]1	823291283	FAYSRECRJVLESE-UHFFFAOYSA-N	286.335	1.176	10	20	CDCD	
COCC(COC)OC(=O)/C=C\c1ccc(O)c(O)c1	909089919	SLVVGGMQLZJVJB-XQRVVYSFSA-N	282.292	1.316	10	20	CDCD	
Cc1ccncc1/C=C\C(=O)N(C)c1ccn(C)n1	492702711	HOTOZGVWYMVRDF-PLNGDYQASA-N	256.309	1.800	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2CC(O)(C(C)C)C2)c1O	839132613	DXPHBRYOMIIKEX-UHFFFAOYSA-N	296.323	1.512	10	20	CDCD	
O=C(N[C@H]1CCN2CCC[C@@H]2C1)c1cc(O)cs1	732273086	VSZVHHUMSUNDAV-VHSXEESVSA-N	266.366	1.810	10	20	CDCD	
COc1ccc(N(C)CCN(C)C[C@H](C)O)cc1	844401129	HXAUYPBIFQIBSC-LBPRGKRZSA-N	252.358	1.444	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)N(C)CCN)cc1F	841797336	YTGLFEQIHJRMQF-UHFFFAOYSA-N	296.390	1.772	10	20	CDCD	
Nc1ccc(CCNC(=O)[C@@H]2CCc3nccn3C2)cc1	848395221	QXBOSFAIHKSMBG-CYBMUJFWSA-N	284.363	1.387	10	20	CDCD	
CN1CCCN=C1NCc1ccc2c(c1)CCCN2C	848998946	JKENTNGCQPSTAA-UHFFFAOYSA-N	272.396	1.850	10	20	CDCD	
Nc1ccc(CC(=O)N2CCC3(CCNCC3)CC2)cc1	841850346	NBVPCRQPJUDTKK-UHFFFAOYSA-N	287.407	1.804	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H](C)CCCN)c1	842000536	WWUWQMZSRFETEY-WDEREUQCSA-N	295.383	1.888	10	20	CDCD	
COC[C@H](CN[C@H](C)c1cccc(OC)c1O)OC	846166501	XZEMNOQPPUMATP-MNOVXSKESA-N	269.341	1.713	10	20	CDCD	
CN(Cc1cccc(Br)c1O)[C@H]1CCNC1	843049165	HESULECETVKOHB-JTQLQIEISA-N	285.185	1.948	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)c1cc(CO)on1	748027277	JYZRAVGTDRWMKS-UHFFFAOYSA-N	262.265	1.145	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN[C@H](C(N)=O)c1ccccn1	840949579	YMULVCKTUMCWGR-INIZCTEOSA-N	298.390	1.772	10	20	CDCD	
CN(CCCF)C(=O)/C=C/c1ccc(O)c(O)c1	925543363	UMRFWTQSHOVRED-GQCTYLIASA-N	253.273	1.929	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N[C@H]1CCn2cncc2C1	857944112	IXNZWJGTMQRKDU-QQHVMHFCSA-N	299.330	1.439	10	20	CDCD	
CCCCNC(=O)[C@H](C)OC(=O)c1cccc(O)c1O	758561780	MOQDURQYTYVQFW-VIFPVBQESA-N	281.308	1.559	10	20	CDCD	
CN(C)c1cc(F)c(CNC[C@@H]2COCCO2)cc1F	858100943	SZWHDCPRBSQSPK-LLVKDONJSA-N	286.322	1.536	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)N[C@@H]2CC[C@H](C(N)=O)C2)c1	858526327	YZECGGBKQTXILB-CMPLNLGQSA-N	291.351	1.154	10	20	CDCD	
CC1=NO[C@H](CNC(=O)NCc2ccc(N(C)C)cc2)C1	866047991	NPCFZYHADWUEAD-AWEZNQCLSA-N	290.367	1.717	10	20	CDCD	
COCCN(Cc1cc2c(cc1O)OC[C@H]2O)CC(C)C	768441832	OGEBJBRGYOJRPV-OAHLLOKOSA-N	295.379	1.922	10	20	CDCD	
O=C(NCc1ccc(N2CCOCC2)cc1)c1cncnc1	760799548	HSGRQNTWCXVHSH-UHFFFAOYSA-N	298.346	1.243	10	20	CDCD	
COc1ccc(CN[C@H](C)c2ncn(C)n2)c(O)c1OC	1119959946	YWLVJOMMQWLOBK-SECBINFHSA-N	292.339	1.389	10	20	CDCD	
CS(=O)(=O)c1ccc(/C=C2/SC(=O)NC2=O)s1	874929810	QIPAYIATTTXIKU-GQCTYLIASA-N	289.359	1.476	10	20	CDCD	
Cc1cccc(O)c1CN(C)CCN1CCCC1=O	876721722	MCYIUZPEXFCNHW-UHFFFAOYSA-N	262.353	1.755	10	20	CDCD	
COC[C@@H](CNC(=O)N[C@H](C)c1ccccc1O)OC	875474909	IHNFMHMXYIXPQW-GHMZBOCLSA-N	282.340	1.414	10	20	CDCD	
C[C@H]1CO[C@H](CO)CN1Cc1cc(F)ccc1O	779034165	PLBNUSKYTILRCJ-CABZTGNLSA-N	255.289	1.113	10	20	CDCD	
O=C(O)[C@@H]1CC[C@H](NC(=O)N2Cc3cccc(O)c3C2)C1	874404141	BZJWMJBKQOTUKV-KOLCDFICSA-N	290.319	1.671	10	20	CDCD	
Cc1nn(C)cc1CC(=O)N(C)c1ccc(N)cc1	877074388	ILKOUFPRTRKSAO-UHFFFAOYSA-N	258.325	1.516	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)c1c(O)cccc1O	770406826	YFELGSWTXXKPJE-UHFFFAOYSA-N	289.287	1.482	10	20	CDCD	
CCOc1ccc(O)c(CN2CC(=O)N(C)C[C@@H]2C)c1	783730650	UEQSNPGVBPRCAT-NSHDSACASA-N	278.352	1.453	10	20	CDCD	
CC[C@](C)(CO)NC(=O)/C=C\c1ccc(O)c(O)c1	782027267	WPXAIHMZUDSLQL-BRLPQQTGSA-N	265.309	1.388	10	20	CDCD	
COc1ccc(CNCC2(N(C)C)CCC2)c(O)c1OC	893887130	WPAGQJPMXRBDNN-UHFFFAOYSA-N	294.395	1.983	10	20	CDCD	
COC(=O)[C@@H]1CCCN1Cc1cc(F)cc(F)c1O	893918251	IZFQMSKWNOQRSR-NSHDSACASA-N	271.263	1.808	10	20	CDCD	
CN(Cc1cc(F)cc(F)c1O)C[C@@H](O)C1CC1	894776576	IDIKQCMFPVARMO-GFCCVEGCSA-N	257.280	1.873	10	20	CDCD	
C[C@@H]1CN(Cc2c(O)ccc(Cl)c2F)C[C@@H](CO)O1	792181209	YAAIRAULMCDDJK-BDAKNGLRSA-N	289.734	1.766	10	20	CDCD	
CO[C@]1(C)CCCN(Cc2cc3c(cc2O)OC[C@@H]3O)C1	794649464	LHUMMPAFXKWLFS-GOEBONIOSA-N	293.363	1.819	10	20	CDCD	
C[C@@]1(CNCc2cc3c(cc2O)OCO3)CCCO1	94797467	QUBKRSIXIYZPCL-AWEZNQCLSA-N	265.309	1.780	10	20	CDCD	
Oc1cc2c(cc1CN1C[C@H]3CC[C@H]1[C@@H](O)C3)[C@H](O)CO2	1333848087	VWDVCPDFMGURGS-MOUXYMJCSA-N	291.347	1.163	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1CCC[C@H](O)[C@H]1C(=O)O	1607667500	KYKWTQIHCOYDFT-GJZGRUSLSA-N	292.379	1.471	10	20	CDCD	
COc1ccc(O)c([C@H](C)N[C@H](C)C(=O)NC(C)C)c1	228930280	OFNGBIHDBFKCBL-WDEREUQCSA-N	280.368	1.965	10	20	CDCD	
Oc1ccccc1CNc1ncc(-c2nn[nH]n2)cc1F	1582815859	BYTFGEJTQCUSOG-UHFFFAOYSA-N	286.270	1.719	10	20	CDCD	
CCOc1ccc(O)c(CN2CC[C@](OC)(C(=O)O)C2)c1	1597130824	WWIYGFAMZGBDKG-OAHLLOKOSA-N	295.335	1.466	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@@H]1CCn2ccnc2C1	160085727	XFXOMTMSMMNJCO-GFCCVEGCSA-N	285.347	1.810	10	20	CDCD	
COCCNC(=O)NCc1ccc(N2CC=CC2)cc1	152710911	WOFOCSNEFMRFRZ-UHFFFAOYSA-N	275.352	1.508	10	20	CDCD	
COc1cccc(O)c1CN1CC[C@H](S(C)(=O)=O)C1	800533549	AZHUTDZOQQSMGC-JTQLQIEISA-N	285.365	1.020	10	20	CDCD	
CCC[C@@H](CCO)NC(=O)Nc1ccc(N)cc1	868164053	URWTWRURSSDTOO-NSHDSACASA-N	251.330	1.941	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)N[C@H]1C[C@H](C(=O)O)C1	874425283	SLIRIUARMIGFSL-XYPYZODXSA-N	278.308	1.397	10	20	CDCD	
C[C@H](CNCc1ccc2c(c1)CCO2)S(C)(=O)=O	697566537	FQDQPNPGVPMAET-SNVBAGLBSA-N	269.366	1.144	10	20	CDCD	
CCc1cccc(CN[C@@H]2COC[C@H]2OC)c1O	848920212	ZFZRYFCAJRFFPG-CHWSQXEVSA-N	251.326	1.458	10	20	CDCD	
O=C(NCc1ccc(O)c(F)c1)c1cccc(O)c1O	187115588	SCDALFZPZMYSSR-UHFFFAOYSA-N	277.251	1.873	10	20	CDCD	
CNCCCC(=O)N1CCN(c2ccc(OC)cc2)CC1	37610646	CBHMNVBHWZSIQP-UHFFFAOYSA-N	291.395	1.343	10	20	CDCD	
C[C@H](NC[C@@H]1COC2(CCOCC2)O1)c1ccccc1O	183671723	UWGWSHWAWWLUFN-QWHCGFSZSA-N	293.363	1.965	10	20	CDCD	
CN(C)C(=O)O[C@H]1CCN(Cc2ccccc2O)C1	295118780	MVLBXJJXDMTCEO-LBPRGKRZSA-N	264.325	1.665	10	20	CDCD	
CCOCc1cc(CN[C@H]2CC(=O)N(C)C2)ccc1OC	263789272	XMTNDIBJDSGRIV-AWEZNQCLSA-N	292.379	1.552	10	20	CDCD	
CN(C)[C@@H]1CCCN(C(=O)c2cccc(O)c2O)CC1	277383703	WPNVTNGNAVMCIE-LLVKDONJSA-N	278.352	1.654	10	20	CDCD	
COC[C@H](O)CCN[C@H](C)c1cc([N+](=O)[O-])ccc1O	273477742	LCOOTICTOZYJJG-MWLCHTKSSA-N	284.312	1.348	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1ccncc1	274978832	XELRRRVXSKEULK-LLVKDONJSA-N	286.331	1.783	10	20	CDCD	
CCOC[C@H]1CCN(C(=O)c2c(F)ccc(O)c2O)C1	276572468	NEACXWSPWUMDJT-VIFPVBQESA-N	283.299	1.736	10	20	CDCD	
COC(=O)[C@H]1C[C@H](OC)CCN1Cc1cc(F)ccc1O	378502598	VZBNPPZJURLZEW-CHWSQXEVSA-N	297.326	1.684	10	20	CDCD	
CCCOc1ccc(C=O)c(OCC(=O)C(C)=O)c1	289628425	MDKFOQODDUDGAS-UHFFFAOYSA-N	264.277	1.825	10	20	CDCD	
COC(=O)C[C@@H]1COCCN1Cc1cc(OC)ccc1O	377835095	QTCATDGPWLXYNN-GFCCVEGCSA-N	295.335	1.165	10	20	CDCD	
COc1ccncc1CNCc1cc2c(cc1O)OCO2	292784205	ULKJKAGTKNUDLU-UHFFFAOYSA-N	288.303	1.814	10	20	CDCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)N(C)CC	298099587	UNIAPLWJNMKPRH-UHFFFAOYSA-N	292.379	1.999	10	20	CDCD	
C[C@@H](NCc1nnn(C)n1)c1ccc2ccccc2c1O	398099488	HARNPRWHGPGJLK-SNVBAGLBSA-N	283.335	1.920	10	20	CDCD	
CCOCc1cc(CN[C@@H]2CC[C@H]2O)ccc1OC	818231738	UEHDEUFMXOFMFP-ZIAGYGMSSA-N	265.353	1.845	10	20	CDCD	
COc1ccc(O)c(CN(C)[C@@H]2CC(C)(C)OC2=O)c1	814178793	DFHOCNAMUYQDQT-GFCCVEGCSA-N	279.336	1.927	10	20	CDCD	
C[C@@H](NC(=O)c1cc2n(n1)CCO2)c1ccccc1O	827946248	BHGWTTFFYDWZIX-SECBINFHSA-N	273.292	1.472	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)CNC(=O)N1CCCC1	901054116	AXHHMQYCTDBJKW-UHFFFAOYSA-N	291.351	1.156	10	20	CDCD	
COCCN(CCC(=O)O)Cc1ccc(N(C)C)cc1C	901662566	CJGZEFYPMMLCRI-UHFFFAOYSA-N	294.395	1.984	10	20	CDCD	
COc1ccc(O)c(CNC(=O)NCc2cc[nH]n2)c1	734066201	JRZBFROMWPIIRR-UHFFFAOYSA-N	276.296	1.123	10	20	CDCD	
C[C@@]1(CNCc2cc(Cl)cc(F)c2O)CCC(=O)N1	835060882	ORBOZZYXAVXJEQ-ZDUSSCGKSA-N	286.734	1.943	10	20	CDCD	
CS[C@H](C)CC(=O)NCc1ccc(O)cc1O	910948931	BRBVJDNIQNCYIC-MRVPVSSYSA-N	255.339	1.856	10	20	CDCD	
CCC(=O)N1CCC[C@H](C(=O)NCc2ccccc2O)C1	748346466	XXBGVUOONHYQRO-ZDUSSCGKSA-N	290.363	1.657	10	20	CDCD	
O=C(NC[C@@H](O)C(F)(F)F)c1cc(O)cs1	748412037	IHNABNSAUFVHGF-ZCFIWIBFSA-N	255.217	1.107	10	20	CDCD	
Oc1c(F)cccc1CN1CCN([C@H]2CCNC2)CC1	843125180	ZROCDYXNFUVYIZ-ZDUSSCGKSA-N	279.359	1.011	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCC(=O)C1	843851524	NGSLLWPXYIGRRG-ONGXEEELSA-N	277.320	1.514	10	20	CDCD	
COC/C(C)=C/C(=O)NCc1cccc(OC)c1O	845835094	YJDAXDCZTKZDEF-JXMROGBWSA-N	265.309	1.610	10	20	CDCD	
C[C@H](CNC(=O)Nc1ccc(N)cc1)Cn1cccn1	841301402	NSSIIVCRRJCJRA-LLVKDONJSA-N	273.340	1.923	10	20	CDCD	
C[C@H]1C[C@H](NCc2ccc(N3CCOCC3)cc2)CCN1	841061243	HGYDSMZFORNRAC-GOEBONIOSA-N	289.423	1.753	10	20	CDCD	
CCN1CCN(Cc2cc(C)cc(OC)c2O)CC1	915789757	KLJFQLSQHNEXNF-UHFFFAOYSA-N	264.369	1.847	10	20	CDCD	
CC(C)[C@H](C(=O)O)C(=O)NCCc1ccc(N)cc1	849365123	WMWQPDJPDHBNQG-LBPRGKRZSA-N	264.325	1.284	10	20	CDCD	
COC[C@@H](CN[C@@H](C)c1cccc(OC)c1O)OC	846166503	XZEMNOQPPUMATP-WDEREUQCSA-N	269.341	1.713	10	20	CDCD	
CCOc1ccc(CNC[C@@H]2CCN2C)c(O)c1	922576215	YNBFITONGKMISR-LBPRGKRZSA-N	250.342	1.585	10	20	CDCD	
O=C(OCC[C@H]1CCOC1=O)c1cccc(O)c1O	758561744	LVWSTLXLTDIJMG-MRVPVSSYSA-N	266.249	1.208	10	20	CDCD	
O=C(NCCCNC(=O)C1CCC1)c1cc(O)cs1	752820202	ILJXMMSDTHFPAQ-UHFFFAOYSA-N	282.365	1.490	10	20	CDCD	
COc1cccc(CN2CC[C@@H](C)[C@@H](CO)C2)c1O	857061087	JMZVIMAIWYSTDM-DGCLKSJQSA-N	265.353	1.851	10	20	CDCD	
C[C@H](NC[C@@H](C)S(C)(=O)=O)c1ccc(F)cc1O	697583669	UBRBXROQNOIQSO-BDAKNGLRSA-N	275.345	1.615	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)Cc2cc(C)no2)c1	862756085	POUVGKFLJPPTEW-UHFFFAOYSA-N	260.293	1.856	10	20	CDCD	
COc1cccc(O)c1CN1CCN(CC(C)(C)O)CC1	769300985	CRRIBZKUEJFNHH-UHFFFAOYSA-N	294.395	1.289	10	20	CDCD	
C[C@@H](c1ccc(N(C)C)cc1)N1C(=O)CN(C)C1=O	761576757	DTFGUDLUYSXVSI-JTQLQIEISA-N	261.325	1.708	10	20	CDCD	
COC(=O)[C@H](CC(F)(F)F)NC(=O)c1cc(O)cs1	765864013	GBVAHWJVIATHIE-LURJTMIESA-N	297.254	1.678	10	20	CDCD	
CCNC(=O)CN(C)Cc1cc(OCC)ccc1O	768915647	KHCCEKMSLRMNQC-UHFFFAOYSA-N	266.341	1.359	10	20	CDCD	
CN(C)c1cc(F)c(CN2CCC[C@H](C(N)=O)C2)cc1F	862210344	IMMSAEXOINTDRH-JTQLQIEISA-N	297.349	1.728	10	20	CDCD	
CCOC(=O)C(C)(C)C(=O)NCc1cc(OC)ccc1O	763067526	UGWCJEZLYKKWBW-UHFFFAOYSA-N	295.335	1.606	10	20	CDCD	
CN(C(=O)[C@@]12CCC(=O)N1CCS2)c1ccc(N)cc1	877080915	RHWVYYRKIBXNKR-AWEZNQCLSA-N	291.376	1.297	10	20	CDCD	
CN1CC[C@@](O)(CNCc2cc(F)c(N(C)C)cc2F)C1	1118909390	SOWPXAKWYLMRME-OAHLLOKOSA-N	299.365	1.187	10	20	CDCD	
CCOc1ccc(CN2CC[C@@H](C)[C@H]2CO)c(O)c1	785985292	UMKCOFSLEHVOLA-BXUZGUMPSA-N	265.353	1.994	10	20	CDCD	
C[C@H](O)C[C@@H](C)NCc1ccc(N2CCN(C)CC2)cc1	782977470	FXLIGSLJVDWBJP-CABCVRRESA-N	291.439	1.687	10	20	CDCD	
Cc1ccc(CNCCCN2CCOCC2)c(O)c1	83478844	JIYWSZODHQAGOR-UHFFFAOYSA-N	264.369	1.513	10	20	CDCD	
COc1ccc(CN2C[C@@H]3CNC[C@@H]3C2)c(O)c1OC	892251618	JRIHNQTZZXFBEG-TXEJJXNPSA-N	278.352	1.061	10	20	CDCD	
COc1cc(C)cc(CN(C)[C@@]2(CO)CCOC2)c1O	895386299	XADAQHHZUQFZID-OAHLLOKOSA-N	281.352	1.292	10	20	CDCD	
C[C@@H](O)C[C@@H](C)NC(=O)NCc1ccc(N(C)C)c(F)c1	783201689	XIDXZUCEQDOADZ-GHMZBOCLSA-N	297.374	1.850	10	20	CDCD	
COc1cccc(CNC2CCN(C=O)CC2)c1O	894458296	QJTABBBDEANBRN-UHFFFAOYSA-N	264.325	1.111	10	20	CDCD	
COC[C@H]1CCCN1C(=O)c1cccc(O)c1O	702763324	COKHXRPQRVZDET-SECBINFHSA-N	251.282	1.349	10	20	CDCD	
COC[C@@](C)(O)CNCc1cc(F)cc(F)c1O	708498465	ZTBOBOUDDWXKLW-LBPRGKRZSA-N	261.268	1.157	10	20	CDCD	
CCOc1ccc(CN2CCn3cnnc3[C@@H]2C)c(O)c1	792187930	NAVKDXRJDJZFPV-NSHDSACASA-N	288.351	1.959	10	20	CDCD	
COC[C@H](C)CS(=O)(=O)NCc1cc(C)ccc1O	1329806725	QDCHBZOXOFMFJN-NSHDSACASA-N	287.381	1.403	10	20	CDCD	
Cc1nc(=NCc2ccc(N3CCCC3)cc2)n(C)[nH]1	1323984530	FFKVKZRTVQWOLX-UHFFFAOYSA-N	271.368	1.758	10	20	CDCD	
C[C@H]1N(C(=O)NCc2ccc(N)cc2)CCOC1(C)C	1337070752	VJLZROQGKOGCDS-LLVKDONJSA-N	277.368	1.978	10	20	CDCD	
COC(=O)c1cnc(S[C@@H]2CCN(C3CC3)C2=O)s1	1330597829	FGNNJQIEPNLVNI-MRVPVSSYSA-N	298.389	1.785	10	20	CDCD	
COCCN(CCC(=O)OC)Cc1ccc(N)cc1	1335285185	KZRFWOSAMAGTFW-UHFFFAOYSA-N	266.341	1.280	10	20	CDCD	
O=C(c1cc(O)cs1)N1CC[C@]2(CCOC2=O)C1	1262668205	QHAPWQHKFIHYOM-LBPRGKRZSA-N	267.306	1.233	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)NCC2(N)CC2)cc1	1353289424	YDJLDRGSUWQRJW-UHFFFAOYSA-N	290.411	1.823	10	20	CDCD	
C[C@H](N[C@@H](C)C(F)F)c1cccc(-c2nn[nH]n2)c1O	1603647950	AJVKGOMSCCYOTD-BQBZGAKWSA-N	283.282	1.877	10	20	CDCD	
Cc1cccc(CN[C@H]2CCO[C@H]2C(=O)O)c1O	1607852269	DRAOZUZZAZBDHN-CMPLNLGQSA-N	251.282	1.032	10	20	CDCD	
C[C@H](NC[C@@]1(O)CCO[C@@H]1C)c1ccc(F)cc1O	228054778	JJQKTMNVQWCILU-RBZYPMLTSA-N	269.316	1.722	10	20	CDCD	
Cc1ccc(CN2C[C@H]3COC[C@@]3(C(=O)O)C2)c(O)c1	1574366618	LWEGXGXJGCJOOZ-WFASDCNBSA-N	277.320	1.234	10	20	CDCD	
Nc1ccc(CNS(=O)(=O)CCOCC2CC2)cc1	1580447008	NUYVUIRIUUUWGC-UHFFFAOYSA-N	284.381	1.115	10	20	CDCD	
COc1cccc(O)c1CN1CCOC[C@H]1CC(=O)O	1599680255	IKGVTDDTKWGIOY-SNVBAGLBSA-N	281.308	1.076	10	20	CDCD	
CCN1CCc2cc(CNC[C@H](C)C(=O)O)ccc21	1776877406	BGENPMKOHJGTLC-NSHDSACASA-N	262.353	1.879	10	20	CDCD	
C[C@H](CNCc1ccc(N2CCOCC2)cc1)CC(=O)O	1776425453	WAMNVGZSZBLYMP-ZDUSSCGKSA-N	292.379	1.724	10	20	CDCD	
Cc1cccc(CNCCCC(=O)NC2CC2)c1O	124708523	UOMAOEJHFBFSBP-UHFFFAOYSA-N	262.353	1.849	10	20	CDCD	
CC[C@@](C)(CC(=O)OC)NC(=O)Cc1ccc(N)cc1	162770130	FRTGSVBZIKHCGQ-HNNXBMFYSA-N	278.352	1.659	10	20	CDCD	
CCc1nc(CNCc2ccc3c(c2)CCCO3)n[nH]1	922150267	PKHKKVXQQJKCPQ-UHFFFAOYSA-N	272.352	1.982	10	20	CDCD	
CN(C)c1ccc(NC(=O)Cc2ccc(N)cc2)cn1	37020081	QJWDMCIEKLSCHZ-UHFFFAOYSA-N	270.336	1.911	10	20	CDCD	
C[C@H]1SCC[C@H]1NC(=O)Cc1ccc(N)cc1	379870639	XLYWKKLFVOGJEI-BXKDBHETSA-N	250.367	1.822	10	20	CDCD	
COC[C@@H]1CN(Cc2cc(C)cc(OC)c2O)CCO1	178894348	AXUVZOBKACWAHO-ZDUSSCGKSA-N	281.352	1.556	10	20	CDCD	
CCCN(CCO)C(=O)NCc1ccc(N(C)C)cc1C	304202922	AXABITQXRUGMHH-UHFFFAOYSA-N	293.411	1.975	10	20	CDCD	
COc1ccc(O)c(CNc2c([N+](=O)[O-])c(C)nn2C)c1	301249521	CPGAPIVAKQGQCF-UHFFFAOYSA-N	292.295	1.963	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccnc(F)c1	183434175	ZGEXGQZXCHWJTR-VIFPVBQESA-N	290.294	1.993	10	20	CDCD	
COc1ccc(N2CCCN(Cn3cnnc3)CC2)cc1	182572886	ZSAUTSAWXAVBOX-UHFFFAOYSA-N	287.367	1.457	10	20	CDCD	
CN(C)CC(C)(C)CNC(=O)/C=C/c1ccc(O)c(O)c1	180892432	VQCZKLRKJWQTKN-SOFGYWHQSA-N	292.379	1.815	10	20	CDCD	
O=S1(=O)CCC(NCc2ccccc2O)CC1	36331327	XOYONRAZLAKHSQ-UHFFFAOYSA-N	255.339	1.059	10	20	CDCD	
CCOc1cccc(CN(C)[C@@H](C)C[S@](C)=O)c1O	131002818	PVGKBRIJOXPROF-JEOXALJRSA-N	285.409	1.990	10	20	CDCD	
C[C@@H](C(=O)NCc1ccc(O)c(O)c1)N1CCSCC1	182531146	YCSSXLSSRFIEDH-JTQLQIEISA-N	296.392	1.151	10	20	CDCD	
O=C1N=C(N2CCCCC2)S/C1=C\c1csnn1	45745738	VGUUXXDWAQNPAB-TWGQIWQCSA-N	280.378	1.994	10	20	CDCD	
COC1(CNC(=O)c2ccc(C)c(O)c2O)CCC1	183025742	RZRVOYMGLWSXHV-UHFFFAOYSA-N	265.309	1.705	10	20	CDCD	
Cc1cc(C(=O)N[C@@H](C)C(N)=O)c(C)n1-c1ccccn1	183207198	GOFBHIIZIZKYTP-JTQLQIEISA-N	286.335	1.093	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)CN1CCSC1=O	48606751	WFHOSTKFQSNGAJ-UHFFFAOYSA-N	280.349	1.519	10	20	CDCD	
CC(C)[C@@H]1NC(=O)N(Cc2ccc(N(C)C)cc2)C1=O	272040768	GFBCTPNTWPDNNA-ZDUSSCGKSA-N	275.352	1.829	10	20	CDCD	
Cc1cc(O)c(CNC[C@]2(O)CCO[C@H]2C)cc1C	278566674	DCMAWTIOJARLPY-SWLSCSKDSA-N	265.353	1.639	10	20	CDCD	
COCC1(O)CCN(Cc2cc(C)ccc2O)CC1	271213916	ZTJWOPGCVLRFJF-UHFFFAOYSA-N	265.353	1.674	10	20	CDCD	
C[C@@H](N[C@H]1CCCCNC1=O)c1cc([N+](=O)[O-])ccc1O	273378346	HTRMRGKYHNBKHC-SKDRFNHKSA-N	293.323	1.620	10	20	CDCD	
Cn1cncc1CNCc1cc(Cl)cc([N+](=O)[O-])c1O	289750997	HKBPYXRAEPMSHE-UHFFFAOYSA-N	296.714	1.977	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc(=N)[nH]c1	638131054	IOSPYVGENCVMIL-UHFFFAOYSA-N	298.346	1.599	10	20	CDCD	
CCN1CCC(NC(=O)NCc2ccccc2O)CC1	299529775	RZIBALVYZYVLAV-UHFFFAOYSA-N	277.368	1.676	10	20	CDCD	
COc1ccc(CNC(=O)c2cccc(O)n2)c(O)c1	802626046	WQSBILRENOVXAR-UHFFFAOYSA-N	274.276	1.431	10	20	CDCD	
CCC(=O)N1CCCC[C@H]1C(=O)NCc1ccc(N)cc1	297166508	KBQVWFUEDFWDGD-AWEZNQCLSA-N	289.379	1.676	10	20	CDCD	
CON(C)C(=O)C1CCN(Cc2cc(C)ccc2O)CC1	291240059	LDZLRTLCEFGWSG-UHFFFAOYSA-N	292.379	1.932	10	20	CDCD	
CC[C@H](O)CNC(=O)NCc1ccc(N2CC=CC2)cc1	293199792	ZJGVHEPZSOPAIR-HNNXBMFYSA-N	289.379	1.633	10	20	CDCD	
COc1cccc(CN2C[C@@H](CO)OC(C)(C)C2)c1O	817413120	UMIZVSLGNTUZLL-LBPRGKRZSA-N	281.352	1.373	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)C1(O)CCCC1	573446155	BIWOESYWYAWYPE-UHFFFAOYSA-N	290.363	1.783	10	20	CDCD	
Cc1ccc(O)c(CN2CCC(O)(CO)CC2)c1	827147304	PUQBSKVOIFZTQU-UHFFFAOYSA-N	251.326	1.020	10	20	CDCD	
CN(Cc1ccnc(-c2nn[nH]n2)c1)Cc1ccccc1O	825986298	XYMQRVYCFPFNCU-UHFFFAOYSA-N	296.334	1.599	10	20	CDCD	
CCCN(CC(=O)O)Cc1ccc(N2CCOCC2)cc1	829475793	DJRNDAXPFIGWMD-UHFFFAOYSA-N	292.379	1.820	10	20	CDCD	
C[C@H](CC(=O)O)C(=O)N1CCOc2cc(N(C)C)ccc21	827263290	OWDVZNRQLMTRIR-SNVBAGLBSA-N	292.335	1.589	10	20	CDCD	
C[C@@H](NCc1ccc(N(C)C)c(F)c1)c1cn(C)nn1	902779102	NRZBHKYVNLIVTH-SNVBAGLBSA-N	277.347	1.871	10	20	CDCD	
O=C1CC[C@@H](C(=O)NCCCSc2nccs2)N1	733971676	APVJRTGIPROFQR-QMMMGPOBSA-N	285.394	1.020	10	20	CDCD	
CCc1nocc1C(=O)NCc1cccc(OC)c1O	830540217	GZTMCHRFYHFQOJ-UHFFFAOYSA-N	276.292	1.881	10	20	CDCD	
CN(C)c1ccc([C@H](N)CNC(=O)c2ccoc2)cc1	832292710	KIAVXMIPBLGOEU-CQSZACIVSA-N	273.336	1.775	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)c1cc2n(n1)CCCO2	910947649	IJBXIBTYOLQZNZ-UHFFFAOYSA-N	289.291	1.007	10	20	CDCD	
CN(C)CCN(C)CCCNC(=O)Nc1ccc(N)cc1	841298328	AHHNJYRAAUXMOK-UHFFFAOYSA-N	293.415	1.274	10	20	CDCD	
C[C@@H](N)[C@H]1CCCCN1C(=O)NCCc1ccc(N)cc1	841955608	HYNVIMLIVJIVJE-IUODEOHRSA-N	290.411	1.723	10	20	CDCD	
CC1(C)CN(C(=O)C(=O)Nc2ccc(N)cc2)[C@H]1C1CC1	841134629	ZXTHGGZFHSRBQA-ZDUSSCGKSA-N	287.363	1.854	10	20	CDCD	
CN1CCN(Cc2cc(C(C)(C)C)cc(O)c2O)CC1=O	844728067	JRFHJSIHDBUYRY-UHFFFAOYSA-N	292.379	1.669	10	20	CDCD	
CC[C@H](N)CNC(=O)NCc1ccc(N2CC=CC2)cc1	841832903	XDIVKMVOEPNXQF-AWEZNQCLSA-N	288.395	1.599	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NOCC(F)F)cc1	758832378	CRHZLBSQASQYEA-UHFFFAOYSA-N	273.283	1.749	10	20	CDCD	
C[C@@H](NC(=O)N[C@@H]1COC[C@@H]1C)c1ccccc1O	926031873	MOFNRYLBOUSJQF-HOSYDEDBSA-N	264.325	1.787	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1cnn(C)c1N	758172059	ZSFKUROCQIMFBT-UHFFFAOYSA-N	287.367	1.307	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNc1ncnc2c1nnn2C	853342171	GAKFSEUIPFGAMK-UHFFFAOYSA-N	297.366	1.745	10	20	CDCD	
C[C@@H](NCCc1cnccn1)c1cc([N+](=O)[O-])ccc1O	756787730	RDDMDMRINZJXHP-SNVBAGLBSA-N	288.307	1.984	10	20	CDCD	
O=C(Cc1cnn2c1CCCC2)NCc1ccccc1O	866756495	WCBMIKLXXJIAAS-UHFFFAOYSA-N	285.347	1.784	10	20	CDCD	
C[C@@H]1CC[C@@H](C)N1CC(=O)NCCc1ccc(O)c(O)c1	767776839	YGEZXXFGELJUCG-VXGBXAGGSA-N	292.379	1.629	10	20	CDCD	
C[C@H](N[C@H]1C[C@@H](CO)C1)c1cc([N+](=O)[O-])ccc1O	866416322	SAZZWWJAOKKKBA-LPEHRKFASA-N	266.297	1.722	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@@H](O)C(C)(C)C)c1	765178871	USAMYZQPPUTYMS-GFCCVEGCSA-N	267.325	1.424	10	20	CDCD	
COc1ccc(CNC[C@H](OC)C2CCOCC2)c(O)c1	877494139	TZVLLJFHRPKBET-INIZCTEOSA-N	295.379	1.932	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N(CCCO)C1CC1	779541471	YSUPTGABJLQMEN-XVNBXDOJSA-N	277.320	1.484	10	20	CDCD	
CCOC(=O)C1=NN(c2ccccc2C(=O)O)C(=O)[C@@H]1C	871948692	YTZWIIKSWFFNJB-MRVPVSSYSA-N	290.275	1.287	10	20	CDCD	
OC[C@@H]1C[C@@H](O)CN1Cc1cc(-c2ccccc2)ccc1O	775995355	NVYDILAIEODKFM-DLBZAZTESA-N	299.370	1.987	10	20	CDCD	
CCOc1ccc(N2CCN(CC(=O)N(C)C)CC2)cc1	1116351753	FHLBHJTWDNENLC-UHFFFAOYSA-N	291.395	1.296	10	20	CDCD	
CNc1nc(C)cc(C(=O)NCc2ccccc2O)n1	774066375	SUBBQDDZALLFHD-UHFFFAOYSA-N	272.308	1.462	10	20	CDCD	
CN1CCN(c2ccc(CNCc3ccn(C)n3)cc2)CC1	771868672	NTJAMIAXIQRWBV-UHFFFAOYSA-N	299.422	1.462	10	20	CDCD	
CCCNC(=O)CCC(=O)NCc1ccc(N)cc1	1122536232	VVFISINGCUEQSM-UHFFFAOYSA-N	263.341	1.191	10	20	CDCD	
CN(C)c1ccc(OCCN2CCOC2=O)cc1	882988711	BUSRDTHCOCODKX-UHFFFAOYSA-N	250.298	1.584	10	20	CDCD	
C[C@H](N[C@@H](C)[C@H]1CN(C)CCO1)c1c(O)cccc1F	886553473	OCHASPXSWXXPQV-COPLHBTASA-N	282.359	1.901	10	20	CDCD	
COC(=O)[C@]12CCC[C@H]1CN(C(=O)c1cc(O)cs1)C2	881713175	DKUBNQNHYKDKNH-XPTSAGLGSA-N	295.360	1.869	10	20	CDCD	
CCOc1ccc(CNC[C@H](COC)OC)c(O)c1	781416944	UJXAIXNIYOHNSX-CYBMUJFWSA-N	269.341	1.542	10	20	CDCD	
C[C@H]1C[C@@H](O)CN1Cc1ccc(N2CCN(C)CC2)cc1	788271164	ZRXYGLVTBLFNBD-WMLDXEAASA-N	289.423	1.394	10	20	CDCD	
CCN(Cc1cc(C)cc(OC)c1O)[C@H](C)CO	894832850	XJTZEAKEMDQADJ-LLVKDONJSA-N	253.342	1.912	10	20	CDCD	
COc1cc(C)cc(CNCC2([S@](C)=O)CC2)c1O	894661931	GWVJQQDQZCFPEC-IBGZPJMESA-N	283.393	1.710	10	20	CDCD	
O=C(CCOCC(F)F)NCCc1ccc(O)c(O)c1	189545033	SATBPCUDMAXGNM-UHFFFAOYSA-N	289.278	1.428	10	20	CDCD	
COc1ccc(CN[C@@H]2COCC[C@H]2O)cc1C	710881278	WJNGCIYELSUWQE-CHWSQXEVSA-N	251.326	1.243	10	20	CDCD	
Oc1ccc(Cl)c(F)c1CN1CCn2cnnc2C1	792167982	WBFLNUNMDAFOPI-UHFFFAOYSA-N	282.706	1.792	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@H]2CC[C@@H](N)C2)cc1	91542440	MOSPQYNYDRDPSU-CHWSQXEVSA-N	261.369	1.496	10	20	CDCD	
COc1cccc(O)c1CN[C@H]1C[C@@H](O)C1(C)C	778193312	ZKLDBUBTNUZFQI-QWHCGFSZSA-N	251.326	1.650	10	20	CDCD	
C[C@H]1CCCN(C(=O)NCc2ccc(N)cc2)[C@H]1CCO	1337070313	MOHLAOCTJWNONL-WFASDCNBSA-N	291.395	1.961	10	20	CDCD	
O=C(O)CCCCNC(=O)NCc1c(O)cccc1F	1341431105	DPAJNAHAWASKSU-UHFFFAOYSA-N	284.287	1.585	10	20	CDCD	
CC1(C)CC[C@H](C(=O)NCc2cccc(O)c2O)O1	1348047553	OFGFWIXNPVYOJK-LLVKDONJSA-N	265.309	1.672	10	20	CDCD	
CN(C(=O)[C@H]1CCCC(=O)N1C)c1ccc(N)cc1	1342237655	BELOLNQQWYKNIQ-GFCCVEGCSA-N	261.325	1.243	10	20	CDCD	
C[C@@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)[C@H](C(=O)O)C1	1604742705	CUDUQHSNPFVAQH-KOLCDFICSA-N	293.319	1.352	10	20	CDCD	
Cc1cccc(CN2CCC[C@@H](O)[C@@H]2C(=O)O)c1O	1610522148	SMHWOUKEGXLYKO-VXGBXAGGSA-N	265.309	1.111	10	20	CDCD	
C[C@H](C(=O)O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	1588568164	ANEDNKXFGXKKNG-VHSXEESVSA-N	264.325	1.651	10	20	CDCD	
CN(C)C(=O)CCCSc1ncc(C(=O)O)s1	1598124558	LSTWIGANVBQQGX-UHFFFAOYSA-N	274.367	1.802	10	20	CDCD	
Cc1ccc(C(=O)NC2(C(=O)O)CCCCC2)c(O)c1O	1594346431	ULUAOZUYDGUMNV-UHFFFAOYSA-N	293.319	1.924	10	20	CDCD	
COc1cc(N2CC[C@H](O)[C@@H](C)C2)c([N+](=O)[O-])cc1OC	167115036	SZTSHMZIJPSCIL-CABZTGNLSA-N	296.323	1.819	10	20	CDCD	
Cc1cccc(O)c1CN1CC[C@@H](S(C)(=O)=O)C1	877499251	DIWPXWPTAODJQG-LLVKDONJSA-N	269.366	1.320	10	20	CDCD	
CC(C)(O)CCn1cc(COc2ccc(N)cc2)nn1	881316453	RFPOXGHHWORUDC-UHFFFAOYSA-N	276.340	1.600	10	20	CDCD	
CC(C)(O)Cn1cc(COc2ccc(N)cc2)nn1	881404862	VOLVTARIBDZGBM-UHFFFAOYSA-N	262.313	1.210	10	20	CDCD	
CCOc1cccc(CN2CC[C@@H]([C@H](C)N)C2)c1O	252789692	RTAFIZSKVRCCAS-NWDGAFQWSA-N	264.369	1.960	10	20	CDCD	
Cc1cc(C(=O)NCc2ccccc2O)c(C)nn1	162143929	YPGKJKRJWQKEIY-UHFFFAOYSA-N	257.293	1.729	10	20	CDCD	
Cc1ccc(O)c(CN2C[C@@H](C)S(=O)(=O)[C@H](C)C2)c1	291045949	ZNDFQMSAFZXDFO-VXGBXAGGSA-N	283.393	1.708	10	20	CDCD	
CO[C@@H]1CCOC[C@H]1N[C@@H](C)c1ccccc1O	724897082	OMKKQLKZBBWSRG-ZKYQVNSYSA-N	251.326	1.847	10	20	CDCD	
COc1cccc(CNCCC2(CO)CC2)c1O	395974549	SQSPANCUJUHRAK-UHFFFAOYSA-N	251.326	1.653	10	20	CDCD	
CC(C)OCC(=O)NCc1ccc(N(C)C)c(F)c1	58734121	CKDJKUBPBRWTJL-UHFFFAOYSA-N	268.332	1.933	10	20	CDCD	
C[C@@H](NCCO)c1cc(Br)c(F)cc1O	134910922	OZJIMROMSYFFRQ-ZCFIWIBFSA-N	278.121	1.937	10	20	CDCD	
C[C@H]1CC[C@@H](C)N1[C@H](C)C(=O)NCc1cccc(O)c1O	1348048631	VYKVYZPATFJBQY-GRYCIOLGSA-N	292.379	1.975	10	20	CDCD	
CO[C@@H](C)CCC(=O)NCc1ccc(O)c(O)c1	184027090	KQGYKKUWXKIHFE-VIFPVBQESA-N	253.298	1.529	10	20	CDCD	
CCCN(CC(=O)NC)Cc1ccc(N(C)C)cc1	128246093	ADOIJBCTCGYRTM-UHFFFAOYSA-N	263.385	1.711	10	20	CDCD	
CCn1nccc1C(=O)NCc1cc(OC)ccc1O	131836810	HPXIYJQSOPEEIH-UHFFFAOYSA-N	275.308	1.547	10	20	CDCD	
COc1ccc(O)c(CN2CCS(=O)(=O)CC[C@@H]2C)c1	192054155	UKEFKDPBUVNOMW-NSHDSACASA-N	299.392	1.410	10	20	CDCD	
C[C@H](NCc1cccc(Br)c1O)C(=O)O	49358611	DXBOPXAIZUHCOO-LURJTMIESA-N	274.114	1.717	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)[C@]1(C)CCOC1	356013970	OZOIPTHZTQYVQJ-MRXNPFEDSA-N	290.363	1.905	10	20	CDCD	
Cc1cc(O)c(CN(C)[C@H]2CCN(C)C2=O)cc1C	265726721	PAARXCZMLXNBOS-ZDUSSCGKSA-N	262.353	1.672	10	20	CDCD	
CCN1CC(=O)N[C@H]1c1ccc(N(C)C)c(F)c1	276397735	GSEAKEAITAHYQQ-CYBMUJFWSA-N	251.305	1.342	10	20	CDCD	
CN(C)CC(=O)NCc1cccc(Br)c1O	277482100	IUTVHDQECSZBFW-UHFFFAOYSA-N	287.157	1.333	10	20	CDCD	
OC[C@@H]1[C@H]2CN(Cc3ccc(N4CCOCC4)cc3)C[C@H]21	367838685	GAIUKLISGRQRLP-FVQHAEBGSA-N	288.391	1.193	10	20	CDCD	
COC[C@H]1CCN(Cc2cc(OC)c(OC)cc2O)C1	271105172	REUSEKUPOFKBEC-NSHDSACASA-N	281.352	1.878	10	20	CDCD	
Cc1nc(CCN[C@@H](C)c2ccc(F)c(F)c2O)n[nH]1	276935359	OUPXSLPVGJONKE-ZETCQYMHSA-N	282.294	1.990	10	20	CDCD	
C[C@H](N[C@@H](CO)c1cnn(C)c1)c1ccc(F)c(F)c1O	276885454	GQENYVDEKDBZGY-UFBFGSQYSA-N	297.305	1.788	10	20	CDCD	
Cc1cc(O)c(CN2CCOC[C@H]2c2ncon2)cc1C	374838643	UDNIRBKGPPQDRL-ZDUSSCGKSA-N	289.335	1.966	10	20	CDCD	
CCOc1cccc(CN(CC)CCOCCO)c1O	282883299	YQTGZFMSBYMPCZ-UHFFFAOYSA-N	283.368	1.622	10	20	CDCD	
COC(=O)c1cc(CNCc2cccc(OC)c2O)c[nH]1	289495567	SGHJCAWVKLANBP-UHFFFAOYSA-N	290.319	1.805	10	20	CDCD	
CN(C)CCN(CCN(C)C)Cc1ccccc1O	809741153	KWASUPUMUQAVBS-UHFFFAOYSA-N	265.401	1.317	10	20	CDCD	
Cc1cc(CN2C[C@@H](C)O[C@@H](C(N)=O)C2)ccc1N(C)C	292677735	BPNOONYBPGGFLZ-IUODEOHRSA-N	291.395	1.136	10	20	CDCD	
COc1nccc(NC(=O)NCc2ccccc2O)n1	801724626	QZFVBTFKZQIELE-UHFFFAOYSA-N	274.280	1.513	10	20	CDCD	
CN(C[C@@H]1CCNC(=O)CC1)c1ccc2c(c1)OCO2	294934912	KOAREGJVVUJGOA-NSHDSACASA-N	276.336	1.768	10	20	CDCD	
CCN(CCO)C(=O)NCc1ccc(N(C)C)c(F)c1	299442170	QFZFRSRPJAZUKR-UHFFFAOYSA-N	283.347	1.416	10	20	CDCD	
CCOCC[C@H](O)CSc1ncc(C(=O)OC)s1	296136630	MBIWJPURIVSBKE-QMMMGPOBSA-N	291.394	1.809	10	20	CDCD	
O=C(O)CCNC(=O)NCc1ccc(N2CCCC2)cc1	819490278	WSBCCGGGSSWVKQ-UHFFFAOYSA-N	291.351	1.561	10	20	CDCD	
CN(C)c1ccc(CNCC2(CC(N)=O)CC2)cc1	817411781	ZBRSQYJGSVSUQM-UHFFFAOYSA-N	261.369	1.498	10	20	CDCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC[C@H](C)O	819374546	FYVXOZNZUMJUBR-STQMWFEESA-N	250.386	1.962	10	20	CDCD	
COc1cccc(CNC(=O)C[C@H](C)n2cccn2)c1O	819399178	SCQHGHDBBAOSQL-NSHDSACASA-N	289.335	1.865	10	20	CDCD	
COc1cccc(CN[C@H]2C[C@@H](C(=O)OC)C2)c1O	827500803	KKZDZPTVVVIMJN-PHIMTYICSA-N	265.309	1.442	10	20	CDCD	
COC[C@@H]1CN(C(=O)c2c(F)ccc(O)c2O)C[C@H](C)O1	829868830	TYLXTBZMCVAUTB-IUCAKERBSA-N	299.298	1.113	10	20	CDCD	
CNC(=O)C[C@H](C)NCc1cc(Cl)cc(F)c1O	825067842	FWIDROFYMHIEDP-ZETCQYMHSA-N	274.723	1.799	10	20	CDCD	
CCOc1cccc(CN[C@@H]2COC[C@H]2OCC)c1O	825196629	KPHYDLLUFULSJR-TZMCWYRMSA-N	281.352	1.684	10	20	CDCD	
CC(C)N1CC[C@H](CNC(=O)c2c(F)ccc(O)c2O)C1	825600742	QUQJZQJFBULBIV-SNVBAGLBSA-N	296.342	1.697	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@H](N)C(C)C)c1	828667792	UUTLMYGSVJPIDT-TVQRCGJNSA-N	266.341	1.561	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)[C@]1(Cl)C[C@H]2CC[C@H]1O2	907060405	NHNIMFLRXFMMGS-IUPBHXKESA-N	297.738	1.643	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@H]2[C@H]3CCC(=O)[C@@H]32)cc1	905317045	FECQITKLVBWOON-NWANDNLSSA-N	272.348	1.594	10	20	CDCD	
O=C(O)C1(C(=O)NCc2c(O)cccc2F)CC=CC1	902852686	BJVAVAJTXOCQKU-UHFFFAOYSA-N	279.267	1.569	10	20	CDCD	
NC[C@@H](NCc1cc2c(cc1O)OCO2)C1CCCC1	841088551	ZFTIOAPDVNVDGG-GFCCVEGCSA-N	278.352	1.728	10	20	CDCD	
COc1cccc(O)c1CN(C)Cc1nc(C)no1	848927986	SKOQYZCPKCLMMU-UHFFFAOYSA-N	263.297	1.724	10	20	CDCD	
CO[C@H](C)CCC(=O)N(CC(=O)O)Cc1ccccc1O	911489356	BJCQAIYAPYWDNP-LLVKDONJSA-N	295.335	1.621	10	20	CDCD	
O=C1C[C@H](CN[C@H]2CCc3cccc(O)c32)CN1C1CC1	846205493	HPIDBMVZIILMPG-RISCZKNCSA-N	286.375	1.980	10	20	CDCD	
CCCN(CCC)C(=O)C(=O)Nc1ccc(N)cc1	841010525	PBRVJCBWSPMQBJ-UHFFFAOYSA-N	263.341	1.856	10	20	CDCD	
C[C@H](CC(=O)NCc1ccc(N)cc1)n1ccnc1	846297903	LVJRVOVNLWOMRC-LLVKDONJSA-N	258.325	1.733	10	20	CDCD	
COCCN(C[C@@H]1CCNC1)c1ccc(OC)c(OC)c1	843359233	OAMCIECGSDZSSC-CYBMUJFWSA-N	294.395	1.766	10	20	CDCD	
Nc1ccc(CCNC(=O)N2CCC[C@@H]3COC[C@@H]32)cc1	841956089	VBTPWGKTUZACKP-HIFRSBDPSA-N	289.379	1.632	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)N[C@@H]2CO[C@@H](C)C2)c1	858575362	YSIVUJOERVGSKV-JQWIXIFHSA-N	264.325	1.677	10	20	CDCD	
Oc1ccc(CCNC(=S)NCC(F)(F)F)cc1O	750976233	UCYYLNDZUNDERY-UHFFFAOYSA-N	294.298	1.667	10	20	CDCD	
CCN(CC)C(=O)COc1ccc(N(C)C)cc1	757703411	HOBGIMOOXZIFAB-UHFFFAOYSA-N	250.342	2.000	10	20	CDCD	
CC(=O)N1CCC(C(=O)NCc2cc(C)ccc2O)CC1	862761013	AJSLJHPIOKVIME-UHFFFAOYSA-N	290.363	1.575	10	20	CDCD	
COc1cc(C(=O)N[C@H]2C[C@H](NC(C)C)C2)cc(OC)n1	1020352628	YWNMBTAAYNGKPE-HAQNSBGRSA-N	293.367	1.358	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccn(C)n1	935947405	XLIQAXZHMQTYMA-UHFFFAOYSA-N	280.324	1.541	10	20	CDCD	
COc1ccc(O)c(CN2CCSC[C@H]2CO)c1	877779586	CPUALTLTEHPQHR-LLVKDONJSA-N	269.366	1.311	10	20	CDCD	
CC[C@@H](C)N(CC)C(=O)C(=O)N(C)Cc1ccccc1O	1118527922	VSTHRCRSHGBISR-GFCCVEGCSA-N	292.379	1.998	10	20	CDCD	
CN(CCNC(=O)N(C)C)Cc1ccc(N(C)C)cc1	779431684	BAZZHWSZKKHBHB-UHFFFAOYSA-N	278.400	1.456	10	20	CDCD	
CC(C)CC(=O)NCCC(=O)N(C)c1ccc(N)cc1	877078174	GZSULTNMWVQSCO-UHFFFAOYSA-N	277.368	1.784	10	20	CDCD	
CC(C)OC[C@H]1CN(C(=O)c2cc(O)cs2)CCO1	771744689	UBIJWZYISPRFOI-LLVKDONJSA-N	285.365	1.720	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN[C@@H]1CCCS(=O)(=O)C1	775393415	LXJFINAZHFAXCB-CQSZACIVSA-N	296.436	1.728	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNC[C@@H]2CCCO2)c1O	774942571	MZFWOQFMPNUKMX-JTQLQIEISA-N	282.296	1.578	10	20	CDCD	
CNC(=O)[C@H]1CCC[C@H]1NCc1ccc(C)cc1O	877120740	UPTYAZKEIBYAMV-QWHCGFSZSA-N	262.353	1.705	10	20	CDCD	
Cc1ccc([C@@H](C)NCCN2CCNC2=O)c(O)c1C	886745325	UJLRKNSMABMLAP-GFCCVEGCSA-N	277.368	1.685	10	20	CDCD	
COc1ncc(/C=C\C(=O)N(C)Cc2ccccc2O)cn1	775875834	SOGNTTAPKAELRS-FPLPWBNLSA-N	299.330	1.863	10	20	CDCD	
C[C@H](O)C[C@@H]1CCCN1C(=O)NCc1ccc(N)cc1	1120677142	LEIZKPZSCSLPCG-FZMZJTMJSA-N	277.368	1.714	10	20	CDCD	
C[C@H]1CCS(=O)(=O)CCN1Cc1ccc(N)cc1	1120371108	QSHGIJLSQAQQNN-NSHDSACASA-N	268.382	1.278	10	20	CDCD	
COc1ccc(O)c([C@@H](C)N[C@H](C)c2ncnn2C)c1	276525536	CEDRWAYUWNGIRO-NXEZZACHSA-N	276.340	1.941	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@H]1CCCC(=O)N1	270377439	JGIIMAMIBMWIIT-LLVKDONJSA-N	262.309	1.019	10	20	CDCD	
COc1ccc(CNC(=O)c2ncoc2C)c(O)c1	794381387	LWGMTUSEFQAKRE-UHFFFAOYSA-N	262.265	1.627	10	20	CDCD	
CN(C)c1ccc(CN2CC[C@@H]3NC(=O)OC[C@H]3C2)cc1	798958024	XUDJEOBJACHREZ-HIFRSBDPSA-N	289.379	1.683	10	20	CDCD	
CC[C@@H]1CC[C@H](C(=O)NCc2ccc(OC)cc2O)O1	794374481	UYXMZMHZCQBFRO-BXUZGUMPSA-N	279.336	1.975	10	20	CDCD	
COc1cccc(CN[C@@H](CO)CC2CC2)c1O	754831886	BGXBWIDGCGDRKC-GFCCVEGCSA-N	251.326	1.651	10	20	CDCD	
C[C@@H](NCCCN1CCOCC1)c1cc(F)ccc1O	94616924	UUPSRNSLSFPCHA-GFCCVEGCSA-N	282.359	1.904	10	20	CDCD	
CCn1cc(CN(C)C(=O)NCc2ccc(N)cc2)cn1	1335730600	NERUIMLOSNBUAM-UHFFFAOYSA-N	287.367	1.827	10	20	CDCD	
COc1ccc(CN[C@@H]2CCN(C)[C@H](C)C2)c(O)c1OC	1334964754	JLXNYFYCPDJPKY-DGCLKSJQSA-N	294.395	1.982	10	20	CDCD	
CCCNCCNC(=O)NCc1ccc(N)cc1	1353423809	DBVPYZYNCHKJMH-UHFFFAOYSA-N	250.346	1.068	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)N[C@H]2C[C@@H](C(=O)O)C2)c1	1357173887	IAJIHYLCUPLRGL-JGZJWPJOSA-N	278.308	1.363	10	20	CDCD	
C[C@@](CO)(NCc1ccc(N2CCCC2)cc1)C(=O)O	1604194434	CSXDRRKSJKJPMZ-HNNXBMFYSA-N	278.352	1.212	10	20	CDCD	
C[C@H](CC(=O)O)NCc1cc(Cl)cc([N+](=O)[O-])c1O	1603133128	IWZWQPUOZFFQLY-ZCFIWIBFSA-N	288.687	1.907	10	20	CDCD	
O=C(O)[C@H](C[C@H]1CCCO1)NCc1cc(F)ccc1O	1601640800	FMQQAHHGDASHPN-NEPJUHHUSA-N	283.299	1.643	10	20	CDCD	
CC[C@H]1NCC[C@@H]1NC(=O)c1c(F)ccc(O)c1O	1578239825	GFKBKPKZTZEMBB-BDAKNGLRSA-N	268.288	1.107	10	20	CDCD	
C[C@@H](C(=O)O)C(=O)NCc1ccc2cccnc2c1O	1588573388	DSNWJGAYDTVJBZ-MRVPVSSYSA-N	274.276	1.277	10	20	CDCD	
CO[C@]1(CN[C@H](C)c2ccc(F)cc2O)CCOC1	123284872	ZFJCQGSPRHEQRK-YGRLFVJLSA-N	269.316	1.987	10	20	CDCD	
C[C@H](NCC[C@@H]1CCNC1)c1cc(C(=O)O)ccc1O	1593265160	QJUFFIAEPOCEMI-QWRGUYRKSA-N	278.352	1.741	10	20	CDCD	
COCCCNC(=O)CN(C)Cc1cc(C)cc(C)c1O	164208053	GYQOPOLXCHUMRW-UHFFFAOYSA-N	294.395	1.594	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)[C@H]1CCCNC1=O	208016917	BWLWFPNPOLMWAE-ZDUSSCGKSA-N	290.363	1.657	10	20	CDCD	
COCCCNCc1ccc(N2CCOCC2)cc1	20142861	VVJAEFUDHLLYDY-UHFFFAOYSA-N	264.369	1.649	10	20	CDCD	
C[C@H](NC(=O)c1cccc(O)c1O)[C@H](O)C(F)(F)F	819566869	SUFMTZSGQDYJFG-CDUCUWFYSA-N	279.214	1.139	10	20	CDCD	
C[C@@H](NC(=O)C[C@@H]1CSCCN1)c1ccccc1O	870988285	LONCWMZDNHJVCJ-GHMZBOCLSA-N	280.393	1.665	10	20	CDCD	
COc1ccc(O)c(CN[C@@H](C)C(=O)N2CCCC2)c1	135778537	XBWKHXVQKLMTCI-NSHDSACASA-N	278.352	1.501	10	20	CDCD	
CCCN(CC(=O)O)Cc1cc(F)cc(F)c1O	708075199	KFFOQNUGYGVWJO-UHFFFAOYSA-N	259.252	1.967	10	20	CDCD	
CCN1C[C@H](N[C@H](C)c2ccc(C)cc2O)CC1=O	391500085	VOBKOFQJNVINMV-VXGBXAGGSA-N	262.353	1.972	10	20	CDCD	
CO[C@@H]1CCOC[C@H]1NCc1cccc(C)c1O	724896695	LFPHLNUBLGBLDF-CHWSQXEVSA-N	251.326	1.594	10	20	CDCD	
COc1cccc(CNC(=O)c2cnsn2)c1O	105651267	ICQJORWAMULBFM-UHFFFAOYSA-N	265.294	1.182	10	20	CDCD	
C[C@H](CCN(C)C)NC(=O)NCc1ccc(N(C)C)cc1	65983734	SYFNPDOKBHNHRL-CYBMUJFWSA-N	292.427	1.892	10	20	CDCD	
COCCN(C)CCN[C@@H](C)c1ccccc1O	61375649	IWYKDWUTUYAOCU-LBPRGKRZSA-N	252.358	1.621	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2ccc(C(N)=O)nc2)cc1	122376063	XEAMCKZAISYTTP-UHFFFAOYSA-N	298.346	1.177	10	20	CDCD	
CC[C@@H]1C(=O)NCCN1Cc1cc(Cl)cc(OC)c1O	184688320	PXUDJYHNEDQOIJ-LLVKDONJSA-N	298.770	1.765	10	20	CDCD	
CCN(CC(C)(C)O)C(=O)c1cccc(O)c1O	126475470	OEKDLEXARDGWEK-UHFFFAOYSA-N	253.298	1.331	10	20	CDCD	
COc1ccc(O)c(CN(C)[C@H]2CCCCNC2=O)c1	367724032	NZXMWGBTGVZEIL-ZDUSSCGKSA-N	278.352	1.501	10	20	CDCD	
C[C@H](NCCO)c1ccc(Br)cc1O	134910950	QMEGJGITQCHGOC-ZETCQYMHSA-N	260.131	1.798	10	20	CDCD	
C[C@H](NC(=O)c1cccc(O)c1O)C(C)(C)CN(C)C	193090715	KCLSOUPQTZLKGF-JTQLQIEISA-N	280.368	1.804	10	20	CDCD	
C[C@@H](C[S@](C)=O)N(C)Cc1ccc(N(C)C)cc1	131182096	RRTLSXVYWLWYBT-KPZWWZAWSA-N	268.426	1.951	10	20	CDCD	
CC[C@@H]1C(=O)NCCN1Cc1c(O)cccc1Cl	131230952	DHZGWEKCIPFCFL-LLVKDONJSA-N	268.744	1.756	10	20	CDCD	
C[C@@H](NC(=O)Cc1ccc(N)cc1)c1cnn(C)c1	82284163	WYXGFGZTXSIMGR-SNVBAGLBSA-N	258.325	1.422	10	20	CDCD	
COc1cccc(CNc2cn[nH]c(=O)c2Cl)c1O	91479370	ZSBYEIYRJRICIJ-UHFFFAOYSA-N	281.699	1.750	10	20	CDCD	
Nc1ccc(CCNC(=O)c2cnn3c2CCC3)cc1	295190298	NYMVGSXQEJILCU-UHFFFAOYSA-N	270.336	1.384	10	20	CDCD	
CO[C@H]1CCCC[C@@H]1NC(=O)Cc1ccc(N)cc1	269228471	NRUYHJVDWGBFQG-KBPBESRZSA-N	262.353	1.885	10	20	CDCD	
CN(C)c1ccc(CN(CCO)CC(F)F)cc1F	279931886	YDDAYWYLZXTTOQ-UHFFFAOYSA-N	276.302	1.951	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCCN1C	274915924	JZSNTHGDRKXIFY-ZYHUDNBSSA-N	278.352	1.239	10	20	CDCD	
CS[C@H](CO)[C@H](C)NC(=O)c1ccc(C)c(O)c1O	272739115	LRUSQWNQMLMNMG-WCBMZHEXSA-N	285.365	1.248	10	20	CDCD	
COC[C@H](NC(=O)NCc1ccccc1O)[C@@H]1CCCO1	279555242	RSBXQRVOWGCTRU-JSGCOSHPSA-N	294.351	1.385	10	20	CDCD	
O=[N+]([O-])c1ccc(O)c(CNC[C@@H](CO)[C@H]2CCOC2)c1	280421483	ZGKCDNKTCWKULU-JQWIXIFHSA-N	296.323	1.035	10	20	CDCD	
CCCN[C@H](C)C(=O)NCc1ccc(N(C)C)c(F)c1	295193007	ODXRVXHCZKSQKX-LLVKDONJSA-N	281.375	1.896	10	20	CDCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NCCC(N)=O	819376757	ITYXWUVDGILXSS-LBPRGKRZSA-N	263.385	1.457	10	20	CDCD	
C[C@@H](N[C@H]1CCNC1)c1cc([N+](=O)[O-])ccc1O	817944519	FRXICLUAGLVURJ-BDAKNGLRSA-N	251.286	1.313	10	20	CDCD	
CC(C)[C@H](O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	813525575	WCMIVMXMOOODMJ-RISCZKNCSA-N	264.369	1.947	10	20	CDCD	
COC[C@]1(CN[C@@H](C)c2ccc(F)cc2O)CCCN1	817973029	BAYOTWRREKIORA-XHDPSFHLSA-N	282.359	1.951	10	20	CDCD	
O=C(NCc1ccccc1O)c1cc2n(n1)CCCC2	825664312	COKZKCZMYAKUHJ-UHFFFAOYSA-N	271.320	1.855	10	20	CDCD	
C[C@@H](CN)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	829002866	GFPVHGRORRFVOC-GXTWGEPZSA-N	292.379	1.495	10	20	CDCD	
O[C@H]1C[C@@H](NCc2ccc(N3CCOCC3)c(F)c2)C1	825256832	JHAMVIZKLHXRGG-BETUJISGSA-N	280.343	1.275	10	20	CDCD	
COc1ccc(CNC(=O)c2nn(C)cc2C)c(O)c1	839746880	BVXBVJWGXBJHSH-UHFFFAOYSA-N	275.308	1.373	10	20	CDCD	
O=C(N[C@H](C1CC1)[C@@H](CO)C1CC1)c1cc(O)cs1	834020243	GNGJLMSCPCNZHI-WCQYABFASA-N	281.377	1.981	10	20	CDCD	
C[C@H](OC(=O)c1cc(O)cs1)C(=O)C1CCOCC1	837515099	RAYXBGZNINDWDI-QMMMGPOBSA-N	284.333	1.995	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCN(CC2CC2)CC1	731870866	PILQNRFACPLIPX-UHFFFAOYSA-N	266.366	1.622	10	20	CDCD	
CCC(=O)N(CC(=O)O)Cc1cc(Cl)ccc1O	911353097	GXDGMKQJMGHIST-UHFFFAOYSA-N	271.700	1.869	10	20	CDCD	
Cn1cccc1CNC(=S)NCCc1cccnc1	743062227	WCTBKFTWAQFMGF-UHFFFAOYSA-N	274.393	1.627	10	20	CDCD	
Cc1cc(O)c(CN[C@@H]2CCCN(C)C2=O)cc1C	748242543	PBTRYYWIRTTZIK-CYBMUJFWSA-N	262.353	1.719	10	20	CDCD	
CC[C@H](C)[C@@H](O)CNC(=O)NCCc1ccc(N)cc1	841954022	HPLDKEKDDOISMC-FZMZJTMJSA-N	279.384	1.518	10	20	CDCD	
CN(C)c1ccc([C@H](N)CNCc2ccncc2)cc1	841043690	QCJJRUKVRMUEFQ-MRXNPFEDSA-N	270.380	1.937	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2CCN[C@H](C)[C@@H]2C)c1O	843056984	DODWSTZIOFOBBC-ZJUUUORDSA-N	295.339	1.491	10	20	CDCD	
CCOc1ccc(CN2CCNC[C@H]2C)c(O)c1	843047992	HBAOENONSFOPSF-LLVKDONJSA-N	250.342	1.585	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1CCO[C@@H](CN)C1	843066345	VIMRIANYSCNRIL-HNNXBMFYSA-N	263.385	1.221	10	20	CDCD	
CN(C)c1ccc([C@H](N)CN[C@H]2CCCNCC2)cc1	841042694	MKFQYCWEEWPART-GOEBONIOSA-N	276.428	1.484	10	20	CDCD	
Oc1ccc(Cl)cc1CNC[C@H]1CNCCO1	841098886	JXSDAWCPIXPLFR-LLVKDONJSA-N	256.733	1.124	10	20	CDCD	
CN(CCC1CC1)Cc1cc(O)n2ncc(C(=O)O)c2n1	846255621	KAOMVUBRSYONCA-UHFFFAOYSA-N	290.323	1.365	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1CCN2C(=O)NC[C@H]2C1	840921875	HFUIFISPUOJARW-HNNXBMFYSA-N	288.395	1.270	10	20	CDCD	
CN(C[C@@H](O)C(F)(F)F)C(=O)c1cc(O)cs1	758481435	SZFOWISPRDRMHM-SSDOTTSWSA-N	269.244	1.449	10	20	CDCD	
CCOc1cccc(CN[C@H](C)C(=O)N(C)OC)c1O	858325445	YFJJVPQMOQUUAS-SNVBAGLBSA-N	282.340	1.289	10	20	CDCD	
CCOc1ccc(CN2CCC(O)CC2)c(O)c1	768183150	MSEWCBOGCGXBGM-UHFFFAOYSA-N	251.326	1.748	10	20	CDCD	
CCOC(=O)N1CC[C@@H](NCc2c(O)cccc2OC)C1	769935733	QBRIHGARBJWXCF-LLVKDONJSA-N	294.351	1.721	10	20	CDCD	
O=C(N[C@H]1CCCCC12OCCO2)c1cc(O)cs1	764919041	LJDYCYLEIYYUBY-NSHDSACASA-N	283.349	1.869	10	20	CDCD	
C[C@@H](N[C@@H]1CCOC[C@H]1O)c1ccc(N(C)C)cc1	872142393	SQQYSWKKTSWEGT-KCPJHIHWSA-N	264.369	1.553	10	20	CDCD	
CSCC[C@@H](N)C(=O)N(C)c1ccc(N)cc1	877077710	RUGPPKLUSRSKSA-LLVKDONJSA-N	253.371	1.312	10	20	CDCD	
CC[C@]1(O)CCN(c2cc(OC)c(OC)cc2[N+](=O)[O-])C1	777840465	WYHGKXJAKSQTTK-AWEZNQCLSA-N	296.323	1.963	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2CC[C@H](C)[C@H]2CO)c1O	775108862	OUZGPUISIMPLGS-JOYOIKCWSA-N	296.323	1.512	10	20	CDCD	
O=C(NC[C@@H]1C=CCC1)c1c(F)ccc(O)c1O	881498277	LOENHMSRQIAQJY-MRVPVSSYSA-N	251.257	1.933	10	20	CDCD	
COC(=O)Cc1cn(Cc2ccc(N(C)C)cc2)nn1	881270815	AQDBZRCMCRJJFC-UHFFFAOYSA-N	274.324	1.108	10	20	CDCD	
Cc1n[nH]c(C)c1CC(=O)NCc1ccc(O)c(O)c1	787131042	FXUJNNHDTBNQOB-UHFFFAOYSA-N	275.308	1.297	10	20	CDCD	
CCOc1ccc(N2CCN(CCOC)CC2)cc1	1209214967	JVBHHFHDOVCEOM-UHFFFAOYSA-N	264.369	1.854	10	20	CDCD	
COc1cc(C)cc(CN[C@@H]2COC[C@H]2C)c1O	896732881	LKZUGQBDHZFVCI-ZYHUDNBSSA-N	251.326	1.834	10	20	CDCD	
Cc1ccc(O)c([C@H](C)NCC2(CO)COC2)c1	186146099	SCSKEVNJIATUIE-NSHDSACASA-N	251.326	1.360	10	20	CDCD	
CCc1cccc(CNCCC[S@](C)=O)c1O	691520515	DJXIUJVJEBVSMR-KRWDZBQOSA-N	255.383	1.813	10	20	CDCD	
O[C@H]1C[C@H](CNCc2ccc(N3CCOCC3)cc2)C1	720991517	CPUGVZXUVFCYNU-KOMQPUFPSA-N	276.380	1.384	10	20	CDCD	
CC(C)OC(=O)[C@@H](C)CNC(=O)NCc1ccc(N)cc1	1335516631	ABPFKHFLJLMUNA-NSHDSACASA-N	293.367	1.656	10	20	CDCD	
CC[C@H](CCO)CNC(=O)NCc1ccc(N)cc1	1338793474	QDDPQMVKDHNSGC-LLVKDONJSA-N	265.357	1.477	10	20	CDCD	
COc1ccc(CN[C@H](CCC(=O)O)C(=O)O)cc1C	1331994699	JIQAJEWSPFNJTI-LLVKDONJSA-N	281.308	1.411	10	20	CDCD	
Cc1noc(C)c1CCC(=O)NCc1cccc(O)c1O	1347234378	NISOQWWHVYWLGM-UHFFFAOYSA-N	290.319	1.952	10	20	CDCD	
CN(CCC(N)=O)Cc1ccc(N2CCCC2)cc1	1343282757	DZYRXKHEOLYFBG-UHFFFAOYSA-N	261.369	1.594	10	20	CDCD	
CC[C@H](O)CCN[C@@H](C)c1cc(C(=O)O)ccc1O	1605111847	RZVPWXZILSSTLP-ONGXEEELSA-N	267.325	1.902	10	20	CDCD	
O=C(O)C[C@@H](NC(=O)c1cccc(O)c1O)C1CCCC1	1601906441	YLOHHRXRWMEGEO-LLVKDONJSA-N	293.319	1.861	10	20	CDCD	
CC(C)(CNCc1cc(F)ccc1O)S(C)(=O)=O	226613322	BGWODTYEDLWZCP-UHFFFAOYSA-N	275.345	1.444	10	20	CDCD	
CN1CCC[C@@H]1CNCc1cc2c(cc1O)OCO2	227440321	VJAPLELAQWPQHJ-LLVKDONJSA-N	264.325	1.305	10	20	CDCD	
CCOC(=O)CN(Cc1ccccc1O)CC(C)(C)N	1577951347	MRIFZNQRXFTHIS-UHFFFAOYSA-N	280.368	1.495	10	20	CDCD	
CCc1cccc(CN2CC[C@H](N3CCNCC3)C2)c1O	1578266391	HUXYFCXMRQNGQX-INIZCTEOSA-N	289.423	1.434	10	20	CDCD	
Cc1nc(CNC(=O)c2cccc(O)c2O)oc1C	230102798	OVFVYCLSDCSNOJ-UHFFFAOYSA-N	262.265	1.633	10	20	CDCD	
N[C@@H]1CCCCC[C@@H]1C(=O)NCc1cc(O)ccc1O	1580368208	MVNBBHLCJRAGDR-QWHCGFSZSA-N	278.352	1.622	10	20	CDCD	
O=C(O)C1CN(C(=O)c2cc3cc(O)c(O)cc3s2)C1	1594948540	FFUCOPOHGSQSBD-UHFFFAOYSA-N	293.300	1.469	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2cccc(F)n2)c1	158442702	GOTWUZBSIZIKRC-UHFFFAOYSA-N	276.267	1.865	10	20	CDCD	
CCOC(=O)C(C)(C)NC(=O)Cc1ccc(N)cc1	155502510	WRGHTTVMZDPSGJ-UHFFFAOYSA-N	264.325	1.269	10	20	CDCD	
Oc1ccc(CCNc2cnnc(O)c2Cl)cc1O	811811410	SPSPGYUCZPUQIP-UHFFFAOYSA-N	281.699	1.901	10	20	CDCD	
CCOc1cccc(CN(C)C[C@H]2COCCO2)c1O	827139724	CYTIYPLJGKMWGL-ZDUSSCGKSA-N	281.352	1.638	10	20	CDCD	
CN1C[C@@H](N(C)Cc2cc(F)ccc2O)CCC1=O	862428985	YZDXXZYRVQDXKD-LBPRGKRZSA-N	266.316	1.584	10	20	CDCD	
CCCN(CC(N)=O)Cc1cc(Cl)cc(C(C)=O)c1O	312672235	JDRPGYVMNXIJLR-UHFFFAOYSA-N	298.770	1.946	10	20	CDCD	
Oc1cccc2c1[C@H](NCCCn1cncn1)CC2	381701042	OUSQLOQSEGBIHB-GFCCVEGCSA-N	258.325	1.651	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@H]2C[C@@H]3CC[C@H]2N3)cc1	1121982852	VRBLESQCPHFDQT-NWANDNLSSA-N	273.380	1.509	10	20	CDCD	
CN(C(=O)CO[C@H]1CCOC1)c1ccc(N)cc1	110525076	OUCLLBBBMYXILR-LBPRGKRZSA-N	250.298	1.037	10	20	CDCD	
CC(=O)NCc1ccc(N2CCOCC2)c(F)c1	55522894	MXHNSCODRMCFIX-UHFFFAOYSA-N	252.289	1.298	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)[C@H]1C[C@@H]1C1CC1	122542043	QACFHSNTSYWLNB-NEPJUHHUSA-N	261.321	1.803	10	20	CDCD	
Cc1cc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)[nH]n1	183433479	RRLPJUGXKRJZSI-MRVPVSSYSA-N	275.308	1.490	10	20	CDCD	
C[C@H](NC[C@@H]1CN(C)CCO1)c1ccc(F)c(F)c1O	187774657	UVGHQCMYAOKYMC-VHSXEESVSA-N	286.322	1.652	10	20	CDCD	
COCCCN(CCO)Cc1cccc(Cl)c1O	188932244	GGQFJQBYGLMCBW-UHFFFAOYSA-N	273.760	1.876	10	20	CDCD	
O=C(CC1(O)CCCCC1)NCc1ccc(O)c(O)c1	130005847	LBNQEXCQNRNWGB-UHFFFAOYSA-N	279.336	1.799	10	20	CDCD	
CCNC(=O)CSc1ncc(C(=O)OC)s1	295258533	IHJBUZQQJDEESZ-UHFFFAOYSA-N	260.340	1.158	10	20	CDCD	
CC(=O)c1cc(C(=O)NCCc2ccc(N)cc2)n(C)c1	236650988	CBCPBYAWKPWWDK-UHFFFAOYSA-N	285.347	1.782	10	20	CDCD	
COc1cccc(CNC(=O)NC[C@@H]2CCCCO2)c1O	266701938	GRMKLUMPOYLDKD-LBPRGKRZSA-N	294.351	1.769	10	20	CDCD	
COC(=O)CCCCCCNC(=O)c1cccc(O)c1O	274892962	MJJHSKJQGAAZFA-UHFFFAOYSA-N	295.335	1.951	10	20	CDCD	
Cc1ccc(O)c(CN[C@@H](C)C(=O)NCCF)c1	282707221	PHZLLEQWQOOYHK-JTQLQIEISA-N	254.305	1.264	10	20	CDCD	
CC(=O)C(=O)COC(=O)c1cc(Cl)ccc1F	808490771	JFWPVXWXESKCLV-UHFFFAOYSA-N	258.632	1.794	10	20	CDCD	
Cc1cnc(COC(=O)/C=C/c2ccc(O)c(O)c2)nc1	808529867	WYOOPXDFGVTHRJ-HWKANZROSA-N	286.287	1.953	10	20	CDCD	
CN(C)c1nc(NCc2cc([N+](=O)[O-])ccc2O)n[nH]1	818214490	AZAXUXJDFKSCFK-UHFFFAOYSA-N	278.272	1.097	10	20	CDCD	
CC[C@H]1CN(C)CCN1C(=O)c1ccc(C)c(O)c1O	818977861	NMOHCPSNWZRXGC-NSHDSACASA-N	278.352	1.572	10	20	CDCD	
C[C@@H](Cc1cnccn1)NCc1cc([N+](=O)[O-])ccc1O	725848892	BXDFFCMUZIZMGC-JTQLQIEISA-N	288.307	1.811	10	20	CDCD	
NC(=O)[C@H]1CCCC[C@H]1NC(=O)c1cc(O)cs1	829689732	YPCFBDMAMHHPNL-DTWKUNHWSA-N	268.338	1.228	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1C[C@]12CCNC2	825942879	NLXOCWMLWBHQOK-RDJZCZTQSA-N	287.407	1.711	10	20	CDCD	
O=C(CSC(F)(F)F)NCc1ccc(O)cc1O	910952164	QZFQIECSWNYPKG-UHFFFAOYSA-N	281.255	1.967	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCCOCC1	734687251	PXCHJDCLJARVRF-UHFFFAOYSA-N	291.395	1.993	10	20	CDCD	
Nc1ccc(Cc2noc(CN3CCCC3=O)n2)cc1	843160505	YYDPCCOQMNFNST-UHFFFAOYSA-N	272.308	1.365	10	20	CDCD	
CCc1cccc(CNCc2nnn(C(C)(C)C)n2)c1O	848923670	OSUYTINXVVWORY-UHFFFAOYSA-N	289.383	1.986	10	20	CDCD	
CN(C)c1ccc(CNCC[C@@]2(O)CCCOC2)cc1	846109914	KOZDDPJKZQPPLK-INIZCTEOSA-N	278.396	1.774	10	20	CDCD	
CSC1(C(=O)NCc2ccc(O)cc2O)CC1	910947748	LVVDZMAWBIVRQL-UHFFFAOYSA-N	253.323	1.610	10	20	CDCD	
COc1cccc(CNC(=O)NC[C@H]2CCCCN2)c1O	841921413	WEYORKSWZPJBIY-GFCCVEGCSA-N	293.367	1.342	10	20	CDCD	
COc1ccc(N(C)CCN(C)C[C@@H]2CCNC2)cc1	846226011	WKXRXODWVQCQLF-CQSZACIVSA-N	277.412	1.673	10	20	CDCD	
O=C(C[C@@H]1CCCOC1)NCc1ccc(O)cc1O	910946575	QPSJQLBVUYNZOQ-JTQLQIEISA-N	265.309	1.531	10	20	CDCD	
C[C@@H](NC(=O)NCc1cc(Cl)ccc1O)C(=O)N(C)C	844889249	BUNJWCNJDWFCSG-MRVPVSSYSA-N	299.758	1.322	10	20	CDCD	
CCCC1=NN(C2=NS(=O)(=O)c3ccccc32)C(=O)C1	917348397	WAVDSXPHIREUSM-UHFFFAOYSA-N	291.332	1.524	10	20	CDCD	
O=C(O)CN(Cc1ccccc1O)C(=O)C[C@@H]1CCOC1	911487474	VTEOHLHCIZMMOA-NSHDSACASA-N	293.319	1.232	10	20	CDCD	
COC[C@@]1(CNCc2cc(Cl)ccc2O)CCCN1	841066599	DDVCDBHGRBZFLT-AWEZNQCLSA-N	284.787	1.904	10	20	CDCD	
COC[C@H](N)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	843484861	FAFCKMFEPSBWKY-HNNXBMFYSA-N	293.411	1.463	10	20	CDCD	
COCCN(Cc1ccc(N(C)C)cc1C)[C@H](C)C(N)=O	840914839	ZPEWLBQPVDWRDZ-CYBMUJFWSA-N	293.411	1.383	10	20	CDCD	
CCCN(CCC)C(=O)C(=O)NCCc1ccc(N)cc1	842238034	HRITZISWNYVGCO-UHFFFAOYSA-N	291.395	1.576	10	20	CDCD	
Cc1cc(CN2CCO[C@@H]([C@@H](C)N)C2)ccc1N(C)C	923297435	PFADTKYYUGAEEY-CZUORRHYSA-N	277.412	1.609	10	20	CDCD	
CCN(CC)c1ccc(CN(C)Cc2nnnn2C)cc1	750282064	LPDLZBMHTXQAJL-UHFFFAOYSA-N	288.399	1.688	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)CNC(=O)C1CC1	935946951	QAASSFWDBYGYQZ-UHFFFAOYSA-N	297.351	1.020	10	20	CDCD	
CCNC(=O)CN(CC)Cc1ccc(OCC)cc1O	768193322	KGAYRAZWEWQZFD-UHFFFAOYSA-N	280.368	1.749	10	20	CDCD	
CO[C@H]1C[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2)C1	863671086	WFSNOBWYDDFBFD-FWYRTDKUSA-N	263.293	1.405	10	20	CDCD	
Cc1ccc(CNCC[C@]2(O)CCCOC2)c(O)c1	877613826	CEVCFVJVYOZFNE-OAHLLOKOSA-N	265.353	1.722	10	20	CDCD	
Cc1cccc(O)c1CN1CCC[C@@H](N2CCNC2=O)C1	876624983	NFNLYYULNQPSPL-CYBMUJFWSA-N	289.379	1.690	10	20	CDCD	
CCN1CCN([C@H](C)CNCc2ccc(C)cc2O)CC1	876931593	QCKQPHNDYZECNN-OAHLLOKOSA-N	291.439	1.816	10	20	CDCD	
COC(=O)[C@@H]1C[C@@H]1C(=O)N[C@H](C)c1ccc(N(C)C)cc1	773028437	ZQHPHJYWHANZHO-DDTOSNHZSA-N	290.363	1.739	10	20	CDCD	
Cc1ccc(C(=O)N2CCCC[C@@H]2CO)c(O)c1O	1116516486	HFMFBFURFCYSSX-SNVBAGLBSA-N	265.309	1.393	10	20	CDCD	
COC(=O)c1cc(CNCc2ccc3c(c2)CCO3)on1	876995669	HTPJCTGGGAHPED-UHFFFAOYSA-N	288.303	1.686	10	20	CDCD	
CCOc1cc(C(=O)N(C)Cc2ccccc2O)[nH]n1	1118669211	MDKZNRFKHCQEHH-UHFFFAOYSA-N	275.308	1.786	10	20	CDCD	
COC(=O)CCN[C@@H](C)c1ccc(N2CCOCC2)cc1	775620373	YAFXKQWYJVKYES-ZDUSSCGKSA-N	292.379	1.737	10	20	CDCD	
CN(CCN1CCOC(C)(C)C1)Cc1ccccc1O	789765772	RPZZMCBAQOISBT-UHFFFAOYSA-N	278.396	1.935	10	20	CDCD	
C[C@H](NC(=O)N1C[C@@H](O)C[C@H]1C)c1ccc(N(C)C)cc1	788320476	QMJXQWJLWOXTPC-XUJVJEKNSA-N	291.395	1.978	10	20	CDCD	
C[C@H]1C[C@H](O)CN1Cc1cc2c(cc1O)OCO2	788269003	JZQBNJSQLOMDLY-WPRPVWTQSA-N	251.282	1.076	10	20	CDCD	
OC[C@]12C[C@H]1CN(Cc1cc(F)cc(F)c1O)C2	894535468	UCOAGYDVHWYMIJ-TVQRCGJNSA-N	255.264	1.485	10	20	CDCD	
C[C@H](O)C[C@H](C)NC(=O)/C=C/c1ccc(O)c(O)c1	783628136	LWKDOSKCQJKGGJ-ROSDIQCESA-N	265.309	1.387	10	20	CDCD	
COc1ccc(CNCCCCO)c(O)c1OC	894081804	FFHSQYBKEWCIHO-UHFFFAOYSA-N	255.314	1.272	10	20	CDCD	
Cc1cc(C)c(O)c(CN2CC[C@H](CS(C)(=O)=O)C2)c1	793710336	RWBJNEWVGXJEMI-ZDUSSCGKSA-N	297.420	1.876	10	20	CDCD	
C[C@@]1(C(=O)NCc2cccc(O)c2O)C[C@H]2CC[C@H]1O2	1347233859	KKVKXJCATGQQGL-IXPVHAAZSA-N	277.320	1.672	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N[C@H]1C[C@@H](C(=O)O)C1	1605668760	VTTTXSAZGIPXFJ-XXIYDDFUSA-N	277.276	1.090	10	20	CDCD	
C[C@H](NC[C@](C)(O)C(=O)O)c1ccc(N(C)C)cc1	1604331589	CPJYHDMTCZPYDH-HZMBPMFUSA-N	266.341	1.239	10	20	CDCD	
Cc1ccc(C(=O)Nc2nn(C)cc2C(=O)O)c(O)c1O	1607734205	IQUODXAMVGNGGL-UHFFFAOYSA-N	291.263	1.090	10	20	CDCD	
CC[C@](C)(NCc1ccc(N2CCOCC2)cc1)C(=O)O	1604913372	VJJQTIMDTLEHKC-INIZCTEOSA-N	292.379	1.866	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CSCCC(=O)O)cc1	1604091312	XAWWCIHVPSXVPC-UHFFFAOYSA-N	296.392	1.577	10	20	CDCD	
CNCCC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C	1573901885	IUYNLWXZXFJEGF-ZDUSSCGKSA-N	277.412	1.718	10	20	CDCD	
C[C@@H](N[C@@H]1C=C[C@H](CO)C1)c1cc(C(=O)O)ccc1O	1593353369	UQCJUUZMNBXXSY-JFGNBEQYSA-N	277.320	1.678	10	20	CDCD	
C[C@H](N[C@H]1CO[C@H](C)C1)c1cc(C(=O)O)ccc1O	1594260684	FHCNICLUHMYTDY-WCABBAIRSA-N	265.309	1.918	10	20	CDCD	
C[C@@H]1C[C@H]1[C@H](NCc1cc([N+](=O)[O-])ccc1O)C(=O)O	1776602631	OLTJRSWVOQWRDP-XXFPWJFMSA-N	280.280	1.499	10	20	CDCD	
C[C@@H](CNCc1ccc(N2CC[C@H](O)C2)cc1)C(=O)O	1776425281	FECBZILWNRHUCJ-FZMZJTMJSA-N	278.352	1.068	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2ccc(C(N)=O)cc2)cc1	15135130	NCJWLWSRERPPMU-UHFFFAOYSA-N	297.358	1.782	10	20	CDCD	
CC(C)N1CC[C@@H](N(C)C(=O)c2cccc(O)c2O)C1	837187790	BJRSYVGNQMABAJ-LLVKDONJSA-N	278.352	1.653	10	20	CDCD	
COc1cccc(CNCCCN2CCCC2)c1O	20129022	UZXHEAWPIYZDHL-UHFFFAOYSA-N	264.369	1.976	10	20	CDCD	
C[C@@H](Cn1ccnc1)NCc1cc2c(cc1O)OCO2	42880085	SWZXYVCPMIYEMP-JTQLQIEISA-N	275.308	1.496	10	20	CDCD	
COC[C@H]1CCCCN1C(=O)c1cccc(O)c1O	307765810	CFWJPHVBNMXNJD-SNVBAGLBSA-N	265.309	1.739	10	20	CDCD	
COc1cccc(CNC(=O)Cc2ccccc2O)c1O	105650457	JCOAFLDOECXLOJ-UHFFFAOYSA-N	287.315	1.965	10	20	CDCD	
COCC[C@](C)(O)CNCc1cc([N+](=O)[O-])ccc1O	172072146	BDQLWRCLPKBLBS-ZDUSSCGKSA-N	284.312	1.178	10	20	CDCD	
CN(C)CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	117974641	JZPLXOYRXAILRZ-AWEZNQCLSA-N	292.379	1.461	10	20	CDCD	
CC[C@H](C)OCC(=O)N[C@H](C)Cc1ccc(O)c(O)c1	185389910	VWYDIXFGJFOGAK-MNOVXSKESA-N	281.352	1.960	10	20	CDCD	
CCN(CC)c1ccc(CN[C@@]2(CO)CCOC2)cc1F	184196961	XKZBMPBIZWXODI-MRXNPFEDSA-N	296.386	1.913	10	20	CDCD	
O=C(NCc1ccccc1O)c1n[nH]c(=O)c2ccccc12	318835224	XOQLXBWHVBTBIN-UHFFFAOYSA-N	295.298	1.559	10	20	CDCD	
CCOCCCNC(=O)NCc1ccc(N(C)C)cc1	31726713	HRLOYZPOTIDGQD-UHFFFAOYSA-N	279.384	1.978	10	20	CDCD	
COCCNC(=O)N1CCOc2cc(N(C)C)ccc21	180749296	FZISHLRJSLDZTL-UHFFFAOYSA-N	279.340	1.307	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NCc1ccccn1	180584478	HMEWSHKQURXPKP-FNORWQNLSA-N	270.288	1.822	10	20	CDCD	
COc1ccc(N(C)CC(=O)N2CCCC2)cc1F	131435009	NDUPNZNGJRHMFO-UHFFFAOYSA-N	266.316	1.893	10	20	CDCD	
C[C@@H](N)[C@@H]1CN(Cc2cc(F)ccc2O)CCO1	220330893	JPVANDYIRPXECW-RNCFNFMXSA-N	254.305	1.079	10	20	CDCD	
Cc1ccc(C(=O)NCc2ccccn2)c(O)c1O	146205630	MSXRHLXPBJKWLR-UHFFFAOYSA-N	258.277	1.731	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccn(C)n1	608250482	ORQUZDDYOKDXCW-UHFFFAOYSA-N	286.335	1.525	10	20	CDCD	
CC(C)N1C[C@H](NC(=O)NCc2ccccc2O)CC1=O	267766060	WZZNHXPTXJFXGG-GFCCVEGCSA-N	291.351	1.201	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)NCCCCO)c1	279517363	OAVMHXQLUFQADT-JTQLQIEISA-N	267.325	1.602	10	20	CDCD	
CN(C)c1ccc(CN2C[C@@H]3[C@@H](CO)[C@@H]3C2)cc1F	368348564	MWUGNMYKGMYHGZ-ITGUQSILSA-N	264.344	1.562	10	20	CDCD	
CN(C)c1ccc(CN2CCC[C@H](CC(N)=O)C2)cc1F	271191268	QGTODGPTWGAYFY-GFCCVEGCSA-N	293.386	1.979	10	20	CDCD	
CC[C@@H](NCC1(CO)COC1)c1ccc(F)cc1O	286011077	IDARCTUECXEKQV-GFCCVEGCSA-N	269.316	1.581	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@H](C)CF)c1O	290149086	LAFSETJHNVZMFX-SSDOTTSWSA-N	258.249	1.757	10	20	CDCD	
C[C@@H](NC(=O)CNC(=O)C1CC1)c1ccccc1O	827930852	SGQZKBOQISIHJH-SECBINFHSA-N	262.309	1.096	10	20	CDCD	
CCOc1cccc(CN(C)C2(CO)CC2)c1O	827903063	AKZPJKWOCJUQTR-UHFFFAOYSA-N	251.326	1.748	10	20	CDCD	
Cc1cc(O)c(CN2CC[C@H](O)[C@H](CO)C2)cc1Cl	826123028	CQEHHTFZHVFDHN-AAEUAGOBSA-N	285.771	1.529	10	20	CDCD	
C[C@H](N[C@H]1CCc2cccc(O)c21)[C@H]1CN(C)CCO1	834685490	XNCVODUOSDWKDC-CORIIIEPSA-N	276.380	1.688	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2C[C@H]2C(=O)O)c1	738041442	JUSVCIQVGNFFQH-WHGOUJPWSA-N	279.292	1.299	10	20	CDCD	
COc1cccc(O)c1CN[C@@H]1CC[C@H](CN)C1	841085323	ZHVSJUFVFZOOCH-WDEREUQCSA-N	250.342	1.618	10	20	CDCD	
Nc1ccc(CC(=O)Nc2cncnc2N2CCCC2)cc1	843490916	GUJRXKDZMPDFKD-UHFFFAOYSA-N	297.362	1.840	10	20	CDCD	
C[C@@H](C[C@@H](C)N)NCc1cc2c(cc1O)OCO2	843129909	UFNGROQCBLWRMK-BDAKNGLRSA-N	252.314	1.336	10	20	CDCD	
Nc1ccc(CCN[C@@H]2CC[C@H]3CNC[C@H]3C2)cc1	843126098	NHXJRIRYBORWJD-SQWLQELKSA-N	259.397	1.789	10	20	CDCD	
Oc1ccc(Cl)cc1CNC[C@@H]1CNCCO1	841098887	JXSDAWCPIXPLFR-NSHDSACASA-N	256.733	1.124	10	20	CDCD	
CCn1cnnc1CNC(=O)NCc1ccccc1O	748450079	FVWSBZXPAAMYRJ-UHFFFAOYSA-N	275.312	1.003	10	20	CDCD	
CCCS(=O)(=O)NC[C@@H](N)c1ccc(N(C)C)cc1	842786141	ZWTWLHRJZVKWJM-CYBMUJFWSA-N	285.413	1.082	10	20	CDCD	
Oc1ccccc1CN(C[C@@H]1CCCO1)C[C@@H]1CCNC1	843356399	MWEBEJLKGJITMZ-ZBFHGGJFSA-N	290.407	1.983	10	20	CDCD	
CC[C@H](C)NC(=N)NCc1ccc(OC)cc1O	849025146	PTQHYKVIWVFORL-VIFPVBQESA-N	251.330	1.813	10	20	CDCD	
C=CC(=O)N(CC)CC(=O)NCc1cc(C)ccc1O	913000397	IMSLJZPBMRXUQH-UHFFFAOYSA-N	276.336	1.351	10	20	CDCD	
CCN(CCC(=O)OC)C(=O)c1cc(O)cs1	748320401	LZADAFJFROKWPH-UHFFFAOYSA-N	257.311	1.479	10	20	CDCD	
C[C@H]1CN(Cc2cc3c(cc2O)OCO3)CC[C@@H]1N	843053213	ZGYXZUBKGSYPPR-ONGXEEELSA-N	264.325	1.290	10	20	CDCD	
CC1(C)OCC(C)(C(=O)NCc2ccc(O)cc2O)CO1	910949996	RTRRNVYXOKODRR-UHFFFAOYSA-N	295.335	1.503	10	20	CDCD	
Cn1nnc2c1CC[C@@H](NCc1ccc3c(c1)CCO3)C2	848567204	QTJDTICBEJNFHC-CYBMUJFWSA-N	284.363	1.397	10	20	CDCD	
Nc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)C2CC2)cc1	843255711	CJWYTEPWOWDPFZ-AWEZNQCLSA-N	287.363	1.286	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H]2CC[C@H](CN)C2)c1O	841084968	RCKMOYHQUSGVMN-GXSJLCMTSA-N	295.339	1.526	10	20	CDCD	
CC(C)(CCCO)CNC(=O)NCCc1ccc(N)cc1	841869365	PGCXMRSSKPUKSQ-UHFFFAOYSA-N	293.411	1.909	10	20	CDCD	
CCn1ccc(C(=O)NCc2cc(OC)ccc2O)n1	843831249	NZOVJUQAVSHDLN-UHFFFAOYSA-N	275.308	1.547	10	20	CDCD	
CC(C)OCCN1CCN(C(=O)c2cc(O)cs2)CC1	748393520	ADHAUKBVGKSRFC-UHFFFAOYSA-N	298.408	1.637	10	20	CDCD	
CCC(CC)(CO)CNC(=O)NCCc1ccc(N)cc1	841961063	ZVHDWSSYMWKKMD-UHFFFAOYSA-N	293.411	1.909	10	20	CDCD	
CCOCc1cc(CNC2(C(=O)O)CC2)ccc1OC	841795173	NFQWMGRZLDRMTD-UHFFFAOYSA-N	279.336	1.939	10	20	CDCD	
OC[C@H]1CN(Cc2cc(Cl)ccc2O)CC[C@@H]1O	840975181	MDWWUYHRVGHJKJ-MFKMUULPSA-N	271.744	1.221	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)N[C@@H]2C(=O)NCC[C@@H]2C)c1	858424992	CJAYTWMRHCMRFG-GWCFXTLKSA-N	291.351	1.024	10	20	CDCD	
C[C@@H]1[C@H](CO)CCCN1C(=O)c1cc(O)cs1	854950409	JYLFPODBGJIQOE-BDAKNGLRSA-N	255.339	1.687	10	20	CDCD	
CCC(=O)NCc1ccc(N2CCC(O)CC2)cc1	856209637	WBHGXMRUWYDVJF-UHFFFAOYSA-N	262.353	1.674	10	20	CDCD	
C[C@@H](CCNC(=O)NCc1ccc(N(C)C)cc1)N(C)C	853244407	LMHZTTMQSMCQPB-ZDUSSCGKSA-N	292.427	1.892	10	20	CDCD	
CC[C@@H](C(=O)NCc1cc(C)ccc1O)N1CCCC1=O	862760235	OIXZLCFCMUSXCF-ZDUSSCGKSA-N	290.363	1.718	10	20	CDCD	
C[C@H](N[C@@H]1COC[C@@H]1O)c1cc(F)cc(F)c1O	866420589	QAOFIPSHAHVJFA-FZYJTZEISA-N	259.252	1.081	10	20	CDCD	
CC(=O)N[C@H](C(=O)NCc1cc(C)ccc1O)C(C)(C)C	862754764	JEYVGAZJZJQMST-CQSZACIVSA-N	292.379	1.868	10	20	CDCD	
C[C@@H](NC(=O)C(=O)OC(C)(C)C)c1ccccc1O	866161327	NGCTZCGJTJJOMM-SECBINFHSA-N	265.309	1.911	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)COc2cc(C)on2)c1	862759152	AAFDNYYABOOESZ-UHFFFAOYSA-N	276.292	1.692	10	20	CDCD	
CC(=O)NCC(C)(C)C(=O)N(C)c1ccc(N)cc1	877075120	ZMXBVTWTSNIMDY-UHFFFAOYSA-N	263.341	1.394	10	20	CDCD	
Nc1ccc(NC(=O)[C@@]2(C3CCCC3)CCNC2=O)cc1	876503687	CUMHGFHUTUYFLW-MRXNPFEDSA-N	287.363	1.904	10	20	CDCD	
COC1(CO)CCN(Cc2cc(F)ccc2O)CC1	775204858	RZWHJMJOXRNARD-UHFFFAOYSA-N	269.316	1.505	10	20	CDCD	
CCOC(=O)C1=NN(c2ccc3[nH]ncc3c2)C(=O)[C@@H]1C	871957495	HIEOJGSWRSMIBJ-MRVPVSSYSA-N	286.291	1.465	10	20	CDCD	
CCN[C@H](C)C(=O)NCc1ccc(N(C)C)cc1C	876767392	IIINXLDBQBHRRA-GFCCVEGCSA-N	263.385	1.675	10	20	CDCD	
CCOc1ccc(CNCC2(C(=O)OC)CC2)c(O)c1	777222809	SWQGERUVGBQSDP-UHFFFAOYSA-N	279.336	1.834	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N(CCO)CC1CC1	779537112	PQLNBINELXVYFX-GQCTYLIASA-N	277.320	1.342	10	20	CDCD	
C[C@H](NCC1(CO)COC1)c1c(O)cccc1F	886553567	PZRMFHQCQAIWGR-VIFPVBQESA-N	255.289	1.191	10	20	CDCD	
C[C@@H](N[C@@H]1CCCCNC1=O)c1c(O)cccc1F	886501402	JEXXTRBKQVSIFZ-MWLCHTKSSA-N	266.316	1.851	10	20	CDCD	
COC[C@@]1(CO)CCN(Cc2cc(F)cc(F)c2O)C1	894928068	HOYLCJFDANSCIP-AWEZNQCLSA-N	287.306	1.501	10	20	CDCD	
Oc1cc(Br)ccc1CNC[C@@H]1COCO1	894890166	RFSKWLSZHQDFRX-SNVBAGLBSA-N	288.141	1.617	10	20	CDCD	
COc1ccc(CN2C[C@@H](CO)C[C@@H](C)C2)c(O)c1OC	894974669	JBBHBKSZUYKGNF-NEPJUHHUSA-N	295.379	1.860	10	20	CDCD	
CCNC(=O)[C@H](C)NCc1cc(F)cc(F)c1O	708446038	ZALDSHQBYWDLDU-ZETCQYMHSA-N	258.268	1.285	10	20	CDCD	
CC[C@@H](C(N)=O)N1CCN(c2ccc(OC)cc2)CC1	61678891	JZXDVWQAZIVHRM-AWEZNQCLSA-N	277.368	1.081	10	20	CDCD	
CC[C@@H](COC)NC(=O)NCc1ccc(OC)cc1O	792954287	FADJTUMRVDJEBT-NSHDSACASA-N	282.340	1.625	10	20	CDCD	
C[C@@H](CCCNCc1cc([N+](=O)[O-])ccc1O)C(=O)O	1339009451	BFTUTDCHJDPISW-VIFPVBQESA-N	282.296	1.891	10	20	CDCD	
O=C(NCc1cccc(O)c1O)C1(O)CCCC1	1348046071	HQDOXUHNJNVKEC-UHFFFAOYSA-N	251.282	1.019	10	20	CDCD	
CN(C)c1ccc(CNC(=O)C(=O)NC/C=C\Cl)cc1	1262223027	IIUXLOSNAUHQQH-BAQGIRSFSA-N	295.770	1.238	10	20	CDCD	
C[C@@H](NC1COC(C)(C)OC1)c1cc(C(=O)O)ccc1O	1609782343	ZJBBWDAFZCLEMB-SECBINFHSA-N	295.335	1.893	10	20	CDCD	
Cc1ccc(O)c(CN[C@H](C)C(=O)NC(C)C)c1	228933901	CUGUDPAYJAOKOV-LLVKDONJSA-N	250.342	1.703	10	20	CDCD	
O=C(NCc1c(O)cccc1F)[C@H]1[C@H]2CCNC[C@H]21	1580707634	DACAXEPRHWSSFD-RWEMILLDSA-N	264.300	1.003	10	20	CDCD	
CN(Cc1cc(F)ccc1O)[C@H](COC1CCC1)C(=O)O	1598508511	MDFNFWVQAZWLHE-CYBMUJFWSA-N	297.326	1.985	10	20	CDCD	
CC1(C)[C@@H](NC(=O)Cc2ccc(N)cc2)[C@@H]2CCO[C@@H]21	159540637	CRWQJEYYLGSQDS-QEJZJMRPSA-N	274.364	1.741	10	20	CDCD	
C[C@]1(C(=O)NCCc2ccc(N)cc2)CC1(F)F	818545345	ZIUZDGJBXTVLHL-GFCCVEGCSA-N	254.280	1.973	10	20	CDCD	
C[C@@H](NCc1ccc2c(c1)CCCO2)c1ncn(C)n1	922034702	NTVLZDYOFJSJCM-LLVKDONJSA-N	272.352	1.991	10	20	CDCD	
Cc1cccc(O)c1CNC[C@@H](C)S(C)(=O)=O	877120671	LVGLFDHGHAEKSJ-SNVBAGLBSA-N	257.355	1.223	10	20	CDCD	
CS(=O)(=O)CCNCc1ccc(N2CCCC2)cc1	37740860	NFCSREJFBQJADH-UHFFFAOYSA-N	282.409	1.421	10	20	CDCD	
COc1cc(Cl)cc(CN2CCO[C@H](CN)C2)c1O	164662022	PJXCNLJTYPDHFD-LLVKDONJSA-N	286.759	1.214	10	20	CDCD	
COc1cccc(CNCCCCS(C)(=O)=O)c1O	692846370	QEZXPWLNSCTIOO-UHFFFAOYSA-N	287.381	1.315	10	20	CDCD	
COc1cc(Cl)cc(CN2C[C@@H](N)[C@H](C)C2)c1O	300083710	GJSNVLBIXRYNBH-LDYMZIIASA-N	270.760	1.833	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2CCC1OCCO1	125263050	FHYCEGXFQUEZMN-UHFFFAOYSA-N	278.352	1.714	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@H](O)c2ccccc2)c1	122636523	CHISXPUAZKUWAY-OAHLLOKOSA-N	287.315	1.751	10	20	CDCD	
CCCC(=O)NCc1ccc(N2CCOCC2)cc1	49740516	KNSSQGZPRPRQEQ-UHFFFAOYSA-N	262.353	1.940	10	20	CDCD	
CS[C@H](CO)[C@@H](C)NC(=O)/C=C/c1ccc(O)c(O)c1	272583204	FDAIUZHWVVOHFY-MKKOBCRBSA-N	297.376	1.340	10	20	CDCD	
CS(=O)(=O)NC[C@H]1CCCCN1Cc1ccccc1O	271284337	OSCVJOUVWRNNGU-CYBMUJFWSA-N	298.408	1.296	10	20	CDCD	
CC(C)OC(=O)[C@@H](C)N(C)C(=O)c1cccc(O)c1O	279245296	HMIBEGYIFBFSAI-SECBINFHSA-N	281.308	1.510	10	20	CDCD	
COCC1(O)CCN(Cc2cc(OC)ccc2O)CC1	271881384	VDHDLPCEVIEYLX-UHFFFAOYSA-N	281.352	1.374	10	20	CDCD	
C[C@@H](CCCCO)NCc1cc([N+](=O)[O-])ccc1O	272428692	NCONONBPPJNXDZ-JTQLQIEISA-N	268.313	1.941	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N1CCn2nccc21	803660183	YRDQXQRNBGNMTH-RQOWECAXSA-N	271.276	1.354	10	20	CDCD	
COC(=O)c1cnc(S[C@@H]2CCN(C)C2=O)s1	294917323	CATCIXPHJUECNX-ZCFIWIBFSA-N	272.351	1.253	10	20	CDCD	
OCCCN1CCC[C@@H](N[C@@H]2CCc3cccc(O)c32)C1	297193902	FOZHBGDDIRMHIB-HUUCEWRRSA-N	290.407	1.816	10	20	CDCD	
CN(C)c1ccc(CN2C(=O)[C@@H]3C[C@H](F)CN3C2=O)cc1	804143655	HLFBOCVMDJFPAC-AAEUAGOBSA-N	291.326	1.627	10	20	CDCD	
CO[C@@H](CNCc1cc([N+](=O)[O-])ccc1O)C1CC1	293145658	UOUIJMMUBBAVGQ-ZDUSSCGKSA-N	266.297	1.815	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNCC(F)F)c1O	298045052	HUOALDOKSISOSI-UHFFFAOYSA-N	262.212	1.664	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@@](C)(O)C2CCC2)c1	813488638	AYOMLTGHUAEHRT-HNNXBMFYSA-N	279.336	1.568	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)N[C@@H](CN)C2CC2)c1	817959277	FADFYZMGXJDHNC-RNCFNFMXSA-N	278.352	1.567	10	20	CDCD	
CC[C@@H](CS(=O)(=O)Nc1ccc(O)cc1C)OC	817354533	XOFXZLYNGBFNLI-NSHDSACASA-N	273.354	1.867	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@H]2CCN[C@@H](C)C2)c1	817970871	GNAFJKRNKBGUPO-GVXVVHGQSA-N	292.379	1.970	10	20	CDCD	
C[C@H]1C[C@H](NC(=O)NCc2ccccc2O)CO1	826035910	NQIQXQIBUASFMP-ONGXEEELSA-N	250.298	1.369	10	20	CDCD	
COC[C@H]1CN(C(=O)c2c(F)ccc(O)c2O)C[C@H](C)O1	829868829	TYLXTBZMCVAUTB-DTWKUNHWSA-N	299.298	1.113	10	20	CDCD	
C[C@@H](C(N)=O)N(C)c1ccc(/C=C/C(=O)O)cc1[N+](=O)[O-]	833407313	JPPFZJKPGGTENM-JQTRYQTASA-N	293.279	1.003	10	20	CDCD	
CO[C@@H]1COC[C@@H]1NCc1cc(Cl)cc(F)c1O	839191578	BDVFAQMUBZZMCS-WDEREUQCSA-N	275.707	1.688	10	20	CDCD	
O=C(CSc1nccs1)NCc1ccccn1	915656584	VPXAYYKCHJBIOX-UHFFFAOYSA-N	265.363	1.947	10	20	CDCD	
C[C@H](C(=O)NCc1ccc(O)cc1O)C(F)(F)F	910950098	CEPBAHPJYGPZPM-ZCFIWIBFSA-N	263.215	1.912	10	20	CDCD	
C[C@@H]1NC(=O)[C@@H](C)N(C(=O)c2cc(O)cs2)[C@@H]1C	911803028	MQQLXRJNIMGNSI-XLPZGREQSA-N	268.338	1.191	10	20	CDCD	
O=C1NC(=S)S/C1=C/c1cc(C(=O)O)ccc1O	740318296	ZNGNVFYCTKMNDM-XBXARRHUSA-N	281.314	1.579	10	20	CDCD	
COc1ccc(O)c(CN2CCN[C@@H](C(C)C)C2)c1	843104954	NXVJPSMHNFAZQH-CQSZACIVSA-N	264.369	1.831	10	20	CDCD	
CCC(=O)N[C@H](C)C(=O)NCc1ccc(N(C)C)cc1	915260192	VEQPNFLQGZLOGL-LLVKDONJSA-N	277.368	1.284	10	20	CDCD	
C[C@H](C(=O)O)N1CCOc2cc(N(C)C)ccc21	819895497	LEKQRLOJNJXFHX-SECBINFHSA-N	250.298	1.425	10	20	CDCD	
CCN1C[C@@H](CN[C@@H](C)c2ccccc2O)CC1=O	846209716	SMKXFTCBTJBBKZ-NWDGAFQWSA-N	262.353	1.911	10	20	CDCD	
COc1ccc(N(C)CCN(C)C(=O)NC[C@H](C)N)cc1	846173793	KLJDDQSPDLNKRH-LBPRGKRZSA-N	294.399	1.120	10	20	CDCD	
COc1ccc(N(C)CCN(C)C(=O)CC(C)(C)O)cc1	846442398	PNUDUOGNIGJQDJ-UHFFFAOYSA-N	294.395	1.751	10	20	CDCD	
COC(=O)[C@@H]1C[C@@H](C)CCN1C(=O)c1cccc(O)c1O	857328994	ALADIDAUSQGCKM-ONGXEEELSA-N	293.319	1.512	10	20	CDCD	
CC1(C)OCC(NC(=O)/C=C\c2ccc(O)c(O)c2)CO1	756707196	WRAVGWYGPWLCGW-XQRVVYSFSA-N	293.319	1.379	10	20	CDCD	
CCN1CCN(Cc2cc(C)cc(OC)c2O)CC1=O	758276581	NHYFIWZCDSVXFE-UHFFFAOYSA-N	278.352	1.373	10	20	CDCD	
CN1CCN(c2ccc(CNC/C=C/CO)cc2)CC1	850357548	NETRXSDOXHOAQF-NSCUHMNNSA-N	275.396	1.077	10	20	CDCD	
C[C@@H](CCNC(=O)c1c(F)ccc(O)c1O)N(C)C	857308234	LHWKJIKYJTVILQ-QMMMGPOBSA-N	270.304	1.307	10	20	CDCD	
CC(=O)c1cc(Cl)cc(CN2CCC[C@H]2C(N)=O)c1O	50133240	OQOLTGCMXXGEKW-LBPRGKRZSA-N	296.754	1.698	10	20	CDCD	
CC[C@H](N[C@@H]1COC[C@@H]1O)c1cccc(Cl)c1O	866420601	QHQXPXMHBQELLV-TUAOUCFPSA-N	271.744	1.846	10	20	CDCD	
CN(C)[C@H]1CCCN(Cc2cc3c(cc2O)OC[C@@H]3O)C1	768447069	QRCNXUNZDWQDFV-WFASDCNBSA-N	292.379	1.344	10	20	CDCD	
C[C@@H]1CC(F)(F)CCN1C(=O)C(=O)Nc1ccc(N)cc1	861520778	KGFIQLASCVKBFY-SECBINFHSA-N	297.305	1.854	10	20	CDCD	
CCOc1cccc(CN2CCC[C@H]2CNC)c1O	133087442	QMMQQGKVOHNMRP-ZDUSSCGKSA-N	264.369	1.975	10	20	CDCD	
COc1ccc(O)c(CN[C@@H](C)C[C@H]2CCCC(=O)N2)c1	877037300	ZQEJEXICOGAAOO-WCQYABFASA-N	292.379	1.938	10	20	CDCD	
Cc1cccc(O)c1CNCc1nnnn1CC1CC1	877400762	WWCQQQFSBLGDFV-UHFFFAOYSA-N	273.340	1.387	10	20	CDCD	
CCC(=O)N1CCC[C@H](C(=O)N(C)c2ccc(N)cc2)C1	877080508	KBDNJOWOOCDBJQ-LBPRGKRZSA-N	289.379	1.880	10	20	CDCD	
CCOC(=O)CC(=O)[C@H](C)OC(=O)c1cc(O)cs1	873359756	LXJPJAZTVOHUCS-ZETCQYMHSA-N	286.305	1.521	10	20	CDCD	
COCCOC1CN(Cc2ccc(N(C)C)cc2)C1	779432692	ZTSQREREMBCUKD-UHFFFAOYSA-N	264.369	1.600	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NOC[C@H]1CCOC1	788568719	CKBRSKHSVVTQNF-FWEMWIAWSA-N	279.292	1.195	10	20	CDCD	
C[C@H]1CN(Cc2ccc(N3CCC(O)CC3)cc2)C[C@@H]1O	897681279	ZXQWNNGKNCBOKK-GUYCJALGSA-N	290.407	1.460	10	20	CDCD	
O=C1OCCN1[C@H]1CCN(Cc2cc(F)cc(F)c2O)C1	895250997	FJBUUAUNCJNELJ-NSHDSACASA-N	298.289	1.697	10	20	CDCD	
CCN(CCC(=O)NC)Cc1cccc(OC)c1O	897709605	GOCQWOVLPLDFND-UHFFFAOYSA-N	266.341	1.359	10	20	CDCD	
CC(=O)N1C[C@@H]2CN(Cc3cc(F)cc(F)c3O)C[C@@H]2C1	895575152	FQAOYGASJVZQNB-TXEJJXNPSA-N	296.317	1.581	10	20	CDCD	
C[C@@H]1CN(Cc2cc3c(cc2O)OCO3)C[C@@H](C)S1=O	792193248	UJLVRKREZNDLSM-NXEZZACHSA-N	297.376	1.462	10	20	CDCD	
CCN1CCC[C@H](N[C@H]2CCc3cccc(O)c32)C1=O	722356439	PPGMXVSZTYNZIS-STQMWFEESA-N	274.364	1.980	10	20	CDCD	
CCOc1cccc(CN[C@@H]2COC[C@@H]2C)c1O	699842001	XLDVHUQBNZLYCR-CMPLNLGQSA-N	251.326	1.915	10	20	CDCD	
CC[C@]1(O)CCN(C(=O)c2cccc(O)c2O)C1	790944495	ZPTZWOUECBFCOE-ZDUSSCGKSA-N	251.282	1.085	10	20	CDCD	
COc1ccc(CNCCCNC(=O)CSC)cc1C	1154420687	FOWXUZVYFZFZNJ-UHFFFAOYSA-N	296.436	1.963	10	20	CDCD	
CCc1ncnc(N2CC=C(CCNC(C)=O)CC2)c1F	1089802163	HAALYOQCWGIDFW-UHFFFAOYSA-N	292.358	1.841	10	20	CDCD	
COC(=O)NC1CN(Cc2cc(C)c(C)cc2O)C1	1325502966	XKNSERVYMTWBNO-UHFFFAOYSA-N	264.325	1.549	10	20	CDCD	
Oc1cc2c(nn1)CCN(Cc1cc(F)cc(F)c1O)C2	1331994778	PSLKWENRXGKUSQ-UHFFFAOYSA-N	293.273	1.724	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@H]2C[C@@H]3CC[C@H]2N3)cc1F	1343408432	YWDUPUFASIPURM-OUCADQQQSA-N	291.370	1.648	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)NCCC(F)F	1353399033	GWUVHTHBNHVFKC-RQOWECAXSA-N	257.236	1.882	10	20	CDCD	
COc1cccc(O)c1CNCC[C@H](C)CCO	824515024	CTMJCXIAHLFXJT-NSHDSACASA-N	253.342	1.899	10	20	CDCD	
CC[C@@](C)(NCc1ccc(N2CCOCC2)cc1)C(=O)O	1604913373	VJJQTIMDTLEHKC-MRXNPFEDSA-N	292.379	1.866	10	20	CDCD	
COC(=O)/C(C)=C\CN(C)c1ccc(OCC(=O)O)cc1	1606321066	YWKKLSYFGBSHDT-FLIBITNWSA-N	293.319	1.706	10	20	CDCD	
Cc1cccc(CN2CCO[C@@H](CC(=O)O)C2)c1O	1600533202	KIMDOEAUOBKJRA-LBPRGKRZSA-N	265.309	1.376	10	20	CDCD	
CC(C)NC(=O)[C@@H](C)NCc1cc2c(cc1O)OCO2	228935066	PLLKTTWNOPOGLO-SECBINFHSA-N	280.324	1.124	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC[C@@H]1CCC2(CNC2)O1	1579617629	RDBVICFGUBGJGE-INIZCTEOSA-N	289.423	1.672	10	20	CDCD	
CC1(C)[C@@H](N)C[C@@H]1C(=O)N1Cc2cccc(O)c2C1	1576373449	UGCIUTFXPKNQOW-YPMHNXCESA-N	260.337	1.608	10	20	CDCD	
CC1(C)[C@@H]2NCCC[C@H]2[C@H]1NC(=O)c1cccc(O)c1O	1576384290	PQCDXZGRZDPKSR-LERXQTSPSA-N	290.363	1.604	10	20	CDCD	
C/C(=C\C(=O)N(CC(=O)O)c1ccccc1)c1cnccn1	1573386091	ODDWPVTWIYRFNR-FMIVXFBMSA-N	297.314	1.998	10	20	CDCD	
Cn1cccc1[C@@H]1COCCN1C(=O)Cc1ccc(N)cc1	1579973918	GEXRVVHAHBFFEO-INIZCTEOSA-N	299.374	1.750	10	20	CDCD	
CCOc1ccc(CN2CCOC[C@H]2C(=O)O)c(O)c1	1597101795	FGEGLNKINUULAT-LBPRGKRZSA-N	281.308	1.076	10	20	CDCD	
C[C@@H](NCC(F)(F)CO)c1cc(C(=O)O)ccc1O	1593246274	JNPKQQSFBDYKMF-SSDOTTSWSA-N	275.251	1.369	10	20	CDCD	
C[C@@H]1C[C@H]1[C@@H](NCc1cc([N+](=O)[O-])ccc1O)C(=O)O	1776602629	OLTJRSWVOQWRDP-NYRNMGCKSA-N	280.280	1.499	10	20	CDCD	
Cn1cc(CCC(=O)NCCc2ccc(O)c(O)c2)cn1	156704320	ISHGRQZINRFPRJ-UHFFFAOYSA-N	289.335	1.123	10	20	CDCD	
CO[C@H]1CN(Cc2cccc(Cl)c2O)C[C@H]1OC	234881015	CHXIJKMBJCINFP-TXEJJXNPSA-N	271.744	1.891	10	20	CDCD	
CN1C[C@H](N(C)Cc2cc(F)ccc2O)CCC1=O	862428984	YZDXXZYRVQDXKD-GFCCVEGCSA-N	266.316	1.584	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)C1(CN)CCOCC1	166028583	SSTJNOQKBMEBCQ-UHFFFAOYSA-N	278.352	1.106	10	20	CDCD	
CCN(CC)C[C@@H](C)NC(=O)Cc1ccc(N)cc1	45661691	IURMBQGZNMAKNZ-GFCCVEGCSA-N	263.385	1.658	10	20	CDCD	
CCc1cccc(CN[C@H](C)C[S@@](C)=O)c1O	691527922	VNWYHGYFISIUNG-BMLIUANNSA-N	255.383	1.811	10	20	CDCD	
COc1cccc(CN[C@@H](C)CC[S@@](C)=O)c1O	125567779	BWWNHYUNIYSYAO-YPMLDQLKSA-N	271.382	1.648	10	20	CDCD	
Cc1csc(CCNC(=O)c2cccc(O)c2O)n1	126405764	JDKRKLPHKKIUFY-UHFFFAOYSA-N	278.333	1.835	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)Nc1ccon1	183539658	WRANJFHDVZEGKV-UHFFFAOYSA-N	263.253	1.450	10	20	CDCD	
CNC(=O)[C@@H](C)CN(C)Cc1c(O)cccc1Cl	219840268	GETLJVGDKALHKB-VIFPVBQESA-N	270.760	1.860	10	20	CDCD	
CC(C)(C)N1CCN(C(=O)Cc2ccc(N)cc2)CC1	48926119	LTOYZQJVBLGNIW-UHFFFAOYSA-N	275.396	1.754	10	20	CDCD	
C[C@H]1CN(Cc2ccc(N(C)C)cc2)C[C@H]1C(=O)O	251750042	LHJOFYGOJCBXME-SMDDNHRTSA-N	262.353	1.905	10	20	CDCD	
CC1CCN(c2ccc(CNC(=O)[C@H](C)O)cc2)CC1	276566288	SNZKOVULEFADRV-ZDUSSCGKSA-N	276.380	1.920	10	20	CDCD	
COC(=O)[C@@H]1COCCN1Cc1cc(C)c(C)cc1O	271193001	QFQSGNLJDJTHSG-ZDUSSCGKSA-N	279.336	1.383	10	20	CDCD	
CC(C)N1CCC(NC(=O)c2c(F)ccc(O)c2O)CC1	276697640	QTHDBHTWDGOUDA-UHFFFAOYSA-N	296.342	1.840	10	20	CDCD	
Nc1ccc(CCNC(=O)[C@H]2CCC[C@H](C(=O)O)C2)cc1	386843702	UGUZRIOZYDSAJS-STQMWFEESA-N	290.363	1.819	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNCCC(C)(C)CO)c1O	294925718	ZBQHMUTUVZXXQO-UHFFFAOYSA-N	298.339	1.807	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)OCc1cn[nH]c1	803400245	WDMHQOOHICECAG-DUXPYHPUSA-N	260.249	1.578	10	20	CDCD	
Cc1ccc(C(=O)NC[C@@]2(O)CCC[C@@H]2C)c(O)c1O	294324077	PMKBVEPERFGZEB-BONVTDFDSA-N	279.336	1.687	10	20	CDCD	
C[C@@H]1C[C@H](NC[C@H](N)c2ccc(N(C)C)cc2)CCN1C	817942817	RBLOPVPVWIDRSI-UNEWFSDZSA-N	290.455	1.825	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)NCC[C@@H]2CCNC2)c1	817955210	SMFANZUUKVSMOA-RYUDHWBXSA-N	292.379	1.829	10	20	CDCD	
Cc1cc(CN2CCN3CCOC[C@H]3C2)ccc1N(C)C	815092799	RXKOCMCKZZOOHZ-MRXNPFEDSA-N	289.423	1.577	10	20	CDCD	
C[C@H](NCCc1ccc(N)cc1)C(C)(C)n1cncn1	817958252	VBEMOCDZCRARPN-LBPRGKRZSA-N	273.384	1.816	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNC[C@H](O)C2CCC2)c1O	825239640	ACJFGJUHJDONTE-LBPRGKRZSA-N	296.323	1.560	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCN[C@H]2C)c1	828667207	OCQUQBNZVACNQN-JBLDHEPKSA-N	278.352	1.576	10	20	CDCD	
CCO[C@@H]1COC[C@H]1N[C@H](C)c1cc([N+](=O)[O-])ccc1O	834904818	QUCZKSRIFFVUOI-GAJTVXKRSA-N	296.323	1.755	10	20	CDCD	
C[C@H](C(=O)O)C(=O)NCc1ccc(N(C)C)c(F)c1	842585813	ICJHYDJDMKQHTE-QMMMGPOBSA-N	268.288	1.229	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2CC[C@@H](N)C[C@@H]2C)c1O	846702188	GGRBYYJHYJWBIK-GXSJLCMTSA-N	295.339	1.621	10	20	CDCD	
Oc1ccc(F)cc1CN[C@@H]1CC12CCNCC2	841081328	ZXMCADDKGQLESR-CYBMUJFWSA-N	250.317	1.763	10	20	CDCD	
C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(N)cc2)[C@@H]1C	841057289	IVDMHDCYIBHTEU-NXEZZACHSA-N	261.325	1.464	10	20	CDCD	
CCOC(=O)CN(C)CCN(C)c1ccc(OC)cc1	844400237	XTAQNZDAWFMQST-UHFFFAOYSA-N	280.368	1.626	10	20	CDCD	
CCOc1ccc(O)c(CN2CC[C@H](CNC)C2)c1	843052974	RJUHIHVXTWAZJB-GFCCVEGCSA-N	264.369	1.832	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CCNC2)c1	841941146	KWMUPRZQLUXAGL-UWVGGRQHSA-N	279.340	1.123	10	20	CDCD	
C/C=C/COC(=O)c1cc(NS(C)(=O)=O)ccc1O	920636676	IDSXVSNCJUDADG-ONEGZZNKSA-N	285.321	1.497	10	20	CDCD	
NC(=O)c1ccc(CNCc2c(O)cccc2Cl)cn1	754046587	HMDWXRYTHSPMPS-UHFFFAOYSA-N	291.738	1.829	10	20	CDCD	
O=C(NCC1SCCS1)c1cc(O)cs1	856160355	DLJCTQNNYSETIH-UHFFFAOYSA-N	261.393	1.990	10	20	CDCD	
COC(=O)[C@H]1C[C@H](NC(=O)c2ccc(C)c(O)c2O)C1	856367781	PFJJMJUWHRZBSV-KYZUINATSA-N	279.292	1.088	10	20	CDCD	
CCCN1C[C@@H](C(=O)NCc2cc(C)ccc2O)CC1=O	862755738	XBCLUZJEFXQNHX-ZDUSSCGKSA-N	290.363	1.575	10	20	CDCD	
C[C@@H](N)CN(C)Cc1ccc(N2CCN(C)CC2)cc1	863651337	GWAWSCJJMULOMA-CQSZACIVSA-N	276.428	1.217	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C1CSC1	867302350	OFZQMUGSNKHZEC-QMMMGPOBSA-N	267.350	1.508	10	20	CDCD	
C[C@H]1CN(Cc2cc(F)c(N(C)C)cc2F)CC(=O)N1	862387217	IBUYLBCIAQCCPN-VIFPVBQESA-N	283.322	1.351	10	20	CDCD	
CCN(C)c1ccc(CN[C@@](C)(CO)COC)cc1	879161905	FTOLTDGQCRDLFI-HNNXBMFYSA-N	266.385	1.630	10	20	CDCD	
CC[C@@]1(O)CCCN(C(=O)c2cc(O)cs2)C1	870679798	POXQNGAXDUPECG-GFCCVEGCSA-N	255.339	1.831	10	20	CDCD	
COc1ccc(CN[C@H]2C[C@H](O)C2)cc1Cn1cccn1	873140673	SDUNKUQAAFYUMH-SHTZXODSSA-N	287.363	1.553	10	20	CDCD	
CC[C@@H](NCC(=O)N1CCN(C)CC1)c1ccccc1O	775412492	NJQVOQGATBRNCU-CQSZACIVSA-N	291.395	1.207	10	20	CDCD	
Cc1ccc(C(=O)NCC2(O)CCC2)c(O)c1O	770503005	PDNFCXYKZFXRLZ-UHFFFAOYSA-N	251.282	1.051	10	20	CDCD	
Cc1cc(Cn2cc(CCN)nn2)ccc1N(C)C	881377303	JTDXGURWXHMVMY-UHFFFAOYSA-N	259.357	1.202	10	20	CDCD	
CCC[C@@H](CCO)NC(=O)c1c(F)ccc(O)c1O	880982621	DNASZOHPRCMLAE-QMMMGPOBSA-N	271.288	1.518	10	20	CDCD	
CO[C@@H]1CN(C(=O)NCc2ccc(N)cc2)CC[C@H]1C	1120592475	YOSKERKRTLOQLC-BXUZGUMPSA-N	277.368	1.835	10	20	CDCD	
CCOC(=O)[C@H](NCc1ccccc1O)C1CCOCC1	789579293	GKSIFFARJGMDLN-OAHLLOKOSA-N	293.363	1.840	10	20	CDCD	
CCCN1CCCN(Cc2c(O)cccc2OC)CC1=O	788270516	ZNSDMJVCOIXHDN-UHFFFAOYSA-N	292.379	1.845	10	20	CDCD	
COc1ccc(CN2CC[C@@H](CO)C2)c(O)c1OC	891867277	DIIMQECRASHZOP-SNVBAGLBSA-N	267.325	1.224	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2C[C@H](O)C(C)(C)C2)c1O	279067832	ADUZGXDAFOHPLW-ZDUSSCGKSA-N	281.327	1.937	10	20	CDCD	
CCCN(CC(=O)NC)Cc1cc(C)cc(OC)c1O	893968612	CWADMNMWRUUQJF-UHFFFAOYSA-N	280.368	1.667	10	20	CDCD	
COc1cc(C)cc(CN2C[C@@H](O)C[C@H]2C)c1O	894538347	JUJABSXTXCVHCO-PWSUYJOCSA-N	251.326	1.664	10	20	CDCD	
Cc1ncc(C(=O)NCc2ccc(N(C)C)cc2)n1C	899982619	HTHOSOPJYNQBIS-UHFFFAOYSA-N	272.352	1.725	10	20	CDCD	
CCN(C)C[C@H]1CCN(C(=O)c2cccc(O)c2O)C1	187153001	PSZFGKDUEBBWLA-LLVKDONJSA-N	278.352	1.512	10	20	CDCD	
COc1ccc(CNC(=O)Nc2ccnc(C)n2)c(O)c1	797645130	CVPQAVOHTTYOCD-UHFFFAOYSA-N	288.307	1.821	10	20	CDCD	
CCc1cccc(CN[C@@H](C)CC(=O)NC)c1O	691460035	PCPZDIVZINHNGL-JTQLQIEISA-N	250.342	1.569	10	20	CDCD	
COc1ccc(CNC(=O)N[C@H]2CCO[C@@H](C)C2)c(O)c1	793032244	WIOQYYDHTAVIIV-JQWIXIFHSA-N	294.351	1.768	10	20	CDCD	
C[C@H](NC[C@H](O)[C@H](C)O)c1ccc(N(C)C)cc1	717288013	MZTRAMCFOAAAKX-MJVIPROJSA-N	252.358	1.145	10	20	CDCD	
COc1cc(Cl)cc(CNC[C@H]2C[C@H](O)C2)c1O	720995265	OLORWPILAOAQMF-JLIMDTESSA-N	271.744	1.915	10	20	CDCD	
CC(C)NC(=O)NCCN[C@H](C)c1ccccc1O	879649180	KZXUWNDHFDGWAN-LLVKDONJSA-N	265.357	1.750	10	20	CDCD	
Nc1ccc(NC(=O)C[C@H]2C=CS(=O)(=O)C2)cc1	1326584642	XCVFIOFVTKCHBX-SECBINFHSA-N	266.322	1.156	10	20	CDCD	
Nc1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@@H](F)C2)cc1	1326504187	ZBDLDKROAONWRO-BXKDBHETSA-N	279.315	1.604	10	20	CDCD	
Nc1ccc(CNC(=O)c2cnc3n2CCC3)cc1	1341923726	OIVMGHVXXZELSO-UHFFFAOYSA-N	256.309	1.342	10	20	CDCD	
CCc1cccc(CNCCn2cc(C(=O)O)nn2)c1O	1605828797	NGQSSWCPQQXKDU-UHFFFAOYSA-N	290.323	1.034	10	20	CDCD	
CCOC(=O)[C@H](C(=O)NCc1ccc(N)cc1)C(C)C	1577905197	KBHZFORXJAYTRQ-ZDUSSCGKSA-N	278.352	1.720	10	20	CDCD	
CN[C@@H](C)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	1578750205	QKZMBIDEGVNIOP-LBPRGKRZSA-N	275.396	1.852	10	20	CDCD	
CC[C@@H](N[C@H]1CCOC1)c1cccc(-c2nn[nH]n2)c1O	1590467694	SPZNRLRTMHBKIJ-JOYOIKCWSA-N	289.339	1.402	10	20	CDCD	
CN(C)C(=O)CCNCc1ccc2c(c1)CCCO2	921630863	BCRKRWPVDQYFKT-UHFFFAOYSA-N	262.353	1.580	10	20	CDCD	
O[C@]1(CNCc2ccc3c(c2)CCCO3)CCOC1	921933896	XMHIBMRLSQTSOX-HNNXBMFYSA-N	263.337	1.253	10	20	CDCD	
NCc1ccc2c(c1)CCCN2C[C@@H]1CCS(=O)(=O)C1	843350076	ISTHRYZZTDSART-ZDUSSCGKSA-N	294.420	1.333	10	20	CDCD	
CN(C(=O)CS(=O)(=O)C(C)(C)C)c1ccc(N)cc1	35319846	LBEYVGAIHKLWAL-UHFFFAOYSA-N	284.381	1.445	10	20	CDCD	
CN1CC[C@@](O)(CN[C@H]2CCc3cccc(O)c32)C1	705720939	ZEPNVOWINIKEHR-SWLSCSKDSA-N	262.353	1.036	10	20	CDCD	
Oc1cccc2c1[C@@H](NCCCN1CCOCC1)CC2	383246917	CXZQPIPEHRDWFC-AWEZNQCLSA-N	276.380	1.691	10	20	CDCD	
CCOCCNC(=O)N(C)Cc1ccc(N(C)C)cc1	45644231	CUNHUWHGCLBFAF-UHFFFAOYSA-N	279.384	1.931	10	20	CDCD	
CN(C)c1ccc(CNC(=O)Cn2cccn2)cc1	82267993	HHDDQLKDXLVDLR-UHFFFAOYSA-N	258.325	1.266	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H]1CNCCO1	91300634	NYZFHRATXKYGDB-OAHLLOKOSA-N	291.395	1.090	10	20	CDCD	
Cc1c(CNC(=O)c2nc[nH]n2)n(C)c2ccccc12	352112857	WWWMLZGOTVWPHG-UHFFFAOYSA-N	269.308	1.535	10	20	CDCD	
Cc1nccn1CCCNCc1cc2c(cc1O)OCO2	263650317	DAJXKDOOUHPNSZ-UHFFFAOYSA-N	289.335	1.806	10	20	CDCD	
CCCCCN(CCO)C(=O)c1c(F)ccc(O)c1O	276616004	TVRRJVZYSOSFAM-UHFFFAOYSA-N	285.315	1.862	10	20	CDCD	
COC(=O)[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C(C)C	272528594	WOKQLCYDKUXXKW-DYLGSBMWSA-N	293.319	1.425	10	20	CDCD	
COc1ccc(O)c(CN(C)CCCCCO)c1	279461358	RBQNVFJDCZFDRH-UHFFFAOYSA-N	253.342	1.995	10	20	CDCD	
Cc1ccc([C@@H](C)N[C@H](CO)c2cnn(C)c2)c(O)c1	273490422	OCMBNWPAKVOWNH-BXUZGUMPSA-N	275.352	1.818	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@](C)(O)C1CC1	286417183	RZWYTDJSXHTRAZ-INIZCTEOSA-N	276.380	1.872	10	20	CDCD	
C[C@@H]1CN(Cc2ccc(N(C)C)cc2)C[C@@H](C)S1(=O)=O	289696488	XTHBTUJNYAYVNK-CHWSQXEVSA-N	296.436	1.760	10	20	CDCD	
CC[C@@H](N[C@@H](C)C(=O)NCCF)c1ccccc1O	281917012	AHFYRFLAICGNTD-CMPLNLGQSA-N	268.332	1.907	10	20	CDCD	
CC(=O)N[C@H](C(=O)NCc1ccc(N)cc1)C1CCCC1	297338049	YGYFXTCWOHIBRV-HNNXBMFYSA-N	289.379	1.580	10	20	CDCD	
CN1CC[C@]2(CCN(Cc3cc4c(cc3O)OCO4)C2)C1	292106751	PUDAUNJILBYLRU-INIZCTEOSA-N	290.363	1.649	10	20	CDCD	
COCCOC[C@@H](O)CN(C)c1ccc(OC)c(F)c1	296682846	BRBMGMFYKGTSAJ-LBPRGKRZSA-N	287.331	1.294	10	20	CDCD	
Oc1cccc2c1[C@H](NC[C@@H](O)CN1CCCC1)CC2	296077934	SJRDIZNQLCOWMO-ZIAGYGMSSA-N	276.380	1.426	10	20	CDCD	
COC(=O)CC1CC(NCc2cc(OC)ccc2O)C1	818333017	SCPJXTBRMPXWHQ-UHFFFAOYSA-N	279.336	1.832	10	20	CDCD	
C[C@H](NC[C@H](N)c1ccc(N(C)C)cc1)c1ccn(C)n1	817940122	FJZPVDAQUZGCIC-WFASDCNBSA-N	287.411	1.837	10	20	CDCD	
CN1C[C@H](NCc2ccc3ccccc3c2O)CC1=O	816544422	IDJQQASJBFJFCM-CYBMUJFWSA-N	270.332	1.866	10	20	CDCD	
Cc1cc(C)c([C@@H](C)NCCN2CCNCC2)c(O)c1	817944867	NZDXDKYJFKAXHC-CQSZACIVSA-N	277.412	1.565	10	20	CDCD	
Oc1ccccc1CNc1cccc(-c2nn[nH]n2)n1	826511664	ZISDYZMPHXTINL-UHFFFAOYSA-N	268.280	1.579	10	20	CDCD	
Cc1ccc(C(=O)OCC(=O)NCC2CC2)c(O)c1O	727005339	OKYASQZLSSZHKI-UHFFFAOYSA-N	279.292	1.089	10	20	CDCD	
COC[C@H](NCc1ccc(OC)c(C)c1)C(=O)O	901478455	OUVCBEVTTDKLDO-NSHDSACASA-N	253.298	1.193	10	20	CDCD	
CCOc1ccc(CNC[C@@](C)(O)CCOC)c(O)c1	734846792	RBCFPBQAWDSFCZ-HNNXBMFYSA-N	283.368	1.668	10	20	CDCD	
Cc1cccc(N(CC(=O)O)C(=O)/C=C\c2cnccn2)n1	738718962	DBUQSNAYFQNOET-WAYWQWQTSA-N	298.302	1.311	10	20	CDCD	
CCn1ccc(CC(=O)NCc2cccc(OC)c2O)n1	845834093	QJFMCNVLGCPQPI-UHFFFAOYSA-N	289.335	1.476	10	20	CDCD	
C[C@H](CN)CNC(=O)NCc1c(O)ccc2c1CCCC2	841963100	OWGJEDMCRDYMEQ-LLVKDONJSA-N	291.395	1.665	10	20	CDCD	
Cc1csc(NC(=O)C(=O)NCc2ccccc2O)n1	746505634	MQJKUNMZDCBFQZ-UHFFFAOYSA-N	291.332	1.412	10	20	CDCD	
C[C@@H]1C[C@@H](NCc2ccc(N3CCOCC3)cc2)CCN1	841061245	HGYDSMZFORNRAC-ZBFHGGJFSA-N	289.423	1.753	10	20	CDCD	
c1cc(N2CCOCC2)ccc1CN[C@@H]1CCCNC1	841043656	URMHDHISNURBJE-OAHLLOKOSA-N	275.396	1.365	10	20	CDCD	
CO[C@@H]1COC[C@H]1N[C@H](C)c1cc([N+](=O)[O-])ccc1O	842908450	BWYJUZKSNMBASB-XTWCZFFVSA-N	282.296	1.365	10	20	CDCD	
COCCN1C(=O)C2(CC2)N[C@H]1c1cc(C)c(C)cc1O	840838253	ZHSKOPAXXYSJFW-CQSZACIVSA-N	290.363	1.618	10	20	CDCD	
C[C@H](NCc1ccc2c(c1)CCO2)c1cnn(C)n1	924899456	GDAUIUYKHYUUJX-JTQLQIEISA-N	258.325	1.601	10	20	CDCD	
Cc1ccc(C(=O)NC[C@@H]2CCCCN(C)C2)c(O)c1O	862793453	PLZRWXLFVDFLFM-LBPRGKRZSA-N	292.379	1.868	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cnc(O)n1C	935945140	MBPVVUZYUBITDM-UHFFFAOYSA-N	296.323	1.247	10	20	CDCD	
CN(Cc1cn(C)nn1)Cc1cc(F)c(N(C)C)cc1F	862415262	AWTGCTYMDWRHAU-UHFFFAOYSA-N	295.337	1.791	10	20	CDCD	
COc1nc(C)cc(NCCc2ccc(O)c(O)c2)n1	760548178	BUQZNUHGXDUPPM-UHFFFAOYSA-N	275.308	1.859	10	20	CDCD	
CCOC(=O)C1(C(=O)NCc2cc(C)ccc2O)CC1	862760289	PEBPVMUIRHMFHW-UHFFFAOYSA-N	277.320	1.660	10	20	CDCD	
CCOCCCNC(=O)[C@H](C)N[C@H](C)c1ccccc1O	879648709	AFRAJQLTCFSRLB-OLZOCXBDSA-N	294.395	1.974	10	20	CDCD	
C[C@H](O)c1ncc(C(=O)NCc2ccccc2O)s1	774064543	KKGOPNFTDCEMAN-QMMMGPOBSA-N	278.333	1.832	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)[C@H]1CCN(C)C1=O	776137854	ZYWFVDXJQQPWJE-ZDUSSCGKSA-N	290.363	1.609	10	20	CDCD	
OCCCCN1CCN(Cc2ccccc2O)CC1	770510060	IDWJESYBRNMRPG-UHFFFAOYSA-N	264.369	1.282	10	20	CDCD	
CN1CCN(c2ccc(CN3CCCOCC3)cc2)CC1	775656143	PJXQDFSZHPRTBT-UHFFFAOYSA-N	289.423	1.661	10	20	CDCD	
CC[C@H]1COCCN1Cc1ccc([N+](=O)[O-])c(OC)c1O	774839984	IBZCZPPRNNDWOU-NSHDSACASA-N	296.323	1.920	10	20	CDCD	
CCOCC[C@@H](NCc1ccc2c(c1)CCO2)C(=O)O	1119615285	JEMDGWSGRGZQKV-CYBMUJFWSA-N	279.336	1.591	10	20	CDCD	
CN(CCN1CCOCC1)Cc1ccc(N(C)C)cc1	163368990	NIJJWBDUVNSOBC-UHFFFAOYSA-N	277.412	1.517	10	20	CDCD	
C[C@H]1C[C@H](NC(=O)NCc2ccc(N(C)C)cc2)C(=O)O1	883127342	SCGKXTXXCQHLJR-GWCFXTLKSA-N	291.351	1.256	10	20	CDCD	
C[C@@H](NC(=O)NC[C@H](O)C1CC1)c1ccc(N(C)C)cc1	776238028	HNWTUCGQECTQNM-ABAIWWIYSA-N	291.395	1.884	10	20	CDCD	
C[C@H](CC(N)=O)NCc1cc(Cl)cc([N+](=O)[O-])c1O	776250386	IBYHKPNXUJEPMF-ZCFIWIBFSA-N	287.703	1.307	10	20	CDCD	
C[C@H](NC(=O)C1(C)COC1)c1ccc(N(C)C)cc1	772997260	FDHMTMLTCJCHRY-NSHDSACASA-N	262.353	1.966	10	20	CDCD	
CC(=O)c1cc(F)cc(CN[C@@H]2C[C@@H](N)C2(C)C)c1O	883442785	SPOYFGLADNCGIF-CHWSQXEVSA-N	280.343	1.949	10	20	CDCD	
CN(C)C(=O)CC1CCN(C(=O)c2cc(O)cs2)CC1	781435582	GKNDITYDJHWLDW-UHFFFAOYSA-N	296.392	1.784	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCO[C@@H]2COCC[C@@H]21	888783505	SNEBPYWQAJIKOE-VHSXEESVSA-N	269.322	1.084	10	20	CDCD	
Oc1cccc(Cl)c1CN[C@H]1C[C@H](O)[C@H](O)C1	886243104	OCVUBZBCBPONOL-QESKQRKVSA-N	257.717	1.019	10	20	CDCD	
COc1cc(C)cc(CNCC2(OC)CCOCC2)c1O	894359981	WEFHZYVCASDMTI-UHFFFAOYSA-N	295.379	1.994	10	20	CDCD	
COc1cc(C)cc(CN(C)[C@@H](CO)COC(C)C)c1O	894781222	CTAZTFHTGZQVIE-AWEZNQCLSA-N	297.395	1.927	10	20	CDCD	
Cc1cc(O)c(CN2C[C@H](O)C[C@]2(C)CO)cc1Cl	895326204	VZWLMOBAKHAJKE-BXUZGUMPSA-N	285.771	1.672	10	20	CDCD	
COc1ccc(CNS(=O)(=O)CC(C)(C)C)c(O)c1	799819903	BPGGNURTVQSJFA-UHFFFAOYSA-N	287.381	1.866	10	20	CDCD	
COc1ccc(CN[C@@H](CCO)C2CC2)c(O)c1OC	893038036	VEUQKNXMDKSLTJ-LBPRGKRZSA-N	281.352	1.660	10	20	CDCD	
COc1ccc(CNC(=O)NCc2cocn2)c(O)c1	792920421	WDGAJCONOXRFMR-UHFFFAOYSA-N	277.280	1.388	10	20	CDCD	
CCCCOCCOCCNC(=O)c1cccc(O)c1O	790811153	KTZMYHCJHDQUKA-UHFFFAOYSA-N	297.351	1.661	10	20	CDCD	
CO[C@H]1CN(Cc2c(O)ccc3ccncc23)C[C@H]1OC	792714508	YCFILEPDTMNDFZ-IYBDPMFKSA-N	288.347	1.786	10	20	CDCD	
COc1ccc(CNC(=O)C[C@H]2CCCO2)c(O)c1	794381899	RIQUIMORTJQFFC-GFCCVEGCSA-N	265.309	1.586	10	20	CDCD	
CC[C@H](NC(=O)NCc1ccc(N)cc1)C(C)(C)O	1335724082	FXBKPOWMVOWNCQ-LBPRGKRZSA-N	265.357	1.618	10	20	CDCD	
CCOc1cc(C(=O)NCc2ccc(OC)cc2O)[nH]n1	1347763945	RQWMWCOXFCMRTB-UHFFFAOYSA-N	291.307	1.453	10	20	CDCD	
CCOc1ccc(CNC[C@H](C)CNC)c(O)c1	1261370518	LSRYPUOCYQNCJE-LLVKDONJSA-N	252.358	1.736	10	20	CDCD	
CC(C)[C@H](CO)NC(=O)NCc1ccc(N(C)C)c(F)c1	1346162853	BYTZEYUJUBFUBC-ZDUSSCGKSA-N	297.374	1.708	10	20	CDCD	
COc1ccc(CN2CC[C@@](F)(C(=O)O)C2)c(O)c1OC	1607253694	ZCSWYWBSNOPOEX-AWEZNQCLSA-N	299.298	1.408	10	20	CDCD	
C[C@@H](NCC1(CO)CCC1)c1cc(C(=O)O)ccc1O	1609780084	SLCGVTGKADRKKR-SNVBAGLBSA-N	279.336	1.904	10	20	CDCD	
C/C(=C\COC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)O	1609535153	HICKDHAHZWVYLR-PAEKIZANSA-N	278.260	1.685	10	20	CDCD	
Cc1ccc(O)c(CNc2nccnc2-c2nn[nH]n2)c1	1605875931	VFYDLWWBXSJFQU-UHFFFAOYSA-N	283.295	1.283	10	20	CDCD	
C[C@](O)(CNCc1cc(Cl)cc(Cl)c1O)C(=O)O	1609972332	KYYBGQIKAMUYPF-NSHDSACASA-N	294.134	1.624	10	20	CDCD	
CC[C@@H](NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)C(=O)O	1595290666	SARPRGBUHFCJAY-CABCVRRESA-N	293.411	1.808	10	20	CDCD	
CC(C)[C@H](NCc1ccc(N2CC[C@@H](O)C2)cc1)C(=O)O	1776305645	GBZXSYYMGOCRJS-CABCVRRESA-N	292.379	1.456	10	20	CDCD	
Nc1ccc(CCNC(=O)c2snnc2C2CC2)cc1	904925016	CDPSFJFNAHHHFF-UHFFFAOYSA-N	288.376	1.970	10	20	CDCD	
CCn1ncc(CN[C@@H](C)c2cc(OC)ccc2O)n1	845971098	HAUXDXLHSLGNNL-JTQLQIEISA-N	276.340	1.863	10	20	CDCD	
Cc1ccc(CNCc2nnnn2C2CC2)c(O)c1	877069989	IZPBKKBHUWNHSL-UHFFFAOYSA-N	259.313	1.312	10	20	CDCD	
Cc1ccc(CNC[C@H]2CN(C)CCN2C)c(O)c1	877031118	NEGRPOAVLVIZNS-AWEZNQCLSA-N	263.385	1.036	10	20	CDCD	
CCN1CCC[C@@H]1CNC(=O)Cc1ccc(N)cc1	22177268	WDJSAEWMCJKRNY-CQSZACIVSA-N	261.369	1.412	10	20	CDCD	
COc1cc(Cl)cc(CN[C@@H]2CC(=O)N(C)C2)c1O	273739669	LQRMWEOMFYVHIM-SNVBAGLBSA-N	284.743	1.375	10	20	CDCD	
CCNC(=O)CN(CC)Cc1cc(F)cc(F)c1O	708412081	FREIZQNSEKFXLH-UHFFFAOYSA-N	272.295	1.628	10	20	CDCD	
C[C@@H]1SCC[C@@H]1NC(=O)Cc1ccc(N)cc1	379870640	XLYWKKLFVOGJEI-CABZTGNLSA-N	250.367	1.822	10	20	CDCD	
Cc1ccc(O)c([C@@H](C)NC[C@@H](C)S(C)(=O)=O)c1	697580761	WDTKMUQOOZPKDJ-GHMZBOCLSA-N	271.382	1.784	10	20	CDCD	
COc1cc(N2C[C@@H](O)[C@H](C)C2)c([N+](=O)[O-])cc1OC	387894043	QFXVCYHMWQDXHV-LDYMZIIASA-N	282.296	1.429	10	20	CDCD	
Cc1cc(C(=O)NC[C@@H]2CCCN2)c(C)n1-c1ccccn1	178766757	HBNVWLLSDGRSMT-AWEZNQCLSA-N	298.390	1.971	10	20	CDCD	
O=C1Cc2cc(NC(=O)c3cccc(O)c3O)ccc2N1	185653453	MFFJLCQCQBMXBG-UHFFFAOYSA-N	284.271	1.845	10	20	CDCD	
CC(C)OCCCC(=O)NCc1ccc(O)c(O)c1	183654870	SZWIGZGQRRQMJF-UHFFFAOYSA-N	267.325	1.919	10	20	CDCD	
O=C(CCn1cncn1)NCCCSc1nccs1	74255469	OXPARCCPHRPGEC-UHFFFAOYSA-N	297.409	1.423	10	20	CDCD	
COc1cccc(CNC(=O)NCc2ccco2)c1O	78459258	YJWQRVLOISCYBD-UHFFFAOYSA-N	276.292	1.993	10	20	CDCD	
Cn1c(-c2ccccc2)cnc1SC[C@@H](O)CO	72789959	MTHSELIWGUMDQU-NSHDSACASA-N	264.350	1.532	10	20	CDCD	
O=S1(=O)CCC[C@@H]1CNCc1ccccc1O	126870454	HTTJJJZRMRTITE-LLVKDONJSA-N	255.339	1.059	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H]1CCCO1	180581931	YJCYRMIXQRIOAQ-MALLOTDXSA-N	263.293	1.406	10	20	CDCD	
CC[C@H](NCC(C)(C)C(N)=O)c1ccccc1O	185214120	HHHAYFLWPGMPNH-NSHDSACASA-N	250.342	1.944	10	20	CDCD	
C[C@H]1OCC[C@]1(O)CNCc1cccc(Cl)c1O	228094339	CKYGOYUEVKTCQZ-RNCFNFMXSA-N	271.744	1.675	10	20	CDCD	
COc1ccc(O)c(CN2CC[C@@H](N)C[C@@H]2C)c1	131457065	WXSGRLGZVMKQLB-CMPLNLGQSA-N	250.342	1.712	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)c1ncc(F)cc1F	192178941	SQZCEUSJGANNLM-UHFFFAOYSA-N	280.230	1.701	10	20	CDCD	
CCOc1ccc(N(CC)CCNS(C)(=O)=O)cc1	264500772	IHXRSZDXJSOKNJ-UHFFFAOYSA-N	286.397	1.461	10	20	CDCD	
Cc1nn(C)c(C)c1CNC(=O)NCc1ccccc1O	266756636	CUNWMXQJTTZIBB-UHFFFAOYSA-N	288.351	1.742	10	20	CDCD	
Cc1ccc(O)c(CN2CC[C@H](NC(=O)NC3CC3)C2)c1	273689852	BFHNILCTSUDXHF-AWEZNQCLSA-N	289.379	1.737	10	20	CDCD	
CC(C)[C@@H](O)CN[C@@H](C)c1cc([N+](=O)[O-])ccc1O	273574764	LPSRDAZEXADBJJ-ZANVPECISA-N	268.313	1.968	10	20	CDCD	
CCOC(=O)CCCNC(=O)/C=C/c1ccc(O)c(O)c1	272408978	IUGSPQUUARMDAS-SOFGYWHQSA-N	293.319	1.571	10	20	CDCD	
CCCCN(C)C(=O)C(=O)NCc1ccc(N(C)C)cc1	283620556	WCBVHKXLKRQVMZ-UHFFFAOYSA-N	291.395	1.627	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CCc2ncc[nH]2)cc1	287261571	UNSRKZICUOKOKY-UHFFFAOYSA-N	272.352	1.725	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)CCc1cncnc1	293483348	VEDSQWSNTVVHME-UHFFFAOYSA-N	271.320	1.773	10	20	CDCD	
Cc1nnsc1CNC(=O)NCc1ccccc1O	291685060	FPIOTLGHSFHGRV-UHFFFAOYSA-N	278.337	1.552	10	20	CDCD	
COc1cccc(CN2CCC[C@H](CO)CC2)c1O	294081462	QZNNBWLHDLJULC-LBPRGKRZSA-N	265.353	1.995	10	20	CDCD	
CC(=O)C(=O)Cn1ccnc1[C@@H](O)c1ccccc1	808032378	WKBSFIIHBYSBKJ-ZDUSSCGKSA-N	258.277	1.123	10	20	CDCD	
Cc1nnc(CC(=O)N(C)Cc2ccc(N(C)C)cc2)o1	813385919	BGVNUYIMBXGCGH-UHFFFAOYSA-N	288.351	1.645	10	20	CDCD	
COC[C@@H](NCc1cc(Cl)c(F)cc1O)C(=O)OC	816589619	CVMRZOXBJUZLBA-SNVBAGLBSA-N	291.706	1.462	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@H](O)CCSC)c1	827304259	VUBWBFIIBPAQGE-NOZJJQNGSA-N	299.392	1.692	10	20	CDCD	
CO[C@H]1COCC[C@@H]1CNCc1cc(F)ccc1O	824708932	LJIZBGPVLVVOQP-YGRLFVJLSA-N	269.316	1.672	10	20	CDCD	
CN(Cc1ccc(N(C)C)c(F)c1)C[C@H]1COCCO1	827141796	XZYLLNJORIMDQX-ZDUSSCGKSA-N	282.359	1.739	10	20	CDCD	
CCN(CC)c1ccc(CN[C@@H](C(=O)O)[C@H](C)O)cc1F	904043047	OQZIAHJMXOEXIG-IINYFYTJSA-N	298.358	1.596	10	20	CDCD	
COCCN(CCC(=O)O)Cc1ccc(N(C)C)c(F)c1	901664813	YVWZKDVFZDDDBV-UHFFFAOYSA-N	298.358	1.815	10	20	CDCD	
COc1cccc(CN[C@@H]2CCC[C@@H]2C(=O)O)c1O	904267893	ACFNTQGZNIEKAQ-WDEREUQCSA-N	265.309	1.744	10	20	CDCD	
CCN(CC(C)=O)C(=O)/C=C/c1ccc(O)c(O)c1	908388871	POFAPRYIDOMYKQ-FNORWQNLSA-N	263.293	1.549	10	20	CDCD	
C=CC(=O)N(CC)CC(=O)NCc1ccc(OC)cc1O	907927123	VRZPEYZVYLKWEA-UHFFFAOYSA-N	292.335	1.052	10	20	CDCD	
C[C@H]1C[C@H](NC(=O)c2cccc(O)c2O)c2nccn21	836960092	OZORRPHMXPCUBN-WPRPVWTQSA-N	273.292	1.730	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)[C@H]1CCc2cccnc21	830554234	IHMFGVSVCTZHJD-LBPRGKRZSA-N	284.315	1.839	10	20	CDCD	
CC[C@@H](O)CN(CC(=O)O)Cc1cc(Cl)ccc1O	830174245	FFWIADUYIKVOJR-LLVKDONJSA-N	287.743	1.703	10	20	CDCD	
Cc1nc(C(=O)NCc2ccc(N(C)C)cc2)n(C)n1	836184233	XDFVBDMPPLFDCV-UHFFFAOYSA-N	273.340	1.120	10	20	CDCD	
CCOCCOC[C@@H](O)CN[C@@H]1CCc2cccc(O)c21	834783261	DABCKOVRADSIDL-UONOGXRCSA-N	295.379	1.383	10	20	CDCD	
CCSCC[C@H](C)NC(=O)C(=O)Nc1ccc(N)cc1	841054209	JUUDEVDHTBDNGM-JTQLQIEISA-N	295.408	1.855	10	20	CDCD	
C[C@@H](O)CN(Cc1cc2c(cc1O)OCO2)C1CC1	848928962	QMPIZTVPVMXWPT-SECBINFHSA-N	265.309	1.466	10	20	CDCD	
CC[C@@H](N)CNCc1cc(OC)c(OC)cc1O	841073043	UUKIEJTYEFDFQK-SNVBAGLBSA-N	254.330	1.236	10	20	CDCD	
COC[C@H](O)CN[C@@H](C)c1ccc(Cl)cc1O	841754049	YRGXKLMDVNBFBB-WCBMZHEXSA-N	259.733	1.704	10	20	CDCD	
COc1cc(O)c(CNC[C@]2(C)CCCNC2)cc1OC	841057457	NJGUTXNSDSDBEJ-MRXNPFEDSA-N	294.395	1.889	10	20	CDCD	
CCc1cccc(CNCCCS(=O)(=O)CC)c1O	848917282	FDYZHDXVWJHXEB-UHFFFAOYSA-N	285.409	1.869	10	20	CDCD	
Cc1nnc(CC(=O)NCc2cc(Cl)ccc2O)o1	846475671	FASCTEDDKZTFBS-UHFFFAOYSA-N	281.699	1.596	10	20	CDCD	
NCC[C@@H]1CCCCN1Cc1cc2c(cc1O)OCO2	843123868	QVVRARIZDCDNMS-LBPRGKRZSA-N	278.352	1.824	10	20	CDCD	
CSC(C)(C)C(=O)OCC(=O)c1ccc(O)c(O)c1	849987510	LVGBDTJHLAGLSI-UHFFFAOYSA-N	284.333	1.965	10	20	CDCD	
C[C@H](C[S@@](C)=O)N[C@H](C)c1cc([N+](=O)[O-])ccc1O	757656679	LJOIBFVZNDFYFN-IXGDSRDXSA-N	286.353	1.718	10	20	CDCD	
C[C@@H](N[C@@H]1CCN(C)C1)c1cc([N+](=O)[O-])ccc1O	756533466	HVZLCUYOEFBEPI-NXEZZACHSA-N	265.313	1.655	10	20	CDCD	
Oc1cccc(Cl)c1CNCc1nnnn1CC1CC1	769937702	ZERNITWUQIBDAJ-UHFFFAOYSA-N	293.758	1.732	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)CCc2cn[nH]c2)c1	863866061	PPELOCBJXGXSIA-JTQLQIEISA-N	289.335	1.934	10	20	CDCD	
CC[C@@]1(O)CCN(Cc2cccc(OC)c2O)C1	779217691	UXUCSYMMQIADPV-CQSZACIVSA-N	251.326	1.748	10	20	CDCD	
C[C@@H](NC(=O)c1ccc[n+]([O-])c1)c1ccc(N(C)C)cc1	773021119	YLYWQWHUSPNMBG-GFCCVEGCSA-N	285.347	1.877	10	20	CDCD	
CN(C(=O)/C=C/c1ccc(O)c(O)c1)c1cn[nH]c1	1116501878	IQOWYGSHGLUZMV-HWKANZROSA-N	259.265	1.497	10	20	CDCD	
Cc1ccc(CN2CC[C@H](N3CCCC3=O)C2)c(O)c1	877471855	CFIAIDZFPAHLBA-AWEZNQCLSA-N	274.364	1.897	10	20	CDCD	
CCOc1ccc(CN2CC[C@@H](n3cncn3)C2)c(O)c1	777222051	PWWCUKOWFLSGSX-CYBMUJFWSA-N	288.351	1.829	10	20	CDCD	
COC1(C)CCN(C(=O)NCc2ccc(N)cc2)CC1	1120676865	FHEZAODAOZBSKH-UHFFFAOYSA-N	277.368	1.979	10	20	CDCD	
O=C(/C=C/c1nccs1)NCc1ccc(O)c(O)c1	1123640175	KITLXTGIVFCFLO-ONEGZZNKSA-N	276.317	1.884	10	20	CDCD	
COc1cc(Cl)cc(CN2CC(=O)N(C)C[C@@H]2C)c1O	783731307	ZGPZRYASVBLCGD-VIFPVBQESA-N	298.770	1.717	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)[C@@H]1NC(=O)O[C@H]1C	788656901	YWSJLRBUVXDNCJ-GXFFZTMASA-N	292.335	1.628	10	20	CDCD	
Nc1ccc(CNC(=O)NCCC2CC(O)C2)cc1	1120677819	XLGBOIFQPKUKCI-UHFFFAOYSA-N	263.341	1.229	10	20	CDCD	
COc1cc(C)cc(CN[C@@H](C)C[C@@H](C)O)c1O	894437958	UACHTHDKCCDHPU-WDEREUQCSA-N	253.342	1.958	10	20	CDCD	
O=C(CCc1ccc(O)nc1)NCc1ccc(O)c(O)c1	787449125	IWXIALFAERSZNI-UHFFFAOYSA-N	288.303	1.447	10	20	CDCD	
CC[C@@H](CCO)NCc1ccc(OC)c(OC)c1O	893013421	JZTNMTMCVNICIF-NSHDSACASA-N	269.341	1.660	10	20	CDCD	
CO[C@H](C)CNCc1ccc(N2CCOCC2)c(F)c1	785558294	DZXRAZGBDDQTMB-GFCCVEGCSA-N	282.359	1.787	10	20	CDCD	
Cc1ccc(C(=O)N2CCN(C)[C@@H](C)[C@@H]2C)c(O)c1O	781015561	WXFIDDHGQBWNPL-QWRGUYRKSA-N	278.352	1.571	10	20	CDCD	
COc1ccc(CN2C[C@@H](C)C[C@@H](CO)C2)c(O)c1OC	894974670	JBBHBKSZUYKGNF-NWDGAFQWSA-N	295.379	1.860	10	20	CDCD	
Cc1ccc(O)c(CN(C)CCN2CCOCC2)c1	92974916	UZJZDFJCNXEZDD-UHFFFAOYSA-N	264.369	1.465	10	20	CDCD	
COc1ccc(CNC(=O)N[C@H]2CCCOCC2)c(O)c1	793141839	YOUOXEMSRYHOKT-LBPRGKRZSA-N	294.351	1.769	10	20	CDCD	
COc1cccc(CN(C)CCN2CCCC2)c1O	133911995	RAVVRXRWDMISKY-UHFFFAOYSA-N	264.369	1.928	10	20	CDCD	
C[C@@H]1CN(Cc2ccc(N3CCCC3)cc2)C[C@@H](CO)O1	1320642707	GQVMYZDYFJBWIH-PBHICJAKSA-N	290.407	1.868	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NCCN1CC=CC1	1320757181	SROYRVBUSPKWCU-GQCTYLIASA-N	274.320	1.099	10	20	CDCD	
COc1ccc(O)c(CN(C)C[C@@H]2CCCN2C)c1	211556446	NROJKVWGPIUTEL-ZDUSSCGKSA-N	264.369	1.927	10	20	CDCD	
C[C@@H]1C[C@H](C(=O)NCc2cccc(O)c2O)CCO1	1350300198	NVKQOADMBYYVRS-NXEZZACHSA-N	265.309	1.529	10	20	CDCD	
CC(C)c1ccc(O)c(CN2CCO[C@H](C(=O)O)C2)c1	1604003024	WCVYHTNUWHPALU-AWEZNQCLSA-N	279.336	1.801	10	20	CDCD	
Nc1ccc(CNC(=O)c2cnc3nccnc3c2)cc1	1580445531	IJLRNALZGDAWIZ-UHFFFAOYSA-N	279.303	1.537	10	20	CDCD	
CO[C@H](CNCc1c(O)ccc(Cl)c1F)CC(=O)O	1777147397	ZYCQQLOCUVZCCP-ZETCQYMHSA-N	291.706	1.764	10	20	CDCD	
COc1cccc(CNS(=O)(=O)c2cccs2)c1O	161112519	HZSJCRXDDNHQNY-UHFFFAOYSA-N	299.373	1.941	10	20	CDCD	
COc1cccc(CNS(=O)(=O)N(C)C(C)C)c1O	161110466	NHZLKUOOWCTYHP-UHFFFAOYSA-N	288.369	1.075	10	20	CDCD	
CCOc1cccc(CN2CC[C@H]([C@@H](C)N)C2)c1O	126851249	RTAFIZSKVRCCAS-NEPJUHHUSA-N	264.369	1.960	10	20	CDCD	
C[C@H](NCc1nncn1C)c1ccc(N(C)C)cc1	38007849	YVUBLWVBCKSBEF-NSHDSACASA-N	259.357	1.732	10	20	CDCD	
COC[C@@](C)(O)CNCc1ccc(OC)c(C)c1	69911981	UXAFFJVLSQOJJO-AWEZNQCLSA-N	253.342	1.491	10	20	CDCD	
COCC(COC)N[C@H]1CCc2cccc(O)c21	388453083	ZDFHYNQIMPKAJG-LBPRGKRZSA-N	251.326	1.631	10	20	CDCD	
OC1(CNCc2ccc3c(c2)CCCO3)CCOCC1	921680286	CSDOYMUWSTZWQS-UHFFFAOYSA-N	277.364	1.643	10	20	CDCD	
Cc1ccc(C(=O)N2CCNC(=O)[C@@H]2C(C)C)c(O)c1O	179477416	ZZDDWPXXRBGOIE-NSHDSACASA-N	292.335	1.003	10	20	CDCD	
NC(=O)[C@H]1CN(Cc2c(O)ccc3ccccc23)CCO1	50926860	OPQGRMDCCIDUGH-OAHLLOKOSA-N	286.331	1.232	10	20	CDCD	
COCCO[C@H]1CCN(Cc2ccc(N(C)C)cc2)C1	188827394	QCRSOIWSSNOKPV-INIZCTEOSA-N	278.396	1.990	10	20	CDCD	
COC[C@@H](C)N1CCN(c2ccc(OC)c(F)c2)CC1	122116979	PWKZYWRZSYKIAY-GFCCVEGCSA-N	282.359	1.991	10	20	CDCD	
CC[C@@H]1COCCN1C(=O)c1cccc(O)c1O	126267097	CHSUUAOSJYOCHV-SECBINFHSA-N	251.282	1.349	10	20	CDCD	
COC[C@@H](O)CCN[C@H](C)c1cc(F)ccc1O	186203506	ANBAXSPDMFCXHQ-KOLCDFICSA-N	257.305	1.579	10	20	CDCD	
Cc1ccc(C(=O)N[C@H](C)C2CCOCC2)c(O)c1O	182810271	BFQRGNMAAXJRLV-SNVBAGLBSA-N	279.336	1.951	10	20	CDCD	
CC(C)N(C)S(=O)(=O)Nc1ccc(O)cc1C(=O)O	49042430	RWTIKABEKQWAPK-UHFFFAOYSA-N	288.325	1.087	10	20	CDCD	
COCCNC(=O)N(C)Cc1ccc(N(C)C)cc1	48730294	NEVVBXVANNRGKR-UHFFFAOYSA-N	265.357	1.540	10	20	CDCD	
Oc1ccc(Br)cc1CN1C[C@@H]2CNC[C@@H]2C1	220220154	PPLJFYMCVZVDHQ-PHIMTYICSA-N	297.196	1.806	10	20	CDCD	
CSCC(=O)NCc1ccc(N2CCOCC2)c(F)c1	48704902	SEECPUQECPABQR-UHFFFAOYSA-N	298.383	1.642	10	20	CDCD	
Cc1ccc(O)c(CNCCS(=O)(=O)C(C)C)c1	290054946	DUONLYLWQSMZKG-UHFFFAOYSA-N	271.382	1.613	10	20	CDCD	
C[C@H](NCCCCO)c1ccc(N2CCOCC2)cc1	194227767	GTBDNDVAGUKFFM-AWEZNQCLSA-N	278.396	1.946	10	20	CDCD	
CC(C)C(=O)NCCNCc1c(O)cccc1Cl	83551409	TVVRDPOGPNNEFV-UHFFFAOYSA-N	270.760	1.907	10	20	CDCD	
C[C@@H](NCC1(CO)COC1)c1ccc(N(C)C)cc1	90643214	SYDXBUDASZUSJG-GFCCVEGCSA-N	264.369	1.412	10	20	CDCD	
COC(=O)N[C@@H](C(=O)Nc1ccc(N)cc1)C(C)C	237282136	LMJVRQPSAPEFRB-LLVKDONJSA-N	265.313	1.588	10	20	CDCD	
COCC1(C(=O)N2CCOc3cc(N(C)C)ccc32)CC1	356016026	SNYUIODNARNKOH-UHFFFAOYSA-N	290.363	1.905	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@]2(F)CCNC2)cc1F	366346800	MOQNOPBSARWWDD-CQSZACIVSA-N	283.322	1.210	10	20	CDCD	
COC(=O)N1CC(N[C@@H](C)c2cc([N+](=O)[O-])ccc2O)C1	273528114	VUMKLJYXCFZOLJ-QMMMGPOBSA-N	295.295	1.402	10	20	CDCD	
Cc1ccc(C(=O)N2CC[C@@](CO)(C(C)C)C2)c(O)c1O	366521897	QPFDUWSGYXFBOB-MRXNPFEDSA-N	293.363	1.887	10	20	CDCD	
CN(C)c1ccc(CN2CC[C@H](N3CCCC3=O)C2)cc1	276860663	WURJICULMPCDII-INIZCTEOSA-N	287.407	1.949	10	20	CDCD	
C[C@H]1OCC[C@@]12CN(Cc1ccccc1O)CCO2	279748063	YEWJWVWWIXNRNO-IUODEOHRSA-N	263.337	1.772	10	20	CDCD	
CC(C)N1CCN(Cc2cc3c(cc2O)OCO3)CC1=O	272444044	ISGXCYLBATXHAI-UHFFFAOYSA-N	292.335	1.174	10	20	CDCD	
CCCN(CCO)Cc1ccc([N+](=O)[O-])c(OC)c1O	278274836	SFBVBMYXRODTAY-UHFFFAOYSA-N	284.312	1.513	10	20	CDCD	
CN(C)c1ccc(OC[C@H]2CCCS(=O)(=O)C2)cc1	289327408	DCTZNHPHFWPVQY-GFCCVEGCSA-N	283.393	1.956	10	20	CDCD	
CO[C@H](C(=O)NCc1ccc(O)c(O)c1)C1CC1	281416969	CYVZODDDAPDNFR-LBPRGKRZSA-N	251.282	1.139	10	20	CDCD	
CC[C@H](NCCCn1cc(CO)nn1)c1ccccc1O	289612152	DCYNGZSAAZHRBL-AWEZNQCLSA-N	290.367	1.607	10	20	CDCD	
CCN1CCCC[C@H]1CNC(=O)c1c(F)ccc(O)c1O	294819498	GOUCDIPPWYHJCG-JTQLQIEISA-N	296.342	1.841	10	20	CDCD	
CN(Cc1cc2c(cc1O)OCO2)CC(C)(C)CO	294845304	RNPCZOUPLYXUGO-UHFFFAOYSA-N	267.325	1.571	10	20	CDCD	
CCN(CCCN(C)C)C(=O)c1cc(O)cs1	802614141	VUGOGRMOPHRGSG-UHFFFAOYSA-N	256.371	1.868	10	20	CDCD	
Cc1ccc(C(=O)N[C@H](C)CN(C)C(C)C)c(O)c1O	292090851	NRAQTGOFAMZGSR-LLVKDONJSA-N	280.368	1.865	10	20	CDCD	
C[C@H](NCC(F)(F)CN)c1ccc(N(C)C)cc1	817966579	QIYBECPAULVAQJ-JTQLQIEISA-N	257.328	1.997	10	20	CDCD	
COCCOCCN(C)C(=O)c1cc(O)cs1	811552365	RMRCNKDUGRHSRG-UHFFFAOYSA-N	259.327	1.189	10	20	CDCD	
CNC(=O)[C@H](C)NC(=O)N[C@H](C)c1ccc(N(C)C)cc1	813720316	UCUFXDICLTUBPQ-MNOVXSKESA-N	292.383	1.247	10	20	CDCD	
CO[C@H]1COCC[C@H]1CNCc1ccccc1O	824709323	PADLGEAHQPRRQI-JSGCOSHPSA-N	251.326	1.533	10	20	CDCD	
CO[C@@H]1COCC[C@H]1CNCc1cc([N+](=O)[O-])ccc1O	824709012	MBCZONLIVAJJSV-IINYFYTJSA-N	296.323	1.442	10	20	CDCD	
Cc1cc(NC(=O)CN(C)C(=O)c2cc(O)cs2)no1	731869163	AIIJEHSFOJGWGE-UHFFFAOYSA-N	295.320	1.461	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2cnc(C)[nH]2)c1	734018858	JCZMUJKXEQDGGE-UHFFFAOYSA-N	261.281	1.362	10	20	CDCD	
CO[C@]1(C(=O)NCc2ccc(O)c(O)c2)CCSC1	901131640	NCJYSQFMANFERU-CYBMUJFWSA-N	283.349	1.236	10	20	CDCD	
CNC(=O)C[C@H](C)N[C@H](C)c1cc(F)cc(F)c1O	834899717	JSXKHLGODXKSIL-JGVFFNPUSA-N	272.295	1.846	10	20	CDCD	
COc1ccc(O)c(CNC(=O)NCC[C@H](C)OC)c1	734069358	QBBCLGOCCMKIBM-JTQLQIEISA-N	282.340	1.625	10	20	CDCD	
Nc1ccc(CCNC(=O)[C@H]2CCc3n[nH]cc3C2)cc1	911781818	BCFWLMUOXIBFCS-LBPRGKRZSA-N	284.363	1.456	10	20	CDCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@@H](C)O	840557040	YXAGCEIFFMNPQU-VXGBXAGGSA-N	264.369	1.489	10	20	CDCD	
C[C@H](CN)NCc1ccc(N2CCOCC2)c(F)c1	841060522	YPYMNDHZEIZPGO-LLVKDONJSA-N	267.348	1.099	10	20	CDCD	
CCc1cccc(CNC[C@H]2CCCN2CCCO)c1O	848915340	GIMATVGJBIRYMI-MRXNPFEDSA-N	292.423	1.891	10	20	CDCD	
COc1cccc([C@@H](C)NC[C@H]2CNC(=O)C2)c1O	846167853	FSDQRPUOXKTPQW-ZJUUUORDSA-N	264.325	1.188	10	20	CDCD	
C[C@H](NC[C@@H](O)Cn1ccnn1)c1ccc(Cl)cc1O	841752579	BPPIUAXASONCCS-GXSJLCMTSA-N	296.758	1.349	10	20	CDCD	
C[C@@H](NC(=O)Nc1ccc(N)cc1)[C@@H](C)N1CCOCC1	841299906	JREXHJYHLIPRAN-VXGBXAGGSA-N	292.383	1.500	10	20	CDCD	
CCN(Cc1ccc(N2CCOCC2)cc1)[C@H](C)C(=O)O	923253254	HQESTMLSCLRVQZ-CYBMUJFWSA-N	292.379	1.818	10	20	CDCD	
CNC[C@@H](C)NC1CCN(c2ccc(OC)cc2)CC1	853249573	RJYHVZJJPLJQQJ-CYBMUJFWSA-N	277.412	1.862	10	20	CDCD	
COC[C@](C)(O)CNCc1cc(F)c(N(C)C)cc1F	858134978	XYGYSEOAQPUNLK-CQSZACIVSA-N	288.338	1.518	10	20	CDCD	
CCNC(=O)CNCc1cc(F)c(N(C)C)cc1F	858088175	TWKKAXIMYRRIJP-UHFFFAOYSA-N	271.311	1.257	10	20	CDCD	
CC(C)(N)C(=O)NCc1ccc(N2CCC(O)CC2)cc1	852869175	YFBOIKJKGRYUNC-UHFFFAOYSA-N	291.395	1.001	10	20	CDCD	
Cn1nncc1C(=O)CSc1ncc(Cl)s1	850000535	YIYKLYLHQGOCQQ-UHFFFAOYSA-N	274.758	1.900	10	20	CDCD	
Nc1ccc(CNC(=O)CCCOC2CCOCC2)cc1	868063072	XTQDZRAIOABBLN-UHFFFAOYSA-N	292.379	1.861	10	20	CDCD	
CCN(Cc1cc2c(cc1O)OC[C@@H]2O)C[C@@H]1CCOC1	768446508	KSYCRCDHKQUUSK-NHYWBVRUSA-N	293.363	1.676	10	20	CDCD	
Cc1cc(Cl)cc([C@@H](C)N[C@@H]2COC[C@@H]2O)c1O	866421216	XQWMCYULRDQGQX-FXAINCCUSA-N	271.744	1.764	10	20	CDCD	
C[C@@H]1NC(=O)N([C@@H](C)c2ccc(N(C)C)cc2)C1=O	761576793	NSSZONOTXDCBHT-UWVGGRQHSA-N	261.325	1.754	10	20	CDCD	
COc1cc(O)c(CN(C)CC2(O)CCC2)cc1OC	761218315	AJQZKWVHHFSETC-UHFFFAOYSA-N	281.352	1.756	10	20	CDCD	
CCS(=O)(=O)CCNCc1ccc2c(c1)CCO2	69172780	JTXZFEHEAGSIBQ-UHFFFAOYSA-N	269.366	1.146	10	20	CDCD	
Cc1cc(NC(=O)CN[C@H](C)c2ccccc2O)n(C)n1	879649206	NUAKZTXRFOEHAL-LLVKDONJSA-N	288.351	1.723	10	20	CDCD	
Cc1cccc(O)c1CNCCN(C)CC(F)F	877661895	JNRGZQAEYVWRQV-UHFFFAOYSA-N	258.312	1.987	10	20	CDCD	
CC[C@@H]1C(=O)N(CC)CCN1Cc1ccccc1O	779214521	AEOUXZLEZSDBJR-CYBMUJFWSA-N	262.353	1.835	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)C1(O)CCOCC1	773022339	SXLHEIGLRHMRHQ-UHFFFAOYSA-N	292.379	1.219	10	20	CDCD	
CC(C)(C)C[C@H](CO)NC(=O)c1cc(O)cs1	778511744	RBZKLFKDEUTTGU-MRVPVSSYSA-N	257.355	1.981	10	20	CDCD	
[N-]=[N+]=NCCn1cc(I)cn1	70678336	AXNQUGUMJPWDTK-UHFFFAOYSA-N	263.042	1.798	10	20	CDCD	
C[C@H]1OCC[C@@]1(O)CNCc1c(O)ccc(Cl)c1F	788537064	UJRVJAWRFGUYHD-AMIZOPFISA-N	289.734	1.814	10	20	CDCD	
CCCOCC(=O)NCCNCc1ccc(OC)c(C)c1	1124449214	ACRYMAVESSQQNQ-UHFFFAOYSA-N	294.395	1.636	10	20	CDCD	
O=C(NCc1ccccc1CO)c1c(F)ccc(O)c1O	789991567	UOMVFDPJZXMZBC-UHFFFAOYSA-N	291.278	1.659	10	20	CDCD	
COc1ccc(CN(C)CCN(C)C)c(O)c1OC	894450622	XEFRABLZLOHQPV-UHFFFAOYSA-N	268.357	1.403	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N2CCC[C@@H]2C(=O)O)cc1	780351198	UWTLEIWARBEKTP-CYBMUJFWSA-N	291.351	1.511	10	20	CDCD	
O=C(NCC(F)(F)F)c1c(F)ccc(O)c1O	789955375	XUFSFZHDRFMYGW-UHFFFAOYSA-N	253.151	1.529	10	20	CDCD	
COC[C@@H]1CCCN1C(=O)c1ccc(C)c(O)c1O	780957973	BSPHORLMFJXWAB-JTQLQIEISA-N	265.309	1.657	10	20	CDCD	
COc1cc(O)c(CN[C@@H]2COCC[C@H]2OC)cc1OC	897891338	BKIDPBMYXIGKQP-DGCLKSJQSA-N	297.351	1.303	10	20	CDCD	
CC[C@@H]1CN(C(=O)c2cccc(O)c2O)C[C@H](C)O1	193063033	QRWKVVRUYLIGCD-VHSXEESVSA-N	265.309	1.737	10	20	CDCD	
CCO[C@@H](C)C(=O)NCc1ccc(OC)cc1O	794388448	URUUXSLKOGJOCR-VIFPVBQESA-N	253.298	1.442	10	20	CDCD	
CC[C@H](C(=O)NCc1ccc(OC)cc1O)N(C)C	794380027	WBCLXXDNHARJRK-GFCCVEGCSA-N	266.341	1.357	10	20	CDCD	
COc1ccc(CNC(=O)Cc2cncs2)c(O)c1	794374357	QGLBNJZIXKJCNI-UHFFFAOYSA-N	278.333	1.716	10	20	CDCD	
CCN(CCN)Cc1ccc(N2CCN(C)CC2)c(F)c1	1331846866	IXWWRCIYTLAYMB-UHFFFAOYSA-N	294.418	1.358	10	20	CDCD	
Nc1ccc(CNC(=O)NCCN2CCSCC2)cc1	1335432949	TWAYBOJHLPWORN-UHFFFAOYSA-N	294.424	1.117	10	20	CDCD	
CC[C@@H](CN1CCCC1)NC(=O)NCc1ccc(N)cc1	1337016710	VIGNGNDGYOCXKU-HNNXBMFYSA-N	290.411	1.942	10	20	CDCD	
Oc1c(F)cc(F)cc1CNCc1nnc2n1CCOC2	1262031428	RFVUEFXOGHLWSX-UHFFFAOYSA-N	296.277	1.082	10	20	CDCD	
O=C(O)[C@H](CCO)NCc1c(O)ccc(Cl)c1F	1262164206	ZJFBRCSXBXBGRZ-QMMMGPOBSA-N	277.679	1.110	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)C23CC(CN2)C3)c1	1340969542	XHEOFFPRUMHYRV-SBTGLGLWSA-N	276.336	1.330	10	20	CDCD	
Cc1nn(C)cc1C(=O)NCCc1ccc(N)cc1	226249009	JYQRGWMWHJPTRV-UHFFFAOYSA-N	258.325	1.283	10	20	CDCD	
O=C(O)[C@@H]1OCC[C@@H]1CNCc1ccc(F)c(F)c1O	1602202060	LPIOLWNBRLYPRZ-PRHODGIISA-N	287.262	1.250	10	20	CDCD	
COc1cc(CN(CC(=O)O)C2CC2)c(O)cc1C	1599405283	YOSRVZZGYGEUKY-UHFFFAOYSA-N	265.309	1.758	10	20	CDCD	
CN(CC1(C)COC1)c1ccc(OCC(=O)O)cc1	1598441701	HYZOHNJVYPNJNO-UHFFFAOYSA-N	265.309	1.623	10	20	CDCD	
Cc1ccc(C(=O)NCCc2ccco2)c(O)c1O	163317114	VCOHXHSQHFJJDK-UHFFFAOYSA-N	261.277	1.972	10	20	CDCD	
C[C@@H](NC(=O)[C@H]1CCS(=O)(=O)C1)c1ccccc1O	827923163	KOZRGUJAGKIBRG-ZJUUUORDSA-N	283.349	1.004	10	20	CDCD	
C[C@@H](NC(=O)[C@H]1NCCC1(C)C)c1ccccc1O	877256003	MEOUMXIBEFTPNY-ZWNOBZJWSA-N	262.353	1.958	10	20	CDCD	
Oc1c(F)cc(Br)cc1CN[C@H]1C[C@H](O)C1	883181712	IQPAMMJZIYEMJV-KYZUINATSA-N	290.132	1.907	10	20	CDCD	
C[C@H]1COCCN(Cc2cc3c(cc2O)OCO3)C1	370989987	AOPYJZGVRMQZNV-SNVBAGLBSA-N	265.309	1.589	10	20	CDCD	
COC[C@H](CNCc1cc(F)cc(F)c1O)OC	708452824	CJLSNUHTPVJHAK-JTQLQIEISA-N	261.268	1.421	10	20	CDCD	
CCS(=O)(=O)CCNCc1cccc(Cl)c1O	224733985	XFXRARLEQDKYAY-UHFFFAOYSA-N	277.773	1.570	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H](C)NC(C)=O)c1	104124958	WINPVQUBUZPHOF-DTWKUNHWSA-N	280.324	1.103	10	20	CDCD	
C[C@H]1CS(=O)(=O)CCN1Cc1ccc(N(C)C)cc1	179767792	VUVJJFDOLYTVCC-LBPRGKRZSA-N	282.409	1.372	10	20	CDCD	
C[C@H]1CN(Cc2ccc(N3CCOCC3)cc2)CCO1	179863170	WEXXYABQIHURMB-AWEZNQCLSA-N	276.380	1.744	10	20	CDCD	
COc1ccc(O)c(CN2C[C@H](C)N[C@@H](C)C2)c1	111748496	OAVWWPSRFIGOBL-QWRGUYRKSA-N	250.342	1.583	10	20	CDCD	
CC(C)(C)NCCNC(=O)c1cccc(O)c1O	187115987	PFUOBHDRPVCVDX-UHFFFAOYSA-N	252.314	1.216	10	20	CDCD	
CS[C@H](C)CC(=O)NCCc1ccc(O)c(O)c1	122563463	CYWCJJVNPZRPHN-SECBINFHSA-N	269.366	1.898	10	20	CDCD	
C[C@H](NC[C@H]1CCCS(=O)(=O)C1)c1ccccc1O	284235048	VGJHSWXFUYFUIN-NWDGAFQWSA-N	283.393	1.868	10	20	CDCD	
OCCOCCN(Cc1ccco1)Cc1ccccc1O	133016074	IHXUVBAVWLQDGT-UHFFFAOYSA-N	291.347	1.996	10	20	CDCD	
C[C@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)C[C@@H](C)O	180804057	VEUUHUILBFUFPW-XDFYEUQUSA-N	279.336	1.634	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2ccnc(CN)c2)cc1	130180111	NGIOOHFONKBNHP-UHFFFAOYSA-N	284.363	1.536	10	20	CDCD	
CCn1nncc1CN[C@@H]1CCc2cccc(O)c21	527917208	RNIZQFJFPOOEQK-GFCCVEGCSA-N	258.325	1.781	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)C1CCC(O)CC1	194407948	HZGBRIQHOVAWJV-UHFFFAOYSA-N	263.337	1.902	10	20	CDCD	
CCOCCC(=O)NCc1ccc(N2CCOCC2)cc1	263999109	QZTADDXTPMERMU-UHFFFAOYSA-N	292.379	1.566	10	20	CDCD	
COC(=O)[C@@H](NC(=O)c1ccc(C)c(O)c1O)C(C)C	267634545	XWZMGUBPOITTDF-JTQLQIEISA-N	281.308	1.334	10	20	CDCD	
CC[C@](C)(O)CN[C@H](C)c1cc(C(=O)OC)ccc1O	273467250	FBNUZILNGAWLCF-BMIGLBTASA-N	281.352	1.990	10	20	CDCD	
C[C@]1(O)CCCN(Cc2cc3c(cc2O)OCO3)CC1	279569611	AILKJOXFBMQEJR-HNNXBMFYSA-N	279.336	1.858	10	20	CDCD	
CN(C)c1ccc(CN2CC[C@H](n3cncn3)C2)cc1F	377282934	KSJICOAAHPKZOV-ZDUSSCGKSA-N	289.358	1.930	10	20	CDCD	
Cc1cc(O)c(CN2CC[C@@](C)(C(N)=O)C2)cc1C	280106365	ARNVCWJGXUPZJE-OAHLLOKOSA-N	262.353	1.706	10	20	CDCD	
COC(=O)c1cnoc1CN(C)c1ccc2c(c1)OCO2	285699564	RPJLNVDNWZESBG-UHFFFAOYSA-N	290.275	1.826	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCC(=O)O	818202653	MOLJOOBEABBIDY-UHFFFAOYSA-N	293.367	1.759	10	20	CDCD	
C[C@H]1C[C@@H](N[C@H]2[C@@H]3CNC[C@@H]32)c2c(O)ccc(F)c21	817978035	UMMYPQOLKLNXKC-CDMIMJJDSA-N	262.328	1.887	10	20	CDCD	
C[C@@]1(C(=O)NCc2cc(Cl)ccc2O)CCNC1=O	824214151	YGQARIWQUZTUCA-CYBMUJFWSA-N	282.727	1.188	10	20	CDCD	
CNCCC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	829002534	BOHNQSMJLQPLJL-CQSZACIVSA-N	292.379	1.509	10	20	CDCD	
COc1ccc(N2CCCN(C[C@H]3CCCN3)CC2)cc1	903442656	WMQZBSYNEFGBIP-OAHLLOKOSA-N	289.423	1.959	10	20	CDCD	
Cc1cc(C[C@H](C)NC(=O)Cc2ccc(N)cc2)n[nH]1	831406125	JKJLOCOJTDZUMN-JTQLQIEISA-N	272.352	1.590	10	20	CDCD	
COC(=O)CC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	905952839	ABXMOZSJNBTQDD-UHFFFAOYSA-N	290.363	1.807	10	20	CDCD	
O=C(O)/C=C\c1ccc(N2CC[C@H](CO)C2)c([N+](=O)[O-])c1	739626947	WCABDQGHRHDYJV-MORRKMRCSA-N	292.291	1.511	10	20	CDCD	
CO[C@@H](C)CCC(=O)NC[C@H](N)c1ccc(N(C)C)cc1	832285767	UCYHNZRDJYDZIE-WFASDCNBSA-N	293.411	1.684	10	20	CDCD	
CC[C@H](C(=O)O)C(=O)NCc1cc(OC)ccc1O	911386694	GBFSVGSLHAQOJC-JTQLQIEISA-N	267.281	1.128	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)[C@@H]1CCc2cccnc21	910946182	KCJNMFHXSAVVRB-CYBMUJFWSA-N	284.315	1.839	10	20	CDCD	
CC[C@@H](O)[C@@H](C)C(=O)NCc1cc(C)ccc1O	913000298	GLLOZUCPTPLPCY-ZYHUDNBSSA-N	251.326	1.724	10	20	CDCD	
Cc1cc(O)c(CN[C@@H](C)CN2CCOCC2)cc1C	742367486	WWXKRSQZTJAZLS-AWEZNQCLSA-N	278.396	1.819	10	20	CDCD	
COc1ccc(O)c(CNCC[C@@]2(O)CCCOC2)c1	846107352	HUFAHGKSHKJXCX-HNNXBMFYSA-N	281.352	1.422	10	20	CDCD	
Cn1nnc2c1CC[C@H](NCc1ccc3c(c1)CCO3)C2	848567205	QTJDTICBEJNFHC-ZDUSSCGKSA-N	284.363	1.397	10	20	CDCD	
CC(C)C[C@H](C(N)=O)C(=O)NCc1cc(Cl)ccc1O	846476615	NTBVIBBZSZNNHF-LLVKDONJSA-N	298.770	1.809	10	20	CDCD	
COc1cccc([C@H](C)NCC2(O)CCN(C)CC2)c1O	846142774	CJEPJKPVCDLAJZ-LBPRGKRZSA-N	294.395	1.508	10	20	CDCD	
CCc1cccc(CN2CC(=O)NCC2(C)C)c1O	848909501	VKAJGILNSGHCTL-UHFFFAOYSA-N	262.353	1.665	10	20	CDCD	
O=C(COC[C@@H]1CCCO1)NCc1cc(Cl)ccc1O	846475838	LAULOSARELIVCD-LBPRGKRZSA-N	299.754	1.857	10	20	CDCD	
C[C@@H](CO)N(C)c1ccc(/C=C/C(=O)O)cc1[N+](=O)[O-]	844211399	ONQKIVCDKYKTAW-DNQSNQRASA-N	280.280	1.510	10	20	CDCD	
Cn1ncc(C2CC2)c1CNC(=O)Cc1ccc(N)cc1	851644740	VOTBTQQEDQLUBO-UHFFFAOYSA-N	284.363	1.739	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)N[C@H](C)[C@H]2CCOC2)c1	858251377	WGPLFCNXVINGNX-NEPJUHHUSA-N	278.352	1.925	10	20	CDCD	
CCCN1CC[C@@H](NCc2cc([N+](=O)[O-])ccc2O)C1	850394823	FKIVMNOZMHERAN-GFCCVEGCSA-N	279.340	1.874	10	20	CDCD	
O=C(CCc1cnn[nH]1)NCCCSc1nccs1	865782727	DLRDJTTXBSAEDQ-UHFFFAOYSA-N	297.409	1.492	10	20	CDCD	
CC[C@](C)(O)C(=O)N[C@H](C)c1cc(OC)ccc1O	934940100	HYCXHMSHSWLMSY-OTYXRUKQSA-N	267.325	1.739	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@H](C)[C@@H](C)S(C)(=O)=O)c1	862757168	JXJMRPXYFHJZML-GHMZBOCLSA-N	299.392	1.386	10	20	CDCD	
COc1ccc2c(c1)N(C(=O)/C=C/c1cn(C)cn1)CCO2	933735012	ICUYMPYALCNAGQ-ZZXKWVIFSA-N	299.330	1.868	10	20	CDCD	
CC(C)(O)CCOC(=O)/C=C\c1ccc(O)c(O)c1	765494204	KVRVCBOUNRGKGP-XQRVVYSFSA-N	266.293	1.815	10	20	CDCD	
CCOC(=O)CC(=O)N[C@H](C)c1cc(OC)ccc1O	761974013	SFNUXYNOJKCTAG-SECBINFHSA-N	281.308	1.531	10	20	CDCD	
COc1ccc(O)c(CN[C@H]2C[C@H](C(=O)O)C2)c1	874055023	SLQVEJNJYSYTJV-CZMCAQCFSA-N	251.282	1.354	10	20	CDCD	
C[C@H](Cn1ccnc1)NC(=O)/C=C\c1ccc(O)c(O)c1	779499491	IBYIECNAWUNCPQ-USEMIUTHSA-N	287.319	1.512	10	20	CDCD	
COc1cc(O)c(CN[C@H]2CCN(C)[C@@H](C)C2)cc1OC	776222582	GCCHQJDSNPIZTF-AAEUAGOBSA-N	294.395	1.982	10	20	CDCD	
COc1ccc(CN[C@]2(C)CCOC2)c(O)c1OC	893242076	UGYQBAPIHIDEPJ-CQSZACIVSA-N	267.325	1.678	10	20	CDCD	
CNC(=O)CCCNCc1cc(C)cc(OC)c1O	894206636	HZUDSRQRJMLWKN-UHFFFAOYSA-N	266.341	1.325	10	20	CDCD	
C[C@H]1CCc2n[nH]cc2[C@@H]1C(=O)NCc1ccc(N)cc1	1122445574	VFUKGWXVFRKIQK-ZUZCIYMTSA-N	284.363	1.974	10	20	CDCD	
COCc1nccc(NCc2ccc(OC)cc2O)n1	893639348	YCWDAEGXAOUQQR-UHFFFAOYSA-N	275.308	1.949	10	20	CDCD	
COc1ccc(O)c(CN[C@@H]2C(=O)NCC2(C)C)c1	895315316	DICAYKUCFUXZBK-GFCCVEGCSA-N	264.325	1.015	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)CC2OCCCO2)c1	793689488	NCSFQNOSZHFTMO-SNVBAGLBSA-N	295.335	1.731	10	20	CDCD	
COC[C@@H](O)CNCc1cc(F)c(N(C)C)cc1F	1262367299	PWIYTLAJLVSLGX-JTQLQIEISA-N	274.311	1.128	10	20	CDCD	
CC(=O)N1CCCC[C@@H]1C(=O)NCc1ccc(N)cc1	1342019486	DQOICMRNAHHYBZ-CQSZACIVSA-N	275.352	1.286	10	20	CDCD	
COc1cc(O)c(CN[C@H]2CCC[C@@H]2C(=O)O)cc1OC	1607183219	MLJCUZVEYVQWFU-QWRGUYRKSA-N	295.335	1.752	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)Nc1ncncc1C(=O)O	1604231603	CQGOWNSKPVNMBF-QMMMGPOBSA-N	289.291	1.629	10	20	CDCD	
Oc1cc2c(cc1CN1CCO[C@H]3CCC[C@H]31)OCO2	228966772	GAVQQFZQLGRGJB-YPMHNXCESA-N	277.320	1.874	10	20	CDCD	
C[C@@H](NC(=O)NCc1ccc(N)cc1)C(=O)NC(C)(C)C	1576213080	OOVMVKRYBNOVJR-SNVBAGLBSA-N	292.383	1.371	10	20	CDCD	
COc1ccc(N2CCN(C(=O)CNC3CC3)CC2)cc1	4856139	WRJGXIZPCJYYSB-UHFFFAOYSA-N	289.379	1.096	10	20	CDCD	
COc1cccc(O)c1CN1CC[C@H](C)[C@@H](CN)C1	841100266	AEBCGSXZAGFICV-RYUDHWBXSA-N	264.369	1.818	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)CNC1CC1	37807421	GFGYAUYNCNGZEI-UHFFFAOYSA-N	275.396	1.853	10	20	CDCD	
CCN1CCC(NCc2cc(OC)ccc2O)CC1	38098021	JNAPEIKNKOVKHS-UHFFFAOYSA-N	264.369	1.975	10	20	CDCD	
COc1cccc(CN2C[C@H](C)S(=O)(=O)[C@@H](C)C2)c1O	291026608	YCQOEBOLOLFYEL-QWRGUYRKSA-N	299.392	1.408	10	20	CDCD	
COCCN(C)CCN[C@H]1CCc2cccc(O)c21	389309785	QWZDXYIJGRJEKQ-ZDUSSCGKSA-N	264.369	1.547	10	20	CDCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2NCc1nnn(C)n1	398065277	HJNHYHLMRUJJIB-UWVGGRQHSA-N	273.340	1.562	10	20	CDCD	
CC(=O)c1cc(F)cc(CN(C)CC(=O)NC(C)C)c1O	50152043	AIRLWTIXFRUENL-UHFFFAOYSA-N	296.342	1.690	10	20	CDCD	
C[C@@H](NC(=O)NCCC[S@@](C)=O)c1ccccc1O	1343818654	APAANSDRBJSTST-GIGQVBGESA-N	284.381	1.521	10	20	CDCD	
O=C(NCc1ccc(N2CCCC2)cc1)N[C@H]1CCOC1	179113209	CCUSEDCXPASORO-AWEZNQCLSA-N	289.379	1.875	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2cccnc2OC)c1	114541583	BQNBBHKPIKFKEL-UHFFFAOYSA-N	288.303	1.734	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc(C=O)[nH]1	177658813	BBNJTRLLDOPUPN-UHFFFAOYSA-N	299.330	1.932	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H]2c3ccccc3C[C@H]2O)c(O)c1O	182841400	SMGFYVXQNSNZBI-ZIAGYGMSSA-N	299.326	1.794	10	20	CDCD	
COC[C@H]1CN(Cc2cccc(OC)c2O)C[C@H](C)O1	188388279	ONCKMIXZRIMSQN-WCQYABFASA-N	281.352	1.637	10	20	CDCD	
O=C(NC[C@@H]1CCCCO1)c1cccc(O)c1O	126345625	LXGQWKBDHVSCDN-VIFPVBQESA-N	251.282	1.397	10	20	CDCD	
C[C@H](NCc1cc(F)ccc1O)C(=O)NCc1ccco1	180921919	WYSFLTQYGJHGJG-JTQLQIEISA-N	292.310	1.919	10	20	CDCD	
CCO[C@H](C)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	186402707	LDXKOHYHTXYJDT-NXEZZACHSA-N	267.325	1.570	10	20	CDCD	
O=C(NC[C@H](O)Cc1ccccc1)c1cccc(O)c1O	187073895	CSNKYINGSKCWDO-GFCCVEGCSA-N	287.315	1.431	10	20	CDCD	
COC(=O)[C@@H](C)NCc1cccc(Br)c1O	49352620	WVADXZZJMFJJSG-SSDOTTSWSA-N	288.141	1.806	10	20	CDCD	
C[C@H](NC[C@@H](C)CO)c1ccc(N2CCOCC2)c(F)c1	268852236	PXEFASSUERPWCN-OLZOCXBDSA-N	296.386	1.941	10	20	CDCD	
C[C@@H](O)CCN(C)C(=O)c1c(F)ccc(O)c1O	276512732	FCYRJSUQJXEDLQ-SSDOTTSWSA-N	257.261	1.080	10	20	CDCD	
COc1cccc(CN2CCO[C@]3(CCO[C@@H]3C)C2)c1O	279665126	MLENHROYFCDVBM-MLGOLLRUSA-N	293.363	1.781	10	20	CDCD	
C[C@@H](NC[C@@H](N)c1ccc(N(C)C)cc1)c1ccn(C)n1	817940120	FJZPVDAQUZGCIC-IUODEOHRSA-N	287.411	1.837	10	20	CDCD	
COc1ccc(N2CCC(NC[C@@H](C)N)CC2)cc1	817971533	NUUPSEKMOMUVSQ-GFCCVEGCSA-N	263.385	1.601	10	20	CDCD	
CC[C@@H](NC[C@@H]1CNCCO1)c1ccc(N(C)C)cc1	817982331	CFRUJTMRIBTRSQ-JKSUJKDBSA-N	277.412	1.782	10	20	CDCD	
Cc1noc(CNC(=O)NCc2ccc(N(C)C)cc2)n1	727162695	SEDGAPLVIVVZJL-UHFFFAOYSA-N	289.339	1.443	10	20	CDCD	
O=C(CC[C@@H]1CCCO1)NCc1ccc(O)cc1O	828027585	VYDVYUCXZSLPBS-LBPRGKRZSA-N	265.309	1.673	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN(C)C[C@H]1COCCO1	827140295	JGWDKKPYNDZUMW-INIZCTEOSA-N	278.396	1.908	10	20	CDCD	
COc1cccc(CNC(=O)NCCCCC(=O)O)c1O	820865543	QOLQHBYXASCYGM-UHFFFAOYSA-N	296.323	1.455	10	20	CDCD	
C[C@@H](N)CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	829003747	PWRROVDAHJQGOL-TZMCWYRMSA-N	292.379	1.637	10	20	CDCD	
CCn1nccc1CNC(=O)N(C)Cc1ccccc1O	824357248	ZSYUMXGXVZBERI-UHFFFAOYSA-N	288.351	1.950	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2c3c(nn2C)CCC3)cc1	905318239	OKDKUXJKCQZAIH-UHFFFAOYSA-N	298.390	1.905	10	20	CDCD	
N[C@H](CC(F)F)C(=O)NCCCSc1nccs1	829528265	NVGCBSHEEGWAIN-SSDOTTSWSA-N	295.380	1.724	10	20	CDCD	
CN(C)c1ccc(/C=C/CN2CCO[C@H](C(=O)O)C2)cc1	901488683	DWHQAIPMQXGBIF-BWPKMQGJSA-N	290.363	1.551	10	20	CDCD	
COC[C@H]1COCCN1Cc1cc(OC)c(OC)cc1O	902557781	AMMIBLBTYIHSOB-LBPRGKRZSA-N	297.351	1.257	10	20	CDCD	
O=C(CN1Cc2ccccc2C1=O)NCc1ccccc1O	730032739	FBQVWRNNPNAERA-UHFFFAOYSA-N	296.326	1.664	10	20	CDCD	
CCO[C@H]1C[C@@H](NC(=O)c2ccc(C)c(O)c2O)C1	837735280	NLZQTHANWBHORM-AOOOYVTPSA-N	265.309	1.704	10	20	CDCD	
CC(C)(CNC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)O	833458189	MJPGVIBUKBKRHT-GQCTYLIASA-N	279.292	1.338	10	20	CDCD	
C[C@H](Sc1ncc(Cl)s1)C(=O)N1CCNC1=O	849997991	ILMGCDZDXNOAFJ-YFKPBYRVSA-N	291.785	1.829	10	20	CDCD	
CCN(C)C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1	842786029	SIAXLQLVUKXWBV-CYBMUJFWSA-N	264.373	1.414	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N2CCC(C)(N)CC2)cc1	841653171	HQDQERSUDNHPRN-UHFFFAOYSA-N	290.411	1.775	10	20	CDCD	
Cc1nc2n(n1)CCN(C(=O)c1cc(O)cs1)C2	748420580	XJBWZUHGWAFRLG-UHFFFAOYSA-N	264.310	1.010	10	20	CDCD	
CCOc1ccc(O)c(CN2CCO[C@@H](CF)C2)c1	840954986	OSFRTKLGZMHONU-ZDUSSCGKSA-N	269.316	1.961	10	20	CDCD	
C[C@@H](CCN)NC(=O)N[C@H](C)c1ccc(N(C)C)cc1	841882720	NJCBQVDGNIZCFT-NWDGAFQWSA-N	278.400	1.850	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)NCCNC2CC2)c1	841928295	MNXOVYHUZPBMEY-SNVBAGLBSA-N	293.367	1.513	10	20	CDCD	
CCC[C@H](O)C(=O)N(C)Cc1ccc(N(C)C)cc1	929533834	WVNZRAZAFTWGPH-AWEZNQCLSA-N	264.369	1.872	10	20	CDCD	
CCc1cccc(CNCCNC(=O)c2cc[nH]n2)c1O	848902566	PMCKWFWZZWCPIJ-UHFFFAOYSA-N	288.351	1.197	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)NCCn2cccn2)c1	756682907	BAZKCTPPWUMTGA-NSHDSACASA-N	289.335	1.726	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@]2(C)CCOC2)cc1F	754201468	QYCVGCOXWIZBOE-HNNXBMFYSA-N	280.343	1.935	10	20	CDCD	
CNC[C@H](C)NCc1cc(OC)c(OC)cc1O	853249869	XBSPHNTWGAOBDB-VIFPVBQESA-N	254.330	1.107	10	20	CDCD	
CCN1CCC[C@@H](NC(=O)c2ccc(C)c(O)c2O)C1=O	928870187	QGBVUGFEDTXAEH-LLVKDONJSA-N	292.335	1.147	10	20	CDCD	
COCC1(NC(=O)c2cc(O)cs2)CCOCC1	854636291	AYTNPXOFFOLPRN-UHFFFAOYSA-N	271.338	1.379	10	20	CDCD	
C[C@@H](NC[C@H](O)COCC1CC1)c1ccc(F)cc1O	756510591	KLXNMUVYSOVYON-MFKMUULPSA-N	283.343	1.969	10	20	CDCD	
Nc1ccc(NC(=O)[C@@H]2CC(=O)N[C@@H]3CCCC[C@@H]32)cc1	851633611	OSMZFFGHBJAZFC-MGPQQGTHSA-N	287.363	1.902	10	20	CDCD	
Cc1ccc(O)c(CN2CCN(CC[S@@](C)=O)CC2)c1	769480763	PCFZHSHFCYIYFG-HXUWFJFHSA-N	296.436	1.197	10	20	CDCD	
CO[C@]1(CN[C@H](C)c2cc([N+](=O)[O-])ccc2O)CCOC1	763575206	RBQICTJLUVCXRU-YGRLFVJLSA-N	296.323	1.757	10	20	CDCD	
CC(C)(O)CN1CCC(NCc2ccccc2O)CC1	876996460	UTOOAZWZOONFGE-UHFFFAOYSA-N	278.396	1.717	10	20	CDCD	
COCCCNC(=O)CN(C)Cc1c(C)cccc1O	876551200	MZVZFOLGXHZNCX-UHFFFAOYSA-N	280.368	1.285	10	20	CDCD	
COc1cccc(O)c1CN1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O	787424190	POVVDFWCYQWMTK-FIXISWKDSA-N	290.363	1.487	10	20	CDCD	
COc1ccc(CNC[C@@H](C)C[C@@H](C)O)c(O)c1OC	893043104	SUMQZDOCRVPOJP-WDEREUQCSA-N	283.368	1.906	10	20	CDCD	
COc1ccc(O)c(CN2CC[C@H](c3n[nH]c(C)n3)C2)c1	895006949	CZPODEXASFLLMP-NSHDSACASA-N	288.351	1.817	10	20	CDCD	
COc1ccc2c(c1)CCCN2Cc1cnnn1C	780767683	UXYPVPUVJFKIQJ-UHFFFAOYSA-N	258.325	1.777	10	20	CDCD	
CN(C)c1ccc([C@H](CNC(=O)C(C)(C)O)N(C)C)cc1	891247996	JUIMOADQSGDVSY-AWEZNQCLSA-N	293.411	1.242	10	20	CDCD	
COc1ccc(CN2CCC3(C2)OCCO3)c(O)c1OC	891916659	IALLILMNLNIPRW-UHFFFAOYSA-N	295.335	1.358	10	20	CDCD	
COc1cccc(O)c1CNCC1(O)CCOCC1	728782954	VATSWXUGUQLADG-UHFFFAOYSA-N	267.325	1.032	10	20	CDCD	
O=C(N[C@H](CO)C[C@@H]1CCCO1)c1cc(O)cs1	899293885	BZAWTAMSSMXRST-WPRPVWTQSA-N	271.338	1.114	10	20	CDCD	
CCNC(=O)CN(CC)Cc1c(O)cccc1OC	768193839	SCQXPNOUSMPQEZ-UHFFFAOYSA-N	266.341	1.359	10	20	CDCD	
COC(=O)N1CCCN(C(=O)c2cccc(O)c2O)CC1	1324922785	XNJXAJPNEWQCFL-UHFFFAOYSA-N	294.307	1.012	10	20	CDCD	
COCC[C@@H](NCc1cc(F)cc(F)c1O)C(=O)O	1332012852	NEMZCHOBPXGUQP-SNVBAGLBSA-N	275.251	1.250	10	20	CDCD	
C[C@H](NC(=O)N[C@H]1CCOC1=O)c1ccc(N(C)C)cc1	1348761143	HOEHPGXIVYZTJF-GWCFXTLKSA-N	291.351	1.428	10	20	CDCD	
CCC[C@H](O)CN[C@@H](C)c1cc(C(=O)O)ccc1O	1605221138	IKHAMXCTCXNKSB-ONGXEEELSA-N	267.325	1.902	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N[C@H](CC1CC1)C(=O)O	1601239277	WFYPSEUWOFWKST-DUMNWFOQSA-N	291.303	1.481	10	20	CDCD	
O=C(O)CN(Cc1cccc(F)c1O)C1CCOCC1	1602059380	XCYYYSKOTDIGRS-UHFFFAOYSA-N	283.299	1.597	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC[C@@]2(OC)CCOC2)c1	123265937	VVLOEUWJFYLDPG-NHYWBVRUSA-N	281.352	1.857	10	20	CDCD	
COc1ccc(CNc2cnccc2-c2nn[nH]n2)c(O)c1	1591602196	IJRCABCHYNFDDF-UHFFFAOYSA-N	298.306	1.588	10	20	CDCD	
COc1ccc(N2CC[C@@H](CN[C@@H](C)CC(=O)O)C2)cc1	1594101101	FXMYQYBDDPNOQP-STQMWFEESA-N	292.379	1.974	10	20	CDCD	
COCC1(C(=O)NCCc2ccc(N)cc2)CCC1	818544704	IMLFJAVMQCOHIO-UHFFFAOYSA-N	262.353	1.744	10	20	CDCD	
COC(=O)N(C)CCNCc1ccc2c(c1)CCCO2	922250060	NGLWGSBFPZBMGL-UHFFFAOYSA-N	278.352	1.799	10	20	CDCD	
NS(=O)(=O)CCSc1ncc(Cl)s1	849999941	DDLBEWJFBRURSX-UHFFFAOYSA-N	258.777	1.177	10	20	CDCD	
CCN1CCN(Cc2cc(F)cc(C(C)=O)c2O)CC1	37322518	SSVOXOWZBZEICO-UHFFFAOYSA-N	280.343	1.871	10	20	CDCD	
CC(C)[C@H](NCc1cc2c(cc1O)OCO2)C(=O)O	43431597	UJZKWMLXSXHLNG-LBPRGKRZSA-N	267.281	1.320	10	20	CDCD	
COc1cccc(CN2CCC[C@@H](S(C)(=O)=O)C2)c1O	274089322	IKOCWLGVDQQXTN-GFCCVEGCSA-N	299.392	1.410	10	20	CDCD	
CC[C@H](NC[C@H](O)CN(C)C)c1ccc(N(C)C)cc1	305114711	HLCZZOPJBYEDCK-HOTGVXAUSA-N	279.428	1.716	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)NCC(F)(F)F	184926977	ZLHHRTWHWSNDGP-ZETCQYMHSA-N	292.257	1.890	10	20	CDCD	
CCNCC1CCN(C(=O)Cc2ccc(N)cc2)CC1	237014869	NTKRSCLFEIXNPW-UHFFFAOYSA-N	275.396	1.659	10	20	CDCD	
CSC[C@@](C)(O)CNCc1ccc2c(c1)CCO2	217857737	BTDNNMWGMDSIFK-AWEZNQCLSA-N	267.394	1.825	10	20	CDCD	
Cc1c(CNC(=O)N2CCNCC2)n(C)c2ccccc12	418093389	BRFZLMRLXAKCHP-UHFFFAOYSA-N	286.379	1.602	10	20	CDCD	
CC(C)OCCNC(=O)NCc1ccc(N(C)C)cc1	184119438	ZUEYXVSDBOPCDD-UHFFFAOYSA-N	279.384	1.977	10	20	CDCD	
COc1cccc(CN2CCC[C@H]2C(=O)O)c1O	86726374	MPZOAMDNGVPJQC-JTQLQIEISA-N	251.282	1.450	10	20	CDCD	
COc1cccc(CNS(=O)(=O)c2ccccn2)c1O	132457510	QWBTZSJPGNJAEJ-UHFFFAOYSA-N	294.332	1.274	10	20	CDCD	
C[C@@H](CCS(C)(=O)=O)N[C@H](C)c1ccccc1O	183565677	ISSFAFQMLVUMDI-WDEREUQCSA-N	271.382	1.866	10	20	CDCD	
C[C@@H](NC[C@H]1COCCN1)c1cc2c(cc1O)CCCC2	530221014	BUPCVIMVZIYDAK-DOMZBBRYSA-N	290.407	1.910	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccn(C)c1	274949143	RGRXFQYXJRMJDK-SNVBAGLBSA-N	274.320	1.797	10	20	CDCD	
C[C@@H]1[C@@H](C)[S@](=O)CCN1Cc1ccccc1O	271440303	RUVXVDAEBGLWBL-CZIZLABSSA-N	253.367	1.734	10	20	CDCD	
COc1cc(Cl)cc(CN2CCNC(=O)C[C@@H]2C)c1O	367669458	KZOPWSMSYIRDJF-VIFPVBQESA-N	298.770	1.765	10	20	CDCD	
C[C@H](CNC(=O)c1c(F)ccc(O)c1O)C[C@@H](C)O	276612213	PPXWELIITDLLAY-JGVFFNPUSA-N	271.288	1.374	10	20	CDCD	
Cc1cc(C)c([C@H](C)NCc2cnnn2C)c(O)c1	294364376	QNJLTNQHMIXHOC-NSHDSACASA-N	260.341	1.988	10	20	CDCD	
CCn1nncc1C(=O)N[C@H](C)c1ccc(N(C)C)cc1	816180036	BXNJFWROKAHLRK-LLVKDONJSA-N	287.367	1.855	10	20	CDCD	
Cc1cccc(CN2C[C@H](CO)OC(C)(C)C2)c1O	817412190	GEHCBXDNPOXMGL-CYBMUJFWSA-N	265.353	1.672	10	20	CDCD	
Cc1cc(O)c(CNCCNC(=O)C2CC2)cc1Cl	825058696	JGQYZAHCYAATBD-UHFFFAOYSA-N	282.771	1.970	10	20	CDCD	
O=C(NCc1ccccc1O)c1cc([C@@H]2CCNC2)[nH]n1	828015225	BBDZKLUURBWHKI-SNVBAGLBSA-N	286.335	1.122	10	20	CDCD	
Cn1cnc(/C=C/C(=O)N2CCCc3ccnc(O)c32)c1	825544837	OCJNFQCAZGDWEU-SNAWJCMRSA-N	284.319	1.513	10	20	CDCD	
FCC(CF)NCc1ccc(N2CCOCC2)cc1	824548979	VDMGEGJQSNCIOH-UHFFFAOYSA-N	270.323	1.920	10	20	CDCD	
C[C@@H](NC(=O)c1cc(O)cs1)c1nnc2ccccn12	732262908	IOXZZCNLNMMZFY-MRVPVSSYSA-N	288.332	1.987	10	20	CDCD	
CN(C)c1ccc([C@@H](N)CNC(=O)[C@@H]2CCCS2)cc1	832267327	QORRPGMGBLQXPA-KBPBESRZSA-N	293.436	1.764	10	20	CDCD	
CC(C)(CC(=O)O)NCc1cc2c(cc1O)OCO2	736311381	SRTGRXJZIXXYBI-UHFFFAOYSA-N	267.281	1.464	10	20	CDCD	
Cn1nnc2c1CC[C@H](NC(=O)Nc1ccc(N)cc1)C2	848595395	WEBITMUKBZFSLS-NSHDSACASA-N	286.339	1.076	10	20	CDCD	
COc1cc(Cl)cc(CN[C@H]2CCCNC2)c1O	841043531	SIRQIIBWOIOFBT-NSHDSACASA-N	270.760	1.896	10	20	CDCD	
CCNC(=O)NC(=O)[C@H](C)N(CC)c1ccc(OC)cc1	747681596	CGDXIYFVDVGIRM-NSHDSACASA-N	293.367	1.756	10	20	CDCD	
C[C@H]1CN(Cc2cc3c(cc2O)OCO3)CC[C@H]1N	843053205	ZGYXZUBKGSYPPR-GXSJLCMTSA-N	264.325	1.290	10	20	CDCD	
Nc1ccc(CN2CCC[C@@H](N3CCCC3=O)C2)cc1	1335286217	WNWRAMSCEFEDRQ-OAHLLOKOSA-N	273.380	1.856	10	20	CDCD	
CCOc1ccc(O)c(CN2CCC[C@H](N)C2)c1	843043871	NLMAAFDJHIBOGH-LBPRGKRZSA-N	250.342	1.714	10	20	CDCD	
COc1cc(CNCC(=O)N(C)C)c(O)c(C(C)(C)C)c1	850009770	PTVRMZMCWZIDEE-UHFFFAOYSA-N	294.395	1.876	10	20	CDCD	
COc1ccc(CN(C)C(=O)Cc2ccc(N)cc2)cn1	852844314	CWQOCQDDGLLNHB-UHFFFAOYSA-N	285.347	1.874	10	20	CDCD	
COC(=O)[C@H]1C[C@H](NC(=O)/C=C\c2ccc(O)c(O)c2)C1	856368044	VXCGMESTVLKVHM-NVQIXMIUSA-N	291.303	1.179	10	20	CDCD	
CNC[C@H](C)N[C@H](C)c1cc(C(=O)OC)ccc1O	854232530	SDOLZRFNHIJQHK-VHSXEESVSA-N	266.341	1.437	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2C[C@@H]3C[C@H]3C2)c1O	862443478	PKBGAJAXMNZDLI-UWVGGRQHSA-N	264.281	1.761	10	20	CDCD	
CCOC(=O)CN(C)Cc1c(O)cccc1OC	768245610	BNBWAUCAVUZRQW-UHFFFAOYSA-N	253.298	1.396	10	20	CDCD	
CCN(Cc1cc2c(cc1O)OC[C@H]2O)C[C@H]1CCCO1	768441723	GYOTXGOUFBNGBZ-IUODEOHRSA-N	293.363	1.819	10	20	CDCD	
Cc1ccc(CNCCN2CCN(C)C(C)(C)C2)c(O)c1	877499040	KWLGCQACMORZBB-UHFFFAOYSA-N	291.439	1.816	10	20	CDCD	
COC(=O)[C@@H]1CN(C)CCN(Cc2ccc(C)cc2O)C1	877587864	SEABURJFVSTREA-CQSZACIVSA-N	292.379	1.237	10	20	CDCD	
COCCOC[C@H](O)CN[C@H](C)c1ccccc1O	879649118	ISGVKOXWHSYZEW-VXGBXAGGSA-N	269.341	1.067	10	20	CDCD	
CCCCN1CC(NC(=O)c2cc(OC)nc(OC)c2)C1	1030614071	AXZUZOMHHBQCFC-UHFFFAOYSA-N	293.367	1.313	10	20	CDCD	
C[C@@H](NC(=O)CCC(=O)O)c1ccc(N(C)C)cc1	773896365	DZBSCRUAKIAUJE-SNVBAGLBSA-N	264.325	1.795	10	20	CDCD	
CCOCCOC(=O)/C=C\c1ccc(O)c(O)c1	772778105	ZTNTUFAVRKRDJX-XQRVVYSFSA-N	252.266	1.691	10	20	CDCD	
CC(C)NC(=O)NCc1ccc(N2CCN(C)CC2)cc1	882662560	BVYRNMVFPFPNBZ-UHFFFAOYSA-N	290.411	1.646	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@@H](N)CC1CC1	884223238	LKYPFXXEFDKRKI-HNNXBMFYSA-N	275.396	1.805	10	20	CDCD	
O[C@H]1C[C@@H](NCc2ccc(N3CCCCC3)cc2)C[C@H]1O	886257505	BUWSRBJPHCPGTE-ACHSLPGTSA-N	290.407	1.651	10	20	CDCD	
CC(C)(C)C[C@H](O)C(=O)OCC(=O)c1ccc(O)c(O)c1	784338562	MGQXVJYBBKPIAK-LBPRGKRZSA-N	296.319	1.621	10	20	CDCD	
CON(C)C(=O)CNCc1ccc(N(C)C)cc1C	895045289	HLXOYULYRFBSJA-UHFFFAOYSA-N	265.357	1.170	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)N[C@@H]2C[C@H](C)OC2=O)c1	896370754	JSGRRMAQMPLQDB-GXSJLCMTSA-N	278.308	1.204	10	20	CDCD	
Cc1ccc(C(=O)N[C@H](C)[C@@H]2CCCOC2)c(O)c1O	781029267	PKVDNJCRRQSLEQ-GHMZBOCLSA-N	279.336	1.951	10	20	CDCD	
CN(Cc1ccccc1O)c1cc(C(=O)O)ncn1	1598530767	QZKCCCRDAUNQQP-UHFFFAOYSA-N	259.265	1.517	10	20	CDCD	
COc1ccc(CNC(=O)NC[C@H]2CCCCO2)c(O)c1	792919032	ZYJZOPJLMNKDCI-CYBMUJFWSA-N	294.351	1.769	10	20	CDCD	
COCC(C)(C)C(=O)NCc1ccc(OC)cc1O	794380691	HAQZBEOPGWHMRO-UHFFFAOYSA-N	267.325	1.690	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)c1ccncc1	98074431	XDZSLECAXKIJPN-UHFFFAOYSA-N	258.277	1.465	10	20	CDCD	
COC(=O)[C@@H]1CCC[C@H]1NCc1cc(OC)ccc1O	1321868669	SNFNFNDHIHORTR-CHWSQXEVSA-N	279.336	1.832	10	20	CDCD	
CC(C)N(CCN(C)C)C(=O)NCc1ccc(N)cc1	1335726021	QLTPPARSBUSOBT-UHFFFAOYSA-N	278.400	1.750	10	20	CDCD	
COC(=O)NC1CN(Cc2c(O)ccc(Cl)c2F)C1	1344569736	RPRDDYSCNLEOFS-UHFFFAOYSA-N	288.706	1.725	10	20	CDCD	
C[C@H](NC[C@H]1CN(C)C(=O)O1)c1ccc(N(C)C)cc1	1347648641	UKFBUWPWSFXVHR-FZMZJTMJSA-N	277.368	1.854	10	20	CDCD	
Cc1ccc(O)c([C@@H](C)NCCOCCN(C)C)c1	219324585	FXPVSRHZDZHPTG-CYBMUJFWSA-N	266.385	1.929	10	20	CDCD	
CC(C)[C@@H](O)C1(CNC(=O)NCc2ccc(N)cc2)CC1	1353540919	ZIIJPRGEJVBYOM-CQSZACIVSA-N	291.395	1.865	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@H]2CC[C@@H](C(=O)O)C2)c1	1600464774	JZJKLJDQKGDPMV-WDEREUQCSA-N	277.320	1.818	10	20	CDCD	
O=C(O)CCC(=O)COC(=O)c1cc(O)cs1	1601970346	QHUCGNABCFIHOT-UHFFFAOYSA-N	258.251	1.044	10	20	CDCD	
COC(=O)[C@H]1CNCCCN1Cc1ccc(Cl)cc1O	1578797898	UKQAZFCEZJJMMN-GFCCVEGCSA-N	298.770	1.383	10	20	CDCD	
NC[C@H]1CC[C@H](NC(=O)c2c(F)ccc(O)c2O)CC1	1580331829	OBLFXFLRUWIEAD-KYZUINATSA-N	282.315	1.484	10	20	CDCD	
Cc1ccnc(NCc2c(O)cccc2O)c1-c1nn[nH]n1	1592274709	CSLVDZTZYIPQPU-UHFFFAOYSA-N	298.306	1.593	10	20	CDCD	
COC[C@@H](CCN[C@@H](C)c1cc(C(=O)O)ccc1O)OC	1599162599	CIBSQIHPCCOKEP-CMPLNLGQSA-N	297.351	1.793	10	20	CDCD	
CCCOc1ccc(CNC[C@@H](OC)C(=O)O)cc1C	1776821099	SDCJMISOINVUHH-CQSZACIVSA-N	281.352	1.973	10	20	CDCD	
CC(=O)N1CC[C@@H](NCc2cc(C)c(C)cc2O)C1	152811404	YGRZPBSVAZCYIS-CQSZACIVSA-N	262.353	1.719	10	20	CDCD	
COc1ccc(O)c(CNCc2cc(C)nn2C)c1	284234973	DRZRDTLAGDQUDN-UHFFFAOYSA-N	261.325	1.733	10	20	CDCD	
CC(C)C(=O)NCCN[C@@H]1CCc2cccc(O)c21	295950193	LLORSJGAXTVDFU-GFCCVEGCSA-N	262.353	1.741	10	20	CDCD	
C[C@H](CNC(=O)Cc1ccc(N)cc1)CN1CCCC1	59930903	ZBZUCCCFZDNQKZ-CYBMUJFWSA-N	275.396	1.659	10	20	CDCD	
OCCCCCNCc1ccc(N2CCOCC2)cc1	192902698	BMZSBTPKTFKJKF-UHFFFAOYSA-N	278.396	1.775	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCc2c[nH]nc2C1	396858467	UQFNSCYQOAINGX-UHFFFAOYSA-N	259.265	1.019	10	20	CDCD	
CC(C)N(C)CCNCc1ccc(N2CCOCC2)cc1	54111084	HBEFIIDHIJBWCL-UHFFFAOYSA-N	291.439	1.953	10	20	CDCD	
Oc1ccc(CNc2ncnc3[nH]ncc23)cc1O	119647459	ATYYWDBCWFUJBY-UHFFFAOYSA-N	257.253	1.376	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)C1=CCCCO1	179087538	DEQSACQIGXKXKW-UHFFFAOYSA-N	263.293	1.451	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC[C@H]2CN(C)CCN2C)c1	68800744	VMARKXLLIVRCGL-OLZOCXBDSA-N	293.411	1.297	10	20	CDCD	
CCN1CCC[C@H](CNC(=O)c2cccc(O)c2O)C1	1344109539	LZPQRCFBLBTJHV-LLVKDONJSA-N	278.352	1.560	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)Cn1ccccc1=O	69772683	IWTKSLCRPQIOQH-UHFFFAOYSA-N	299.374	1.573	10	20	CDCD	
COCCN1CCN(Cc2cc(C)ccc2O)CC1	123018719	QCCANDIUNOPBRB-UHFFFAOYSA-N	264.369	1.465	10	20	CDCD	
COc1ccc(N2CCN(C[C@@H](C)OC)CC2)cc1F	182225452	YYMDEHRFMCZWLC-GFCCVEGCSA-N	282.359	1.991	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCCOC1	186438971	FTPSEFKOLBIMRZ-PWSUYJOCSA-N	279.336	1.572	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCCOC1	186438940	FTPSEFKOLBIMRZ-ZYHUDNBSSA-N	279.336	1.572	10	20	CDCD	
COc1cccc(CN2CCC[C@@H]2CC(=O)O)c1O	86791229	NHHMKZLENSNNGY-LLVKDONJSA-N	265.309	1.840	10	20	CDCD	
C[C@H]1CCNC(=O)[C@H]1NCc1ccc2c(c1)CCO2	193696456	ZUIVLWCACXULQK-HZMBPMFUSA-N	260.337	1.236	10	20	CDCD	
COC(=O)[C@@H]1CN(Cc2ccc(N(C)C)cc2)CCO1	93081406	ACXGCFBIYMNVRG-AWEZNQCLSA-N	278.352	1.126	10	20	CDCD	
CC[C@H](O)CCNC(=O)NCc1ccc(N(C)C)c(F)c1	268809324	GBEKTPQAVZZANH-LBPRGKRZSA-N	297.374	1.852	10	20	CDCD	
COC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(C)c(O)c1O	267568582	IDRJHZUUDNKKNX-LLVKDONJSA-N	295.335	1.724	10	20	CDCD	
C[C@@H]1CN(C(=O)c2c(F)ccc(O)c2O)CCS1	276582854	LSXCWKSZMKNBFZ-SSDOTTSWSA-N	271.313	1.814	10	20	CDCD	
Cn1nccc1N1CCC[C@@H](NCc2ccccc2O)C1	278295477	CFNCWHKLYPJYLX-CQSZACIVSA-N	286.379	1.884	10	20	CDCD	
O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1C[C@@]12CCNC2	364211805	IXBKCVKUNRCLCP-SJLPKXTDSA-N	299.418	1.903	10	20	CDCD	
CN(C)c1ccc(CNC(=O)C23CCCN2CCC3)cc1	278614189	MAZDZRJPBGIRQN-UHFFFAOYSA-N	287.407	1.997	10	20	CDCD	
Cc1cccc(CN(CCO)C2CCOCC2)c1O	276050869	UJJVMMHWYZSFPY-UHFFFAOYSA-N	265.353	1.674	10	20	CDCD	
CN1CCCc2cc(CNC(=O)[C@@H]3C[C@@]34CCNC4)ccc21	372449184	YECCAPQAUZDIOE-MAUKXSAKSA-N	299.418	1.685	10	20	CDCD	
CCOc1ccc(S(=O)(=O)CC(=O)C(C)=O)cc1	289640743	NAJTXMYZFDNSPH-UHFFFAOYSA-N	270.306	1.017	10	20	CDCD	
C[C@H](CN1CCN(C)CC1)N[C@H]1CCc2cccc(O)c21	297806981	QQBMDQKQEBRXLS-HIFRSBDPSA-N	289.423	1.605	10	20	CDCD	
CN(C)[C@H]1CCCC[C@@H]1NC(=O)Cc1ccc(N)cc1	1349486082	DCNMCASZTGYHBT-GJZGRUSLSA-N	275.396	1.800	10	20	CDCD	
Cc1ccc(O)c(CN(C)[C@H](CO)COC(C)C)c1	809768481	MRZMTXPGWCUHCW-CQSZACIVSA-N	267.369	1.918	10	20	CDCD	
Cc1ccc(C(=O)N(C)[C@H]2CCCOC2)c(O)c1O	804289580	WFWKELHIPXOKDS-JTQLQIEISA-N	265.309	1.657	10	20	CDCD	
C[C@H](N)[C@@H]1COCC[C@@H]1NCc1ccc(N(C)C)c(F)c1	817901775	YHVIEOZSBGQUEN-WHOFXGATSA-N	295.402	1.734	10	20	CDCD	
COc1ccc(N2CC[C@H](CNC(=O)N(C)OC)C2)cc1	824688732	YBFFYSWZGKWXQK-GFCCVEGCSA-N	293.367	1.724	10	20	CDCD	
Oc1ccc(F)cc1CN1CCC[C@@H](n2ccnn2)C1	822503792	LNFPQJZKKBUYEP-CYBMUJFWSA-N	276.315	1.960	10	20	CDCD	
C[C@]1(CNC(=O)c2c(F)ccc(O)c2O)CCOC1	825822874	OKCSAPFNYBKCIC-CYBMUJFWSA-N	269.272	1.393	10	20	CDCD	
CN(C)c1ccc([C@H](N)CNC(=O)[C@H]2CCCOC2)cc1	832278906	GDORTVISYXGSJU-DZGCQCFKSA-N	291.395	1.295	10	20	CDCD	
CC(C)OC[C@H](C(=O)O)N(C)Cc1cc(F)ccc1O	833505644	LOVDVJDKEHEJEM-GFCCVEGCSA-N	285.315	1.841	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)[C@@H]1CCc2cccnc21	830554232	IHMFGVSVCTZHJD-GFCCVEGCSA-N	284.315	1.839	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)CCNC(=O)OC	730832485	PDAAVSHKLUVAGU-UHFFFAOYSA-N	294.351	1.877	10	20	CDCD	
O=C(/C=C\[C@H]1CCOC1)OCC(=O)c1ccc(O)c(O)c1	838049429	MQQCPCDJEUGPMT-GZXOQBQISA-N	292.287	1.416	10	20	CDCD	
COC(=O)CC1(NC(=O)Nc2ccc(N)cc2)CCC1	841298868	DPMYTTVCYAZCLA-UHFFFAOYSA-N	277.324	1.876	10	20	CDCD	
CS(=O)(=O)C1CN(Cc2cc(Cl)c(F)cc2O)C1	841887646	URFPNAMJNPJLIJ-UHFFFAOYSA-N	293.747	1.414	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CSCN2)c1	843489057	CJRLQYGPFNNITG-KCJUWKMLSA-N	282.365	1.241	10	20	CDCD	
COC[C@](C)(O)CN[C@H](C)c1cccc(OC)c1O	846143475	GABHCFYRJQOMBO-QMTHXVAHSA-N	269.341	1.449	10	20	CDCD	
C[C@H]1C[C@@H](NCc2cc([N+](=O)[O-])ccc2O)CO1	842673439	LYHPKPUOIRTEAN-WCBMZHEXSA-N	252.270	1.567	10	20	CDCD	
C[C@H](CN)N(C)C(=O)NCc1ccc(N(C)C)cc1	841651747	AEMZNVWUXSXTIG-LLVKDONJSA-N	264.373	1.241	10	20	CDCD	
COc1cccc(CNC(=O)NCC2(N(C)C)CC2)c1O	923007319	KCZCREROFQEAMW-UHFFFAOYSA-N	293.367	1.294	10	20	CDCD	
Oc1ccccc1CNC(=S)NC[C@H]1CCCCO1	758215222	HWHSIIPAYFAEJQ-GFCCVEGCSA-N	280.393	1.925	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)N[C@@H]2CCN(C)[C@H](C)C2)c1	858283944	AGQGOKQLUOHZLO-TZMCWYRMSA-N	291.395	1.983	10	20	CDCD	
CCC(CC)CS(=O)(=O)NCc1ccc(O)cc1O	867416890	ITIUAMZLANRPEU-UHFFFAOYSA-N	287.381	1.953	10	20	CDCD	
Oc1cc2c(cc1CN1CCc3ncncc3C1)OCO2	1119392524	MUQIGBMGBFPCGN-UHFFFAOYSA-N	285.303	1.469	10	20	CDCD	
CCCOc1ccc(CN[C@H](CO)COC)cc1C	873117740	MXAHUJWOPCJQDF-CQSZACIVSA-N	267.369	1.881	10	20	CDCD	
Cc1ccc(CN2C[C@@](C)(CO)[C@@](C)(CO)C2)c(O)c1	877656715	QAXAPBREIAVEIR-IYBDPMFKSA-N	279.380	1.513	10	20	CDCD	
COc1cc(C)cc(CN2CCc3c[nH]nc3C2)c1O	1119443962	YMSHPVURHKUJFF-UHFFFAOYSA-N	273.336	1.991	10	20	CDCD	
Cc1ccc(CNCC(=O)NC2CCCC2)c(O)c1	877010213	PWIXFSKMAGHDSM-UHFFFAOYSA-N	262.353	1.849	10	20	CDCD	
C[C@@H]1C[C@@H](C(=O)NCc2ccc(O)c(O)c2)CCC1=O	778919618	HFZIOJDSGMKYPK-KOLCDFICSA-N	277.320	1.719	10	20	CDCD	
COC(=O)CN1CCN(Cc2ccc(N(C)C)cc2)CC1	785810158	SNSRTLUZPGTSRG-UHFFFAOYSA-N	291.395	1.043	10	20	CDCD	
COc1cc(C)cc(CN[C@H](C)C(=O)N(C)OC)c1O	895413551	GCMRSWDTHZCAPW-SNVBAGLBSA-N	282.340	1.207	10	20	CDCD	
COCC(COC)NCc1ccc(OC)c(OC)c1O	894735898	QZNVZGURPBMOQA-UHFFFAOYSA-N	285.340	1.160	10	20	CDCD	
COCCN(CC(=O)OC)Cc1cc(F)cc(F)c1O	894028371	VZAYFZFKJMACMQ-UHFFFAOYSA-N	289.278	1.292	10	20	CDCD	
Cc1nn[nH]c1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	790038130	YFYXNXVEYVEYEH-VIFPVBQESA-N	273.340	1.670	10	20	CDCD	
CC[C@@H]1C(=O)N(CC)CCN1C(=O)c1cccc(O)c1O	790944097	WAILKWDJPKLYRW-LLVKDONJSA-N	292.335	1.181	10	20	CDCD	
CCO[C@@H]1C[C@H](NCc2ccc3c(c2)CCO3)[C@@H]1OC	775979203	RTYKAEIRLFOYFN-IMJJTQAJSA-N	277.364	1.904	10	20	CDCD	
CCOc1cc(C(=O)NCc2ccc(N(C)C)cc2)[nH]n1	1327756531	XFXISTBNHNUKTC-UHFFFAOYSA-N	288.351	1.804	10	20	CDCD	
Oc1ccc(CCNC(=S)NCC2CCC2)cc1O	1322376449	FTBWAFLJJWOCCL-UHFFFAOYSA-N	280.393	1.905	10	20	CDCD	
CC1(C)CN(C(=O)NCc2ccc(N)cc2)[C@@H]2COC[C@@H]21	1335736737	HIAPQZATKUWPCX-UONOGXRCSA-N	289.379	1.835	10	20	CDCD	
C[C@H](O)CCN(C)c1ccc(OCC(=O)O)cc1	1604384498	SLWJKGZADQVSQO-JTQLQIEISA-N	253.298	1.357	10	20	CDCD	
O=C(O)Cn1cc(NCc2cc(Cl)ccc2O)cn1	1606341076	OBVOIMZVSFGFDD-UHFFFAOYSA-N	281.699	1.939	10	20	CDCD	
O=C(O)C[C@]1(NCc2ccc(F)c(F)c2O)CCOC1	1601936820	RUSLSUFRNPSSRW-CYBMUJFWSA-N	287.262	1.394	10	20	CDCD	
CO[C@]1(CN[C@@H](C)c2ccc(F)cc2O)CCOC1	123284727	ZFJCQGSPRHEQRK-HZMBPMFUSA-N	269.316	1.987	10	20	CDCD	
CC[C@@H](NC[C@H](c1ccc(N(C)C)cc1)N(C)C)C(=O)O	1595290668	SARPRGBUHFCJAY-HUUCEWRRSA-N	293.411	1.808	10	20	CDCD	
CCOc1ccc(CN[C@H](CC(F)F)C(=O)O)c(O)c1	1597100987	MATKBRUXYGJZHD-SNVBAGLBSA-N	289.278	1.989	10	20	CDCD	
COC[C@@H](CCO)NCc1ccc2c(c1)CCCO2	921764246	HRLSFIWNTDYKNV-CQSZACIVSA-N	265.353	1.499	10	20	CDCD	
O=C(O)C1CCC(C(=O)NCc2ccccc2O)CC1	851692805	PRUCRXCVKHBMQY-UHFFFAOYSA-N	277.320	1.899	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NCCNC(=O)C2CC2)c1	168734342	QLMJVGYSVJBSNR-SNVBAGLBSA-N	278.352	1.578	10	20	CDCD	
CNC[C@@H]1CCCN(Cc2cccc(OC)c2O)C1	40592714	OZVNDGHRANADNZ-LBPRGKRZSA-N	264.369	1.832	10	20	CDCD	
C[C@H]1CCC[C@@]1(O)CNC(=O)c1cccc(O)c1O	294389402	SLTNWJGWIKSHAS-LKFCYVNXSA-N	265.309	1.379	10	20	CDCD	
COc1cccc(CNC[C@H](C)CCCO)c1O	294821379	OXHBTYPSXYHLRG-LLVKDONJSA-N	253.342	1.899	10	20	CDCD	
C[C@H]1OCC[C@]1(O)CNCc1cc(F)cc(F)c1O	708535559	MOJWSPMWPJSNLE-OQPBUACISA-N	273.279	1.300	10	20	CDCD	
C[C@H]1CSC[C@H]1NC(=O)c1cccc(O)c1O	397945004	SHAWOOHVMQAYJQ-IONNQARKSA-N	253.323	1.579	10	20	CDCD	
Cc1cccc(O)c1CN1CCSC[C@H](C(=O)O)C1	1600543414	VKHVYLXIJSOMJW-LLVKDONJSA-N	281.377	1.950	10	20	CDCD	
Cc1cc(C(=O)NCc2ccc(N(C)C)cc2)no1	6792969	NQESLXHFMKBEIF-UHFFFAOYSA-N	259.309	1.979	10	20	CDCD	
CN(CC(=O)N1CCCCC1)Cc1ccccc1O	109769838	STCCBSUCQNRNOE-UHFFFAOYSA-N	262.353	1.837	10	20	CDCD	
CC1CCN(S(=O)(=O)Nc2ccc(O)cc2)CC1	20256167	HQNVGNDEKRLDJA-UHFFFAOYSA-N	270.354	1.781	10	20	CDCD	
COC(=O)CN(C)Cc1cc(Br)ccc1O	179392625	XDTKGQQEBFHSQD-UHFFFAOYSA-N	288.141	1.760	10	20	CDCD	
CO[C@@H]1CCN(Cc2cc(F)cc(C(C)=O)c2O)C1	300098211	QGYBPHFVXDDFOJ-GFCCVEGCSA-N	267.300	1.955	10	20	CDCD	
Oc1ccccc1CN1CCC(Cn2ccnn2)CC1	179587389	PBHNBIBGMCHBKH-UHFFFAOYSA-N	272.352	1.896	10	20	CDCD	
CN(Cc1ccc(N2CCOCC2)cc1)Cc1nnc[nH]1	179793360	LMOHLWFJFLPZCE-UHFFFAOYSA-N	287.367	1.273	10	20	CDCD	
C[S@@](=O)CCNCc1ccc(N2CCCC2)cc1	134742198	XAWQJFPJNMTTKY-SFHVURJKSA-N	266.410	1.755	10	20	CDCD	
CC(C)N(C)S(=O)(=O)Nc1ccc(O)c(C(=O)O)c1	49042203	HDHMLQHVXISDCD-UHFFFAOYSA-N	288.325	1.087	10	20	CDCD	
COc1ccc(O)c(CN2CC[C@H](C)[C@H]2CO)c1	191181276	IHPQFXDYBIKFGK-GXFFZTMASA-N	251.326	1.604	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)CCNC(N)=O)cc1	193569468	AAIDPNXWAHILLG-UHFFFAOYSA-N	292.383	1.207	10	20	CDCD	
CN(Cc1ccccc1O)[C@H]1CCS(=O)(=O)C1	96477925	BOYUOORTZYJMBG-NSHDSACASA-N	255.339	1.011	10	20	CDCD	
Cc1ccc([C@H](C)NCCS(C)(=O)=O)c(O)c1C	273603187	SNCPPWXHIGGMRI-NSHDSACASA-N	271.382	1.704	10	20	CDCD	
CCN(C)C(=O)CN[C@H](C)c1cc([N+](=O)[O-])ccc1O	274825336	ZPBHYSUPHOSHIO-SECBINFHSA-N	281.312	1.429	10	20	CDCD	
OCC[C@@]1(NCc2cc(F)ccc2O)CCOC1	278593138	FCRNCGWKXMTAGH-CYBMUJFWSA-N	255.289	1.162	10	20	CDCD	
CCCCN(Cc1ccccc1O)C(=O)c1cn(C)nn1	289606048	WXUWCUCMAWXLQA-UHFFFAOYSA-N	288.351	1.963	10	20	CDCD	
Nc1ccc(CCNC(=O)C[C@@H]2CCCC[C@H]2N)cc1	295218882	QTMMORRZUPKNAK-DZGCQCFKSA-N	275.396	1.835	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)CCc2ncc[nH]2)c1	806791671	GPMRLIPIRLLODY-JTQLQIEISA-N	289.335	1.934	10	20	CDCD	
O=C(NC[C@@H]1CCSC1)c1c(F)ccc(O)c1O	296096591	DHHQDJJICCIHEU-ZETCQYMHSA-N	271.313	1.720	10	20	CDCD	
C[C@@H](NC[C@@H]1CNCCCO1)c1ccc(F)cc1O	817981465	KOMOQWGRFBBURV-PWSUYJOCSA-N	268.332	1.560	10	20	CDCD	
COC(=O)[C@@H]1[C@H]2CN(Cc3cc(C)ccc3O)C[C@H]21	814173863	ZBUAKIVUKWLDJE-IMRBUKKESA-N	261.321	1.551	10	20	CDCD	
C[C@H](NCC[C@H]1CCNC1)c1cc([N+](=O)[O-])ccc1O	817955223	SVFLWUDVEUJKET-WDEREUQCSA-N	279.340	1.951	10	20	CDCD	
C[C@@H](NC(=O)c1cnn2c1OCCC2)c1ccccc1O	827947004	XZIIMBMLUKTZHP-SNVBAGLBSA-N	287.319	1.862	10	20	CDCD	
COC(=O)COc1ccc(N(C)CC[S@@](C)=O)cc1	828791904	YFIYDVGXPVCLIP-LJQANCHMSA-N	285.365	1.053	10	20	CDCD	
COCCN(CCN(C)C)C(=O)c1cc(O)cs1	826559721	HWYZQBVMBVTBOG-UHFFFAOYSA-N	272.370	1.104	10	20	CDCD	
O=C(CNC(=O)c1cc(O)cs1)Nc1ccccc1	731870940	SGSIMSQFOMORLV-UHFFFAOYSA-N	276.317	1.822	10	20	CDCD	
C[C@H](C1CCN(C)CC1)N(C)C(=O)Cc1ccc(N)cc1	831875859	CNVSHOIRONFUDP-CYBMUJFWSA-N	289.423	2.000	10	20	CDCD	
O=C(NCCOc1cccnc1)NCc1ccccc1O	734070060	YBMNVIFHEVBQSO-UHFFFAOYSA-N	287.319	1.665	10	20	CDCD	
CNCCCC(=O)NCc1c(O)ccc2c1CCCC2	830597620	QWOGLCIEVWMKNZ-UHFFFAOYSA-N	276.380	1.887	10	20	CDCD	
CO[C@H]1COCC[C@@H]1CNC(=O)c1ccc(C)c(O)c1O	836814937	NKIZZKKGRNTHTN-PWSUYJOCSA-N	295.335	1.188	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2C[C@@H]2C(=O)O)c1	911343054	JUSVCIQVGNFFQH-ONOSFVFSSA-N	279.292	1.299	10	20	CDCD	
CCOc1ccc(O)c(CN2CCC[C@@H]2CNC)c1	843055704	OGMLEMSCLXAHBX-CYBMUJFWSA-N	264.369	1.975	10	20	CDCD	
NC[C@H]1CN(Cc2ccc(N3CCCCC3)cc2)CCO1	843070696	WYERWSIUUWCWLQ-KRWDZBQOSA-N	289.423	1.836	10	20	CDCD	
CC[S@](=O)CCNCc1ccc(N(C)C)cc1C	840934360	PIFUKYJBAMBVLL-SFHVURJKSA-N	268.426	1.919	10	20	CDCD	
C[C@@H](CCN)NC(=O)NCCCSc1nccs1	841857937	RPTPMPJNNMNEMK-VIFPVBQESA-N	288.442	1.662	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCC[C@@H](N2CCOCC2)C1	854727459	YPGJZGCPWSVFKX-LLVKDONJSA-N	296.392	1.391	10	20	CDCD	
COC(=O)c1cccc(C(=O)NCc2ccccc2O)n1	769364159	YLMCKPWBSPTAKA-UHFFFAOYSA-N	286.287	1.504	10	20	CDCD	
CC(=O)N[C@](C)(C(=O)N(C)Cc1ccccc1O)C(C)C	934704950	MICCGXPBJMMQLL-INIZCTEOSA-N	292.379	1.901	10	20	CDCD	
CCO[C@@H]1COC[C@H]1NC(=O)N[C@H](C)c1ccccc1O	868685685	VQJFQQCDLCUGPY-MPKXVKKWSA-N	294.351	1.556	10	20	CDCD	
O=C1CN(Cc2cc3c(cc2O)CCCC3)CCN1	768438266	QZKJBJXQXANOLH-UHFFFAOYSA-N	260.337	1.203	10	20	CDCD	
CON(C)C(=O)C1CCN(Cc2c(C)cccc2O)CC1	877543858	IKJZTRCBAMHMEN-UHFFFAOYSA-N	292.379	1.932	10	20	CDCD	
CCN1CCCN(Cc2ccc(C)cc2O)CC1=O	877466648	ONUFJPIXBSYBOE-UHFFFAOYSA-N	262.353	1.755	10	20	CDCD	
Cc1cccc(O)c1CN1CCN(c2ncccn2)CC1	876527949	NCTCXGCXTJLBHM-UHFFFAOYSA-N	284.363	1.813	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNC[C@](C)(O)C(C)C)c1O	775015760	XGNUMAQIZVKKBB-AWEZNQCLSA-N	298.339	1.806	10	20	CDCD	
CCN(CC)c1ccc(CNCCC(N)=O)cc1F	776931620	FVPRZZYWOUWTHX-UHFFFAOYSA-N	267.348	1.637	10	20	CDCD	
CC[C@@H]1COCCN1CCNCc1ccc2c(c1)CCO2	873189030	NFQBRPLCROECHP-MRXNPFEDSA-N	290.407	1.822	10	20	CDCD	
CCn1cc(CC(=O)N(C)c2ccc(N)cc2)cn1	877074947	VPDXVVBHOSSYJA-UHFFFAOYSA-N	258.325	1.691	10	20	CDCD	
CC[C@@H](O)CCCNC(=O)/C=C/c1ccc(O)c(O)c1	779526850	ZCFXICFJJRKVOM-WAFBPQNNSA-N	279.336	1.778	10	20	CDCD	
O=C(NC[C@H]1COC2(CCCC2)O1)c1cc(O)cs1	774354277	GIIXRMVOYAXSKM-JTQLQIEISA-N	283.349	1.869	10	20	CDCD	
CN1CCC[C@@H]1CNC(=O)/C=C/c1ccc(O)c(O)c1	779522770	VHJHLFYJGFVJCM-HOSRBBHYSA-N	276.336	1.321	10	20	CDCD	
COC1(CO)CCN(Cc2cccc(C)c2O)CC1	775202234	GDKKGJYUBFKFDN-UHFFFAOYSA-N	265.353	1.674	10	20	CDCD	
COC(=O)[C@@H]1C[C@H](O)CN(Cc2c(C)cccc2O)C1	877607385	ACQHYCFALZZBDF-NEPJUHHUSA-N	279.336	1.056	10	20	CDCD	
CCOc1ccc(CN2CC[C@H](C)C[C@H]2C(N)=O)c(O)c1	779201374	YUUDHCQLTHJVCM-FZMZJTMJSA-N	292.379	1.877	10	20	CDCD	
O=C(CCn1cccc1)NCc1ccc(O)c(O)c1	778929385	JMYQNMMTLKXZIH-UHFFFAOYSA-N	260.293	1.606	10	20	CDCD	
C[C@H](O)C[C@@H](C)NC(=O)NCc1ccc(N(C)C)c(F)c1	783201692	XIDXZUCEQDOADZ-MNOVXSKESA-N	297.374	1.850	10	20	CDCD	
CC(C)[C@@H](NC(=O)c1cccc(O)c1O)c1cnn(C)c1	885424025	JCWOZZRPQJQGRV-CYBMUJFWSA-N	289.335	1.958	10	20	CDCD	
CCN(C[C@H]1CCOC1)C(=O)c1ccc(C)c(O)c1O	780905951	HEQLAXAHDQZJNN-LLVKDONJSA-N	279.336	1.905	10	20	CDCD	
CCOc1ccc(CN2[C@@H](C)[C@H](C)NC(=O)[C@H]2C)c(O)c1	895113688	JTMZYKJCHXJYDT-SDDRHHMPSA-N	292.379	1.888	10	20	CDCD	
C[C@H]1CN(Cc2cc(Cl)cc(F)c2O)C[C@@H](CO)O1	787417896	QSMZRMZAASOISG-KWQFWETISA-N	289.734	1.766	10	20	CDCD	
O=S1(=O)CC[C@H](NCc2c(O)cccc2Cl)C1	83551550	KJAUOFBBJUSQTL-QMMMGPOBSA-N	275.757	1.322	10	20	CDCD	
CC[C@@H](C)[C@H](O)CNC(=O)c1cccc(O)c1O	185855184	LHPIZKHRAALBJK-LDYMZIIASA-N	253.298	1.235	10	20	CDCD	
COc1ccc(CNC(=O)c2cnn(C)c2)c(O)c1	794382604	ZAWCFUQEGCHEQL-UHFFFAOYSA-N	261.281	1.064	10	20	CDCD	
COc1ccc(CNC(=O)c2c[nH]nc2C2CC2)c(O)c1	794372569	AZLMSJAPWALWDA-UHFFFAOYSA-N	287.319	1.931	10	20	CDCD	
COC(=O)[C@@H]1[C@H]2CN(Cc3ccc(N(C)C)cc3)C[C@H]21	794968174	PPKZWOKOOLOHHO-FICVDOATSA-N	274.364	1.603	10	20	CDCD	
COc1cccc(CNC(=O)c2[nH]ccc2C)c1O	797943583	TZQRSOJEXOQZLQ-UHFFFAOYSA-N	260.293	1.967	10	20	CDCD	
CNC(=O)[C@]1(C)CCN(Cc2cc(C)cc(OC)c2O)C1	797415329	UPRGGOAMIBRMRO-MRXNPFEDSA-N	292.379	1.667	10	20	CDCD	
CCN(C[C@H]1CCOC1)C(=O)c1cccc(O)c1O	790590010	NFRMCOQZCOGMTA-SNVBAGLBSA-N	265.309	1.596	10	20	CDCD	
C[C@@H](NC(=O)NCCCON)c1ccccc1O	1338753729	DUQMZKYDJQLZRG-SECBINFHSA-N	253.302	1.033	10	20	CDCD	
Nc1ccc(CCNC(=O)C(=O)NC[C@@H]2C=CCC2)cc1	1331634986	DUBDSXGWURBYDD-CYBMUJFWSA-N	287.363	1.010	10	20	CDCD	
Nc1ccc(CN(CCO)Cc2cccnc2)cc1	1262487018	HVOBLHOJLZJJND-UHFFFAOYSA-N	257.337	1.658	10	20	CDCD	
Nc1ccc(CC(=O)N2CCOC[C@H]2C2CCC2)cc1	1514643909	GCROMKMRLHCXQI-HNNXBMFYSA-N	274.364	1.839	10	20	CDCD	
Cn1nc(C2CC2)cc1CNC(=O)Cc1ccc(N)cc1	1523211929	ZOIZYEPHVDFDHN-UHFFFAOYSA-N	284.363	1.739	10	20	CDCD	
O=C(NCc1cccc(O)c1O)c1cnn2c1CCC2	1521852510	WONRNDACWSGVSM-UHFFFAOYSA-N	273.292	1.171	10	20	CDCD	
CCNCCCN[C@H](C)c1cc(C(=O)O)ccc1O	1610011321	PREANFUZEFHMGD-SNVBAGLBSA-N	266.341	1.741	10	20	CDCD	
CN(C)c1cccnc1C(=O)NCCc1ccc(N)cc1	1578429383	WVBBWXMRQKKATL-UHFFFAOYSA-N	284.363	1.702	10	20	CDCD	
O=C(NCc1cc(O)ccc1O)c1cccc2c1CNC2	1580712138	WNOMRBDURBAYQU-UHFFFAOYSA-N	284.315	1.631	10	20	CDCD	
O=C(O)CC[C@@H](NCc1cc(F)cc(F)c1O)C(=O)O	1595063085	DJHDKTLUNVXXFE-SECBINFHSA-N	289.234	1.078	10	20	CDCD	
CCOC[C@H](NCc1ccc(N(C)C)cc1)C(=O)O	1776906280	BJYHHMNQFNXICO-ZDUSSCGKSA-N	266.341	1.332	10	20	CDCD	
CC(C)[C@@H](O)CNCc1ccc(N2CCOCC2)cc1	134700983	GLLVPRUAWYMUFK-INIZCTEOSA-N	278.396	1.630	10	20	CDCD	
COCC(=O)N1CCN(Cc2cc(C)cc(C)c2O)CC1	164119409	WDTKLRAQPZWNDE-UHFFFAOYSA-N	292.379	1.300	10	20	CDCD	
CNC(=O)C[C@H](C)NCc1ccc2c(c1)CCCO2	922161340	BHITUYYFEPKBBD-NSHDSACASA-N	262.353	1.626	10	20	CDCD	
Cn1nc(C(=O)NCc2ccccc2O)cc1Cl	857471483	AHJMGFMZGFVHLS-UHFFFAOYSA-N	265.700	1.709	10	20	CDCD	
COc1cccc(O)c1CNCC[C@H](O)C1CC1	898206010	JQKKGCKGEONPPN-LBPRGKRZSA-N	251.326	1.651	10	20	CDCD	
Nc1ccc(CCNC(=O)[C@H]2CC23CCOCC3)cc1	237945648	FMXVWBNFFQVKCM-CQSZACIVSA-N	274.364	1.744	10	20	CDCD	
COC[C@@H](C)S(=O)(=O)N(C)Cc1ccccc1O	159637472	ZBKMASZINILJHT-SNVBAGLBSA-N	273.354	1.189	10	20	CDCD	
C[C@H](CN1CCOCC1)N[C@H](C)c1ccccc1O	36933248	DWJRVQMBGSEXHD-CHWSQXEVSA-N	264.369	1.764	10	20	CDCD	
Cc1n[nH]c(C)c1S(=O)(=O)NCc1ccccc1O	164109044	ASZGORYWZKPDNI-UHFFFAOYSA-N	281.337	1.211	10	20	CDCD	
COCC[C@@](C)(O)CNCc1ccc(N(C)C)cc1	172070447	MSMDMWXBUZLRDD-OAHLLOKOSA-N	266.385	1.630	10	20	CDCD	
CC[C@H](C)[C@@H](CNC(=O)c1cccc(O)c1O)OC	294239944	PCXSXRBGGTUSQF-JOYOIKCWSA-N	267.325	1.889	10	20	CDCD	
COC[C@@](C)(O)CN[C@H](C)c1cc(F)ccc1O	382571317	QNGXDAMOJWJNHY-RNCFNFMXSA-N	257.305	1.579	10	20	CDCD	
CNC(=O)[C@H]1CCCN(Cc2cc3c(cc2O)OCO3)C1	118963679	PEVYFVMLIAIDRZ-JTQLQIEISA-N	292.335	1.079	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)COCCOC)cc1	79390197	VKTLEDTVPGTKQT-UHFFFAOYSA-N	294.395	1.812	10	20	CDCD	
COc1cc(O)c(CNC[C@@H]2CC[C@@H](O)C2)cc1OC	187985164	PWOBOMTUGHFZMW-ZYHUDNBSSA-N	281.352	1.660	10	20	CDCD	
COCCC1(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)CC1	186406761	IJKXFYRSIAVHEM-NSHDSACASA-N	293.363	1.962	10	20	CDCD	
CCN(C)c1ccc([C@@H](C)NCCS(=O)(=O)NC)cc1	187190936	RIANKRVTAZFWLU-GFCCVEGCSA-N	299.440	1.343	10	20	CDCD	
COc1cccc(CNC(=O)N[C@@H](C)CSC)c1O	74327876	LUJVCJPQONRLAU-VIFPVBQESA-N	284.381	1.952	10	20	CDCD	
CC[C@@](C)(CCO)NC(=O)/C=C/c1ccc(O)c(O)c1	181323828	NDQHCODMNKJKMY-ZKKXHLJNSA-N	279.336	1.778	10	20	CDCD	
COc1cccc(CN2C[C@H](C)[C@@H](C(=O)O)C2)c1O	86774523	NBMICBJYCPJAHB-ONGXEEELSA-N	265.309	1.553	10	20	CDCD	
CCN(CC)C(=O)CSc1ncc(C(=O)OC)s1	295159625	GPSCYVZVBKSVGH-UHFFFAOYSA-N	288.394	1.890	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2CCC(OC)CC2)c1O	278181265	GZGLLFZHQIMQAT-UHFFFAOYSA-N	296.323	1.920	10	20	CDCD	
Cc1cc(O)c(CN2CCC[C@@H](S(N)(=O)=O)C2)cc1C	372746595	WVUNNSAABHHFRZ-CYBMUJFWSA-N	298.408	1.262	10	20	CDCD	
C[C@H]1C[C@H](N2CCOCC2)CN1C(=O)c1cc(O)cs1	807690497	SZYCGCAMFAVLNO-QWRGUYRKSA-N	296.392	1.389	10	20	CDCD	
CO[C@](C)(C(=O)N[C@H](C)Cc1ccc(O)c(O)c1)C1CC1	291757338	VCYQMJAVQXXBEK-HWPZZCPQSA-N	293.363	1.960	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H]2CSC[C@@H]2C)c(O)c1O	804504400	RTNFACPMGQPUGZ-WCBMZHEXSA-N	267.350	1.888	10	20	CDCD	
OC[C@]1([C@H](NCc2cc(F)ccc2O)C2CC2)CCCO1	816666298	JOUHYNFRHLETKZ-CVEARBPZSA-N	295.354	1.941	10	20	CDCD	
Cc1ccc(C(=O)OCCOC(C)C)c(O)c1O	727003750	DPVXJCLLNAMBTG-UHFFFAOYSA-N	254.282	1.988	10	20	CDCD	
Cc1cc(O)c(CNCCCCS(C)(=O)=O)cc1C	818225808	IURXLKBKHQLKRG-UHFFFAOYSA-N	285.409	1.923	10	20	CDCD	
COCCC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	727100147	OIASSYTXPMINMT-UHFFFAOYSA-N	292.379	1.518	10	20	CDCD	
CNC(=O)CCCC(=O)N[C@H](C)c1ccccc1O	827940857	JLSCAJWSYFYRAQ-SNVBAGLBSA-N	264.325	1.486	10	20	CDCD	
Cc1ccc(C(=O)NCCCCC(=O)O)c(O)c1O	821063890	HHDAYLGOETWTAT-UHFFFAOYSA-N	267.281	1.391	10	20	CDCD	
CC[C@@H](O)[C@H](C)C(=O)NCc1cc(OC)ccc1O	901130362	HVLZPFLGHAUDDJ-JOYOIKCWSA-N	267.325	1.424	10	20	CDCD	
CC(C)(C)c1n[nH]c(CNC(=O)c2cc(O)cs2)n1	839800994	ZXHABCHIKWKWPB-UHFFFAOYSA-N	280.353	1.799	10	20	CDCD	
O=C(O)/C=C/c1ccc(N2CC[C@@H](CO)C2)c([N+](=O)[O-])c1	739626936	WCABDQGHRHDYJV-JRBALWBOSA-N	292.291	1.511	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CCCNC(=O)O	737477338	QOBUTMMEGNEZHE-UHFFFAOYSA-N	293.367	1.759	10	20	CDCD	
CC(C)OC(=O)CCNC(=O)Cc1ccc(N)cc1	831789999	YJYAZDUAAZQBPB-UHFFFAOYSA-N	264.325	1.269	10	20	CDCD	
Cc1cc(CN[C@H](CO)[C@H]2CCCOC2)ccc1N(C)C	839648611	CRICSSLPDIFHFC-JKSUJKDBSA-N	292.423	1.938	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1CCCN(C(N)=O)CC1	840912381	FULLQZFSXSYLNM-UHFFFAOYSA-N	290.411	1.647	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)N[C@H](CN)C2CC2)c1	841946105	GHLRDBBVKGOFSM-NOZJJQNGSA-N	293.367	1.498	10	20	CDCD	
CCSCCCNC(=O)C(=O)Nc1ccc(N)cc1	841125751	BWKURQRTMVYJQR-UHFFFAOYSA-N	281.381	1.467	10	20	CDCD	
CN(C)c1ccc([C@H](N)CNCc2cnc(N)s2)cc1	843126697	UNXMJYVYODGNOI-CYBMUJFWSA-N	291.424	1.581	10	20	CDCD	
COc1ccc(N(C)CCN(C)CC(OC)OC)cc1	844402401	WUDSNMJKEVHJQH-UHFFFAOYSA-N	282.384	1.682	10	20	CDCD	
Cc1ccc(C(=O)N2CCO[C@H](CF)C2)c(O)c1O	840484279	QPQHPMFHRHUBRM-SECBINFHSA-N	269.272	1.217	10	20	CDCD	
CN(C)c1ccc(CNC[C@H]2CCCN2)cc1F	841037072	YHKCUIMVGXBEOJ-GFCCVEGCSA-N	251.349	1.733	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)NC[C@H](N)C(C)C	841828528	VAWJZXFJHROHFU-HNNXBMFYSA-N	292.427	1.844	10	20	CDCD	
COc1cc(O)c(CN(C)C2CC(N)C2)cc1OC	843125433	WLUMUTLHXDJYNC-UHFFFAOYSA-N	266.341	1.331	10	20	CDCD	
C=CC(=O)N(CC)CC(=O)N[C@H](C)c1ccccc1O	913763387	FHKVHEBHCFCBAT-LLVKDONJSA-N	276.336	1.604	10	20	CDCD	
C[C@@H](C[C@@H](C)O)NC(=O)NCCc1ccc(N)cc1	841960318	MFRIIVGZGJSGPT-WDEREUQCSA-N	265.357	1.270	10	20	CDCD	
COC[C@@]1(CNCc2ccc(OC)c(C)c2)CCCN1	841067709	OWMKRNFFWHQFLK-INIZCTEOSA-N	278.396	1.862	10	20	CDCD	
CC[C@H](CS(=O)(=O)NCCc1ccc(N)cc1)OC	842822439	WGQDVVHZAGNZBA-CYBMUJFWSA-N	286.397	1.156	10	20	CDCD	
CCCN1CC(=O)N[C@H]1c1cccc(Br)c1O	840823875	GRNMMKROKBYZGU-GFCCVEGCSA-N	299.168	1.995	10	20	CDCD	
CC(C)N(C)C[C@H](C)NC(=O)/C=C/c1ccc(O)c(O)c1	753030717	VXZYNBKZWHTKHP-WMADIVHISA-N	292.379	1.956	10	20	CDCD	
CN(C)c1cc(F)c(CN[C@H]2C[C@@H](O)C2)cc1F	858173816	KCPLHYMDRRUDEK-AOOOYVTPSA-N	256.296	1.644	10	20	CDCD	
CNC[C@@H](C)NC(=O)NCc1ccc(N2CCCC2)cc1	851655059	OBLZDRHKJVTKOV-CYBMUJFWSA-N	290.411	1.694	10	20	CDCD	
COc1cc(O)c(CN(C)C[C@@H]2COCCO2)cc1OC	853557561	MCFXJVIRMYRWDQ-GFCCVEGCSA-N	297.351	1.257	10	20	CDCD	
Cc1nc(S(=O)(=O)N[C@H](C)c2ccccc2O)cn1C	867834057	KGVURUCDWUHJMU-SECBINFHSA-N	295.364	1.474	10	20	CDCD	
CCOc1ccc(CN2CCC[C@@H]2CO)c(O)c1	768239046	BILPSINYTWDGQL-GFCCVEGCSA-N	251.326	1.748	10	20	CDCD	
COc1ccc(O)c(CN[C@H](CCO)C2CCOCC2)c1	764679230	QONSJYMSSIOHHT-OAHLLOKOSA-N	295.379	1.668	10	20	CDCD	
COC(=O)C1(C(=O)NCc2cc(C)ccc2O)CC1	862757181	KJUCIRVQFBRXDQ-UHFFFAOYSA-N	263.293	1.270	10	20	CDCD	
O=C(NCc1ccccc1O)[C@@H]1CCCN1c1ncccn1	769362013	DANOUWXNXBJJQJ-ZDUSSCGKSA-N	298.346	1.467	10	20	CDCD	
CN1CC[C@H](N(C)Cc2cc(Cl)cc(F)c2O)C1=O	775710108	IVBBNCDRRIEIFY-NSHDSACASA-N	286.734	1.847	10	20	CDCD	
COCC[C@H](C)NC(=O)NCc1ccc(N)cc1	1120591286	XEHWUZHKAXJVHO-JTQLQIEISA-N	251.330	1.493	10	20	CDCD	
CCOC(=O)[C@H](C)NC(=O)/C=C/c1ccc(O)c(O)c1	779500203	QPGZONQANMASPK-IWGCBNPKSA-N	279.292	1.179	10	20	CDCD	
C[C@@H](NC(=O)c1cnn2c1NCCC2)c1ccccc1O	1123963757	GYCALOQRVIJTLF-SNVBAGLBSA-N	286.335	1.895	10	20	CDCD	
O=C(NCc1c(O)cccc1F)N[C@H]1C[C@H](C(=O)O)C1	1121836170	HCGYKXIAINJZSH-ZKCHVHJHSA-N	282.271	1.194	10	20	CDCD	
O=C1C[C@@H](CNCc2cc(F)cc(F)c2O)CN1C1CC1	883158418	FRGZAGAOZLRSGG-VIFPVBQESA-N	296.317	1.771	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)NC(C)(C)C(=O)O	780577965	VKTKCFKAHKQSPZ-UHFFFAOYSA-N	293.367	1.723	10	20	CDCD	
COc1ccc(CNC[C@H]2CN(C(C)=O)CCO2)cc1C	1051382264	YQICCUKYMKIXFJ-HNNXBMFYSA-N	292.379	1.341	10	20	CDCD	
C[C@@H](CNC(=O)c1c(F)ccc(O)c1O)Cn1cccn1	789956209	DICRKQXXANOKAP-VIFPVBQESA-N	293.298	1.500	10	20	CDCD	
Cc1ccc(O)c(CN[C@@H](C)CS(C)(=O)=O)c1	78639589	KPCSSEJCDNSAOK-JTQLQIEISA-N	257.355	1.223	10	20	CDCD	
C[C@H]1CN(Cc2cc(Br)ccc2O)C[C@@H]1O	897684438	OYSIBEFBCCBQRY-UFBFGSQYSA-N	286.169	1.967	10	20	CDCD	
COc1ccc(CNCCCN(C)C)c(O)c1OC	892429857	SBBPFHSKYYSXLL-UHFFFAOYSA-N	268.357	1.451	10	20	CDCD	
O=C(c1c(F)ccc(O)c1O)N1CCC2(CC1)OCCO2	789954123	CSDLNDVGZPLHAL-UHFFFAOYSA-N	297.282	1.216	10	20	CDCD	
CCN(C)C(=O)[C@H](C)NCc1cccc(OC)c1O	188496477	GWHCBKPIHGQPBT-JTQLQIEISA-N	266.341	1.357	10	20	CDCD	
CC(C)(CNCc1cc(F)cc(F)c1O)S(C)(=O)=O	708558829	LEOBQMLUVNUWAU-UHFFFAOYSA-N	293.335	1.583	10	20	CDCD	
COc1cccc(O)c1CN1CCC(S(C)(=O)=O)CC1	769485644	XTLHIBRSOZHWKC-UHFFFAOYSA-N	299.392	1.410	10	20	CDCD	
CN1CCN(C(C)(C)CNC(=O)c2cc(O)cs2)CC1	1330887156	RGLRGHDAAIXSOS-UHFFFAOYSA-N	297.424	1.210	10	20	CDCD	
NOCCCNC(=O)NCc1ccc(N2CCCC2)cc1	1335351529	QEILQDNFCOMYSX-UHFFFAOYSA-N	292.383	1.366	10	20	CDCD	
C[C@@H]1CCCN(C(=O)/C=C\c2ccc(O)c(O)c2)[C@@H]1CO	1348582746	WGPKDEFSBZZACY-HHQZKXIDSA-N	291.347	1.730	10	20	CDCD	
CCOc1cccc(CN2CCCS(=O)(=O)CC2)c1O	219780662	TVCHHOQGUGFJOW-UHFFFAOYSA-N	299.392	1.411	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)Nc1ncncc1C(=O)O	1604231602	CQGOWNSKPVNMBF-MRVPVSSYSA-N	289.291	1.629	10	20	CDCD	
C[C@@H](NCCCC(=O)O)c1cc([N+](=O)[O-])ccc1O	1603248780	RMMYLBDTRABPHS-MRVPVSSYSA-N	268.269	1.816	10	20	CDCD	
CCCN(CC(=O)O)Cc1cc(F)c(F)cc1O	1573854344	ZVCZOQHEHDLDJJ-UHFFFAOYSA-N	259.252	1.967	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN(C)Cc1cnn[nH]1	1577339554	WMKOORGBCOSLDQ-UHFFFAOYSA-N	259.357	1.811	10	20	CDCD	
C[C@@H](NC(=O)[C@H]1CC[C@H]1C(=O)O)c1ccccc1O	1594206641	KQCJVJMKDQILSQ-DVVUODLYSA-N	263.293	1.680	10	20	CDCD	
Nc1ccc(CC(=O)N[C@@H]2CCNC3(CCC3)C2)cc1	843508255	UDKXNRODMFFHPH-CQSZACIVSA-N	273.380	1.602	10	20	CDCD	
COc1ccc(N(C)CC(=O)N2CCO[C@@H](C)C2)cc1	844353057	FBULZTZZHNZOEP-LBPRGKRZSA-N	278.352	1.379	10	20	CDCD	
Cc1ccc(CNCC2CC3(C2)OCCO3)c(O)c1	896909672	WTFWUJRADHUNKK-UHFFFAOYSA-N	263.337	1.943	10	20	CDCD	
CN(C(=O)COC[C@@H]1CCCO1)c1ccc(N)cc1	37274733	IMAWOMAAVZJBCI-ZDUSSCGKSA-N	264.325	1.427	10	20	CDCD	
COCCN(C)CCNCc1ccc(OC)c(C)c1	61377170	AQVYLJSNJHGPGU-UHFFFAOYSA-N	266.385	1.671	10	20	CDCD	
O=C(O)C(=O)NCc1cc(Cl)cc(Cl)c1O	309664369	HBDKFUCSTWBJAS-UHFFFAOYSA-N	264.064	1.400	10	20	CDCD	
NC(=O)CN(Cc1cc(F)cc(F)c1O)C1CCCC1	708433582	MOLZEEUACPLMCN-UHFFFAOYSA-N	284.306	1.900	10	20	CDCD	
CON1CCC(N[C@@H]2CCc3cccc(O)c32)CC1	709372969	FMWODMJPFDDIJA-CYBMUJFWSA-N	262.353	1.995	10	20	CDCD	
CN(CC1=CCSC1)C(=O)c1cccc(O)c1O	856369557	NJRYMPIHVQALHV-UHFFFAOYSA-N	265.334	1.843	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CNC(C)(C)C)cc1F	51415149	VBDKHNMNZOPYBQ-UHFFFAOYSA-N	281.375	1.896	10	20	CDCD	
CN(Cc1nnc[nH]1)Cc1cc(Cl)cc([N+](=O)[O-])c1O	179792578	VJGYVLHUBHZATM-UHFFFAOYSA-N	297.702	1.704	10	20	CDCD	
Cc1cccc(CN2CCN(CC(C)(C)O)CC2)c1O	180010235	WGUUKGJFZBNRIE-UHFFFAOYSA-N	278.396	1.589	10	20	CDCD	
COc1cc(C(=O)NCCc2ccc(O)c(O)c2)on1	159461693	GYIFERXAVHZTDL-UHFFFAOYSA-N	278.264	1.067	10	20	CDCD	
O=C1OCC[C@]12CCCN2Cc1cc(F)ccc1O	190042161	LSCOUYCXRYHXCH-CQSZACIVSA-N	265.284	1.813	10	20	CDCD	
COCCc1nc(CN(C)Cc2ccccc2O)no1	289370030	ODJWWVMNNHMOOZ-UHFFFAOYSA-N	277.324	1.596	10	20	CDCD	
COc1ccc(N2CCN(Cc3c[nH]cn3)CC2)cc1	179530372	WSYPHOZODDZIOJ-UHFFFAOYSA-N	272.352	1.741	10	20	CDCD	
Cc1cc(C(=O)N2CC[C@H](N)C2)c(C)n1-c1ccccn1	237708654	MVFRIFABZNSRMP-ZDUSSCGKSA-N	284.363	1.662	10	20	CDCD	
CCOc1ccc(O)c(CN2CC[C@H](O)[C@@H](C)C2)c1	250112635	TWCGFIQHSNTDKJ-FZMZJTMJSA-N	265.353	1.994	10	20	CDCD	
O=S(=O)(NCc1ccc(N2CCOCC2)cc1)C1CC1	266173552	NUHJFULAVCLGQV-UHFFFAOYSA-N	296.392	1.105	10	20	CDCD	
CCN(CC)c1ccc(CNC[C@H](O)CO)cc1F	276710098	GNEXFJARHPQEKJ-LBPRGKRZSA-N	270.348	1.115	10	20	CDCD	
CC(=O)C(=O)CSc1nnnn1Cc1cccs1	289583926	IZHQAFMCGLOQFJ-UHFFFAOYSA-N	282.350	1.033	10	20	CDCD	
CC[C@H](NCCS(C)(=O)=O)c1ccc(F)cc1O	285910519	DFLJRLYWKXEAMP-NSHDSACASA-N	275.345	1.617	10	20	CDCD	
O=C(c1cc(O)cs1)N1CC[C@@H](C(=O)N2CCCC2)C1	807817941	BKYZVXHLEJXXSD-SNVBAGLBSA-N	294.376	1.538	10	20	CDCD	
Cc1cc(C)c([C@H](C)N[C@H]2CC(=O)N(C)C2)c(O)c1	293754888	OLUCFPSKDUFODE-RYUDHWBXSA-N	262.353	1.890	10	20	CDCD	
CCOC(=O)[C@@H](F)C1CN(C(=O)c2cccc(O)c2O)C1	294144325	LTIXIOIMCUGCCU-NSHDSACASA-N	297.282	1.071	10	20	CDCD	
CCc1nc(CNC(=O)c2ccc(C)c(O)c2O)n[nH]1	295735189	RZSSYYPRVWZCTP-UHFFFAOYSA-N	276.296	1.017	10	20	CDCD	
O=C1NN(c2ccccc2)C(=O)/C1=C/c1cccnc1	728697448	GJVQVGFQZLOHBJ-UKTHLTGXSA-N	265.272	1.543	10	20	CDCD	
C[C@@H]1[C@H](O)CCN1Cc1cc2c(cc1O)OCO2	825103428	FFHXEMGUOLHNMV-PSASIEDQSA-N	251.282	1.076	10	20	CDCD	
COc1cccc(CN2C[C@H](C)[C@](C)(CO)C2)c1O	827699076	DRNJGJHHQXOGHN-NHYWBVRUSA-N	265.353	1.851	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)[C@H]1C[C@@H](O)C1	820879946	VJOQWEDDVPIYTE-BETUJISGSA-N	263.337	1.902	10	20	CDCD	
COc1cccc(CNC[C@@H]2CCCN2CCCO)c1O	824559231	LLAGKBGLFDIPKG-AWEZNQCLSA-N	294.395	1.337	10	20	CDCD	
CCOc1ccc(CN[C@H](CC)C(=O)NC)c(O)c1	825316544	PPQHZWVSZZJSPF-GFCCVEGCSA-N	266.341	1.405	10	20	CDCD	
O=C1CN(C(=O)/C=C/c2cccnc2)c2ccncc2N1	491902317	DYEJOKHHOXPGSD-ONEGZZNKSA-N	280.287	1.475	10	20	CDCD	
COc1cccc(CN2CC(OCC(F)F)C2)c1O	839137354	FARQSSKBPDPYQN-UHFFFAOYSA-N	273.279	1.867	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](C)CC(=O)O)c1	832424442	FAQMALQVJXGUIA-DTWKUNHWSA-N	281.308	1.689	10	20	CDCD	
NCC[C@H](NC(=O)Cc1ccc(N)cc1)C(F)(F)F	834861838	NOAHCKQGVOGMKA-JTQLQIEISA-N	275.274	1.207	10	20	CDCD	
C[C@@H](N)[C@@H]1CCCCN1C(=O)Cc1ccc(N)cc1	237355388	YWRQOKRLALYYCU-RISCZKNCSA-N	261.369	1.540	10	20	CDCD	
CCCNCCNC(=O)N[C@@H](C)c1cc(OC)ccc1O	841962149	WZPNAACIDZQRDP-NSHDSACASA-N	295.383	1.761	10	20	CDCD	
CC(C)CC(=O)N(CC(=O)O)Cc1ccccc1O	911484789	QLIPOLAJWBFPIP-UHFFFAOYSA-N	265.309	1.852	10	20	CDCD	
O=C(NCc1cc(Cl)ccc1O)[C@H]1COCCO1	846471858	BUNUAFBUEJBOKM-LLVKDONJSA-N	271.700	1.077	10	20	CDCD	
COC[C@]1(CNCc2ccccc2O)CCCN1	841067917	QOJZIFJOYXMYAY-CQSZACIVSA-N	250.342	1.250	10	20	CDCD	
CCOc1ccc(O)c(CN(C)[C@@H](C)CCO)c1	846111221	MXRMWYCGGYGMPD-NSHDSACASA-N	253.342	1.994	10	20	CDCD	
C[C@@]1(CNC(=O)NCCc2ccc(N)cc2)CCOC1	841818892	XCUYLQQWPSKWMX-HNNXBMFYSA-N	277.368	1.537	10	20	CDCD	
CC(C)NCCCNC(=O)N(C)Cc1ccccc1O	841934188	RCKSBHSAYJTKOU-UHFFFAOYSA-N	279.384	1.922	10	20	CDCD	
C[C@@H](CN)NC(=O)NCc1ccc(N(C)C)c(F)c1	841762720	ZUYDFEJMQBNTMT-VIFPVBQESA-N	268.336	1.038	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)NC[C@H](C)N	841824465	PPYWECFGLCFPLM-NSHDSACASA-N	264.373	1.207	10	20	CDCD	
CN(C)c1ccc([C@@H](N)CNC2CCC(N)CC2)cc1	841044374	WEWFSJPAKYWRNG-XUJLQICISA-N	276.428	1.612	10	20	CDCD	
CN(C)c1ccc(CNC(=S)NC[C@@H]2CCOC2)cc1	749666260	POLNMEYVSRWTSO-ZDUSSCGKSA-N	293.436	1.753	10	20	CDCD	
CN[C@@H]1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2O)C1	843045558	VCJQVAONYPEREB-SNVBAGLBSA-N	281.312	1.103	10	20	CDCD	
CC(C)[C@H](C)N(C)C(=O)C(=O)NCCc1ccc(N)cc1	842238656	VMTQIZRZQCPEOT-LBPRGKRZSA-N	291.395	1.430	10	20	CDCD	
Nc1ccc(CNC(=O)[C@H]2CCc3ncncc3C2)cc1	843257161	MPLCDFOTABISMM-LBPRGKRZSA-N	282.347	1.480	10	20	CDCD	
COCC1(CNCc2ccccc2O)CCNCC1	841068389	NMZJSVYALLBHJT-UHFFFAOYSA-N	264.369	1.498	10	20	CDCD	
Nc1ccc(CCNC(=O)N2CCOC[C@@H]2C2CC2)cc1	841960479	RPFHQSMFSQYOJE-OAHLLOKOSA-N	289.379	1.632	10	20	CDCD	
COC(=O)[C@H]1CN(Cc2ccc(N(C)C)cc2C)CCO1	840914238	RPLJHFPJJKOWBQ-OAHLLOKOSA-N	292.379	1.435	10	20	CDCD	
CCC[C@@H]1CNCCN1Cc1cc(OC)ccc1O	843057294	ACIUHPMKPKIARX-CYBMUJFWSA-N	264.369	1.975	10	20	CDCD	
Cc1ccc(C(=O)N(CCOCCO)C(C)C)c(O)c1O	854388919	FJGMTEIQSOTASO-UHFFFAOYSA-N	297.351	1.266	10	20	CDCD	
CC[S@@](C)(=O)=NC(=O)/C=C\c1ccc(O)c(O)c1	925833883	LJSZZWZJJCNUAY-LZCIBIBXSA-N	269.322	1.755	10	20	CDCD	
Cc1cc(=O)n(C)cc1NC(=O)c1cc(O)cs1	754456152	OYGQSSXDMQPDIJ-UHFFFAOYSA-N	264.306	1.713	10	20	CDCD	
CCC[C@@H](O)CC(=O)NCc1cccc(OC)c1O	750424995	XBVIGYIVRPJIKC-LLVKDONJSA-N	267.325	1.568	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@](C)(OC)C(=O)O)c1	852942448	IUKRKPLFCJCNRH-RTHLEPHNSA-N	297.307	1.068	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)/C=C/CN1CCOCC1	866596976	MEFVGOLAJDESGH-QPJJXVBHSA-N	290.363	1.239	10	20	CDCD	
C[C@@H](NC(=O)NCCNC(=O)C1CC1)c1ccccc1O	868083179	MVFIXMAEWSMYRT-SNVBAGLBSA-N	291.351	1.279	10	20	CDCD	
CN1CCCc2cc(CNC(=O)c3nc(=N)cc[nH]3)ccc21	865921704	OMPXMWNLAJWOSR-UHFFFAOYSA-N	297.362	1.202	10	20	CDCD	
C[C@H](N)CN(C)C(=O)NCc1ccc2c(c1)CCCN2C	861567318	CSAZZAQUCKYKIZ-LBPRGKRZSA-N	290.411	1.558	10	20	CDCD	
NC(=O)Nc1cccc(C(=O)NCc2ccccc2O)c1	769361587	PHEISYDENFAKJX-UHFFFAOYSA-N	285.303	1.813	10	20	CDCD	
Oc1cc2c(cc1CN1CC[C@H](CF)C1)[C@@H](O)CO2	1119331216	MZLPWJHZRJHWOZ-RNCFNFMXSA-N	267.300	1.609	10	20	CDCD	
Cc1cccc(O)c1CNC[C@H]1CCCN1S(C)(=O)=O	877118941	QCYOJWGIMSFEBL-GFCCVEGCSA-N	298.408	1.214	10	20	CDCD	
C[C@]1(NC(=O)/C=C\c2ccc(O)c(O)c2)CCCOC1	779546643	ZLBGXKNBJUQUCK-VOKGJARPSA-N	277.320	1.796	10	20	CDCD	
OC1CCN(c2ccc(CN3CCC[C@H](O)C3)cc2)CC1	876528202	SHAYAIHTHSQCQZ-KRWDZBQOSA-N	290.407	1.604	10	20	CDCD	
COCCNC(=O)C1(NCc2ccc(C)cc2O)CC1	877586639	MKLCCQOHJUAEJL-UHFFFAOYSA-N	278.352	1.085	10	20	CDCD	
COCC1(S(=O)(=O)Nc2ccc(O)cc2F)CC1	882712755	KQBVZXQLUYNURM-UHFFFAOYSA-N	275.301	1.452	10	20	CDCD	
CN(C)c1ccc(CN[C@H](CO)C[C@H]2CCCO2)cc1F	886226678	PTHRUVOBFCZGRD-UONOGXRCSA-N	296.386	1.911	10	20	CDCD	
C[C@@H](NC[C@H]1CCS(=O)(=O)C1)c1c(O)cccc1F	886496866	KCIXCXYQHBYXNL-NXEZZACHSA-N	287.356	1.617	10	20	CDCD	
CCOc1ccc(CN[C@H](COC)C(=O)OC)c(O)c1	789576136	NXRIETHFDNLQEZ-GFCCVEGCSA-N	283.324	1.069	10	20	CDCD	
COc1cc(C)cc(CN2C[C@@H](CO)O[C@H](C)C2)c1O	894539064	WZZMQDOWAVJWKE-YPMHNXCESA-N	281.352	1.291	10	20	CDCD	
COc1ccc(CN(C)C[C@H]2CCOC2)c(O)c1OC	892178755	CZHWKWXCLBNONX-LLVKDONJSA-N	281.352	1.878	10	20	CDCD	
CO[C@H]1CN(Cc2ccc(N(C)C)c(F)c2)CCO1	895968526	PGATVYVIMVLTQX-CQSZACIVSA-N	268.332	1.696	10	20	CDCD	
COc1ccc(CNC(=O)[C@@H]2CO[C@@H](C)C2)c(O)c1	794373441	JRLCGSSASMGRBN-ONGXEEELSA-N	265.309	1.442	10	20	CDCD	
CCNC(=O)N1CCN(c2ccc(OCC)cc2)CC1	1202547093	PYVKSULNLAODNZ-UHFFFAOYSA-N	277.368	1.937	10	20	CDCD	
C[C@H]1CN(C)C(=O)CN1Cc1ccc(N2CCCC2)cc1	1204328881	RMULTFGQWMJURN-AWEZNQCLSA-N	287.407	1.949	10	20	CDCD	
CCc1cccc(CNCC[C@@H](O)COC)c1O	691493760	KVNGSNZFWOVADF-CYBMUJFWSA-N	253.342	1.442	10	20	CDCD	
CCN(CC)S(=O)(=O)NCc1ccc(OC)cc1O	795358828	WOVHABCKTKPOQH-UHFFFAOYSA-N	288.369	1.077	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)NOCC(F)F)c1	793172484	KKXYAVNSQSNWKY-ZETCQYMHSA-N	290.266	1.958	10	20	CDCD	
Cc1cc(C(=O)NCCc2ccc(O)c(O)c2)ccn1	789996804	TYVWOFWTVOAJEB-UHFFFAOYSA-N	272.304	1.774	10	20	CDCD	
COc1ccc(CNCc2nnc(C)n2C)c(O)c1OC	1333707350	PFNTUSVHUBRANU-UHFFFAOYSA-N	292.339	1.136	10	20	CDCD	
Nc1ccc(CNC(=O)N[C@@H]2CCN3CCC[C@H]3C2)cc1	1336225977	UWTPEXNLEGZIIE-CABCVRRESA-N	288.395	1.695	10	20	CDCD	
COC[C@@H]1CN(C(=O)NCc2ccc(N)cc2)C[C@@H](C)O1	1346739059	MHBMIJSAQWROJX-RISCZKNCSA-N	293.367	1.214	10	20	CDCD	
CCN(CC)c1ccc(CN2C[C@@H](O)C[C@@H]2C(=O)O)cc1	1605434886	HRFCWXXMEUOHFZ-LSDHHAIUSA-N	292.379	1.553	10	20	CDCD	
COc1cc(O)c(CN(C)CCn2cccn2)cc1OC	160176831	SMRCYTKNLBRRRY-UHFFFAOYSA-N	291.351	1.738	10	20	CDCD	
CN1CCCc2cc(CNC(=O)C3(N)CC3)ccc21	166473306	ZVGLOAKABASVNI-UHFFFAOYSA-N	259.353	1.177	10	20	CDCD	
C[C@@]1(C(=O)NCCc2ccc(N)cc2)CCCOC1	818545083	FVLPOGJWCWVWTL-OAHLLOKOSA-N	262.353	1.744	10	20	CDCD	
Nc1ccc(OCc2cn(C[C@@H]3CCOC3)nn2)cc1	864626731	BCQIMPDXIZBOKQ-NSHDSACASA-N	274.324	1.476	10	20	CDCD	
Cc1cccc(O)c1CNC[C@@]1(O)CCO[C@@H]1C	877489940	RCOSPYBTVVEHNL-RISCZKNCSA-N	251.326	1.330	10	20	CDCD	
CC1(C)[C@@H](NCc2cc3c(cc2O)OCO3)C[C@H]1O	128124840	VZKSFRIDITXTGP-QWHCGFSZSA-N	265.309	1.370	10	20	CDCD	
C[C@H](CN1CCOCC1)NCc1ccc(N(C)C)cc1	36932695	MTLIBRGVRGRDLN-CQSZACIVSA-N	277.412	1.563	10	20	CDCD	
Oc1ccc(F)cc1CN1CC[C@H]2NCC[C@H]2C1	386482254	INJSJFVKZOEIPW-GXFFZTMASA-N	250.317	1.715	10	20	CDCD	
CC(C)(CS(C)(=O)=O)NCc1cccc(Cl)c1O	391400473	QUZUYOYREQOTEC-UHFFFAOYSA-N	291.800	1.958	10	20	CDCD	
Cn1cc(/C=C\C(=O)N(CC(=O)O)c2ccccc2)cn1	215324194	CKMVRFRUTULWIU-FPLPWBNLSA-N	285.303	1.551	10	20	CDCD	
COc1ccc(CNC(=O)CN=[N+]=[N-])cc1OC	229005077	GHOCTMZDJUHRTQ-UHFFFAOYSA-N	250.258	1.630	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)c1n[nH]c2ccccc12	182544606	WTSJWZLBVSCOKL-UHFFFAOYSA-N	283.287	1.904	10	20	CDCD	
CCCCNC(=O)NC(=O)CSc1nccs1	48874959	HLCXEGSBDRLTKC-UHFFFAOYSA-N	273.383	1.861	10	20	CDCD	
COc1ccc(N(C)CCN2C(=O)CCC2=O)cc1Cl	131451304	NHXUVZMJBNPASM-UHFFFAOYSA-N	296.754	1.934	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccnn1C	194004554	SENXKPGKWQKVQA-SECBINFHSA-N	290.323	1.584	10	20	CDCD	
C[C@@H](NCc1ccc2c(c1)CCO2)c1nnnn1C1CC1	190546768	PAJMQQPGKHRYRJ-SNVBAGLBSA-N	285.351	1.794	10	20	CDCD	
O=C(c1cccc(O)c1O)N1C[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1	295551697	ZXYJQQQQFFRXEA-XRRVDJEJSA-N	271.316	1.992	10	20	CDCD	
COc1cccc(CN2CCOC[C@H]2c2ncon2)c1O	360025807	ZZJFBQCUWCHXDR-NSHDSACASA-N	291.307	1.357	10	20	CDCD	
COCCN(CC1OCCO1)c1ccc(OC)c(OC)c1	272030355	DJIZKBOAUKFPQA-UHFFFAOYSA-N	297.351	1.530	10	20	CDCD	
C[C@@H](N[C@H](C)c1cc(F)ccc1O)C(=O)NCCF	282437423	DOZMPDXZSPDZCP-RKDXNWHRSA-N	272.295	1.656	10	20	CDCD	
CC(=O)C(=O)COC(=O)c1ccc(N2CCCC2=O)cc1	808489452	QUPDCXDQWODZSL-UHFFFAOYSA-N	289.287	1.128	10	20	CDCD	
C[C@@H](NC1CNC1)c1cc(Br)cc(F)c1O	817956387	XVXHOKSFNVTYES-ZCFIWIBFSA-N	289.148	1.916	10	20	CDCD	
Cc1cc(C)c(O)c(CN2CCO[C@@H](C(=O)O)C2)c1	820968080	KJANJQQYAFBTDO-GFCCVEGCSA-N	265.309	1.294	10	20	CDCD	
C[C@@H](NC(=O)[C@@H]1CCCNC1=O)c1ccccc1O	827952047	DWYIRVSHCWVBEQ-MWLCHTKSSA-N	262.309	1.096	10	20	CDCD	
COc1cccc(O)c1CN1CC[C@H]2NC(=O)CC[C@@H]2C1	827141807	YCSDTELEKDGMIF-DGCLKSJQSA-N	290.363	1.501	10	20	CDCD	
C[C@H](CC(=O)O)C(=O)NCc1ccc2c(c1)CCCN2C	827295613	MFFUOBITSUESJB-LLVKDONJSA-N	290.363	1.796	10	20	CDCD	
COC[C@H](C)CNC(=O)/C=C\c1ccc(O)c(O)c1	588406174	SABUTLQHJXCBQO-AYYIZTPMSA-N	265.309	1.510	10	20	CDCD	
C[C@H](C(=O)O)[C@@H](C)NCc1ccc(N2CCOCC2)cc1	901444923	KGCUUXKOJYQONT-QWHCGFSZSA-N	292.379	1.722	10	20	CDCD	
CC[C@@H](OC)C(=O)NCc1cc(OC)ccc1O	734017506	KQQHNIBHNSVSBF-GFCCVEGCSA-N	253.298	1.442	10	20	CDCD	
CN(C)c1ccc(CNC(=O)C2(C(N)=O)CCC2)cc1F	747908925	RPMBESVYEXAGIE-UHFFFAOYSA-N	293.342	1.164	10	20	CDCD	
CC[C@H](CO)N(C)C(=O)NCCc1ccc(N)cc1	841955756	METSBAUXKDQTBE-CYBMUJFWSA-N	265.357	1.224	10	20	CDCD	
CN(CCCN)C(=O)NCc1ccc(N2CC=CC2)cc1	841832761	SGUPROTVIHQCMO-UHFFFAOYSA-N	288.395	1.553	10	20	CDCD	
CCONC(=O)CNCc1ccc(N(C)C)c(F)c1	846086936	BNECWGMLWRYNIQ-UHFFFAOYSA-N	269.320	1.049	10	20	CDCD	
COc1cc(O)c(CN[C@@H](C)CCN)cc1OC	841052678	VTVJNMKWTRDRJF-VIFPVBQESA-N	254.330	1.236	10	20	CDCD	
CCN1CC[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1=O	849744647	DXFUOLQBJYPXJD-DIECRNLCSA-N	291.303	1.275	10	20	CDCD	
COc1cccc([C@H](C)NCC(F)(F)CO)c1O	846165139	SSKHFYQKADAIQQ-QMMMGPOBSA-N	261.268	1.679	10	20	CDCD	
O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1[C@H]2CNC[C@H]21	843489493	FLFLCWRGFNATTE-FOLVSLTJSA-N	286.375	1.353	10	20	CDCD	
C[C@H](CN)N(C)C(=O)NCc1ccc(N(C)C)c(F)c1	841758496	BREHDDWGMLJWDX-SNVBAGLBSA-N	282.363	1.380	10	20	CDCD	
COc1cccc([C@H](C)N[C@H]2CC(=O)N(C)C2)c1O	846147758	VTVKUICZBRQFBF-UWVGGRQHSA-N	264.325	1.282	10	20	CDCD	
COc1cc(O)c(CN2CCO[C@@H](CF)C2)cc1OC	840172479	RASRXEOXDRAYRZ-NSHDSACASA-N	285.315	1.580	10	20	CDCD	
COc1ccsc1S(=O)(=O)NCc1ccccc1O	751149060	LHBVSKXXHSWHEF-UHFFFAOYSA-N	299.373	1.941	10	20	CDCD	
C[C@H]1[C@H](N(C)C)CCN1C(=O)c1cc(O)cs1	854649844	HKWSWQCSWKZNKN-WCBMZHEXSA-N	254.355	1.618	10	20	CDCD	
CCOC(=O)CCCOC(=O)/C=C/c1ccc(O)c(O)c1	759593536	CNEBHJMSPCGARM-SOFGYWHQSA-N	294.303	1.998	10	20	CDCD	
CC[C@@H](NCc1cc(OC)ccc1O)C(=O)NC	697858393	MIWBUCJWXUAPNU-LLVKDONJSA-N	252.314	1.015	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)c1cnc2ccccn12	764848013	BKWVDMYIWKIPJM-UHFFFAOYSA-N	297.314	1.718	10	20	CDCD	
CNC(=O)C(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C	863509622	WXFBNHXLLAGTCG-UHFFFAOYSA-N	299.374	1.765	10	20	CDCD	
CCN(CC)C(=O)CCC(=O)NCc1cc(C)ccc1O	862757963	KDVDHCXOLWGADZ-UHFFFAOYSA-N	292.379	1.965	10	20	CDCD	
C[C@@H](NC(=O)NCCCn1cncn1)c1ccccc1O	868088263	XNHJDLCSIRPCQS-LLVKDONJSA-N	289.339	1.434	10	20	CDCD	
C[C@H](N[C@@H]1COC[C@@H]1O)c1cc2c(cc1O)CCCC2	866420004	LQTDIGAFYZLPFZ-JJMVLAAESA-N	277.364	1.681	10	20	CDCD	
C[C@H](NC(=O)NC1(C)COC1)c1ccc(N(C)C)cc1	875507875	MGNOBFVTMUQUSN-NSHDSACASA-N	277.368	1.902	10	20	CDCD	
COc1cc(O)c(CN[C@H]2CCC[C@@H]2O)cc1OC	877701066	JCXUNMUVEHXLPN-QWRGUYRKSA-N	267.325	1.412	10	20	CDCD	
C[C@]1(CNC(=O)/C=C/c2ccc(O)c(O)c2)CCOC1	779519860	FJOFRQIKNAVTBY-SJDLMVEWSA-N	277.320	1.654	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1ccn(C)n1	773751337	PFCMNKJLOFZKMI-JTQLQIEISA-N	289.335	1.121	10	20	CDCD	
COCCN(C)C(=N)NCc1ccc(N(C)C)cc1	871603010	BAEFBMJSFMPQPV-UHFFFAOYSA-N	264.373	1.355	10	20	CDCD	
COc1cc(O)c(CN[C@@H](CO)CC2CC2)cc1OC	776251801	BDRSKQFIRIIQLK-GFCCVEGCSA-N	281.352	1.660	10	20	CDCD	
NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)c1cc(O)cs1	788014857	ZJCSPEUSVBCIML-NMLBEHRDSA-N	280.349	1.180	10	20	CDCD	
Cc1ccc(C(=O)NCC(C)(C)CO)c(O)c1O	780985429	DOVJDJLXKPCFBB-UHFFFAOYSA-N	253.298	1.155	10	20	CDCD	
C[C@@H](NC(=O)N1CC[C@@H]1CO)c1ccc(N(C)C)cc1	894287540	VNSWFNCGALPLGQ-BXUZGUMPSA-N	277.368	1.590	10	20	CDCD	
C[C@@H](C[C@@H](C)O)NC(=O)NCc1ccc(N(C)C)c(F)c1	783201696	XIDXZUCEQDOADZ-WDEREUQCSA-N	297.374	1.850	10	20	CDCD	
COc1ccc(CNC(=O)Cc2ccncc2)c(O)c1	794379876	YORNGTUCINBYMP-UHFFFAOYSA-N	272.304	1.655	10	20	CDCD	
CS[C@H](C)CNC(=O)c1c(F)ccc(O)c1O	790075228	JOEMECBGGOWPCZ-ZCFIWIBFSA-N	259.302	1.718	10	20	CDCD	
C[C@H](O)C[C@@H](C)CNC(=O)c1cccc(O)c1O	187156576	BQZZUFFZUXAHOL-BDAKNGLRSA-N	253.298	1.235	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2ncccc2O)cc1	194646338	VCLXPQLQBXTLSL-UHFFFAOYSA-N	271.320	1.783	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NCC2(N)CC2)cc1	1338733087	YCFAULVQYUZFCK-UHFFFAOYSA-N	262.357	1.043	10	20	CDCD	
C[C@@H]1C[C@H](NC(=O)NCc2ccc(N)cc2)CN1C1CC1	1336844390	GMMVKARBXUKRGN-RISCZKNCSA-N	288.395	1.693	10	20	CDCD	
CC[C@@H]1CN(C)CCN1C(=O)NCc1ccc(N)cc1	1353539939	QZWWAPMRJAQVNN-CQSZACIVSA-N	276.384	1.504	10	20	CDCD	
O=C(COC1CNC1)NCc1c(O)ccc2ccccc12	1580560657	YAYXCFLAMPSPTK-UHFFFAOYSA-N	286.331	1.150	10	20	CDCD	
COC[C@@H](O)CCNCc1ccc(N2CCCC2)cc1	231606075	SWUFUXHQFILYSG-INIZCTEOSA-N	278.396	1.774	10	20	CDCD	
CCCN(C(=O)c1cc(O)cs1)[C@H](C)C(=O)O	1595824710	SLODKFFFTGQKOH-SSDOTTSWSA-N	257.311	1.779	10	20	CDCD	
O=C1NCCC[C@@H]1CN[C@@H]1CCc2cccc(O)c21	840826815	WJMULGDGIFOMGZ-VXGBXAGGSA-N	260.337	1.495	10	20	CDCD	
CN(CCC(=O)N1CCCC1)Cc1ccccc1O	838896750	ZHABXNPJRUCUCP-UHFFFAOYSA-N	262.353	1.837	10	20	CDCD	
Cc1cccc(O)c1CN1CC[C@@H](C(=O)N(C)C)C1	877587746	HMZBKSPOSKAZRM-GFCCVEGCSA-N	262.353	1.611	10	20	CDCD	
Oc1c(F)cc(F)cc1CN[C@H]1CCn2ccnc2C1	883093210	NMDOOBXPJUSHLJ-NSHDSACASA-N	279.290	1.972	10	20	CDCD	
COc1ccc(O)c([C@H](C)N[C@@H](C)C(=O)NC2CC2)c1	135727166	LLBYJTYLUMPRMZ-UWVGGRQHSA-N	278.352	1.719	10	20	CDCD	
CCOCCNCc1ccc(N2CCOCC2)cc1	36228406	NPLXTCWUQAQUHM-UHFFFAOYSA-N	264.369	1.649	10	20	CDCD	
C[C@H]1CN(Cc2cc3c(cc2O)OCO3)[C@H](C)CO1	43751530	UHMUUJWNHPGDQI-ZJUUUORDSA-N	265.309	1.730	10	20	CDCD	
CCN(CC)C[C@@H](C)NCc1cc2c(cc1O)OCO2	45693719	CITCVYFLXZUNBD-LLVKDONJSA-N	280.368	1.941	10	20	CDCD	
Cc1ccc(O)c([C@H](C)NCCN2CCC(O)CC2)c1	295817063	BMUJCUNKMLWUCQ-ZDUSSCGKSA-N	278.396	1.808	10	20	CDCD	
COCC[C@](C)(O)CN[C@@H](C)c1cc(OC)ccc1O	185467252	KUIUMFHEWBPUMN-NHYWBVRUSA-N	283.368	1.839	10	20	CDCD	
CCC[C@@H]1CN(C(=O)c2cccc(O)c2O)CCO1	189541186	VMLIODNNSFAJJC-SNVBAGLBSA-N	265.309	1.739	10	20	CDCD	
CCc1cccc(CN[C@H]2CCN(S(C)(=O)=O)C2)c1O	709404009	ADRHSURPTSIUIO-ZDUSSCGKSA-N	298.408	1.078	10	20	CDCD	
CC1(C)CN(C(=O)Cc2ccc(N)cc2)[C@@H]2COC[C@@H]21	384575194	QWVFVBTURNRNPX-UONOGXRCSA-N	274.364	1.695	10	20	CDCD	
NC(=O)c1ccc(NCc2ccc(N3CCCC3)cc2)nn1	172711411	JTVGLVLWPRKNSW-UHFFFAOYSA-N	297.362	1.788	10	20	CDCD	
C[C@@H](CO)SCC(=O)NCc1ccc(N(C)C)cc1	172981587	XWGDFHVMQOUTOG-NSHDSACASA-N	282.409	1.483	10	20	CDCD	
CCN(C)C[C@@H]1CCN(C(=O)c2ccc(C)c(O)c2O)C1	179526200	FJIJGIQNQDZEAB-LBPRGKRZSA-N	292.379	1.820	10	20	CDCD	
CCCN(CCO)C(=O)NCc1ccc(N(C)C)cc1	31730467	OISFKVHCKGVSMK-UHFFFAOYSA-N	279.384	1.667	10	20	CDCD	
C[C@@H](NCCS(C)(=O)=O)c1ccc(F)c(F)c1O	187677117	UWHCHRRWGHOPIH-SSDOTTSWSA-N	279.308	1.366	10	20	CDCD	
C[C@@H](NCCC(=O)N1CCN(C)CC1)c1ccccc1O	183490857	COGIFMUKGFIWFR-CYBMUJFWSA-N	291.395	1.207	10	20	CDCD	
COC[C@@H](O)CCNCc1c(O)cccc1Cl	153756381	ALBNWSVUAOMLLE-VIFPVBQESA-N	259.733	1.533	10	20	CDCD	
C[C@@H]1C(=O)NCCN1Cc1ccc(N2CCCCC2)cc1	123404801	SLPVQIUAOZYSIJ-CQSZACIVSA-N	287.407	1.997	10	20	CDCD	
CCCN(CC(=O)NC(=O)NCC)Cc1ccccc1O	130718982	GRVFAXGCCQSILW-UHFFFAOYSA-N	293.367	1.450	10	20	CDCD	
COc1cc(Cl)cc(CNCCCCO)c1O	193274685	HWBQVHSJQICPHU-UHFFFAOYSA-N	259.733	1.916	10	20	CDCD	
CCn1ccnc(NCc2cc(OC)ccc2O)c1=O	91011567	OXPNNNCJKKPHSB-UHFFFAOYSA-N	275.308	1.590	10	20	CDCD	
COc1cccc(CN2CCC[C@@H](CC(N)=O)C2)c1O	93809038	OEJSVRAEYUELGE-NSHDSACASA-N	278.352	1.488	10	20	CDCD	
Oc1ccc(Cl)cc1CNC[C@@H]1COCCN1	530181036	JEFXMYJYIMAFML-LLVKDONJSA-N	256.733	1.124	10	20	CDCD	
C[C@@H](O)CCCNCc1cc([N+](=O)[O-])ccc1O	278748166	WAAGMFSBHVUYEW-SECBINFHSA-N	254.286	1.551	10	20	CDCD	
CCc1cc(O)ccc1NS(=O)(=O)C[C@H](C)OC	282250651	RGBUCGXJMUYTDI-VIFPVBQESA-N	273.354	1.731	10	20	CDCD	
Cc1noc(C(C)(C)NCc2cc3c(cc2O)OCO3)n1	283812754	BTEJYCAOIYDUHR-UHFFFAOYSA-N	291.307	1.837	10	20	CDCD	
Cc1cc(CN(C)[C@@H]2CCN(C)C2=O)ccc1N(C)C	293034031	JDKDNTABQLZRDG-OAHLLOKOSA-N	275.396	1.724	10	20	CDCD	
Cn1cnc(C(=O)NCc2ccc(N3CCCCC3)cc2)n1	810245892	IROIIYLHIHGOGF-UHFFFAOYSA-N	299.378	1.735	10	20	CDCD	
Cc1cc(Cl)cc([C@H](C)NC[C@H]2CNCCO2)c1O	817983001	JKZUBDMPVPUDCP-CMPLNLGQSA-N	284.787	1.993	10	20	CDCD	
CC(=O)N[C@H]1CCN(Cc2c(O)ccc3ccncc23)C1	817367266	GFJLZGFRBKNHLZ-ZDUSSCGKSA-N	285.347	1.651	10	20	CDCD	
CN(C)c1ccc([C@H](N)CN[C@@H]2CCCC[C@@H]2CN)cc1	817939795	CDCYIEKGSPRWFD-DJIMGWMZSA-N	290.455	1.860	10	20	CDCD	
CCN(CC)C(=O)[C@@H](C)OC(=O)c1ccc(C)c(O)c1O	727004023	KVAVIXQCRGKRPF-SNVBAGLBSA-N	295.335	1.820	10	20	CDCD	
CC(C)OC(=O)[C@H](C)NCc1cc(F)ccc1O	825118188	QGBHZTLWUGKDJF-VIFPVBQESA-N	255.289	1.961	10	20	CDCD	
OC[C@]12C[C@H]1CN(Cc1ccc(Br)cc1O)C2	825628965	OETXADPOSCURSY-GXFFZTMASA-N	298.180	1.969	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCNC1=O	824240171	FTIKZAQZXOQCNP-AWEZNQCLSA-N	289.379	1.237	10	20	CDCD	
C[C@H]1CCCN(C(=O)C(=O)N[C@H](C)c2ccccc2O)C1	827940637	GLZGYUGFRPVMJH-NWDGAFQWSA-N	290.363	1.828	10	20	CDCD	
CCOc1ccc(CNC[C@H](C)N(C)C)c(O)c1	824987845	CGNPVEASILWXRV-NSHDSACASA-N	252.358	1.831	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)C(C)(C)N)c1	828666828	JJJCEZUKOUWULN-QMMMGPOBSA-N	252.314	1.315	10	20	CDCD	
O=C(NCc1ccccc1O)N[C@H]1CCN(C2CC2)C1	734271673	DOULMVNMCAQPST-LBPRGKRZSA-N	275.352	1.428	10	20	CDCD	
COc1cccc(CNC(=O)[C@@H]2CCCCN2C)c1O	732284102	HWVQVIAOMCZGCZ-LBPRGKRZSA-N	278.352	1.501	10	20	CDCD	
NC(=O)[C@@H]1C[C@@H]1C(=O)NCc1c(O)ccc2c1CCCC2	901132686	VKMDWMZSPLVOAP-NEPJUHHUSA-N	288.347	1.009	10	20	CDCD	
C[C@]1(CNCc2cc(F)ccc2O)CCC(=O)N1	835061725	VKWDMXGUOXSUFB-CYBMUJFWSA-N	252.289	1.290	10	20	CDCD	
CN1C[C@H]2CC[C@H]1[C@H](CNC(=O)c1cc(O)cs1)C2	909747568	ZLGOZXDPHBOSSP-NHCYSSNCSA-N	280.393	1.914	10	20	CDCD	
COc1ccc(N2CC[C@H](CNC3=NC[C@H](C)N3)C2)cc1	849043368	ANRCTXHGFJLBPT-QWHCGFSZSA-N	288.395	1.459	10	20	CDCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NCc1cn(C)nn1	840976145	MJHAJHGSKDXIGR-ZDUSSCGKSA-N	287.411	1.910	10	20	CDCD	
COC(=O)c1cnc(SC[C@@H]2CCC(=O)N2)s1	845316774	JTBGQRNCZKRGQB-LURJTMIESA-N	272.351	1.300	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](CN)C1CC1	841947071	MTJYOSYSJHBZEY-OAHLLOKOSA-N	290.411	1.631	10	20	CDCD	
CC[C@@H](C(=O)NCc1ccc(OC)cc1O)[C@@H](C)O	842257019	HEAQFVMRFUMVQW-BXKDBHETSA-N	267.325	1.424	10	20	CDCD	
CCNC(=O)[C@@H](C)NCc1ccc(N(C)C)cc1C	840936981	PNELAJCVQFJGON-GFCCVEGCSA-N	263.385	1.675	10	20	CDCD	
CNCCCNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1	841883921	XBJAOXAERLBZPN-LBPRGKRZSA-N	278.400	1.722	10	20	CDCD	
C[C@@H]1C[C@H](NCc2ccc(N3CCOCC3)cc2)CCN1	841061242	HGYDSMZFORNRAC-GDBMZVCRSA-N	289.423	1.753	10	20	CDCD	
CC(C)[C@H](NC(=O)NCCc1ccc(N)cc1)C(C)(C)O	841957758	DBIXEHBWQJZEDG-AWEZNQCLSA-N	293.411	1.906	10	20	CDCD	
CCn1ccnc1[C@H](C)NC(=O)Cc1ccc(N)cc1	852913471	VVPGGTNMWBUFDD-NSHDSACASA-N	272.352	1.905	10	20	CDCD	
CCCN1CC[C@H](NC(=O)c2cc(O)cs2)C1	856073374	OIBNBQIDUKOTRI-VIFPVBQESA-N	254.355	1.668	10	20	CDCD	
C[C@H](Nc1cnn(CCO)c1)c1cc(F)ccc1O	756853932	AUDQMTIPBOEVTP-VIFPVBQESA-N	265.288	1.893	10	20	CDCD	
CC1(C)CCCN(CCNC(=O)c2cccc(O)c2O)C1	769706662	CHYCWYNUNKDFRO-UHFFFAOYSA-N	292.379	1.950	10	20	CDCD	
COC(=O)C[C@]1(NCc2ccccc2O)CCOC1	766467205	GJDNMDHAONTLLF-CQSZACIVSA-N	265.309	1.204	10	20	CDCD	
Nc1ccc(NC(=O)/C=C\CN2CCOCC2)cc1	876504392	MXBAIKVZGZAKQY-UPHRSURJSA-N	261.325	1.096	10	20	CDCD	
CCNS(=O)(=O)[C@@H]1CCN(Cc2ccc(C)cc2O)C1	877178009	YUDJRRYDLOLECH-CYBMUJFWSA-N	298.408	1.214	10	20	CDCD	
Nc1ccc(CC(=O)NC[C@@H]2CCCN2CC(F)F)cc1	877006032	PQFYZELBVNSUQI-ZDUSSCGKSA-N	297.349	1.657	10	20	CDCD	
COc1cccc(CN[C@@H](C)C[C@H]2CCCC(=O)N2)c1O	877525926	MXZFAMNCCOFFTG-WCQYABFASA-N	292.379	1.938	10	20	CDCD	
Cc1cc(NS(=O)(=O)c2ccn(C)n2)ccc1O	776748741	ZBBYGAOSJZBPFU-UHFFFAOYSA-N	267.310	1.235	10	20	CDCD	
C[C@H](NC(=O)N[C@@H](CO)C1CC1)c1ccc(N(C)C)cc1	773621622	CVBKSMCZTVWXAU-NHYWBVRUSA-N	291.395	1.884	10	20	CDCD	
C[C@H]1CCN(S(=O)(=O)NCc2ccc(N(C)C)cc2)C1	777956274	IURWEXXTMPGFLG-LBPRGKRZSA-N	297.424	1.429	10	20	CDCD	
O=C(NCc1cccc(O)c1O)C1(n2cccn2)CC1	1123887368	BBDGCEJOFFZVIS-UHFFFAOYSA-N	273.292	1.100	10	20	CDCD	
CN(C)c1ccc(Cn2cc(CC3(O)CCC3)nn2)cc1	881272108	MUQRNMOZMAKRFP-UHFFFAOYSA-N	286.379	1.850	10	20	CDCD	
COc1cc(Cl)cc(CN2CC(=O)N(C)C[C@H]2C)c1O	783731294	ZGPZRYASVBLCGD-SECBINFHSA-N	298.770	1.717	10	20	CDCD	
C[C@@H](NC(=O)N[C@H]1CC[C@H](CN)C1)c1ccccc1O	892170195	PYBNWPXADWDQIH-WOPDTQHZSA-N	277.368	1.880	10	20	CDCD	
CCCS(=O)(=O)NCc1ccc(OC)cc1O	795356390	BWOBUOTUXWXJHD-UHFFFAOYSA-N	259.327	1.230	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)C1CCC(O)CC1	792238605	SJNKSSHUKMLXSE-UHFFFAOYSA-N	265.309	1.265	10	20	CDCD	
Cc1nc([C@H](C)NCc2cc(F)cc(F)c2O)n[nH]1	708389587	MHWPQYWUPBVIAU-LURJTMIESA-N	268.267	1.948	10	20	CDCD	
COc1ccc(CNC(=O)CC[C@H]2CCOC2)c(O)c1	794387187	GMDWYRLWUJPXNF-NSHDSACASA-N	279.336	1.834	10	20	CDCD	
C[C@H](N)[C@@H]1CCN(C(=O)NCc2ccc(N)cc2)C1	1338793756	UVOUVBWIVOCEDP-CMPLNLGQSA-N	262.357	1.148	10	20	CDCD	
CCC(O)(CC)CNC(=O)NCc1ccc(N)cc1	1337018300	JKKUXEJRSDACAE-UHFFFAOYSA-N	265.357	1.619	10	20	CDCD	
COC(C)(C)CNC(=O)NCc1ccc(N)cc1	1336975193	JCMYNBGMGIZNNS-UHFFFAOYSA-N	251.330	1.493	10	20	CDCD	
COC[C@H]1CCCN1C(=O)NCc1ccc(N)cc1	1337017974	GDBXQRZIRHUASN-CYBMUJFWSA-N	263.341	1.589	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)c1cnn2c1NCCC2	1347045241	YUTGDOKNOVQXGR-UHFFFAOYSA-N	288.307	1.040	10	20	CDCD	
O=C(NCc1cccc(O)c1O)[C@H]1CCc2ncncc2C1	1352668644	CLHAAHYMWSVVAT-JTQLQIEISA-N	299.330	1.309	10	20	CDCD	
O=C(O)[C@H](CC(F)(F)F)NCc1ccccc1O	1601640063	HPOWRCYRXKXHMP-QMMMGPOBSA-N	263.215	1.887	10	20	CDCD	
CN(C[C@@]1(C)CCCNC1)c1ccc(OCC(=O)O)cc1	1606107585	JHMBWONGVREKLT-INIZCTEOSA-N	292.379	1.976	10	20	CDCD	
Cn1nc(C(=O)O)cc1CNCc1cc(Cl)ccc1O	1605544682	AIUBBEIMEDMURR-UHFFFAOYSA-N	295.726	1.767	10	20	CDCD	
O=C(NCc1ccccc1O)c1cccc(-c2nn[nH]n2)c1	1593145270	IMKCLMZVMXEURD-UHFFFAOYSA-N	295.302	1.502	10	20	CDCD	
Cc1n[nH]cc1CN[C@H](C)c1cccc(-c2nn[nH]n2)c1O	1592331780	VAAWFSUJPHUREG-SECBINFHSA-N	299.338	1.455	10	20	CDCD	
Oc1cccc(F)c1CN=c1cc[nH]c(-c2nn[nH]n2)c1	1593540707	ZQLMRPVNOYIIJB-UHFFFAOYSA-N	286.270	1.140	10	20	CDCD	
COc1ccc(O)c(CNc2nc(C(=O)O)co2)c1	1777367681	JVWJNHUAMMKGIK-UHFFFAOYSA-N	264.237	1.699	10	20	CDCD	
C[C@@H]1CCCN(C(=O)c2cccc(O)c2O)[C@@H]1C(=O)O	235407579	FCBFGYZZCZTYQX-KCJUWKMLSA-N	279.292	1.423	10	20	CDCD	
Cc1ccc(CN(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)c(O)c1	876739342	OWBNBNPPAVWTLB-NWDGAFQWSA-N	285.409	1.954	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CCOCC2)c1O	37322542	AVJRAXHNBCYWAP-UHFFFAOYSA-N	253.273	1.566	10	20	CDCD	
O=C(N[C@@H](CO)C1CCCC1)c1cccc(O)c1O	291364306	VQHVUJKFPQCGLX-NSHDSACASA-N	265.309	1.379	10	20	CDCD	
CCOCC(=O)NCCCSc1nccs1	114181155	PMUJFLLWOMBGMF-UHFFFAOYSA-N	260.384	1.778	10	20	CDCD	
COCC[C@H](C)NC(=O)c1ccc(C)c(O)c1O	179468980	LRGAAXQAQYBLCL-VIFPVBQESA-N	253.298	1.561	10	20	CDCD	
C[C@@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)CCO1	180614423	RRPZKLWWUQSBTR-RXNUUUNCSA-N	263.293	1.358	10	20	CDCD	
Cc1cc(C(=O)N2CCNC[C@H]2C)c(C)n1-c1ccccn1	125153671	LZCBGAQTEBDTSR-CYBMUJFWSA-N	298.390	1.923	10	20	CDCD	
CCOC[C@@H]1CCN(C(=O)c2ccc(C)c(O)c2O)C1	182553578	HYQCUYQTNNTUHG-LLVKDONJSA-N	279.336	1.905	10	20	CDCD	
CN(C)c1ccc(CN[C@@H]2[C@@H]3C[C@@H]4[C@@H]2NC[C@@H]4C3)cc1	381306119	OITSLYAJKJYMNF-AYIQCDPPSA-N	271.408	1.839	10	20	CDCD	
CCN(CCC(=O)O)Cc1cc(OC)ccc1O	86754628	VJJISMHSHULEEO-UHFFFAOYSA-N	253.298	1.697	10	20	CDCD	
C[C@H](Sc1nncn1C)C(=O)NCc1ccccc1O	269129056	GUAIUBQEQLMPAU-VIFPVBQESA-N	292.364	1.318	10	20	CDCD	
CN(C)C/C=C/C(=O)NCc1ccc2c(c1)CCCN2C	265664846	RRICFFSBLBUTNV-FNORWQNLSA-N	287.407	1.803	10	20	CDCD	
COc1cccc(CNc2c([N+](=O)[O-])c(C)nn2C)c1O	265103304	FNTNRYYSMGKEMH-UHFFFAOYSA-N	292.295	1.963	10	20	CDCD	
CN(C)c1ccc(CN2CC[C@@H](n3cncn3)C2)cc1	364513520	UXIMFRXNDMKTBK-OAHLLOKOSA-N	271.368	1.791	10	20	CDCD	
Cc1nc(CCN[C@H](C)c2ccc(F)c(F)c2O)n[nH]1	276935354	OUPXSLPVGJONKE-SSDOTTSWSA-N	282.294	1.990	10	20	CDCD	
Cc1ccc(C(=O)N2CC[C@H](C)[S@](=O)CC2)c(O)c1O	277458632	GIHURRNAGABGGL-WVDJIFEKSA-N	297.376	1.389	10	20	CDCD	
Cn1cc(N2CC[C@H](NCc3cc(F)ccc3O)C2)cn1	371496120	HMHZWCSSWFERBH-ZDUSSCGKSA-N	290.342	1.633	10	20	CDCD	
Cc1ccc(O)c([C@H](C)NC[C@H](CO)[C@H]2CCOC2)c1	280893294	PGKXLPRXMPMOJI-MELADBBJSA-N	279.380	1.996	10	20	CDCD	
CC[C@@H](CN1C(=O)CN(Cc2ccccc2O)C1=O)OC	819169480	KGLKOQFNVAYQJL-LBPRGKRZSA-N	292.335	1.581	10	20	CDCD	
O=C(NCc1ccc(N2CCCC2)cc1)c1cnnc(O)c1	821843822	VMTCODXXUPBEPS-UHFFFAOYSA-N	298.346	1.712	10	20	CDCD	
CO[C@H]1C[C@@H](NC(=O)c2c(F)ccc(O)c2O)C1(C)C	826764002	LUBRKPNTOCWMKE-ZJUUUORDSA-N	283.299	1.780	10	20	CDCD	
COc1ccc(CNC(=O)NOC2CCC2)c(O)c1	836573185	SPKZKBMPJBDCJN-UHFFFAOYSA-N	266.297	1.684	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)C[C@@H]1CC(=O)N1	830141004	LPJFOVSGTWWYQH-LBPRGKRZSA-N	276.336	1.409	10	20	CDCD	
CC[C@@H](NC(=O)c1cc(O)cs1)[C@@H](O)C(C)C	839866921	HDCIAEHBBUZXJT-KOLCDFICSA-N	257.355	1.979	10	20	CDCD	
CCNC(=O)CN(CC)C(=O)c1cc(O)cs1	732266602	GQEVEGUHRYKTQN-UHFFFAOYSA-N	256.327	1.052	10	20	CDCD	
COc1ccc(CNC(=O)CCC(C)(C)[N+](=O)[O-])c(O)c1	831032982	NIFISUDXLNCPRX-UHFFFAOYSA-N	296.323	1.853	10	20	CDCD	
CCC(CC)[C@@H](O)CNC(=O)c1cc(O)cs1	732300815	HTZIITKZEVCASC-JTQLQIEISA-N	257.355	1.981	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1cscn1	831924408	HMCHTMZCISZTEG-SECBINFHSA-N	292.360	1.844	10	20	CDCD	
CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(N)cc2)[C@@H](C)CO1	846320441	BGQAYZLAXCVDPS-GXFFZTMASA-N	291.351	1.233	10	20	CDCD	
NCC1(O)CCN(Cc2c(O)ccc(Cl)c2F)CC1	841107296	FFLYWXWZZZZQKU-UHFFFAOYSA-N	288.750	1.470	10	20	CDCD	
CCCn1nccc1C(=O)NCc1ccc(OC)cc1O	846951665	ZRGVCKQKYLLRBN-UHFFFAOYSA-N	289.335	1.937	10	20	CDCD	
COc1ccc(CNC(=O)N[C@H]2CCN[C@@H](C)C2)c(O)c1	841983617	DWFPIXJIZXZDKW-JQWIXIFHSA-N	293.367	1.341	10	20	CDCD	
CN(C(=O)C(=O)Nc1ccc(N)cc1)C(C1CC1)C1CC1	841026299	WSRAMFCQBXOWQZ-UHFFFAOYSA-N	287.363	1.854	10	20	CDCD	
C[C@@H](NC(=O)[C@@]1(O)CCOC1)c1ccc(N(C)C)cc1	840425115	ILYZMFYYHNBXDE-IAQYHMDHSA-N	278.352	1.081	10	20	CDCD	
CNCCCN(C)Cc1cc(Cl)cc([N+](=O)[O-])c1O	841103254	FHAAPXUZZHZRHP-UHFFFAOYSA-N	287.747	1.995	10	20	CDCD	
Oc1c(F)cc(Cl)cc1CNC[C@H]1CNCCO1	841098896	KBIQDNFFDLSLNF-SNVBAGLBSA-N	274.723	1.263	10	20	CDCD	
C[C@@H]1CN(Cc2cc(C(C)(C)C)cc(O)c2O)CC(=O)N1	840132632	KLTMGXDDPVPBOK-SNVBAGLBSA-N	292.379	1.716	10	20	CDCD	
NCc1ccc2c(c1)CCCN2C[C@]12CNC[C@@H]1C2	853246585	NABKRQMAFFVZFP-HOCLYGCPSA-N	257.381	1.507	10	20	CDCD	
COc1ccc(CNC(=O)NC[C@H](C)OC)c(O)c1	852531075	UZACZNIAQBFQBY-VIFPVBQESA-N	268.313	1.235	10	20	CDCD	
CNC[C@@H](C)NC(=O)NCCCSc1nccs1	851657435	AXNKDGLDHYQEIG-SECBINFHSA-N	288.442	1.532	10	20	CDCD	
Cc1ccc(CNCc2ccnc(N(C)C)n2)c(O)c1	877136259	AIFJVMKNRFMERD-UHFFFAOYSA-N	272.352	1.846	10	20	CDCD	
Cc1ccc(CN2C[C@H](CO)OC[C@H]2C)c(O)c1	876812274	KNFYWYMMECUVLF-DGCLKSJQSA-N	251.326	1.282	10	20	CDCD	
CCN(C)c1ccc(CN2C[C@H](C)O[C@@H](CO)C2)cc1	773888637	LBCIUAMDEFJBCN-XJKSGUPXSA-N	278.396	1.724	10	20	CDCD	
CN(C(=O)CCN1CCOC1=O)c1ccc(N)cc1	877078608	WQVQDEJSJAACIH-UHFFFAOYSA-N	263.297	1.074	10	20	CDCD	
CCO[C@@H]1C[C@@H](NCc2c(C)cccc2O)[C@@H]1OC	877352253	WRKSJOUPNHCOLK-YUELXQCFSA-N	265.353	1.983	10	20	CDCD	
COc1cccc(O)c1CN1CC[C@@H](C)C[C@@H]1C(N)=O	779203713	HRGPNBSFLUZCAL-ZYHUDNBSSA-N	278.352	1.487	10	20	CDCD	
CCOc1ccc(CN[C@@H](CO)C[C@H]2CCCO2)c(O)c1	886229744	VFXURQLOBVLOCI-ZIAGYGMSSA-N	295.379	1.811	10	20	CDCD	
Cc1cc(O)c(CN[C@H]2CS(=O)(=O)C[C@H]2C)cc1C	886294858	ZRKTZCJHDYYKPP-YPMHNXCESA-N	283.393	1.532	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)[C@H]1CCn2ccnc2C1	778929907	OIMRCSQFZJTUJY-NSHDSACASA-N	287.319	1.173	10	20	CDCD	
C[C@@H](NCc1ccc(C(N)=O)nc1)c1ccccc1O	783521437	XZWYSFLDZSYQTR-SNVBAGLBSA-N	271.320	1.737	10	20	CDCD	
COC(=O)CC1(NC(=O)c2cccc(O)c2O)CCC1	897951242	HYTLIGRNTUTPRR-UHFFFAOYSA-N	279.292	1.313	10	20	CDCD	
COCCC1(C(=O)OCC(=O)c2ccc(O)c(O)c2)CC1	784298194	OMYORPUQVUXAGO-UHFFFAOYSA-N	294.303	1.640	10	20	CDCD	
COc1ccc(CNC2CSC2)c(O)c1OC	895434036	RJCKUPSSDWKYQF-UHFFFAOYSA-N	255.339	1.614	10	20	CDCD	
COc1ccc(CNC(=O)[C@@H](C)OCC2CC2)c(O)c1	794382290	UPVZCVIPHNGJCG-SNVBAGLBSA-N	279.336	1.832	10	20	CDCD	
COc1cccc(O)c1CNC[C@](C)(O)C(F)(F)F	760452625	ZLIYDLUUKVYVAJ-NSHDSACASA-N	279.258	1.804	10	20	CDCD	
C[C@@H](NC(=O)[C@@H](N)C(C)(C)C)c1ccccc1O	877255873	JDYDWARBHBYLQA-BXKDBHETSA-N	250.342	1.943	10	20	CDCD	
C[C@H]1CN(C)[C@H](C)CN1C(=O)c1cccc(O)c1O	790912157	YVYHTNQCEAVULC-ZJUUUORDSA-N	264.325	1.262	10	20	CDCD	
Oc1ccccc1CNCc1nc([C@H]2CCCO2)n[nH]1	1329114072	NITFFJJSRYBVAV-GFCCVEGCSA-N	274.324	1.652	10	20	CDCD	
CC(C)CCCNC(=O)C(=O)N(C)Cc1ccccc1O	1321737732	HTXLVCPDXZZUSR-UHFFFAOYSA-N	292.379	1.903	10	20	CDCD	
C[C@H]1CCCN1C(=O)C(=O)NCc1ccc(N(C)C)cc1	1344851913	MAMGASSQYKXJTA-LBPRGKRZSA-N	289.379	1.380	10	20	CDCD	
CCCOc1ccc(CN[C@H](CCO)C(=O)O)cc1C	1350662115	HDWLTUQGONCBDD-CYBMUJFWSA-N	281.352	1.709	10	20	CDCD	
CC(C)c1ncc(C(=O)NCc2cccc(O)c2O)[nH]1	1528771737	WFVIJHXDRHWJNB-UHFFFAOYSA-N	275.308	1.874	10	20	CDCD	
C[C@@H](NC(=O)[C@H]1C[C@@H](N)C1)c1ccc(N(C)C)cc1	1573569274	SXIGGSREJKPENE-RTXFEEFZSA-N	261.369	1.667	10	20	CDCD	
CC1(C)CNCCN1Cc1ccc(F)c(F)c1O	1576482554	ZLBZIBHEFUOGJC-UHFFFAOYSA-N	256.296	1.854	10	20	CDCD	
C[C@@](O)(CNCc1cc(Cl)c(F)cc1O)C(=O)O	1589147528	VADNDUJLYJINKR-LLVKDONJSA-N	277.679	1.110	10	20	CDCD	
C[C@@H]1CN(C(=O)c2cc(O)cs2)C[C@H]1CC(=O)O	1599862661	NUJUDIYKAUPNJL-HTQZYQBOSA-N	269.322	1.637	10	20	CDCD	
CCN(C)c1ccc(CN[C@@H](C(=O)O)[C@H](C)O)c(C)c1	1776856061	BWEGPQQYGGLVIE-SMDDNHRTSA-N	280.368	1.375	10	20	CDCD	
CCNC(=O)[C@@H](C)N[C@@H](C)c1cc(C)ccc1O	36795321	MIRMYGNTVKUYMZ-WDEREUQCSA-N	250.342	1.876	10	20	CDCD	
C[C@]12CCC(=O)N1[C@@H](C(=O)Nc1ccc(N)cc1)CS2	237745007	XNEYNPVZBGWSTD-RISCZKNCSA-N	291.376	1.661	10	20	CDCD	
C[C@H](N[C@@H]1CCCN(C)C1=O)c1ccc(F)cc1O	704356762	NFVIKRPSNXNWOH-JOYOIKCWSA-N	266.316	1.803	10	20	CDCD	
COc1ccc(O)c(CNC[C@@H]2CCCCS2(=O)=O)c1	694602917	DNTYBZHQDODDQM-ZDUSSCGKSA-N	299.392	1.458	10	20	CDCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NC1CC1	26518656	FDOJRJFJVJZUAT-UHFFFAOYSA-N	289.379	1.827	10	20	CDCD	
COc1cccc(CNC(=O)NC2CCOCC2)c1O	174153576	XOYDOSIQHSHYDT-UHFFFAOYSA-N	280.324	1.379	10	20	CDCD	
COCCCN(C)C(=O)/C=C/c1ccc(O)c(O)c1	180711359	UCOLDJYDHGOUHP-FNORWQNLSA-N	265.309	1.606	10	20	CDCD	
Cc1ccc(O)c(CN2CCO[C@H]([C@@H](C)N)C2)c1	132605594	DHMACDULHZNZAU-RISCZKNCSA-N	250.342	1.249	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)CCC(C)=O)c1	192968553	MPNNKTXAKFRASY-JTQLQIEISA-N	265.309	1.947	10	20	CDCD	
O=C(NCc1ccccc1O)c1cnn(C2CC2)c1	528856329	ZZWMRJRRKIOTBF-UHFFFAOYSA-N	257.293	1.854	10	20	CDCD	
Cc1cc(C)c(O)c(CN2CCS(=O)(=O)C[C@H](C)C2)c1	191376604	OTFZPZAVJIWKHE-GFCCVEGCSA-N	297.420	1.876	10	20	CDCD	
Cc1ccc(O)c(CN(C)CCN2CCCC2=O)c1	93320421	CSELDFZAHMKPJW-UHFFFAOYSA-N	262.353	1.755	10	20	CDCD	
Cc1ccc(C(=O)N2CCOC[C@@H]2C)c(O)c1O	267582164	LASRZDBHVAEWFF-VIFPVBQESA-N	251.282	1.267	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@H](C)CO)c1	273407638	OWFADLYZECOYNP-BDAKNGLRSA-N	253.298	1.210	10	20	CDCD	
COC(=O)[C@H]1CCCCN1Cc1cc2c(cc1O)OCO2	271189376	OKDDLEVSKCSCJS-LLVKDONJSA-N	293.319	1.648	10	20	CDCD	
CCC[C@H]1CN(C(=O)c2c(F)ccc(O)c2O)CCO1	276534232	ICKKXVMEVGIVAD-VIFPVBQESA-N	283.299	1.878	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@]1(O)CCSC1	274972156	WGFXGMKHNULQGT-XPTSAGLGSA-N	297.376	1.013	10	20	CDCD	
O=C(NCc1c(O)ccc2c1CCCC2)c1cncnc1	274079602	VYYAXWBABMKIDV-UHFFFAOYSA-N	283.331	1.991	10	20	CDCD	
OC[C@@H]1C[C@H](O)CN1Cc1cc(-c2ccccc2)ccc1O	274929422	NVYDILAIEODKFM-IRXDYDNUSA-N	299.370	1.987	10	20	CDCD	
OC[C@H](CNCc1c(O)cccc1Cl)[C@H]1CCOC1	280243372	IKSOVFFLKVFQAG-QWRGUYRKSA-N	285.771	1.780	10	20	CDCD	
Oc1ccc(F)cc1CNCCN1CCCOCC1	289567727	ZJWAOIQGZPEQQZ-UHFFFAOYSA-N	268.332	1.343	10	20	CDCD	
CCCN(CC)C[C@H](C)NC(=O)c1cccc(O)c1O	812394667	UYOIHYFYBOFDPM-NSHDSACASA-N	280.368	1.948	10	20	CDCD	
CC[C@H](N)CN[C@H](C)c1cc([N+](=O)[O-])ccc1O	817981145	ZMBZMQCLSDIOMD-BDAKNGLRSA-N	253.302	1.688	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@H](N)CC(F)F)cc1F	827905923	CMYAXKPKYUKACU-JTQLQIEISA-N	289.301	1.490	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)c2ccc(CN)o2)c1	828667231	OLERFVAYTUYVAG-VIFPVBQESA-N	290.319	1.944	10	20	CDCD	
O=C(c1c(F)ccc(O)c1O)N1CCC(F)(F)C1	827877210	DSQIZMIUPKLJCU-UHFFFAOYSA-N	261.199	1.718	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@H]2CC[C@H]2C(=O)O)cc1F	901755641	UYTWMQHJECEDPT-GHMZBOCLSA-N	294.326	1.619	10	20	CDCD	
C[C@@H](NC(=O)c1cc(O)cs1)C1=CCN(C)CC1	831937142	RCOVCTUIPKGLFN-SECBINFHSA-N	266.366	1.834	10	20	CDCD	
CN(C)c1ccc(CNC[C@@]2(C)CCC(=O)N2)cc1	835060502	FIJFXPQGEPBSEB-OAHLLOKOSA-N	261.369	1.511	10	20	CDCD	
COC(=O)[C@@H](CC1CC1)NC(=O)c1cccc(O)c1O	839814247	KOHMDSHWCTZBBY-SNVBAGLBSA-N	279.292	1.169	10	20	CDCD	
COC[C@H](C)NC(=O)NCc1cc(OC)ccc1O	734063357	DQJLECARKSLDRJ-VIFPVBQESA-N	268.313	1.235	10	20	CDCD	
CCN(C)c1ccc(CN2CC[C@](CO)(COC)C2)cc1	832399917	HMIKQDIBDWUASZ-KRWDZBQOSA-N	292.423	1.974	10	20	CDCD	
CC[C@](C)(NC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)O	833639128	ZBRAHPUYJDHJQQ-DYLGSBMWSA-N	279.292	1.481	10	20	CDCD	
CCCOC(=O)[C@@H](C)OC(=O)c1ccc(C)c(O)c1O	744909573	JABIUQQKKQCNOG-SECBINFHSA-N	282.292	1.905	10	20	CDCD	
NC[C@H]1CCN(Cc2ccc(N3CCOCC3)c(F)c2)C1	843048532	FZHMDOACDZRPCK-CQSZACIVSA-N	293.386	1.443	10	20	CDCD	
CN1CCCc2cc(CNC(=O)[C@@H]3[C@H]4CNC[C@H]43)ccc21	844177575	KYUUJXUQNYBELM-FOLVSLTJSA-N	285.391	1.151	10	20	CDCD	
CC(C)(C)OC(=O)N1CC(NC(=O)c2cc(O)cs2)C1	743417897	QIZVLXISENVQLZ-UHFFFAOYSA-N	298.364	1.803	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)c2n[nH]c(C)c2O)c1	749244486	RTMROYGGFKCXHO-ZETCQYMHSA-N	291.307	1.629	10	20	CDCD	
Nc1ccc(CC(=O)NCCCCn2ccnc2)cc1	45093699	VWPPGWJEKBAHOV-UHFFFAOYSA-N	272.352	1.604	10	20	CDCD	
COc1cccc([C@H](C)NCC2(CO)CC2)c1O	846149363	YEVVPYGEMSVRLI-JTQLQIEISA-N	251.326	1.824	10	20	CDCD	
CC[C@@]1(NC(=O)NCCc2ccc(N)cc2)CCOC1	841957347	ADYDDVLWFUVYGM-OAHLLOKOSA-N	277.368	1.680	10	20	CDCD	
Nc1ccc(NC(=O)C(=O)N2CC3(CCCCC3)C2)cc1	841086771	LAZVVBMNFRSGJW-UHFFFAOYSA-N	287.363	2.000	10	20	CDCD	
OC[C@@H]1CN(Cc2cc(Cl)cc(F)c2O)CC[C@H]1O	840974754	FYAUORJMSNBLNJ-JOYOIKCWSA-N	289.734	1.360	10	20	CDCD	
CCCN1CC[C@@H](NC(=O)NCCc2ccc(N)cc2)C1	851665052	PEMAHCDLTRNHJV-OAHLLOKOSA-N	290.411	1.595	10	20	CDCD	
C[C@@H](NC[C@]1(O)CCSC1)c1cc([N+](=O)[O-])ccc1O	756637565	NUUDHXWOPSETQM-NOZJJQNGSA-N	298.364	1.819	10	20	CDCD	
Cc1cc(C)c([C@H](C)NCCN2CC[C@@H](O)C2)c(O)c1	858548798	PHQSUWQXUBPPBH-UONOGXRCSA-N	278.396	1.726	10	20	CDCD	
CCOc1ccc(O)c(CN[C@@H]2CCOC[C@H]2O)c1	858301308	VAKDSVKTHZKEJO-TZMCWYRMSA-N	267.325	1.030	10	20	CDCD	
C[C@H](N[C@@H](CO)C1CCOCC1)c1ccc(F)cc1O	757656554	BKUJBOSCIYABTK-HZMBPMFUSA-N	283.343	1.969	10	20	CDCD	
CCNC(=O)C(C)(C)NC(=O)c1cc(O)cs1	854903852	JXOVUEMBOQVTCC-UHFFFAOYSA-N	256.327	1.098	10	20	CDCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@H]2C=CCC2)c1	855428081	SFOMWCVQEVNURV-VIFPVBQESA-N	296.348	1.212	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2csc(O)n2)cc1	769680350	UTJIIRBDQHQQGZ-UHFFFAOYSA-N	277.349	1.845	10	20	CDCD	
CCOC(=O)C[C@@H](C)NC(=O)/C=C\c1ccc(O)c(O)c1	779532871	ULAGERLGTVYLQL-ONRRBMGISA-N	293.319	1.569	10	20	CDCD	
COc1cc(O)c(CN[C@H]2CCN(C)C2)cc1OC	776174706	RVRQJNQOFZZUDI-NSHDSACASA-N	266.341	1.203	10	20	CDCD	
C[C@@H](NC(=O)NCC[S@](C)=O)c1ccc(N(C)C)cc1	773300053	XUYGPLFIXPYNKE-GIPWTMENSA-N	297.424	1.491	10	20	CDCD	
CCCN1CCCC[C@H]1C(=O)NCc1ccc(O)c(O)c1	1116505062	BJXFQCFLHWSQCB-ZDUSSCGKSA-N	292.379	1.979	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@](C)(O)C(C)C)c1	771418882	SVBWVCWHBJJPJP-CQSZACIVSA-N	267.325	1.424	10	20	CDCD	
COC[C@@H](C)OC(=O)/C=C\c1ccc(O)c(O)c1	784286787	NMYUXLMUXOCWIE-XTULLQBASA-N	252.266	1.689	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CC2OCCO2)cc1	788626208	KJZQCMZZOHNBGD-UHFFFAOYSA-N	264.325	1.132	10	20	CDCD	
COc1cccc(CN2[C@H](C)C(=O)N(C)[C@@H](C)[C@H]2C)c1O	895921274	PAUBDVSOZRSLDV-QJPTWQEYSA-N	292.379	1.840	10	20	CDCD	
COCCN(C)CCN[C@@H](C)c1ccc(F)cc1O	62748513	PYHANWZERJTLHB-NSHDSACASA-N	270.348	1.760	10	20	CDCD	
CCC[C@H](CCO)NCc1cc2c(cc1O)OCO2	716934662	MTFYQIJQQHEJIK-LLVKDONJSA-N	267.325	1.762	10	20	CDCD	
C[C@H]1C[C@@H](C)N(C(=O)C(=O)NCCc2ccc(N)cc2)C1	1325381851	ZQGQTDOIJHYISV-NWDGAFQWSA-N	289.379	1.184	10	20	CDCD	
CN1CCCC[C@H]1CNC(=O)/C=C\c1ccc(O)c(O)c1	1337536503	UXYVKLLYXCBENZ-WOLRVDTOSA-N	290.363	1.712	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)CC(C)(C)CN)c1	1263113005	WTPVBDWWJYXWJN-JTQLQIEISA-N	280.368	1.953	10	20	CDCD	
Cn1nc2c(c1C(=O)NCc1cccc(O)c1O)CCC2	1520509759	VKFICDKTUJMARK-UHFFFAOYSA-N	287.319	1.250	10	20	CDCD	
CC[C@H](C(=O)O)C(=O)NCc1cccc(Cl)c1O	1604877913	DHLXKCXUUIKYMX-QMMMGPOBSA-N	271.700	1.773	10	20	CDCD	
COc1cccc(CNC2CC(C(=O)O)C2)c1O	1607322781	HSPHVRVJIOWORC-UHFFFAOYSA-N	251.282	1.354	10	20	CDCD	
Cn1nccc1[C@@H](NCc1ccccc1O)C(=O)O	1610615996	PPDFLZQRRXWQGF-GFCCVEGCSA-N	261.281	1.041	10	20	CDCD	
CCOc1ccc(N(C)C[C@H]2CC3(CNC3)C(=O)O2)cc1	1578182025	XEOZCAIURUEWSF-CQSZACIVSA-N	290.363	1.427	10	20	CDCD	
NC[C@@H]1CCCCN1C(=O)c1ccc(N=NC(N)=O)cc1	1580322725	YOMAZXXTFLCPKS-LBPRGKRZSA-N	289.339	1.802	10	20	CDCD	
C[C@@H](NCC1(C)OCCCO1)c1cc(C(=O)O)ccc1O	1593248756	LQUZXUIPRILYQP-SNVBAGLBSA-N	295.335	1.894	10	20	CDCD	
COc1ccc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc1F	18065102	KBWJTWGUTGOITB-UHFFFAOYSA-N	292.266	1.268	10	20	CDCD	
COC(=O)C[C@H]1CN(Cc2cc(C)cc(C)c2O)CCO1	164462442	MPZXEJVBBBWVHZ-AWEZNQCLSA-N	293.363	1.773	10	20	CDCD	
COc1cccc(CNC(=O)CCn2cccn2)c1O	155385276	RAPUJCGHKMTNBS-UHFFFAOYSA-N	275.308	1.304	10	20	CDCD	
COC[C@@H](NC(=O)NCc1cc(OC)ccc1O)C1CC1	159872405	BSBUYMQXDKLUEW-CYBMUJFWSA-N	294.351	1.625	10	20	CDCD	
CO[C@H]1CCN(Cc2ccccc2O)[C@@H](C(=O)O)C1	902031165	HWZQPPAGTINHJM-NWDGAFQWSA-N	265.309	1.456	10	20	CDCD	
CC(C)CO[C@H](C)C(=O)NCCc1ccc(N)cc1	818546095	MLIBVGXXHSEQAR-GFCCVEGCSA-N	264.369	1.989	10	20	CDCD	
COc1cccc(O)c1CNC[C@H]1CCCNC1=O	839196285	UMDPCGFPKDWSKQ-SNVBAGLBSA-N	264.325	1.017	10	20	CDCD	
COc1cc(Cl)cc(CNC[C@@H]2CCCNC2=O)c1O	839195595	LGPRAEVZJVIZDH-VIFPVBQESA-N	298.770	1.670	10	20	CDCD	
C[C@H](C[S@](C)=O)NCc1ccc2c(c1)CCCO2	921988533	FFTPTWPPAJRYSM-ZMZPIMSZSA-N	267.394	1.868	10	20	CDCD	
CC(=O)N1CCC(NCc2ccc(C)cc2O)CC1	876898331	KUJHIOZNUIDVIG-UHFFFAOYSA-N	262.353	1.801	10	20	CDCD	
CC[C@H](N[C@@H]1CCN(S(C)(=O)=O)C1)c1ccccc1O	400171202	KPAYRHARRNQMMV-YPMHNXCESA-N	298.408	1.467	10	20	CDCD	
COc1cccc(CN2CC[C@]3(CCN(C)C3)C2)c1O	312742354	VODJJJJNDCHQEQ-INIZCTEOSA-N	276.380	1.928	10	20	CDCD	
OC[C@@H](C[C@@H]1CCCO1)NCc1cc(F)ccc1O	895746850	GMUCAVSUGPEQNM-OLZOCXBDSA-N	269.316	1.551	10	20	CDCD	
CCN(C)C(=O)[C@@H](C)NC(=O)/C=C/c1ccc(O)c(O)c1	191557166	GEZQTEKUBGWHQW-QEHWCHDUSA-N	292.335	1.094	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)C(F)(F)C1(O)CCC1	136461994	LGTNHBHYZQEMAK-UHFFFAOYSA-N	285.290	1.901	10	20	CDCD	
CCOC(=O)CN(CC)Cc1cccc(OC)c1O	92399623	OOYXTTVLAGIHTR-UHFFFAOYSA-N	267.325	1.786	10	20	CDCD	
CC1(C)CCC[C@@]1(O)CNC(=O)c1cccc(O)c1O	294476295	RFGLMRQIEHKCMP-OAHLLOKOSA-N	279.336	1.769	10	20	CDCD	
COc1ccc(O)c(CNCC[C@@H]2CCOC2)c1	230393150	AAFMKQWYHWJZPY-LLVKDONJSA-N	251.326	1.917	10	20	CDCD	
NC[C@H]1CC[C@H](CNC(=O)Cc2ccc(N)cc2)CC1	294720671	CLTKDSPARYXOKO-HDJSIYSDSA-N	275.396	1.693	10	20	CDCD	
CC[C@@H](NC[C@H]1COCCN1)c1ccccc1O	530227801	VWEMXEUIVAHANG-WCQYABFASA-N	250.342	1.421	10	20	CDCD	
CC[C@H](CO)N[C@@H](C)c1cc([N+](=O)[O-])ccc1O	273415834	QWKONFHOOWVLRI-DTWKUNHWSA-N	254.286	1.722	10	20	CDCD	
CCC[C@H](CNC(=O)c1cccc(O)c1O)C(=O)OCC	279420748	IIEMPGSXHAMMDM-SNVBAGLBSA-N	295.335	1.807	10	20	CDCD	
Cc1ccc(C(=O)N2CCC(CO)CC2)c(O)c1O	272762340	QOBOMJYFZSHDOW-UHFFFAOYSA-N	265.309	1.251	10	20	CDCD	
CC[C@@H](NCC(=O)NCC(F)F)c1ccc(F)cc1O	286375242	AJTDCVYMMHDXNL-SNVBAGLBSA-N	290.285	1.953	10	20	CDCD	
CC[C@@H](NCCN1C(=O)CNC1=O)c1ccc(C)cc1O	280284280	YUDTVDUJROXTIO-GFCCVEGCSA-N	291.351	1.293	10	20	CDCD	
CCCOc1ccc(CN[C@H]2CCC(=O)N[C@@H]2C)c(O)c1	282325746	LHKBBMCIQJTIJJ-RISCZKNCSA-N	292.379	1.938	10	20	CDCD	
CC[C@H](O)CN[C@H](C)c1ccc(N2CCOCC2)cc1	281541357	BFXJCOBIDQSOJR-CJNGLKHVSA-N	278.396	1.945	10	20	CDCD	
CNC(=O)[C@H](CCSC)NCc1cc(F)ccc1O	809785566	YLPXVOBBLBCBQX-NSHDSACASA-N	286.372	1.489	10	20	CDCD	
CC[C@@H](C)N(CC(=O)OC)C(=O)c1ccc(C)c(O)c1O	297032404	VDOMVIDDQPWKOL-SNVBAGLBSA-N	295.335	1.820	10	20	CDCD	
O=C(N[C@@H](CO)CC1CCC1)c1c(F)ccc(O)c1O	295252323	ZGCBSDHRZYCCBO-SECBINFHSA-N	283.299	1.518	10	20	CDCD	
COC(=O)c1cnc(SCC(=O)c2cnn(C)c2)s1	295377594	SXKYPXUCDARRAB-UHFFFAOYSA-N	297.361	1.638	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)CCCCN	574574937	XHAYKOYQDGFAJR-UHFFFAOYSA-N	277.368	1.607	10	20	CDCD	
C[C@@H](NC(=O)[C@@H]1C[C@]12CCOC2)c1ccccc1O	827941776	YBDJNOFKBIYOEJ-GMXABZIVSA-N	261.321	1.996	10	20	CDCD	
Cc1onc(CO)c1C(=O)N[C@H](C)c1ccccc1O	827946484	JTOCUKAWKXFJAX-MRVPVSSYSA-N	276.292	1.672	10	20	CDCD	
CCCN(Cc1ccccc1O)[C@@H](C)C(=O)NCC(=O)O	829496541	HCHCECUWCHIAFP-NSHDSACASA-N	294.351	1.194	10	20	CDCD	
CCn1cc(C(=O)N[C@H](C)c2ccccc2O)nn1	828534448	CCDBNXCFYQGCAP-SECBINFHSA-N	260.297	1.495	10	20	CDCD	
Cc1ccc(O)c(CN(CCN(C)C)CC(=O)N(C)C)c1	827159198	ZJLDWWORKKJPBE-UHFFFAOYSA-N	293.411	1.152	10	20	CDCD	
Cc1ccn(CC(=O)NCc2ccc(N(C)C)c(F)c2)n1	822862178	HBNMXSKRFGKEIC-UHFFFAOYSA-N	290.342	1.713	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N(C)C(C)(C)C(=O)O)cc1	908758969	VEZXJZIFBXFMIO-UHFFFAOYSA-N	293.367	1.757	10	20	CDCD	
Cc1ccc2c(c1)N(C(=O)c1c(C)c[nH]c1CC(N)=O)CC2	900433784	QAZZOGIEHDJVFJ-UHFFFAOYSA-N	297.358	1.862	10	20	CDCD	
Cc1cc(CNC(=O)NCc2ccc(N(C)C)cc2)n[nH]1	733336762	WPOJIZCGERIIOM-UHFFFAOYSA-N	287.367	1.784	10	20	CDCD	
C[C@@H](C[C@@H](C)N)NC(=O)NCCc1ccc(N)cc1	831177982	HLXNXXSUOMPPFM-MNOVXSKESA-N	264.373	1.236	10	20	CDCD	
CCOC1CN(Cc2ccc(N3CCOCC3)cc2)C1	839133269	YIVWSEINCHUNOB-UHFFFAOYSA-N	276.380	1.744	10	20	CDCD	
O=C(O)[C@@]1(F)CCN(Cc2cc3c(cc2O)CCC3)C1	833174212	CLALRJMSKCILRL-OAHLLOKOSA-N	279.311	1.880	10	20	CDCD	
CCc1cc(C(=O)NCc2ccc(O)cc2O)c(C)nn1	910949804	QCLJYSOTFXABGO-UHFFFAOYSA-N	287.319	1.689	10	20	CDCD	
COc1ccc(O)c(CNC(=O)NCc2ccn(C)c2)c1	747957356	QOHBSLQSSPSFJK-UHFFFAOYSA-N	289.335	1.739	10	20	CDCD	
C[C@@H](NC(=O)N1CC[C@H](N)C1)c1ccc(N(C)C)cc1	841881613	AGOGXVOIGHIEPP-YPMHNXCESA-N	276.384	1.556	10	20	CDCD	
CN(C)c1ccc([C@@H](N)CNCc2ccnn2C)cc1	841044116	TUPBMCHBRXKMLN-HNNXBMFYSA-N	273.384	1.276	10	20	CDCD	
CCO/C=C/C(=O)NCc1cccc(OC)c1O	847589891	OYONYZYUNFBPLV-BQYQJAHWSA-N	251.282	1.567	10	20	CDCD	
CCc1cccc(CN2CC[C@H](O)[C@H](CO)C2)c1O	848918196	SAEDCIZEZWRWOP-KBPBESRZSA-N	265.353	1.130	10	20	CDCD	
CCn1cnnc1CNC(=O)NCc1cc(C)ccc1O	858143736	TWUVMVMKVBZMDQ-UHFFFAOYSA-N	289.339	1.311	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@@H]2CCN(C)C2)c1	756536290	UNQQBOMTQVJNRO-CMPLNLGQSA-N	278.352	1.534	10	20	CDCD	
COC[C@@H](CO)NCc1cc(OC)cc(C(C)(C)C)c1O	850282297	WRIVQGTXRNSFKF-GFCCVEGCSA-N	297.395	1.795	10	20	CDCD	
C[S@](=O)[C@H]1CCC[C@@H](NC(=O)c2cccc(O)c2O)C1	857309005	NWXYKDGWWLZCHA-ARNPGYACSA-N	297.376	1.517	10	20	CDCD	
CCOC(=O)CN(CC)C(=O)c1cc(O)cs1	754479256	ATVSRVDRGRHNDE-UHFFFAOYSA-N	257.311	1.479	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)c2nc(C)nn2C)c1	863499355	WUXSMOLZWMPCOQ-UHFFFAOYSA-N	260.297	1.068	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)C2(F)CCOCC2)c1	869411261	SNNBEORMUMUDIG-UHFFFAOYSA-N	267.300	1.836	10	20	CDCD	
Cc1nonc1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	763279507	LWNZCHSBRPVWJL-ZETCQYMHSA-N	277.280	1.150	10	20	CDCD	
C[C@H](c1ccc(N(C)C)cc1)N1C(=O)CN(C)C1=O	761576759	DTFGUDLUYSXVSI-SNVBAGLBSA-N	261.325	1.708	10	20	CDCD	
CCCn1cc(C(=O)NCc2cc(OC)ccc2O)nn1	767088242	NSGOEQFFYCNQHC-UHFFFAOYSA-N	290.323	1.332	10	20	CDCD	
Cc1cc(N(C)C(=O)/C=C\c2cnn(C)c2)ccn1	766605547	LNWMLEBXGYNCRK-PLNGDYQASA-N	256.309	1.800	10	20	CDCD	
CCN(CC)c1ccc(CN[C@H](CCO)C(=O)O)cc1F	1119549801	UCLLTQQBKKIQON-CYBMUJFWSA-N	298.358	1.597	10	20	CDCD	
O=C1N[C@H]2CN(Cc3cc(F)cc(F)c3O)CC[C@@H]2CO1	1119450390	QZPILTNJPRADPF-PELKAZGASA-N	298.289	1.601	10	20	CDCD	
COc1cccc(O)c1CN1CCC[C@H]([C@@H](C)O)C1	768519559	QXBRVPPHGBBUSX-NEPJUHHUSA-N	265.353	1.994	10	20	CDCD	
C[C@H](NC(=O)Cn1ccccc1=O)c1ccc(N(C)C)cc1	773002143	YDYZDWBRYYEIBA-ZDUSSCGKSA-N	299.374	1.792	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NC[C@H]2C[C@@H](O)C2)cc1F	875181839	WWBUDSUBVFAYCC-TXEJJXNPSA-N	295.358	1.462	10	20	CDCD	
COC[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)C(C)C	779526271	WWJPVJPGPFNYLM-SMYYYNMVSA-N	279.336	1.898	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H](CO)CC1CC1	779547427	KVONVNSMXUCWCU-TXNVCOODSA-N	277.320	1.388	10	20	CDCD	
Cc1cccc(O)c1CNC[C@@H](CO)[C@@H]1CCOC1	877493478	BWHTWJGNXPRWLI-OLZOCXBDSA-N	265.353	1.435	10	20	CDCD	
OC[C@@H]1CN(Cc2cc(Cl)ccc2O)C[C@@H]1CO	877764482	FTOBUUBPWCRYRV-PHIMTYICSA-N	271.744	1.078	10	20	CDCD	
CCOC(=O)C1=NN(c2ccccc2C(=O)O)C(=O)[C@H]1C	871948693	YTZWIIKSWFFNJB-QMMMGPOBSA-N	290.275	1.287	10	20	CDCD	
Nc1ccc(CNC(=O)N2CCCN3CCC[C@H]3C2)cc1	1120591925	MNRFVDVYYHXKCS-HNNXBMFYSA-N	288.395	1.649	10	20	CDCD	
CCCN(Cc1ccccc1O)[C@H](CC)C(N)=O	76074298	INRFVUMHANGXII-GFCCVEGCSA-N	250.342	1.868	10	20	CDCD	
Nc1ccc(CNC(=O)N2CC[C@]3(CCNC3)C2)cc1	1120677165	LWYRPZSGNMXFPC-HNNXBMFYSA-N	274.368	1.164	10	20	CDCD	
Cc1ncccc1C(=O)OCC(=O)c1ccc(O)c(O)c1	783576290	MBFOHBYZVJMQCE-UHFFFAOYSA-N	287.271	1.841	10	20	CDCD	
Cc1ccc(C(=O)NC[C@@H](O)CC(C)C)c(O)c1O	780971973	UFYBAVVYRKVMCL-JTQLQIEISA-N	267.325	1.543	10	20	CDCD	
CC[C@H](NC[C@@]1(O)CCN(C)C1)c1ccc(F)cc1O	796936125	DSRVMCVTWIXOSM-ZFWWWQNUSA-N	282.359	1.639	10	20	CDCD	
Oc1cccc(Br)c1CNCCn1cncn1	706799677	AODKKZOZOKPBLZ-UHFFFAOYSA-N	297.156	1.536	10	20	CDCD	
CNC(=O)[C@]1(C)CCN(Cc2cc(F)cc(F)c2O)C1	708433215	JJNUAZKEDRAQKP-CQSZACIVSA-N	284.306	1.628	10	20	CDCD	
COC[C@](C)(O)CNCc1c(O)ccc(Cl)c1F	790962692	GWCLJYFMDGCUBX-GFCCVEGCSA-N	277.723	1.672	10	20	CDCD	
CCc1cccc(CNCCN2CCCS2(=O)=O)c1O	691473096	GUUAMCRISWAWIF-UHFFFAOYSA-N	298.408	1.080	10	20	CDCD	
Cn1cc(CC(=O)Nc2c(Cl)ccc3nonc23)cn1	1323420863	ZPWBKZASGAQACR-UHFFFAOYSA-N	291.698	1.791	10	20	CDCD	
C[C@@H](CNC(=O)NCc1ccc(N)cc1)CN1CCCC1	1335400740	SKKJZXQPIKFGDG-ZDUSSCGKSA-N	290.411	1.800	10	20	CDCD	
CN(CC1(O)CCCC1)C(=O)NCc1ccc(N)cc1	1335726824	XYBNFBNBTJKOQU-UHFFFAOYSA-N	277.368	1.715	10	20	CDCD	
CN(C)[C@@H]1CCCN(C(=O)NCc2ccc(N)cc2)C1	1337079121	VVAGDBWPVYLTRD-CQSZACIVSA-N	276.384	1.504	10	20	CDCD	
CN[C@@H](C)CCNCc1ccc(N2CCOCC2)cc1	1261370491	LEKUBDKJCFQLMV-AWEZNQCLSA-N	277.412	1.611	10	20	CDCD	
CC1CCN(c2ccc(CNC(=O)CON)cc2)CC1	1340089655	FJRXPHQOUVVMAC-UHFFFAOYSA-N	277.368	1.429	10	20	CDCD	
O=C(O)[C@@H](CF)NCc1c(O)ccc(Cl)c1F	1608534425	SCFSZCQPDSVVLX-SSDOTTSWSA-N	265.643	1.697	10	20	CDCD	
O=C1NC(=S)S/C1=C\c1ccoc1C(=O)O	1602656109	KQKHHYTWRGSCHQ-HYXAFXHYSA-N	255.276	1.467	10	20	CDCD	
CC[C@@H](C(=O)O)N(C)Cc1ccc(F)c(F)c1O	1589443675	MWYZVLCCOZRZRX-VIFPVBQESA-N	259.252	1.965	10	20	CDCD	
C[C@H](NCCOCCF)c1cccc(-c2nn[nH]n2)c1O	1589964105	QRBNUHYIXXBKTD-VIFPVBQESA-N	295.318	1.209	10	20	CDCD	
CCOc1ccc(N(C)CC(=O)N2CCOCC2)cc1	150729675	CKQXFVSSBAKTOM-UHFFFAOYSA-N	278.352	1.380	10	20	CDCD	
COCCN[C@@H](C)c1ccc(N2CCOCC2)cc1	152092192	XOWAJOMZUABGTD-ZDUSSCGKSA-N	264.369	1.820	10	20	CDCD	
CCN(CC)c1ccc(CN2CC[C@H](C(N)=O)C2)cc1F	157123572	DNWXSYXUHFZGIB-ZDUSSCGKSA-N	293.386	1.979	10	20	CDCD	
OCCN1CCN(Cc2c(O)cccc2Cl)CC1	154560744	QJQWHJFKCCKDJI-UHFFFAOYSA-N	270.760	1.156	10	20	CDCD	
COc1cccc(O)c1CNCCO[C@H]1CCOC1	922938245	BPIZQQZLPLVQMF-NSHDSACASA-N	267.325	1.296	10	20	CDCD	
C[C@@H](NCc1ccc(N(C)C)cc1)[C@@H](C)C(=O)O	846228278	LPBUCOVKKUQKOZ-GHMZBOCLSA-N	250.342	1.951	10	20	CDCD	
CCCCS(=O)(=O)CC(=O)N(C)c1ccc(N)cc1	36333525	VXJCZOWFAYPPJR-UHFFFAOYSA-N	284.381	1.447	10	20	CDCD	
C[C@@H](NC1CC1)C(=O)N(C)Cc1ccc(N(C)C)cc1	294878021	XEHNVYSSHCHYKI-GFCCVEGCSA-N	275.396	1.852	10	20	CDCD	
CC(=O)N1CCCN(Cc2cc3c(cc2O)OCO3)CC1	105993674	OXBSJELCBIZHRG-UHFFFAOYSA-N	292.335	1.175	10	20	CDCD	
Cn1cnnc1[C@H]1CCCN1Cc1ccccc1O	179582800	TWMGWPLEMTZZBA-GFCCVEGCSA-N	258.325	1.858	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N2CCC(C)(O)CC2)cc1	178074078	QAGDEEUPILTIFX-UHFFFAOYSA-N	291.395	1.809	10	20	CDCD	
CCOc1cccc(CN(C)[C@H]2CCCCNC2=O)c1O	123892358	QBMVMBKXEJDVTN-ZDUSSCGKSA-N	292.379	1.891	10	20	CDCD	
CCN(C)c1ccc([C@H](C)NC[C@H](O)CN(C)C)cc1	305115041	HOWWSFCEDZKQQC-BBRMVZONSA-N	279.428	1.716	10	20	CDCD	
CC[C@@H](CCO)NC(=O)c1ccc(C)c(O)c1O	182820481	WXTDZXFMQLQAKO-VIFPVBQESA-N	253.298	1.297	10	20	CDCD	
COc1ccc(N2CCN(C(=O)[C@@H](C)OC)CC2)cc1	77551597	ZWIWOVQNKJYULR-GFCCVEGCSA-N	278.352	1.379	10	20	CDCD	
O=C(C[C@H]1CCCCO1)NCCc1ccc(O)c(O)c1	122437699	UBNOTHSUSMRNRE-GFCCVEGCSA-N	279.336	1.716	10	20	CDCD	
Cc1ccc(C(=O)NCCc2ncc[nH]2)c(O)c1O	182417318	AQYDEMSGYAMATD-UHFFFAOYSA-N	261.281	1.102	10	20	CDCD	
CCn1cc(C(=O)C(=O)N(C)Cc2ccccc2O)cn1	129604589	NQOFTSQPCKNIAC-UHFFFAOYSA-N	287.319	1.450	10	20	CDCD	
CCCN(Cc1ccccc1O)CC1OCCO1	182374260	REHJVUDAZREXJQ-UHFFFAOYSA-N	251.326	1.977	10	20	CDCD	
O=C(NCCO)NCc1ccc(N2CCSCC2)cc1	42874552	PVUFKRXYZSRRSK-UHFFFAOYSA-N	295.408	1.031	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCC1CC1	191681959	MEYDEXYEANDRBO-UHFFFAOYSA-N	289.379	1.237	10	20	CDCD	
Cc1ccc(O)c(CNC[C@]2(O)CCO[C@H]2C)c1	227965298	JYZSUHVGTPFEIC-SMDDNHRTSA-N	251.326	1.330	10	20	CDCD	
O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1CSCN1	195171516	VRUCEAOGBTZTAJ-CQSZACIVSA-N	291.420	1.566	10	20	CDCD	
CN1CCCc2cc(CNCc3cnn(C)n3)ccc21	293460138	DBPRIMARGDMDMM-UHFFFAOYSA-N	271.368	1.487	10	20	CDCD	
CCS(=O)(=O)C[C@H](C)N[C@H]1CCc2cccc(O)c21	296880381	OEJBZQZOXAAAQO-JQWIXIFHSA-N	283.393	1.792	10	20	CDCD	
CC[C@@H]1CN(Cc2cc3c(cc2O)OCO3)C[C@H]1O	271238502	BQEXJORRLDADAF-BXKDBHETSA-N	265.309	1.324	10	20	CDCD	
COc1cc(O)c(CN2CC[C@@](O)(C3CC3)C2)cc1OC	369677486	XJIWEHJIZPUZCP-INIZCTEOSA-N	293.363	1.756	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2C[C@H](C)OC[C@H]2C)c1O	278153822	CQCAJARDRRVSPF-ZJUUUORDSA-N	296.323	1.918	10	20	CDCD	
COc1cccc(CN2CCOC[C@H]2[C@H]2CCCO2)c1O	377689452	BPXKNLXAZKTAKG-UONOGXRCSA-N	293.363	1.781	10	20	CDCD	
CN(Cc1nnc2n1CCOC2)c1ccc2c(c1)OCO2	281430832	YTDKOLXADZJJFG-UHFFFAOYSA-N	288.307	1.173	10	20	CDCD	
CN1CCCc2cc(CNC(=O)NCCF)ccc21	281811551	NSULBLPFLXJNTM-UHFFFAOYSA-N	265.332	1.838	10	20	CDCD	
COc1ccc(CNC(=O)c2cnn(CCF)c2)c(O)c1	807454791	UZRYWUBIJYCLNF-UHFFFAOYSA-N	293.298	1.497	10	20	CDCD	
C[C@@H]1C[C@@H](CNC(=O)c2c(F)ccc(O)c2O)CCO1	297616445	WCZVKAFFAVWKFR-BDAKNGLRSA-N	283.299	1.782	10	20	CDCD	
CC[C@@H]1CN(C(=O)c2cc(O)cs2)C[C@H](C)[S@]1=O	807687836	CUMBEQWXRSQZBJ-CUKHZNJZSA-N	287.406	1.825	10	20	CDCD	
C[C@@H](N[C@H]1CCNC1)c1ccc(N2CCOCC2)c(F)c1	817945033	RVLRFOLBVMWWNU-OCCSQVGLSA-N	293.386	1.675	10	20	CDCD	
C[C@H](C(=O)O)N(C)Cc1cc2c(cc1O)OCO2	817779176	CNPISBJBNAFHTL-SSDOTTSWSA-N	253.254	1.026	10	20	CDCD	
COC[C@H](C)NC(=O)N[C@@H](C)c1cc(OC)ccc1O	729040834	IRPZBAXPJCMDRD-UWVGGRQHSA-N	282.340	1.796	10	20	CDCD	
COc1cc(O)c(CN(C)C(C)(C)C(=O)O)cc1OC	833730143	XQSLWIRUIMSAMA-UHFFFAOYSA-N	283.324	1.704	10	20	CDCD	
COc1cccc(CNC(=O)c2cncnc2C2CC2)c1O	836777469	KSDKWFGDEUGYAO-UHFFFAOYSA-N	299.330	1.998	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H](N)C1CC1	841965945	MBPSOFUHVJBYQR-OAHLLOKOSA-N	290.411	1.631	10	20	CDCD	
CN(C)c1ccc([C@H](N)CNCc2nccs2)cc1	841042390	JFEDWGUHTFBHRK-CYBMUJFWSA-N	276.409	1.999	10	20	CDCD	
C[C@H](NC(=O)NCC(=O)O)c1ccc(N(C)C)cc1	929042463	FJYUZSREWCWUKY-VIFPVBQESA-N	265.313	1.197	10	20	CDCD	
Cn1cc(C(=O)NCc2cc(Cl)ccc2O)nn1	857548587	PHWHLTLXOJUNJH-UHFFFAOYSA-N	266.688	1.104	10	20	CDCD	
COc1cccc(O)c1CN1CC[C@H](C)[C@H](CO)C1	857062153	YRVRYROPGWHQKS-RYUDHWBXSA-N	265.353	1.851	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)N[C@H]2C(=O)NCC[C@@H]2C)c1	858424994	CJAYTWMRHCMRFG-GXFFZTMASA-N	291.351	1.024	10	20	CDCD	
C[C@H](NC[C@@]1(O)CCOC1)c1cc(F)cc(F)c1O	756768396	DEIXCOOVIVZLKU-SDBXPKJASA-N	273.279	1.472	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)Cn2ccc(C)cc2=O)c1	862755607	IVJAVZIDTXUCOI-UHFFFAOYSA-N	286.331	1.487	10	20	CDCD	
C[C@@H]1C[C@H](NC[C@]2(O)CCN(C)C2)c2c(O)ccc(F)c21	762787614	MXKLMPVKGIOCSM-RSAASHCRSA-N	294.370	1.736	10	20	CDCD	
COc1cccnc1CC(=O)NCc1cc(C)ccc1O	862756189	SIQSKSUEUVYRCB-UHFFFAOYSA-N	286.331	1.963	10	20	CDCD	
C[C@H]1C[C@@H](C)CN1C(=O)C(=O)N(C)Cc1ccccc1O	1117879957	VPKJQARJCVYTAG-NEPJUHHUSA-N	290.363	1.608	10	20	CDCD	
C[C@@H](CO)NCc1ccc(N2CCC(O)CC2)cc1	877071200	GYHGHMYOTQNBRY-LBPRGKRZSA-N	264.369	1.118	10	20	CDCD	
COc1ccc(CNC(=O)[C@H](N)CCC(C)C)c(O)c1	876910489	DDMCMGOFCYKQFG-CYBMUJFWSA-N	280.368	1.781	10	20	CDCD	
CN(C(=O)[C@@H]1COCCN1CC(F)F)c1ccc(N)cc1	877076244	OXNIZRUSPFYSFU-LBPRGKRZSA-N	299.321	1.198	10	20	CDCD	
Cc1cccc(CNC[C@@](C)(O)C(=O)OC(C)(C)C)c1O	776520473	MFITZUPALHDPPL-MRXNPFEDSA-N	295.379	1.883	10	20	CDCD	
CC(C)(C)OC(=O)COC(=O)/C=C/c1ccc(O)c(O)c1	772774776	KSQLIDBXKFKYAA-FNORWQNLSA-N	294.303	1.996	10	20	CDCD	
C[C@H](NC[C@H](O)CN(C)C)c1c(O)cccc1F	886524336	ISLXPONXEYVKGQ-UWVGGRQHSA-N	256.321	1.104	10	20	CDCD	
C[C@H](CS(C)(=O)=O)N(Cc1ccc(N)cc1)C1CC1	1120262921	GKVYORIVRXDJTN-LLVKDONJSA-N	282.409	1.666	10	20	CDCD	
CCOc1ccc(O)c(CN2C[C@@H]3C[C@]3(CO)C2)c1	783737022	XYYVJVAPGLEEFH-SWLSCSKDSA-N	263.337	1.605	10	20	CDCD	
CC(C)(CNCc1ccccc1O)S(C)(=O)=O	93523155	FWNMEASPJJRCLB-UHFFFAOYSA-N	257.355	1.305	10	20	CDCD	
CCOc1ccc(CN2CC[C@](C)(C(=O)NC)C2)c(O)c1	797605457	RINZMGXWLWVPCV-INIZCTEOSA-N	292.379	1.749	10	20	CDCD	
Cc1ccc(O)c([C@H](C)NC[C@H](O)CN(C)C)c1	717354930	RNCIQEAZWWPKFZ-RYUDHWBXSA-N	252.358	1.274	10	20	CDCD	
COc1ccc(CNC(=O)NCCC[C@H](C)CO)c(O)c1	793130593	YCRHIUIHCXBAGO-NSHDSACASA-N	296.367	1.609	10	20	CDCD	
Cc1ccc(O)c(CN[C@H](C)CN2CCOCC2)c1	71407215	HSQLOCLDFUTINM-CYBMUJFWSA-N	264.369	1.511	10	20	CDCD	
COC[C@@H](NCc1cc2c(cc1O)OCO2)C(C)C	86683749	PVSCAIIAVFMLAU-LLVKDONJSA-N	267.325	1.882	10	20	CDCD	
C[C@@]1(CO)CCCN(C(=O)/C=C\c2ccc(O)c(O)c2)C1	1319922411	QKJFOPFHGQWZJK-DQOPKJQZSA-N	291.347	1.732	10	20	CDCD	
O=C(O)CN(C(=O)Cc1ccc(O)c(O)c1)C1CCC1	1606220184	WAUWAXUZICKYFG-UHFFFAOYSA-N	279.292	1.106	10	20	CDCD	
CC(=O)N1CCC(C(=O)N(C)Cc2ccccc2O)CC1	1321771025	ZIHQCXCGJZJTDH-UHFFFAOYSA-N	290.363	1.609	10	20	CDCD	
Cn1c(-c2sccc2O)nnc1N1CCOC(C)(C)C1	1338748544	DIFPGZKLFWCCOY-UHFFFAOYSA-N	294.380	1.864	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2NC[C@@H]3C[C@@H]32)c1	1332239345	TYAFXYUEULTTDA-XYDQJSOLSA-N	276.336	1.186	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@H](N)Cc2ccccn2)cc1	1340017904	GAGOYBWOMVYUBI-MRXNPFEDSA-N	298.390	1.334	10	20	CDCD	
CCc1ccc(CC(=O)NCc2cccc(O)c2O)nc1	1350300859	ZIBJQGFVMVGULG-UHFFFAOYSA-N	286.331	1.914	10	20	CDCD	
C[C@H](NC1CCN(C)CC1)c1cc(C(=O)O)ccc1O	1609777376	LDUDSMNEGLTACY-JTQLQIEISA-N	278.352	1.835	10	20	CDCD	
CC1(O)CN(c2ccc(/C=C/C(=O)O)cc2[N+](=O)[O-])C1	1604595399	MSXWNXQJCIDJKA-HWKANZROSA-N	278.264	1.264	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@]1(F)CCNC1	1573786569	VRTRVDHIWCRFQO-CQSZACIVSA-N	287.331	1.196	10	20	CDCD	
C[C@H](C(=O)O)N(C(=O)c1cc(O)cs1)C1CC1	1588589822	SYPVHLXSGKZMDG-ZCFIWIBFSA-N	255.295	1.531	10	20	CDCD	
CC(C)(C(=O)O)C(=O)NCc1cccc(Cl)c1O	1588618585	VOCKRHMXGGDLCB-UHFFFAOYSA-N	271.700	1.773	10	20	CDCD	
CC[C@H](CNCc1cc(F)c(F)cc1O)C(=O)O	1589552677	SIDLNEHTIPYZPC-SSDOTTSWSA-N	259.252	1.871	10	20	CDCD	
C[C@H](NC[C@H]1CCCO1)c1cc(C(=O)O)ccc1O	1593256438	HRGMCHYRIOBDRH-GXSJLCMTSA-N	265.309	1.920	10	20	CDCD	
CCn1nc(C)c(CNCc2ccc(C(=O)O)cc2O)n1	1777015810	ILJSOCWCBAGRSR-UHFFFAOYSA-N	290.323	1.300	10	20	CDCD	
CO[C@@H](CNCc1c(O)ccc(Cl)c1F)CC(=O)O	1777147393	ZYCQQLOCUVZCCP-SSDOTTSWSA-N	291.706	1.764	10	20	CDCD	
CNS(=O)(=O)[C@H]1CCN(Cc2cc(C)cc(C)c2O)C1	164542433	JIKVSLLZGLIKJL-ZDUSSCGKSA-N	298.408	1.133	10	20	CDCD	
NCCCCn1cc(COc2ccc(N)cc2)nn1	864623776	ZXTPLBFDRZBORD-UHFFFAOYSA-N	261.329	1.178	10	20	CDCD	
Cc1cccc(O)c1CN(C)Cc1nnc2n1CCC2	876558688	VJSNNOTXIZDLKT-UHFFFAOYSA-N	272.352	1.870	10	20	CDCD	
Cc1cccc(O)c1CN[C@H](C)CN1CCOCC1	892580804	NLAGIKLYDZGWSU-CYBMUJFWSA-N	264.369	1.511	10	20	CDCD	
CCOC(=O)N1CCN(Cc2cc(C)ccc2O)CC1	158409014	UEBILIKCDIJPPO-UHFFFAOYSA-N	278.352	1.975	10	20	CDCD	
CC[C@H](N)C(=O)N(CC)Cc1ccc(N(C)C)cc1	37807418	CQWPKGGYAGFUTN-AWEZNQCLSA-N	263.385	1.838	10	20	CDCD	
CC[C@@H](C)NC(=O)CCNCc1cccc(OC)c1O	38013693	KNZKXEWYDJONOK-LLVKDONJSA-N	280.368	1.795	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)NCCCO	115854074	RIJINLRWEUMSRP-UHFFFAOYSA-N	265.357	1.243	10	20	CDCD	
O=C(CCc1nnc[nH]1)NCc1ccc(N2CCCC2)cc1	176819257	LCXFZXKGRSDMEK-UHFFFAOYSA-N	299.378	1.654	10	20	CDCD	
Cc1ccc(C(=O)NC[C@H]2CCCOC2)c(O)c1O	182155178	ICBFPQWTKXMXQS-SNVBAGLBSA-N	265.309	1.563	10	20	CDCD	
O=C(NC[C@@]1(O)CCc2ccccc21)c1cccc(O)c1O	187201899	CAGAWMAAFSKXMQ-KRWDZBQOSA-N	299.326	1.662	10	20	CDCD	
COc1ccc(O)c(CN2C[C@H](C)NC[C@@H]2C)c1	86467091	FDBYPWYZWMKETG-QWRGUYRKSA-N	250.342	1.583	10	20	CDCD	
CNCCCC(=O)NCc1ccc(N2CCOCC2)cc1	237185988	STRJAKJSRHBXGS-UHFFFAOYSA-N	291.395	1.139	10	20	CDCD	
CCOC(=O)NCCC(=O)Nc1ccc(N)cc1	236905214	WSHUZLYMJAPIES-UHFFFAOYSA-N	251.286	1.344	10	20	CDCD	
CC(=O)NCCCCCC(=O)NCc1ccc(O)c(O)c1	269099995	ONSMTHHPGCBWFN-UHFFFAOYSA-N	294.351	1.411	10	20	CDCD	
O=C(NCCCO[C@@H]1CCOC1)c1cccc(O)c1O	274948587	HSVKBMPTCYNIHS-SNVBAGLBSA-N	281.308	1.023	10	20	CDCD	
COC(=O)[C@@H](NCc1cccc(OC)c1O)C1CC1	276547292	YQBRJGOORSKSCF-LBPRGKRZSA-N	265.309	1.442	10	20	CDCD	
CCOc1ccc(O)c(CN[C@@H]2CS(=O)(=O)C[C@@H]2C)c1	288492766	HLIOGHXQKIIQIK-GXFFZTMASA-N	299.392	1.314	10	20	CDCD	
CC[C@@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)OC	291937908	CNYJSECBQRSCPF-ZRQQLDRUSA-N	265.309	1.652	10	20	CDCD	
CO[C@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)C1CC1	294326335	ASALBZPQBCPWLH-UFZAZABTSA-N	277.320	1.652	10	20	CDCD	
NC(=O)[C@H]1CC[C@H](CNC(=O)c2cccc(O)c2O)CC1	817624406	CHNDMCUIRDEAPX-MGCOHNPYSA-N	292.335	1.119	10	20	CDCD	
Cn1cc([C@@H]2CN(Cc3cc(F)ccc3O)C[C@H]2N)cn1	818431378	KBYORTQKCQWFFZ-UONOGXRCSA-N	290.342	1.192	10	20	CDCD	
CC1(O)CCC(NC(=O)c2c(F)ccc(O)c2O)CC1	826696131	VKFMIYQTAMDLSM-UHFFFAOYSA-N	283.299	1.660	10	20	CDCD	
CCn1nccc1CNCc1cc(OC)c(OC)cc1O	827956788	QTJJHQISCAQHJE-UHFFFAOYSA-N	291.351	1.916	10	20	CDCD	
COc1ccc(N2CCN(C[C@H]3CCC(=O)O3)CC2)cc1	821387234	RLHZDCPHFMPALU-OAHLLOKOSA-N	290.363	1.523	10	20	CDCD	
CCN1CCN([C@H](C)CNC(=O)c2cc(O)cs2)CC1	827500436	AOOLSTXBORETAZ-LLVKDONJSA-N	297.424	1.210	10	20	CDCD	
C[C@H](CC(=O)O)NCc1ccc(N(C)C)c(F)c1	738890330	HMQHAPWLZKKVKS-SECBINFHSA-N	254.305	1.845	10	20	CDCD	
Cn1ncc2c1CCC[C@@H]2NC(=O)c1cc(O)cs1	731868795	WEVUGSXQDBDFSU-JTQLQIEISA-N	277.349	1.995	10	20	CDCD	
Cn1nc(C2CC2)cc1S(=O)(=O)Nc1ccc(O)cc1	901817192	ZXNOSMUXQOELAY-UHFFFAOYSA-N	293.348	1.804	10	20	CDCD	
CCCN1CCN(C(=O)c2cc(O)cs2)CC1	732277648	PZZPMQTYCNMNMS-UHFFFAOYSA-N	254.355	1.622	10	20	CDCD	
C[C@@H](CN(C)Cc1ccc(N2CCOCC2)cc1)C(=O)O	901596664	AVOXAYVRYBWCPL-ZDUSSCGKSA-N	292.379	1.676	10	20	CDCD	
CN(C)c1ccc([C@@H](N)CNC(=O)c2ccccn2)cc1	832285427	QMGGGVCIWFAWAC-AWEZNQCLSA-N	284.363	1.577	10	20	CDCD	
COCCOC[C@H](C)NCc1ccc(OC)cc1O	742377145	MYVHXZJAIPBBFY-NSHDSACASA-N	269.341	1.542	10	20	CDCD	
O=C(NCc1ccccc1O)NCC1CC2(C1)OCCO2	915526158	UKCSEAVONLLMJE-UHFFFAOYSA-N	292.335	1.345	10	20	CDCD	
CCn1ccc(CNCc2cc3c(cc2O)OCO3)n1	840956489	UAFBMRWIFSIUQV-UHFFFAOYSA-N	275.308	1.627	10	20	CDCD	
C[C@H]1CC[C@@H](NC(=O)C(=O)Nc2ccc(N)cc2)C1	841095102	AFFFNWLIMUTXND-JOYOIKCWSA-N	261.325	1.512	10	20	CDCD	
Cc1noc([C@H](C)N(C)C(=O)c2ccc(C)c(O)c2O)n1	848323263	DJRIRZGQVQYNCZ-QMMMGPOBSA-N	291.307	1.931	10	20	CDCD	
CCN(C(=O)C(=O)Nc1ccc(N)cc1)C1CCCC1	841017759	YYAHLKOJQJVSTI-UHFFFAOYSA-N	275.352	1.998	10	20	CDCD	
Cc1ccc(C(=O)N2C[C@@H]3[C@@H](C2)C3(F)F)c(O)c1O	846603243	KQNOROMQTROERI-RKDXNWHRSA-N	269.247	1.743	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)NCCN1CCCC1=O	845473810	ABKCASWPCYAVKE-UHFFFAOYSA-N	291.351	1.156	10	20	CDCD	
CC1(C)CNCCN1Cc1cc2c(cc1O)OCO2	843054461	MTRUSSUFYLTNLY-UHFFFAOYSA-N	264.325	1.305	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)NCC2(N)CCC2)c1	841967574	VGGYKLAMZDMPRP-SNVBAGLBSA-N	293.367	1.642	10	20	CDCD	
CC(=O)NCC(=O)NCc1ccc(N2CCCCC2)cc1	742830697	KLANHLKMGWNPGX-UHFFFAOYSA-N	289.379	1.429	10	20	CDCD	
CCCN(Cc1ccccc1O)[C@H]1C[C@H](N)C[C@@H]1O	923310056	CIOYOESQNUDLFB-YDHLFZDLSA-N	264.369	1.455	10	20	CDCD	
CN(C)C1(CNC(=O)NCc2cc(Cl)ccc2O)CC1	922986262	GGNJCYDRKRPIPU-UHFFFAOYSA-N	297.786	1.939	10	20	CDCD	
O=C(NCc1ccc(N2CCC(O)CC2)cc1)NC1CC1	851906157	JHHVFESBWXFBOM-UHFFFAOYSA-N	289.379	1.609	10	20	CDCD	
CCc1nc(COC(=O)/C=C/c2ccc(O)c(O)c2)no1	759581410	VMGWONDMWXJROR-GQCTYLIASA-N	290.275	1.800	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NCC(=O)NCC2CC2)c1	858351456	QFJASEQIXOBXDB-UHFFFAOYSA-N	291.351	1.026	10	20	CDCD	
CCN(Cc1cc(F)c(N(C)C)cc1F)[C@@H]1CCNC1=O	862354203	ONPXHQTYHNXCPU-CYBMUJFWSA-N	297.349	1.741	10	20	CDCD	
O=C(N[C@H]1CCOC2(CCOCC2)C1)c1cc(O)cs1	769366617	WPFCJWFYCHJYPI-JTQLQIEISA-N	297.376	1.912	10	20	CDCD	
COc1cccc(O)c1CN1CC[C@@H](C)[S@](=O)CC1	763494457	ULDVKUKGRKSJIP-NSPYISDASA-N	283.393	1.744	10	20	CDCD	
Cc1ccc(C(=O)OCc2ccnn2C)c(O)c1O	773500762	IHYVININPXJFTP-UHFFFAOYSA-N	262.265	1.497	10	20	CDCD	
COc1cc(O)c(CN[C@@H]2CCN(C)C2)cc1OC	776174701	RVRQJNQOFZZUDI-LLVKDONJSA-N	266.341	1.203	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@](C)(O)C1	776148396	DCJNFRRCTQIMRW-INIZCTEOSA-N	291.395	1.727	10	20	CDCD	
COCCOC[C@@H](C)NC(=O)/C=C\c1ccc(O)c(O)c1	779523946	HACRQXNTWYGYAL-VLWUPBBWSA-N	295.335	1.279	10	20	CDCD	
COc1ccc(O)c([C@H](C)N[C@H](CO)C[C@H]2CCCO2)c1	886670460	PQJUZNTZMGSTCX-SGMGOOAPSA-N	295.379	1.981	10	20	CDCD	
C[C@@H]1CC(=O)NCCN1Cc1cc(F)cc(F)c1O	894783583	WADAEYJBUBUJFG-MRVPVSSYSA-N	270.279	1.381	10	20	CDCD	
CCOc1ccc(CN2C[C@@H](O)C[C@@]2(C)CO)c(O)c1	895329874	KGJHJXTUHJSXBG-WFASDCNBSA-N	281.352	1.109	10	20	CDCD	
COc1ccc(N2CCC(NC[C@@H]3COCO3)CC2)cc1	894875289	AIRYRFIEQVNWHD-MRXNPFEDSA-N	292.379	1.627	10	20	CDCD	
CCOC(=O)CN(C)Cc1ccc(OC)c(OC)c1O	891581098	VGNCRXCRAUEQRT-UHFFFAOYSA-N	283.324	1.404	10	20	CDCD	
C[C@H](CCNCc1cc([N+](=O)[O-])ccc1O)N(C)C	895297447	MGIFAPBYZIRMLZ-SNVBAGLBSA-N	267.329	1.730	10	20	CDCD	
COc1ccc(CN2CCc3c[nH]nc3C2)c(O)c1OC	892092306	SIBBVEKDJBXDOX-UHFFFAOYSA-N	289.335	1.691	10	20	CDCD	
O=S1(=O)CCCC[C@@H]1CNCc1ccc2c(c1)CCO2	694584271	MMKFIYFCAVOMNL-CQSZACIVSA-N	295.404	1.678	10	20	CDCD	
C[C@H]1CCN(CCNCc2cc(F)ccc2O)C1	779120229	FEAWGJFENWYLPG-NSHDSACASA-N	252.333	1.963	10	20	CDCD	
CC[C@@H](CCO)CNCc1cc2c(cc1O)OCO2	94948829	QUYKXEIJXHYWBL-JTQLQIEISA-N	267.325	1.619	10	20	CDCD	
Nc1ccc(CCNC(=O)c2cnc(C3CC3)[nH]2)cc1	1328224334	PIXKSKFTJIXORO-UHFFFAOYSA-N	270.336	1.842	10	20	CDCD	
Nc1ccc(CNC(=O)NCCCCCO)cc1	1337070024	GJVAJOYFQACELC-UHFFFAOYSA-N	251.330	1.231	10	20	CDCD	
CN(CCCF)Cc1cc2c(cc1O)OC[C@@H]2O	1349957993	GOJAUYCFWWKPBX-LBPRGKRZSA-N	255.289	1.609	10	20	CDCD	
C[C@@H]1NCCn2c(C(=O)NCc3ccccc3O)ccc21	1343539894	ALACEOAVWDICMT-NSHDSACASA-N	285.347	1.788	10	20	CDCD	
Cc1nn(C)c(C)c1CNC(=O)NCc1ccc(N)cc1	1262576412	PHHGAZBNZBMNIJ-UHFFFAOYSA-N	287.367	1.619	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H](CO)C(C)C	1347375414	QUTGDGUGLOXREX-HNNXBMFYSA-N	293.411	1.877	10	20	CDCD	
CN(C)c1cc(F)c(CNCc2cnnn2C)cc1F	1351340861	HOXNXMRARODJIT-UHFFFAOYSA-N	281.310	1.449	10	20	CDCD	
CC(=O)c1cc(Cl)cc(CN2CCNC(=O)[C@H]2C)c1O	106359002	XJYPUFORZQUUEI-MRVPVSSYSA-N	296.754	1.569	10	20	CDCD	
C[C@@H]1C[C@H](C(=O)O)CCN1C(=O)c1cc(O)cs1	1607445852	ITZMIQUNPXWNQA-HTQZYQBOSA-N	269.322	1.779	10	20	CDCD	
O=C(O)[C@@H](CC1CCOCC1)NCc1cccc(F)c1O	1608533493	PSPOXWDPYHKWDB-CYBMUJFWSA-N	297.326	1.891	10	20	CDCD	
CCOc1cccc(CNC[C@]2(O)CCO[C@H]2C)c1O	227976309	RVROYRDVFVEVSJ-XHDPSFHLSA-N	281.352	1.420	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC[C@@H](O)C(F)(F)F)c1	119995032	XEXQSQXCMUTAMP-WRWORJQWSA-N	279.258	1.975	10	20	CDCD	
C[C@@H](NC[C@H](O)C(F)(F)F)c1cc(C(=O)O)ccc1O	1593285419	DTIDJJJALUSETQ-LDWIPMOCSA-N	293.241	1.664	10	20	CDCD	
Cc1cc(C(=O)NCc2ccc(N(C)C)c(F)c2)ncn1	161836421	ITYMLLIBSZISBY-UHFFFAOYSA-N	288.326	1.920	10	20	CDCD	
C[C@H](NCc1nnn(C(C)(C)C)n1)c1ccccc1O	846846785	XKERYLQYNGVYRK-JTQLQIEISA-N	275.356	1.985	10	20	CDCD	
CNC(=O)N1CCN(Cc2ccc(C)cc2O)CC1	876768815	NSFDNPDEKZFNLY-UHFFFAOYSA-N	263.341	1.158	10	20	CDCD	
Cc1ccc(CN[C@H](CO)C[C@H]2CCCO2)c(O)c1	895749391	QSKIHHPCBGPFBR-UONOGXRCSA-N	265.353	1.720	10	20	CDCD	
Cc1nnc(CCNC(=O)c2cccc(O)c2O)s1	291348056	XGJLMHQOAHGQLB-UHFFFAOYSA-N	279.321	1.230	10	20	CDCD	
Cc1cccc(CN2CCC[C@@H](NS(C)(=O)=O)C2)c1O	179692306	FSWQZURZPNCBED-CYBMUJFWSA-N	298.408	1.214	10	20	CDCD	
COc1ccc(O)c(CN[C@H]2CC[C@@H](CO)C2)c1	295141707	ZTZGDLBKLZEVJQ-PWSUYJOCSA-N	251.326	1.651	10	20	CDCD	
Oc1cccc2c1[C@@H](NCCN1CCC(O)CC1)CC2	321542509	LBVLYHTVEIAOEF-AWEZNQCLSA-N	276.380	1.426	10	20	CDCD	
CN(C(=O)[C@@H]1CCCN(C(N)=O)C1)c1ccc(N)cc1	702085578	AZBFTGQDBMATTC-SNVBAGLBSA-N	276.340	1.022	10	20	CDCD	
COc1cccc(CNC(=O)CCOC(C)C)c1O	105651647	WYFAGEGQILNELX-UHFFFAOYSA-N	267.325	1.832	10	20	CDCD	
Cc1cc(O)c(CN(C)[C@H]2CCS(=O)(=O)C2)cc1C	27165347	PUOHKPVFYWPMSI-ZDUSSCGKSA-N	283.393	1.628	10	20	CDCD	
CC[C@@H]1CN(C(=O)c2cccc(O)c2O)CCCO1	281559290	KVAOXFXNNARZIB-SNVBAGLBSA-N	265.309	1.739	10	20	CDCD	
COc1cccc(CNC(=O)NCCOC(C)C)c1O	186868370	JTSCIZBRQSPWRF-UHFFFAOYSA-N	282.340	1.625	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)c1ccc(O)cc1F	182546552	KFVNTMSUMMDHQG-UHFFFAOYSA-N	277.251	1.873	10	20	CDCD	
CNC(=O)CCNCc1cc(Br)ccc1O	74371780	XFGVKRDVHJHMNY-UHFFFAOYSA-N	287.157	1.380	10	20	CDCD	
COc1cccc(CN2CCC(C3OCCO3)CC2)c1O	130101744	XXCIHTBOORYGLN-UHFFFAOYSA-N	293.363	1.986	10	20	CDCD	
C[C@H](NC[C@@H]1COCCN1)c1ccc(F)cc1O	530227843	WHMCPMUUIGQZGU-GXSJLCMTSA-N	254.305	1.170	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@H]2C[C@@]23CCOC3)c1	363806079	VMFAFXPYUSIKOQ-IUODEOHRSA-N	277.320	1.444	10	20	CDCD	
C[C@H](NCc1ccc(N(C)C)cc1)C(=O)NCCF	282829543	ZFUJIODWZZBXGB-NSHDSACASA-N	267.348	1.316	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CCn2ccnc2)cc1F	299679101	RGIAAQJAXWWHHX-UHFFFAOYSA-N	290.342	1.795	10	20	CDCD	
CCCNC(=O)NC(=O)CN(CC)c1ccc(OC)cc1	299385565	PLELUDSQUFFUJH-UHFFFAOYSA-N	293.367	1.757	10	20	CDCD	
COc1cccc(CNC(=O)NCc2cncn2C)c1O	292483545	ZSBDHNVJIJEWDI-UHFFFAOYSA-N	290.323	1.134	10	20	CDCD	
C[C@@H](NC[C@@H](N)c1ccc(N(C)C)cc1)[C@H]1CCCCN1	817943854	WAYZRDNYXANXQP-KBRIMQKVSA-N	290.455	1.873	10	20	CDCD	
C[C@H](C(=O)O)C(=O)N1CCOc2cc(N(C)C)ccc21	564570809	COJRHIGFPNLFIR-VIFPVBQESA-N	278.308	1.199	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H]2CCCC[C@H]2N)c1O	818431978	YSYGZHYOEDCJFU-GHMZBOCLSA-N	295.339	1.669	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)NCCC(=O)O)cc1	818197370	CJDPRDIVQNAKRK-UHFFFAOYSA-N	293.367	1.807	10	20	CDCD	
CCN(CC(N)=O)Cc1ccc2ccccc2c1O	816590412	ZOUYKIZVDXBPMS-UHFFFAOYSA-N	258.321	1.853	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@H]2[C@@H]3CNC[C@@H]32)c1	817977340	HXZXKQCLGWIMQP-HDRXNWCYSA-N	276.336	1.047	10	20	CDCD	
O=C(/C=C\c1cncc(O)c1)N1C[C@@H](CO)c2ccccc21	492975443	VBEBRMDIYMJVAA-SZZPACECSA-N	296.326	1.923	10	20	CDCD	
O=C(C[C@@H]1CCC(=O)N1)NCCCSc1nccs1	827474671	IWPUTJXLCIFMRB-VIFPVBQESA-N	299.421	1.410	10	20	CDCD	
C[C@]1(C(=O)NCc2ccc(N3CCCC3)cc2)CCNC1	827005570	VTIBTWMCECBJTJ-KRWDZBQOSA-N	287.407	1.903	10	20	CDCD	
COc1ccc(CNC(=O)CCC2CCNCC2)c(O)c1	832177845	HUQCGAGWIQQZSK-UHFFFAOYSA-N	292.379	1.797	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)Cc2cnc[nH]2)c1	901127895	OZECBQBZAVDPMV-VIFPVBQESA-N	275.308	1.544	10	20	CDCD	
CC(C)OC[C@H](C(=O)O)N(C)Cc1ccccc1O	833504297	BNGHDKJAKCKYNM-GFCCVEGCSA-N	267.325	1.702	10	20	CDCD	
C[C@H](CCC1CC1)NC(=O)C(=O)Nc1ccc(N)cc1	841089422	MUAGJMCOMLWRMZ-SNVBAGLBSA-N	275.352	1.902	10	20	CDCD	
C[C@H]1CNC[C@@H](C)N1Cc1ccc(N2CCOCC2)cc1	843065880	RAFKTKIVCOOHNZ-GASCZTMLSA-N	289.423	1.705	10	20	CDCD	
COc1cccc([C@H](C)N[C@H](C)[C@H]2CN(C)CCO2)c1O	846157257	SVDTUDCDWFTXSY-YWPYICTPSA-N	294.395	1.771	10	20	CDCD	
COc1ccc(N(C)CCN(C)Cc2cnn(C)n2)cc1	844401433	LGTZACGNZGLUFY-UHFFFAOYSA-N	289.383	1.392	10	20	CDCD	
O=C1CC[C@@H](Sc2ncc(Cl)s2)C(=O)N1	850000010	GLRWDACDJAHDEC-SCSAIBSYSA-N	262.743	1.694	10	20	CDCD	
COc1ccc(N2CCN(CN3CCC3=O)CC2)cc1	857229118	JOEDSAZNCRUIRK-UHFFFAOYSA-N	275.352	1.007	10	20	CDCD	
Cc1cc(O)c(CN(C)[C@]2(CO)CCOC2)cc1C	862426937	QMUXJLPQLDAGIC-HNNXBMFYSA-N	265.353	1.592	10	20	CDCD	
COC(=O)[C@@H](NCc1cc2c(cc1O)OCO2)C(C)(C)C	768518466	FWECGKSIFNZFTH-CYBMUJFWSA-N	295.335	1.798	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)C[C@H]2CCC(=O)NC2)c1	862755505	UOOLQQISSOIBPR-LLVKDONJSA-N	276.336	1.233	10	20	CDCD	
CCOc1ccc(CN(C)Cc2nc[nH]n2)c(O)c1	769459816	GLTRXQRBCKHCCU-UHFFFAOYSA-N	262.313	1.541	10	20	CDCD	
CN(C)c1ccc(CN2CC[C@@H](C3OCCO3)C2)cc1	932000297	BXNCQBABISGBHL-CQSZACIVSA-N	276.380	1.947	10	20	CDCD	
CC(C)(C)CS(=O)(=O)NCc1ccc(O)cc1O	867417340	SABWKVPAAYGLCC-UHFFFAOYSA-N	273.354	1.563	10	20	CDCD	
Cc1ccc(CN2CC(=O)N(CC(F)(F)F)C2)c(O)c1	877475936	YKVVJRSYHWRCNO-UHFFFAOYSA-N	288.269	1.865	10	20	CDCD	
Cc1cccc(CN2CCC(OCCO)CC2)c1O	775734013	XXKSEIZKHHUOTB-UHFFFAOYSA-N	265.353	1.674	10	20	CDCD	
C[C@@H](NC(=O)[C@@]1(O)CCSC1)c1ccc(N(C)C)cc1	775412014	UEUAQQCUAULQET-IAQYHMDHSA-N	294.420	1.798	10	20	CDCD	
C[C@H]1CCN(C(=O)C(=O)N(C)Cc2ccccc2O)[C@H]1C	1117904694	IXHXAEKOLSOXGV-RYUDHWBXSA-N	290.363	1.608	10	20	CDCD	
C[C@H]1CC[C@@H](C)N1CC(=O)NCc1ccc(O)c(O)c1	778924216	SZAPMKUPZICXNA-PHIMTYICSA-N	278.352	1.587	10	20	CDCD	
COc1cc(C)cc(CN2CC(C(C)(C)O)C2)c1O	894976971	NYMRQUBXKXKBRX-UHFFFAOYSA-N	265.353	1.912	10	20	CDCD	
CC[C@H](NC(=O)NCc1ccc(N(C)C)cc1C)C(=O)O	780578333	WKBAVSXBXZFHQF-ZDUSSCGKSA-N	293.367	1.723	10	20	CDCD	
COc1ccc(CNC[C@H](O)CC(C)C)c(O)c1OC	892750176	RLQZSTAUHHAVIW-GFCCVEGCSA-N	283.368	1.906	10	20	CDCD	
O=C(NCCOc1ncccc1F)c1cccc(O)c1O	790900204	VTVVMAMKELWTGD-UHFFFAOYSA-N	292.266	1.441	10	20	CDCD	
C[C@@H](NC(=O)c1csc(CCN)n1)c1ccccc1O	877255700	HNUJMAVEKKLKLK-SECBINFHSA-N	291.376	1.841	10	20	CDCD	
O=C(O)[C@@]1(O)CCN(Cc2cc(Cl)ccc2O)C1	1601722864	ZHJOTHHUFZFATE-GFCCVEGCSA-N	271.700	1.067	10	20	CDCD	
C[C@@H]1Cn2nc(C(=O)Nc3ccc(N)cc3)cc2CN1	1335262966	FOBHTQMTCGISQO-SECBINFHSA-N	271.324	1.209	10	20	CDCD	
CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@@H]1F	1347045320	ZMLBILYENJBKEC-NEPJUHHUSA-N	295.310	1.642	10	20	CDCD	
C[C@H]1CN(Cc2c(O)cccc2Cl)C[C@@H](C(=O)O)O1	1607477754	OPMCYZBPBIXAHJ-UFBFGSQYSA-N	285.727	1.720	10	20	CDCD	
Cc1ccc(O)c(CNCc2cccc(-c3nn[nH]n3)n2)c1	1605875889	SXWRSIZPBCSGSK-UHFFFAOYSA-N	296.334	1.566	10	20	CDCD	
CN(C)c1cc(F)c(CN2CC(C(=O)O)C2)cc1F	1604083393	JLQUJPWOCGOFDJ-UHFFFAOYSA-N	270.279	1.547	10	20	CDCD	
COC(=O)[C@@]1(F)CCN(Cc2cc(OC)c(C)cc2O)C1	160338704	NRQGTTBJXKPFDQ-OAHLLOKOSA-N	297.326	1.796	10	20	CDCD	
CCCCS(=O)(=O)NCc1cccc(OC)c1O	151302649	GBUBDGVHXBCTST-UHFFFAOYSA-N	273.354	1.620	10	20	CDCD	
C[C@@H](CC[S@@](C)=O)NCc1cc2c(cc1O)OCO2	125561871	KNYOMDZVZUDCGJ-UGZDLDLSSA-N	285.365	1.368	10	20	CDCD	
COc1cc(Cl)cc(CNC[C@H]2CCCNC2=O)c1O	839195594	LGPRAEVZJVIZDH-SECBINFHSA-N	298.770	1.670	10	20	CDCD	
C[C@H](NCCO[C@H]1CCOC1)c1ccc(F)cc1O	927081795	WGMPAQPUAKFBNB-JQWIXIFHSA-N	269.316	1.987	10	20	CDCD	
COC[C@H](C)NCc1ccc(N2CCOCC2)cc1	20087476	NMGFTHJAAKENHW-ZDUSSCGKSA-N	264.369	1.648	10	20	CDCD	
CC(C)OCCC(=O)NCCc1ccc(N)cc1	236788791	RRJKDJNDAYSUNR-UHFFFAOYSA-N	250.342	1.743	10	20	CDCD	
COC(=O)N1CCN(Cc2cc(F)ccc2O)CC1	387319809	MPDBTAAXWQRFSY-UHFFFAOYSA-N	268.288	1.415	10	20	CDCD	
CCO[C@@H](C)C(=O)NCc1cccc(OC)c1O	105651494	IXYMNSZRTPLPPG-VIFPVBQESA-N	253.298	1.442	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2CC(=O)N(C)C1CC1	175026091	FKVFSXIUOHUCML-UHFFFAOYSA-N	289.379	1.572	10	20	CDCD	
O=C(/C=C/c1cccnc1)N1CCOc2ncccc21	177242820	XQVVLUDVGBJKAK-AATRIKPKSA-N	267.288	1.915	10	20	CDCD	
CC(=O)c1cc(F)cc(CN(C)[C@@H]2CCN(C)C2=O)c1O	79443297	QSLFRBBKLKZMSX-CYBMUJFWSA-N	294.326	1.396	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C1(O)CCC1	186429061	UYNNAXQJHDZCJH-VIFPVBQESA-N	265.309	1.060	10	20	CDCD	
COc1ccc(O)c(CN[C@@H](C)[C@@H]2CCOC2)c1	163297645	YCCPZARVMXMIJQ-WDEREUQCSA-N	251.326	1.915	10	20	CDCD	
Cc1cccc(CN2CC[C@H](OC(=O)N(C)C)C2)c1O	294677567	AXLCUVAATSEJEC-ZDUSSCGKSA-N	278.352	1.973	10	20	CDCD	
COCCOCCN[C@@H](C)c1cc(C(=O)OC)ccc1O	273398447	MOYZPAWONFRXJF-NSHDSACASA-N	297.351	1.492	10	20	CDCD	
COc1ccc(N(C)C[C@H]2CCS(=O)(=O)C2)c(OC)c1	279693087	HWUVCZKWBYXHOW-LLVKDONJSA-N	299.392	1.575	10	20	CDCD	
O=C(NCc1ccccc1O)C1SCCS1	270745102	KVQFTMZCTVRUPU-UHFFFAOYSA-N	255.364	1.815	10	20	CDCD	
CN(C)c1ccc(CN2CC[C@](C)(C(N)=O)C2)cc1	280350249	STQIAAFUKJVVSX-HNNXBMFYSA-N	261.369	1.450	10	20	CDCD	
COCC[C@@H]1COCCN1C(=O)c1ccc(C)c(O)c1O	292062152	CCDNJCMFKAAGCT-LLVKDONJSA-N	295.335	1.284	10	20	CDCD	
CC(C)NC(=O)CCNC(=O)NCc1ccccc1O	299545011	WJUFMUYXNVDTRG-UHFFFAOYSA-N	279.340	1.106	10	20	CDCD	
CO[C@H](C)[C@H](C)N1C(=O)CN(Cc2ccccc2O)C1=O	819168754	CLJOVRWEXQAPQW-WDEREUQCSA-N	292.335	1.580	10	20	CDCD	
COc1cccc(CN2C[C@@H](C)C[C@H](CO)C2)c1O	817412330	IVTSJGNFRZOJHG-RYUDHWBXSA-N	265.353	1.851	10	20	CDCD	
COc1ccc(CNC(=O)[C@@H](C(C)C)[C@@H](C)N)c(O)c1	818000056	DURAFLFDANLFGS-YGRLFVJLSA-N	280.368	1.636	10	20	CDCD	
COc1cccc(CN2CCN(C(=O)C3CC3)CC2)c1O	728299790	QGTXYUFSRTYXBS-UHFFFAOYSA-N	290.363	1.455	10	20	CDCD	
O=C(C[C@H]1CCC(=O)N1)NCCCSc1nccs1	827474670	IWPUTJXLCIFMRB-SECBINFHSA-N	299.421	1.410	10	20	CDCD	
COc1cc(O)c(CNC/C=C\CO)cc1OC	826937364	LUHZZSIEJCRXMG-ARJAWSKDSA-N	253.298	1.048	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1(CN(C)C)CC1	821807242	OXFYISCLLIDUSF-LLVKDONJSA-N	292.379	1.487	10	20	CDCD	
CC[C@H](C)NC(=O)CCNC(=O)c1cc(O)cs1	731870837	ZGORTDMLFPGWGY-QMMMGPOBSA-N	270.354	1.488	10	20	CDCD	
CCOC(=O)C1(C(=O)NCc2ccc(O)cc2O)CC1	910951310	RQKGGCMCAQKYBS-UHFFFAOYSA-N	279.292	1.057	10	20	CDCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NC[C@@H](C)O	840478765	BWOPHADHXHMGOB-QWHCGFSZSA-N	293.411	1.672	10	20	CDCD	
COc1cc(O)c(CN2CCNC[C@@H]2C)cc1OC	843047189	JDPNCDKMHJGBON-JTQLQIEISA-N	266.341	1.203	10	20	CDCD	
CN(C)c1ccc(CNC[C@H](N)C2CC2)cc1F	841049299	JMPQMLYIJAAJOI-ZDUSSCGKSA-N	251.349	1.719	10	20	CDCD	
COC(=O)CNC(=O)[C@H](C)Sc1ncc(Cl)s1	849998362	DYOVBBJEZBFESO-YFKPBYRVSA-N	294.785	1.566	10	20	CDCD	
CC(C)C[C@H](CN)NC(=O)N(C)Cc1ccccc1O	841953588	JSHLPSMRBYQLTL-CYBMUJFWSA-N	279.384	1.907	10	20	CDCD	
O=[N+]([O-])c1ccc(O)c(CNCC[C@]2(O)CCCOC2)c1	846111107	QIWHCHIRSNVZAF-CQSZACIVSA-N	296.323	1.322	10	20	CDCD	
CCN[C@H](C)CNC(=O)N[C@@H](C)c1cc(OC)ccc1O	841988176	ZHSQCQPIGHCEIC-MNOVXSKESA-N	295.383	1.759	10	20	CDCD	
N[C@H](CNCc1ccc(N2CCOCC2)cc1)C1CC1	841049640	MPLURLNEHYFNDV-MRXNPFEDSA-N	275.396	1.350	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N[C@@H]2CC[C@@H](CN)C2)cc1	841655222	QWLPZMYPBUETSV-ZIAGYGMSSA-N	290.411	1.679	10	20	CDCD	
COc1cccc(CN2C[C@@H]3CCC[C@@]3(N)C2)c1O	857226771	ZACXCPIBEHGVTH-SWLSCSKDSA-N	262.353	1.714	10	20	CDCD	
CC[C@](C)(O)C(=O)NCc1ccc(N(C)C)cc1	929405804	QJJBAYGRCSSJAJ-AWEZNQCLSA-N	250.342	1.530	10	20	CDCD	
C[C@@H](NC[C@@H]1COCCO1)c1cc(F)cc(F)c1O	756433162	AFYSJTDYSCALEC-PSASIEDQSA-N	273.279	1.736	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)CN2CCCCC2=O)c1	862759952	NTWFJFUOVKTRHK-UHFFFAOYSA-N	276.336	1.329	10	20	CDCD	
CN(Cc1cc(F)ccc1O)[C@@]1(CO)CCOC1	862426264	BYPDJZKTECXBPB-CYBMUJFWSA-N	255.289	1.115	10	20	CDCD	
CC(=O)C(C)(C)n1cc(COc2ccc(N)cc2)nn1	864642443	PEBJCOOAPRQWGN-UHFFFAOYSA-N	274.324	1.763	10	20	CDCD	
CCN1CCOC[C@H]1C(=O)NCc1ccc(N(C)C)cc1	767162339	ZAOOUJCZVZDNNJ-HNNXBMFYSA-N	291.395	1.090	10	20	CDCD	
COc1ccc(CN[C@H]2CCCNC(=O)C2)c(O)c1	877494388	VRMDMRJVQUVYDE-NSHDSACASA-N	264.325	1.159	10	20	CDCD	
CCN(CC)CCOC(=O)c1ccc(C)c(O)c1O	772068496	GERCDPDRDBKZQN-UHFFFAOYSA-N	267.325	1.905	10	20	CDCD	
C[C@H](NC(=O)c1ccn(C)n1)c1ccc(N(C)C)cc1	775412373	XHXOWUOAEGSRCQ-NSHDSACASA-N	272.352	1.977	10	20	CDCD	
CSC[C@H](CCO)NC(=O)/C=C/c1ccc(O)c(O)c1	779532192	FSYBOVJKGBVBLA-TZNOJPMFSA-N	297.376	1.341	10	20	CDCD	
OCc1nnc(NCc2c(O)cccc2Cl)o1	779518881	HDDYYEDVCZRPIZ-UHFFFAOYSA-N	255.661	1.533	10	20	CDCD	
CC(C)(C)OC(=O)COC(=O)/C=C\c1ccc(O)c(O)c1	772774773	KSQLIDBXKFKYAA-ALCCZGGFSA-N	294.303	1.996	10	20	CDCD	
CCOc1ccc(O)c(CN2C[C@H]3C[C@@]3(CO)C2)c1	783737015	XYYVJVAPGLEEFH-DOMZBBRYSA-N	263.337	1.605	10	20	CDCD	
COC(=O)C(C)(C)CNC(=O)c1cccc(O)c1O	275101554	IVWUHMRTLFBNBC-UHFFFAOYSA-N	267.281	1.027	10	20	CDCD	
COc1ccc(O)c([C@H](C)N[C@@H](C)c2ncnn2C)c1	276525541	CEDRWAYUWNGIRO-UWVGGRQHSA-N	276.340	1.941	10	20	CDCD	
COc1ccc(CN[C@H](C)c2ncnn2C)cc1C	276615476	DPYAZEVONYFDLF-LLVKDONJSA-N	260.341	1.983	10	20	CDCD	
CCOc1cccc(CN[C@@H](C)c2ncnn2C)c1O	276749422	STGLKFFLEVNGGP-JTQLQIEISA-N	276.340	1.770	10	20	CDCD	
C[C@H]1CN(Cc2c(O)ccc(Cl)c2F)CCN1	792156308	AJYVRLAWQPXIFX-QMMMGPOBSA-N	258.724	1.978	10	20	CDCD	
COC[C@H](CO)N[C@H](C)c1cc(F)cc(F)c1O	794835396	JSRQUXKSEQMLJJ-APPZFPTMSA-N	261.268	1.328	10	20	CDCD	
N[C@H]1CC=C(C(=O)N2CCc3ccc(C(=O)O)cc32)C1	695720744	NVOYELCFXODECL-LBPRGKRZSA-N	272.304	1.321	10	20	CDCD	
Nc1ccc(CNC(=O)N2CCSC[C@H]2CCO)cc1	1335724710	JDJONFWQWAXSPI-CYBMUJFWSA-N	295.408	1.278	10	20	CDCD	
CS(=O)(=O)NC[C@H]1CCCN(Cc2ccc(N)cc2)C1	1337834353	QGIVAOVVADRMKL-CYBMUJFWSA-N	297.424	1.030	10	20	CDCD	
COc1ccc(CNC[C@@H](C)N(C)C2CC2)c(O)c1OC	1355252332	KOZIXWAXKXQTOL-LLVKDONJSA-N	294.395	1.982	10	20	CDCD	
O=C(O)c1ccc(C(=O)NCc2ccc(O)c(O)c2)[nH]1	1602323909	NPVYWYVTTQFHGZ-UHFFFAOYSA-N	276.248	1.054	10	20	CDCD	
C[C@H](CC(=O)O)NC(=O)NCc1ccc(N(C)C)c(F)c1	1589001271	JHWZCRWQPVUMLS-SECBINFHSA-N	297.330	1.554	10	20	CDCD	
CCS(=O)(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	151223702	YPBRDLOJEVOSMG-ZDUSSCGKSA-N	299.392	1.723	10	20	CDCD	
COc1ccc(O)c(CNC(=O)NCCCSC)c1	153175610	OWDTWEVOZYVOJI-UHFFFAOYSA-N	284.381	1.953	10	20	CDCD	
CC[C@H](NC(C)=O)C(=O)N[C@H](C)c1ccccc1O	827955657	BXOMPMXTXFARAW-SKDRFNHKSA-N	264.325	1.484	10	20	CDCD	
Cc1ccc(CNCCCN(C)S(C)(=O)=O)c(O)c1	876928527	IAOFAMFGJKEECQ-UHFFFAOYSA-N	286.397	1.072	10	20	CDCD	
OCC[C@@H](NCc1cc(F)cc(F)c1O)C1CC1	883017100	XDVPWPCLYXOGMG-GFCCVEGCSA-N	257.280	1.921	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NCCCS(C)(=O)=O)c1	38047148	CRZZDOOGAPTBOS-SNVBAGLBSA-N	287.381	1.486	10	20	CDCD	
CO[C@H](CNCc1cc2c(cc1O)OCO2)C(C)C	266603640	FNUNQABFCZJLJW-CQSZACIVSA-N	267.325	1.882	10	20	CDCD	
Cc1ccc([C@H](C)N[C@@H]2CCCN(C)C2=O)c(O)c1	704337405	DDXCDMKZVXFMGU-WCQYABFASA-N	262.353	1.972	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NCc2n[nH]c(C)n2)c1	392479046	UKLVLVPZAQFDQN-MRVPVSSYSA-N	262.313	1.678	10	20	CDCD	
CC(=O)c1cc(Cl)cc(CN(C)CC(N)=O)c1O	50133607	MFHLJKFMVBHNIR-UHFFFAOYSA-N	270.716	1.165	10	20	CDCD	
Cc1cc(C)c(O)c(CN2CCS(=O)(=O)C[C@H]2C)c1	178893616	VBKMKLOTYQBUKW-GFCCVEGCSA-N	283.393	1.628	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)[C@H](N)CC	129610793	DDOFSSUYTVGFFC-GFCCVEGCSA-N	250.342	1.868	10	20	CDCD	
CCN(CC)c1ccc(CN2CCNC(=O)[C@@H]2C)cc1	123532387	BYDSAYSXYGIZKO-ZDUSSCGKSA-N	275.396	1.853	10	20	CDCD	
Nc1ccc(CC(=O)NCCCCC(=O)O)cc1	70201391	GHEIXWVJWSPJGA-UHFFFAOYSA-N	250.298	1.182	10	20	CDCD	
C[C@H](NC[C@H]1COC2(CCOCC2)O1)c1ccccc1O	183671755	UWGWSHWAWWLUFN-STQMWFEESA-N	293.363	1.965	10	20	CDCD	
CC(=O)N[C@@H](CC(C)C)C(=O)NCc1ccc(O)c(O)c1	180736645	IYAUZZYMRVLWBV-LBPRGKRZSA-N	294.351	1.265	10	20	CDCD	
C[C@@H]1CCN(Cc2cc(F)ccc2O)CCS1(=O)=O	192049053	VZGMVFZMHLZTEY-SNVBAGLBSA-N	287.356	1.540	10	20	CDCD	
CCN(CC)c1ccc(CN[C@@H](C(=O)OC)[C@H](C)O)cc1	191964122	ZVFWWSCRUNWPRZ-SWLSCSKDSA-N	294.395	1.545	10	20	CDCD	
CCN(CCN1CCOCC1)c1ccc(OC)c(OC)c1	264694093	IAMORPOIVPLFCX-UHFFFAOYSA-N	294.395	1.862	10	20	CDCD	
C[C@@H](CO[C@H]1CCOC1)NC(=O)NCc1ccccc1O	267875804	DGSAAVIFHUVITC-AAEUAGOBSA-N	294.351	1.385	10	20	CDCD	
Nc1ccc(CCNC(=O)C[C@@H]2CCC[C@H]2N)cc1	261965251	LFDFSWFOKACYBC-GXTWGEPZSA-N	261.369	1.445	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NCC2(O)CCN(C)CC2)c1	273585176	NPKJOWHVFUXIFZ-GFCCVEGCSA-N	294.395	1.508	10	20	CDCD	
Cc1ccc(C(=O)NCCCN(C)C(C)C)c(O)c1O	272837623	QUFJCGVDDRCRKC-UHFFFAOYSA-N	280.368	1.866	10	20	CDCD	
Cc1cc(O)c(CN2CCN3C(=O)OC[C@@H]3C2)cc1C	378345147	HMQDISFYERBSBG-ZDUSSCGKSA-N	276.336	1.645	10	20	CDCD	
CN(C[C@@H]1CCCS(=O)(=O)C1)c1ccc2c(c1)OCO2	284074741	LACBGAVPXNAGTE-NSHDSACASA-N	297.376	1.676	10	20	CDCD	
CC[C@@H](NC[C@@H](O)COC)c1ccc(F)cc1O	286036577	KIPDGGXJUWLPTO-ZYHUDNBSSA-N	257.305	1.579	10	20	CDCD	
COC(=O)c1cnc(S[C@@H](C)C(=O)NC2CC2)s1	295151036	FHIGGOYHHUZKTP-LURJTMIESA-N	286.378	1.689	10	20	CDCD	
C[C@@H](N)C[C@@H](C)NCc1ccc(N2CCOCC2)c(F)c1	817888961	QGSOBOSKQWBAOF-CHWSQXEVSA-N	295.402	1.878	10	20	CDCD	
Cc1cc(CN2CCSC[C@H]2C(N)=O)ccc1N(C)C	815080694	IGVJTHVSSFAUIF-AWEZNQCLSA-N	293.436	1.464	10	20	CDCD	
Cn1cc([C@@H]2CN(Cc3ccccc3O)C[C@H]2N)cn1	818431851	VFXRFHRTAVOCBX-UONOGXRCSA-N	272.352	1.052	10	20	CDCD	
O=[N+]([O-])c1ccc(O)c(CNCCCn2cncn2)c1	725844983	DYWXAZVUSVJFDL-UHFFFAOYSA-N	277.284	1.072	10	20	CDCD	
C[C@@H](CC(=O)O)C(=O)N1CCOc2cc(N(C)C)ccc21	827263289	OWDVZNRQLMTRIR-JTQLQIEISA-N	292.335	1.589	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@H]2CCCN2C=O)cc1F	824669873	ROBJFCDCJHRVDO-AWEZNQCLSA-N	293.342	1.129	10	20	CDCD	
COC(=O)C1(C)CN(Cc2cc(OC)c(OC)cc2O)C1	822534844	YNMDFDFNNRKYMG-UHFFFAOYSA-N	295.335	1.404	10	20	CDCD	
CN(C)c1ccc(CNC(=O)C[C@@H]2CCC(=O)N2)cc1F	824668983	AVKLLHPYELUIFT-NSHDSACASA-N	293.342	1.177	10	20	CDCD	
COc1ccc(O)c(CNC(=O)NC[C@H]2CC[C@H](C)O2)c1	838475192	YKSGRTLPEIGTDC-GXFFZTMASA-N	294.351	1.768	10	20	CDCD	
COCCNC(=O)C1(NCc2cccc(C)c2O)CC1	839191770	FCIMXDFZMNYHFR-UHFFFAOYSA-N	278.352	1.085	10	20	CDCD	
CCN1CCC(CNC(=O)c2cc(O)cs2)CC1	732275642	FVXHKQVTJBDZHV-UHFFFAOYSA-N	268.382	1.915	10	20	CDCD	
CCC(=O)N[C@@H](C)C(=O)NCc1ccc(N(C)C)cc1	915260193	VEQPNFLQGZLOGL-NSHDSACASA-N	277.368	1.284	10	20	CDCD	
CCOC(=O)[C@H](CC)C(=O)NCc1cccc(OC)c1O	839633864	XJOMNTVWWYWCCN-LLVKDONJSA-N	295.335	1.606	10	20	CDCD	
C[C@@H](C(=O)NC(C)(C)C)N(C)C(=O)Cc1ccc(N)cc1	832070785	DMTRIKXEVXEIQX-NSHDSACASA-N	291.395	1.573	10	20	CDCD	
CCC(CC)NC(=O)C(=O)NCCc1ccc(N)cc1	842193460	OCRDDTOQRSFKCO-UHFFFAOYSA-N	277.368	1.232	10	20	CDCD	
Cc1noc(C)c1N(C)C(=O)/C=C/c1cnn(C)c1	747877173	QCCFQWFAPWQFJC-AATRIKPKSA-N	260.297	1.701	10	20	CDCD	
COc1ccc(CNC(=O)NC[C@@H](N)C(C)C)c(O)c1	841943894	PYNJYZCYCALGQB-GFCCVEGCSA-N	281.356	1.183	10	20	CDCD	
CC[C@@H](NC(=O)NCCc1ccc(N)cc1)[C@@H](C)O	841955670	JLXHSCYKGLWUHH-ZWNOBZJWSA-N	265.357	1.270	10	20	CDCD	
COc1cc(O)c(CN2CCNCC2(C)C)cc1OC	843054648	ZCMXFMUHUMGDFH-UHFFFAOYSA-N	280.368	1.593	10	20	CDCD	
COc1cccc([C@@H](C)NCc2ccn(C)n2)c1O	846158087	SBYGJYYYBYJLSY-SNVBAGLBSA-N	261.325	1.985	10	20	CDCD	
COc1cccc([C@@H](C)NC[C@@H]2CN(C)CCN2C)c1O	846146642	RTLRMCAUKUKLPZ-CHWSQXEVSA-N	293.411	1.297	10	20	CDCD	
CCCNCCNC(=O)N[C@H](C)c1cc(OC)ccc1O	841962147	WZPNAACIDZQRDP-LLVKDONJSA-N	295.383	1.761	10	20	CDCD	
CCN1CC[C@@H](N2CCOc3cc(N(C)C)ccc32)C1=O	851880612	DZKKQFIOIHSRPB-CQSZACIVSA-N	289.379	1.572	10	20	CDCD	
NC(=O)[C@@H](NCc1ccc2c(c1)CCCO2)c1ccccn1	922153354	RJOWNVIMBWXIBE-INIZCTEOSA-N	297.358	1.723	10	20	CDCD	
CCCN(CC(=O)OCC)C(=O)c1cc(O)cs1	757908266	MFDFEFTYMJKGEG-UHFFFAOYSA-N	271.338	1.869	10	20	CDCD	
Cc1ccc([C@@H](C)NCc2nc(O)cc(CN)n2)c(O)c1	854232644	QJJYAWXQJDKCEG-SNVBAGLBSA-N	288.351	1.506	10	20	CDCD	
CN(C)c1cc(F)c(CNc2ncn(C)n2)cc1F	865293068	YBHBYJDWEURTIX-UHFFFAOYSA-N	267.283	1.771	10	20	CDCD	
CCOc1ccc(CN2CCNC(=O)[C@@H]2CC)c(O)c1	769319841	AAZPBWVCFOMRCI-ZDUSSCGKSA-N	278.352	1.501	10	20	CDCD	
COC1CC(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)C1	860693864	GISZOONTUJAUNF-OIKLOGQESA-N	279.336	1.570	10	20	CDCD	
COc1cccc(O)c1CN1CCC[C@@H]([C@@H](C)O)C1	768519562	QXBRVPPHGBBUSX-VXGBXAGGSA-N	265.353	1.994	10	20	CDCD	
CC(C)(C(N)=O)C(=O)NCc1c(O)ccc2c1CCCC2	768083626	YMLAACKQJCQJAR-UHFFFAOYSA-N	290.363	1.399	10	20	CDCD	
CN1CCCc2cc(CNC(=O)[C@]3(N)CC3(F)F)ccc21	870875860	MBACEDSAFHHANW-CQSZACIVSA-N	295.333	1.422	10	20	CDCD	
Cc1cccc(O)c1CNCCN1CCOC[C@@H]1C	877150067	LJBLJHXGAFNSNN-ZDUSSCGKSA-N	264.369	1.511	10	20	CDCD	
C[C@H](Nc1nccn2nnnc12)c1ccc(N(C)C)cc1	772299046	VRMORZSPXCJUNC-JTQLQIEISA-N	283.339	1.758	10	20	CDCD	
COc1cccc(O)c1CN1CCOC2(CCOCC2)C1	770292669	OCYZPBLEMVEMQO-UHFFFAOYSA-N	293.363	1.782	10	20	CDCD	
C[C@@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)CC[C@H]1O	778261009	PYFYHZBQWWPVKL-IUODEOHRSA-N	291.395	1.665	10	20	CDCD	
COc1ccc(CNCCN2CCCC2=O)c(O)c1OC	895175309	KRHZHFXOVSGESQ-UHFFFAOYSA-N	294.351	1.121	10	20	CDCD	
C[C@@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)CCN1	222184854	YMRQZOXSPGFXQR-GFCCVEGCSA-N	276.384	1.256	10	20	CDCD	
COC[C@@H]1CN(Cc2cc(F)cc(F)c2O)C[C@@H](C)O1	894531909	BFVQLMULHAPFGF-SKDRFNHKSA-N	287.306	1.906	10	20	CDCD	
COc1cc(C)cc(CN(CCO)CC2CC2)c1O	893976264	PWJAYDRVSPIOCZ-UHFFFAOYSA-N	265.353	1.914	10	20	CDCD	
CC(C)N1CCC(NC(=O)c2cccc(O)c2O)CC1	186807757	OAPQMHGOPWBBQX-UHFFFAOYSA-N	278.352	1.700	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)c1cccc(O)c1	193987405	KWLBVRCVGDRICG-UHFFFAOYSA-N	273.288	1.776	10	20	CDCD	
COC(=O)[C@@H]1[C@H]2CN(Cc3cc(OC)c(C)cc3O)C[C@H]21	793653927	JTEUETGAKGBBGI-JYAVWHMHSA-N	291.347	1.560	10	20	CDCD	
CCc1c(-c2ccncc2)n[nH]c1NC(=O)C1=S=NC=C1	1143792513	GHMXIMOVNRHSRW-UHFFFAOYSA-N	299.359	1.939	10	20	CDCD	
COc1cccc(O)c1CN1C[C@@H]2CN(C)C[C@@H]2C1	787307361	VEHOZCZOBTXZQB-TXEJJXNPSA-N	262.353	1.394	10	20	CDCD	
Cc1cccc(CNCC2(S(C)(=O)=O)CCC2)c1O	793279780	IHFOOPPGVHTUQF-UHFFFAOYSA-N	283.393	1.758	10	20	CDCD	
CCNCCCNC(=O)N1Cc2cccc(O)c2C1	1332531107	BROIUPCUNSLERN-UHFFFAOYSA-N	263.341	1.417	10	20	CDCD	
Nc1ccc(CNC(=O)N2CCC[C@@H](CCO)C2)cc1	1357791737	OZOQBXILVMTPFE-ZDUSSCGKSA-N	277.368	1.573	10	20	CDCD	
Cc1cc(O)c(CN2CCC[C@H](O)[C@@H]2C(=O)O)cc1Cl	1607699152	HKXDXZASFRMJJA-WCQYABFASA-N	299.754	1.764	10	20	CDCD	
O=C(O)c1cnc(SC[C@@H](O)C2(O)CCCC2)s1	1602536969	JAGISJIIKMXHDW-MRVPVSSYSA-N	289.378	1.599	10	20	CDCD	
C[C@@H](NC[C@H]1CCCO1)c1cc(C(=O)O)ccc1O	1593256440	HRGMCHYRIOBDRH-MWLCHTKSSA-N	265.309	1.920	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)CC[C@@H]1CCNC1	134524622	POLNXYLAJIXXLX-GFCCVEGCSA-N	262.353	1.740	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)c1[nH]nc2c1CCCC2	158946176	VTDGZLYKIMNDNX-UHFFFAOYSA-N	287.319	1.630	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)CC(=O)OC	906427884	LRJUKEQGTNKHSL-UHFFFAOYSA-N	278.352	1.664	10	20	CDCD	
CCOc1cccc(CN[C@@H](C)[C@H](CO)SC)c1O	152486836	AIPRDVJCJDGSGZ-GWCFXTLKSA-N	285.409	1.993	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@H]2CCC[C@@H](N)C2)cc1	70577459	CEBYSDILFHCGAC-UONOGXRCSA-N	275.396	1.886	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CNCC(F)(F)F)cc1	70975083	JEJUTASVORZNNH-UHFFFAOYSA-N	289.301	1.521	10	20	CDCD	
CN(C(=O)C[C@@H]1CCS(=O)(=O)C1)c1ccc(N)cc1	702126331	NRJTUFAWIWLDOE-JTQLQIEISA-N	282.365	1.056	10	20	CDCD	
CS[C@@H](CO)[C@@H](C)NCc1cc(F)cc(F)c1O	708466699	ULWADCKMFUTUNN-HQJQHLMTSA-N	277.336	1.872	10	20	CDCD	
CCCOc1ccc(CN2CCNC(=O)[C@H]2C)c(O)c1	123498166	AXJUFHKTXOEPJK-LLVKDONJSA-N	278.352	1.501	10	20	CDCD	
Cc1ccc(C(=O)N2CCC[C@H]2C[C@@H](C)O)c(O)c1O	182893991	AHNBTKFYPLFCAL-MNOVXSKESA-N	279.336	1.782	10	20	CDCD	
CCOc1cccc(CN[C@@H](C)C(=O)N2CCCC2)c1O	134589364	BARPMMCDPSKMQR-LBPRGKRZSA-N	292.379	1.891	10	20	CDCD	
CNC[C@H]1CCCN1Cc1cc(OC)ccc1O	133064414	DQARJXUDBGXNCF-GFCCVEGCSA-N	250.342	1.585	10	20	CDCD	
COc1cccc(CN2CC[C@H](C)S(=O)(=O)CC2)c1O	192049143	GRVOOXULINGYAG-NSHDSACASA-N	299.392	1.410	10	20	CDCD	
CN(C)c1ccc(CN2CCOC[C@@]23CCOC3)cc1	193691581	SGXPUQGLBVMBHV-INIZCTEOSA-N	276.380	1.744	10	20	CDCD	
CCCOc1ccc([C@@H]2NC(=O)[C@@H]3COCCN32)c(O)c1	93884780	RLGNEYMROWSZJY-GXTWGEPZSA-N	292.335	1.010	10	20	CDCD	
C[C@H](NCCCS(C)(=O)=O)c1cc(F)ccc1O	94617773	IHRNYISFHHXZJQ-VIFPVBQESA-N	275.345	1.617	10	20	CDCD	
Nc1ccc(CCNC(=O)C2(N)CCCCC2)cc1	262435689	LLJIJQVIHNKZPH-UHFFFAOYSA-N	261.369	1.589	10	20	CDCD	
COc1ccc(O)c(CN2CCOC[C@H]2c2ncon2)c1	369840430	LXZPKYADZJXDDW-LBPRGKRZSA-N	291.307	1.357	10	20	CDCD	
O=C(NC1CCSCC1)c1c(F)ccc(O)c1O	277598089	GQGXWZOMRHYSKM-UHFFFAOYSA-N	271.313	1.862	10	20	CDCD	
OCC[C@@]1(NCc2ccc3c(c2)CCO3)CCOC1	278500580	NUDPOOMFZAIGHX-OAHLLOKOSA-N	263.337	1.253	10	20	CDCD	
Cc1ccc([C@H](C)NCc2nncn2C)c(O)c1C	273403637	NVLRDKXPWYICJI-NSHDSACASA-N	260.341	1.988	10	20	CDCD	
COC(=O)N1CC(N[C@H](C)c2cc([N+](=O)[O-])ccc2O)C1	273528113	VUMKLJYXCFZOLJ-MRVPVSSYSA-N	295.295	1.402	10	20	CDCD	
O=C1C[C@@H](N[C@@H]2CCc3cccc(O)c32)CN1C1CC1	296785679	KWTUHXGNJCPQPS-DGCLKSJQSA-N	272.348	1.732	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)Cc2cncn2C)c1	806794080	WZDGWKWQYNPAGX-JTQLQIEISA-N	289.335	1.554	10	20	CDCD	
COC(=O)C(C)(C)CCNC(=O)c1c(F)ccc(O)c1O	295249269	KGGXGGJZPBSFLY-UHFFFAOYSA-N	299.298	1.556	10	20	CDCD	
C[C@H]1C[C@@H](NC(=O)c2c(F)ccc(O)c2O)CCO1	297641992	XWGHSVLQWBQSPU-YUMQZZPRSA-N	269.272	1.534	10	20	CDCD	
C[C@H]1C[C@@H](C)O[C@H]1C(=O)NCCc1ccc(N)cc1	818545181	NEPHWVOEEIHMKM-MISXGVKJSA-N	262.353	1.741	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)NCCC(=O)O	818473519	PUHCWZQEVGAEIL-UHFFFAOYSA-N	279.340	1.369	10	20	CDCD	
OCCCN1CCC[C@H]1CNCc1cc(F)ccc1O	824563997	FDIKVFKMPJXERU-AWEZNQCLSA-N	282.359	1.468	10	20	CDCD	
CC[C@@H](C)N(C)CCNC(=O)c1cc(O)cs1	732284380	RQYWWMRYFQVQTO-SECBINFHSA-N	256.371	1.914	10	20	CDCD	
CC(C)NC(=O)CN(C)C(=O)c1cc(O)cs1	732258313	RSRABZQECWLAKY-UHFFFAOYSA-N	256.327	1.050	10	20	CDCD	
Cc1ccc(C(=O)OCCCCC(=O)O)c(O)c1O	738257975	KRQIOUKTOCSUEY-UHFFFAOYSA-N	268.265	1.818	10	20	CDCD	
COc1ccc(CNC(=O)NC[C@@H]2CC[C@H](C)O2)c(O)c1	838743260	XCQBJNOBNIYSKD-GWCFXTLKSA-N	294.351	1.768	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H]1CCC[C@@H]1CCO	588531971	FFLYPUCKLZCSGH-WFMXKNRHSA-N	291.347	1.778	10	20	CDCD	
COc1cccc(CNC(=O)[C@@H](C(=O)O)C(C)C)c1O	911337530	UVRBAHHWZZNYJI-NSHDSACASA-N	281.308	1.374	10	20	CDCD	
COC[C@H]1CN(Cc2ccc(N(C)C)cc2C)CCO1	840916589	BQGJZSUHSFYPJO-MRXNPFEDSA-N	278.396	1.908	10	20	CDCD	
CCO/C=C\C(=O)N1CCN(c2ccc(OC)cc2)CC1	841005356	ORQQZLVTCDIYOF-JYRVWZFOSA-N	290.363	1.894	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)C2(N)CC2)c1	843490039	WAEUWMGGDXKMQS-MRVPVSSYSA-N	250.298	1.069	10	20	CDCD	
NC[C@@H]1CN(Cc2ccccc2O)CC12CCOCC2	843124893	KJBBGJLNEWKGMJ-CQSZACIVSA-N	276.380	1.580	10	20	CDCD	
Nc1ccc(Cc2noc(CN3CCOCC3)n2)cc1	843162304	VXSPAZXWQSTDLF-UHFFFAOYSA-N	274.324	1.075	10	20	CDCD	
Cc1cc(CN(C)c2ccc(OCC(=O)O)cc2)ncn1	846280181	UGVAUMJSGIDHFH-UHFFFAOYSA-N	287.319	1.885	10	20	CDCD	
C[C@H](Cn1cccn1)NC[C@@H](N)c1ccc(N(C)C)cc1	841045178	JAVQCRHSFDYDCT-CZUORRHYSA-N	287.411	1.627	10	20	CDCD	
CC[C@@H](C)NC(=O)[C@H](C)NC(=O)Nc1ccc(N)cc1	841301765	YJUXKWUEOVUTQO-ZJUUUORDSA-N	278.356	1.694	10	20	CDCD	
CCOc1ccc(CNCC[C@]2(O)CCCOC2)c(O)c1	846111820	VZMFNPIEYYSUFZ-MRXNPFEDSA-N	295.379	1.812	10	20	CDCD	
COc1ccc(N(C)C[C@@H](O)COC2CCOCC2)cc1	844353162	PQFSDPGOQITBSB-CQSZACIVSA-N	295.379	1.688	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)NCCn2cccn2)c1	756682905	BAZKCTPPWUMTGA-LLVKDONJSA-N	289.335	1.726	10	20	CDCD	
CC(=O)OC1CCN(C(=O)c2cc(O)cs2)CC1	753831630	VVCDGXDGTZFGCF-UHFFFAOYSA-N	269.322	1.621	10	20	CDCD	
CCN(C)C(=O)[C@H](C)NCc1cc(F)c(N(C)C)cc1F	858159752	FAWABAVYYXVZGK-JTQLQIEISA-N	299.365	1.987	10	20	CDCD	
CO[C@H](CNC(=O)NCc1cc(C)ccc1O)C1CC1	858492849	VTCPNTXLYSDLNP-CQSZACIVSA-N	278.352	1.925	10	20	CDCD	
CN1CCC(NC(=S)N(C)Cc2ccccc2O)CC1	920310421	FVNLNXVMWXRFIB-UHFFFAOYSA-N	293.436	1.793	10	20	CDCD	
Cc1ccc(C(=O)NCCO[C@H]2CCCCO2)c(O)c1O	854551083	CDIYHKAHDCBWFK-LBPRGKRZSA-N	295.335	1.679	10	20	CDCD	
Cc1cc(O)c(CNC[C@]2(O)CCN(C)C2)cc1C	762570249	ZPGFBVYLVCVVNY-OAHLLOKOSA-N	264.369	1.165	10	20	CDCD	
CCc1nn(C)cc1C(=O)NCc1cc(C)ccc1O	862757957	JYGPUIKTFCNLHA-UHFFFAOYSA-N	273.336	1.927	10	20	CDCD	
CC[C@@H](CO)C(=O)NCc1ccc(N(C)C)c(F)c1	779750432	BZJJUKJFZZVMMH-NSHDSACASA-N	268.332	1.526	10	20	CDCD	
CO[C@@H]1CCN(C(=O)c2cc(O)cs2)C[C@H]1C	1118704295	AKTGCKVQFGQING-PSASIEDQSA-N	255.339	1.951	10	20	CDCD	
C[C@@H](NCC(=O)NCC1CCC1)c1ccccc1O	879648673	YVHOJHOTWAZPDD-LLVKDONJSA-N	262.353	1.959	10	20	CDCD	
OCC1(CO)CCN(Cc2cc(Cl)ccc2O)CC1	877798033	VHHPVKGVXVMEFG-UHFFFAOYSA-N	285.771	1.612	10	20	CDCD	
CCNC(=O)[C@H](C)N[C@@H](C)c1c(O)cccc1F	886491925	WOZMFMDFCBFKNL-IUCAKERBSA-N	254.305	1.707	10	20	CDCD	
CC(C)OCC(=O)OCC(=O)c1ccc(O)c(O)c1	783198110	HEEWZOGAWKCFIM-UHFFFAOYSA-N	268.265	1.249	10	20	CDCD	
C[C@@H](NC(=O)NCc1ccccc1O)C1=CCN(C)CC1	781370301	IJKBJPAKJIUBMS-GFCCVEGCSA-N	289.379	1.842	10	20	CDCD	
O=C(COC(=O)c1ccncc1F)c1ccc(O)c(O)c1	783830708	SPSWWCYWYGZELA-UHFFFAOYSA-N	291.234	1.672	10	20	CDCD	
COC(=O)[C@@H](NCc1cc2c(cc1O)OCO2)C1CC1	789573226	HNYKXPZICPCRHI-ZDUSSCGKSA-N	279.292	1.162	10	20	CDCD	
C[C@H]1C[C@@H](O)CN1Cc1ccc(N(C)C)c(F)c1	788270859	UPYKLCCRVYYTIV-CMPLNLGQSA-N	252.333	1.847	10	20	CDCD	
COc1ccc(CNCc2cocn2)c(O)c1OC	892976324	CTFXIWLADNKRMQ-UHFFFAOYSA-N	264.281	1.687	10	20	CDCD	
COc1ccc(CN2CC[C@@](C)(C(N)=O)C2)c(O)c1OC	894184874	LZJDKLWRFFNCIL-OAHLLOKOSA-N	294.351	1.107	10	20	CDCD	
COc1ccc(CN(C)Cc2cn(C)nn2)c(O)c1OC	895387526	FSQDXDPXSKIGKN-UHFFFAOYSA-N	292.339	1.170	10	20	CDCD	
CS(=O)(=O)C1(CNCc2ccccc2O)CCC1	279675429	IHTBJAFRZZWQBF-UHFFFAOYSA-N	269.366	1.449	10	20	CDCD	
COc1cc(C)cc(CN2CC(=O)N(C)C[C@H]2C)c1O	894535971	ZUGIZOZLEYGLGM-LLVKDONJSA-N	278.352	1.372	10	20	CDCD	
COc1ccc(O)c(CNC[C@H]2CC(C)=NO2)c1	895307977	VTPRUNSIGGFRHW-GFCCVEGCSA-N	250.298	1.655	10	20	CDCD	
CC[C@@H](NC(=O)c1cccc(O)c1O)C(=O)OC(C)(C)C	790895784	LDIFGGXIULJKDD-SNVBAGLBSA-N	295.335	1.948	10	20	CDCD	
COC[C@H](CO)N[C@@H](C)c1cc(F)cc(F)c1O	794835401	JSRQUXKSEQMLJJ-CBAPKCEASA-N	261.268	1.328	10	20	CDCD	
COc1ccc(CNC(=O)c2c(C)nn(C)c2C)c(O)c1	794378362	FCSFAOBMFMPNAH-UHFFFAOYSA-N	289.335	1.681	10	20	CDCD	
Cc1cc(N2CC=C(CCNC(=O)C3CC3)CC2)ncn1	1089803889	WPPFPJDLLZRGEK-UHFFFAOYSA-N	286.379	1.838	10	20	CDCD	
O=C(O)[C@@H](CC(F)F)NCc1cc(F)cc(F)c1O	1334056036	NLZHZPMUYSCUAB-MRVPVSSYSA-N	281.205	1.868	10	20	CDCD	
CC[C@@H](F)C(=O)NCc1ccc(N2CCN(C)CC2)cc1	1337504027	WBZDWKUWQAFVOM-OAHLLOKOSA-N	293.386	1.803	10	20	CDCD	
CC[C@@H]1CN(C(=O)NCc2ccc(N)cc2)[C@H](C)CO1	1337019740	UHVDRDYIFMPTFQ-BXUZGUMPSA-N	277.368	1.978	10	20	CDCD	
CCN(C(=O)NCc1ccc(N(C)C)cc1)[C@@H]1CCNC1	1334160791	GVGJCBDZPWSUCI-OAHLLOKOSA-N	290.411	1.646	10	20	CDCD	
Nc1ccc(CNC(=O)c2ccc(N3CCCC3)nn2)cc1	1342699322	KPKGSUKKLQWBIY-UHFFFAOYSA-N	297.362	1.589	10	20	CDCD	
CCN1CCC[C@@H](CNC(=O)c2cccc(O)c2O)C1	1344109545	LZPQRCFBLBTJHV-NSHDSACASA-N	278.352	1.560	10	20	CDCD	
C[C@H](CN1CCOCC1)N(C)Cc1ccc(N)cc1	1352788124	CSVRJRPPMGCMGH-CYBMUJFWSA-N	263.385	1.421	10	20	CDCD	
C[C@@H]1O[C@H](C)[C@@H](C(=O)NCc2cccc(O)c2O)[C@H]1C	1520508646	IGDBAXDHJLRARS-XHSYRHOGSA-N	279.336	1.774	10	20	CDCD	
CCN(C(=O)c1ccc(C)c(O)c1O)[C@@H](C)C(=O)O	1603714750	UEVZSODEDOOPNP-QMMMGPOBSA-N	267.281	1.341	10	20	CDCD	
CC(C)CNC(=O)CN[C@H](C)c1cc(C(=O)O)ccc1O	1603817404	YLPJILOXZAMXBS-SNVBAGLBSA-N	294.351	1.513	10	20	CDCD	
COc1cc(C)c(CN[C@@H]2CCCN[C@@H]2C)c(O)c1	1579144711	MTYUOEKCYOQMND-BXUZGUMPSA-N	264.369	1.939	10	20	CDCD	
CC[C@H]1CN(Cc2cccc(OC)c2O)CC[C@@H]1N	122385906	GVYCIIRBVMDGLD-AAEUAGOBSA-N	264.369	1.960	10	20	CDCD	
COc1cccc(O)c1CNCc1cc(C(=O)O)co1	1599680169	DNRRDWCTJUDGKS-UHFFFAOYSA-N	277.276	1.982	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1(C(=O)O)CC1	1592884011	YFBFSJWANKLQLO-MRVPVSSYSA-N	279.292	1.010	10	20	CDCD	
CCN1CCc2cc(CNC[C@@H](C)C(=O)O)ccc21	1776877405	BGENPMKOHJGTLC-LLVKDONJSA-N	262.353	1.879	10	20	CDCD	
O=C(/C=C/C1CCOCC1)NCCc1ccc(O)c(O)c1	158043158	BZJQSLYHDFOPQD-DUXPYHPUSA-N	291.347	1.739	10	20	CDCD	
CCC[C@@H]1C(=O)NCCN1Cc1cc(OC)c(C)cc1O	160523423	GHXFFICWXBRESY-CYBMUJFWSA-N	292.379	1.810	10	20	CDCD	
COc1ccc(N2CCCN(CC[S@](C)=O)CC2)cc1	827467967	IIGYAOKGIRREJW-FQEVSTJZSA-N	296.436	1.586	10	20	CDCD	
C[C@@H](O)[C@@H](CO)NCc1ccc(N2CCCC2)cc1	1117980541	JMCZTXHWMXLIMG-IUODEOHRSA-N	264.369	1.118	10	20	CDCD	
Cc1cccc(CNCC(C)(C)N2CCOCC2)c1O	158076220	YSPXXWQOQOMUPV-UHFFFAOYSA-N	278.396	1.901	10	20	CDCD	
C[C@@H](NC[C@@H](O)CN(C)C)c1ccc(F)cc1O	717368892	ULRXMHIKVKZHEE-MWLCHTKSSA-N	256.321	1.104	10	20	CDCD	
CO[C@@H]1COC[C@H]1N[C@@H](C)c1cc(C)ccc1O	842913305	ZEMAVTXOHHCWRO-ZKYQVNSYSA-N	251.326	1.765	10	20	CDCD	
Cc1ccc(C(=O)NCc2nncn2C(C)C)c(O)c1O	179482170	KESROCMDUTWBBB-UHFFFAOYSA-N	290.323	1.509	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CCCN1C	115489528	BPOXTQOBTNFGKA-OAHLLOKOSA-N	275.396	1.771	10	20	CDCD	
COc1ccc(O)c([C@@H](C)N[C@@H](C)CN2CCOCC2)c1	36933063	PBIGFZKVTDMASS-QWHCGFSZSA-N	294.395	1.772	10	20	CDCD	
COc1ccc(C=C2C(=O)N(C)C(=O)N(C)C2=O)s1	121691010	UGRHPILLYABZMO-UHFFFAOYSA-N	280.305	1.191	10	20	CDCD	
OCC1(NCc2cc3c(cc2O)OCO3)CCC1	133163831	XSJPJIPWRWTBIJ-UHFFFAOYSA-N	251.282	1.126	10	20	CDCD	
NC(=O)Cc1ccc(NC(=O)c2cccc(O)c2O)cc1	192983491	FRVWFQFCJBAXPN-UHFFFAOYSA-N	286.287	1.378	10	20	CDCD	
CCN1CCN(Cc2cc3c(cc2O)OCO3)[C@@H](C)C1	289938927	YELJUWFWGKFCFN-NSHDSACASA-N	278.352	1.647	10	20	CDCD	
CO[C@H](C)C(=O)NCc1ccc(N2CCOCC2)cc1	49094337	NMJZZVLRNMXOJK-GFCCVEGCSA-N	278.352	1.174	10	20	CDCD	
COc1ccc(O)c(CN2CCC(OCCCN)CC2)c1	94070540	GSSLRYIMQZAEDN-UHFFFAOYSA-N	294.395	1.731	10	20	CDCD	
COc1cc(N(C)CCn2cncn2)cc(OC)c1OC	266004831	PFUUWQDBZXDZQY-UHFFFAOYSA-N	292.339	1.440	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N2CCC[C@@H]2CO)cc1F	265442345	LDICQIKTAOQBDK-GFCCVEGCSA-N	295.358	1.558	10	20	CDCD	
CCOC[C@@H]1CN(Cc2cc(OC)c(C)cc2O)CCO1	530106010	KCKRBJJZKWJJBA-AWEZNQCLSA-N	295.379	1.947	10	20	CDCD	
COC[C@@H](CN[C@@H](C)c1cc([N+](=O)[O-])ccc1O)OC	273423952	JWWCMUKNBGIESB-GXSJLCMTSA-N	284.312	1.612	10	20	CDCD	
c1cc(N2CCOCC2)ccc1CN1CCCOCC1	374324495	MOGVEPFSBJLTQH-UHFFFAOYSA-N	276.380	1.746	10	20	CDCD	
C[C@H](NCc1ccc(N(C)C)c(F)c1)C1CNC1	817901403	UYCZABSYDBMYCW-JTQLQIEISA-N	251.349	1.589	10	20	CDCD	
COC(=O)[C@@H]1[C@H]2CN(Cc3cc(F)ccc3O)C[C@H]21	814173715	ONCMHSMJFBRHKB-PJXYFTJBSA-N	265.284	1.382	10	20	CDCD	
CN1CC[C@H](C(=O)NCc2ccc(N(C)C)c(F)c2)C1	729528932	LSSZIDWBDAZMLM-LBPRGKRZSA-N	279.359	1.460	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)[C@H](O)C2CC2)cc1	822607592	LCNFFNKDMYIUBH-OAHLLOKOSA-N	276.380	1.920	10	20	CDCD	
CCC(=O)N[C@H](C)C(=O)N[C@@H](C)c1cc(OC)ccc1O	728977767	COIHICPKHYRTBV-VHSXEESVSA-N	294.351	1.493	10	20	CDCD	
O=C(c1c(F)ccc(O)c1O)N1CC[C@H]([C@H]2CCOC2)C1	827209441	ZQTNHIQFIRMUOK-UWVGGRQHSA-N	295.310	1.736	10	20	CDCD	
COC(=O)[C@@H](NC(=O)c1cc(O)cs1)C(C)C	735518590	VLAWUTWXQBJKGP-VIFPVBQESA-N	257.311	1.381	10	20	CDCD	
O=C(O)CN(C(=O)/C=C/c1cnccn1)c1ccccc1	492206786	GNQVMPFUGPHUME-VOTSOKGWSA-N	283.287	1.608	10	20	CDCD	
O=C(NCc1nnc2n1CCCC2)c1cc(O)cs1	732272277	BRQPWXAKPJHJBT-UHFFFAOYSA-N	278.337	1.312	10	20	CDCD	
Nc1ccc(CC(=O)N2CCC[C@@H]2c2cc[nH]n2)cc1	832009108	UVVZFLWUSDUUEU-CQSZACIVSA-N	270.336	1.898	10	20	CDCD	
C[C@H](NC(=O)Cc1ccc(N)cc1)[C@@H](O)Cc1ccccc1	831425880	HQRUZNLJJBXHSM-GUYCJALGSA-N	298.386	1.920	10	20	CDCD	
O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(C(=O)O)[nH]1	833358887	ZOGBETJVKKSISZ-FLIBITNWSA-N	297.270	1.174	10	20	CDCD	
COc1ccc(O)c(CNC(=O)COC2CCOCC2)c1	735330740	JLQDKVUUUNVZQX-UHFFFAOYSA-N	295.335	1.213	10	20	CDCD	
C[C@H]1C[C@H]1C(=O)OCC(=O)c1ccc(O)c(O)c1	916589989	ROLPAKWHRKQUCP-IONNQARKSA-N	250.250	1.480	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)NCC1CCNCC1	841923510	JMIKOSLUYCXCQK-UHFFFAOYSA-N	277.368	1.533	10	20	CDCD	
COc1ccc(N2CCN(c3ncnn3C)CC2)cc1F	846753291	KTHLXWNWDGETHX-UHFFFAOYSA-N	291.330	1.289	10	20	CDCD	
CCOc1ccc(CN[C@@H](CO)[C@@H]2CCCOC2)c(O)c1	840962713	MYNILTUHVCGEPW-HIFRSBDPSA-N	295.379	1.668	10	20	CDCD	
CCOc1ccc(O)c(CN[C@@H](CN)C2CC2)c1	841028351	PAIOYNCOAAZGTH-ZDUSSCGKSA-N	250.342	1.618	10	20	CDCD	
COCOCCCNC(=O)/C=C\c1ccc(O)c(O)c1	848169067	XFEDGUCHZOXONL-XQRVVYSFSA-N	281.308	1.238	10	20	CDCD	
O=C(NCc1ccccc1O)C(=O)Nc1cccc(F)c1	748486803	WCFZVMJQUJWJCS-UHFFFAOYSA-N	288.278	1.786	10	20	CDCD	
COC(=O)[C@@H](C)NCc1ccc(N(C)C)cc1C	840941431	WZHBOCOYANJRBP-LLVKDONJSA-N	250.342	1.712	10	20	CDCD	
CN(C)c1ccc(CN[C@H]2CCc3c(nnn3C)C2)cc1	848566871	LFQGMWZBKVKURL-ZDUSSCGKSA-N	285.395	1.528	10	20	CDCD	
COc1cccc([C@@H](C)NCCn2cccn2)c1O	846147241	TWJGVYCNVYMXAM-LLVKDONJSA-N	261.325	1.948	10	20	CDCD	
C[C@H](N)[C@H]1CCCCN1C(=O)NCCc1ccc(N)cc1	841955609	HYNVIMLIVJIVJE-SWLSCSKDSA-N	290.411	1.723	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2cnc3n2CCC3)cc1	854271408	FVPBUBJBFZXRBR-UHFFFAOYSA-N	284.363	1.825	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)NC/C=C\CO)cc1	853457857	XVVGTEILPIVVRU-WAYWQWQTSA-N	291.395	1.881	10	20	CDCD	
CN(C(=O)/C=C/c1ccc(O)c(O)c1)C1(CO)CC1	854436344	XTHJTJYVAYLRNT-HWKANZROSA-N	263.293	1.094	10	20	CDCD	
CCNC(=O)[C@@H](C)N[C@H](C)c1cc(F)cc(F)c1O	756354755	COUXQMLLJNZGBC-HTQZYQBOSA-N	272.295	1.846	10	20	CDCD	
COc1cccc(O)c1CN[C@@H]1CCS(=O)(=O)[C@@H]1C	858282238	VEYFNSBDLQLOBY-MWLCHTKSSA-N	285.365	1.066	10	20	CDCD	
O=C(NCCO[C@H]1CCCCO1)c1cc(O)cs1	854551819	HTWDKCNTHKUHPQ-NSHDSACASA-N	271.338	1.727	10	20	CDCD	
c1cc(N2CCCCC2)ccc1CNC[C@H]1COCCN1	863484111	UEIMPHLIPWKXRQ-INIZCTEOSA-N	289.423	1.755	10	20	CDCD	
COc1cc(O)c(CN(C)C[C@@H](C)N)cc1OC	863651379	HLGJZLRNAFVMJU-SECBINFHSA-N	254.330	1.188	10	20	CDCD	
CN(C)c1ccc(CNS(=O)(=O)c2ccccn2)cc1	769751144	GPONTQBFMSRXGZ-UHFFFAOYSA-N	291.376	1.626	10	20	CDCD	
Cc1cccc(O)c1CNC[C@H](O)c1cnn(C)c1	877072967	ZMKAYEBSKJMXIZ-AWEZNQCLSA-N	261.325	1.257	10	20	CDCD	
Cc1ccc(CN[C@@H](C)C(=O)NCCF)c(O)c1	877500447	UTTBFERHOZNUNN-JTQLQIEISA-N	254.305	1.264	10	20	CDCD	
C[C@@H](O)c1ncc(C(=O)NCc2ccccc2O)s1	774064541	KKGOPNFTDCEMAN-MRVPVSSYSA-N	278.333	1.832	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2csc(O)n2)c1	771624343	ANOJWULRJQIMPM-UHFFFAOYSA-N	280.305	1.493	10	20	CDCD	
C[C@H]1C[C@H](C)N(C(=O)C(=O)N(C)Cc2ccccc2O)C1	1117879962	VPKJQARJCVYTAG-RYUDHWBXSA-N	290.363	1.608	10	20	CDCD	
N[C@]1(C(=O)NCCCSc2nccs2)CC1(F)F	870886439	ITKZCRSETINSSD-VIFPVBQESA-N	293.364	1.478	10	20	CDCD	
CN[C@@H](CC(C)C)C(=O)NCCc1ccc(N)cc1	884029046	ZEMLUJOUJVWKAL-AWEZNQCLSA-N	263.385	1.562	10	20	CDCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1C[C@@H]1F	1120990034	DLHAPHGNYOHMOE-NEPJUHHUSA-N	296.317	1.637	10	20	CDCD	
CCn1c(CCN)nnc1Sc1nccs1	892785251	FEPXUFABHBAJCN-UHFFFAOYSA-N	255.372	1.407	10	20	CDCD	
COc1ccc(CNCCC(C)(C)O)c(O)c1OC	893684787	GIGWTBZOGOMPHU-UHFFFAOYSA-N	269.341	1.660	10	20	CDCD	
CCc1cccc(CN2CCO[C@H](OC)C2)c1O	895964236	VKOOHGXFBPPVML-ZDUSSCGKSA-N	251.326	1.759	10	20	CDCD	
CC(C)[C@@H]1CN(C)CCN1C(=O)c1cccc(O)c1O	185706511	CIXUZORMNVATTR-LBPRGKRZSA-N	278.352	1.510	10	20	CDCD	
COC/C=C\C(=O)NCc1ccc2c(c1)CCCN2C	791341742	VBBUCCGYRYNKGE-XQRVVYSFSA-N	274.364	1.888	10	20	CDCD	
COc1ccc(CNC(=O)N[C@H]2CC[C@H](O)CC2)c(O)c1	793121323	VCZRHMDYFBBEKH-HAQNSBGRSA-N	294.351	1.504	10	20	CDCD	
COc1ccc(CNC(=O)[C@@H]2CCCOC2)c(O)c1	794381107	KYLDOLWGIJJYSJ-LLVKDONJSA-N	265.309	1.444	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)CO[C@H]1CCOC1	1330807927	PYHGFKHDVJJDPT-HNNXBMFYSA-N	292.379	1.483	10	20	CDCD	
COC(=O)c1cnc(S[C@H]2CCN(C3CC3)C2=O)s1	1330597831	FGNNJQIEPNLVNI-QMMMGPOBSA-N	298.389	1.785	10	20	CDCD	
CCN(C)C[C@@H]1CCN(C(=O)NCc2ccc(N)cc2)C1	1335726728	WRCVGTCKTWMKGW-AWEZNQCLSA-N	290.411	1.752	10	20	CDCD	
CCOCc1cc(CNC[C@H](OC)C(=O)O)ccc1OC	1332018375	XWRBPSRBCBMZRK-AWEZNQCLSA-N	297.351	1.421	10	20	CDCD	
CC1(C)CN(C(=O)NCc2ccc(N)cc2)CC[C@H]1O	1262603242	BUEHWDCVYKVEEC-CYBMUJFWSA-N	277.368	1.571	10	20	CDCD	
Cc1cc(CN2C[C@@H](C(=O)O)C[C@@H](O)C2)ccc1N(C)C	1600191864	INMDQJSESKWLCL-UONOGXRCSA-N	292.379	1.328	10	20	CDCD	
CC(=O)CN(CC(=O)O)Cc1cc(Cl)ccc1O	1603002227	XURASLOUWJWUOB-UHFFFAOYSA-N	271.700	1.521	10	20	CDCD	
CC(C)COC[C@@H](O)CSc1ncc(C(=O)O)s1	1603822697	GJAJWXHSINOJLN-MRVPVSSYSA-N	291.394	1.967	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2C(=O)O)c(O)c1O	1610484479	COFIVVDOTXYCAE-PSASIEDQSA-N	279.292	1.389	10	20	CDCD	
COc1cc(Cl)cc(CN2CC[C@H](NC(C)=O)C2)c1O	229121230	BVPYWCOMENHHSO-LBPRGKRZSA-N	298.770	1.765	10	20	CDCD	
O=C(O)[C@H]1CC=CC[C@H]1NCc1cc([N+](=O)[O-])ccc1O	1777659960	RUMADFAKXRCORS-NWDGAFQWSA-N	292.291	1.809	10	20	CDCD	
COc1cc(Cl)cc(CN[C@H](C)CC(N)=O)c1O	169092044	CSCVATGRFCIMSU-SSDOTTSWSA-N	272.732	1.408	10	20	CDCD	
CC[C@H](NCc1ccc2c(c1)CCCO2)C(=O)NC	922170799	MLYFVEDFMSNKIZ-ZDUSSCGKSA-N	262.353	1.626	10	20	CDCD	
COc1ccc(O)c(CN2CCC(NC(C)=O)CC2)c1	135749031	KFYYYPDRULHFED-UHFFFAOYSA-N	278.352	1.501	10	20	CDCD	
C[C@@H](NCCC(=O)N(C)C)c1ccc(N(C)C)cc1	37751965	KOIIODDQLGUWFN-GFCCVEGCSA-N	263.385	1.882	10	20	CDCD	
CCn1cc(CNCc2ccc(OC)cc2O)nn1	404449880	HUDPIZGZIYEXPF-UHFFFAOYSA-N	262.313	1.302	10	20	CDCD	
O=C1CCCN1CCN[C@@H]1CCc2cccc(O)c21	405331600	ASQZTGMPQKJEHI-GFCCVEGCSA-N	260.337	1.592	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NCCN2CCCC2=O)c1	405369315	NVIYJEALNKIXDM-LLVKDONJSA-N	278.352	1.674	10	20	CDCD	
CCNC(=O)C(C)(C)NCc1ccc(N(C)C)cc1	312881797	UUKVGIUGJURHRS-UHFFFAOYSA-N	263.385	1.757	10	20	CDCD	
CO[C@@]1(C(=O)O)CCN(Cc2ccccc2O)C1	703748430	IDRMIMSSPMQJJL-ZDUSSCGKSA-N	251.282	1.068	10	20	CDCD	
CCOc1cccc(CN2CCNC(C)(C)C2)c1O	396067334	NFWIGEYONXKRBW-UHFFFAOYSA-N	264.369	1.975	10	20	CDCD	
C[C@@H]1C[C@H](C(=O)O)CN(C(=O)c2cccc(O)c2O)C1	398749447	VFLLSCVPWOEGML-BDAKNGLRSA-N	279.292	1.281	10	20	CDCD	
CS(=O)(=O)CCNCc1ccc2c(c1)CCCO2	921615172	BUFCJLBYYDGGQP-UHFFFAOYSA-N	269.366	1.146	10	20	CDCD	
COc1cc(Cl)cc(CN[C@@H]2CC[C@H]2O)c1O	822504536	UIHFXZGGMHXVHP-NXEZZACHSA-N	257.717	1.667	10	20	CDCD	
CN(C)c1ccc(CNCCC[S@](C)=O)cc1F	116919525	CWCNJSWJWLYTEX-GOSISDBHSA-N	272.389	1.750	10	20	CDCD	
CC(C)OCCN1CCN(Cc2ccccc2O)CC1	179578371	SPXRNZLSVAQLQZ-UHFFFAOYSA-N	278.396	1.935	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CNC(=O)C(C)(C)C)cc1	29703513	OOLNBNWHPDZGEF-UHFFFAOYSA-N	291.395	1.531	10	20	CDCD	
CC(=O)N[C@H](C)C(=O)N1CCOc2cc(N(C)C)ccc21	173191647	IINJWWZAADIHBU-SNVBAGLBSA-N	291.351	1.003	10	20	CDCD	
COc1ccc(O)c(CNCC(=O)NC(C)C)c1	36781442	UDDSOAXXLDWSOE-UHFFFAOYSA-N	252.314	1.015	10	20	CDCD	
CCN(CC)CCNC(=O)NCc1cccc(OC)c1O	173265555	DYRUPZUIGAKWJW-UHFFFAOYSA-N	295.383	1.542	10	20	CDCD	
COc1cccc(CNC(=O)CC[C@H]2CCCO2)c1O	68489110	IXOFSEVZQFGHIX-GFCCVEGCSA-N	279.336	1.976	10	20	CDCD	
c1nnc(NCc2ccc(N3CCOCC3)cc2)s1	129169035	LRSVSUIODRBLIJ-UHFFFAOYSA-N	276.365	1.987	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NCCC2OCCO2)c1	125446609	NMCFDWRNIIGYFP-SNVBAGLBSA-N	267.325	1.814	10	20	CDCD	
Cc1ccc(O)c(CN2CC[C@H](S(C)(=O)=O)C2)c1	282407150	CYUHDRVVCJWSBR-LBPRGKRZSA-N	269.366	1.320	10	20	CDCD	
Cc1ccc(C(=O)N2CC[C@@](C)(O)C2)c(O)c1O	182559357	ASECIEPZIRGKQM-CYBMUJFWSA-N	251.282	1.003	10	20	CDCD	
CN(C)c1ncc(CNCc2ccccc2O)n1C	228406567	QPVYKFCLKPYWSR-UHFFFAOYSA-N	260.341	1.482	10	20	CDCD	
COc1ccc(N2CCN(C(=O)CC(C)(C)N)CC2)cc1	84162620	PHIUHAYOOGZPDO-UHFFFAOYSA-N	291.395	1.471	10	20	CDCD	
C[C@@H](CS(C)(=O)=O)N(C)Cc1ccc(N(C)C)cc1	93384195	RLZMBNNYGFJLBL-LBPRGKRZSA-N	284.425	1.618	10	20	CDCD	
COCCOC[C@@H]1CCN(Cc2ccccc2O)C1	179581578	KYKXWYDOUNANRO-CYBMUJFWSA-N	265.353	1.877	10	20	CDCD	
CNC(=O)C(C)(C)CN[C@H]1CCc2cccc(O)c21	296703855	HVTDIIQRMYDCMU-NSHDSACASA-N	262.353	1.741	10	20	CDCD	
O=C(COC1CCCC1)NCc1ccc(O)c(O)c1	269133054	WZFXKTRKKYLGAJ-UHFFFAOYSA-N	265.309	1.673	10	20	CDCD	
CC(=O)N[C@H](C(=O)NCc1ccccc1O)C1CCCC1	269139576	LKOZFOGBSAHBTQ-HNNXBMFYSA-N	290.363	1.703	10	20	CDCD	
CCOc1ccc(O)c(CN2CCn3nc(C)nc3C2)c1	271190862	PGAUTTUTIOCQDM-UHFFFAOYSA-N	288.351	1.707	10	20	CDCD	
COCCN(CCN(C)C)Cc1cc(C)ccc1O	289428208	KGSQLYSOIZWLLV-UHFFFAOYSA-N	266.385	1.711	10	20	CDCD	
OC[C@@H](CNCc1cc(F)ccc1O)[C@H]1CCOC1	280443716	CUYBVYUFPQLSBZ-CMPLNLGQSA-N	269.316	1.266	10	20	CDCD	
OC[C@@H](CNCc1cccc(Cl)c1O)[C@@H]1CCOC1	280793326	HQNPIQHTYVEJLB-VXGBXAGGSA-N	285.771	1.780	10	20	CDCD	
COc1cc(O)c(CN(C)[C@@H]2CCC[C@H]2O)cc1OC	289602643	KVNKSHPYNFSQGP-VXGBXAGGSA-N	281.352	1.755	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@](C)(O)C1CC1	287990068	VFKPFADSAUEZGM-BJOHPYRUSA-N	279.336	1.306	10	20	CDCD	
Cc1ccc(C(=O)NC[C@]2(O)CCC[C@@H]2C)c(O)c1O	294324085	PMKBVEPERFGZEB-ZUZCIYMTSA-N	279.336	1.687	10	20	CDCD	
CC(C)N(C)C(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1	297630702	WNYSLELDFGHJDK-UHFFFAOYSA-N	291.395	1.578	10	20	CDCD	
C[C@@H]1CN(Cc2ccc(N3CCCCC3)cc2)CC(=O)N1	294685814	AHMYTNRIRVDGAI-CQSZACIVSA-N	287.407	1.997	10	20	CDCD	
COc1cccc(O)c1CN1CC[C@@](F)(CO)C1	802661046	FHHFXMPDYJFDLD-ZDUSSCGKSA-N	255.289	1.307	10	20	CDCD	
CC[C@H]1C(=O)NCCN1Cc1ccc(N(C)C)c(C)c1	815051822	ZTSSIJUXJDUSMM-AWEZNQCLSA-N	275.396	1.771	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1ncn(C)n1	810411916	VXBVDUQLRDAQQP-UHFFFAOYSA-N	273.340	1.120	10	20	CDCD	
Cc1cc(Cl)cc([C@H](C)NCCN2CCNCC2)c1O	817944865	NXVXWTGUUAMVQV-LBPRGKRZSA-N	297.830	1.910	10	20	CDCD	
C[C@@H](NC[C@@H]1CNCCCO1)c1ccc(N(C)C)cc1	817979640	CINCVFCBHITNRV-CJNGLKHVSA-N	277.412	1.782	10	20	CDCD	
CN1CCN(Cc2ccc(Br)cc2O)CC1=O	824824335	JSDKXWCCCHNBBI-UHFFFAOYSA-N	299.168	1.429	10	20	CDCD	
Nc1ccc(CC(=O)N[C@@H](CC(=O)O)C2CC2)cc1	137458667	UULXPWHTNPCLKQ-LBPRGKRZSA-N	262.309	1.181	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)C2=COCCO2)c1	728983743	DUYHKVCAKLFMET-VIFPVBQESA-N	279.292	1.466	10	20	CDCD	
CC(=O)c1cc(F)cc(CN(CC(=O)O)C2CC2)c1O	825946751	ONGGXVBOVXGZKX-UHFFFAOYSA-N	281.283	1.783	10	20	CDCD	
O=C1OCCN1[C@@H]1CCN(Cc2cc(F)ccc2O)C1	827000844	PUSCQWLMQCLYJJ-GFCCVEGCSA-N	280.299	1.558	10	20	CDCD	
CO[C@@H]1COCC[C@H]1CNCc1cccc(C)c1O	824708448	GSPDRWWUVLIHAR-GXTWGEPZSA-N	265.353	1.842	10	20	CDCD	
CC(C)N[C@@H]1CCCN(C(=O)c2c(F)ccc(O)c2O)C1	825670112	ICNGVDFYBUWOIR-SNVBAGLBSA-N	296.342	1.840	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1CCOC[C@H]1CC(=O)O	902001291	DMJBDNDUFMRQAS-OAHLLOKOSA-N	292.379	1.737	10	20	CDCD	
COc1ccc(CN[C@@]2(CC(=O)O)CCOC2)cc1C	901836876	LJOCMIFCOYNUDJ-OAHLLOKOSA-N	279.336	1.727	10	20	CDCD	
CCNC(=O)CN1CCCc2cc(OC)cc(OC)c21	839653661	BEPLNFSRUBAUHH-UHFFFAOYSA-N	278.352	1.593	10	20	CDCD	
C[C@@H]1[C@H](O)CCN1C(=O)NCc1ccc(N(C)C)c(F)c1	838027917	CCIGOPMVCQQNOC-QMTHXVAHSA-N	295.358	1.556	10	20	CDCD	
CNCCCC(=O)NCc1ccc(OC)cc1O	832178582	SRCUWRCVIKQGDR-UHFFFAOYSA-N	252.314	1.017	10	20	CDCD	
CC(=O)NCC(C)(C)C(=O)NCCc1ccc(N)cc1	846664761	CCUNKRGJDRTMOY-UHFFFAOYSA-N	277.368	1.090	10	20	CDCD	
COc1ccc(O)c(CNC(=O)NCc2nonc2C)c1	745820211	NEBQAGASDUYGSF-UHFFFAOYSA-N	292.295	1.092	10	20	CDCD	
CC(C)C[C@H](N)C(=O)NC[C@H](N)c1ccc(N(C)C)cc1	841846762	TYNKZAGSGWWKEU-GJZGRUSLSA-N	292.427	1.242	10	20	CDCD	
CCO[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(N)cc2)C1	841021563	YCQGRZMCCHTBEI-CYBMUJFWSA-N	291.351	1.235	10	20	CDCD	
CN1CC[C@@H](c2nc(Cc3ccc(N)cc3)no2)CC1=O	843159028	LDLFWQFKKHJVPG-LLVKDONJSA-N	286.335	1.578	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)[C@@H](C)C(=O)O)cc1	842569774	JVLMOCGAJIFLFB-LLVKDONJSA-N	278.352	1.870	10	20	CDCD	
Cc1cc(CN2CCOC[C@H]2C(=O)O)ccc1N(C)C	846224893	CENWOUWJWHGVEZ-AWEZNQCLSA-N	278.352	1.346	10	20	CDCD	
CCCC[C@@H](CN)NCc1ccc([N+](=O)[O-])c(OC)c1O	841029978	IGZADMWCFGKDOV-NSHDSACASA-N	297.355	1.916	10	20	CDCD	
CSCC[C@H](O)C(=O)N[C@H](C)c1ccccc1O	827941756	XPNXZIGMWNKSQA-SKDRFNHKSA-N	269.366	1.683	10	20	CDCD	
C[C@H](N[C@@H]1CC[C@H](C(N)=O)C1)c1ccc(F)cc1O	834906860	IHLRJHAWGVCSBO-ATZCPNFKSA-N	266.316	1.836	10	20	CDCD	
CCC(C)(C)NC(=O)[C@@H](C)OC(=O)c1cccc(O)c1O	758547363	KDDGWIVACWBFPG-SECBINFHSA-N	295.335	1.948	10	20	CDCD	
CCOC(=O)CC(=O)N[C@@H](C)c1cc(OC)ccc1O	761974015	SFNUXYNOJKCTAG-VIFPVBQESA-N	281.308	1.531	10	20	CDCD	
CCc1noc(C)c1C(=O)NCCc1ccc(O)c(O)c1	767773312	GPRSEUJQABBYHT-UHFFFAOYSA-N	290.319	1.929	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@@H]2CCN(C)C(=O)C2)c1	862759783	LKVGBFMFOFSMJN-LLVKDONJSA-N	276.336	1.185	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)CCOC[C@H]2CCCO2)c1	862759906	MOWFGVYLKUDTTP-CQSZACIVSA-N	293.363	1.903	10	20	CDCD	
CC[C@](C)(O)C(=O)NCCCSc1nccs1	932684246	VJXBYRYMTNNUNR-NSHDSACASA-N	274.411	1.903	10	20	CDCD	
CN(CCS(N)(=O)=O)Cc1ccc2ccccc2c1O	877826242	VPSICCPVQZNNJI-UHFFFAOYSA-N	294.376	1.266	10	20	CDCD	
CON(C)C(=O)C1CCN(Cc2ccc(C)cc2O)CC1	877544061	LGBMUHBWRTYGPT-UHFFFAOYSA-N	292.379	1.932	10	20	CDCD	
COc1ncc(/C=C\C(=O)NCc2ccccc2O)cn1	775880599	QXCVWTNRHGRJMS-SREVYHEPSA-N	285.303	1.520	10	20	CDCD	
COCCCN(C)CCNCc1ccc(C)cc1O	877071497	PTCYYXZKADBEQJ-UHFFFAOYSA-N	266.385	1.759	10	20	CDCD	
Cc1ccc(CN2CCC(O)(CO)CC2)c(O)c1	877629197	RPRMQYKJRVGDGZ-UHFFFAOYSA-N	251.326	1.020	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)Cc1nnc(N)s1	1123760231	IZJDOHKQMQHAJD-UHFFFAOYSA-N	278.337	1.027	10	20	CDCD	
CC(=O)c1cc(O)ccc1NS(=O)(=O)c1ccco1	783531479	GKBCFPFGPZPZGB-UHFFFAOYSA-N	281.289	1.989	10	20	CDCD	
O=C(NCc1nccs1)c1c(F)ccc(O)c1O	789957294	OFNFWQHLNALNOW-UHFFFAOYSA-N	268.269	1.623	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@@]23CCCN(CC2)C3)c1	896361124	LCUMFKZCGWYKPX-INIZCTEOSA-N	290.363	1.503	10	20	CDCD	
CC(=O)N1CC(C(=O)NCc2ccc(N(C)C)cc2C)C1	788223443	MFCIQSDZKRAKMV-UHFFFAOYSA-N	289.379	1.156	10	20	CDCD	
C[C@H](C[S@@](C)=O)NCc1ccc2c(c1)CCO2	168150277	FTBMVDZBDRUYNW-QGHHPUGFSA-N	253.367	1.478	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1C[C@H](O)C[C@]1(C)CO	895323178	AFMMPUMHHPBVLL-HZPDHXFCSA-N	278.396	1.379	10	20	CDCD	
O=C(NO[C@@H]1CCCCO1)c1cccc(O)c1O	274985214	QOPVCBAJXONXED-SNVBAGLBSA-N	253.254	1.286	10	20	CDCD	
COCCO[C@@H]1CCN(Cc2cccc(OC)c2O)C1	188826116	QLKBCEXGWBZTCX-CYBMUJFWSA-N	281.352	1.638	10	20	CDCD	
CC[C@H](C(=O)NCc1ccc(OC)cc1O)C(=O)OC	794376967	NXOLGSWODRLULJ-LLVKDONJSA-N	281.308	1.216	10	20	CDCD	
COc1cccc(O)c1CN(C)CC(=O)NC(C)C	768204019	OBQZLIXPTZSXQK-UHFFFAOYSA-N	266.341	1.357	10	20	CDCD	
CC(C)NCCC(=O)N[C@H](C)c1ccccc1O	870988533	RYHSIOYHMWGCIL-LLVKDONJSA-N	250.342	1.958	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cncnc1C	1336498046	TYQLBAHNXLZDPF-UHFFFAOYSA-N	292.335	1.906	10	20	CDCD	
COCC1CCN(C(=O)NCc2ccc(N)cc2)CC1	1262603481	JTTMNLRMLXARQI-UHFFFAOYSA-N	277.368	1.837	10	20	CDCD	
Cn1cc(C(=O)NCc2cccc(O)c2O)c(C2CC2)n1	1347542151	JWHMNWOKKJOWPM-UHFFFAOYSA-N	287.319	1.639	10	20	CDCD	
CCN(CC)CCSCC(=O)NCc1ccc(N)cc1	1343471774	AXSARHZDJLCHOE-UHFFFAOYSA-N	295.452	1.960	10	20	CDCD	
CN(Cc1ccccc1O)c1nnc(Cc2cc[nH]n2)n1C	1262899244	KPSBCZUDMODJCN-UHFFFAOYSA-N	298.350	1.471	10	20	CDCD	
CCCNC(=O)[C@@H](C)NC(=O)N[C@H](C)c1ccccc1O	1340473422	QOYLZHFIILBYKR-GHMZBOCLSA-N	293.367	1.667	10	20	CDCD	
O=C(NCc1cccc(O)c1O)c1ccc(NC2CC2)nc1	1348047975	QMVUUFYZQKDJKB-UHFFFAOYSA-N	299.330	1.997	10	20	CDCD	
OC1(CNCc2ccc(N3CCOCC3)cc2)CCC1	134517541	ZGNGSYIYGPLRFI-UHFFFAOYSA-N	276.380	1.528	10	20	CDCD	
CCN(CC)c1ccc(CN2CCC[C@@H]2C(N)=O)cc1	160368107	KDMHSYZWXPCSJM-OAHLLOKOSA-N	275.396	1.983	10	20	CDCD	
COc1cccc(CNC2CCS(=O)CC2)c1O	157980913	YWQQVVLESIEILG-UHFFFAOYSA-N	269.366	1.402	10	20	CDCD	
COc1cccc(O)c1CN1C[C@@H](C)S(=O)(=O)[C@H](C)C1	811518747	PRBNVPLXITWJAG-GHMZBOCLSA-N	299.392	1.408	10	20	CDCD	
C[C@H]1CCCN(C(=O)Cc2ccc(N)cc2)[C@H]1CCN	846692368	ANSPMBAVWIVGII-WFASDCNBSA-N	275.396	1.787	10	20	CDCD	
COC(=O)CCN[C@H](C)c1cc(OC)ccc1O	34961226	XZTGVEIINCWHSR-SECBINFHSA-N	253.298	1.615	10	20	CDCD	
COc1ccc(O)c([C@H](C)N[C@H](C)c2ncn(C)n2)c1	275639453	CJIAPHCZCZWKNF-VHSXEESVSA-N	276.340	1.941	10	20	CDCD	
O=C(c1cccc(O)c1O)N1C[C@H]2[C@H](C1)C2(F)F	715436560	LMTCGGZRQOTAAJ-YUMQZZPRSA-N	255.220	1.435	10	20	CDCD	
COC(=O)N1CCN(Cc2cccc(Cl)c2O)CC1	387338496	PRFGPAXFUYGPTE-UHFFFAOYSA-N	284.743	1.930	10	20	CDCD	
CO[C@@H](C)C(=O)N1CCOc2cc(N(C)C)ccc21	173204795	IUNSINXQQYNKBD-JTQLQIEISA-N	264.325	1.513	10	20	CDCD	
COCCC(=O)NCc1ccc(N2CCCC2)cc1	171376931	ANYZQTONEWDJQA-UHFFFAOYSA-N	262.353	1.940	10	20	CDCD	
CN(C)c1ccc(CNS(=O)(=O)C2CC2)cc1	172986883	QZAQBSICCOXXHV-UHFFFAOYSA-N	254.355	1.334	10	20	CDCD	
O=C(NCc1ccc(N2CCCC2)cc1)[C@]1(F)CCNC1	178711208	HHHDNSIHSLHGKM-INIZCTEOSA-N	291.370	1.605	10	20	CDCD	
COC[C@H]1CN(Cc2cc(OC)ccc2O)C[C@H](C)O1	188366020	VUTICPHZZHARPC-SMDDNHRTSA-N	281.352	1.637	10	20	CDCD	
C[C@H](O)CN1CCN(Cc2ccc(N(C)C)cc2)CC1	189851088	ZOCUBDWNBNOYRX-AWEZNQCLSA-N	277.412	1.251	10	20	CDCD	
CNCCCN(C)Cc1cc(F)cc(C(C)=O)c1O	124709590	JYNBOLFWPNOXPK-UHFFFAOYSA-N	268.332	1.775	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)NC[C@@H](O)c1ccccc1	211228214	RVVYAMZDPNZUCJ-DZFYGRHCSA-N	299.326	1.961	10	20	CDCD	
O=[N+]([O-])c1ccc(O)c(CNC[C@H]2CC[C@H](O)C2)c1	188815256	CPLSEDKZMFMGRI-CABZTGNLSA-N	266.297	1.551	10	20	CDCD	
CN(C)c1ccc(CN2CC[C@@H](N3CCNCC3)C2)cc1	76525541	ARRDEFBKJPQCLI-QGZVFWFLSA-N	288.439	1.232	10	20	CDCD	
CN(CC(=O)NCc1ccc(N(C)C)cc1)CC1CC1	49238084	ODYPPFUZBQLRPB-UHFFFAOYSA-N	275.396	1.711	10	20	CDCD	
CCOC(=O)c1cnc(SCCC(=O)OC)s1	383418274	XKMIUKSYLJHDIW-UHFFFAOYSA-N	275.351	1.975	10	20	CDCD	
Oc1ccccc1CN1CCO[C@H]([C@@H]2CCCO2)C1	179585827	IAOCGWJPJLYFRL-GJZGRUSLSA-N	263.337	1.772	10	20	CDCD	
CC[C@H](OC)C(=O)N1CCOc2cc(N(C)C)ccc21	266344742	NNQRGANTWXFRIL-ZDUSSCGKSA-N	278.352	1.903	10	20	CDCD	
COc1cccc(CNC(=O)[C@@H]2CC23CCOCC3)c1O	364394300	UYGDJANSTPISPH-LBPRGKRZSA-N	291.347	1.834	10	20	CDCD	
COC(=O)COc1ccc(N(C)C[C@@H](O)CSC)cc1	275187519	OFPHVXZQPBIRCO-GFCCVEGCSA-N	299.392	1.399	10	20	CDCD	
COC(=O)[C@H]1CC[C@@H](NC(=O)c2cccc(O)c2O)C1	279011266	AHDDNSPUCLMVHC-DTWKUNHWSA-N	279.292	1.169	10	20	CDCD	
Cc1ccc(C(=O)N2C[C@@H](O)C(C)(C)C2)c(O)c1O	279779408	NOFBQCZRKWEFPI-SNVBAGLBSA-N	265.309	1.249	10	20	CDCD	
CC[C@@H](C(=O)N[C@H](C)Cc1ccc(O)c(O)c1)C(=O)OC	276834867	PBCGVXQTDSPTQW-KOLCDFICSA-N	295.335	1.344	10	20	CDCD	
Cc1cccc(CN2CCN(C(C)C)C(=O)C2)c1O	272544256	PSJCXZUQIOFSID-UHFFFAOYSA-N	262.353	1.753	10	20	CDCD	
C[C@H](NCCCn1cc(CO)nn1)c1ccccc1O	289815532	ORVBCLPPPRECML-NSHDSACASA-N	276.340	1.217	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCC[C@@H](c2ncc[nH]2)C1	280398183	GEDQLOKSVJYVEF-SNVBAGLBSA-N	287.319	1.841	10	20	CDCD	
CCc1ccccc1OCC(=O)OCC(=O)C(C)=O	808489445	QMYZSXJWHKHAOG-UHFFFAOYSA-N	264.277	1.329	10	20	CDCD	
OCCCN1CCC[C@H](NCc2cc(F)ccc2O)C1	295209920	ZXLLDOQBUXOHRD-AWEZNQCLSA-N	282.359	1.468	10	20	CDCD	
CO[C@@H](C)CN(C)C(=O)c1c(F)ccc(O)c1O	295798073	SGGOPLGNZOLNTD-ZETCQYMHSA-N	257.261	1.344	10	20	CDCD	
CN1C(=O)CC[C@H](NCc2ccc(N(C)C)c(F)c2)C1=O	818234219	VKOXVXOZBJESHZ-LBPRGKRZSA-N	293.342	1.129	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCC[C@@H](n2ccnn2)C1	819639626	IBGHCEGBJYNAPH-SNVBAGLBSA-N	288.307	1.167	10	20	CDCD	
Cc1ccc(C(=O)O[C@@H](C(N)=O)C(C)C)c(O)c1O	727003921	FRQDZZXYNPPGNP-LLVKDONJSA-N	267.281	1.073	10	20	CDCD	
C[C@H](Cn1cncn1)NCc1ccc2c(c1)CCCN2C	727644639	NXVRZCVRDDTTOZ-CYBMUJFWSA-N	285.395	1.839	10	20	CDCD	
COC(=O)COc1ccc(N(C)CC[C@@H](C)O)cc1	828790644	HZVRZWAWJVFXMS-LLVKDONJSA-N	267.325	1.446	10	20	CDCD	
C[C@H](c1nccc(N)n1)N(C)Cc1ccccc1O	821391462	LJRGRQPMCXNQIV-SNVBAGLBSA-N	258.325	1.957	10	20	CDCD	
CCNC(=S)NCc1ccc(N2CCN(C)CC2)cc1	905531775	UVZVWAKLWNIXTA-UHFFFAOYSA-N	292.452	1.422	10	20	CDCD	
CCCOc1ccc(CN[C@H](CC(=O)O)C(=O)O)cc1C	904053706	SSQIDHXGYISYDP-GFCCVEGCSA-N	295.335	1.801	10	20	CDCD	
COc1ccc(O)c(CN(C)C2CCN(OC)CC2)c1	835076572	RUGCIFMJKVIIDR-UHFFFAOYSA-N	280.368	1.858	10	20	CDCD	
NC(=O)C1(CNC(=O)c2cc(O)cs2)CCCC1	734557491	FQUDCOUHRCBRRL-UHFFFAOYSA-N	268.338	1.229	10	20	CDCD	
C/C(=C/C(=O)N1CCOc2c1c(C)nn2C)c1cnccn1	839301210	DLLZIHVGGGRZAI-NTMALXAHSA-N	299.334	1.347	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)c1cc(C2CC2)[nH]n1	910952012	OZNVMNLTCHMZKS-UHFFFAOYSA-N	273.292	1.628	10	20	CDCD	
Nc1ccc(Cc2noc(COC[C@H]3CCCO3)n2)cc1	843160442	YHHZGKOMUZOIRA-CYBMUJFWSA-N	289.335	1.938	10	20	CDCD	
CCOc1ccc(CN2CC[C@H]([C@@H](C)N)C2)c(O)c1	843056914	BUEIKXLDMCAQSZ-NEPJUHHUSA-N	264.369	1.960	10	20	CDCD	
COC/C(C)=C/C(=O)NCc1ccc(O)c(O)c1	845834456	OVFSXTRZKSTLPQ-WEVVVXLNSA-N	251.282	1.307	10	20	CDCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C(C)(C)O	840554606	IIXSVPINTMFGEK-GFCCVEGCSA-N	278.396	1.879	10	20	CDCD	
COC(=O)[C@H]1C[C@@H](O)CN(Cc2cccc(Cl)c2O)C1	843434100	HPJNXJDGEWEWJP-WDEREUQCSA-N	299.754	1.401	10	20	CDCD	
C[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(N)cc2)C1	841010614	GZOWOOADACNTLW-GXFFZTMASA-N	275.352	1.902	10	20	CDCD	
CCO[C@H]1COCC[C@H]1NCc1cc([N+](=O)[O-])ccc1O	759173905	RCVNRQWUXDPKBU-OCCSQVGLSA-N	296.323	1.584	10	20	CDCD	
Cc1ccc(C(=O)N2CCn3cccc3C2)c(O)c1O	928960477	AWWZONQJJCJMNP-UHFFFAOYSA-N	272.304	1.864	10	20	CDCD	
CC1(C)CN(Cc2cc3c(cc2O)OC[C@H]3O)CCO1	768440803	YXLFUVKEKZOEQP-CYBMUJFWSA-N	279.336	1.429	10	20	CDCD	
CNC(=O)CCN(C)Cc1cc(F)c(N(C)C)cc1F	862239037	SKLQNQJGTCLWOH-UHFFFAOYSA-N	285.338	1.599	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc(C)nn1	935945340	UGMIFYQEFACKND-UHFFFAOYSA-N	292.335	1.906	10	20	CDCD	
CN1CCN(C(=O)/C=C\c2cn(C)cn2)c2ccccc2C1	931951826	UPARIFASFNXLCK-FPLPWBNLSA-N	296.374	1.912	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2nc(C)no2)c1	865936754	GWKSEEQDFKKJOX-UHFFFAOYSA-N	263.253	1.022	10	20	CDCD	
CCO[C@@H]1COCC[C@H]1NCc1cc(F)ccc1O	761222171	IMCWPUUSELAHHU-TZMCWYRMSA-N	269.316	1.815	10	20	CDCD	
COc1cccc(CNC(=O)[C@H]2CCSC2)c1O	762526799	OLVLVKNTWJVCFH-JTQLQIEISA-N	267.350	1.770	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NCCNC(=O)C2CC2)c1	1119142959	BSKQCSYGSQBLQW-UHFFFAOYSA-N	291.351	1.026	10	20	CDCD	
Cc1ccc(O)c(CNS(=O)(=O)C2(C)CC2)c1	1118821552	IHBYLGFYKPZRHA-UHFFFAOYSA-N	255.339	1.673	10	20	CDCD	
COCCO[C@H]1COCC[C@@H]1NCc1ccccc1O	776811617	BGDXFKKIPGENAK-ZFWWWQNUSA-N	281.352	1.302	10	20	CDCD	
Cc1cc(Cn2cc([C@@H](C)N)nn2)ccc1N(C)C	881377478	OGZKPDLYKLOBPB-LLVKDONJSA-N	259.357	1.721	10	20	CDCD	
O=C(NCCn1cccc1)c1c(F)ccc(O)c1O	789985288	CNYRRJIDGWGGSQ-UHFFFAOYSA-N	264.256	1.468	10	20	CDCD	
CC[C@H](CN1CCOCC1)NC(=O)Cc1ccc(N)cc1	1122253839	JHQISJRPHOJOSU-OAHLLOKOSA-N	291.395	1.038	10	20	CDCD	
C[C@@H](NCCCOCCO)c1c(O)cccc1F	886588380	PXFQUSNFOIFXLG-SNVBAGLBSA-N	257.305	1.581	10	20	CDCD	
Cc1nnc(CNC(=O)c2cc(O)cs2)s1	780815375	ZQPQFGRSVMDXNL-UHFFFAOYSA-N	255.324	1.544	10	20	CDCD	
CC[C@H](O)[C@H](C)C(=O)NCc1ccc(N(C)C)cc1	899982180	AHSGOAAOYLTKDQ-FZMZJTMJSA-N	264.369	1.776	10	20	CDCD	
COc1cc(C)cc(CN[C@@H](C)CC[S@@](C)=O)c1O	894332930	KIMXGOJKSSBMKF-JEOXALJRSA-N	285.409	1.956	10	20	CDCD	
C[C@]1(CO)C[C@@H](O)CN1Cc1c(O)ccc(Cl)c1F	895328911	HLPLKCCSVYVYDK-AMIZOPFISA-N	289.734	1.502	10	20	CDCD	
COc1cc(C)cc(CN[C@@H](C)CC(N)=O)c1O	894342205	JJOGFQRCWFQHFK-VIFPVBQESA-N	252.314	1.063	10	20	CDCD	
COc1ccc(CNc2cnn(C)c(=O)c2Cl)c(O)c1	795290091	PSINQHAMTYXUPN-UHFFFAOYSA-N	295.726	1.760	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)C2=CCOCC2)c1	793690282	UPVCTYBKBSLURY-SNVBAGLBSA-N	277.320	1.925	10	20	CDCD	
O=C(NCC[C@H](O)c1ccccc1)c1cccc(O)c1O	790805893	SCJIJGZAUSPNTK-ZDUSSCGKSA-N	287.315	1.951	10	20	CDCD	
CC[C@]1(NCc2cc([N+](=O)[O-])ccc2O)CCOC1	791003872	NTJOSOYOOWHCSK-ZDUSSCGKSA-N	266.297	1.959	10	20	CDCD	
COc1cccc(O)c1CN[C@@H]1CCCS(=O)(=O)C1	754890328	QYEFFWMGMCZGJE-SNVBAGLBSA-N	285.365	1.068	10	20	CDCD	
CC[C@@H](C)[C@@H](C)NC(=O)C(=O)NCCc1ccc(N)cc1	1328732399	KPENLOMVTZQPKF-VXGBXAGGSA-N	291.395	1.478	10	20	CDCD	
COc1cccc(CNC(=O)N[C@@H]2C[C@@H]3CC[C@H]2O3)c1O	1256533205	NOQGMEMWAREEBV-QJPTWQEYSA-N	292.335	1.520	10	20	CDCD	
CC(C)OC(=O)C(C)(C)NC(=O)Cc1ccc(N)cc1	1342294259	IKJWOHZKQYXNEQ-UHFFFAOYSA-N	278.352	1.658	10	20	CDCD	
C[C@@H](N[C@H](C)c1cc(C(=O)O)ccc1O)C(=O)N(C)C	1604356995	DLVKYUZXNPUCAV-RKDXNWHRSA-N	280.324	1.218	10	20	CDCD	
CN(Cc1cncc(-c2nn[nH]n2)c1)Cc1ccccc1O	1604822779	QESGXADNQBSQNQ-UHFFFAOYSA-N	296.334	1.599	10	20	CDCD	
Cc1cccc(CN[C@H](C[C@@H]2CCCO2)C(=O)O)c1O	1600532620	WANPMGKNDIRZQF-QWHCGFSZSA-N	279.336	1.813	10	20	CDCD	
C/C(=C\CNC(=O)N[C@H](C)c1ccccc1O)C(=O)O	1588973026	JAIHXKRGJBPENR-TTZKWOQHSA-N	278.308	1.783	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)c1cc(C(=O)O)no1	1598530626	OOYSIRUTGPZYKO-UHFFFAOYSA-N	276.248	1.351	10	20	CDCD	
CC[C@@H](N)CN[C@H](C)c1cc(C(=O)O)ccc1O	1595222222	CCOLTUJUHJCXTR-PSASIEDQSA-N	252.314	1.478	10	20	CDCD	
COc1cccc(O)c1CN(C)C[C@@H]1COCCO1	827140553	LHQGSBQBIYBFOH-LLVKDONJSA-N	267.325	1.248	10	20	CDCD	
CN1CCCc2cc(CNCCS(C)(=O)=O)ccc21	50286705	BNSRMDHGBFATNO-UHFFFAOYSA-N	282.409	1.203	10	20	CDCD	
CCC[C@H]1CN(C(=O)c2cccc(O)c2O)CCO1	189541205	VMLIODNNSFAJJC-JTQLQIEISA-N	265.309	1.739	10	20	CDCD	
Cc1ccc(O)c(CNC[C@@H]2CN(C)CCN2C)c1	68800646	SKOHVERWFZRSOO-CQSZACIVSA-N	263.385	1.036	10	20	CDCD	
C[C@@H]1CN(C(=O)CN(C)c2ccc(N)cc2)C[C@@H](C)O1	702068673	AHNKRUFKORRNOC-VXGBXAGGSA-N	277.368	1.341	10	20	CDCD	
COc1cccc(CN2CCN[C@@H](C)[C@@H]2C)c1O	379438477	OYLMKRJSPPKESP-QWRGUYRKSA-N	250.342	1.583	10	20	CDCD	
COCC(COC)NCc1cc(Cl)ccc1O	388426864	KWIKZIOKUILFGJ-UHFFFAOYSA-N	259.733	1.797	10	20	CDCD	
COC(=O)[C@@H](C)CN(C)Cc1cc(OC)ccc1O	179773968	NHAIIOYAYLIIHD-JTQLQIEISA-N	267.325	1.642	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCOC[C@@H]1C	115854648	MWKXKHDPQIEOKB-ZDUSSCGKSA-N	291.395	1.991	10	20	CDCD	
CCOc1cccc(CNCC2(O)CCN(C)CC2)c1O	77450474	MNFZGVKBQWEIMZ-UHFFFAOYSA-N	294.395	1.337	10	20	CDCD	
Cc1cnn(CCC(=O)NCCc2ccc(N)cc2)c1	237798335	YEFOAUKUJIOFFG-UHFFFAOYSA-N	272.352	1.523	10	20	CDCD	
CNC(=O)[C@H](C)CN(C)Cc1ccc(N(C)C)cc1	93898586	RAFYPZYKLRSSDY-GFCCVEGCSA-N	263.385	1.567	10	20	CDCD	
C[C@@H]1CCN(Cc2ccc(N3CCOCC3)cc2)[C@H]1CO	249064798	IKMCRKKKGMJBRZ-PBHICJAKSA-N	290.407	1.726	10	20	CDCD	
CCC[C@H](O)CNC(=O)NCc1ccc(N(C)C)c(F)c1	265125465	HXBQDHHSOOYLPP-LBPRGKRZSA-N	297.374	1.852	10	20	CDCD	
CCOCCN(C)Cc1ccc([N+](=O)[O-])c(OC)c1O	278529247	UPAFRLNLHJYKNB-UHFFFAOYSA-N	284.312	1.777	10	20	CDCD	
Oc1ccccc1CNCC1(N2CCOCC2)CC1	277525419	UBCHEJMKDLJCCV-UHFFFAOYSA-N	262.353	1.347	10	20	CDCD	
CCN(CCOC)C(=O)/C=C/c1ccc(O)c(O)c1	272407186	INTCJGIMNMCEIU-FNORWQNLSA-N	265.309	1.606	10	20	CDCD	
CCCCN(Cc1ccccc1O)C(=O)[C@@H]1COCCO1	282561776	UHBBBSIRJFJNBY-HNNXBMFYSA-N	293.363	1.936	10	20	CDCD	
C[C@@H](NCC1([S@@](C)=O)CC1)c1cc([N+](=O)[O-])ccc1O	282498925	XZQBDIDLVJIIRG-GSDQLPOLSA-N	298.364	1.862	10	20	CDCD	
Cc1ccc(O)c([C@H](C)N[C@@H](C)C(=O)NCCF)c1	282690631	KGGVCYHHHXCTJN-QWRGUYRKSA-N	268.332	1.825	10	20	CDCD	
COc1cccc(CN2CCN(C[C@@H](C)O)C[C@H]2C)c1O	284289250	IAAFJMHTLGAMLJ-CHWSQXEVSA-N	294.395	1.288	10	20	CDCD	
CC(=O)C(=O)COC(=O)COc1ccc(F)c(Cl)c1	808483488	VISNOUMBZJQIBO-UHFFFAOYSA-N	288.658	1.559	10	20	CDCD	
COc1cc(Cl)cc(CN[C@]2(C)CCOC2=O)c1O	290857960	JMLCOXNTGYTSTR-CYBMUJFWSA-N	285.727	1.849	10	20	CDCD	
CN(Cc1ccc(N2CCOCC2)cc1)C[C@H](O)C1CC1	809751136	CPQBZRDZQOKXKU-KRWDZBQOSA-N	290.407	1.726	10	20	CDCD	
CC(=O)C(=O)CSc1nnc(C2CC2)n1C1CC1	808018593	MTZKDBXYHYWXQN-UHFFFAOYSA-N	265.338	1.741	10	20	CDCD	
COc1ccc(N2CC[C@@H](CN[C@@H]3CCOC3)C2)cc1	818219778	DGZXJCQLYDVTIG-UONOGXRCSA-N	276.380	1.900	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@@H]2CCNC2)c1	817944794	MJYCFTBHWYCJGF-GXSJLCMTSA-N	264.325	1.191	10	20	CDCD	
CCOC(=O)CN(Cc1ccccc1O)C(=O)C(F)F	819694449	IRDAIVIITFTENN-UHFFFAOYSA-N	287.262	1.549	10	20	CDCD	
COc1cccc(CNCCC(C)(C)C(=O)O)c1O	818628860	AYNYJECZZZSWCC-UHFFFAOYSA-N	267.325	1.991	10	20	CDCD	
COc1cccc(CN2CCCN(C=O)CC2)c1O	827876823	FCANCGZIELZSJG-UHFFFAOYSA-N	264.325	1.065	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)C[C@H](C)N)c1	828666156	ATAQORDWBOPCAP-DTWKUNHWSA-N	252.314	1.315	10	20	CDCD	
C[C@@H](NCCN1CCCOCC1)c1c(O)cccc1F	903227698	MXNWOXOGBNGSEA-GFCCVEGCSA-N	282.359	1.904	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1C[C@@H]1C(=O)O	738401855	JWSUFJYUBZPHCG-STQMWFEESA-N	276.336	1.398	10	20	CDCD	
Nc1ccc(NC(=O)C2(C(=O)NC3CC3)CC2)cc1	832244827	ZAYULCZNIOJZMY-UHFFFAOYSA-N	259.309	1.266	10	20	CDCD	
CCO[C@H](CC)C(=O)NC[C@H](N)c1ccc(N(C)C)cc1	832279861	MAAIJOIRBIZEOT-LSDHHAIUSA-N	293.411	1.684	10	20	CDCD	
CCC[C@@](C)(N)C(=O)N1CCOc2cc(N(C)C)ccc21	904918366	IPPHNHXHOREUAM-MRXNPFEDSA-N	291.395	1.996	10	20	CDCD	
CN1c2ccccc2C(=O)N[C@@H]1c1cccc(O)c1O	916231912	BAAGWUYAUSEHNO-AWEZNQCLSA-N	270.288	1.976	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)C1(C(=O)C2CC2)CC1	910945368	UAOHUQWTKNSUGB-UHFFFAOYSA-N	275.304	1.473	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C1(N(C)C)CC1	831925229	UBMDGHMSMMRARQ-JTQLQIEISA-N	278.352	1.239	10	20	CDCD	
NCCCN(Cc1ccccc1O)C[C@H]1CCCO1	841018704	OUALEVMZZWEMJP-CQSZACIVSA-N	264.369	1.722	10	20	CDCD	
COc1cccc([C@H](C)NCCNC(=O)C2CC2)c1O	846135053	AJLLGVMANNBJDA-JTQLQIEISA-N	278.352	1.578	10	20	CDCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N[C@@H](C)CO	840481344	IOHKXYGGCNUOPS-OLZOCXBDSA-N	293.411	1.672	10	20	CDCD	
CCC(C)(C)CNC(=O)C(=O)Nc1ccc(N)cc1	841118264	NVWODWRUDVVVQB-UHFFFAOYSA-N	263.341	1.760	10	20	CDCD	
COC(=O)c1cnc(SCC(=O)c2ccnn2C)s1	848438879	JQPPFHCPHRSBCU-UHFFFAOYSA-N	297.361	1.638	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN(C)[C@H]2CCNC2)c1O	843049930	YWPZRYCFOREEAJ-JTQLQIEISA-N	281.312	1.103	10	20	CDCD	
CCc1cccc(CN2CCC[C@H](O)[C@@H]2C(=O)OC)c1O	848905365	JOVHZIDMOXNELV-UONOGXRCSA-N	293.363	1.453	10	20	CDCD	
Oc1ccc(F)cc1CN1CC[C@@]2(CCCN2)C1	841105427	MPTVRRLFWWSBAD-AWEZNQCLSA-N	250.317	1.859	10	20	CDCD	
COc1ccc(N(C)CCN(C)C(=O)CC(C)(C)N)cc1	846696302	FEARGYJDIDBCAY-UHFFFAOYSA-N	293.411	1.717	10	20	CDCD	
CC[C@H](COC)NC[C@@H](N)c1ccc(N(C)C)cc1	841046162	XEJUNLUIWXTUBC-UKRRQHHQSA-N	265.401	1.767	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1CCN(C)C(=O)C1	840917408	JTSAILHPDWRXRW-UHFFFAOYSA-N	261.369	1.335	10	20	CDCD	
CCNCC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	844176430	RLUYTLJBXKMBEW-CYBMUJFWSA-N	291.395	1.310	10	20	CDCD	
COCC[C@@](C)(O)CN[C@@H](C)c1cccc(OC)c1O	846147394	UOKIVUFOFSAXAO-XHDPSFHLSA-N	283.368	1.839	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NOC2CCC2)c1	858510111	ZAWOOEAMCHVLGY-UHFFFAOYSA-N	250.298	1.984	10	20	CDCD	
CN(C)c1ccc(CNC(=O)C[C@H]2CCC(=O)N2C)cc1	854272074	XPDISBOBHCEQDX-CQSZACIVSA-N	289.379	1.380	10	20	CDCD	
N[C@@]12CCC[C@H]1CN(Cc1cc(F)ccc1O)C2	857226575	RQWLKAKLISWQHU-SMDDNHRTSA-N	250.317	1.845	10	20	CDCD	
COc1cccc(CN2C[C@H]3CCC[C@@]3(N)C2)c1O	857226770	ZACXCPIBEHGVTH-IUODEOHRSA-N	262.353	1.714	10	20	CDCD	
C[C@H]1COCCN(C(=O)NCc2ccc(N(C)C)cc2)C1	754020476	AWGLQDWBKNZKET-CYBMUJFWSA-N	291.395	1.931	10	20	CDCD	
CO[C@H](C)[C@@H](C)NC(=O)NCc1cc(C)ccc1O	858469197	NXACLJJHJBDBSF-GHMZBOCLSA-N	266.341	1.923	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN(C)CCOCCN	863651017	GJYRJCBRMBXYTE-UHFFFAOYSA-N	265.401	1.468	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@]1(C)CCOC1	935947942	ILFJZJZRYNFEBH-OAHLLOKOSA-N	284.352	1.921	10	20	CDCD	
C[C@@H](N[C@@H]1COC[C@@H]1O)c1cccc(C(F)(F)F)c1O	866421190	XFNIARFJYCVWQH-ONOSFVFSSA-N	291.269	1.821	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN(C)C[C@@H](C)N)c1O	863651791	NDWXAXWBHSHJHA-MRVPVSSYSA-N	269.301	1.088	10	20	CDCD	
C[C@@H]1CCN(C(=O)C(=O)N(C)Cc2ccccc2O)[C@@H]1C	1117904695	IXHXAEKOLSOXGV-VXGBXAGGSA-N	290.363	1.608	10	20	CDCD	
COC(=O)CC(C)(C)NC(=O)/C=C/c1ccc(O)c(O)c1	779518271	DIVYHIVXXWYZAW-FNORWQNLSA-N	293.319	1.569	10	20	CDCD	
CCN(C)c1ccc(CN2C[C@H]3CNC[C@@H]3C2)cc1	773748080	WBBRZUTWQRLJCT-HUUCEWRRSA-N	259.397	1.794	10	20	CDCD	
C[C@@H]1CCCCN1C(=O)COC(=O)c1cccc(O)c1O	776278779	GFLHDKHSAXYPMI-SNVBAGLBSA-N	293.319	1.656	10	20	CDCD	
Cc1[nH]nc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1O	773747662	CPHGMWRYBDHDRY-ZETCQYMHSA-N	291.307	1.196	10	20	CDCD	
CC[C@H](CO)C(=O)NCc1ccc(N(C)C)c(F)c1	779750429	BZJJUKJFZZVMMH-LLVKDONJSA-N	268.332	1.526	10	20	CDCD	
CC[C@H](C(=O)N[C@H](C)c1ccccc1O)[C@H](C)O	881440448	BRUVHFUVGNXALE-VWYCJHECSA-N	251.326	1.976	10	20	CDCD	
Cc1ccc([C@H](C)NCc2nnc3c(=O)[nH]ccn23)c(O)c1	886704929	UJMFPERCTLAEBK-JTQLQIEISA-N	299.334	1.282	10	20	CDCD	
Cc1cc(Cn2cc(COCCO)nn2)ccc1N(C)C	881379068	XPGQGPKOZNFMKX-UHFFFAOYSA-N	290.367	1.210	10	20	CDCD	
COc1cccnc1CC(=O)NCc1ccccc1O	774065530	OLNLVRQRDGFXKF-UHFFFAOYSA-N	272.304	1.655	10	20	CDCD	
COCC(COC)N[C@H](C)c1c(O)cccc1F	886620693	QEOXOKNCRQGHHL-SECBINFHSA-N	257.305	1.843	10	20	CDCD	
COc1ccc(N2CCN(C[C@H]3CCCO3)CC2)cc1	72710822	RGOFAWFTNVDWGK-MRXNPFEDSA-N	276.380	1.996	10	20	CDCD	
CCO[C@H]1C[C@H]1C(=O)OCC(=O)c1ccc(O)c(O)c1	783046776	NCKRCYOWDGHDQM-RNCFNFMXSA-N	280.276	1.249	10	20	CDCD	
COc1cc(C)cc(CNCCN2CCO[C@H](C)C2)c1O	894241813	MBRDTHBKHFDJFI-CYBMUJFWSA-N	294.395	1.520	10	20	CDCD	
CC[C@H]1CC[C@@H](C(=O)NCCc2ccc(N)cc2)O1	269144335	AMICSNXYZYAMHQ-KBPBESRZSA-N	262.353	1.885	10	20	CDCD	
COc1cccc(CN2[C@@H](C)[C@@H](C)NC(=O)[C@H]2C)c1O	895115301	OWMGVIRRXIAXNY-OUAUKWLOSA-N	278.352	1.498	10	20	CDCD	
CN(Cc1ccccc1O)c1ncc([N+](=O)[O-])cn1	302219194	LMJVGMWPZFWDNM-UHFFFAOYSA-N	260.253	1.727	10	20	CDCD	
COc1cc(C)cc(CN(CCO)C2CC2)c1O	893943985	JPODIHGSYUGANU-UHFFFAOYSA-N	251.326	1.666	10	20	CDCD	
CC[C@H](CCO)CNCc1ccc(OC)c(OC)c1O	893159249	JKJZSZWOWVDKCC-LLVKDONJSA-N	283.368	1.908	10	20	CDCD	
COC[C@H](O)CNCc1c(O)cccc1Br	706804771	QKEZJOPIFHLZAI-MRVPVSSYSA-N	290.157	1.252	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC[C@H]2C[C@H](O)C2)c1	720985094	HIGWFMFFYNCVDC-DCAQKATOSA-N	251.326	1.822	10	20	CDCD	
CON1CCC(NCc2cccc(C)c2O)CC1	692159942	KBBWBXMSZBJGHC-UHFFFAOYSA-N	250.342	1.816	10	20	CDCD	
OCCN1CCN(Cc2ccc(N3CCCC3)cc2)CC1	1253304484	XMMGKWUWRWABQM-UHFFFAOYSA-N	289.423	1.397	10	20	CDCD	
CNC(=O)CCCCC(=O)NCc1ccc(O)c(O)c1	1255334803	ADSOFARPUOQUMY-UHFFFAOYSA-N	280.324	1.020	10	20	CDCD	
CC(C)c1ncc(C(=O)NCc2ccc(O)cc2O)[nH]1	1334213961	JDKVGPHDXSRJCJ-UHFFFAOYSA-N	275.308	1.874	10	20	CDCD	
Cc1cc(C)c(O)c(CN2CCC(OCC(N)=O)CC2)c1	1341113408	UWRHFMQGRHVJIL-UHFFFAOYSA-N	292.379	1.475	10	20	CDCD	
CC[C@@H](O)CCN[C@@H](C)c1cccc(-c2nn[nH]n2)c1O	1604067151	VCYMWRBYXJIHNE-VHSXEESVSA-N	291.355	1.384	10	20	CDCD	
Cc1ccc(C(=O)NC2(CC(=O)O)CC2)c(O)c1O	1600336101	ZEEOLDCSJVAGQM-UHFFFAOYSA-N	265.265	1.143	10	20	CDCD	
O=C(O)c1ccc(C(=O)NCc2c(O)cccc2F)nc1	1608874546	GFDGDGFSJHWYAP-UHFFFAOYSA-N	290.250	1.555	10	20	CDCD	
COC(=O)[C@H](Sc1ncc(C(=O)O)s1)C1CC1	1598712213	OKLFDYXSBSGEHC-SSDOTTSWSA-N	273.335	1.885	10	20	CDCD	
CC[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)O	1593618997	XZYLFVNEQRYHND-RNEXMXFGSA-N	265.265	1.090	10	20	CDCD	
COCCN(CC(=O)O)Cc1cc(F)c(F)cc1O	1593999652	QPKOKJCOUXHCFK-UHFFFAOYSA-N	275.251	1.203	10	20	CDCD	
C[C@H](N[C@H](C)C1(CO)CC1)c1cc(C(=O)O)ccc1O	1593198303	PYLJOFDCPMVUHA-VHSXEESVSA-N	279.336	1.902	10	20	CDCD	
CCc1cccc(CNCCC(=O)NCCC(=O)O)c1O	1597586549	HEWKQNDAFOQNOX-UHFFFAOYSA-N	294.351	1.025	10	20	CDCD	
C[C@@H](O)[C@@H](NCc1c(O)ccc(Cl)c1F)C(=O)O	1776463567	XWFDRJCTAFMLAJ-GPXNAGAYSA-N	277.679	1.108	10	20	CDCD	
CNC(=O)c1ccccc1NC(=O)Cc1ccc(N)cc1	19479442	URXFMRNHHADXPZ-UHFFFAOYSA-N	283.331	1.810	10	20	CDCD	
CCO[C@@H]1C[C@H](NCc2ccccc2O)[C@@H]1OC	169222339	BLSVNOCUBCEFNF-YUTCNCBUSA-N	251.326	1.674	10	20	CDCD	
CCN(CCS(C)(=O)=O)Cc1cc(C)c(C)cc1O	156944289	ULDHYOKCQXHBGM-UHFFFAOYSA-N	285.409	1.876	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2cc(OC)no2)c1	159383142	JWXDCFLBCZDFRZ-UHFFFAOYSA-N	278.264	1.327	10	20	CDCD	
O=C1NC(=S)S/C1=C/c1ccccc1-n1cncn1	8379954	BTJNBOHSZYEOKJ-BJMVGYQFSA-N	288.357	1.756	10	20	CDCD	
CCOc1cccc(CN[C@@H]2CCS(=O)(=O)C2)c1O	19899958	WSWOPARICKAGQD-LLVKDONJSA-N	285.365	1.068	10	20	CDCD	
COc1cc(C(=O)NCc2ccccc2O)ccn1	1324986451	ANGOOVIPJDQQRX-UHFFFAOYSA-N	258.277	1.726	10	20	CDCD	
CCCN1CC[C@H](NC(=O)c2cccc(O)c2O)C1	389661135	BQUBXFXJCGPWLP-JTQLQIEISA-N	264.325	1.312	10	20	CDCD	
CCCN1CC[C@@H](NC(=O)Cc2ccc(N)cc2)C1	389185847	RYERLLFAMDLVOL-CQSZACIVSA-N	261.369	1.412	10	20	CDCD	
Cc1ccc(C(=O)NCCCn2ccnc2)c(O)c1O	177660622	GNHNETGBRLLIGM-UHFFFAOYSA-N	275.308	1.423	10	20	CDCD	
COC(=O)[C@H]1CN(Cc2c(O)cccc2Cl)CCO1	131704733	RSFPLXTYWLCNJE-GFCCVEGCSA-N	285.727	1.419	10	20	CDCD	
Oc1ccc(Br)cc1CN1C[C@H]2CNC[C@@H]2C1	220220219	PPLJFYMCVZVDHQ-GHMZBOCLSA-N	297.196	1.806	10	20	CDCD	
CCNC(=O)[C@@H](C)N[C@H](C)c1cc(F)ccc1O	94617131	KTXIUPQKZAYRGY-RKDXNWHRSA-N	254.305	1.707	10	20	CDCD	
CCCS(=O)(=O)CCN(C)c1ccc(N)cc1	233260162	LPKOOMIUOXCQNO-UHFFFAOYSA-N	256.371	1.530	10	20	CDCD	
Nc1ccc(CCNC(=O)COC[C@H]2CCCO2)cc1	238126162	CIGZHUFGMUXPQX-CQSZACIVSA-N	278.352	1.123	10	20	CDCD	
CNC(=O)CC1CCN(Cc2ccccc2O)CC1	179578418	XVZRUROSXVCTPZ-UHFFFAOYSA-N	262.353	1.740	10	20	CDCD	
CCOc1cccc(CN2CC[C@@H](CO)C2)c1O	92763732	SIRFXFRDQGYCDL-LLVKDONJSA-N	251.326	1.605	10	20	CDCD	
Cc1ccc(O)c(CN2C[C@H](C)O[C@@H](CO)C2)c1	249487165	UOFFQJCDZAOOTM-WCQYABFASA-N	251.326	1.282	10	20	CDCD	
Cc1c(CNC(=O)c2cnn[nH]2)n(C)c2ccccc12	352119653	FYHZBZOJEJFOGB-UHFFFAOYSA-N	269.308	1.535	10	20	CDCD	
Cc1cccc(CN2CCN([C@H]3CCC[C@@H]3O)CC2)c1O	362048112	VLTYXBHZVDDIRU-HOTGVXAUSA-N	290.407	1.732	10	20	CDCD	
COc1ccc(O)c([C@H](C)N[C@H](CO)c2cnn(C)c2)c1	273489338	NXJWIYMFYQTZIA-IINYFYTJSA-N	291.351	1.519	10	20	CDCD	
COC(=O)[C@H](NCc1ccc(OC)c(C)c1)[C@H](C)O	276492870	VUMJQLFEDDMWRS-GXFFZTMASA-N	267.325	1.016	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)NC[C@@H](C)O)c1	273414924	QQYNLWZFHLLOCC-RKDXNWHRSA-N	253.298	1.210	10	20	CDCD	
COC(=O)N1CCC(NC(=O)c2cccc(O)c2O)CC1	278857156	FFXDBYMRFUFNEZ-UHFFFAOYSA-N	294.307	1.058	10	20	CDCD	
CN1CCCc2cc(CNC(=O)[C@H]3C[C@]34CCNC4)ccc21	372449185	YECCAPQAUZDIOE-QAPCUYQASA-N	299.418	1.685	10	20	CDCD	
C[C@H]1C[C@H](C)[C@H](C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)O1	282698977	JSRZQIJIKLYGDQ-BQVMBELUSA-N	293.363	1.959	10	20	CDCD	
CSc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)C(C)=O)c1	808492772	FEYGAEIYPIFAEK-UHFFFAOYSA-N	297.288	1.632	10	20	CDCD	
CCOC1CN(Cc2cc(OC)c(OC)cc2O)C1	297528895	XOAXQAOLPLURNU-UHFFFAOYSA-N	267.325	1.630	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)C1CC(=O)C1	568394780	WEEHBJYUJOTWCC-UHFFFAOYSA-N	274.320	1.457	10	20	CDCD	
CC1=C(C(=O)Nc2ccc(N)cc2)[C@@H](C)n2ncnc2N1C	818556365	OLRWIPWRBHIPEE-SNVBAGLBSA-N	298.350	1.784	10	20	CDCD	
O[C@H](CNc1ccccc1OCC(F)F)Cn1cccn1	819460657	UKVFTUWPYIWHAH-LLVKDONJSA-N	297.305	2.000	10	20	CDCD	
COc1ccc(N2CC[C@@H](CNC(=O)[C@H](C)OC)C2)cc1	819584010	YHOXYHYMMXBICH-STQMWFEESA-N	292.379	1.673	10	20	CDCD	
COC(=O)N(C)CC(=O)N[C@H](C)c1cc(OC)ccc1O	728977968	JGJQWGCHJLYLHD-SECBINFHSA-N	296.323	1.276	10	20	CDCD	
CCC(=O)N1CCN(C(=O)c2ccc(C)c(O)c2O)C1	819671894	TZWYTHQYWHBDEM-UHFFFAOYSA-N	278.308	1.058	10	20	CDCD	
Cc1ccc(/C=C2\SC(=S)N(CC(N)=O)C2=O)s1	727177254	YFJMHBIQKFQWJQ-YWEYNIOJSA-N	298.414	1.743	10	20	CDCD	
C[C@H](Cc1cnn(C)c1)NCc1cc2c(cc1O)OCO2	825045579	HHJZIYOYMMIWBT-SNVBAGLBSA-N	289.335	1.575	10	20	CDCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@H]1C[C@@H](O)C1	823664378	VZPJMOXKYRUMSP-XPKDYRNWSA-N	290.407	1.879	10	20	CDCD	
CCOc1ccc(CN(C)Cc2cn(C)nn2)c(O)c1	827305532	VHANOFWIOHOPOJ-UHFFFAOYSA-N	276.340	1.551	10	20	CDCD	
COc1cc(O)c(CN2C[C@@H](C)[C@@](C)(CO)C2)cc1OC	827700629	WAQAESVXLMTRCN-BDJLRTHQSA-N	295.379	1.860	10	20	CDCD	
Cc1ncc(C(=O)NCc2ccc(N(C)C)c(F)c2)n1C	900434986	VBIDXPGNYGQUDQ-UHFFFAOYSA-N	290.342	1.864	10	20	CDCD	
CC(=O)CCn1cc(CN[C@H](C)c2ccccc2O)nn1	906323897	XHZSBMRXJGZACP-GFCCVEGCSA-N	288.351	1.814	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCO[C@H](C)C1	734687176	MLBWCNFRICIODG-CYBMUJFWSA-N	291.395	1.991	10	20	CDCD	
COC(=O)[C@@H](C)CN(C)C(=O)c1cc(O)cs1	732269198	DTRCUWURRYZWBR-ZETCQYMHSA-N	257.311	1.335	10	20	CDCD	
COc1cc(O)c(CN[C@@H]2CCC[C@H]2O)cc1OC	835080016	JCXUNMUVEHXLPN-GHMZBOCLSA-N	267.325	1.412	10	20	CDCD	
CCOCCC(=O)NC[C@@H](N)c1ccc(N(C)C)cc1	832279601	KLBKUDJNQCJKJJ-CQSZACIVSA-N	279.384	1.295	10	20	CDCD	
O=C(O)C12CC(C(=O)NCc3cc(Cl)ccc3O)(C1)C2	911331286	PJEZXSCTZSZYBM-UHFFFAOYSA-N	295.722	1.917	10	20	CDCD	
C[C@@H](CN)N(C)Cc1cc(Cl)cc([N+](=O)[O-])c1O	843052206	PDPQZEWKLNROCQ-ZETCQYMHSA-N	273.720	1.733	10	20	CDCD	
COc1ccc(O)c(CN[C@@H]2CCNC2(C)C)c1	841085426	CDJQFEYKDUADEL-CYBMUJFWSA-N	250.342	1.631	10	20	CDCD	
COCC[C@@H](CO)NCc1ccc(N(C)C)cc1C	840942361	BZLYHEKFDFOHNN-AWEZNQCLSA-N	266.385	1.548	10	20	CDCD	
CCOc1ccc(O)c(CN2CCNCC2(C)C)c1	843054359	LYACVPNHPHVHLZ-UHFFFAOYSA-N	264.369	1.975	10	20	CDCD	
CN(C)CCN(C)C(=O)NCCc1ccc(N)cc1	841956593	AACVBFDLEOEVOW-UHFFFAOYSA-N	264.373	1.014	10	20	CDCD	
COc1cc(O)c(CN2CC[C@H]3CC[C@@H](C2)N3)cc1OC	843054071	CNJOGAMCHXZXOE-OLZOCXBDSA-N	292.379	1.736	10	20	CDCD	
Cc1cccc(CNCC[C@@]2(O)CCCOC2)c1O	846109335	TYMFMAHRYYEUAH-HNNXBMFYSA-N	265.353	1.722	10	20	CDCD	
CC[C@H](C)NC(=O)[C@@H](C)OC(=O)c1cccc(O)c1O	758563160	UOTFJKFHFLIRRV-DTWKUNHWSA-N	281.308	1.558	10	20	CDCD	
CN1CCC[C@@H](OC(=O)/C=C\c2ccc(O)c(O)c2)C1=O	759596019	SZPBPPMQGBOXBD-SCXUMTSISA-N	291.303	1.275	10	20	CDCD	
C[C@H](N)C[C@H](C)NCc1ccc(N2CCC(O)CC2)cc1	854230368	NYGQKAKHVDGFQE-KBPBESRZSA-N	291.439	1.863	10	20	CDCD	
C[C@H](O)[C@H](O)CN(Cc1ccccc1O)C[C@H]1CCCO1	929973204	YBWUEGKAIHMRKU-JGGQBBKZSA-N	295.379	1.115	10	20	CDCD	
C[C@H](NC/C=C/CO)c1cc([N+](=O)[O-])ccc1O	850510263	WYEFMIMIFDDPJR-HPOULIHZSA-N	252.270	1.500	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NCCn2ccnc2C)c1	858282604	MGPWCUZWBNEHSB-UHFFFAOYSA-N	288.351	1.705	10	20	CDCD	
COCCOCCOC(=O)/C=C\c1ccc(O)c(O)c1	759578309	HFDRDGJLCBUBFP-HYXAFXHYSA-N	282.292	1.317	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@@H]2C[C@H]2C1	856064281	WOOVFYYFXJYGSV-OURHSOLNSA-N	259.305	1.979	10	20	CDCD	
CCc1nc(COC(=O)c2cccc(O)c2O)n[nH]1	758562323	QJYGNUYOZKZZTM-UHFFFAOYSA-N	263.253	1.135	10	20	CDCD	
Cn1[nH]cnc1=NCc1ccc(N2CCCC2)cc1	767295233	IDFHLIUATJZIFL-UHFFFAOYSA-N	257.341	1.449	10	20	CDCD	
CC(C)(C)OC(=O)CCC(=O)NCc1ccc(O)c(O)c1	765425452	VVJKZMMPBYZBEZ-UHFFFAOYSA-N	295.335	1.836	10	20	CDCD	
CCOc1ccc(O)c(CNC[C@]2(OC)CCOC2)c1	763480317	LVZCPWKRTVCJLE-OAHLLOKOSA-N	281.352	1.686	10	20	CDCD	
CC[C@H](C)[C@H](NCc1cc(F)cc(C(C)=O)c1O)C(N)=O	887059114	DMOZVKAOBXSCFO-SDBXPKJASA-N	296.342	1.724	10	20	CDCD	
CCOCCOCCNC(=O)NCc1ccc(N)cc1	1120654367	JBCYJODMDBQAMV-UHFFFAOYSA-N	281.356	1.121	10	20	CDCD	
O=C(CC[C@H]1CCCO1)NCCc1ccc(O)c(O)c1	269226127	RXUMSVZGXJALAS-GFCCVEGCSA-N	279.336	1.716	10	20	CDCD	
C[C@@H]1CN(Cc2ccc(Br)cc2O)C[C@H]1O	897679400	KALAEJQTFKQTFK-PRHODGIISA-N	286.169	1.967	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N2C[C@@H]3C[C@H]2CN3)cc1F	891456520	PAEWQIAOHPVOGW-RYUDHWBXSA-N	292.358	1.147	10	20	CDCD	
COc1ccc(O)c(CN2CCNCC2(C)C)c1	88138030	YCCLCTUPCWQOPU-UHFFFAOYSA-N	250.342	1.585	10	20	CDCD	
COc1ccc(CNC2CCS(=O)(=O)CC2)c(O)c1	40906186	UAYCBBXNOOYLNG-UHFFFAOYSA-N	285.365	1.068	10	20	CDCD	
C[C@@H]1CCNC(=O)[C@H]1NCc1cc(Cl)cc(F)c1O	799737799	NDBPVHMOPQDUDG-HQJQHLMTSA-N	286.734	1.799	10	20	CDCD	
COc1cccc(O)c1CNc1ccc(-n2cncn2)cn1	791004001	PQACXTCXQAJVQB-UHFFFAOYSA-N	297.318	1.989	10	20	CDCD	
CC(=O)NCCC1=CCN(c2ccc3nccnc3n2)CC1	1089802698	UNQGEKOIISMBPA-UHFFFAOYSA-N	297.362	1.688	10	20	CDCD	
COc1cccc(O)c1CN1C[C@H](C)C[C@@H](C(=O)O)C1	1604870818	BVGSBYANRIDCEH-GHMZBOCLSA-N	279.336	1.943	10	20	CDCD	
CN(C)c1ccc(CNC(=O)C(=O)N[C@H]2CC2(C)C)cc1	1327574354	TYTKPQGDFSWRKC-ZDUSSCGKSA-N	289.379	1.284	10	20	CDCD	
CC1=NO[C@@](C)(C(=O)NCCc2ccc(O)c(O)c2)C1	1353619875	UCWNYKDIFGDPNH-CQSZACIVSA-N	278.308	1.311	10	20	CDCD	
C[C@@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)C(=O)O	1589131193	DMNUKZHIRVOEKW-SNVBAGLBSA-N	296.342	1.350	10	20	CDCD	
C[C@H](NC[C@@H]1C[C@H]1C)c1cccc(-c2nn[nH]n2)c1O	1589978577	OWWOJUCPTVUBNP-UTLUCORTSA-N	273.340	1.879	10	20	CDCD	
CO[C@@]1(CN[C@@H](C)c2ccc(F)cc2O)CCOC1	123284396	ZFJCQGSPRHEQRK-IINYFYTJSA-N	269.316	1.987	10	20	CDCD	
O=C1NC(=S)S/C1=C/c1ccc(C(=O)O)c(O)c1	1777698938	PIBZEZGSZONHAB-XBXARRHUSA-N	281.314	1.579	10	20	CDCD	
CCC[C@@](C)(O)C(=O)NCc1cccc(OC)c1O	159749655	NXRUDNXDJIZLRH-CQSZACIVSA-N	267.325	1.568	10	20	CDCD	
Cc1c(C(=O)N(C)Cc2ccccc2O)cnn1C	125292056	VVFOIZBSUPIIBE-UHFFFAOYSA-N	259.309	1.706	10	20	CDCD	
CC[C@@H](NC[C@@H]1CCCNC1=O)c1ccccc1O	838911907	BSIAGQJKUAXLQK-WCQYABFASA-N	262.353	1.959	10	20	CDCD	
COC(=O)N1CCN(Cc2ccc(C)cc2O)CC1	876625935	JJLFANIVWHBXTA-UHFFFAOYSA-N	264.325	1.585	10	20	CDCD	
Cc1ccc(CNC[C@]2(O)CCSC2)c(O)c1	877082195	NOVRRRAROXVVSI-CYBMUJFWSA-N	253.367	1.658	10	20	CDCD	
COc1ccc(N(C)C[C@@]2(OC)CCOC2)cc1	877609069	FIRATYFZZAHYLP-AWEZNQCLSA-N	251.326	1.937	10	20	CDCD	
CC[C@@H](C)C[C@H](NC(=O)Cc1ccc(N)cc1)C(=O)O	400408825	XGUGQUVNEKQLNC-MFKMUULPSA-N	278.352	1.817	10	20	CDCD	
Cc1cccc(O)c1CN1CCO[C@H](CC(=O)O)C1	1600543433	WKQDDHUVPSUVAX-LLVKDONJSA-N	265.309	1.376	10	20	CDCD	
COc1ccc(N2CCC(NC(=O)N(C)C)CC2)cc1	171057456	MXAOBZJRUJIRIU-UHFFFAOYSA-N	277.368	1.935	10	20	CDCD	
C[C@@]1(C(=O)O)CCCN1C(=O)c1cccc(O)c1O	126038024	GGLYBTXECOEJMI-ZDUSSCGKSA-N	265.265	1.177	10	20	CDCD	
COc1ccc(N2CCC(N[C@@H](C)CO)CC2)cc1	127571498	CXYHUSJZUVYDJU-LBPRGKRZSA-N	264.369	1.634	10	20	CDCD	
COc1ccc(O)c(CN2CCC[C@H](CC(N)=O)C2)c1	180560515	DFGKIVLVGIINMA-LLVKDONJSA-N	278.352	1.488	10	20	CDCD	
NCCCCCCC(=O)NCc1ccccc1O	228423651	MGXQZCQPWYQQHQ-UHFFFAOYSA-N	250.342	1.918	10	20	CDCD	
COc1cccc(CNc2ncnc3[nH]cnc23)c1O	91479414	CZNHDIGYWBRFEK-UHFFFAOYSA-N	271.280	1.679	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2CCC[C@@](C)(O)C2)c1O	278261266	QMIBBYPFLSFQBA-CQSZACIVSA-N	296.323	1.656	10	20	CDCD	
COC[C@H](CCO)N[C@H](C)c1cc(C(=O)OC)ccc1O	273371109	CLZIQNNOSNZIRP-PWSUYJOCSA-N	297.351	1.227	10	20	CDCD	
CCOc1ccc(O)c(CN2CCN3C(=O)OC[C@@H]3C2)c1	371338123	YRQSFDFBFBCNSZ-LBPRGKRZSA-N	292.335	1.427	10	20	CDCD	
COc1ccc(N2CCN(C(=O)[C@H](O)C(C)C)CC2)cc1	285152937	OVEJHZVMDTZHFW-OAHLLOKOSA-N	292.379	1.361	10	20	CDCD	
CCOCC1(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)CC1	282249387	JMHYHXYRLPOXLN-NSHDSACASA-N	293.363	1.962	10	20	CDCD	
CCOc1ccc(O)c(CNCc2nonc2C)c1	809744577	SACNQRKVQQPVPL-UHFFFAOYSA-N	263.297	1.772	10	20	CDCD	
C/C=C/C[C@@H](CO)NC(=O)c1c(F)ccc(O)c1O	294938197	HZMMMDCTPKEQPQ-SGJFDWMWSA-N	269.272	1.294	10	20	CDCD	
CC[C@H](N[C@@H](CO)COC)c1ccc(F)cc1O	290076157	GMOSFRRARKXJMD-JQWIXIFHSA-N	257.305	1.579	10	20	CDCD	
CCOC[C@@H](O)CSc1ncc(C(=O)OC)s1	296369347	VPKRYQHVNDHTHP-SSDOTTSWSA-N	277.367	1.419	10	20	CDCD	
Oc1ccc(F)cc1CN1CCOCC(F)(F)C1	290226233	SJCUUUGCAGPXDZ-UHFFFAOYSA-N	261.243	1.999	10	20	CDCD	
C[C@H](NC(=O)Nc1cnnn1C)c1ccc(N(C)C)cc1	809901072	LTTFENLLSUPVTE-JTQLQIEISA-N	288.355	1.764	10	20	CDCD	
CCN(CC(=O)NC)Cc1cc(Cl)c(C)cc1O	824561053	QBDVZMVDXOGABC-UHFFFAOYSA-N	270.760	1.922	10	20	CDCD	
O=C(NCCCSc1nccs1)N[C@@H]1CC[C@H]1O	824434319	NQBGOSSRWHKQCW-RKDXNWHRSA-N	287.410	1.448	10	20	CDCD	
C[C@H](Cn1cncn1)NCc1cc(Cl)ccc1O	725848958	DWUFKIVEBPMXSQ-SECBINFHSA-N	266.732	1.815	10	20	CDCD	
C[C@H](O)CN(C)Cc1ccc(Br)cc1O	825502393	XBXJQXJXOUMNCF-QMMMGPOBSA-N	274.158	1.967	10	20	CDCD	
COc1cc(O)c(CNC[C@H](O)C2CCC2)cc1OC	825240193	IWUGUHVMLFNHMN-ZDUSSCGKSA-N	281.352	1.660	10	20	CDCD	
CC[C@H](NCc1c(O)ccc(Cl)c1F)C(=O)NC	825315514	COWSOOMIDHPCCC-VIFPVBQESA-N	274.723	1.799	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)NCc1nccn1C	728753862	YDWIFIUGELUWGR-UHFFFAOYSA-N	274.324	1.467	10	20	CDCD	
Cc1cc(O)c(CN[C@@]2(CO)CCOC2)cc1Cl	825509596	NYSZAJSAJFAYSS-CYBMUJFWSA-N	271.744	1.595	10	20	CDCD	
CO[C@H](CS(=O)(=O)NCc1ccccc1O)C(C)C	827188488	ZDJTXHVEBZBQDI-CYBMUJFWSA-N	287.381	1.483	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CCNC(=O)O	737476660	MGZVOQSFXANMCA-UHFFFAOYSA-N	279.340	1.369	10	20	CDCD	
CCCNC(=O)[C@@H](C)OC(=O)c1cc(O)cs1	731912282	TYAWVTAARSRIPR-SSDOTTSWSA-N	257.311	1.525	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CC[C@H](O)C2)c1O	61711088	SANIVBQHUCDKFF-NSHDSACASA-N	253.273	1.301	10	20	CDCD	
CO[C@@H](C(=O)NCc1ccc(O)cc1O)C1CCCC1	910942942	IVCRAENFTWJBHO-CQSZACIVSA-N	279.336	1.919	10	20	CDCD	
Cc1nc([C@@H]2CCCN(C(=O)Cc3ccc(N)cc3)C2)n[nH]1	831336817	CXTQJZSRVKRHDY-CYBMUJFWSA-N	299.378	1.644	10	20	CDCD	
Cc1ccc(C(=O)N2CCC[C@H]2c2ncon2)c(O)c1O	848114936	VGMUPLHTORDTNN-JTQLQIEISA-N	289.291	1.767	10	20	CDCD	
CCCN(Cc1ccccc1O)C[C@@](C)(O)CNC	846218395	MZRPAQFKWMSSTM-HNNXBMFYSA-N	266.385	1.575	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2[C@H]3CNC[C@H]32)c1	843490082	XMJYNXIEYFCEQL-HDRXNWCYSA-N	276.336	1.043	10	20	CDCD	
COC(=O)C(C)(C)CCNCCc1ccc(N)cc1	841038639	MUCKBVSGUJKADT-UHFFFAOYSA-N	264.369	1.990	10	20	CDCD	
COCCN1C(=O)C2(CC2)N[C@@H]1c1cc(C)c(C)cc1O	840838251	ZHSKOPAXXYSJFW-AWEZNQCLSA-N	290.363	1.618	10	20	CDCD	
Oc1c(F)cc(Cl)cc1CNC[C@H]1CNCCCO1	841087780	WNHKNZHLKBYVST-LLVKDONJSA-N	288.750	1.653	10	20	CDCD	
CCN1C[C@@H](CN[C@H]2CCc3cccc(O)c32)CC1=O	846208380	JBLJNJMBDRKVQW-YPMHNXCESA-N	274.364	1.838	10	20	CDCD	
C[C@@H](O)[C@@H](CO)NCc1c(O)ccc(Cl)c1F	842226748	ZHPLNFAZKMTDDI-HZGVNTEJSA-N	263.696	1.016	10	20	CDCD	
CCn1ccc(CC(=O)NCc2ccc(N)cc2)n1	846299325	XDSTXDHRMGRMME-UHFFFAOYSA-N	258.325	1.344	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCC(=O)C1	843851519	NGSLLWPXYIGRRG-GXSJLCMTSA-N	277.320	1.514	10	20	CDCD	
CN(C)c1ccc(CNCCO[C@@H]2CCOC2)cc1F	922938101	LONLWJDQPQOOHP-CYBMUJFWSA-N	282.359	1.787	10	20	CDCD	
CO[C@@H](C)CNC(=O)NCc1cc(Cl)ccc1O	852531544	QCVYJTKOQNJCQE-QMMMGPOBSA-N	272.732	1.880	10	20	CDCD	
CNC[C@H](C)NC(=O)N[C@H](C)c1cc(OC)ccc1O	851681021	LYBKIFXPRLSZBD-VHSXEESVSA-N	281.356	1.369	10	20	CDCD	
CC(=O)N1CC[C@@H](NCc2cc(Cl)c(F)cc2O)C1	857067561	AKAQVSHEBSFUPI-SNVBAGLBSA-N	286.734	1.895	10	20	CDCD	
CCO[C@H]1COCC[C@H]1NCc1cc(F)ccc1O	761222168	IMCWPUUSELAHHU-OCCSQVGLSA-N	269.316	1.815	10	20	CDCD	
O=[N+]([O-])c1ccc(O)c(CN[C@H]2CCC[C@@H]2O)c1	865736513	IGKCYEGNWQGYJO-JQWIXIFHSA-N	252.270	1.303	10	20	CDCD	
CC(=O)c1cc(F)cc(CN(C)[C@]2(CO)CCOC2)c1O	763882452	UFAKTNSAUQGOJA-HNNXBMFYSA-N	297.326	1.317	10	20	CDCD	
CCOC(=O)[C@@H]1C[C@H]1C(=O)NCc1ccc(OC)cc1O	935770939	MFUIQPXIZOPSKX-VXGBXAGGSA-N	293.319	1.216	10	20	CDCD	
Oc1cccc(Br)c1CN1CC[C@@H](O)C1	862217162	YOZBXZNEABWZMD-MRVPVSSYSA-N	272.142	1.721	10	20	CDCD	
CNC(=O)[C@H]1CCC[C@@H]1NCc1cc([N+](=O)[O-])ccc1O	765798974	WTDFWOLKRBFOMY-RYUDHWBXSA-N	293.323	1.305	10	20	CDCD	
Cc1ccc(CNCCN2CCOCC2(C)C)c(O)c1	877147891	CUFKRXNWTQALNP-UHFFFAOYSA-N	278.396	1.901	10	20	CDCD	
COC(=O)C[C@@H]1CN(Cc2c(C)cccc2O)CCO1	876746635	MKIWMSFXRJKOOW-GFCCVEGCSA-N	279.336	1.465	10	20	CDCD	
C[C@H]1COCCN(C(=O)/C=C\c2ccc(O)c(O)c2)C1	779542845	SWNYQHVSXDLURN-USEMIUTHSA-N	277.320	1.606	10	20	CDCD	
C[C@H](NC[C@@H](O)COCC1CC1)c1c(O)cccc1F	886519051	MWBKVJNBJTXVSO-CMPLNLGQSA-N	283.343	1.969	10	20	CDCD	
O=C(OCCOCC(F)F)c1cc(O)cs1	787705507	ZLVAYIZBBWSJSR-UHFFFAOYSA-N	252.238	1.892	10	20	CDCD	
Cc1nn(C)cc1C(=O)OCC(=O)c1ccc(O)c(O)c1	783670161	OOWWBKVLMXXGEB-UHFFFAOYSA-N	290.275	1.179	10	20	CDCD	
COc1ccc(CNC(=O)[C@@H](N)CC2CC2)c(O)c1	884335655	YWZYSLIZWLBJSI-LBPRGKRZSA-N	264.325	1.144	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CNCC2(C)C)c1	884310346	VRAOENWPGFRPRX-GXFFZTMASA-N	292.379	1.824	10	20	CDCD	
Cc1ccc(C(=O)NC[C@@H]2COC(C)(C)O2)c(O)c1O	780971141	ZHZGVAZAXDNWPR-SECBINFHSA-N	281.308	1.288	10	20	CDCD	
COc1ccc(CN2C[C@H](OC)[C@H](OC)C2)c(O)c1OC	894004952	DJBSEIMGXJWKCQ-BETUJISGSA-N	297.351	1.255	10	20	CDCD	
CC(C)C(=O)NCCNCc1cc(F)cc(F)c1O	708517467	PYCYGMUXWGZIGY-UHFFFAOYSA-N	272.295	1.532	10	20	CDCD	
O=C(N[C@H]1CCCC2(C1)OCCO2)c1cccc(O)c1O	715587001	BSJNRPZFPXXKMU-JTQLQIEISA-N	293.319	1.513	10	20	CDCD	
COc1ccc(CNC(=O)NC2CCN(C)CC2)c(O)c1	792790479	RGWZUIKJMVLGIK-UHFFFAOYSA-N	293.367	1.294	10	20	CDCD	
Cc1cc(C)nc(N2CCN(Cc3ccc(N)cc3)CC2)n1	1345160416	VMRHWPWDTRVDBS-UHFFFAOYSA-N	297.406	1.998	10	20	CDCD	
Nc1ccc(CNC(=O)c2cnn([C@H]3CCCNC3)c2)cc1	1342023067	RZQBLGPPWKGESP-HNNXBMFYSA-N	299.378	1.320	10	20	CDCD	
Oc1cc2c(cc1CNCCN1CCSCC1)OCO2	226247239	RJSXTLLUFXNMEP-UHFFFAOYSA-N	296.392	1.259	10	20	CDCD	
O=C(O)C1(CNCc2ccc(F)c(F)c2O)CC1	1608571148	UYCCJGQUSUAUSR-UHFFFAOYSA-N	257.236	1.625	10	20	CDCD	
CCOc1ccc(O)c(CN[C@]2(CC(=O)O)CCOC2)c1	1610043647	YFTLCQRRVUGCNJ-HNNXBMFYSA-N	295.335	1.514	10	20	CDCD	
C[C@@H](N)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	157311785	OTJPBFAIXCMAKA-YPMHNXCESA-N	278.352	1.247	10	20	CDCD	
O=C(NCc1cccc(O)c1)c1cccc(O)c1O	126572823	RMEKREILNUKLKN-UHFFFAOYSA-N	259.261	1.733	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1ncc[nH]1	854325070	XIFAOWRMFSHLSB-UHFFFAOYSA-N	258.325	1.748	10	20	CDCD	
COCCN(C)CCNCc1c(C)cccc1O	876996435	VDMZRZNGHOCGLE-UHFFFAOYSA-N	252.358	1.368	10	20	CDCD	
CN(Cc1cc(F)cc(F)c1O)C[C@H]1COCCO1	895259248	JDDKNHZRDYMXQD-NSHDSACASA-N	273.279	1.518	10	20	CDCD	
C[C@H](NCc1cnnn1C)c1cc(F)ccc1O	287459540	VQDJJQUWMVRMCT-QMMMGPOBSA-N	250.277	1.511	10	20	CDCD	
CCOc1cccc(CN2CCS(=O)(=O)C[C@@H]2C)c1O	179771523	KEBPVLGECQUOBG-NSHDSACASA-N	299.392	1.410	10	20	CDCD	
C[C@H](NCCCC(=O)N(C)C)c1ccccc1O	183460800	YVLSSQDPXIGBMH-NSHDSACASA-N	250.342	1.911	10	20	CDCD	
CCc1cccc(CNC[C@@]2(O)CCO[C@@H]2C)c1O	691439544	ZHVPDSLWVAPNLX-ABAIWWIYSA-N	265.353	1.584	10	20	CDCD	
O=C(O)c1ccc(C(=O)NCc2ccccc2O)[nH]1	1602323189	WNHXKNDDWDKSRF-UHFFFAOYSA-N	260.249	1.349	10	20	CDCD	
CCO[C@@H]1C[C@H]1C(=O)NCc1cc(OC)ccc1O	172042438	QMJLFQIPRCHEHI-DGCLKSJQSA-N	265.309	1.442	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2cc(C)n[nH]2)c1	114541008	USIHIPRSVIJITA-UHFFFAOYSA-N	261.281	1.362	10	20	CDCD	
CC(C)NC(=O)CN(C)Cc1ccc(N(C)C)cc1	120118373	KELOICITHADHES-UHFFFAOYSA-N	263.385	1.709	10	20	CDCD	
COCCN(CC(=O)OC)Cc1cccc(Cl)c1O	180254163	UROFBIOMNMQDJR-UHFFFAOYSA-N	287.743	1.667	10	20	CDCD	
COC(=O)[C@@H]1[C@@H](O)CCCN1Cc1cc(F)ccc1O	188787885	YPGUNYQQPGBQBA-STQMWFEESA-N	283.299	1.030	10	20	CDCD	
CCc1cc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)[nH]n1	186421004	AKHYMNWXSABAFY-SECBINFHSA-N	289.335	1.744	10	20	CDCD	
Cc1cc(O)ccc1NS(=O)(=O)c1cn[nH]c1C	80357846	QMDGEUKNIYKTSH-UHFFFAOYSA-N	267.310	1.533	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)CCC(C)=O)c1	192968570	MPNNKTXAKFRASY-SNVBAGLBSA-N	265.309	1.947	10	20	CDCD	
CN(C)c1ccc(CN(CC(N)=O)C(C)(C)C)cc1	93759095	UKOQSYNRWWSYEV-UHFFFAOYSA-N	263.385	1.838	10	20	CDCD	
CS(=O)(=O)C1(CN[C@H]2CCc3cccc(O)c32)CCC1	296391313	JVAYBLLZVZTXKE-LBPRGKRZSA-N	295.404	1.936	10	20	CDCD	
Cc1ccc(O)c([C@H](C)NC[C@H]2COCCN2)c1	530223202	HFJFPOPZCRZGPN-RYUDHWBXSA-N	250.342	1.340	10	20	CDCD	
CC[S@](=O)CC(=O)NCc1ccc(N2CCCC2)cc1	279219259	OTLRXBRBBBUFPQ-FQEVSTJZSA-N	294.420	1.672	10	20	CDCD	
Cc1cccc(CN2CCN(C(C)(C)C(N)=O)CC2)c1O	271759014	DGHFEXNJDJSDSE-UHFFFAOYSA-N	291.395	1.082	10	20	CDCD	
COc1cccc(CNC(=O)CCc2c[nH]cn2)c1O	280034112	UZRHQIYVKDRESC-UHFFFAOYSA-N	275.308	1.373	10	20	CDCD	
CN(Cc1ccccc1O)C[C@@H]1CCCS(=O)(=O)C1	284104556	MRFSBQYDQCMQJG-LBPRGKRZSA-N	283.393	1.649	10	20	CDCD	
CC(C)(C)n1ncnc1CNC(=O)c1cc(O)cs1	800700089	RFWPKFOOAILOJJ-UHFFFAOYSA-N	280.353	1.730	10	20	CDCD	
CNC(=O)C1CN(Cc2c(O)cccc2Cl)C1	297506720	WSZVNKJEBPAIQB-UHFFFAOYSA-N	254.717	1.223	10	20	CDCD	
CN(C[C@@H]1CCCN1C)C(=O)/C=C/c1ccc(O)c(O)c1	817676301	CXTAXASIWIERBJ-CFNZNRNTSA-N	290.363	1.664	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cnns1	819756311	RXEGJAFZDMPJHD-UHFFFAOYSA-N	284.337	1.659	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2C[C@@H](C)C[C@@H](O)C2)c1O	825316938	YVXWABFVJJWASW-GXSJLCMTSA-N	296.323	1.512	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2cccc[n+]2[O-])c1	728977600	AXBHXPMKZBBFLR-SNVBAGLBSA-N	288.303	1.525	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@H](O)CCSC)c1	827304261	VUBWBFIIBPAQGE-TVQRCGJNSA-N	299.392	1.692	10	20	CDCD	
C[C@H]1NCC[C@H]1C(=O)NCc1ccc(N2CCCC2)cc1	827004324	FFCVNCJGBRQLSD-CZUORRHYSA-N	287.407	1.901	10	20	CDCD	
Oc1c(F)cccc1CN1C[C@@H]2CCNC[C@@H]2C1	904420449	OUTWGUHEIWKWSK-CMPLNLGQSA-N	250.317	1.573	10	20	CDCD	
COC(=O)CCCC(=O)NCc1ccc(O)c(O)c1	821070983	RRGIQGHOCACVCK-UHFFFAOYSA-N	267.281	1.057	10	20	CDCD	
CN1CCN(c2ccc(CNCC3(N)CC3)cc2)CC1	904449093	GFEFGYGNOVRIMA-UHFFFAOYSA-N	274.412	1.019	10	20	CDCD	
C[C@@H](O)CNC[C@H](c1ccc(N(C)C)cc1)N(C)C	905703277	HKSAPIVTIRQPIZ-IUODEOHRSA-N	265.401	1.326	10	20	CDCD	
CCCN(C)CC(=O)NCc1cccc(OC)c1O	730282025	BHZPQRFGPQCBAC-UHFFFAOYSA-N	266.341	1.359	10	20	CDCD	
COc1cccc([C@H](C)N[C@@H]2COCC[C@H]2OC)c1O	903297819	YGUHEDDQZQIDON-CYZMBNFOSA-N	281.352	1.855	10	20	CDCD	
COc1ccc(N(C)CCN(C)c2nnc(C)n2C)cc1	846294964	IDKXOAOHLCDOMP-UHFFFAOYSA-N	289.383	1.705	10	20	CDCD	
CCNCCNCc1cc(Cl)cc(OC)c1O	841037721	UEDJQGPWLGHZKD-UHFFFAOYSA-N	258.749	1.753	10	20	CDCD	
C[C@@H]1CCN(Cc2cc3c(cc2O)OCO3)C[C@H]1C(=O)O	843039108	AVDKFNQONWHMMK-MWLCHTKSSA-N	293.319	1.664	10	20	CDCD	
COc1cccc(CNC(=O)C[C@@H](C)n2ccnc2)c1O	845832619	FKJXYPOPFPTCPP-LLVKDONJSA-N	289.335	1.865	10	20	CDCD	
C[C@@H]1OCC[C@H]1NC[C@H](N)c1ccc(N(C)C)cc1	841045716	OTJMIFVVWQPSAE-TUKIKUTGSA-N	263.385	1.519	10	20	CDCD	
CCOC(=O)CCN(C(=O)c1cccc(O)c1O)C(C)C	848350014	NFJBZLYJODLING-UHFFFAOYSA-N	295.335	1.902	10	20	CDCD	
CCNC(=N)NC[C@H]1CCN(c2ccc(OC)cc2)C1	849044160	WZPCVBNEWZAULY-GFCCVEGCSA-N	276.384	1.655	10	20	CDCD	
COc1ccc(N(C)CCN(C)C[C@@H](O)CSC)cc1	844402291	SEPUCMREHXHORY-CQSZACIVSA-N	298.452	1.787	10	20	CDCD	
[N-]=[N+]=NCc1ccc(C(=O)N[C@@H]2CCS(=O)(=O)C2)o1	1537962744	XRLVPKVMSYJVFL-SSDOTTSWSA-N	284.297	1.007	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@]2(C)CCOC2)cc1	754034190	BPEKKINAUBGZRN-OAHLLOKOSA-N	262.353	1.795	10	20	CDCD	
C[C@@H](NCc1ccc(N2CCOCC2)cc1)C1(CO)CC1	850360057	AEAMISXGFIVISC-CQSZACIVSA-N	290.407	1.774	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc[n+]([O-])c1	753640913	UKGPYLDBSUIOAQ-JTQLQIEISA-N	288.303	1.092	10	20	CDCD	
O=C1CN(Cc2cc(F)ccc2O)CN1CC(F)(F)F	754154470	PCOZFRSXGAYAQF-UHFFFAOYSA-N	292.232	1.695	10	20	CDCD	
NCc1ccc2c(c1)CCCN2C[C@]12CNC[C@H]1C2	853246586	NABKRQMAFFVZFP-ZBFHGGJFSA-N	257.381	1.507	10	20	CDCD	
CN1C[C@@H](N(C)C(=O)c2cc(O)cs2)CCC1=O	854635805	WHLDGGQEBYSSJD-QMMMGPOBSA-N	268.338	1.147	10	20	CDCD	
CCN1C[C@H](C(=O)NCc2cc(C)ccc2O)CC1=O	862759912	MUDLTKILXGHRJT-GFCCVEGCSA-N	276.336	1.185	10	20	CDCD	
CCNC(=O)N1CCN(c2ccc(OC)cc2OC)CC1	864416812	KYLSEAICLYVRFC-UHFFFAOYSA-N	293.367	1.555	10	20	CDCD	
CN(Cc1cc2c(cc1O)OCO2)CC1(O)CCC1	761218322	AZWRBRGWGAGRDV-UHFFFAOYSA-N	265.309	1.468	10	20	CDCD	
Cc1ccc(O)c(CN2CCC(OCCO)CC2)c1	769537582	MMXNUIRDPBCXGV-UHFFFAOYSA-N	265.353	1.674	10	20	CDCD	
CN(C(=O)CCc1cnn(C)c1)c1ccc(N)cc1	877077419	HQOWYXLBCCPLNH-UHFFFAOYSA-N	258.325	1.598	10	20	CDCD	
CCc1nnc(COC(=O)/C=C/c2ccc(O)c(O)c2)o1	772769706	PUGFQUFUNMNWEM-GQCTYLIASA-N	290.275	1.800	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)C2(O)CCOCC2)c1	773408109	QJXROBNDTJQDNQ-JTQLQIEISA-N	295.335	1.120	10	20	CDCD	
CO[C@@H](C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)C(C)C	773761240	HGKONRBXIXDUIY-IINYFYTJSA-N	281.352	1.816	10	20	CDCD	
COCCCOCC(=O)NCc1cc(OC)ccc1O	775779588	CRXUXZLGCLXSFS-UHFFFAOYSA-N	283.324	1.070	10	20	CDCD	
Cc1cccc(O)c1CN[C@@H](C)[C@@H]1CN(C)CCO1	877099265	DUXVZDYOIDJVLG-WFASDCNBSA-N	264.369	1.509	10	20	CDCD	
CN1CCN(c2ccc(CNC3(C)COC3)cc2)CC1	877691966	YSSFUURDUITRFF-UHFFFAOYSA-N	275.396	1.317	10	20	CDCD	
Cc1n[nH]cc1CNCc1ccc(N2CCN(C)CC2)cc1	776207746	KIKAREJQEXHRQY-UHFFFAOYSA-N	299.422	1.760	10	20	CDCD	
CC(C)[C@@](C)(O)C(=O)N(C)Cc1ccccc1O	771408185	QKEKODNLJHQLPX-CQSZACIVSA-N	251.326	1.758	10	20	CDCD	
CC(=O)c1cc(Cl)cc(Cn2cc([C@H](C)O)nn2)c1O	880999346	LRGCEYLROPWZEC-QMMMGPOBSA-N	295.726	1.941	10	20	CDCD	
COc1ccc(CN[C@H]2C(=O)NCC[C@@H]2C)c(O)c1OC	894255461	ZDSPNDCBRUUGHA-JOYOIKCWSA-N	294.351	1.024	10	20	CDCD	
OC[C@]12C[C@H]1CN(Cc1cc(Cl)ccc1O)C2	783747086	ZSESDZQKRZGXEX-GXFFZTMASA-N	253.729	1.860	10	20	CDCD	
COc1ccc(CNCC[C@@H](C)N(C)C)c(O)c1OC	895427232	CAZNCSIVWQTPFZ-LLVKDONJSA-N	282.384	1.839	10	20	CDCD	
O=C(Nc1cnn(-c2ccccn2)c1)c1cccc(O)c1O	790768566	TUASFTWDFCCOOP-UHFFFAOYSA-N	296.286	1.931	10	20	CDCD	
Oc1c(F)cc(F)cc1CNC[C@H]1COCCO1	708440656	DITYNSORUDBKDP-JTQLQIEISA-N	259.252	1.175	10	20	CDCD	
C[C@H](CC(=O)O)CC(=O)NCc1ccc(N(C)C)cc1	61835313	SZAOEASDLUKJDI-NSHDSACASA-N	278.352	1.870	10	20	CDCD	
COc1ccc(S(=O)(=O)Nc2ccc(O)cc2)cn1	795276204	MBKXRKWKOHXODF-UHFFFAOYSA-N	280.305	1.597	10	20	CDCD	
CC[C@H](C)[C@H](N)C(=O)NCc1ccc(N(C)C)cc1	40825831	XWJCIWMZQUDNME-FZMZJTMJSA-N	263.385	1.742	10	20	CDCD	
C[C@@H]1C[C@@H](NC(=O)NCc2ccc(N)cc2)CCN1C	1338731338	GTVDRNTVJDWDAL-RISCZKNCSA-N	276.384	1.551	10	20	CDCD	
O=C(O)C[C@@H](CNC(=O)NCc1ccccc1O)C1CC1	1608666579	LPXBRQFIUDVQEE-LBPRGKRZSA-N	292.335	1.692	10	20	CDCD	
O=S1(=O)CCC[C@@H]1CNCc1cc(F)ccc1O	226617021	HWCJROXEKMIAGW-LLVKDONJSA-N	273.329	1.198	10	20	CDCD	
C[C@@H](NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)O)O1)c1ccccc1O	1599839906	SUIBYOXWFKWOGL-NRMKKVEVSA-N	293.319	1.448	10	20	CDCD	
COC(=O)CCCN(C)c1ccc(OCC(=O)O)cc1	1598852389	RVGSYQMWAVMOFY-UHFFFAOYSA-N	281.308	1.539	10	20	CDCD	
CCC[C@@](C)(NC(=O)c1cc(O)cs1)C(=O)O	1595552852	GOBYPWKGUQLNLN-LLVKDONJSA-N	257.311	1.827	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(C)(C)C(=O)O	843329456	KAEDFOHGHKSMMB-UHFFFAOYSA-N	278.352	1.822	10	20	CDCD	
C[C@H]1C[C@@H](NCc2cc3c(cc2O)OCO3)CO1	402350489	SDEZYRVTSMCDNH-WCBMZHEXSA-N	251.282	1.388	10	20	CDCD	
CNC1(C(=O)NCc2ccc(N(C)C)cc2)CCC1	388709199	XDCYRDJSMZHEHI-UHFFFAOYSA-N	261.369	1.511	10	20	CDCD	
CCNC(=O)[C@H](C)N[C@H](C)c1ccc(F)cc1O	62745939	IQPZNEMIJJTMKQ-BDAKNGLRSA-N	254.305	1.707	10	20	CDCD	
CCN(CCC(=O)OC)C(=O)c1cccc(O)c1O	126732655	TYCPFWCZEHOROW-UHFFFAOYSA-N	267.281	1.123	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)[C@]2(F)CCNC2)cc1	178712773	GKWVDQVCCSHJSI-INIZCTEOSA-N	293.386	1.851	10	20	CDCD	
COC[C@@H](NC(=O)NCc1ccc(N(C)C)cc1)C1CC1	122846591	BMZCWFSEKNCWHL-OAHLLOKOSA-N	291.395	1.977	10	20	CDCD	
C[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1CO	189432308	JYBZZJLPNIWSJS-BIZURNDZSA-N	277.320	1.340	10	20	CDCD	
CCN(CC(N)=O)Cc1ccc(N(CC)CC)c(F)c1	188066923	MAYFYGFCOHDDPU-UHFFFAOYSA-N	281.375	1.979	10	20	CDCD	
Oc1cc2c(cc1CN1CCOC3(CCC3)C1)OCO2	129772467	JZKKUFRAMIWCPD-UHFFFAOYSA-N	277.320	1.876	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)c(O)c1O	182583005	DAIWXOMGYKHBBA-GHMZBOCLSA-N	290.363	1.761	10	20	CDCD	
Cc1cc(O)ccc1NS(=O)(=O)C[C@H]1CCCO1	80357946	RXKJXWOZRLGJFP-LLVKDONJSA-N	271.338	1.621	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](O)c1cccnc1	264750976	SLZRIGWBGKLCPR-MRXNPFEDSA-N	299.374	1.840	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)NC[C@H]2CCCN2C)c1	273445953	ZTJGYZUKVCLJPM-WCQYABFASA-N	292.379	1.924	10	20	CDCD	
CC(=O)N1CC[C@](C)(C(=O)N(C)Cc2ccccc2O)C1	365820259	RVXDPHLULLWNGD-INIZCTEOSA-N	290.363	1.609	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCC(n2cccn2)CC1	370119004	FACBMYSIZIFFDE-UHFFFAOYSA-N	287.319	1.772	10	20	CDCD	
C[C@@H](N[C@@H]1COC[C@H]1O)c1cc(Cl)ccc1O	295815215	BIPSRAFOOAGPEZ-NYRNMGCKSA-N	257.717	1.456	10	20	CDCD	
CC(C)(CCCO)CNC(=O)c1c(F)ccc(O)c1O	297517329	OGBIYGBWQJHKIB-UHFFFAOYSA-N	285.315	1.765	10	20	CDCD	
CC[C@@H](NC(=O)c1ccc(C)c(O)c1O)C(C)(C)O	294022414	QQMJFHHPLRTSSA-SNVBAGLBSA-N	267.325	1.686	10	20	CDCD	
CC(=O)C(=O)COC(=O)c1cccc([N+](=O)[O-])c1C	808489401	OXNAWPNQLHZWHA-UHFFFAOYSA-N	265.221	1.218	10	20	CDCD	
O=C(NCCCOC(F)F)NCc1ccccc1O	801070127	CQUDCJNTNOUPTO-UHFFFAOYSA-N	274.267	1.821	10	20	CDCD	
C[C@H]1CN(C(=O)c2cc(O)cs2)C[C@@H](C)S1(=O)=O	812373361	UJGKVUILEIASHW-OCAPTIKFSA-N	289.378	1.101	10	20	CDCD	
COc1ccc(N(C)C[C@H]2CCC(=O)O2)c(OC)c1	821396504	PFIMFHWIDXGWSR-LLVKDONJSA-N	265.309	1.846	10	20	CDCD	
CN(C)c1ccc(CNC(=O)C2(N(C)C)CC2)cc1F	824669890	SKUVBLHLHPXNEL-UHFFFAOYSA-N	279.359	1.602	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN(C)C2(CO)CCC2)c1O	827903404	GVHHNULLBULGHR-UHFFFAOYSA-N	296.323	1.656	10	20	CDCD	
Cc1cc(Br)cc(CN(C)CC(=O)O)c1O	820954238	VRALLTITVQXBCZ-UHFFFAOYSA-N	288.141	1.980	10	20	CDCD	
CC1=NO[C@@H](C(=O)NCc2ccc(N(C)C)c(F)c2)C1	824669075	DKTKYMRCUBNLAO-CYBMUJFWSA-N	279.315	1.673	10	20	CDCD	
COC[C@H]1COCCN1Cc1cc(OC)c(C)cc1O	902562331	WNJDOMZBMKWZMS-ZDUSSCGKSA-N	281.352	1.556	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)[C@]12C[C@H]1CCN2	580080277	BLLNXCFVEJMTQS-BZNIZROVSA-N	287.363	1.230	10	20	CDCD	
CN(C)[C@H](CNC(=O)c1cc(O)cs1)C1CC1	732274761	YSYOGLZEYICZEX-SNVBAGLBSA-N	254.355	1.524	10	20	CDCD	
O=C(NCc1cccc(CO)c1)c1cc(O)cs1	732288694	WYCVDZLQVXRHLI-UHFFFAOYSA-N	263.318	1.876	10	20	CDCD	
CCC1(CNC(=O)c2ccc(C)c(O)c2O)COC1	836990131	PJHTZUYCURRTBB-UHFFFAOYSA-N	265.309	1.563	10	20	CDCD	
COc1ccc(O)c(CNC(=O)Cc2nnc(C)s2)c1	830544020	JJTSJXFXHBZKND-UHFFFAOYSA-N	293.348	1.420	10	20	CDCD	
CN(C)c1ccc([C@H](N)CNC(=O)C2CCC2)cc1	832293368	VOTALYUXEXYDGD-CQSZACIVSA-N	261.369	1.669	10	20	CDCD	
CO[C@@H]1COCC[C@@H]1CNC(=O)c1ccc(C)c(O)c1O	836814938	NKIZZKKGRNTHTN-ZYHUDNBSSA-N	295.335	1.188	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N2[C@H]3CC[C@H]2CNC3)cc1	831002508	LCZVVLUZLXHUSC-GJZGRUSLSA-N	288.395	1.398	10	20	CDCD	
CCn1c(Sc2nccs2)nnc1N1CCOCC1	914863032	ZSWLLSINJVXORF-UHFFFAOYSA-N	297.409	1.742	10	20	CDCD	
CC(C)(CO)C(=O)NCc1cc(Cl)ccc1O	848242376	DNENGPYCFQCQKD-UHFFFAOYSA-N	257.717	1.680	10	20	CDCD	
COc1cccc([C@H](C)NC[C@@H]2CN(C)CCN2C)c1O	846146645	RTLRMCAUKUKLPZ-QWHCGFSZSA-N	293.411	1.297	10	20	CDCD	
NCC(F)(F)CNCc1cc(Cl)ccc1O	841060351	WKJATLQSDIYXJO-UHFFFAOYSA-N	250.676	1.729	10	20	CDCD	
N[C@@H]1CCC[C@@H](NCc2ccc(N3CCOCC3)cc2)C1	841055631	SYBNDDUGMIPMIX-HZPDHXFCSA-N	289.423	1.883	10	20	CDCD	
Nc1ccc(NC(=O)N2CC(=O)N[C@@H]3CCCC[C@@H]32)cc1	841298200	NPNJAEDEKIGYKM-OLZOCXBDSA-N	288.351	1.544	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1CC[C@@H](C(=O)N(C)C)C1	840957177	HQJBCIYBZQQNQK-OAHLLOKOSA-N	289.423	1.971	10	20	CDCD	
COc1ccc(N2CCC(NC[C@H](C)CN)CC2)cc1	841048446	IZZCQKPFJAQNGT-CYBMUJFWSA-N	277.412	1.848	10	20	CDCD	
COc1ccc(CNC(=O)[C@]2(C)CCCNC2)c(O)c1	843499363	FTGCOUXGRNZJLJ-OAHLLOKOSA-N	278.352	1.407	10	20	CDCD	
COc1ccc(N(C)CCN(C)CN2CCCC2=O)cc1	844724592	AHASQOSHYPTNSH-UHFFFAOYSA-N	291.395	1.643	10	20	CDCD	
CCC[C@H](O)C(=O)NCc1ccc(N(C)C)cc1	929404726	MHFMETOLTPSTJU-ZDUSSCGKSA-N	250.342	1.530	10	20	CDCD	
CN1C(=O)CC[C@@H](NCc2ccc3c(c2)CCCO3)C1=O	922200306	CAAUGJAFZGUTGI-CYBMUJFWSA-N	288.347	1.249	10	20	CDCD	
CN(C(=O)COC(=O)/C=C/c1ccc(O)c(O)c1)C1CC1	750553995	NHZDMEJFXOZKLO-XVNBXDOJSA-N	291.303	1.275	10	20	CDCD	
COC(=O)C[C@@]1(NCc2cc(C)ccc2O)CCOC1	766470207	PSVBCNNPTOAPFL-HNNXBMFYSA-N	279.336	1.512	10	20	CDCD	
C[C@@H]1CCN(C(=O)c2cc(O)cs2)CC[S@@]1=O	760922578	RMJVTUJBTLVCTG-RBHXEPJQSA-N	273.379	1.437	10	20	CDCD	
C[C@@H](C(=O)C1CC1)n1cc(COc2ccc(N)cc2)nn1	864641527	CECGNJZXUISPPN-JTQLQIEISA-N	286.335	1.979	10	20	CDCD	
CC[C@@H](CNS(C)(=O)=O)NCc1c(C)cccc1O	877562612	XRDLRQCRZRYZRT-NSHDSACASA-N	286.397	1.118	10	20	CDCD	
CC[C@H](NCc1ccc(N2CCC(O)CC2)cc1)[C@H](C)O	877568228	HXOJFPPIRMORDN-GUYCJALGSA-N	292.423	1.897	10	20	CDCD	
CCN(CC)CCNC(=O)NCc1cc(C)ccc1O	874979916	RNNNCLQIIHBLQV-UHFFFAOYSA-N	279.384	1.842	10	20	CDCD	
COc1cccc(O)c1CN1CC[C@H](C)C[C@H]1C(N)=O	779203709	HRGPNBSFLUZCAL-JQWIXIFHSA-N	278.352	1.487	10	20	CDCD	
O=C(NCc1ccccc1O)[C@@H](O)C1CCCCC1	783676145	DCPVCMRHHDIRAP-AWEZNQCLSA-N	263.337	1.950	10	20	CDCD	
C[C@H](O)C[C@H](C)NC(=O)NCc1ccc(N(C)C)c(F)c1	783201694	XIDXZUCEQDOADZ-QWRGUYRKSA-N	297.374	1.850	10	20	CDCD	
CN(C)c1ccc(CNC(=N)NCC2CC2)cc1F	887353040	ZBBAMVHJHFOPMI-UHFFFAOYSA-N	264.348	1.916	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@H](F)C(F)(F)F)c1	788301017	ZUFDPOBJQZKQGV-VIFPVBQESA-N	281.205	1.917	10	20	CDCD	
CC(C)OC(=O)CNC(=O)[C@H](C)Sc1nccs1	894172030	OWRKVWINNVFTTQ-QMMMGPOBSA-N	288.394	1.692	10	20	CDCD	
COc1cc(C)cc(CN[C@H]2CCCS(=O)(=O)C2)c1O	894288334	SBBCBCCZSGEVHI-LBPRGKRZSA-N	299.392	1.376	10	20	CDCD	
Cc1ccc(C(=O)NCCN2CCSCC2)c(O)c1O	780936619	BSMWUJYFTZIKMS-UHFFFAOYSA-N	296.392	1.185	10	20	CDCD	
COc1cc(C)cc(CN[C@@H]2C(=O)NCC[C@H]2C)c1O	894664150	VURSFGPMYPNTAM-MFKMUULPSA-N	278.352	1.323	10	20	CDCD	
CCN1C[C@@H](C)N(C(=O)c2cccc(O)c2O)C[C@@H]1C	790910804	BQLAHBMHUYSQHY-WDEREUQCSA-N	278.352	1.653	10	20	CDCD	
C[C@H]1C(=O)CC[C@H]1CC(=O)NCCc1ccc(O)c(O)c1	793679071	BXYPYHUMISYAMN-PWSUYJOCSA-N	291.347	1.762	10	20	CDCD	
Cc1cc(C)n(CC(=O)N(C)Cc2ccccc2O)n1	77258319	ISYHBEKUJCIWPC-UHFFFAOYSA-N	273.336	1.864	10	20	CDCD	
CC[C@@H](NCc1cccc(Cl)c1O)C(=O)NC	697823717	IJHGVNXWFMOUSO-SNVBAGLBSA-N	256.733	1.660	10	20	CDCD	
Cc1nc(C(=O)N[C@H](C)c2ccccc2O)n(C)n1	1348547604	OTNUEHPAISSGLD-MRVPVSSYSA-N	260.297	1.320	10	20	CDCD	
CC1(C)OC[C@@H]2C[C@@]21C(=O)NCc1cccc(O)c1O	1352669176	HIJCOKJQBGUFIT-BONVTDFDSA-N	277.320	1.529	10	20	CDCD	
CCN1C[C@H](CSc2ncc(C(=O)O)s2)OC1=O	1605470388	SNCBZAPLKLDBSN-ZCFIWIBFSA-N	288.350	1.774	10	20	CDCD	
C/C(=C\COC(=O)c1cccc(O)c1O)C(=O)O	1588991958	LYYFXJFBLOUAKU-FNORWQNLSA-N	252.222	1.286	10	20	CDCD	
CCOC(=O)[C@@H](C)Sc1ncc(C(=O)O)s1	1596527240	WQSDOZBXKQIHHQ-RXMQYKEDSA-N	261.324	1.885	10	20	CDCD	
Cc1cccc(O)c1CN(C)CC(=O)NC(C)C	876548985	FMTJDFVIYBUGFM-UHFFFAOYSA-N	250.342	1.657	10	20	CDCD	
CC(C)S(=O)(=O)CCNCc1cc(Cl)ccc1O	311014947	BAHWQLOMBNTXDY-UHFFFAOYSA-N	291.800	1.958	10	20	CDCD	
C[C@H]1[C@@H](C(=O)O)CCN1Cc1cc(F)cc(F)c1O	708215121	HRKXHJDAPRLRKR-XVKPBYJWSA-N	271.263	1.965	10	20	CDCD	
C[C@]1(C(N)=O)CCN(Cc2cc(F)cc(F)c2O)C1	708397270	AMDKDLQSZMSBFX-ZDUSSCGKSA-N	270.279	1.368	10	20	CDCD	
CCC[C@H]1CN(C(=O)Cc2ccc(N)cc2)CCO1	709060630	CATZXLZWKQSVQP-AWEZNQCLSA-N	262.353	1.839	10	20	CDCD	
Cc1cccc(CN(C2CC2)[C@@H]2CCS(=O)(=O)C2)c1O	179710554	DTZLLRGGQLCFLO-CQSZACIVSA-N	295.404	1.852	10	20	CDCD	
CCn1cc(NC(=O)NCCc2ccc(O)c(O)c2)cn1	172119252	VWUPVMAFLSPPOE-UHFFFAOYSA-N	290.323	1.678	10	20	CDCD	
COCCN(CC(=O)OC)Cc1ccccc1O	179575330	MSTWGVPKPIBZGR-UHFFFAOYSA-N	253.298	1.014	10	20	CDCD	
c1cnnc(NCc2ccc(N3CCOCC3)cc2)c1	172822902	DPBMYCZMAAKCQK-UHFFFAOYSA-N	270.336	1.925	10	20	CDCD	
Oc1ccc(F)cc1CN1CC[C@H](CN2CCOCC2)C1	180200579	JNUHXOMKWOMMFM-CYBMUJFWSA-N	294.370	1.685	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCCO1	183463358	FWTUDXPQQPFREZ-ZANVPECISA-N	265.309	1.324	10	20	CDCD	
CN(C)c1ccc(CNC(=O)Cn2ccccc2=O)cc1	78982482	MMZYTNDXPCFTSE-UHFFFAOYSA-N	285.347	1.231	10	20	CDCD	
CSCC[C@H](N)C(=O)NCc1ccccc1O	83399600	RGFJMZSFWHGKES-JTQLQIEISA-N	254.355	1.089	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NCCCF)cc1	134361422	QBJVMEBILRVCCC-UHFFFAOYSA-N	253.321	1.911	10	20	CDCD	
COc1cc(O)c(CN2CC[C@@H](C)[C@H]2CO)cc1OC	191178594	KLYNGLIYOHDSOK-ZYHUDNBSSA-N	281.352	1.612	10	20	CDCD	
CN(C)c1ccc(CNC(=O)Cc2cnn(C)c2)cc1F	194843367	GKPACYINQZQBNT-UHFFFAOYSA-N	290.342	1.484	10	20	CDCD	
C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)Cc1cc(F)ccc1O	180159562	MLJJAFRGQNYEMK-VHSXEESVSA-N	289.372	1.785	10	20	CDCD	
CCOC(=O)CN(C)c1cc(OC)c(OC)c(OC)c1	265993981	KZIFBFWGQBNUEO-UHFFFAOYSA-N	283.324	1.712	10	20	CDCD	
C[C@](O)(CC(=O)NCc1ccc(O)c(O)c1)C1CC1	272320081	KESTUOFKSOMVJD-AWEZNQCLSA-N	265.309	1.265	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cnnn1C	281565767	KCWHVKLSLKETDW-UHFFFAOYSA-N	287.367	1.543	10	20	CDCD	
C[C@H](CCO)CCNCc1cc([N+](=O)[O-])ccc1O	295203886	ZCUUQCLQCIIYRR-JTQLQIEISA-N	268.313	1.799	10	20	CDCD	
COc1cccc([C@@H]2NC(=O)CN2CC(C)C)c1O	298773729	FYFYNNVTUODMFT-CQSZACIVSA-N	264.325	1.487	10	20	CDCD	
CCN1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)[C@H](C)C1	804381490	OPDCBJXEZLQYLS-SMYYYNMVSA-N	290.363	1.664	10	20	CDCD	
COC(=O)c1cnc(SCCCNC(C)=O)s1	295419952	YALWRRFKEFCEDD-UHFFFAOYSA-N	274.367	1.548	10	20	CDCD	
CON(C)C(=O)CCNCc1ccc2c(c1)CCCN2C	818984752	GEEYJPVNZDLPRP-UHFFFAOYSA-N	291.395	1.569	10	20	CDCD	
CCOC[C@H](O)CN[C@H](C)Cc1ccc(N(C)C)cc1C	819373928	DZPNLZNWSGDIQU-RHSMWYFYSA-N	294.439	1.979	10	20	CDCD	
C[C@H](C(=O)O)N(C)Cc1ccc(N2CCOCC2)c(F)c1	819895453	IVJPVZOPFZAZSW-LLVKDONJSA-N	296.342	1.567	10	20	CDCD	
COc1cccc(CN[C@H](C)c2nc(C)no2)c1O	729683961	IAQRLHYRXOAODP-MRVPVSSYSA-N	263.297	1.943	10	20	CDCD	
CCO[C@@H]1COC[C@H]1NCc1ccc(OC)c(C)c1	825196414	GDUUKTBEFUJUOA-UKRRQHHQSA-N	265.353	1.897	10	20	CDCD	
CC(C)(C)[C@@H](O)C(=O)OCC(=O)c1ccc(O)c(O)c1	732718769	DZRHILPIFBGOCE-LBPRGKRZSA-N	282.292	1.231	10	20	CDCD	
C[C@H]1C[C@H](NCCCON)c2c(O)ccc(F)c21	902422961	HMVOXYALIQZNKG-WPRPVWTQSA-N	254.305	1.950	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H]1CC12CCOCC2	836865782	AENCFOOFKDNKSN-CTGSTSKSSA-N	289.331	1.796	10	20	CDCD	
Oc1cc2c(cc1CN1CCC[C@@H]1C1OCCO1)OCO2	902623178	VGXNBUAIQMLHSF-LLVKDONJSA-N	293.319	1.458	10	20	CDCD	
COCC1(O)CN(Cc2ccc(N(C)C)c(F)c2)C1	839144438	XEWZZPYYOFRPEL-UHFFFAOYSA-N	268.332	1.085	10	20	CDCD	
COc1cccc(CNS(=O)(=O)C2(C)CC2)c1O	830623307	JTFAIWTUSPFUPX-UHFFFAOYSA-N	271.338	1.373	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)NCCNC	841935811	ZQDIQAPHUUMRID-UHFFFAOYSA-N	265.357	1.533	10	20	CDCD	
CN(Cc1cc2c(cc1O)OCO2)C1CC(N)C1	843125379	UMYGLVOCUFCQGK-UHFFFAOYSA-N	250.298	1.042	10	20	CDCD	
Nc1ccc(CCNC(=O)NCC2(O)CCC2)cc1	841955353	ZZLIIWHLQLWCDD-UHFFFAOYSA-N	263.341	1.026	10	20	CDCD	
CC[C@@H](CS(=O)(=O)NCCc1ccc(N)cc1)OC	842822441	WGQDVVHZAGNZBA-ZDUSSCGKSA-N	286.397	1.156	10	20	CDCD	
O=[N+]([O-])c1cc(Cl)cc(CN[C@H]2CCCNC2)c1O	841041683	DVDMQZIYQUXLQC-JTQLQIEISA-N	285.731	1.795	10	20	CDCD	
COc1cc(CN2C[C@@H]3CCN(C)[C@@H]3C2)c(O)cc1C	840133184	PVZADOJCKOYAOH-GXTWGEPZSA-N	276.380	1.845	10	20	CDCD	
Oc1cccc2c1[C@@H](NCCN1CC[C@@H](O)C1)CC2	858546882	AWPPLYQJYSUFIW-OLZOCXBDSA-N	262.353	1.036	10	20	CDCD	
C[C@H]1C[C@H](NC(=O)c2cc(O)cs2)CN1C1CC1	754025045	NSXFHHDXFVVJHM-IUCAKERBSA-N	266.366	1.809	10	20	CDCD	
CCC[C@H](O)CC(=O)NCc1cccc(OC)c1O	750424996	XBVIGYIVRPJIKC-NSHDSACASA-N	267.325	1.568	10	20	CDCD	
Nc1ccc(CN2CCC[C@H](OCCO)C2)cc1	1337838248	MQONSYULJWZREN-AWEZNQCLSA-N	250.342	1.242	10	20	CDCD	
CCOC(=O)[C@@H](C)n1cc(COc2ccc(N)cc2)nn1	864626967	GARZWVOVIWOVMY-SNVBAGLBSA-N	290.323	1.563	10	20	CDCD	
C[C@@H](N)[C@H]1CN(Cc2ccc(N(C)C)cc2)CCO1	132585962	SPJOQADTPRTVCZ-IUODEOHRSA-N	263.385	1.301	10	20	CDCD	
C[C@H](C[S@](C)=O)NC(=O)N[C@H](C)c1ccccc1O	868494134	LQIXIWQDPPVYNR-HQVAUKCESA-N	284.381	1.519	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1cncnc1	760601329	YVRBQCYXWWUIOF-UHFFFAOYSA-N	270.336	1.781	10	20	CDCD	
COCCCN(CCO)Cc1c(C)cccc1O	877462732	UJGSIFAKINOMEK-UHFFFAOYSA-N	253.342	1.531	10	20	CDCD	
COCCN(C)CCCNCc1ccc(C)cc1O	876928401	CEIIDHDTPLIGKW-UHFFFAOYSA-N	266.385	1.759	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNC2(C)COC2)c1O	877691361	NWDGVFOCFTZNCY-UHFFFAOYSA-N	268.269	1.188	10	20	CDCD	
COCCOC[C@H](C)NCc1ccc(C)cc1O	877066364	KCSMFDHJGKIDOJ-LBPRGKRZSA-N	253.342	1.842	10	20	CDCD	
COC[C@@]1(CO)CCN(Cc2ccc(C)cc2O)C1	877573346	ORCAEBRRTKFQLH-HNNXBMFYSA-N	265.353	1.531	10	20	CDCD	
COc1ccc(CN[C@H](C)CO)cc1Cn1cccn1	873020327	OAZKNBJPFBJXQZ-GFCCVEGCSA-N	275.352	1.410	10	20	CDCD	
CC[C@@H](O)CN1CCN(c2ccc(OC)cc2OC)CC1	879462526	QMNXHEQXWZKEIH-CYBMUJFWSA-N	294.395	1.597	10	20	CDCD	
Nc1ccc(CNC(=O)N[C@@H]2CCN3CCCC[C@H]23)cc1	1120486507	UYBQPEDVHJUXSU-HUUCEWRRSA-N	288.395	1.695	10	20	CDCD	
CCc1nncn1CCNCc1cc(F)cc(F)c1O	883024398	YMKQZEODDXIRLQ-UHFFFAOYSA-N	282.294	1.614	10	20	CDCD	
CN1CCN(c2ccc(CN[C@H](CO)C3CC3)cc2)CC1	771852914	LKYGODYUCMXBJL-QGZVFWFLSA-N	289.423	1.299	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@@]2(C)CCOC2)c1O	775040156	QIQGPNSKDWHURD-ZDUSSCGKSA-N	282.296	1.578	10	20	CDCD	
CCOC(=O)[C@@](C)(O)CN[C@@H](C)c1cc(OC)ccc1O	771765627	CMKLXXSKKLWXIT-BONVTDFDSA-N	297.351	1.366	10	20	CDCD	
CN(C)c1ccc(Cn2cc(C3(O)CCC3)nn2)cc1	881272045	JYLGXVDHUWMSGN-UHFFFAOYSA-N	272.352	1.764	10	20	CDCD	
CCCN(C(=O)c1cccc(O)c1O)[C@@H](C)C(=O)OC	888612795	GDTWHYCCVVAJBZ-VIFPVBQESA-N	281.308	1.512	10	20	CDCD	
Cc1ccc(C(=O)N2CC(n3ccnc3)C2)c(O)c1O	780944002	QOIMMJZPIBWNSZ-UHFFFAOYSA-N	273.292	1.300	10	20	CDCD	
OC1CCN(c2ccc(CNC[C@H]3CCCO3)cc2)CC1	76275568	GKFCPTKWXNBEQA-QGZVFWFLSA-N	290.407	1.916	10	20	CDCD	
Cc1ccc(S(=O)(=O)Nc2ccc(O)cc2)cn1	788138884	HFNZDPXLAZSRHA-UHFFFAOYSA-N	264.306	1.896	10	20	CDCD	
C[C@H]1OC(=O)N[C@H]1C(=O)NCc1ccc(N(C)C)c(F)c1	788531350	SGMQDYGXXBFTKW-PRHODGIISA-N	295.314	1.005	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)NCc1cn(C)cn1	898632734	FLSBXNDRUXUQBY-UHFFFAOYSA-N	274.324	1.467	10	20	CDCD	
CCN1C(=O)/C(=C/c2cc(C(=O)O)nn2C)SC1=S	899333520	RGTFCRAVAPXJDN-YVMONPNESA-N	297.361	1.339	10	20	CDCD	
CCn1cc(CNCc2c(O)cccc2OC)cn1	735676381	MPIYVJQWZZERHM-UHFFFAOYSA-N	261.325	1.907	10	20	CDCD	
CCOc1ccc(CNC[C@@H](CO)[C@H]2CCOC2)c(O)c1	795581236	GSIKJWVKZDNSRI-KBPBESRZSA-N	295.379	1.526	10	20	CDCD	
CCO[C@@H]1COCC[C@@H]1NCc1ccc2c(c1)CCO2	759171821	ASDCTSZDTGGGAE-GOEBONIOSA-N	277.364	1.905	10	20	CDCD	
COc1ccc(O)c(CN2CCO[C@H](CC(=O)O)C2)c1	91298633	MFODLLKMMXYTQJ-GFCCVEGCSA-N	281.308	1.076	10	20	CDCD	
CC(=O)NCCC1=CCN(c2ncccc2[N+](=O)[O-])CC1	1089802720	UZWWHPOXBFXADS-UHFFFAOYSA-N	290.323	1.653	10	20	CDCD	
COc1ccc(CNCCCNC(=O)[C@@H](C)OC)cc1C	1155243724	UHNBFZCDGTVNCB-CYBMUJFWSA-N	294.395	1.634	10	20	CDCD	
CN[C@@H](C)CCN[C@@H](C)c1cc([N+](=O)[O-])ccc1O	1325743050	ITSKDHCZFLZOAH-UWVGGRQHSA-N	267.329	1.949	10	20	CDCD	
CN(C)[C@H](CNC(=O)/C=C\c1ccc(O)c(O)c1)C1CC1	1323566171	GGKWLQBEYMASSI-IBSXUBTNSA-N	290.363	1.567	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNCC(=O)NCC(C)C	1331382889	VFMGKRARFXXMSX-UHFFFAOYSA-N	277.412	1.923	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)N[C@H]2C[C@H](CN)C2)c1	1262600562	GESTVTJNPFINSN-GMTAPVOTSA-N	293.367	1.498	10	20	CDCD	
Cc1nc(COc2ccc(N(C)C)c(C(=O)O)c2)no1	1600703249	IKTHNMXNBBZJTJ-UHFFFAOYSA-N	277.280	1.721	10	20	CDCD	
C[C@@](CN)(NC(=O)c1ccc(N=NC(N)=O)cc1)C1CC1	1575976939	YZAJAZOTIOKUDV-AWEZNQCLSA-N	289.339	1.706	10	20	CDCD	
CC[C@H](N[C@@H](C)c1cc(C(=O)O)ccc1O)[C@@H](C)O	1595278882	KRVCWBPGJVDGOI-SBMIAAHKSA-N	267.325	1.900	10	20	CDCD	
CN(CC[C@H]1COCCO1)c1ccc(OCC(=O)O)cc1	1777056413	UBPUJHBDTMBSHV-AWEZNQCLSA-N	295.335	1.392	10	20	CDCD	
O=C1COc2ccc(/C=C3/SC(=S)NC3=O)cc2N1	200735125	ZIYDFKARKQYMMF-RUDMXATFSA-N	292.341	1.506	10	20	CDCD	
Cc1cccc(O)c1CNC[C@@H]1CCCCS1(=O)=O	877303021	BLXPPJADXATSNO-LBPRGKRZSA-N	283.393	1.758	10	20	CDCD	
Oc1c(Cl)cccc1CNCCO[C@@H]1CCOC1	897201771	NHQZBSAXABGXTO-LLVKDONJSA-N	271.744	1.941	10	20	CDCD	
C[C@H](CCO)CCNC(=O)c1cccc(O)c1O	295316534	GHASBHNYNUMTNH-VIFPVBQESA-N	253.298	1.236	10	20	CDCD	
CCN(C)C(=O)[C@H](C)NCc1cc(OC)ccc1O	188468669	DFESZYBBRXTLNQ-JTQLQIEISA-N	266.341	1.357	10	20	CDCD	
C[C@H]1[C@@H](N(C)C)CCN1C(=O)c1cccc(O)c1O	312049306	WMBICONETCZDRN-ONGXEEELSA-N	264.325	1.262	10	20	CDCD	
Oc1cccc(Cl)c1CN1CCN([C@H]2CCNC2)CC1	380222908	JPRQCSCOERBGMC-LBPRGKRZSA-N	295.814	1.525	10	20	CDCD	
COC(=O)CN(Cc1cc(F)ccc1O)C(C)C	179939457	XFDCCBUIBDOBSM-UHFFFAOYSA-N	255.289	1.915	10	20	CDCD	
COCCN1CCN(Cc2ccc(N(C)C)c(F)c2)CC1	122993901	YIDYSOBXQSBBFV-UHFFFAOYSA-N	295.402	1.656	10	20	CDCD	
CS[C@@H](C)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	186393265	JOLGAXJFAWJZFT-IUCAKERBSA-N	269.366	1.897	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H](CO)CC(C)C)c(O)c1O	182901560	WMGAUKXIVUDEEF-SNVBAGLBSA-N	267.325	1.543	10	20	CDCD	
CC(C)NS(=O)(=O)CCN[C@@H](C)c1ccccc1O	183595381	URPCCFWADDRYIY-NSHDSACASA-N	286.397	1.371	10	20	CDCD	
Cc1cc(C)c(C(=O)N(C)Cc2ccccc2O)c(=O)[nH]1	136948670	UNFCDTNIOVTVAV-UHFFFAOYSA-N	286.331	1.970	10	20	CDCD	
Cc1nnc([C@H](C)NC(=O)c2cccc(O)c2O)[nH]1	286279412	GTNRUNBVRHURQX-LURJTMIESA-N	262.269	1.015	10	20	CDCD	
C[C@@H](N)[C@@H](C)C(=O)NCc1ccc(N2CCCC2)cc1	192098308	ZABZMIGZZFWCCD-CHWSQXEVSA-N	275.396	1.886	10	20	CDCD	
C[C@@H]1COCCN1Cc1ccc(N2CCOCC2)cc1	91814839	SAFTVPAJBKMTIM-CQSZACIVSA-N	276.380	1.744	10	20	CDCD	
CN1C[C@H](NCc2cccc(Br)c2O)CC1=O	383806185	ULIJDAKGKLBOCB-SECBINFHSA-N	299.168	1.475	10	20	CDCD	
Nc1ccc(CC(=O)N2CCC[C@H](c3ncc[nH]3)C2)cc1	269263413	XCHNOUMFBTUULY-ZDUSSCGKSA-N	284.363	1.941	10	20	CDCD	
Cc1ccc(C(=O)N[C@H]2CCN3CCCC[C@H]23)c(O)c1O	271324427	YBUXKGJDRPLKHW-QWHCGFSZSA-N	290.363	1.763	10	20	CDCD	
CO[C@H](C(=O)NCc1ccc(N(C)C)c(F)c1)C1CC1	279425846	XIERRAFUXGTONX-AWEZNQCLSA-N	280.343	1.933	10	20	CDCD	
CC(C)OC(=O)[C@@H](C)CNC(=O)c1cccc(O)c1O	275161310	UQUJGNUMXJTJCS-VIFPVBQESA-N	281.308	1.415	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCCN1C	274915919	JZSNTHGDRKXIFY-CMPLNLGQSA-N	278.352	1.239	10	20	CDCD	
COC[C@@H](NCc1cc(C)ccc1O)[C@H]1CCCO1	278699474	QQRUZCDWOGJOGQ-UKRRQHHQSA-N	265.353	1.984	10	20	CDCD	
COC(=O)[C@H]1CCN(C(=O)c2cccc(O)c2O)C[C@H]1C	276626587	PAZANSQDTRJASR-ZJUUUORDSA-N	293.319	1.369	10	20	CDCD	
COC(=O)[C@@H]1CN(Cc2cc(F)ccc2O)C[C@H]1C	280420736	ZBQABZXFFKMPFZ-BXKDBHETSA-N	267.300	1.772	10	20	CDCD	
COc1cccc(CN[C@H]2CCCN(CCCO)C2)c1O	295116717	MNGLCUSZKWJWEW-AWEZNQCLSA-N	294.395	1.337	10	20	CDCD	
C[C@@H]1CC(=O)N[C@H](C(=O)NCc2ccc(N(C)C)cc2)C1	292772870	MAQXGWDZNGQBHM-FZMZJTMJSA-N	289.379	1.284	10	20	CDCD	
CC[C@H](CNC(=O)N(C)Cc1ccccc1O)OC	290968331	BKIVEEDDCYCJJI-GFCCVEGCSA-N	266.341	1.959	10	20	CDCD	
COc1ccc2c(c1)CCCN2C[C@H](O)CN(C)C1CC1	809934149	JJKMDMMITXCSRD-OAHLLOKOSA-N	290.407	1.903	10	20	CDCD	
C[C@H](NC[C@@H]1CNCCO1)c1ccc(N(C)C)cc1	817982797	HJRATNVXIHYXBH-WFASDCNBSA-N	263.385	1.392	10	20	CDCD	
C[C@H](C[C@@H]1COCCN1)NCc1ccc(N(C)C)c(F)c1	817898888	CCZYDYZHKDEHNO-TZMCWYRMSA-N	295.402	1.748	10	20	CDCD	
CN1CC[C@H]1CNCc1c(O)cccc1Br	712572390	NPRYCFKHEALFTJ-VIFPVBQESA-N	285.185	1.948	10	20	CDCD	
COc1ccc(CNC(=O)[C@H]2NCCCC2(C)C)c(O)c1	818000219	KVIFMGXUCPNJLM-CQSZACIVSA-N	292.379	1.795	10	20	CDCD	
CC[C@H](CO)N(C)Cc1ccc(N2CCOCC2)c(F)c1	824533962	UYPRKZHKFOIXTM-CQSZACIVSA-N	296.386	1.865	10	20	CDCD	
COCCN1CN(Cc2cc(Cl)c(C)cc2O)CC1=O	825798372	WSCXPKXTOMFDON-UHFFFAOYSA-N	298.770	1.602	10	20	CDCD	
CN(C)c1ccc([C@H](N)CNC(=O)[C@H]2CC2(C)C)cc1	832267674	YZUIWMCVNCPKLR-ZIAGYGMSSA-N	275.396	1.915	10	20	CDCD	
CC1CCN(CC(=O)NCCc2ccc(N)cc2)CC1	832659302	ZDTRAALVCYHXPK-UHFFFAOYSA-N	275.396	1.659	10	20	CDCD	
CN(C)C(=O)C1(CNC(=O)c2cc(O)cs2)CCCC1	733366628	BMWOTXMKRHLHED-UHFFFAOYSA-N	296.392	1.832	10	20	CDCD	
CC(C)Oc1cncc(-c2ccn(CC(=O)O)c(=O)c2)c1	901074926	GBEWLERBHJENKH-UHFFFAOYSA-N	288.303	1.782	10	20	CDCD	
CO[C@@H]1COC[C@@H]1NCc1cc(C)c(C)cc1O	839191620	CADNPQJSBRLOQJ-GXTWGEPZSA-N	251.326	1.512	10	20	CDCD	
COC[C@H](NC/C=C\c1ccc(N(C)C)cc1)C(=O)O	901477126	HBSBXHQBZFPIOW-WSNITJDQSA-N	278.352	1.455	10	20	CDCD	
CCc1noc(C(=O)N[C@H](C)c2cc(OC)ccc2O)n1	902628497	WAMASVIWHISAMQ-MRVPVSSYSA-N	291.307	1.837	10	20	CDCD	
CCOc1ccc(CN[C@@H]2COC[C@@H]2OC)c(O)c1	839193033	MXJLTXVHRNTARG-OCCSQVGLSA-N	267.325	1.294	10	20	CDCD	
C[C@@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)C[C@@H]1C(=O)O	833617884	IKIIBBBFQAJKFZ-FYGOAMBHSA-N	291.303	1.290	10	20	CDCD	
Cc1nc(C)c(CCC(=O)Nc2ccc(N)cc2)c(O)n1	832249937	GRLYMHUTBKGVFW-UHFFFAOYSA-N	286.335	1.953	10	20	CDCD	
Nc1ccc(NC(=O)C(=O)N(CC2CC2)C2CCC2)cc1	841119381	DJIGXJIBRUWCSN-UHFFFAOYSA-N	287.363	1.998	10	20	CDCD	
CCCN1CC(=O)N[C@@H]1c1cccc(Br)c1O	840823876	GRNMMKROKBYZGU-LBPRGKRZSA-N	299.168	1.995	10	20	CDCD	
Cc1ccc(C)n1-c1ccsc1C(=O)NCC(=O)O	740119416	PMCSMPPHDBQGIO-UHFFFAOYSA-N	278.333	1.970	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CCC[C@H](CN)C2)c1O	843347919	YEDILQGCUQDQCX-LLVKDONJSA-N	280.343	1.905	10	20	CDCD	
C[C@@H](C(=O)O)C(=O)NCc1c(O)ccc2c1CCCC2	841768576	NYPHOBFCZKDYOL-SECBINFHSA-N	277.320	1.608	10	20	CDCD	
CC(C)CCCNC(=O)C(=O)NCCc1ccc(N)cc1	842165909	GZTMHMOZPUGPEY-UHFFFAOYSA-N	291.395	1.480	10	20	CDCD	
CO[C@@H]1COC[C@H]1N[C@@H](C)c1cc(F)cc(F)c1O	842909149	FYNGVDOHKMYPJR-UPZJHPNMSA-N	273.279	1.735	10	20	CDCD	
COC[C@H](CO)NCc1cc(OC)cc(C(C)(C)C)c1O	850282298	WRIVQGTXRNSFKF-LBPRGKRZSA-N	297.395	1.795	10	20	CDCD	
Cc1cc(CC(=O)NCCc2ccc(N)cc2)on1	852796482	UQDHKPALWPGNPG-UHFFFAOYSA-N	259.309	1.467	10	20	CDCD	
CCN1C[C@@H](NC(=O)NCc2cc(C)ccc2O)CC1=O	858515941	CIZRGZAODQYOPY-LBPRGKRZSA-N	291.351	1.121	10	20	CDCD	
COC[C@@](C)(CC(=O)OC)NCc1cc(C)ccc1O	757926497	MAIIHPIALJMDFY-OAHLLOKOSA-N	281.352	1.758	10	20	CDCD	
CS/C=C\C(=O)NCCc1ccc(O)c(O)c1	767786395	OGZLXWWNALCIPK-ALCCZGGFSA-N	253.323	1.633	10	20	CDCD	
CC(=O)NC[C@H]1CCCCN1C(=O)c1cccc(O)c1O	863814006	UKEQOEZBGZXREK-LLVKDONJSA-N	292.335	1.229	10	20	CDCD	
CCN1CCC(NC(=O)CN(C)c2ccc(N)cc2)CC1	863558453	JIZICIZRQXODKU-UHFFFAOYSA-N	290.411	1.306	10	20	CDCD	
C[C@H]1COCCCN1Cc1cc2c(cc1O)OC[C@@H]2O	768462443	LMTKLDPXELFCSG-HZMBPMFUSA-N	279.336	1.429	10	20	CDCD	
CN1CCC(CCO)(NCc2ccccc2O)CC1	779511987	VWFNEUOFQUFYJW-UHFFFAOYSA-N	264.369	1.329	10	20	CDCD	
C[C@@H](NC(=O)[C@]1(F)CCNC1)c1ccccc1O	870988703	XLSFQFGZUPVCFZ-RNCFNFMXSA-N	252.289	1.271	10	20	CDCD	
Cc1ccc(CNCCCN2CCCS2(=O)=O)c(O)c1	877021273	DUZCKMUUQQCQBS-UHFFFAOYSA-N	298.408	1.216	10	20	CDCD	
CN(C)c1ccc(CN2C(=O)[C@H]3CSCN3C2=O)cc1	777557357	GYYLLUWDRXCLSY-GFCCVEGCSA-N	291.376	1.590	10	20	CDCD	
CC[C@@H](CO)NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1	776250947	YXXSIACCPKTKIU-AAEUAGOBSA-N	279.384	1.884	10	20	CDCD	
COc1cc(C)cc([C@@H]2NC(=O)[C@H]3CSCCN32)c1O	887330103	XXDAENDOYMYFRZ-ZWNOBZJWSA-N	294.376	1.255	10	20	CDCD	
CCOc1cccc(CN2C[C@H]3C[C@]3(CO)C2)c1O	783734269	KWVWVKHZBHNFTR-IUODEOHRSA-N	263.337	1.605	10	20	CDCD	
C[C@H]1C[C@H](N)CN1C(=O)NCc1ccc(N(C)C)c(F)c1	891457172	XNAOPSNDNNJFCL-JQWIXIFHSA-N	294.374	1.523	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)CCCN)cc1	83460760	ULGQVGAMYSFMLU-UHFFFAOYSA-N	263.385	1.888	10	20	CDCD	
COc1ccc(CN2C[C@H](C)N(C)C[C@H]2C)c(O)c1OC	893669269	LSPGNJZXLQRISI-NWDGAFQWSA-N	294.395	1.934	10	20	CDCD	
COc1ccc(CNS(=O)(=O)c2ccsc2)c(O)c1	795964551	VIQDXUJBZWARGQ-UHFFFAOYSA-N	299.373	1.941	10	20	CDCD	
C[C@@H](CCO)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	898448830	YCVCJNLAZFAXGC-XJKSGUPXSA-N	279.428	1.716	10	20	CDCD	
CC[C@@H](CN1CCCC1)NC(=O)c1cccc(O)c1O	790726978	NHMZFBFWJQZDMI-NSHDSACASA-N	278.352	1.702	10	20	CDCD	
O=C(N[C@H](CO)CC(F)(F)F)c1cccc(O)c1O	717759376	MMHZPBNHUYIIIM-LURJTMIESA-N	279.214	1.141	10	20	CDCD	
Cc1nnc(NC(=O)c2c(F)ccc(O)c2O)s1	790070437	RVHQVTHIUJXUGC-UHFFFAOYSA-N	269.257	1.649	10	20	CDCD	
C[C@H](NC[C@H](C)S(C)(=O)=O)c1ccc(F)cc1O	697583673	UBRBXROQNOIQSO-IUCAKERBSA-N	275.345	1.615	10	20	CDCD	
COc1cccc(O)c1CN1CC[C@@](C)(C(N)=O)C1	793384916	PUWMLVAZQWWYAC-CQSZACIVSA-N	264.325	1.098	10	20	CDCD	
O=C(NCc1ccccc1O)c1ccn(-c2ccncc2)n1	1320809768	VXBMWQCGKQDSNV-UHFFFAOYSA-N	294.314	1.903	10	20	CDCD	
NCc1nccnc1NCCCSc1nccs1	1336516878	PLESZLPEIQVCFU-UHFFFAOYSA-N	281.410	1.986	10	20	CDCD	
Nc1ccc(CN2CCC[C@@H](n3ccnn3)C2)cc1	1352789382	JYDHWMMFIIVKKF-CQSZACIVSA-N	257.341	1.697	10	20	CDCD	
C[C@H]1NCCC[C@H]1NCc1cc(F)cc(F)c1O	1579499571	TTZRUFGBXIANPD-PRHODGIISA-N	256.296	1.901	10	20	CDCD	
C[C@H]1[C@H](C(N)=O)CC[C@@H](C)N1C(=O)Cc1ccc(N)cc1	1576647230	MNJWTBYPZXSRPX-UHIISALHSA-N	289.379	1.312	10	20	CDCD	
O=C(NCc1c(O)ccc2ccccc12)[C@]1(F)CCNC1	1580708069	IUNZPUGCQQDFNE-INIZCTEOSA-N	288.322	1.863	10	20	CDCD	
C[C@](CCF)(NC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)O	1592494777	COOUQFROJOBSID-PKXJPQMGSA-N	297.282	1.430	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)NC[C@H](C)C(=O)O)c1	1593883272	WIZAMLBJPRTNBA-DTWKUNHWSA-N	281.308	1.550	10	20	CDCD	
CN(C)c1ccc(CN2CC[C@@]3(CCNC3)C2)cc1	31994771	LWCMKKPMBHETFN-MRXNPFEDSA-N	259.397	1.938	10	20	CDCD	
O=[N+]([O-])c1ccc(O)c(CNC[C@H]2CCCO2)c1	35546350	DCDITEXOWJMIRS-LLVKDONJSA-N	252.270	1.569	10	20	CDCD	
COc1cccc(O)c1CN1C[C@H](C)S(=O)(=O)[C@H](C)C1	811518748	PRBNVPLXITWJAG-PHIMTYICSA-N	299.392	1.408	10	20	CDCD	
C[C@@H]1C[C@@H](N(C)C(=O)Cc2ccc(N)cc2)CCN1C	237565012	LKHKLZSRCSCJRB-DOMZBBRYSA-N	275.396	1.752	10	20	CDCD	
COc1ccc(O)c([C@@H](C)N[C@H]2CC(=O)N(C)C2)c1	273579557	MIIBRMUUGMCVBX-ZJUUUORDSA-N	264.325	1.282	10	20	CDCD	
Nc1ccc(CCNC(=O)[C@H]2C[C@H]3CC[C@H]2O3)cc1	269150092	OYNOOBTXXALBFF-HZSPNIEDSA-N	260.337	1.495	10	20	CDCD	
COc1ccc(O)c(CNC2(CN(C)C)CCC2)c1	281395448	XCLPZBKHWWKVDP-UHFFFAOYSA-N	264.369	1.975	10	20	CDCD	
C[S@](=O)C1(CN[C@H]2CCc3cccc(O)c32)CC1	296573564	VHCWIHLQSHVPQJ-VOJFVSQTSA-N	265.378	1.880	10	20	CDCD	
C[C@@H](NCCCNS(C)(=O)=O)c1cc(F)ccc1O	184921413	AWURHKHSYJJMGB-SECBINFHSA-N	290.360	1.121	10	20	CDCD	
CN(C)CCNC(=S)NCc1ccc(N(C)C)cc1	7371581	OOXUMZCPBPPDPT-UHFFFAOYSA-N	280.441	1.278	10	20	CDCD	
COc1ccc(O)c(CN(C)CC(=O)NC2CC2)c1	179606881	WRWBSYQOAHBEOU-UHFFFAOYSA-N	264.325	1.111	10	20	CDCD	
COc1ccc(O)c(CNC(=O)Nc2cc(C)n(C)n2)c1	123240650	IKAACZLHVJSSIM-UHFFFAOYSA-N	290.323	1.764	10	20	CDCD	
COC(=O)COC(=O)c1cc(C)n(-c2ccccn2)c1C	193012604	GMCWJLKIDWPZNU-UHFFFAOYSA-N	288.303	1.819	10	20	CDCD	
Cc1cc(NS(=O)(=O)c2cn[nH]c2C)ccc1O	148634461	SOCVKBKXNNZTEM-UHFFFAOYSA-N	267.310	1.533	10	20	CDCD	
CC(C)CN1CC(=O)N[C@@H]1c1ccc2c(c1)CCN2C	269725089	WELWOFNBJRDMDV-INIZCTEOSA-N	273.380	1.765	10	20	CDCD	
COc1ccc(CNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)c(O)c1	367924099	INQQKDLTMQNDPW-CORIIIEPSA-N	291.347	1.832	10	20	CDCD	
Cc1ccc(C(=O)NC[C@@H]2CSCCS2)c(O)c1O	272546630	ACDYCFIQGOWTME-SECBINFHSA-N	299.417	1.985	10	20	CDCD	
CC(=O)c1cc(F)cc(CN[C@H](C)c2ncn(C)n2)c1O	275664321	YKIGDRGPSYOEJG-MRVPVSSYSA-N	292.314	1.713	10	20	CDCD	
COc1cccc(CN2CC[S@@](=O)C[C@@H](C)C2)c1O	277402705	HXGJTUMUQORACH-JEOXALJRSA-N	283.393	1.601	10	20	CDCD	
CCOc1ccc(O)c(CN2CCCS(=O)(=O)CC2)c1	378346749	SMEPOBUNTFEWTN-UHFFFAOYSA-N	299.392	1.411	10	20	CDCD	
Cc1ccc(O)c([C@H](C)N[C@H](C)C(=O)NCCF)c1	282690632	KGGVCYHHHXCTJN-WDEREUQCSA-N	268.332	1.825	10	20	CDCD	
Cc1ccc(O)c(CN(C)CCCN2CCN(C)CC2)c1	289519555	VIVRKBGVCHWBKA-UHFFFAOYSA-N	291.439	1.770	10	20	CDCD	
COc1cc(O)c(CN[C@H]2C[C@@H](O)C2)cc1OC	294963884	WXAJLPVYICFFQA-AOOOYVTPSA-N	253.298	1.022	10	20	CDCD	
O=C(NC[C@H]1CCCOC1)c1c(F)ccc(O)c1O	294990017	YYWBZKUFBHOPFN-MRVPVSSYSA-N	269.272	1.393	10	20	CDCD	
C[C@H](OC[C@H]1CCCO1)C(=O)NCc1ccc(N)cc1	297136472	HUEYVXKTNNSGEJ-SMDDNHRTSA-N	278.352	1.469	10	20	CDCD	
CCN(C)c1ccc(CN2CC[C@H](CO)[C@@H](O)C2)cc1	815101384	XTTMHBPKLQKUFE-ZBFHGGJFSA-N	278.396	1.318	10	20	CDCD	
CCOC(=O)Cn1cnc(NCc2cc(C)ccc2O)n1	819147215	WENXYCGKCSKUMY-UHFFFAOYSA-N	290.323	1.467	10	20	CDCD	
COc1cc(O)c(CN(C)C[C@H]2CCCN2C)cc1OC	817374132	IDWZMPKRCXYTIC-CYBMUJFWSA-N	294.395	1.935	10	20	CDCD	
CN(C(=O)c1ccoc1CC(N)=O)c1ccc(F)c(F)c1	579743427	HUEQEIOXFDHAOQ-UHFFFAOYSA-N	294.257	1.862	10	20	CDCD	
CNCCC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	827725986	RAZAZJJVXCDXGR-ZDUSSCGKSA-N	291.395	1.310	10	20	CDCD	
C[C@@H](NC(=O)C1(C(N)=O)CCC1)c1ccccc1O	827930729	PISPUFKDPXQEMT-SECBINFHSA-N	262.309	1.225	10	20	CDCD	
CCO[C@@H]1COC[C@H]1NCc1cc([N+](=O)[O-])ccc1O	825196364	DUKVSLQEADUHBR-DGCLKSJQSA-N	282.296	1.194	10	20	CDCD	
Cc1cc(O)c(CNCc2nnn(C)n2)cc1Cl	825726878	XXJVHGSZNSKAJS-UHFFFAOYSA-N	267.720	1.167	10	20	CDCD	
NC1CC(NCc2ccc(N3CCOCC3)cc2)C1	906507799	CKSIRNLLPVRQPP-UHFFFAOYSA-N	261.369	1.103	10	20	CDCD	
CC(C)(NC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)O	833460263	XYUCNWARRLKORX-XQRVVYSFSA-N	265.265	1.090	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N[C@H]1CCC[C@H]1CO	837087556	FQNANKATESVQAE-YILIYONBSA-N	277.320	1.388	10	20	CDCD	
O=C(N[C@@H](C1CC1)[C@H](CO)C1CC1)c1cc(O)cs1	834020247	GNGJLMSCPCNZHI-YPMHNXCESA-N	281.377	1.981	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@H](CN)C(C)(C)C)c1O	841087427	OFIRNNWEGFVPRA-LLVKDONJSA-N	297.355	1.772	10	20	CDCD	
CCONC(=O)CNCc1cccc(CC)c1O	848918703	IWUINXYOXOPVGL-UHFFFAOYSA-N	252.314	1.112	10	20	CDCD	
CC[C@H]1CN(Cc2cc3c(cc2O)OCO3)CC[C@@H]1N	843053664	QBLUCGODVBCCFH-JQWIXIFHSA-N	278.352	1.680	10	20	CDCD	
Cc1cccc(CN2CCO[C@@H]([C@@H](C)N)C2)c1O	843056970	DKKYUYPTCPOFSA-DGCLKSJQSA-N	250.342	1.249	10	20	CDCD	
COC(=O)[C@H]1CNCCCN1Cc1cc(C)ccc1O	843123694	NPDOLTNGKHDPDD-CYBMUJFWSA-N	278.352	1.038	10	20	CDCD	
CN1CC[C@H](C(=O)NCc2cc(Cl)ccc2O)C1	846477632	VHSAJSILPBHCEK-VIFPVBQESA-N	268.744	1.614	10	20	CDCD	
C[C@H](NC(=O)N(C)[C@@H](C)CN)c1ccc(N(C)C)cc1	841881634	UAASDFMQIFYYDD-RYUDHWBXSA-N	278.400	1.802	10	20	CDCD	
COc1cccc([C@@H](C)N[C@H](C)C(=O)NC(C)C)c1O	846172956	OEELWYGQZODDGT-GHMZBOCLSA-N	280.368	1.965	10	20	CDCD	
CN1CCC(NC(=S)NCc2cccn2C)CC1	743061013	DNYVBEYJBCCDNZ-UHFFFAOYSA-N	266.414	1.083	10	20	CDCD	
CCOc1ccc(CN2CC[C@@H](N)[C@H](C)C2)c(O)c1	843051093	DZPPKIPGOVQIJL-BXUZGUMPSA-N	264.369	1.960	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)OCC(=O)c1ccc[nH]1	759595933	SFFHPUZBQPJTAL-XQRVVYSFSA-N	287.271	1.865	10	20	CDCD	
CN(C)c1ccc(CN2CCC3(CC2)COC(=O)N3)cc1	753587570	PIROSYFMXZMNIS-UHFFFAOYSA-N	289.379	1.827	10	20	CDCD	
Cc1cnc2c(c1)N(C(=O)/C=C/c1cnn(C)c1)CC2	857879906	VODHKJFUJROXOZ-ONEGZZNKSA-N	268.320	1.726	10	20	CDCD	
CC(C)(O)C(=O)NCc1ccc(N2CCC(O)CC2)cc1	856213072	VWBSINLBCWQVDJ-UHFFFAOYSA-N	292.379	1.035	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H]1CCO[C@@H]1C	935948505	NQZDRAHSLQABLA-GHMZBOCLSA-N	284.352	1.919	10	20	CDCD	
Cc1cccc(O)c1CN1CC[C@H](N2CCCC2=O)C1	877472183	MEFBDOHVRTWSGF-ZDUSSCGKSA-N	274.364	1.897	10	20	CDCD	
C[C@@H](OC(=O)c1cccc(O)c1O)C(=O)NC1CCCC1	776281745	JOTCUVHWCAPDOH-SECBINFHSA-N	293.319	1.702	10	20	CDCD	
C[C@@H](NCC(=O)NC[C@@H]1CCCO1)c1ccccc1O	879648053	XFYZKNXDLVMOGV-NEPJUHHUSA-N	278.352	1.338	10	20	CDCD	
CN(Cc1ncc[nH]1)C(=O)/C=C\c1ccc(O)c(O)c1	779512482	CBUWAGFSNNGNHG-HYXAFXHYSA-N	273.292	1.493	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCN([C@@H]2CCOC2)CC1	771030925	GDPBRUZYYBOEGV-SNVBAGLBSA-N	282.365	1.000	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNC[C@H](O)CC(C)C)c1O	774994035	WHTZULNXFSDNGD-LLVKDONJSA-N	298.339	1.806	10	20	CDCD	
Cc1ccc(O)c(CNS(=O)(=O)c2c(N)noc2C)c1	1118877956	ODHOIYCNJLNDCF-UHFFFAOYSA-N	297.336	1.058	10	20	CDCD	
C[C@H](NC(=O)N[C@H](C)CO)c1ccc(N(C)C)cc1	776244774	FTPJKURKWNDNNZ-MNOVXSKESA-N	265.357	1.494	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CCN(C)C1=O	773022338	SWKRYMVDEJIGPS-CQSZACIVSA-N	289.379	1.156	10	20	CDCD	
C[C@@H](O)CCc1cn(Cc2ccc(N(C)C)cc2)nn1	881271093	GUJUCJDQIYWUSM-GFCCVEGCSA-N	274.368	1.706	10	20	CDCD	
Cc1cc(C)nc(NC(=O)C(=O)NCc2ccccc2O)c1	773147115	ASQZWRKLTHAECM-UHFFFAOYSA-N	299.330	1.659	10	20	CDCD	
C[C@H](CN1CCOCC1)N[C@H](C)c1c(O)cccc1F	886503985	MPSBDJJPBIUFBT-VXGBXAGGSA-N	282.359	1.903	10	20	CDCD	
Cc1ccc(C(=O)N2C[C@H](C)N(C)C[C@@H]2C)c(O)c1O	781009199	VCCGWCUCPNKUOP-QWRGUYRKSA-N	278.352	1.571	10	20	CDCD	
CCOc1ccc(CN2CC[C@H]([C@H](C)O)C2)c(O)c1	780786232	JIOMIBGGQDTUGV-RYUDHWBXSA-N	265.353	1.994	10	20	CDCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N1CC[C@@H]1CO	893135915	QYUJOIUENDZQED-OAHLLOKOSA-N	287.363	1.339	10	20	CDCD	
CCN(CC(=O)N(C)C)Cc1ccc(OC)c(OC)c1O	891611855	DCHUTDUCQKIZQR-UHFFFAOYSA-N	296.367	1.320	10	20	CDCD	
CCN(CCO)CCNCc1cc(C)cc(OC)c1O	894477267	HVBRHCYOGFAIOU-UHFFFAOYSA-N	282.384	1.113	10	20	CDCD	
Cn1nncc1CNCc1ccc(N2CCCC2)cc1	394938375	ALYAJPCTRGMLQG-UHFFFAOYSA-N	271.368	1.705	10	20	CDCD	
COc1ccc(O)c(CNCCN2CCCC2=O)c1	405341716	OYFKTCIIDJTQOF-UHFFFAOYSA-N	264.325	1.113	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)c1csc(O)n1	792238024	MMDKZINRZUGQFS-UHFFFAOYSA-N	266.278	1.190	10	20	CDCD	
CC(C)(CNCc1cc([N+](=O)[O-])ccc1O)C(=O)O	1320733090	NYYZJKOYHXZBQF-UHFFFAOYSA-N	268.269	1.501	10	20	CDCD	
CCOC(=O)[C@@H](NCc1cccc(OC)c1O)C1CC1	1338882245	NHCKKQMVDRAGPH-ZDUSSCGKSA-N	279.336	1.832	10	20	CDCD	
CCN1CCN(Cc2cc(OC)ccc2O)C[C@@H]1C	211419257	RZCSHLBXRQIYCT-LBPRGKRZSA-N	264.369	1.927	10	20	CDCD	
C[C@@H]1CCCN(C(=O)NCc2ccc(N)cc2)[C@H]1CCO	1337070310	MOHLAOCTJWNONL-DOMZBBRYSA-N	291.395	1.961	10	20	CDCD	
COc1ccc(CNC(=O)C[C@@H](N)CCSC)c(O)c1	1341929239	RGTZEKRSDRIICO-NSHDSACASA-N	298.408	1.488	10	20	CDCD	
C[C@@](O)(C(=O)NCc1cccc(O)c1O)C1CCC1	1263894882	ZDGOGCXVWHPXLJ-AWEZNQCLSA-N	265.309	1.265	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)C(=O)N1CCC(F)CC1	1345466609	VDNCTVQYBHMPAV-UHFFFAOYSA-N	294.326	1.311	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NC[C@H](C)C(=O)O)c1	1357173425	PJQNZPXGBUZNRX-VIFPVBQESA-N	266.297	1.221	10	20	CDCD	
C[C@@]1(NCc2cc3c(cc2O)OCO3)CCCOC1	221371865	YGFWMLOTLHVFNY-CQSZACIVSA-N	265.309	1.780	10	20	CDCD	
COCCN(CC(=O)O)Cc1cc(Cl)c(C)cc1O	1593999594	FYCWLPUUFMVGSP-UHFFFAOYSA-N	287.743	1.887	10	20	CDCD	
CC[C@](C)(CC(=O)O)NC(=O)c1ccc(C)c(O)c1O	1594822108	PTHDWCWZSKVUTM-CQSZACIVSA-N	281.308	1.779	10	20	CDCD	
C[C@H](NC[C@@H]1CCCCN1)c1cc(C(=O)O)ccc1O	1593252080	NHPMECIIKMJWCV-JQWIXIFHSA-N	278.352	1.883	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CCNC(=O)C2)c1	151546373	ZZGRDMODFVNGDY-ZJUUUORDSA-N	292.335	1.104	10	20	CDCD	
C[C@H](NC(=O)c1cccc(O)c1O)C(=O)NC(C)(C)C	126531807	WQCXRXWRWBMDIU-QMMMGPOBSA-N	280.324	1.131	10	20	CDCD	
CCOc1cccc(CN(C)C[C@@H]2COCCO2)c1O	827139723	CYTIYPLJGKMWGL-CYBMUJFWSA-N	281.352	1.638	10	20	CDCD	
C[C@H](NCCO[C@@H]1CCOC1)c1ccc(F)cc1O	927081794	WGMPAQPUAKFBNB-CMPLNLGQSA-N	269.316	1.987	10	20	CDCD	
CN1CCCC[C@@H]1C(=O)NCCc1ccc(N)cc1	832659223	UOUWTIJCIIIZKG-CQSZACIVSA-N	261.369	1.412	10	20	CDCD	
CCC[C@@](C)(CO)NC(=O)Nc1ccc(N)cc1	841300906	WISONXQVDUYSSL-ZDUSSCGKSA-N	251.330	1.941	10	20	CDCD	
C[C@H](NCC1(O)CCN(C)CC1)c1ccc(F)cc1O	273575690	LTBFPRWHQJXCGX-NSHDSACASA-N	282.359	1.639	10	20	CDCD	
CCOC[C@H](O)CN[C@H](C)c1ccc(N(C)C)cc1	312032287	YDKKRKYJEHZNGF-IUODEOHRSA-N	266.385	1.801	10	20	CDCD	
Cc1ncc(CNCc2ccc3c(c2)CCO3)n1C	689206208	UKZOCHHLQGEDQE-UHFFFAOYSA-N	257.337	1.953	10	20	CDCD	
COCC(COC)N[C@H](C)c1cc(OC)ccc1O	388383094	UTBUQZLFLASHAM-SNVBAGLBSA-N	269.341	1.713	10	20	CDCD	
COCCOCc1noc(Cc2ccc(N)cc2)n1	395478907	QTCZUGWLEASQNT-UHFFFAOYSA-N	263.297	1.406	10	20	CDCD	
COc1ccc(O)c(CNC(=O)NCC2CCOCC2)c1	172073323	NPVKVVVJJPFIAF-UHFFFAOYSA-N	294.351	1.627	10	20	CDCD	
COc1cc(CN2CCS(=O)(=O)C[C@@H]2C)c(O)cc1C	179444752	VAHXCZIILZYSEG-NSHDSACASA-N	299.392	1.328	10	20	CDCD	
COC(=O)CN1CCOc2cc(N(C)C)ccc21	175024935	IUHVVCXYEWULJZ-UHFFFAOYSA-N	250.298	1.124	10	20	CDCD	
COc1cccc(CNC(=O)CNCC(F)(F)F)c1O	113423313	DUOMLWXDKSKPCW-UHFFFAOYSA-N	292.257	1.169	10	20	CDCD	
O=C(O)c1sccc1S(=O)(=O)Nc1ccc(O)cc1	35053698	VVWHFFJVNBHQQU-UHFFFAOYSA-N	299.329	1.953	10	20	CDCD	
CCOc1ccc(N2CCN(CCC(=O)O)CC2)cc1	49873499	CGZWGIMPFJRGBQ-UHFFFAOYSA-N	278.352	1.682	10	20	CDCD	
CN1C[C@@H](NCc2c(O)cccc2Cl)CC1=O	264999328	ZBUZNBBGEBZMSR-QMMMGPOBSA-N	254.717	1.366	10	20	CDCD	
CCN(CC)c1ccc(CN[C@@H](C(=O)OC)[C@@H](C)O)cc1	191964110	ZVFWWSCRUNWPRZ-IUODEOHRSA-N	294.395	1.545	10	20	CDCD	
CCOc1ccc(O)c(CN2CCNC(=O)[C@@H]2CC)c1	93050607	PDTSZQRRJMVDSY-ZDUSSCGKSA-N	278.352	1.501	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)CCCN	236731761	KWABAIQXHWGJNB-UHFFFAOYSA-N	250.342	1.870	10	20	CDCD	
Cc1cc(O)c(CN(CCO)CCCO)cc1C	93323915	DVQAUBLKEMUINK-UHFFFAOYSA-N	253.342	1.186	10	20	CDCD	
CCOc1cccc(CN[C@H](CO)C(C)C)c1O	92393527	KYLATGSAWLWZFS-GFCCVEGCSA-N	253.342	1.897	10	20	CDCD	
O=S1CCN(Cc2cccc(Cl)c2O)CC1	162818572	VKJQVMCIHZYZSL-UHFFFAOYSA-N	259.758	1.610	10	20	CDCD	
COCCN(CC(=O)O)c1ccc(OC)c(OC)c1	269637101	MYODYQQMVJFNJF-UHFFFAOYSA-N	269.297	1.241	10	20	CDCD	
CCC(CC)(CN)C(=O)NCCc1ccc(N)cc1	262009009	QPJDBYDBDFRFDR-UHFFFAOYSA-N	263.385	1.693	10	20	CDCD	
COc1cccc(CNC(=O)NC2CC(F)(F)C2)c1O	277105831	OYKQEOPVHYEDHK-UHFFFAOYSA-N	286.278	1.998	10	20	CDCD	
Cc1cccc(CN2CC[S@@](=O)C[C@H](C)C2)c1O	277482916	MUTZYJCVJYOPEZ-ADLMAVQZSA-N	267.394	1.901	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)N(C)CCO)cc1F	271089620	UPKBFGDDPVMKFW-UHFFFAOYSA-N	297.374	1.806	10	20	CDCD	
CCN(CC)c1ccc(CN(C)CC(N)=O)cc1F	271042882	JUHLYGDLYITQDT-UHFFFAOYSA-N	267.348	1.589	10	20	CDCD	
CCCOc1ccc(CN[C@@]2(CCO)CCOC2)c(O)c1	278520278	RXNDVOCLEJNBIY-INIZCTEOSA-N	295.379	1.812	10	20	CDCD	
Cc1cc(O)c(CN2CC[C@@H]3OCC(=O)N[C@H]3C2)cc1C	373770277	XNLYGUKTNZMAGG-ZFWWWQNUSA-N	290.363	1.098	10	20	CDCD	
COc1ccc(CN[C@@H](C)C(=O)NCCF)cc1C	282728638	QUMJMVNNVFNUBA-NSHDSACASA-N	268.332	1.567	10	20	CDCD	
Cn1nc2c(c1NC(=O)c1cccc(O)c1O)CCC2	280268634	UUJKRMWKDOBCLJ-UHFFFAOYSA-N	273.292	1.572	10	20	CDCD	
COCC[C@@H](CO)N[C@H](C)c1ccc(F)c(F)c1O	281588227	LNJOEXBTJINCIJ-BDAKNGLRSA-N	275.295	1.718	10	20	CDCD	
Cc1ccc(C(=O)N(C2CC2)C2COC2)c(O)c1O	295772463	PIKAPEHMPXWDJW-UHFFFAOYSA-N	263.293	1.410	10	20	CDCD	
CCC(=O)N1CC[C@H](N[C@H]2CCc3cccc(O)c32)C1	296770558	KMVQVXWZVJCIKM-STQMWFEESA-N	274.364	1.980	10	20	CDCD	
CC[C@@H]1CN(C(=O)c2c(F)ccc(O)c2O)CCCO1	295070379	CVOMCECHOXIJCJ-SECBINFHSA-N	283.299	1.878	10	20	CDCD	
CN(C)c1ccc(CN2C[C@@H](CO)OC(C)(C)C2)cc1	817280049	XVMYVJGWCTYHHV-HNNXBMFYSA-N	278.396	1.724	10	20	CDCD	
OC[C@@]1([C@@H](NCc2ccccc2O)C2CC2)CCCO1	816667106	CMRSCMJDLWFJIT-JKSUJKDBSA-N	277.364	1.802	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@H](N)C2CCC2)c1	817996588	KLFCCUXCNHMEPU-YMTOWFKASA-N	278.352	1.705	10	20	CDCD	
Cc1cc(O)c(CNC[C@H](O)CN2CCCC2)cc1Cl	825131378	NBUAQEJPWCBZEH-ZDUSSCGKSA-N	298.814	1.900	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2cc[n+]([O-])cc2)c1	728983775	FXHOHGFKCZVVND-SNVBAGLBSA-N	288.303	1.525	10	20	CDCD	
COCCN(CC(=O)O)Cc1cccc(Cl)c1O	820723447	FJOURIHRPIBBHL-UHFFFAOYSA-N	273.716	1.579	10	20	CDCD	
CCN(CCNC(=O)c1cc(O)cs1)C(C)C	732283106	XUEXVTOLTBYGPN-UHFFFAOYSA-N	256.371	1.914	10	20	CDCD	
COCCNC(=O)C1(NCc2ccc3c(c2)CCO3)CC1	839191777	FHYBZSJLPCIWMH-UHFFFAOYSA-N	290.363	1.006	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N[C@]2(C)CCNC2)cc1	831002656	NAFABULTKVAYPT-OAHLLOKOSA-N	276.384	1.304	10	20	CDCD	
COCC1(C(=O)NCc2ccc(O)cc2O)CCCC1	910943430	CJXRPOMOILLZBZ-UHFFFAOYSA-N	279.336	1.921	10	20	CDCD	
CN(CCCN)C(=O)NCc1ccc2c(c1)CCCN2C	841758132	CYKINZUWGFZBAT-UHFFFAOYSA-N	290.411	1.559	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNCCN1CCO[C@H](C)C1	840932846	VBQFKCOIFPBHNX-OAHLLOKOSA-N	291.439	1.871	10	20	CDCD	
CCOc1ccc(O)c(CN2[C@@H](C)CNC[C@H]2C)c1	843066120	SXDUTJQTKKKXPX-TXEJJXNPSA-N	264.369	1.973	10	20	CDCD	
CC(C)(C)N1CC[C@@H](NCc2ccccc2O)C1=O	842720443	HSPNHIFBTKDZJS-GFCCVEGCSA-N	262.353	1.881	10	20	CDCD	
CCS(=O)(=O)CCCNCc1cccc(Cl)c1O	840973840	WWBJAPUXKTZOBQ-UHFFFAOYSA-N	291.800	1.960	10	20	CDCD	
CC[C@@](C)(CCO)NC(=O)NCCc1ccc(N)cc1	841960541	SDCRVXXPGCCKOS-HNNXBMFYSA-N	279.384	1.662	10	20	CDCD	
O=C(O)[C@@H]1CCC[C@@H]1NCc1cc(F)ccc1O	859807753	JPLXZSCGAPGRBT-MNOVXSKESA-N	253.273	1.874	10	20	CDCD	
CN(CCNC(=O)c1cccc(O)c1O)CC(F)F	863809703	FWCBNWDPBHMCBI-UHFFFAOYSA-N	274.267	1.025	10	20	CDCD	
CN(C)c1ccc(CNCc2nnnn2CC2CC2)cc1	769937234	VDCOUZOVPHFVNJ-UHFFFAOYSA-N	286.383	1.439	10	20	CDCD	
CCO[C@H]1COCC[C@@H]1NC(=O)c1ccc(C)c(O)c1O	760053887	RSJURPMDDVSRBI-RYUDHWBXSA-N	295.335	1.330	10	20	CDCD	
CCC[C@@H]1C(=O)NCCN1Cc1ccc(OCC)cc1O	769514929	MKFXMKOJSVQFIE-CQSZACIVSA-N	292.379	1.891	10	20	CDCD	
C[C@@H](CCO)N(C)Cc1ccc(N2CCC(O)CC2)cc1	877614430	DDJDDIJOWKAFFU-AWEZNQCLSA-N	292.423	1.850	10	20	CDCD	
CCN1C[C@@H](CNCc2c(C)cccc2O)CC1=O	877613959	STZUYWKQLQQCFE-GFCCVEGCSA-N	262.353	1.659	10	20	CDCD	
CC[C@@H](CO)C(=O)NCc1ccc(N(C)C)cc1C	779778898	RSOFEPKFIHOYQC-LBPRGKRZSA-N	264.369	1.696	10	20	CDCD	
CCCCNC(=O)CN(CC(=O)O)c1ccc(OC)cc1	872884806	ALYNHEVYMLGVTM-UHFFFAOYSA-N	294.351	1.503	10	20	CDCD	
Oc1ccc2ccncc2c1CN1CC[C@H](n2cncn2)C1	776778391	NCXAZDHHVJABJK-ZDUSSCGKSA-N	295.346	1.979	10	20	CDCD	
CC(C)N1CCN(C(=O)c2cc(O)cs2)CC1=O	780810241	MOHIOBAPUDDPPN-UHFFFAOYSA-N	268.338	1.147	10	20	CDCD	
C[C@H](O)CN1CCN(Cc2cc(F)cc(F)c2O)CC1	893999369	CGVOGMTVLBJTCW-JTQLQIEISA-N	286.322	1.169	10	20	CDCD	
COC[C@@H](CNCc1cc(Cl)cc(F)c1O)OC	781529900	SEFIKMRUJSBLJM-SNVBAGLBSA-N	277.723	1.936	10	20	CDCD	
COc1ccc(CN[C@H]2CN(C(C)=O)C[C@H]2C)cc1C	1054305894	PQLKWRXRNJEORN-DOMZBBRYSA-N	276.380	1.960	10	20	CDCD	
Oc1ccc(Br)cc1CNC[C@H]1COCO1	894872115	YGVZIPAXPLKKKU-JTQLQIEISA-N	288.141	1.617	10	20	CDCD	
CCOc1ccc(O)c(CN2C[C@H](O)C[C@]2(C)CO)c1	895332233	TXVGMOIKYIEJLL-IUODEOHRSA-N	281.352	1.109	10	20	CDCD	
CC(=O)N1C[C@@H]2CN(Cc3c(C)cccc3O)C[C@@H]2C1	895576883	QMOWOJIQCZBORS-OKILXGFUSA-N	274.364	1.611	10	20	CDCD	
CC1(C)CN(Cc2ccc(N3CCOCC3)cc2)C[C@H]1O	790937142	KBGNFZMXZUMSKO-MRXNPFEDSA-N	290.407	1.726	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@H]2CCCCCN2)cc1	81018013	LDHQIZCBBCJIKP-OAHLLOKOSA-N	275.396	1.901	10	20	CDCD	
C[C@H](CO)NCc1cc(Br)cc(F)c1O	715712150	JADHDAFNGATVAU-ZCFIWIBFSA-N	278.121	1.764	10	20	CDCD	
COc1ccc(CN[C@@H]2CCCS(=O)(=O)C2)cc1C	69142123	QJEZZVQAUQFGAD-CYBMUJFWSA-N	283.393	1.670	10	20	CDCD	
COc1cccc(O)c1CN1CCO[C@@]2(CCO[C@@H]2C)C1	793229695	BSEGDKCSHJQJRO-WBMJQRKESA-N	293.363	1.781	10	20	CDCD	
C[C@@H](NCCN1CCOC[C@H]1C)c1c(O)cccc1F	1332365976	SLGSZYMRUDJTJO-VXGBXAGGSA-N	282.359	1.903	10	20	CDCD	
C[C@H](NC(=O)NCc1ccc(N)cc1)[C@H]1CCCOC1	1338584358	YMKDHCIJHMVRDW-AAEUAGOBSA-N	277.368	1.883	10	20	CDCD	
CCN(CCCN(C)C)C(=O)NCc1ccc(N)cc1	1335725987	PMSXFASBKOXWHY-UHFFFAOYSA-N	278.400	1.752	10	20	CDCD	
Nc1ccc(CNC(=O)N2CC[C@@H]3OCCC[C@H]3C2)cc1	1262603900	YMFOFQWAVLEULA-ZFWWWQNUSA-N	289.379	1.979	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)c1ccsc1C(=O)O	1601540186	SDCHCJZTDOMKBF-UHFFFAOYSA-N	293.300	1.788	10	20	CDCD	
Cc1cc(C(=O)O)nc(NCc2cc(O)ccc2O)n1	1600127359	FAORRLNDBZURBV-UHFFFAOYSA-N	275.264	1.507	10	20	CDCD	
O=C(CSc1ncc(C(=O)O)s1)NCC1CC1	1601350716	DWLSFHPHPYOAEZ-UHFFFAOYSA-N	272.351	1.460	10	20	CDCD	
Cc1ccc(O)c(CN[C@@H](Cc2cncs2)C(=O)O)c1	1600465418	YJECXPLYWNKBAU-LBPRGKRZSA-N	292.360	1.943	10	20	CDCD	
O=C(NCCCO)NCCCSc1nccs1	154584722	NIDNINGUIOUWCH-UHFFFAOYSA-N	275.399	1.307	10	20	CDCD	
CN(C)c1ccc(CNC(=O)C[C@H]2COC(=O)C2)cc1	156817891	ONEBGRLUJLIKEJ-GFCCVEGCSA-N	276.336	1.322	10	20	CDCD	
CN(C)c1ccc(CNCc2cc(C(=O)O)no2)cc1	904053950	DCFOGELVYDACIC-UHFFFAOYSA-N	275.308	1.729	10	20	CDCD	
C[C@@H](NCC1(O)CCN(C)CC1)c1cc(F)ccc1O	273606828	UMKOVPLNSHFPLL-LLVKDONJSA-N	282.359	1.639	10	20	CDCD	
Cc1ccc([C@H](C)NCCN2CCC(O)CC2)c(O)c1	296094745	YJCRLPQFSOQEIR-ZDUSSCGKSA-N	278.396	1.808	10	20	CDCD	
C[C@@H]1CC[C@@H](CNCc2cc3c(cc2O)OCO3)O1	398126558	TXKDBNJUUWZHEQ-KOLCDFICSA-N	265.309	1.778	10	20	CDCD	
CC(=O)c1cc(F)cc(CN(C)[C@@H](C)CCO)c1O	844448306	YLTMRHBJUYYQLF-VIFPVBQESA-N	269.316	1.937	10	20	CDCD	
CN(C)c1ccc(CN2C[C@@H]3C[C@@H]3[C@@H]2C(=O)O)cc1	1777039649	DERQCMSNBKAQOA-FPMFFAJLSA-N	260.337	1.658	10	20	CDCD	
CC(=O)N1CCN(Cc2cc(F)ccc2O)CC1	179867181	FRVSSAIKFWTBIL-UHFFFAOYSA-N	252.289	1.195	10	20	CDCD	
COc1cccc(CNC[C@](C)(O)C2CC2)c1O	310917338	FIEMYFPAFLTCCY-AWEZNQCLSA-N	251.326	1.651	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H](C)C(=O)NC(C)(C)C)c(O)c1O	177676127	OYDURVBULHXUGH-VIFPVBQESA-N	294.351	1.439	10	20	CDCD	
CCNC(=O)N1CCN(Cc2ccc(N(C)C)cc2)CC1	121552566	PNXRDAJAWGNGEA-UHFFFAOYSA-N	290.411	1.600	10	20	CDCD	
CCN(CC1CC1)S(=O)(=O)N(C)Cc1ccccc1O	183915984	NAFSQCPUUSJFSD-UHFFFAOYSA-N	298.408	1.801	10	20	CDCD	
CNC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	48646566	ZWKQVAZHIWRZEU-UHFFFAOYSA-N	281.331	1.216	10	20	CDCD	
Oc1ccccc1CNC[C@H](O)COCC1CC1	134231920	UNOQNVLLSXWOPM-ZDUSSCGKSA-N	251.326	1.269	10	20	CDCD	
C[C@@H]1OCC[C@@]1(O)CNCc1cc(Cl)ccc1O	227974249	PTCWAVSJWPDFJW-TVQRCGJNSA-N	271.744	1.675	10	20	CDCD	
C[C@@H]1CCNC(=O)[C@H]1NCc1cc(F)ccc1O	195007500	VAZFAXBPTPCLLY-PELKAZGASA-N	252.289	1.146	10	20	CDCD	
COc1cccc(CN(C)CC2CC(O)C2)c1O	191167262	MRYFMZBNWHYMNF-UHFFFAOYSA-N	251.326	1.604	10	20	CDCD	
Nc1ccc(CCNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2)cc1	237944770	ZJBARWMJVKJEPY-KBMXLJTQSA-N	287.407	1.848	10	20	CDCD	
C[C@H]1[C@H](C)S(=O)(=O)CCN1Cc1ccccc1O	179577981	DZNCMRCKHZVIPK-QWRGUYRKSA-N	269.366	1.400	10	20	CDCD	
O=C(NCc1ccccc1O)c1noc2c1COCC2	527602475	QVVNNRWKPYKKJO-UHFFFAOYSA-N	274.276	1.383	10	20	CDCD	
C[C@H](NC[C@H](O)c1cnn(C)c1)c1ccc(N(C)C)cc1	268875390	ISQXFGSMGPHLMU-LRDDRELGSA-N	288.395	1.870	10	20	CDCD	
C[C@H]1CCN(C(=O)c2cccc(O)c2O)C[C@@H]1CO	700389429	IIBALSNIFXMZHQ-VHSXEESVSA-N	265.309	1.188	10	20	CDCD	
COC(=O)[C@@H]1CCCN1Cc1cc2c(cc1O)OCO2	271051270	VUEBGHFNQZSLKQ-JTQLQIEISA-N	279.292	1.258	10	20	CDCD	
CCOc1ccc(O)c(CN(CC)[C@H]2CCNC2=O)c1	281865076	VSHCYJOZZIJCPY-ZDUSSCGKSA-N	278.352	1.501	10	20	CDCD	
Cc1ccc(O)c(CN2CCN([C@H]3CCC[C@H]3O)CC2)c1	371326970	LABQXJVSKQDJTL-DOTOQJQBSA-N	290.407	1.732	10	20	CDCD	
CCN(Cc1cc(OC)c(OC)cc1O)[C@@H]1CCNC1=O	281764780	LTONALMZNSUZJB-LLVKDONJSA-N	294.351	1.120	10	20	CDCD	
COc1cccc(CN(C)C[C@@H](O)C(F)(F)F)c1O	809751913	XOAHAAXAZBZLSM-SNVBAGLBSA-N	279.258	1.756	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N2CCC[C@@H](O)CC2)cc1	296556583	KHOSMFLBNUVUBY-OAHLLOKOSA-N	291.395	1.809	10	20	CDCD	
C[C@@H](CO)CCCNC(=O)c1c(F)ccc(O)c1O	295543829	OOZUJRUCMADFJH-MRVPVSSYSA-N	271.288	1.375	10	20	CDCD	
CC(C)N(C)C[C@@H](C)NC(=O)/C=C/c1ccc(O)c(O)c1	292158587	VXZYNBKZWHTKHP-WAFBPQNNSA-N	292.379	1.956	10	20	CDCD	
CCC[C@@]1(CO)CCN(C(=O)c2c(F)ccc(O)c2O)C1	296164141	SYDCUDUXWRCIDO-OAHLLOKOSA-N	297.326	1.862	10	20	CDCD	
CCN(CC)c1ccc(CN2C(=O)CNC2=O)cc1	298777372	RMVAGPQXTWUGAX-UHFFFAOYSA-N	261.325	1.585	10	20	CDCD	
CC(=O)C(=O)COC(=O)c1ccccc1Br	808488627	LSDMXMOEJYJSHH-UHFFFAOYSA-N	285.093	1.764	10	20	CDCD	
COCCNCCN[C@H](C)c1ccc(N(C)C)cc1	817965059	OOSPXAIPTWOQKF-CYBMUJFWSA-N	265.401	1.639	10	20	CDCD	
COc1cccc(CN2C[C@@H](CO)C[C@@H](C)C2)c1O	817412328	IVTSJGNFRZOJHG-NEPJUHHUSA-N	265.353	1.851	10	20	CDCD	
COC(=O)COc1ccc(N(C)Cc2cnns2)cc1	828790582	GTZFBSFPNYMVNC-UHFFFAOYSA-N	293.348	1.726	10	20	CDCD	
COc1cccc(CNC(=O)C2(N(C)C)CC2)c1O	830540026	CYQXRKGTVPKQJD-UHFFFAOYSA-N	264.325	1.111	10	20	CDCD	
CN(C)c1ccc(CN[C@@H](C(=O)O)C2CC2)cc1F	901477290	NJSYBJSLQKZOIP-CYBMUJFWSA-N	266.316	1.845	10	20	CDCD	
CN(CCCCNC(=O)c1c(F)ccc(O)c1O)C1CC1	839793636	WBRFYAHAVQNCHA-UHFFFAOYSA-N	296.342	1.841	10	20	CDCD	
NC(=O)c1ccccc1NC(=O)/C=C\c1ccc(O)c(O)c1	588403752	NNGLEGXLEZRZRQ-VURMDHGXSA-N	298.298	1.849	10	20	CDCD	
CCO[C@H]1C[C@@H]1C(=O)N(CC(=O)O)Cc1ccccc1O	911486540	PBSRSJBORARKBE-AAEUAGOBSA-N	293.319	1.230	10	20	CDCD	
COc1ccc(N(C)CCN(C)C(=O)c2cocn2)cc1	844852935	AKHBOFWEMOHLQW-UHFFFAOYSA-N	289.335	1.892	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN(C)[C@@H]1CCN(C)C1=O	840916489	AFDODXPLKUZCIV-OAHLLOKOSA-N	275.396	1.724	10	20	CDCD	
c1cc(N2CCCCC2)ccc1CN[C@H]1[C@@H]2CNC[C@@H]21	841077468	MRDAAUXHMQMBFN-FVQHAEBGSA-N	271.408	1.984	10	20	CDCD	
CC[C@@H](C)C[C@@H](N)C(=O)NCCc1ccc(N)cc1	911783036	OYVKMDNEEZLCQI-BXUZGUMPSA-N	263.385	1.691	10	20	CDCD	
CC[C@H](N[C@@H]1COC[C@H]1OC)c1ccc(F)cc1O	842911915	OSSCASZWZHJRFG-OUCADQQQSA-N	269.316	1.986	10	20	CDCD	
Cn1cnc(NCc2ccc(N3CCCC3)cc2)cc1=O	848645693	WDTGVCGWSYABMF-UHFFFAOYSA-N	284.363	1.993	10	20	CDCD	
Cc1cc(O)ccc1NS(=O)(=O)N1C[C@H]2CC[C@H]1C2	844654924	NDSMZBRXNZPNDG-QWRGUYRKSA-N	282.365	1.842	10	20	CDCD	
CCOc1ccc(CN2CC[C@@](C)(CN)C2)c(O)c1	843116256	KDXQJGOLIYCFEB-HNNXBMFYSA-N	264.369	1.962	10	20	CDCD	
CN(C)c1ccc([C@@H](N)CNCc2nccs2)cc1	841042391	JFEDWGUHTFBHRK-ZDUSSCGKSA-N	276.409	1.999	10	20	CDCD	
CNC(=O)[C@@H]1CCC[C@H]1N[C@H](C)c1cccc(OC)c1O	846158292	WKNHJPMYWTZJKU-RAIGVLPGSA-N	292.379	1.966	10	20	CDCD	
C[C@H](N)[C@@H]1CCN(C(=O)NCc2ccc(N(C)C)cc2)C1	841653866	KJUHMQBVJOXHLI-GXTWGEPZSA-N	290.411	1.631	10	20	CDCD	
CCOc1ccc(CN(C)CCN2CCNCC2)c(O)c1	843052954	QGEHUWDWAMKEAP-UHFFFAOYSA-N	293.411	1.128	10	20	CDCD	
OCCn1cc(NCc2c(O)cccc2Cl)cn1	758298671	BAEJZHDBUZWTTO-UHFFFAOYSA-N	267.716	1.847	10	20	CDCD	
CN1CCN(c2ccc(CNC[C@H]3C[C@@H](O)C3)cc2)CC1	858296851	WUEKMLNXEJDZSV-WOVMCDHWSA-N	289.423	1.299	10	20	CDCD	
CON(C)CCN[C@@H](C)c1cc([N+](=O)[O-])ccc1O	850479353	QMCGJDYCCQXSAI-VIFPVBQESA-N	269.301	1.444	10	20	CDCD	
CCCn1nccc1/C=C1\SC(=S)NC1=O	853000955	ITPZOCRDMBYUKZ-VURMDHGXSA-N	253.352	1.782	10	20	CDCD	
O=C1NC2(CCN(Cc3ccccc3O)CC2)CO1	753587866	RMGSKJLGGHYEFE-UHFFFAOYSA-N	262.309	1.467	10	20	CDCD	
COc1cccc(CNC(=O)c2ccn(C)c2)c1O	764322144	KTFJKZFWMWILPJ-UHFFFAOYSA-N	260.293	1.669	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@@H]2CCCS(=O)(=O)C2)c1	862756205	TXAHSIZISYSCIA-LLVKDONJSA-N	297.376	1.142	10	20	CDCD	
CN(C)c1cc(F)c(CN2CC(=O)NCC2(C)C)cc1F	862357399	XQDQRDPFSIEQJE-UHFFFAOYSA-N	297.349	1.741	10	20	CDCD	
C[C@@H](C[C@H]1CCOC1)NC(=O)c1cc(O)cs1	760141751	XOUGSXGMPZIUIQ-DTWKUNHWSA-N	255.339	1.999	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1cnc(O)n1C	865904909	UHTHWFOZIDXCRP-UHFFFAOYSA-N	288.351	1.430	10	20	CDCD	
Cc1ccc(/C=C2/SC(=S)N(CC(N)=O)C2=O)nc1	761786036	MDEOJPGRLTWFMA-RUDMXATFSA-N	293.373	1.077	10	20	CDCD	
CCN1CC[C@@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1	1039061525	QPMHUMHAYSEAON-GFCCVEGCSA-N	289.339	1.673	10	20	CDCD	
CCN(C[C@H](O)CO[C@@H](C)COC)c1ccc(OC)cc1	773776065	LHIJBSTWIXMBJL-ZFWWWQNUSA-N	297.395	1.934	10	20	CDCD	
NC(=O)c1ccc(COC(=O)c2cccc(O)c2O)cc1	776281467	DYKRUXQZXMTKLO-UHFFFAOYSA-N	287.271	1.554	10	20	CDCD	
Nc1ccc(NC(=O)C(=O)N2CC[C@H](CF)C2)cc1	883616767	RQSOCCKKNKNCKU-SECBINFHSA-N	265.288	1.025	10	20	CDCD	
COc1cc(O)c(CN2CCC[C@]2(C)CO)cc1OC	789556578	CTUOMDFXIIIPCI-OAHLLOKOSA-N	281.352	1.756	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@@H](F)C(F)(F)F)c1	788301015	ZUFDPOBJQZKQGV-SECBINFHSA-N	281.205	1.917	10	20	CDCD	
COC(C)(C)CNC(=O)c1c(F)ccc(O)c1O	789991227	YRHCGKOVVZIWDY-UHFFFAOYSA-N	257.261	1.392	10	20	CDCD	
COc1ccc(CN[C@H](CO)C2CC2)c(O)c1OC	892966689	XXYVQGUTBVZKMI-LLVKDONJSA-N	267.325	1.270	10	20	CDCD	
COc1cccc(CNC(=O)NCc2cn(C)cn2)c1O	898628787	VYVFBPRBRWFRBN-UHFFFAOYSA-N	290.323	1.134	10	20	CDCD	
COc1ccc(O)c(CN2CC(=O)N(C)C[C@@H]2C)c1	783728459	IPKCEAIRJLJZFO-JTQLQIEISA-N	264.325	1.063	10	20	CDCD	
COC[C@H](C)OC[C@@H](O)CN(C)Cc1ccccc1O	278349033	MMYYSWUWWYNZIX-JSGCOSHPSA-N	283.368	1.236	10	20	CDCD	
COc1ccc(CNC(=O)Cc2cc(C)on2)c(O)c1	794387402	GOLVVAQOVWTCCY-UHFFFAOYSA-N	276.292	1.556	10	20	CDCD	
CCCOCC(=O)NCc1ccc(OC)cc1O	794381034	IMMUUOFKCYHWST-UHFFFAOYSA-N	253.298	1.444	10	20	CDCD	
CCN1CCC[C@@H](NCc2cc(F)cc(F)c2O)C1=O	722353685	NPJFLFHAIOYZJL-GFCCVEGCSA-N	284.306	1.771	10	20	CDCD	
CN(C)C(=O)[C@@H]1CCCN1Cc1cc(F)ccc1O	179895309	RHBASPFFJHRIIM-LBPRGKRZSA-N	266.316	1.584	10	20	CDCD	
CC(=O)NCCC1=CCN(c2cnc(F)cn2)CC1	1089802135	GCMGBENTZVYLTR-UHFFFAOYSA-N	264.304	1.278	10	20	CDCD	
Cc1ccc(C(=O)OCC(=O)OC(C)C)c(O)c1O	1318111661	MLGNLTHBEFLTGR-UHFFFAOYSA-N	268.265	1.515	10	20	CDCD	
Cn1nnc2c1CC[C@@H](NCc1ccc(N)cc1)C2	1334774193	GHJWDMLVFKTTQH-GFCCVEGCSA-N	257.341	1.044	10	20	CDCD	
C[C@@H](Nc1cc(=O)n(C)c(O)n1)c1ccc(N(C)C)cc1	1339665371	FYNONMHHLAAAHI-SNVBAGLBSA-N	288.351	1.725	10	20	CDCD	
C[C@@H](NC(=O)NCCCCN)c1ccccc1O	1332542450	JRBRRWSECGKYKK-SNVBAGLBSA-N	251.330	1.491	10	20	CDCD	
COC(=O)NC(C)(C)C(=O)NCc1ccc(N)cc1	1342022970	RDFMBHDSIUZYHA-UHFFFAOYSA-N	265.313	1.020	10	20	CDCD	
C[C@@H]1SCC[C@@H]1NC(=O)NCc1ccc(N)cc1	1353438064	ITBKODODNQPWMQ-CABZTGNLSA-N	265.382	1.962	10	20	CDCD	
C[C@@H](C[C@@H]1CCOC1)NC(=O)NCc1ccc(N)cc1	1357261975	PAKCULUEVNNRPF-AAEUAGOBSA-N	277.368	1.883	10	20	CDCD	
C[C@H](NCCn1cc(C(=O)O)nn1)c1c(O)cccc1F	1604341868	SIQANEMDDXUXOX-QMMMGPOBSA-N	294.286	1.172	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)NC1CC(C(=O)O)C1	1601239226	VTTTXSAZGIPXFJ-RQOWECAXSA-N	277.276	1.090	10	20	CDCD	
C[C@H](NCCOCCN(C)C)c1cc(C(=O)O)ccc1O	1604341251	OYORWRCAYBXERD-NSHDSACASA-N	296.367	1.319	10	20	CDCD	
C[C@@H](NCCNC1CC1)c1cc(C(=O)O)ccc1O	1604341513	GGIBAYWJXPMEDY-SECBINFHSA-N	264.325	1.493	10	20	CDCD	
Nc1ccc(CNC(=O)c2ccc(-n3ccnc3)nc2)cc1	1580445497	GWKKJRVUPDSTGU-UHFFFAOYSA-N	293.330	1.780	10	20	CDCD	
COc1cc(C)cc(CN[C@@H]2CC=C(C(=O)O)C2)c1O	1599392946	WYSXUFGSSJJTCQ-GFCCVEGCSA-N	277.320	1.972	10	20	CDCD	
CCCS(=O)(=O)NCc1cc(OC)ccc1O	151355157	DAWYIHFVNFOPMP-UHFFFAOYSA-N	259.327	1.230	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CC[C@H]2CO)c1O	934024446	CYEFRPMHHDRGLM-NSHDSACASA-N	253.273	1.301	10	20	CDCD	
CN1CCC[C@H](N2CCCc3cc(CN)ccc32)C1=O	852741520	UVDPPAWIDUAWKR-HNNXBMFYSA-N	273.380	1.519	10	20	CDCD	
CNC(=O)[C@@]1(C)CCN(Cc2c(C)cccc2O)C1	877494622	MQDRJUWEJGVNNT-HNNXBMFYSA-N	262.353	1.659	10	20	CDCD	
Cc1cc(NS(=O)(=O)c2ccc(C(=O)O)o2)ccc1O	148138049	YPZUTDGXKPNOBY-UHFFFAOYSA-N	297.288	1.793	10	20	CDCD	
c1cc(N2CCCC2)ccc1CNC[C@H]1COCCO1	37998273	GHPYBFKBPAEYBX-INIZCTEOSA-N	276.380	1.792	10	20	CDCD	
Nc1ccc(NC(=O)NCCOC(F)(F)F)cc1	398241349	XKQJHFOKGWENSR-UHFFFAOYSA-N	263.219	1.927	10	20	CDCD	
COCCOc1ccccc1NC[C@H](O)COC	819426214	LSPOKLDHPCTHNN-NSHDSACASA-N	255.314	1.131	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccon1	173186416	SGTJEPOPBYACHJ-UHFFFAOYSA-N	273.292	1.780	10	20	CDCD	
Cc1cc(C(=O)NCC[C@H](C)O)c(C)n1-c1ccccn1	118719008	WNRXLRKMYYNZMZ-LBPRGKRZSA-N	287.363	1.990	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1c[nH]c(C#N)c1	186391189	XUYNRERHLQHEKQ-VIFPVBQESA-N	285.303	1.659	10	20	CDCD	
Cc1ccc(C(=O)N[C@H]2C[C@@H](O)C2(C)C)c(O)c1O	190590340	IXEQGFHEWLUUFR-VHSXEESVSA-N	265.309	1.295	10	20	CDCD	
C[C@H](NC(=O)Cc1ccc(N)cc1)c1cnn(C)c1	82284162	WYXGFGZTXSIMGR-JTQLQIEISA-N	258.325	1.422	10	20	CDCD	
CCCOc1ccc(CN2CCC[C@H]2C(=O)NC)c(O)c1	133611218	AAKKBPGPOFNXDQ-AWEZNQCLSA-N	292.379	1.891	10	20	CDCD	
COC(=O)c1cnc(SCC(=O)NC2CC2)s1	295296227	LXBXKYOHBXGWSD-UHFFFAOYSA-N	272.351	1.300	10	20	CDCD	
COc1ccc(O)c(CN2CCO[C@@H]([C@H]3CCCO3)C2)c1	245944241	VFODKLMUQSGBOI-HZPDHXFCSA-N	293.363	1.781	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)COCCOC	268465850	AQRRNYCUXJRWNJ-UHFFFAOYSA-N	281.352	1.794	10	20	CDCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N1CCO[C@H]2C[C@H]21	366172876	SUPKPRZLSKOGFF-CVEARBPZSA-N	299.374	1.746	10	20	CDCD	
CN(C)c1ccc(CN(C)[C@@H]2COC[C@H]2O)cc1F	289224385	CPOXVHWYVJCDEH-ZIAGYGMSSA-N	268.332	1.083	10	20	CDCD	
CCCN(Cc1cc(F)ccc1O)[C@@H]1CC(=O)N(C)C1=O	282843037	CVHUWZBHUIGSIX-GFCCVEGCSA-N	294.326	1.501	10	20	CDCD	
Cc1nnc([C@@H](C)NC(=O)c2ccc(C)c(O)c2O)[nH]1	286229886	CNVAKTANPAEGCJ-SSDOTTSWSA-N	276.296	1.324	10	20	CDCD	
CC(C)[C@@H](CO)CNCc1ccc(N2CCOCC2)cc1	394069079	ITBGMXKNMAMCAJ-MRXNPFEDSA-N	292.423	1.877	10	20	CDCD	
COc1ccc(N(C)Cc2nc(C)n[nH]2)cc1F	292410791	KIQWCHAQKAAFOU-UHFFFAOYSA-N	250.277	1.897	10	20	CDCD	
OCCc1ccc(NCc2cc3c(cc2O)OCO3)cn1	808432221	GSKGSSYAMYJGKE-UHFFFAOYSA-N	288.303	1.663	10	20	CDCD	
COCCC(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1	819581935	GNJGLMSOUCSYJY-ZDUSSCGKSA-N	292.379	1.674	10	20	CDCD	
COC[C@]1(CN[C@H](C)c2cc(OC)ccc2O)CCCN1	817974194	JDRCWKBLFUYMTL-MLGOLLRUSA-N	294.395	1.820	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@H]2CCc3nncn3C2)cc1	814254853	LGBJUAHVWBYDSR-ZDUSSCGKSA-N	299.378	1.223	10	20	CDCD	
CC(C)(C)c1cnc(SCC(=O)NCC(=O)O)s1	819932650	RRQFKQYMTYTCLQ-UHFFFAOYSA-N	288.394	1.734	10	20	CDCD	
COc1ccc2c(c1)CCCN2CCCS(N)(=O)=O	729469437	DIWHBXGAKICBAU-UHFFFAOYSA-N	284.381	1.126	10	20	CDCD	
COc1ccc(O)c(CN2CCC[C@@H](n3ccnn3)C2)c1	822503043	DBFVSGFRZRGVOB-CYBMUJFWSA-N	288.351	1.829	10	20	CDCD	
CCOCc1cc(CN[C@@H](C)CC(=O)NC)ccc1OC	825068854	YYAJEAPMWPZJJD-LBPRGKRZSA-N	294.395	1.846	10	20	CDCD	
CO[C@@H](C)CS(=O)(=O)Nc1ccc(O)c(F)c1F	830185347	ZNWCSPOVCCLEFR-LURJTMIESA-N	281.280	1.447	10	20	CDCD	
COC[C@]1(CO)CCN(Cc2ccc(N(C)C)c(C)c2)C1	832401062	RRGDVMAWQSKVCG-QGZVFWFLSA-N	292.423	1.892	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)[C@@H]1CCNC1=O	830140650	FSLBAUQBNAWMNI-GFCCVEGCSA-N	276.336	1.267	10	20	CDCD	
COc1cc(O)c(CN2CC[C@@](C)(C(=O)O)C2)cc1OC	833729274	ITAKGUASPYNKKZ-OAHLLOKOSA-N	295.335	1.706	10	20	CDCD	
CCS(=O)(=O)C[C@H](C)NC(=O)c1cc(O)cs1	733368908	DHGUGYQVHARMGZ-ZETCQYMHSA-N	277.367	1.007	10	20	CDCD	
c1csc(Sc2nnnn2C[C@@H]2CCCO2)n1	836183549	ZXGNTAKBNRCRCT-ZETCQYMHSA-N	269.355	1.460	10	20	CDCD	
C[C@H](Cc1cnc[nH]1)C(=O)NCCc1ccc(N)cc1	911782455	JMVHEHXELGLTBU-LLVKDONJSA-N	272.352	1.529	10	20	CDCD	
NCCC(=O)NC[C@H]1CCCCN1Cc1ccccc1O	843122010	MXDDTACINXHECC-CQSZACIVSA-N	291.395	1.212	10	20	CDCD	
CCS(=O)(=O)CCCNCc1c(O)cccc1Cl	840973349	KHFWZZHTOZNZPV-UHFFFAOYSA-N	291.800	1.960	10	20	CDCD	
COc1ccc(N2CCC(N[C@H](C)CC(N)=O)CC2)cc1	749129238	XKWCHTYXAOGYRG-GFCCVEGCSA-N	291.395	1.518	10	20	CDCD	
CN(C(=O)C(=O)Nc1ccc(N)cc1)C1CC(C)(C)C1	841140660	GUCBDFHJEJJHJF-UHFFFAOYSA-N	275.352	1.854	10	20	CDCD	
COC(=O)[C@@H](C)OC(=O)c1ccc(C)c(O)c1O	744910918	TYXXFZLTEPZYJG-SSDOTTSWSA-N	254.238	1.125	10	20	CDCD	
CCN(CC)c1ccc(CN(C)C[C@](C)(O)CNC)cc1	846221528	MTQOOCDXYLFZOM-QGZVFWFLSA-N	293.455	1.935	10	20	CDCD	
Oc1cccc2c1[C@@H](NCC[C@]1(O)CCCOC1)CC2	846211025	FLPCSTGFJURHRV-XJKSGUPXSA-N	277.364	1.901	10	20	CDCD	
CCNCCNC(=O)N(C)Cc1ccccc1O	841934797	KVQOWOSTLLFDKE-UHFFFAOYSA-N	251.330	1.143	10	20	CDCD	
CN(C)c1ccc(CNCC[C@]2(O)CCCOC2)cc1	846109915	KOZDDPJKZQPPLK-MRXNPFEDSA-N	278.396	1.774	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)COC(F)(F)F	935312432	XPAJBSUPNRYXSX-ZETCQYMHSA-N	293.241	1.681	10	20	CDCD	
CCOc1ccc(CN2CC[C@@H](CO)C2)c(O)c1	769245726	VHSLCPNKZCFGGX-LLVKDONJSA-N	251.326	1.605	10	20	CDCD	
COCCOC[C@H](C)NC(=O)N[C@H](C)c1ccccc1O	868379002	HYBCVRQPTFRLMD-NWDGAFQWSA-N	296.367	1.804	10	20	CDCD	
CN(C)c1cc(F)c(CNC2(C)COC2)cc1F	864050129	VSTPRZULDPYFER-UHFFFAOYSA-N	256.296	1.909	10	20	CDCD	
COc1cc(C)cc(CNCCN2CCOC[C@@H]2C)c1O	1119445865	QSPBVGKPGWXEGK-ZDUSSCGKSA-N	294.395	1.520	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1C[C@@H]2CC[C@H](C1)N2	873217268	YWJFXROZVFFSAE-GASCZTMLSA-N	259.397	1.997	10	20	CDCD	
COC1(CNC(=O)c2ccc(C)c(O)c2O)CCOCC1	780991772	NFAWFCBARWLWNK-UHFFFAOYSA-N	295.335	1.332	10	20	CDCD	
C[C@@H](CO[C@H]1CCOC1)NCc1cc(F)cc(F)c1O	883034092	LOFPEUANLLTQHA-CABZTGNLSA-N	287.306	1.954	10	20	CDCD	
COCC1(C(=O)NCc2cccc(O)c2O)CCC1	1123977603	JJXHTFGVNFJFST-UHFFFAOYSA-N	265.309	1.531	10	20	CDCD	
O=S(=O)(CCC1CC1)NCc1ccccc1O	271255382	JCYVESLAPLTSDC-UHFFFAOYSA-N	255.339	1.612	10	20	CDCD	
COc1ccc(CNCCc2cnccn2)c(O)c1OC	893284757	IWNCPORKLTXEJV-UHFFFAOYSA-N	289.335	1.532	10	20	CDCD	
COc1ccc(O)c(CN2C[C@H](CN)C[C@H]2C)c1	215995161	YYZWETPHPQILNP-MNOVXSKESA-N	250.342	1.570	10	20	CDCD	
O=C1NCCCC[C@H]1NCc1cc(F)cc(F)c1O	708497231	QDKFXWKLNQTNNU-LLVKDONJSA-N	270.279	1.429	10	20	CDCD	
COCCC1(CNC(=O)c2cccc(O)c2O)CC1	193140093	XRKKBWMFEZJOEG-UHFFFAOYSA-N	265.309	1.644	10	20	CDCD	
COC/C=C\C(=O)N(C)Cc1ccc(N(C)C)cc1	791304766	DXMRMJWCDZZFBN-WAYWQWQTSA-N	262.353	1.914	10	20	CDCD	
COc1ccc(CNC(=O)C2(OC)CCC2)c(O)c1	794376685	AKHBWYBOHNWHOW-UHFFFAOYSA-N	265.309	1.586	10	20	CDCD	
CCO[C@H]1C[C@@H]1C(=O)NCc1ccc(OC)cc1O	794380745	BERWIHRCNAWSRD-AAEUAGOBSA-N	265.309	1.442	10	20	CDCD	
COc1ccc(CNC(=O)[C@@]2(C)CCCOC2)c(O)c1	794377225	PGELBLIYTKJYEZ-HNNXBMFYSA-N	279.336	1.834	10	20	CDCD	
CC[C@](C)(OC)C(=O)NCc1cc(OC)ccc1O	795102413	XDRGWHXCIJTIPA-AWEZNQCLSA-N	267.325	1.832	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NCCN2CCOC2=O)c1	775375590	NODFYWSOFHOPMS-SNVBAGLBSA-N	280.324	1.504	10	20	CDCD	
COc1cccc(O)c1CN[C@H]1C[C@H](O)C1(C)C	778193313	ZKLDBUBTNUZFQI-STQMWFEESA-N	251.326	1.650	10	20	CDCD	
CCn1ncnc1CNCc1cccc(OC)c1O	793345617	FYNZDZOJGJLGCX-UHFFFAOYSA-N	262.313	1.302	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)C(=O)N1CCC[C@@H](F)C1	1327336744	JKVGCAOFOKIIST-GFCCVEGCSA-N	294.326	1.311	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNC[C@H](C)C(=O)O)c1O	1326836997	MSLCMCMWHVCLPG-ZETCQYMHSA-N	284.268	1.119	10	20	CDCD	
CN1CCCc2cc(CNC(=O)NC/C=C/CO)ccc21	1327659299	AVSODCHDBWQVMQ-NSCUHMNNSA-N	289.379	1.417	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@H](C)n2ccnc2)c1	1335332474	VHSPQCJRTSBEGS-NSHDSACASA-N	259.309	1.775	10	20	CDCD	
CCOC(=O)[C@H](NC(=O)c1cc(O)cs1)C1CC1	1334012007	WMPRINGEUKHIFG-SNVBAGLBSA-N	269.322	1.525	10	20	CDCD	
COc1cc(N2CCCOCC2)c([N+](=O)[O-])cc1OC	1339559969	PCAYRBHPVIWLDU-UHFFFAOYSA-N	282.296	1.839	10	20	CDCD	
CN(CCOCC1CC1)C(=O)NCc1ccc(N)cc1	1262603264	CPJFGAMKDXHRSR-UHFFFAOYSA-N	277.368	1.837	10	20	CDCD	
COCCN(CCOC)Cc1cc(OC)c(C)cc1O	159662754	RIDQEYASPFXLCG-UHFFFAOYSA-N	283.368	1.804	10	20	CDCD	
O=C(O)c1ccoc1S(=O)(=O)NCc1ccccc1O	1608956156	HLJDHQZWJMABKW-UHFFFAOYSA-N	297.288	1.162	10	20	CDCD	
O=C(O)[C@H]1CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1	1602211887	KPXCOKHQPJIEJL-MALLOTDXSA-N	291.303	1.434	10	20	CDCD	
COC[C@H](NC(=O)NCc1cc(OC)ccc1O)C1CC1	159872267	BSBUYMQXDKLUEW-ZDUSSCGKSA-N	294.351	1.625	10	20	CDCD	
Nc1ccc(CCNS(=O)(=O)CCC(F)(F)F)cc1	858610127	JVMWMLRPFJRFCB-UHFFFAOYSA-N	296.314	1.683	10	20	CDCD	
CCN(C)C(=O)CN[C@H](C)c1cc(OC)ccc1O	182463756	YCFMUMVDMLPNTN-SNVBAGLBSA-N	266.341	1.530	10	20	CDCD	
C[C@@H]1[C@H](NCc2ccccc2O)CCS1(=O)=O	379858641	NKVSBSNQZWMHDP-MWLCHTKSSA-N	255.339	1.057	10	20	CDCD	
O=S(=O)(NCCCSc1nccs1)C1CC1	173146580	HGYCGRDFXWDFLZ-UHFFFAOYSA-N	278.424	1.707	10	20	CDCD	
Oc1c(Cl)cccc1CNC[C@H]1COCCO1	124719846	ZKRRXIKQQHFEGV-JTQLQIEISA-N	257.717	1.551	10	20	CDCD	
C[C@@H]1OCC[C@]1(O)CN[C@@H]1CCc2cccc(O)c21	311954027	YGLJHKFYIOADAE-NVBFEUDRSA-N	263.337	1.509	10	20	CDCD	
Oc1ccc(Cl)cc1CNC[C@@]1(O)CCOC1	179028821	DIWKZVOKZMTEGX-LBPRGKRZSA-N	257.717	1.287	10	20	CDCD	
Cc1ccc(C(=O)NCCc2ccc(O)c(O)c2)n1C	122015312	WGVBVRLHTFUBBI-UHFFFAOYSA-N	274.320	1.717	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccncc1	183425848	RBKCYPPDKKLURO-SNVBAGLBSA-N	272.304	1.854	10	20	CDCD	
C[C@]1(O)CCCN(Cc2ccc(N3CCOCC3)cc2)C1	129473825	KNAJTQXBIGTJQU-KRWDZBQOSA-N	290.407	1.870	10	20	CDCD	
Cn1ccc(CC(=O)NCc2ccc(N3CCCC3)cc2)n1	183104336	PUOPFAWZDDJNFF-UHFFFAOYSA-N	298.390	1.879	10	20	CDCD	
Cc1cc(=O)n(C)cc1NC(=O)c1cccc(O)c1O	185785681	KHYCRIWBUODSFT-UHFFFAOYSA-N	274.276	1.357	10	20	CDCD	
CO[C@H](C)CC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	183478284	OXKDPHUGWASERC-VHSXEESVSA-N	267.325	1.570	10	20	CDCD	
CC(C)(C)N1C[C@@H](NC(=O)c2cccc(O)c2O)CC1=O	193118992	GIRFTRIBQSHLEQ-VIFPVBQESA-N	292.335	1.227	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)c1ccc(C(N)=O)s1	195495735	ZXGWHYLYHFMIJQ-UHFFFAOYSA-N	290.344	1.825	10	20	CDCD	
COc1ccc(N2CCN([C@H]3CCOC3=O)CC2)cc1F	84866040	SWCNHQRWTOHQSA-ZDUSSCGKSA-N	294.326	1.272	10	20	CDCD	
COc1cc(Cl)cc(CN2CC(C(=O)O)C2)c1O	229119088	MBVRXSOCGYKMDL-UHFFFAOYSA-N	271.700	1.571	10	20	CDCD	
COC(=O)C[C@H]1CN(Cc2cc(Cl)ccc2O)CCO1	93458447	FGRVIALBWJAOBD-LBPRGKRZSA-N	299.754	1.810	10	20	CDCD	
COCCOCCN(C)Cc1ccc(N(C)C)cc1	267505123	WJPTZZQCKWQVSY-UHFFFAOYSA-N	266.385	1.847	10	20	CDCD	
NCC[C@@H]1CCCCN1C(=O)Cc1ccc(N)cc1	294714397	CDNPQXKQHHOUFU-AWEZNQCLSA-N	261.369	1.541	10	20	CDCD	
Oc1cccc2c1[C@H](NC[C@]1(O)CCSC1)CC2	297744362	OCYMIBHSDSEVEN-BXUZGUMPSA-N	265.378	1.837	10	20	CDCD	
C[C@H]1CC(=O)NCCN1Cc1cc(F)ccc1O	368132752	GVNLUFMFACPWSU-VIFPVBQESA-N	252.289	1.242	10	20	CDCD	
COC[C@H](CNC(=O)NCc1ccc(N(C)C)cc1)OC	272975108	NKTWJTNOZSPTOR-AWEZNQCLSA-N	295.383	1.213	10	20	CDCD	
CN(CCC(N)=O)c1ccc(/C=C\C(=O)O)cc1[N+](=O)[O-]	381924376	OLHXJTROVVPNNT-HYXAFXHYSA-N	293.279	1.004	10	20	CDCD	
C[C@@H](CCCO)CNC(=O)c1c(F)ccc(O)c1O	295522858	VBFMRHWLVWIABM-QMMMGPOBSA-N	271.288	1.375	10	20	CDCD	
Cc1cc(C(=O)NCc2ccc(N(C)C)c(F)c2)n[nH]1	299426807	HAHNQKAUKMAHLL-UHFFFAOYSA-N	276.315	1.853	10	20	CDCD	
OCCNCc1cc(Br)cc(F)c1O	715713593	ROPLHWCGVRGCKT-UHFFFAOYSA-N	264.094	1.376	10	20	CDCD	
Cc1cc(CN2C[C@@H]3CNC[C@@H]3C2)ccc1N(C)C	815021087	BPNZZRLYDCAYPD-GASCZTMLSA-N	259.397	1.712	10	20	CDCD	
COc1cc(C(=O)N[C@H](C)c2ccccc2O)nn1C	827941896	ZMHVPBUDBYLFPF-SECBINFHSA-N	275.308	1.625	10	20	CDCD	
CN(C)c1ccc([C@H](CN[C@H]2CCC[C@@H]2N)N(C)C)cc1	902519249	YLGCVVCCQXLAQQ-ULQDDVLXSA-N	290.455	1.825	10	20	CDCD	
CC1=NO[C@H](C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)C1	831924016	BIAXONQEGPHUMB-SDBXPKJASA-N	278.308	1.310	10	20	CDCD	
CN(C)c1ccc(/C=C\CN2CCO[C@H](C(=O)O)C2)cc1	901488685	DWHQAIPMQXGBIF-JZIMQPMSSA-N	290.363	1.551	10	20	CDCD	
O=C(/C=C/[C@H]1CCOC1)NCc1ccc(O)cc1O	910945442	WMOXMQHWKVJXRI-DTWDLQQISA-N	263.293	1.307	10	20	CDCD	
O=C1CC[C@H](COC(=O)c2cccc(O)c2O)CCN1	837648557	SZMGIEFKIGQEAS-VIFPVBQESA-N	279.292	1.171	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1	839649028	CVMLQCACRLTVGY-AVPPRXQKSA-N	280.280	1.243	10	20	CDCD	
N=C(NCc1ccccc1O)N1CCSCC1	848984777	BGUGMLMZOWWRGL-UHFFFAOYSA-N	251.355	1.465	10	20	CDCD	
NC[C@@H]1CN(Cc2cc(F)ccc2O)CC12CCOCC2	843124657	FCCXPZTVCQFPES-CYBMUJFWSA-N	294.370	1.719	10	20	CDCD	
Oc1c(Cl)cccc1CN1CC[C@@H]2CNC[C@@H]21	841026632	MFZXSGVLJVBEBA-SKDRFNHKSA-N	252.745	1.839	10	20	CDCD	
COc1ccc(CNC(=O)[C@H](C)CC(=O)O)c(O)c1	911718826	RXEGUCHORRIAHA-MRVPVSSYSA-N	267.281	1.128	10	20	CDCD	
C[C@H]1CC[C@@H](C)N1[C@@H](C)C(=O)NCc1ccc(O)cc1O	910954573	LJBKZVKTGWEICZ-TUAOUCFPSA-N	292.379	1.975	10	20	CDCD	
CCS(=O)(=O)CCCNCc1cc(C)ccc1O	840973536	OPRWBNANQYZCCH-UHFFFAOYSA-N	271.382	1.615	10	20	CDCD	
CO[C@H](CC(=O)NCc1ccc(N)cc1)C(F)(F)F	846299148	WBUZLAWDCDSKGG-SNVBAGLBSA-N	276.258	1.852	10	20	CDCD	
O=C(N[C@H]1CCCN2CCCC[C@H]12)c1cccc(O)c1O	848351917	HOGUABJKHXNAPI-QWHCGFSZSA-N	290.363	1.845	10	20	CDCD	
COC(=O)c1ccc(/C=C2/SC(=S)NC2=O)[nH]1	748440792	NJSMSVAZVKOBEJ-QPJJXVBHSA-N	268.319	1.290	10	20	CDCD	
O=C(NCc1ccccc1O)c1cn2cccnc2n1	748345071	HICHTFYFMUPTND-UHFFFAOYSA-N	268.276	1.365	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1CC(N2CC[C@@H](O)C2)C1	846068468	SYXFWWSKBKHKAQ-QGZVFWFLSA-N	289.423	1.312	10	20	CDCD	
COc1ccc(O)c(CN[C@@H](C)[C@H]2CCCNC2)c1	841034868	XUQAJXLHJCXSNQ-RYUDHWBXSA-N	264.369	1.879	10	20	CDCD	
C[C@@H](Cc1cccnc1)NC(=O)Cc1ccc(N)cc1	1343040359	KPPFLISFKRNJMD-LBPRGKRZSA-N	269.348	1.954	10	20	CDCD	
CON(C)C(=O)[C@H](C)NCc1cc(C)ccc1O	858320099	OCFGCLUWBBYOPQ-JTQLQIEISA-N	252.314	1.199	10	20	CDCD	
C[C@@H]1C[C@H](NCCN2CC[C@@H](O)C2)c2c(O)ccc(F)c21	858546955	BJFPSVWJTNVURJ-WZRBSPASSA-N	294.370	1.736	10	20	CDCD	
CCN(CCCO)Cc1ccc(N2CCOCC2)cc1	769484745	YAWATLUPHLAUDU-UHFFFAOYSA-N	278.396	1.728	10	20	CDCD	
CN(C)c1cc(F)c(CN2C[C@@H]3[C@@H](CO)[C@@H]3C2)cc1F	862373892	HOSFOYVGWCLUMU-GDNZZTSVSA-N	282.334	1.701	10	20	CDCD	
CCN(CC(=O)NC)Cc1cc(F)c(N(C)C)cc1F	862219990	JHWRGHZRKJVPGI-UHFFFAOYSA-N	285.338	1.599	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)CCN2CCCC2=O)c1	862758673	GTFDRUAQMDTVSU-UHFFFAOYSA-N	276.336	1.329	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN[C@H]1CCCNC(=O)C1	877031081	LWXKYYBNWXUHPO-AWEZNQCLSA-N	275.396	1.819	10	20	CDCD	
O=C(N[C@H]1CCC[C@@H]1CCO)c1cc(O)cs1	779664428	UFJXVUJCPJQUSD-SCZZXKLOSA-N	255.339	1.735	10	20	CDCD	
CC(=O)NC[C@H]1CCCCN1C(=O)Cc1ccc(N)cc1	877119209	VAXZWDKPCUOUJX-OAHLLOKOSA-N	289.379	1.329	10	20	CDCD	
CC(C)CN(C)S(=O)(=O)NCc1ccc(N(C)C)cc1	777957181	SAKHCHNSPUQYDH-UHFFFAOYSA-N	299.440	1.675	10	20	CDCD	
Cc1cc(C(=O)NCc2ccc(O)c(O)c2)ncn1	778927289	ODQALDYOFGNSQE-UHFFFAOYSA-N	259.265	1.126	10	20	CDCD	
COCCOC1CN(Cc2c(O)cccc2Cl)C1	779431726	CUNQTUJWQKOJJC-UHFFFAOYSA-N	271.744	1.893	10	20	CDCD	
CN(C(=O)C(C)(C)S(=O)(=O)C1CC1)c1ccc(N)cc1	877076939	XMIXNDBARUMEGS-UHFFFAOYSA-N	296.392	1.587	10	20	CDCD	
C[C@@H](NC(=O)N1CC[C@@](C)(O)C1)c1ccc(N(C)C)cc1	776250211	SOUCYTJXKWYBRQ-MLGOLLRUSA-N	291.395	1.980	10	20	CDCD	
Cn1cc(CCNC(=O)NCc2ccc(N)cc2)cn1	1120481215	NNWKBDDGYWXBPH-UHFFFAOYSA-N	273.340	1.044	10	20	CDCD	
O=C(O)C1(C(=O)NCCCSc2nccs2)CC1	777859369	CCDMMZZURXAYHX-UHFFFAOYSA-N	286.378	1.606	10	20	CDCD	
O=C(COC(=O)C1[C@@H]2CCC[C@@H]12)c1ccc(O)c(O)c1	784565886	PBLYLVJCLUOKRO-NXEZZACHSA-N	276.288	1.870	10	20	CDCD	
NC(=O)[C@H]1CCC[C@@H](C(=O)NCc2ccccc2O)C1	787131055	GBVDKJWUQDYCNZ-WDEREUQCSA-N	276.336	1.300	10	20	CDCD	
Cc1ccc(C(=O)N[C@](C)(CO)C2CC2)c(O)c1O	780984203	UBSFITRTNMNBRE-CQSZACIVSA-N	265.309	1.297	10	20	CDCD	
COc1cccc(CNC(=O)[C@]2(C)CC(C)=NO2)c1O	1120708821	ICQWORIROFXAOC-AWEZNQCLSA-N	278.308	1.572	10	20	CDCD	
COc1ccc(CN2CC[C@](F)(CO)C2)c(O)c1OC	894282263	ZLTLGQHBVBKQSR-CQSZACIVSA-N	285.315	1.316	10	20	CDCD	
COc1cccc(O)c1CN1CCc2ncncc2C1	895723615	YMUFCUPVMPVNLV-UHFFFAOYSA-N	271.320	1.749	10	20	CDCD	
CC(C)[C@@](C)(O)CNC(=O)c1cccc(O)c1O	193100101	PPNIZZMJLORJKU-ZDUSSCGKSA-N	253.298	1.235	10	20	CDCD	
COC[C@@H](CO)N[C@H](C)c1cc(F)cc(F)c1O	794835406	JSRQUXKSEQMLJJ-VXNVDRBHSA-N	261.268	1.328	10	20	CDCD	
COc1ccc(CNC(=O)c2cncc(OC)n2)c(O)c1	794377852	LMVZFNBOBVBBSQ-UHFFFAOYSA-N	289.291	1.129	10	20	CDCD	
NC(=O)N=Nc1ccc(C(=O)NCCNCC2CC2)cc1	1153047857	NZOFAICNRLOMMP-UHFFFAOYSA-N	289.339	1.578	10	20	CDCD	
CCN(CC(N)=O)Cc1ccc(N2CCCC2)cc1	1255657431	IEJCVLBDIIFVKE-UHFFFAOYSA-N	261.369	1.594	10	20	CDCD	
C/C=C/C[C@@H](CO)NC(=O)NCc1ccc(N)cc1	1337019290	RIXCJXAFULOUES-IBUXWKBASA-N	263.341	1.395	10	20	CDCD	
CN(C)C(=O)N1CCN(Cc2ccc(N)cc2)C(C)(C)C1	1345160071	QODIHWSCWKYAII-UHFFFAOYSA-N	290.411	1.847	10	20	CDCD	
O=C(NCc1ccccc1O)[C@@H]1C[C@H]2C=C[C@H]1NC2	1341703331	ODJAEUZDRAVGNX-RAIGVLPGSA-N	258.321	1.173	10	20	CDCD	
CN(CCCN)Cc1cc(Br)ccc1O	220231508	DZVWQIYQGKQPSD-UHFFFAOYSA-N	273.174	1.935	10	20	CDCD	
O=C(O)[C@H]1CCCCCN1C(=O)Cc1ccc(O)c(O)c1	1601811309	LCKMHXCCNHAQTI-LLVKDONJSA-N	293.319	1.496	10	20	CDCD	
O=C(O)CC1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1	1608697419	ALMLMFHHZZZSIR-UHFFFAOYSA-N	293.319	1.354	10	20	CDCD	
COc1ccc(O)c(CN[C@H](C[C@@H]2CCCO2)C(=O)O)c1	1607277802	VOPGTPKIYKGKNX-QWHCGFSZSA-N	295.335	1.513	10	20	CDCD	
C[C@@H](N[C@@H]1CNC[C@H]1C)c1cc(C(=O)O)ccc1O	1604357024	FVDLLHOOBKZRPC-KBVBSXBZSA-N	264.325	1.349	10	20	CDCD	
O=[N+]([O-])c1ccc(O)c(CN[C@H]2CCCNC2)c1	1580875868	SXRNAHOFNUXXKL-JTQLQIEISA-N	251.286	1.142	10	20	CDCD	
CC[C@H](CCO)N[C@H](C)c1cc(C(=O)O)ccc1O	1595128104	GTAGILISZWRZFH-MWLCHTKSSA-N	267.325	1.902	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@H](N)C(C)(C)C)cc1	40825954	NUDAUTXEDKMGGU-CYBMUJFWSA-N	263.385	1.742	10	20	CDCD	
CC(C)[C@](C)(NCc1ccc(N(C)C)cc1)C(N)=O	297727448	SEPBRRWNVOUEBA-HNNXBMFYSA-N	263.385	1.742	10	20	CDCD	
COCCC1CCN(C(=O)c2cccc(O)c2O)CC1	529635715	YMGWLKJWXJYEJG-UHFFFAOYSA-N	279.336	1.987	10	20	CDCD	
CCOc1cccc(CN[C@H]2CC(=O)N(CC)C2)c1O	391550482	SNAMRCHICGHSSM-LBPRGKRZSA-N	278.352	1.501	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)c2nccnc2N)cc1	57117655	VTDGEEPFESLKLF-UHFFFAOYSA-N	299.378	1.835	10	20	CDCD	
C[C@@H](CCO)NCc1ccc(N2CCOCC2)c(F)c1	304283904	KYVAEHVOQUTOKP-LBPRGKRZSA-N	282.359	1.523	10	20	CDCD	
CSc1ccccc1C(=O)N1CCS(=O)CC1	170981794	JYZSVMOFHHVLMU-UHFFFAOYSA-N	269.391	1.613	10	20	CDCD	
CC(C)NC(=O)CCNC(=O)/C=C/c1ccc(O)c(O)c1	180663986	QYOHHMUELFQCOB-GQCTYLIASA-N	292.335	1.142	10	20	CDCD	
Cc1noc2ncc(C(=O)NCc3ccc(O)c(O)c3)cc12	182544945	SOMQNHOMFNGITG-UHFFFAOYSA-N	299.286	1.872	10	20	CDCD	
CC(=O)c1cc(Cl)cc(CNC(C)(C)CC(N)=O)c1O	186229729	DRINSPXYJYMMIW-UHFFFAOYSA-N	298.770	1.992	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@H]2CSCN2)cc1	40825788	MUHACIUUBNODRW-LBPRGKRZSA-N	265.382	1.031	10	20	CDCD	
COCCN(CC(=O)OC)Cc1cc(C)c(C)cc1O	93416215	AUIUTAVNCODMMA-UHFFFAOYSA-N	281.352	1.630	10	20	CDCD	
CN(C)c1ccc(CN2CCNC(=O)C2(C)C)cc1	93084165	GWYPKQAFXJBYTA-UHFFFAOYSA-N	261.369	1.463	10	20	CDCD	
CO[C@H]1CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)C1	267884656	SSAOHUMSMGGPTQ-LBPRGKRZSA-N	295.358	1.822	10	20	CDCD	
O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1C[C@@]12CCNC2	364211804	IXBKCVKUNRCLCP-FUHWJXTLSA-N	299.418	1.903	10	20	CDCD	
COC[C@H](O)CN[C@@H](C)c1ccc(C)c(C)c1O	273558564	HNCUWXHGSMCPAL-NWDGAFQWSA-N	253.342	1.667	10	20	CDCD	
C[C@@H](CN1CCCCC1)NC(=O)c1c(F)ccc(O)c1O	276499061	BVZMQDBJONVOEY-JTQLQIEISA-N	296.342	1.841	10	20	CDCD	
COc1cccc(CNC(=O)[C@H]2CCO[C@@H](C)C2)c1O	271858951	LDGQSKUCTPUWBG-QWRGUYRKSA-N	279.336	1.832	10	20	CDCD	
C[C@@H]1CN(Cc2c(O)cccc2Cl)C[C@@H](C(N)=O)O1	271247946	CWJKXSRKSXVVSN-PELKAZGASA-N	284.743	1.120	10	20	CDCD	
CC[C@H](NCc1nncn1C)c1ccc(F)cc1O	285703328	PFHDVTCDQLBCAA-NSHDSACASA-N	264.304	1.901	10	20	CDCD	
Cc1cccc(CN2C[C@H](N3CCOCC3)C[C@@H]2C)c1O	289537605	HWICPJDQFXMRIF-GOEBONIOSA-N	290.407	1.996	10	20	CDCD	
C[C@@H]1NCC[C@@H](C)[C@@H]1NC(=O)Cc1ccc(N)cc1	295084459	SLPSRCMFVPCTHF-ZETOZRRWSA-N	261.369	1.314	10	20	CDCD	
CCOC(=O)/C(=C\c1cnccn1)c1nccn1C	809155377	VRJAOTSRRUPVSP-FLIBITNWSA-N	258.281	1.314	10	20	CDCD	
COCC1(CNCc2cccc(OC)c2O)CCOCC1	291772547	SZNDAMWYXVVTAF-UHFFFAOYSA-N	295.379	1.934	10	20	CDCD	
CCc1nocc1CN(C)C(=O)c1cccc(O)c1O	294224512	UMZWAWCJMKOMNV-UHFFFAOYSA-N	276.292	1.920	10	20	CDCD	
Cc1cc(O)c(CN[C@H]2CCC(=O)N(C)C2=O)cc1C	818234389	ZDKUHLJIDMYQEX-LBPRGKRZSA-N	276.336	1.246	10	20	CDCD	
C[C@H](NC[C@H]1CNCCO1)c1ccc(N(C)C)cc1	817982796	HJRATNVXIHYXBH-SWLSCSKDSA-N	263.385	1.392	10	20	CDCD	
C[C@H](CC(=O)O)N1CCN(C(=O)c2cc(O)cs2)CC1	827374555	IQAHPGDWKRBPCS-SECBINFHSA-N	298.364	1.075	10	20	CDCD	
CN1CCCc2cc(CNC(=O)[C@@H](N)C3CCC3)ccc21	827913751	KQJFJFZKBQDMJU-INIZCTEOSA-N	287.407	1.813	10	20	CDCD	
CCc1cc(C(=O)NCc2cc(OC)ccc2O)n(C)n1	821064931	ITZBHHBNVLAERG-UHFFFAOYSA-N	289.335	1.627	10	20	CDCD	
CCn1nncc1C(=O)N[C@H](C)c1ccccc1O	827952627	YYSXJESYQHCVKE-SECBINFHSA-N	260.297	1.495	10	20	CDCD	
CCCCNC(=O)COC(=O)c1cc(O)cs1	731909807	KZGPITJIOVSFTB-UHFFFAOYSA-N	257.311	1.527	10	20	CDCD	
CSC(C)(C)C(=O)NCCc1ccc(O)c(O)c1	830531516	JFUJCXGCWMYXNQ-UHFFFAOYSA-N	269.366	1.898	10	20	CDCD	
CCOC(=O)[C@@H](CC)C(=O)N(C)Cc1ccccc1O	839541904	JGEVFBTYFYRNES-LBPRGKRZSA-N	279.336	1.940	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)C(F)(F)C(F)F	910951954	ZLWPMFULSYGAJR-UHFFFAOYSA-N	267.178	1.614	10	20	CDCD	
CSC[C@H]1CCCN1C(=O)C(=O)Nc1ccc(N)cc1	841070264	NMJHYXPCBCCNSP-GFCCVEGCSA-N	293.392	1.561	10	20	CDCD	
Nc1ccc(NC(=O)C(=O)N2CCC[C@H]3CCC[C@@H]32)cc1	841052604	VBPMVJFONULKOS-RISCZKNCSA-N	287.363	1.998	10	20	CDCD	
CC[C@](C)(OC)C(=O)NCc1ccc(O)cc1O	910946541	PLCVYBWBDVQSSZ-ZDUSSCGKSA-N	253.298	1.529	10	20	CDCD	
COc1cccc([C@@H](C)NCCN2CCOC[C@H]2C)c1O	846143731	GKKKDPTZQCQVCE-CHWSQXEVSA-N	294.395	1.772	10	20	CDCD	
Cn1cc(/C=C\C(=O)N2CCSc3ncccc32)cn1	741958056	YJOSKOWFXOMVDS-PLNGDYQASA-N	286.360	1.967	10	20	CDCD	
CC[C@H](C)C[C@H](CO)NC(=O)c1cc(O)cs1	844150170	XKJXIRHVAQJKAO-DTWKUNHWSA-N	257.355	1.981	10	20	CDCD	
COc1cccc([C@H](C)NC[C@]2(C)CCC(=O)N2)c1O	846168249	IYMYYQBAPBLUST-BONVTDFDSA-N	278.352	1.720	10	20	CDCD	
C[C@@H](CCO)N(C)C(=O)/C=C\c1ccc(O)c(O)c1	846602191	QEXHXXISCVFRML-OAQKJQOQSA-N	265.309	1.340	10	20	CDCD	
C[C@H](C(=O)O)C(=O)NCCCSc1nccs1	842648691	YFHWRKWDFMKNAO-ZETCQYMHSA-N	274.367	1.462	10	20	CDCD	
CCOc1cccc(CNC[C@H]2CNCCCO2)c1O	841086068	LMOJEUBRZZJQKQ-CYBMUJFWSA-N	280.368	1.259	10	20	CDCD	
C[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(N)cc2)[C@@H]1C	841047477	CCYSJGPJDJQCPE-GHMZBOCLSA-N	275.352	1.854	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H]2CCCNCC2)c1O	841058990	YIGBCUMZKQTLPM-LLVKDONJSA-N	295.339	1.541	10	20	CDCD	
C[C@@H](NC[C@@H](O)CN(C)C)c1cc(F)cc(F)c1O	756551787	AQBKVHOZUFDMMH-PSASIEDQSA-N	274.311	1.244	10	20	CDCD	
COc1cccc(O)c1CN1CCC[C@H]1C(=O)NC1CC1	768520388	LGFGIOLRDHAZIR-ZDUSSCGKSA-N	290.363	1.644	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@H]2C[C@]23CCOC3)c1	862756931	BAPFCEOTUXAFFJ-DOMZBBRYSA-N	261.321	1.743	10	20	CDCD	
c1cc(N2CCCC2)ccc1CN1C[C@@H]2CNC[C@@H]2C1	1116449615	RPNOMWYTWWRKIA-IYBDPMFKSA-N	271.408	1.938	10	20	CDCD	
O=C(NCCCN1CCCCC1)c1c(F)ccc(O)c1O	763951449	FJCUHDMYJBWCIW-UHFFFAOYSA-N	296.342	1.843	10	20	CDCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(N)=O	873861351	CQXKJTTZUFCZBR-UHFFFAOYSA-N	275.352	1.121	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@]2(C)CCNC2=O)cc1F	874250869	ADXSKKJSVLZFCB-HNNXBMFYSA-N	293.342	1.034	10	20	CDCD	
C[C@H]1CC[C@H](C)N1CC(=O)NCc1ccc(O)c(O)c1	778924219	SZAPMKUPZICXNA-QWRGUYRKSA-N	278.352	1.587	10	20	CDCD	
CCN(CC)c1ccc(CN(C)C(=O)c2nc[nH]n2)cc1	773266842	ZKYWFAPMXDCBTO-UHFFFAOYSA-N	287.367	1.923	10	20	CDCD	
COc1ccc(O)c(CNC(=O)C2=CCOCC2)c1	771626377	SXGPJRPEZJZWJG-UHFFFAOYSA-N	263.293	1.364	10	20	CDCD	
CC[C@H](C(=O)OC)n1cc(COc2ccc(N)cc2)nn1	881135410	FQJQTSPZLOIAJU-CYBMUJFWSA-N	290.323	1.563	10	20	CDCD	
C[C@@H]([C@H](C)C(=O)N(C)Cc1ccccc1O)S(C)(=O)=O	788284193	ULUSUGJMVDOVHR-QWRGUYRKSA-N	299.392	1.420	10	20	CDCD	
CCN(CCOC)Cc1ccc(OC)c(OC)c1O	891584753	VIHGCISKTILMNY-UHFFFAOYSA-N	269.341	1.878	10	20	CDCD	
COc1cccc(O)c1CN1CC[C@H](C2OCCO2)C1	896383799	FGUFMYDZWGGMJO-NSHDSACASA-N	279.336	1.596	10	20	CDCD	
CONC(=O)CNCc1cc(Cl)c(C)cc1O	896925117	UYTMPFOTHZBIBX-UHFFFAOYSA-N	258.705	1.121	10	20	CDCD	
CCN(CCC(=O)NC)Cc1c(C)cccc1O	897709360	NWNVZCDBFXFZTH-UHFFFAOYSA-N	250.342	1.659	10	20	CDCD	
Oc1ccc(Cl)c(F)c1CN1C[C@@H]2CNC[C@@H]2C1	792173199	UUEUNWFHMYCHJY-DTORHVGOSA-N	270.735	1.836	10	20	CDCD	
C[C@H](NC(=O)c1cnnn1C)c1ccc(N(C)C)cc1	798502957	ZBTKWADKNYASAJ-JTQLQIEISA-N	273.340	1.372	10	20	CDCD	
Cc1ccc(CNc2cnn(CC(=O)O)c2C)c(O)c1	1600420804	OAQLXWDQQBUPIF-UHFFFAOYSA-N	275.308	1.902	10	20	CDCD	
C[C@H](CC(=O)O)C(=O)NCc1c(O)cccc1F	1604095001	LYONFDLMVWTUFA-SSDOTTSWSA-N	255.245	1.258	10	20	CDCD	
Cc1ccc(C(=O)N[C@@](C)(CCF)C(=O)O)c(O)c1O	1600338217	VIBBLYJSPNVWOY-ZDUSSCGKSA-N	285.271	1.339	10	20	CDCD	
Cn1cc(/C=C2\SC(=S)NC2=O)cc1C(=O)O	1600944702	BQMXTOGYYLFPHA-CLTKARDFSA-N	268.319	1.212	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)CCCC(=O)O	1605531363	XHNALBSFORSGTM-UHFFFAOYSA-N	286.324	1.749	10	20	CDCD	
C[C@H]1CN(Cc2cccc(F)c2O)C[C@@H](C(=O)O)O1	1599929261	CPYNRMIIDVIWIW-KWQFWETISA-N	269.272	1.205	10	20	CDCD	
CC[C@H](N[C@H](C)c1cc(C(=O)O)ccc1O)C(=O)NC	1595279206	MTDNFSUHHXJZEU-KCJUWKMLSA-N	280.324	1.266	10	20	CDCD	
COC[C@H](O)CCNCc1ccc2c(c1)CCCO2	921948077	MZYITBDOXCRKBY-CQSZACIVSA-N	265.353	1.499	10	20	CDCD	
C[C@H]1C[C@@H](C(=O)N(C)Cc2ccccc2O)CCN1	235677851	VLWVRQFGLCWYIK-RYUDHWBXSA-N	262.353	1.739	10	20	CDCD	
COc1ccc(O)c([C@H](C)N[C@@H]2CC(=O)N(C)C2)c1	273579556	MIIBRMUUGMCVBX-VHSXEESVSA-N	264.325	1.282	10	20	CDCD	
CCN(C[C@H](C)OC)C(=O)c1cccc(O)c1O	291347015	WSWGCRZOZDBKLN-VIFPVBQESA-N	253.298	1.595	10	20	CDCD	
CNC(=O)C1(C(=O)N[C@@H](C)c2cc(OC)ccc2O)CC1	106285464	NSCMHTJIJGFFEZ-VIFPVBQESA-N	292.335	1.104	10	20	CDCD	
COc1cccc(CNC(=O)[C@H](C(C)C)N(C)C)c1O	106916192	UJAKGFPSQVCMMU-ZDUSSCGKSA-N	280.368	1.603	10	20	CDCD	
Cc1ccc(C(=O)N2CCCC[C@@H]2CN(C)C)c(O)c1O	179480076	SJQBZOQMOKAUMN-GFCCVEGCSA-N	292.379	1.963	10	20	CDCD	
C[C@@H](Sc1nccs1)c1nc(N)nc(N(C)C)n1	48875354	GRMMZSHKWSNTEB-ZCFIWIBFSA-N	282.398	1.830	10	20	CDCD	
C[C@@H](N[C@@H]1CCCS(=O)(=O)C1)c1ccccc1O	69140984	FWHNMOMBLCMEFC-GHMZBOCLSA-N	269.366	1.620	10	20	CDCD	
CCC[C@H]1C(=O)NCCN1Cc1cccc(C)c1O	180552144	AKEGMOHNMKCRBN-ZDUSSCGKSA-N	262.353	1.801	10	20	CDCD	
CS(=O)(=O)CCCCCNCc1ccc2c(c1)CCO2	185214286	JHIWNYWYFVEFNI-UHFFFAOYSA-N	297.420	1.926	10	20	CDCD	
COC(=O)C[C@H]1CCCCN1C(=O)c1cccc(O)c1O	126733086	DBCNHULDDQQOHL-SNVBAGLBSA-N	293.319	1.656	10	20	CDCD	
Cc1cnc2c(c1)N(C(=O)/C=C/c1cnn(C)c1C)CCO2	126666417	PJVOLUVZWRNBEK-SNAWJCMRSA-N	298.346	1.871	10	20	CDCD	
NC(=O)c1ccc(NCc2cc3c(cc2O)OCO3)cc1	42879183	AEFSZZMIJZCWPF-UHFFFAOYSA-N	286.287	1.832	10	20	CDCD	
Cc1ccc(O)c(CN2C[C@@H](C)O[C@@H](CO)C2)c1	249487164	UOFFQJCDZAOOTM-DGCLKSJQSA-N	251.326	1.282	10	20	CDCD	
Cc1ccc(C(=O)N=c2sccn2C)c(O)c1O	254970076	KXLOOMSURATPJA-UHFFFAOYSA-N	264.306	1.547	10	20	CDCD	
COC[C@H](OC)C(=O)N1CCOc2cc(N(C)C)ccc21	611649487	JBPPIIHHTXFCDC-AWEZNQCLSA-N	294.351	1.139	10	20	CDCD	
C[C@H](NC(=O)N(C)Cc1ccccc1O)[C@H]1CCOC1	266734468	DHBVLMBDNIGEME-AAEUAGOBSA-N	278.352	1.959	10	20	CDCD	
COC1CCN(C(=O)c2c(F)ccc(O)c2O)CC1	276725312	SPCURPAFEIONSZ-UHFFFAOYSA-N	269.272	1.488	10	20	CDCD	
C[C@@H](NCC1(N2CCOCC2)CC1)c1ccccc1O	278458387	MHYSHAKMXIYCHV-CYBMUJFWSA-N	276.380	1.908	10	20	CDCD	
O=C(Nc1ncc(C2CC2)[nH]1)c1cccc(O)c1O	807663458	WCFDDJAMYSSGMJ-UHFFFAOYSA-N	259.265	1.951	10	20	CDCD	
O=C(N[C@@H]1CCCc2cn[nH]c21)c1c(F)ccc(O)c1O	294894734	JBWLFLKRNIZGBW-SECBINFHSA-N	291.282	1.767	10	20	CDCD	
Cc1ccc(O)c(CN[C@H]2CCCN(CCCO)C2)c1	295209909	ZXEARSCRODZPOX-HNNXBMFYSA-N	278.396	1.637	10	20	CDCD	
Cc1nc([C@@H](C)OC(=O)c2cccc(O)c2O)no1	811188845	AHCMCYRYTRAWEC-ZCFIWIBFSA-N	264.237	1.707	10	20	CDCD	
COCCNCCN[C@@H](C)c1ccc(F)cc1O	817964973	LSXNMHFXKSRROJ-JTQLQIEISA-N	256.321	1.418	10	20	CDCD	
C[C@H](N)CCN[C@H](C)c1cc([N+](=O)[O-])ccc1O	817953833	UXNNIEQACDQQFJ-DTWKUNHWSA-N	253.302	1.688	10	20	CDCD	
Cc1ccc(C(=O)OCCN2CCCC2=O)c(O)c1O	727003832	HWCKZDICULHNCD-UHFFFAOYSA-N	279.292	1.185	10	20	CDCD	
CN(Cc1ccccc1O)C1(CO)CCOCC1	827909912	YWDGZELXEDQZQA-UHFFFAOYSA-N	251.326	1.366	10	20	CDCD	
C[C@@H](CC(=O)O)NCc1ccc(N(C)C)c(F)c1	738890331	HMQHAPWLZKKVKS-VIFPVBQESA-N	254.305	1.845	10	20	CDCD	
C[C@H](C(=O)NCc1c(O)ccc2c1CCCC2)[C@@H](C)N	830597522	MPJOGONMPVGTBD-WDEREUQCSA-N	276.380	1.871	10	20	CDCD	
CCC1(CNC(=O)/C=C\c2ccc(O)c(O)c2)COC1	836990653	RLSDHPMSFKPZIQ-XQRVVYSFSA-N	277.320	1.654	10	20	CDCD	
COCC(COC)NC(=O)NCc1ccc(N(C)C)cc1	836235733	OGSATDXIZSHQRS-UHFFFAOYSA-N	295.383	1.213	10	20	CDCD	
Nc1ccc(NC(=O)C(=O)N2CC[C@@H](C3CC3)C2)cc1	841076610	KBDXKIRKQFCOBJ-LLVKDONJSA-N	273.336	1.466	10	20	CDCD	
CC1(O)CCC(NC(=O)NCc2ccccc2O)CC1	749596949	UNUXRPXFHIOTNZ-UHFFFAOYSA-N	278.352	1.885	10	20	CDCD	
CCCN1CC(=O)N[C@H]1c1cccc(OCC)c1O	840822033	JOKGOOCPGLVBEE-CQSZACIVSA-N	264.325	1.631	10	20	CDCD	
C[C@@H](N)CNC(=O)c1csc(Cc2ccc(N)cc2)n1	841850568	WWWJJAKVUHIHKJ-SECBINFHSA-N	290.392	1.393	10	20	CDCD	
Nc1ccc(CCNC(=O)C(=O)NCCCC2CC2)cc1	842172071	ZRZFVLSHPHQKDQ-UHFFFAOYSA-N	289.379	1.234	10	20	CDCD	
COc1ncccc1NC(=O)NCc1ccc(O)c(O)c1	745997166	COZXFAPNMDZAEU-UHFFFAOYSA-N	289.291	1.823	10	20	CDCD	
CC1(C)OC[C@H](CNC(=O)NCCc2ccc(N)cc2)O1	841873811	FMIIMCXWMKOBFD-ZDUSSCGKSA-N	293.367	1.262	10	20	CDCD	
CC[S@@](=O)CCNCc1ccc(N(C)C)cc1C	840934359	PIFUKYJBAMBVLL-GOSISDBHSA-N	268.426	1.919	10	20	CDCD	
C[C@@H](N[C@@H]1CCc2c(nnn2C)C1)c1ccc(F)cc1O	848564196	JGMYUOXRQRPGTF-MWLCHTKSSA-N	290.342	1.868	10	20	CDCD	
Cc1ccc(C(=O)N[C@H](C)C(=O)NC(C)C)c(O)c1O	840546189	DJOFTPLWZILUBH-SECBINFHSA-N	280.324	1.049	10	20	CDCD	
CCc1cccc(CN(C)[C@H](C)C(=O)OC)c1O	848908304	QMNFVIAFDMSVJH-SNVBAGLBSA-N	251.326	1.948	10	20	CDCD	
C[C@@H](O)CCOC(=O)/C=C/c1ccc(O)c(O)c1	849745255	NGTVBBDSNKXVGA-HYYFJVDXSA-N	252.266	1.425	10	20	CDCD	
CC(C)[C@H](N)CNCc1ccc(N(C)C)c(F)c1	841028860	JCAQTZBDSRCLKT-CYBMUJFWSA-N	253.365	1.965	10	20	CDCD	
Nc1ccc(CCNC(=O)N[C@H]2CCN(C3CC3)C2)cc1	841819789	FUSGUYVMDFMRED-AWEZNQCLSA-N	288.395	1.347	10	20	CDCD	
Nc1ccc(NC(=O)C(=O)NCC2=CCCC2)cc1	850852467	HUTBSNQEYLJHMR-UHFFFAOYSA-N	259.309	1.434	10	20	CDCD	
CN1C(=O)CC[C@H](NCc2ccc3c(c2)CCCO3)C1=O	922200308	CAAUGJAFZGUTGI-ZDUSSCGKSA-N	288.347	1.249	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NCC2([S@@](C)=O)CC2)c1	858426269	ODAAQAJFEVXSGO-HXUWFJFHSA-N	296.392	1.411	10	20	CDCD	
C[C@@H](CC(N)=O)N[C@@H](C)c1cc(F)cc(F)c1O	756661229	QGMRSQSRROQTLO-BQBZGAKWSA-N	258.268	1.585	10	20	CDCD	
CCN(C(=O)Cc1ccc(N)cc1)C1CCNCC1	1343641147	NDCITKLSRKSMEK-UHFFFAOYSA-N	261.369	1.412	10	20	CDCD	
COC1CCN(c2ccc(CN3CC[C@@H]3CO)cc2)CC1	934019931	TUWFJQUJEXGYBJ-MRXNPFEDSA-N	290.407	1.868	10	20	CDCD	
CC[C@@](C)(O)C(=O)NCc1cccc(OC)c1O	934939662	BLMZZUHOVYPJGP-CYBMUJFWSA-N	253.298	1.178	10	20	CDCD	
COc1cccc(O)c1CN1CCC(CO)CC1	768240701	CXEZCXCHDKRHAN-UHFFFAOYSA-N	251.326	1.605	10	20	CDCD	
NC(=O)[C@@H](NC(=O)c1cc(O)cs1)c1ccc(F)cc1	768732469	LTWMHRZZMXTQEA-NSHDSACASA-N	294.307	1.549	10	20	CDCD	
Cn1cc(NCc2ccc(N3CCC(O)CC3)cc2)cn1	877006852	TUKNOOKGZVZDPE-UHFFFAOYSA-N	286.379	1.993	10	20	CDCD	
CCN[C@@H](C)C(=O)NCCCSc1nccs1	876662686	QIFIJHXICVMDHL-VIFPVBQESA-N	273.427	1.740	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCC(Cn2cncn2)CC1	779457924	LGMTXIYFRHUOBS-UHFFFAOYSA-N	292.364	1.598	10	20	CDCD	
COC(=O)[C@H]1CN(Cc2c(C)cccc2O)CCO1	876688721	MLPICLNBXALTBU-CYBMUJFWSA-N	265.309	1.074	10	20	CDCD	
CC(C)N(CC(N)=O)Cc1ccc(N2CCCC2)cc1	1116438180	GDTQNDCIXOVZIA-UHFFFAOYSA-N	275.396	1.983	10	20	CDCD	
COc1cccc(CN2Cc3cnn(C)c3C2)c1O	877632956	SWTANCOODOUICS-UHFFFAOYSA-N	259.309	1.650	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNC[C@@]2(C)CCOC2)c1O	775016856	ZPDHHSVOCVVKBI-CQSZACIVSA-N	296.323	1.825	10	20	CDCD	
C[C@@H](NC(=O)[C@]1(O)CCSC1)c1ccc(N(C)C)cc1	775412013	UEUAQQCUAULQET-ABAIWWIYSA-N	294.420	1.798	10	20	CDCD	
Oc1c(F)cc(Cl)cc1CNCCN1CCC1	776253031	KSWRJTQUPCQCLQ-UHFFFAOYSA-N	258.724	1.980	10	20	CDCD	
CCOC(=O)[C@](C)(O)CN[C@@H](C)c1cc(OC)ccc1O	771765630	CMKLXXSKKLWXIT-ZUZCIYMTSA-N	297.351	1.366	10	20	CDCD	
C[C@H]1CCC(=O)CN1C(=O)/C=C/c1ccc(O)c(O)c1	885084815	QGQAXXQKYQDLIW-QBBOHKLWSA-N	275.304	1.691	10	20	CDCD	
C[C@H](NC[C@@H](O)c1cnn(C)c1)c1c(O)cccc1F	886532230	GGTFUUROTHCGNJ-TVQRCGJNSA-N	279.315	1.649	10	20	CDCD	
CCOCCN(C)Cc1ccc(OC)c(OC)c1O	893428597	WEVBTFVBOJUNAP-UHFFFAOYSA-N	269.341	1.878	10	20	CDCD	
COc1ccc(CNCC(F)(F)CO)c(O)c1OC	893643659	UNCDIISGQCRXHX-UHFFFAOYSA-N	277.267	1.127	10	20	CDCD	
CN(C)CC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	891251581	HBIJZVYLHXMCAL-OAHLLOKOSA-N	292.427	1.033	10	20	CDCD	
C[C@@H]1CN(Cc2ccc(N(C)C)c(F)c2)C[C@@H]1O	897684232	LKFJZRRRAGGMSV-YGRLFVJLSA-N	252.333	1.704	10	20	CDCD	
O=C(CCn1ccccc1=O)NCc1ccccc1O	701137233	YFDGDIDFJZIWMY-UHFFFAOYSA-N	272.304	1.260	10	20	CDCD	
COc1ccc(CN(CCCO)C2CC2)c(O)c1OC	892035247	CAPDWZWVNHCKDV-UHFFFAOYSA-N	281.352	1.756	10	20	CDCD	
CC(C)OC[C@@H](CO)N(C)Cc1cc(F)cc(F)c1O	894782608	MOHJSAJESHINJB-GFCCVEGCSA-N	289.322	1.888	10	20	CDCD	
COc1ccc(O)c(CNC(C)(C)C(=O)N2CCCC2)c1	793395385	ODORDLAYCPFPOB-UHFFFAOYSA-N	292.379	1.891	10	20	CDCD	
COc1ccc(O)c(CN[C@@H](C)C2(CO)CC2)c1	710200023	LDUKFYPHBBFFOA-JTQLQIEISA-N	251.326	1.651	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CCCc2n[nH]cc21	790072045	HNOMBEQIBBONMX-GQCTYLIASA-N	285.303	1.814	10	20	CDCD	
C[C@@]1(CO)CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1	1319922413	QKJFOPFHGQWZJK-MQDFFIGUSA-N	291.347	1.732	10	20	CDCD	
COc1ccc(CN[C@H](C(=O)O)C2CCOCC2)cc1C	1332424172	VEXOHYCNEMJNHU-HNNXBMFYSA-N	293.363	1.973	10	20	CDCD	
Cc1cnc(CCNC(=O)NCc2ccc(N)cc2)cn1	1353413541	KLJKGPXRZGDDDA-UHFFFAOYSA-N	285.351	1.409	10	20	CDCD	
Cc1sc(=O)n(CC(=O)NCc2ccc(N)cc2)c1C	1524018173	JQUFFBSMMCABBL-UHFFFAOYSA-N	291.376	1.425	10	20	CDCD	
C[C@@H]1CC[C@H](C(=O)O)N1C(=O)c1cccc(O)c1O	1605008066	PFRHUGBEEOZDJA-VXNVDRBHSA-N	265.265	1.176	10	20	CDCD	
C[C@H](N[C@H]1C[C@H](CO)C1)c1cc(C(=O)O)ccc1O	1604363586	JVTMNFZEJOKLAW-QXEWZRGKSA-N	265.309	1.512	10	20	CDCD	
CCOc1ccc(O)c(CN2C[C@@H](C(=O)O)C[C@@H](O)C2)c1	1610043606	WWJPVFKGCOQQEN-NWDGAFQWSA-N	295.335	1.058	10	20	CDCD	
COc1ccc(N(C)C[C@H]2CCNC2)c(OC)c1	258785279	BOVWVZYRPBLPON-NSHDSACASA-N	250.342	1.750	10	20	CDCD	
CN(C)c1ccc(CN(C(=O)COCCN)C2CC2)cc1	1578425827	PALGVNWQFSLREC-UHFFFAOYSA-N	291.395	1.219	10	20	CDCD	
CC[C@](C)(NC(=O)c1ccc(C)c(O)c1O)C(=O)O	1594847015	ZJDAWCJMYKPTIR-ZDUSSCGKSA-N	267.281	1.389	10	20	CDCD	
C[C@H](SCC(=O)NCc1ccc(N(C)C)cc1)C(=O)O	1593658566	JTQZMGWLZFJFNE-JTQLQIEISA-N	296.392	1.575	10	20	CDCD	
CCN1CCc2cc(CN[C@@H](CSC)C(=O)O)ccc21	1776877017	FLQWHQYSCIQSSI-ZDUSSCGKSA-N	294.420	1.975	10	20	CDCD	
CCN1CCN(Cc2cc(OC)c(OC)cc2O)CC1	159457795	PYUZDFFUPOVUGF-UHFFFAOYSA-N	280.368	1.547	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NCCN(C)OC)c1	850479228	NXOJIVAXXNTMRM-SNVBAGLBSA-N	254.330	1.545	10	20	CDCD	
C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1ccccc1O	867834387	NNFMQPOMSZLTEP-SECBINFHSA-N	281.337	1.165	10	20	CDCD	
COc1ccc(O)c([C@H](C)NCCn2ccnc2)c1	41119082	QMFDOKJFJHEEDJ-NSHDSACASA-N	261.325	1.948	10	20	CDCD	
CCN1C[C@@H](NCc2cc(F)cc(F)c2O)CC1=O	708536112	WSTMSVDEEFDHMU-JTQLQIEISA-N	270.279	1.381	10	20	CDCD	
O=C(CNCc1cc(F)cc(F)c1O)NCC(F)F	708517477	QFZVWMMETIYNPS-UHFFFAOYSA-N	280.221	1.141	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)NC2CC2)c1	103503256	KFEXAORCOUFFFE-QMMMGPOBSA-N	250.298	1.923	10	20	CDCD	
COc1ccc(O)c(CNC(=O)Nc2nnc(C)s2)c1	172019436	RHGJOMUXKAYTJI-UHFFFAOYSA-N	294.336	1.882	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@H]2CCCO2)cc1F	69913596	YOVSTZINAMQGIJ-ZDUSSCGKSA-N	266.316	1.687	10	20	CDCD	
COC(=O)[C@@H]1C[C@@H](O)CN1Cc1cccc(Cl)c1O	187567755	UREQYHPJCYFKLL-KOLCDFICSA-N	285.727	1.154	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)Cc1ccn[nH]1	120742971	PGFIXJFLYXHOAK-UHFFFAOYSA-N	272.352	1.677	10	20	CDCD	
CCOCC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	70272335	IPHDKWSCZAQVLK-UHFFFAOYSA-N	292.379	1.518	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CC[C@@](C)(CN)C2)c1O	312687368	PZYJXJOMJLLUQX-HNNXBMFYSA-N	280.343	1.905	10	20	CDCD	
C[C@@H](NC[C@H]1COC2(CCOCC2)O1)c1ccccc1O	183671774	UWGWSHWAWWLUFN-OLZOCXBDSA-N	293.363	1.965	10	20	CDCD	
O=C(CNC(=O)c1ccccc1)NCc1ccccc1O	133770684	WYGCSKHEJPVVIS-UHFFFAOYSA-N	284.315	1.438	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)c1ccn(C)c(=O)c1	53915957	FQPCVUXULIMMFY-UHFFFAOYSA-N	272.304	1.363	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H](O)C1CC1	611651507	UGVJBYDAZBAUCI-CQSZACIVSA-N	276.336	1.249	10	20	CDCD	
COC[C@H]1CCN(C(=O)c2ccc(C)c(O)c2O)C1	272546869	AFNQIEOQQNYSIH-JTQLQIEISA-N	265.309	1.515	10	20	CDCD	
COC(=O)[C@]1(F)CCN(Cc2cc(F)ccc2O)C1	272378059	HIZUSIGOSAFKFW-ZDUSSCGKSA-N	271.263	1.618	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)[C@@H]1CCCN1C1CC1	279659048	CDXBWWPEDUFJRL-LBPRGKRZSA-N	276.336	1.341	10	20	CDCD	
Cc1cc(CN(CCO)CCCO)ccc1N(C)C	293080821	MLXHFPWLHHZGJL-UHFFFAOYSA-N	266.385	1.238	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H]1CCNC(=O)C1	808094431	OICXNCRDCWJUBE-SNVBAGLBSA-N	297.351	1.020	10	20	CDCD	
COc1ccc(O)c(CN(C)CCN(C)C2CC2)c1	290290485	AGTIDINKKBOHFC-UHFFFAOYSA-N	264.369	1.927	10	20	CDCD	
OC[C@@H]1CC[C@H](CNCc2c(O)cccc2Cl)O1	292638299	KADXVPWSBLADTD-ZJUUUORDSA-N	271.744	1.675	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCOC[C@@H](C2CCC2)C1	293968391	UMVFXSOBWGFAOT-LBPRGKRZSA-N	291.347	1.987	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)NC[C@@H](C)CN)c1	817961847	DOSBEZKGQHUCGR-UWVGGRQHSA-N	266.341	1.424	10	20	CDCD	
COCCc1nc(COC(=O)c2cccc(O)c2O)no1	811189445	WUJPGVCULMPVAX-UHFFFAOYSA-N	294.263	1.027	10	20	CDCD	
Cc1ccc(C(=O)N(C)C[C@@H]2CCCN2C)c(O)c1O	817679121	RCSFOWIEVXEBDL-NSHDSACASA-N	278.352	1.572	10	20	CDCD	
CN1CC[C@H](C(=O)NCc2ccc(N(C)C)cc2)C1	729282134	KXYSDTSKIGGGLU-ZDUSSCGKSA-N	261.369	1.321	10	20	CDCD	
CCOc1cccc(CN2CC(C)(C(=O)OC)C2)c1O	822534427	GGQLDJHXCXQLEI-UHFFFAOYSA-N	279.336	1.786	10	20	CDCD	
O=C(O)[C@@H](C(=O)NCc1c(O)cccc1F)C1CC1	902853500	ONVJOMNSRDSXHT-LLVKDONJSA-N	267.256	1.258	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CN2CC[C@H](F)C2)cc1	830473376	FJWFQQVUYBQTBS-ZDUSSCGKSA-N	279.359	1.413	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2ncccn2)cc1F	735855688	MYDXKIZHBVWDDD-UHFFFAOYSA-N	274.299	1.612	10	20	CDCD	
Cc1ncc2c(n1)CC[C@H](NC(=O)c1cc(O)cs1)C2	732266982	SIKLXJHSGMPNLG-JTQLQIEISA-N	289.360	1.839	10	20	CDCD	
Oc1cc2c(cc1CNC[C@H]1CCCCN1)OCO2	841032604	HNNCPPVIYIBPOF-LLVKDONJSA-N	264.325	1.353	10	20	CDCD	
CC[C@@H](CO)N(C)C(=O)NCCc1ccc(N)cc1	841955757	METSBAUXKDQTBE-ZDUSSCGKSA-N	265.357	1.224	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC[C@@H]1COCCO1	840929155	HWIBKFFIZZNTFQ-OAHLLOKOSA-N	264.369	1.566	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN[C@H](C)C(=O)NCCF	840943038	PWSBSBPHTGWQKK-GFCCVEGCSA-N	281.375	1.625	10	20	CDCD	
O=C(NCc1ccc(N2CCCC2)cc1)[C@@]1(O)CCOC1	840270058	QZZGNSQTDAXVRM-MRXNPFEDSA-N	290.363	1.054	10	20	CDCD	
CNCCNC(=O)NCc1ccc(N2CC=CC2)cc1	841832703	RBXVQCQFIMCPCZ-UHFFFAOYSA-N	274.368	1.081	10	20	CDCD	
CCN(CC)c1ccc(CN(C)CCOCCN)cc1	844220647	IMXJXKMPLFNRPD-UHFFFAOYSA-N	279.428	1.940	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](C)CN	841982784	POEGFVRGMPIPBC-LBPRGKRZSA-N	278.400	1.631	10	20	CDCD	
COc1ccc(O)c([C@@H]2NC3(CCCC3)C(=O)N2C)c1	742442347	GMNRCQAHIWJMNR-CYBMUJFWSA-N	276.336	1.774	10	20	CDCD	
COCCN(Cc1ccccc1O)C[C@@H](O)C(F)(F)F	848921842	HZSBYXFWVIGPTD-GFCCVEGCSA-N	293.285	1.764	10	20	CDCD	
CN1CC[C@@H]1CNCc1ccc(N2CCOCC2)c(F)c1	922576128	UNRIBKRVKMABEN-CQSZACIVSA-N	293.386	1.456	10	20	CDCD	
CCNC(=S)N1CCN(c2ccc(OC)c(F)c2)CC1	753962802	PMYHDLWZVYXVDF-UHFFFAOYSA-N	297.399	1.851	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)N[C@@H]2CCCCNC2=O)c1	858163192	AXKOQDZYGMVNJC-GFCCVEGCSA-N	291.351	1.169	10	20	CDCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N[C@H]1C[C@H](O)C1	853776267	OGDMLUISNVXXLW-CTYIDZIISA-N	287.363	1.385	10	20	CDCD	
CN(C(=O)c1cccc(O)c1O)[C@H]1C[C@@H](C(=O)O)C1	692993916	PQQKYEIHJKDHHH-OCAPTIKFSA-N	265.265	1.033	10	20	CDCD	
COc1cccc(O)c1CN1CCC2(CC1)COC(=O)N2	753586848	KOJBLQHVBWRJCS-UHFFFAOYSA-N	292.335	1.475	10	20	CDCD	
CCOC(=O)CN(C)Cc1ccc(OCC)cc1O	768247524	VVYOHXXCEYIGPE-UHFFFAOYSA-N	267.325	1.786	10	20	CDCD	
CNC(=O)[C@H]1CCC[C@@H]1NCc1ccc(C)cc1O	877120741	UPTYAZKEIBYAMV-STQMWFEESA-N	262.353	1.705	10	20	CDCD	
COc1cccc(O)c1CN1CCn2ncnc2C1	770664455	OPRKPBLYROCLGJ-UHFFFAOYSA-N	260.297	1.008	10	20	CDCD	
Cc1nc(Cn2cc(COc3ccc(N)cc3)nn2)[nH]c1C	881364975	LLZRRZWDGUCDDB-UHFFFAOYSA-N	298.350	1.828	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](C)CN	54341029	NYMDBURINMFVDR-GFCCVEGCSA-N	263.385	1.696	10	20	CDCD	
CCOC(=O)/C(=C\c1cn(CC)nn1)c1nccn1C	899349451	CRQAGFLOQFCRSZ-FLIBITNWSA-N	275.312	1.135	10	20	CDCD	
COc1ccc(CN[C@H](C)CCO)c(O)c1OC	893004849	MZNQNGFARINRIM-SECBINFHSA-N	255.314	1.270	10	20	CDCD	
Cc1ccc(C(=O)NCC(=O)OC(C)C)c(O)c1O	780930263	LXAMCLMSAWJSHJ-UHFFFAOYSA-N	267.281	1.088	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N(CC(=O)O)C2CC2)cc1	780350009	LVTYJEQBXYKCQS-UHFFFAOYSA-N	291.351	1.511	10	20	CDCD	
CC[C@@H]1C(=O)NCCCN1Cc1cc2c(cc1O)OCO2	898541448	KUYZXLHJLFFRIG-LLVKDONJSA-N	292.335	1.221	10	20	CDCD	
COc1ccc(O)c(CN2C[C@@H](CN)C[C@H]2C)c1	215995074	YYZWETPHPQILNP-GHMZBOCLSA-N	250.342	1.570	10	20	CDCD	
CCc1ncncc1C(=O)NCc1ccccc1O	743327358	LQCKDXAGKSLWLK-UHFFFAOYSA-N	257.293	1.675	10	20	CDCD	
COc1ccncc1CNC(=O)c1cccc(O)c1O	688949853	KMAPJTXYJWKJIU-UHFFFAOYSA-N	274.276	1.431	10	20	CDCD	
C[C@@H](CNC(=O)c1cccc(O)c1O)CC1(C)OCCO1	715926671	KTJWKGJUVLCGNN-SNVBAGLBSA-N	295.335	1.617	10	20	CDCD	
COc1ccc(CNC(=O)[C@@H]2CCCN2C)c(O)c1	794378203	DMXGEUNMILBHQD-LBPRGKRZSA-N	264.325	1.111	10	20	CDCD	
CCO[C@@H]1COCC[C@H]1NCc1cccc(C)c1O	761222495	JMTCSJRTPRTJQD-ZIAGYGMSSA-N	265.353	1.984	10	20	CDCD	
OC[C@@H]1C[C@H](O)CN1Cc1ccc(N2CCCC2)cc1	1321407761	CORHGSATODTBLT-HOTGVXAUSA-N	276.380	1.214	10	20	CDCD	
CN(Cc1ccccc1O)c1nnc(CC(C)(C)O)n1C	1262919519	KRHDUCZXPHKHFQ-UHFFFAOYSA-N	290.367	1.471	10	20	CDCD	
COc1ccc(CNCCCn2ccnc2)c(O)c1OC	1355237543	HZJJFPHWAFLNRK-UHFFFAOYSA-N	291.351	1.786	10	20	CDCD	
Nc1ccc(NC(=O)NCCOCC(F)(F)F)cc1	111642627	IOONCDUYOOUUHM-UHFFFAOYSA-N	277.246	1.969	10	20	CDCD	
C[C@H](N[C@H](C)C[S@@](C)=O)c1cc(C(=O)O)ccc1O	1604213192	DSXHXYJCNJZVPV-BLBZPCKPSA-N	285.365	1.508	10	20	CDCD	
NC(=O)N=Nc1ccc(C(=O)N2CC[C@H]2C(=O)O)cc1	1601154994	GUNPOWBTJCHCJQ-VIFPVBQESA-N	276.252	1.148	10	20	CDCD	
C[C@@H](CNCc1ccc(N2CCOCC2)cc1)CC(=O)O	1776425452	WAMNVGZSZBLYMP-CYBMUJFWSA-N	292.379	1.724	10	20	CDCD	
Cc1ccc(O)c(CN(C)[C@H](C)C[S@](C)=O)c1	130870195	ITYJSZBQVGCJNQ-PIGZYNQJSA-N	255.383	1.899	10	20	CDCD	
COc1ccc(N2CCN(C(=O)[C@H]3CCCN3)CC2)cc1	19408615	RYJQTEVWVCXPKG-OAHLLOKOSA-N	289.379	1.096	10	20	CDCD	
CCN(CC)[C@@H]1CCN(C(=O)c2cccc(O)c2O)C1	126402920	FWXKZWZZCDMCJP-LLVKDONJSA-N	278.352	1.654	10	20	CDCD	
COc1cccc(O)c1CN1CC[C@H]2NCC[C@H]2C1	843127746	SXXMIESPAOAYDT-WCQYABFASA-N	262.353	1.585	10	20	CDCD	
CCN(CCS(C)(=O)=O)Cc1ccc(C)cc1O	876783443	CCOKQTBBIKYWCA-UHFFFAOYSA-N	271.382	1.567	10	20	CDCD	
O=C1NCCC[C@@H]1CNCc1cc(F)cc(F)c1O	883144824	BWFIYDGQILEWNG-MRVPVSSYSA-N	270.279	1.286	10	20	CDCD	
CC(C)N1CCN(C(=O)Nc2ccc(N)cc2)CC1	36190676	AHVVFMJLFDIUFQ-UHFFFAOYSA-N	262.357	1.827	10	20	CDCD	
Cc1cccc(CNC[C@@]2(O)CCSC2)c1O	271794150	HNWOEOVGBLROMY-ZDUSSCGKSA-N	253.367	1.658	10	20	CDCD	
C[C@@H](NCCn1cncn1)c1ccc(N(C)C)cc1	268867171	WUTMKMOTWRRFFX-GFCCVEGCSA-N	259.357	1.695	10	20	CDCD	
COc1cccc(CN2CC[C@@H](C(=O)O)[C@H](C)C2)c1O	312898639	RXMHFGVRAAXQCG-ZYHUDNBSSA-N	279.336	1.943	10	20	CDCD	
CN(C)CCSCC(=O)NCc1ccc(N(C)C)cc1	171662992	MHUNELMWCCOCIY-UHFFFAOYSA-N	295.452	1.664	10	20	CDCD	
COc1ccc(O)c(CNCC(C)(C)N2CCOCC2)c1	20120768	PSXHYGMNXVDIGR-UHFFFAOYSA-N	294.395	1.601	10	20	CDCD	
COc1ccc(O)c(CNC(=O)Nc2ccn(C)n2)c1	114575871	CBYDNXDVSKJFKO-UHFFFAOYSA-N	276.296	1.456	10	20	CDCD	
CC[C@@H](C)NC(=O)CCNC(=O)c1ccc(C)c(O)c1O	177675168	AWVDFMOLDKNDJV-SNVBAGLBSA-N	294.351	1.441	10	20	CDCD	
Cc1nsc(N2CCN(Cc3ccccc3O)CC2)n1	179580022	PUVVWTIQOJTDRY-UHFFFAOYSA-N	290.392	1.874	10	20	CDCD	
CCOCCN(C)C(=O)/C=C/c1ccc(O)c(O)c1	181309235	XPFNCMBUPRJCPB-FNORWQNLSA-N	265.309	1.606	10	20	CDCD	
COc1cc(O)c(CN[C@H]2C[C@H](O)C2(C)C)cc1OC	189965058	GOGZXZJZMHLZBR-KBPBESRZSA-N	281.352	1.658	10	20	CDCD	
CN(C)c1ccc(CN[C@@H](C(N)=O)C(C)(C)C)cc1	188521626	KCXKRXAUQCQBSA-ZDUSSCGKSA-N	263.385	1.742	10	20	CDCD	
C[C@@H](NC(=O)C(C)(C)C)C(=O)Nc1ccc(N)cc1	237477095	ZXUMJOHJQREGGX-SECBINFHSA-N	263.341	1.758	10	20	CDCD	
C[C@H](O)CNC(=O)NCc1ccc(N2CC=CC2)cc1	192500459	PKXJMQXOUVIJFS-LBPRGKRZSA-N	275.352	1.243	10	20	CDCD	
C[C@H](CCS(C)(=O)=O)N[C@H](C)c1ccccc1O	183565694	ISSFAFQMLVUMDI-GHMZBOCLSA-N	271.382	1.866	10	20	CDCD	
C[C@H]1[C@@H](C)N(Cc2cc3c(cc2O)OCO3)CC[S@@]1=O	265625633	OHNCEXLXYUDQNC-ARNPGYACSA-N	297.376	1.462	10	20	CDCD	
CC[C@H](NC[C@H](O)c1cnn(C)c1)c1ccccc1O	274878211	HANRRHPEPQRAKC-ZFWWWQNUSA-N	275.352	1.900	10	20	CDCD	
CC(C)[C@@H](O)C1(CNC(=O)c2cccc(O)c2O)CC1	279845385	OKWSXMKNQLCJPG-CYBMUJFWSA-N	279.336	1.625	10	20	CDCD	
CCN(CCOC)C(=O)c1ccc(C)c(O)c1O	272894855	ZTGPUBWOOPLSNB-UHFFFAOYSA-N	253.298	1.515	10	20	CDCD	
CNC(=O)[C@]1(C)CCN(C(=O)c2ccc(C)c(O)c2O)C1	281854004	QHPVEAKBFCAIPA-OAHLLOKOSA-N	292.335	1.004	10	20	CDCD	
Cc1cc(CN(C)CC(C)(CO)CO)ccc1N(C)C	292731099	GOKGIFVNTVQKGA-UHFFFAOYSA-N	280.412	1.484	10	20	CDCD	
COC[C@@H](C)CS(=O)(=O)NCc1ccccc1O	809818577	LVVBMCOJYRXSIX-SNVBAGLBSA-N	273.354	1.094	10	20	CDCD	
C[C@@H]1C[C@H](NCc2cnnn2C)c2c(O)ccc(F)c21	806659927	KCWYHNSPJGKTOE-KCJUWKMLSA-N	276.315	1.998	10	20	CDCD	
CCN1CCC(NC(=O)c2c(F)ccc(O)c2O)CC1	295357199	IVJIYQMWQLZPQI-UHFFFAOYSA-N	282.315	1.451	10	20	CDCD	
O=C(NCc1ccccc1O)NC[C@H]1CCCO1	298394723	JOUPFWMDVOYLNR-LLVKDONJSA-N	250.298	1.370	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCC2(CCO2)CC1	800704111	SXUXCXROLOEABM-UHFFFAOYSA-N	253.323	1.849	10	20	CDCD	
CC(=O)C(=O)CSc1n[nH]c(-c2ccccn2)n1	808021953	DTHPHSQRYPTBQY-UHFFFAOYSA-N	262.294	1.117	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)NC2CCNCC2)c1	817935102	GNCYGQMPGRNBET-SNVBAGLBSA-N	278.352	1.581	10	20	CDCD	
COC[C@H](C)NC(=S)N[C@H](C)c1cc(OC)ccc1O	728793494	TWETZEYFXGJUSA-VHSXEESVSA-N	298.408	1.961	10	20	CDCD	
CCn1cc(C(=O)NCc2cc(Cl)ccc2O)nn1	823986575	MJSOXBCJDXBLOE-UHFFFAOYSA-N	280.715	1.587	10	20	CDCD	
NC(=O)NC[C@@H]1CCCCN1C(=O)c1cc(O)cs1	825331430	NZXFRRZLBHMZJH-QMMMGPOBSA-N	283.353	1.117	10	20	CDCD	
Cc1cc(O)c(CN[C@@H]2C(=O)NCC[C@@H]2C)cc1Cl	825773621	LVHHEEDIWIBTBA-SDBXPKJASA-N	282.771	1.968	10	20	CDCD	
Cc1cc(C(=O)NC[C@H](N)c2ccc(N(C)C)cc2)no1	832286174	WTSSJFVLNRNIIJ-ZDUSSCGKSA-N	288.351	1.479	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)CCO)cc1	902810345	PQXHHYFHSJODSE-UHFFFAOYSA-N	250.342	1.531	10	20	CDCD	
O=C(O)C(F)(F)CNCc1c(O)ccc(Cl)c1F	904032635	UWLORJSXGKTODP-UHFFFAOYSA-N	283.633	1.994	10	20	CDCD	
CNC(=S)NCc1ccc(N2CCN(C)CC2)cc1	905529699	MCRBKMNGRUFQQS-UHFFFAOYSA-N	278.425	1.032	10	20	CDCD	
COc1ccc(CNC(=O)C[C@H]2CSCCN2)c(O)c1	832178066	MLBWZSBWWDJEID-NSHDSACASA-N	296.392	1.112	10	20	CDCD	
O=C(NCc1ccccc1O)c1ccnc(-n2cncn2)c1	748345976	IETATLZCOTZXKD-UHFFFAOYSA-N	295.302	1.298	10	20	CDCD	
CCc1cccc(CNCCn2cc([N+](=O)[O-])cn2)c1O	848898438	CKEZHJXVXXYTPF-UHFFFAOYSA-N	290.323	1.849	10	20	CDCD	
COc1cccc([C@@H](C)Nc2cnn(CCO)c2)c1O	846161432	YWWQGHLFXPFOPR-SNVBAGLBSA-N	277.324	1.763	10	20	CDCD	
CC[C@H](SC)C(=O)NCc1ccc(O)cc1O	910948796	AKZQETDLBNTWGQ-NSHDSACASA-N	255.339	1.856	10	20	CDCD	
CCOc1ccc(CN2CCO[C@@H](CF)C2)c(O)c1	840954470	KBDZWSJTIWNKLM-ZDUSSCGKSA-N	269.316	1.961	10	20	CDCD	
COc1cc(O)c(CN2CC[C@H](N)[C@H](C)C2)cc1OC	843050994	CXMNJHCDDMFUPZ-PWSUYJOCSA-N	280.368	1.579	10	20	CDCD	
COc1cccc(CNC(=O)NCc2ccon2)c1O	747597184	UZYZVSMQVHNJIX-UHFFFAOYSA-N	277.280	1.388	10	20	CDCD	
CN1CCCC[C@@H](CNCc2cc3c(cc2O)OCO3)C1	858245311	PUFMWUYUMMMFAG-LBPRGKRZSA-N	292.379	1.942	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N(C)CC(C)(C)N	851656006	BJHCAPFTHKNIAG-UHFFFAOYSA-N	292.427	1.940	10	20	CDCD	
O=C(N[C@@H](CCO)C(F)(F)F)c1cc(O)cs1	854616813	VJXOFIONCNCJJO-ZETCQYMHSA-N	269.244	1.497	10	20	CDCD	
CCn1nccc1/C=C1\C(=O)NN(c2ccccc2)C1=O	753716264	COHSDCWUWMPICU-JLHYYAGUSA-N	282.303	1.364	10	20	CDCD	
CN(C)c1ccc(CN(Cc2nnnn2C)C2CC2)cc1	750283501	DPBPWKNWMBZJNP-UHFFFAOYSA-N	286.383	1.441	10	20	CDCD	
Cc1noc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)n1	865978560	YVMHIXYRGHAYLU-VIFPVBQESA-N	274.324	1.935	10	20	CDCD	
Cc1ccc(O)c([C@@H](C)NCc2nnnn2CC2CC2)c1	769991663	ZNFCNNOTXZQSQA-LLVKDONJSA-N	287.367	1.948	10	20	CDCD	
CON(C)C(=O)[C@H](C)NCc1cc(Cl)cc(F)c1O	862539817	WBQZKCTWIDBENB-ZETCQYMHSA-N	290.722	1.683	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)CCc2ccn(C)n2)c1	862755435	GYVBPIAMTCIUOX-UHFFFAOYSA-N	273.336	1.683	10	20	CDCD	
CN(C)C(=O)N1CCN(Cc2ccccc2O)C(C)(C)C1	761225352	FGASQSVLCCXZRL-UHFFFAOYSA-N	291.395	1.970	10	20	CDCD	
COCCN(C)C(=N)NCc1cc(OC)ccc1O	871605314	NANYAKSDZMBTSI-UHFFFAOYSA-N	267.329	1.003	10	20	CDCD	
CC[C@@H](O)CCCNCc1ccc([N+](=O)[O-])c(OC)c1O	775021985	BQRKALYRPFKFSA-LLVKDONJSA-N	298.339	1.950	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)N[C@]2(C)CCOC2=O)c1	1123765618	IQKKNCAFZRECBJ-CQSZACIVSA-N	278.308	1.205	10	20	CDCD	
COC[C@H](O)CCN[C@@H](C)c1c(O)cccc1F	886558822	STYODXOFNABPRB-VHSXEESVSA-N	257.305	1.579	10	20	CDCD	
O=C(c1c(F)ccc(O)c1O)N1CC[C@@]2(CCOC2)C1	789990482	QCPXKCSSTHCFHZ-CQSZACIVSA-N	281.283	1.490	10	20	CDCD	
CC[C@H]1CN(Cc2ccc(OC)c(OC)c2O)C[C@H]1O	892242294	PPCKTEROVREHOT-CMPLNLGQSA-N	281.352	1.612	10	20	CDCD	
COCC[C@@H](C)OC(=O)c1ccc(C)c(O)c1O	783345561	UTEFINDEQRLPGV-SECBINFHSA-N	254.282	1.988	10	20	CDCD	
CC1(C)CNC(=O)[C@H]1NCc1c(O)ccc(Cl)c1F	895324628	QWFQEZZIPOVWSJ-LLVKDONJSA-N	286.734	1.799	10	20	CDCD	
COc1ccc(CN2CC[C@H](C)[C@@H]2CO)c(O)c1OC	893908232	UKENHUCVLVAFSV-JQWIXIFHSA-N	281.352	1.612	10	20	CDCD	
COc1ccc(CNC(=O)COCC(F)(F)F)c(O)c1	794379239	JWKSWESXTNISKV-UHFFFAOYSA-N	293.241	1.596	10	20	CDCD	
Cc1cnn(C)c1/C=C1/SC(=S)N(CC(=O)O)C1=O	794685537	IBKXUGNLWGDCLQ-FPYGCLRLSA-N	297.361	1.014	10	20	CDCD	
Nc1ccc(CC(=O)NC[C@@H]2CCCC[C@@H]2O)cc1	85961780	HPZPMVRPCVVVDQ-JSGCOSHPSA-N	262.353	1.479	10	20	CDCD	
COc1cccc(CN[C@H]2CCN(C)[C@@H](C)C2)c1O	90721540	JLYQHVNTVKHADE-AAEUAGOBSA-N	264.369	1.973	10	20	CDCD	
Cc1ccc(C(=O)NC[C@H]2CCOC2)c(O)c1O	1323345392	DSHHZUBULTVJMD-SECBINFHSA-N	251.282	1.173	10	20	CDCD	
CN(CC1=CCCOC1)C(=O)NCc1ccc(N)cc1	1337019263	QNLWRZKBOKCSCO-UHFFFAOYSA-N	275.352	1.757	10	20	CDCD	
CCn1cnc2c1CCN(C(=O)NCc1ccc(N)cc1)C2	1262603580	NKYMZEDSMYVKIP-UHFFFAOYSA-N	299.378	1.753	10	20	CDCD	
CN(C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2Cc1ccc(N)cc1	1345159336	GLVHDQFPPRSGFF-BRWVUGGUSA-N	289.423	1.952	10	20	CDCD	
CCC(=O)N1CCC[C@@H](C(=O)NCc2ccc(N)cc2)C1	1515333758	VJFJJUDPCVSCOS-CYBMUJFWSA-N	289.379	1.534	10	20	CDCD	
Nc1ccc(CC(=O)N2[C@H]3CC[C@H]2CC(O)C3)cc1	111382646	WHUILYGPXDDLEF-STQMWFEESA-N	260.337	1.326	10	20	CDCD	
O=C(NCc1ccccc1O)[C@H]1CCCC[C@H]1C(=O)O	228402333	DZYLTELAAJHKGZ-NWDGAFQWSA-N	277.320	1.899	10	20	CDCD	
Nc1ccc(OC(=O)Cn2nnnc2-c2ccccc2)cc1	1580449648	QWSODARMCTXWOT-UHFFFAOYSA-N	295.302	1.528	10	20	CDCD	
CO[C@H]1C[C@H](N[C@H](C)c2cc(C(=O)O)ccc2O)C1	1599326706	WSPKFHRYPFAIJL-FBIMIBRVSA-N	265.309	1.918	10	20	CDCD	
COC[C@@](C)(CC(=O)O)NCc1cccc(C)c1O	1599149352	GBRJYTAJTWCFNQ-CQSZACIVSA-N	267.325	1.670	10	20	CDCD	
Nc1ccc(CC(=O)N2CCC[C@H](n3cncn3)C2)cc1	156380891	FBRJAFIOKHFPEV-AWEZNQCLSA-N	285.351	1.267	10	20	CDCD	
CC(C)[C@](C)(O)CNC(=O)Nc1ccc(N)cc1	841299702	IKPDPSHZBYYXCD-CYBMUJFWSA-N	251.330	1.797	10	20	CDCD	
CCNC(=O)[C@@H](C)N[C@@H](CC)c1ccccc1O	36794787	SYKQWUHCGZPJKY-PWSUYJOCSA-N	250.342	1.958	10	20	CDCD	
COc1ccc(O)c([C@@H](C)N[C@@H]2CC(=O)N(C)C2)c1	273579554	MIIBRMUUGMCVBX-NXEZZACHSA-N	264.325	1.282	10	20	CDCD	
Nc1ccc(CC(=O)N[C@@H]2[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)cc1	300407492	NCVYSUUNGNOAKZ-URLAMEQQSA-N	256.349	1.972	10	20	CDCD	
CN(C)C(=O)N1CCN(Cc2cc(F)ccc2O)CC1	401638994	FYMWKQIDWGMLAQ-UHFFFAOYSA-N	281.331	1.331	10	20	CDCD	
CN(CC(=O)N1CCCC1)Cc1cc(F)cc(F)c1O	708433159	IDUIGTLMPHPLRN-UHFFFAOYSA-N	284.306	1.725	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC[C@@H]2CNC(=O)C2)c1	398335615	KITJNPDOUJVTHR-VHSXEESVSA-N	264.325	1.188	10	20	CDCD	
COc1cccc(CNC(=O)c2cc(C)n[nH]2)c1O	105650339	GZPVMBOGRFDHDL-UHFFFAOYSA-N	261.281	1.362	10	20	CDCD	
CCN(CC)CCNC(=O)NCc1cc(OC)ccc1O	114581821	PMYCQDQKLUJZNI-UHFFFAOYSA-N	295.383	1.542	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)Nc1ccncc1	115171583	ZFCHBMAXXQKPQQ-UHFFFAOYSA-N	273.292	1.857	10	20	CDCD	
C[C@H]1CO[C@H](CO)CN1Cc1cccc(Cl)c1O	305758323	BCERCWCVIICRRN-ONGXEEELSA-N	271.744	1.627	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2C[C@H](CO)OC[C@@H]2C)c1O	129270807	ZIQSRVGNASVLMZ-TVQRCGJNSA-N	297.326	1.316	10	20	CDCD	
Cc1cccc(CN2CCN(C[C@H](C)O)CC2)c1O	189837061	UMOMGWBZBMYPJN-ZDUSSCGKSA-N	264.369	1.199	10	20	CDCD	
COCCCCCNC(=O)c1ccc(C)c(O)c1O	182254559	XHYABJBGSIXQBD-UHFFFAOYSA-N	267.325	1.953	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2CC[C@@H]1CCOC1=O	181134479	BPBANVHIFCPNMH-GFCCVEGCSA-N	290.363	1.905	10	20	CDCD	
Cc1cccc(CNCCN2CCSCC2)c1O	225927718	BUOOEYFCVIUNQU-UHFFFAOYSA-N	266.410	1.839	10	20	CDCD	
COc1cccc(CNC(=O)CN2CCC(C)CC2)c1O	131286658	RBCVVFDUYKTNDO-UHFFFAOYSA-N	292.379	1.749	10	20	CDCD	
COc1cccc(CNC(=O)C2CCC(O)CC2)c1O	194477371	LUITUZVXWJVBNI-UHFFFAOYSA-N	279.336	1.568	10	20	CDCD	
CCCNC(=O)CN(C)C(=O)CSc1nccs1	193701539	JPVFKAIYVVBYKL-UHFFFAOYSA-N	287.410	1.220	10	20	CDCD	
Fc1cc(CNCc2cocn2)ccc1N1CCOCC1	237702424	XHGWWEIVAQEBEX-UHFFFAOYSA-N	291.326	1.940	10	20	CDCD	
O=C(/C=C/c1ccc(Cl)nc1)N1CCn2nccc21	367015653	LYFRSMUDVRVWCI-DUXPYHPUSA-N	274.711	1.992	10	20	CDCD	
COCC[C@](C)(O)CN[C@@H](C)c1cc([N+](=O)[O-])ccc1O	273562154	IHVCMFXPFBEUHW-HZMBPMFUSA-N	298.339	1.739	10	20	CDCD	
CCOCc1cc(CN[C@@H](CO)CCOC)ccc1OC	282364481	WLGCAZKRVFHFQC-OAHLLOKOSA-N	297.395	1.719	10	20	CDCD	
C[C@H](CC(N)=O)C(=O)NCc1ccc2c(c1)CCCN2C	282926807	FRAGOJQYQHLMIN-LLVKDONJSA-N	289.379	1.197	10	20	CDCD	
COc1ccc(O)c(CN2CC[C@@H](OC(=O)N(C)C)C2)c1	295178930	VKDYNBORGWEQDC-CYBMUJFWSA-N	294.351	1.673	10	20	CDCD	
CC[C@@H](N[C@@H](C)C(=O)NC)c1ccc(C)cc1O	291885044	JXTWQHDIVQKJJO-CMPLNLGQSA-N	250.342	1.876	10	20	CDCD	
CO[C@H](CNC(=O)NCc1ccccc1O)C1CC1	296812048	ITLNQADTGGEFSH-CYBMUJFWSA-N	264.325	1.616	10	20	CDCD	
Cc1cc(CN2CCS(=O)(=O)CC2)ccc1N(C)C	292986391	FQNBGZFJRWVSFL-UHFFFAOYSA-N	282.409	1.291	10	20	CDCD	
CCC[C@]1(CO)CCN(C(=O)c2c(F)ccc(O)c2O)C1	296164137	SYDCUDUXWRCIDO-HNNXBMFYSA-N	297.326	1.862	10	20	CDCD	
C[C@@H]1CCNC[C@H]1NC[C@@H](N)c1ccc(N(C)C)cc1	817941051	IKSXHLUOESWQSM-DAXOMENPSA-N	276.428	1.340	10	20	CDCD	
C[C@@H](N[C@@H]1CCCNC1)c1cc([N+](=O)[O-])ccc1O	817940104	FAVFDHZNFGVJTQ-NXEZZACHSA-N	265.313	1.703	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NC1(CCO)CC1	817138286	YKRWSHIMRWIPKG-DUXPYHPUSA-N	263.293	1.142	10	20	CDCD	
CC(=O)N1CCN(Cc2cc(Cl)c(F)cc2O)CC1	816480165	FKDRZEYKBQQIAX-UHFFFAOYSA-N	286.734	1.849	10	20	CDCD	
COc1cc(Cl)cc(CNCC2(CC(N)=O)CC2)c1O	817410852	IQIMQJIXRAAUAK-UHFFFAOYSA-N	298.770	1.799	10	20	CDCD	
CN(C[C@@H]1CCCN1C)C(=O)c1c(F)ccc(O)c1O	817770487	UMQLSARKXWLLBK-VIFPVBQESA-N	282.315	1.403	10	20	CDCD	
Oc1ccc(CCNC(=S)NC2CCC2)cc1O	814189806	XXBMILSWWDIQAW-UHFFFAOYSA-N	266.366	1.657	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNC(CF)CF)c1O	824555076	PUOOBVGQAWERNH-UHFFFAOYSA-N	276.239	1.706	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CC2COC2)cc1F	900435014	VZBYKJKQHNJUIJ-UHFFFAOYSA-N	266.316	1.544	10	20	CDCD	
COc1ccc(CNC(=O)C2(C(=O)C3CC3)CC2)c(O)c1	831032559	HGCDSJHODUTFIX-UHFFFAOYSA-N	289.331	1.776	10	20	CDCD	
Oc1cccc2c1[C@H](NC[C@H](O)COCC1CC1)CC2	834552201	XOVVRHPRTVVZHK-UONOGXRCSA-N	277.364	1.757	10	20	CDCD	
NC[C@H]1CCCn2ncc(C(=O)N3CCc4ccncc43)c21	592565880	APTLRYVEBPQBPZ-GFCCVEGCSA-N	297.362	1.317	10	20	CDCD	
O=C(NCc1nc(C2CC2)no1)NCc1ccccc1O	748460701	PYVSZBCOJLYYOJ-UHFFFAOYSA-N	288.307	1.652	10	20	CDCD	
C[C@H]1CNCCN1Cc1ccc(N2CCN(C)CC2)cc1	843047443	MBMZVHBPVDNSII-HNNXBMFYSA-N	288.439	1.232	10	20	CDCD	
CNCCCN(CCOC)c1ccc(OC)c(OC)c1	843359551	WCIOUIGNKGQZMF-UHFFFAOYSA-N	282.384	1.766	10	20	CDCD	
C[C@@H](N=c1nc[nH]n1C)c1ccc(N2CCOCC2)cc1	846748207	KDOPCEMCXQMSOB-GFCCVEGCSA-N	287.367	1.247	10	20	CDCD	
COc1cccc(CNc2ccnc(N(C)C)n2)c1O	740868015	BCEXWNTWFDYRRI-UHFFFAOYSA-N	274.324	1.869	10	20	CDCD	
Nc1ccc(CCNC(=O)NCCCn2ccnc2)cc1	841506242	AHTQTMTYDASVNY-UHFFFAOYSA-N	287.367	1.397	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC[C@]1(O)CCN(C)C1	840938992	IWQCNFKXBAXGQU-MRXNPFEDSA-N	277.412	1.217	10	20	CDCD	
CC[C@@H](O)CN[C@H](C)c1cc([N+](=O)[O-])ccc1O	850533110	ZQXHCTLUGFZVCG-PSASIEDQSA-N	254.286	1.722	10	20	CDCD	
CN(C)c1cc(F)c(CNCC[S@](C)=O)cc1F	858138883	CJSWLSOPKUNQNW-SFHVURJKSA-N	276.352	1.499	10	20	CDCD	
COC[C@](C)(O)CN[C@H](C)c1cc(F)cc(F)c1O	756577935	SWXSDTZMAUIPGP-AMIZOPFISA-N	275.295	1.718	10	20	CDCD	
C[C@@H](NCc1nc(O)cc(CN)n1)c1ccc(F)cc1O	854232360	NIOZISNQGWKXAO-MRVPVSSYSA-N	292.314	1.336	10	20	CDCD	
CCOC(=O)NCCC(=O)NCc1cc(C)ccc1O	862759503	GTTXBUHPTGSZQL-UHFFFAOYSA-N	280.324	1.453	10	20	CDCD	
Cc1ccn(C[C@@H](C)C(=O)NCc2ccc(O)c(O)c2)n1	866769064	HGWKGSBGNCKXSP-SNVBAGLBSA-N	289.335	1.555	10	20	CDCD	
CC(C)CC[C@H](CO)NC(=O)c1cccc(O)c1O	862778661	KDQXPAQBDKBNLP-SNVBAGLBSA-N	267.325	1.625	10	20	CDCD	
CNS(=O)(=O)C[C@@H]1CCCN1Cc1c(C)cccc1O	876789997	PFHFYLWIOZDCTN-LBPRGKRZSA-N	298.408	1.214	10	20	CDCD	
CCN[C@H](C)C(=O)N(C)CCN(C)c1ccc(OC)cc1	876949198	OMUOTWBZFGNCIW-CYBMUJFWSA-N	293.411	1.588	10	20	CDCD	
CN1C[C@@H](NCc2cc(Cl)cc(F)c2O)CC1=O	776151663	SCFLOAXTUIGIFD-VIFPVBQESA-N	272.707	1.505	10	20	CDCD	
OCC[C@@]1(NCc2cc(Cl)cc(F)c2O)CCOC1	775203029	AIRFGONISAVLCY-CYBMUJFWSA-N	289.734	1.816	10	20	CDCD	
Cc1ccc(CN2CCN(CC[S@@](C)=O)CC2)c(O)c1	876763901	QTTZHGVUDPVWLA-HXUWFJFHSA-N	296.436	1.197	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N[C@H]1CCn2ccnc2C1	779213171	DGDBAYWNGGVBHN-QQHVMHFCSA-N	299.330	1.439	10	20	CDCD	
CC[C@@H]1C(=O)NCCCN1C(=O)c1ccc(C)c(O)c1O	886506782	JZKSZAKEWHHMOM-LLVKDONJSA-N	292.335	1.147	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C1(C)CCOCC1	773762795	KNAJQBDODJFUJR-NSHDSACASA-N	293.363	1.962	10	20	CDCD	
COCCOC(=O)N(C)Cc1ccc(N(C)C)cc1	884888418	XSSVDRBJELXLCQ-UHFFFAOYSA-N	266.341	1.967	10	20	CDCD	
COc1ccc(O)c(CNCCC[S@@](C)=O)c1	164717780	DRXUDRBZDUGODK-KRWDZBQOSA-N	257.355	1.259	10	20	CDCD	
COc1cc(C)cc(CNC[C@@H](O)COCC2CC2)c1O	894218160	JFIVAZQHSWEZPS-CQSZACIVSA-N	295.379	1.586	10	20	CDCD	
Cc1ccc(O)c(CN2CCS(=O)(=O)[C@@H](C)[C@@H]2C)c1	93560297	LFJMLJNQMXBRMM-RYUDHWBXSA-N	283.393	1.708	10	20	CDCD	
Cc1cccnc1N(C)C(=O)/C=C/c1cnn(C)c1	791893058	JBYSTFFOYUOKPS-VOTSOKGWSA-N	256.309	1.800	10	20	CDCD	
COCCn1cc(CNCc2ccc(OC)cc2O)cn1	793386321	LKOOFDZVENCJNE-UHFFFAOYSA-N	291.351	1.534	10	20	CDCD	
CCN(CC)C(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	1342715643	VZDXABRIVDACAB-GFCCVEGCSA-N	291.395	1.798	10	20	CDCD	
COC[C@@H](CCO)N[C@H](C)c1ccc(N(C)C)cc1	223946865	TUFVLEZMEODTEK-TZMCWYRMSA-N	266.385	1.801	10	20	CDCD	
Nc1ccc(NC(=O)NC2CC(CC(=O)O)C2)cc1	1601216482	CMQOTHNLDAGLDK-UHFFFAOYSA-N	263.297	1.644	10	20	CDCD	
C[C@H]1C[C@H](N(C)C(=O)Cc2ccc(N)cc2)CCN1C	237560958	LKHKLZSRCSCJRB-SWLSCSKDSA-N	275.396	1.752	10	20	CDCD	
C[C@H](N[C@H]1CNCC[C@H]1C)c1cc(C(=O)O)ccc1O	1609774841	CFBAXJIAAHVVHV-NRUUGDAUSA-N	278.352	1.739	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N[C@H]1C[C@H](C(=O)O)C1	1601239223	VTTTXSAZGIPXFJ-FGVUVFCOSA-N	277.276	1.090	10	20	CDCD	
COc1cccc(O)c1CNC[C@@H](C)CCCO	824603693	XZVPZKSPUFJAAF-NSHDSACASA-N	253.342	1.899	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)CCC(=O)O	1573894627	JBLYKIKDZPLDTO-UHFFFAOYSA-N	272.297	1.359	10	20	CDCD	
NC[C@]12CC[C@@H]1CCN2Cc1cc(F)c(F)cc1O	1580253230	JHVVDLYWXSRJTE-QMTHXVAHSA-N	268.307	1.984	10	20	CDCD	
O=C(O)[C@H]1CCCN(Cc2ccc(F)c(F)c2O)C1	1595197081	VZQIQTDJSFJQTN-VIFPVBQESA-N	271.263	1.967	10	20	CDCD	
CCOc1cccc(CNCCS(=O)(=O)C2CC2)c1O	840964773	PTWVGXHHBHKRJY-UHFFFAOYSA-N	299.392	1.458	10	20	CDCD	
COc1cccc(O)c1CN[C@H](C)c1n[nH]c(C)n1	894771621	OVOFZSQQAZKWMN-MRVPVSSYSA-N	262.313	1.678	10	20	CDCD	
CN1CC[C@@H](N(C)Cc2cccc(Cl)c2O)C1=O	271759095	DIRCTZYHJVUSMD-LLVKDONJSA-N	268.744	1.708	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2cnccn2)c1	114542781	WKQZQZKZAHYXBW-UHFFFAOYSA-N	259.265	1.121	10	20	CDCD	
COc1ccc(O)c(CNCc2ccc(CO)o2)c1	174395096	ZQQBHDKIPVVPSE-UHFFFAOYSA-N	263.293	1.776	10	20	CDCD	
C[C@H]1C[C@H](NC(=O)c2cccc(O)c2O)CCO1	229417047	CFEIRHXPQZJZER-DTWKUNHWSA-N	251.282	1.395	10	20	CDCD	
Nc1ccc(CC(=O)NO[C@@H]2CCCCO2)cc1	238117218	NRFFJUMRVKONCH-CYBMUJFWSA-N	250.298	1.386	10	20	CDCD	
COCCN(CC(=O)N(C)C)Cc1ccc(N(C)C)cc1	91773658	HZITZFYQBNKYIL-UHFFFAOYSA-N	293.411	1.289	10	20	CDCD	
C[C@@H]1CN(Cc2cc(F)ccc2O)C[C@H]1C(=O)O	235348494	PDCGDVZBSNJZLW-LDYMZIIASA-N	253.273	1.684	10	20	CDCD	
CC(C)n1ccc(C(=O)NCc2ccc(O)c(O)c2)n1	269093858	MBXBXLYBQJKGFW-UHFFFAOYSA-N	275.308	1.805	10	20	CDCD	
CCCC(=O)N1CCC[C@H]1C(=O)NCc1ccccc1O	269152064	QDVJSOIQSRUVGQ-ZDUSSCGKSA-N	290.363	1.800	10	20	CDCD	
CC[C@@H](C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)C(=O)OC	276834871	PBCGVXQTDSPTQW-ONGXEEELSA-N	295.335	1.344	10	20	CDCD	
Cc1nc([C@H]2COCCN2Cc2ccccc2O)no1	369473670	XCBDZPHDENLYII-GFCCVEGCSA-N	275.308	1.657	10	20	CDCD	
CC(C)NS(=O)(=O)NCc1ccc2c(c1)CCCN2C	272232219	UUZUQGNTEQVISS-UHFFFAOYSA-N	297.424	1.401	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)[C@H](CN)OC)cc1	290016098	QQJIBXOGQLRLCZ-AWEZNQCLSA-N	279.384	1.123	10	20	CDCD	
C[C@@H]1CN(C(=O)CSc2nccs2)C[C@@H](C)O1	298501263	IVQWJJCCZMSSER-RKDXNWHRSA-N	272.395	1.871	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NC2CCOCC2)cc1	298841360	HPTKWTAZGVORRA-UHFFFAOYSA-N	277.368	1.731	10	20	CDCD	
C[C@@H]1[C@H](N2CCOCC2)CCN1Cc1cc(F)ccc1O	291614274	RGHPUWZHSVKNDN-IUODEOHRSA-N	294.370	1.826	10	20	CDCD	
NC(=O)C[C@H]1CCN(Cc2cc(Cl)cc(F)c2O)C1	809784950	MPDQQQPFMCPKHL-MRVPVSSYSA-N	286.734	1.882	10	20	CDCD	
CC(=O)C(=O)COC(=O)[C@H](C)Oc1ccccc1	808486092	GGNHBRIENAUBBZ-JTQLQIEISA-N	250.250	1.155	10	20	CDCD	
CCn1nncc1C(=O)NCc1ccc(N(C)C)cc1C	815629846	OPXXGLWKLFPJPK-UHFFFAOYSA-N	287.367	1.602	10	20	CDCD	
C[C@@H](NCC1CCNCC1)c1cc([N+](=O)[O-])ccc1O	817941175	NBTZDZSTKNLVTP-SNVBAGLBSA-N	279.340	1.951	10	20	CDCD	
COc1ccc(N2CC[C@H](CNC(=O)[C@@H](C)O)C2)cc1	819587513	ZZVXWJLKUKXHTI-VXGBXAGGSA-N	278.352	1.019	10	20	CDCD	
CO[C@@H]1COCC[C@H]1CNCc1cc(C)ccc1O	824708046	CXDLVMAYVDHTQX-SWLSCSKDSA-N	265.353	1.842	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)O[C@@H]1CCOC1	914145584	YSKRDXUTYGWWTB-LLVKDONJSA-N	251.282	1.750	10	20	CDCD	
CC(C)NC(=O)Cc1noc(Cc2ccc(N)cc2)n1	843214665	BIRYXIKSVZLEDS-UHFFFAOYSA-N	274.324	1.310	10	20	CDCD	
CO[C@@H](C)CC(=O)N(CC(=O)O)Cc1ccccc1O	911485527	JBVCUHIWAYBDRA-JTQLQIEISA-N	281.308	1.230	10	20	CDCD	
NC(=O)NCCCCC(=O)NCc1cc(Cl)ccc1O	846479887	PCVUSLMXVDIAAZ-UHFFFAOYSA-N	299.758	1.500	10	20	CDCD	
COc1ccc(N2CCC(N[C@H](CN)C3CC3)CC2)cc1	841027611	CWLLNZYFBZIBKJ-QGZVFWFLSA-N	289.423	1.991	10	20	CDCD	
COc1cccc(O)c1CNCC[C@@]1(O)CCCOC1	846112222	YJMSFEIJTUGAGB-HNNXBMFYSA-N	281.352	1.422	10	20	CDCD	
COCCN1C(=O)C2(CC2)N[C@H]1c1cccc(OC)c1O	840838969	UWPJHWJQUIWFMR-CYBMUJFWSA-N	292.335	1.010	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NC/C=C/CO)cc1	853244080	CZEFSCPJLQNKGV-ONEGZZNKSA-N	263.341	1.100	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@H]2C[C@@H](C(=O)O)C2)cc1	1346337021	RKAHZHLMUOHLOM-TXEJJXNPSA-N	276.336	1.480	10	20	CDCD	
C[C@@H](NCc1cc2c(cc1O)OCO2)C1(CO)CC1	696064215	SUJHKDANZSOOSU-SECBINFHSA-N	265.309	1.372	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@@H](C)CN2CCOCC2)c1	862757835	FXGDNXYDMHFMDO-ZDUSSCGKSA-N	292.379	1.285	10	20	CDCD	
COc1cc(CN(C)[C@H]2CCNC2=O)c(O)cc1C	768464591	CLXCERXVVKPBPN-NSHDSACASA-N	264.325	1.030	10	20	CDCD	
c1cc2c(cc1CNCc1nnc3n1CCOC3)CCO2	1116766382	MFPNBCHUJYQMFH-UHFFFAOYSA-N	286.335	1.033	10	20	CDCD	
Cc1noc(CCCOC(=O)c2cc(O)cs2)n1	763973898	VSSFDNXOFQIRSG-UHFFFAOYSA-N	268.294	1.935	10	20	CDCD	
CCN[C@H](C)C(=O)NCc1ccc2c(c1)CCCN2C	876742525	YBWURIHRDKLJBB-GFCCVEGCSA-N	275.396	1.683	10	20	CDCD	
CO[C@H]1CCC[C@H]1CNC(=O)c1cc(O)cs1	775617856	LQSKXTWIJIPKGT-WPRPVWTQSA-N	255.339	1.999	10	20	CDCD	
COC(=O)CN(Cc1cccc(C)c1O)C1CCOCC1	775723425	HJAKYVNINTUIQC-UHFFFAOYSA-N	293.363	1.855	10	20	CDCD	
CN(C)c1ccc([C@H](N)CNC(=O)c2ccc(N)nc2)cc1	876506644	NAVJFINFMNTXPC-CQSZACIVSA-N	299.378	1.160	10	20	CDCD	
CCCc1noc(COC(=O)c2cccc(O)c2O)n1	776282380	RGINBIIGUWKLDY-UHFFFAOYSA-N	278.264	1.790	10	20	CDCD	
Cc1cccc(CN2CCN(CC[S@@](C)=O)CC2)c1O	775716453	AJWHXJDYKJGRBA-HXUWFJFHSA-N	296.436	1.197	10	20	CDCD	
CCOCCOCCNC(=O)/C=C\c1ccc(O)c(O)c1	885758469	PPJXIXDJPZWVCI-XQRVVYSFSA-N	295.335	1.280	10	20	CDCD	
CON(C)C(=O)[C@H](C)N[C@@H](C)c1c(O)cccc1F	886644829	LNOCEYWDLXIVHH-IUCAKERBSA-N	270.304	1.590	10	20	CDCD	
COCC[C@]1(NCc2cc(OC)ccc2O)CCOC1	775201062	BMUVKZBGJXJSSJ-HNNXBMFYSA-N	281.352	1.686	10	20	CDCD	
COc1ncccc1C(=O)NCc1ccccc1O	133760432	CISGREYDZQJODZ-UHFFFAOYSA-N	258.277	1.726	10	20	CDCD	
CN(C)c1ccc(CNC2CCS(=O)CC2)cc1F	892737874	NGVZKIFBUMLMML-UHFFFAOYSA-N	284.400	1.892	10	20	CDCD	
COCC1(NCc2cc(C)cc(OC)c2O)CCOCC1	894856559	YAQYONPXHHTOBR-UHFFFAOYSA-N	295.379	1.994	10	20	CDCD	
O=S1(=O)CCN(Cc2ccc(N3CCCC3)cc2)CC1	1204323767	IZWOEEDSVYLXFE-UHFFFAOYSA-N	294.420	1.517	10	20	CDCD	
CC[C@@H](C)CS(=O)(=O)NCc1ccc(OC)cc1O	795362149	IFQORGUAMCAQLB-SNVBAGLBSA-N	287.381	1.866	10	20	CDCD	
CC[C@@H](NC[C@]1(O)CCOC1)c1ccc(C)cc1O	794815407	KKNJLSHHRQGPBH-UKRRQHHQSA-N	265.353	1.893	10	20	CDCD	
CC[C@@H](C)[C@@H](OC)C(=O)OCC(=O)c1ccc(O)c(O)c1	795999671	ZTXOTDZPSSWHAS-YMTOWFKASA-N	296.319	1.885	10	20	CDCD	
COC(=O)C[C@@H](NC(=O)c1cccc(O)c1O)C1CC1	790876724	ZXGWIKNJDLPFNQ-SNVBAGLBSA-N	279.292	1.169	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)CO[C@@H]1CCOC1	1323512918	WCDMDYWQNITOHX-GFCCVEGCSA-N	265.309	1.156	10	20	CDCD	
O=C(O)[C@@H]1C[C@@H](O)CN1Cc1cc(Cl)ccc1O	1601773200	QENIDQOFZZPPMF-ZJUUUORDSA-N	271.700	1.065	10	20	CDCD	
Nc1ccc(CNC(=O)N[C@@H](CO)CC2CCC2)cc1	1335737030	KFDNHBUNMZFAGT-CQSZACIVSA-N	277.368	1.619	10	20	CDCD	
COCCN(CC(=O)O)Cc1c(C)cccc1O	1593999585	DNSUFJVCHLEUPY-UHFFFAOYSA-N	253.298	1.234	10	20	CDCD	
Nc1ccc(CN2CCN(c3cnccn3)CC2)cc1	1352788466	PAJRCMAUDOJHCV-UHFFFAOYSA-N	269.352	1.381	10	20	CDCD	
O=C(O)C[C@@H]1CCC[C@H]1NC(=O)c1c(F)ccc(O)c1O	1608771392	MIDXEQYQYCGVKE-IONNQARKSA-N	297.282	1.610	10	20	CDCD	
Cc1cc(C(=O)O)nc(N2Cc3cccc(O)c3C2)n1	1607600772	BXAWBAZQRYRWOX-UHFFFAOYSA-N	271.276	1.709	10	20	CDCD	
Cc1ccc(C(=O)N2CC[C@H](C(=O)O)[C@@H](C)C2)c(O)c1O	1605246795	APNRVHPBAJTTBG-UWVGGRQHSA-N	293.319	1.589	10	20	CDCD	
Cc1ccc([C@@H](C)NC2CCN(CC(=O)O)CC2)c(O)c1	1594350338	ZKYBRBKFOFIKEH-GFCCVEGCSA-N	292.379	1.900	10	20	CDCD	
CN1CCCc2cc(CN=c3cc[nH]c(C(=O)O)n3)ccc21	1598603965	XLKYQWVIDYOCIV-UHFFFAOYSA-N	298.346	1.591	10	20	CDCD	
COc1cccc(CNc2cnn(CC(=O)O)c2)c1O	1594129856	UBXPCOIYKBKFKV-UHFFFAOYSA-N	277.280	1.294	10	20	CDCD	
CN(C[C@H]1C[C@@H](O)C1)c1ccc(OCC(=O)O)cc1	1777065437	MGTLUYRQBINIRC-KLPPZKSPSA-N	265.309	1.357	10	20	CDCD	
COCCC[C@@H](NCc1ccc(N(C)C)cc1)C(=O)O	1777203395	LTRPHHAUIVSWOX-CQSZACIVSA-N	280.368	1.722	10	20	CDCD	
Cc1ccc([C@@H](C)NC[C@H]2CCCNC2=O)c(O)c1	840825331	DWHHFRDGZMTSJF-VXGBXAGGSA-N	262.353	1.877	10	20	CDCD	
C[C@@H](CNC(=O)NCc1ccc(N(C)C)cc1)C(=O)O	848575175	LKSBXUBQCOGRHA-JTQLQIEISA-N	279.340	1.273	10	20	CDCD	
CCc1cccc(CNCCNC(=O)C2CC2)c1O	709429093	UOVWFCPREXKEFD-UHFFFAOYSA-N	262.353	1.570	10	20	CDCD	
CCc1cccc(CN2CCN(C(C)=O)CC2)c1O	692130145	TUTPRPFNCRRCMG-UHFFFAOYSA-N	262.353	1.619	10	20	CDCD	
O[C@@H]1CC[C@H]1NCc1ccc(N2CCOCC2)cc1	818231756	UQPJRPJMHRJQGG-HUUCEWRRSA-N	262.353	1.136	10	20	CDCD	
CC(=O)c1cc(Cl)cc(CN(C)[C@H]2CCNC2=O)c1O	759424589	RFTXLIQNALGLAD-LBPRGKRZSA-N	296.754	1.569	10	20	CDCD	
COCCN(C)C(=O)NCc1ccc(N(C)C)c(F)c1	57646962	USVMMDKYLNTRJJ-UHFFFAOYSA-N	283.347	1.680	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NCCCO)cc1F	57646741	NVGSESFHSGXHKV-UHFFFAOYSA-N	269.320	1.073	10	20	CDCD	
O=C([C@@H]1CCCO1)N1CCN(Cc2ccccc2O)CC1	179553115	RGKXEOUBVWUYHQ-HNNXBMFYSA-N	290.363	1.215	10	20	CDCD	
CCO[C@@H](C)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	186402652	LDXKOHYHTXYJDT-UWVGGRQHSA-N	267.325	1.570	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2	73107856	PTTSMVMWQFTZMI-BZPMIXESSA-N	261.321	1.918	10	20	CDCD	
O=C(C[C@H]1CCCCO1)NCc1ccc(O)c(O)c1	182523390	HJBBOFFLSMGZKD-LLVKDONJSA-N	265.309	1.673	10	20	CDCD	
Cc1cccc(CN(C)[C@@H](C)C[S@](C)=O)c1O	131189443	USEVQYNFGDPVQX-APPDUMDISA-N	255.383	1.899	10	20	CDCD	
CCOC(=O)[C@@H](C)NCc1cc(OC)ccc1O	49369208	BZRZXTWKICUQEO-SECBINFHSA-N	253.298	1.442	10	20	CDCD	
CCOc1cccc(CNC[C@@H](O)C(C)C)c1O	134698213	LPFVKXIGVONVGP-GFCCVEGCSA-N	253.342	1.897	10	20	CDCD	
Cn1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)c1	268630594	OQQXJBGLYNEBKG-UHFFFAOYSA-N	299.374	1.792	10	20	CDCD	
O=S(=O)(CC1CCOCC1)NCc1ccccc1O	266170184	NEUZSBOZOWJJMK-UHFFFAOYSA-N	285.365	1.238	10	20	CDCD	
C[C@H](NC(=O)NCc1ccc(N(C)C)cc1)[C@H]1CCOC1	266484516	CJYIHCKXIOTKAW-JSGCOSHPSA-N	291.395	1.977	10	20	CDCD	
O=C1CCCN1[C@@H]1CCN(Cc2cc(F)ccc2O)C1	276815595	OPWMEWRFLZIYOK-CYBMUJFWSA-N	278.327	1.728	10	20	CDCD	
C[C@H](N[C@H](C)C(=O)NCCF)c1ccc(N(C)C)cc1	282864729	UVUZCYJAURFEEM-NWDGAFQWSA-N	281.375	1.877	10	20	CDCD	
CCOC(=O)c1cccnc1SCC(=O)C(C)=O	289776651	WRERSFVNVQJNRO-UHFFFAOYSA-N	267.306	1.509	10	20	CDCD	
CC[C@@H](N[C@@H]1COC[C@H]1O)c1ccc(F)cc1O	295930631	KSVJAMYMWURCTM-NQBHXWOUSA-N	255.289	1.332	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN(C)C[C@@H](C)O)c1O	291063861	KILQZGAMMVDRHQ-MRVPVSSYSA-N	270.285	1.122	10	20	CDCD	
C[C@@H](NC(=O)c1cn(C)nn1)c1ccc(N(C)C)cc1	808419369	JOLTYQNEXXVYQL-SNVBAGLBSA-N	273.340	1.372	10	20	CDCD	
C[C@H](CCO)CCNC(=O)NCc1ccc(N(C)C)cc1	296443607	UBHPQFJRGZGZHC-ZDUSSCGKSA-N	293.411	1.960	10	20	CDCD	
C[C@H](CC(=O)NCCc1ccc(O)c(O)c1)n1cccn1	819398016	OACAFCYPSNIGQI-LLVKDONJSA-N	289.335	1.604	10	20	CDCD	
CCOc1ccc(O)c(CN[C@H](CC)C(=O)O)c1	818244740	FENQOKVCMHVOQT-LLVKDONJSA-N	253.298	1.744	10	20	CDCD	
C[C@@H](NC[C@H](N)c1ccc(N(C)C)cc1)c1ncc[nH]1	817941846	LCKYBLWHGQPJNW-RISCZKNCSA-N	273.384	1.826	10	20	CDCD	
O=C1CN(Cc2ccccc2O)C(=O)N1CC1CCC1	819164009	DNVBWHUQVMIWBF-UHFFFAOYSA-N	274.320	1.957	10	20	CDCD	
COc1ccc(CNC(=O)C[C@H](C)n2cccn2)c(O)c1	819520791	PJWMMPNABWXWFP-NSHDSACASA-N	289.335	1.865	10	20	CDCD	
CCn1cc(-c2n[nH]cc2C(=O)N2CCn3nccc32)cn1	576180113	PMZQABRAAIYLCR-UHFFFAOYSA-N	297.322	1.150	10	20	CDCD	
CNC(=O)c1ccc(C(=O)N(C)Cc2ccccc2O)cn1	728602732	PBJMFSVBZMNWRN-UHFFFAOYSA-N	299.330	1.419	10	20	CDCD	
COc1cc(O)c(CN2C[C@@H](C)C[C@@H](O)C2)cc1OC	825315764	GSMVMLGLMHMOJV-CMPLNLGQSA-N	281.352	1.612	10	20	CDCD	
COc1cccc(CN(C)C2(CO)CCC2)c1O	827904028	TZCLPFWBJJDEQZ-UHFFFAOYSA-N	251.326	1.748	10	20	CDCD	
COc1ccc(N2CC[C@H](CN[C@H](C)C(=O)O)C2)cc1	904250036	WQLZMQGOKWCDAV-VXGBXAGGSA-N	278.352	1.584	10	20	CDCD	
Cc1ccc(CN(C)c2ccc(OCC(=O)O)cc2)nn1	902016047	JOFCVQWHWHDZCB-UHFFFAOYSA-N	287.319	1.885	10	20	CDCD	
CN1CCCc2cc(CNC(=O)[C@@H]3[C@@H]4CCC(=O)[C@H]43)ccc21	906456008	WXPLWFOTGCJDBX-XOKHGSTOSA-N	298.386	1.910	10	20	CDCD	
O=C(O)[C@@H](O)C1CCN(Cc2cc(F)ccc2O)CC1	833771139	WLIBSJLRRUQZHP-ZDUSSCGKSA-N	283.299	1.189	10	20	CDCD	
CN(C)c1ccc(CNC(=O)O[C@@H]2CCOC2)cc1	913862574	UFKLJWJXINHEIY-CYBMUJFWSA-N	264.325	1.768	10	20	CDCD	
O=C(CCN1CCOC1=O)NCc1cc(Cl)ccc1O	846472334	IECJYMGFQNFLAE-UHFFFAOYSA-N	298.726	1.504	10	20	CDCD	
CCN1CCC[C@@H]1CNC(=S)NCc1cccn1C	743061905	QITRVHLGVDZDAX-CYBMUJFWSA-N	280.441	1.474	10	20	CDCD	
COC(=O)C[C@@H](NC(=O)Nc1ccc(N)cc1)C1CC1	841299558	ITBUMSJWCLQIGO-GFCCVEGCSA-N	277.324	1.732	10	20	CDCD	
CC[C@H](O)CN(C)CCN(C)c1ccc(OC)cc1	844398714	ACHMTZXNEYYKSE-AWEZNQCLSA-N	266.385	1.834	10	20	CDCD	
C[C@@H]1C[C@H](NCc2cc([N+](=O)[O-])ccc2O)CCN1C	742375090	NFILPNGATHTHCY-ZYHUDNBSSA-N	279.340	1.873	10	20	CDCD	
C[C@@H](NCc1ccc(N(C)C)cc1)c1cnnn1C	924575235	SSPOGVWWDVUWMH-LLVKDONJSA-N	259.357	1.732	10	20	CDCD	
COC(=O)[C@H]1C[C@H](O)CN(Cc2cc(Cl)ccc2O)C1	843434073	HILLEPDRPNYLKJ-JQWIXIFHSA-N	299.754	1.401	10	20	CDCD	
CCc1cccc(CN2CC(S(=O)(=O)CC)C2)c1O	848913696	BOTBDJXIDRMDIT-UHFFFAOYSA-N	283.393	1.574	10	20	CDCD	
O=C(NCc1ccccc1O)c1cnc2n1CCCC2	750787619	ILALOFQVZQAFMY-UHFFFAOYSA-N	271.320	1.855	10	20	CDCD	
O=C(NCc1ccccc1O)c1ccnc(C(=O)O)c1	833146347	ABELDHPATOBPMI-UHFFFAOYSA-N	272.260	1.415	10	20	CDCD	
Cc1ccc(C(=O)OCC[C@H]2CCOC2=O)c(O)c1O	754096237	NLAKCJIRJONCJK-SECBINFHSA-N	280.276	1.516	10	20	CDCD	
CCO[C@H]1COCC[C@H]1NC(=O)c1ccc(C)c(O)c1O	760053885	RSJURPMDDVSRBI-NEPJUHHUSA-N	295.335	1.330	10	20	CDCD	
O=C(NC[C@@H]1CCCN1CC(F)F)c1cc(O)cs1	862694717	FERMHKZDCWJHIL-QMMMGPOBSA-N	290.335	1.913	10	20	CDCD	
CCOc1ccc(O)c(CN[C@H]2C[C@H](C(=O)O)C2)c1	874053573	JYUXOGIQHGMRBH-HOMQSWHASA-N	265.309	1.744	10	20	CDCD	
Cc1ccc(CN2CC[C@@H]3NC(=O)OC[C@H]3C2)c(O)c1	877497139	GWGJHOPYMYWUTM-OLZOCXBDSA-N	276.336	1.631	10	20	CDCD	
COc1ccc(CN[C@H](C)C[C@H]2CCCC(=O)N2)c(O)c1	877493155	HICZICCLEVNJDM-DGCLKSJQSA-N	292.379	1.938	10	20	CDCD	
CC(=O)NC[C@H]1CN(Cc2ccc(C)cc2O)CCO1	876742485	PWDGDWWCYFEMCM-AWEZNQCLSA-N	278.352	1.038	10	20	CDCD	
CN1CC[C@](O)(CNCc2cc(F)c(N(C)C)cc2F)C1	1118909389	SOWPXAKWYLMRME-HNNXBMFYSA-N	299.365	1.187	10	20	CDCD	
Cc1ccc(C(=O)OCCn2ccnc2)c(O)c1O	771937971	MWRXXTKJJRQEJH-UHFFFAOYSA-N	262.265	1.460	10	20	CDCD	
Cc1conc1C(=O)NC[C@H](N)c1ccc(N(C)C)cc1	876507004	SOXSABSPWLJQMC-ZDUSSCGKSA-N	288.351	1.479	10	20	CDCD	
Nc1ccc(OCc2cn(C[C@@H]3CCCOC3)nn2)cc1	881228313	JGYYAKIWYPYBJT-LBPRGKRZSA-N	288.351	1.866	10	20	CDCD	
Cc1noc([C@@H](C)NC(=O)/C=C/c2ccc(O)c(O)c2)n1	779506655	RLYMDNWGASLYIW-YZCDNWJKSA-N	289.291	1.680	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)NCc1ccc(F)cn1	779532119	DXJGXDVKKLHRMQ-KXFIGUGUSA-N	288.278	1.962	10	20	CDCD	
Nc1ccc(CNC(=O)N[C@H]2CCN3CCCC[C@H]23)cc1	1120486509	UYBQPEDVHJUXSU-LSDHHAIUSA-N	288.395	1.695	10	20	CDCD	
Nc1ccc(CNC(=O)NCC2(O)CCCC2)cc1	1120681141	GJCAMTLHNBXHSU-UHFFFAOYSA-N	263.341	1.373	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@@H]1NCCc2occc21	1121847657	BHHFZOZCRYIQQH-OAHLLOKOSA-N	286.331	1.831	10	20	CDCD	
COc1ccc(CN[C@H](CO)CC(F)F)c(O)c1OC	894037105	WIVRQOIAIDGYLU-VIFPVBQESA-N	291.294	1.515	10	20	CDCD	
COc1ccc(CN(CCO)C2CCC2)c(O)c1OC	893902283	XMFQJQUXCPBFPN-UHFFFAOYSA-N	281.352	1.756	10	20	CDCD	
Oc1c(F)cc(F)cc1CNC[C@H](O)C(F)(F)F	708465508	JABRGZUGRZPIOQ-QMMMGPOBSA-N	271.185	1.683	10	20	CDCD	
C[C@@H]1CN(Cc2c(O)ccc(Cl)c2F)CCN1	792156304	AJYVRLAWQPXIFX-MRVPVSSYSA-N	258.724	1.978	10	20	CDCD	
C[C@@H]1CS(=O)(=O)C[C@@H]1NCc1ccc(N(C)C)cc1	711727969	UHVYLGDNIURZRX-RISCZKNCSA-N	282.409	1.275	10	20	CDCD	
CCCN(Cc1ccccc1O)Cc1nnnn1C	727830675	GPIKPPZBYNPBOP-UHFFFAOYSA-N	261.329	1.328	10	20	CDCD	
C[C@@H](CN[C@@H]1CCc2cccc(O)c21)S(C)(=O)=O	697567081	HJOIJCCCDUEDBA-GXSJLCMTSA-N	269.366	1.402	10	20	CDCD	
CC(C)(O)CN(C(=O)NCc1ccc(N)cc1)C1CC1	1338792706	HIBUQSVVOHRVHQ-UHFFFAOYSA-N	277.368	1.714	10	20	CDCD	
Nc1ccc(CNC(=O)N2CCO[C@@H]3CCC[C@@H]32)cc1	1335737418	PIUYXIVZWQZZIK-UONOGXRCSA-N	275.352	1.732	10	20	CDCD	
C[C@H](NC[C@@]1(O)CCO[C@H]1C)c1cc(C(=O)O)ccc1O	1609780699	VFWLVRJPWAWINH-YHAQOWFVSA-N	295.335	1.281	10	20	CDCD	
NC(=O)N=Nc1ccc(C(=O)NCCCC(=O)O)cc1	1605635028	ZIVLWCMSXSJYLM-UHFFFAOYSA-N	278.268	1.444	10	20	CDCD	
C[C@@H](NCc1cncn1C)c1cc(C(=O)O)ccc1O	1604349381	SNJYGYOMKHVIFX-SECBINFHSA-N	275.308	1.675	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)C1(C(=O)O)CC1	1610013700	GJRKGTNFTDYHKO-UHFFFAOYSA-N	284.308	1.359	10	20	CDCD	
Cc1ccc(C(=O)N[C@H]2CCC[C@@H]2C(=O)O)c(O)c1O	1610484481	COFIVVDOTXYCAE-WPRPVWTQSA-N	279.292	1.389	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](C)C(=O)O	229337928	ZYFMYJOKKBESHQ-NSHDSACASA-N	278.352	1.822	10	20	CDCD	
COc1cc(C)cc(CN[C@]23CCC[C@H]2CNC3)c1O	1579144890	LECMNNZSNLATSX-BBRMVZONSA-N	276.380	1.941	10	20	CDCD	
COC(C)(C)CN[C@H](C)c1cccc(-c2nn[nH]n2)c1O	1591314733	REAJKJSWDVRIHT-SECBINFHSA-N	291.355	1.648	10	20	CDCD	
COC(=O)c1cc(OCC(=O)O)ccc1N(C)C	1593875314	HXLUTRFRGSLKNO-UHFFFAOYSA-N	253.254	1.003	10	20	CDCD	
Cn1ccc(CNCc2ccc(C(=O)O)cc2O)n1	1777562954	BHLWVQPKLFSRCW-UHFFFAOYSA-N	261.281	1.114	10	20	CDCD	
COc1ccc(O)c(CNC(=O)NC(C)(C)C)c1	151211292	HOHVTLKQBANUGU-UHFFFAOYSA-N	252.314	1.999	10	20	CDCD	
Nc1ccc(CC(=O)NCCC[C@H]2CCCN2)cc1	834849154	RCVNDTFMIBCNOA-CQSZACIVSA-N	261.369	1.460	10	20	CDCD	
CCOc1cccc(CNC[C@@H]2COCCO2)c1O	38060364	FUSRDMSRHMCVSC-GFCCVEGCSA-N	267.325	1.296	10	20	CDCD	
C[C@H](CN)N(C)Cc1cccc(Br)c1O	381753358	RPVNEFISKXMMFG-MRVPVSSYSA-N	273.174	1.934	10	20	CDCD	
C[C@@H]1CC[C@H](CNCc2cc3c(cc2O)OCO3)O1	398126559	TXKDBNJUUWZHEQ-MWLCHTKSSA-N	265.309	1.778	10	20	CDCD	
CN1CCc2cc(OC[C@@H]3C[N@]3Cc3cnn(C)c3)ccc21	1887518962	BGXDWUUXFACIOZ-BTYIYWSLSA-N	298.390	1.676	10	20	CDCD	
CCn1cnnc1CNCc1c(O)cccc1Cl	113322719	WOLIZTMLVLOLMX-UHFFFAOYSA-N	266.732	1.947	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2ccc3[nH]nnc3c2)c1	114542195	KVWBVWMQTJOGOE-UHFFFAOYSA-N	298.302	1.602	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc[nH]n1	183485622	OVWQQEQPAZOQEB-MRVPVSSYSA-N	261.281	1.182	10	20	CDCD	
COCC(C)(C)C(=O)NCCc1ccc(O)c(O)c1	122328951	ZEAWVSWLNWJXTM-UHFFFAOYSA-N	267.325	1.429	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CC[C@@H](CN2CCCC2)C1	187117571	WBXLLJAOWLMLJW-LBPRGKRZSA-N	290.363	1.656	10	20	CDCD	
C[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)C1CC1	48923752	STQCXAJWVYRGPJ-QMMMGPOBSA-N	298.364	1.292	10	20	CDCD	
COC(=O)[C@]1(C)CCN(Cc2cc(F)ccc2O)C1	180229708	QNLRJNMZPVQJSP-CQSZACIVSA-N	267.300	1.916	10	20	CDCD	
CCCN(C)CC(=O)NCc1ccc(N(C)C)cc1	49480524	VOLAUPJTYFWZCF-UHFFFAOYSA-N	263.385	1.711	10	20	CDCD	
COc1ccc(O)c(CN2CCC(CNC(C)=O)CC2)c1	224467510	NQZRNDPJCOFVLR-UHFFFAOYSA-N	292.379	1.749	10	20	CDCD	
CO[C@@H](C)CC(=O)NCc1ccc(N(C)C)c(F)c1	195388857	AQCZZAHPLCXJBB-JTQLQIEISA-N	268.332	1.933	10	20	CDCD	
Nc1ccc(CCNC(=O)[C@@H]2Cc3ccccc3CN2)cc1	237944859	YYUZQERYQNXODS-KRWDZBQOSA-N	295.386	1.642	10	20	CDCD	
Cc1cccc(CN2CCC[C@@H](CS(C)(=O)=O)C2)c1O	294026597	VIJMNQGBFFJLOT-CYBMUJFWSA-N	297.420	1.957	10	20	CDCD	
O=C(/C=C\c1cccnc1)NCc1ccc(O)c(O)c1	255596495	CTFWMTMIRRIWFG-XQRVVYSFSA-N	270.288	1.822	10	20	CDCD	
C[C@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1O)c1ncnn1C	276572008	HGXJXWQHLMQQEX-BDAKNGLRSA-N	291.311	1.841	10	20	CDCD	
CCOC(=O)C(C)(C)C(=O)NCc1ccc(O)c(O)c1	272326770	LRUBKTZJEUHUEO-UHFFFAOYSA-N	281.308	1.303	10	20	CDCD	
CN1CC=C(CNC(=O)/C=C/c2ccc(O)c(O)c2)CC1	272626158	JQMXOUMSCBAADU-HWKANZROSA-N	288.347	1.489	10	20	CDCD	
CCCN(Cc1cnnn1C)c1ccc(CN)cc1	278429180	SWJVLFJELFLIDN-UHFFFAOYSA-N	259.357	1.690	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)[C@@H]1OC[C@@H]2CCC[C@@H]21	365963067	QFALAQJXVLOFFS-COPLHBTASA-N	277.320	1.529	10	20	CDCD	
CC[S@@](=O)CC(=O)N(C)Cc1ccccc1O	278993487	ZROQKGODWDGLBL-QGZVFWFLSA-N	255.339	1.119	10	20	CDCD	
CN(C)c1ccc(CN2C(=O)N[C@@H](C3CC3)C2=O)cc1	277265030	HZQDHABVEVQARH-ZDUSSCGKSA-N	273.336	1.583	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H](C)C(=O)OC(C)(C)C)c(O)c1O	272783048	VLTWAILNHKPFNA-VIFPVBQESA-N	295.335	1.866	10	20	CDCD	
C[C@@H]1CN(Cc2cc(F)ccc2O)CC[S@@](=O)C1	277636351	YDUQVNRROUAJDB-MLCYQJTMSA-N	271.357	1.732	10	20	CDCD	
CC(C)c1nc([C@H](C)NC(=O)c2cccc(O)c2O)n[nH]1	280043501	ZMXQSDHBAWPRBO-QMMMGPOBSA-N	290.323	1.830	10	20	CDCD	
CN(C)c1ccc(CNC(=O)C2(N)CCC2)cc1F	295606785	DIBKEALJMZLIPL-UHFFFAOYSA-N	265.332	1.389	10	20	CDCD	
Cc1ccc(C(=O)N2CCC[C@H]3CN(C)C[C@H]32)c(O)c1O	819719331	UDLIUWKKUFAYGT-WCQYABFASA-N	290.363	1.572	10	20	CDCD	
NC(=O)Cc1ccc(CNCc2cc(F)ccc2O)cc1	811509737	BUZXFEGDVSTSMR-UHFFFAOYSA-N	288.322	1.849	10	20	CDCD	
COc1cc(O)c(CN2CC[C@H](C(=O)O)C2)cc1OC	820775494	YLCABMILSNBWGI-VIFPVBQESA-N	281.308	1.316	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)Cn2ccc(C)n2)c1	825737078	RWOAPEFMJCZLBL-LLVKDONJSA-N	289.335	1.783	10	20	CDCD	
Cc1ccc(/C=C2/SC(=S)N(CC(N)=O)C2=O)cc1	727177069	VVFGMSMZTWFETC-UXBLZVDNSA-N	292.385	1.682	10	20	CDCD	
C[C@H]1C(=O)CCCN1C(=O)c1c(F)ccc(O)c1O	900711417	IBCXHGHUZDZGCZ-ZETCQYMHSA-N	267.256	1.431	10	20	CDCD	
COc1ccc(CNC(=O)[C@H]2[C@H]3C(=O)CC[C@H]32)c(O)c1	907924962	BCZGCCPVWFCMFK-LERXQTSPSA-N	275.304	1.242	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CN(C)C1CCC1	907275020	VCBBXKLWWDBTSE-NSHDSACASA-N	292.379	1.629	10	20	CDCD	
O=C(Cc1cnc[nH]1)NCc1ccc(N2CCCC2)cc1	900187137	BRYYNYVORHCJCC-UHFFFAOYSA-N	284.363	1.869	10	20	CDCD	
Cc1ccc(C(=O)OCCCN2CCOC2=O)c(O)c1O	733475958	IADGVRSDRRKLQL-UHFFFAOYSA-N	295.291	1.405	10	20	CDCD	
Cc1nccnc1CCNC(=O)c1cc(O)cs1	832893852	CYXXPULXPMSIPI-UHFFFAOYSA-N	263.322	1.525	10	20	CDCD	
CC[C@H](C)[C@](C)(O)CNC(=O)NCCc1ccc(N)cc1	841955186	VFOATCKLOSPIBP-BLLLJJGKSA-N	293.411	1.908	10	20	CDCD	
O=C(O)CCCC(=O)NCc1cc(Cl)ccc1O	911328848	CIJUEWZPZYMYIM-UHFFFAOYSA-N	271.700	1.917	10	20	CDCD	
CCc1cccc(CNC[C@@H](O)COCC2CC2)c1O	848895983	XCQKYOYLJDUPCM-OAHLLOKOSA-N	279.380	1.832	10	20	CDCD	
CCS(=O)(=O)C1CN(Cc2cccc(C)c2O)C1	841886592	UEKHAZYZDZBKEA-UHFFFAOYSA-N	269.366	1.320	10	20	CDCD	
Oc1ccc(F)cc1CNCc1nc([C@@H]2CCCO2)n[nH]1	848924692	YDRJFLXITWPYLD-LBPRGKRZSA-N	292.314	1.791	10	20	CDCD	
Cc1cc(CC(=O)NCCc2ccc(O)c(O)c2)on1	845834035	RLNOBTBITOLPGA-UHFFFAOYSA-N	276.292	1.296	10	20	CDCD	
COc1cccc([C@H](C)NCCN2CCOC[C@H]2C)c1O	846143732	GKKKDPTZQCQVCE-OLZOCXBDSA-N	294.395	1.772	10	20	CDCD	
COC[C@H](C)N[C@H](C)c1cc(C(=O)OC)ccc1O	756340098	HXMPZZGZFVKHNI-VHSXEESVSA-N	267.325	1.864	10	20	CDCD	
CC1(COC(=O)/C=C\c2ccc(O)c(O)c2)COC1	759590780	XNMQUFVMBPLVDD-HYXAFXHYSA-N	264.277	1.691	10	20	CDCD	
CN(C)c1cc(F)c(CNC[C@@H]2CNC(=O)C2)cc1F	858176530	AMUIGNILQLNLOY-SECBINFHSA-N	283.322	1.257	10	20	CDCD	
O=C(NCc1cc(Cl)ccc1O)c1cnsn1	857547846	WRALEXYBMFEJOW-UHFFFAOYSA-N	269.713	1.827	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)Nc2nnn(C)c2C)c1	861180313	GDZBBMNGNPATKS-UHFFFAOYSA-N	275.312	1.459	10	20	CDCD	
C[C@@H](NC[C@]1(O)CCN(C)C1)c1cc(F)cc(F)c1O	762784875	BEYUKHFKVFCBPG-YMTOWFKASA-N	286.322	1.388	10	20	CDCD	
CON(C)C(=O)[C@H](C)NCc1cc(F)ccc1O	862539382	NQGTYGVNLWWZGO-QMMMGPOBSA-N	256.277	1.029	10	20	CDCD	
CC(C)(CO)N1CCN(Cc2c(O)cccc2Cl)CC1	769446750	UQENZHHKYVFCBY-UHFFFAOYSA-N	298.814	1.934	10	20	CDCD	
CNS(=O)(=O)CCCNCc1cc(C)c(C)cc1O	865706833	IINOQDZGNFYEBT-UHFFFAOYSA-N	286.397	1.038	10	20	CDCD	
CO[C@]1(CN(C)c2ccc3c(c2)OCO3)CCOC1	877179644	FFGOOODXOQWTJW-AWEZNQCLSA-N	265.309	1.657	10	20	CDCD	
CNC(=O)[C@H](C)CN(C)Cc1cc(Cl)cc(F)c1O	775736294	BPLQFQCRKSSKDT-MRVPVSSYSA-N	288.750	1.999	10	20	CDCD	
OC1CCN(c2ccc(CN3CC[C@H](O)C3)cc2)CC1	876590642	ZSCTWUFAGXRDHE-INIZCTEOSA-N	276.380	1.214	10	20	CDCD	
COCC[C@](C)(O)CNC(=O)/C=C/c1ccc(O)c(O)c1	779525354	KNTYIFVHBUDVKC-DRDHIDPGSA-N	295.335	1.015	10	20	CDCD	
OC[C@H](C[C@@H]1CCCO1)NCc1cc2c(cc1O)OCO2	886228580	BOYHBBPQZKFKEE-RYUDHWBXSA-N	295.335	1.141	10	20	CDCD	
OCC[C@H]1CCCN1Cc1ccc(N2CCOCC2)cc1	779202610	QHQUGISGEVBQNV-MRXNPFEDSA-N	290.407	1.870	10	20	CDCD	
C[C@H](N[C@@H](C)[C@@H]1CN(C)CCO1)c1c(O)cccc1F	886553474	OCHASPXSWXXPQV-MJVIPROJSA-N	282.359	1.901	10	20	CDCD	
CNC(=O)[C@H]1CCCCN1Cc1cc(C)cc(OC)c1O	893947010	GUPGDTFFZKAWJG-CYBMUJFWSA-N	292.379	1.810	10	20	CDCD	
COC(=O)[C@H](C)NCc1ccc(N2CCOCC2)c(F)c1	793182687	NTBWDDBAEDXEFC-NSHDSACASA-N	296.342	1.313	10	20	CDCD	
COC[C@@](C)(O)CNCc1c(O)ccc(Cl)c1F	790962693	GWCLJYFMDGCUBX-LBPRGKRZSA-N	277.723	1.672	10	20	CDCD	
CCN(CC(N)=O)Cc1c(O)cccc1Br	707144038	XWUGHSSRQIKLNM-UHFFFAOYSA-N	287.157	1.462	10	20	CDCD	
COc1ccc(CNC(=O)C2(SC)CC2)c(O)c1	794390982	SEGGSZVANPRUPY-UHFFFAOYSA-N	267.350	1.913	10	20	CDCD	
C[C@@H]1CC[C@@H](C)N1C(=O)C(=O)NCCc1ccc(N)cc1	1325745869	NMXIJNYLFNYLIY-VXGBXAGGSA-N	289.379	1.327	10	20	CDCD	
CC(C)[C@](C)(O)CNC(=O)NCc1ccc(N)cc1	1336290430	NQIGBFZHPFZNJL-CQSZACIVSA-N	265.357	1.475	10	20	CDCD	
C[C@H]1C[C@H](C(=O)NCc2cccc(O)c2O)CCO1	1350300200	NVKQOADMBYYVRS-VHSXEESVSA-N	265.309	1.529	10	20	CDCD	
CN(C)[C@H](C(=O)Nc1ccc(N)cc1)c1cncn1C	1356608622	QRPKQEWAKQRUIP-ZDUSSCGKSA-N	273.340	1.244	10	20	CDCD	
CC(C)CNC(=O)CN[C@H](C)c1c(O)cccc1F	1353352656	ARWAALNWTHPOBK-SNVBAGLBSA-N	268.332	1.954	10	20	CDCD	
C[C@@H](CO)COc1ccc(N(C)C)c(C(=O)O)c1	1604201457	CMQXXEXORJABFY-VIFPVBQESA-N	253.298	1.458	10	20	CDCD	
CCOc1cccc(CN2CC[C@@H](N)[C@@H](C)C2)c1O	227056305	JIUNNCYRRLJJGT-WCQYABFASA-N	264.369	1.960	10	20	CDCD	
O=C(O)COc1cccc(/C=C2/SC(=S)NC2=O)c1	2121651	MARSCECOJUOAER-WEVVVXLNSA-N	295.341	1.639	10	20	CDCD	
CCOC[C@@H](C)CS(=O)(=O)NCc1ccc(N)cc1	1578102559	VDRVIESYRSAALK-LLVKDONJSA-N	286.397	1.361	10	20	CDCD	
CCN(Cc1ccc(C)cc1O)[C@H](C)CS(C)(=O)=O	876738007	XZHJYVNKXCSRCM-GFCCVEGCSA-N	285.409	1.956	10	20	CDCD	
Cc1cc(NS(=O)(=O)c2c(C)nn(C)c2C)ccc1O	148625330	RRIBBHNNCBNCLI-UHFFFAOYSA-N	295.364	1.852	10	20	CDCD	
Nc1ccc(CC(=O)N2CCC(CCO)CC2)cc1	401050066	SSUATEMFMJISCO-UHFFFAOYSA-N	262.353	1.432	10	20	CDCD	
C[C@H]1CN(C(=O)c2cccc(O)c2O)C[C@@]1(C)CO	703710704	SMQSNIXAAJIJEU-XPTSAGLGSA-N	265.309	1.188	10	20	CDCD	
COC[C@@](C)(O)CN[C@@H](C)c1ccc(F)cc1O	382544686	FLHUNPORKQAJGL-ZANVPECISA-N	257.305	1.579	10	20	CDCD	
COc1ccc(N2CCCN(C(=O)[C@H](C)OC)CC2)cc1	55878703	XHBUOVLJFIOZOZ-ZDUSSCGKSA-N	292.379	1.769	10	20	CDCD	
CCn1ccnc(N(C)Cc2ccc(N(C)C)cc2)c1=O	179695303	YXQOBKFJAIUZQY-UHFFFAOYSA-N	286.379	1.966	10	20	CDCD	
Cc1ccc(C(N)=O)cc1NC(=O)c1cccc(O)c1O	188314501	KMJDLHVPSAQMJP-UHFFFAOYSA-N	286.287	1.757	10	20	CDCD	
Nc1ccc(CN2CC[C@H]3NC(=O)CC[C@@H]3C2)cc1	128859117	OFNRAKGYBGJDNA-TZMCWYRMSA-N	259.353	1.369	10	20	CDCD	
COc1cc(O)c(CNC[C@H](C)OC)cc1OC	191204465	JQDINXVVJFQYKR-VIFPVBQESA-N	255.314	1.534	10	20	CDCD	
NC(=O)CC[C@H]1CCCN(C(=O)Cc2ccc(N)cc2)C1	237873828	UPIQCKLALQLODR-CYBMUJFWSA-N	289.379	1.315	10	20	CDCD	
CCN(CC)c1ccc(CN2CCO[C@@H](C(N)=O)C2)cc1	92735787	JLVWHWIMJIRRGR-OAHLLOKOSA-N	291.395	1.219	10	20	CDCD	
Nc1ccc(CC(=O)N2CCC[C@@H]2CN2CCCC2)cc1	237882640	WMCPDIKMCJFRLB-MRXNPFEDSA-N	287.407	1.898	10	20	CDCD	
COC(=O)[C@@]1(C)CCN(Cc2cccc(OC)c2O)C1	93813875	BNWNWIQVENNDJZ-HNNXBMFYSA-N	279.336	1.786	10	20	CDCD	
[N-]=[N+]=NCc1ccc(C(=O)NCCc2cnc[nH]2)o1	1537962901	IVBVJBXNFMRVSH-UHFFFAOYSA-N	260.257	1.786	10	20	CDCD	
CN1C[C@@H](NCc2ccc(N(C)C)c(F)c2)CC1=O	264982293	UWVNMMUZJMFCMU-NSHDSACASA-N	265.332	1.212	10	20	CDCD	
CCN1C(=O)/C(=C/c2cnnn2C)SC1=S	267469834	NUOHWCDVFKNXTL-DAXSKMNVSA-N	254.340	1.036	10	20	CDCD	
CCNC(=O)CN(CCOC)c1ccc(OC)c(OC)c1	269637214	NCIFEHFWTBIJIC-UHFFFAOYSA-N	296.367	1.293	10	20	CDCD	
OC[C@@H]1C[C@@H](O)CN1Cc1c(O)ccc(Cl)c1F	364867278	XDSKJWYLAXPBHQ-JGVFFNPUSA-N	275.707	1.112	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CC([C@H]2CCOC2)C1	366871883	RHBAHBNUCUELLV-VIFPVBQESA-N	263.293	1.206	10	20	CDCD	
C[C@H](NC[C@H](O)C1CCOCC1)c1ccc(F)cc1O	273345757	APUUPIOWNXCXLG-BONVTDFDSA-N	283.343	1.969	10	20	CDCD	
CCN(CCC(=O)OC)C(=O)/C=C/c1ccc(O)c(O)c1	272409006	IUOGIDLNNIBGFC-FNORWQNLSA-N	293.319	1.523	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@]23C[C@H]2CCCN3)cc1	1263092819	GHBWTHKERHOCRN-CJNGLKHVSA-N	273.380	1.511	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2CCC[C@H](O)C2)c1O	278200148	IVUZQQRUTOOXLO-JTQLQIEISA-N	282.296	1.266	10	20	CDCD	
Cc1cc(O)c(CN2CC[C@@H]3NC(=O)OC[C@H]3C2)cc1C	281349456	TYWAEEJEWYYFLH-KGLIPLIRSA-N	290.363	1.939	10	20	CDCD	
COC(=O)C[C@H]1COCCN1Cc1cc(F)ccc1O	377833429	DPQBICMILMCFQE-LBPRGKRZSA-N	283.299	1.295	10	20	CDCD	
CC(C)(C(=O)NCc1ccccc1O)N1CCOCC1	283144380	IYRCWUSUXPOFAU-UHFFFAOYSA-N	278.352	1.119	10	20	CDCD	
COc1cc(Cl)cc(CN2CC(=O)N(C3CC3)C2)c1O	280584153	WWTCTYKUWMTFIX-UHFFFAOYSA-N	296.754	1.818	10	20	CDCD	
CCn1ncnc1COC(=O)/C=C/c1ccc(O)c(O)c1	801291944	XCEBXIMXUJQHTF-GQCTYLIASA-N	289.291	1.466	10	20	CDCD	
C[C@@](O)(C(=O)NCCc1ccc(O)c(O)c1)C1CCC1	813489015	LNMMUALJPPKTLI-HNNXBMFYSA-N	279.336	1.308	10	20	CDCD	
CNCCN[C@H](C)c1cc(C(=O)OC)ccc1O	817954472	ZIJKSIANZCKBBU-SECBINFHSA-N	252.314	1.049	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)NC[C@@H]2CCCNC2)c1	817946013	PXYFITNLIQCGTC-VXGBXAGGSA-N	292.379	1.829	10	20	CDCD	
CN(C)CC1(C(=O)NCCc2ccc(O)c(O)c2)CC1	821061866	YYHJLWMHMKVSLU-UHFFFAOYSA-N	278.352	1.098	10	20	CDCD	
CCN(C)C(=O)[C@@H](NCc1cc(OC)ccc1O)C(C)C	824683506	MUGXYDRUTSLDOK-HNNXBMFYSA-N	294.395	1.993	10	20	CDCD	
O=C(NCC1(CO)CCC1)c1c(F)ccc(O)c1O	828348139	GKJHXXZLTKCHOC-UHFFFAOYSA-N	269.272	1.129	10	20	CDCD	
Cc1ccn(CC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)n1	828885123	VUVBDAGJFXQHOO-NSHDSACASA-N	289.335	1.350	10	20	CDCD	
COC(=O)c1cnc(SC[C@@H]2COCCO2)s1	829680863	GRYGKZAJTAUSSP-ZETCQYMHSA-N	275.351	1.437	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](C)N(C)C	821806709	GGOWRNJUIQJFFP-VHSXEESVSA-N	266.341	1.095	10	20	CDCD	
COc1cccc(CNC[C@H]2CCCN2CCCO)c1O	824559232	LLAGKBGLFDIPKG-CQSZACIVSA-N	294.395	1.337	10	20	CDCD	
O=C1CC[C@@H](C(=O)NCCCSc2nccs2)CN1	733972137	MFEKXLDAECAKBT-SECBINFHSA-N	299.421	1.268	10	20	CDCD	
C[C@H](CNC(=O)c1cc(O)cs1)CN1CCCC1	731870761	OQSFBOKMASLXMV-SNVBAGLBSA-N	268.382	1.915	10	20	CDCD	
CO[C@@H]1COC[C@H]1NCc1ccc(N(C)C)c(C)c1	830109042	BPVJGTYPWWNRDO-UKRRQHHQSA-N	264.369	1.564	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CCCN2C=O)c1	830541010	QXVPHOKRUHVMEQ-GXFFZTMASA-N	292.335	1.199	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)[C@@H](COC)OC	830145579	AQFZFHLFDJYOBO-CQSZACIVSA-N	281.352	1.792	10	20	CDCD	
O=C(COC1CCCC1)NCc1ccc(O)cc1O	910952153	QQSIHFHWKHNJBW-UHFFFAOYSA-N	265.309	1.673	10	20	CDCD	
CC[C@@H]1C[C@H]1CNC(=O)C(=O)Nc1ccc(N)cc1	841138295	VPNUEPSBWQIKLL-ZJUUUORDSA-N	261.325	1.370	10	20	CDCD	
COc1cccc([C@H](C)NC[C@@]2(C)CCC(=O)N2)c1O	846168252	IYMYYQBAPBLUST-ZUZCIYMTSA-N	278.352	1.720	10	20	CDCD	
CCC1(CC)CN(C(=O)C(=O)Nc2ccc(N)cc2)C1	841137796	YHLFZHOAVSVBBR-UHFFFAOYSA-N	275.352	1.856	10	20	CDCD	
CC(C)(CO)CCCNC(=O)NCCc1ccc(N)cc1	841834865	VTGGEFCOCLYOLT-UHFFFAOYSA-N	293.411	1.909	10	20	CDCD	
COc1cccc(CN(C[C@@H](C)O)C2CC2)c1O	848929250	UVEQOSCTQVBFNE-SNVBAGLBSA-N	251.326	1.746	10	20	CDCD	
Nc1ccc(CCNC(=O)N[C@H]2CCc3n[nH]cc3C2)cc1	841859603	DYWOZIWZMSSZGX-AWEZNQCLSA-N	299.378	1.391	10	20	CDCD	
C[C@@H](NC(=O)NCCC(=O)O)c1ccc(N(C)C)cc1	840989215	VDOAUWLWOSKRDE-SNVBAGLBSA-N	279.340	1.588	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)NC/C=C/CO)c1	850507451	GSIIEDCRKGWGMC-HMDXOVGESA-N	265.309	1.378	10	20	CDCD	
C[C@H](N)CN(C)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	861620746	LHLGPXDGEWQJSU-NWDGAFQWSA-N	278.400	1.802	10	20	CDCD	
C[C@H](NC(=O)Cc1nc[nH]n1)c1ccc(N(C)C)cc1	867504724	ZDNKAAWEKRQOBN-JTQLQIEISA-N	273.340	1.291	10	20	CDCD	
CCOc1ccc(CN2CCC(CC(N)=O)CC2)c(O)c1	768442402	UTFQFXNGTOAOKH-UHFFFAOYSA-N	292.379	1.878	10	20	CDCD	
CCOCCN(CC)Cc1cc2c(cc1O)OC[C@@H]2O	768450113	IDIXZHZGUNUVQA-AWEZNQCLSA-N	281.352	1.676	10	20	CDCD	
COc1cc(O)c(CN[C@@H](CO)CC(F)F)cc1OC	763521115	NPCXGSPILIBTKT-SECBINFHSA-N	291.294	1.515	10	20	CDCD	
COCCc1noc(CN(C)Cc2c(C)cccc2O)n1	876759047	JTNWYGGASOQXOA-UHFFFAOYSA-N	291.351	1.905	10	20	CDCD	
CC(C)CC[C@H](N)C(=O)NCCc1ccc(N)cc1	876528577	ZBHXOUOOMBCCBY-AWEZNQCLSA-N	263.385	1.691	10	20	CDCD	
CCC[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)OC	779544710	MYPFKPXNSGYINR-JYKYSHPRSA-N	293.319	1.569	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@H](C)C[C@@H](C)O)c1O	775055082	PMNTXJKIEVSFPH-RKDXNWHRSA-N	284.312	1.558	10	20	CDCD	
Cc1ccc(S(=O)(=O)N(C)Cc2ccccc2O)cn1	774888196	ULXKJJZOYOOIEB-UHFFFAOYSA-N	292.360	1.916	10	20	CDCD	
Cc1nnc([C@H](C)NC(=O)c2ccc(C)c(O)c2O)o1	780968892	LHKHFTQIYVPIFZ-ZETCQYMHSA-N	277.280	1.589	10	20	CDCD	
C[C@H](CCO)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	898448826	YCVCJNLAZFAXGC-CJNGLKHVSA-N	279.428	1.716	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NCc2cn(C)cn2)c1	898615274	IWDIVZADHWZPPO-UHFFFAOYSA-N	274.324	1.434	10	20	CDCD	
Cc1ccc(CN2[C@@H](C)[C@@H](C)NC(=O)[C@H]2C)c(O)c1	895123544	YMDXJKMWBXPYIQ-GRYCIOLGSA-N	262.353	1.798	10	20	CDCD	
O=C(O)C1CN(Cc2c(O)cccc2Br)C1	706673859	JOASEAFRPJWDSW-UHFFFAOYSA-N	286.125	1.671	10	20	CDCD	
O=C(O)c1cc(O)ccc1NS(=O)(=O)c1ccsc1	714326139	XRWFLDLQDWZORS-UHFFFAOYSA-N	299.329	1.953	10	20	CDCD	
C[C@H]1CCNC(=O)[C@H]1NCc1cc(Cl)cc(F)c1O	799737796	NDBPVHMOPQDUDG-CPCISQLKSA-N	286.734	1.799	10	20	CDCD	
CN(C)CCOc1ccc(N(C)Cc2cc[nH]n2)cc1	761223358	PSAAYSBWMYAGFO-UHFFFAOYSA-N	274.368	1.987	10	20	CDCD	
CCN(CC)c1ccc(CNCC[C@H](O)C(=O)O)cc1F	1331996920	WHIRGKLLTNTBNK-AWEZNQCLSA-N	298.358	1.597	10	20	CDCD	
Nc1ccc(CNC(=O)NCCCOC(F)F)cc1	1337015362	JRBIFCHOVNCPEO-UHFFFAOYSA-N	273.283	1.697	10	20	CDCD	
O=C(NCc1cccc(O)c1O)[C@@H]1CCn2ccnc2C1	1349079975	VEEXHXYDTCBHKO-SNVBAGLBSA-N	287.319	1.173	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)N[C@H]2CCOC2=O)c1	1346712964	WYJNZCRPYQNPHK-KCJUWKMLSA-N	294.307	1.077	10	20	CDCD	
C[C@@H](CNC(=O)C(=O)NCCc1ccc(N)cc1)C1CC1	1348580533	NETOUEWKQGFQGA-NSHDSACASA-N	289.379	1.090	10	20	CDCD	
CS(=O)(=O)CC1(CC(=O)NCc2ccc(N)cc2)CC1	1515333842	WWUUHMOUDDBGBP-UHFFFAOYSA-N	296.392	1.100	10	20	CDCD	
C[C@H](C(=O)O)N(C(=O)/C=C/c1ccc(O)c(O)c1)C1CC1	1602814159	GDYOYBOXNFNNOP-XKEGTWDPSA-N	291.303	1.575	10	20	CDCD	
CCN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@H](C)C(=O)O	1589711101	JZJACZXEFKKSLG-MRVPVSSYSA-N	292.295	1.784	10	20	CDCD	
CNC[C@H](C)N[C@H](C)c1cc(C(=O)O)ccc1O	1598665807	CFABVDUILUUYDH-DTWKUNHWSA-N	252.314	1.349	10	20	CDCD	
COc1ccc(CNC[C@]2(C(=O)O)CCOC2)cc1C	1599571194	AUTJIKNBKYBNAB-OAHLLOKOSA-N	279.336	1.585	10	20	CDCD	
CN1CCCC[C@H]1CNC(=O)c1cccc(O)c1O	126353263	KQDOPNIGLFAFCX-JTQLQIEISA-N	264.325	1.312	10	20	CDCD	
CCN(CCS(C)(=O)=O)Cc1c(C)cccc1O	876783773	MHPUXIFRVBGAHV-UHFFFAOYSA-N	271.382	1.567	10	20	CDCD	
C[C@H](NCCCOCCO)c1ccc(N(C)C)cc1	180242140	ISADAMCZSNOBQM-ZDUSSCGKSA-N	266.385	1.802	10	20	CDCD	
C[C@H]1CN(CCN(C)Cc2ccc(N)cc2)C[C@@H](C)O1	313788543	VYWZEKUDUPMQRT-OKILXGFUSA-N	277.412	1.810	10	20	CDCD	
CCc1cccc(CNC[C@@](C)(O)CCOC)c1O	691449555	UYNVDUVXPFESFA-HNNXBMFYSA-N	267.369	1.832	10	20	CDCD	
Nc1ccc(NC(=O)NC[C@H]2CCCC[C@@H]2O)cc1	841297298	DQRILJMQFFUPED-MFKMUULPSA-N	263.341	1.941	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)C1CSC1	866757508	WVWZCZLOLNKMLC-UHFFFAOYSA-N	253.323	1.120	10	20	CDCD	
COCCCCCNC(=O)Cc1ccc(N)cc1	226326903	JKLDEDAXBMJZQE-UHFFFAOYSA-N	250.342	1.744	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)CN(C)C)c1	104900662	UNYVYTGSXZUGTB-VIFPVBQESA-N	252.314	1.140	10	20	CDCD	
CN(C)c1ccc(CNC[C@H]2CN3CCC[C@@H]3CO2)cc1	112839702	MHUDNJVWODOPHY-SJORKVTESA-N	289.423	1.705	10	20	CDCD	
COc1ccc(O)c(CNC(=O)NC2CCN(C)CC2)c1	114582968	YXSZITLPTAICIE-UHFFFAOYSA-N	293.367	1.294	10	20	CDCD	
CCc1nn(C)cc1/C=C1\SC(=S)NC1=O	179723477	RKVGKLDOVMNBQP-YWEYNIOJSA-N	253.352	1.471	10	20	CDCD	
C[C@@H]1CN(C(=O)c2cccc(O)c2O)[C@H](C)CO1	126258692	PEHMQPPUCXUBQV-RKDXNWHRSA-N	251.282	1.347	10	20	CDCD	
CN(Cc1ccccc1O)C[C@@H](O)COC1CCOCC1	120766097	JUETXFZFYHBGMJ-CQSZACIVSA-N	295.379	1.381	10	20	CDCD	
CC(=O)NC[C@H]1CCCN(Cc2cc(F)ccc2O)C1	183249751	DNEXAOYXCXECHT-GFCCVEGCSA-N	280.343	1.879	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@]2(CCOC2)C1	180858753	BPVFEWZWFKAVMP-ICTCPBKTSA-N	289.331	1.750	10	20	CDCD	
NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	78931455	XZNYICFBWBJGKS-LLVKDONJSA-N	250.298	1.452	10	20	CDCD	
CC(C)COC[C@H](O)CN(C)Cc1ccccc1O	121144488	ASWLYEGEROAPGM-CQSZACIVSA-N	267.369	1.858	10	20	CDCD	
C[C@@H]1CCC[C@@H](NC=C2C(=O)N(C)C(=O)N(C)C2=O)[C@@H]1C	72680400	WMPBCYWNZXZHEZ-CKYFFXLPSA-N	293.367	1.335	10	20	CDCD	
CCOC(=O)c1cnc(SCC(=O)OC)s1	380959792	AGIKGJUSYOJROT-UHFFFAOYSA-N	261.324	1.585	10	20	CDCD	
COC[C@@H](NC(=O)c1cccc(O)c1O)[C@H]1CCCO1	279460522	MQDHWIRWFYENPF-ZYHUDNBSSA-N	281.308	1.022	10	20	CDCD	
CCNC(=O)[C@H](C)N[C@H](C)c1cc([N+](=O)[O-])ccc1O	273433948	WMVBLMSQFMATJV-BDAKNGLRSA-N	281.312	1.476	10	20	CDCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C[C@H](C)O	281884209	DFKCCUPVQNYURY-VIFPVBQESA-N	287.743	1.401	10	20	CDCD	
C[C@H](NCCCc1cnn(C)n1)c1cc(F)ccc1O	293864268	ZEDPFAZKWGIEJE-JTQLQIEISA-N	278.331	1.943	10	20	CDCD	
Cc1cnc(COC(=O)c2cccc(O)c2O)nc1	808538193	JVZUNNRNBLSXTQ-UHFFFAOYSA-N	260.249	1.553	10	20	CDCD	
CC[C@H](CO)N(C)C(=O)NCc1ccc(N(C)C)cc1	296255372	LIXTUPUDYUOPHH-CYBMUJFWSA-N	279.384	1.665	10	20	CDCD	
C[C@H](N[C@@H]1CCCN(CCCO)C1)c1ccccc1O	297346150	OUQLXCZNWANRJB-UONOGXRCSA-N	278.396	1.890	10	20	CDCD	
Cc1n[nH]cc1CNC(=O)NCc1ccc(N(C)C)cc1	298677877	VXIYTEZEEZOPSI-UHFFFAOYSA-N	287.367	1.784	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)[C@H](F)C(F)(F)F	815836014	NGMFARFXQZPVDC-QMMMGPOBSA-N	267.178	1.614	10	20	CDCD	
COc1ccc(CNC(=O)[C@H](C(C)C)[C@@H](C)N)c(O)c1	818000055	DURAFLFDANLFGS-QMTHXVAHSA-N	280.368	1.636	10	20	CDCD	
CCN(C)c1ccc(CN2CC[C@H](CC(N)=O)C2)cc1	815118326	NBEXYJBSWONQLI-CQSZACIVSA-N	275.396	1.840	10	20	CDCD	
O[C@H]1CCCN(Cc2ccc(N3CCOCC3)cc2)CC1	816667956	AOBIICZZWJQNEU-KRWDZBQOSA-N	290.407	1.870	10	20	CDCD	
CCCCC[C@@H](O)C(=O)NCc1ccccc1O	827288011	SHGGPCCXQSZMAG-CYBMUJFWSA-N	251.326	1.950	10	20	CDCD	
COc1ccc(N(C)CC[S@](C)=O)cc1OC	827490546	AYYUKFYHJVYORE-KRWDZBQOSA-N	257.355	1.519	10	20	CDCD	
NC(=O)[C@@H]1CC[C@H](NCc2c(O)ccc(Cl)c2F)C1	825278903	KVGVXNOGLHNWSR-SFYZADRCSA-N	286.734	1.928	10	20	CDCD	
COc1cc(CCC(=O)NCc2ccc(O)c(O)c2)on1	830558992	FTUQGMCHEMJNCF-UHFFFAOYSA-N	292.291	1.343	10	20	CDCD	
C[C@H](N)C[C@@H](C)NC(=O)NCc1ccc(N(C)C)cc1	831094977	TXIZXPMJBQJFRN-NWDGAFQWSA-N	278.400	1.678	10	20	CDCD	
C[C@H]1C(=O)CC[C@@H]1CC(=O)NCc1ccc(O)cc1O	910946178	KBKORKLJXZYNSC-NXEZZACHSA-N	277.320	1.719	10	20	CDCD	
Cc1noc(CN(C)Cc2cc(F)ccc2O)n1	848927698	LKUCMBIPGUULQH-UHFFFAOYSA-N	251.261	1.855	10	20	CDCD	
Cc1cc(O)c([C@H]2NC(=O)[C@@H]3CSCCN23)cc1Cl	849183731	VYYZHEOKBTVYSJ-JQWIXIFHSA-N	298.795	1.900	10	20	CDCD	
Nc1ccc(CN2CCS[C@H]3COCC[C@H]32)cc1	1334775357	XPBDCUXKHIBXNO-KGLIPLIRSA-N	264.394	1.975	10	20	CDCD	
C[C@H](CCCN)NC(=O)NCc1ccc(N(C)C)c(F)c1	841762027	UEHWXMBVLNJBNC-LLVKDONJSA-N	296.390	1.818	10	20	CDCD	
CN(C)CCCNC(=S)NCc1ccccc1O	748157572	MCBPBMCUXZUDCM-UHFFFAOYSA-N	267.398	1.308	10	20	CDCD	
COc1ccc(CNC(=O)[C@@H]2CCC(=O)C2)c(O)c1	843874129	FRYXWWJFASABCZ-SECBINFHSA-N	263.293	1.386	10	20	CDCD	
O=C(NCc1cc(Cl)ccc1O)NC[C@H]1COCO1	923844004	UFMNXXVMOJVSPS-JTQLQIEISA-N	286.715	1.218	10	20	CDCD	
Cc1cnn(CCN(C)c2ccc(OCC(=O)O)cc2)c1	846280462	WYEDRYCFSDZTQJ-UHFFFAOYSA-N	289.335	1.791	10	20	CDCD	
CS(=O)(=O)CCC(=O)NCc1cc(Cl)ccc1O	846660069	CPACMGRUHMBVAF-UHFFFAOYSA-N	291.756	1.097	10	20	CDCD	
C[C@@H](N)[C@@H]1CN(Cc2ccc(N(C)C)c(F)c2)CCO1	843058260	QMMRJZHJKNIAMV-ABAIWWIYSA-N	281.375	1.440	10	20	CDCD	
COc1ccc(CNC(=O)[C@H](C(=O)O)C(C)(C)C)c(O)c1	852942727	MGEUDGXSDLWZDY-GFCCVEGCSA-N	295.335	1.764	10	20	CDCD	
CNC[C@H](C)N[C@@H](C)c1cc(C(=O)OC)ccc1O	854232529	SDOLZRFNHIJQHK-UWVGGRQHSA-N	266.341	1.437	10	20	CDCD	
CC1=NO[C@H](C(=O)N(C)Cc2ccc(N(C)C)cc2)C1	854323549	CAXHULZFNJGAIB-AWEZNQCLSA-N	275.352	1.876	10	20	CDCD	
CCCCCS(=O)(=O)NCc1ccc(O)cc1O	867417233	OTSASJWCRJTCCL-UHFFFAOYSA-N	273.354	1.707	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)CCc2cnn(C)c2)c1	862758721	IPMHRFKFCBZZCF-UHFFFAOYSA-N	273.336	1.683	10	20	CDCD	
Cc1cccc(O)c1CN1CCC[C@@H](NC(=O)N(C)C)C1	877574358	HJYNSLJQCRCWHS-CYBMUJFWSA-N	291.395	1.936	10	20	CDCD	
Cc1cccc(O)c1CNC[C@@H]1CC(=O)N(C2CC2)C1	877613336	FMVLDLPMIUBCHY-LBPRGKRZSA-N	274.364	1.801	10	20	CDCD	
Cc1cccc(O)c1CN1CCC2(CC1)CNC(=O)O2	877459416	GKHABOIBJDPQRX-UHFFFAOYSA-N	276.336	1.775	10	20	CDCD	
CCCN(Cc1ccc(C)cc1O)[C@H]1CC(=O)N(C)C1=O	877503631	RRAPUHNURDWMKT-ZDUSSCGKSA-N	290.363	1.670	10	20	CDCD	
COCCCOCCC(=O)N(C)c1ccc(N)cc1	877074232	DBYMATNPZMHWDH-UHFFFAOYSA-N	266.341	1.675	10	20	CDCD	
COc1cccc(O)c1CN1CC[C@H](O)[C@H](C)C1	779199753	KVJLTWNMIZSBJH-PWSUYJOCSA-N	251.326	1.604	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC[C@H](O)CN2CCCC2)c1	775368804	GHTPJORSRMOWBH-OLZOCXBDSA-N	294.395	1.508	10	20	CDCD	
C[C@@H](NCC(=O)NCC(F)(F)F)c1c(O)cccc1F	886514508	RGEZADRXNSGSLR-SSDOTTSWSA-N	294.248	1.860	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N(C)[C@@H]2CCC[C@H]2O)cc1	887634193	IELKHDXTOQBVFD-HUUCEWRRSA-N	291.395	1.807	10	20	CDCD	
CON(C)C(=O)CNCc1cc(F)c(N(C)C)cc1F	895045736	ZAUBXALDRKADOZ-UHFFFAOYSA-N	287.310	1.140	10	20	CDCD	
COCc1noc([C@H](C)OC(=O)c2cc(O)cs2)n1	785318076	VAALEDZRIPOKLC-LURJTMIESA-N	284.293	1.901	10	20	CDCD	
CCN(CC)c1ccc(CN[C@@](C)(CO)C(=O)OC)cc1	894977599	YPURAKRFNLRODQ-INIZCTEOSA-N	294.395	1.546	10	20	CDCD	
COC[C@@H]1CN(Cc2cc(F)cc(F)c2O)C[C@H](C)O1	894531907	BFVQLMULHAPFGF-CABZTGNLSA-N	287.306	1.906	10	20	CDCD	
C[C@H](N[C@@H](CO)C1CCOCC1)c1ccccc1O	783533498	RHQFQKPEQHBUAS-FZMZJTMJSA-N	265.353	1.830	10	20	CDCD	
O=CN1CCCN(Cc2cc(F)cc(F)c2O)CC1	895355186	YPITVKNEMLHJIL-UHFFFAOYSA-N	270.279	1.335	10	20	CDCD	
COCc1cc(NCc2ccc(OC)cc2O)ncn1	795291860	GAHXEEWTZJEMIZ-UHFFFAOYSA-N	275.308	1.949	10	20	CDCD	
CN1CCN(c2ccc(CN3CC[C@@H](N)C3)cc2F)CC1	1326221721	JSODVDCJGBGDIP-CQSZACIVSA-N	292.402	1.111	10	20	CDCD	
O=C(O)[C@]1(O)CCN(Cc2ccc(Cl)cc2O)C1	1601723485	OVMVADAKCHGGFZ-LBPRGKRZSA-N	271.700	1.067	10	20	CDCD	
C[C@H](NC(=O)C(=O)N1CC[C@H]1C)c1ccc(N(C)C)cc1	1334307734	JANIZCVXVMZRFT-NEPJUHHUSA-N	289.379	1.551	10	20	CDCD	
CS(=O)(=O)[C@@H]1CCCCN(Cc2ccc(N)cc2)C1	1336284902	DNIGDNGOUWCRPR-CQSZACIVSA-N	282.409	1.668	10	20	CDCD	
C[C@@H](NC(=O)NCc1ccc(N)cc1)C1=CCN(C)CC1	1346405028	HHSHVSQEJFQSQP-GFCCVEGCSA-N	288.395	1.718	10	20	CDCD	
NCc1ccc2c(c1)CCCN2[C@H]1CCN(C2CC2)C1=O	1261491923	KTLVXFHLQGEMQE-INIZCTEOSA-N	285.391	1.661	10	20	CDCD	
OCC1CCN(CCN[C@H]2CCc3cccc(O)c32)CC1	1347934598	CVRJVTRFEQWPFZ-HNNXBMFYSA-N	290.407	1.673	10	20	CDCD	
CC(C)N(CC(=O)O)Cc1cc(F)c(F)cc1O	1603062472	HRYRCYVMIWNPFQ-UHFFFAOYSA-N	259.252	1.965	10	20	CDCD	
CCC[C@@H](O)CNCc1ccc(N2CCOCC2)cc1	134555299	UODHCCSBCQFOMI-MRXNPFEDSA-N	278.396	1.774	10	20	CDCD	
CCOc1ccc(N(C)CCCN2C(=O)CNC2=O)cc1	150727698	JNSKMBYWZGKZHZ-UHFFFAOYSA-N	291.351	1.463	10	20	CDCD	
CN(C)c1ccc(CNC(=O)C2(C(=O)O)CCC2)cc1	837301088	FWHXBOFMQWYJLF-UHFFFAOYSA-N	276.336	1.624	10	20	CDCD	
Cc1ccc(CN[C@H]2CCCS(=O)(=O)C2)c(O)c1	877056706	NIJXITUCEXMFEU-LBPRGKRZSA-N	269.366	1.367	10	20	CDCD	
CCNC(=O)C(C)(C)NCc1ccc(C)cc1O	877579660	XNBHAGLVXJSTEV-UHFFFAOYSA-N	250.342	1.705	10	20	CDCD	
Cn1cc(CCCNC(=O)Cc2ccc(N)cc2)cn1	155362639	BZHMLYZPHVWENF-UHFFFAOYSA-N	272.352	1.294	10	20	CDCD	
COc1cccc(CN2CCC[C@H](N(C)C)C2)c1O	156071718	MFISCGYBGUPEDU-ZDUSSCGKSA-N	264.369	1.927	10	20	CDCD	
CCN1CCC(NC(=O)Cc2ccc(N)cc2)CC1	38098284	MDWKKQKNVMDQSV-UHFFFAOYSA-N	261.369	1.412	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC[C@H]2COCCO2)c1	38060298	REUJDEVGAMGEQX-JQWIXIFHSA-N	267.325	1.467	10	20	CDCD	
CN(Cc1cc(Cl)ccc1O)[C@H]1CCNC1=O	770380048	LIQOKAARCMNUCG-JTQLQIEISA-N	254.717	1.366	10	20	CDCD	
CC(Cl)(Cl)C(=O)NCc1ccc(O)c(O)c1	182551365	XUZYBCLJCOHQDP-UHFFFAOYSA-N	264.108	1.908	10	20	CDCD	
CCN(CC(C)(C)O)C(=O)c1ccc(C)c(O)c1O	179534090	OJUUWYOBBPEOPD-UHFFFAOYSA-N	267.325	1.639	10	20	CDCD	
COC[C@H](O)CCN[C@@H](C)c1ccc(F)cc1O	186202604	DUPINUGIBDYCNZ-GXSJLCMTSA-N	257.305	1.579	10	20	CDCD	
CN(C[C@@H]1CCC[C@@H]1O)C(=O)/C=C/c1ccc(O)c(O)c1	181261621	DPCZHJUVPCRPNF-KELULYIISA-N	291.347	1.730	10	20	CDCD	
CC(C)N(C)S(=O)(=O)Nc1ccc(O)cc1F	85203949	ODCMBOVQVJLYEU-UHFFFAOYSA-N	262.306	1.528	10	20	CDCD	
CCCS(=O)(=O)NCc1ccc(N2CCOCC2)cc1	48959510	HRTLQKBBNNRQJQ-UHFFFAOYSA-N	298.408	1.353	10	20	CDCD	
COCCN(CC(=O)OC)Cc1ccc(N(C)C)cc1	93416102	BSIJYSAGHWPSHS-UHFFFAOYSA-N	280.368	1.374	10	20	CDCD	
C[C@@]1(C(N)=O)CCN(Cc2c(O)cccc2Cl)C1	235436422	WJNPLHBYKVMLBK-CYBMUJFWSA-N	268.744	1.743	10	20	CDCD	
NC(=O)[C@@H]1CCN(Cc2cccc(Cl)c2O)C1	183449661	IXRIONZOJFTGKB-SECBINFHSA-N	254.717	1.353	10	20	CDCD	
CCO[C@@H]1C[C@@H](NCc2cc(F)ccc2O)[C@@H]1OC	274847851	ATWGTJDAUXKUNH-BNOWGMLFSA-N	269.316	1.813	10	20	CDCD	
CN(C)c1ccc(CN2C(=O)[C@@H]3CCCN3C2=O)cc1F	272021142	ADQCUAQCQFCTBM-ZDUSSCGKSA-N	291.326	1.818	10	20	CDCD	
COc1cccc(CN2CC[S@](=O)[C@H](C)[C@H]2C)c1O	271189260	KWRVMLMRPMGUBG-BFKGZMGPSA-N	283.393	1.742	10	20	CDCD	
C[C@@H]1CN(Cc2cc3c(cc2O)OCO3)CC[S@](=O)C1	277564701	SDCZFIWAYYYFSV-SBKAZYGRSA-N	297.376	1.321	10	20	CDCD	
Cc1ccc(C(=O)N2CCOC[C@@H](C)C2)c(O)c1O	378560093	DMYKTZPTCMQVOW-VIFPVBQESA-N	265.309	1.515	10	20	CDCD	
CCN(CCN1CCNC1=O)c1ccc(OC)cc1	289667254	DBCLZAWYEWDLFJ-UHFFFAOYSA-N	263.341	1.547	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc(O)n1	803089629	DSZXZTJTIJCPTG-SECBINFHSA-N	288.303	1.559	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N2CCn3cncc3C2)cc1	290767469	KYZBSAYYPMSMTL-UHFFFAOYSA-N	299.378	1.675	10	20	CDCD	
COC(=O)c1cnc(SCC(=O)[C@H]2CCOC2)s1	295261806	IQKMPTVJJBWPHI-ZETCQYMHSA-N	287.362	1.627	10	20	CDCD	
C[C@@H](Cn1cncn1)NCc1ccc2c(c1)CCCN2C	727644640	NXVRZCVRDDTTOZ-ZDUSSCGKSA-N	285.395	1.839	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)/C=C2\SCC(=O)N2C)c1	824904448	OCDMCVHPLSAOGQ-NSIKDUERSA-N	292.360	1.363	10	20	CDCD	
C[C@H]1CN(Cc2cc(F)ccc2O)C[C@@]1(C)CO	827700243	QTMRAKFJFMXELJ-HZMBPMFUSA-N	253.317	1.982	10	20	CDCD	
CN1C(=O)NCC12CCN(Cc1cc(F)ccc1O)CC2	822529654	GUTFKZAOVBNVFX-UHFFFAOYSA-N	293.342	1.521	10	20	CDCD	
COC(=O)[C@H](C)CN(C)C(=O)c1cc(O)cs1	732269195	DTRCUWURRYZWBR-SSDOTTSWSA-N	257.311	1.335	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@H]2CCCCN2C)c1	734016140	BLURUAVNKMDZGY-CYBMUJFWSA-N	278.352	1.501	10	20	CDCD	
COc1cccc(O)c1CN(C)C1CCN(OC)CC1	835076841	WPPCLIXPZJMXBX-UHFFFAOYSA-N	280.368	1.858	10	20	CDCD	
Oc1ccccc1CNCC[C@]1(O)CCCOC1	846109913	KNSTYFUCPSGNOW-CQSZACIVSA-N	251.326	1.413	10	20	CDCD	
Cn1cc(C(=O)N2CCn3nccc32)c(-c2cccnc2)n1	671590885	DPTQGLXVEMSIAS-UHFFFAOYSA-N	294.318	1.339	10	20	CDCD	
CC(C)(C)N1CC[C@H](NC(=O)c2cc(O)cs2)C1=O	844148332	ZQPOLFVNPPDNLN-VIFPVBQESA-N	282.365	1.583	10	20	CDCD	
Nc1ccc(NC(=O)C(=O)N2CCC3(CCCC3)C2)cc1	841053882	PJRKMFYFKSLJDZ-UHFFFAOYSA-N	287.363	2.000	10	20	CDCD	
O=C(NC[C@@H]1CCC[C@H](O)C1)c1cc(O)cs1	748319631	FLSUFCQWBZZVFW-BDAKNGLRSA-N	255.339	1.735	10	20	CDCD	
CN(CCN1CCNCC1)Cc1cccc(Cl)c1O	843052904	OLJFMNPPZFNEAN-UHFFFAOYSA-N	283.803	1.383	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@]2(C)CCOC2)cc1F	754201469	QYCVGCOXWIZBOE-OAHLLOKOSA-N	280.343	1.935	10	20	CDCD	
CN(C)c1cc(F)c(CN[C@@H]2CC[C@H](C(N)=O)C2)cc1F	858174600	UZQHAOVOGLGDRI-GXSJLCMTSA-N	297.349	1.774	10	20	CDCD	
Cc1ccc(O)c(CN(C)CCNC(=O)N(C)C)c1	757865014	JZBXHMUBYQPVLP-UHFFFAOYSA-N	265.357	1.404	10	20	CDCD	
Cc1nc(COC(=O)/C=C\c2ccc(O)c(O)c2)no1	759593342	NJOPXMMZECMYSN-HYXAFXHYSA-N	276.248	1.546	10	20	CDCD	
Nc1ccc(CC(=O)NC[C@H]2CCCCCN2)cc1	1341560683	SJENLUVJCGLGPG-CQSZACIVSA-N	261.369	1.460	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)NCCOCCF	852714988	SLLLJJZHISPHTJ-UHFFFAOYSA-N	297.374	1.846	10	20	CDCD	
O=C(NCc1cc(Cl)ccc1O)[C@@H](O)C1CC1	855023433	YRIYLLXHGRTHRL-NSHDSACASA-N	255.701	1.433	10	20	CDCD	
C[C@@H](NC(=O)[C@@H]1CCOC(=O)N1)c1ccc(N(C)C)cc1	860951098	YLYLFYAQKFKJDC-MFKMUULPSA-N	291.351	1.428	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H](CC)NC(C)=O	935944203	NHJRQCLGBDLSSO-NSHDSACASA-N	299.367	1.409	10	20	CDCD	
COC(=O)NC1CN(Cc2cc(Cl)c(C)cc2O)C1	1118640713	PAADRZADFONDAL-UHFFFAOYSA-N	284.743	1.894	10	20	CDCD	
COC(=O)[C@H]1COCCN1Cc1ccc(C)cc1O	876727385	ZIKHPWORDJOZJB-GFCCVEGCSA-N	265.309	1.074	10	20	CDCD	
O=C(NCc1ccccc1O)C(=O)c1ccc(O)cc1	774065508	OGISXTMEPNGTIK-UHFFFAOYSA-N	271.272	1.597	10	20	CDCD	
CC(C)C[C@H](C)NC(=O)C(=O)N(C)Cc1ccccc1O	1117378483	AMFGULBCLVDXPO-LBPRGKRZSA-N	292.379	1.901	10	20	CDCD	
CCCCOCC(=O)OCC(=O)c1ccc(O)c(O)c1	783725361	VEXDNHHOKJOCHD-UHFFFAOYSA-N	282.292	1.640	10	20	CDCD	
COc1ccc(CNCCC[C@H](C)CO)c(O)c1OC	893266059	YJQSCJNXTVOJQY-NSHDSACASA-N	283.368	1.908	10	20	CDCD	
CC(C)NC(=O)CNCc1cc(F)cc(F)c1O	708441738	KULITVPWOPCCMC-UHFFFAOYSA-N	258.268	1.285	10	20	CDCD	
CCOC(=O)[C@@H](C)NCc1cc(F)cc(F)c1O	708440636	DDGFDYXNGGKKNT-SSDOTTSWSA-N	259.252	1.712	10	20	CDCD	
CN[C@H](C)CCNC(=O)NCc1ccc(OC)cc1O	1326134573	ZDVDXRYBGKINEP-SNVBAGLBSA-N	281.356	1.198	10	20	CDCD	
CC(C)(CCS(C)(=O)=O)NCc1ccc(N)cc1	1352788611	FOQBOEOZCLNKHJ-UHFFFAOYSA-N	270.398	1.572	10	20	CDCD	
C[C@@](Cn1cccn1)(NCc1cc(F)ccc1O)C(=O)O	1604244752	QAPUUCJGYRAZMJ-AWEZNQCLSA-N	293.298	1.361	10	20	CDCD	
COc1cc(Cl)cc(CN(C)[C@@H]2CCNC2)c1O	229103453	QHGMXRKPQKKSBQ-LLVKDONJSA-N	270.760	1.848	10	20	CDCD	
NCC1(CCNC(=O)NCc2cccc(Cl)c2O)CC1	1580244351	XSLLAFAMLNTNQX-UHFFFAOYSA-N	297.786	1.974	10	20	CDCD	
CC(C)OC(=O)COc1ccc(N(C)C)c(C(=O)O)c1	1591682263	IJQBRHXIRIRRBX-UHFFFAOYSA-N	281.308	1.781	10	20	CDCD	
CC[C@@H](NCC[C@H](C)O)c1cccc(-c2nn[nH]n2)c1O	1590470974	TVCGWORKKRCTFI-JOYOIKCWSA-N	291.355	1.384	10	20	CDCD	
Cc1cccc(NC(=S)NNc2nnc(C)c(O)n2)c1	11045993	NTOIMCKVTNABHP-UHFFFAOYSA-N	290.352	1.508	10	20	CDCD	
COc1cccc(CNS(=O)(=O)c2cccnc2)c1O	161115298	IVPQIOWWHIOGSO-UHFFFAOYSA-N	294.332	1.274	10	20	CDCD	
COc1ccc(N2CCN(Cc3nncs3)CC2)cc1	929153330	YNQSEORZWCUUJU-UHFFFAOYSA-N	290.392	1.869	10	20	CDCD	
Cc1cccc(O)c1CN[C@@H](C)CN1CCOCC1	892580805	NLAGIKLYDZGWSU-ZDUSSCGKSA-N	264.369	1.511	10	20	CDCD	
Cc1ccc(CN[C@@H](CO)C[C@@H]2CCCO2)c(O)c1	895749389	QSKIHHPCBGPFBR-KGLIPLIRSA-N	265.353	1.720	10	20	CDCD	
COc1cccc(CNC(=O)c2cscn2)c1O	105649627	FXLCKPICANFBCC-UHFFFAOYSA-N	264.306	1.787	10	20	CDCD	
Cn1cc(CC(=O)NCCCSc2nccs2)cn1	114375119	MQNDLLMVIQWDSP-UHFFFAOYSA-N	296.421	1.718	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2C(N)=O)c(O)c1O	179536932	KGLZLTOPKFAVIS-MWLCHTKSSA-N	292.335	1.180	10	20	CDCD	
COC(=O)NC1CCN(Cc2ccc(N)cc2)CC1	1356083359	NOAYERMUPDWYOO-UHFFFAOYSA-N	263.341	1.589	10	20	CDCD	
C[C@@H]1CCCN(C(=O)Cc2ccc(N)cc2)[C@H]1CN	237507292	OGNBILOKKYCIJL-RISCZKNCSA-N	261.369	1.397	10	20	CDCD	
CSC[C@H](C)NC(=O)/C=C/c1ccc(O)c(O)c1	181102917	QHXNTDUMGIPSTP-DNQSNQRASA-N	267.350	1.979	10	20	CDCD	
C[C@@H]1C[C@H]1CNC(=O)c1cc(NS(C)(=O)=O)ccc1O	49249460	PWTMHOWATNMLRC-BDAKNGLRSA-N	298.364	1.150	10	20	CDCD	
C[C@@H](N)CCC(=O)N1CCOc2cc(N(C)C)ccc21	193322970	AIJDLJHTBKKHME-LLVKDONJSA-N	277.368	1.605	10	20	CDCD	
CCNC(=O)CN(C)Cc1c(O)cccc1Cl	133182220	LQSYBLMZAATPCL-UHFFFAOYSA-N	256.733	1.614	10	20	CDCD	
CCOc1cccc(CNC[C@@H](C)CCO)c1O	97439600	HIMZIKDAWBDQQY-NSHDSACASA-N	253.342	1.899	10	20	CDCD	
CC(C)(CCS(C)(=O)=O)NC(=O)Cc1ccc(N)cc1	236591030	ZIMMIIMUJQVJER-UHFFFAOYSA-N	298.408	1.141	10	20	CDCD	
C[C@H](NC[C@]1(O)CCO[C@H]1C)c1ccc(F)c(F)c1O	278636940	DDLYCFSKWRCKGO-UINNMSKDSA-N	287.306	1.861	10	20	CDCD	
COC[C@H]1CN(Cc2cc3c(cc2O)OCO3)C[C@@H](C)O1	276023864	NQIFIMBRFFGDOC-ZYHUDNBSSA-N	295.335	1.357	10	20	CDCD	
CC(C)N1CCN(Cc2ccc(N(C)C)cc2)CC1=O	272549544	QXNRVOUIABLYCU-UHFFFAOYSA-N	275.396	1.805	10	20	CDCD	
COC[C@@]1(C)CCN(C(=O)c2c(F)ccc(O)c2O)C1	295306642	BKLDWFCHRBIKFJ-AWEZNQCLSA-N	283.299	1.736	10	20	CDCD	
Cc1ccc(C(=O)N(C)[C@H](C)C(C)(C)O)c(O)c1O	297064166	WLCHLHRCFCFGNJ-SECBINFHSA-N	267.325	1.638	10	20	CDCD	
CC(=O)NCC(=O)NCc1cc(Cl)cc(Cl)c1O	807838026	JITFMPMVWSHPPB-UHFFFAOYSA-N	291.134	1.451	10	20	CDCD	
C[C@@H]1CCC[C@@]1(O)CNC(=O)c1c(F)ccc(O)c1O	295626152	PMEBSGGSJICKJP-XLKFXECMSA-N	283.299	1.518	10	20	CDCD	
CN1CCN(C)[C@@H](CNCc2ccc3ccccc3c2O)C1	816549634	UMGLMBBUSRNOKK-INIZCTEOSA-N	299.418	1.881	10	20	CDCD	
Cc1cc(CN2CCn3ncnc3C2)ccc1N(C)C	815093848	ABGGGJSUZKEWDI-UHFFFAOYSA-N	271.368	1.668	10	20	CDCD	
Cc1ccnc([C@@H](C)NC(=O)c2ccc(C)c(O)c2O)n1	823711371	PZHSUMWRVOFSMI-SNVBAGLBSA-N	287.319	1.996	10	20	CDCD	
CNC(=O)CCCNCc1cc(Cl)c(C)cc1O	825156146	PDZXQNSDDMXCNB-UHFFFAOYSA-N	270.760	1.970	10	20	CDCD	
C[C@@H](NC(=O)[C@@H]1CC(=O)N(C2CC2)C1)c1ccccc1O	827923757	ZHCKRZSZWQAENL-GHMZBOCLSA-N	288.347	1.580	10	20	CDCD	
CCOC(=O)CN(CC(=O)OCC)Cc1ccccc1O	822512047	SSLNMJLNDKNNJG-UHFFFAOYSA-N	295.335	1.320	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N1CC[C@]2(CCOC2)C1	588404687	BPVFEWZWFKAVMP-OUMXJLHTSA-N	289.331	1.750	10	20	CDCD	
CC(C)(N)CNCc1cc(Br)ccc1O	841030480	ITMRRGACIZLGNJ-UHFFFAOYSA-N	273.174	1.982	10	20	CDCD	
COc1cccc(CNC(=O)[C@H](C)CC(=O)O)c1O	832553675	FWCXLHIKSVNGEW-MRVPVSSYSA-N	267.281	1.128	10	20	CDCD	
COc1ccc(O)c(CNC(=O)C(C)(C)NC(=O)O)c1	739933291	WBKBEYZZNGPJES-UHFFFAOYSA-N	282.296	1.063	10	20	CDCD	
CCN(CC)c1ccc(CN[C@H](COC)C(=O)O)cc1	901475954	AXNARQIMEQZQPN-CQSZACIVSA-N	280.368	1.722	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H]1CCC[C@H]1CCO	588531973	FFLYPUCKLZCSGH-XEBOPQQMSA-N	291.347	1.778	10	20	CDCD	
CC[C@@H](NC1(C(=O)NCCOC)CC1)c1ccccc1O	839193589	TWHGRBNRHHYNNJ-CYBMUJFWSA-N	292.379	1.728	10	20	CDCD	
CN1CCN(c2ccc(CN3CCC[C@H](N)C3)cc2)CC1	843043801	IAKSVQVMCJKYNI-INIZCTEOSA-N	288.439	1.362	10	20	CDCD	
O=C(N[C@H]1CCN(CC(F)F)C1)c1cccc(O)c1O	841473755	QEJDBVZLURDEJC-QMMMGPOBSA-N	286.278	1.167	10	20	CDCD	
COc1cc(Cl)cc(CNC[C@@H]2CNCCO2)c1O	841099710	WERVYSUPOZFITJ-NSHDSACASA-N	286.759	1.132	10	20	CDCD	
Oc1c(Cl)cccc1CN1CC(N2CC[C@@H](O)C2)C1	846067698	JAXZBSYXJSAKMZ-GFCCVEGCSA-N	282.771	1.296	10	20	CDCD	
CCS(=O)(=O)C1CN(Cc2cc(F)ccc2O)C1	841886325	MMIQCMSUESOVNO-UHFFFAOYSA-N	273.329	1.150	10	20	CDCD	
C[C@H](NC(=O)N1CC[C@@H](N)C1)c1ccc(N(C)C)cc1	841881611	AGOGXVOIGHIEPP-WCQYABFASA-N	276.384	1.556	10	20	CDCD	
CN(Cc1cc(C(C)(C)C)cc(O)c1O)[C@H]1CCNC1=O	758402115	SWMGQQMYNKATIC-LBPRGKRZSA-N	292.379	1.716	10	20	CDCD	
CO[C@H]1CCN(Cc2ccc(N(C)C)cc2)[C@H](C(=O)O)C1	851708262	SYMNDQQXWUTCQL-GJZGRUSLSA-N	292.379	1.817	10	20	CDCD	
Oc1cc2c(cc1CN(C1CC1)C1CC1)[C@H](O)CO2	863303211	WEHCXPWJXOPAMH-CQSZACIVSA-N	261.321	1.945	10	20	CDCD	
Nc1ccc(NC(=O)C(=O)N2CCC(F)(F)CC2)cc1	861516550	CJGCFTAMXHIELQ-UHFFFAOYSA-N	283.278	1.465	10	20	CDCD	
Cn1cnc(/C=C\C(=O)N2C[C@H](O)Cc3ccccc32)c1	935712759	CIIIQKMEQDYSGU-LMVHVUTASA-N	283.331	1.384	10	20	CDCD	
CN(Cc1cc2c(cc1O)OC[C@@H]2O)C[C@H]1CCOC1	768462701	BXVMTAOLFMAOIP-YGRLFVJLSA-N	279.336	1.286	10	20	CDCD	
C[C@H]1CC[C@H](C)N1CC(=O)NCc1ccccc1O	769365135	NGVMZBUNRDBKAJ-RYUDHWBXSA-N	262.353	1.881	10	20	CDCD	
CCc1cc(C(=O)NCc2cc(C)ccc2O)nn1C	1118887722	VYDFMRURADXKBE-UHFFFAOYSA-N	273.336	1.927	10	20	CDCD	
CCc1cccc(CN2CCC(C(=O)NOC)CC2)c1O	877786075	SUKJZEUYJATXLB-UHFFFAOYSA-N	292.379	1.844	10	20	CDCD	
COc1cc(O)c(CNCC2(O)CCC2)cc1OC	776175340	PVECLJSKFCVMHX-UHFFFAOYSA-N	267.325	1.414	10	20	CDCD	
CN1CCC(CCO)(NCc2cc(F)ccc2O)CC1	771180307	WFICVKUYQYSPSD-UHFFFAOYSA-N	282.359	1.468	10	20	CDCD	
O=[N+]([O-])c1ccc(O)c(CN[C@H]2CCn3ccnc3C2)c1	778190203	VTXWCQHTMVUYMK-NSHDSACASA-N	288.307	1.602	10	20	CDCD	
CC[C@H]1CN(Cc2cccc(OC)c2O)C[C@@H]1O	770378257	HAEKQPARSQDECP-JQWIXIFHSA-N	251.326	1.604	10	20	CDCD	
COc1cc(O)c(CN[C@H]2CCCN(C)C2=O)cc1OC	776231567	JSCFFWQBXLRBRY-NSHDSACASA-N	294.351	1.120	10	20	CDCD	
C[C@@H](NC[C@]1(C)CCC(=O)N1)c1c(O)cccc1F	886623653	JVAMENPPAOZSHF-OTYXRUKQSA-N	266.316	1.851	10	20	CDCD	
CCC(=O)N[C@H](C)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	773760891	MOIOHQVOQUSYCL-NXEZZACHSA-N	294.351	1.060	10	20	CDCD	
CC(C)N1C[C@@H](NCc2cc(F)cc(F)c2O)CC1=O	883016457	ZTTZHJVAPSHCPN-NSHDSACASA-N	284.306	1.769	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)[C@@H]1C[C@H]1c1ccncc1	1123901732	IWFMHDPMIBIISS-UONOGXRCSA-N	284.315	1.913	10	20	CDCD	
COc1cc(C)cc(CN2CC[C@H](O)[C@H](C)C2)c1O	894497618	NDUUCJSCLHQEPR-YPMHNXCESA-N	265.353	1.912	10	20	CDCD	
COC(=O)[C@@](C)(NC(=O)c1ccc(C)c(O)c1O)C1CC1	780945934	SMYSBTTYWPMZDJ-HNNXBMFYSA-N	293.319	1.478	10	20	CDCD	
COc1cc(C)cc(CNCC2(O)CCOCC2)c1O	894236481	UDHUATIUISYZBQ-UHFFFAOYSA-N	281.352	1.340	10	20	CDCD	
Cc1ccc(O)c(CNC[C@H]2CN3CCC[C@@H]3CO2)c1	78638620	MNKSUBBOFJJVEM-CABCVRRESA-N	276.380	1.653	10	20	CDCD	
CCO[C@@H]1COCC[C@H]1NCc1ccccc1O	686591898	CPIAJXLUGVXQAU-TZMCWYRMSA-N	251.326	1.676	10	20	CDCD	
CCO[C@@H]1C[C@@H]1C(=O)NCc1ccc(OC)cc1O	794380751	BERWIHRCNAWSRD-WCQYABFASA-N	265.309	1.442	10	20	CDCD	
O=C(c1cc(O)cs1)N(CCCO)Cc1ccccn1	796298002	WKUSKNSPMUCQNI-UHFFFAOYSA-N	292.360	1.874	10	20	CDCD	
CN(C)c1ccc(CNC[C@@H]2CCCCS2(=O)=O)cc1	694587973	FUFXVPZFIDHDMQ-HNNXBMFYSA-N	296.436	1.810	10	20	CDCD	
O=C(C[C@H]1CCCO1)NCc1cccc(O)c1O	1347233311	HWIAOIUOVRUVEX-SNVBAGLBSA-N	251.282	1.283	10	20	CDCD	
CNC1(C(=O)NCc2ccc3c(c2)CCCN3C)CCC1	1341584386	GRTGBBKSGLDWET-UHFFFAOYSA-N	287.407	1.827	10	20	CDCD	
CC[C@@H]1CN(C(=O)NCc2ccc(N)cc2)CC[C@H]1N	1262603849	XCUCKBQIJGLVFR-TZMCWYRMSA-N	276.384	1.538	10	20	CDCD	
O=C(O)c1ccccc1CNC(=O)c1cccc(O)c1O	1602470594	AQIFHNWXHJISRP-UHFFFAOYSA-N	287.271	1.726	10	20	CDCD	
Cc1cccc(CN2CC(n3cc(C(=O)O)nn3)C2)c1O	1600532842	XUMLQEHINZYPPA-UHFFFAOYSA-N	288.307	1.047	10	20	CDCD	
C[C@@H](NCC1(C)OCCO1)c1cc(C(=O)O)ccc1O	1609778185	MUZNAHZGWBYKBH-SECBINFHSA-N	281.308	1.504	10	20	CDCD	
C[C@H](NC[C@@H]1COCCN1C)c1cc(C(=O)O)ccc1O	1604339216	UTKLEMZTGLNZHM-CMPLNLGQSA-N	294.351	1.072	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)c1ccnc(C(=O)O)c1	1608469064	YFFUMBFMGRAMLR-UHFFFAOYSA-N	288.259	1.121	10	20	CDCD	
O=C(O)CC1CC(NC(=O)Cc2ccc(O)c(O)c2)C1	1601941792	RMVMKKUTRAVXAA-UHFFFAOYSA-N	279.292	1.010	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](C)C(=O)O	229337917	ZYFMYJOKKBESHQ-LLVKDONJSA-N	278.352	1.822	10	20	CDCD	
Cc1ccc(CN2CCO[C@]3(CCNC3)C2)c(O)c1	1579691836	JGEQAHQZWSITSW-HNNXBMFYSA-N	262.353	1.265	10	20	CDCD	
CN1CCC[C@H](Sc2ncc(C(=O)O)s2)C1=O	1598592399	DVLZUALLLKMSDJ-LURJTMIESA-N	272.351	1.554	10	20	CDCD	
COCC1(N[C@@H](C)c2cc(C(=O)O)ccc2O)CC1	1599200795	UOFGNXULLDWPGU-VIFPVBQESA-N	265.309	1.920	10	20	CDCD	
CCc1cccc(CN[C@@]2(CC(=O)O)CCOC2)c1O	1597586783	KEHOZWGJVCNRTQ-OAHLLOKOSA-N	279.336	1.678	10	20	CDCD	
O=C(O)CNC(=O)c1cc2cc(O)c(O)cc2s1	1595103525	VGGNILBXGYAFOR-UHFFFAOYSA-N	267.262	1.127	10	20	CDCD	
CO[C@H](CNCc1ccc(N(C)C)cc1)CC(=O)O	1777148123	MHBPFWXGWSJOOF-ZDUSSCGKSA-N	266.341	1.332	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)CCn2cccn2)c1	153923070	SFQPDVCCVSPVMZ-NSHDSACASA-N	289.335	1.865	10	20	CDCD	
CN(C)c1ccc(CNC(=O)Cn2cc(C3CC3)nn2)cc1	159016710	HEGIRDPTNPRRKZ-UHFFFAOYSA-N	299.378	1.538	10	20	CDCD	
Nc1ccc(CC(=O)NCCC2CCNCC2)cc1	846699150	HCKFXITWJXJRJU-UHFFFAOYSA-N	261.369	1.317	10	20	CDCD	
Cc1cccc(O)c1CNCC1(O)CCOCC1	877014524	FEKVOMWFHMBZEB-UHFFFAOYSA-N	251.326	1.332	10	20	CDCD	
COc1ccc(O)c(CN2C[C@@H]3CCC[C@H](N)[C@H]3C2)c1	252877060	WNWKOKDBTLKUQM-CQDKDKBSSA-N	276.380	1.960	10	20	CDCD	
COC(=O)[C@H](C)N1CCN(c2ccc(OC)cc2)CC1	49956581	YZKPUBQFZJDUNP-LBPRGKRZSA-N	278.352	1.379	10	20	CDCD	
C[C@@H](NCC1(CO)CCOCC1)c1cc(F)ccc1O	186150054	UUPXBBLPOMMHQH-LLVKDONJSA-N	283.343	1.971	10	20	CDCD	
CN1[C@H]2CC[C@H]1CC(NC(=O)Cc1ccc(N)cc1)C2	322577341	HBFAYQRIVNDVOT-GJZGRUSLSA-N	273.380	1.553	10	20	CDCD	
O=C(O)[C@H](NCc1cc(F)cc(F)c1O)C1CC1	708076616	YBRRUOBGZGMWQN-SNVBAGLBSA-N	257.236	1.623	10	20	CDCD	
Cc1cc(O)ccc1NS(=O)(=O)c1cncc(C#N)c1	380569654	UASIIVIZINNKJC-UHFFFAOYSA-N	289.316	1.768	10	20	CDCD	
Oc1cccc(Cl)c1CNC[C@H](O)COCC1CC1	113331578	MJGMVFUHUFDKHN-NSHDSACASA-N	285.771	1.923	10	20	CDCD	
CC[C@H](CO)NC(=O)NCc1ccc(N(C)C)c(F)c1	57646750	DWHFMRYXJGOFJP-LLVKDONJSA-N	283.347	1.462	10	20	CDCD	
COc1ccc(N(C)CC2(CO)COC2)cc1Cl	305088884	ZQLIFQMIAHEBKS-UHFFFAOYSA-N	271.744	1.794	10	20	CDCD	
COc1cccc(CNC(=O)Nc2ccon2)c1O	180503508	YMSQXKQMWXDWFW-UHFFFAOYSA-N	263.253	1.711	10	20	CDCD	
CCOC(=O)CCN(C)C(=O)c1cccc(O)c1O	126365990	LPSBLILTAXMUSL-UHFFFAOYSA-N	267.281	1.123	10	20	CDCD	
O=C(NC[C@@H]1CCCOC1)c1cccc(O)c1O	126358548	QSBIPUOONKAKIN-VIFPVBQESA-N	251.282	1.254	10	20	CDCD	
COc1cc(N2CCC[C@H](CO)C2)c([N+](=O)[O-])cc1OC	213617837	ZREPQQZEKKEYOK-JTQLQIEISA-N	296.323	1.821	10	20	CDCD	
O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1CCCN1	182348859	DCVIDDSIKHWALG-AWEZNQCLSA-N	274.364	1.639	10	20	CDCD	
COc1cc(Cl)cc(CN(C)Cc2nnc[nH]2)c1O	184696008	UJSLZOVVUVPORH-UHFFFAOYSA-N	282.731	1.804	10	20	CDCD	
CCOC(=O)[C@@H]1CNCCN1Cc1cc(C)ccc1O	88658258	UHGPNDPZZWLPJF-ZDUSSCGKSA-N	278.352	1.038	10	20	CDCD	
C[C@@H](O)CNC(=O)NCCCSc1nccs1	192526611	GNYQOSDIOHCWHE-MRVPVSSYSA-N	275.399	1.305	10	20	CDCD	
C[C@H](NC(=O)C(C)(C)C)C(=O)NCc1ccccc1O	299581739	RHWZAZJSFZPQTR-JTQLQIEISA-N	278.352	1.559	10	20	CDCD	
Cc1cc(C(=O)N[C@H]2CCOC2=O)c(C)n1-c1ccccn1	264806313	WFISJJCWOZHAMU-ZDUSSCGKSA-N	299.330	1.534	10	20	CDCD	
Nc1ccc(NC(=O)c2ccnc(N3CCCC3)n2)cc1	269130500	OFFUHJNBKUCGNI-UHFFFAOYSA-N	283.335	1.911	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1CCOCC1	273210021	SUHOQCFXOVQZNO-SNVBAGLBSA-N	279.336	1.572	10	20	CDCD	
C[C@@H]1NC(=O)N(Cc2ccc3c(c2)CCCN3C)C1=O	272450923	PEJGFEWVOXJBKM-JTQLQIEISA-N	273.336	1.509	10	20	CDCD	
OC[C@@H]1C[C@@H](O)CN1Cc1cc(Cl)cc(Cl)c1O	364326685	VLZBJIQRBMABSZ-VHSXEESVSA-N	292.162	1.627	10	20	CDCD	
Cc1ccc([C@@H](C)NCCOCCO)c(O)c1C	273445998	ZUXNKSXETOJNSW-GFCCVEGCSA-N	253.342	1.669	10	20	CDCD	
CCCCN(CC(=O)NC(=O)NC)Cc1ccccc1O	282469221	NQUVTAVQPXMUEZ-UHFFFAOYSA-N	293.367	1.450	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1C[C@@H](O)C1	635629622	WXCIHDDMDZPURD-KLPPZKSPSA-N	276.336	1.249	10	20	CDCD	
CC1(C)[C@H](O)C[C@H]1NC(=O)c1c(F)ccc(O)c1O	295759625	OUKXLSRVWAAJKI-RKDXNWHRSA-N	269.272	1.126	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)COC(C)C	808094437	OOZCAGXNRZCRMM-UHFFFAOYSA-N	272.341	1.919	10	20	CDCD	
CC[C@@H](NCCN1CCNCC1)c1cc(Cl)ccc1O	817944762	LKCNLIINWYQWPD-CQSZACIVSA-N	297.830	1.992	10	20	CDCD	
CC(=O)N[C@@H]1CCN(Cc2c(O)ccc3ccncc23)C1	817367265	GFJLZGFRBKNHLZ-CYBMUJFWSA-N	285.347	1.651	10	20	CDCD	
Cc1cc(CN2[C@H]3CC[C@H]2CC(=O)NC3)ccc1N(C)C	815057045	MFBGPHSVHVMLST-GJZGRUSLSA-N	287.407	1.914	10	20	CDCD	
OC[C@]12C[C@H]1CN(Cc1cc(Cl)c(F)cc1O)C2	816586870	WJAOLZOMDFXIHA-TVQRCGJNSA-N	271.719	1.999	10	20	CDCD	
C[C@H](NCc1ccc2c(c1)CCCN2C)C1CNC1	817900288	LXQFJASEBKOWKU-LBPRGKRZSA-N	259.397	1.767	10	20	CDCD	
COC[C@@]1(CN[C@@H](C)c2ccccc2O)CCCN1	817974392	LCSGZFOGZVXTQW-WFASDCNBSA-N	264.369	1.811	10	20	CDCD	
C[C@@H](NCCCc1cnn(C)n1)c1ccc(F)cc1O	815640343	VMATVCBUHBLANL-SNVBAGLBSA-N	278.331	1.943	10	20	CDCD	
Cc1ccc(C(=O)OCCCc2cnn(C)c2)c(O)c1O	727003837	IADYEALWOLGRHA-UHFFFAOYSA-N	290.319	1.929	10	20	CDCD	
Cc1cc(O)c(CN(CCO)CCCO)cc1Cl	824779370	WOEQKHHBKXHDEC-UHFFFAOYSA-N	273.760	1.531	10	20	CDCD	
C[C@@H](NC(=O)[C@H]1CC[C@@H]1C(N)=O)c1ccccc1O	827946864	TYLURIXSIUFJBN-MIMYLULJSA-N	262.309	1.081	10	20	CDCD	
O=C1NCC[C@H]1C(=O)NCc1ccc(N2CCCC2)cc1	821841824	GEAAPWQUBAUTMM-CQSZACIVSA-N	287.363	1.039	10	20	CDCD	
CN(C)c1ncccc1C(=O)NCc1ccccc1O	725895212	AJTFIUQOTMWBMV-UHFFFAOYSA-N	271.320	1.783	10	20	CDCD	
Cc1cc(O)c(CNCCOCCO)cc1Cl	825049224	DEAIVRSSLCHGLB-UHFFFAOYSA-N	259.733	1.453	10	20	CDCD	
CCc1noc(C(=O)N[C@@H](C)c2cc(OC)ccc2O)n1	902628498	WAMASVIWHISAMQ-QMMMGPOBSA-N	291.307	1.837	10	20	CDCD	
CN(C)c1ccc([C@@H](N)CNC(=O)[C@@H]2CCCO2)cc1	832266236	DLARDBHNPXOOLD-KBPBESRZSA-N	277.368	1.048	10	20	CDCD	
O=C(O)[C@H]1C[C@H]1C(=O)NCc1c(O)ccc2c1CCCC2	833178310	DYLDXXPDKQCDJI-NEPJUHHUSA-N	289.331	1.608	10	20	CDCD	
COC(=O)CCCN(C)C(=O)c1cc(O)cs1	732270742	HWUWEHOMDJWGOM-UHFFFAOYSA-N	257.311	1.479	10	20	CDCD	
COc1ccc(N2CC[C@@H](CNC(=O)CCCN)C2)cc1	831749139	ZKFGMBUBBWNBFT-ZDUSSCGKSA-N	291.395	1.377	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@@H](F)C1	836822026	XKMYGJAWCKELQW-XCRNYIDWSA-N	251.257	1.681	10	20	CDCD	
Cc1ccc(C(=O)O[C@H]2CCN(C(C)C)C2=O)c(O)c1O	746971024	HACQUHVEDBARQP-NSHDSACASA-N	293.319	1.572	10	20	CDCD	
CC(=O)N[C@H](C)C(=O)NCc1cc(Cl)ccc1O	846479067	IAIRVNMWXRCAMY-SSDOTTSWSA-N	270.716	1.186	10	20	CDCD	
CN1CCN(c2ccc(CNC[C@@H](N)C3CC3)cc2)CC1	841050141	PQWUGMDOQIQXMR-QGZVFWFLSA-N	288.439	1.265	10	20	CDCD	
NC[C@@H]1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2O)C1	843048842	ZXQLSMNKQHDLPZ-QMMMGPOBSA-N	285.731	1.734	10	20	CDCD	
COc1ccc(N2CCCN(CCOCCN)CC2)cc1	844221569	GKYBPZJQHGLEAQ-UHFFFAOYSA-N	293.411	1.183	10	20	CDCD	
COc1ccc(N2CCCN(CCCN)CC2)cc1	841008442	PMDCYIWFWXODPR-UHFFFAOYSA-N	263.385	1.556	10	20	CDCD	
CN(C)c1ccc([C@H](N)CNCCNC(C)(C)C)cc1	841040956	DEIUFVVZCOQQPI-OAHLLOKOSA-N	278.444	1.730	10	20	CDCD	
C[C@@H]1C[C@H](NC(=O)NCc2ccc(N(C)C)cc2)CCN1	841653997	LIYNATBJXSIMLP-TZMCWYRMSA-N	290.411	1.692	10	20	CDCD	
CSC[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(N)cc1	841070265	NMJHYXPCBCCNSP-LBPRGKRZSA-N	293.392	1.561	10	20	CDCD	
CCO/C=C/C(=O)N1CCN(c2ccc(OC)cc2)CC1	841005357	ORQQZLVTCDIYOF-MDWZMJQESA-N	290.363	1.894	10	20	CDCD	
CC(C)(C)NC(=O)[C@@H]1CCCN1C(=O)c1cc(O)cs1	928727282	KJSQOFSVTGXFIJ-JTQLQIEISA-N	296.392	1.973	10	20	CDCD	
COc1ccc(O)c(CNC[C@@H](C(=O)O)C2CCC2)c1	854248229	RHGRFLSCFPJVAZ-CYBMUJFWSA-N	279.336	1.991	10	20	CDCD	
CCN1CCOC[C@@H]1C(=O)NCc1cc(C)ccc1O	862758008	LOOQDZDYQMHSDI-CYBMUJFWSA-N	278.352	1.038	10	20	CDCD	
COc1ccc(O)c(CNC(=O)COC(F)(F)F)c1	934941548	FYUYZBNYVQMSGN-UHFFFAOYSA-N	279.214	1.553	10	20	CDCD	
COc1cccc(CNC(=O)[C@H](O)C(C)(C)C)c1O	765175995	HJHYOZXUEGTGDO-LBPRGKRZSA-N	267.325	1.424	10	20	CDCD	
CCN(CC)C(=O)CNC(=O)N[C@H](C)c1ccccc1O	868146892	LAMHOBKDHISHSE-LLVKDONJSA-N	293.367	1.621	10	20	CDCD	
CSCC[C@@H](NCc1ccc2c(c1)CCO2)C(=O)O	1116780352	ZPGJJEHBMHYPQL-GFCCVEGCSA-N	281.377	1.917	10	20	CDCD	
CCOC1CC(O)(CNCc2c(C)cccc2O)C1	877480382	TUYNGUFBOBNMPS-UHFFFAOYSA-N	265.353	1.720	10	20	CDCD	
CN1CCN(Cc2cc(F)c(N(C)C)cc2F)[C@H](CO)C1	877644913	VNGXBPFHQVVISM-LBPRGKRZSA-N	299.365	1.139	10	20	CDCD	
C[C@H]1CCN(Cc2ccc(N(C)C)c(F)c2)[C@H](C(N)=O)C1	779203381	BXYAXDVKFRSLKA-NHYWBVRUSA-N	293.386	1.978	10	20	CDCD	
COCC[C@]1(NCc2cccc(C)c2O)CCOC1	775202991	IJOZATLMOOUNNV-HNNXBMFYSA-N	265.353	1.986	10	20	CDCD	
C[C@H](NC(=O)N1CCC[C@H]1CO)c1ccc(N(C)C)cc1	776249800	RIYIQADQZOSYRL-WFASDCNBSA-N	291.395	1.980	10	20	CDCD	
C[C@@H](NCCCC(=O)NC(N)=O)c1ccc(N(C)C)cc1	775837493	TVLLUDNOBFBWMI-LLVKDONJSA-N	292.383	1.378	10	20	CDCD	
CCN(CC)c1ccc(CN[C@@H](CC(=O)O)C(=O)O)cc1	75423931	FIVBCQLPHBPIPF-ZDUSSCGKSA-N	294.351	1.550	10	20	CDCD	
COc1ccc(CNC(=O)[C@@H]2CCN2C(C)(C)C)c(O)c1	897628621	GIDQTBCRWKSSSD-ZDUSSCGKSA-N	292.379	1.890	10	20	CDCD	
CC[C@H](NCc1cc(C)cc(OC)c1O)[C@@H](C)O	894904461	INHPUEDAHWJXMB-PWSUYJOCSA-N	253.342	1.958	10	20	CDCD	
COc1ccc(O)c(CN2[C@@H](C)[C@@H](C)N(C)C(=O)[C@H]2C)c1	895922790	TVYXBXJQSMZHHC-GRYCIOLGSA-N	292.379	1.840	10	20	CDCD	
COc1cccc(CN2CC[C@@](C)(C(=O)O)C2)c1O	86779400	XGYHEZVKXVLHAZ-CQSZACIVSA-N	265.309	1.697	10	20	CDCD	
COc1cc(C)cc(CNC[C@H]2CCN2C)c1O	896596325	XJRKGMCOBMHEBA-GFCCVEGCSA-N	250.342	1.503	10	20	CDCD	
COc1cc(O)c(CN[C@H]2COC[C@@H]2C)cc1OC	896738092	YEZKPDIRXZYPTH-ONGXEEELSA-N	267.325	1.534	10	20	CDCD	
C[C@H](NCCCN(C)S(C)(=O)=O)c1ccccc1O	692407166	JQSAUNLZRWIFOK-NSHDSACASA-N	286.397	1.324	10	20	CDCD	
COc1cccc(O)c1CNC[C@@](C)(O)C1CC1	732668217	DAIURWIGAXUHIP-CQSZACIVSA-N	251.326	1.651	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CC1(N)CCC1	94294396	DTVILTZVXRDNAQ-UHFFFAOYSA-N	275.396	1.983	10	20	CDCD	
C[C@H](NC[C@@H]1CCS(=O)(=O)C1)c1cc(F)ccc1O	94617779	LWHQWTDZQCJYOM-UWVGGRQHSA-N	287.356	1.617	10	20	CDCD	
COCCC(=O)NCCCNCc1ccc(OC)c(C)c1	1154028267	FTVDDRGIXHMRAA-UHFFFAOYSA-N	294.395	1.636	10	20	CDCD	
COc1ccc(O)c(CN2CCC[C@H]2C(=O)N(C)C)c1	179637424	YWWVCKBMVLNCJZ-ZDUSSCGKSA-N	278.352	1.453	10	20	CDCD	
Cc1ccc(C(=O)NCCN2CC=CC2)c(O)c1O	1319952927	VSOGPNUHUAEDNM-UHFFFAOYSA-N	262.309	1.008	10	20	CDCD	
Nc1ccc(NC(=O)C(=O)N[C@H]2CCC[C@H](F)C2)cc1	1326504188	ZBDLDKROAONWRO-CABZTGNLSA-N	279.315	1.604	10	20	CDCD	
CO[C@@H]1CCN(C(=O)c2c(F)ccc(O)c2O)C[C@H]1C	1324597959	UIBHQFARUBCXAE-LDYMZIIASA-N	283.299	1.734	10	20	CDCD	
NC(=O)[C@H]1CCN(Cc2ccc(N3CCCC3)cc2)C1	1324701748	MKQFIPNADYEUGR-AWEZNQCLSA-N	273.380	1.594	10	20	CDCD	
C[C@H](c1nc(Cc2ccc(N)cc2)no1)S(C)(=O)=O	1332359900	PPTGYXUMWOCUDC-MRVPVSSYSA-N	281.337	1.348	10	20	CDCD	
CC(C)OC(=O)C(C)(C)NC(=O)c1cccc(O)c1O	1351916751	YQINWTZFBWVVST-UHFFFAOYSA-N	281.308	1.558	10	20	CDCD	
O=C(N[C@H]1CC[C@@H](C(=O)O)C1)c1c(F)ccc(O)c1O	1601570727	SPMHNAPVWQVZPF-RQJHMYQMSA-N	283.255	1.220	10	20	CDCD	
O=C(O)[C@H](C(=O)N1Cc2cccc(O)c2C1)C1CC1	1605893544	ZLGQEBZKGWOEAK-LBPRGKRZSA-N	261.277	1.345	10	20	CDCD	
O=C(O)Cn1cc(CSc2ncc(Cl)s2)nn1	1608797921	WSPMTVOCZFMFHS-UHFFFAOYSA-N	290.757	1.765	10	20	CDCD	
Cc1cccc(CN[C@@]2(CC(=O)O)CCCOC2)c1O	1610522356	YHEGDWYWFJAUAE-OAHLLOKOSA-N	279.336	1.814	10	20	CDCD	
NC(=O)c1ccc(/C=C\C(=O)NCc2ccc(N)cc2)o1	1580103100	QUDAGLYYCAZLEP-VURMDHGXSA-N	285.303	1.290	10	20	CDCD	
NCC[C@@H](NCc1ccc(F)c(F)c1O)C(F)F	1580284821	UCBUHEBZMAYCIA-MRVPVSSYSA-N	266.238	1.743	10	20	CDCD	
CCCN(C(=O)c1cccc(O)c1O)[C@H](C)C(=O)O	1595829987	HYNXBILUDIHXLK-MRVPVSSYSA-N	267.281	1.423	10	20	CDCD	
C[C@H](Nc1cnn(CCO)c1)c1cc(C(=O)O)ccc1O	1593374191	PSXUILCJUKCQBU-VIFPVBQESA-N	291.307	1.452	10	20	CDCD	
Cc1cccc(CNC[C@H]2CN(C)CCN2C)c1O	124817102	GROVLMBEKRFLSG-AWEZNQCLSA-N	263.385	1.036	10	20	CDCD	
C[C@@H]1C[C@@]1(CNCc1ccc(N(C)C)cc1)C(=O)O	1777409147	MZOZHUXJXZXFLN-ABAIWWIYSA-N	262.353	1.953	10	20	CDCD	
O=C(CC[C@@H]1CCCO1)NCc1ccc(O)c(O)c1	158881724	ILRVSPSAOPKCPK-NSHDSACASA-N	265.309	1.673	10	20	CDCD	
CC(C)Oc1ccc(N(C)CC2(CO)COC2)cc1	258965069	KTPZCLFZURTCCV-UHFFFAOYSA-N	265.353	1.919	10	20	CDCD	
COc1cccc(O)c1CN1CC[C@@H]([C@H](C)N)C1	843058455	SMLPCBGVLFIBFW-WDEREUQCSA-N	250.342	1.570	10	20	CDCD	
CC[C@H]1CN(Cc2cc(F)cc(C(C)=O)c2O)C[C@H]1O	270820440	BEJBPDCUUKRDHQ-IINYFYTJSA-N	281.327	1.937	10	20	CDCD	
C[C@@H](O)C[C@@H](C)CNC(=O)Cc1ccc(N)cc1	160567806	JPJOSUIZQIJYTB-GHMZBOCLSA-N	250.342	1.335	10	20	CDCD	
C[C@@H](CN1CCOCC1)NCc1ccc2c(c1)CCO2	37363149	CTXLQBWRVOTPGD-ZDUSSCGKSA-N	276.380	1.432	10	20	CDCD	
CN(Cc1cc2c(cc1O)OCO2)[C@@H]1CCCOC1	401614316	MEKGVKUVNPLFOT-LLVKDONJSA-N	265.309	1.732	10	20	CDCD	
Cn1ccc(CCNCc2cc(F)cc(F)c2O)n1	708495571	ZJISSAKHBYJDNU-UHFFFAOYSA-N	267.279	1.736	10	20	CDCD	
Nc1ccc(CNC(=O)[C@@H]2CC23CCOCC3)cc1	689997980	BNIRRWJCEAKVFN-ZDUSSCGKSA-N	260.337	1.702	10	20	CDCD	
CC(C)[C@H](CO)CNC(=O)c1cccc(O)c1O	394175934	KMHFRJRVAVMJBH-VIFPVBQESA-N	253.298	1.092	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)c1c[nH]nn1	170731796	FGWOESXQJYMEFI-UHFFFAOYSA-N	260.297	1.563	10	20	CDCD	
C[C@H](CN1CCN(C)CC1)N[C@H](C)c1cc(F)ccc1O	185393135	SOROEPVDTRXTOK-CHWSQXEVSA-N	295.402	1.818	10	20	CDCD	
CC1(C)CN(CCNC(=O)Cc2ccc(N)cc2)CCO1	178743947	YCMPBXVLJKIBDP-UHFFFAOYSA-N	291.395	1.038	10	20	CDCD	
CN(Cc1ccccc1O)c1ncc(S(N)(=O)=O)s1	302620374	GVRSPPOCVMHIDR-UHFFFAOYSA-N	299.377	1.133	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1COCCO1	47953933	ZKXNHCJPESEIIR-CQSZACIVSA-N	278.352	1.126	10	20	CDCD	
CCS(=O)(CC)=NC(=O)c1cccc(O)c1O	383568998	BUNAOQACOBQGQS-UHFFFAOYSA-N	257.311	1.746	10	20	CDCD	
CN(C)c1ccc(CNS(=O)(=O)N2CCCC2)cc1	248084270	DGKZNBQTPAFYFX-UHFFFAOYSA-N	283.397	1.183	10	20	CDCD	
COC[C@@H](O)CN[C@H](C)c1cc(Cl)ccc1O	273585227	NRPXBRLNWNMIOJ-SCZZXKLOSA-N	259.733	1.704	10	20	CDCD	
COC[C@H](CN[C@H](C)c1cc([N+](=O)[O-])ccc1O)OC	273423954	JWWCMUKNBGIESB-KOLCDFICSA-N	284.312	1.612	10	20	CDCD	
Cc1ccc(C(=O)NOC[C@H]2CCOC2)c(O)c1O	276410959	HYKPUMAXDKVSTC-VIFPVBQESA-N	267.281	1.104	10	20	CDCD	
Cc1cc(CC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)n[nH]1	273208474	SMIQQTCMBYUEFJ-SECBINFHSA-N	289.335	1.419	10	20	CDCD	
COc1cc(O)c(CN2CCO[C@@H]3C[C@H]32)cc1OC	368313847	WZQBEQAYIVZPHZ-ZYHUDNBSSA-N	265.309	1.383	10	20	CDCD	
COCC1(O)CCN(C(=O)c2ccc(C)c(O)c2O)CC1	272999177	OFYDIZRGAKMEFW-UHFFFAOYSA-N	295.335	1.020	10	20	CDCD	
CCOC(=O)C[C@@H](C)CNC(=O)NCc1ccccc1O	270456144	PMLJTAJMYUFRAP-LLVKDONJSA-N	294.351	1.781	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)[C@H]1CSCCS1	272330074	MHTQBZWVOANGAD-LLVKDONJSA-N	285.390	1.563	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@H]2C[C@]23CCNC3)cc1F	372445537	KEWCIIBDISKLES-LRDDRELGSA-N	291.370	1.508	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NCC2=CCCOC2)cc1	289014696	HQHKACBQYAVXBQ-UHFFFAOYSA-N	289.379	1.899	10	20	CDCD	
CC(=O)C(=O)COC(=O)CCC(=O)c1ccc(C)cc1	808483748	VLUDQGXQJOIXKL-UHFFFAOYSA-N	276.288	1.659	10	20	CDCD	
CC(C)OCC[C@@H](O)CNCc1ccc2c(c1)CCO2	818996526	HHWHULPUFXEVDU-OAHLLOKOSA-N	279.380	1.887	10	20	CDCD	
CC[C@H](NC[C@@H]1CNCCO1)c1ccc(F)cc1O	817983964	SQCUOYNFBBJWSI-AAEUAGOBSA-N	268.332	1.560	10	20	CDCD	
CC(C)[C@H](C(=O)NCCc1ccc(N)cc1)[C@@H](C)N	818545151	MBOWFKKEASZUPG-RISCZKNCSA-N	263.385	1.547	10	20	CDCD	
Cc1ccc(O)c(CN2C[C@H](C)N(CCO)[C@H](C)C2)c1	824926627	QCBYNCAIIFRRKK-OKILXGFUSA-N	278.396	1.588	10	20	CDCD	
C[C@@H](NC(=O)c1noc2c1COCC2)c1ccccc1O	827956309	JRXCWEQRGCOFKM-SECBINFHSA-N	288.303	1.944	10	20	CDCD	
CC(C)(C(=O)NCc1ccc(O)c(O)c1)N1CCCCC1	907059675	KPBFQAVCMTUHAG-UHFFFAOYSA-N	292.379	1.979	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2cnsn2)c1	734015685	WNUUSDFEXFPOAI-UHFFFAOYSA-N	265.294	1.182	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1ncc[nH]1	831925558	YVHDTIVXNWJOIY-SECBINFHSA-N	275.308	1.111	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN[C@]1(CC(=O)O)CCOC1	901835997	OVVDFAHTCOLSAT-INIZCTEOSA-N	292.379	1.784	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)CC(=O)O)cc1F	737847975	BEAVYEVYNKSWHE-UHFFFAOYSA-N	282.315	1.763	10	20	CDCD	
C[C@H](C(N)=O)N(C)c1ccc(/C=C\C(=O)O)cc1[N+](=O)[O-]	833407316	JPPFZJKPGGTENM-RZAAKKIOSA-N	293.279	1.003	10	20	CDCD	
CN1CC[C@@H](C(=O)NCCCSc2nccs2)C1	733975167	YISPUGUYDVMGRX-SNVBAGLBSA-N	285.438	1.693	10	20	CDCD	
Cc1ccc(C(=O)N[C@H](C(=O)O)C(C)(C)C)c(O)c1O	832913558	JDCWMZCFWUFJGZ-LLVKDONJSA-N	281.308	1.635	10	20	CDCD	
Cn1cncc1[C@@H]1C[C@H]1C(=O)NCc1ccc(O)c(O)c1	830554189	HPGWLPJNPCLNRI-GHMZBOCLSA-N	287.319	1.251	10	20	CDCD	
CCNCCNC(=O)NCc1ccc(N(CC)CC)cc1	841720622	XBXWEXURYDEUDZ-UHFFFAOYSA-N	292.427	1.942	10	20	CDCD	
COc1cc(O)c(CNC[C@@H](N)C(C)C)cc1OC	841029053	FACZFSPRAZDVEL-LLVKDONJSA-N	268.357	1.482	10	20	CDCD	
CCCN(C)CC(=O)NCc1ccc(O)cc1O	910956788	ZSFQJVONTQQOKU-UHFFFAOYSA-N	252.314	1.056	10	20	CDCD	
N[C@H]1CCC[C@@H](NCc2cc3c(cc2O)OCO3)C1	841056155	YNHZNXCAFIWQDB-WDEREUQCSA-N	264.325	1.480	10	20	CDCD	
CCN1C(=O)/C(=C\c2cn(C)nn2)SC1=S	741465330	UJUDUQLSDKXPAU-QPJJXVBHSA-N	254.340	1.036	10	20	CDCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NCc1cn(C)nn1	840976144	MJHAJHGSKDXIGR-CYBMUJFWSA-N	287.411	1.910	10	20	CDCD	
CS(=O)(=O)C1CN(Cc2cc(Cl)cc(F)c2O)C1	841886972	AZZAOZNLMCFVQV-UHFFFAOYSA-N	293.747	1.414	10	20	CDCD	
COc1ccc(N(C)CCN(C)C(=O)C(C)(C)CO)cc1	848242964	CNHXABXUJJMDFZ-UHFFFAOYSA-N	294.395	1.608	10	20	CDCD	
COc1cccc(O)c1CN[C@@H](CCN)C(F)F	841074858	RWORIXOLKJZEAL-VIFPVBQESA-N	260.284	1.473	10	20	CDCD	
CN(C)c1ccc([C@@H](N)CNCc2ccncc2)cc1	841043689	QCJJRUKVRMUEFQ-INIZCTEOSA-N	270.380	1.937	10	20	CDCD	
Cc1cccc(CN[C@H](CO)[C@@H]2CCCOC2)c1O	840963821	QHYSRKFOWXHTSU-ZIAGYGMSSA-N	265.353	1.578	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNCC1(CO)CCOCC1	840937669	VYASGZDPABPLLS-UHFFFAOYSA-N	292.423	1.940	10	20	CDCD	
Cc1ccc(O)c(CNCc2cnc(N(C)C)nc2)c1	858238097	ULTVVUYKAUXJMW-UHFFFAOYSA-N	272.352	1.846	10	20	CDCD	
Cc1ccc(C(=O)NCCOCCF)c(O)c1O	856473990	UTVOQYAXHMRXCK-UHFFFAOYSA-N	257.261	1.122	10	20	CDCD	
C[C@@H](N[C@@H](CO)C1CCOCC1)c1ccc(F)cc1O	757656560	BKUJBOSCIYABTK-YGRLFVJLSA-N	283.343	1.969	10	20	CDCD	
COc1ccc(O)c([C@@H](C)Nc2cnn(CCO)c2)c1	756855038	KLARCEJGHRGJCL-SNVBAGLBSA-N	277.324	1.763	10	20	CDCD	
Cc1nc(COC(=O)/C=C/c2ccc(O)c(O)c2)no1	759593339	NJOPXMMZECMYSN-HWKANZROSA-N	276.248	1.546	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)c1cccc2c[nH]nc12	768899740	OOFYOWGWQVKOIO-UHFFFAOYSA-N	297.314	1.947	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)c2cn(C(C)(C)C)nn2)c1	862757111	HTYQFXIBPBEMAY-UHFFFAOYSA-N	288.351	1.977	10	20	CDCD	
CN(CCNC(=O)c1cc(O)cs1)CC(F)F	863809265	XMDQZSBBXAIRCZ-UHFFFAOYSA-N	264.297	1.380	10	20	CDCD	
C[C@H]1C(=O)N(Cc2ccc3c(c2)CCCN3C)C(=O)N1C	761182045	WGDPTKPJEGTGGH-NSHDSACASA-N	287.363	1.852	10	20	CDCD	
C[C@H](NC(=O)[C@H]1CCOC(=O)N1)c1ccc(N(C)C)cc1	860951097	YLYLFYAQKFKJDC-GXFFZTMASA-N	291.351	1.428	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)C(C)(C)NC(C)=O)c1	761981792	IITOKBVWSNFAON-VIFPVBQESA-N	294.351	1.493	10	20	CDCD	
C[C@H](N=c1ncnc2[nH]n(C)cc1-2)c1ccc(N(C)C)cc1	773898928	GUMAYAHKYWQJFE-NSHDSACASA-N	296.378	1.976	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNCCN2CCC2)c1O	775036932	HODRJVRFWONYQW-UHFFFAOYSA-N	281.312	1.104	10	20	CDCD	
CCS(=O)(=O)NCCCNCc1c(C)cccc1O	876991765	ULBJHZVJZMYLLV-UHFFFAOYSA-N	286.397	1.120	10	20	CDCD	
CNS(=O)(=O)C[C@@H]1CCCN1Cc1cccc(C)c1O	775734441	PPEPNFBVOMHKQD-ZDUSSCGKSA-N	298.408	1.214	10	20	CDCD	
Cc1ccc(CN2CC(=O)N(CC3CC3)C2)c(O)c1	877490278	VGTBEUCPGXFJFO-UHFFFAOYSA-N	260.337	1.712	10	20	CDCD	
CN(CCc1cnccn1)C(=O)c1cc(O)cs1	771417792	SSKGNAHOBAVORP-UHFFFAOYSA-N	263.322	1.558	10	20	CDCD	
COCCCOCCN(C)C(=O)c1cc(O)cs1	774404870	MTGSWUISYDCCEU-UHFFFAOYSA-N	273.354	1.579	10	20	CDCD	
O=C(O)CN1C(=O)/C(=C\c2ccc(F)nc2)SC1=S	777884125	JTJFFSWVQCNEQC-XVNBXDOJSA-N	298.320	1.507	10	20	CDCD	
C[C@@H](NCc1nnn(C)n1)c1cc(Cl)ccc1O	787042623	PACHTZQQDRHKNW-SSDOTTSWSA-N	267.720	1.420	10	20	CDCD	
Cc1ccc(C(=O)NC[C@H](O)c2cccnc2)c(O)c1O	780985406	DHWFWCUYHLOLTJ-LBPRGKRZSA-N	288.303	1.265	10	20	CDCD	
CC[C@H](NC[C@H](O)CN(C)C)c1ccc(C)cc1O	794811682	XWCBFVLPBUYHAS-JSGCOSHPSA-N	266.385	1.664	10	20	CDCD	
COC[C@@H](NC(=O)c1cccc(O)c1O)C1CC1	193145021	WIJPFBHEXMDXTP-SNVBAGLBSA-N	251.282	1.253	10	20	CDCD	
CO[C@@H]1CCN(C(=O)c2c(F)ccc(O)c2O)C[C@@H]1C	1324597956	UIBHQFARUBCXAE-GZMMTYOYSA-N	283.299	1.734	10	20	CDCD	
COc1ccc(CNCCCn2cncn2)c(O)c1OC	1334949591	CQGWHUIUPQCWEF-UHFFFAOYSA-N	292.339	1.181	10	20	CDCD	
C[C@H](CN1CCCC1=O)NC(=O)NCc1ccc(N)cc1	1346236854	LFEYIGSLZSSGOZ-LLVKDONJSA-N	290.367	1.079	10	20	CDCD	
Nc1ccc(CNC(=O)N2CCc3c[nH]nc3C2)cc1	1353540404	UHZOBPRNANPSHM-UHFFFAOYSA-N	271.324	1.260	10	20	CDCD	
CC1(C)OC[C@@H](CNC(=O)NCc2ccc(N)cc2)O1	1357337199	MXIQYNYLWUASPO-GFCCVEGCSA-N	279.340	1.220	10	20	CDCD	
O=C(O)[C@H]1C[C@@H](NCc2ccc(F)c(F)c2O)C1	1606458517	AAZMZCMPVYMYHN-OCAPTIKFSA-N	257.236	1.623	10	20	CDCD	
Cc1cc(CCNC(=O)CON)c(C)n1-c1ccccc1	1579593314	ZUNOEDSFBNFVGW-UHFFFAOYSA-N	287.363	1.643	10	20	CDCD	
CN(Cc1cnc(N)cn1)c1ccc(OCC(=O)O)cc1	1598532867	JKAKJZBQUHRUSP-UHFFFAOYSA-N	288.307	1.159	10	20	CDCD	
CN(C)CCn1ccc(NC(=O)Cc2ccc(N)cc2)n1	166727818	LZCCYSGUKIWVLK-UHFFFAOYSA-N	287.367	1.208	10	20	CDCD	
O[C@]1(CNCc2ccc3c(c2)CCCO3)CCSC1	921809511	HMAXTVREGRMKAE-HNNXBMFYSA-N	279.405	1.969	10	20	CDCD	
CC(C)(C)[C@@H](C(=O)O)C(=O)NCc1ccccc1O	852941919	COOJPUDVRGYHHP-LLVKDONJSA-N	265.309	1.755	10	20	CDCD	
Cc1ccc(CNCC2(CO)CCOCC2)c(O)c1	877116543	PWMOCDBXVIWHPR-UHFFFAOYSA-N	265.353	1.579	10	20	CDCD	
CCN(C)C(=O)[C@H](C)NCc1ccc(C)cc1O	877469423	VCQYTKBZZGHPKN-NSHDSACASA-N	250.342	1.657	10	20	CDCD	
C[C@H](CCCCO)NCc1cc2c(cc1O)OCO2	295125197	XEDRHIGHBQKXAJ-SNVBAGLBSA-N	267.325	1.762	10	20	CDCD	
CCn1cc(CN[C@H](C)c2cc(F)ccc2O)nn1	404475127	PZKNKKNXQQFWRO-SECBINFHSA-N	264.304	1.994	10	20	CDCD	
COc1ccc(O)c(CN2CC[C@@H](C(=O)O)[C@@H](C)C2)c1	312712739	TUULICXOGFSAKI-GXFFZTMASA-N	279.336	1.943	10	20	CDCD	
C[C@@H]1CCN(C(=O)Nc2ccc(N)cc2)C[C@@H]1CO	700379793	XIBWPFOVXILDJH-GHMZBOCLSA-N	263.341	1.751	10	20	CDCD	
COC[C@](C)(O)CN[C@H]1CCc2cccc(O)c21	382568230	OXWZXBQWGHHBON-SMDDNHRTSA-N	251.326	1.367	10	20	CDCD	
CC[C@H](NCc1ccc(N2CCOCC2)cc1)[C@H](C)O	386694452	LDUDWAKFFOJHOK-BBRMVZONSA-N	278.396	1.772	10	20	CDCD	
CC(C)NC(=O)NCc1ccc(N2CCOCC2)c(F)c1	55329264	HTZLMVWKSQJHHE-UHFFFAOYSA-N	295.358	1.870	10	20	CDCD	
CCS(=O)(=O)NC1CCN(c2ccc(OC)cc2)CC1	102414332	GAJGQIHUYNJFBL-UHFFFAOYSA-N	298.408	1.603	10	20	CDCD	
COc1cccc(CNC(=O)c2cnn(C)c2)c1O	170795747	RATMSLGBAUXKKU-UHFFFAOYSA-N	261.281	1.064	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)[C@@H]2CCNC2)cc1	178712668	LYABVTJXENYZJD-CQSZACIVSA-N	275.396	1.759	10	20	CDCD	
CC(C)COC[C@@H](O)CN(C)c1ccc2c(c1)OCO2	121253489	XCDSJVYSWVCOFZ-ZDUSSCGKSA-N	281.352	1.885	10	20	CDCD	
Cc1nsc(NC(=O)c2cccc(O)c2O)n1	126563271	QVJODNPQYYEURK-UHFFFAOYSA-N	251.267	1.510	10	20	CDCD	
CCN(CCO)CCNCc1cc(C)ccc1O	184542326	IWCDXBUGMGQWDZ-UHFFFAOYSA-N	252.358	1.104	10	20	CDCD	
Cc1ccc(O)c([C@H](C)N[C@H](C)C(=O)N(C)C)c1	36794392	ABBNFGIPYQAQHJ-WDEREUQCSA-N	250.342	1.828	10	20	CDCD	
Oc1ccc(Br)cc1CN[C@@H]1CC[C@H]1O	378713789	WMYPEUMBSUTLIZ-MWLCHTKSSA-N	272.142	1.768	10	20	CDCD	
CO[C@H](C)CS(=O)(=O)Nc1ccc(O)cc1F	193340146	HABOZKIUTKTBIW-SSDOTTSWSA-N	263.290	1.308	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NC[C@@H]2CCOC2)cc1	42309539	PPQGMQNSGXCVMX-ZDUSSCGKSA-N	277.368	1.588	10	20	CDCD	
COc1ccc(O)c([C@H](C)N[C@@H]2CCCNC2=O)c1	50394277	XNLKMBWUAPFTLI-JOYOIKCWSA-N	264.325	1.330	10	20	CDCD	
CN(C)c1cc(C(=O)NCCc2ccc(N)cc2)ccn1	269150844	QCZJNRNTBGTVEE-UHFFFAOYSA-N	284.363	1.702	10	20	CDCD	
C[C@H](N[C@H]1CC(=O)N(C)C1)c1cc([N+](=O)[O-])ccc1O	273596440	QUWWAZKRBJKKTG-IUCAKERBSA-N	279.296	1.182	10	20	CDCD	
CS[C@H](CO)[C@@H](C)NC(=O)c1ccc(C)c(O)c1O	272739109	LRUSQWNQMLMNMG-PSASIEDQSA-N	285.365	1.248	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@]1(C)CCCOC1	274898856	FSPAHPLROADKSY-ZBEGNZNMSA-N	293.363	1.962	10	20	CDCD	
C[C@@H](NCCn1ccnc1)c1cc([N+](=O)[O-])ccc1O	273407045	OQSMHVNPVQJWRD-SNVBAGLBSA-N	276.296	1.848	10	20	CDCD	
CC(C)[C@@H](O)C(=O)NCc1ccc(N2CCCC2)cc1	285198159	OXIOKCYJYQLIMC-OAHLLOKOSA-N	276.380	1.920	10	20	CDCD	
Oc1cc2c(cc1CN1CC[C@@](O)(C3CC3)C1)OCO2	373321466	SKCVRAKEGMQGTI-HNNXBMFYSA-N	277.320	1.468	10	20	CDCD	
COc1ccc(CNCCN2CCCOCC2)cc1C	289452766	NLCPQPRSZWEFDG-UHFFFAOYSA-N	278.396	1.816	10	20	CDCD	
CCn1nc(C)c(CN(C)c2ccc3c(c2)OCO3)n1	294944776	CXXLTMXORLCBCW-UHFFFAOYSA-N	274.324	1.972	10	20	CDCD	
CCC(=O)N1CCCC[C@@H]1C(=O)NCc1ccc(N)cc1	297166513	KBQVWFUEDFWDGD-CQSZACIVSA-N	289.379	1.676	10	20	CDCD	
CC[C@H](NC[C@H]1CNCCO1)c1ccc(N(C)C)cc1	817982328	CFRUJTMRIBTRSQ-CVEARBPZSA-N	277.412	1.782	10	20	CDCD	
CCOc1ccc(CN2CCO[C@@H](C(=O)O)C2)c(O)c1	820386994	IFTRCLPXOCRVJR-CYBMUJFWSA-N	281.308	1.076	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H](C(=O)O)C(C)C)c(O)c1O	821064105	SKJNFLLLFITPNJ-SECBINFHSA-N	267.281	1.245	10	20	CDCD	
COc1ncc(/C=C\C(=O)N(C)c2ncccc2C)cn1	491961021	IONRHLAXUMCTTR-SREVYHEPSA-N	284.319	1.865	10	20	CDCD	
COC[C@]1(C(=O)O)CCCN(Cc2ccccc2O)C1	901865572	QCFYGXJQELXXRB-HNNXBMFYSA-N	279.336	1.705	10	20	CDCD	
O=C(N[C@@H](C1CC1)[C@@H](CO)C1CC1)c1cccc(O)c1O	834009092	DSDUDSPQXCYKGA-JSGCOSHPSA-N	291.347	1.625	10	20	CDCD	
CN(C)c1ccc([C@@H](N)CNC(=O)C2CC(F)(F)C2)cc1	832265830	AAPXDQYYTKISQF-ZDUSSCGKSA-N	297.349	1.914	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)C1SCCS1	910950498	WIHUHYAYUKPZFS-UHFFFAOYSA-N	271.363	1.520	10	20	CDCD	
Oc1cccc2c1[C@H](NCc1nnnn1CC1CC1)CC2	834770747	XJGLFFMMZQCSIK-GFCCVEGCSA-N	285.351	1.566	10	20	CDCD	
CN(Cc1noc(C2CC2)n1)C(=O)c1cc(O)cs1	839931438	KMZWLJGGXNUKAI-UHFFFAOYSA-N	279.321	1.986	10	20	CDCD	
COc1ccc(CNC(=O)[C@@H](C)[C@@H](C)N)c(O)c1	832178804	XJZGPYNBXTZVPG-DTWKUNHWSA-N	252.314	1.000	10	20	CDCD	
CCN(C(=O)c1cc(O)cs1)c1cnn(C)c1	848391285	BWIYCYZBUAGHCT-UHFFFAOYSA-N	251.311	1.854	10	20	CDCD	
COCCCCC(=O)N(CC(=O)O)Cc1ccccc1O	911487882	XZVQSODMTBQQTJ-UHFFFAOYSA-N	295.335	1.622	10	20	CDCD	
CC[C@H]1CN(C)CCCN1C(=O)c1ccc(C)c(O)c1O	846989749	UCXQBKHUOLFQJE-LBPRGKRZSA-N	292.379	1.963	10	20	CDCD	
CCN(C)c1ccc(CN2CCC[C@H]2C(=O)NC)cc1	741754085	IHLOAIAQAVVNFN-HNNXBMFYSA-N	275.396	1.853	10	20	CDCD	
CN(C)c1ccc(CN[C@H](CN)C2CC2)cc1F	841027680	FFYSJLCFDRLRFF-CYBMUJFWSA-N	251.349	1.719	10	20	CDCD	
CCOc1cccc(CN[C@@H](CO)[C@H]2CCCOC2)c1O	840962918	OCBPDFGRTGUZED-KBPBESRZSA-N	295.379	1.668	10	20	CDCD	
C[C@@H](NCCN1CC[C@H](O)C1)c1cc(Cl)ccc1O	858601362	FRCKROOACIRWLX-PWSUYJOCSA-N	284.787	1.763	10	20	CDCD	
CC1(C)CCCN1CCNC(=O)c1c(F)ccc(O)c1O	857283029	NXKWLOHBIYEVLN-UHFFFAOYSA-N	296.342	1.841	10	20	CDCD	
CC(C)CC(=O)COC(=O)c1cccc(O)c1O	758573997	XUBJRXLTVZJQHP-UHFFFAOYSA-N	252.266	1.870	10	20	CDCD	
COC(=O)N1CCN(Cc2ccc(N(C)C)c(F)c2)CC1	768931860	TUEDQDVKSTZTLZ-UHFFFAOYSA-N	295.358	1.776	10	20	CDCD	
CCNC(=O)CN(C)Cc1ccc(OCC)cc1O	768916190	ULSFWYAJBQLUPP-UHFFFAOYSA-N	266.341	1.359	10	20	CDCD	
CC(C)C[C@@H](O)CNC(=O)/C=C\c1ccc(O)c(O)c1	779485707	MOZUKJAAGQYVLR-TXNVCOODSA-N	279.336	1.634	10	20	CDCD	
Nc1ccc(CC(=O)N2CCO[C@H](C(F)F)C2)cc1	877301291	QKPGWUZNGZVIFW-NSHDSACASA-N	270.279	1.304	10	20	CDCD	
C[C@@H](NCc1nnnn1C1CC1)c1ccc(N(C)C)cc1	773029871	IDAIBLXOYSVWSB-LLVKDONJSA-N	286.383	1.925	10	20	CDCD	
Cc1ccc(CN[C@H]2C[C@H]3CCCCN3C2=O)c(O)c1	877578419	CJLFWYKJYPEBIS-KGLIPLIRSA-N	274.364	1.944	10	20	CDCD	
OC[C@@H]1C[C@H](O)CN1Cc1cc(Cl)cc(F)c1O	776010306	RGGAMZDYXSBTOP-UWVGGRQHSA-N	275.707	1.112	10	20	CDCD	
COC1(CO)CCN(Cc2ccc(C)cc2O)CC1	877481692	PTSYCDIFMFTMKM-UHFFFAOYSA-N	265.353	1.674	10	20	CDCD	
C[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1nc[nH]n1	779526186	QCPDXLIYUTUMHJ-QIUOEGRZSA-N	274.280	1.107	10	20	CDCD	
CCN(C)c1ccc(CN2[C@H]3CC[C@H]2CC(=O)NC3)cc1	773754823	OQUYRALHITVGQF-HOTGVXAUSA-N	287.407	1.996	10	20	CDCD	
C[C@H]1C[C@H](CNC(=O)NCc2ccc(N)cc2)CCO1	1120527427	RPIZYVNMZIDIKC-WCQYABFASA-N	277.368	1.883	10	20	CDCD	
COc1cccc(O)c1CN(C)[C@@H](C)CN1CCOCC1	789764194	UKEWMDVUQFPGNZ-ZDUSSCGKSA-N	294.395	1.553	10	20	CDCD	
C[C@@H]1OC(=O)N[C@@H]1C(=O)NCc1ccc(N(C)C)c(F)c1	788531352	SGMQDYGXXBFTKW-UFBFGSQYSA-N	295.314	1.005	10	20	CDCD	
COC(=O)CCCOC(=O)c1ccc(C)c(O)c1O	783144597	ZJZIPZISMVODTR-UHFFFAOYSA-N	268.265	1.516	10	20	CDCD	
Oc1c(F)cc(F)cc1CN1CCC2(C1)OCCO2	893995534	NATWRNRPETZLJI-UHFFFAOYSA-N	271.263	1.619	10	20	CDCD	
CC(C)[C@@H]1CN(Cc2cc3c(cc2O)OCO3)CCO1	709028046	MRCHRGZEXBGQPE-HNNXBMFYSA-N	279.336	1.978	10	20	CDCD	
CCOCCOC[C@H](O)CNCc1cccc(C)c1O	792197160	YPZXESZFFCSAED-CQSZACIVSA-N	283.368	1.204	10	20	CDCD	
Cc1ccc([C@@H](C)NC[C@@H]2CN(C)CCN2C)c(O)c1	68800523	KPPGIUKOZPLNFD-ZIAGYGMSSA-N	277.412	1.597	10	20	CDCD	
CCc1cc(C(=O)NCc2ccc(N)cc2)n(C)n1	90125284	SPHNWUCBBPZEAP-UHFFFAOYSA-N	258.325	1.495	10	20	CDCD	
O=C(NCc1cccc(O)c1O)[C@@H]1C[C@H]1c1cnc[nH]1	1303195636	YKGYWELYBKZSEO-NXEZZACHSA-N	273.292	1.241	10	20	CDCD	
Cc1ccc(O)c(CNS(=O)(=O)c2cnc(C)n2C)c1	1328852171	QJKFZVYNYWWBCW-UHFFFAOYSA-N	295.364	1.221	10	20	CDCD	
Cc1ccc(O)c(CNS(=O)(=O)CCCCF)c1	1334975898	PXKJURYKWGCOBZ-UHFFFAOYSA-N	275.345	1.870	10	20	CDCD	
CN(C)C[C@H](NCc1ccc2c(c1)CCCO2)C(=O)O	1262383961	PMFFXRWWIMCQGG-ZDUSSCGKSA-N	278.352	1.116	10	20	CDCD	
C[C@@H]1C[C@@H](C)[C@@H](C(=O)NCc2cccc(O)c2O)O1	1348048507	ULHJDLHEIMPXPI-KKFJDGPESA-N	265.309	1.528	10	20	CDCD	
CC[C@H](O)[C@@H](C)C(=O)NCc1cccc(O)c1O	1350299906	KPPALHKXKFLWIW-SCZZXKLOSA-N	253.298	1.121	10	20	CDCD	
C[C@H](NC(=O)NCc1ccc(N)cc1)[C@@H]1CCOC1	1357240693	CWXPIESQYKZFGV-CMPLNLGQSA-N	263.341	1.493	10	20	CDCD	
CCOCCOCCNCc1c(O)cccc1OC	922940208	BCDJKAVQWQZFOA-UHFFFAOYSA-N	269.341	1.544	10	20	CDCD	
C[C@@H](C(=O)O)C(=O)NCc1cccc(Cl)c1O	1573590357	CMTZEOVKWPHVON-ZCFIWIBFSA-N	257.673	1.383	10	20	CDCD	
CC[C@@H]1C(=O)NCCN1Cc1cc(C)cc(OC)c1O	164303793	HXUXIIRCUPLIKG-GFCCVEGCSA-N	278.352	1.420	10	20	CDCD	
COc1ccnc(NCCc2ccc(O)c(O)c2)n1	301544435	DLXOPYLILZIDTB-UHFFFAOYSA-N	261.281	1.551	10	20	CDCD	
CCc1cccc(CN2CC[C@@H](NC(N)=O)C2)c1O	690739964	RKGNNWJELWJGAG-GFCCVEGCSA-N	263.341	1.197	10	20	CDCD	
O=C(CSc1nccs1)N[C@@H]1CCSC1=O	173330939	FWCMYWOSQKQXTL-ZCFIWIBFSA-N	274.392	1.384	10	20	CDCD	
CNC(=O)[C@H](C)CN(C)Cc1c(O)cccc1Cl	219840319	GETLJVGDKALHKB-SECBINFHSA-N	270.760	1.860	10	20	CDCD	
Cc1nc(C(=O)NCc2ccc(N(C)C)cc2)no1	122506472	ZGJDJOVVXGEYLZ-UHFFFAOYSA-N	260.297	1.374	10	20	CDCD	
Cc1ccc(C(=O)N[C@H]2CCCC[C@@H]2O)c(O)c1O	182841220	YBYWOPUNLVCUTP-QWRGUYRKSA-N	265.309	1.440	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@@]2(CCOC2)C1	180858772	BPVFEWZWFKAVMP-WPTTZPOMSA-N	289.331	1.750	10	20	CDCD	
Cc1ccc(C(=O)Nc2ccnc3ccnn23)c(O)c1O	182463452	RHIAUPOIYYUYTN-UHFFFAOYSA-N	284.275	1.701	10	20	CDCD	
O=C(N[C@@H](CCO)c1ccco1)c1cccc(O)c1O	193166391	FAOVCRFYKADXAR-JTQLQIEISA-N	277.276	1.544	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCO[C@@H]([C@H]2CCCO2)C1	363926642	KHIGWCBZEZBHBZ-CHWSQXEVSA-N	293.319	1.118	10	20	CDCD	
CC(C)CN1CC(=O)N[C@H]1c1cccc(F)c1O	272155680	CPHXZBTUYYNOKQ-CYBMUJFWSA-N	252.289	1.618	10	20	CDCD	
COc1cccc(CN[C@@]2(C)CCOC2=O)c1O	289912563	UWJHAWMQMLEFHB-ZDUSSCGKSA-N	251.282	1.196	10	20	CDCD	
CN1CCC[C@@H]1CNC(=O)c1c(F)ccc(O)c1O	294890454	QVBTXAOZQHGFLG-MRVPVSSYSA-N	268.288	1.061	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)c2cccc(O)n2)c1	801615189	DAYAWFUQDYYULJ-VIFPVBQESA-N	288.303	1.992	10	20	CDCD	
CCN(Cc1ccc(N2CCN(C)CC2)cc1)[C@H](C)CO	814170079	RKOFILVKLZMPQM-OAHLLOKOSA-N	291.439	1.641	10	20	CDCD	
CCn1nncc1C(=O)N[C@H](C)c1cc(OC)ccc1O	815834912	FEBIGOSHPGSQEJ-SECBINFHSA-N	290.323	1.503	10	20	CDCD	
COCCNCCN[C@@H](C)c1ccc(C)c(C)c1O	817965456	VCQOOBGRSRGIIO-ZDUSSCGKSA-N	266.385	1.896	10	20	CDCD	
OCCCN1CCC[C@@H](NCc2cc(Cl)ccc2O)C1	824583235	JRILWVNPRYMMRU-CQSZACIVSA-N	298.814	1.982	10	20	CDCD	
CCN1CCN(C(=O)c2c(F)ccc(O)c2O)C[C@H]1C	827311180	WPAGCIFNLPAPMJ-SECBINFHSA-N	282.315	1.403	10	20	CDCD	
CC(C)COC(=O)[C@H](C)NC(=O)c1c(F)ccc(O)c1O	827538792	YHCBDRSONJQGNF-QMMMGPOBSA-N	299.298	1.554	10	20	CDCD	
CC(C)(NC(=O)O)C(=O)NCc1ccccc1O	826627335	ZKIKOMYFNBXGSP-UHFFFAOYSA-N	252.270	1.055	10	20	CDCD	
CCCCN1CC(=O)N[C@@H]1c1cc(C(=O)OC)ccc1O	726797011	QUNROURXFCEZMX-AWEZNQCLSA-N	292.335	1.409	10	20	CDCD	
CCCOc1ccccc1NC[C@H](O)C[C@@]1(O)CCOC1	905301747	SCCJRFRLBXPEMX-CJNGLKHVSA-N	295.379	1.790	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)C(C)(C)O	582243120	BOBKCJCOGDJPME-UHFFFAOYSA-N	264.325	1.249	10	20	CDCD	
N[C@@H](CC(=O)NCCCSc1nccs1)C1CC1	829528157	MHYCPDGZTZZLSQ-JTQLQIEISA-N	285.438	1.869	10	20	CDCD	
CCOC(=O)[C@@H](C(=O)NCc1ccc(O)c(O)c1)C(C)C	821070609	HWUCIMKHRDIYMO-CYBMUJFWSA-N	295.335	1.549	10	20	CDCD	
C[C@H](CNC(=O)c1c(F)ccc(O)c1O)N1CCCC1	825440642	AGEJUCSOXMGXFZ-SECBINFHSA-N	282.315	1.451	10	20	CDCD	
COc1ccc(N2CCC(N[C@@H](C)C(=O)O)CC2)cc1	738098962	VLNVMGSBVWNUCA-NSHDSACASA-N	278.352	1.727	10	20	CDCD	
Cc1ccc(C(=O)N2CC[C@@H](O)[C@H]2C)c(O)c1O	837013202	QUTGZNCZNXOCSG-PSASIEDQSA-N	251.282	1.002	10	20	CDCD	
COCCOCC(=O)NCCCSc1nccs1	733972140	AMKBIZAUKZIVBQ-UHFFFAOYSA-N	290.410	1.405	10	20	CDCD	
CCOC(=O)N1CC[C@H](NC(=O)Cc2ccc(N)cc2)C1	832157507	AGOMFJZRVXSRLW-ZDUSSCGKSA-N	291.351	1.158	10	20	CDCD	
C[C@H]1C[C@@H](N2C(=O)CN(Cc3ccccc3O)C2=O)CO1	843314948	TWTOXOQYXBRBQL-CMPLNLGQSA-N	290.319	1.334	10	20	CDCD	
COCCCn1nccc1CNCCc1ccc(N)cc1	841038277	IMOUQDROTFEWSA-UHFFFAOYSA-N	288.395	1.834	10	20	CDCD	
C[C@@H](N[C@@H]1CC(=O)N(C)C1)c1ccc(Cl)cc1O	841746210	DCPXFLGVGNIXQX-PSASIEDQSA-N	268.744	1.927	10	20	CDCD	
COc1cc(Cl)cc(CN[C@H](C)CCN)c1O	841051155	OFTVWDSVCWBTGV-MRVPVSSYSA-N	258.749	1.881	10	20	CDCD	
C[C@@H]1C[C@H](C(=O)N(C)Cc2ccccc2O)O[C@H]1C(=O)O	911229600	GFBCIHDFRXDENL-OASPWFOLSA-N	293.319	1.229	10	20	CDCD	
CN(C)C1(CNC(=O)/C=C\c2ccc(O)c(O)c2)CC1	841455168	KGNOJJKSWVIQOS-XQRVVYSFSA-N	276.336	1.321	10	20	CDCD	
C[C@H](NC(=O)N[C@H](CN)C1CC1)c1ccc(N(C)C)cc1	841881941	FIJLXGSBIIMKFV-XHDPSFHLSA-N	290.411	1.850	10	20	CDCD	
Nc1ccc(CCNC(=O)NC[C@@H]2CCCOC2)cc1	841723869	BCNQHUMNOHBKAJ-ZDUSSCGKSA-N	277.368	1.537	10	20	CDCD	
C[C@H](NC[C@@H](O)Cn1ccnn1)c1cc(Cl)ccc1O	840805057	LNJSIUJGOFEQDV-GXSJLCMTSA-N	296.758	1.349	10	20	CDCD	
COc1cccc([C@@H](C)NCc2nnnn2C2CC2)c1O	846154521	NOYBTVSYMJIDSP-SECBINFHSA-N	289.339	1.573	10	20	CDCD	
COCC1(CNCc2ccc3c(c2)CCO3)CCNCC1	841068225	LFZNPJMZQKRMEU-UHFFFAOYSA-N	290.407	1.727	10	20	CDCD	
C[C@@H](CNC(=O)NCc1ccccc1O)Cn1cccn1	748460724	QDQZVDUTKYBNIJ-LBPRGKRZSA-N	288.351	1.724	10	20	CDCD	
O=C(OCCn1cc([N+](=O)[O-])cn1)c1cccc(O)c1O	758559836	SXHZWEQEZHJGRN-UHFFFAOYSA-N	293.235	1.060	10	20	CDCD	
Cc1ccc([C@H](C)N[C@H](C)CC(N)=O)c(O)c1C	756662265	ZNHIRPAPSPTUMK-KOLCDFICSA-N	250.342	1.924	10	20	CDCD	
CCN(CC)c1ccc(CN[C@@H]2CNCCOC2)cc1	925479759	JVSYFUBNEJMUHI-OAHLLOKOSA-N	277.412	1.611	10	20	CDCD	
CC1=NO[C@H](C(=O)NCc2cc(Cl)ccc2O)C1	855022807	JTTHBPPVSRNVKT-NSHDSACASA-N	268.700	1.827	10	20	CDCD	
COc1ccc(O)c(CNC(=O)N[C@H]2C=CCC2)c1	853736432	AWDBBKPFTOOTOS-NSHDSACASA-N	262.309	1.919	10	20	CDCD	
CNC[C@H](C)NCc1ccc(N2CCOCC2)cc1	853250508	QYBIINLNRGGHHG-ZDUSSCGKSA-N	263.385	1.221	10	20	CDCD	
CCN(CC(=O)Nc1cnccn1)c1ccc(OC)cc1	851827994	LHRDPOCZAZRZOA-UHFFFAOYSA-N	286.335	1.950	10	20	CDCD	
C[C@H](CCCO)NCc1ccc(N2CCC(O)CC2)cc1	850566403	NHBPIJQJJHOYDW-CQSZACIVSA-N	292.423	1.898	10	20	CDCD	
O=C(COc1cccnc1)NCc1ccc(O)c(O)c1	768914692	FFVYOIFDZSBZGU-UHFFFAOYSA-N	274.276	1.188	10	20	CDCD	
CC(C)CN(CC(N)=O)C(=O)c1cc(O)cs1	765182465	LZEIWKMCJZYTHY-UHFFFAOYSA-N	256.327	1.037	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)c2cnn(C)c2C)c1	862759744	KJUGLIQLDSYZLJ-UHFFFAOYSA-N	259.309	1.673	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@H]2C[C@@H](CO)C2)c1	866416346	SQVPTAUCBHEQEE-JBLDHEPKSA-N	279.336	1.600	10	20	CDCD	
COc1ncc(NC(=O)c2cc(O)cs2)cc1C(N)=O	762567715	CNBWYQDCIIYBFE-UHFFFAOYSA-N	293.304	1.209	10	20	CDCD	
Cc1nc([C@H](C)NC(=O)N(C)Cc2ccccc2O)no1	1117487317	NQRCJTFMCTVLDM-VIFPVBQESA-N	290.323	1.986	10	20	CDCD	
COC(=O)c1cc(CNCc2ccc(N(C)C)cc2)on1	876906161	RVTIFQIZBGHIPB-UHFFFAOYSA-N	289.335	1.817	10	20	CDCD	
COC[C@@](C)(CO)NCc1ccc(N(C)C)c(C)c1	879163441	UFFJLCCJLIHMPH-OAHLLOKOSA-N	266.385	1.548	10	20	CDCD	
COCC[C@@H](C)NCc1ccc(N2CCN(C)CC2)cc1	776151409	MKTKJYCDSGBDJU-OAHLLOKOSA-N	291.439	1.953	10	20	CDCD	
C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1nncn1C	779480606	YOZQGAWIDNCRRX-OTQAPUNGSA-N	288.307	1.117	10	20	CDCD	
COc1cc(C)cc(CNCCCc2cnn(C)n2)c1O	894857450	NBNJXCGTNQYTDB-UHFFFAOYSA-N	290.367	1.560	10	20	CDCD	
CC[C@@H](NCc1cc(C)cc(OC)c1O)C(=O)NC	894948862	KGOHJLAWDINMMY-LLVKDONJSA-N	266.341	1.323	10	20	CDCD	
COc1ccc(CN(CC(N)=O)CC(C)C)c(O)c1OC	891670743	JAUFTBOEUDUTQF-UHFFFAOYSA-N	296.367	1.353	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNC[C@@H]2CCN2C)c1O	896593566	BXQQZXALOUZKPR-JTQLQIEISA-N	281.312	1.103	10	20	CDCD	
O=C(NCCN1CCc2ccccc21)c1cccc(O)c1O	790550346	AHSAELPVCUZUBL-UHFFFAOYSA-N	298.342	1.890	10	20	CDCD	
COC[C@@H](O)CNCc1ccc(Br)cc1O	691462294	MKSZPBGQBWIXQR-JTQLQIEISA-N	290.157	1.252	10	20	CDCD	
NC(=O)c1ccc(S(=O)(=O)Nc2ccc(O)cc2)cc1	784079608	MTTLAQORFGECJT-UHFFFAOYSA-N	292.316	1.292	10	20	CDCD	
Cn1ccc(CCC(=O)NCc2ccc(O)cc2O)n1	1332166244	STEVSZJBNKNLRB-UHFFFAOYSA-N	275.308	1.080	10	20	CDCD	
CC[C@@H](C)[C@H](O)CNC(=O)NCc1ccc(N)cc1	1335737518	QPOASTSQFSVFSW-ZWNOBZJWSA-N	265.357	1.475	10	20	CDCD	
CC1(C)C[C@H](O)CCN(C(=O)NCc2ccc(N)cc2)C1	1336290188	IWHZPBFXFPBEPO-CQSZACIVSA-N	291.395	1.961	10	20	CDCD	
C[C@H]1CC[C@@H](C)N1[C@@H](C)C(=O)NCc1cccc(O)c1O	1348048637	VYKVYZPATFJBQY-TUAOUCFPSA-N	292.379	1.975	10	20	CDCD	
CC[C@H](NC[C@H]1CCN(c2ccc(OC)cc2)C1)C(=O)O	1609932561	MTSDHTQQXCMBIJ-DOMZBBRYSA-N	292.379	1.974	10	20	CDCD	
C[C@H]1CC[C@H](C(=O)O)CN1C(=O)Cc1ccc(O)c(O)c1	1603381956	VSNFCZXGXJKFLQ-ONGXEEELSA-N	293.319	1.352	10	20	CDCD	
CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@@H]1CCCN1	1573876476	HJAXLKBWLCLMNV-INIZCTEOSA-N	287.407	1.997	10	20	CDCD	
N[C@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)NCCc1ccc(O)c(O)c1	1580412329	VANHCEGYYDQZJQ-AZHAFVHUSA-N	290.363	1.130	10	20	CDCD	
Oc1cccc2c1CN(c1ncccc1-c1nn[nH]n1)C2	1593540088	NUKLIMVKHKICOK-UHFFFAOYSA-N	280.291	1.488	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)c1cnc(C(=O)O)cn1	1593760602	DVUAAHGLGHQFCG-UHFFFAOYSA-N	287.275	1.153	10	20	CDCD	
CCN(CC)c1ccc(CN[C@@H](CO)COC)cc1	233452995	YMVLCNPVMZKMNP-AWEZNQCLSA-N	266.385	1.630	10	20	CDCD	
COc1ccc(O)c(CN[C@H](C)C[S@@](C)=O)c1	168413692	ZIKOZSZVSGDNLJ-XLFHBGCDSA-N	257.355	1.257	10	20	CDCD	
COc1cccc(CNC(=O)c2ccc(F)nc2)c1O	155728666	LUSUMXIHPFOODN-UHFFFAOYSA-N	276.267	1.865	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@H]1CC[C@@H](C(=O)O)C1	234287835	GYHCMTWYMWKMHW-WDEREUQCSA-N	277.320	1.852	10	20	CDCD	
C[C@@]1(C(=O)NCCc2ccc(N)cc2)CC1(F)F	818545346	ZIUZDGJBXTVLHL-LBPRGKRZSA-N	254.280	1.973	10	20	CDCD	
Cc1cccc(O)c1CN1CCN2C(=O)OC[C@@H]2C1	876762908	BOKFMKRDPQDLTI-NSHDSACASA-N	262.309	1.337	10	20	CDCD	
CNC(=O)C[C@H](C)NCc1cc(Cl)cc(OC)c1O	322967804	WEPZEXMAKYTPJV-QMMMGPOBSA-N	286.759	1.668	10	20	CDCD	
C[C@H]1C[C@@H](CNC(=O)Cc2ccc(N)cc2)CCO1	389140421	YCXMKGBUHFRBAC-AAEUAGOBSA-N	262.353	1.743	10	20	CDCD	
CC(=O)NC1CCN(Cc2cc3c(cc2O)OCO3)CC1	50899524	IAWPQJGWZRCYLN-UHFFFAOYSA-N	292.335	1.221	10	20	CDCD	
CCN(C)C[C@H]1CCN(Cc2cc3c(cc2O)OCO3)C1	173490537	JWUUOZRCRNVFBE-GFCCVEGCSA-N	292.379	1.895	10	20	CDCD	
Oc1cc2c(cc1CNC[C@@H]1CCOC1)OCO2	42880188	GSAJQPUVODTGHB-VIFPVBQESA-N	251.282	1.247	10	20	CDCD	
C[C@@H](NCc1cc(F)ccc1O)C(=O)NCc1ccco1	180921933	WYSFLTQYGJHGJG-SNVBAGLBSA-N	292.310	1.919	10	20	CDCD	
OCCO[C@H]1CCCN(Cc2cc(F)ccc2O)C1	180134422	FGQPKFBWNBXCDK-ZDUSSCGKSA-N	269.316	1.505	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)[C@@H]1CCCCO1	182516149	ZDXLQKJIWVCYEW-LBPRGKRZSA-N	251.282	1.283	10	20	CDCD	
COC(=O)C[C@@H]1CCCCN1C(=O)c1cccc(O)c1O	126732873	DBCNHULDDQQOHL-JTQLQIEISA-N	293.319	1.656	10	20	CDCD	
COCCOC[C@H]1CCN(Cc2cc(OC)ccc2O)C1	180526103	FSCOZWCDCMRCLJ-ZDUSSCGKSA-N	295.379	1.886	10	20	CDCD	
C[C@H](NCCCN1CCN(C)CC1)c1cc(F)ccc1O	94616877	ZWXFFHQMMXFQGW-ZDUSSCGKSA-N	295.402	1.819	10	20	CDCD	
CC[C@@H](NCC1(CO)COC1)c1ccc(N(C)C)cc1	90643148	LZMVVAWTPOEIMW-OAHLLOKOSA-N	278.396	1.802	10	20	CDCD	
CN1CCC[C@H](CN(C)Cc2cc3c(cc2O)OCO3)C1	92253865	HMGHMABGFJSLLC-LBPRGKRZSA-N	292.379	1.895	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2[C@H]1CCOC1=O	181118457	MZPZGHAOQVEKNL-LBPRGKRZSA-N	262.309	1.267	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNC2CCN(C)CC2)c1O	278570097	CRGKNLFTNLUKSV-UHFFFAOYSA-N	295.339	1.493	10	20	CDCD	
CC(C)(CO)CCCNC(=O)c1c(F)ccc(O)c1O	276529244	DQPNHBOKIQFJPF-UHFFFAOYSA-N	285.315	1.765	10	20	CDCD	
CSCC[C@@H](O)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	274941014	PMPBIVLJEFZIMM-BXKDBHETSA-N	299.392	1.259	10	20	CDCD	
C[C@H]1C[C@@H](N2CCOCC2)CN1Cc1ccccc1O	289188856	ASOJEGYAZSTOGB-DZGCQCFKSA-N	276.380	1.687	10	20	CDCD	
CCOC(=O)/C(=C\c1cnn(C)c1)c1nccn1C	299120602	FWJABXIJVXZRLT-XFFZJAGNSA-N	260.297	1.257	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCOC[C@H]1[C@H]1CCCO1	807688449	KMSVYBNLVVLGTK-WDEREUQCSA-N	283.349	1.474	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H](C)n1cncn1	819756377	VOKGLZZCMSWDLZ-JTQLQIEISA-N	295.339	1.347	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@H](C)CCCN)c1	817977378	JBNBVKFWWOPKQQ-MNOVXSKESA-N	280.368	1.957	10	20	CDCD	
COc1ccc(N2CCN(C[C@@H]3CCC(=O)O3)CC2)cc1	821387233	RLHZDCPHFMPALU-HNNXBMFYSA-N	290.363	1.523	10	20	CDCD	
Cc1cc(Cl)cc([C@@H](C)N[C@@H]2COC[C@H]2O)c1O	834897947	XQWMCYULRDQGQX-GGZOMVNGSA-N	271.744	1.764	10	20	CDCD	
CC(C)NCc1cn(Cc2ccc(N(C)C)cc2)nn1	905795954	IDYRIZJLJNXURO-UHFFFAOYSA-N	273.384	1.890	10	20	CDCD	
CC(C)n1ccc(CNC(=O)Cc2ccc(N)cc2)n1	830130933	LWDXIMJNXXVUDK-UHFFFAOYSA-N	272.352	1.905	10	20	CDCD	
COC(=O)c1cnc(SCCC(=O)N(C)OC)s1	834382290	JHWNVKXMOKGRSH-UHFFFAOYSA-N	290.366	1.432	10	20	CDCD	
NC(=O)[C@@H](NC(=O)c1cc(O)cs1)c1ccccc1	731864622	AMICRHYGQSQQTD-NSHDSACASA-N	276.317	1.410	10	20	CDCD	
CCc1noc(C(=O)N(C)Cc2ccc(N(C)C)cc2)n1	902614549	WEZZGIHFSVQJRP-UHFFFAOYSA-N	288.351	1.970	10	20	CDCD	
COc1cccc(CNC(=O)CCCNC(=O)O)c1O	738096746	JRLDSKLTJHUPAL-UHFFFAOYSA-N	282.296	1.065	10	20	CDCD	
CCn1cc(NC(=O)c2cc(O)cs2)ccc1=O	731870607	RSKBUCSJHQBKKZ-UHFFFAOYSA-N	264.306	1.888	10	20	CDCD	
COC(=O)[C@@H]1C[C@@H]1c1nc(Cc2ccc(N)cc2)no1	843159437	PGRHCWCYCJKQRY-WDEREUQCSA-N	273.292	1.519	10	20	CDCD	
NC[C@@H]1CN(Cc2cc(Cl)cc(F)c2O)CCO1	843065329	KSVCKBJETMDVAD-SNVBAGLBSA-N	274.723	1.344	10	20	CDCD	
COc1cc(O)c(CN2CC[C@@H](N)C[C@@H]2C)cc1OC	846704187	SEBVHONTJIRYEI-CMPLNLGQSA-N	280.368	1.721	10	20	CDCD	
C[C@H](CO)C1CCN(C(=O)c2cc(O)cs2)CC1	846661603	VPXCOBNDUBZWIB-SECBINFHSA-N	269.366	1.934	10	20	CDCD	
CCN(CCCN(C)C)C(=O)NCCc1ccc(N)cc1	841960080	UOTRPKMPYJLVPO-UHFFFAOYSA-N	292.427	1.795	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC[C@H](C)S(C)(=O)=O	840936233	HCVATAJGGMKELQ-LBPRGKRZSA-N	284.425	1.584	10	20	CDCD	
CCC[C@@H](CNC(=O)NCCc1ccc(N)cc1)OC	841907043	IIWAWYXCUYIBKG-AWEZNQCLSA-N	279.384	1.926	10	20	CDCD	
NC(=O)[C@H]1CC[C@H]1C(=O)NCc1cc(Cl)ccc1O	848242299	BGHHOYODUFUMBA-VHSXEESVSA-N	282.727	1.173	10	20	CDCD	
COc1ccc(CNC(=O)c2[nH]c(C)nc2C)c(O)c1	857199081	AIHBIIULSMDRBN-UHFFFAOYSA-N	275.308	1.671	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)CCN2CCOC2=O)c1	862759007	SXMUELHDHDLGPQ-UHFFFAOYSA-N	278.308	1.159	10	20	CDCD	
COc1cc(O)c(CN[C@H](CO)CC(F)F)cc1OC	763521118	NPCXGSPILIBTKT-VIFPVBQESA-N	291.294	1.515	10	20	CDCD	
CN(C)c1ccc([C@H](N)CNCC2=CCCOC2)cc1	863642061	PPJBIVQQMYWBOK-MRXNPFEDSA-N	275.396	1.689	10	20	CDCD	
CN1CCCc2cc(CNC(=O)Cc3nc[nH]n3)ccc21	865053585	JERHBMHZMGPBQB-UHFFFAOYSA-N	285.351	1.046	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)N[C@@H](C)Cn2cccn2)c1	1119083789	KOUWCHXNYRFGCU-LBPRGKRZSA-N	288.351	1.785	10	20	CDCD	
Cc1ncc(C(=O)N(C)Cc2ccccc2O)c(N)n1	769490357	CXFPFWISMDHMRM-UHFFFAOYSA-N	272.308	1.345	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NCc1ccon1	779487198	AHVNEKDGZADWKC-DUXPYHPUSA-N	260.249	1.415	10	20	CDCD	
O=C(NCc1ccccc1O)N[C@H]1C[C@@H](C(=O)O)C1	874414164	FTRODTCVTJJCCU-AOOOYVTPSA-N	264.281	1.055	10	20	CDCD	
C[C@H](NCC1OCCO1)c1ccc(N2CCOCC2)cc1	777722496	TZPKYUHOBLLBGL-ZDUSSCGKSA-N	292.379	1.547	10	20	CDCD	
CC(C)(CO)N1CCN(Cc2ccccc2O)CC1	770511079	YXTDHVSIHMTQAW-UHFFFAOYSA-N	264.369	1.281	10	20	CDCD	
CNC(=O)CCCCC(=O)NCc1cccc(OC)c1O	779811049	BRWRXIQFCOSUKI-UHFFFAOYSA-N	294.351	1.323	10	20	CDCD	
C[C@@H](NC(=O)CCn1cncn1)c1ccc(N(C)C)cc1	773015589	PYRHPBOOTFLVGM-GFCCVEGCSA-N	287.367	1.612	10	20	CDCD	
C[C@@H]1C(=O)CCCN1C(=O)/C=C\c1ccc(O)c(O)c1	885048626	VMMPMERALFBCHY-ONRRBMGISA-N	275.304	1.691	10	20	CDCD	
Cc1ccc(C(=O)NC[C@@H](O)c2cccnc2)c(O)c1O	780985405	DHWFWCUYHLOLTJ-GFCCVEGCSA-N	288.303	1.265	10	20	CDCD	
O=C(COC(=O)c1cc(O)cs1)c1ccc(O)c(O)c1	783608862	UILVQGYHQUAQBG-UHFFFAOYSA-N	294.284	1.905	10	20	CDCD	
CO[C@@H]1CCOC[C@H]1NC(=O)N[C@H](C)c1ccccc1O	898076628	JKWZUKDEQJKQEF-MPKXVKKWSA-N	294.351	1.556	10	20	CDCD	
O=C(CCn1cccc1)OCC(=O)c1ccc(O)c(O)c1	784039350	MPVOMGQEPPAVIH-UHFFFAOYSA-N	289.287	1.716	10	20	CDCD	
CN(CCN1CCOCC1)Cc1cc(Cl)ccc1O	92974780	QJLJEHMRPQPLHC-UHFFFAOYSA-N	284.787	1.810	10	20	CDCD	
COc1ccc(CN(C)C[C@@H]2COCCO2)c(O)c1OC	895366117	YJROWVPCQYKYCI-GFCCVEGCSA-N	297.351	1.257	10	20	CDCD	
COc1ccc(CNC(=O)N[C@@H](C)CSC)c(O)c1	792949609	CFXCRQVIKLBLTJ-VIFPVBQESA-N	284.381	1.952	10	20	CDCD	
O=C(C[C@H]1CCOC1)NCCc1ccc(O)c(O)c1	754274840	QLDGFLGDYNYTDV-LLVKDONJSA-N	265.309	1.183	10	20	CDCD	
C=CC(=O)NCCN1CCN(c2ccc(OC)cc2)CC1	1338390770	XMPLEMBWSSHTGM-UHFFFAOYSA-N	289.379	1.119	10	20	CDCD	
C[C@H]1C[C@@H](C)O[C@@H]1C(=O)NCc1cccc(O)c1O	1348048508	ULHJDLHEIMPXPI-RWEMILLDSA-N	265.309	1.528	10	20	CDCD	
O=C(O)CCCNC(=O)NCc1cc(Cl)ccc1O	1343054245	JFUNXQIKXLSAMJ-UHFFFAOYSA-N	286.715	1.710	10	20	CDCD	
Nc1ccc(CN[C@H](CO)[C@@H]2CCCOC2)cc1	1356083337	NLRFTEKLSCQBAO-TZMCWYRMSA-N	250.342	1.146	10	20	CDCD	
CN(C)C(=O)[C@H]1CCCN(C(=O)c2cc(O)cs2)C1	1528910796	SYUJYYRTBKYLDC-VIFPVBQESA-N	282.365	1.394	10	20	CDCD	
Cc1cc(O)c(CN2C[C@@H](O)C[C@H](C(=O)O)C2)cc1C	1600286604	RQCRZGZYDLKNOH-STQMWFEESA-N	279.336	1.276	10	20	CDCD	
CCOc1ccc(O)c(CN[C@@H]2CCO[C@@H]2C(=O)O)c1	1605697758	PANDRXWGJVKPQB-YPMHNXCESA-N	281.308	1.123	10	20	CDCD	
C[C@H](NC(=O)Cc1ccc(N)cc1)C1CCOCC1	226371561	AYBNLYUKVJETIY-NSHDSACASA-N	262.353	1.743	10	20	CDCD	
O=S1(=O)CCC[C@H]1CNCc1cc(F)ccc1O	226617027	HWCJROXEKMIAGW-NSHDSACASA-N	273.329	1.198	10	20	CDCD	
CC1(C)CCN(CC(=O)NCc2cccc(O)c2O)C1	1548791565	UIVNVIKNCQPRFK-UHFFFAOYSA-N	278.352	1.446	10	20	CDCD	
CCNS(=O)(=O)CCN[C@H](C)c1ccc(F)cc1O	230666869	ACTNFSFRODDUTA-SECBINFHSA-N	290.360	1.121	10	20	CDCD	
CCC1(CNCc2c(O)cccc2OC)COC1	825072497	GIXOUKLYEOAAGR-UHFFFAOYSA-N	251.326	1.917	10	20	CDCD	
COC[C@H](C)N[C@@H](C)c1cc(C(=O)O)ccc1O	1599276594	AJVGUJUHGRAMPK-IUCAKERBSA-N	253.298	1.776	10	20	CDCD	
CC(C)N(C)C[C@@H](O)CSc1ncc(C(=O)O)s1	1591549315	CMNHLOABVXGDIL-MRVPVSSYSA-N	290.410	1.635	10	20	CDCD	
CCC[C@@](C)(NC(=O)Cc1ccc(O)c(O)c1)C(=O)O	1595547599	VWYWCHGGCPXWFO-CQSZACIVSA-N	281.308	1.400	10	20	CDCD	
CCOc1nccnc1NCCc1ccc(O)c(O)c1	811811421	SYYPNHCZYTWSIY-UHFFFAOYSA-N	275.308	1.941	10	20	CDCD	
O=C(CNCc1ccc2c(c1)CCCO2)NCC1CC1	921975107	ZVSFPTLFGKDWCJ-UHFFFAOYSA-N	274.364	1.627	10	20	CDCD	
COCCCCn1cc(COc2ccc(N)cc2)nn1	881315111	BFUZGQOYYMGFFE-UHFFFAOYSA-N	276.340	1.866	10	20	CDCD	
Cc1cccc(CNCCO[C@@H]2CCOC2)c1O	897202327	RXYDEYPGWHTUFS-CYBMUJFWSA-N	251.326	1.596	10	20	CDCD	
COCC[C@H](CO)NCc1cc(F)cc(F)c1O	708453469	GWFJICAOVBXYKQ-SNVBAGLBSA-N	261.268	1.157	10	20	CDCD	
Cc1ccc(O)c(CN2CC[C@H](N3CCNCC3)C2)c1	380219505	IXENCAHGHKMQQI-HNNXBMFYSA-N	275.396	1.180	10	20	CDCD	
C[C@H]1CC[C@H](C(=O)O)CN1C(=O)Cc1ccc(N)cc1	397071679	MHNUXCILEXOGKJ-JQWIXIFHSA-N	276.336	1.523	10	20	CDCD	
C[C@@H](N[C@@H]1CC[C@H](C(N)=O)C1)c1cc(F)ccc1O	834905869	AASQQNDJEORLPV-WCABBAIRSA-N	266.316	1.836	10	20	CDCD	
CCN(C)S(=O)(=O)N[C@H](C)c1ccccc1O	867834970	XPIYDURYGWZOME-SECBINFHSA-N	258.343	1.239	10	20	CDCD	
CCOCCN1CCN(Cc2ccccc2O)CC1	179556229	CTZDARHLIVOVDH-UHFFFAOYSA-N	264.369	1.546	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N2CCC[C@](C)(O)C2)cc1	125353773	HPLUAGFBJNXSPW-INIZCTEOSA-N	291.395	1.809	10	20	CDCD	
COC[C@@H](NC(=O)c1ccc(C)c(O)c1O)C1CC1	182886412	VMFHPQMYHWHXKG-LLVKDONJSA-N	265.309	1.561	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(F)nc1	186436867	DLMJDVXOVVNALW-VIFPVBQESA-N	290.294	1.993	10	20	CDCD	
CC[C@H](N[C@@H](C)c1ccccc1O)C(=O)N1CCOCC1	183547607	FTHRPIQNRPSJDJ-JSGCOSHPSA-N	292.379	1.680	10	20	CDCD	
COc1ccc(O)c([C@@H](C)N[C@H](C(=O)O)C2CC2)c1	86758287	WXRDYZRZRCOZQH-OQPBUACISA-N	265.309	1.915	10	20	CDCD	
C[C@@H](N)[C@H]1CN(Cc2cc(Cl)ccc2O)CCO1	132622034	SQSAXGSSPIDUBF-NOZJJQNGSA-N	270.760	1.594	10	20	CDCD	
Oc1ccccc1CNC[C@H](O)COc1ccccc1	134226193	QKNLLJJZALXFJN-AWEZNQCLSA-N	273.332	1.922	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)[C@H](C)O)cc1F	137007478	IIEMKTPSBMSZNL-JTQLQIEISA-N	268.332	1.669	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2Cc1nccn1C	179272052	OKKZYPBPPWFDCD-UHFFFAOYSA-N	272.352	1.885	10	20	CDCD	
COc1cccc(CN2CC[C@H](CS(C)(=O)=O)C2)c1O	292874064	WSJUWDFHYQIPJI-NSHDSACASA-N	299.392	1.267	10	20	CDCD	
CN1CCN(C)[C@H](CN[C@@H]2CCc3cccc(O)c32)C1	297704454	MNNHOLIODUWJDY-ZIAGYGMSSA-N	275.396	1.215	10	20	CDCD	
CCOC[C@H]1CN(C(=O)c2c(F)ccc(O)c2O)CCO1	530275209	SAURYBHFRIENSL-SECBINFHSA-N	299.298	1.114	10	20	CDCD	
CCC(=O)N1CCCN(C(=O)c2cccc(O)c2O)CC1	366879095	KAQRZJINJNFHQF-UHFFFAOYSA-N	292.335	1.182	10	20	CDCD	
CCCOc1ccc(CN[C@H](CO)COC)c(O)c1	279816565	PCEYKWXHTHFVPY-GFCCVEGCSA-N	269.341	1.278	10	20	CDCD	
CCCOc1ccc(CN2CC(=O)N(C3CC3)C2)c(O)c1	280375982	DYBOKKRTHRKDDR-UHFFFAOYSA-N	290.363	1.945	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@](C)(O)C1CC1	287990073	VFKPFADSAUEZGM-VFZGTOFNSA-N	279.336	1.306	10	20	CDCD	
Cc1ccc(C(=O)NCC2([S@](C)=O)CCC2)c(O)c1O	281716605	DVHWARAODHTTDT-FQEVSTJZSA-N	297.376	1.437	10	20	CDCD	
Cc1cc(O)ccc1NS(=O)(=O)c1c(C)cnn1C	285215512	UKNQCSWUVCEMNS-UHFFFAOYSA-N	281.337	1.543	10	20	CDCD	
Cc1cc(O)c(CNCCN2CCCOCC2)cc1C	289468979	PEVTXZHLNFOOPS-UHFFFAOYSA-N	278.396	1.821	10	20	CDCD	
C[C@H](CNC(=O)NCc1ccccc1O)CN1CCCC1	299498712	LEYYZVKBAWFPHO-CYBMUJFWSA-N	291.395	1.923	10	20	CDCD	
CN1C[C@H](NCc2ccc(Br)cc2O)CC1=O	691490819	YDUBMMPHGPMZQY-SNVBAGLBSA-N	299.168	1.475	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2cnccn2)c1	728985329	WMQHOQNDKMTFFZ-SECBINFHSA-N	273.292	1.682	10	20	CDCD	
Cc1cc(O)c(CN[C@@H]2CC[C@H](C(N)=O)C2)cc1C	825279437	QBCSRBOCMZULKJ-WCQYABFASA-N	262.353	1.753	10	20	CDCD	
CC[C@]1(CO)CCCN(C(=O)c2c(F)ccc(O)c2O)C1	829041440	GOOFBCVNZURXKD-HNNXBMFYSA-N	297.326	1.862	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1COCCO1	734405032	QSKPVLRTSWIOCX-AWEZNQCLSA-N	278.352	1.093	10	20	CDCD	
C[C@@H]1[C@H](O)CCN1Cc1cc(Cl)cc([N+](=O)[O-])c1O	825104440	WZTJGWHPRNYJAO-RDDDGLTNSA-N	286.715	1.909	10	20	CDCD	
Cc1nc(C(=O)NCc2ccc(N(C)C)c(F)c2)n(C)n1	836190262	SEGYPMJFRKYTPB-UHFFFAOYSA-N	291.330	1.259	10	20	CDCD	
COc1ccc(N2CC[C@@H](CN[C@H](C)C(=O)O)C2)cc1	904250033	WQLZMQGOKWCDAV-NEPJUHHUSA-N	278.352	1.584	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@H](CC(C)C)C(N)=O)c1	839682850	AHZCGCRQZIRFNU-GFCCVEGCSA-N	294.351	1.165	10	20	CDCD	
Cc1cc(CN[C@@H](CO)[C@@H]2CCCOC2)ccc1N(C)C	839648578	CRICSSLPDIFHFC-CVEARBPZSA-N	292.423	1.938	10	20	CDCD	
COc1cc(O)c(CN2C[C@@H](C)[C@H](C(=O)O)C2)cc1OC	833729344	LIJKNYWZOHNAJT-MWLCHTKSSA-N	295.335	1.562	10	20	CDCD	
C[C@@H]1CCCN(CCNC(=O)c2cc(O)cs2)C1	731869213	CFLKULNYOINWMQ-SNVBAGLBSA-N	268.382	1.915	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1[C@H]2CC[C@H]1COC2	838100748	XDFIWMJQPNFCPL-AQZGPHHMSA-N	275.304	1.501	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)c1cnc2n1CCCC2	910947754	LZXBJPOFZXIQOD-UHFFFAOYSA-N	287.319	1.561	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NC[C@H]2COCO2)cc1F	915371889	IYXDARCYYRVINS-NSHDSACASA-N	297.330	1.064	10	20	CDCD	
Cc1c(CN(C)c2ccc(OCC(=O)O)cc2)cnn1C	846279815	MHADBSVGVUGNKG-UHFFFAOYSA-N	289.335	1.828	10	20	CDCD	
C[C@@H]1CC[C@@H](C)N1[C@H](C)C(=O)NCc1ccc(O)cc1O	910954569	LJBKZVKTGWEICZ-IJLUTSLNSA-N	292.379	1.975	10	20	CDCD	
C[C@@H](CCN)NCc1ccc(N2CCOCC2)c(F)c1	841052910	XNORATSOGDBHGT-LBPRGKRZSA-N	281.375	1.489	10	20	CDCD	
COc1cccc(CNC(=O)Cc2cc(C)no2)c1O	845834314	SIPQYSOCZUXAMF-UHFFFAOYSA-N	276.292	1.556	10	20	CDCD	
CCN1C[C@H](CNCc2ccc3c(c2)CCO3)CC1=O	846092597	GLIDGZKRBLVAFZ-ZDUSSCGKSA-N	274.364	1.580	10	20	CDCD	
COc1ccc(CNC(=O)N[C@@H]2COC[C@H]2C)c(O)c1	926015556	IZUZGIIOYMBTDC-BXKDBHETSA-N	280.324	1.235	10	20	CDCD	
CN1CCN(c2ccc(CN[C@@H]3CCC[C@@H]3N)cc2)CC1	925764472	ZNFAARXDTQVPPZ-DLBZAZTESA-N	288.439	1.408	10	20	CDCD	
C[C@H]1CCNC(=O)[C@H]1NC(=O)N[C@H](C)c1ccccc1O	868578916	LXSUXPPOFWIJCD-CWSCBRNRSA-N	291.351	1.277	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)c1cnc2[nH]cnc2c1	763908994	HDQUKOQGKNLKBX-UHFFFAOYSA-N	282.303	1.936	10	20	CDCD	
CC[C@@H]1CN(Cc2c(O)cccc2OC)C[C@@H]1O	770380816	NPVFPINRFOTTPU-MFKMUULPSA-N	251.326	1.604	10	20	CDCD	
CCn1cc(CC(=O)N(C)Cc2ccccc2O)cn1	780900635	FKJCBVJLHCWAEE-UHFFFAOYSA-N	273.336	1.810	10	20	CDCD	
CCCN1CCCN(C(=O)c2cc(O)cs2)CC1=O	788592804	VUGIRLHPXIIGSU-UHFFFAOYSA-N	282.365	1.538	10	20	CDCD	
COc1cc(C)cc(CNCCOC[C@@H]2CCCO2)c1O	894268071	AMHUHPQKDAOWKN-AWEZNQCLSA-N	295.379	1.994	10	20	CDCD	
COc1ccc(CNC2CCN(OC)CC2)c(O)c1OC	894987763	PUEQSQMGFJDHPQ-UHFFFAOYSA-N	296.367	1.525	10	20	CDCD	
COc1ccc(CN[C@H]2CO[C@@H](C)C2)c(O)c1OC	895124274	NQTYGQKVKUOWKI-GXSJLCMTSA-N	267.325	1.676	10	20	CDCD	
COc1ccc(O)c([C@@H](C)N[C@@H](C)c2ncnn2C)c1	276525549	CEDRWAYUWNGIRO-ZJUUUORDSA-N	276.340	1.941	10	20	CDCD	
CCO[C@H](C)C(=O)NCc1ccc(OC)cc1O	794388447	URUUXSLKOGJOCR-SECBINFHSA-N	253.298	1.442	10	20	CDCD	
CC[C@](C)(OC)C(=O)OCC(=O)c1ccc(O)c(O)c1	796396945	NZOYBTRJFSHUKF-AWEZNQCLSA-N	282.292	1.639	10	20	CDCD	
COc1ccc(CNC(=O)c2cccnc2O)c(O)c1	794383492	POIJLWFUWQQRRB-UHFFFAOYSA-N	274.276	1.431	10	20	CDCD	
Nc1ccc(CCNC(=O)[C@@H]2[C@H]3CCCO[C@H]32)cc1	911782781	NDPUKTSNGZCJMS-MGPQQGTHSA-N	260.337	1.353	10	20	CDCD	
CCn1c(-c2sccc2O)nnc1N(C)OC	1339247852	QQHAFLZPUMMVNT-UHFFFAOYSA-N	254.315	1.730	10	20	CDCD	
CC[C@H](C)[C@@H](O)CNCc1ccc(OC)c(OC)c1O	1334951712	LKQAISYONXWKSS-JQWIXIFHSA-N	283.368	1.906	10	20	CDCD	
C[C@H](CCO)CCNC(=O)NCc1ccc(N)cc1	1353540983	ZVTTVORYQOETGU-NSHDSACASA-N	265.357	1.477	10	20	CDCD	
C[C@H](NC[C@]1(O)CCO[C@H]1C)c1cc(C(=O)O)ccc1O	1609780692	VFWLVRJPWAWINH-AMJWSMQMSA-N	295.335	1.281	10	20	CDCD	
O=C(O)C[C@]1(NCc2cc(F)ccc2O)CCOC1	1601936046	GUUHIRQCJCNNMY-CYBMUJFWSA-N	269.272	1.255	10	20	CDCD	
Cn1cc(CCSc2ncc(C(=O)O)s2)cn1	1608109681	KHBGJUYPWSTXDQ-UHFFFAOYSA-N	269.351	1.910	10	20	CDCD	
CS[C@H](CO)[C@@H](C)N[C@H](C)c1cc(C(=O)O)ccc1O	1607390173	QXHAMPJMSWCOCU-JRKPZEMJSA-N	299.392	1.853	10	20	CDCD	
C[C@@H](N[C@H](CCO)C1CC1)c1cc(C(=O)O)ccc1O	1604326885	UMGCTJSCLGGMHL-NOZJJQNGSA-N	279.336	1.902	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N1CC2CC1(C(=O)O)C2	1601238779	NMYLQLYBIJFDJW-RQOWECAXSA-N	289.287	1.187	10	20	CDCD	
Cn1nccc1[C@@H](NCc1cc(F)ccc1O)C(=O)O	1605567355	DDEAKWJDIMVKDF-GFCCVEGCSA-N	279.271	1.180	10	20	CDCD	
C[C@H]1CN(CC(C)(C)O)CCN1Cc1ccc(N)cc1	1576801320	RXWJKHPGWDCCKG-ZDUSSCGKSA-N	277.412	1.546	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1[C@H]2CNC[C@H]21	843488107	QZEAVBYLYGFUEV-FICVDOATSA-N	273.380	1.176	10	20	CDCD	
CN(C(=O)[C@H]1CCc2nccn2C1)c1ccc(N)cc1	877074381	IITCGKQKLKQCMQ-NSHDSACASA-N	270.336	1.691	10	20	CDCD	
C[C@@H](C(=O)NCCc1ccc(N)cc1)n1cccn1	63129707	JOZVYBGAZNNTJF-NSHDSACASA-N	258.325	1.385	10	20	CDCD	
CCn1ccnc1CNCc1ccc(OC)cc1O	385165214	FPPQAGQXVZLEHS-UHFFFAOYSA-N	261.325	1.907	10	20	CDCD	
C[C@@H](NCc1cnn(C)n1)c1ccc(N(C)C)cc1	389812773	IVCFXALLJIFFTH-LLVKDONJSA-N	259.357	1.732	10	20	CDCD	
CCOCCO[C@@H](C)C(=O)NCc1ccc(N(C)C)cc1	57438908	VZMUYPKVSPLENI-ZDUSSCGKSA-N	294.395	1.810	10	20	CDCD	
Cc1cc(C)c(O)c(CN(C)CC(=O)NC(C)C)c1	111952385	KIGQBZGWMYRICT-UHFFFAOYSA-N	264.369	1.965	10	20	CDCD	
COc1cc(CN2CCO[C@@H](C)C2)c(O)cc1C	179435233	MTKVUAXAZATRSY-NSHDSACASA-N	251.326	1.930	10	20	CDCD	
CCNC(=O)N1CCN(Cc2cccc(OC)c2O)CC1	121594852	XGGWGAKCAWYKNH-UHFFFAOYSA-N	293.367	1.248	10	20	CDCD	
COC(C)(C)CNC(=O)N(C)Cc1ccccc1O	74790166	KFQDHYKRXSMEPB-UHFFFAOYSA-N	266.341	1.959	10	20	CDCD	
C[C@@H](N[C@H]1CC(=O)N(C2CC2)C1)c1cc(F)ccc1O	186089441	VKHHEXYKRRDSKY-KOLCDFICSA-N	278.327	1.945	10	20	CDCD	
CCN(CCCN(C)C)C(=O)/C=C/c1ccc(O)c(O)c1	188959413	VWHWHPULVSVJRS-VQHVLOKHSA-N	292.379	1.911	10	20	CDCD	
CC(C)C[C@@H]1C(=O)NCCN1Cc1ccccc1O	188920205	PMJUVKLSFCYRNO-CYBMUJFWSA-N	262.353	1.739	10	20	CDCD	
COc1ccc(O)c(CN2CCNC(=O)C2(C)C)c1	180050934	GRSRPJMHNCGSGV-UHFFFAOYSA-N	264.325	1.111	10	20	CDCD	
O=C(N[C@H](CO)Cc1ccccc1)c1cccc(O)c1O	126619881	KBRWBYJFONUXMK-LBPRGKRZSA-N	287.315	1.431	10	20	CDCD	
NC(=O)CC[C@H]1CCCN(C(=O)c2cccc(O)c2O)C1	193008798	FUMIFELKFBIJFC-SNVBAGLBSA-N	292.335	1.216	10	20	CDCD	
COC[C@@H](CNCc1ccc(OC)c(C)c1)OC	227708116	LSOCNADXCUCPAD-CYBMUJFWSA-N	253.342	1.755	10	20	CDCD	
CC[C@@H](N)C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1	130604806	AJHLDVZQILQGCF-CYBMUJFWSA-N	295.358	1.220	10	20	CDCD	
Cc1cc(O)c(CN[C@H]2C(=O)NCC[C@@H]2C)cc1C	193674542	LVPQLTGFFHQNIK-LKFCYVNXSA-N	262.353	1.623	10	20	CDCD	
CC[C@H](NC[C@]1(O)CCOC1)c1ccc(N(C)C)cc1	90849154	FXUXGCFOHNKQEB-JKSUJKDBSA-N	278.396	1.945	10	20	CDCD	
COc1cccc(CNCCC[C@H](C)CO)c1O	230160470	PNBLDFZUMZOITF-NSHDSACASA-N	253.342	1.899	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNC[C@H]2CCOC2)c1O	278935110	WVBLPUZXIWTTEC-SECBINFHSA-N	282.296	1.435	10	20	CDCD	
COC[C@@H]1CN(C(=O)c2ccc(C)c(O)c2O)C[C@@H](C)O1	276117631	XYPPWJQKEUDZKZ-MNOVXSKESA-N	295.335	1.282	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)[C@@H](C)CN	285659348	IUITUKHJOIFSOV-NSHDSACASA-N	250.342	1.726	10	20	CDCD	
CNS(=O)(=O)[C@H]1CCCN(Cc2cc(C)ccc2O)C1	371325224	CMALCPNUIGCNCF-ZDUSSCGKSA-N	298.408	1.214	10	20	CDCD	
C[C@H](O)CN1CCN(Cc2cc(F)ccc2O)[C@H](C)C1	284278510	HKNBGAHIQMJJRL-NEPJUHHUSA-N	282.359	1.418	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@H](NC(N)=O)C(C)(C)C	283371594	JMSUZOIRITTWKW-LBPRGKRZSA-N	293.367	1.434	10	20	CDCD	
CN(C)C(=O)CN(Cc1ccc(N(C)C)cc1)C1CC1	298694461	FGEJWOCJWBWFFH-UHFFFAOYSA-N	275.396	1.805	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CC[C@H]1C(=O)O	397311232	OGIRBDNROYNUJD-UONOGXRCSA-N	290.363	1.822	10	20	CDCD	
C[C@H](NC[C@@H](N)c1ccc(N(C)C)cc1)[C@@H]1CCCN1	817942969	SGSPMQDMOTWIIR-MAZHCROVSA-N	276.428	1.483	10	20	CDCD	
COC[C@H](C)[C@H](C)C(=O)OCC(=O)c1ccc(O)c(O)c1	812627221	RUJSIWKLNLKSLC-UWVGGRQHSA-N	296.319	1.742	10	20	CDCD	
CC(C)(CCC(=O)O)NC(=O)/C=C\c1ccc(O)c(O)c1	819940551	PAWXAGIADZXGDL-XQRVVYSFSA-N	293.319	1.871	10	20	CDCD	
COC(=O)c1nccnc1NCc1ccc(N(C)C)cc1	825534112	FNNQDODMQVDCJB-UHFFFAOYSA-N	286.335	1.941	10	20	CDCD	
O=C1[C@H](NCc2ccc3c(c2)CCO3)C[C@@H]2CCCCN12	835072303	FLBZHHUHDFBIOY-LSDHHAIUSA-N	286.375	1.865	10	20	CDCD	
CCO[C@H]1C[C@@](N)(C(=O)Nc2ccc(N)cc2)C1(C)C	832244807	XEUDTKZUASTPSH-SWLSCSKDSA-N	277.368	1.740	10	20	CDCD	
CCC1(CNC(=O)N(C)Cc2ccccc2O)COC1	838698380	UXBYAXNDZFWQSY-UHFFFAOYSA-N	278.352	1.960	10	20	CDCD	
CCOCCCC(=O)NC[C@H](N)c1ccc(N(C)C)cc1	832300424	VNPNWTVSAIBTBG-HNNXBMFYSA-N	293.411	1.685	10	20	CDCD	
C[C@@H](N[C@@H]1CCC[C@H]1O)c1cc([N+](=O)[O-])ccc1O	834913606	IETUBHOWXKOXEU-XTWCZFFVSA-N	266.297	1.864	10	20	CDCD	
O=C(NCCCOC[C@@H]1CCOC1)c1cc(O)cs1	740928993	WLRIOBYOJLZRMN-JTQLQIEISA-N	285.365	1.627	10	20	CDCD	
CNC(=N)NCc1ccc(N2CCSCC2)cc1	848993590	OKRQXWUWTONEIA-UHFFFAOYSA-N	264.398	1.484	10	20	CDCD	
C[C@H](N)[C@@H]1CCCCN1C(=O)NCCc1ccc(N)cc1	841955610	HYNVIMLIVJIVJE-WFASDCNBSA-N	290.411	1.723	10	20	CDCD	
COC[C@H](C)NC(=N)NCc1cc(Cl)ccc1O	849048919	NHBWNVLBKVBPTQ-QMMMGPOBSA-N	271.748	1.694	10	20	CDCD	
COC(=O)[C@@H]1C[C@@H](O)CN(Cc2cc(Cl)ccc2O)C1	843434077	HILLEPDRPNYLKJ-ZYHUDNBSSA-N	299.754	1.401	10	20	CDCD	
NC(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1O	846476127	LEFJXUXXGQRIOE-JTQLQIEISA-N	297.742	1.205	10	20	CDCD	
CCO[C@H]1CCCN(C(=O)C(=O)Nc2ccc(N)cc2)C1	841021564	YCQGRZMCCHTBEI-ZDUSSCGKSA-N	291.351	1.235	10	20	CDCD	
COc1cc(Cl)cc(CNCCN2CCNCC2)c1O	841045079	NHEJBOYUYUBJRK-UHFFFAOYSA-N	299.802	1.049	10	20	CDCD	
CN1CCC(O)(CNCc2ccc3c(c2)CCCO3)CC1	921768778	BOQSPLHYNINOPQ-UHFFFAOYSA-N	290.407	1.558	10	20	CDCD	
CCC(=O)COC(=O)/C=C/c1ccc(O)c(O)c1	759588554	MKHHNKONYMODFM-GQCTYLIASA-N	250.250	1.633	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)NC1CC1	753872505	RJZUZAKSIUHBBY-UHFFFAOYSA-N	297.424	1.571	10	20	CDCD	
CC[S@](=O)CCNC(=O)NCc1cc(C)ccc1O	858228478	GXWVEONPCJQIRH-IBGZPJMESA-N	284.381	1.268	10	20	CDCD	
CCN(C)c1ccc(CNC2(C(N)=O)CCOCC2)cc1	852493565	QBMBZKGIZZMWPW-UHFFFAOYSA-N	291.395	1.267	10	20	CDCD	
CC[C@H](NC)C(=O)NCc1ccc(N2CCCC2)cc1	852786324	VKFVKMXEILNPMB-HNNXBMFYSA-N	275.396	1.901	10	20	CDCD	
CC(C)CCNC(=O)[C@H](C)OC(=O)c1cccc(O)c1O	758574003	XXXZGELTNZURCX-JTQLQIEISA-N	295.335	1.805	10	20	CDCD	
CCC[C@@H](C)NC(=O)[C@@H](C)OC(=O)c1cccc(O)c1O	758562418	RGBGEHZMLGMVOM-NXEZZACHSA-N	295.335	1.948	10	20	CDCD	
COC[C@H](C)NC(=S)N[C@H](C)c1ccccc1O	865269706	XEIQEYPDWYPTAF-VHSXEESVSA-N	268.382	1.952	10	20	CDCD	
CC1=CCN(C(=O)C(=O)N(C)Cc2ccccc2O)CC1	1117875419	PPYINYUWTKSCOJ-UHFFFAOYSA-N	288.347	1.529	10	20	CDCD	
CCOc1ccc(CN(C)CC(=O)N2CCCC2)c(O)c1	768215716	XCOSRHNWFUYABH-UHFFFAOYSA-N	292.379	1.845	10	20	CDCD	
CCOc1ccc(CN(C)CCN2CCCC2=O)c(O)c1	769391207	ZZJZPXVNFVCXFG-UHFFFAOYSA-N	292.379	1.845	10	20	CDCD	
Cc1ccc(CNC[C@@H](O)CN2CCCC2)c(O)c1	876966142	NUZFDKDBJJHJSR-CQSZACIVSA-N	264.369	1.247	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1C[C@H]2COC[C@H]2C1	872317621	ADNBCOSVGZTPHI-IOHUUBCKSA-N	275.304	1.216	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C1(C(=O)O)CC1	777853758	SUTAXNUFSFZAQM-UHFFFAOYSA-N	290.363	1.966	10	20	CDCD	
CCOc1ccc(N(C)C[C@@H](O)CO[C@H](C)COC)cc1	773753610	LKXGZNBULQSYJB-UKRRQHHQSA-N	297.395	1.934	10	20	CDCD	
Cc1nc[nH]c1CC(=O)NCCc1ccc(N)cc1	876527415	DJXCSVDRKXGVOX-UHFFFAOYSA-N	258.325	1.202	10	20	CDCD	
C[C@H](NC(=O)[C@@H]1C[C@@H]1C(=O)O)c1ccc(N(C)C)cc1	872859860	VCIYKGPCFHMIQR-BIMULSAOSA-N	276.336	1.651	10	20	CDCD	
C[C@H]1C[C@H](N[C@@H]2CCOC[C@H]2O)c2c(O)ccc(F)c21	872141220	QYQDHCQDEOQGLF-UIMWLRQOSA-N	281.327	1.819	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1C(=O)CN(C)C1=O	777656154	QSVKKJKURTWFCO-UHFFFAOYSA-N	261.325	1.455	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)c1cccc2nc[nH]c12	778919335	ZISSTLLQUQXVKA-UHFFFAOYSA-N	283.287	1.904	10	20	CDCD	
Cc1cc(Cn2cc(CCO)nn2)ccc1N(C)C	881378193	IAJUEWBCWQSMQE-UHFFFAOYSA-N	260.341	1.236	10	20	CDCD	
Cn1nc(CNC(=O)c2cccc(O)c2O)cc1C1CC1	885908136	ZBMVKKZROQAWNP-UHFFFAOYSA-N	287.319	1.639	10	20	CDCD	
CCn1cc(CC(=O)NCc2cccc(OC)c2O)cn1	780935942	PIEXJZLGDGYURY-UHFFFAOYSA-N	289.335	1.476	10	20	CDCD	
COC(=O)[C@H](CC(F)F)NCc1cc(OC)ccc1O	789583163	VXGUYYRFTLUFKQ-JTQLQIEISA-N	289.278	1.687	10	20	CDCD	
O=S(=O)(C[C@@H]1CCCO1)Nc1ccc(O)cc1F	85203940	WQRAMHYGZVWYMR-VIFPVBQESA-N	275.301	1.452	10	20	CDCD	
COc1cc(C)cc(CNCCNC(=O)C(C)(C)C)c1O	894244189	DTHAJLQIMLQYCU-UHFFFAOYSA-N	294.395	1.961	10	20	CDCD	
COC(=O)[C@@H]1[C@H]2CN(Cc3cc(F)cc(F)c3O)C[C@H]21	894842164	QRJCBQUALAEFPF-IAZYJMLFSA-N	283.274	1.521	10	20	CDCD	
COc1cc(C)cc(CN[C@H](CO)[C@H]2CCCOC2)c1O	894993868	KYCUYIOFTVGFPK-GXTWGEPZSA-N	295.379	1.586	10	20	CDCD	
CN(C)c1ccc(CNC(=O)Cc2cnc[nH]2)cc1	899983879	UMVOMNDPIHJGNM-UHFFFAOYSA-N	258.325	1.335	10	20	CDCD	
Cn1nccc1CCNCc1cc(F)cc(F)c1O	708494021	CQVSVKWVRQPMNK-UHFFFAOYSA-N	267.279	1.736	10	20	CDCD	
CCOc1ccc(CN2C[C@@H](O)C(C)(C)C2)c(O)c1	790936366	FDTKYAGVEXVDOC-CQSZACIVSA-N	265.353	1.994	10	20	CDCD	
CC[C@@H](NCC(=O)N1CCOCC1)c1ccc(C)cc1O	794817939	RMTKMGLLFFQFJM-CQSZACIVSA-N	292.379	1.600	10	20	CDCD	
C[C@H](C(=O)NCCc1ccc(O)c(O)c1)C(F)(F)F	762262182	UMWPUXIRFGNWCZ-SSDOTTSWSA-N	277.242	1.955	10	20	CDCD	
CC[C@H](CCO)CNCc1cc2c(cc1O)OCO2	94948830	QUYKXEIJXHYWBL-SNVBAGLBSA-N	267.325	1.619	10	20	CDCD	
O=C(N[C@@H]1CCn2ccnc2C1)c1cccc(O)c1O	790943832	SJVYFVWVRZUBOJ-SECBINFHSA-N	273.292	1.039	10	20	CDCD	
COc1ccc(CNc2ncnc3nc(N)ccc23)c(O)c1	1321112101	DWYJEDKHZVEEKF-UHFFFAOYSA-N	297.318	1.933	10	20	CDCD	
COC[C@@H](C)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	1335133218	FLWUIGOVFKFZSF-CJNGLKHVSA-N	279.428	1.980	10	20	CDCD	
CN(C)c1ccc(CN[C@@H](C(=O)O)C2CCOCC2)cc1	1262157766	NPZREZLUSSFZCQ-OAHLLOKOSA-N	292.379	1.722	10	20	CDCD	
O=C(NCc1cccc(O)c1O)[C@@H]1C[C@@]12CCOC2	1347232821	CFCPWZVBRFJGLU-IINYFYTJSA-N	263.293	1.141	10	20	CDCD	
Cn1ccnc1CCNC(=O)/C=C\c1ccc(O)c(O)c1	1349266016	XHLXHLLVANXJLM-HYXAFXHYSA-N	287.319	1.203	10	20	CDCD	
O=C(Nc1n[nH]cc1C(=O)O)c1cc(O)cs1	1605872912	FGMIQFQBODJBMX-UHFFFAOYSA-N	253.239	1.127	10	20	CDCD	
C[C@H](NC[C@@H]1CNCCCO1)c1cc(C(=O)O)ccc1O	1604338460	OKXNQVKLCZSEEH-JQWIXIFHSA-N	294.351	1.120	10	20	CDCD	
Cc1cc(O)c(CN2CCC[C@@H](O)[C@@H]2C(=O)O)cc1C	1607700317	VPSLZVJRULIJHL-TZMCWYRMSA-N	279.336	1.419	10	20	CDCD	
C[C@H](NCc1cc(F)ccc1O)C(=O)NC(C)(C)C	226586539	WPSDGLPXTJRYMJ-VIFPVBQESA-N	268.332	1.924	10	20	CDCD	
CC(=O)C(=O)COC(=O)c1cc(C(=O)O)ccc1Cl	1589021771	VMOLOARSWWCHMF-UHFFFAOYSA-N	284.651	1.353	10	20	CDCD	
CCN(C)c1ccc(CN2C[C@@H](O)C[C@H](C(=O)O)C2)cc1	1596194500	OAZWIRANUSEWES-ZFWWWQNUSA-N	292.379	1.410	10	20	CDCD	
CCOc1cccc(CNCCCC(=O)O)c1O	37418279	ABQHPMNUNMWFBV-UHFFFAOYSA-N	253.298	1.745	10	20	CDCD	
C[C@@H](C[S@](C)=O)NCc1ccc(N2CCOCC2)cc1	168190806	QUIQUUHYYHMTPB-RNODOKPDSA-N	296.436	1.380	10	20	CDCD	
COCC(C)(C)CNCc1cc2c(cc1O)OCO2	291673193	GTZHCULEABGIQI-UHFFFAOYSA-N	267.325	1.883	10	20	CDCD	
COc1cccc(CN[C@@H](CO)CC(F)F)c1O	717754986	MHMXNWBTXKELDA-SECBINFHSA-N	261.268	1.507	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2ccc(=O)[nH]c2)cc1F	58731613	JKWGQASSMYODAD-UHFFFAOYSA-N	289.310	1.510	10	20	CDCD	
O=C(CSc1nccs1)N[C@H]1CCSC1=O	173330951	FWCMYWOSQKQXTL-LURJTMIESA-N	274.392	1.384	10	20	CDCD	
Cc1cc(C(=O)N(C)CC(N)=O)c(C)n1-c1ccccc1	60565287	GXLCUVQWXZRIDT-UHFFFAOYSA-N	285.347	1.651	10	20	CDCD	
CCNC(=O)[C@@H](C)N[C@H](C)c1ccc(F)cc1O	62745938	IQPZNEMIJJTMKQ-RKDXNWHRSA-N	254.305	1.707	10	20	CDCD	
CC[C@H]1CO[C@H](C)CN1C(=O)c1cccc(O)c1O	126283942	KAMSWSGQRUHKMZ-ZJUUUORDSA-N	265.309	1.737	10	20	CDCD	
Cc1cccc(CN(C)CCS(C)(=O)=O)c1O	124537323	URNIWDADBODLSJ-UHFFFAOYSA-N	257.355	1.177	10	20	CDCD	
CC(C)S(=O)(=O)CC(=O)N(C)Cc1ccccc1O	79621563	ITTUFHUHJPHUAK-UHFFFAOYSA-N	285.365	1.174	10	20	CDCD	
COc1cccc(CNC[C@H]2CC[C@@H](O)C2)c1O	188803142	KBZISXDMIGMWOM-CMPLNLGQSA-N	251.326	1.651	10	20	CDCD	
Oc1ccccc1CN1CCN(C2CCOCC2)CC1	180186610	YFCDNBBFVOJVSJ-UHFFFAOYSA-N	276.380	1.689	10	20	CDCD	
CCOC(=O)[C@H](C)CNC(=O)Cc1ccc(N)cc1	236960549	MFXFHFLBZBPCIR-SNVBAGLBSA-N	264.325	1.127	10	20	CDCD	
COC(=O)[C@H](NC(=O)c1ccc(C)c(O)c1O)C(C)C	267634548	XWZMGUBPOITTDF-SNVBAGLBSA-N	281.308	1.334	10	20	CDCD	
CC(C)OCCNC(=O)NCc1ccccc1O	273548577	XAMZFQXCHQXSIJ-UHFFFAOYSA-N	252.314	1.616	10	20	CDCD	
CC[C@H](C(N)=O)N1CCCN(c2ccc(OC)cc2)CC1	361597023	JTZZAYOCNAUZFJ-OAHLLOKOSA-N	291.395	1.471	10	20	CDCD	
COCC[C@@](C)(O)CN[C@H](C)c1cc([N+](=O)[O-])ccc1O	273562161	IHVCMFXPFBEUHW-QMTHXVAHSA-N	298.339	1.739	10	20	CDCD	
COc1ccc(N2CCN(C(=O)CC(C)(C)O)CC2)cc1	279912556	JWKITHNCTMZWFI-UHFFFAOYSA-N	292.379	1.505	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC[C@H](CO)[C@H]2CCOC2)c1	280427681	BORYMTDDPCPHBA-RWMBFGLXSA-N	295.379	1.696	10	20	CDCD	
CN(C)c1ccc(CNC(=O)C(=O)NCC2CCC2)cc1	283329209	CLIOGSQUDLLBER-UHFFFAOYSA-N	289.379	1.285	10	20	CDCD	
CNCCC(=O)N1CCOc2cc(N(C)C)ccc21	285982854	HWPYMSODIUIHGP-UHFFFAOYSA-N	263.341	1.088	10	20	CDCD	
CCCCN(CC(=O)NC)Cc1ccccc1O	282497123	QLAFZEORHUUXEM-UHFFFAOYSA-N	250.342	1.740	10	20	CDCD	
CC(=O)C(=O)CSc1nnc(-c2ccco2)n1C	288304929	CIHHJKNHEUKWCJ-UHFFFAOYSA-N	265.294	1.325	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)c1cc([N+](=O)[O-])cn1C	383770097	ULTPSUPERLZNDP-UHFFFAOYSA-N	289.291	1.911	10	20	CDCD	
COc1cccc(CN2CCC[C@](F)(CO)C2)c1O	289915163	VIUPPOQYGYAAJX-CQSZACIVSA-N	269.316	1.697	10	20	CDCD	
CSC1(CNC(=O)c2c(F)ccc(O)c2O)CC1	295335062	XMISFLYPRWZGDL-UHFFFAOYSA-N	271.313	1.862	10	20	CDCD	
CSc1ccc(C(=O)OCC(=O)C(C)=O)cc1[N+](=O)[O-]	808485836	ZLHJKKRUMAWODI-UHFFFAOYSA-N	297.288	1.632	10	20	CDCD	
Cc1ccc(O)c([C@H](C)NC[C@@H]2CNCCCO2)c1	817982657	VDIHBIODSMEJPY-STQMWFEESA-N	264.369	1.730	10	20	CDCD	
COC(=O)NC1CCN(Cc2ccccc2O)CC1	827933716	CVCLVYQIDJQSGP-UHFFFAOYSA-N	264.325	1.713	10	20	CDCD	
COc1ccc(N2CCC(NC(=O)[C@H]3CCN3)CC2)cc1	828353316	MLJXLKDCEJMJJZ-OAHLLOKOSA-N	289.379	1.142	10	20	CDCD	
CCOc1ccc(CN2CC[C@@](CO)(COC)C2)c(O)c1	825158092	DJULGPKYUFTOFR-MRXNPFEDSA-N	295.379	1.622	10	20	CDCD	
CCN(CC)c1ccc(CN[C@H](C(=O)O)[C@@H](C)O)cc1F	904043049	OQZIAHJMXOEXIG-YGRLFVJLSA-N	298.358	1.596	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1CCO[C@H](CC(=O)O)C1	901500615	COSHJDVEMJGULZ-OAHLLOKOSA-N	292.379	1.737	10	20	CDCD	
C/C=C(/C)C(=O)N(CC(=O)O)Cc1ccccc1O	911485724	KGQGGMUVKYXFNO-KMKOMSMNSA-N	263.293	1.772	10	20	CDCD	
CC[C@H](C(=O)O)C(=O)NCc1ccc(N(C)C)c(F)c1	911299836	AGTYTBYENZBSLH-JTQLQIEISA-N	282.315	1.619	10	20	CDCD	
COCC1(C)CN(Cc2cc(OC)c(OC)cc2O)C1	839142786	AYIHPRIMJDRORO-UHFFFAOYSA-N	281.352	1.878	10	20	CDCD	
CC[C@H](O)[C@H](C)C(=O)NCc1cc(C)ccc1O	913000295	GLLOZUCPTPLPCY-JQWIXIFHSA-N	251.326	1.724	10	20	CDCD	
COC1CCC(C(=O)NCc2ccc(O)cc2O)CC1	910947650	ILCDZSAEPQKMIV-UHFFFAOYSA-N	279.336	1.919	10	20	CDCD	
COc1cccc(O)c1CNC[C@](C)(O)c1ccco1	742375138	IUTVJDCZHJEHRM-HNNXBMFYSA-N	277.320	1.991	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)N[C@H]1CCCN(C)C1=O	748664431	KEJWHHBDRXXOGS-LBPRGKRZSA-N	291.351	1.154	10	20	CDCD	
CN(CC(C)(C)C)C(=O)C(=O)Nc1ccc(N)cc1	841028141	BJJVMPSYNANDCZ-UHFFFAOYSA-N	263.341	1.712	10	20	CDCD	
CC(=O)C(=O)Cn1ccnc1[C@H](O)C1CCCCC1	849951573	ROEOGNBSRFSLSO-CYBMUJFWSA-N	264.325	1.655	10	20	CDCD	
C[C@H](CCN)NC(=O)NCc1ccc(N2CCCC2)cc1	841709086	APTNYPHHFZGXPR-CYBMUJFWSA-N	290.411	1.823	10	20	CDCD	
C[C@@H](N)[C@@H]1CCN(Cc2ccc(N3CCOCC3)cc2)C1	843058706	WVENNANUNGTFAJ-GDBMZVCRSA-N	289.423	1.692	10	20	CDCD	
Oc1ccccc1CNC(=S)NC[C@H]1CCOC1	749687558	PKLRDBGVYRQLLZ-SNVBAGLBSA-N	266.366	1.393	10	20	CDCD	
CC(C)[C@@H](CO)NC(=O)NCCc1ccc(N)cc1	841959676	ZLTNEPWTERZKGI-CYBMUJFWSA-N	265.357	1.127	10	20	CDCD	
CCO[C@@H]1COC[C@H]1NC(=O)Nc1ccc(N)cc1	841298636	RJDJIWQCTYVHJU-VXGBXAGGSA-N	265.313	1.194	10	20	CDCD	
C[C@@H](N)CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1	841881092	NYAOSAQWXRTEOC-GHMZBOCLSA-N	264.373	1.460	10	20	CDCD	
COC[C@H](C)CC(=O)NCc1cc(OC)ccc1O	755802578	DYPJFUSCOJCLPU-SNVBAGLBSA-N	267.325	1.690	10	20	CDCD	
CC[C@H](CN1CCOCC1)NCc1ccc(N(C)C)cc1	922591195	QNKSJNPACOQMGK-MRXNPFEDSA-N	291.439	1.953	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)OCC(=O)c1ccc[nH]1	759595931	SFFHPUZBQPJTAL-GQCTYLIASA-N	287.271	1.865	10	20	CDCD	
Cc1nn(C)c2c1N(C(=O)c1cccc(O)c1O)CCO2	866523505	DMCYSWKFDFHQJS-UHFFFAOYSA-N	289.291	1.179	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H]1CCN(C)C1	935945953	QZTQBELCCQKMHC-NSHDSACASA-N	283.368	1.446	10	20	CDCD	
COC(=O)C[C@]1(NCc2cc(Cl)ccc2O)CCOC1	766469085	NMLYPWTYOVJJBJ-CQSZACIVSA-N	299.754	1.857	10	20	CDCD	
COC(=O)[C@H](C)CN(C)Cc1c(O)cccc1OC	768883032	WXRPVFINYBZMFN-SNVBAGLBSA-N	267.325	1.642	10	20	CDCD	
CC1(C)[C@H]2CN(Cc3cc4c(cc3O)OC[C@@H]4O)C[C@H]21	768466518	RDTDHPJYHZSPCV-SCRDCRAPSA-N	275.348	1.906	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)CN(C)C1CCC1	863859152	MDFBSLMGKOVTSD-UHFFFAOYSA-N	262.353	1.835	10	20	CDCD	
CCC1(O)CCN(Cc2cc3c(cc2O)OC[C@@H]3O)CC1	768465330	GZKQWZIVNPVQGU-AWEZNQCLSA-N	293.363	1.555	10	20	CDCD	
CN1CCCc2cc(CNC(=O)[C@@]3(N)CC3(F)F)ccc21	870875859	MBACEDSAFHHANW-AWEZNQCLSA-N	295.333	1.422	10	20	CDCD	
CCn1cnc2c1CCN(C(=O)c1cc(O)cs1)C2	886613599	YKIBEFFKYDBUJV-UHFFFAOYSA-N	277.349	1.869	10	20	CDCD	
O=C(NCc1cccc(O)c1)c1c(F)ccc(O)c1O	789979394	FRDOPLKMJQZOLL-UHFFFAOYSA-N	277.251	1.873	10	20	CDCD	
CCOc1ccc(O)c(CN2CC(=O)N(C)C[C@H]2C)c1	783730649	UEQSNPGVBPRCAT-LLVKDONJSA-N	278.352	1.453	10	20	CDCD	
C[C@H](NCc1cc(Cl)cc(F)c1O)C(=O)N(C)C	792193730	ZCTDNERUUDYVSY-ZETCQYMHSA-N	274.723	1.751	10	20	CDCD	
OCCCN(CCO)Cc1c(O)ccc(Cl)c1F	792168052	ZWLXGWWXTJTRFI-UHFFFAOYSA-N	277.723	1.361	10	20	CDCD	
CC[C@H]1CN(Cc2cc3c(cc2O)OC[C@@H]3O)CCCO1	799163881	OAMDSFCUXKIHLJ-WFASDCNBSA-N	293.363	1.819	10	20	CDCD	
COc1ccc(CNC(=O)c2ccncc2)c(O)c1	794384118	VZRDXYGDOUKRSS-UHFFFAOYSA-N	258.277	1.726	10	20	CDCD	
CCOc1cc(O)ccc1NS(=O)(=O)N(C)C	790409722	WANVPBFDYKIYNJ-UHFFFAOYSA-N	260.315	1.009	10	20	CDCD	
CCc1cnccc1CNC(=O)c1cccc(O)c1O	790922537	OZBHVSMCKMXVRM-UHFFFAOYSA-N	272.304	1.985	10	20	CDCD	
CC[C@@H]1CO[C@@H](C)CN1C(=O)NCc1ccc(N)cc1	1262604601	XPYNMZDFRLAOAA-SMDDNHRTSA-N	277.368	1.978	10	20	CDCD	
Nc1ccc(CNC(=O)N[C@@H](CO)CC(F)F)cc1	1357792055	RZZQFNYUDHFTEH-SNVBAGLBSA-N	273.283	1.084	10	20	CDCD	
Cc1ccc(C(=O)N[C@H]2C[C@@H](C(=O)O)[C@@H]3C[C@H]23)c(O)c1O	1600342007	GLOSHUYPABYDNX-YTWAJWBKSA-N	291.303	1.245	10	20	CDCD	
Cc1ccc(-c2nn[nH]n2)c(NCc2cc(O)ccc2O)n1	1605785970	SNAHSTPREIXXRN-UHFFFAOYSA-N	298.306	1.593	10	20	CDCD	
Cc1cccc(CN2CC[C@@]3(CC(C(=O)O)=NO3)C2)c1O	1607850863	QCQSXCGWNXHMGR-OAHLLOKOSA-N	290.319	1.506	10	20	CDCD	
COc1cc(C)cc(CN[C@H]2CCO[C@H]2C(=O)O)c1O	1607149338	JCJLFKRYRAWLIQ-GXFFZTMASA-N	281.308	1.041	10	20	CDCD	
COc1cccc(CNCc2ccoc2C(=O)O)c1O	1610357351	GUQRUDRMMKQRPL-UHFFFAOYSA-N	277.276	1.982	10	20	CDCD	
NCc1ccc(C(=O)NCc2c(O)cccc2O)o1	1580336724	KIVTVHDBTPNGLQ-UHFFFAOYSA-N	262.265	1.080	10	20	CDCD	
C[C@@]1(C(=O)O)CCCN(C(=O)c2cc(O)cs2)C1	1593772900	LZLXCTNEOBEGAI-GFCCVEGCSA-N	269.322	1.781	10	20	CDCD	
CCN(C)c1ccc(CN2C[C@H]3[C@@H](C2)[C@@H]3C(=O)O)cc1	1596194179	DRZPQNJUSYZMJW-FICVDOATSA-N	274.364	1.905	10	20	CDCD	
COc1cccc(CNc2cncc(C(=O)O)n2)c1O	1599675507	HLGKUTZZOGDZPH-UHFFFAOYSA-N	275.264	1.501	10	20	CDCD	
COc1ccc2c(c1)CCN2[C@@H](C(=O)O)[C@@H](C)OC	1777373319	KUBOHTQXNHWHPD-NOZJJQNGSA-N	265.309	1.546	10	20	CDCD	
C[C@@H](CNCc1ccc(N(C)C)cc1)CC(=O)O	1776425288	IGYGAXOSAHCUEW-LLVKDONJSA-N	250.342	1.953	10	20	CDCD	
CCN(CC(=O)NCCc1ccc(O)c(O)c1)C1CC1	159819653	XPODGBRYMPGVJW-UHFFFAOYSA-N	278.352	1.241	10	20	CDCD	
COc1ccc(CN[C@]2(CO)CCOC2)cc1C	273468947	IVXQPMAYVOAWPD-AWEZNQCLSA-N	251.326	1.245	10	20	CDCD	
C[C@H](NCc1nnnn1C)c1ccc(N(C)C)cc1	389312561	VCKGVTYRAVSPNQ-JTQLQIEISA-N	260.345	1.127	10	20	CDCD	
Cc1ccc(O)c(CN[C@@H](CO)C[C@H]2CCCO2)c1	886225834	CIDIRKCLKDEAGU-ZIAGYGMSSA-N	265.353	1.720	10	20	CDCD	
COCC(=O)N1CCOc2cc(N(C)C)ccc21	173203244	OSQIPDCJMZBODC-UHFFFAOYSA-N	250.298	1.124	10	20	CDCD	
Oc1cccc(Cl)c1CNCCc1nnc[nH]1	119082191	BYJJUHAUDNMPCD-UHFFFAOYSA-N	252.705	1.496	10	20	CDCD	
COCCC1(C(=O)NCCc2ccc(O)c(O)c2)CC1	122931240	DIUIZULDWILOSQ-UHFFFAOYSA-N	279.336	1.573	10	20	CDCD	
Cc1ccc(C(=O)N[C@H]2CCC[C@H]2CCO)c(O)c1O	187839968	HOZZRHICZRWUEX-JQWIXIFHSA-N	279.336	1.687	10	20	CDCD	
CC(C)S(=O)(=O)CC(=O)Nc1ccc(N)cc1	37686040	LGZGEAHOAFETAJ-UHFFFAOYSA-N	256.327	1.031	10	20	CDCD	
COC(=O)CN(Cc1ccccc1O)C[C@@H]1CCCO1	72952761	ZNDJHEPVZMZRKK-ZDUSSCGKSA-N	279.336	1.546	10	20	CDCD	
O=C(NCc1ccccc1O)c1cnn(-c2ccccc2)n1	317803547	HIUQUPPJOPGJBO-UHFFFAOYSA-N	294.314	1.903	10	20	CDCD	
C[C@@H]1CCS(=O)(=O)CCN1Cc1ccccc1O	192057698	XPDUVLABFVYJKX-LLVKDONJSA-N	269.366	1.401	10	20	CDCD	
CCN(C[C@H]1CCS(=O)(=O)C1)c1ccc(OC)cc1	279847870	ATWZHHNRSHYTCT-GFCCVEGCSA-N	283.393	1.956	10	20	CDCD	
COCCOCCN[C@@H](C)c1cc([N+](=O)[O-])ccc1O	273442850	YXLJQJRZJYNWEK-JTQLQIEISA-N	284.312	1.614	10	20	CDCD	
COC(=O)C[C@H]1COCCN1Cc1cccc(C)c1O	377826801	PVNCEVGUFZNXTP-ZDUSSCGKSA-N	279.336	1.465	10	20	CDCD	
CC[C@H](N[C@@H]1COC[C@H]1O)c1ccc(F)cc1O	295930629	KSVJAMYMWURCTM-DMDPSCGWSA-N	255.289	1.332	10	20	CDCD	
O=C1CN(Cc2ccccc2O)C(=O)N1OCCC1CC1	819170018	RXRCGRXDZKWPKH-UHFFFAOYSA-N	290.319	1.888	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NCCNC(=O)NC(C)C)c1	828155437	MTDZVVJZOALYIW-LLVKDONJSA-N	295.383	1.759	10	20	CDCD	
C[C@@H](NC(=O)C1(CN(C)C)CC1)c1ccccc1O	827951974	BDHGHTYHIAMDTO-LLVKDONJSA-N	262.353	1.911	10	20	CDCD	
O=C(O)[C@H]1CN(Cc2cc3c(cc2O)CCC3)CCO1	738548541	JJCPPGHZNKHCBC-CQSZACIVSA-N	277.320	1.166	10	20	CDCD	
O=C(NCc1ccccc1O)N[C@H]1CC12CCOCC2	836612467	KURWFJCRVOIGNP-ZDUSSCGKSA-N	276.336	1.761	10	20	CDCD	
COc1cccc(CN[C@H]2CCN[C@@H](C)C2)c1O	841062436	WRYRXSNPXUPRJQ-JQWIXIFHSA-N	250.342	1.631	10	20	CDCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)CO	840555524	QZUHQPQGMCQITE-LLVKDONJSA-N	250.342	1.101	10	20	CDCD	
CN(CCC(C)(C)O)c1ccc(OCC(=O)O)cc1	846279655	JXVCDVCIMQQIOA-UHFFFAOYSA-N	267.325	1.747	10	20	CDCD	
C[C@H](COCC1CC1)NC(=O)c1cccc(O)c1O	846526601	BTOHTVMXPRWEHV-SECBINFHSA-N	265.309	1.643	10	20	CDCD	
Oc1c(Br)cccc1CN[C@H]1CCCNC1	841041668	DGOUQGOUJMQOPP-JTQLQIEISA-N	285.185	1.996	10	20	CDCD	
COc1ccc(N(C)CCN(C)c2ncnn2C)cc1	846750677	DIAUFUVWRXNFLV-UHFFFAOYSA-N	275.356	1.396	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN(C)[C@H]1CCS(=O)(=O)C1	840907533	GMQRSUJRMFCNGN-HNNXBMFYSA-N	296.436	1.680	10	20	CDCD	
CO[C@H](CC(C)C)C(=O)NCc1ccc(O)c(O)c1	841403324	AUVXFCHLPAKPLF-CYBMUJFWSA-N	267.325	1.775	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@H](C)N	841824464	PPYWECFGLCFPLM-LLVKDONJSA-N	264.373	1.207	10	20	CDCD	
COc1cccc([C@@H](C)NCC[C@@]2(O)CCCOC2)c1O	846212965	ORZZITQUSHCFJE-WBMJQRKESA-N	295.379	1.983	10	20	CDCD	
COC[C@H](CCO)N[C@@H](C)c1cccc(OC)c1O	846144574	LFWXUMYHDOSYFD-QWRGUYRKSA-N	269.341	1.449	10	20	CDCD	
Cc1cc(C(=O)N[C@]2(C)CCNC2)c(C)n1-c1ccccn1	852927418	HCRSUPHQACTYSV-QGZVFWFLSA-N	298.390	1.971	10	20	CDCD	
Cc1noc(C(=O)NCc2ccc(N3CC=CC3)cc2)n1	865941646	JNIUBRYXCDVZBT-UHFFFAOYSA-N	284.319	1.684	10	20	CDCD	
COc1cccc(CNC(=O)CN(C)C2CCC2)c1O	863864734	SQPRNKFLEOXLKH-UHFFFAOYSA-N	278.352	1.501	10	20	CDCD	
CC[C@@H](CS(=O)(=O)N[C@H](C)c1ccccc1O)OC	867835133	USTAHWKKAAQSIX-MNOVXSKESA-N	287.381	1.798	10	20	CDCD	
C[C@@H]1CN(Cc2cc3c(cc2O)OC[C@@H]3O)CCO1	768442591	UPPYBQLEORUDCF-RNCFNFMXSA-N	265.309	1.039	10	20	CDCD	
Cc1ccc(CN2CCN(CCO)C(C)(C)C2)c(O)c1	877460514	UFJWZNHUDVKZRL-UHFFFAOYSA-N	278.396	1.589	10	20	CDCD	
CCN(CC)C[C@H](C)NC(=O)/C=C/c1ccc(O)c(O)c1	779520491	IEXUAJBHOSIPQS-CRALRDPISA-N	292.379	1.958	10	20	CDCD	
COc1ccc(N2CCN(C[C@H](C)CO)CC2)c(OC)c1	879461679	FWDDUQLVYSDQEA-ZDUSSCGKSA-N	294.395	1.454	10	20	CDCD	
CONC(=O)C1CCN(Cc2cccc(OC)c2O)CC1	877786734	VUMDWMSULWQXOM-UHFFFAOYSA-N	294.351	1.290	10	20	CDCD	
CCCCN1CC(=O)N[C@H]1c1cc(F)cc(F)c1O	887326849	PHPLRUWXMGPDHF-CYBMUJFWSA-N	270.279	1.901	10	20	CDCD	
CNC(=O)C[C@H](C)N[C@@H](C)c1c(O)cccc1F	886620278	GHHOPEAINGVLHQ-IUCAKERBSA-N	254.305	1.707	10	20	CDCD	
CCCNC(=O)CN[C@H](C)c1c(O)cccc1F	886491657	KXZPIJYNKFKZLB-SECBINFHSA-N	254.305	1.708	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)CC1OCCO1	789987695	WNNUWEXYKZEBJM-UHFFFAOYSA-N	292.335	1.241	10	20	CDCD	
COCC[C@@H](C)NC(=O)NCc1ccc(N)cc1	1120591287	XEHWUZHKAXJVHO-SNVBAGLBSA-N	251.330	1.493	10	20	CDCD	
CON(C)C(=O)CNCc1ccc2ccccc2c1O	895046824	WWJIXLOCEUINNO-UHFFFAOYSA-N	274.320	1.655	10	20	CDCD	
COC(=O)[C@@H](NCc1ccc2c(c1)CCCO2)[C@@H](C)O	896041449	LVKBRTMNNQRGBI-YGRLFVJLSA-N	279.336	1.024	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)C1(S(C)(=O)=O)CCC1	279846227	JSEAEXWQLZDRLM-UHFFFAOYSA-N	297.376	1.318	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H]2C[C@@H](N)C2)c1	892562965	PDICFLMXYXOMOY-MXWKQRLJSA-N	293.367	1.498	10	20	CDCD	
COc1ccc(CNC(=O)[C@@H](C)c2cnn(C)c2)c(O)c1	794377615	RDAIUCHGDBQLOG-JTQLQIEISA-N	289.335	1.554	10	20	CDCD	
COc1ccc(CNCCN2CC=CCC2)c(O)c1OC	894168673	ZKAROSZKVGNORA-UHFFFAOYSA-N	292.379	1.761	10	20	CDCD	
CCOCCCNC(=O)NCc1ccc(OC)cc1O	792778921	VBLPTOWSBQNJQP-UHFFFAOYSA-N	282.340	1.627	10	20	CDCD	
COCCCNC(=O)CN1CCCc2cc(OC)ccc21	797721305	CUWHOYPBNBICFZ-UHFFFAOYSA-N	292.379	1.601	10	20	CDCD	
CCc1cccc(CN[C@@H](CC)C(=O)NC)c1O	697827783	MNARCCZUVVGGBN-LBPRGKRZSA-N	250.342	1.569	10	20	CDCD	
CCNCCNC(=O)c1ccc(N=NC(N)=O)cc1	1153036973	APFNQESLEKSLKD-UHFFFAOYSA-N	263.301	1.188	10	20	CDCD	
C[C@@H](CN)NCc1ccc(N2CCN(C)CC2)c(F)c1	1325318387	HEARXTTYGIKWEA-LBPRGKRZSA-N	280.391	1.014	10	20	CDCD	
Cc1cc(CN(C)CCNS(C)(=O)=O)ccc1N(C)C	1324487268	FLYNEEDKHFZSKL-UHFFFAOYSA-N	299.440	1.042	10	20	CDCD	
CCOc1ccc(N2CCN([C@@H](CC)CO)CC2)cc1	1333144687	UAJPDVTYFQUVLT-AWEZNQCLSA-N	278.396	1.978	10	20	CDCD	
O=C(O)[C@@H](C[C@H]1CCCO1)NCc1ccc2c(c1)CCO2	1332017931	VGLVLOQAALDSTF-ZIAGYGMSSA-N	291.347	1.733	10	20	CDCD	
CC1(OCC(=O)NCc2cccc(O)c2O)CCC1	1520508642	IFNSLWUDSVHYQQ-UHFFFAOYSA-N	265.309	1.673	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@H](N)C(C)(C)C	1576051416	BMDPWALCDQSXQR-YGRLFVJLSA-N	294.395	1.909	10	20	CDCD	
CO[C@@H](C(=O)O)C(=O)NCc1c(O)ccc2ccccc12	1593909433	WXKZTCPACKMSQK-CYBMUJFWSA-N	289.287	1.261	10	20	CDCD	
C[C@H](N[C@H](C)c1cc(C(=O)O)ccc1O)c1ncn(C)n1	1593198212	OFTYPZPOABBOFA-BDAKNGLRSA-N	290.323	1.631	10	20	CDCD	
Cc1nn(C)cc1CNCc1ccc2c(c1)CCO2	123635466	XWFLQMKLXFDLQP-UHFFFAOYSA-N	257.337	1.953	10	20	CDCD	
COc1ccc(NC(=O)c2cccc(O)c2O)cn1	126188125	XRWWIEXPLZFCNA-UHFFFAOYSA-N	260.249	1.754	10	20	CDCD	
Nc1ccc(CC(=O)N2CC[C@@](O)(C(F)(F)F)C2)cc1	261767795	OJSJCYAUAQVTMS-LBPRGKRZSA-N	288.269	1.337	10	20	CDCD	
CN1CCC(O)(CN[C@@H]2CCc3cccc(O)c32)CC1	297573527	GVEOVZOLHDXBNJ-CYBMUJFWSA-N	276.380	1.426	10	20	CDCD	
C[C@H]1CN(C(=O)c2cccc(O)c2O)C[C@]1(C)CO	703710698	SMQSNIXAAJIJEU-LKFCYVNXSA-N	265.309	1.188	10	20	CDCD	
CC(C)[C@@H](C)NC(=O)CN(C)Cc1ccccc1O	109771713	SGTCZEBYZWKYTR-GFCCVEGCSA-N	264.369	1.985	10	20	CDCD	
CSc1ccccc1C(=O)N1CCS(=O)(=O)CC1	171570721	LNXVUGYHFTWAAB-UHFFFAOYSA-N	285.390	1.279	10	20	CDCD	
CCOc1ccc(O)c(CN2CCC[C@H]2C(=O)N(C)C)c1	122746764	LUDWWFMWMFWPOV-AWEZNQCLSA-N	292.379	1.844	10	20	CDCD	
CCN(CC(=O)NCc1ccc(O)c(O)c1)C1CC1	182533178	JTXIKTCWMBGKOD-UHFFFAOYSA-N	264.325	1.198	10	20	CDCD	
O=C(N[C@@H]1COc2ccccc2C1)c1cccc(O)c1O	188188028	DVJSNTMQRKIRTB-NSHDSACASA-N	285.299	1.831	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NC[C@H]1CCCOC1	180959602	LNMBCTXQAPZDKN-FVOPLDGLSA-N	277.320	1.654	10	20	CDCD	
C[C@@H](CCN(C)C)NC(=O)c1cccc(O)c1O	126320264	WZMTVNUKLQGCET-VIFPVBQESA-N	252.314	1.168	10	20	CDCD	
CC[C@H](C)NC(=O)[C@H](C)NCc1ccccc1O	134230817	REPUGCCIHDYZQO-QWRGUYRKSA-N	250.342	1.785	10	20	CDCD	
COC(=O)[C@@H](CC(C)C)NCc1cc2c(cc1O)OCO2	42879892	NLYUPQVJKYLVSJ-LLVKDONJSA-N	295.335	1.798	10	20	CDCD	
CCNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	49177001	RXFDHMKEJGQULU-LBPRGKRZSA-N	277.368	1.903	10	20	CDCD	
Oc1cc2c(cc1CNC[C@@H]1CCN(C3CC3)C1)OCO2	42880165	YMAFTJDCYBECCO-NSHDSACASA-N	290.363	1.695	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2csnn2)cc1	41687858	HFNDFLVHZBWAGH-UHFFFAOYSA-N	262.338	1.534	10	20	CDCD	
Cn1ncc(NCc2ccccc2O)c(Cl)c1=O	134332125	OKXPFTBCIQJROT-UHFFFAOYSA-N	265.700	1.751	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C[C@H]1COCCN1	130298457	YVVLSDCPWASEGF-AWEZNQCLSA-N	291.395	1.090	10	20	CDCD	
Cc1nnc(CN2CCOc3cc(N(C)C)ccc32)o1	163189451	ZWFDQMIYORLWQR-UHFFFAOYSA-N	274.324	1.843	10	20	CDCD	
CN1CCCc2cc(CNC(=O)[C@H]3CCNC3)ccc21	237129115	CCUVJBMOOJAFBF-AWEZNQCLSA-N	273.380	1.295	10	20	CDCD	
COC(=O)[C@H]1CN(Cc2ccc(N(C)C)cc2)C[C@@H](C)O1	92012893	YMVIIUYEXLVDAH-IUODEOHRSA-N	292.379	1.515	10	20	CDCD	
CCOC[C@@H]1CN(Cc2cc3c(cc2O)OCO3)CCO1	529664837	FEGKGBOMKMPZDP-LBPRGKRZSA-N	295.335	1.358	10	20	CDCD	
C[C@@H]1CN(c2ccc(CNC(=N)N)cc2F)C[C@@H](C)O1	263979414	QQLLDCKTHVEGPM-NXEZZACHSA-N	280.347	1.422	10	20	CDCD	
NC[C@H]1CCC[C@H]1C(=O)NCCc1ccc(N)cc1	261659690	AODAWTUDBQEVHN-TZMCWYRMSA-N	261.369	1.303	10	20	CDCD	
CCCN(CCC)c1ccc(CN2C[C@@H](O)[C@H](O)C2)cc1	278434109	UKMBZVLJMAZFLL-IAGOWNOFSA-N	292.423	1.850	10	20	CDCD	
COCC(C)(C)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	274966687	VDLNESSBTQJAAB-JTQLQIEISA-N	281.352	1.818	10	20	CDCD	
CC[C@H](NCC(=O)NCC(F)F)c1ccc(F)cc1O	286375105	AJTDCVYMMHDXNL-JTQLQIEISA-N	290.285	1.953	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@@H]1OC[C@H]2COCC[C@H]21	289787493	JWPSIPQDESOTAC-UMVBOHGHSA-N	291.347	1.402	10	20	CDCD	
CCCOc1ccc(CN2CC(=O)N[C@H](C)C2)c(O)c1	294943995	HDHYQNFUNBNJHE-LLVKDONJSA-N	278.352	1.501	10	20	CDCD	
C[C@H](N[C@H](C)c1ccc(N2CCOCC2)cc1)C1CNC1	817891868	OVFFWEVLNQDQAA-KGLIPLIRSA-N	289.423	1.782	10	20	CDCD	
CNc1nc(C)cc(C(=O)NCCc2ccc(N)cc2)n1	818544963	YHSCXMTXITWILB-UHFFFAOYSA-N	285.351	1.381	10	20	CDCD	
CCOC[C@@H](O)CN[C@@H](C)Cc1ccc(N(C)C)cc1C	819373931	DZPNLZNWSGDIQU-YOEHRIQHSA-N	294.439	1.979	10	20	CDCD	
CNCCN[C@H](C)c1ccc(N2CCOCC2)c(F)c1	817953456	PANGARJQGCTGGV-GFCCVEGCSA-N	281.375	1.532	10	20	CDCD	
C[C@H]1[C@@H](C)N(C(=O)c2cc(O)cs2)CC[S@@]1=O	736725618	WLEQXDNTBKOBER-SNPJHEAGSA-N	273.379	1.435	10	20	CDCD	
CCCCC[C@@H](O)C(=O)NCc1ccc(OC)cc1O	831617732	JRQABZMNXSMIDZ-CYBMUJFWSA-N	281.352	1.958	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@H](O)C2CC2)c1	830540830	OASHXIMWEOGSMG-AMIZOPFISA-N	265.309	1.349	10	20	CDCD	
COCCNC(=O)C1(N[C@@H](C)c2ccc(C)cc2O)CC1	840822690	OESVCSFYJABBCL-LBPRGKRZSA-N	292.379	1.646	10	20	CDCD	
Nc1ccc(CCNC(=O)N2CC[C@@]3(CCOC3)C2)cc1	841956663	ATJVWBJOOWEBPN-MRXNPFEDSA-N	289.379	1.633	10	20	CDCD	
COc1ccc(N(C)C[C@@H](O)COC(C)C)cc1OC	920781316	NMKOWUYNYGIZTH-CYBMUJFWSA-N	283.368	1.926	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)OC[C@H]1CCOC1	759596880	WCUXUHPVHLAAON-MORRKMRCSA-N	264.277	1.691	10	20	CDCD	
CC(C)c1ncc(S(=O)(=O)NCc2ccccc2O)[nH]1	751151010	NNYBECVWDYQBJM-UHFFFAOYSA-N	295.364	1.717	10	20	CDCD	
O=C(NCc1ccc(N2CCOCC2)cc1)N1CC(F)C1	753123970	ZBSNMQDDPLWXRH-UHFFFAOYSA-N	293.342	1.387	10	20	CDCD	
CCOc1cccc(CN(CC(N)=O)C(C)C)c1O	133019919	JRNTVOASRYBNPZ-UHFFFAOYSA-N	266.341	1.487	10	20	CDCD	
O=C(NCc1ccccc1O)c1cnn(CC2CC2)c1	866755873	NPETUWUWJSYPRY-UHFFFAOYSA-N	271.320	1.929	10	20	CDCD	
CN(CCc1nnn(C(C)(C)C)n1)c1ccc(N)cc1	863558650	RQMIKYSKXBIFGM-UHFFFAOYSA-N	274.372	1.689	10	20	CDCD	
Cc1ccc(CN2CCN([C@H]3CCC[C@@H]3O)CC2)c(O)c1	876686943	CDAGDVGROJKUER-HOTGVXAUSA-N	290.407	1.732	10	20	CDCD	
O=C(CCCCO)NCc1ccc(N2CCOCC2)cc1	771503579	NQZMDZJTXJOINB-UHFFFAOYSA-N	292.379	1.302	10	20	CDCD	
CNS(=O)(=O)C[C@H]1CCCN1Cc1c(C)cccc1O	876789996	PFHFYLWIOZDCTN-GFCCVEGCSA-N	298.408	1.214	10	20	CDCD	
CCOC(=O)CCN(C(=O)c1cccc(O)c1O)C1CC1	776637914	IFEBTLIAHMAJEI-UHFFFAOYSA-N	293.319	1.656	10	20	CDCD	
Nc1ccc(CNC(=O)N2CC[C@H]([C@@H]3CCOC3)C2)cc1	1120677610	UJINAXSHKXPLFS-UONOGXRCSA-N	289.379	1.837	10	20	CDCD	
Nc1ccc(CNC(=O)N[C@H]2CCC[C@H]2CCO)cc1	1120617894	IOFSVALNXPVORT-JSGCOSHPSA-N	277.368	1.619	10	20	CDCD	
C[C@H](NC[C@]1(O)CCO[C@@H]1C)c1cc(F)cc(F)c1O	788623963	LWROQOUVTDDKFA-ATEUNZGCSA-N	287.306	1.861	10	20	CDCD	
CN(C)c1ccc(CNC[C@H]2COCO2)cc1F	894871409	DQBTVXBYIWIWME-NSHDSACASA-N	254.305	1.354	10	20	CDCD	
CCOc1ccc(O)c(CN[C@@H]2C(=O)NCC2(C)C)c1	895317054	LXZNWLFTWAJUJD-CYBMUJFWSA-N	278.352	1.405	10	20	CDCD	
COc1ccc(CNC[C@@H](CO)C(C)C)c(O)c1OC	894442947	ATJOFZMVDKPQIG-LBPRGKRZSA-N	283.368	1.764	10	20	CDCD	
CC[C@@H](C(=O)N[C@H](C)c1cc(OC)ccc1O)C(=O)OC	790788404	WCAHPTPZCWTAFA-KOLCDFICSA-N	295.335	1.777	10	20	CDCD	
COC(=O)[C@](C)(CO)NCc1ccc2c(c1)CCCO2	894825166	NOUQGGCEWKSESG-HNNXBMFYSA-N	279.336	1.025	10	20	CDCD	
CN(CC[C@@H]1CCS(=O)(=O)C1)Cc1ccccc1O	760855694	HSBYVXBPHCMCCI-GFCCVEGCSA-N	283.393	1.649	10	20	CDCD	
OCC1CCN(CCNCc2c(O)cccc2Cl)CC1	1318516118	YYMQUWNHIRJHLR-UHFFFAOYSA-N	298.814	1.840	10	20	CDCD	
CCCCN(Cc1ccccc1O)c1nnnn1C	1334449607	UVQFRNGVTOPJIO-UHFFFAOYSA-N	261.329	1.722	10	20	CDCD	
Cc1n[nH]c(C)c1CNC(=O)c1cc(O)cs1	1348781371	AREPFYQLSVLETM-UHFFFAOYSA-N	251.311	1.724	10	20	CDCD	
CC(C)(C)n1cc(C(=O)NCc2cccc(O)c2O)cn1	1352657655	JJSSZTIHKBTWTO-UHFFFAOYSA-N	289.335	1.979	10	20	CDCD	
O=C(O)[C@H]1C[C@@H](C(=O)NCc2cc(Cl)ccc2O)C1	1517397114	DFQOOVKIZXPCNW-OCAPTIKFSA-N	283.711	1.773	10	20	CDCD	
C[C@H](NCCC(C)(C)O)c1cc(C(=O)O)ccc1O	1604339407	XWKGZEFCEQOHIH-VIFPVBQESA-N	267.325	1.902	10	20	CDCD	
O=C(O)CC1(NC(=O)/C=C\c2ccc(O)c(O)c2)CCC1	1606078002	PUTDNCGCZTWCMK-HYXAFXHYSA-N	291.303	1.625	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1C[C@H](O)C[C@@H](C(=O)O)C1	1600236147	APSFDKMNDSRJPJ-UKRRQHHQSA-N	292.379	1.328	10	20	CDCD	
O=C(O)c1cnc(SC[C@@H]2CCS(=O)(=O)C2)s1	1602536973	JDBFCNDHPCNCHP-LURJTMIESA-N	293.391	1.368	10	20	CDCD	
C[C@@]1(C(=O)O)CCN(Cc2cc(F)c(F)cc2O)C1	1573653302	ANSQQIUUEMGFKC-CYBMUJFWSA-N	271.263	1.967	10	20	CDCD	
COc1ccc(CNC[C@]2(OC)CCOC2)cc1C	122917270	CDQZQZHLHMQKGQ-OAHLLOKOSA-N	265.353	1.899	10	20	CDCD	
CC[C@H](NCC[C@H](C)O)c1cccc(-c2nn[nH]n2)c1O	1590470973	TVCGWORKKRCTFI-CABZTGNLSA-N	291.355	1.384	10	20	CDCD	
CCOc1cccc(CNC[C@@H]2CCCNC2=O)c1O	839196922	YKQTXKGGDCJQML-LBPRGKRZSA-N	278.352	1.407	10	20	CDCD	
CCN1CCC[C@@H](NCc2ccc(C)cc2O)C1=O	896728877	HJCIMJYVSYYZLX-CYBMUJFWSA-N	262.353	1.801	10	20	CDCD	
CCc1nnc(C)cc1C(=O)NCc1ccccc1O	169064869	UVPUERXGQIHKGY-UHFFFAOYSA-N	271.320	1.983	10	20	CDCD	
Cc1cccc(CN2CCCN(S(C)(=O)=O)CC2)c1O	179661517	VVVUOSSFTRTFRB-UHFFFAOYSA-N	298.408	1.168	10	20	CDCD	
CNC(=O)[C@H]1CCCCN1Cc1cc(F)cc(F)c1O	708433098	GZIJATDJDCZYCJ-GFCCVEGCSA-N	284.306	1.771	10	20	CDCD	
CCOc1cccc(CN[C@H]2COC[C@@H]2OC)c1O	289814512	NGAUFQHCHGQILA-AAEUAGOBSA-N	267.325	1.294	10	20	CDCD	
Cn1ncnc1COc1ccc(N2CCCC2)cc1	178194371	QGJQQQIAEBXLHO-UHFFFAOYSA-N	258.325	1.994	10	20	CDCD	
Cc1ccc(C(=O)NC[C@@H]2CCN(C3CC3)C2)c(O)c1O	179444342	ZEUPIUKAVOUIQQ-NSHDSACASA-N	290.363	1.620	10	20	CDCD	
CN[C@@H]1CCCN(Cc2cc(OC)ccc2O)C1	53201732	OHXSMGAYKSHIKP-GFCCVEGCSA-N	250.342	1.585	10	20	CDCD	
CC[C@@H](O)CCNCc1cc2c(cc1O)OCO2	124375931	OJHHNLSAYNNVIN-SNVBAGLBSA-N	253.298	1.372	10	20	CDCD	
CC(C)OCCNC(=O)/C=C/c1ccc(O)c(O)c1	185204113	FIKFKINOKALXEX-GQCTYLIASA-N	265.309	1.652	10	20	CDCD	
Cn1cc(CC(=O)NCc2c(O)ccc3c2CCCC3)cn1	75159452	XMQMYMIDKDJNBH-UHFFFAOYSA-N	299.374	1.863	10	20	CDCD	
Cc1ccc(C(=O)N(C)C[C@@H]2CCCOC2)c(O)c1O	182403004	JWZHEMYVQNCWKJ-NSHDSACASA-N	279.336	1.905	10	20	CDCD	
COc1cc(Cl)cc(CN2CCN[C@@H](C)C2)c1O	228562407	XXXTWVRODZDTDM-VIFPVBQESA-N	270.760	1.848	10	20	CDCD	
O=C(O)C[C@H]1CN(Cc2cc(Cl)ccc2O)CCO1	91298759	IFAZRMUZTPOUEY-NSHDSACASA-N	285.727	1.721	10	20	CDCD	
CCC[C@@H](CNC(=O)c1cccc(O)c1O)OC	293740806	SFIMPCQOYMXDOV-VIFPVBQESA-N	253.298	1.643	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NC[C@@H](O)C2CC2)cc1F	264255018	ZISXZQOXVSYSGI-CQSZACIVSA-N	295.358	1.462	10	20	CDCD	
CC[C@@H]1CN(Cc2cc(OC)c(OC)cc2O)C[C@H]1O	271907416	LUIQTNJOUVZVPH-ZWNOBZJWSA-N	281.352	1.612	10	20	CDCD	
CN(C)c1ccc(CN2C(=O)N[C@H](C3CC3)C2=O)cc1F	277731333	IQAKUSMKGGQMDL-CYBMUJFWSA-N	291.326	1.722	10	20	CDCD	
COC[C@@H](NCc1cc(OC)ccc1O)[C@@H]1CCCO1	279377750	IOVXOPOKPMTJDT-HIFRSBDPSA-N	281.352	1.684	10	20	CDCD	
COc1ccc(O)c(CN2CC[C@H](C)[S@](=O)CC2)c1	277306802	BDFDKWJKKONMLI-JEOXALJRSA-N	283.393	1.744	10	20	CDCD	
CCOc1ccc(O)c(CN2C[C@@H](O)[C@H](CC)C2)c1	271377511	RBOIQEVTBPTTIP-IAQYHMDHSA-N	265.353	1.994	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)C(C)(C)C	274994323	ZLTHPKHKGRKWNY-SECBINFHSA-N	279.336	1.760	10	20	CDCD	
CC[C@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)C[C@@H]1O	272627147	JWCATNQDWVVAOS-LNTXQQRLSA-N	277.320	1.340	10	20	CDCD	
C[C@@H](O)CN1CCN(Cc2ccc(N(C)C)c(F)c2)CC1	276142845	DDPSZJTXHQBWFV-CYBMUJFWSA-N	295.402	1.390	10	20	CDCD	
Oc1cc2c(cc1CN1CC[C@H]([C@@H]3CCOC3)C1)OCO2	372175262	GRQLWPAIVKMYIJ-NWDGAFQWSA-N	291.347	1.979	10	20	CDCD	
Cc1cccc(CN2CCC[C@@](F)(CO)C2)c1O	289962606	YOLQSJUACIZOJA-AWEZNQCLSA-N	253.317	1.997	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)c1conc1C1CC1	281089484	VDJHMDNKPCYJIF-UHFFFAOYSA-N	288.303	1.936	10	20	CDCD	
COc1cccc(CN2CC[C@H](O)C[C@@H]2C)c1O	292856338	UUNOMZRSEPXUAV-JQWIXIFHSA-N	251.326	1.746	10	20	CDCD	
CC(=O)C(=O)Cn1c(C)nc([N+](=O)[O-])c1Br	808022276	ILBDWAADNZKOEN-UHFFFAOYSA-N	290.073	1.020	10	20	CDCD	
CCCCN(Cc1ccccc1O)[C@@H]1CCC(=O)NC1=O	801599345	KQTDFPHZWRXUCH-CYBMUJFWSA-N	290.363	1.800	10	20	CDCD	
CC1(C)CNC(=O)CN1Cc1c(O)ccc(Cl)c1F	800539104	NEIQXIQBEVGYTF-UHFFFAOYSA-N	286.734	1.895	10	20	CDCD	
CCCNS(=O)(=O)NCc1ccc(N2CCCC2)cc1	293190224	YVBNHZLDZMSYSP-UHFFFAOYSA-N	297.424	1.621	10	20	CDCD	
CN(C)C(=O)CNCc1cc(Cl)c(F)cc1O	816563158	MFNNLVZEJGEOBQ-UHFFFAOYSA-N	260.696	1.363	10	20	CDCD	
O=C(O)CCNCc1ccc(N2CCOCC2)c(F)c1	819503073	ICDKSACEPQCKBC-UHFFFAOYSA-N	282.315	1.227	10	20	CDCD	
CC[C@H](NCC(=O)N1CCNCC1)c1ccc(C)cc1O	817945469	DKMUFMOSAOWWTF-AWEZNQCLSA-N	291.395	1.173	10	20	CDCD	
C[C@H](N)C[C@@H](C)NCc1ccc(N2CCOCC2)c(F)c1	817888964	QGSOBOSKQWBAOF-QWHCGFSZSA-N	295.402	1.878	10	20	CDCD	
COc1cc(O)ccc1/C=C1/SC(=S)NC1=O	575327263	KAWSFTBQUATNGW-RUDMXATFSA-N	267.331	1.890	10	20	CDCD	
C[C@@H](NC(=O)[C@@H]1CCCN1C=O)c1ccccc1O	827952126	GXHLRQOLGHMZDI-PWSUYJOCSA-N	262.309	1.190	10	20	CDCD	
CN(C)c1ccc(CN[C@H](C(=O)O)[C@@H]2CCCOC2)cc1	901832958	QKFBQUQYWMCUDL-HIFRSBDPSA-N	292.379	1.722	10	20	CDCD	
COc1cccc(CN(C)C2CCN(OC)CC2)c1O	835076419	PZDWHQKNRDNLBZ-UHFFFAOYSA-N	280.368	1.858	10	20	CDCD	
CO[C@@H](C)CS(=O)(=O)Nc1cc(F)c(O)cc1Cl	901962372	FSTYFUGPAFOSSJ-LURJTMIESA-N	297.735	1.961	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)CNC(=O)C1CC1	734468055	HJADGVWMSQNUIL-UHFFFAOYSA-N	289.379	1.203	10	20	CDCD	
Nc1ccc(CC(=O)NC[C@H](CO)Cc2ccccc2)cc1	831160930	LLHLVRZZABYCIR-MRXNPFEDSA-N	298.386	1.779	10	20	CDCD	
CCC1(C(=O)NCc2ccc(O)cc2O)COC1	910950548	HKJUSHYYYUKKCI-UHFFFAOYSA-N	251.282	1.141	10	20	CDCD	
CCCOc1ccc(CNC[C@@H](O)CC(=O)O)cc1C	1776821028	ACTDRRBRCJXAMW-ZDUSSCGKSA-N	281.352	1.709	10	20	CDCD	
CCCN1CC(=O)N[C@@H]1c1cc(OC)c(OC)cc1O	840825166	UUWQQYVBEPHRBW-AWEZNQCLSA-N	280.324	1.250	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNC[C@H](N)C(C)C)c1O	841028650	BWUHCEOMUFWHDC-JTQLQIEISA-N	283.328	1.382	10	20	CDCD	
Cc1cc(O)c(CNC[C@H]2CNCCO2)cc1C	841098124	CRRJOUKIOQTUII-CYBMUJFWSA-N	250.342	1.087	10	20	CDCD	
C[C@@H]([C@@H](C)N(C)Cc1ccc(N)cc1)S(C)(=O)=O	1334773920	BAFAFKPRHCYIDQ-MNOVXSKESA-N	270.398	1.522	10	20	CDCD	
Cc1cc(N(C)C)ccc1C[C@H](C)N1C(=O)N[C@@H](C)C1=O	842265192	QCAUCPCXYWMBLW-RYUDHWBXSA-N	289.379	1.932	10	20	CDCD	
CCOCCNC(=O)NCc1cc(Cl)ccc1O	844873983	VOFAJDWAXIFJQX-UHFFFAOYSA-N	272.732	1.881	10	20	CDCD	
C[C@@H]1C[C@@H](NC(=O)/C=C\c2ccc(O)c(O)c2)CO1	844107967	UIMLZGMRLYAJMR-VVCGMDSISA-N	263.293	1.405	10	20	CDCD	
CCCNC(=O)CCCOC(=O)c1cccc(O)c1O	840461887	PYAVMECBVFBXDJ-UHFFFAOYSA-N	281.308	1.561	10	20	CDCD	
C[C@@H]1[C@@H](N(C)C)CCN1C(=O)c1cc(O)cs1	854649843	HKWSWQCSWKZNKN-SCZZXKLOSA-N	254.355	1.618	10	20	CDCD	
CN(C)c1ccc(CN2CC[C@H]3NC(=O)CC[C@@H]3C2)cc1	852495195	KFOAVXCATLQKMQ-GDBMZVCRSA-N	287.407	1.853	10	20	CDCD	
C[C@@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1O)C(=O)N(C)C	756739444	MZMMILWXDGWOOZ-RKDXNWHRSA-N	281.312	1.428	10	20	CDCD	
C[C@H](N[C@H]1CCCCNC1=O)c1cc(F)cc(F)c1O	756395913	KWWJOJRLCXIEJF-UFBFGSQYSA-N	284.306	1.990	10	20	CDCD	
C[C@@H](NS(=O)(=O)N=S(C)(C)=O)c1ccccc1O	867834790	NXQLKNNSKRSWQU-MRVPVSSYSA-N	292.382	1.015	10	20	CDCD	
COCC1(O)CCN(Cc2c(O)cccc2OC)CC1	769451785	NWPPEEIMZWCHKH-UHFFFAOYSA-N	281.352	1.374	10	20	CDCD	
COc1ccc(O)c(CN2CCC[C@H]2CCO)c1	779202197	LFAFFQRVRUFHEI-LBPRGKRZSA-N	251.326	1.748	10	20	CDCD	
Oc1c(F)cc(F)cc1CNCCC1(O)CCOCC1	883117148	RPENEXVEUCKGQT-UHFFFAOYSA-N	287.306	1.692	10	20	CDCD	
C[C@H](NC(=O)c1cc[n+]([O-])cc1)c1ccc(N(C)C)cc1	773000249	OCSIGXMTOJBNDA-LBPRGKRZSA-N	285.347	1.877	10	20	CDCD	
Cn1cc([C@H](CO)NCc2cc(F)cc(F)c2O)cn1	883076444	DDFNIHCMCADVMJ-LBPRGKRZSA-N	283.278	1.227	10	20	CDCD	
CC1(C)CC[C@@H](CO)N(C(=O)Cc2ccc(N)cc2)C1	701648433	QNQYNXHJUXCMLD-AWEZNQCLSA-N	276.380	1.821	10	20	CDCD	
OC[C@]12C[C@@H]1CN(Cc1ccc(N3CCOCC3)cc1)C2	783744134	SUHBBJCOGWBHJM-NVXWUHKLSA-N	288.391	1.337	10	20	CDCD	
Cc1cc(C)c([C@H](C)NCc2nnn(C)n2)c(O)c1	788797144	WSKSCGUOFHCXAC-JTQLQIEISA-N	261.329	1.383	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@@H]1CO	893053025	JYARZQPCDTUUGN-CQSZACIVSA-N	277.368	1.337	10	20	CDCD	
N[C@H](CC(=O)O)c1cccc(Br)c1O	96885174	HVSGTXLTOOIBMO-SSDOTTSWSA-N	260.087	1.629	10	20	CDCD	
CCOCCCNCc1ccc(OC)c(OC)c1O	892478069	CCRGXGLLSKMBEX-UHFFFAOYSA-N	269.341	1.926	10	20	CDCD	
COc1cc(C)cc(CNC[C@@H](O)CN2CCCC2)c1O	894200149	KBQKKUGCHBCLAE-CQSZACIVSA-N	294.395	1.256	10	20	CDCD	
COc1ccc(CNC(=O)c2ccncn2)c(O)c1	794386811	BMODFFXREZUTBQ-UHFFFAOYSA-N	259.265	1.121	10	20	CDCD	
COc1ccc(CNC(=O)NC[C@@]2(C)CCOC2)c(O)c1	792936227	NDWNMAOQRLBWBK-OAHLLOKOSA-N	294.351	1.627	10	20	CDCD	
Cc1ccc(O)c(CNS(=O)(=O)C[C@H]2CCCOC2)c1	1329238481	JMVXCITYLUDSJP-LBPRGKRZSA-N	299.392	1.547	10	20	CDCD	
CN[C@@H](C)CCN[C@H](C)c1cc([N+](=O)[O-])ccc1O	1325743051	ITSKDHCZFLZOAH-VHSXEESVSA-N	267.329	1.949	10	20	CDCD	
CCOC(=O)[C@@H]1CNCCN1Cc1cc(C)c(C)cc1O	1326990054	DDZMUIOPHXYEEB-AWEZNQCLSA-N	292.379	1.346	10	20	CDCD	
CN1C[C@H](c2nc(Cc3ccc(N)cc3)no2)CC1=O	1327005493	QIDVASXEHHLOCY-SNVBAGLBSA-N	272.308	1.188	10	20	CDCD	
Nc1ccc(CN2CCC[C@@H](Cn3ccnn3)C2)cc1	1335285858	SMRIBVWZDFCWHH-CQSZACIVSA-N	271.368	1.773	10	20	CDCD	
CO[C@@H]1COCC[C@H]1CNC(=O)c1c(F)ccc(O)c1O	1330676380	HRLKPCJYBGMAOZ-GZMMTYOYSA-N	299.298	1.018	10	20	CDCD	
CC(C)(C)NCC(=O)NCc1ccc(O)cc1O	1332645724	GBGVNCMEPBGXNJ-UHFFFAOYSA-N	252.314	1.102	10	20	CDCD	
COC[C@@H]1CN(Cc2ccc(OC)c(OC)c2O)CCO1	1355225811	JYVQRVBGAPMVGE-LBPRGKRZSA-N	297.351	1.257	10	20	CDCD	
Oc1cc2c(cc1CNCCOCC1CC1)OCO2	224530130	AUYQWTDSFPRGIJ-UHFFFAOYSA-N	265.309	1.637	10	20	CDCD	
CC(C)(CNC(=O)Nc1ccc(N)cc1)CC(=O)O	1603636476	UDESSGXYJRIEPN-UHFFFAOYSA-N	265.313	1.891	10	20	CDCD	
O=C(O)CN(Cc1cc(Cl)ccc1O)C(=O)C(F)F	1602057880	ZQUNADCRAUALHR-UHFFFAOYSA-N	293.653	1.724	10	20	CDCD	
O=C(O)c1cc(C(=O)NCc2cccc(Cl)c2O)on1	1602246939	CECRCKIJYUXNQO-UHFFFAOYSA-N	296.666	1.662	10	20	CDCD	
C[C@@H](NCCCNS(C)(=O)=O)c1ccc(N(C)C)cc1	121169218	QCCAPCWOLNROJC-GFCCVEGCSA-N	299.440	1.343	10	20	CDCD	
C[C@H]1CCCN(C(=O)Cc2ccc(O)c(O)c2)[C@H]1C(=O)O	1573728083	WMAOEPKBYQBZFR-LKFCYVNXSA-N	293.319	1.352	10	20	CDCD	
Oc1cc(F)c(F)cc1CNCC12CC(CN1)C2	1580888437	LAYPDYBBOIDAKF-UHFFFAOYSA-N	254.280	1.512	10	20	CDCD	
CCOc1ccc(CN2CCC[C@H](O)[C@H]2C(=O)O)c(O)c1	1597102329	VXVGNXVDUOURPI-JSGCOSHPSA-N	295.335	1.201	10	20	CDCD	
CCOc1ccc(O)c(CN2CCC[C@@H](O)[C@@H]2C(=O)O)c1	1597130551	SHEHLBUGWKWASZ-ZIAGYGMSSA-N	295.335	1.201	10	20	CDCD	
Nc1ccc(CC(=O)NCCCn2cccn2)cc1	134449973	KGTDMURHGAIGNZ-UHFFFAOYSA-N	258.325	1.214	10	20	CDCD	
C[C@H](N[C@@H](CO)CC(F)F)c1cc(C(=O)O)ccc1O	1593211223	VWBNJLPXSSEPFJ-IONNQARKSA-N	289.278	1.757	10	20	CDCD	
CN1CCCc2cc(CNC(=O)[C@@H]3CSCN3)ccc21	166478593	SIJIHDAEPVDRBG-ZDUSSCGKSA-N	291.420	1.348	10	20	CDCD	
O=[N+]([O-])c1ccc(O)c(CN[C@H]2CC[C@H](CO)CC2)c1	153104235	WJJIIYDLSJWQHB-KLPPZKSPSA-N	280.324	1.941	10	20	CDCD	
CNCC1CCN(Cc2c(O)cccc2OC)CC1	843049872	VQOYUTUIBJNFIS-UHFFFAOYSA-N	264.369	1.832	10	20	CDCD	
Cc1cccc(O)c1CN1CCC[C@@H](S(C)(=O)=O)C1	877368175	SDZKIXVXJZILKA-GFCCVEGCSA-N	283.393	1.710	10	20	CDCD	
Cc1ccc(CNC[C@]2(O)CCO[C@@H]2C)c(O)c1	877489019	JPMCHYNYLPWVFS-BXUZGUMPSA-N	251.326	1.330	10	20	CDCD	
Cc1ccc(CNCCN2CCC(O)CC2)c(O)c1	877572341	PMWDLGNXMXKHRA-UHFFFAOYSA-N	264.369	1.247	10	20	CDCD	
Cc1cccc(O)c1CNCCO[C@H]1CCOC1	897201740	MFZLRVOCHVAGKT-LBPRGKRZSA-N	251.326	1.596	10	20	CDCD	
COc1ccc(O)c([C@H](C)N[C@@H]2CCCCNC2=O)c1	36977193	PEDRWSPSDWCGJH-GXFFZTMASA-N	278.352	1.720	10	20	CDCD	
CCn1cc(S(=O)(=O)Nc2ccc(O)cc2)nc1C	50265863	XCFRWWZLNNKTGO-UHFFFAOYSA-N	281.337	1.718	10	20	CDCD	
COc1cc(Cl)cc(CNCCN2CCCC2=O)c1O	405416291	BNGXDVYCOXLKOJ-UHFFFAOYSA-N	298.770	1.766	10	20	CDCD	
CCCNC(=O)CCN[C@@H]1CCc2cccc(O)c21	311852386	JGJHXGWCTHXLBH-GFCCVEGCSA-N	262.353	1.885	10	20	CDCD	
CCc1cccc(CN[C@@H](C)CN2CCOCC2)c1O	709510077	QRZPRZMYYFLNPC-ZDUSSCGKSA-N	278.396	1.765	10	20	CDCD	
CO[C@@H]1COC[C@@H]1N[C@@H](C)c1ccc(C)cc1O	840826985	YVRHBTBSAAWXIH-VHRBIJSZSA-N	251.326	1.765	10	20	CDCD	
Cc1ccc(C(=O)NC[C@@H](C)C[C@@H](C)O)c(O)c1O	179512727	LSUBQQJLDUBVKJ-WCBMZHEXSA-N	267.325	1.543	10	20	CDCD	
Cn1cnc(C(=O)NCCCSc2nccs2)c1	178240411	GEJUTJZXWZSMOQ-UHFFFAOYSA-N	282.394	1.789	10	20	CDCD	
COc1ccc(O)c(CN2CCC(CC(N)=O)CC2)c1	179720232	UDEQFWZYZFJKQP-UHFFFAOYSA-N	278.352	1.488	10	20	CDCD	
Cc1nnsc1C(=O)NCCc1ccc(N)cc1	63129728	SJONUBZSLAGCQW-UHFFFAOYSA-N	262.338	1.401	10	20	CDCD	
CCCN(CCO)Cc1ccc(N2CCOCC2)c(F)c1	305733393	OWLKNGGAOIDOBN-UHFFFAOYSA-N	296.386	1.867	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2n[nH]c3c2CCC3)cc1	126253801	IYOPGMRFTKUHMP-UHFFFAOYSA-N	284.363	1.894	10	20	CDCD	
CCCOc1ccc([C@H]2NC(=O)CN2CC)c(O)c1	189860220	OTJWKVHHCGQPJJ-AWEZNQCLSA-N	264.325	1.631	10	20	CDCD	
CCOC(=O)NCCC(=O)N(C)Cc1ccccc1O	48606768	MPENHGUMZGVHRR-UHFFFAOYSA-N	280.324	1.487	10	20	CDCD	
Cc1cc(NS(=O)(=O)c2ncc[nH]2)ccc1O	380227941	PHUSULUKZZHESW-UHFFFAOYSA-N	253.283	1.225	10	20	CDCD	
CC(=O)c1cc(F)cc(CN(C[C@H](C)O)[C@@H](C)CO)c1O	190928877	IFIICSBFLGREMH-UWVGGRQHSA-N	299.342	1.298	10	20	CDCD	
CC(C)(O)C(C)(C)NC(=O)c1cccc(O)c1O	228871110	CCZPABHENPANDO-UHFFFAOYSA-N	253.298	1.377	10	20	CDCD	
CC(C)N(CCS(C)(=O)=O)Cc1ccccc1O	179581205	QIGRJUARXDYCAG-UHFFFAOYSA-N	271.382	1.647	10	20	CDCD	
Nc1ccc(CCNC(=O)[C@H]2Cc3ccccc3CN2)cc1	237948656	YYUZQERYQNXODS-QGZVFWFLSA-N	295.386	1.642	10	20	CDCD	
COC(=O)[C@H]1CN(Cc2cc(C)ccc2O)CCO1	93082975	JUUALYVAWSBAHV-CYBMUJFWSA-N	265.309	1.074	10	20	CDCD	
CNC(=O)CCCN[C@@H](C)c1cc(C(=O)OC)ccc1O	273566884	JVPAIZYDTXADII-JTQLQIEISA-N	294.351	1.356	10	20	CDCD	
Cc1ccc(C(=O)N2CC[S@@](=O)C[C@@H](C)C2)c(O)c1O	277706829	WIZQNIPURYXVHU-GWNMQOMSSA-N	297.376	1.247	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCn1ccnc1	274887891	CDZCPBUKETZUAP-LLVKDONJSA-N	289.335	1.432	10	20	CDCD	
CC(C)[C@@]1(CO)CCN(Cc2cc3c(cc2O)OCO3)C1	378133042	RFYSEANAJWDEPD-INIZCTEOSA-N	293.363	1.961	10	20	CDCD	
CCOC1CC(O)(CN[C@@H](C)c2ccccc2O)C1	278552717	VXEJSTYYCFCSEF-BZUNDVKYSA-N	265.353	1.973	10	20	CDCD	
Cc1cccc(CN2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)c1O	373738390	OUOLCIRVARQHHR-IACUBPJLSA-N	274.364	1.786	10	20	CDCD	
c1csc(SCc2nnnn2CC2CCOCC2)n1	373070679	PCJFAVLATGKIIW-UHFFFAOYSA-N	297.409	1.849	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC[C@@H](CO)[C@@H]2CCOC2)c1	280427689	BORYMTDDPCPHBA-XQQFMLRXSA-N	295.379	1.696	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)c2cn(C)nn2)cc1	288773294	GOJKGPTZPWNXEP-UHFFFAOYSA-N	287.367	1.591	10	20	CDCD	
Cc1cc(C)c([C@H](C)NCC(=O)N2CCOCC2)c(O)c1	294860371	SXZAQXSTXIMVOB-ZDUSSCGKSA-N	292.379	1.518	10	20	CDCD	
C[C@H](NC(=O)C(=O)N(C)C1CC1)c1ccc(N(C)C)cc1	807674065	FQPSLEADRGRMBY-NSHDSACASA-N	289.379	1.551	10	20	CDCD	
CCOc1ccc(O)c(CN(C)[C@H](CC)CO)c1	295190913	XGIJDZQOSYFMIF-GFCCVEGCSA-N	253.342	1.994	10	20	CDCD	
CN(Cc1ccc(N2CCOCC2)cc1)C[C@@H](O)C1CC1	809751137	CPQBZRDZQOKXKU-QGZVFWFLSA-N	290.407	1.726	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)NOCCC1CC1	817436885	CGUYGXUUQAUFAD-XQRVVYSFSA-N	263.293	1.959	10	20	CDCD	
C[C@@H](CC(=O)O)C(=O)NCc1ccc(N(C)C)cc1	827295160	FIILACHCDIPWAH-JTQLQIEISA-N	264.325	1.480	10	20	CDCD	
C[C@@H]1C[C@@H](NC(=O)NCc2ccccc2O)CO1	826035909	NQIQXQIBUASFMP-MWLCHTKSSA-N	250.298	1.369	10	20	CDCD	
CN(C)c1ccc(CN2C[C@@H]3CCNC[C@@H]3C2)cc1F	904420796	FRSIYNQVONMUBI-UONOGXRCSA-N	277.387	1.933	10	20	CDCD	
CC[C@H](O)[C@H](C)C(=O)N[C@@H](C)c1cc(OC)ccc1O	901128045	UDBLILBIGCTLNI-KWBADKCTSA-N	281.352	1.985	10	20	CDCD	
COc1ccc(CNC(=O)[C@H]2CC2(F)F)c(O)c1	831032326	CCGYPDNEIOCKAA-SECBINFHSA-N	257.236	1.672	10	20	CDCD	
C[C@@H]1CC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)O1	837282171	HANLXBMAHIUGEE-STBQQDIQSA-N	277.320	1.795	10	20	CDCD	
CCN(CC)c1ccc(CN2CCOC[C@H]2C(=O)O)cc1	901983631	CWBLJYUDONXYCO-HNNXBMFYSA-N	292.379	1.818	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1CCOC[C@H]1C(=O)O	901987645	LBPBCYRGVPCEPF-AWEZNQCLSA-N	278.352	1.346	10	20	CDCD	
CCCCN1CC(=O)N[C@@H]1c1cc(C(=O)O)ccc1O	736995191	KNCVALNAFTTZOS-ZDUSSCGKSA-N	278.308	1.321	10	20	CDCD	
COc1cccc([C@H](C)N[C@@H](C)CC(N)=O)c1O	846143920	AVKOVUZQBIUHTI-IUCAKERBSA-N	252.314	1.315	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)[C@@H]1CCc2ncncc2C1	910943816	IBDPGEWZOIUDEQ-SNVBAGLBSA-N	299.330	1.309	10	20	CDCD	
Oc1ccc(F)cc1CNCc1nc([C@H]2CCCO2)n[nH]1	848924691	YDRJFLXITWPYLD-GFCCVEGCSA-N	292.314	1.791	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)NCCN)cc1	841719295	IEYIIYQDFCVXRU-UHFFFAOYSA-N	264.373	1.291	10	20	CDCD	
Cc1nc(C)c(CC(=O)NCc2ccccc2O)c(O)n1	748345983	TZYZERCGLBPUEU-UHFFFAOYSA-N	287.319	1.364	10	20	CDCD	
CN(C)c1ccc(CN2CCCNCC2)cc1F	843046939	AMHZXFCUAIBKBG-UHFFFAOYSA-N	251.349	1.687	10	20	CDCD	
COc1cccc([C@H](C)N[C@H](C)[C@@H]2CN(C)CCO2)c1O	846157260	SVDTUDCDWFTXSY-ZOWXZIJZSA-N	294.395	1.771	10	20	CDCD	
CCOCCONC(=O)NCc1cc(C)ccc1O	858369514	JQXNPTCBLALXLU-UHFFFAOYSA-N	268.313	1.468	10	20	CDCD	
COC(=O)C[C@@H](CNC(=O)Cc1ccc(N)cc1)C1CC1	852910224	OVGGPYOGVPYHNN-ZDUSSCGKSA-N	290.363	1.517	10	20	CDCD	
Cc1nc(N)nc(C)c1C(=O)NCc1ccccc1O	857471724	IYDCQYNWORMYGI-UHFFFAOYSA-N	272.308	1.311	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)N[C@H](C)c2cnn(C)c2)c1	858245048	BNNKMQCBJXWYRD-LLVKDONJSA-N	288.351	1.995	10	20	CDCD	
CO[C@](C)(C(=O)O)C(=O)N(C)Cc1ccc(N(C)C)cc1	852943741	YFVGMRDNPPPFKO-HNNXBMFYSA-N	294.351	1.201	10	20	CDCD	
CCn1cc(CNCc2cc(C)c(C)cc2O)nn1	850366359	VFEWUUZPLGOSMW-UHFFFAOYSA-N	260.341	1.910	10	20	CDCD	
CCN1C[C@H](NCc2cc(F)c(N(C)C)cc2F)CC1=O	858173277	YAVZNOIDRDBAAI-LLVKDONJSA-N	297.349	1.741	10	20	CDCD	
C[C@H](NCc1ccc(C(N)=O)nc1)c1cc(F)ccc1O	756641709	YGWKQGXTJMFTKQ-VIFPVBQESA-N	289.310	1.876	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC[C@H](O)CN(C)C(C)C)c1	851900170	QLRWOVWOBIGQRP-OLZOCXBDSA-N	296.411	1.753	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2coc(C(N)=O)c2)cc1	758973397	OQQAPGFJTAHYIA-UHFFFAOYSA-N	287.319	1.375	10	20	CDCD	
COC(=O)CN1CCC(NCc2cc(C)ccc2O)CC1	862476636	WZQHFBOFYRLTFH-UHFFFAOYSA-N	292.379	1.428	10	20	CDCD	
O[C@H]1CCC[C@@H]1NCc1ccc(N2CCOCC2)c(F)c1	865736547	JSDCGCLNJZXWHU-HOCLYGCPSA-N	294.370	1.665	10	20	CDCD	
CCOc1ccc(CNC2(CO)CCC2)c(O)c1	767929270	MNEFYKZOFRTDSN-UHFFFAOYSA-N	251.326	1.796	10	20	CDCD	
CCN1CCN([C@@H](C)CNCc2c(C)cccc2O)CC1	876931391	NLRZRNXAXWGWHY-HNNXBMFYSA-N	291.439	1.816	10	20	CDCD	
C[C@H](NS(=O)(=O)N(C)C)c1ccc(N(C)C)cc1	773088256	NXTAYWLQEPXMOC-JTQLQIEISA-N	271.386	1.210	10	20	CDCD	
Oc1cc(F)c(Cl)cc1CN[C@H]1COC[C@H]1O	877669118	ZOXMIHHAPDRGKI-GXSJLCMTSA-N	261.680	1.034	10	20	CDCD	
CN(C(=O)/C=C\c1cnn(C)c1)c1ncccc1F	771486290	RCFGELYEWZESFS-WAYWQWQTSA-N	260.272	1.630	10	20	CDCD	
Cc1ccc(CNCc2nc(N(C)C)no2)c(O)c1	877410421	DXKLHRFMQUPXED-UHFFFAOYSA-N	262.313	1.439	10	20	CDCD	
CONC(=O)C1CCN(Cc2cc(C)ccc2O)CC1	877786317	DYRPWEYPLCUIGT-UHFFFAOYSA-N	278.352	1.590	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)[C@H]1NC(=O)O[C@H]1C	788656900	YWSJLRBUVXDNCJ-GWCFXTLKSA-N	292.335	1.628	10	20	CDCD	
C[C@H](N[C@H](C)C(=O)N(C)C)c1c(O)cccc1F	886549254	FCWVUVGMHWTHOM-DTWKUNHWSA-N	254.305	1.659	10	20	CDCD	
CS(C)(=O)=NC(=O)[C@@H]1CCCN1Cc1ccccc1O	895202523	RJAOYUQKXXDEMX-LBPRGKRZSA-N	296.392	1.611	10	20	CDCD	
O=C1CN(Cc2cc(F)cc(F)c2O)CN1C1CC1	894596220	NTUWZTVQGJBBPU-UHFFFAOYSA-N	268.263	1.435	10	20	CDCD	
CC1(C)CCN(CCNC(=O)c2cc(O)cs2)C1	890072600	YJBSLZMTPLIQBL-UHFFFAOYSA-N	268.382	1.915	10	20	CDCD	
CCOc1ccc(CN2C[C@H](O)C[C@]2(C)CO)c(O)c1	895329872	KGJHJXTUHJSXBG-IUODEOHRSA-N	281.352	1.109	10	20	CDCD	
COc1ccc(CN2CCOC[C@H](C)C2)c(O)c1OC	892077813	ZBUOQSQCQONAOO-LLVKDONJSA-N	281.352	1.878	10	20	CDCD	
CC[C@H]1COCCN1Cc1cc2c(cc1O)OCO2	96810783	DMWKNFJYTFHQLX-NSHDSACASA-N	265.309	1.732	10	20	CDCD	
CCOc1ccc(N2CCN(C(=O)COC)CC2)cc1	1319604087	QHPVTNIWKANLEC-UHFFFAOYSA-N	278.352	1.380	10	20	CDCD	
C=C/C=C/CCNC(=O)C(=O)N(C)Cc1ccccc1O	1334654899	WYAAUPJRBRJJLT-SNAWJCMRSA-N	288.347	1.599	10	20	CDCD	
Cc1ccc(C(=O)O[C@H]2CCN(C3CC3)C2=O)c(O)c1O	1339929202	OWKZOYPRPQFQEM-NSHDSACASA-N	291.303	1.326	10	20	CDCD	
O=C(O)[C@H](NCc1cc(F)cc(F)c1O)[C@H]1CCOC1	1334053703	CWBLEPXDIKVEPD-WRWORJQWSA-N	287.262	1.250	10	20	CDCD	
COC(=O)[C@](C)(CO)NCc1ccc(N2CCCC2)cc1	1331526418	YACBIRZPVNJEHL-INIZCTEOSA-N	292.379	1.300	10	20	CDCD	
CN(CCN(C)C1CC1)C(=O)NCc1ccc(N)cc1	1346738783	KWXZGFIHBZRPML-UHFFFAOYSA-N	276.384	1.504	10	20	CDCD	
O=C(C[C@@H]1CCCO1)NCc1cccc(O)c1O	1347233310	HWIAOIUOVRUVEX-JTQLQIEISA-N	251.282	1.283	10	20	CDCD	
O=C(CCC1CCOCC1)NCc1cccc(O)c1O	1521851291	JOABFNJGPZMPKH-UHFFFAOYSA-N	279.336	1.921	10	20	CDCD	
C[C@H](C(=O)NCc1cccc(O)c1O)N1CCCCCC1	1528771819	ZWEIYIRYIHKSKA-GFCCVEGCSA-N	292.379	1.979	10	20	CDCD	
O=C(O)CN(CC1CC1)C(=O)/C=C/c1ccc(O)c(O)c1	1606227035	AOIYTSSKLRBKSU-GQCTYLIASA-N	291.303	1.434	10	20	CDCD	
Nc1ccc(CC(=O)N2CC(F)(F)OC(F)(F)C2)cc1	1580442652	ACCMVAYZSAVODP-UHFFFAOYSA-N	292.232	1.856	10	20	CDCD	
C[C@@H](NCCSCCCO)c1cc(C(=O)O)ccc1O	1593271653	KEGQGCWDXIKWLV-SNVBAGLBSA-N	299.392	1.857	10	20	CDCD	
C[C@](CCF)(NCc1cc(F)c(F)cc1O)C(=O)O	1592505349	ANEXYBXNHGGUPB-GFCCVEGCSA-N	277.242	1.963	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)c1ccnc(F)c1	159132857	MZEOOZABSCGEFA-UHFFFAOYSA-N	262.240	1.562	10	20	CDCD	
CCS(=O)(=O)CCNCc1ccc2c(c1)CCCO2	921667710	UPEDKUBBSGXKBK-UHFFFAOYSA-N	283.393	1.536	10	20	CDCD	
Oc1cccc(Cl)c1CNC[C@@H]1CN2CCC[C@H]2CO1	252674326	QFTJDBXOORTOFQ-NWDGAFQWSA-N	296.798	1.998	10	20	CDCD	
CC[C@@H](NCC(=O)NCC(F)F)c1ccccc1O	271739584	VCODNIFCXQEAGK-SNVBAGLBSA-N	272.295	1.814	10	20	CDCD	
COCCOCCN[C@H](C)c1cc(OC)ccc1O	44693651	MBVZQWQWJZGAKZ-LLVKDONJSA-N	269.341	1.714	10	20	CDCD	
COC[C@@H]1CN(Cc2cc(OC)ccc2O)CCO1	180327490	HALRJXSHMOKFEW-ZDUSSCGKSA-N	267.325	1.248	10	20	CDCD	
CCCN(CC(N)=O)Cc1c(O)cccc1Cl	310453741	WFLMSYWXILAMNQ-UHFFFAOYSA-N	256.733	1.743	10	20	CDCD	
C[C@H]1SCC[C@H]1NC(=O)c1cccc(O)c1O	310454736	CONJKHWLVGKLLO-VXNVDRBHSA-N	253.323	1.722	10	20	CDCD	
C[C@@H](NCc1cc(F)cc(F)c1O)c1nncn1C	708494563	LYFJOMPGRVBRQO-SSDOTTSWSA-N	268.267	1.650	10	20	CDCD	
OC1(CNCc2ccc(N3CCCC3)cc2)CCOCC1	112717276	BDUXHNHAGJDNAU-UHFFFAOYSA-N	290.407	1.918	10	20	CDCD	
C[C@H](NCC(C)(C)C(N)=O)c1ccc(F)cc1O	186220260	KSDDYCNXMATTHO-QMMMGPOBSA-N	254.305	1.693	10	20	CDCD	
C[C@@H](NC[C@H]1CCCN1S(C)(=O)=O)c1ccccc1O	183628615	HSTJVMHVNREZKL-VXGBXAGGSA-N	298.408	1.467	10	20	CDCD	
CN1CCCc2cc(CNC(=O)c3cnn(C)c3N)ccc21	181192061	PGNSHTFXGWRTCB-UHFFFAOYSA-N	299.378	1.315	10	20	CDCD	
CCOc1cccc(CNC2(CO)CCC2)c1O	133138506	QCIDJUBKEDXICC-UHFFFAOYSA-N	251.326	1.796	10	20	CDCD	
COc1ccc(N(Cc2nnn(C)n2)C(C)C)cc1F	193466446	RKRSGPTUGRDGHI-UHFFFAOYSA-N	279.319	1.773	10	20	CDCD	
CCOCCO[C@@H](C)C(=O)NCCc1ccc(O)c(O)c1	269194101	KTWTXMCWLIZHAU-NSHDSACASA-N	297.351	1.198	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CC[C@H]2CCNC2)cc1F	270295334	ACAUKLXZQFODFC-LBPRGKRZSA-N	293.386	1.898	10	20	CDCD	
COC(=O)[C@H]1COCCN1Cc1cc(C)c(C)cc1O	271193000	QFQSGNLJDJTHSG-CYBMUJFWSA-N	279.336	1.383	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@@H]2CCC[C@H]2O)c1	273506936	RCMJUSBJACZJEE-MRCXROJRSA-N	279.336	1.743	10	20	CDCD	
C[C@@]1(O)CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1	272589151	FTILLPRIWDGXAE-LYKUJDHUSA-N	263.293	1.094	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC[C@H](O)c2cnn(C)c2)c1	273460904	CQWVZAXEUSOEDU-BMIGLBTASA-N	291.351	1.519	10	20	CDCD	
CCOC(=O)[C@H](C)[C@H](C)NC(=O)c1cccc(O)c1O	286066278	MDNWLCKXOHQNEO-BDAKNGLRSA-N	281.308	1.415	10	20	CDCD	
O=C(c1c(F)ccc(O)c1O)N1CCOC2(CCC2)C1	297096767	KYWWRLHJLWSCRK-UHFFFAOYSA-N	281.283	1.632	10	20	CDCD	
CCOC(=O)C(C)(C)ONC(=O)c1cccc(O)c1O	295558632	MREWBXQUFNVVNZ-UHFFFAOYSA-N	283.280	1.101	10	20	CDCD	
CC(C)n1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)nn1	806571468	IJCLCZDNINQBJQ-MDWZMJQESA-N	297.318	1.320	10	20	CDCD	
COC[C@@]1(CN[C@@H](C)c2cc(F)ccc2O)CCCN1	817974929	OKKPUWCRXDYFPX-NHYWBVRUSA-N	282.359	1.951	10	20	CDCD	
COc1ccc(O)c(CNC(=O)NOC/C=C\Cl)c1	812043788	PYZSZAYTMQIELY-DJWKRKHSSA-N	286.715	1.884	10	20	CDCD	
C[C@H](N[C@H]1[C@@H]2CNC[C@@H]21)c1cc([N+](=O)[O-])ccc1O	817977653	NGSCTFGJYBXLKD-UVRHIYEWSA-N	263.297	1.169	10	20	CDCD	
C[C@H](NC(=O)c1cccc(O)c1O)c1ccnc(O)c1	818026737	JJFJZWDGRIXRME-QMMMGPOBSA-N	274.276	1.689	10	20	CDCD	
CCOC(=O)CN(Cc1ccccc1O)C[C@H](O)CC	823582138	ZNBFCUGODHGANC-CYBMUJFWSA-N	281.352	1.528	10	20	CDCD	
Cc1ncccc1/C=C1\SC(N2CCOCC2)=NC1=O	728786143	SFPLJDICMGAYJS-XFXZXTDPSA-N	289.360	1.693	10	20	CDCD	
COC(OC)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	822082080	IVCGSWQWEXAYIO-JTQLQIEISA-N	266.341	1.549	10	20	CDCD	
CC(C)OC[C@H](C(=O)O)N(C)Cc1cccc(F)c1O	833505744	NAOBPQBXHBLITF-GFCCVEGCSA-N	285.315	1.841	10	20	CDCD	
COc1cccc(CNC(=O)CC(C)(C)CC(=O)O)c1O	833735742	USVQKRNVORFLKI-UHFFFAOYSA-N	295.335	1.908	10	20	CDCD	
NC1(CNCc2cccc(Br)c2O)CC1	904449189	FZVKIGXGWLHXHT-UHFFFAOYSA-N	271.158	1.736	10	20	CDCD	
CC(C)(C)C(=O)N1CCN(C(=O)c2cc(O)cs2)CC1	732269330	QRGGCTIDUODTOX-UHFFFAOYSA-N	296.392	1.784	10	20	CDCD	
C[C@H](OC(=O)c1cccc(O)c1O)C(=O)C1CCOCC1	837647806	KIQUXFHKFQYISA-VIFPVBQESA-N	294.303	1.639	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCSC[C@H]1CCO	830565871	YZQDFCLJIZSMHF-MRVPVSSYSA-N	273.379	1.394	10	20	CDCD	
C[C@H](C(=O)NCc1ccc(O)cc1O)N1CCCCCC1	910953394	AIRASMSHCLDIBT-GFCCVEGCSA-N	292.379	1.979	10	20	CDCD	
CC(C)(C)OC(=O)CCC(=O)NCc1ccc(O)cc1O	910947763	MGRYFKVCWMKNJX-UHFFFAOYSA-N	295.335	1.836	10	20	CDCD	
COC(=O)[C@H]1C[C@@H](O)CN(Cc2cc(C)c(C)cc2O)C1	843433835	DZSRJBXOVYCMKW-UONOGXRCSA-N	293.363	1.365	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN(C)CC(C)(C)CN)c1O	843056020	CHDUMYBSIPOSIZ-UHFFFAOYSA-N	297.355	1.726	10	20	CDCD	
CCN(C)c1ccc(CN2CCO[C@@H](C(=O)O)C2)cc1	846273598	ZJWIDVBBZVLFPI-CQSZACIVSA-N	278.352	1.428	10	20	CDCD	
Oc1ccc(F)cc1CNCC[C@@]1(O)CCCOC1	846110623	YPWRGACRPJOBCQ-AWEZNQCLSA-N	269.316	1.553	10	20	CDCD	
CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(N)cc2)CCS1	841053179	NAEJEXHMQVATPZ-GFCCVEGCSA-N	293.392	1.561	10	20	CDCD	
CCC[C@@H](CC)NC(=O)C(=O)Nc1ccc(N)cc1	841023338	AZAWJEUHTPOWHF-LLVKDONJSA-N	263.341	1.902	10	20	CDCD	
C[C@H]1NCCN(C(=O)NCc2ccc(N(C)C)cc2)[C@@H]1C	841652783	GDXRPQXUVBWIDI-CHWSQXEVSA-N	290.411	1.644	10	20	CDCD	
COC1(C(=O)NCc2ccc(O)cc2O)CCCC1	910947544	GPRQTJBYDMZPOL-UHFFFAOYSA-N	265.309	1.673	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@H](C)Cc2cnc[nH]2)c1	847590898	KDCCANXXIZICEX-SNVBAGLBSA-N	289.335	1.619	10	20	CDCD	
COc1cc(O)c(CNCC(C)(C)N)cc1OC	841029862	BSGGXWRBAZKNDK-UHFFFAOYSA-N	254.330	1.236	10	20	CDCD	
CO[C@H](CC(=O)NCc1ccccc1O)C(F)(F)F	845832298	AXTDTALXYHGSRF-SNVBAGLBSA-N	277.242	1.976	10	20	CDCD	
CCc1cccc(CN[C@H]2CCC[C@@H]2C(=O)NC)c1O	848900022	WZDKYGALTNGOPY-KBPBESRZSA-N	276.380	1.959	10	20	CDCD	
CCN[C@H](C)CNCc1ccc(N(C)C)c(F)c1	841064256	AMCWZFXJQWPXDQ-LLVKDONJSA-N	253.365	1.979	10	20	CDCD	
CNC(=O)C[C@H](C)NCc1cc(F)c(N(C)C)cc1F	858174497	RTFDOUMUJIBKKD-VIFPVBQESA-N	285.338	1.645	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCO[C@@H]1CN	852882633	NFDODTPHKQMNAP-LSDHHAIUSA-N	291.395	1.075	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)OCc1ccon1	759593087	IUFGAIAZIWWTKO-DUXPYHPUSA-N	261.233	1.842	10	20	CDCD	
CN1CCN(C)[C@H](CNCc2ccc3c(c2)CCCO3)C1	921724409	IZSQDUOXSQYJLC-MRXNPFEDSA-N	289.423	1.347	10	20	CDCD	
CN(C[C@@H](O)COC[C@H]1CCCO1)c1ccc(N)cc1	923401205	RXUOQDVBCMVXMY-HUUCEWRRSA-N	280.368	1.262	10	20	CDCD	
Nc1ccc(CNCC(=O)NCC(F)(F)F)cc1	1356082713	DLGQJXOKYOFBGD-UHFFFAOYSA-N	261.247	1.037	10	20	CDCD	
Oc1cc2c(cc1CN1CC[C@@H]3C[C@H]3C1)[C@@H](O)CO2	853577705	VENGJGFXRITEJC-BFVZDQMLSA-N	261.321	1.660	10	20	CDCD	
OC1CCN(c2ccc(CNCC3(O)CCC3)cc2)CC1	853121218	BHROIKOHGYGELR-UHFFFAOYSA-N	290.407	1.652	10	20	CDCD	
COC[C@H](C)CC(=O)NCc1cc(C)ccc1O	862758281	VPRFIJLRCJZWOU-LLVKDONJSA-N	251.326	1.989	10	20	CDCD	
COCc1cc(C(=O)NCc2ccc(O)c(O)c2)no1	768914678	DWEAVVWRTMKUAR-UHFFFAOYSA-N	278.264	1.162	10	20	CDCD	
CC1=CCN(Cc2cc3c(cc2O)OC[C@H]3O)CC1	768465912	SHZBPHVZZFOJKD-CQSZACIVSA-N	261.321	1.970	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccnc1O	763282616	ZTCMZBZHJASJCJ-VIFPVBQESA-N	288.303	1.559	10	20	CDCD	
COc1cccc(O)c1CNCC1(N2CCOCC2)CC1	766223670	ILTLRXXCDQDTHJ-UHFFFAOYSA-N	292.379	1.355	10	20	CDCD	
COc1nc(C)ccc1C(=O)NCc1ccc(O)c(O)c1	778918619	LNVJGTTVMPHLHR-UHFFFAOYSA-N	288.303	1.740	10	20	CDCD	
C[C@@H](CN(C)C)NCc1ccc(N2CCC(O)CC2)cc1	877524042	QUJRRLYGEPYJMF-AWEZNQCLSA-N	291.439	1.687	10	20	CDCD	
CO[C@H]1COCC[C@H]1CNCc1ccc(C)cc1O	877563765	PHGNIZAYXKGNCA-ZFWWWQNUSA-N	265.353	1.842	10	20	CDCD	
O=C(O)C1CC(NC(=O)N2Cc3cccc(O)c3C2)C1	874424973	RYPFCKDILQBXRJ-UHFFFAOYSA-N	276.292	1.281	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2CC[C@@H](OC)C2)c1O	774904143	CGAWOFSPXHCKNM-SNVBAGLBSA-N	282.296	1.530	10	20	CDCD	
OC[C@@H]1CCN(Cc2ccc(N3CCC(O)CC3)cc2)C1	876660384	SCVHFBBBAOPRPP-OAHLLOKOSA-N	290.407	1.462	10	20	CDCD	
CS[C@@H](C)C(=O)NCCc1ccc(O)c(O)c1	269113531	CCYSLTNNBKNIRB-QMMMGPOBSA-N	255.339	1.508	10	20	CDCD	
CCCN(C)CC(=O)N[C@H](C)Cc1ccc(O)c(O)c1	773750104	UFKNHSMAXMBRMJ-LLVKDONJSA-N	280.368	1.487	10	20	CDCD	
CN1CCN(c2ccc(CN3CCC(O)CC3)cc2)CC1	775642371	GLPBEDYAOLQNDE-UHFFFAOYSA-N	289.423	1.395	10	20	CDCD	
CCN(C)c1ccc(CN2C[C@@H](C)O[C@@H](CO)C2)cc1	773888636	LBCIUAMDEFJBCN-CZUORRHYSA-N	278.396	1.724	10	20	CDCD	
C[C@@H]1OC(=O)N[C@H]1C(=O)N(C)Cc1ccc(N(C)C)cc1	788627170	PGKZYGSFYOWFCN-GXFFZTMASA-N	291.351	1.208	10	20	CDCD	
CO[C@H](C)CN(C)CC(=O)NCc1ccc(N(C)C)cc1	796640987	QQCYWVMSYHHVFW-CYBMUJFWSA-N	293.411	1.336	10	20	CDCD	
CC(=O)NCCC1=CCN(c2cc(C)nc(C)n2)CC1	1089802458	OXOPEEWXRAWCIU-UHFFFAOYSA-N	274.368	1.756	10	20	CDCD	
COc1cccc(O)c1CN1CC[C@@H]2COC(=O)N[C@H]2C1	1329513634	HGONCLJLFGHXKU-PWSUYJOCSA-N	292.335	1.331	10	20	CDCD	
CSC[C@H](CCO)NCc1cc(F)cc(F)c1O	1331538151	WINUPTWIWWUOJO-JTQLQIEISA-N	277.336	1.874	10	20	CDCD	
O=C(NCc1cccc(O)c1O)[C@H](F)C(F)(F)F	1263894330	BAVRQZDTLXPYQV-QMMMGPOBSA-N	267.178	1.614	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@H](N)C(C)(C)C	1576051413	BMDPWALCDQSXQR-HZMBPMFUSA-N	294.395	1.909	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@]1(C)CCCN1	1577940064	ZEMIWUIXPBXSES-HNNXBMFYSA-N	283.368	1.636	10	20	CDCD	
C[C@H](NCC1CCNCC1)c1cc(C(=O)O)ccc1O	1593257567	QCQCPYXGAYKMRA-JTQLQIEISA-N	278.352	1.741	10	20	CDCD	
C[C@H](C(=O)O)N(C)C(=O)c1ccc(N=NC(N)=O)cc1	1599885801	RODAAYDGFUTPLR-SSDOTTSWSA-N	278.268	1.394	10	20	CDCD	
C[C@H](CNCc1ccc(N2CC[C@@H](O)C2)cc1)C(=O)O	1776425280	FECBZILWNRHUCJ-BXUZGUMPSA-N	278.352	1.068	10	20	CDCD	
CN1CCC[C@H](CNC(=O)c2cccc(O)c2O)C1	126352527	LMNDCWGFJQLEMB-SNVBAGLBSA-N	264.325	1.169	10	20	CDCD	
Nc1ccc(NC(=O)N[C@H](CO)C[C@@H]2CCCO2)cc1	886961915	ZYZQAEQDIXFARZ-STQMWFEESA-N	279.340	1.320	10	20	CDCD	
CN1CCN(C(C)(C)CNCc2ccccc2O)CC1	20200336	GNQZGCSAJAJXAU-UHFFFAOYSA-N	277.412	1.508	10	20	CDCD	
C/C=C\C[C@@H](CO)NC(=O)c1ccc(N=NC(N)=O)cc1	160225825	CIKIKTINLPOSLD-SNVBAGLBSA-N	290.323	1.906	10	20	CDCD	
CC(C)C[C@@](C)(CN)NC(=O)Cc1ccc(N)cc1	262562376	AAZJKHQQQFQUTD-HNNXBMFYSA-N	263.385	1.691	10	20	CDCD	
CCC[C@](C)(N)C(=O)NCc1ccc(N(C)C)cc1	40825915	VEDMWTIRZKAMSI-HNNXBMFYSA-N	263.385	1.886	10	20	CDCD	
COc1cc(Cl)cc(CN[C@]2(CO)CCOC2)c1O	184745460	HJVSYBRYHMPIBE-ZDUSSCGKSA-N	287.743	1.295	10	20	CDCD	
CCOc1cccc(CN2CCO[C@@H](C(=O)O)C2)c1O	86806066	BGTHEJLKENWIOL-GFCCVEGCSA-N	281.308	1.076	10	20	CDCD	
COc1cccc(CN[C@H](C)[C@H]2CCOC2)c1O	135213608	ZKNVKHWQELYFSB-PWSUYJOCSA-N	251.326	1.915	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N[C@@H]2CCC[C@H]2O)cc1	172649762	KGRZBLMLSXHSPM-ZIAGYGMSSA-N	277.368	1.465	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@H]2CCCOC2)c1	114543500	SMYWRCWYCICZFB-JTQLQIEISA-N	265.309	1.444	10	20	CDCD	
CC(=O)NC[C@@H]1CN(Cc2ccc(N(C)C)cc2)CCO1	179707450	LKLBXFHFMUDOSB-MRXNPFEDSA-N	291.395	1.090	10	20	CDCD	
COc1cccc(CN2CCC[C@@]2(C)C(=O)O)c1O	86816409	PMXFISNZBGHQFP-AWEZNQCLSA-N	265.309	1.840	10	20	CDCD	
NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1ccccc1O	368975409	RAYGUIVNLZQVMN-SUHUHFCYSA-N	260.337	1.478	10	20	CDCD	
Cc1nc(CCN[C@H](C)c2cc([N+](=O)[O-])ccc2O)n[nH]1	273496509	XXVBGRSCLGEVRJ-MRVPVSSYSA-N	291.311	1.620	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)C[C@@](C)(O)C1CC1	270213823	LOUIWGXJBDSIDR-OAHLLOKOSA-N	263.337	1.902	10	20	CDCD	
Cc1ccc(C(=O)NC2(C(N)=O)CCCCC2)c(O)c1O	272891565	ZKLUDGFTVCGLEP-UHFFFAOYSA-N	292.335	1.324	10	20	CDCD	
CO[C@@H]1[C@H]2C[C@@H]3CN(C(=O)c4cccc(O)c4O)[C@@H]1[C@H]3C2	376155854	GBWQUELAQCMSQE-YUNJCABUSA-N	289.331	1.593	10	20	CDCD	
COc1ccc(N2CCN(C(=O)[C@@H](C)CN)CC2)cc1F	286107822	NYDIMKZJZMLNEM-NSHDSACASA-N	295.358	1.078	10	20	CDCD	
C[C@H](NCC(=O)N1CCNCC1)c1cc(Cl)ccc1O	817945557	GGDBKAFIRXDZRW-JTQLQIEISA-N	297.786	1.128	10	20	CDCD	
CCN(C)c1ccc(CN(CCO)C[C@H](C)O)cc1	815119899	KBKDSRHHNKFAJG-ZDUSSCGKSA-N	266.385	1.318	10	20	CDCD	
COc1ccc(O)c([C@H](C)NCC(F)(F)CN)c1	817966850	XAMZQTNHVMYWJV-QMMMGPOBSA-N	260.284	1.645	10	20	CDCD	
Cc1ccc([C@@H](C)NCCCN2CCNCC2)c(O)c1	817937345	WTBIVKKVGXZGJQ-CQSZACIVSA-N	277.412	1.647	10	20	CDCD	
Cc1ccc(O)c(CN[C@H]2CCc3nnnn3CC2)c1	817418633	ACARHVMVBBZFNS-LBPRGKRZSA-N	273.340	1.182	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@@](C)(OC)C2CC2)c1	812509994	UUBFOPHKESSRTN-HNNXBMFYSA-N	279.336	1.832	10	20	CDCD	
COc1cccc(CNC(=O)Cn2ccc(C)n2)c1O	825703217	NITHPXWSBUFFPJ-UHFFFAOYSA-N	275.308	1.222	10	20	CDCD	
O=C1NCCN(C(=O)/C=C\c2cccnc2)c2ccccc21	491970403	CQFKWAWUPXEPTK-FPLPWBNLSA-N	293.326	1.871	10	20	CDCD	
C[C@@H](NC(=O)[C@@H]1CCCN(C(N)=O)C1)c1ccccc1O	827923241	MNHIFLXTHJUHBM-GHMZBOCLSA-N	291.351	1.360	10	20	CDCD	
COc1cccc(CN2C[C@@H]3[C@H]4C=C[C@@H](O4)[C@H]3C2)c1O	824838432	NWQLMMJKCWHOGT-IGQOVBAYSA-N	273.332	1.786	10	20	CDCD	
COC[C@@H]1COCCN1Cc1cc(C)cc(OC)c1O	902561910	DGOGYZLIDDLJDR-CYBMUJFWSA-N	281.352	1.556	10	20	CDCD	
C[C@@H](Cn1ccnc1)NC(=O)c1cc(O)cs1	732268760	BIMSGTOXOIPJEE-QMMMGPOBSA-N	251.311	1.469	10	20	CDCD	
C[C@@H](NC[C@H](O)CN(C)C)c1ccc(Cl)cc1O	841765271	WYTLMGVPBKQZRF-KOLCDFICSA-N	272.776	1.619	10	20	CDCD	
CCOC(=O)[C@@H](CC)C(=O)NCc1ccc(O)cc1O	910945743	XFKTUBNDKIIKEB-NSHDSACASA-N	281.308	1.303	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2C[C@H]3C[C@H]3N2)c1	843489469	PJMJFACWVCDXPA-ZFWZSOMGSA-N	276.336	1.328	10	20	CDCD	
C[C@@H](NC[C@]1(O)CCOC1)c1ccc(Cl)cc1O	841751517	NLOVPJVGZBKWMD-NOZJJQNGSA-N	271.744	1.848	10	20	CDCD	
C[C@H](NCCN1CC[C@H](O)C1)c1cc(F)cc(F)c1O	858602255	VAIKMSNLSSCLLK-ONGXEEELSA-N	286.322	1.388	10	20	CDCD	
Cc1cc(CN2CCO[C@H]([C@H](C)N)C2)ccc1N(C)C	923297431	PFADTKYYUGAEEY-BBRMVZONSA-N	277.412	1.609	10	20	CDCD	
CC1(C)C[C@@]1(C(=O)O)C(=O)NCc1ccccc1O	852942278	HMZIOKLRVRTJHT-AWEZNQCLSA-N	263.293	1.509	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@@H]2[C@H]3CCCO[C@H]32)c1	862757598	ZOMTVHXPEBBUDQ-MRVWCRGKSA-N	261.321	1.742	10	20	CDCD	
O=C(NCCO[C@H]1CCCCO1)c1c(F)ccc(O)c1O	863919040	QLPDHVFJWGKUPX-NSHDSACASA-N	299.298	1.510	10	20	CDCD	
CCC[C@H](O)[C@@H](CO)NCc1cc(F)cc(F)c1O	883145765	MWEWMOQQZQYYOZ-NEPJUHHUSA-N	275.295	1.282	10	20	CDCD	
Cn1cc(CCCNC(=O)NCc2ccc(N)cc2)cn1	1120588534	APRPKPUBKXSFID-UHFFFAOYSA-N	287.367	1.434	10	20	CDCD	
CCOC(=O)c1cn(Cc2ccc(N(C)CC)cc2)nn1	881315601	QQKGXNPEWMYECY-UHFFFAOYSA-N	288.351	1.959	10	20	CDCD	
Cn1cnnc1CNCc1cc(Cl)ccc1O	38007571	UJODENYAVCMRTN-UHFFFAOYSA-N	252.705	1.464	10	20	CDCD	
COc1ccc(CNC(=O)c2cccc(=O)n2C)c(O)c1	794390450	JPFDUIUTJKPOQE-UHFFFAOYSA-N	288.303	1.030	10	20	CDCD	
COc1ccc(CNC(=O)NCc2cnn(C)c2)c(O)c1	792842865	VLIIEQUVOFLZQU-UHFFFAOYSA-N	290.323	1.134	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)c1nc(C2CC2)nn1C	798228874	ZVXDHFIUXOTOKD-UHFFFAOYSA-N	286.335	1.670	10	20	CDCD	
C[C@@H](NS(=O)(=O)CC1CCNCC1)c1ccccc1O	905359987	QDUSVAMEGUAGRU-LLVKDONJSA-N	298.408	1.372	10	20	CDCD	
CC(C)c1ncc(C(=O)NCCc2ccc(O)c(O)c2)[nH]1	1324549608	FZXOTSGBFGXRAK-UHFFFAOYSA-N	289.335	1.917	10	20	CDCD	
Cn1nc(C(=O)NCc2ccc(N)cc2)cc1C1CC1	1346208989	DARQBRXNFNGNDD-UHFFFAOYSA-N	270.336	1.810	10	20	CDCD	
CC[C@H](CO)N(C)C(=O)NCc1ccc(N)cc1	1346739376	QFKVVQDRBWJDKW-GFCCVEGCSA-N	251.330	1.181	10	20	CDCD	
COC[C@H](CCO)NCc1ccc(N2CCCC2)cc1	219146609	WLJKGYQANVHYNB-HNNXBMFYSA-N	278.396	1.774	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)N=c1cc[nH]c(C(=O)O)n1	1604233472	WWFCYAFGMZZATN-MRVPVSSYSA-N	289.291	1.051	10	20	CDCD	
N[C@@H]1C[C@H]2CN(Cc3cccc(F)c3O)C[C@@]2(C(=O)O)C1	1601204890	QGCAEGSTTMIOKA-RWSFTLGLSA-N	294.326	1.155	10	20	CDCD	
O=C(O)CCC(=O)Nc1sc2c(c1C(=O)O)CCC2	1608705485	NAVKMHZFLWXGRU-UHFFFAOYSA-N	283.305	1.738	10	20	CDCD	
CCn1nncc1CSc1ncc(C(=O)O)s1	1597982243	KVXCZPAJNSKPNG-UHFFFAOYSA-N	270.339	1.745	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N[C@H]1CC[C@H](CO)CC1	181213418	GSPBHNOXZNDVCU-MIYHDBHMSA-N	291.347	1.778	10	20	CDCD	
CC(C)c1ccc(O)c(CN[C@H]2CCO[C@H]2C(=O)O)c1	1591974421	WMBDSCMTXTVJBT-GXTWGEPZSA-N	279.336	1.847	10	20	CDCD	
C[C@@H](C[S@@](C)=O)NCc1cc(Cl)ccc1O	164287374	FSSFKQVUYKKDNM-PWJLMRLQSA-N	261.774	1.902	10	20	CDCD	
COc1cccc(CN2CCC[C@H](C(N)=O)C2)c1O	154994793	OZIDUBZAWUBFLA-NSHDSACASA-N	264.325	1.098	10	20	CDCD	
C[C@@H](CC(C)(C)O)NCc1cc2c(cc1O)OCO2	295096166	SBVGCDXEGPHBBV-VIFPVBQESA-N	267.325	1.760	10	20	CDCD	
COCC[C@@H](CO)N[C@@H]1CCc2cccc(O)c21	296618227	YZVASYJXAWVAGV-NWDGAFQWSA-N	251.326	1.367	10	20	CDCD	
Cc1ccc(C(=O)NCC(C)(C)C[C@H](C)O)c(O)c1O	179529112	MAWBGQWMNONGNE-JTQLQIEISA-N	281.352	1.933	10	20	CDCD	
CC(C)(C)OC(=O)CNC(=O)CSc1nccs1	115460815	YXPGFGHRBVIJBF-UHFFFAOYSA-N	288.394	1.693	10	20	CDCD	
COC(=O)C[C@@H](C)C(=O)NCc1ccc(N(C)C)cc1	121379754	PNZBRLRLHKENBS-LLVKDONJSA-N	278.352	1.568	10	20	CDCD	
C[C@@H](CS(C)(=O)=O)C(=O)NCc1ccc(N(C)C)cc1	176438320	GQFWLAVYNHSJFQ-NSHDSACASA-N	298.408	1.050	10	20	CDCD	
COc1ccc(N2CCN(Cc3ncc[nH]3)CC2)cc1F	121992456	VUXNWHFDTNNYHW-UHFFFAOYSA-N	290.342	1.880	10	20	CDCD	
COc1cccc(CN2CCC[C@]2(C)C(=O)O)c1O	86816406	PMXFISNZBGHQFP-CQSZACIVSA-N	265.309	1.840	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccnn1C	194004543	SENXKPGKWQKVQA-VIFPVBQESA-N	290.323	1.584	10	20	CDCD	
CN1CCC(C)(CNCc2cc3c(cc2O)OCO3)CC1	227328874	RBJNTYKJVUCGQP-UHFFFAOYSA-N	292.379	1.942	10	20	CDCD	
Nc1ccc(CC(=O)NCC(=O)Nc2ccccc2)cc1	238110515	HVZKLYZFHLBJAH-UHFFFAOYSA-N	283.331	1.566	10	20	CDCD	
CC(C)CCC(=O)NCC(=O)Nc1ccc(N)cc1	236686370	ZADGORBGEWAHBX-UHFFFAOYSA-N	263.341	1.760	10	20	CDCD	
Cc1ccc(C(=O)NCC2(N(C)C)CCC2)c(O)c1O	275870209	JUGSJCLDTAGRDW-UHFFFAOYSA-N	278.352	1.620	10	20	CDCD	
COc1cccc(CN2CCc3n[nH]c(=O)cc3C2)c1O	274988826	YQVSIVYYZZWIRB-UHFFFAOYSA-N	287.319	1.042	10	20	CDCD	
CN(CCc1ccnn1C)c1ccc2c(c1)OCO2	276295124	IRGVGYXYVSHJBW-UHFFFAOYSA-N	259.309	1.828	10	20	CDCD	
COc1cccc(CN2CC[C@H]([C@H](C)O)C2)c1O	272559710	SXBRBXPLXZECGC-QWRGUYRKSA-N	251.326	1.604	10	20	CDCD	
COC(=O)c1cc(O)ccc1NS(=O)(=O)CCC1CC1	274754221	OXQSWWQKMGLMSX-UHFFFAOYSA-N	299.348	1.721	10	20	CDCD	
O=C(NCc1ccccc1O)NC[C@@H]1CCSC1	279148495	BNDZUQWLFIURCA-JTQLQIEISA-N	266.366	1.945	10	20	CDCD	
COC[C@@H](NCc1cccc(OC)c1O)[C@H]1CCCO1	278726645	UAZWACWRSIFOQN-CHWSQXEVSA-N	281.352	1.684	10	20	CDCD	
COC[C@H](NCc1cccc(C)c1O)[C@@H]1CCCO1	279386535	JVKSHXKHLAFBAH-KBPBESRZSA-N	265.353	1.984	10	20	CDCD	
COC(=O)CCCC(=O)NCc1ccccc1O	274118222	SBCWLDLNUYIZFX-UHFFFAOYSA-N	251.282	1.352	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N2CC[C@](F)(CO)C2)cc1	801965044	AKDJPGUXEDJDEB-OAHLLOKOSA-N	295.358	1.369	10	20	CDCD	
COc1cc(Cl)cc(CNC/C=C\CO)c1O	717524650	HKAHBMNVZMCYQH-IHWYPQMZSA-N	257.717	1.692	10	20	CDCD	
C[C@H]1C[C@H](NCC2CNC2)c2c(O)ccc(F)c21	817964885	IKTYNUGAHUVLFV-KWQFWETISA-N	250.317	1.889	10	20	CDCD	
O=C(O)CCNC(=O)NCc1c(O)ccc2c1CCCC2	819490209	OERNYZOCSNAXDT-UHFFFAOYSA-N	292.335	1.545	10	20	CDCD	
CN(CC(=O)NCc1c(O)ccc2c1CCCC2)C(=O)O	828108391	QHJNIRDZFPSMDQ-UHFFFAOYSA-N	292.335	1.497	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@]2(C)CCNC2=O)c1	821065091	KUTAQQIFXSSXJC-RFAUZJTJSA-N	292.335	1.104	10	20	CDCD	
CC(C)S(=O)(=O)CC(=O)N[C@H](C)c1ccccc1O	827930365	IEOZAVMLDKKADB-SNVBAGLBSA-N	285.365	1.393	10	20	CDCD	
Cc1cnn(CC(=O)NCCCSc2nccs2)c1	733884797	YPXSCAQYGIQTCL-UHFFFAOYSA-N	296.421	1.947	10	20	CDCD	
C[C@@H](CN1CCCC1=O)NC(=O)c1cc(O)cs1	732274779	ZFGBFUOVJKYDJM-QMMMGPOBSA-N	268.338	1.194	10	20	CDCD	
CC(C)(C)[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)O	833425369	YEHYOPVQXFRNOP-IYNGYCSASA-N	293.319	1.727	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)CCC(=O)O)c1	836723690	JGEWZFSTXCFXCG-MRVPVSSYSA-N	267.281	1.443	10	20	CDCD	
O=C(O)NCCC(=O)NCc1ccc(N2CCCC2)cc1	739938300	QHUZSFQKCODYFA-UHFFFAOYSA-N	291.351	1.561	10	20	CDCD	
O=C(NCc1nncn1C1CC1)c1cc(O)cs1	733807557	YJAXQNYKVSGTAV-UHFFFAOYSA-N	264.310	1.310	10	20	CDCD	
O=C(NCC1(O)CCCCC1)c1cc(O)cs1	748356146	ONRYNWOLRNCIHK-UHFFFAOYSA-N	255.339	1.879	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)CCC(=O)O	842650545	FTQZHFRKJUJEAD-UHFFFAOYSA-N	264.325	1.542	10	20	CDCD	
Cc1ccc([C@@H](C)NC[C@H](O)Cn2ccnn2)c(O)c1C	840804314	CUXHRDALANEPDQ-OLZOCXBDSA-N	290.367	1.312	10	20	CDCD	
COc1ccc(N(C)CCN(C)C(=O)[C@@H](O)C(C)C)cc1	846442167	KXOVEICCTXCTDD-HNNXBMFYSA-N	294.395	1.607	10	20	CDCD	
CCc1cccc(CN2CC[C@H](S(=O)(=O)NC)C2)c1O	848889050	DSFYZCIUNFBUBB-ZDUSSCGKSA-N	298.408	1.078	10	20	CDCD	
Nc1ccc(-n2cc(C[C@]3(O)CCSC3)nn2)cc1	849134276	BDRUJQDDJWMWFT-CYBMUJFWSA-N	276.365	1.260	10	20	CDCD	
Cc1noc(CN(C)Cc2cc3c(cc2O)OCO3)n1	848503307	ASLPYTLCDOQGME-UHFFFAOYSA-N	277.280	1.444	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)NC[C@@H](C)N(C)C)c1	756536415	VNIUEQFCGVZLLV-GHMZBOCLSA-N	280.368	1.780	10	20	CDCD	
OC[C@H](CNCc1ccc2c(c1)CCCO2)[C@@H]1CCOC1	922086489	MBRGLJSDGFVSTF-CVEARBPZSA-N	291.391	1.746	10	20	CDCD	
Cn1cncc1CNC(=O)/C=C/c1ccc(O)c(O)c1	752951790	JXZSJUZVKDDNRV-HWKANZROSA-N	273.292	1.161	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H]2CCN2C)c1	925410297	ZPLDNIOKEGCFBJ-GHMZBOCLSA-N	293.367	1.465	10	20	CDCD	
O=C(Cc1ncc[nH]1)NCc1cc(Cl)ccc1O	857548845	XDVPILPLUWZEOZ-UHFFFAOYSA-N	265.700	1.628	10	20	CDCD	
Cc1nnc(NC(=O)/C=C\c2ccc(O)c(O)c2)n1C	753131416	YBVDZLDFPLNYEQ-XQRVVYSFSA-N	274.280	1.187	10	20	CDCD	
Cc1ncc(NC(=O)C(=O)NCc2ccccc2O)s1	752397826	GYWDNXZRCGYRKK-UHFFFAOYSA-N	291.332	1.412	10	20	CDCD	
Cn1nccc1COC(=O)/C=C\c1ccc(O)c(O)c1	759595288	PMIPLERIXCBGIF-HYXAFXHYSA-N	274.276	1.588	10	20	CDCD	
CCOC(=O)CCCOC(=O)c1cccc(O)c1O	758571526	GEJIQZMPBMFQRW-UHFFFAOYSA-N	268.265	1.598	10	20	CDCD	
CON(C)CCNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1	854004697	UNGOMPHHOUPIGM-LBPRGKRZSA-N	294.399	1.606	10	20	CDCD	
C/C=C\C(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)OCC	1119566868	GYJIFASRRLLDOV-MZBZXASESA-N	293.319	1.264	10	20	CDCD	
CC(=O)N1CCCN(Cc2cc(C)ccc2O)CC1	133273701	ABFVMWZWONMOCP-UHFFFAOYSA-N	262.353	1.755	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N1CCC2(C1)OCCO2	779482862	HHSBWFWXUVYGLP-RQOWECAXSA-N	291.303	1.086	10	20	CDCD	
C[C@H](NCc1ccc(N2CCC(O)CC2)cc1)C(C)(C)O	876995551	GEIIAYJRQKIQNF-ZDUSSCGKSA-N	292.423	1.897	10	20	CDCD	
C[C@H](O)CCCNCc1ccc(N2CCC(O)CC2)cc1	877484708	LUXICDXBWNBQAX-AWEZNQCLSA-N	292.423	1.898	10	20	CDCD	
O=C(NCCCSc1nccs1)N1CC[C@@H]1CO	893645067	GJFJKAVLLURCGP-SECBINFHSA-N	287.410	1.402	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)CCc2cnc[nH]2)c1	793688415	GIFQTODAIGIJAY-JTQLQIEISA-N	289.335	1.934	10	20	CDCD	
CCCN(Cc1ncnn1C)c1ccc(CN)cc1	88571876	ZVDFTPITXWPZCM-UHFFFAOYSA-N	259.357	1.690	10	20	CDCD	
C[C@@H](NC(=O)CO[C@H]1CCOC1)c1ccc(N(C)C)cc1	1321419489	HJCZTMGDNYJAKP-DOMZBBRYSA-N	292.379	1.735	10	20	CDCD	
COC[C@@H](C)NCc1ccc(N2CCN(C)CC2)c(F)c1	1323318464	IZWKDHRFTIGXCH-CYBMUJFWSA-N	295.402	1.702	10	20	CDCD	
Nc1ccc(CN2CC[C@@H](NC(=O)NC3CC3)C2)cc1	1337837746	DMTXULIWKKKLCV-CQSZACIVSA-N	274.368	1.305	10	20	CDCD	
COc1ccc(CN[C@@H](C(=O)O)C2CCOCC2)cc1C	1332424173	VEXOHYCNEMJNHU-OAHLLOKOSA-N	293.363	1.973	10	20	CDCD	
Cc1ccnn1CC(=O)NCc1ccc(N(C)C)c(F)c1	1331790224	PHJKQTOSMASXTC-UHFFFAOYSA-N	290.342	1.713	10	20	CDCD	
COCCc1nnc(N(C)Cc2ccccc2O)n1C	1262904206	KDRGMKUXNKVNPX-UHFFFAOYSA-N	276.340	1.346	10	20	CDCD	
COc1ccc(N2CC[C@H](CNC(=O)[C@H]3C[C@@H]3F)C2)cc1	1518262820	MXCDHMVYWPVUTR-UGFHNGPFSA-N	292.354	1.996	10	20	CDCD	
CN(C)c1cc(F)c(CN(C)[C@@H]2CCNC2)cc1F	1578422830	IBFKEOXCMVUZIT-LLVKDONJSA-N	269.339	1.825	10	20	CDCD	
CN(Cc1cnn[nH]1)Cc1cc(Cl)cc(F)c1O	1576863718	ZDTWRCYLPMCBCA-UHFFFAOYSA-N	270.695	1.935	10	20	CDCD	
Cc1cncc(N(Cc2ncc[nH]2)C(=O)C2=CC[C@@H](N)C2)c1	1579824892	MMHGMPKDWQXHOZ-CYBMUJFWSA-N	297.362	1.694	10	20	CDCD	
COc1ccc(N2CCN(CCC3OCCO3)CC2)cc1	123613909	MYBGWDGRUAKHPM-UHFFFAOYSA-N	292.379	1.580	10	20	CDCD	
COC[C@](C)(CC(=O)O)NCc1cc(C)ccc1O	1599150065	ZRNVUKZBSSLKQN-AWEZNQCLSA-N	267.325	1.670	10	20	CDCD	
O=C1NCCC[C@@H]1CNCc1cccc(Cl)c1O	839196099	QTMYBWYIRDBQCP-SNVBAGLBSA-N	268.744	1.661	10	20	CDCD	
Cc1cccc(O)c1CN[C@@H](C)CS(C)(=O)=O	877029037	OMEHRKRSBOBQJS-JTQLQIEISA-N	257.355	1.223	10	20	CDCD	
CCC(CC)[C@@H](O)CNC(=O)c1cccc(O)c1O	187087243	JDJFRUSQSWESNH-LBPRGKRZSA-N	267.325	1.625	10	20	CDCD	
COc1ccc(N2CCN(CCCN)CC2)cc1F	82573847	KAKJRZCWYLUHGZ-UHFFFAOYSA-N	267.348	1.305	10	20	CDCD	
COC(=O)N1CCN(Cc2cc(F)cc(F)c2O)CC1	708401384	QZJRBFNQDYUBBO-UHFFFAOYSA-N	286.278	1.554	10	20	CDCD	
COc1cccc(CNCc2csnn2)c1O	398399035	GSAHRCMEYRDFJT-UHFFFAOYSA-N	251.311	1.542	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@H](C)S(C)(=O)=O	115280993	SNXRUFQMBCMXRM-NSHDSACASA-N	298.408	1.110	10	20	CDCD	
Cc1ccc(C(=O)NCc2nncn2C2CC2)c(O)c1O	177682524	LIYFCIKANJZHLN-UHFFFAOYSA-N	288.307	1.263	10	20	CDCD	
COc1ccc(CNCCC[S@@](C)=O)cc1C	134745582	KMRVEMCUUWUPCK-KRWDZBQOSA-N	255.383	1.862	10	20	CDCD	
CCOC(=O)[C@H]1CCCN1C(=O)Cc1ccc(N)cc1	42711765	KWFGNMPMUIQVMR-CYBMUJFWSA-N	276.336	1.365	10	20	CDCD	
Cc1cc(NCCc2ccc(O)c(O)c2)n2ncnc2n1	301602846	WPGPOLOSBHHEFP-UHFFFAOYSA-N	285.307	1.499	10	20	CDCD	
CC[C@H](SC)C(=O)NCc1ccc(O)c(O)c1	182520043	YQFLCWYYRBFMKA-NSHDSACASA-N	255.339	1.856	10	20	CDCD	
CCCN(CC(=O)NC)Cc1ccc(N(C)C)c(F)c1	130597306	MJTZEDBPNNHSDI-UHFFFAOYSA-N	281.375	1.850	10	20	CDCD	
CN(C)c1ccc(CN2CCS(=O)(=O)CC2)cc1F	131168356	WSVCSRLKRFGQHQ-UHFFFAOYSA-N	286.372	1.122	10	20	CDCD	
CN(C)c1ccc(CNC(=O)C2(O)CCOCC2)cc1F	134161513	DKIMNOGEIKBUOW-UHFFFAOYSA-N	296.342	1.049	10	20	CDCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCC1	80048351	HWDXKXOWGRCKAK-UHFFFAOYSA-N	293.342	1.578	10	20	CDCD	
COC[C@H](C)N1CCOc2cc(N(C)C)ccc21	181134255	MRFBFSIJWKZDSB-NSHDSACASA-N	250.342	1.986	10	20	CDCD	
COCCOCCC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	274189492	LKMYNNGMHQZTRR-NSHDSACASA-N	297.351	1.198	10	20	CDCD	
c1cc2c(cc1CNCC1(N3CCOCC3)CC1)CCO2	277543172	XIPHIRUWPKJKOW-UHFFFAOYSA-N	288.391	1.576	10	20	CDCD	
CCc1ccc(S(=O)(=O)CC(=O)C(C)=O)cc1	808051412	VXFOBIGCCFWVOW-UHFFFAOYSA-N	254.307	1.181	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N2CC[C@H](C(=O)O)C2)cc1	818390658	CSKSVFQDAKYLMY-LBPRGKRZSA-N	291.351	1.369	10	20	CDCD	
O=C(NCc1ccccc1O)c1ccc(-n2cnnc2)cc1	725895282	CCVRTRRRBBUJNR-UHFFFAOYSA-N	294.314	1.903	10	20	CDCD	
COC(=O)C(C)(C)N(C)C(=O)c1cc(O)cs1	825900799	RUZYUTRNMNCVHB-UHFFFAOYSA-N	257.311	1.477	10	20	CDCD	
COCCOCCC(=O)N[C@@H](C)c1cc(OC)ccc1O	728983367	YQXXAKKJVJOAPL-NSHDSACASA-N	297.351	1.631	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)c1cnc(N)cn1	828144923	NSIJZNYXQBIBOV-UHFFFAOYSA-N	286.335	1.817	10	20	CDCD	
CCCCC[C@@H](O)C(=O)NCCc1ccc(O)c(O)c1	827294646	KIDBXXULKRHAGN-CYBMUJFWSA-N	281.352	1.698	10	20	CDCD	
C[C@@H]1CN(Cc2cc3c(cc2O)OCO3)C[C@]1(C)CO	827700425	SQDMLJFXLHUSQX-MEBBXXQBSA-N	279.336	1.571	10	20	CDCD	
C[C@H](NC(=O)c1cc(O)cs1)C(=O)OC(C)(C)C	732290355	UTWPLLRARPXFMN-ZETCQYMHSA-N	271.338	1.914	10	20	CDCD	
O=C(NCc1ccccc1O)[C@@H](O)c1cccnc1	731872766	QGSFYIDGSFUVGB-ZDUSSCGKSA-N	258.277	1.137	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1cnco1	677558410	BZQJCRJQSCQWTM-UHFFFAOYSA-N	273.292	1.780	10	20	CDCD	
Cc1ccc(C(=O)OCCCC(=O)O)c(O)c1O	738259101	YYCSAWRMFDSYIJ-UHFFFAOYSA-N	254.238	1.428	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)CCNC(=O)O)c1	738040949	DJZMQKMGRKHZNM-QMMMGPOBSA-N	282.296	1.236	10	20	CDCD	
CC(C)NC(=O)N1CCC[C@H]1C(=O)Nc1ccc(N)cc1	843292949	PKJXBCKPNGSAFU-ZDUSSCGKSA-N	290.367	1.790	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)NC1CCNCC1	841916219	PTEQEJVXAZDNRD-UHFFFAOYSA-N	290.411	1.646	10	20	CDCD	
CNCCCNCc1ccc(N2CCOCC2)c(F)c1	841043673	ZUTYTENSIPIDAK-UHFFFAOYSA-N	281.375	1.361	10	20	CDCD	
CN(CCOCC(F)F)c1ccc(OCC(=O)O)cc1	846279928	QKWXIJSMSRMDLG-UHFFFAOYSA-N	289.278	1.868	10	20	CDCD	
C[C@@H](CCN)NC(=O)NCc1c(O)ccc2c1CCCC2	841968081	SYWMUKDYSQQGLG-NSHDSACASA-N	291.395	1.808	10	20	CDCD	
CC[C@H](C(=O)O)C(=O)NCc1cc(Cl)ccc1O	911330431	LJFJHLFAJQNJFY-VIFPVBQESA-N	271.700	1.773	10	20	CDCD	
CCOC(=O)N1CSC[C@H]1C(=O)Nc1ccc(N)cc1	911660969	QGNRNNQTQFTTBH-NSHDSACASA-N	295.364	1.739	10	20	CDCD	
CC[C@H]1C[C@H](C)CN1C(=O)C(=O)Nc1ccc(N)cc1	841057223	YWBUTRZZCTUTBD-GWCFXTLKSA-N	275.352	1.854	10	20	CDCD	
COc1ccc(CNC(=O)NCCCCC(=O)O)c(O)c1	840992804	QEKCFGOPEUFFDW-UHFFFAOYSA-N	296.323	1.455	10	20	CDCD	
O=C1CCC[C@H](C(=O)NCc2cc(Cl)ccc2O)N1	846476598	NOBYOOGCUWHDFY-SNVBAGLBSA-N	282.727	1.331	10	20	CDCD	
CCC[C@H]1CNCCN1C(=O)NCCc1ccc(N)cc1	841955587	HMCJZQXEOGNFNW-HNNXBMFYSA-N	290.411	1.595	10	20	CDCD	
C[C@@](O)(CNC(=O)Cc1ccc(N)cc1)c1ccco1	846689973	YWAHZSBFZNGVMT-OAHLLOKOSA-N	274.320	1.428	10	20	CDCD	
Cc1cc(CN2C[C@H]3CC[C@H]2CN3)ccc1N(C)C	923382925	NAGUSIXCKKYDFL-CABCVRRESA-N	259.397	1.997	10	20	CDCD	
COC(=O)c1cc(NC(=O)c2cc(O)cs2)cn1C	752818523	AFSIACGHUMDROB-UHFFFAOYSA-N	280.305	1.831	10	20	CDCD	
CC1(C)CNC(=O)[C@H]1NCCCSc1nccs1	925101472	IADOQXBVTNAFGY-SECBINFHSA-N	285.438	1.740	10	20	CDCD	
Nc1ccc(NC(=O)C(=O)C2CCSCC2)cc1	857762814	DYKBZCVQFAZALG-UHFFFAOYSA-N	264.350	1.920	10	20	CDCD	
O=C(N[C@H](CO)CN1CCCCC1)c1cc(O)cs1	854412779	MCQGUNXOKLGCQN-JTQLQIEISA-N	284.381	1.030	10	20	CDCD	
C[C@H]1CN(C)C(=O)CN1Cc1cc(F)c(N(C)C)cc1F	862336722	KWOBWKOLBHKAFE-JTQLQIEISA-N	297.349	1.693	10	20	CDCD	
COc1cc(CN(CCO)CCO)c(O)c(C(C)(C)C)c1	862429110	ASUDFQGVKMMUKS-UHFFFAOYSA-N	297.395	1.485	10	20	CDCD	
CC[C@H](N[C@@H]1COC[C@@H]1O)c1ccc(N(C)C)cc1	866418859	WEYFTFIWBFTENH-ZNMIVQPWSA-N	264.369	1.553	10	20	CDCD	
CCOc1ccc(CN2CCC(C(=O)NC)CC2)c(O)c1	768216957	KDUNEEUFJKTBID-UHFFFAOYSA-N	292.379	1.749	10	20	CDCD	
CCNC(=O)C(C)(C)CNCc1c(C)cccc1O	877115640	SDFTVKWODVHPIT-UHFFFAOYSA-N	264.369	1.953	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)CNC(C)(C)C)c1	1116407134	ISYXOMHDJKEXCX-JTQLQIEISA-N	280.368	1.966	10	20	CDCD	
C[C@@H](NC(=O)NC1COC(C)(C)OC1)c1ccccc1O	875489073	HDOKEDPKPXMTNA-SNVBAGLBSA-N	294.351	1.904	10	20	CDCD	
COc1cc(O)c(CN2CCN[C@H](C)C2)cc1OC	775638854	JDTLFYBCYPUNFU-SNVBAGLBSA-N	266.341	1.203	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2C[C@@H]3C[C@@]3(CO)C2)c1O	775098517	WXENXMANBMSCRI-HZMBPMFUSA-N	294.307	1.123	10	20	CDCD	
C[C@H](Cn1ccnc1)NC(=O)/C=C/c1ccc(O)c(O)c1	779499488	IBYIECNAWUNCPQ-JOAKQRRISA-N	287.319	1.512	10	20	CDCD	
O=C(O)C[C@H](CNCc1ccc2c(c1)CCCO2)C(=O)O	1120002349	SSAUGYZAAYEDTO-GFCCVEGCSA-N	293.319	1.277	10	20	CDCD	
COC(=O)[C@@H](CC(F)F)NCc1cc(OC)ccc1O	789583164	VXGUYYRFTLUFKQ-SNVBAGLBSA-N	289.278	1.687	10	20	CDCD	
COc1cc(N2CC(F)C2)c([N+](=O)[O-])cc1OC	784187513	NXDMPXXHLVLTMO-UHFFFAOYSA-N	256.233	1.770	10	20	CDCD	
COCCCNC(=O)N[C@H](C)c1ccccc1O	864425299	ZJXIHQXQBXSNMA-SNVBAGLBSA-N	252.314	1.789	10	20	CDCD	
CCN(C)C(=O)CN[C@@H](C)c1ccc(F)cc1O	186821401	UXBZCNTXHSPMED-VIFPVBQESA-N	254.305	1.660	10	20	CDCD	
COc1ccc(CNC(=O)NCc2nccs2)c(O)c1	792843148	LJPJAOXHTCCOMV-UHFFFAOYSA-N	293.348	1.857	10	20	CDCD	
CC(C)c1n[nH]c(COC(=O)c2cccc(O)c2O)n1	795537288	XFBGYSLCJQAODZ-UHFFFAOYSA-N	277.280	1.696	10	20	CDCD	
COc1ccc(CNC(=O)N[C@H](C)[C@H]2CCOC2)c(O)c1	792962397	YZTDEDHRXQRTPL-PWSUYJOCSA-N	294.351	1.625	10	20	CDCD	
COC[C@@H](CO)NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1	793063303	YMCUTYHPQMCXNM-WCQYABFASA-N	295.383	1.120	10	20	CDCD	
O=C(NCc1cc(Cl)ccc1O)[C@]1(F)CCOC1	1346306650	NQJOCIKRBLJHSM-LBPRGKRZSA-N	273.691	1.790	10	20	CDCD	
Nc1ccc(CC(=O)N2CCCc3n[nH]cc32)cc1	1345952358	ZUEYGZUSICIOME-UHFFFAOYSA-N	256.309	1.514	10	20	CDCD	
CC[C@H](F)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	1346977406	YLELPBFZDOCBJT-SCZZXKLOSA-N	255.289	1.893	10	20	CDCD	
O=C(NCc1cccc(O)c1O)c1csc(C(=O)O)n1	1601542295	FMIVSNIHWCCUNX-UHFFFAOYSA-N	294.288	1.183	10	20	CDCD	
O=C(O)[C@H](C[C@@H]1CCCO1)NCc1cccc(F)c1O	1601640180	AGKGUQWQMXBHDV-JQWIXIFHSA-N	283.299	1.643	10	20	CDCD	
O=C(O)[C@@]1(CNCc2ccc(Cl)cc2O)CCOC1	1601708271	DEFGBWOYAWXRSK-CYBMUJFWSA-N	285.727	1.627	10	20	CDCD	
COC[C@H](CCO)N[C@@H](C)c1cc(OC)ccc1O	230663290	SZIVGHUJBGDCRM-QWRGUYRKSA-N	269.341	1.449	10	20	CDCD	
C[C@@H](C(=O)O)N(C(=O)Cc1ccc(O)c(O)c1)C1CCC1	1589477462	RUPUDQCDFDPKKI-VIFPVBQESA-N	293.319	1.495	10	20	CDCD	
CO[C@@H](CNCc1ccc2c(c1)CCCO2)CC(=O)O	1777148736	JKSJBLPLLVBSLX-CYBMUJFWSA-N	279.336	1.591	10	20	CDCD	
CCN(CC)C[C@H](C)NC(=O)c1cccc(O)c1O	126368062	AJDWQDXNUWGJQY-JTQLQIEISA-N	266.341	1.558	10	20	CDCD	
NC(=O)c1cc(NCCc2ccc(O)c(O)c2)ccn1	811810908	IKBBPNUTNJBQJF-UHFFFAOYSA-N	273.292	1.246	10	20	CDCD	
C[C@H](NCC[C@@H]1CCNC1=O)c1ccc(N(C)C)cc1	846860908	NIWJVNSJLJLBSA-GXTWGEPZSA-N	275.396	1.929	10	20	CDCD	
CN(Cc1ccccc1O)c1c([N+](=O)[O-])cnn1C	893018195	GFGWEBYDVWEZAP-UHFFFAOYSA-N	262.269	1.670	10	20	CDCD	
CCN(CC)c1ccc(CNCC(=O)NC2CC2)cc1	35247185	BUPMERGKYQOSHY-UHFFFAOYSA-N	275.396	1.901	10	20	CDCD	
CS(=O)(=O)C1(CNCc2ccccc2O)CC1	279748970	YJXVARSGRDLMIN-UHFFFAOYSA-N	255.339	1.059	10	20	CDCD	
CC[C@H](NCCN1CCC(O)CC1)c1ccccc1O	294827696	LDNXGTYVULXMJG-HNNXBMFYSA-N	278.396	1.890	10	20	CDCD	
CC(C)N(C)C[C@@H](C)NCc1cc2c(cc1O)OCO2	289972059	YYTUAZQITGHMGV-LLVKDONJSA-N	280.368	1.939	10	20	CDCD	
O=C(NC1CC1)[C@H]1CCCN1Cc1cc(F)ccc1O	179937747	FLSYOMYGVWVCDY-CYBMUJFWSA-N	278.327	1.774	10	20	CDCD	
COc1cccc(CNC(=O)c2ccc(C)n2C)c1O	105652557	SBMWQVVYNMDYCI-UHFFFAOYSA-N	274.320	1.978	10	20	CDCD	
O=C(NCCCSc1nccs1)c1cnns1	114374634	LHYPROLBDBUUMQ-UHFFFAOYSA-N	286.407	1.907	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)[C@H]2CSCN2)cc1	178712756	GWCYENXJTZDXCA-CQSZACIVSA-N	293.436	1.812	10	20	CDCD	
CN(C(=O)c1cccc(O)c1O)[C@H]1CCSC1	126248423	MUSYAPBGESDPRD-QMMMGPOBSA-N	253.323	1.675	10	20	CDCD	
COc1ccc(N2CCN(C(=O)c3c[nH]cn3)CC2)cc1	74674046	PHDJAVXWLXYTLX-UHFFFAOYSA-N	286.335	1.381	10	20	CDCD	
CS[C@H](C)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	186393227	JOLGAXJFAWJZFT-DTWKUNHWSA-N	269.366	1.897	10	20	CDCD	
C[C@H](N[C@@H]1CCc2ncnn2C1)c1ccc(F)c(F)c1O	187776876	ROQQTUYGAALLRK-DTWKUNHWSA-N	294.305	1.928	10	20	CDCD	
Cc1nnc(O)c(C(=O)N(C)Cc2ccccc2O)c1C	77258431	CBUHRVLMHGPVPC-UHFFFAOYSA-N	287.319	1.777	10	20	CDCD	
CCOC(=O)N1CC[C@@H](NCc2ccccc2O)C1	185781177	UFRWNLINKPPRSO-GFCCVEGCSA-N	264.325	1.713	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CC[C@@](C)(O)C2)c1O	227099551	WJQSPKXAZRTNBZ-CQSZACIVSA-N	267.300	1.691	10	20	CDCD	
OC[C@@H]1CCCN1Cc1cc2c(cc1O)OCO2	92455980	GOKFCNBVTYUXQG-JTQLQIEISA-N	251.282	1.078	10	20	CDCD	
CN1CCCc2cc(CN3C(=O)N[C@@H](C4CC4)C3=O)ccc21	277638745	DKDDSNFOUMVYMF-HNNXBMFYSA-N	299.374	1.899	10	20	CDCD	
CCOc1cccc([C@@H]2NC(=O)[C@@H]3CSCCN32)c1O	270768472	HCUCNDCXFZUKGP-GXFFZTMASA-N	294.376	1.337	10	20	CDCD	
Cc1ccc([C@@H](C)NC[C@H](O)c2cnn(C)c2)c(O)c1	273467198	FAVLWSRJDZVKBW-ABAIWWIYSA-N	275.352	1.818	10	20	CDCD	
CNC(=O)[C@]1(C)CCN(Cc2ccc(N(C)C)cc2)C1	281125795	OAIQSDKAUCKZPA-MRXNPFEDSA-N	275.396	1.711	10	20	CDCD	
CCCOc1ccc(CN[C@@H](C)C(=O)NCCF)c(O)c1	282568711	FGOOGCAWRCYXRJ-NSHDSACASA-N	298.358	1.745	10	20	CDCD	
CCO[C@@H](C)C(=O)NCc1ccc(N(C)C)c(F)c1	299309946	DUAHUWYOQHEUJN-JTQLQIEISA-N	268.332	1.933	10	20	CDCD	
CCn1ncnc1COC(=O)c1ccc(C)c(O)c1O	801250369	CGFKEQWTPPWUFS-UHFFFAOYSA-N	277.280	1.375	10	20	CDCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H](C)O	294347550	GJAGXOIVZAINJF-LBPRGKRZSA-N	264.369	1.870	10	20	CDCD	
C[C@H](CN[C@@H]1CCc2cccc(O)c21)CN1CCOCC1	297540423	FBCUDQCWBSYTNT-UKRRQHHQSA-N	290.407	1.937	10	20	CDCD	
CCON1C(=O)CN(Cc2ccccc2O)C1=O	819170955	QPNGHMCMMPNFKI-UHFFFAOYSA-N	250.254	1.108	10	20	CDCD	
Cc1cc(C)c([C@H](C)NCC(=O)N2CCNCC2)c(O)c1	817946274	VDHFLFAXVYBXBW-ZDUSSCGKSA-N	291.395	1.091	10	20	CDCD	
CCOc1ccc(O)c(CN2C[C@H](CO)OC(C)(C)C2)c1	817412486	LRNJUNWAERFJCV-CQSZACIVSA-N	295.379	1.763	10	20	CDCD	
Cc1cc(O)c(CN2CCC[C@@H]2C(N)=O)cc1Cl	826064459	KLEAVXCLBCBYOA-LLVKDONJSA-N	268.744	1.804	10	20	CDCD	
COc1cccc(O)c1CN[C@H]1C[C@@H](C(=O)OC)C1	827500703	IBRNUAVJZZWFDD-AOOOYVTPSA-N	265.309	1.442	10	20	CDCD	
CC(C)[C@@H](NC(=O)O)C(=O)NCc1ccccc1O	736370358	OUNJLKGGBGAMHO-LLVKDONJSA-N	266.297	1.301	10	20	CDCD	
Nc1ccc(CCNC(=O)CCCn2cccn2)cc1	832659202	SRMPSBIDIPCLRQ-UHFFFAOYSA-N	272.352	1.604	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)[C@H](OC)C(=O)O)cc1	901935303	YVCBCPGHTOUTCC-ZDUSSCGKSA-N	294.351	1.249	10	20	CDCD	
CO[C@@]1(C(=O)NCc2ccc(O)cc2O)CCSC1	910955980	INFLLRWPBKYULO-ZDUSSCGKSA-N	283.349	1.236	10	20	CDCD	
CO[C@H](C)CN1C(=O)CN(Cc2ccccc2O)C1=O	849359675	ASEBYMMVBAVMSQ-SNVBAGLBSA-N	278.308	1.191	10	20	CDCD	
Nc1ccc(NC(=O)C(=O)N2CCCCCCC2)cc1	841010897	VMFRQPYFIMEVME-UHFFFAOYSA-N	275.352	2.000	10	20	CDCD	
Nc1ccc(CCNC(=O)N2CC[C@H](n3cccn3)C2)cc1	841958370	ZQKPNCXOFDXHFR-HNNXBMFYSA-N	299.378	1.664	10	20	CDCD	
O=C(CC1COC1)NCc1cc(Cl)ccc1O	911899269	USUKUTCPXOXSOK-UHFFFAOYSA-N	255.701	1.698	10	20	CDCD	
O=C(C[C@H]1CCOC1)NCc1ccc(O)cc1O	910948110	UJWBDYMOAASUQX-SECBINFHSA-N	251.282	1.141	10	20	CDCD	
NC(=O)Nc1ccc(C(=O)NCc2ccccc2O)cc1	748350527	WEIAJOILMBZZAO-UHFFFAOYSA-N	285.303	1.813	10	20	CDCD	
COc1cccc(CNc2nccn(C)c2=O)c1O	742399978	FKCIYVYBKXYIHO-UHFFFAOYSA-N	261.281	1.107	10	20	CDCD	
Cc1cc(O)c(CNC[C@@H]2C[C@H](F)CN2)cc1C	841079073	KGGRVOWZBABXKC-STQMWFEESA-N	252.333	1.799	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2C[C@@H](N)[C@H](C)C2)c1O	842475218	LQQBDMXFWIOHJA-AMIZOPFISA-N	266.316	1.513	10	20	CDCD	
C[C@@H](C[C@@H]1CCOC1)NC(=O)NCCc1ccc(N)cc1	841857941	RRIIRQDLVXURBR-JSGCOSHPSA-N	291.395	1.926	10	20	CDCD	
CCN1CCN(C(=O)NCCc2ccc(N)cc2)CC1	841961283	DOLIUCFSLFDVJD-UHFFFAOYSA-N	276.384	1.158	10	20	CDCD	
O=C(O)[C@@]1(C(=O)NCc2ccccc2O)C[C@H]2CC[C@H]1C2	852943616	WTGWMACCFMRROC-PKWAYOAASA-N	289.331	1.899	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H]1CCO[C@@H]1C	935948506	NQZDRAHSLQABLA-MNOVXSKESA-N	284.352	1.919	10	20	CDCD	
CCN(CCC(=O)NC)Cc1cc(F)cc(C(C)=O)c1O	933868412	XCPBESQSOXYOTL-UHFFFAOYSA-N	296.342	1.692	10	20	CDCD	
CC(C)N1CC(NC(=O)c2ccc(N=NC(N)=O)cc2)C1	1031459392	RSLUCIVXPKFNTF-UHFFFAOYSA-N	289.339	1.671	10	20	CDCD	
COc1cccc(CNC(=O)Cn2nccc2C)c1O	860240658	JSMUBRSGOGFWFE-UHFFFAOYSA-N	275.308	1.222	10	20	CDCD	
CCOc1ccc(CN[C@H]2CCC[C@@H]2C(=O)NC)c(O)c1	765795032	GVSRTPXKVMCVAZ-KBPBESRZSA-N	292.379	1.795	10	20	CDCD	
C[C@H]1CN(CCCNC(=O)c2cc(O)cs2)CCCO1	762922479	UAAYWRBCWSPBSJ-NSHDSACASA-N	298.408	1.684	10	20	CDCD	
CN(C(=O)COCc1ccnn1C)c1ccc(N)cc1	877076967	YVFSLGZQSIRSAW-UHFFFAOYSA-N	274.324	1.182	10	20	CDCD	
CCOC(=O)NCC(=O)N[C@@H](C)c1ccc(N(C)C)cc1	773002359	ZQNXHJHTNBYCLM-NSHDSACASA-N	293.367	1.676	10	20	CDCD	
COC(=O)[C@@H]1COCCN1Cc1c(C)cccc1O	876726605	LAZBHYVPTGQDBJ-LBPRGKRZSA-N	265.309	1.074	10	20	CDCD	
C[C@@H](NCc1cc(F)cc(F)c1O)c1nnnn1C1CC1	883102691	XZAZSDZNQYVUMK-SSDOTTSWSA-N	295.293	1.843	10	20	CDCD	
O=C(N1CCCC1)N1CCN(Cc2ccccc2O)CC1	778993861	CCUBXTHTLFEMEO-UHFFFAOYSA-N	289.379	1.726	10	20	CDCD	
CCO[C@@H]1COC[C@H]1NCc1cc(F)cc(F)c1O	883139678	VUVXHYFSHDHGPI-VXGBXAGGSA-N	273.279	1.564	10	20	CDCD	
C[C@@H]1OCC[C@@]1(C)NCc1cc([N+](=O)[O-])ccc1O	784639420	ICLRCSJYJCHJKS-TVQRCGJNSA-N	266.297	1.958	10	20	CDCD	
CO[C@H]1CN(Cc2cc(F)cc(F)c2O)CCO1	895962147	HLYUTOBUAJRYCQ-LLVKDONJSA-N	259.252	1.475	10	20	CDCD	
COc1cc(C)cc(CN[C@@H](C)c2ncnn2C)c1O	894540704	LTEFFKLJXUHRQW-JTQLQIEISA-N	276.340	1.689	10	20	CDCD	
COc1ccc(CNCC2(O)CCOCC2)c(O)c1OC	892913643	GACKNYULKXAJAH-UHFFFAOYSA-N	297.351	1.041	10	20	CDCD	
COc1cc(C)cc(CNC[C@H]2CC[C@@H](O)C2)c1O	894541530	RRCHUNLQPGKVHJ-WCQYABFASA-N	265.353	1.960	10	20	CDCD	
C[C@@H]1CN(Cc2cccc(Br)c2O)C[C@@H]1O	897684351	NERHQUKFCTYCMM-KCJUWKMLSA-N	286.169	1.967	10	20	CDCD	
COc1cccc(CN2CC[C@@H](C3OCCO3)C2)c1O	896384425	KJOUHTDBJIMIKR-GFCCVEGCSA-N	279.336	1.596	10	20	CDCD	
C[C@@H](NC(=O)CCCC(N)=O)c1ccc(N(C)C)cc1	787533034	KTTAFDMFNKTXGL-LLVKDONJSA-N	277.368	1.585	10	20	CDCD	
CCOc1ccc(O)c(CNC[C@H](COC)OC)c1	781416895	SOUMPJGQOAOBRH-CYBMUJFWSA-N	269.341	1.542	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1C[C@H](N)C1	892580983	ANRZCMNHJUUUTF-HDJSIYSDSA-N	290.411	1.631	10	20	CDCD	
Cn1cc(/C=C/C(=O)N2CCOCc3ccccc32)cn1	791875004	KZUNYECYLFFDKT-VOTSOKGWSA-N	283.331	1.997	10	20	CDCD	
C[C@@H](NC(=O)NCC(C)(C)N)c1ccccc1O	892035020	ZPFFZPFIKBXCRG-SECBINFHSA-N	251.330	1.490	10	20	CDCD	
CC(C)OC(=O)[C@@H](NC(=O)c1cccc(O)c1O)C(C)C	1328084137	DOZXYUZKNIUTIP-LBPRGKRZSA-N	295.335	1.804	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@]1(F)CCOC1	1324098425	AQQHBJIALDNAGV-LKFCYVNXSA-N	283.299	1.274	10	20	CDCD	
COc1ccc(N(C)CCN(C)C(=O)[C@@H]2C[C@@H]2F)cc1	1338213039	FJYIUTNMBSTUOY-KGLIPLIRSA-N	280.343	1.948	10	20	CDCD	
O=C(O)c1ccccc1S(=O)(=O)Nc1ccc(O)cc1	1198730901	ZGPFGPCQFZOJIN-UHFFFAOYSA-N	293.300	1.891	10	20	CDCD	
CC[C@@H](C)CCNC(=O)C(=O)NCCc1ccc(N)cc1	1261633606	KQFRMSVWYLBTFG-GFCCVEGCSA-N	291.395	1.480	10	20	CDCD	
CN(C[C@H]1CCCOC1)C(=O)Cc1ccc(N)cc1	107064211	YXUZNAQZEDPXTJ-CYBMUJFWSA-N	262.353	1.696	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCCC(=O)O	1604232958	PLAJNLWOZNPGJY-SECBINFHSA-N	281.308	1.400	10	20	CDCD	
C[C@](NC(=O)c1cc(O)cs1)(C(=O)O)C1CC1	1604308318	QIWAAZXEODLMRA-LLVKDONJSA-N	255.295	1.437	10	20	CDCD	
CN(C)c1cc(F)c(CNC[C@@H]2CCN2)cc1F	1578422880	KQDPNEPBUUOXMT-JTQLQIEISA-N	255.312	1.482	10	20	CDCD	
Nc1ccc(NC(=O)NO[C@H](CO)C2CCCC2)cc1	1580449287	GMFIASWTCQDIMM-CYBMUJFWSA-N	279.340	1.873	10	20	CDCD	
CN(C)c1ccc(CN2CCC[C@H](O)[C@H]2C(=O)O)cc1F	1598317153	ABAPUUFBJSUVPX-KBPBESRZSA-N	296.342	1.302	10	20	CDCD	
CN(C)c1ccc(CN2CC(C)(C(=O)O)C2)cc1F	1598317812	LYRHJOKKJIODFW-UHFFFAOYSA-N	266.316	1.798	10	20	CDCD	
CN(C)c1ccc(CNC[C@H]2C[C@H](CC(=O)O)CO2)cc1	1777040304	YTSPHSBDUCSWBC-UKRRQHHQSA-N	292.379	1.722	10	20	CDCD	
CN(C(=O)c1cn(C2CC2)nn1)c1ccc(N)cc1	877074468	LJJFLLSGUFUIEZ-UHFFFAOYSA-N	257.297	1.472	10	20	CDCD	
CN(C)[C@H]1CCC[C@H](NC(=O)Cc2ccc(N)cc2)C1	237048215	HFKGUCRECHNYPZ-GJZGRUSLSA-N	275.396	1.800	10	20	CDCD	
C[C@@H]1[C@H](NCc2cc(F)ccc2O)CCS1(=O)=O	311082446	ORTSMZORSGEZIE-LDYMZIIASA-N	273.329	1.197	10	20	CDCD	
CS(=O)(=O)C1CCN(Cc2ccccc2O)CC1	311192157	DDFRUBISAQXZQX-UHFFFAOYSA-N	269.366	1.401	10	20	CDCD	
CC(C)C[C@@H](O)CNC(=O)Cc1ccc(N)cc1	226368408	IZNZFUOZZBRRHH-CYBMUJFWSA-N	250.342	1.335	10	20	CDCD	
Cc1cccc(CN2CCC[C@H]2C(=O)NC2CC2)c1O	179726354	AZQKDKSWORIKMA-AWEZNQCLSA-N	274.364	1.944	10	20	CDCD	
CCOCCC(=O)NCc1cc(OC)ccc1O	114540918	FXUDDLVRLSSIPS-UHFFFAOYSA-N	253.298	1.444	10	20	CDCD	
Cc1ccc(C(=O)Nc2ccc3[nH]nnc3c2)c(O)c1O	182565738	ISUHPIUBQUKFGR-UHFFFAOYSA-N	284.275	1.930	10	20	CDCD	
C[C@H]1CN(Cc2ccccc2O)CCS(=O)(=O)C1	192067876	YJXMQRMFDFNYDQ-NSHDSACASA-N	269.366	1.259	10	20	CDCD	
C[C@@]1(CNC(=O)Cc2ccc(N)cc2)CCCNC1	295132233	ORMLSWUTKQKVSW-OAHLLOKOSA-N	261.369	1.317	10	20	CDCD	
Nc1ccc(CC(=O)NCc2cn3c(n2)CCCC3)cc1	269252735	QHASKDXGAWIDKU-UHFFFAOYSA-N	284.363	1.661	10	20	CDCD	
Cc1ccc(C(=O)N[C@H](C)c2ncnn2C)c(O)c1O	276934529	VUMPHXHUBLVJQL-MRVPVSSYSA-N	276.296	1.026	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2CC[C@@](C)(O)C2)c1O	278286783	ULRWVGWNICREGD-CYBMUJFWSA-N	282.296	1.266	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN(CCO)C2CC2)c1O	278161746	DOOBRTFEWRJYQV-UHFFFAOYSA-N	282.296	1.266	10	20	CDCD	
CCCOc1ccc(CN[C@@]2(C)CCOC2=O)c(O)c1	289704090	DZANKPZQUNTMNI-HNNXBMFYSA-N	279.336	1.976	10	20	CDCD	
CCCCN(Cc1ccccc1O)C(=O)C(=O)NC1CC1	283039102	RCDIQUUTCNYVTI-UHFFFAOYSA-N	290.363	1.800	10	20	CDCD	
Cc1ccc(C(=O)N[C@@](C)(C(N)=O)C(C)C)c(O)c1O	286327166	BEACPBJWIVSIMS-CQSZACIVSA-N	280.324	1.036	10	20	CDCD	
CCCOc1ccc(CN(C)[C@H](C)CO)c(O)c1	289183023	APUJAQLIZAQFTC-LLVKDONJSA-N	253.342	1.994	10	20	CDCD	
Cc1ccc(C(=O)NCc2nnc(C(C)C)[nH]2)c(O)c1O	295964937	ITAQJAHPBIHFRD-UHFFFAOYSA-N	290.323	1.578	10	20	CDCD	
CCOc1ccc(C(=O)OCC(=O)C(C)=O)cc1OCC	808489665	WZZWZSUXAMXWIH-UHFFFAOYSA-N	294.303	1.799	10	20	CDCD	
COc1ccc2c(c1)CCCCN2CCN1CCNC1=O	290111992	YJYDIIOFYYVNQF-UHFFFAOYSA-N	289.379	1.863	10	20	CDCD	
CC(=O)C(=O)COC(=O)CSCc1c(C)noc1C	808485604	VWDVMPZOGXRQDR-UHFFFAOYSA-N	285.321	1.226	10	20	CDCD	
CN1CC[C@@](O)(CNCc2ccc3ccccc3c2O)C1	816570288	PFZJDKSCRQCEKS-QGZVFWFLSA-N	286.375	1.702	10	20	CDCD	
C[C@@H](NCCCN1CCNCC1)c1ccc(F)cc1O	817936582	PNDFZVCPLAIEOX-GFCCVEGCSA-N	281.375	1.477	10	20	CDCD	
CN(C[C@H]1CCCN1C)C(=O)c1c(F)ccc(O)c1O	817770486	UMQLSARKXWLLBK-SECBINFHSA-N	282.315	1.403	10	20	CDCD	
Cc1cc(O)c(CN2CCO[C@H](C(N)=O)C2)cc1Cl	824649156	AMVAEKHEXSNZKU-LBPRGKRZSA-N	284.743	1.040	10	20	CDCD	
C[C@@H](CC(=O)O)C(=O)NCc1ccc2c(c1)CCCN2C	827295614	MFFUOBITSUESJB-NSHDSACASA-N	290.363	1.796	10	20	CDCD	
CCOc1ccc(CN[C@H](C)CN2CCOCC2)c(O)c1	725846026	QLQSGRDOYKYHCR-CYBMUJFWSA-N	294.395	1.601	10	20	CDCD	
CCOC(=O)CC(=O)N[C@H](C)c1ccccc1O	827930366	IHIDEPMBMXUBOK-SECBINFHSA-N	251.282	1.523	10	20	CDCD	
CN1c2ccccc2C(=O)N[C@H]1c1cc(C(=O)O)ccc1O	737529936	OFYYKYRYNVTEIA-CQSZACIVSA-N	298.298	1.969	10	20	CDCD	
COCCCN1CCC(NC(=O)c2cc(O)cs2)CC1	732283186	RJQPCQPYKRWXRF-UHFFFAOYSA-N	298.408	1.684	10	20	CDCD	
CC[C@H](N)C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1	831748967	UBMGSBVINUZHNE-WFASDCNBSA-N	291.395	1.375	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1C[C@H](C)O[C@H](CO)C1	840941430	AKGNHMUXBPBKLQ-BBRMVZONSA-N	278.396	1.643	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN(C)CCCN)c1O	843050129	DJVQSJIVPBAAHW-UHFFFAOYSA-N	269.301	1.090	10	20	CDCD	
Nc1ccc(CCNC(=O)[C@@H]2C[C@@]23CCCNC3)cc1	848394296	JMAPSALUQLBWSE-GOEBONIOSA-N	273.380	1.317	10	20	CDCD	
CCCN(CCN1CCNCC1)Cc1ccccc1O	843358528	VJARVNAHRTVNGR-UHFFFAOYSA-N	277.412	1.509	10	20	CDCD	
COc1cc(O)c(CN2CCC[C@H](N)C2)cc1OC	843044283	ZXUXBKBDFZICBB-NSHDSACASA-N	266.341	1.333	10	20	CDCD	
c1csc(SCCCNc2nccn3nnnc23)n1	749148208	WGDZCDGYQNCUOO-UHFFFAOYSA-N	293.381	1.570	10	20	CDCD	
C[C@H](O)C[C@@H](C)CNC(=O)NCCc1ccc(N)cc1	841954176	JMKNTZIMXSJGMY-NEPJUHHUSA-N	279.384	1.518	10	20	CDCD	
COc1cc(O)c(CN[C@H](CO)CCF)cc1OC	846098375	AWABCSREIYMILS-JTQLQIEISA-N	273.304	1.220	10	20	CDCD	
CCOCCS(=O)(=O)NCc1cc(Cl)ccc1O	845997907	JFCSOTRKZHZSFI-UHFFFAOYSA-N	293.772	1.502	10	20	CDCD	
CS/C=C\C(=O)NC[C@H](N)c1ccc(N(C)C)cc1	843297355	HLYPPTNVPCPTOK-YXVBKTCISA-N	279.409	1.745	10	20	CDCD	
C[C@H]1CN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CCN1	841880714	GRNUHUKBJJRGBT-QWHCGFSZSA-N	290.411	1.817	10	20	CDCD	
CNC[C@@H]1CCCN1Cc1cc2c(cc1O)OCO2	843056146	UXKBXHXVYYTJIC-NSHDSACASA-N	264.325	1.305	10	20	CDCD	
C[C@@H]1C[C@H](CNC[C@H](N)c2ccc(N(C)C)cc2)CCN1	841044500	ZBWXJURWOONIOP-CPUCHLNUSA-N	290.455	1.730	10	20	CDCD	
C[C@@H]1CNCCN1Cc1cc(Cl)cc([N+](=O)[O-])c1O	843048267	VYWUBWGYDVDLPK-MRVPVSSYSA-N	285.731	1.748	10	20	CDCD	
CC[C@@H](N)CNCc1cc(Cl)cc([N+](=O)[O-])c1O	841070135	MAFRMFXTCRUMBT-SECBINFHSA-N	273.720	1.781	10	20	CDCD	
Cn1c(Cl)cnc1/C=C1\SC(=S)NC1=O	752873407	FASIHJUURUNTBJ-RQOWECAXSA-N	259.743	1.562	10	20	CDCD	
COc1cc(C(=O)NCc2cc(Cl)ccc2O)nn1C	857548890	ZDUYUQAFZVULBL-UHFFFAOYSA-N	295.726	1.718	10	20	CDCD	
CN(CC(=O)NCCc1ccc(O)c(O)c1)C1CCC1	863897210	ARYYCHQXCZQLAE-UHFFFAOYSA-N	278.352	1.241	10	20	CDCD	
CN1CCc2cc([C@H]3NC(=O)[C@H]4CSCCN43)ccc21	765522042	ZSBVKPQYDWGCHQ-KGLIPLIRSA-N	289.404	1.225	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@H]2C[C@@]23CCOC3)cc1	763381590	FBRIMQQBMFESHV-GOEBONIOSA-N	274.364	1.795	10	20	CDCD	
CCO[C@H]1COCC[C@H]1NCc1cc(OC)ccc1O	761223916	VCNKQELSMTUBLD-HIFRSBDPSA-N	281.352	1.684	10	20	CDCD	
COc1ccccc1[C@@H](CO)NC(=O)c1cc(O)cs1	778513254	ZCFNPPQDNGUHPB-LLVKDONJSA-N	293.344	1.926	10	20	CDCD	
Cc1cccc(O)c1CN1CCN(CCCCO)CC1	876724641	DPZRFFJRHXEUHQ-UHFFFAOYSA-N	278.396	1.591	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@H]2CSCN2)cc1F	166462672	WPUTURFJWSHKHF-NSHDSACASA-N	283.372	1.170	10	20	CDCD	
C[C@@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)N(C)C	772775678	NWMVZCSKWJAPSX-VPIOIWJLSA-N	279.292	1.131	10	20	CDCD	
C[C@H](CCO)NCc1ccc(N2CCC(O)CC2)c(F)c1	779389505	BJSFFICVIYAJFN-GFCCVEGCSA-N	296.386	1.647	10	20	CDCD	
CCN(CC)S(=O)(=O)N[C@@H](C)c1ccc(N(C)C)cc1	773087726	JPIZEESOTRPEMN-LBPRGKRZSA-N	299.440	1.990	10	20	CDCD	
Cc1ccc(C(=O)N(CCCO)C2CC2)c(O)c1O	780998069	XWJHGGLYBFNOBI-UHFFFAOYSA-N	265.309	1.393	10	20	CDCD	
CC[C@@H](C(=O)N(C)Cc1ccccc1O)[C@H](C)O	789988098	ACJJRYNPWMJAHJ-CMPLNLGQSA-N	251.326	1.758	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCC(C)(C)O	787510838	KBFYBLQFGRNGGJ-SNVBAGLBSA-N	281.352	1.696	10	20	CDCD	
CN(Cc1ccccc1O)c1c([N+](=O)[O-])ncn1C	270441136	FYPIFLJSTOLPTC-UHFFFAOYSA-N	262.269	1.670	10	20	CDCD	
COc1ccc(CNC2(C(N)=O)CCOCC2)cc1C	788435455	ILKMDBMJLMAJJF-UHFFFAOYSA-N	278.352	1.128	10	20	CDCD	
COc1ccc(CN[C@H]2C[C@H](OC)C2)c(O)c1OC	895666100	KFQZNGMSLOLPKH-XYPYZODXSA-N	267.325	1.676	10	20	CDCD	
CC[C@H](C[C@H](C)CO)NC(=O)c1cccc(O)c1O	790911656	TUNKHNYHXJUCET-VHSXEESVSA-N	267.325	1.625	10	20	CDCD	
COc1ccc(CNC(=O)c2n[nH]c(C)c2O)c(O)c1	794377937	NMTSVIATNHTEJD-UHFFFAOYSA-N	277.280	1.068	10	20	CDCD	
C[C@@H](CNCc1ccc(N2CCOCC2)cc1)C(=O)O	1329152570	IRMVYOKQSKEQIO-LBPRGKRZSA-N	278.352	1.334	10	20	CDCD	
CN(Cc1ccc(N2CCCC2)cc1)C[C@H](O)CN	1328682395	SKRXTHIOCJUSEQ-OAHLLOKOSA-N	263.385	1.038	10	20	CDCD	
COC(=O)[C@@H]1C[C@@H]1C(=O)Nc1c(Cl)ccc2nonc12	1333517125	AREYEWBJGUHNCN-NTSWFWBYSA-N	295.682	1.624	10	20	CDCD	
COc1ccc(CNC(=O)CCc2nccn2C)c(O)c1	1521549895	OCAZXBLECJLKCY-UHFFFAOYSA-N	289.335	1.383	10	20	CDCD	
COc1cccc(CNC[C@@]2(O)CCO[C@H]2C)c1O	227968610	OBDGPBVOEZQIGP-HZMBPMFUSA-N	267.325	1.030	10	20	CDCD	
CCCC[C@@H](N)C(=O)NCc1c(O)cccc1F	1577410351	AOGCWQUGBMPVBH-LLVKDONJSA-N	254.305	1.665	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)c1cc(C(=O)O)nn1C	1593760717	MINHFIOFDRZNQY-UHFFFAOYSA-N	289.291	1.096	10	20	CDCD	
COc1ccc(O)c([C@H](C)N[C@@H]2CCC[C@H]2O)c1	248523110	SKVAJKNBLAXPAR-MRCXROJRSA-N	251.326	1.965	10	20	CDCD	
Cc1cc(C(=O)Nc2ncnn2C)c(C)n1-c1ccccn1	162966556	SVFXHMDCMQUPBB-UHFFFAOYSA-N	296.334	1.870	10	20	CDCD	
COc1cc(N2CC[C@@H]([C@@H](C)O)C2)c([N+](=O)[O-])cc1OC	168307301	RIQDAECWTSVLLQ-NXEZZACHSA-N	296.323	1.819	10	20	CDCD	
COc1cccc(CNC(=O)N[C@@H]2CCC[C@H]2OC)c1O	156383999	RWAQLACAYAPPNM-VXGBXAGGSA-N	294.351	1.768	10	20	CDCD	
CC(C)C[C@H](N)CC(=O)NCc1ccccc1O	1122029258	VZGVNXVXBHFRLR-LBPRGKRZSA-N	250.342	1.772	10	20	CDCD	
CCN(CC)C(=O)CN(C)c1ccc(OC)cc1	844353473	OZDDPYWJXHDVNC-UHFFFAOYSA-N	250.342	2.000	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)c1ncccc1O	171258330	XWPJOBKXPCBLKO-UHFFFAOYSA-N	258.277	1.765	10	20	CDCD	
COc1ccc(O)c(CN[C@H](C)c2ncn(C)n2)c1	391941795	WRGLTBOADUJAJF-SECBINFHSA-N	262.313	1.380	10	20	CDCD	
CCc1cccc(CN(CC)CC(=O)NC)c1O	821982347	JLHJTOMAQUZRRC-UHFFFAOYSA-N	250.342	1.523	10	20	CDCD	
CC(C)c1noc(OCC(=O)c2ccc(O)c(O)c2)n1	107419181	IKOCVPBRLZHTOS-UHFFFAOYSA-N	278.264	1.866	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CCCOCC2)c1O	61919994	NVWJMVOYEZMPBC-UHFFFAOYSA-N	267.300	1.956	10	20	CDCD	
C[C@@](O)(CNCc1cc([N+](=O)[O-])ccc1O)c1ccco1	304279833	DJVTXJOJYNEOHM-CQSZACIVSA-N	292.291	1.891	10	20	CDCD	
CCn1ccnc(N[C@@H](C)Cc2ccc(O)c(O)c2)c1=O	184147652	ACRUWRVNUPDUCM-JTQLQIEISA-N	289.335	1.718	10	20	CDCD	
CCC[C@@H]1C(=O)NCCN1Cc1cccc(C)c1O	180552125	AKEGMOHNMKCRBN-CYBMUJFWSA-N	262.353	1.801	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(C=O)[nH]1	186379980	MZUGDFYZHSSBOY-VIFPVBQESA-N	288.303	1.599	10	20	CDCD	
C[C@@H](N[C@H]1CC(=O)N(C2CC2)C1)c1ccc(F)cc1O	186088489	HBJGEBBCUWHCNW-KOLCDFICSA-N	278.327	1.945	10	20	CDCD	
OCCN(Cc1ccccc1O)C[C@@H]1CCCO1	177715875	UIMSTQXIVLATDE-ZDUSSCGKSA-N	251.326	1.366	10	20	CDCD	
Oc1cc2c(cc1CN[C@@H]1C[C@H]3CC[C@H]1NC3)OCO2	530245977	IYTKHTOVAXAPAX-YUSALJHKSA-N	276.336	1.351	10	20	CDCD	
CC(C)[C@H](O)CN[C@H](C)c1cc([N+](=O)[O-])ccc1O	273574758	LPSRDAZEXADBJJ-NOZJJQNGSA-N	268.313	1.968	10	20	CDCD	
Cc1ccc(O)c(CN2CC[S@@](=O)C[C@@H](C)C2)c1	277588868	UQUXAIGDQYQMCE-KPZWWZAWSA-N	267.394	1.901	10	20	CDCD	
CC[C@H](O)CCNC(=O)c1c(F)ccc(O)c1O	276520805	CRROSQBVIPHDDW-ZETCQYMHSA-N	257.261	1.128	10	20	CDCD	
COc1ccc(CNC(=O)[C@@H]2C[C@@]23CCOC3)c(O)c1	373665666	IUNBLWVWBJNQAL-SWLSCSKDSA-N	277.320	1.444	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)[C@@H](C)CN)cc1F	285768749	LNZHOJKUTIGGEM-NSHDSACASA-N	281.375	1.883	10	20	CDCD	
COC(=O)c1cn(CCN[C@@H](C)c2ccccc2O)nn1	284293135	IHAONNSXXIUPJQ-JTQLQIEISA-N	290.323	1.121	10	20	CDCD	
CC(=O)C(=O)COC(=O)c1c(C)cccc1[N+](=O)[O-]	808492809	GLJLMSRETSQETH-UHFFFAOYSA-N	265.221	1.218	10	20	CDCD	
COCC[C@@H]1COCCN1Cc1cccc(C)c1O	291314729	RYXQFFWBGUTFJG-CQSZACIVSA-N	265.353	1.938	10	20	CDCD	
CC(=O)C(=O)Cn1nnnc1/C=C\c1ccccc1	808026051	SBTLNBITZQOHPG-FPLPWBNLSA-N	256.265	1.002	10	20	CDCD	
CC(=O)C(=O)CSc1nnc(Cc2cccs2)o1	808021101	ABECRQNLGMXKGP-UHFFFAOYSA-N	282.346	1.972	10	20	CDCD	
CCOC(=O)[C@H](CC(=O)NCc1ccccc1O)C(C)=O	816912309	RXQFUHHHURNWEW-GFCCVEGCSA-N	293.319	1.167	10	20	CDCD	
C[C@H](NCc1cc(Br)cc(F)c1O)C(=O)O	715719161	QHGWFHPEKNVVNS-YFKPBYRVSA-N	292.104	1.857	10	20	CDCD	
CC[C@@H](O)CCCNC(=O)c1c(F)ccc(O)c1O	826795225	XBUMXUPUPMFXDA-MRVPVSSYSA-N	271.288	1.518	10	20	CDCD	
CCOC(=O)CN(CCC(C)(C)O)Cc1ccccc1O	823576784	ZBOZKFFHZTWJMN-UHFFFAOYSA-N	295.379	1.918	10	20	CDCD	
COc1cc(O)c(CN2CCCC[C@@H]2C(=O)O)cc1OC	820775049	JKYHWHTYSDQLTB-LLVKDONJSA-N	295.335	1.849	10	20	CDCD	
O=C(O)[C@H]1CCCCN1Cc1cccc(F)c1O	821510239	IDKBIFOIONMIQU-LLVKDONJSA-N	253.273	1.970	10	20	CDCD	
COCCn1ccc(C(=O)N[C@H](C)c2ccccc2O)n1	827947047	ZKGKERITIWKEPC-LLVKDONJSA-N	289.335	1.726	10	20	CDCD	
C[C@H]1CN(Cc2cc3c(cc2O)OCO3)C[C@H]1C(=O)O	828455791	GSWXUTSAMRBJBR-WCBMZHEXSA-N	279.292	1.273	10	20	CDCD	
C[C@@H]1CC[C@H](CNCc2cc([N+](=O)[O-])ccc2O)O1	835086004	ASFNRTQCFVCWJC-BXKDBHETSA-N	266.297	1.958	10	20	CDCD	
CC(C)C1(O)CN(C(=O)c2c(F)ccc(O)c2O)C1	830028372	LMBFASLUZBWHSS-UHFFFAOYSA-N	269.272	1.080	10	20	CDCD	
CN1CCC[C@H](N(C)C(=O)c2cc(O)cs2)C1	748334730	KSJBGOCUEYHYRV-VIFPVBQESA-N	254.355	1.620	10	20	CDCD	
[N-]=[N+]=NCc1ccc(C(=O)N2CCC(O)CC2)o1	1537962313	DAGUIBIYDFXRHK-UHFFFAOYSA-N	250.258	1.687	10	20	CDCD	
Cc1c(CCC(=O)Nc2ccc(N)cc2)cnn1C	844162933	PBGLYQYIYULVTF-UHFFFAOYSA-N	258.325	1.882	10	20	CDCD	
CC[C@]1(C(=O)N[C@H](C)c2ccccc2O)CCNC1	1335789813	WOOCIVIMEUOQQB-ABAIWWIYSA-N	262.353	1.959	10	20	CDCD	
CCN1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1	1016368283	NMCHUXMYIMBJKM-LBPRGKRZSA-N	289.339	1.673	10	20	CDCD	
Nc1ccc(NC(=O)C(=O)NCC2=CCCCC2)cc1	841136174	ROAKCSHEUNUNQY-UHFFFAOYSA-N	273.336	1.824	10	20	CDCD	
CCc1cccc(CN2CCC(S(N)(=O)=O)CC2)c1O	848904885	CJCZVIHLZRHABL-UHFFFAOYSA-N	298.408	1.208	10	20	CDCD	
COc1cccc([C@H](C)NCC2([S@@](C)=O)CC2)c1O	846169206	YLEPSGPLXGATRU-APBUJDDRSA-N	283.393	1.963	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CCCCN2)c1	843489697	RZQJCSVXCUMTEP-ZWNOBZJWSA-N	278.352	1.720	10	20	CDCD	
NCC[C@@H](NCc1ccc(N2CCOCC2)cc1)C(F)F	841071938	JYIDDYBCMJLWRP-CQSZACIVSA-N	299.365	1.595	10	20	CDCD	
CC(C)NC(=O)CNCc1cc(F)c(N(C)C)cc1F	858088531	IIRPXZPWTQZVQL-UHFFFAOYSA-N	285.338	1.645	10	20	CDCD	
COc1ccc(O)c(CNC(=O)/C=C/SC)c1	751537812	IZXPIYNRVCTBBK-AATRIKPKSA-N	253.323	1.894	10	20	CDCD	
C[C@H]1CO[C@H](C)CN1CCNC(=O)Cc1ccc(N)cc1	852847906	YPVJVJMPDKDTOK-QWHCGFSZSA-N	291.395	1.037	10	20	CDCD	
COc1cccc(CN2CCC(CCC(N)=O)CC2)c1O	769469157	TZLHURJMYIVJNS-UHFFFAOYSA-N	292.379	1.878	10	20	CDCD	
O=C1C[C@H](NCc2cc(Cl)ccc2O)CCCN1	877612905	QJPXVHNZVZLABQ-LLVKDONJSA-N	268.744	1.804	10	20	CDCD	
COCC(=O)NC1CCN(Cc2ccc(C)cc2O)CC1	876618504	XCJFDLJJOISPPE-UHFFFAOYSA-N	292.379	1.428	10	20	CDCD	
COC(=O)[C@@H](COC(C)C)N(C)Cc1cc(F)ccc1O	779033844	OUGOUSBKJQRUFZ-CYBMUJFWSA-N	299.342	1.930	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CN2CCC(F)CC2)cc1	880241031	DBHJTSLIFIHNBK-UHFFFAOYSA-N	293.386	1.803	10	20	CDCD	
COCCONC(=O)N(C)Cc1ccc(N(C)C)cc1	789337187	KGZJLLCTGZJDMX-UHFFFAOYSA-N	281.356	1.472	10	20	CDCD	
Oc1c(F)cc(F)cc1CNC[C@@H](O)C1CCOCC1	883015897	HVWRNHQYAXTDKP-CYBMUJFWSA-N	287.306	1.548	10	20	CDCD	
NC(=O)[C@H]1CCC[C@H](C(=O)NCc2ccccc2O)C1	787131053	GBVDKJWUQDYCNZ-QWRGUYRKSA-N	276.336	1.300	10	20	CDCD	
COc1cc(C)cc(CN[C@@H](C)[C@H]2CN(C)CCO2)c1O	894345977	NYLHMGAQLDOSGS-SWLSCSKDSA-N	294.395	1.518	10	20	CDCD	
C[C@@H]1C[C@@H](C(=O)OCC(=O)c2ccc(O)c(O)c2)CO1	784875455	MACIDCGNKNZXHL-PSASIEDQSA-N	280.276	1.249	10	20	CDCD	
COc1ccc(CNC2CCOCC2)c(O)c1OC	892630054	XMKNHZIPUVSWQV-UHFFFAOYSA-N	267.325	1.678	10	20	CDCD	
COc1cc(C)cc(CN[C@H](C)c2n[nH]c(C)n2)c1O	894778916	VERKAEAWRVSAIG-SECBINFHSA-N	276.340	1.987	10	20	CDCD	
C[C@@H](NC(=O)NCC1=CCNCC1)c1ccccc1O	892066018	BNHUANPHXBJKJD-LLVKDONJSA-N	275.352	1.672	10	20	CDCD	
C[C@H](NC(=O)c1cc(O)cs1)c1nnnn1C1CC1	792521947	UIPSROITQAYMTI-LURJTMIESA-N	279.325	1.266	10	20	CDCD	
C[C@@H](NCc1nnnn1C1CC1)c1cc(F)ccc1O	756734665	YBQRTILAIYSHKR-MRVPVSSYSA-N	277.303	1.704	10	20	CDCD	
COc1cccc(O)c1CN1C[C@@H]2CCN(C)[C@@H]2C1	1324379515	WIYDOIWOORWIHZ-WCQYABFASA-N	262.353	1.537	10	20	CDCD	
C=CC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1	1335325069	XQIZMVYKXFIUAR-UHFFFAOYSA-N	287.363	1.191	10	20	CDCD	
O=C(O)[C@@H](CO)NCc1ccc(N2CCCCC2)cc1	1332033519	YZFZVGPDBUSYJP-CQSZACIVSA-N	278.352	1.212	10	20	CDCD	
CO[C@H]1CCCN(C(=O)NCc2ccc(N)cc2)C1	1337018950	MZXKZASXANQHKE-ZDUSSCGKSA-N	263.341	1.589	10	20	CDCD	
O=C(CN1CCCCCC1=O)NCc1cccc(O)c1O	1347235860	YSFQEXBDKVRVON-UHFFFAOYSA-N	292.335	1.117	10	20	CDCD	
CCN(CC)C[C@@H](C)NC(=O)NCc1ccc(N)cc1	1357648563	WGBONHMQYAWMFV-GFCCVEGCSA-N	278.400	1.798	10	20	CDCD	
Nc1ccc(CCNCc2c[nH]c(C(=O)O)c2)cc1	1601215500	BMRPHIZXFDHIDE-UHFFFAOYSA-N	259.309	1.627	10	20	CDCD	
O=C(NCC1(C(=O)O)CCCC1)c1c(F)ccc(O)c1O	1610689132	ZBSFYYTYTTYVDR-UHFFFAOYSA-N	297.282	1.612	10	20	CDCD	
Oc1cc(F)c(F)cc1CN1CC[C@@]12CCCNC2	1580888403	KICQDLDNLAAHCZ-CQSZACIVSA-N	268.307	1.998	10	20	CDCD	
COc1cccc(O)c1CN[C@H]1C[C@@H](C(=O)O)C1	1599680407	PERRKJPXXDXSMW-DTORHVGOSA-N	251.282	1.354	10	20	CDCD	
CCOc1ccc(N(C)CCNS(=O)(=O)CC)cc1	150727668	ITYLBFUGBDCFOO-UHFFFAOYSA-N	286.397	1.461	10	20	CDCD	
O=S(=O)(CCNCc1c(O)cccc1Cl)C1CC1	840964544	NORGSXAMYUMNMZ-UHFFFAOYSA-N	289.784	1.712	10	20	CDCD	
O=C(NCc1ccccc1O)[C@H]1C[C@]12CCCNC2	848426264	BTOXSUUUROEHAL-DOMZBBRYSA-N	260.337	1.398	10	20	CDCD	
C[C@H]1C[C@@H](CO)CCN1C(=O)c1cccc(O)c1O	291974882	UMMOIPUHRHYEDT-UWVGGRQHSA-N	265.309	1.331	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCC(CCO)CC1	400984573	LZALOPZJRPNWRK-UHFFFAOYSA-N	265.309	1.332	10	20	CDCD	
CCc1cccc(CNCC2(O)CCN(C)CC2)c1O	691484918	VTORTSLUNCBBQP-UHFFFAOYSA-N	278.396	1.501	10	20	CDCD	
CCc1cccc(CNC[C@@H](O)C(F)(F)F)c1O	691501040	SUPXWCJIOPOMDT-SNVBAGLBSA-N	263.259	1.967	10	20	CDCD	
C[C@@]1(CNC(=O)c2cccc(O)c2O)CCOC1	397229287	LIUOODIBVMDABT-ZDUSSCGKSA-N	251.282	1.254	10	20	CDCD	
CON(C)C(=O)CNCc1ccc(N2CCCC2)cc1	397546045	UDXZILROVBGRRL-UHFFFAOYSA-N	277.368	1.396	10	20	CDCD	
COc1cccc(CNC(=O)[C@@H]2CCOC2)c1O	105651033	XAJILHLESWPKTL-SNVBAGLBSA-N	251.282	1.054	10	20	CDCD	
CC[S@@](=O)c1ccccc1C(=O)N1CCS(=O)CC1	108275698	PIGDSGFOWSMKGY-IBGZPJMESA-N	299.417	1.019	10	20	CDCD	
OCC1CCN(Cc2ccc(N3CCOCC3)cc2)CC1	305740557	YOISGBWIFNXJLJ-UHFFFAOYSA-N	290.407	1.728	10	20	CDCD	
CC[C@H](C)n1nnnc1N(C)Cc1ccccc1O	1351038452	KNMJYNCCVHZGEP-JTQLQIEISA-N	261.329	1.986	10	20	CDCD	
Cc1nccc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)n1	186414754	QFTFJOJRTYWXEY-SECBINFHSA-N	287.319	1.557	10	20	CDCD	
CC(Cl)(Cl)C(=O)NCCc1ccc(O)c(O)c1	180708865	JJXLVJZYHXSHGY-UHFFFAOYSA-N	278.135	1.950	10	20	CDCD	
C[C@]1(CNC(=O)/C=C/c2ccc(O)c(O)c2)CCCO1	181179339	YNPFHRDVMKYEPP-CSPWOOARSA-N	277.320	1.796	10	20	CDCD	
CCOc1ccc(O)c(CN2CC[C@@](C)(O)C2)c1	180197932	MSVSBUWKYYTSHW-CQSZACIVSA-N	251.326	1.748	10	20	CDCD	
CC(C)(CNCc1cc(F)ccc1O)OCCO	290124081	JBZQJQPTTSSFQI-UHFFFAOYSA-N	257.305	1.408	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NCC(C)(C)CO)cc1	135163578	OQSWVINPOOGZMJ-UHFFFAOYSA-N	279.384	1.570	10	20	CDCD	
Cc1cc(O)c(CN(C)[C@H](C)CS(C)(=O)=O)cc1C	93384547	VDNSOZMYQBAFRI-GFCCVEGCSA-N	285.409	1.874	10	20	CDCD	
CN(C(=O)C12CCCN1CCC2)c1ccc(N)cc1	1331060190	YCSJVZCWMCEJFJ-UHFFFAOYSA-N	259.353	1.860	10	20	CDCD	
C[C@H](NCCCO)c1ccc(N2CCOCC2)cc1	268726985	RMHNMCXWCWEKNO-ZDUSSCGKSA-N	264.369	1.556	10	20	CDCD	
C[C@@H](NC(=O)NCc1ccccc1O)[C@H]1CCOC1	266631657	WXHLSENXQDUBTM-PWSUYJOCSA-N	264.325	1.616	10	20	CDCD	
O=C(NCCCO[C@@H]1CCOC1)c1c(F)ccc(O)c1O	276572610	NHFKHDWVCYTIKH-SECBINFHSA-N	299.298	1.162	10	20	CDCD	
O=C(NC[C@H]1CCOC1)c1c(F)ccc(O)c1O	276551200	HQSAQJKAGZRSMP-SSDOTTSWSA-N	255.245	1.003	10	20	CDCD	
CN1CCC[C@@H](N2CCN(Cc3ccccc3O)CC2)C1	374286026	WLYQJGLMUPWSJV-MRXNPFEDSA-N	289.423	1.604	10	20	CDCD	
COC(=O)[C@H](C)N(C)C(=O)c1ccc(C)c(O)c1O	281464597	CEEZPNKOWGXATP-QMMMGPOBSA-N	267.281	1.040	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cncn1C	291789493	YFUBDMGLBVQKFE-SECBINFHSA-N	275.308	1.192	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@H](n2cccn2)C1	298386161	VTZZMMQKEDUWIB-LQPUYASZSA-N	299.330	1.781	10	20	CDCD	
C[C@@H]1C[C@H](NC[C@@H]2CNCCO2)c2c(O)ccc(F)c21	817984169	VQYLDTYLKMEVSN-SCVCMEIPSA-N	280.343	1.658	10	20	CDCD	
C[C@@H]1O[C@H](C)C[C@@H]1NC[C@@H](N)c1ccc(N(C)C)cc1	817943299	UCWRQSWAMTWZDC-KOZAUXTDSA-N	277.412	1.908	10	20	CDCD	
COc1cc(O)c(CNCCOCCF)cc1OC	827951355	YBJVSQPHQRSTHK-UHFFFAOYSA-N	273.304	1.485	10	20	CDCD	
OCCCN1CCC[C@@H]1CNCc1cc(F)ccc1O	824563998	FDIKVFKMPJXERU-CQSZACIVSA-N	282.359	1.468	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)C(OC)OC	820877608	CFEMBSDHKBSRHM-UHFFFAOYSA-N	267.325	1.750	10	20	CDCD	
CN(C)C(=O)N[C@@H]1CCCN(Cc2ccccc2O)C1	825278766	IFYBRTVCYDAXLK-CYBMUJFWSA-N	277.368	1.628	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)CCn1ccnn1	734407448	WMGIWPUYOKTRPU-UHFFFAOYSA-N	287.367	1.359	10	20	CDCD	
CCOC(=O)CCCOC(=O)c1cc(O)cs1	733497457	VWZUAJLNGMAOCV-UHFFFAOYSA-N	258.295	1.954	10	20	CDCD	
COCCCOCCC(=O)N(C)Cc1ccccc1O	830140628	DZEFVZXVBQUYDF-UHFFFAOYSA-N	281.352	1.794	10	20	CDCD	
C[C@H](CCN)NCc1ccc(N2CCOCC2)cc1	841051000	MFXVFKYPJQVNEJ-CYBMUJFWSA-N	263.385	1.350	10	20	CDCD	
CNCC1CCN(Cc2cc3c(cc2O)OCO3)CC1	843048988	DKHVMGACHVXJMU-UHFFFAOYSA-N	278.352	1.552	10	20	CDCD	
COc1cc(Cl)cc(CNC[C@H](C)CN)c1O	841049196	NTRMIKMGYSYYMB-MRVPVSSYSA-N	258.749	1.739	10	20	CDCD	
CCc1cccc(CN(CCOC)[C@@H](C)C(N)=O)c1O	848884874	HLBHGBKMAGZYMT-NSHDSACASA-N	280.368	1.277	10	20	CDCD	
C[C@@H]1CC[C@@H](C)N1Cc1cc(O)n2ncc(C(=O)O)c2n1	846257591	SJIUPKSSNJYQMT-RKDXNWHRSA-N	290.323	1.506	10	20	CDCD	
Oc1cccc2c1[C@H](NCC[C@@]1(O)CCCOC1)CC2	846211020	FLPCSTGFJURHRV-CJNGLKHVSA-N	277.364	1.901	10	20	CDCD	
CCc1cccc(CN2CCOC[C@H]2c2ncon2)c1O	848901410	RTHQCUVQXMBFAH-ZDUSSCGKSA-N	289.335	1.911	10	20	CDCD	
CNCC1CCN(Cc2cc(OC)c(OC)cc2O)CC1	843049471	MXMLRCJNKQPQQB-UHFFFAOYSA-N	294.395	1.841	10	20	CDCD	
Cc1c(CC(=O)NCc2cc(Cl)ccc2O)cnn1C	846475716	GPOOGFISKDJHEJ-UHFFFAOYSA-N	293.754	1.946	10	20	CDCD	
CCOCCOCCNC(=O)NCc1cc(C)ccc1O	927535049	VLZLKXQRUNSBQH-UHFFFAOYSA-N	296.367	1.553	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NC[C@@H](C)N(C)C2CC2)c1	858283929	VHVCNCUBVSRSIJ-GFCCVEGCSA-N	291.395	1.983	10	20	CDCD	
O=C(c1c(F)ccc(O)c1O)N1CC[C@H]2C[C@H]2C1	857331443	WTQFXZDEQHNOSM-YUMQZZPRSA-N	251.257	1.719	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NCCc2cn[nH]c2)c1	858467871	WMVVYZDZVLEOKV-UHFFFAOYSA-N	274.324	1.466	10	20	CDCD	
Cc1cc(C)c(O)c(CN2CCN([C@@H]3CCOC3)CC2)c1	853554415	XLTHUIZXRWTFCQ-MRXNPFEDSA-N	290.407	1.916	10	20	CDCD	
CCC1(O)CN(C(=O)/C=C\c2ccc(O)c(O)c2)C1	854380471	LYEXGCAUOSRPIF-XQRVVYSFSA-N	263.293	1.094	10	20	CDCD	
Cc1cc(O)c(CN2CC(OCC(=O)N(C)C)C2)cc1C	751944580	VLAFUYJOUVMBFK-UHFFFAOYSA-N	292.379	1.298	10	20	CDCD	
CC[C@@](C)(O)C(=O)NCc1ccc(N(C)C)cc1C	932944177	RZECDOQNSGCBQJ-OAHLLOKOSA-N	264.369	1.838	10	20	CDCD	
COc1ccc(O)c(CNC(=O)/C=C\c2cnn(C)c2)c1	769539237	GNPDZLDRECIZRM-UTCJRWHESA-N	287.319	1.464	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@](C)(O)COC	764895861	WUMQWMGUMHATJC-MRXNPFEDSA-N	294.395	1.499	10	20	CDCD	
CN(C)c1ccc(CN2CCN3C(=O)CC[C@H]3C2)cc1	769206499	NMYHTLVKGKCHIC-HNNXBMFYSA-N	273.380	1.559	10	20	CDCD	
COc1cccc(CN(C)Cc2nnc3n2CCC3)c1O	768224069	PWOORQCPYLULTP-UHFFFAOYSA-N	288.351	1.571	10	20	CDCD	
CCOc1ccc(CN(C)CC(=O)OC)c(O)c1	768401627	UANNOJLJYFYDMY-UHFFFAOYSA-N	253.298	1.396	10	20	CDCD	
COc1cccc([C@H](C)N[C@H]2CCC[C@@H]2O)c1O	866489827	WRAMTCBTUZZEDJ-DLOVCJGASA-N	251.326	1.965	10	20	CDCD	
CCOCCn1cc(C(=O)N(C)c2ccc(N)cc2)cn1	877074486	LYGSVQUDVVGDFG-UHFFFAOYSA-N	288.351	1.778	10	20	CDCD	
Cc1ccc(CN2CC[S@](=O)C[C@H](C)C2)c(O)c1	877477683	HJPYEXJJMHVSPH-XIKOKIGWSA-N	267.394	1.901	10	20	CDCD	
Oc1c(F)cc(F)cc1CNC[C@@H](O)COCC1CC1	882945942	OQZXXSHNRUXLQV-GFCCVEGCSA-N	287.306	1.548	10	20	CDCD	
c1cc(N2CCOCC2)ccc1CN1C[C@@H]2CNC[C@H]2C1	770394753	LUBFOXKUZSWJLO-HOTGVXAUSA-N	287.407	1.174	10	20	CDCD	
CN(C)c1cc(F)c(CN[C@@H]2C[C@H](O)[C@H](O)C2)cc1F	886251811	LMLAFZFWJHMAJM-KFKUMKOWSA-N	286.322	1.005	10	20	CDCD	
CC[C@H](C[C@H](C)CO)NC(=O)c1ccc(C)c(O)c1O	780982893	ISOZAXAPWZUTFJ-GXSJLCMTSA-N	281.352	1.933	10	20	CDCD	
O=C1CC[C@@H]2CN(Cc3cc(F)cc(F)c3O)CC[C@@H]2N1	895258299	BYOWZGUFJOJEPU-RNCFNFMXSA-N	296.317	1.771	10	20	CDCD	
CO[C@@H]1CN(Cc2c(O)ccc(Cl)c2F)CCO1	895968358	MFEXWEHUNUMFCT-NSHDSACASA-N	275.707	1.989	10	20	CDCD	
Oc1c(Br)cccc1CNC[C@@H]1COCO1	894873022	MEYFUTFZYGNBRC-SECBINFHSA-N	288.141	1.617	10	20	CDCD	
OC1CCN(c2ccc(CNC[C@@H]3COCO3)cc2)CC1	894887310	ZUGNYOZZYNOOBR-MRXNPFEDSA-N	292.379	1.110	10	20	CDCD	
CN(CC1(C)COC1)C(=O)c1cccc(O)c1O	702982446	ULNCFYOVQDXZPR-UHFFFAOYSA-N	251.282	1.206	10	20	CDCD	
COC[C@@H](C)OC[C@@H](O)CN(C)Cc1ccccc1O	278349043	MMYYSWUWWYNZIX-OCCSQVGLSA-N	283.368	1.236	10	20	CDCD	
COc1ccc(CN(C)CC(C)(C)CO)c(O)c1OC	894688394	RVJKYHGTVGSBKS-UHFFFAOYSA-N	283.368	1.860	10	20	CDCD	
COCCCOCCN(C)C(=O)c1cccc(O)c1O	790918054	MIWIZOYGPIPKJS-UHFFFAOYSA-N	283.324	1.223	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@@H]1CCCCN1C	731872204	YHWRJDACTZZUGM-ZDUSSCGKSA-N	262.353	1.835	10	20	CDCD	
Cn1cc(C(=O)O)c(NC(=O)NCc2ccccc2O)n1	1608102349	HTOACWBAKAFHLE-UHFFFAOYSA-N	290.279	1.146	10	20	CDCD	
COc1cc(C)c(CN[C@@H]2CNCCC2(F)F)c(O)c1	1579144387	DGLSUPXDBPESMY-CYBMUJFWSA-N	286.322	1.796	10	20	CDCD	
C[C@@H](NC(=O)N[C@H]1CCN[C@@H]1C)c1ccc(N(C)C)cc1	1576213385	YXZACAUJXDBGSL-JMSVASOKSA-N	290.411	1.863	10	20	CDCD	
COc1cccc(CNCC2(CN)CCC2)c1O	1579277545	FKXVUKJKSFMGTH-UHFFFAOYSA-N	250.342	1.619	10	20	CDCD	
CC1(C)CNCC[C@H]1NC(=O)NCc1c(O)cccc1F	1576481348	XXFNUDISEASIIX-CYBMUJFWSA-N	295.358	1.719	10	20	CDCD	
COc1cc(O)c(CN2CC[C@H]3CNC[C@H]32)cc1OC	1579166371	GSHODGPBTPPQBX-CMPLNLGQSA-N	278.352	1.203	10	20	CDCD	
O=C(O)[C@@H]1CCN(Cc2ccc(F)c(F)c2O)C1	1594934024	QRYRISJVDYGNPC-MRVPVSSYSA-N	257.236	1.577	10	20	CDCD	
C[C@H]1C[C@@](NCc2ccc3c(c2)CCO3)(C(=O)O)CCO1	1776600596	INFNEVUQWZTXBD-MEDUHNTESA-N	291.347	1.733	10	20	CDCD	
COc1cccc(O)c1CN1CC[C@@H](N)[C@H](C)C1	843051938	MYFNSAYZHWWWLZ-ZYHUDNBSSA-N	250.342	1.570	10	20	CDCD	
Cc1ccc(O)c([C@H](C)NC[C@]2(O)CCO[C@H]2C)c1	278855470	QRKQBANJTJYEED-SLEUVZQESA-N	265.353	1.891	10	20	CDCD	
C[C@@H]1CCC[C@@]1(O)CNC(=O)c1cccc(O)c1O	294389412	SLTNWJGWIKSHAS-YMTOWFKASA-N	265.309	1.379	10	20	CDCD	
Cc1ccc(O)c([C@@H](C)NCCN2CCC(O)CC2)c1	295817061	BMUJCUNKMLWUCQ-CYBMUJFWSA-N	278.396	1.808	10	20	CDCD	
CN(CCn1cccn1)C(=O)c1cccc(O)c1O	187086170	RVWQSTDLZNAURP-UHFFFAOYSA-N	261.281	1.067	10	20	CDCD	
CCCN1CC[C@@H](NC(=O)c2cccc(O)c2O)C1	389661136	BQUBXFXJCGPWLP-SNVBAGLBSA-N	264.325	1.312	10	20	CDCD	
Cc1cccc(CNC[C@H](C)S(C)(=O)=O)c1O	697621038	QTDZMWPIYSEHCF-JTQLQIEISA-N	257.355	1.223	10	20	CDCD	
COc1ccc(O)c(CNCc2c(C)cnn2C)c1	394112761	RTOOBWQTNMHBQF-UHFFFAOYSA-N	261.325	1.733	10	20	CDCD	
COC(=O)C[C@@H]1CCCN1Cc1cc(OC)ccc1O	180419177	AKIMXZMCVCPNRN-LBPRGKRZSA-N	279.336	1.928	10	20	CDCD	
COc1cccc(CNC(=O)NC[C@@H](C)SC)c1O	133760235	STSMEOIICBVRJM-SECBINFHSA-N	284.381	1.952	10	20	CDCD	
COc1cc(N(C)CC(=O)O)cc(OC)c1OC	49845287	AKFQUDQAKPDWQU-UHFFFAOYSA-N	255.270	1.233	10	20	CDCD	
C[C@@H](O)CN(C)CC(=O)N(C)Cc1ccc(N(C)C)cc1	131111307	YPDZUBDVTLVIGN-CYBMUJFWSA-N	293.411	1.024	10	20	CDCD	
CC(C)c1cccc(NC=C2C(=O)NC(=S)NC2=O)c1	48402789	KNJVDCFMAJXHBY-UHFFFAOYSA-N	289.360	1.637	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NOC[C@@H]2CCOC2)cc1	191029897	VCGZJYAYVJJLAD-CYBMUJFWSA-N	293.367	1.520	10	20	CDCD	
CN(C)CCOCCNCc1ccc(N2CCCC2)cc1	231676746	PVAKDRURNPAJJC-UHFFFAOYSA-N	291.439	1.955	10	20	CDCD	
O=C(O)C[C@@H]1CN(Cc2cc(Cl)ccc2O)CCO1	91298758	IFAZRMUZTPOUEY-LLVKDONJSA-N	285.727	1.721	10	20	CDCD	
NS(=O)(=O)c1cccc(NCc2cc(F)ccc2O)c1	236299797	YBAJBERSUKMWDA-UHFFFAOYSA-N	296.323	1.791	10	20	CDCD	
C[C@H](CNC(=O)NCc1ccccc1O)N(C)C1CC1	264302474	OIQDUOUPCOPXGK-LLVKDONJSA-N	277.368	1.674	10	20	CDCD	
C[C@H](NC[C@@H](O)c1cnn(C)c1)c1ccc(N(C)C)cc1	268875388	ISQXFGSMGPHLMU-BLLLJJGKSA-N	288.395	1.870	10	20	CDCD	
CCN(CCN1C(=O)CCC1=O)c1ccc(OC)cc1	269575543	CGMPETQTVHDAMF-UHFFFAOYSA-N	276.336	1.671	10	20	CDCD	
CC[C@@H](NC[C@H]1COCCN1)c1ccc(C)cc1O	530222522	FZOPDYZHXIIFOK-GXTWGEPZSA-N	264.369	1.730	10	20	CDCD	
C[C@@H]1CC(=O)NCCN1Cc1cc(F)ccc1O	368132745	GVNLUFMFACPWSU-SECBINFHSA-N	252.289	1.242	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H]1CCCCO1	272493935	SACRZNAWXDLMKK-PZBABLGHSA-N	277.320	1.796	10	20	CDCD	
C[C@@H](NC[C@@H](O)C1CCOCC1)c1ccccc1O	272900311	UYLMZRSTROEWSA-IAQYHMDHSA-N	265.353	1.830	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)NCC2(C)OCCO2)c1	273548810	ZXOVUZCXYZDHHP-SNVBAGLBSA-N	295.335	1.592	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccncn1	275024564	JAKHKRYYOIGISD-UHFFFAOYSA-N	284.319	1.582	10	20	CDCD	
COC(=O)N1CC(N[C@@H](C)c2ccc(F)c(F)c2O)C1	276863294	CWAXOFAJXUUKND-ZETCQYMHSA-N	286.278	1.772	10	20	CDCD	
CC(=O)C(=O)COC(=O)c1ccc(OC(F)F)cc1	808483806	ALWUULFPJTVFJH-UHFFFAOYSA-N	272.203	1.603	10	20	CDCD	
Cc1ccc(N(C)C(=O)/C=C\c2cnn(C)c2)nc1	809347088	VQRLKBZPVNPPNG-ALCCZGGFSA-N	256.309	1.800	10	20	CDCD	
CC[C@@H]1CN(C)CCN1Cc1cc2c(cc1O)OCO2	816660977	XCMRSJXAPRPESB-GFCCVEGCSA-N	278.352	1.647	10	20	CDCD	
CN1CCN(c2ccc(CNC(CF)CF)cc2)CC1	824554876	OXMSTBNSNMSDTG-UHFFFAOYSA-N	283.366	1.836	10	20	CDCD	
CCOC(=O)[C@H]1CCN(C(=O)c2cc(O)cs2)C1	834869138	NNRBSBOOBNANGT-QMMMGPOBSA-N	269.322	1.479	10	20	CDCD	
COC(=O)CC(=O)N[C@H](C)c1cc(OC)ccc1O	907061656	WHIOTGJZPDCJPG-MRVPVSSYSA-N	267.281	1.141	10	20	CDCD	
COC(=O)C1CCC(NC(=O)c2cc(O)cs2)CC1	732289253	NRNATDGDLWYAMR-UHFFFAOYSA-N	283.349	1.915	10	20	CDCD	
CCc1nnc(S)n1CCNC(=O)c1cc(O)cs1	743665218	KECQXFQBUJCIGK-UHFFFAOYSA-N	298.393	1.326	10	20	CDCD	
COc1ccc(N2CCC(NC[C@H](N)C3CC3)CC2)cc1	841050671	KBMAGTWFLLQSGO-KRWDZBQOSA-N	289.423	1.991	10	20	CDCD	
CCOc1ccc(O)c(CN2CC[C@H](C(=O)N(C)C)C2)c1	840957956	NLHIPURACLEVQI-LBPRGKRZSA-N	292.379	1.701	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@H](C)CN)c1	841968581	AXPOVMVRPFMUEA-BDAKNGLRSA-N	267.329	1.108	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)[C@H]1CCCOC1	910954543	LEPKSYIIXAIDLS-JTQLQIEISA-N	251.282	1.141	10	20	CDCD	
N[C@H](CNCc1cc(Br)ccc1O)C1CC1	841049342	KJDYSPLBRRGBCA-LLVKDONJSA-N	285.185	1.982	10	20	CDCD	
CCOc1ccc(CN2CCC[C@@H]2CNC)c(O)c1	843055248	HQJQMDWHGUPQML-CYBMUJFWSA-N	264.369	1.975	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NC2CCNCC2)cc1F	841758285	AIEJDOCRIBWWPS-UHFFFAOYSA-N	294.374	1.443	10	20	CDCD	
Cc1noc(CN(C)Cc2cc3c(cc2O)OC[C@H]3O)n1	848506126	UNENAPQUMFBHKX-GFCCVEGCSA-N	291.307	1.141	10	20	CDCD	
C[C@H]1C[C@@H](N[C@H](C)CC(N)=O)c2c(O)ccc(F)c21	756659289	COIUSXHYBBFEKV-QXFUBDJGSA-N	266.316	1.933	10	20	CDCD	
COc1ccc(N(CC(=O)O)CC(=O)NC2CCC2)cc1	853010592	GSTMVCUCCYTSCO-UHFFFAOYSA-N	292.335	1.255	10	20	CDCD	
CC[C@@H](NCCN1CC[C@@H](O)C1)c1ccc(C)cc1O	858547618	HOZNUQBHTBQOQK-UKRRQHHQSA-N	278.396	1.808	10	20	CDCD	
CO[C@H]1CCCN(C(=O)C(=O)Nc2ccc(N)cc2)CC1	850833116	ZQVUICRVCCPGGB-ZDUSSCGKSA-N	291.351	1.235	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)NC[C@](C)(O)C2CC2)c1	756570587	WSCJUJRPTKFOKT-HWPZZCPQSA-N	293.363	1.990	10	20	CDCD	
COC[C@H](C)NC(=O)N[C@H](C)c1ccccc1O	864424113	JJSQXCKQHTYZIN-VHSXEESVSA-N	252.314	1.787	10	20	CDCD	
COC(C)(C)CCNC(=O)c1ccc(C)c(O)c1O	871257243	UXBZRRQBNARHTQ-UHFFFAOYSA-N	267.325	1.951	10	20	CDCD	
CSC[C@@H](CCO)NC(=O)c1cc(O)cs1	765257624	OYPXWAGIOJPYEW-SSDOTTSWSA-N	261.368	1.298	10	20	CDCD	
Cc1ccc(CN2CCOC[C@@H]2c2ncon2)c(O)c1	877179307	QOGAVHXFARIFMH-GFCCVEGCSA-N	275.308	1.657	10	20	CDCD	
C[C@@H](NC(=O)N[C@H]1CCOC1)c1ccc(N(C)C)cc1	773414053	LGTNSYVMJUWRST-YPMHNXCESA-N	277.368	1.902	10	20	CDCD	
COCCN(C)C(=O)/C=C/c1ccc(O)c(O)c1	779482434	RYLMBIBXQCPDHI-GQCTYLIASA-N	251.282	1.216	10	20	CDCD	
CC(C)N(C)S(=O)(=O)N[C@@H](C)c1ccc(N(C)C)cc1	773083706	HNGKEXJBCSWZPQ-LBPRGKRZSA-N	299.440	1.988	10	20	CDCD	
CCN(CC)C(=O)COC(=O)/C=C/c1ccc(O)c(O)c1	772773126	BPGDAPSTNPDPGW-SOFGYWHQSA-N	293.319	1.523	10	20	CDCD	
C[C@@H](NCc1nnc2n1CCC2)c1c(O)cccc1F	886498677	LWHBDBYSZLMBKV-SECBINFHSA-N	276.315	1.920	10	20	CDCD	
CCOc1cccc(CN2CCn3ncnc3C2)c1O	770663427	CTQJCNQOIYWJDC-UHFFFAOYSA-N	274.324	1.398	10	20	CDCD	
C[C@H]1COCCN(C(=O)NCc2ccc(N)cc2)C1	1120585150	ZPHDWFSRGSOHAN-LLVKDONJSA-N	263.341	1.447	10	20	CDCD	
CC1(C)CN(C(=O)c2c(F)ccc(O)c2O)CCO1	789957813	XOKMDSJBJNCWRL-UHFFFAOYSA-N	269.272	1.488	10	20	CDCD	
CC[C@@H]1CC[C@H](C(=O)OCC(=O)c2ccc(O)c(O)c2)O1	784104049	MTWOUJSTHVDZOU-QMTHXVAHSA-N	294.303	1.781	10	20	CDCD	
CC[C@](C)(CO)NCc1ccc(OC)c(OC)c1O	893324757	YIQTYYSLXPLBTP-CQSZACIVSA-N	269.341	1.660	10	20	CDCD	
O=C(CNCc1c(O)cccc1Cl)NCC(F)F	280206903	FIZGOQGBHZMZQJ-UHFFFAOYSA-N	278.686	1.517	10	20	CDCD	
CCn1cc(CNCc2ccc(OC)c(OC)c2O)cn1	893002067	VBFHVNQNNYZYMC-UHFFFAOYSA-N	291.351	1.916	10	20	CDCD	
CN(C)c1ccc(CNCCCCS(C)(=O)=O)cc1	692843459	UTGCDPQUPJWYOZ-UHFFFAOYSA-N	284.425	1.667	10	20	CDCD	
CN1C(=O)CC[C@@H](NCc2cc(Cl)ccc2O)C1=O	90026436	FMMKJKXNJMOKBS-SNVBAGLBSA-N	282.727	1.283	10	20	CDCD	
Cc1cc(CC(=O)NCC(=O)O)c(C)n1-c1ccccc1	1328761514	FAPZVOVPTZDROZ-UHFFFAOYSA-N	286.331	1.837	10	20	CDCD	
C[C@H](C(=O)O)C1(NCc2ccc3c(c2)CCO3)CC1	1328605421	SCFVUQKDRCLDSR-SNVBAGLBSA-N	261.321	1.964	10	20	CDCD	
O=C(O)[C@@H]1CN(Cc2ccc(Cl)cc2O)CCO1	1601848203	WJWRNPQZTLTOGO-NSHDSACASA-N	271.700	1.331	10	20	CDCD	
COCCCN(CCO)Cc1cc(C)cc(OC)c1O	1334366060	BBBZJUAABIIWFN-UHFFFAOYSA-N	283.368	1.540	10	20	CDCD	
CO[C@@H](C(=O)NCc1ccc(N)cc1)c1cnn(C)c1	1346210199	PFSFQFUDWUTUBS-CYBMUJFWSA-N	274.324	1.006	10	20	CDCD	
COC[C@@](C)(CC(=O)O)NCc1ccccc1O	1350611089	OJHHPCPGEDXBPT-CYBMUJFWSA-N	253.298	1.362	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CC[C@H]1C(=O)O	1574332580	AYKKEHMEYZEYSN-UONOGXRCSA-N	290.363	1.788	10	20	CDCD	
COC[C@@]1(C(=O)NCc2cccc(Cl)c2O)CCNC1	1578976876	LCDQOIGYHOQPBM-CQSZACIVSA-N	298.770	1.288	10	20	CDCD	
C[C@H](O)CCCN[C@H](C)c1cccc(-c2nn[nH]n2)c1O	1589998328	RKGQXFXBNMKENH-VHSXEESVSA-N	291.355	1.384	10	20	CDCD	
C[C@H](NC[C@@H](O)[C@H]1CCCO1)c1cc(C(=O)O)ccc1O	1593246014	FZTLAOSVYUCUPZ-CUOATXAZSA-N	295.335	1.281	10	20	CDCD	
CCCC[C@H](NCc1ccc(N(C)C)cc1)[C@@H](O)C(=O)O	1776772977	CYCANDQDFINRIJ-LSDHHAIUSA-N	294.395	1.847	10	20	CDCD	
COC[C@@H](CC(=O)O)NCc1ccc(OC)c(C)c1	1777228751	RDIIOVCPIRZABF-GFCCVEGCSA-N	267.325	1.583	10	20	CDCD	
CO[C@H]1C[C@](NCc2cc([N+](=O)[O-])ccc2O)(C(=O)O)C1	1777248840	TXFNELYRCAJXRG-GSJFWJNXSA-N	296.279	1.022	10	20	CDCD	
COC(=O)c1cnc(NCc2ccccc2O)nc1	804398202	CTJGYSJXSOYNNX-UHFFFAOYSA-N	259.265	1.581	10	20	CDCD	
Cc1ccc(O)c(CN2CCN([C@H]3CCOC3)CC2)c1	827119556	NHABBVUASLFTAV-HNNXBMFYSA-N	276.380	1.607	10	20	CDCD	
NC[C@H](NC(=O)Cc1ccc(N)cc1)C1CCCC1	841856035	LGXMNLFLCGKQQJ-AWEZNQCLSA-N	261.369	1.445	10	20	CDCD	
COc1ccc(O)c(CN2CCC3(CCNCC3)C2)c1	843120179	MOXBNTQSUCTTHG-UHFFFAOYSA-N	276.380	1.976	10	20	CDCD	
CCc1cccc(CNCc2cnnn2CC)c1O	862434597	YBOKIBSSBITXOC-UHFFFAOYSA-N	260.341	1.856	10	20	CDCD	
COCCN1CC[C@@H](NCc2cc(F)cc(F)c2O)C1	882989269	IYLPFQDBRXLZLA-GFCCVEGCSA-N	286.322	1.481	10	20	CDCD	
O=C(O)[C@H]1CCC[C@@H](C(=O)NCc2ccccc2O)C1	380355642	GRHQJYCUOSROQO-MNOVXSKESA-N	277.320	1.899	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@@H](C)OCC2CC2)c1	114543522	XRVHVDOQVVRGPZ-SNVBAGLBSA-N	279.336	1.832	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N[C@H]2CCOC2)cc1F	178754128	VZUYGLAXNQFRFB-NSHDSACASA-N	281.331	1.480	10	20	CDCD	
Cc1ccc(C(=O)NCc2ccncc2)c(O)c1O	177660565	LKGXJTVDHDZRLF-UHFFFAOYSA-N	258.277	1.731	10	20	CDCD	
CS(=O)(=O)CCN(Cc1ccccc1O)C1CC1	179583176	GLZKOYNXVHEVHH-UHFFFAOYSA-N	269.366	1.401	10	20	CDCD	
O=C(NCC1CCOCC1)c1cccc(O)c1O	126419325	ZIYZZQAODFWVFK-UHFFFAOYSA-N	251.282	1.254	10	20	CDCD	
CC1(C(=O)NCc2ccc(N3CCOCC3)cc2)CC1	131122730	LIBIAVZDOVGFSQ-UHFFFAOYSA-N	274.364	1.940	10	20	CDCD	
C[C@@H]1CN(Cc2ccc(N(C)C)cc2)C[C@H](CO)O1	191520087	AZTOQVPGTOTCIE-IUODEOHRSA-N	264.369	1.334	10	20	CDCD	
CO[C@@H](C)CS(=O)(=O)Nc1ccc(O)c(Cl)c1	193339564	KVFWTEGEURRFND-ZETCQYMHSA-N	279.745	1.822	10	20	CDCD	
Nc1ccc(CCNC(=O)CCOC[C@H]2CCCO2)cc1	238123854	FLOLHMWUHAPYBX-OAHLLOKOSA-N	292.379	1.513	10	20	CDCD	
CN1CCCc2cc(CNC(=O)[C@@]3(C)CCNC3)ccc21	237128932	FKLAURIQTFJZJM-KRWDZBQOSA-N	287.407	1.685	10	20	CDCD	
COCC[C@](C)(O)CNCc1cccc(C)c1O	182210630	KPNUJJNRLLRMLF-AWEZNQCLSA-N	253.342	1.578	10	20	CDCD	
COC[C@H](O)CCN[C@@H](C)c1cc(C(=O)OC)ccc1O	273511685	RVMFXXRQHIMZSU-CMPLNLGQSA-N	297.351	1.227	10	20	CDCD	
C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1cccc(O)c1O	279304999	NUBJQVXTOIGKOL-BXKDBHETSA-N	276.336	1.310	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@@](C)(O)C1CC1	274978674	WXGXLEOPVWIBDG-MGPLVRAMSA-N	293.363	1.696	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN(C)CC(C)(C)O)c1O	278334927	ZTPYYAWCABMSRF-UHFFFAOYSA-N	284.312	1.512	10	20	CDCD	
OC[C@@H](CNCc1cc(F)ccc1O)[C@@H]1CCOC1	280443725	CUYBVYUFPQLSBZ-ZYHUDNBSSA-N	269.316	1.266	10	20	CDCD	
CC[C@H](N[C@H]1COC[C@@H]1OC)c1ccc(F)cc1O	290196450	OSSCASZWZHJRFG-OBJOEFQTSA-N	269.316	1.986	10	20	CDCD	
COc1ccc(O)c(CNC(=O)N[C@@H]2CSC[C@H]2C)c1	806810156	HUVVLEXBLLFMBD-BXKDBHETSA-N	296.392	1.952	10	20	CDCD	
C[C@@H](CCN(C)C)NC(=O)NCc1ccc(N(C)C)cc1	299357237	SYFNPDOKBHNHRL-ZDUSSCGKSA-N	292.427	1.892	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)Cc1cnn(C)n1	809934399	UKGPUHRXMXYMMD-UHFFFAOYSA-N	273.384	1.903	10	20	CDCD	
Cc1c(CC(=O)NCCc2ccc(O)c(O)c2)cnn1C	815833749	BVAPQRPBZHMYPK-UHFFFAOYSA-N	289.335	1.041	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)NCCC(=O)O)c1	818603262	AJTKYIQQVRDLQC-MRVPVSSYSA-N	282.296	1.236	10	20	CDCD	
CSCCN1C(=O)CN(Cc2ccccc2O)C1=O	819165985	JFZJVXCZWTUPTK-UHFFFAOYSA-N	280.349	1.519	10	20	CDCD	
Cc1ncc(C(=O)NCCc2ccc(N)cc2)c(C)n1	818544890	WSHJPBHZNGYYCA-UHFFFAOYSA-N	270.336	1.648	10	20	CDCD	
CN(C[C@@H](N)CC(F)F)c1ccc2c(c1)OCO2	903902563	JQBHDDIZCZSHHT-QMMMGPOBSA-N	258.268	1.834	10	20	CDCD	
Cc1cccc(CN[C@@H]2C[C@@H]3CCCCN3C2=O)c1O	835072671	HWMHUQKOBNGCQU-UONOGXRCSA-N	274.364	1.944	10	20	CDCD	
C[C@@H](CNC(=O)NCc1ccc(N(C)C)c(F)c1)N(C)C	836620348	BXMCQNBBFGRWQU-NSHDSACASA-N	296.390	1.641	10	20	CDCD	
CN(C)c1ccc(CNCCN2CCOCC2)cc1F	733323402	ZZSXFJVHZHYBLA-UHFFFAOYSA-N	281.375	1.314	10	20	CDCD	
Cc1cc(NC(=O)COC(=O)c2cc(O)cs2)no1	731911201	FYSHTTUUAHBSSJ-UHFFFAOYSA-N	282.277	1.546	10	20	CDCD	
CN(CC(=O)OC(C)(C)C)C(=O)c1cc(O)cs1	732280979	LPRWMRUIRGBQDI-UHFFFAOYSA-N	271.338	1.867	10	20	CDCD	
O=C(O)CN(Cc1ccccc1O)C(=O)COCC1CC1	911486202	NAWPUFRCMHSSRV-UHFFFAOYSA-N	293.319	1.232	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)[C@@H]1C[C@]12CCOC2	910947869	PWXHVEFXPOEWBQ-FZMZJTMJSA-N	263.293	1.141	10	20	CDCD	
COC(=O)[C@@H]1C[C@H](O)CN(Cc2cccc(C)c2O)C1	843434111	HTSCBRAVPCBCCE-OLZOCXBDSA-N	279.336	1.056	10	20	CDCD	
C[C@@H](NC(=O)C(C)(C)C)C(=O)NCc1ccc(O)cc1O	910952769	YAUFYKQUOGQVEZ-SECBINFHSA-N	294.351	1.265	10	20	CDCD	
COC[C@@H]1CCCN1C(=O)NCCc1ccc(N)cc1	841957690	LBYDOOPGXBLGBC-AWEZNQCLSA-N	277.368	1.632	10	20	CDCD	
C[C@@H]1SCCN(C(=O)C(=O)Nc2ccc(N)cc2)[C@@H]1C	841041394	DSDPWWFXRYLSNH-ZJUUUORDSA-N	293.392	1.560	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNc1nnc(CO)o1	840883800	XWMHBOKZKQCVHT-UHFFFAOYSA-N	262.313	1.548	10	20	CDCD	
Oc1cccc(Cl)c1CN1CC(N2CC[C@@H](O)C2)C1	846067472	FZCRCPYWWMRZPV-LLVKDONJSA-N	282.771	1.296	10	20	CDCD	
COc1ccc(N(C)CC(=O)NC(=O)NCC(C)C)cc1	844353697	VTUTXCNAFWFFAW-UHFFFAOYSA-N	293.367	1.613	10	20	CDCD	
CC[C@@H](C)N(C)CCNC(=O)NCCc1ccc(N)cc1	841781406	XMIDOZIKELRWCD-CYBMUJFWSA-N	292.427	1.841	10	20	CDCD	
C[C@@H](O)CN(C(=O)NCCc1ccc(N)cc1)C1CC1	848603563	QXGIWLCDHXKNMV-LLVKDONJSA-N	277.368	1.366	10	20	CDCD	
c1cc(N2CCOCC2)ccc1CNC[C@H]1CCCN1	841035805	MQTIRZDCTIIBHA-OAHLLOKOSA-N	275.396	1.365	10	20	CDCD	
CC(C)[C@H]1CN(C(=O)C(=O)Nc2ccc(N)cc2)CCO1	841084075	WILWHZNKSUISJD-CYBMUJFWSA-N	291.351	1.091	10	20	CDCD	
COC(CNC(=O)c1ccc(CN=[N+]=[N-])o1)OC	1537963172	YEVSBWGAPAWEDH-UHFFFAOYSA-N	254.246	1.439	10	20	CDCD	
CCN1C[C@H](CNCc2ccc(N(C)C)c(F)c2)CC1=O	846092344	CRTBDDJUTCJDNE-ZDUSSCGKSA-N	293.386	1.850	10	20	CDCD	
C[C@@H](CCO)N(C)Cc1ccc(N2CCOCC2)c(F)c1	846111307	OCCIQCUAFWNDBD-ZDUSSCGKSA-N	296.386	1.865	10	20	CDCD	
CCOc1cccc(CNC[C@H](N)C(C)C)c1O	841028884	JVINXUDZLKSKAH-LBPRGKRZSA-N	252.358	1.864	10	20	CDCD	
C[C@@H](N[C@@H]1CCCN(C)C1=O)c1cc(F)cc(F)c1O	756639101	WUSJWYUKTVJSSW-PRHODGIISA-N	284.306	1.942	10	20	CDCD	
Cn1nc(C(=O)NCc2cc(Cl)ccc2O)cc1O	857548044	BCMVBKUPKHQEQJ-UHFFFAOYSA-N	281.699	1.415	10	20	CDCD	
O=C(NC1(CO)CCSCC1)c1cc(O)cs1	854913611	WGAJMAZSRODLLU-UHFFFAOYSA-N	273.379	1.442	10	20	CDCD	
C[C@H]1CCN(C(=O)c2cc(O)cs2)CC[S@]1=O	760922582	RMJVTUJBTLVCTG-WNWIJWBNSA-N	273.379	1.437	10	20	CDCD	
CNC(=O)C1CN(Cc2cc(F)c(N(C)C)cc2F)C1	862390450	XGUBWOFQBVSGRW-UHFFFAOYSA-N	283.322	1.209	10	20	CDCD	
COC[C@H]1COCCN1Cc1ccc(N(C)C)c(C)c1	933328843	DNGXGJOWWMCPFF-HNNXBMFYSA-N	278.396	1.908	10	20	CDCD	
CNC(=O)[C@@H]1CCCCN1Cc1cc(OC)ccc1O	133047929	IAQZEDRDNSQRQM-ZDUSSCGKSA-N	278.352	1.501	10	20	CDCD	
Cc1ccc(CN2CCN(CC(C)(C)O)[C@H](C)C2)c(O)c1	877460333	PLOACSGJSXMHGV-CQSZACIVSA-N	292.423	1.978	10	20	CDCD	
CNC(=O)C1(NCc2cccc(OC)c2O)CCCC1	779173148	BNMIVRKHWACYPY-UHFFFAOYSA-N	278.352	1.549	10	20	CDCD	
CN1CCN(c2ccc(CNCCC(=O)O)cc2)CC1	789899242	TWJZKNJIMBGYHV-UHFFFAOYSA-N	277.368	1.003	10	20	CDCD	
CCN(C)C(=O)[C@H](C)NCc1ccc(OC)c(OC)c1O	893964282	QEXKVNXKACFXSZ-JTQLQIEISA-N	296.367	1.366	10	20	CDCD	
COCCN(C)CCCNCc1cc(C)cc(OC)c1O	894174384	SFSHPLKIEOYYPK-UHFFFAOYSA-N	296.411	1.767	10	20	CDCD	
COc1cc(C)cc(CNC[C@@H]2COCO2)c1O	894886163	CISNLLAUNNZHBL-LLVKDONJSA-N	253.298	1.172	10	20	CDCD	
Cc1cnn(C)c1S(=O)(=O)Nc1ccc(O)cc1F	795349016	SBXIUHNEDHPDJA-UHFFFAOYSA-N	285.300	1.374	10	20	CDCD	
COC1(C(=O)NCCc2ccc(O)c(O)c2)CCCC1	754273727	FEPVWJFYJMIILP-UHFFFAOYSA-N	279.336	1.716	10	20	CDCD	
CCOc1cccc(CN[C@@H](CC)C(=O)NC)c1O	697908453	JOKJFSNMYPGLLZ-NSHDSACASA-N	266.341	1.405	10	20	CDCD	
CCc1ncoc1C(=O)NCCc1ccc(O)c(O)c1	1337137358	WMFPOXKKHBAHKQ-UHFFFAOYSA-N	276.292	1.621	10	20	CDCD	
CC(C)[C@@](C)(O)CNC(=O)NCc1ccc(N)cc1	1336290429	NQIGBFZHPFZNJL-AWEZNQCLSA-N	265.357	1.475	10	20	CDCD	
CN(C)c1ccc(CN[C@H](CCCC(=O)O)C(=O)O)cc1	1353952865	UZELVBFTHGAGNV-CYBMUJFWSA-N	294.351	1.550	10	20	CDCD	
Cc1ccc(C(=O)N(CC(=O)O)C2CC2)c(O)c1O	1600331251	QEEUZLOYQBSDHA-UHFFFAOYSA-N	265.265	1.095	10	20	CDCD	
CCc1cccc(CN2CC[C@@H](N3CCNCC3)C2)c1O	1578266392	HUXYFCXMRQNGQX-MRXNPFEDSA-N	289.423	1.434	10	20	CDCD	
COc1cccc(O)c1CNC1CCN(OC)CC1	817418781	GDXHIJRBJPJEPW-UHFFFAOYSA-N	266.341	1.516	10	20	CDCD	
C[C@H](C[C@H]1COCCN1)NCc1ccc2c(c1)CCO2	817902402	PSAJFGDHOCQEQZ-DOMZBBRYSA-N	276.380	1.478	10	20	CDCD	
Cc1ccc(CN2CCN([C@H]3CCOC3)CC2)c(O)c1	877627104	JKAZBVJGZUMEQO-HNNXBMFYSA-N	276.380	1.607	10	20	CDCD	
CC(C)(C)C(=O)NCC(=O)NCCc1ccc(N)cc1	236777592	DVWWHUFOIONVGT-UHFFFAOYSA-N	277.368	1.090	10	20	CDCD	
CCN(C)C[C@@H]1CCN(C(=O)Cc2ccc(N)cc2)C1	236872921	DSMOBXVOUPFZIQ-AWEZNQCLSA-N	275.396	1.612	10	20	CDCD	
Nc1ccc(CCNC(=O)CCCC(=O)O)cc1	169816975	BKARVSMBCZKCNK-UHFFFAOYSA-N	250.298	1.182	10	20	CDCD	
O=C1NC[C@@H]2CN(Cc3c(O)cccc3Cl)CCN12	156064730	RTUGGSBGXCEJCJ-SECBINFHSA-N	281.743	1.255	10	20	CDCD	
Cc1ccc([C@H](C)NCCNC(=O)C2CC2)c(O)c1	168734892	MZHSYOSABAENQF-NSHDSACASA-N	262.353	1.877	10	20	CDCD	
CNC[C@H]1CCCN(Cc2cc(OC)ccc2O)C1	40593301	XNAOJMZQMGPZAA-GFCCVEGCSA-N	264.369	1.832	10	20	CDCD	
O=C1CCCN1CCNCc1ccc2c(c1)CCO2	405385848	GKNCZBGKAKKPBA-UHFFFAOYSA-N	260.337	1.334	10	20	CDCD	
CN(C(=O)CCNC(=O)C(C)(C)C)c1ccc(N)cc1	702125663	MJKNDLBQSMDADE-UHFFFAOYSA-N	277.368	1.784	10	20	CDCD	
C[C@@H](CC[S@](C)=O)NCc1cc(F)cc(F)c1O	708466932	VOSGIYJJWRXMTA-ASCAZGACSA-N	277.336	1.917	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CCC[C@H]2CO)c1O	50150221	RWIRDVNQNHDTJQ-LBPRGKRZSA-N	267.300	1.691	10	20	CDCD	
CCCS(=O)(=O)NCc1ccc2c(c1)CCCN2C	58511053	XHKFACYCEMHXEC-UHFFFAOYSA-N	282.409	1.898	10	20	CDCD	
CN(C)c1ccc(CNC[C@@H]2CN3CCC[C@@H]3CO2)cc1	112839699	MHUDNJVWODOPHY-IAGOWNOFSA-N	289.423	1.705	10	20	CDCD	
OC[C@H](NCc1cc2c(cc1O)OCO2)c1ccccc1	63000771	XRNPBMAQUKGLQT-ZDUSSCGKSA-N	287.315	1.944	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2cscn2)c1	114540927	HDFIHKQLUIZRPW-UHFFFAOYSA-N	264.306	1.787	10	20	CDCD	
COCCN(Cc1ccc(N(C)C)c(F)c1)[C@H](C)C(N)=O	119917521	XIMBEVMSYUIIQC-LLVKDONJSA-N	297.374	1.214	10	20	CDCD	
O=C(NCc1ccc(N2CCOCC2)cc1)[C@H]1CCOC1	66921893	MQVFYLJQDYEAKU-AWEZNQCLSA-N	290.363	1.176	10	20	CDCD	
Oc1cc2c(cc1CN1CC[C@H](N3CCCC3)C1)OCO2	66081024	VZXSZBWFMAFHPW-ZDUSSCGKSA-N	290.363	1.791	10	20	CDCD	
O=C1CC[C@H](CNCc2cccc(Br)c2O)N1	79927004	YFLGJONZROSLCU-SECBINFHSA-N	299.168	1.523	10	20	CDCD	
C[C@H](NCc1ncn(C)n1)c1ccc(F)cc1O	186214195	CKMZANPEIGELHI-QMMMGPOBSA-N	250.277	1.511	10	20	CDCD	
CC[C@H](NCC[C@H](O)COC)c1ccccc1O	156986470	AYGOYPXRRFWQIT-AAEUAGOBSA-N	253.342	1.830	10	20	CDCD	
C[C@H](Cn1ccnc1)NC(=O)N(C)Cc1ccccc1O	47028334	IDDQKOGNNSSHIA-GFCCVEGCSA-N	288.351	1.819	10	20	CDCD	
Cc1cccc(CN2CCS(=O)(=O)C[C@@H](C)C2)c1O	192070712	AFHRVXWYWRJCGS-NSHDSACASA-N	283.393	1.567	10	20	CDCD	
COCCN(Cc1cc(C)c(C)cc1O)[C@@H](C)C(N)=O	93137971	JFQJDKXEEHFEMZ-LBPRGKRZSA-N	280.368	1.331	10	20	CDCD	
CCOCCN(C)CC(=O)NCc1ccc(N(C)C)cc1	93315559	RGYTYKODHXOMAG-UHFFFAOYSA-N	293.411	1.337	10	20	CDCD	
CCOc1cccc(CN[C@@]2(CO)CCOC2)c1O	184190284	AKEZPFXIMGSHQO-CQSZACIVSA-N	267.325	1.032	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@@H]2C[C@@]23CCOC3)c1	363806080	VMFAFXPYUSIKOQ-SWLSCSKDSA-N	277.320	1.444	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)c1	377924703	UAKVXGBXJLCYQA-VZJVUDMVSA-N	291.347	1.832	10	20	CDCD	
Oc1ccccc1CN1CCOC[C@H]1[C@H]1CCCO1	377698880	MXCOFCSOJJRKHZ-DZGCQCFKSA-N	263.337	1.772	10	20	CDCD	
Cc1ccc(O)c(CNCCC2(O)CCOCC2)c1	285398090	DZBXMJOGPFEMHW-UHFFFAOYSA-N	265.353	1.722	10	20	CDCD	
CC[C@H](N[C@@H]1COC[C@H]1O)c1ccc(N(C)C)cc1	296064970	WEYFTFIWBFTENH-RRFJBIMHSA-N	264.369	1.553	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)Cc1cnn(C)c1	808094308	JLXAJTDNDXSGOP-UHFFFAOYSA-N	294.351	1.470	10	20	CDCD	
CC(=O)C(=O)COC(=O)/C=C/c1ccc([N+](=O)[O-])cc1	808487854	JRTWIJNCOUUVIY-QPJJXVBHSA-N	277.232	1.309	10	20	CDCD	
CC[C@H](N[C@@H]1COC[C@H]1O)c1ccc(C)cc1O	295994399	PVUAAFKAZJJYQO-OUCADQQQSA-N	251.326	1.501	10	20	CDCD	
CC[C@@H](CO)N(C)Cc1ccc([N+](=O)[O-])c(OC)c1O	295209266	ZVSURKUGXYHZPT-JTQLQIEISA-N	284.312	1.512	10	20	CDCD	
O=C(NCc1ccccc1O)c1c(F)ccnc1F	816912215	OTMHJYJGNMZREJ-UHFFFAOYSA-N	264.231	1.995	10	20	CDCD	
COCCOCCOC(=O)CSc1nccs1	729094974	XLGBCUCNTQCRCP-UHFFFAOYSA-N	277.367	1.441	10	20	CDCD	
CN(C)c1ccc(CNC[C@H]2CCCN2CCCO)cc1	824559015	COUCHPVNZITKRV-QGZVFWFLSA-N	291.439	1.689	10	20	CDCD	
C[C@H]1CN(Cc2ccc(Br)cc2O)CC(=O)N1	826064530	LBFUXUNOVYWSTM-QMMMGPOBSA-N	299.168	1.475	10	20	CDCD	
NC(=O)NC[C@H]1CCCCN1C(=O)c1cc(O)cs1	825331429	NZXFRRZLBHMZJH-MRVPVSSYSA-N	283.353	1.117	10	20	CDCD	
COc1ccc(O)c(CNC(=S)NCC(F)(F)F)c1	733906513	MKUWLMCZFRPTDP-UHFFFAOYSA-N	294.298	1.927	10	20	CDCD	
COC[C@]1(CO)CCN(Cc2c(O)cccc2Cl)C1	825158406	KPTGJQZGKLZNSQ-CQSZACIVSA-N	285.771	1.876	10	20	CDCD	
COc1cc(O)c(CN2CC[C@@H](CCN)C2)cc1OC	904405646	MBMXTOTWLFGKNK-LLVKDONJSA-N	280.368	1.580	10	20	CDCD	
COc1ccc(C(=O)NCc2ccccc2O)nn1	738513077	GLMUTSWRRXJBPZ-UHFFFAOYSA-N	259.265	1.121	10	20	CDCD	
COc1ccc(CNC(=O)[C@]2(C)CCCCO2)c(O)c1	837591363	DMAHGLAUTVNIRN-HNNXBMFYSA-N	279.336	1.976	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)Cc2nonc2C)c1	845834110	QVAZVQHCQSXUOI-MRVPVSSYSA-N	291.307	1.512	10	20	CDCD	
CC[C@H](C(=O)O)C(=O)NCc1cccc(OC)c1O	911336125	AIAZFBJJKUMTEG-VIFPVBQESA-N	267.281	1.128	10	20	CDCD	
O=C(O)CCC(=O)NCCCSc1nccs1	842648717	ZPWXRAYCBZTWTL-UHFFFAOYSA-N	274.367	1.606	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NC2(C)CCNCC2)cc1	841655254	RBDJTAGFFLAYQM-UHFFFAOYSA-N	290.411	1.694	10	20	CDCD	
Cc1ccc(C(=O)NN2CCCC[C@@H]2C)c(O)c1O	912143382	ATCKUVBBGIXCNS-JTQLQIEISA-N	264.325	1.925	10	20	CDCD	
C[C@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)CC[C@H]1N	841651906	CETIWNJFLMYEFR-SWLSCSKDSA-N	290.411	1.631	10	20	CDCD	
CN1CCC(NC[C@@H](N)c2ccc(N(C)C)cc2)CC1	841045857	ROAIOGWVLHLGFL-MRXNPFEDSA-N	276.428	1.436	10	20	CDCD	
CN(C)c1ccc([C@@H](N)CNCC[C@@H]2CCOC2)cc1	841042100	KFCPNVIJBLEJAT-CJNGLKHVSA-N	277.412	1.769	10	20	CDCD	
C[C@@H](Cc1cnc[nH]1)C(=O)N(C)Cc1ccccc1O	847569626	GGDMOJBLYIMRRE-NSHDSACASA-N	273.336	1.953	10	20	CDCD	
CCc1cc(C(=O)NCc2ccccc2O)c(C)nn1	759957395	DMXATHVWYZZWTM-UHFFFAOYSA-N	271.320	1.983	10	20	CDCD	
O=C(NCc1ccccc1O)NCc1ncccc1F	752659656	OEVBZLXZKASNBH-UHFFFAOYSA-N	275.283	1.926	10	20	CDCD	
Cc1cc(CN(C)C[C@@H]2COCCO2)ccc1N(C)C	852498455	ICUGDTIVPKORBO-OAHLLOKOSA-N	278.396	1.908	10	20	CDCD	
O=[N+]([O-])c1cc(Cl)cc(CN[C@H]2C[C@@H](CO)C2)c1O	865663510	YGJBTOZMIBFIQJ-WKFQBHICSA-N	286.715	1.814	10	20	CDCD	
OCCN(CCO)Cc1ccc(N2CCCCC2)cc1	862429379	FOAAPIQMBNYOBA-UHFFFAOYSA-N	278.396	1.464	10	20	CDCD	
C[C@H](O)CN(C)Cc1ccc(N2CCC(O)CC2)cc1	877320715	RTHSIKBEDVAKPC-ZDUSSCGKSA-N	278.396	1.460	10	20	CDCD	
COC(=O)[C@@H]1C[C@H](O)CN(Cc2ccc(C)cc2O)C1	877607395	AFBYTGAUMAIYEL-OLZOCXBDSA-N	279.336	1.056	10	20	CDCD	
COc1cccc(O)c1CN(C)C[C@H]1CCC[C@H]1O	770292672	OFFHJPKFARRJGN-DGCLKSJQSA-N	265.353	1.994	10	20	CDCD	
Cc1cccc(O)c1CN1C[C@@H](N2CCOCC2)C[C@@H]1C	877516017	ARWSHCVQAOHUAI-GJZGRUSLSA-N	290.407	1.996	10	20	CDCD	
OC[C@H]1CSCCN1Cc1cc(F)ccc1O	877780322	MVZYZULURRXOGH-NSHDSACASA-N	257.330	1.441	10	20	CDCD	
Cc1cccc(O)c1CN1C[C@@H](N2CCOCC2)C[C@H]1C	877516016	ARWSHCVQAOHUAI-CABCVRRESA-N	290.407	1.996	10	20	CDCD	
COC(=O)[C@@H]1CCN(Cc2cc(F)ccc2O)[C@H]1C	787422029	XSOPCUOZIJXTHP-JOYOIKCWSA-N	267.300	1.915	10	20	CDCD	
CC1(C)CNC(=O)CN1Cc1cc(F)cc(F)c1O	894673774	ZTTSTZIJONKFPH-UHFFFAOYSA-N	270.279	1.381	10	20	CDCD	
COc1ccc(CN(C)CC(=O)NC(C)C)c(O)c1OC	891513771	OJAGOLITDRSPOM-UHFFFAOYSA-N	296.367	1.366	10	20	CDCD	
CO[C@H]1CN(Cc2cc(C)c(C)cc2O)CCO1	895969076	WMKHDCLEKXIXBV-CQSZACIVSA-N	251.326	1.814	10	20	CDCD	
COCc1cc(NCc2cccc(OC)c2O)ncn1	782136708	WQFDOGQBTGZAJW-UHFFFAOYSA-N	275.308	1.949	10	20	CDCD	
COc1cc(C)cc(CN[C@@H](CCO)C2CC2)c1O	894295720	JEXABEVKRLODMD-ZDUSSCGKSA-N	265.353	1.960	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H]2COC[C@H]2C)c1O	896734817	XJTLVXUOKJSEHM-PSASIEDQSA-N	282.296	1.434	10	20	CDCD	
COc1cc(N(C)C[C@@H](C)O)c([N+](=O)[O-])cc1OC	214230385	KDRIFOHUVMFRKE-MRVPVSSYSA-N	270.285	1.429	10	20	CDCD	
COC(=O)c1sc2nc(C)cc(C(=O)OC)c2c1N	409438601	DGZAYKMCSKSXIX-UHFFFAOYSA-N	280.305	1.760	10	20	CDCD	
Cc1ccc(CN2CC[C@@H](C3OCCO3)C2)c(O)c1	896377278	HNISUMBLLCNFQU-CYBMUJFWSA-N	263.337	1.895	10	20	CDCD	
COc1ccc(CNC(=O)COC[C@@H]2CCCO2)c(O)c1	794383482	PEECYNKAMCVOIR-ZDUSSCGKSA-N	295.335	1.213	10	20	CDCD	
CNC[C@H](C)NCc1ccc(N2CCN(C)CC2)c(F)c1	1333692306	JUBPGRJMMHDNKQ-ZDUSSCGKSA-N	294.418	1.275	10	20	CDCD	
C=CC(=O)NC1CCN(c2ccc(OC)cc2)CC1	1262555559	XZQJBNIPOXSQJI-UHFFFAOYSA-N	260.337	1.966	10	20	CDCD	
CC(C)C1CN(C(=O)C(=O)N(C)Cc2ccccc2O)C1	1344960339	XIWUULAINXBMNP-UHFFFAOYSA-N	290.363	1.465	10	20	CDCD	
NC(=O)N=Nc1ccc(C(=O)N[C@@H](CCF)C(=O)O)cc1	1601155564	KGTNOMUMBBDWOD-VIFPVBQESA-N	296.258	1.392	10	20	CDCD	
Nc1ccc(CN2CC[C@H](n3cc(C(=O)O)nn3)C2)cc1	1608272772	LAOKTVUGWSITIY-LBPRGKRZSA-N	287.323	1.006	10	20	CDCD	
Cc1ccc(CN2CC[C@]3(CC(C(=O)O)=NO3)C2)c(O)c1	1607780589	KJMSNIZPQJADSW-HNNXBMFYSA-N	290.319	1.506	10	20	CDCD	
O=C(CCNCc1cc(Cl)ccc1O)N1CCOCC1	134492966	VEYDRKOAGWGXFZ-UHFFFAOYSA-N	298.770	1.384	10	20	CDCD	
CN[C@@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1	1578598775	WAAINXJNLDWFSM-GFCCVEGCSA-N	289.339	1.673	10	20	CDCD	
O=C(O)[C@H]1CCCN(Cc2cc3c(cc2O)OC[C@H]3O)C1	1595197004	KKYGMYDNUMYGFQ-TVQRCGJNSA-N	293.319	1.115	10	20	CDCD	
Oc1cc2c(cc1CN1CCn3cnnc3C1)CCCC2	160180293	ZNHMMSYQBVBNHE-UHFFFAOYSA-N	284.363	1.878	10	20	CDCD	
O=C1C[C@H](CNCc2ccc3c(c2)CCCO3)CN1	922185161	ZICYFFBJUVXORP-GFCCVEGCSA-N	260.337	1.237	10	20	CDCD	
Nc1ccc(NC(=O)NCCOC[C@H]2CCCO2)cc1	841301019	ZOJWQPQPNPILBR-CYBMUJFWSA-N	279.340	1.586	10	20	CDCD	
COCCOC[C@@H](O)CN(C)c1ccc(OC)cc1	844354665	FXFZAONKUDADQR-ZDUSSCGKSA-N	269.341	1.155	10	20	CDCD	
C[C@H](NCC(=O)NC1CC1)c1ccc(N(C)C)cc1	37262885	RTDRJRWXNQDDAQ-NSHDSACASA-N	261.369	1.682	10	20	CDCD	
CNC(=O)C(C)(C)CN[C@@H](C)c1ccc(F)cc1O	186223646	LXDWXCRDTSHQRT-VIFPVBQESA-N	268.332	1.954	10	20	CDCD	
C[C@@H](NC[C@@H]1CCC(=O)N1)c1ccc(N(C)C)cc1	79927448	DFIDABGVKULCFD-YPMHNXCESA-N	261.369	1.682	10	20	CDCD	
CNC(=O)C[C@H](C)N[C@@H](C)c1cc(C)ccc1O	322730769	VJBSFWGHVAODHH-QWRGUYRKSA-N	250.342	1.876	10	20	CDCD	
CC(=O)N1CCN(Cc2cc(F)cc(F)c2O)CC1	708400274	OHWZIDPPXPMFCH-UHFFFAOYSA-N	270.279	1.335	10	20	CDCD	
C[C@@H](NC[C@H](O)CN(C)C)c1ccc(F)cc1O	717368889	ULRXMHIKVKZHEE-KOLCDFICSA-N	256.321	1.104	10	20	CDCD	
Cn1nnc(CNCc2cc(Cl)cc(Cl)c2O)n1	398076006	KSVISMUMWQJTBE-UHFFFAOYSA-N	288.138	1.512	10	20	CDCD	
OCCN(CCOCC(F)(F)F)Cc1ccccc1O	179573466	VAGKTHUYBRDFDQ-UHFFFAOYSA-N	293.285	1.765	10	20	CDCD	
CCN(C)c1ccc([C@H](C)NC[C@@H](O)CN(C)C)cc1	305115044	HOWWSFCEDZKQQC-XJKSGUPXSA-N	279.428	1.716	10	20	CDCD	
CCNC(=O)NC(=O)CN(C)c1ccc(OC)c(F)c1	121775337	VAPDLDFIXOTJIB-UHFFFAOYSA-N	283.303	1.116	10	20	CDCD	
Cc1ccc(C(=O)N2CCCC[C@H]2CN(C)C)c(O)c1O	179480090	SJQBZOQMOKAUMN-LBPRGKRZSA-N	292.379	1.963	10	20	CDCD	
C[C@H](OC[C@H]1CCCO1)C(=O)N(C)Cc1ccccc1O	70822457	DZYMRBYGIJHRFK-GXTWGEPZSA-N	293.363	1.935	10	20	CDCD	
CC(=O)CCCC(=O)NCCc1ccc(O)c(O)c1	184959967	MIDDFQHUCYDFRP-UHFFFAOYSA-N	265.309	1.516	10	20	CDCD	
COc1ccc(O)c([C@H](C)N[C@@H]2CC(=O)N(C3CC3)C2)c1	186088541	JIFLUXBPHOYLDW-WDEREUQCSA-N	290.363	1.815	10	20	CDCD	
CNC(=O)[C@@H]1CCCN(Cc2cc(OC)ccc2O)C1	180219476	MHZMQPBLDSWFMU-LLVKDONJSA-N	278.352	1.359	10	20	CDCD	
C[C@H](N)[C@H](C)C(=O)N1CCOc2cc(N(C)C)ccc21	192124457	DFQBCRJBBXOKLG-QWRGUYRKSA-N	277.368	1.461	10	20	CDCD	
C[C@H](NCC(C)(C)O)c1cc([N+](=O)[O-])ccc1O	273611468	WEERSVSTYFOGDV-QMMMGPOBSA-N	254.286	1.722	10	20	CDCD	
C[C@@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1O)c1ncn(C)n1	275647300	DDFOKBLTOCGMBX-RKDXNWHRSA-N	291.311	1.841	10	20	CDCD	
CNC(=O)N1CCN(Cc2ccc(N(C)C)c(F)c2)CC1	271205389	ZNZXBTFYBDDTMH-UHFFFAOYSA-N	294.374	1.349	10	20	CDCD	
CC(C)[C@H](C(=O)N[C@H](C)Cc1ccc(O)c(O)c1)N(C)C	274962688	UGOBLHYRKMKWMA-IAQYHMDHSA-N	294.395	1.731	10	20	CDCD	
COc1cc(O)c(CNCC[C@H](C)CCO)cc1OC	295025876	CRVDFWSOVVBFKM-NSHDSACASA-N	283.368	1.908	10	20	CDCD	
N[C@@H]1C[C@@H]1C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	818208481	ISNMWWWSYMWJHT-MELADBBJSA-N	290.363	1.247	10	20	CDCD	
COCCC1(C)CN(C(=O)c2cc(O)cs2)C1	811581907	USXCTXJXJUXCLN-UHFFFAOYSA-N	255.339	1.952	10	20	CDCD	
Nc1ccc(CC(=O)NCc2nc(C3CC3)no2)cc1	827837382	FYSXMPRVZGHZNR-UHFFFAOYSA-N	272.308	1.388	10	20	CDCD	
Cc1ccc(C(=O)N2CCC[C@@H]2C(=O)O)c(O)c1O	821063952	JFPHMYZKAOBGKY-SECBINFHSA-N	265.265	1.095	10	20	CDCD	
CN(Cc1cc(F)ccc1O)C1(CO)CCOCC1	827909979	ZZPNIGGFVRCWAR-UHFFFAOYSA-N	269.316	1.505	10	20	CDCD	
COc1cc(O)c(CNCCC2(CO)CC2)cc1OC	825040560	NLTAXCQJJQVSID-UHFFFAOYSA-N	281.352	1.662	10	20	CDCD	
C[C@@H]1C[C@@H](NC(=O)NCCc2ccc(N)cc2)CO1	831178144	KDXXCZDKIBMOLY-ZWNOBZJWSA-N	263.341	1.288	10	20	CDCD	
Cc1nc(/C=C2/SC(N3CCOCC3)=NC2=O)[nH]c1C	901441427	BGKJQOVYWGBPPH-JXMROGBWSA-N	292.364	1.329	10	20	CDCD	
O=C(NCc1ccccc1O)c1ccnc(-n2ccnc2)c1	748345386	BFVIRNJENPYINO-UHFFFAOYSA-N	294.314	1.903	10	20	CDCD	
CC(=O)OC(C)(C)C(=O)NCc1ccc(O)cc1O	910947318	CYZPQPVARRKVTE-UHFFFAOYSA-N	267.281	1.056	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)N[C@H](CN)C1CC1	841946750	KWUFZJONXRLOKP-GFCCVEGCSA-N	263.341	1.271	10	20	CDCD	
COc1cccc(CN[C@@H]2CCCNCC2)c1O	841057456	KUZUEEUKRSHBMY-GFCCVEGCSA-N	250.342	1.633	10	20	CDCD	
NC[C@@H]1CN(Cc2c(O)ccc(Cl)c2F)CCO1	843065786	PPADHISGXZOORY-MRVPVSSYSA-N	274.723	1.344	10	20	CDCD	
CCOc1ccc(CN=c2nc(C)[nH]n2CC)c(O)c1	840887214	IGAMFAUJWROXIN-UHFFFAOYSA-N	276.340	1.745	10	20	CDCD	
CC(C)C(=O)N(CC(=O)O)Cc1ccccc1O	911485286	VOEMIAIMJQGYLY-UHFFFAOYSA-N	251.282	1.461	10	20	CDCD	
CNC(=O)NC1CCN(Cc2cc(C)ccc2O)CC1	840974378	IBLVNUZGTADUOI-UHFFFAOYSA-N	277.368	1.594	10	20	CDCD	
COC(=O)[C@@H]1CN(Cc2cc(C)c(C)cc2O)C[C@H](C)O1	844738329	XJVOBBNGLAZIMN-WFASDCNBSA-N	293.363	1.771	10	20	CDCD	
Cc1nc([C@H](C)OC(=O)c2cc(O)cs2)n[nH]1	840228274	OEWWNRVFMUDLOD-YFKPBYRVSA-N	253.283	1.798	10	20	CDCD	
C[C@H](CN)CNC(=O)NCc1ccc(N(C)C)c(F)c1	841761174	NNUMBQRCXYHHGA-SNVBAGLBSA-N	282.363	1.286	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CC[C@@H]([C@H](C)N)C2)c1O	843364495	KNZFKTGZVKDVHZ-GXSJLCMTSA-N	280.343	1.903	10	20	CDCD	
C[C@@H](N[C@H]1C[C@H](O)C1)c1ccc(N2CCOCC2)c(F)c1	850577866	DTRYDYYKFZMENX-MRVWCRGKSA-N	294.370	1.836	10	20	CDCD	
N[C@@]12CCC[C@@H]1CN(Cc1cc(F)ccc1O)C2	857226572	RQWLKAKLISWQHU-BXUZGUMPSA-N	250.317	1.845	10	20	CDCD	
Cc1nn(C)c(C)c1NC(=O)CN(C)c1ccc(N)cc1	863558423	HXBJIXHWRLOBQZ-UHFFFAOYSA-N	287.367	1.694	10	20	CDCD	
CC[C@@](C)(O)C(=O)NCc1ccc(N2CCOCC2)cc1	930518560	ARFMFQFKTPDASW-MRXNPFEDSA-N	292.379	1.300	10	20	CDCD	
CN(CC(=O)NCc1ccccc1O)[C@H]1CCSC1	764068023	KPXRKAJFZFSGCZ-LBPRGKRZSA-N	280.393	1.446	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CCCNC2=O)c1	866762967	ASYPJDZXOFLFQV-ONGXEEELSA-N	292.335	1.104	10	20	CDCD	
CCc1ccc(/C=C2/SC(=S)N(CC(N)=O)C2=O)o1	760214948	DAYRSZQRRGBBMA-WEVVVXLNSA-N	296.373	1.529	10	20	CDCD	
Cc1cccc(O)c1CN1CCC2(CC1)COC(=O)N2	877313050	PQOPTYLVWYAEGL-UHFFFAOYSA-N	276.336	1.775	10	20	CDCD	
O=C1CN(Cc2c(O)ccc3ccncc23)CCCN1	872825074	JXFQATCMAMGCSS-UHFFFAOYSA-N	271.320	1.262	10	20	CDCD	
CCCN(CC(=O)N=S(C)(C)=O)Cc1ccccc1O	878152051	UQRINRPTGVWBLK-UHFFFAOYSA-N	298.408	1.858	10	20	CDCD	
O=C(OCC(=O)N1CCCCC1)c1cccc(O)c1O	776281530	GSDNYYUVNLVKGR-UHFFFAOYSA-N	279.292	1.267	10	20	CDCD	
CNC(=O)CCCCC(=O)N(C)c1ccc(N)cc1	877075240	BCELVMCJFNRXNS-UHFFFAOYSA-N	263.341	1.538	10	20	CDCD	
COc1cc(CN2CC[C@@H](n3cncn3)C2)c(O)cc1C	776776651	SGJSVHBDUURPNL-CYBMUJFWSA-N	288.351	1.748	10	20	CDCD	
CCOc1ccc(N2CCN(CC[N+](=O)[O-])CC2)cc1	1119690456	ONORWLRPBLCQAF-UHFFFAOYSA-N	279.340	1.484	10	20	CDCD	
C[C@@H](N[C@H](C)c1c(O)cccc1F)C(=O)NCCF	886606641	CMIWQQGQTYUWJP-RKDXNWHRSA-N	272.295	1.656	10	20	CDCD	
CC[C@@]1(O)CCN(c2cc(OC)c(OC)cc2[N+](=O)[O-])C1	777840466	WYHGKXJAKSQTTK-CQSZACIVSA-N	296.323	1.963	10	20	CDCD	
COCC[C@@H](N)C(=O)NCc1ccc(N(C)C)cc1C	884222830	BNLGNUCANMPYCF-CQSZACIVSA-N	279.384	1.041	10	20	CDCD	
CCOc1cccc(CNC(C)(C)C(=O)O)c1O	77253813	XHYXZUNFNDZMRH-UHFFFAOYSA-N	253.298	1.744	10	20	CDCD	
CCOc1ccc(O)c(CN2C[C@@H](C)[C@@H](O)C2)c1	897684689	VEXIDDYYVOLFPN-YGRLFVJLSA-N	251.326	1.604	10	20	CDCD	
COCCN(C)Cc1ccc(OC)c(OC)c1O	891573384	DODCXPRSHMNDQF-UHFFFAOYSA-N	255.314	1.488	10	20	CDCD	
COCC1CN(Cc2ccc(OC)c(OC)c2O)C1	895976020	KGYCKQHEUOKZQO-UHFFFAOYSA-N	267.325	1.488	10	20	CDCD	
CC[C@@H]1CN(Cc2ccc(OC)c(OC)c2O)C[C@H]1O	892242297	PPCKTEROVREHOT-ZYHUDNBSSA-N	281.352	1.612	10	20	CDCD	
CC[C@@H](O)CN1CCOc2cc(N(C)C)ccc21	305757822	BVQJPXKYQKVJLZ-GFCCVEGCSA-N	250.342	1.722	10	20	CDCD	
COC(=O)N(C)CCN[C@H](C)c1cc(OC)ccc1O	689524409	DWKYDXCPOMZSCY-SNVBAGLBSA-N	282.340	1.750	10	20	CDCD	
Cc1n[nH]c(C)c1CNC(=O)c1cccc(O)c1O	718311513	SVNZTSUUNHLNPE-UHFFFAOYSA-N	261.281	1.368	10	20	CDCD	
Nc1ccc(Cc2noc(CO[C@H]3CCOC3)n2)cc1	1327005581	RVJSDRRCAUIIAN-LBPRGKRZSA-N	275.308	1.548	10	20	CDCD	
C[C@H](O)C1CN(C(=O)c2cc3cc(O)c(O)cc3s2)C1	1263884034	YGMMKWTZKGNROT-ZETCQYMHSA-N	293.344	1.765	10	20	CDCD	
C[C@@H](CN)N(C)Cc1ccc(N2CCN(C)CC2)c(F)c1	1345944915	WQATUFIOKTWMBP-ZDUSSCGKSA-N	294.418	1.357	10	20	CDCD	
CC[C@H](NCc1cc(C)cc(OC)c1O)C(=O)O	1603959353	CKXREMGGHKYLPR-JTQLQIEISA-N	253.298	1.662	10	20	CDCD	
CCCN(C[C@@H](N)CCOC)c1ccc(CN)cc1	1577507270	LNBNKMRSDHHRTG-AWEZNQCLSA-N	265.401	1.726	10	20	CDCD	
Clc1cnc(Sc2cncc(-c3nn[nH]n3)n2)s1	1581745936	XGHAXFSPGMIMCS-UHFFFAOYSA-N	297.756	1.918	10	20	CDCD	
C[C@H](NCCn1cccn1)c1cccc(-c2nn[nH]n2)c1O	1589965596	LSBZWJWNPOKCPK-JTQLQIEISA-N	299.338	1.120	10	20	CDCD	
O=C1NC(=S)S/C1=C/c1ccc(C(=O)O)nc1	1777698853	CAFPZCDCAUDRLR-XVNBXDOJSA-N	266.303	1.269	10	20	CDCD	
CCCOc1ccc(CNc2ncnn2C)c(O)c1	162143117	CTBZAXSMKGTQPY-UHFFFAOYSA-N	262.313	1.922	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@H]2CCn3ccnc3C2)cc1	155834985	SVKLSMKTLSRSHC-CQSZACIVSA-N	298.390	1.828	10	20	CDCD	
C[C@@H](O)C[C@H]1CCCCN1C(=O)c1cccc(O)c1O	126644786	FBUNEXTZTWHNLG-GHMZBOCLSA-N	279.336	1.863	10	20	CDCD	
CCOC[C@H](O)CNc1ccccc1OCCOC	819428134	XBCMXERMXIRHHE-GFCCVEGCSA-N	269.341	1.521	10	20	CDCD	
CCCCN(CC(N)=O)Cc1ccc(C)cc1O	876616639	QQDKZGVUNICTEB-UHFFFAOYSA-N	250.342	1.788	10	20	CDCD	
C[C@@H](NCCN1CCCS1(=O)=O)c1ccccc1O	405362106	FOVQYTXLINZWLN-LLVKDONJSA-N	284.381	1.078	10	20	CDCD	
CC(C)C1(O)CCN(C(=O)c2cccc(O)c2O)CC1	710592177	SDWADGFGGCHJFM-UHFFFAOYSA-N	279.336	1.721	10	20	CDCD	
C[C@@H](C[S@](C)=O)N(C)Cc1cc2c(cc1O)OCO2	131016217	TVAOGNJOCVOOGP-ZRNGKTOUSA-N	285.365	1.320	10	20	CDCD	
CC(C)CN1CC(=O)N[C@@H]1c1ccc(O)c(O)c1	77474094	OPCDSXQOHWXXCJ-ZDUSSCGKSA-N	250.298	1.184	10	20	CDCD	
Cc1ccc(O)c([C@@H](C)NCCCN2CCN(C)CC2)c1	35628823	AVNHYHJETDHXTC-OAHLLOKOSA-N	291.439	1.989	10	20	CDCD	
Cc1cc(Cl)cc(CN2C[C@@H](C(N)=O)O[C@H](C)C2)c1O	180726983	HTIKETYDZDXWSW-SKDRFNHKSA-N	298.770	1.429	10	20	CDCD	
COC[C@H](CNCc1cccc(Cl)c1O)OC	227717430	DTCDMDPXHRTDIX-JTQLQIEISA-N	259.733	1.797	10	20	CDCD	
Cc1ccc(O)c(CN2CCC[C@]23CCOC3=O)c1	190043838	AGKUMGXASHRBEG-OAHLLOKOSA-N	261.321	1.982	10	20	CDCD	
Cc1cccc(CN2CC[C@@H](C)S(=O)(=O)CC2)c1O	192052164	CNFVCQIRSXTEQC-GFCCVEGCSA-N	283.393	1.710	10	20	CDCD	
C[C@H](N[C@@H]1CCCCNC1=O)c1ccc(F)c(F)c1O	191198259	JMBXHSXEBFYKIB-GZMMTYOYSA-N	284.306	1.990	10	20	CDCD	
COCCN1CCN(Cc2cccc(C)c2O)CC1	179641214	JZGTUFAZICAZFL-UHFFFAOYSA-N	264.369	1.465	10	20	CDCD	
CCCCN(C)CCNC(=O)Cc1ccc(N)cc1	236712056	QXJWOHPHQCCHRZ-UHFFFAOYSA-N	263.385	1.659	10	20	CDCD	
COC[C@H](NCc1cc(F)ccc1O)[C@H]1CCCO1	279347686	FXOYMJGXNCWNFZ-GXTWGEPZSA-N	269.316	1.815	10	20	CDCD	
COC[C@H](CN[C@@H](C)c1ccc(F)c(F)c1O)OC	276916062	LQYIRUMNELVJOQ-IUCAKERBSA-N	275.295	1.982	10	20	CDCD	
CS(=O)(=O)C1(CNCc2ccccc2O)CCCC1	285567701	TVCREAWKQALRNU-UHFFFAOYSA-N	283.393	1.839	10	20	CDCD	
CCOc1ccc(CN[C@H](CC)C(=O)O)c(O)c1	818240091	TUDUEUZOHJAIQZ-LLVKDONJSA-N	253.298	1.744	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@@H]2CCN[C@@H](C)C2)c1	817970870	GNAFJKRNKBGUPO-GMXVVIOVSA-N	292.379	1.970	10	20	CDCD	
Oc1cc(F)c(Cl)cc1CN1CCc2nn[nH]c2C1	827876686	AYYSUKDFJPTOEV-UHFFFAOYSA-N	282.706	1.861	10	20	CDCD	
COc1cccc(O)c1CN1CC[C@H]2NC(=O)CC[C@H]2C1	827141808	YCSDTELEKDGMIF-WCQYABFASA-N	290.363	1.501	10	20	CDCD	
Nc1ccc(NC(=O)N[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)cc1	904499023	ADOHMSPFQMGNBY-FHUSYTEZSA-N	259.309	1.566	10	20	CDCD	
NC1CC(NCc2cc(Br)ccc2O)C1	906510089	MLBGLUVHLSUEGE-UHFFFAOYSA-N	271.158	1.734	10	20	CDCD	
CN(C)c1ccc(CN[C@H]2C[C@@H]3CCCCN3C2=O)cc1	835075356	WYOZNEARKHWDAX-HOTGVXAUSA-N	287.407	1.996	10	20	CDCD	
COc1cccc([C@H](C)N[C@@H]2CCN(C)C2)c1O	846143220	CTPXOLGUWCCVMB-WDEREUQCSA-N	250.342	1.756	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@H]1CCCN1	841828105	QZQFEZHJVTUQCQ-AWEZNQCLSA-N	290.411	1.612	10	20	CDCD	
COC(=O)c1ccc(/C=C2\SC(=S)NC2=O)[nH]1	748440789	NJSMSVAZVKOBEJ-DAXSKMNVSA-N	268.319	1.290	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)O[C@H]1CCOC1	914207113	HXZAKAYDZPVACQ-LBPRGKRZSA-N	292.335	1.877	10	20	CDCD	
COc1cccc(CNC(=O)NCC2CCNCC2)c1O	841923267	ACCXTIZBELIRJX-UHFFFAOYSA-N	293.367	1.200	10	20	CDCD	
CCCCN(Cc1ccccc1O)C(=O)NCC1CNC1	841965575	YDIQDKQBHRDMDY-UHFFFAOYSA-N	291.395	1.923	10	20	CDCD	
COc1cccc(CN[C@@H]2CCN(CC(F)F)C2)c1O	841893436	FBKODBXWSFMVPG-LLVKDONJSA-N	286.322	1.830	10	20	CDCD	
CCN(C(=O)/C=C\c1cnn(C)c1)c1cnn(C)c1	848342512	NKDIPNXAVWOUNF-WAYWQWQTSA-N	259.313	1.220	10	20	CDCD	
CN(CC1(O)CCCC1)C(=O)c1cc(O)cs1	752658610	DHXQHHLBPYEEHW-UHFFFAOYSA-N	255.339	1.831	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCOC(=O)N1	858199128	BKYXDVRDLXOPSB-ZDUSSCGKSA-N	291.351	1.210	10	20	CDCD	
COc1ccc(O)c([C@H](C)N[C@@H]2COC[C@H]2OC)c1	842908477	CJVGDUOKCVJHBI-MRCXROJRSA-N	267.325	1.465	10	20	CDCD	
C[C@@H](N[C@@H]1COC[C@@H]1O)c1ccc(Cl)cc1O	866420562	PNFUXXMTUGXDER-XXFPWJFMSA-N	257.717	1.456	10	20	CDCD	
CC(F)(F)CCS(=O)(=O)NCc1ccccc1O	866829529	IVNKRIYUCUDUCK-UHFFFAOYSA-N	279.308	1.857	10	20	CDCD	
COc1cccc(O)c1CN1CCC2(CC1)OCCO2	768240332	UENMZZXCLRQJJB-UHFFFAOYSA-N	279.336	1.740	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@]1(C)CCNC1=O	873860732	WHPIIVOTDBMVDL-INIZCTEOSA-N	289.379	1.237	10	20	CDCD	
Cc1ccc(CN[C@]2(CCO)CCOC2)c(O)c1	877481941	YBFCQAZYOVKLCE-CQSZACIVSA-N	251.326	1.332	10	20	CDCD	
OC1CCN(c2ccc(CNCCOCCF)cc2)CC1	877643327	HSULLIHIXHBDPK-UHFFFAOYSA-N	296.386	1.723	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)C(=O)NC[C@@H]1C=CCC1	1119569910	CBXCQWHRFDVIEF-GFCCVEGCSA-N	288.347	1.433	10	20	CDCD	
Cc1ccc(CN2CCC[C@H](CC(N)=O)C2)c(O)c1	876782207	UUZSTWCEKQDAPV-GFCCVEGCSA-N	262.353	1.788	10	20	CDCD	
CCC1(C(=O)NCc2ccc(O)c(O)c2)COC1	778919646	IDMCXJLPJOHBKF-UHFFFAOYSA-N	251.282	1.141	10	20	CDCD	
Cc1cccc(O)c1CN(CCS(C)(=O)=O)C1CC1	876783720	LDANWHDBMVMXRL-UHFFFAOYSA-N	283.393	1.710	10	20	CDCD	
C[C@H](N[C@H](C)[C@@H]1CN(C)CCO1)c1c(O)cccc1F	886553475	OCHASPXSWXXPQV-SUNKGSAMSA-N	282.359	1.901	10	20	CDCD	
CC[C@H](OC)C(=O)OCC(=O)c1ccc(O)c(O)c1	783263094	GGRFEOLZISXGQP-LBPRGKRZSA-N	268.265	1.249	10	20	CDCD	
COCCN1CC[C@@H](NCc2cccc(C)c2O)C1	271805873	JWAOUXAWSLIFSD-CQSZACIVSA-N	264.369	1.511	10	20	CDCD	
COc1cc(C)cc(CN[C@](C)(CO)C2CC2)c1O	894399767	JGVPMSYYBZPHGR-OAHLLOKOSA-N	265.353	1.960	10	20	CDCD	
CC[C@H](CN1CCOCC1)NCc1ccc(C)cc1O	896616990	HAODWQMJIAGWNE-OAHLLOKOSA-N	278.396	1.901	10	20	CDCD	
COCCCN(C)CCNCc1cc(C)cc(OC)c1O	894314338	AXSMIDPAIYRUKA-UHFFFAOYSA-N	296.411	1.767	10	20	CDCD	
CC[C@@H](NC[C@]1(O)CCN(C)C1)c1ccc(F)cc1O	796936124	DSRVMCVTWIXOSM-UKRRQHHQSA-N	282.359	1.639	10	20	CDCD	
CCOc1ccc(CN2CC[C@@](C)(C(N)=O)C2)c(O)c1	793389632	KWGPQQVQIJWTLX-OAHLLOKOSA-N	278.352	1.488	10	20	CDCD	
CN(C)C(=O)OCCOc1ccc(N(C)C)cc1	1323879976	OTLJXDBCQRUIFD-UHFFFAOYSA-N	252.314	1.830	10	20	CDCD	
CCC[C@@H](O)CNC(=O)NCc1ccc(N)cc1	1336290364	LRSTWBNHFMJYJA-GFCCVEGCSA-N	251.330	1.229	10	20	CDCD	
COc1ccc(CN2C[C@@H]3CCN(C)[C@@H]3C2)c(O)c1OC	1262372134	HIBDOOKGKIIJRB-WCQYABFASA-N	292.379	1.545	10	20	CDCD	
O=C(O)[C@H](NCc1ccccc1O)[C@@H]1CCCOC1	1350610111	DCNAAYIRTQZUJC-DGCLKSJQSA-N	265.309	1.362	10	20	CDCD	
Cn1nc(C(=O)NCc2cccc(O)c2O)cc1C1CC1	1521852438	VVRUUKMDRQUSQI-UHFFFAOYSA-N	287.319	1.639	10	20	CDCD	
C[C@H](NCC1(O)CCC1)c1cc(C(=O)O)ccc1O	1609781212	WVDLRQRJTZFCCL-VIFPVBQESA-N	265.309	1.656	10	20	CDCD	
COc1ccc(O)c(CN[C@H](C)[C@H]2C[C@H]2C(=O)O)c1	1599598990	YQDKYGYXTATHHQ-GGZOMVNGSA-N	265.309	1.600	10	20	CDCD	
CN1CCC[C@H](CCNC(=O)c2cccc(O)c2O)C1	838149076	VZBDGKVXTHQZNJ-LLVKDONJSA-N	278.352	1.560	10	20	CDCD	
CCNC(=O)CN(CC)Cc1ccc(C)cc1O	876545259	KUCDCUHPKXPRIG-UHFFFAOYSA-N	250.342	1.659	10	20	CDCD	
Cc1cccc(O)c1CN[C@H](CO)C[C@H]1CCCO1	895749639	UOQYBWLUBPAVHP-QWHCGFSZSA-N	265.353	1.720	10	20	CDCD	
NC(=O)c1cccc(NC(=O)c2cccc(O)c2O)c1	188087816	MGERAHLUVYLPSM-UHFFFAOYSA-N	272.260	1.449	10	20	CDCD	
C[C@H](NC(=O)c1cccc(O)c1O)C1CCOCC1	193135046	SGPIDMVQZJLRJR-VIFPVBQESA-N	265.309	1.643	10	20	CDCD	
O=C1CCCN1CCNCc1c(O)cccc1Cl	405303555	VHDZUKGSYGOMIH-UHFFFAOYSA-N	268.744	1.758	10	20	CDCD	
CS(=O)(=O)[C@@H]1CCC[C@H](NCc2ccccc2O)C1	77458046	QLPZILQWGLVOHX-QWHCGFSZSA-N	283.393	1.838	10	20	CDCD	
CNC(=O)[C@H](CC(C)C)NC(=O)Nc1ccc(N)cc1	387085504	FQSYRAJAKQXBPN-LBPRGKRZSA-N	278.356	1.551	10	20	CDCD	
CS[C@@H](CO)[C@@H](C)NCc1cccc(C)c1O	224855959	YIGYDLBQYCDXDS-PWSUYJOCSA-N	255.383	1.903	10	20	CDCD	
COCC1CCN(C(=O)c2ccc(C)c(O)c2O)CC1	179494451	VMKPWEPGFAIQHL-UHFFFAOYSA-N	279.336	1.905	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)NC2CCOCC2)c1	171741574	RJVCICRAXAUJJK-SNVBAGLBSA-N	294.351	1.940	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N(C)[C@H](C)CO	305744606	URYOVMVJWNXMLU-GFCCVEGCSA-N	279.384	1.583	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)c1c(O)cccc1F	184991326	NKKPVXRIRCHLGU-UHFFFAOYSA-N	277.251	1.873	10	20	CDCD	
CC[C@@]1(CO)CCCN1C(=O)/C=C/c1ccc(O)c(O)c1	189176992	HZQLGSMFCJMCFB-YERXGYGTSA-N	291.347	1.875	10	20	CDCD	
CCc1ccnc(C(=O)NCc2ccc(O)c(O)c2)c1	182535501	LXGDVFHCJYFRDN-UHFFFAOYSA-N	272.304	1.985	10	20	CDCD	
CN(C)c1ccc(CNC[C@@H]2CCCS(=O)(=O)C2)cc1	290113684	LIIXWMQVRCHTKR-AWEZNQCLSA-N	296.436	1.667	10	20	CDCD	
CCN(CC)c1ccc(CN(CCO)CCOC)cc1	93006205	KSLHFTCNXIBGON-UHFFFAOYSA-N	280.412	1.974	10	20	CDCD	
CNC(=O)CC1CCN(Cc2cc(F)ccc2O)CC1	180186278	QWILDPUKOOVNBO-UHFFFAOYSA-N	280.343	1.879	10	20	CDCD	
CS(=O)(=O)CC1(CC(=O)Nc2ccc(N)cc2)CC1	237295867	ARQILMCTEPKBIF-UHFFFAOYSA-N	282.365	1.422	10	20	CDCD	
COc1cc(Cl)cc(CN[C@H]2C[C@@H](O)C2)c1O	294917798	SXGFGMZVOVIIBC-AOOOYVTPSA-N	257.717	1.667	10	20	CDCD	
CCCOc1ccc(CNC2(CO)CCOCC2)c(O)c1	265221573	HEDIVGPYHGADEM-UHFFFAOYSA-N	295.379	1.812	10	20	CDCD	
CCOc1ccc(O)c(CN[C@@H](C(=O)OC)C2CC2)c1	276498883	RKWSKCFBGUTHHT-CQSZACIVSA-N	279.336	1.832	10	20	CDCD	
CC(=O)CCC(=O)N[C@H](C)Cc1ccc(O)c(O)c1	282677721	IAPSBPPQUDQMGL-SECBINFHSA-N	265.309	1.514	10	20	CDCD	
C[C@H](N[C@H]1CCc2cccc(O)c21)C(=O)NCCF	296246981	BAPSIAWLFKZQKX-ONGXEEELSA-N	266.316	1.443	10	20	CDCD	
COc1ccc(N2CCN(Cc3nc(C)n[nH]3)CC2)cc1	292157761	KETSHSHKEUZDJS-UHFFFAOYSA-N	287.367	1.444	10	20	CDCD	
CC[C@H](N[C@@H](C)C(=O)NC)c1ccc(C)cc1O	291885047	JXTWQHDIVQKJJO-JQWIXIFHSA-N	250.342	1.876	10	20	CDCD	
CCNS(=O)(=O)NCc1cc(Cl)cc(Cl)c1O	805135333	JXMUQOWBXOIHKD-UHFFFAOYSA-N	299.179	1.643	10	20	CDCD	
C[C@@H](NC(=O)c1c(F)ccc(O)c1O)[C@H]1CCOC1	295012514	PZBJPZJFYSWXCI-SFYZADRCSA-N	269.272	1.392	10	20	CDCD	
CC(=O)C(=O)COC(=O)c1ccc(-n2cccn2)cc1	808490424	DHEVHSXLRMKCDK-UHFFFAOYSA-N	272.260	1.187	10	20	CDCD	
C[C@@H](NC[C@H]1CNCCO1)c1ccc(N(C)C)cc1	817982795	HJRATNVXIHYXBH-IUODEOHRSA-N	263.385	1.392	10	20	CDCD	
COc1ccc(N2CC[C@H](CNC(=O)[C@H](C)CN)C2)cc1	818613590	UMADWTCFPOJPLW-CHWSQXEVSA-N	291.395	1.233	10	20	CDCD	
CCn1nncc1C(=O)NCCCSc1nccs1	815590744	HIJKMHMHVCEJQT-UHFFFAOYSA-N	297.409	1.667	10	20	CDCD	
C[C@@H]1[C@H](C(=O)NCc2ccc(N(C)C)c(F)c2)CCN1C	825624944	TYGGUMGITMFPRL-DGCLKSJQSA-N	293.386	1.848	10	20	CDCD	
CCN(C[C@@H]1CCOC1)C(=O)c1c(F)ccc(O)c1O	825606701	JWRCYVRVZCVVTB-VIFPVBQESA-N	283.299	1.736	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CSC1COC1	901642460	BZMVIAPBQXOLTI-UHFFFAOYSA-N	294.420	1.843	10	20	CDCD	
F[C@@H]1CN[C@H](CNCc2ccc3c(c2)CCCO3)C1	904354670	ITOAUJXBWAUZIN-KBPBESRZSA-N	264.344	1.801	10	20	CDCD	
COCC[C@@]1(NC(=O)c2cc(O)cs2)CCOC1	834587856	KBRIWCUIQNOSGO-GFCCVEGCSA-N	271.338	1.379	10	20	CDCD	
Cc1cc(C(=O)N[C@@H](C)CCN)c(C)n1-c1ccccn1	834452093	FOSDIZPMGCSYKZ-NSHDSACASA-N	286.379	1.956	10	20	CDCD	
O=C1NN(c2ccccc2)C(=O)/C1=C\c1c[nH]c(C(=O)O)c1	833358350	RSFYMVIFYKCCBK-WDZFZDKYSA-N	297.270	1.174	10	20	CDCD	
C[C@H](NC1CC1)C(=O)NC[C@H](N)c1ccc(N(C)C)cc1	841845940	ICNRNCIAECBHRM-NHYWBVRUSA-N	290.411	1.009	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)N[C@@H]1CCC[C@@H](N)C1	841981784	IVOZKTYVJSJQLY-CHWSQXEVSA-N	277.368	1.804	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCNCC1	841829047	XOURIHRPOHHPKH-UHFFFAOYSA-N	276.384	1.176	10	20	CDCD	
C[C@H](N)CCNC(=O)NCc1ccc(N(C)C)c(F)c1	841760333	JXXQYHXMEURVSN-JTQLQIEISA-N	282.363	1.428	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@@H]2CCC(=O)C2)c1	843831901	SIRNGWFISITVRO-SECBINFHSA-N	263.293	1.386	10	20	CDCD	
CCONC(=O)CNCc1ccc2ccccc2c1O	846090827	KDVILQWUUNDBSF-UHFFFAOYSA-N	274.320	1.703	10	20	CDCD	
C[C@H]1CNCCN1Cc1c(O)ccc(Cl)c1F	843046922	FLHSZUQFNSJZGI-QMMMGPOBSA-N	258.724	1.978	10	20	CDCD	
CCN(C(=O)/C=C(\C)c1cnccn1)c1cnn(C)c1	848344572	JQBWHLPASSSOPD-YRNVUSSQSA-N	271.324	1.667	10	20	CDCD	
COc1ccc(CNC(=O)CCC(C)(C)N)c(O)c1	843499692	LQKZCWGVCFSOPP-UHFFFAOYSA-N	266.341	1.535	10	20	CDCD	
C[C@@H](NCCO[C@H]1CCOC1)c1cc([N+](=O)[O-])ccc1O	927081503	SPYHFZBMNUSPBD-PWSUYJOCSA-N	296.323	1.757	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)N[C@H](C)C[S@](C)=O)c1	858358282	NQCJOAHEIIZRHG-DGIBIBHMSA-N	284.381	1.267	10	20	CDCD	
CCn1cc(C(=O)C(=O)NCCc2ccc(N)cc2)cn1	857764883	CVIQXBYFZUNFAN-UHFFFAOYSA-N	286.335	1.027	10	20	CDCD	
COCCOC[C@@H](C)NC(=O)NCc1cc(C)ccc1O	858286696	GCJAZBAWIXVNLV-GFCCVEGCSA-N	296.367	1.551	10	20	CDCD	
COC[C@@](C)(CC(=O)OC)NCc1ccc(N(C)C)cc1	757926781	OMKJAPLUBCTYEY-MRXNPFEDSA-N	294.395	1.810	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)N[C@H](C)[C@@H]2CCOC2)c1	858251383	WGPLFCNXVINGNX-VXGBXAGGSA-N	278.352	1.925	10	20	CDCD	
CN(C)c1ccc(CN[C@@]2(CO)CCOC2)cc1F	757978607	NRKPDUTYMBBHLW-CQSZACIVSA-N	268.332	1.133	10	20	CDCD	
CCOC1CCN(Cc2cc3c(cc2O)OC[C@H]3O)CC1	768443233	RVCIXAHLFAAKAX-OAHLLOKOSA-N	293.363	1.819	10	20	CDCD	
C[C@H](NC[C@@]1(O)CCN(C)C1)c1cc([N+](=O)[O-])ccc1O	762788743	QLRDZGWSYLPOIA-HZMBPMFUSA-N	295.339	1.018	10	20	CDCD	
COc1ccc(N(C)CC(=O)N=S(C)(C)=O)cc1	878801986	UUVBGKLKPVYELQ-UHFFFAOYSA-N	270.354	1.386	10	20	CDCD	
Cc1ncoc1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	773746144	XTGIATDCDNYFRE-MRVPVSSYSA-N	276.292	1.755	10	20	CDCD	
COc1ccc(CN[C@H]2C[C@@H](O)C2)cc1Cn1cccn1	873129870	SDUNKUQAAFYUMH-GASCZTMLSA-N	287.363	1.553	10	20	CDCD	
C[C@@H]1CCN(Cc2ccc(N(C)C)c(F)c2)[C@@H](C(N)=O)C1	779203375	BXYAXDVKFRSLKA-IAQYHMDHSA-N	293.386	1.978	10	20	CDCD	
C[C@H](NC(=O)C1(O)CCC1)c1ccc(N(C)C)cc1	775412198	UVSRIDXMJUWKMJ-NSHDSACASA-N	262.353	1.845	10	20	CDCD	
CCCNC(=O)[C@@H](C)OC(=O)c1cccc(O)c1O	776282951	ZHAUKOPKGBOXSC-MRVPVSSYSA-N	267.281	1.169	10	20	CDCD	
CCN(CCCO)Cc1ccc(N2CCN(C)CC2)cc1	775716160	CUYFIIBNIHFCKU-UHFFFAOYSA-N	291.439	1.643	10	20	CDCD	
COc1cccc([C@H](C)N[C@@H](CO)C[C@H]2CCCO2)c1O	886672355	MVMHAEMWTGFFPQ-YNEHKIRRSA-N	295.379	1.981	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H](CO)CC(F)(F)F)c(O)c1O	781016392	WJRIXESBGDMBJA-SSDOTTSWSA-N	293.241	1.449	10	20	CDCD	
CC[S@](=O)CCN[C@@H](C)c1c(O)cccc1F	886526141	FVPBBUPIZSWRNA-XYZCENFISA-N	259.346	1.951	10	20	CDCD	
COC(=O)[C@@H]1CCN(Cc2cccc(OC)c2O)[C@H]1C	787420280	FHDUIFGPWURZSU-CMPLNLGQSA-N	279.336	1.784	10	20	CDCD	
COc1ccc(CNCc2cn(C)cn2)c(O)c1OC	898042570	SAVCBAOUQOQVEE-UHFFFAOYSA-N	277.324	1.433	10	20	CDCD	
CCOCC1(C(=O)NCc2cc(OC)ccc2O)CC1	799698222	QYFLBGAKQNNNKX-UHFFFAOYSA-N	279.336	1.834	10	20	CDCD	
COc1ccc(CNC(=O)NOC2CCOCC2)c(O)c1	793057545	BXMDQRDVNUMVOA-UHFFFAOYSA-N	296.323	1.311	10	20	CDCD	
COCc1nc(C(=O)NCc2ccccc2O)cs1	748345422	BVXHVQWEOQZHPP-UHFFFAOYSA-N	278.333	1.925	10	20	CDCD	
COc1ccc(CNC(=O)c2ccnn2C)c(O)c1	794369198	DXIJTNWHNRIWML-UHFFFAOYSA-N	261.281	1.064	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)c1cccnc1F	791221767	ZFRWTZMOTSVSGV-UHFFFAOYSA-N	276.267	1.604	10	20	CDCD	
COc1ccc(N(C)C[C@H]2CN(C)C(=O)O2)c(OC)c1	1326248968	UGHMICGRUFQDSK-NSHDSACASA-N	280.324	1.591	10	20	CDCD	
C[C@H](CC(=O)OC(C)(C)C)NC(=O)c1cccc(O)c1O	1322340454	WDIABEXQJVFTIE-SECBINFHSA-N	295.335	1.948	10	20	CDCD	
CN1CC=C(CNC(=O)NCc2ccc(N)cc2)CC1	1337019788	VCLOWFGRBJJRQP-UHFFFAOYSA-N	274.368	1.330	10	20	CDCD	
Nc1ccc(Cc2noc([C@H]3CC[C@@H](C(=O)O)O3)n2)cc1	1608272770	LABDUVDFVOUVIV-MNOVXSKESA-N	289.291	1.547	10	20	CDCD	
Cc1cc(C(=O)NCCN)c(C)n1-c1ccc(F)cc1	158700389	CCNXDUAPGGNXHN-UHFFFAOYSA-N	275.327	1.922	10	20	CDCD	
C[C@@]1(CNCc2cc([N+](=O)[O-])ccc2O)CCCO1	152921566	CXAQTTUSHIRFSW-ZDUSSCGKSA-N	266.297	1.959	10	20	CDCD	
COC(=O)N1CCC(NC(=O)Cc2ccc(N)cc2)CC1	153289455	DVDFLIBHYNZDRD-UHFFFAOYSA-N	291.351	1.158	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2	154999807	OEZWNYIHWSYBDV-BZPMIXESSA-N	276.336	1.854	10	20	CDCD	
CCOc1cccc(CNCCO[C@@H]2CCOC2)c1O	922938580	FVLPIEISDBXOPE-CYBMUJFWSA-N	281.352	1.686	10	20	CDCD	
C[C@@H](C(=O)N[C@H](C)c1ccccc1O)n1cncn1	827922946	FFKGIKRYNUPVNR-ZJUUUORDSA-N	260.297	1.422	10	20	CDCD	
CN(Cc1ccccc1O)c1ccc(C(N)=O)cn1	1261126326	JXYBEYYBNSAIBF-UHFFFAOYSA-N	257.293	1.523	10	20	CDCD	
CCNC(=O)[C@@H](C)N[C@@H](C)c1cc(OC)ccc1O	36794998	KFYBGPJZROMKDV-VHSXEESVSA-N	266.341	1.576	10	20	CDCD	
COC[C@](C)(O)CNCc1ccc(N2CCCC2)cc1	382589008	YIWDFCZSPGZCLM-MRXNPFEDSA-N	278.396	1.774	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1nccnc1N	22243394	BAZAVKSWAWZNOJ-UHFFFAOYSA-N	285.351	1.397	10	20	CDCD	
CC(=O)N[C@H](C)C(=O)NCc1ccc(N(C)C)cc1C	115281201	MIKZMEJGSOEJBB-LLVKDONJSA-N	277.368	1.202	10	20	CDCD	
COc1ccc(O)c(CNC(=O)CN(C)C(C)C)c1	114543503	GAGOXIGOJHKWOL-UHFFFAOYSA-N	266.341	1.357	10	20	CDCD	
C[C@H](NCCOCCO)c1cc(Cl)ccc1O	184886663	HHMDBVKLSRJSEJ-VIFPVBQESA-N	259.733	1.705	10	20	CDCD	
CC(C)n1cc(C(=O)NCc2ccc(O)c(O)c2)cn1	188451501	HDAXEURSUBXOBW-UHFFFAOYSA-N	275.308	1.805	10	20	CDCD	
CCNS(=O)(=O)CCNCc1cccc(Cl)c1O	224790843	GQPFEZJGWITCOG-UHFFFAOYSA-N	292.788	1.075	10	20	CDCD	
CN(C)c1ccc(CNC(=O)C(=O)Nc2cccnc2)cc1	80147374	JBGVZVAAHOZAIZ-UHFFFAOYSA-N	298.346	1.403	10	20	CDCD	
Cc1cc(C(=O)NCCCO)c(C)n1-c1ccccn1	97251055	RYPNHGJTNYMQRD-UHFFFAOYSA-N	273.336	1.601	10	20	CDCD	
Nc1ccc(CCNC(=O)[C@@H]2CC23CCNCC3)cc1	237940760	JUPSCJBWRDBOMH-AWEZNQCLSA-N	273.380	1.317	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)c2nncs2)c1	530184461	LIWYJQAMZMMWJH-ZETCQYMHSA-N	279.321	1.743	10	20	CDCD	
COc1ccc(O)c(CNC[C@@H]2CCCN(C(C)=O)C2)c1	279833237	QLTXQNKDKXHMKW-ZDUSSCGKSA-N	292.379	1.749	10	20	CDCD	
CO[C@H](C)CN[C@@H](C)c1cc([N+](=O)[O-])ccc1O	276983033	WGOWIZKMSYIOQC-BDAKNGLRSA-N	254.286	1.986	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@H]2CCCN2C2CC2)cc1	279793481	VGTDORZNFKVMLD-MRXNPFEDSA-N	287.407	1.996	10	20	CDCD	
CN(C)c1ccc(CN2C(=O)NC3(CC3)C2=O)cc1	272095566	MPKYDUHJKDJJFJ-UHFFFAOYSA-N	259.309	1.337	10	20	CDCD	
C[C@H](NC[C@H](O)CN1CCCC1)c1cc(F)ccc1O	273405886	OJWPFFJYTBWPHU-AAEUAGOBSA-N	282.359	1.639	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1C[C@]12CCOC2	373479385	JBYGJKNOJKPAJM-SIVJFFJCSA-N	291.347	1.572	10	20	CDCD	
Cc1cc(C)c([C@@H](C)NCc2nncn2C)c(O)c1	283843036	AYZAKZFWVTZZGA-LLVKDONJSA-N	260.341	1.988	10	20	CDCD	
CCOc1cc(O)ccc1NS(=O)(=O)C[C@@H](C)OC	282299144	WWQFLQOMLUTWEA-SECBINFHSA-N	289.353	1.568	10	20	CDCD	
Cc1cc(C)c([C@@H](C)NC[C@@H]2CN(C)CCN2C)c(O)c1	293885076	VPQHRFMSVLOQLZ-HUUCEWRRSA-N	291.439	1.905	10	20	CDCD	
O=C(NCc1ccccc1O)c1cnc2[nH]c(O)nc2c1	809642720	JNEYKQBLZXLURP-UHFFFAOYSA-N	284.275	1.299	10	20	CDCD	
CCN(CC(=O)NC1CC1)c1ccc(OC)c(OC)c1	299298778	XPMORZRWIGEESU-UHFFFAOYSA-N	278.352	1.809	10	20	CDCD	
C[C@H](CO)N(C)Cc1ccc(N2CCOCC2)c(F)c1	809745924	NPFJLAQZLHJIAJ-GFCCVEGCSA-N	282.359	1.475	10	20	CDCD	
CNC(=O)C1CN(Cc2cc(Cl)cc(OC)c2O)C1	297290656	AWBXDRPCYOGBQT-UHFFFAOYSA-N	284.743	1.232	10	20	CDCD	
C[C@@H](N[C@H]1C[C@@H](O)C1)c1cc([N+](=O)[O-])ccc1O	295824560	CBHIQTHRTSRPKU-MRTMQBJTSA-N	252.270	1.474	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)Cn1cccn1	298054596	BHJKCIMIFJJCRS-UHFFFAOYSA-N	286.379	1.998	10	20	CDCD	
COC1(CNC(=O)c2c(F)ccc(O)c2O)CCOCC1	827166329	NJYWGWBKNSRBEG-UHFFFAOYSA-N	299.298	1.162	10	20	CDCD	
C[C@@H]1CCCN(C(=O)C(=O)N[C@H](C)c2ccccc2O)C1	827940640	GLZGYUGFRPVMJH-VXGBXAGGSA-N	290.363	1.828	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1[C@@H]2CCC(=O)[C@H]21	905447806	GRKAPTGKCLBFQH-VNQPRFMTSA-N	286.375	1.936	10	20	CDCD	
CC(=O)OC(C)(C)C(=O)NCCc1ccc(N)cc1	904925373	GXECKIRCYYHWCE-UHFFFAOYSA-N	264.325	1.269	10	20	CDCD	
CCOCCO[C@H](C)C(=O)NCc1cc(OC)ccc1O	734015437	JVMICZAVZRNPEZ-LLVKDONJSA-N	297.351	1.459	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1C(=O)[C@@H](C)NC1=S	734512349	QJOQJRJRTGOCKP-SNVBAGLBSA-N	277.393	1.666	10	20	CDCD	
CCN(C[C@H](C)OC)C(=O)c1c(F)ccc(O)c1O	832328431	JDUMKHDQUHWGPR-QMMMGPOBSA-N	271.288	1.734	10	20	CDCD	
NC(=O)C1(C(=O)NCCCSc2nccs2)CCC1	747909748	XMTVZKYUZYVPHK-UHFFFAOYSA-N	299.421	1.397	10	20	CDCD	
CCOC1CC(N(C)C(=O)C(=O)Nc2ccc(N)cc2)C1	841129767	GSWKWSSAFFAGCU-UHFFFAOYSA-N	291.351	1.233	10	20	CDCD	
C[C@@H]1CN(Cc2ccc(N3CCN(C)CC3)cc2)C[C@H]1N	843121015	YLVNGIBHDVPRAO-RHSMWYFYSA-N	288.439	1.217	10	20	CDCD	
CCc1nc(CC(=O)NCc2ccc(O)cc2O)cs1	910951391	HPSIXKVNKQRBJH-UHFFFAOYSA-N	292.360	1.976	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)NC(C)(C)CN	841826163	DMAIHEMZYHGXBF-UHFFFAOYSA-N	278.400	1.598	10	20	CDCD	
CCc1cccc(CN2CCNC(=O)C[C@H]2C)c1O	848912396	QMPYTHAVHRNJQB-LLVKDONJSA-N	262.353	1.665	10	20	CDCD	
C[C@H]1[C@@H](C)NCCN1C(=O)NCCc1ccc(N)cc1	841955932	RSYKSYPEZCAJTK-NEPJUHHUSA-N	276.384	1.203	10	20	CDCD	
CC(C)NCCCNC(=O)NCc1ccc(N(C)C)cc1	841933779	INKNIFNXSQEOOY-UHFFFAOYSA-N	292.427	1.940	10	20	CDCD	
COCC1(CC(=O)NCc2cccc(OC)c2O)CC1	843832455	MZKFOSRWYJTPTD-UHFFFAOYSA-N	279.336	1.834	10	20	CDCD	
CCONC(=O)CNCc1cc(F)c(N(C)C)cc1F	858184928	XMGCMZSVSZGYQC-UHFFFAOYSA-N	287.310	1.188	10	20	CDCD	
C[C@H](CC(N)=O)N[C@@H]1C[C@@H](C)c2c(F)ccc(O)c21	756659288	COIUSXHYBBFEKV-NQMVMOMDSA-N	266.316	1.933	10	20	CDCD	
CN1CCN(Cc2ccc(N(C)C)cc2)CCC1=O	852578181	VOAWIUDDBSUZII-UHFFFAOYSA-N	261.369	1.417	10	20	CDCD	
CCCN1C[C@H](C(=O)NCc2cc(C)ccc2O)CC1=O	862755736	XBCLUZJEFXQNHX-CYBMUJFWSA-N	290.363	1.575	10	20	CDCD	
OCC[C@H](NCc1ccccc1O)C1CCOCC1	763468427	YXHFUWZUSSXHLA-AWEZNQCLSA-N	265.353	1.659	10	20	CDCD	
Cc1ncc([N+](=O)[O-])n1CC(=O)c1ccc(O)c(O)c1	776841323	UJRXXKQXGJVSRR-UHFFFAOYSA-N	277.236	1.394	10	20	CDCD	
Cc1ccc(C(=O)NCCc2cncn2C)c(O)c1O	773823071	HTZNJYPIRFPHHE-UHFFFAOYSA-N	275.308	1.112	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCC(n2ccnn2)CC1	776356875	GNRXPZVMPFUKBO-UHFFFAOYSA-N	288.307	1.167	10	20	CDCD	
CCc1ncncc1C(=O)NCc1ccc(O)c(O)c1	778923015	NVJVHAXFDWXKFC-UHFFFAOYSA-N	273.292	1.380	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CNC(C)(C)C	1116669870	MFTHRXSAZVTPIR-JTQLQIEISA-N	280.368	1.533	10	20	CDCD	
Cc1cccc(O)c1CNCCCO[C@H]1CCOC1	877087218	IJYDHNMHBIKQCH-ZDUSSCGKSA-N	265.353	1.986	10	20	CDCD	
CN(CCNCc1cc(F)cc(F)c1O)CC(F)F	883191697	HJOYWELFWVOFGV-UHFFFAOYSA-N	280.265	1.957	10	20	CDCD	
CCO[C@@H]1COCC[C@@H]1NCc1cc(F)cc(F)c1O	883087940	NGYSWNIBTCFEFI-QWHCGFSZSA-N	287.306	1.954	10	20	CDCD	
CC[C@@H](C(=O)NCc1ccc(N(C)C)cc1)[C@@H](C)O	789944180	MRAYUDPQMOKMIN-BXUZGUMPSA-N	264.369	1.776	10	20	CDCD	
CN1CCCc2cc(CNC(=O)[C@H](N)CC3CC3)ccc21	884205068	LKYPMGQABXEVIK-OAHLLOKOSA-N	287.407	1.813	10	20	CDCD	
CC[C@H](O)[C@@H](C)C(=O)NCc1ccc(N(C)C)cc1	899982181	AHSGOAAOYLTKDQ-RISCZKNCSA-N	264.369	1.776	10	20	CDCD	
COc1ccc(CN[C@H]2COC[C@@H]2C)c(O)c1OC	896733154	NQDHMSUACGKVEQ-ONGXEEELSA-N	267.325	1.534	10	20	CDCD	
CCOC(=O)[C@H]1CCN(Cc2cc3c(cc2O)OCO3)C1	896962309	KSDYPGNESDTDBI-JTQLQIEISA-N	293.319	1.506	10	20	CDCD	
CCOc1cccc(CN(C)[C@H](C)C[S@](C)=O)c1O	187831287	PVGKBRIJOXPROF-WYRIXSBYSA-N	285.409	1.990	10	20	CDCD	
COc1ccc(CNC(=O)[C@H](C)SC)c(O)c1	794381898	RIBVIJBFUICBBB-QMMMGPOBSA-N	255.339	1.769	10	20	CDCD	
COc1ccc(CNC(=O)N=c2cc[nH]c(C)c2)c(O)c1	797638603	GTCWZIJVCSRKOF-UHFFFAOYSA-N	287.319	1.848	10	20	CDCD	
CCC[C@@](C)(O)C(=O)NCc1ccc(OC)cc1O	794381099	KWYPCAXGBDUZNB-CQSZACIVSA-N	267.325	1.568	10	20	CDCD	
O=C(NCc1cccc(O)c1O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2	1153798256	NPZIESYVDGPFPX-GDPRMGEGSA-N	275.304	1.329	10	20	CDCD	
Nc1ccc(CC(=O)N2CCc3ncncc3C2)cc1	1330999487	IIKVUJIWQSRXNI-UHFFFAOYSA-N	268.320	1.186	10	20	CDCD	
Nc1ccc(NC(=O)c2cn(C3CCNCC3)nn2)cc1	1349370664	FGXJWCJYWKCHAD-UHFFFAOYSA-N	286.339	1.037	10	20	CDCD	
O=C(O)c1cnc(SC[C@@H]2COCCO2)s1	1602536574	BENLSIAUDNYEJR-LURJTMIESA-N	261.324	1.349	10	20	CDCD	
O=C(O)CN(Cc1cc[nH]n1)Cc1cc(Cl)ccc1O	1602060352	OZCNFPOGPBTCDM-UHFFFAOYSA-N	295.726	1.856	10	20	CDCD	
Cc1cc(CNC(=O)c2cc(O)cs2)oc1C(=O)O	1607644945	QRGPMZLODUZYBA-UHFFFAOYSA-N	281.289	1.983	10	20	CDCD	
COc1ccc(O)c(CNC[C@]2(O)CCO[C@@H]2C)c1	228094431	JRSQOWXFMCJNRA-QMTHXVAHSA-N	267.325	1.030	10	20	CDCD	
C[C@H]1CN(C(=O)c2cc(O)cs2)CCN1CCC(=O)O	1594488480	DLFNTAVYZXQFIQ-VIFPVBQESA-N	298.364	1.075	10	20	CDCD	
CN(C)c1ccc(/C=C/CNC[C@@](C)(O)C(=O)O)cc1	1593709162	YFDFSXHZFIUPKS-MBVDDHJVSA-N	278.352	1.191	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)c1ccc([N+](=O)[O-])cc1	159002240	DVUNIDKNOWQSNV-UHFFFAOYSA-N	288.259	1.936	10	20	CDCD	
CCn1cc(CN(C)Cc2ccc(N(C)C)cc2)nn1	929226309	QCLQNNOLZUMRFK-UHFFFAOYSA-N	273.384	1.996	10	20	CDCD	
CCn1cc(S(=O)(=O)NCc2ccccc2O)nc1C	162123439	BKLXCTDQRWQXQE-UHFFFAOYSA-N	295.364	1.396	10	20	CDCD	
CN(Cc1nccn1C)C(=O)Cc1ccc(N)cc1	37822979	YSCPTPNBFMOTNE-UHFFFAOYSA-N	258.325	1.203	10	20	CDCD	
COc1cccc(CN2CC[C@@H]3NCC[C@H]3C2)c1O	311701299	MAJHWMPXYDRVRI-AAEUAGOBSA-N	262.353	1.585	10	20	CDCD	
CC[C@H](N[C@@H]1COC[C@@H]1OC)c1ccccc1O	839196351	UXTUDYDDUFUUPT-SCRDCRAPSA-N	251.326	1.847	10	20	CDCD	
CS[C@H](CO)[C@@H](C)NCc1cccc(C)c1O	224856002	YIGYDLBQYCDXDS-ZYHUDNBSSA-N	255.383	1.903	10	20	CDCD	
COc1ccc(O)c(CNC[C@H](O)c2ccco2)c1	305762961	DCQWXNVQWXQKKX-ZDUSSCGKSA-N	263.293	1.817	10	20	CDCD	
COc1ccc(N2CCN(C(=O)COC(C)C)CC2)cc1	63628427	RCYDLCJLYGQRMW-UHFFFAOYSA-N	292.379	1.769	10	20	CDCD	
CC[C@H](O)CNCc1ccc(N2CCOCC2)cc1	124376896	ZTHUPWAOESRIIP-HNNXBMFYSA-N	264.369	1.384	10	20	CDCD	
CN(CCn1cccn1)C(=O)/C=C/c1ccc(O)c(O)c1	181068285	DUINPWHXMWOEPG-GQCTYLIASA-N	287.319	1.466	10	20	CDCD	
CSC[C@H](O)CN(C)c1ccc2c(c1)OCO2	188147020	QZIUPWPLAFMEFY-SNVBAGLBSA-N	255.339	1.575	10	20	CDCD	
O=C(C[C@@H]1CCCCO1)NCc1ccc(O)c(O)c1	182523370	HJBBOFFLSMGZKD-NSHDSACASA-N	265.309	1.673	10	20	CDCD	
CCOC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1	181155861	HTTNUBAZTXYBMW-BPJJOFIESA-N	291.347	1.996	10	20	CDCD	
COc1ccc(O)c(CN2CC[C@@H]([C@@H](C)N)C2)c1	126904576	SIDALCANVWGRMT-GHMZBOCLSA-N	250.342	1.570	10	20	CDCD	
CCc1nnsc1C(=O)NCc1ccc(N)cc1	87443902	SLDXSCUFWGPXED-UHFFFAOYSA-N	262.338	1.613	10	20	CDCD	
CS(=O)(=O)C1(CN[C@@H]2CCc3cccc(O)c32)CCC1	296391306	JVAYBLLZVZTXKE-GFCCVEGCSA-N	295.404	1.936	10	20	CDCD	
Nc1ccc(NC(=O)[C@@H]2C[C@H]2C2CCNCC2)cc1	368116202	UCIHIBCNKGPOJK-UONOGXRCSA-N	259.353	1.843	10	20	CDCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)O	274143065	HCJDNKKPOBJBCK-UHFFFAOYSA-N	276.336	1.720	10	20	CDCD	
COc1cccc(CN2CC[C@@H](O)C(C)(C)C2)c1O	275850398	HYPIMNPVGRUVIT-CYBMUJFWSA-N	265.353	1.994	10	20	CDCD	
CCOc1ccc(O)c(CNC[C@H](CO)[C@H]2CCOC2)c1	280315864	OVFQZDCUUMITDZ-GXTWGEPZSA-N	295.379	1.526	10	20	CDCD	
OC[C@]1(F)CCCN(Cc2cc3c(cc2O)OCO3)C1	289816668	NXWLKBJRJDMKHC-AWEZNQCLSA-N	283.299	1.417	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1ccnn1C	299345084	KYAONQSWKGGZGA-UHFFFAOYSA-N	272.352	1.758	10	20	CDCD	
CC(=O)C(=O)Cn1ccnc1[C@H](O)c1ccc(F)cc1	808033087	GNFNZJYZYSETLJ-CYBMUJFWSA-N	276.267	1.262	10	20	CDCD	
COc1cccc(O)c1CN1CCOCC(F)(F)C1	809788794	WDMJLRGZSIRUSK-UHFFFAOYSA-N	273.279	1.868	10	20	CDCD	
CC(=O)C(=O)COC(=O)CSc1ccccc1[N+](=O)[O-]	808486695	WXZZCYWGUZLTPL-UHFFFAOYSA-N	297.288	1.388	10	20	CDCD	
Cc1ccc2c(c1)/C(=C\c1cn(C)nn1)C(=O)N2C	811701426	WDUYMSZUGBOWAO-KPKJPENVSA-N	254.293	1.641	10	20	CDCD	
CN(C)c1ccc(Cn2nc3ccccn3c2=O)cc1	814740984	GXNHWRLNZWLWDU-UHFFFAOYSA-N	268.320	1.610	10	20	CDCD	
CC[C@@H](C)NC(=O)[C@H](C)OC(=O)c1ccc(C)c(O)c1O	727005624	UHOVVOQCDWXVFK-ZJUUUORDSA-N	295.335	1.866	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)CNC(=O)C2CC2)c1	728978305	OPLVTPTVSHJRGL-SECBINFHSA-N	292.335	1.104	10	20	CDCD	
CCOc1ccc(O)c(CN(C)[C@@H](C)C(=O)O)c1	820387392	NVABKTIPWXLQAA-VIFPVBQESA-N	253.298	1.696	10	20	CDCD	
COc1cccc(CNC(=O)CCCN(C)C(=O)O)c1O	738098261	ZOAUQCJGMQXDSS-UHFFFAOYSA-N	296.323	1.407	10	20	CDCD	
CC(C)CC(=O)NC[C@@H](N)c1ccc(N(C)C)cc1	832284915	NXNYNACKFUQTQS-CQSZACIVSA-N	263.385	1.915	10	20	CDCD	
CC(C)CN1CC(=O)N[C@@H]1c1cc(C(=O)O)ccc1O	736432392	MKEDPIYWYGOVQM-ZDUSSCGKSA-N	278.308	1.177	10	20	CDCD	
CCCNC(=S)NCc1cc(OC)ccc1O	733905941	GEFGFQSTVPBFPQ-UHFFFAOYSA-N	254.355	1.775	10	20	CDCD	
CC(C)N(CCC(=O)O)C(=O)/C=C\c1ccc(O)c(O)c1	833496925	NXJALKFSRCVBIM-XQRVVYSFSA-N	293.319	1.823	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)[C@@H]1CCc2c[nH]nc2C1	910950562	HTOJRTKUPQTHFN-SECBINFHSA-N	287.319	1.242	10	20	CDCD	
COc1ccc(O)c(CNC[C@@H]2CC(=O)N(C3CC3)C2)c1	846073466	VIFRVKGOYSYILM-NSHDSACASA-N	290.363	1.501	10	20	CDCD	
COc1cc(O)c(CNC[C@@H](N)C2CC2)cc1OC	841051807	YXTHZNLWPHKYPV-LLVKDONJSA-N	266.341	1.236	10	20	CDCD	
CCC[C@H](O)[C@@H](CO)NCc1ccc(N(C)C)c(F)c1	842227177	RSLGWBPRTIPZRR-HIFRSBDPSA-N	284.375	1.503	10	20	CDCD	
CN(C)c1ccc([C@@H](N)CNCc2ccccn2)cc1	841042327	IEEQIPCDDVWDAF-INIZCTEOSA-N	270.380	1.937	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NCCNC2CC2)cc1	841655435	RUUNAYBOLCQSTN-UHFFFAOYSA-N	276.384	1.304	10	20	CDCD	
Cc1nc([C@@H](C)OC(=O)c2ccc(C)c(O)c2O)n[nH]1	840218584	CDMJSZNPTDBLIH-SSDOTTSWSA-N	277.280	1.751	10	20	CDCD	
CCOc1ccc(CN2C[C@@H](CN)C[C@H]2C)c(O)c1	843057533	JLPTXSNSWAKTMP-VXGBXAGGSA-N	264.369	1.960	10	20	CDCD	
CNC[C@@H]1C[C@H](F)CN1Cc1cc(OC)ccc1O	843122429	SKQCLHYKBAVWKH-RYUDHWBXSA-N	268.332	1.533	10	20	CDCD	
Cc1cc(N(C)C)ccc1C[C@H](C)N1C(=O)CN(C)C1=O	842263906	ASKDGTMAQYQSMD-LBPRGKRZSA-N	289.379	1.886	10	20	CDCD	
CCC[C@H](O)CC(=O)NCc1cc(OC)ccc1O	750424960	VSUPCBFYPJYYRU-NSHDSACASA-N	267.325	1.568	10	20	CDCD	
C[C@@H](CC(N)=O)N[C@H](C)c1cc([N+](=O)[O-])ccc1O	756660758	OXHBFBGOVGKJIK-JGVFFNPUSA-N	267.285	1.215	10	20	CDCD	
COc1cc(C)cc(CN(C)[C@H]2CCN(C)C2=O)c1O	754741607	LWHPVWQQELOXNQ-LBPRGKRZSA-N	278.352	1.372	10	20	CDCD	
O=C(NCc1ccccc1O)N[C@@H]1CCc2c[nH]nc2C1	758740324	ZYFKEMONIKVLNH-GFCCVEGCSA-N	286.335	1.472	10	20	CDCD	
CON(C)C(=O)[C@@H](C)NCc1ccc(N(C)C)cc1C	862542274	KQHQSUDBCWLZIM-GFCCVEGCSA-N	279.384	1.559	10	20	CDCD	
COc1cccc([C@H](O)C(=O)NCc2ccccc2O)c1	765178858	UBUIOSZOBHEHFA-HNNXBMFYSA-N	287.315	1.751	10	20	CDCD	
CCN(C)c1ccc([C@@H](C)NC[C@H]2COCCN2)cc1	863544689	BITUBBKOHHIHMU-HIFRSBDPSA-N	277.412	1.782	10	20	CDCD	
COCCN(Cc1ccc(C)cc1O)[C@@H](C)C(N)=O	876695858	JIQUAFKEAOKOEW-NSHDSACASA-N	266.341	1.023	10	20	CDCD	
CNC(=O)CCCN[C@H](C)c1c(O)cccc1F	886515400	BWDIYSSWDIYEDA-SECBINFHSA-N	254.305	1.708	10	20	CDCD	
Cc1ccc(C(=O)N2CCN(C)[C@@H](C)[C@H]2C)c(O)c1O	781015562	WXFIDDHGQBWNPL-WDEREUQCSA-N	278.352	1.571	10	20	CDCD	
COC[C@@H](CCO)NCc1cc(Cl)ccc1O	219147567	SDXNJVAFLFJLOK-LLVKDONJSA-N	259.733	1.533	10	20	CDCD	
COC[C@H](C)NCc1ccc(OC)c(OC)c1O	892443882	LNKOXYJNORHXGT-VIFPVBQESA-N	255.314	1.534	10	20	CDCD	
O=C1CN(Cc2cc(F)cc(F)c2O)[C@@H]2CCCC[C@@H]2N1	893984073	KQOIBAAZGYJPDK-QWHCGFSZSA-N	296.317	1.913	10	20	CDCD	
COc1ccc(CNC[C@@H]2CCCNC2=O)c(O)c1OC	894866778	BRIHMCDJIQVQEP-NSHDSACASA-N	294.351	1.025	10	20	CDCD	
COc1cc(C)cc(CN2CCC(CO)CC2)c1O	893923544	MKVCTFIIIKAZBH-UHFFFAOYSA-N	265.353	1.914	10	20	CDCD	
CN(C)c1cc(F)c(CN[C@H]2CCOC2=O)cc1F	895808520	PAFYCPOGVFDGPL-NSHDSACASA-N	270.279	1.436	10	20	CDCD	
COc1cc(C)cc(CN2CC[C@@H](C)C[C@H]2C(N)=O)c1O	894500944	SLHLMUYVVNAJIR-MFKMUULPSA-N	292.379	1.795	10	20	CDCD	
C[C@@H]1C(=O)NCCN1Cc1ccc(N2CCCC2)cc1	1204326334	FZWDHHDAKVARED-CYBMUJFWSA-N	273.380	1.607	10	20	CDCD	
NCCCCNC(=O)NCc1ccc(N2CCCC2)cc1	1331453629	XVIZPOUHYWOLRI-UHFFFAOYSA-N	290.411	1.825	10	20	CDCD	
C[C@H](CNC(=O)NCc1ccc(N)cc1)N(C)C1CC1	1335413548	QIGCNKXGBFBFNS-LLVKDONJSA-N	276.384	1.551	10	20	CDCD	
Nc1ccc(CN2CCCN(C(=O)C3CC3)CC2)cc1	1336284506	AEPMLSWHNFCQFO-UHFFFAOYSA-N	273.380	1.713	10	20	CDCD	
O=C(C[C@@H]1CCOC1)NCc1cccc(O)c1O	1349079186	LWWUCBRLNWAEJM-VIFPVBQESA-N	251.282	1.141	10	20	CDCD	
CCN1C[C@@H](C)N(C(=O)NCc2ccc(N)cc2)C[C@H]1C	1353539891	PUYQRBZXEZEPJO-CHWSQXEVSA-N	290.411	1.893	10	20	CDCD	
CC(=O)NCC1CCN(Cc2ccccc2O)CC1	220503087	OKSOYQOANHKXDG-UHFFFAOYSA-N	262.353	1.740	10	20	CDCD	
COC1(C(=O)NCc2cccc(O)c2O)CCCC1	1528770897	FJERCCNEQFXCGF-UHFFFAOYSA-N	265.309	1.673	10	20	CDCD	
CN1CCN(C)[C@@H](CNCc2c(O)cccc2Cl)C1	226648364	NWBJIMCJLLIBSU-NSHDSACASA-N	283.803	1.381	10	20	CDCD	
C[C@H](C(=O)O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	1588563706	YUEFIFPFEZWSQF-NSHDSACASA-N	290.363	1.964	10	20	CDCD	
COC[C@@H](CNCc1ccc2c(c1)CCCO2)OC	921980317	QILKMYCSKCXVPC-CQSZACIVSA-N	265.353	1.763	10	20	CDCD	
CC[C@H]1CN(Cc2c(O)cccc2OC)CC[C@@H]1N	843053710	SHPGNWWBJUWLTO-AAEUAGOBSA-N	264.369	1.960	10	20	CDCD	
C[C@H](C(=O)O)[C@@H](C)NCc1ccc(N(C)C)cc1	846228281	LPBUCOVKKUQKOZ-WDEREUQCSA-N	250.342	1.951	10	20	CDCD	
COCc1cc(C(=O)NCc2ccccc2O)no1	135359071	WGUVTOXKZZSEEB-UHFFFAOYSA-N	262.265	1.457	10	20	CDCD	
Nc1ccc(CCNS(=O)(=O)C[C@H]2CCCCO2)cc1	193341687	MRAPZZKCFRIXBO-CQSZACIVSA-N	298.408	1.300	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](N)CC1CC1	312305110	XUDKSGZSNZBISL-OAHLLOKOSA-N	275.396	1.838	10	20	CDCD	
CCc1cccc(CNCCCC(=O)N(C)C)c1O	691450208	GUKGCFQLHVDPCR-UHFFFAOYSA-N	264.369	1.913	10	20	CDCD	
Cc1cccc(CN[C@@H]2CCS(=O)(=O)[C@@H]2C)c1O	386259674	UUPYCMWZOYQOHH-ZYHUDNBSSA-N	269.366	1.366	10	20	CDCD	
COc1cccc(CN2CC[C@]3(CCNC3)C2)c1O	388741331	AJCHACQFCXWMED-HNNXBMFYSA-N	262.353	1.586	10	20	CDCD	
CN(C)c1ccc(CNS(=O)(=O)C[C@H]2CCCO2)cc1	170656622	WQAHDBNVFOVAQH-CQSZACIVSA-N	298.408	1.351	10	20	CDCD	
COc1ccc(N2CCN([C@@H](C)C(=O)N(C)C)CC2)cc1	66863787	MRUIONOATQCYBD-ZDUSSCGKSA-N	291.395	1.294	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)NCC(C)(C)O	115854947	SGFUJTOWWKPSHG-UHFFFAOYSA-N	279.384	1.631	10	20	CDCD	
CN(C)c1ccc(CN2CCC[C@H]2C(=O)NC2CC2)cc1	121439177	TXZAYYOUBAYUHG-INIZCTEOSA-N	287.407	1.996	10	20	CDCD	
C1=C(CNCc2ccc(N3CCOCC3)cc2)COCC1	126737984	QXKRBOMZOOTLGX-UHFFFAOYSA-N	288.391	1.960	10	20	CDCD	
CC(C)C(=O)NCCNCc1cccc(Cl)c1O	124664052	HQIMXLYYFDFBHK-UHFFFAOYSA-N	270.760	1.907	10	20	CDCD	
Cn1nccc1CCNC(=O)/C=C/c1ccc(O)c(O)c1	183777654	IABKCOZPVHXDRN-HWKANZROSA-N	287.319	1.203	10	20	CDCD	
C[C@H](NCc1cccc(Cl)c1O)C(=O)N(C)C	127873280	XFGUFCCVAIILGQ-QMMMGPOBSA-N	256.733	1.612	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NCC(F)(F)F	180626288	ZRCWRXPCXSQDPS-DUXPYHPUSA-N	261.199	1.790	10	20	CDCD	
CCCNC(=O)CNCc1c(O)cccc1Cl	83551493	MNSQRBGPTLSWMN-UHFFFAOYSA-N	256.733	1.661	10	20	CDCD	
C[C@H](O)C[C@@H](C)NCc1cc2c(cc1O)OCO2	228074683	SZSVZMRHIWMYET-BDAKNGLRSA-N	253.298	1.370	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CCCN1C	437012270	KTBDCRZJWAKAMW-CQSZACIVSA-N	289.379	1.572	10	20	CDCD	
CC(C)NC(=O)CN[C@H](C)c1cc(F)ccc1O	94617118	RCGRVJUZYQAUMN-SECBINFHSA-N	254.305	1.707	10	20	CDCD	
COc1ccc(N2CCN(C(C)=O)CC2)c(OC)c1	244407315	YNWMRZGTKZIKDF-UHFFFAOYSA-N	264.325	1.372	10	20	CDCD	
CC1(CNC(=O)Cc2ccc(N)cc2)CCNCC1	183347257	JBJGKTLNLNRKLA-UHFFFAOYSA-N	261.369	1.317	10	20	CDCD	
Cc1c(CNC(=O)CC(=O)N(C)C)n(C)c2ccccc12	352135287	OLHNKKIAORRMNR-UHFFFAOYSA-N	287.363	1.581	10	20	CDCD	
COC(=O)CSCCC(=O)NCc1ccccc1O	269169967	YMIWEAXTKHVFNC-UHFFFAOYSA-N	283.349	1.305	10	20	CDCD	
COC[C@H](NC(=O)c1ccc(C)c(O)c1O)[C@H]1CCCO1	279340004	DUXGCXKYUXSPMX-NWDGAFQWSA-N	295.335	1.330	10	20	CDCD	
CCOC(=O)CN(C)C(=O)/C=C/c1ccc(O)c(O)c1	272456753	OBSHNAQUVMAMDK-FNORWQNLSA-N	279.292	1.133	10	20	CDCD	
CCN(C)c1ccc([C@@H](C)NC[C@H]2CNCCO2)cc1	817983745	PIYGZHZGBWMDRA-CZUORRHYSA-N	277.412	1.782	10	20	CDCD	
Cc1ccc(C(=O)N(C)C[C@H]2CCCN2C)c(O)c1O	817679120	RCSFOWIEVXEBDL-LLVKDONJSA-N	278.352	1.572	10	20	CDCD	
COC(OC)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C	823663204	NMBBFROGLIPRFG-LBPRGKRZSA-N	294.395	1.727	10	20	CDCD	
Oc1cc2c(cc1CN1CCO[C@@H]3COCC[C@@H]31)OCO2	902626137	OFFLQMUIFXWXGJ-XHDPSFHLSA-N	293.319	1.111	10	20	CDCD	
C[C@@H](N)C[C@@H](C)NC(=O)NCCc1ccc(N)cc1	831177981	HLXNXXSUOMPPFM-GHMZBOCLSA-N	264.373	1.236	10	20	CDCD	
CC[C@H](O)[C@H](C)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	907272136	FERLPWPWYXLTTC-NHCYSSNCSA-N	281.352	1.552	10	20	CDCD	
C[C@H](NC(=O)C[C@@H]1CC(=O)N1)c1ccc(N(C)C)cc1	832430688	HBGOTSVMTSRFQU-CMPLNLGQSA-N	275.352	1.208	10	20	CDCD	
COCCOCCCCNC(=O)c1cc(O)cs1	732280773	IDTVHWYORCUWBC-UHFFFAOYSA-N	273.354	1.627	10	20	CDCD	
CCc1nocc1C(=O)NCc1ccc(OC)cc1O	846949283	GRNHCTJCQCARAC-UHFFFAOYSA-N	276.292	1.881	10	20	CDCD	
COCCOCCC(=O)NCc1cc(Cl)ccc1O	846472046	FUKKWVVCPUBOAK-UHFFFAOYSA-N	287.743	1.715	10	20	CDCD	
Nc1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)cc1	846662786	XVNMSZBRNRHJEB-NSHDSACASA-N	299.330	1.849	10	20	CDCD	
COCC[C@](C)(O)CN[C@@H](C)c1cccc(OC)c1O	846147393	UOKIVUFOFSAXAO-NHYWBVRUSA-N	283.368	1.839	10	20	CDCD	
O=C(Cn1ccsc1=O)c1ccc(O)c(O)c1	746643467	JULJFRQGLXAUFM-UHFFFAOYSA-N	251.263	1.204	10	20	CDCD	
CCc1cc(CNC(=O)c2cc(O)cs2)on1	741299422	SCKQQMFKYHCBJD-UHFFFAOYSA-N	252.295	1.934	10	20	CDCD	
O=C(O)[C@H]1C[C@H](NCc2ccc(N3CCOCC3)cc2)C1	849230448	GSJIHOOBSOEFBD-HDJSIYSDSA-N	290.363	1.476	10	20	CDCD	
C[C@@H]1CC[C@@H](C)N1CC(=O)NCc1ccc(O)cc1O	910951833	WAIDOGAVHIQWLH-GHMZBOCLSA-N	278.352	1.587	10	20	CDCD	
CCCCN(CCCO)C(=O)C(=O)Nc1ccc(N)cc1	841110961	XTQCPLPQJMUIIG-UHFFFAOYSA-N	293.367	1.218	10	20	CDCD	
C[C@H](N)CNC(=O)c1csc(Cc2ccc(N)cc2)n1	841850569	WWWJJAKVUHIHKJ-VIFPVBQESA-N	290.392	1.393	10	20	CDCD	
CCC1(CNC(=O)NCCc2ccc(N)cc2)COC1	841915086	YOIHKOMLDOWVLR-UHFFFAOYSA-N	277.368	1.537	10	20	CDCD	
CCOc1ccc(CN2CCO[C@@H]([C@H](C)N)C2)c(O)c1	843057041	FOBBUMIEQGLBFN-XHDPSFHLSA-N	280.368	1.339	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1CCNC(=O)C[C@H]1C	840945714	WHAGWCFYXZXTSE-CYBMUJFWSA-N	275.396	1.771	10	20	CDCD	
CCS(=O)(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C	841571668	ZWVYDFKELYZPEY-LBPRGKRZSA-N	284.425	1.931	10	20	CDCD	
CCN(CC)c1ccc(CN(C)C[C@@H](O)CN)cc1	841091963	IGBDNPVXZFPIIJ-HNNXBMFYSA-N	265.401	1.284	10	20	CDCD	
CCCNCCNC(=O)N(C)Cc1ccc(N(C)C)cc1	841961118	LBSJEMKJRAKIAF-UHFFFAOYSA-N	292.427	1.894	10	20	CDCD	
Nc1ccc(NC(=O)C(=O)N2C[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2)cc1	841135486	LUWFPUFNRYULPF-LWWSYDQCSA-N	297.358	1.488	10	20	CDCD	
C[C@H](O)[C@H]1CCCN(C(=O)c2cc(O)cs2)C1	747617035	NYOOQXZDFDWIRM-IUCAKERBSA-N	255.339	1.687	10	20	CDCD	
C[C@H]1COC[C@@H]1NCc1ccc(N2CCN(C)CC2)cc1	922643366	XUXJQDJOZAKSIT-YOEHRIQHSA-N	289.423	1.563	10	20	CDCD	
CCO[C@@H]1COCC[C@@H]1NCc1cccc(OC)c1O	759173063	MJKSDYNRISMDPS-GXTWGEPZSA-N	281.352	1.684	10	20	CDCD	
Cc1ccc(O)c([C@H](C)NC[C@@H](O)c2cnn(C)c2)c1	756608271	AATSQFSKTIZDRU-XHDPSFHLSA-N	275.352	1.818	10	20	CDCD	
CCOCc1cc(CN[C@@H](C)CNC)ccc1OC	853248615	HWEDRCZLDSXQSG-LBPRGKRZSA-N	266.385	1.929	10	20	CDCD	
Cc1ccc(C(=O)N2C[C@H]3CC[C@H]2[C@H](O)C3)c(O)c1O	925057133	NEDJKBPZLGHGES-ZMLRMANQSA-N	277.320	1.392	10	20	CDCD	
CCN1CCN(Cc2cc(Cl)ccc2O)CC1=O	758016034	UISUDFWKQNWUOQ-UHFFFAOYSA-N	268.744	1.710	10	20	CDCD	
CCN1CC[C@@H](NC(=O)N[C@H](C)c2ccccc2O)C1=O	868588532	LFXGAEBMZQONCQ-ZYHUDNBSSA-N	291.351	1.373	10	20	CDCD	
Cc1nc2ccnn2c(C)c1C(=O)NCc1ccccc1O	761956356	GKHLRTKJXPURDW-UHFFFAOYSA-N	296.330	1.982	10	20	CDCD	
COCCN(C)C(=N)NCc1c(O)ccc2c1CCCC2	871604678	HAVRANOOICBHGG-UHFFFAOYSA-N	291.395	1.874	10	20	CDCD	
CC[C@@H]1CN(Cc2cc3c(cc2O)OC[C@@H]3O)CCO1	768441871	PTHWYVRUQWGSOU-RISCZKNCSA-N	279.336	1.429	10	20	CDCD	
CCN[C@H](C)C(=O)NCCCSc1nccs1	876662685	QIFIJHXICVMDHL-SECBINFHSA-N	273.427	1.740	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1C(=O)NC(C)(C)C1=O	777655041	CUHQVUHHFQHGBK-UHFFFAOYSA-N	275.352	1.891	10	20	CDCD	
CC[C@](C)(O)CNCc1ccc(N2CCN(C)CC2)cc1	771830401	QKKMVVUKIHQZQB-KRWDZBQOSA-N	291.439	1.689	10	20	CDCD	
COC[C@](C)(O)CN[C@H](C)c1c(O)cccc1F	886526417	LXODGMJUGRTZLV-NOZJJQNGSA-N	257.305	1.579	10	20	CDCD	
CCCN1CCC(NC(=O)c2c(F)ccc(O)c2O)CC1	789943763	FLJPUYPNBZABFY-UHFFFAOYSA-N	296.342	1.841	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N2C[C@H]3C[C@]3(CO)C2)cc1	782920063	YPTGSUWUDZPCBV-CZUORRHYSA-N	289.379	1.276	10	20	CDCD	
CCn1cc(C(=O)OCC(=O)c2ccc(O)c(O)c2)cn1	783670831	AAWMJVIFZMNWTR-UHFFFAOYSA-N	290.275	1.354	10	20	CDCD	
COc1cc(C)cc(CN2CC[C@@H](CO)C2)c1O	893985315	BBYYUMUJFPKKGH-LLVKDONJSA-N	251.326	1.523	10	20	CDCD	
COc1ccc(CN[C@H](C)C[S@@](C)=O)c(O)c1OC	893527451	YHDOSGMMZPIDFX-AYLIAGHASA-N	287.381	1.266	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC[C@@]2(O)CCN(C)C2)c1	702575087	VWCYAEMCJLBLRY-ABAIWWIYSA-N	280.368	1.118	10	20	CDCD	
Cc1ccc([C@H](C)NC[C@@]2(O)CCN(C)C2)c(O)c1	702637005	RJKPIHJOWGKFDJ-WFASDCNBSA-N	264.369	1.418	10	20	CDCD	
COC(=O)N1CCC[C@@H](NC(=O)c2cccc(O)c2O)C1	790627405	OQSWFFGOTBNNRZ-SECBINFHSA-N	294.307	1.058	10	20	CDCD	
CC[C@H](C)[C@@H](OC)C(=O)NCc1ccc(O)c(O)c1	793691050	ZTNDJFPIDTZPQV-TVQRCGJNSA-N	267.325	1.775	10	20	CDCD	
C[C@@H]1CCC[C@@H]1NC(=O)C(=O)N(C)Cc1ccccc1O	1328664581	XYSZJEPYFIWXSZ-YPMHNXCESA-N	290.363	1.655	10	20	CDCD	
Cc1ccc(O)c([C@H](C)NCc2nnc3n2CCOC3)c1	1321028135	LJYARAQZECPMLF-NSHDSACASA-N	288.351	1.673	10	20	CDCD	
CC[C@H]1CCCN1C(=O)C(=O)N(C)Cc1ccccc1O	1324709478	BZYYBRONRAWCQQ-ZDUSSCGKSA-N	290.363	1.752	10	20	CDCD	
C[C@@]1(C(=O)NCc2cccc(O)c2O)CCCOC1	1347234771	QANGVOUFBPRCPB-CQSZACIVSA-N	265.309	1.531	10	20	CDCD	
CCOCC(=O)CSc1ncc(C(=O)O)s1	1605619106	SHLJKUOEZHCQCX-UHFFFAOYSA-N	261.324	1.539	10	20	CDCD	
O=C(NC1(C(=O)O)CCSCC1)c1cccc(O)c1O	1608405932	AYGADUOLBZUJER-UHFFFAOYSA-N	297.332	1.178	10	20	CDCD	
Cc1cc(C(=O)NCc2ccc(O)cc2O)oc1C(=O)O	1600094120	BJTRMPBRYCPEEF-UHFFFAOYSA-N	291.259	1.627	10	20	CDCD	
Cc1ccc(C(=O)N2CCCCC[C@H]2C(=O)O)c(O)c1O	1610484447	ZRMXQLHTOWSVEG-NSHDSACASA-N	293.319	1.876	10	20	CDCD	
O=C(CC1=CCOCC1)NCc1cccc(O)c1O	1548791513	HDBOIRSHNXQLRG-UHFFFAOYSA-N	263.293	1.451	10	20	CDCD	
CN(C)c1cc(F)c(CNCC2(N)CC2)cc1F	1578423207	RQXXJOGPLYSSAS-UHFFFAOYSA-N	255.312	1.612	10	20	CDCD	
Nc1ccc(CNC(=O)c2cnn(-c3cccnc3)c2)cc1	1580445421	CGBIVLJUDQIQFK-UHFFFAOYSA-N	293.330	1.780	10	20	CDCD	
C[C@H](CC(=O)O)CC(=O)NCc1c(O)cccc1O	1592387941	IGYLJYNPBOSFHB-QMMMGPOBSA-N	267.281	1.215	10	20	CDCD	
Clc1cnc(Sc2nccnc2-c2nn[nH]n2)s1	1592538273	JMZWXEOUWCOXLY-UHFFFAOYSA-N	297.756	1.918	10	20	CDCD	
COc1cc(CN2CCn3cnnc3C2)c(O)cc1C	160180452	BVAJHXWLHXQNDN-UHFFFAOYSA-N	274.324	1.317	10	20	CDCD	
CCN(C)C(=O)[C@H](C)NCc1ccc2c(c1)CCCO2	922047093	XZGLKCBRMNKKBV-LBPRGKRZSA-N	276.380	1.968	10	20	CDCD	
Cc1ccc(CN(C)[C@H]2CCCCNC2=O)c(O)c1	876654646	LFLFIMKQDZVOSM-ZDUSSCGKSA-N	262.353	1.801	10	20	CDCD	
COc1ccc(O)c([C@H](C)NCCC(=O)NC(C)C)c1	135728447	DHVOKBWOIZYMMH-NSHDSACASA-N	280.368	1.966	10	20	CDCD	
C[C@H](C[S@@](C)=O)N(C)Cc1cc(F)ccc1O	130872366	SDDNZXWSWPBPCH-XLFHBGCDSA-N	259.346	1.730	10	20	CDCD	
C[C@@H](NC[C@@H]1COCCO1)c1ccc(N(C)C)cc1	38060939	NUBZLKHHZJRSJY-IUODEOHRSA-N	264.369	1.819	10	20	CDCD	
COc1ccc(O)c(CN(C)C2(CN)CCC2)c1	385292852	IMXQOVCJAVVEAR-UHFFFAOYSA-N	250.342	1.714	10	20	CDCD	
CN(Cc1ccccc1O)S(=O)(=O)c1cncc(F)c1	394908832	WKTPQQNYZKRBPK-UHFFFAOYSA-N	296.323	1.747	10	20	CDCD	
COCCN(C)C(=O)NCc1ccc(N(C)C)cc1	56346554	PCAKJPYEXOCGPZ-UHFFFAOYSA-N	265.357	1.540	10	20	CDCD	
CC[C@@](C)(O)CNC(=O)c1ccc(C)c(O)c1O	182531931	QRZNNSQUCPJIJM-CYBMUJFWSA-N	253.298	1.297	10	20	CDCD	
CCCN1CCCN(Cc2cccc(OC)c2O)CC1=O	189211940	BTIXNIIIDQBXEA-UHFFFAOYSA-N	292.379	1.845	10	20	CDCD	
CC[C@H](CCO)CNC(=O)c1ccc(C)c(O)c1O	182591950	WPQBFXDYMDLXQN-SNVBAGLBSA-N	267.325	1.545	10	20	CDCD	
CCC(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1	188118643	OGUDTJRUDLVEIR-UHFFFAOYSA-N	289.379	1.381	10	20	CDCD	
CCCCNC(=O)c1cc(NS(C)(=O)=O)ccc1O	48923578	NIICXTDHXUXOCK-UHFFFAOYSA-N	286.353	1.294	10	20	CDCD	
Cc1cc(O)c(CNC[C@]2(O)CCO[C@@H]2C)cc1C	278566668	DCMAWTIOJARLPY-IUODEOHRSA-N	265.353	1.639	10	20	CDCD	
CO[C@@H](C)CN(C)C(=O)/C=C/c1ccc(O)c(O)c1	286201309	ASFWVYHGKOUDAS-STUBTGCMSA-N	265.309	1.604	10	20	CDCD	
COc1ccc(N2CCN(Cc3c[nH]nn3)CC2)cc1F	296855379	UPWFEFACICCKKR-UHFFFAOYSA-N	291.330	1.275	10	20	CDCD	
Cc1ccc(C(=O)NCc2cnn3ccccc23)c(O)c1O	804445838	QLLAOKLQSPMAIY-UHFFFAOYSA-N	297.314	1.984	10	20	CDCD	
C[C@@H](NC(=O)c1c(F)ccc(O)c1O)[C@@H]1CCCCO1	294888600	GEHBUEIPAIUHRD-KCJUWKMLSA-N	283.299	1.924	10	20	CDCD	
CC1(C)CNC(=O)CN1Cc1cc(Cl)ccc1O	800538811	CJSSDTVMQCIOHS-UHFFFAOYSA-N	268.744	1.756	10	20	CDCD	
CO[C@H](C(=O)NCCc1ccc(N)cc1)c1cnn(C)c1	818544700	IBOLBDJJPIPBTG-AWEZNQCLSA-N	288.351	1.049	10	20	CDCD	
CO[C@@H]1COCC[C@@H]1CNCc1ccccc1O	824709325	PADLGEAHQPRRQI-TZMCWYRMSA-N	251.326	1.533	10	20	CDCD	
O=C(NCCCSc1nccs1)[C@]1(F)CCNC1	829528675	VDTZDMVLSPIIAY-NSHDSACASA-N	289.401	1.443	10	20	CDCD	
COCCN(CCO)Cc1cc(Cl)c(C)cc1O	824694026	KUDCRTAJWBOQLN-UHFFFAOYSA-N	273.760	1.795	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccnc2ccnn12	588408005	RAMOOESIFNYTNV-RQOWECAXSA-N	296.286	1.792	10	20	CDCD	
Cc1cnc2c(c1)N(C(=O)/C=C\c1cn(C)cn1)CCN2	827560303	PLPDLSLCBARGEJ-ARJAWSKDSA-N	283.335	1.595	10	20	CDCD	
Cn1cc(NC(=O)NCc2ccccc2O)cc1C(=O)O	833049434	OALPONTUEDFEKA-UHFFFAOYSA-N	289.291	1.751	10	20	CDCD	
O=C(O)[C@@]1(F)CCN(Cc2cc3c(cc2O)OCO3)C1	833176410	YTZNLVPNUMZUCH-CYBMUJFWSA-N	283.255	1.120	10	20	CDCD	
CCOC[C@H](O)CN1CCCc2cc(OC)cc(OC)c21	839656141	IFSXPNCYDZXUMF-CYBMUJFWSA-N	295.379	1.854	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@H](NC(=O)O)C(C)C)c1	738044892	TZNAWSFYDHPHSH-GFCCVEGCSA-N	296.323	1.309	10	20	CDCD	
CC(C)N1CCC(C(=O)NCc2ccc(O)cc2O)CC1	910943433	CKUBXYBRDGHRGG-UHFFFAOYSA-N	292.379	1.834	10	20	CDCD	
C[C@@H](Cn1ccnc1)NC(=O)NCCc1ccc(N)cc1	841506461	XHZTWEWICXVTFQ-LBPRGKRZSA-N	287.367	1.396	10	20	CDCD	
COc1ccc(N(C)CCN(C)C(=O)[C@@H](C)[C@H](C)N)cc1	846695743	AEDBDZFAALQCJN-STQMWFEESA-N	293.411	1.573	10	20	CDCD	
NC(=O)Nc1ccc(CNC(=O)Cc2ccc(N)cc2)cc1	746410490	GTANQACMNWZZOQ-UHFFFAOYSA-N	298.346	1.618	10	20	CDCD	
CCOc1ccc(CN2CC[C@H]3NCC[C@H]3C2)c(O)c1	843126290	HUHPEXPCRMPPEG-SWLSCSKDSA-N	276.380	1.975	10	20	CDCD	
CCC(CC)(CO)C(=O)NCc1cc(OC)ccc1O	847590721	FLZWYYVBLRDQBE-UHFFFAOYSA-N	281.352	1.816	10	20	CDCD	
COc1cccc([C@@H](C)N[C@@H](C)c2ncnn2C)c1O	846167219	ULGRVPJKYFYIRM-ZJUUUORDSA-N	276.340	1.941	10	20	CDCD	
C[C@@H](C1CC1)N(C)S(=O)(=O)NCCc1ccc(N)cc1	842822280	CHEFMORQJISGTP-NSHDSACASA-N	297.424	1.376	10	20	CDCD	
CC(C)n1cnc(S(=O)(=O)NCc2ccccc2O)c1	754021966	MDXCDCFOQDKOLQ-UHFFFAOYSA-N	295.364	1.648	10	20	CDCD	
CC(=O)N[C@@H](C)C(=O)N[C@H](C)c1ccccc1O	827917335	MDMBWJHWLHTNKM-BDAKNGLRSA-N	250.298	1.094	10	20	CDCD	
CN(C)[C@@H]1CCC[C@H]1NC(=O)c1c(F)ccc(O)c1O	857184288	ARNPOLAQMWCUGZ-NXEZZACHSA-N	282.315	1.449	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1ncnn1C	853799846	ODJFOGSQVNGTJH-UHFFFAOYSA-N	273.340	1.153	10	20	CDCD	
CNC(=O)[C@H]1CCC[C@H]1NCc1ccc(N(C)C)cc1	765799991	ZYPKEWBHKGPNFV-LSDHHAIUSA-N	275.396	1.757	10	20	CDCD	
CC[C@@H](CO)NCc1cc(F)cc(C(C)=O)c1O	931769067	VQLSEHIXKMIXEV-NSHDSACASA-N	255.289	1.594	10	20	CDCD	
C[C@@H]1C[C@H](NC(=O)N[C@H](C)c2ccccc2O)CO1	868741263	PHHDARKSHWLONZ-MXWKQRLJSA-N	264.325	1.930	10	20	CDCD	
CCOc1ccc(O)c(CNCc2csnn2)c1	1119247263	XYQVTYZJVJNSIU-UHFFFAOYSA-N	265.338	1.932	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)N[C@H]2CC[C@H](O)CC2)c1	875417827	PJFUKRGDLZHNLP-JOCQHMNTSA-N	278.352	1.803	10	20	CDCD	
Cc1cccc(O)c1CN1CC[C@H](CN2CCOCC2)C1	876768491	WIDYZQYBANPBSQ-OAHLLOKOSA-N	290.407	1.855	10	20	CDCD	
C[C@@H](NC(=O)c1n[nH]c2c1CNCC2)c1ccccc1O	870988790	ZMOQDCHKFAKQLQ-SECBINFHSA-N	286.335	1.252	10	20	CDCD	
CC[C@@]1(O)CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1	870680805	NDZMTHMHMQOIGS-BIENSFFJSA-N	291.347	1.875	10	20	CDCD	
C[C@H]1C[C@@H](CNC(=O)NCc2ccc(N)cc2)CCO1	1120527425	RPIZYVNMZIDIKC-AAEUAGOBSA-N	277.368	1.883	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2ccc3nc[nH]c3n2)c1	770553737	MBHLSKQEVDKWER-UHFFFAOYSA-N	298.302	1.602	10	20	CDCD	
COC(=O)COc1ccc(N(C)Cc2cn(C)nn2)cc1	784567679	ZYCBLZPZGSDTAY-UHFFFAOYSA-N	290.323	1.003	10	20	CDCD	
C[C@H](O)C[C@H](C)NCc1ccc(N2CCN(C)CC2)cc1	782977472	FXLIGSLJVDWBJP-GJZGRUSLSA-N	291.439	1.687	10	20	CDCD	
C[C@H](NC[C@H](O)CN1CCCC1)c1c(O)cccc1F	886511450	UHJDJKYGBABKAU-RYUDHWBXSA-N	282.359	1.639	10	20	CDCD	
COc1cc(C)cc(CN(C)CC(C)(CO)CO)c1O	894033923	JSHMFIATOJLHHT-UHFFFAOYSA-N	283.368	1.132	10	20	CDCD	
COC(=O)[C@@H]1CCN(Cc2cc3c(cc2O)OCO3)[C@H]1C	787246030	PUQLAWNGRSHJJV-GXSJLCMTSA-N	293.319	1.504	10	20	CDCD	
C[C@@H](NC(=O)N[C@@H]1CCCNCC1)c1ccccc1O	892081810	FBEQGNQJWNNBGL-VXGBXAGGSA-N	277.368	1.895	10	20	CDCD	
COc1cccc(CN2CCS(=O)(=O)[C@H](C)[C@H]2C)c1O	93560150	USUCHGCACZTXBD-GHMZBOCLSA-N	299.392	1.408	10	20	CDCD	
COC(=O)CN(Cc1ccc(OC)c(OC)c1O)C1CC1	892218395	VUMXCPWKOQNHDM-UHFFFAOYSA-N	295.335	1.547	10	20	CDCD	
COc1cc(Cl)cc(CNC[C@@H]2CCN2C)c1O	712541920	GVPLJCDYNNPOLS-NSHDSACASA-N	270.760	1.848	10	20	CDCD	
Nc1ccc(CNC(=O)N[C@@H]2CCN(CC3CC3)C2)cc1	1335664441	BZAZWMMKNQMXGB-OAHLLOKOSA-N	288.395	1.552	10	20	CDCD	
CSC1(CNC(=O)NCc2ccc(N)cc2)CC1	1346647668	JGPYLRMWZYIXGV-UHFFFAOYSA-N	265.382	1.964	10	20	CDCD	
COc1cccc(CNC(=O)NCCC(F)F)c1O	1349588499	BMRGTYWXEPMLHN-UHFFFAOYSA-N	274.267	1.855	10	20	CDCD	
CN1CCCC[C@@H]1CNC(=O)NCc1ccc(N)cc1	1262602537	DXHQBBDYMVFBPV-CQSZACIVSA-N	276.384	1.552	10	20	CDCD	
Cc1oc(C(=O)O)cc1COc1cccc(CC(N)=O)c1	1600831507	BKEBPDMGKFTHQX-UHFFFAOYSA-N	289.287	1.893	10	20	CDCD	
O=C(O)c1ccc(CN2Cc3cccc(O)c3C2)[nH]1	1602340028	VMFGMZDRCYKTSN-UHFFFAOYSA-N	258.277	1.934	10	20	CDCD	
COC(=O)COc1ccc(N(C)C/C=C(\C)C(=O)O)cc1	1606473143	DRWLHLKINYMMMQ-DHZHZOJOSA-N	293.319	1.706	10	20	CDCD	
C[C@](O)(CNCc1cc(Cl)c(F)cc1O)C(=O)O	1589147529	VADNDUJLYJINKR-NSHDSACASA-N	277.679	1.110	10	20	CDCD	
C[C@@H](NS(=O)(=O)C1(C(=O)O)CCC1)c1ccccc1O	1599841692	DSYAQJFGNBTEJT-SECBINFHSA-N	299.348	1.380	10	20	CDCD	
COCCC[C@H](NCc1ccc2c(c1)CCCO2)C(=O)O	1777205054	VQJYSMFCVBAQDN-AWEZNQCLSA-N	293.363	1.981	10	20	CDCD	
COc1cccc(CNCc2ccc(C(=O)O)cc2O)n1	1777380098	MQCPZVAMRVKKEP-UHFFFAOYSA-N	288.303	1.784	10	20	CDCD	
CN(C)CC[C@@H](NCc1ccc(N(C)C)cc1)C(=O)O	1777030458	VXFSDOHFQKOGRX-CQSZACIVSA-N	279.384	1.247	10	20	CDCD	
CC(C)NC(=O)CCCC(=O)Nc1ccc(N)cc1	160370428	MPAOJGFCZXSTBQ-UHFFFAOYSA-N	263.341	1.902	10	20	CDCD	
Cc1ccc(O)c(CN2CC[C@H](OC(=O)N(C)C)C2)c1	824576531	NFHWBRGFHKKOQB-ZDUSSCGKSA-N	278.352	1.973	10	20	CDCD	
C[C@@H](NC(=O)CCn1ccnn1)c1ccccc1O	827922972	FZXDRMFQHSVDCJ-SNVBAGLBSA-N	260.297	1.251	10	20	CDCD	
O=C(NCc1ccccc1O)[C@@H]1C[C@]12CCCNC2	848426270	BTOXSUUUROEHAL-WFASDCNBSA-N	260.337	1.398	10	20	CDCD	
CNC(=O)C[C@@H](C)NCc1ccc2c(c1)CCCN2C	269002689	LYEGADUUXLIYQH-GFCCVEGCSA-N	275.396	1.683	10	20	CDCD	
C[C@@H]1CCCCN1S(=O)(=O)N(C)Cc1ccccc1O	269753303	APQOOQDPOOTBGL-GFCCVEGCSA-N	298.408	1.943	10	20	CDCD	
CN(Cc1cc2c(cc1O)OCO2)C[C@@H]1CCOC1	176088360	IAKQSHZOSXBHCP-JTQLQIEISA-N	265.309	1.589	10	20	CDCD	
CN(Cc1ccccc1O)S(=O)(=O)C[C@H]1CCCO1	178609581	DDEQHECCKAJSEV-GFCCVEGCSA-N	285.365	1.333	10	20	CDCD	
C[C@H](NCC(=O)N1CCOCC1)c1ccc(F)cc1O	181233003	PDMJNKDGSDNFNH-JTQLQIEISA-N	282.315	1.041	10	20	CDCD	
CCNC(=O)C(C)(C)NCc1cccc(OCC)c1O	312877359	LSZKZCZPNOCIFN-UHFFFAOYSA-N	280.368	1.795	10	20	CDCD	
CCCN(CC(N)=O)Cc1cccc(OCC)c1O	389118056	QXKHMKLVCRQCAK-UHFFFAOYSA-N	266.341	1.488	10	20	CDCD	
CCCN1CC[C@H](NCc2cc(OC)ccc2O)C1	389169786	NMKHYENZTHZERW-ZDUSSCGKSA-N	264.369	1.975	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)c(O)c1O	179514350	AFPZIIGSXDERTG-GDLCADMTSA-N	291.347	1.950	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCCC1	66697055	UBDYHFDEVXUOQF-UHFFFAOYSA-N	275.396	1.807	10	20	CDCD	
CN(C)c1ccc(CNCCN2CCOC(C)(C)C2)cc1	171767112	ZGXDHZCDTHKXHK-UHFFFAOYSA-N	291.439	1.953	10	20	CDCD	
COC[C@H]1CN(Cc2ccc(N(C)C)cc2)C[C@@H](C)O1	188341235	AGIOCKOAVTXEAR-CZUORRHYSA-N	278.396	1.988	10	20	CDCD	
CCOC(=O)N1CC[C@H](NCc2cc(OC)ccc2O)C1	186475264	JTCGLAMBAIVJHQ-LBPRGKRZSA-N	294.351	1.721	10	20	CDCD	
COc1ccc(CN[C@@H]2CCS(=O)(=O)C2)cc1C	35052738	OSUUMWDAUDEBSS-GFCCVEGCSA-N	269.366	1.280	10	20	CDCD	
COC(=O)[C@@H](C)N[C@@H](C)c1cc(OC)ccc1O	42304248	UWMPCXGOQCUURT-DTWKUNHWSA-N	253.298	1.613	10	20	CDCD	
CC(C)C(=O)NCCNC(=O)N(C)Cc1ccccc1O	43312730	KWVUIYTUKPSWSS-UHFFFAOYSA-N	293.367	1.306	10	20	CDCD	
CC1(C(=O)NCCc2ccc(N)cc2)CCOCC1	818546052	BTDVMMSEZULEEH-UHFFFAOYSA-N	262.353	1.744	10	20	CDCD	
CNC(=O)C[C@H](C)NCc1ccc(N(C)C)c(F)c1	269051948	WCEFGQOXBCVMSN-JTQLQIEISA-N	267.348	1.506	10	20	CDCD	
CN(CC(=O)OC(C)(C)C)Cc1cc2c(cc1O)OCO2	265725839	OMVYPDBNVGHCDU-UHFFFAOYSA-N	295.335	1.894	10	20	CDCD	
CN1CCCC12CCN(C(=O)c1cccc(O)c1O)CC2	365759119	RHQZWTCEDOWPAH-UHFFFAOYSA-N	290.363	1.798	10	20	CDCD	
COC[C@@H](CCO)N[C@H](C)c1ccc(F)c(F)c1O	276988433	XCRDUVJADNAJFA-RKDXNWHRSA-N	275.295	1.718	10	20	CDCD	
CN(C)c1ccc(CN2C(=O)NC(C)(C)C2=O)cc1	272153274	UYPUUJJIUWKEPE-UHFFFAOYSA-N	261.325	1.583	10	20	CDCD	
COc1cc(O)c(CNC[C@]2(O)CCO[C@H]2C)cc1OC	279426890	NUQHWTBVRMFIIR-ZUZCIYMTSA-N	297.351	1.039	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN(C)C[C@H]2CCOC2)c1O	278197609	IQTFIQGNEQHZHM-SNVBAGLBSA-N	296.323	1.777	10	20	CDCD	
CO[C@H](CNC(=O)c1ccc(C)c(O)c1O)C(C)C	272758278	PSUMZHDFQDQQDE-LLVKDONJSA-N	267.325	1.807	10	20	CDCD	
Cc1ccc(O)c(CN2CCn3cnnc3[C@@H]2C)c1	276827093	QLRMMRCILGAXSH-NSHDSACASA-N	258.325	1.869	10	20	CDCD	
OC[C@@H]1CC[C@H](CN[C@@H]2CCc3cccc(O)c32)O1	297470275	YOAWKDMTSVSXOI-FRRDWIJNSA-N	263.337	1.509	10	20	CDCD	
Cc1ccc(O)c(CN2CC[C@@H](N3CCOCC3)[C@H]2C)c1	291605098	QRPLXJCVKXLWPH-GDBMZVCRSA-N	290.407	1.996	10	20	CDCD	
CCO[C@@H]1C[C@H](NC(=O)c2c(F)ccc(O)c2O)[C@H]1OC	295018054	UEJOWEJNSPNLGD-IYYTYJHQSA-N	299.298	1.159	10	20	CDCD	
CCN(C)c1ccc(CN[C@@H]2C(=O)NCC[C@@H]2C)cc1	815108532	YXZQBGLJRWGSMQ-WFASDCNBSA-N	275.396	1.757	10	20	CDCD	
Cc1cccc(CN[C@@H]2CCc3nnnn3CC2)c1O	817419192	QTRSVXUANXZGQH-GFCCVEGCSA-N	273.340	1.182	10	20	CDCD	
COC[C@H](C)[C@@H](C)C(=O)NCc1ccc(O)c(O)c1	813491433	XMUVMMCAYVKKPC-VHSXEESVSA-N	267.325	1.633	10	20	CDCD	
Cc1cc(CN2CCN3C(=O)CC[C@H]3C2)ccc1N(C)C	815081123	SIFDORPTTUJPOL-HNNXBMFYSA-N	287.407	1.868	10	20	CDCD	
CN(Cc1cn(C)nn1)Cc1cc(Cl)c(F)cc1O	827305544	VRRPVTHRVCXZRD-UHFFFAOYSA-N	284.722	1.945	10	20	CDCD	
CCC(=O)C1(C(=O)NCc2cc(OC)ccc2O)CC1	825840076	PTJMUZWIGXTDRB-UHFFFAOYSA-N	277.320	1.776	10	20	CDCD	
Cn1nnc2cc(C(=O)NCc3ccccc3O)ccc21	729530051	UREARLGKTKYMKR-UHFFFAOYSA-N	282.303	1.604	10	20	CDCD	
CC(C)(C)N1CC[C@@H]1C(=O)NCc1ccc(O)c(O)c1	901130597	DKZSHAGIJZYYGF-LLVKDONJSA-N	278.352	1.587	10	20	CDCD	
Cc1cc(CN2CCOC[C@H]2CC(N)=O)ccc1N(C)C	832751174	OERWUMKHNIQPNQ-CQSZACIVSA-N	291.395	1.137	10	20	CDCD	
COc1cccc([C@@H](C)NCc2cn(C)cn2)c1O	903352559	VFDBLZOPLCPEQH-SNVBAGLBSA-N	261.325	1.985	10	20	CDCD	
C[C@H]1CSC[C@@H]1NC(=O)c1c(F)ccc(O)c1O	831867195	WYDGMJGZBQWTHY-XPUUQOCRSA-N	271.313	1.718	10	20	CDCD	
COCCOCCNCc1cc(OC)ccc1O	44693980	QDVCLLOPIJCQJE-UHFFFAOYSA-N	255.314	1.153	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1COC[C@@H]1C	919081291	JWTLWEKPQUNKRQ-SWLSCSKDSA-N	291.395	1.895	10	20	CDCD	
CCN(CC)C(=O)NC[C@H](N)c1ccc(N(C)C)cc1	842784659	KJODMXFIFQIHKV-AWEZNQCLSA-N	278.400	1.804	10	20	CDCD	
COC(=O)[C@H](C)N(C)CCN(C)c1ccc(OC)cc1	844399435	JCGCMWGOTHFXPO-LBPRGKRZSA-N	280.368	1.625	10	20	CDCD	
COC(=O)c1cnc(SCC[C@@H]2CCNC2=O)s1	848439570	RZMMBRPASZWICN-ZETCQYMHSA-N	286.378	1.548	10	20	CDCD	
CCN[C@H](C)CNC(=O)NCc1ccc(N(C)C)cc1	841654903	QHSVVLIJQUOACH-GFCCVEGCSA-N	278.400	1.550	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1CCNC(=O)C[C@@H]1C	840945724	WHAGWCFYXZXTSE-ZDUSSCGKSA-N	275.396	1.771	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)N[C@@H]2COC[C@H]2OC)c1	842912456	SIEYAGNIRJMYIO-GAJTVXKRSA-N	295.335	1.243	10	20	CDCD	
COC[C@H]1C[C@@H](O)CN1Cc1cc(Cl)c(F)cc1O	846052090	ALQYEHUEPWKEKY-NXEZZACHSA-N	289.734	1.766	10	20	CDCD	
Cc1ccc(C(=O)OCCOC2CC2)c(O)c1O	922401156	IUWDLPCUQHDVCZ-UHFFFAOYSA-N	252.266	1.742	10	20	CDCD	
CCN1C[C@H](CNC(=O)c2ccc(C)c(O)c2O)CC1=O	846461955	FNIAUANKMLSJOT-JTQLQIEISA-N	292.335	1.004	10	20	CDCD	
COC[C@@H](C)N[C@H](C)c1cc([N+](=O)[O-])ccc1O	756343246	WGGCISKTFZGCNE-RKDXNWHRSA-N	254.286	1.986	10	20	CDCD	
CCOc1ccc(CN[C@H]2CCCS(=O)(=O)C2)c(O)c1	754888695	FNDFUKGSDIPWBF-LBPRGKRZSA-N	299.392	1.458	10	20	CDCD	
Nc1ccc(CN2CCc3nnc(O)cc3C2)cc1	1352790703	SOWRJEBOXGCZDW-UHFFFAOYSA-N	256.309	1.323	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NCc2nc(C)no2)c1	858277163	JLCICWJKWQZKBM-UHFFFAOYSA-N	276.296	1.391	10	20	CDCD	
O=C(NCC(=O)C1CCCC1)c1cccc(O)c1O	863057476	AKAAUOGCVIEFDU-UHFFFAOYSA-N	263.293	1.587	10	20	CDCD	
CCN(CCN)C(=O)NCc1ccc(N2CC=CC2)cc1	861589706	FBYVBVGHJPGRKB-UHFFFAOYSA-N	288.395	1.553	10	20	CDCD	
CC[C@H](NC(C)=O)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	867302357	OIFNVKSKUXGQIC-SKDRFNHKSA-N	294.351	1.060	10	20	CDCD	
CCn1ccnc(NCc2cc(C)ccc2O)c1=O	1118863806	CLBVOYHERDFXHE-UHFFFAOYSA-N	259.309	1.889	10	20	CDCD	
COC(=O)[C@@H]1[C@H]2CN(Cc3ccc(C)cc3O)C[C@H]21	877547537	ZSXPTQJGBYXEJJ-IMRBUKKESA-N	261.321	1.551	10	20	CDCD	
CN[C@H](C)CCNCc1cc2c(cc1O)OCO2	1118020078	UJQZKTZNIVDXTD-SECBINFHSA-N	252.314	1.209	10	20	CDCD	
CCCN[C@H](C)C(=O)N[C@H](C)c1ccccc1O	870988762	ZASCADMLFSJWFF-GHMZBOCLSA-N	250.342	1.958	10	20	CDCD	
Nc1ccc(NC(=O)C(=O)N2CC[C@@H](CF)C2)cc1	883616768	RQSOCCKKNKNCKU-VIFPVBQESA-N	265.288	1.025	10	20	CDCD	
C[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1cnn(C)c1	779483741	FZPSAWSDOQXVIW-AYYIZTPMSA-N	287.319	1.722	10	20	CDCD	
CON(C)CCNCc1ccc(N2CCC(O)CC2)cc1	883171115	OTUZVYAPEJSYKB-UHFFFAOYSA-N	293.411	1.231	10	20	CDCD	
C[C@@H](C(=O)N(C)Cc1ccccc1O)[C@H](C)S(C)(=O)=O	788284192	ULUSUGJMVDOVHR-MNOVXSKESA-N	299.392	1.420	10	20	CDCD	
CO[C@]1(C(=O)Nc2ccc(N)cc2)CCSC1	884008765	BAFAHXKNWFAKPI-GFCCVEGCSA-N	252.339	1.729	10	20	CDCD	
COc1cc(C)cc(CNCCc2n[nH]c(C)n2)c1O	894429292	DBKPHNLISJTICB-UHFFFAOYSA-N	276.340	1.468	10	20	CDCD	
CC[C@@H](C)OCC(=O)OCC(=O)c1ccc(O)c(O)c1	784335510	BETVWOXVYKFQIN-SECBINFHSA-N	282.292	1.639	10	20	CDCD	
COc1ccc(CNC(=O)[C@H]2CCN2C(C)(C)C)c(O)c1	897628620	GIDQTBCRWKSSSD-CYBMUJFWSA-N	292.379	1.890	10	20	CDCD	
C[C@@H](NC(=O)c1cccc(N)n1)c1ccccc1O	1579414809	PAUJDBYTAPXIJF-SECBINFHSA-N	257.293	1.860	10	20	CDCD	
CC(C)CN(CC(N)=O)Cc1cc(F)cc(F)c1O	708413014	KROOGRMADCNHOJ-UHFFFAOYSA-N	272.295	1.614	10	20	CDCD	
CCc1cccc(CN(C)[C@H]2CCS(=O)(=O)C2)c1O	692091921	PRISCDHCCIPLNM-ZDUSSCGKSA-N	283.393	1.574	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CCNCC2CC2)cc1	717170801	MUCCMISLFXMZMB-UHFFFAOYSA-N	275.396	1.759	10	20	CDCD	
CCN(CC)CCNC(=O)NCc1ccc(OC)cc1O	792761640	FFKWDYPPMJEXIG-UHFFFAOYSA-N	295.383	1.542	10	20	CDCD	
COc1cccc(CNC(=O)NCCC(C)(C)N)c1O	1332564514	MOMYLQFOMMELCF-UHFFFAOYSA-N	281.356	1.327	10	20	CDCD	
COC(=O)CN(Cc1ccc(N)cc1)C1CCOCC1	1334753555	GZGAQTMDERSJNN-UHFFFAOYSA-N	278.352	1.423	10	20	CDCD	
O=C(NCc1cc(Cl)ccc1O)N[C@H]1C[C@H](C(=O)O)C1	1353140258	XEVQEARYXIVAPZ-GVJMRKKJSA-N	298.726	1.708	10	20	CDCD	
O=C(O)[C@@]1(CNCc2cc(F)cc(F)c2O)CCOC1	1608570025	CSOVTTKYVFBNCH-CYBMUJFWSA-N	287.262	1.251	10	20	CDCD	
O=C(O)C[C@@H]1CC[C@H](NC(=O)NCc2ccccc2O)C1	1602112166	PZVSYFMKTQNCRR-PWSUYJOCSA-N	292.335	1.835	10	20	CDCD	
COc1ccc(O)c(CNC(=O)NC2CC(C(=O)O)C2)c1	1607277754	SMOKTQAKZHZMFB-UHFFFAOYSA-N	294.307	1.063	10	20	CDCD	
Cc1ccc(C(=O)N[C@](C)(CC(=O)O)C2CC2)c(O)c1O	1600337677	LXZSFWZPEITKLY-OAHLLOKOSA-N	293.319	1.779	10	20	CDCD	
CC[C@H](N[C@H](C)c1cc(C(=O)O)ccc1O)[C@H](C)O	1595278881	KRVCWBPGJVDGOI-PTRXPTGYSA-N	267.325	1.900	10	20	CDCD	
CC[C@H](NC[C@H](C)OC)c1cccc(-c2nn[nH]n2)c1O	1590469979	NTCMCNZCYDGLEA-CABZTGNLSA-N	291.355	1.648	10	20	CDCD	
C[C@@H](CN(C)C)N[C@H](C)c1cc(C(=O)O)ccc1O	1593352467	AKJPNNCOZRKYEY-VHSXEESVSA-N	266.341	1.691	10	20	CDCD	
C[C@H]1CC[C@@](NC(=O)c2cccc(O)c2O)(C(=O)O)CC1	1599907547	HEIKHVFGGHWGJE-AZKDTHOKSA-N	293.319	1.861	10	20	CDCD	
COc1cc(N(C)CC(C)(C)N)cc(OC)c1OC	258928253	VGBKPYONPBRAHO-UHFFFAOYSA-N	268.357	1.886	10	20	CDCD	
CCOC(=O)C1=NN(c2ccc(F)c(F)c2)C(=O)[C@@H]1C	899360289	HVPZLRKCJYMRDB-SSDOTTSWSA-N	282.246	1.867	10	20	CDCD	
CNC(=O)C[C@@H](C)N[C@H](C)c1ccc(C)cc1O	322670498	FRFMXVWCRQPXLR-GHMZBOCLSA-N	250.342	1.876	10	20	CDCD	
CCc1cccc(CNCCCC(=O)NC)c1O	691480365	BUQLFRCTEQXUSA-UHFFFAOYSA-N	250.342	1.570	10	20	CDCD	
CCc1cccc(CN[C@@H](C)C[S@](C)=O)c1O	691527923	VNWYHGYFISIUNG-BTDLBPIBSA-N	255.383	1.811	10	20	CDCD	
CC(=O)c1cc(Cl)cc(CN(CCO)CCO)c1O	50141779	HVQSDSVDLNBKDQ-UHFFFAOYSA-N	287.743	1.035	10	20	CDCD	
CC(C)(O)CN1CCN(Cc2ccccc2O)CC1	179567792	WZNZGDNFIVWWJC-UHFFFAOYSA-N	264.369	1.281	10	20	CDCD	
CCN1CCN(Cc2ccc(N3CCOCC3)cc2)CC1	112119314	SZZUPTVQGHHHED-UHFFFAOYSA-N	289.423	1.661	10	20	CDCD	
Cc1cc(O)ccc1NS(=O)(=O)c1cnn(C)c1C	291828004	CVRMZLNOUKBYSV-UHFFFAOYSA-N	281.337	1.543	10	20	CDCD	
Nc1ccc(NC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)cc1	237996766	GZXQLPKCPNGAJO-NSHDSACASA-N	287.363	1.998	10	20	CDCD	
CCCOc1ccc(CN[C@H]2CC(=O)N(C)C2)c(O)c1	263782992	WBTBLCJQPTVPKK-LBPRGKRZSA-N	278.352	1.501	10	20	CDCD	
COc1cc(O)c(CNCCC[C@@H](C)CO)cc1OC	271869432	XGDCTXQCGOYHGL-LLVKDONJSA-N	283.368	1.908	10	20	CDCD	
CC[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(OC)c2O)C[C@@H]1O	278565132	BTEGMXPVDCWUAG-SKDRFNHKSA-N	296.323	1.512	10	20	CDCD	
COC(=O)C[C@@H]1COCCN1Cc1cccc(OC)c1O	377834053	IQXFMORTEUCAQB-GFCCVEGCSA-N	295.335	1.165	10	20	CDCD	
c1cnc(CCNCc2ccc(N3CCOCC3)cc2)cn1	390089566	BJQSVRGLJPKGNK-UHFFFAOYSA-N	298.390	1.646	10	20	CDCD	
CN1CCCc2cc(CNC(=O)NCCC(=O)O)ccc21	818482182	KNKYIMZZNSRGAV-UHFFFAOYSA-N	291.351	1.343	10	20	CDCD	
Cc1ccc(O)c(CN2CCC3(CC2)CNC(=O)N3C)c1	822530027	NYSMOLKNQKZOFL-UHFFFAOYSA-N	289.379	1.690	10	20	CDCD	
CCOC(=O)CN(CC[S@](C)=O)Cc1ccccc1O	823576735	WWUNKPSQSXHNNS-FQEVSTJZSA-N	299.392	1.136	10	20	CDCD	
COc1cc(O)ccc1NS(=O)(=O)C[C@H]1CCCO1	901703584	JFTAKXUZAOUBLC-SNVBAGLBSA-N	287.337	1.322	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCC[C@H](N2CCNC2=O)C1	732277498	JJODNAYTDXKJNM-VIFPVBQESA-N	295.364	1.084	10	20	CDCD	
CO[C@@H]1C[C@@H](NC(=O)c2c(F)ccc(O)c2O)C1(C)C	826763999	LUBRKPNTOCWMKE-NXEZZACHSA-N	283.299	1.780	10	20	CDCD	
O=C(/C=C/c1cncc(F)c1)N1CCCc2n[nH]cc21	493614362	QCTDMSBEBDZQFC-ONEGZZNKSA-N	272.283	1.936	10	20	CDCD	
O=C(O)[C@H](O)C1CCN(Cc2cccc(F)c2O)CC1	833771244	YPAJLMVSAMQNPK-CYBMUJFWSA-N	283.299	1.189	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)NCc1ccc[nH]1	588406664	XCKBCNRKJVRVOT-XQRVVYSFSA-N	258.277	1.756	10	20	CDCD	
COCCN(CCC(=O)O)Cc1ccccc1O	901663621	MTBOPMBKQLSMQE-UHFFFAOYSA-N	253.298	1.315	10	20	CDCD	
COc1cccc([C@@H](C)NC[C@@H]2COCCO2)c1O	846142599	FQOJRFJEEQGNQW-GHMZBOCLSA-N	267.325	1.467	10	20	CDCD	
C[C@]1(O)CCCN(C(=O)NCCc2ccc(N)cc2)C1	841960579	SWZOTXSRQGNIOH-HNNXBMFYSA-N	277.368	1.368	10	20	CDCD	
C[C@H](NC(=O)N1CC[C@@H](CN)C1)c1ccc(N(C)C)cc1	841882310	INLBQLGLUMQJJR-STQMWFEESA-N	290.411	1.804	10	20	CDCD	
Nc1ccc(NC(=O)C(=O)N2C[C@H]3CCCC[C@H]3C2)cc1	841138801	XZMGBGDITRZSAK-TXEJJXNPSA-N	287.363	1.856	10	20	CDCD	
CC[C@@H](CCO)CNC(=O)NCCc1ccc(N)cc1	841957858	MMHOKFPMKFPEEG-LBPRGKRZSA-N	279.384	1.519	10	20	CDCD	
COc1cc(O)c(CN(C)CC(C)(C)N)cc1OC	849350748	UXNVCOQSUKINTP-UHFFFAOYSA-N	268.357	1.579	10	20	CDCD	
COc1cc(N(C)C[C@@H]2CCC(=O)N2)cc(OC)c1OC	844300162	MTWKONSMDPDQDU-JTQLQIEISA-N	294.351	1.427	10	20	CDCD	
COc1ccc(CNC(=O)N[C@H](C)CCCN)c(O)c1	841999200	CXVFXDUGAHRTOU-SNVBAGLBSA-N	281.356	1.327	10	20	CDCD	
CCC[C@](C)(CO)NC(=O)NCCc1ccc(N)cc1	841958072	NZDBFRNYYJURFS-OAHLLOKOSA-N	279.384	1.662	10	20	CDCD	
CCN(CC)c1ccc(CN[C@H](CO)[C@@H](C)O)cc1F	842221169	OHNOPSBJFDLEDE-BXUZGUMPSA-N	284.375	1.503	10	20	CDCD	
C[C@H](CCCN)NCc1ccc(N2CCOCC2)c(F)c1	841080149	NZASKHCBVDUROT-CYBMUJFWSA-N	295.402	1.879	10	20	CDCD	
Cc1cc(N(C)C)ccc1C[C@H](C)N[C@H]1CNCCOC1	925689858	ITUVBGJBMZRQNY-HOCLYGCPSA-N	291.439	1.570	10	20	CDCD	
CCN(c1ccc(OC)cc1)[C@H]1CCN(CC(=O)O)C1=O	852725458	GOEAPRRJYMWNOP-ZDUSSCGKSA-N	292.335	1.207	10	20	CDCD	
O=C(NC/C=C/CO)NCc1ccc(N2CC=CC2)cc1	853776160	NIGXKXWOIGLSFL-DAFODLJHSA-N	287.363	1.411	10	20	CDCD	
CC[C@H](C)[C@@H](OC(=O)c1cccc(O)c1O)C(=O)OC	922619192	DLMRNTMOPSTSFG-QPUJVOFHSA-N	282.292	1.842	10	20	CDCD	
Cc1cc(CN2CCO[C@H]([C@@H](C)N)C2)ccc1N(C)C	923297433	PFADTKYYUGAEEY-CJNGLKHVSA-N	277.412	1.609	10	20	CDCD	
CCCOC(=O)[C@H](C)OC(=O)/C=C/c1ccc(O)c(O)c1	759588421	LHSIFEUUUFHVLL-STUBTGCMSA-N	294.303	1.996	10	20	CDCD	
CC[C@@H]1CN(Cc2cc3c(cc2O)OC[C@H]3O)C[C@@H](C)O1	768447269	NXTBZXSBJWEKSM-IXPVHAAZSA-N	293.363	1.817	10	20	CDCD	
CO[C@@H]1CCCN(Cc2cc3c(cc2O)OC[C@@H]3O)C1	768453622	ZYZZBCKGXMANEI-RISCZKNCSA-N	279.336	1.429	10	20	CDCD	
CCN1CCO[C@@H](C(=O)NCc2cc(C)ccc2O)C1	862760971	YFRYQCLRMJWKQM-CQSZACIVSA-N	278.352	1.038	10	20	CDCD	
CN(C)c1cc(F)c([C@@H]2NC(=O)CN2C)cc1F	864373198	FJZPMQUFHMYKJS-GFCCVEGCSA-N	255.268	1.091	10	20	CDCD	
C[C@H](N)CN(C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	861620747	LHLGPXDGEWQJSU-RYUDHWBXSA-N	278.400	1.802	10	20	CDCD	
COCC[C@@H](C)S(=O)(=O)N(C)Cc1ccccc1O	766502936	QFXHNQKCFIYMIW-LLVKDONJSA-N	287.381	1.579	10	20	CDCD	
Cc1ccc(CN2CCN(c3cnn(C)c3)CC2)c(O)c1	876736143	RXKCDPJDKURHKL-UHFFFAOYSA-N	286.379	1.756	10	20	CDCD	
OCCNC1CCN(Cc2cccc(Cl)c2O)CC1	873217386	LCGOWIZSUCWDNR-UHFFFAOYSA-N	284.787	1.592	10	20	CDCD	
COc1ccc(O)c(CNC2CCN(C=O)CC2)c1	774245308	SWWZDRUJAAAQRD-UHFFFAOYSA-N	264.325	1.111	10	20	CDCD	
Cc1cccc(O)c1CNC[C@@H](O)COCC(C)C	876966591	WZDFLUAZAMJIAE-CYBMUJFWSA-N	267.369	1.824	10	20	CDCD	
CCN(CC)c1ccc(CN[C@H]2C[C@H](O)[C@H](O)C2)cc1	886240725	BLOCBSULSFVMOW-MKZZRHPPSA-N	278.396	1.507	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H](CN(C)C)C(C)C)c(O)c1O	780940513	OTYWLXXRKGQICZ-LBPRGKRZSA-N	280.368	1.722	10	20	CDCD	
Cc1ccc(O)c(CN2CCC3(CC2)CNC(=O)O3)c1	783724947	YVVGJTZWKDVCQU-UHFFFAOYSA-N	276.336	1.775	10	20	CDCD	
COc1cc(C)cc(CN2CCNC(=O)[C@@H]2C)c1O	893984948	VPPUTIFDGVZHDB-JTQLQIEISA-N	264.325	1.030	10	20	CDCD	
O=C(OCC(=O)c1nccs1)c1cc(O)cs1	783607401	GUPUZAUQNYJVQD-UHFFFAOYSA-N	269.303	1.950	10	20	CDCD	
OCC[C@H]1CSCCN1Cc1cc(F)cc(F)c1O	894088307	KQJJYXPOSIMDPA-NSHDSACASA-N	289.347	1.970	10	20	CDCD	
CC1(C(=O)OCC(=O)c2ccc(O)c(O)c2)CCOCC1	783387309	AGCDEDHRKQQNRZ-UHFFFAOYSA-N	294.303	1.640	10	20	CDCD	
C[C@@H]1CCCN1CCNC(=O)NCc1ccccc1O	892527861	ZIRKBKGKKXBIHC-GFCCVEGCSA-N	277.368	1.676	10	20	CDCD	
CC1=NO[C@@H](CNCc2cc3c(cc2O)OCO3)C1	895309341	AKTMKSWDRAYZHM-SNVBAGLBSA-N	264.281	1.375	10	20	CDCD	
CN1C(=O)/C(=C\c2cn(C)nn2)c2cc(Cl)ccc21	799502215	WVIYHSUAAMPEMV-WDZFZDKYSA-N	274.711	1.986	10	20	CDCD	
COc1cc(C)cc(CN2C[C@@H]3[C@@H](CO)[C@@H]3C2)c1O	894836385	HSZKXXAYJBSMBW-ITGUQSILSA-N	263.337	1.379	10	20	CDCD	
COc1ccc(CN2C[C@H](O)C[C@H]2C)c(O)c1OC	893949444	NQCDTRCVGWKZCT-MWLCHTKSSA-N	267.325	1.365	10	20	CDCD	
C[C@@H]1OCC[C@@]12CN(C(=O)c1cc(O)cs1)CCO2	792674439	QIUDXXVFLZXXSQ-TVQRCGJNSA-N	283.349	1.474	10	20	CDCD	
Cc1ccc([C@@H](C)NC[C@H]2CN(C)CCN2C)c(O)c1	68800527	KPPGIUKOZPLNFD-KGLIPLIRSA-N	277.412	1.597	10	20	CDCD	
CCN1CCC[C@H](NCc2cccc(OC)c2O)C1=O	722358666	CYMNHQKIHSKOCN-LBPRGKRZSA-N	278.352	1.501	10	20	CDCD	
CCOC(=O)c1cnc(S[C@@H](C)C(=O)O)s1	1591268923	NVVVPRPNKPOOMW-YFKPBYRVSA-N	261.324	1.885	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2cn(C3CC3)nn2)cc1	1328771400	MYXPLFOJFFLSDW-UHFFFAOYSA-N	285.351	1.609	10	20	CDCD	
CCCOc1ccc(CNC[C@@](C)(O)C(=O)O)cc1C	1573859872	FDSPPQLTCPWAQD-OAHLLOKOSA-N	281.352	1.709	10	20	CDCD	
Cc1cc(=NCc2ccccc2O)c(-c2nn[nH]n2)c[nH]1	1592053118	MSUCNEPQWZWMDR-UHFFFAOYSA-N	282.307	1.310	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)[C@@H]1COc2ccccc21	158893389	BKXVZUUDFBJXRX-GFCCVEGCSA-N	285.299	1.890	10	20	CDCD	
CCCc1cc(C(=O)NCc2ccc(O)c(O)c2)[nH]n1	158980789	XKDKWEZGWAVQCN-UHFFFAOYSA-N	275.308	1.703	10	20	CDCD	
CN1CCCc2cc([C@@H](CN)N3CCOCC3)ccc21	34936238	XIOLFPXYYHESOR-MRXNPFEDSA-N	275.396	1.401	10	20	CDCD	
C[C@@H]1C[C@H](C(=O)NCCc2ccc(N)cc2)CCO1	818545155	MCPOOWUOZOTRST-DGCLKSJQSA-N	262.353	1.743	10	20	CDCD	
Cc1cccc(O)c1CN(C)[C@H]1CCS(=O)(=O)C1	876524429	QEDIZJIYVAPXFB-NSHDSACASA-N	269.366	1.320	10	20	CDCD	
CC[C@@H]1CN(C(=O)Cc2ccc(N)cc2)C[C@H](C)O1	236952712	RUWNILMATBCMOL-SMDDNHRTSA-N	262.353	1.837	10	20	CDCD	
O=C(O)CCN(Cc1ccccc1O)C[C@H]1CCCO1	238111426	XLECMWNQRCJCOC-CYBMUJFWSA-N	279.336	1.848	10	20	CDCD	
C[C@H]1CO[C@H](C)CN1Cc1cc2c(cc1O)OCO2	26665265	UHMUUJWNHPGDQI-VHSXEESVSA-N	265.309	1.730	10	20	CDCD	
COc1ccc(O)c(CNCCCC(=O)NC2CC2)c1	92987185	NRYAWNBRIQHDSO-UHFFFAOYSA-N	278.352	1.549	10	20	CDCD	
O=C(CN1C(=O)c2ccccc2C1=O)c1ccc(O)c(O)c1	916590124	NLSKUMNBAQOBIM-UHFFFAOYSA-N	297.266	1.577	10	20	CDCD	
C[C@@H](NCc1nnn(C)n1)c1ccc(N(C)C)cc1	398200355	FEROIKOWBRDHLS-SNVBAGLBSA-N	260.345	1.127	10	20	CDCD	
CCS(=O)(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1	62575121	VYBZSBHCKRUXPO-GFCCVEGCSA-N	298.408	1.461	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)[C@@H](C)NC(C)=O)cc1	79390151	MHZAWXLEIDLUKE-GFCCVEGCSA-N	291.395	1.674	10	20	CDCD	
CCN(Cc1cccc(OC)c1O)[C@H]1CCNC1=O	281833646	SHASPZRFYNNITD-NSHDSACASA-N	264.325	1.111	10	20	CDCD	
COc1cccc(CNC(=O)c2ccc(F)cn2)c1O	183651917	JVQNNEXRSLVILO-UHFFFAOYSA-N	276.267	1.865	10	20	CDCD	
Cn1cnnc1[C@@H]1CCCN1C(=O)c1cccc(O)c1O	193151247	HZDTWURXHPKSHK-JTQLQIEISA-N	288.307	1.204	10	20	CDCD	
CN(C)C(=O)NCc1ccc(N2CCOCC2)cc1	49740552	QJLBBIIKAFZWIP-UHFFFAOYSA-N	263.341	1.294	10	20	CDCD	
Cc1cccc(CN(C)[C@H](C)[C@@H](C)S(C)(=O)=O)c1O	180259662	LHERABFFINPTAN-VXGBXAGGSA-N	285.409	1.954	10	20	CDCD	
CN(Cc1cc2c(cc1O)OCO2)CC(C)(C)O	93414707	CBSPHZSNDCBJEY-UHFFFAOYSA-N	253.298	1.324	10	20	CDCD	
Nc1ccc(CCNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2)cc1	262469432	ZJBARWMJVKJEPY-IMJJTQAJSA-N	287.407	1.848	10	20	CDCD	
CCCOc1ccc(CNCCN(CC)CCO)c(O)c1	274411639	OUXDRNUUCDLKAL-UHFFFAOYSA-N	296.411	1.585	10	20	CDCD	
COC(=O)COc1ccc(N(C)CC(OC)OC)cc1	275440110	JIGATPBGJNXIFP-UHFFFAOYSA-N	283.324	1.294	10	20	CDCD	
C[C@H](NCc1nnc2n1CCC2)c1cc(F)ccc1O	273303120	CCRRNKKHJYJDQA-VIFPVBQESA-N	276.315	1.920	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN(C)[C@H](C)CO)c1O	289422112	JJTILUXOPQWIMM-MRVPVSSYSA-N	270.285	1.122	10	20	CDCD	
CCOC1CN(C(=O)NCc2ccc(N(C)C)cc2)C1	296684910	XRUGQKCPZWDJIS-UHFFFAOYSA-N	277.368	1.683	10	20	CDCD	
COCCNCCN[C@H](C)c1cc(F)cc(F)c1O	817965561	XHRLQIDIIMOYIM-SECBINFHSA-N	274.311	1.557	10	20	CDCD	
CON(C)C(=O)CCNCc1ccc(N(C)C)cc1C	819077187	IXORLVKDFJXKJR-UHFFFAOYSA-N	279.384	1.561	10	20	CDCD	
Cc1cc(O)c(CN[C@@H]2C(=O)NCC[C@H]2C)cc1Cl	825773620	LVHHEEDIWIBTBA-OQPBUACISA-N	282.771	1.968	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2C[C@@H](C)[C@@H](C(=O)O)C2)c1O	825946754	OONDASPRIDYGSH-OQPBUACISA-N	295.310	1.886	10	20	CDCD	
CC[C@H](O)[C@@H](C)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	907272138	FERLPWPWYXLTTC-UMNHJUIQSA-N	281.352	1.552	10	20	CDCD	
CC(C)CN1CCO[C@H](CNC(=O)c2cc(O)cs2)C1	731864089	KSKHYAQUMIARMY-GFCCVEGCSA-N	298.408	1.540	10	20	CDCD	
CO[C@@H](C)C(=O)NCc1ccc(N(C)C)cc1C	734405041	RGJXTWBLQMPFIU-NSHDSACASA-N	250.342	1.712	10	20	CDCD	
O=C(c1c(F)ccc(O)c1O)N1CCO[C@@H](C(F)F)C1	831369778	UDDYEZJFMPARRA-MRVPVSSYSA-N	291.225	1.343	10	20	CDCD	
C[C@@H](NC(=O)Cc1ccc(N)cc1)[C@H](O)Cc1ccccc1	831425877	HQRUZNLJJBXHSM-CXAGYDPISA-N	298.386	1.920	10	20	CDCD	
COC(=O)[C@H]1C[C@@H](NC(=O)c2cc(O)cs2)C1	839874188	HYQSMTGIWRFUHN-KNVOCYPGSA-N	255.295	1.135	10	20	CDCD	
Cc1nc([C@H](C)OC(=O)c2ccc(C)c(O)c2O)n[nH]1	840218600	CDMJSZNPTDBLIH-ZETCQYMHSA-N	277.280	1.751	10	20	CDCD	
COC[C@H]1CCCN1C(=O)NCCc1ccc(N)cc1	841957692	LBYDOOPGXBLGBC-CQSZACIVSA-N	277.368	1.632	10	20	CDCD	
C[C@@H](O)CCOC(=O)/C=C\c1ccc(O)c(O)c1	849745254	NGTVBBDSNKXVGA-AZVKUDOFSA-N	252.266	1.425	10	20	CDCD	
Oc1ccc(F)cc1CN1[C@H]2CCNC[C@H]1CC2	843057607	FISALGIBIRUGEK-CHWSQXEVSA-N	250.317	1.858	10	20	CDCD	
Cc1ccc(O)c(CNCC[C@]2(O)CCCOC2)c1	846108005	APOWANXAJWWWQQ-OAHLLOKOSA-N	265.353	1.722	10	20	CDCD	
COc1ccc(N2CCN(C[C@H]3CCNC3)CC2)cc1F	844221920	YNMGCSRVJUMINU-ZDUSSCGKSA-N	293.386	1.566	10	20	CDCD	
COc1ccc(O)c(CNC(=O)C[C@@H]2CCOC2)c1	740085622	FYYBKJMDGHHKLJ-JTQLQIEISA-N	265.309	1.444	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C1(C(=O)O)CCC1	852943115	QMDFXLLBQROWMK-UHFFFAOYSA-N	290.363	1.966	10	20	CDCD	
COC(=O)C[C@]1(NCc2cccc(OC)c2O)CCOC1	766470292	SUFRXDWDJSFKKD-OAHLLOKOSA-N	295.335	1.213	10	20	CDCD	
Cc1ccc(CN2CCC[C@H](NC(=O)N(C)C)C2)c(O)c1	877574744	UEYXDZXWEQTOBV-AWEZNQCLSA-N	291.395	1.936	10	20	CDCD	
COc1cc(C)cc(CN(C)CC(=O)N2CCCC2)c1O	874026356	PIACXWOUVKNPOR-UHFFFAOYSA-N	292.379	1.763	10	20	CDCD	
CCCN(Cc1ccc(C)cc1O)[C@@H]1CC(=O)N(C)C1=O	877503630	RRAPUHNURDWMKT-CYBMUJFWSA-N	290.363	1.670	10	20	CDCD	
CONC(=O)C1CCN(Cc2cc(C)c(C)cc2O)CC1	872792958	GTEPZYZHVLWQBF-UHFFFAOYSA-N	292.379	1.899	10	20	CDCD	
CC(C)NC(=O)CCCC(=O)N(C)c1ccc(N)cc1	877078674	ZDACIZXIZYXCSM-UHFFFAOYSA-N	277.368	1.927	10	20	CDCD	
CCCOc1ccc(CNCC2(CO)COC2)cc1C	873093526	SQPAITSKZHABPW-UHFFFAOYSA-N	279.380	1.882	10	20	CDCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@H]1C[C@@H]1F	1120990036	DLHAPHGNYOHMOE-RYUDHWBXSA-N	296.317	1.637	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)CNCC(F)(F)F	78641334	PNKOOAQRKFMFNH-UHFFFAOYSA-N	276.258	1.503	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2C[C@@H]3C[C@]3(CO)C2)c1O	782626300	ZVKYZWCPMMFPGP-XHDPSFHLSA-N	279.311	1.548	10	20	CDCD	
C[C@@H]1CCC[C@H]1NC(=O)C(=O)NCCc1ccc(N)cc1	1325729348	NAPKULQWLREYJX-BXUZGUMPSA-N	289.379	1.232	10	20	CDCD	
CN(C[C@@H]1CCCN1C)C(=O)NCc1ccc(N)cc1	1262603762	UMFALMJUCNOBCX-AWEZNQCLSA-N	276.384	1.504	10	20	CDCD	
O=C(N[C@H](c1ncon1)C1CC1)c1cc(O)cs1	1347418363	JVNMTFPXFFKCKS-VIFPVBQESA-N	265.294	1.718	10	20	CDCD	
CCN(CC)CCCNC(=O)NCc1ccc(N)cc1	1353254334	MCYVEPOVZXITEP-UHFFFAOYSA-N	278.400	1.800	10	20	CDCD	
Cc1ccc(CN[C@H]2CCO[C@H]2C(=O)O)c(O)c1	1600417790	HSJZSVPYCZIUDD-CMPLNLGQSA-N	251.282	1.032	10	20	CDCD	
COC[C@]1(C(=O)O)CCCN1Cc1ccc(C)cc1O	1606833661	NYEXXYCSKUCCQF-HNNXBMFYSA-N	279.336	1.766	10	20	CDCD	
O=C(CC1C[C@@H]2CC[C@H](C1)N2)NCc1ccccc1O	228421897	YVOZRYCWAYZUMJ-QXMXGUDHSA-N	274.364	1.929	10	20	CDCD	
Cn1ncc(C(=O)O)c1CN1Cc2cccc(O)c2C1	1594581189	MNZGVSHOJBSRLX-UHFFFAOYSA-N	273.292	1.340	10	20	CDCD	
CCN1CC[C@H]1CN[C@@H](C)c1cc(C(=O)O)ccc1O	1596415346	JPEPBQQFYVEHGQ-JQWIXIFHSA-N	278.352	1.835	10	20	CDCD	
CCC[C@](C)(NC(=O)c1cc(O)cs1)C(=O)O	1595552853	GOBYPWKGUQLNLN-NSHDSACASA-N	257.311	1.827	10	20	CDCD	
NS(=O)(=O)c1ccc(CNCc2ccccc2O)cc1	19910214	SWHAAAQAVSNDCR-UHFFFAOYSA-N	292.360	1.329	10	20	CDCD	
Cc1ccc(CNC2CCN(S(C)(=O)=O)CC2)c(O)c1	876922230	UJBQZQVQVIUHJX-UHFFFAOYSA-N	298.408	1.214	10	20	CDCD	
Cc1ccc(CN2C[C@H](C)S(=O)(=O)[C@@H](C)C2)c(O)c1	877542789	RQDKIPKKZPBMHK-RYUDHWBXSA-N	283.393	1.708	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@]2(C)CCCCN2)cc1	136195730	MNMJTQHHFWMVKO-MRXNPFEDSA-N	275.396	1.901	10	20	CDCD	
CN1CC[C@H](NCc2cccc(Br)c2O)C1	42546222	SOXYVQWPZVXHMC-JTQLQIEISA-N	285.185	1.948	10	20	CDCD	
Oc1cc2c(cc1CNC1CCC(O)CC1)OCO2	42879212	KAUAAXQCYFMVSW-UHFFFAOYSA-N	265.309	1.514	10	20	CDCD	
COC(C)(C)CN(C)C(=O)Cc1ccc(N)cc1	404224185	ATQYIRXNNGRWSR-UHFFFAOYSA-N	250.342	1.695	10	20	CDCD	
C[C@H](N[C@@H]1COC[C@@H]1O)c1ccc2ccccc2c1O	323317391	SOIWSMMHDIJNLE-VQISRLSMSA-N	273.332	1.956	10	20	CDCD	
OCC[C@@H](NCc1cc(F)ccc1O)C(F)(F)F	820846765	LPFXUPBXNNIWQN-SNVBAGLBSA-N	267.222	1.934	10	20	CDCD	
Nc1ccc(NC(=O)C[C@H]2CCS(=O)(=O)C2)cc1	63063449	GETHWFPHMTZHCB-SECBINFHSA-N	268.338	1.032	10	20	CDCD	
COC[C@@H](C)CNC(=O)NCc1cccc(OC)c1O	175099083	AORMDNFJHJZWST-JTQLQIEISA-N	282.340	1.483	10	20	CDCD	
CCOCCNC(=O)NCc1ccc(N2CC=CC2)cc1	125731483	ZEDFYXZBPFVPFT-UHFFFAOYSA-N	289.379	1.899	10	20	CDCD	
CN1CCCc2cc(CNC(=O)C3(O)CCC3)ccc21	184716798	LVLLLPHSRGSPOU-UHFFFAOYSA-N	274.364	1.600	10	20	CDCD	
C[C@@H]1CN(C(=O)c2cccc(O)c2O)CCS1	126558795	LVCJJAYMMFGYPK-MRVPVSSYSA-N	253.323	1.675	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CCOC2(CCC2)C1	181295540	KQJGYQKAXIQKJZ-HWKANZROSA-N	289.331	1.893	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@H]2CCCO2)c1	78726244	UEMUUTZMFMRDSA-GFCCVEGCSA-N	251.282	1.196	10	20	CDCD	
CC(C)Oc1ccc(N(C)CCN2C(=O)CNC2=O)cc1	191578680	ZACKQWGJFBBXFJ-UHFFFAOYSA-N	291.351	1.462	10	20	CDCD	
CN(C)c1ccc([C@@H](CNC(=O)NC2CC2)N(C)C)cc1	49504509	AEZJKROUGNGCFO-OAHLLOKOSA-N	290.411	1.817	10	20	CDCD	
Cn1nc2c(c1NC(=O)Cc1ccc(N)cc1)CCC2	262341073	YOSQDXLEYHWVAK-UHFFFAOYSA-N	270.336	1.672	10	20	CDCD	
COC[C@@H](O)CN[C@@H](C)c1ccc(F)c(F)c1O	276854550	BLWBSIYFKSKLJA-YUMQZZPRSA-N	261.268	1.328	10	20	CDCD	
COC(=O)[C@H]1CN(Cc2cccc(OC)c2O)C[C@@H](C)O1	282819850	ASDDSAWKBJHRPW-ZWNOBZJWSA-N	295.335	1.163	10	20	CDCD	
COc1cccc(CN2CC(OC(=O)NC(C)C)C2)c1O	297297843	BHRHVONRMWPQJF-UHFFFAOYSA-N	294.351	1.720	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NCCC(=O)N(C)OC)c1	808744000	SYZUUBSLGVRVDS-SNVBAGLBSA-N	282.340	1.461	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)COC(F)F	803089877	LOXAZMQCZUEDFW-SSDOTTSWSA-N	275.251	1.384	10	20	CDCD	
CC(C)[C@H](N)CN[C@@H](C)c1cc([N+](=O)[O-])ccc1O	817958464	JVUHJPCKSJZMCY-JOYOIKCWSA-N	267.329	1.934	10	20	CDCD	
OC/C=C/CNCc1c(O)cccc1Br	717531410	HERAPUPAWBWXBT-OWOJBTEDSA-N	272.142	1.793	10	20	CDCD	
Cn1cnc(C(=O)NCCCSc2nccs2)n1	810398826	PSAXGWMERIDQGC-UHFFFAOYSA-N	283.382	1.184	10	20	CDCD	
Cc1cc(CN[C@]2(C)CCOC2=O)ccc1N(C)C	815119481	ZLPJFDOXSTXLFR-OAHLLOKOSA-N	262.353	1.856	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC[C@H](N)C2CC2)c1	817965776	VBYFWBHJQCGXLN-ZANVPECISA-N	250.342	1.789	10	20	CDCD	
NC(=O)[C@H]1CCN(Cc2cc(Cl)c(F)cc2O)C1	816480653	SQDVBFQYSODJSS-ZETCQYMHSA-N	272.707	1.492	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2ccn(C)n2)cc1F	727310093	REJJPAOOMWNSMJ-UHFFFAOYSA-N	276.315	1.555	10	20	CDCD	
COc1cc(CN2CC(=O)N(C)C2)c(O)c(C(C)(C)C)c1	825474399	CCGOGZSPAUUAME-UHFFFAOYSA-N	292.379	1.930	10	20	CDCD	
CCn1nc(C)c(CNCc2cc([N+](=O)[O-])ccc2O)n1	823753488	WNEJHZGEMAHDHC-UHFFFAOYSA-N	291.311	1.510	10	20	CDCD	
c1csc(Sc2nnnn2C2CCOCC2)n1	729987412	YOZQHLOPYBWMHG-UHFFFAOYSA-N	269.355	1.632	10	20	CDCD	
CCn1nnc(C)c1CN(C)c1ccc2c(c1)OCO2	824131042	MKGUVCOBSANSIY-UHFFFAOYSA-N	274.324	1.972	10	20	CDCD	
O=C(COC1CCOCC1)NCc1ccccc1O	735332378	YFMNAUZDKKOWIJ-UHFFFAOYSA-N	265.309	1.204	10	20	CDCD	
CN1c2ccccc2C(=O)N[C@@H]1c1cc(C(=O)O)ccc1O	737529935	OFYYKYRYNVTEIA-AWEZNQCLSA-N	298.298	1.969	10	20	CDCD	
CC(C)[C@@H](N)CNC(=O)N(C)Cc1ccccc1O	841944120	WVYHBGYRULICAO-LBPRGKRZSA-N	265.357	1.517	10	20	CDCD	
COc1cccc(CNC(=O)CCCC(=O)O)c1O	911337011	NFQAWWBHBIGNQA-UHFFFAOYSA-N	267.281	1.272	10	20	CDCD	
COC(=O)[C@H]1C[C@@H](NC(=O)NCc2ccccc2O)C1	840276990	PNMXXJVCFWFYSQ-PHIMTYICSA-N	278.308	1.143	10	20	CDCD	
CN1C(=O)C(=Cc2ccc(Cl)nc2)C(=O)N(C)C1=O	748998907	IIXUDOODPPPGBF-UHFFFAOYSA-N	279.683	1.169	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1CC[C@@H]2CNC[C@@H]21	841026553	IGMFNFVJINPOFA-CJNGLKHVSA-N	259.397	1.855	10	20	CDCD	
COC(=O)[C@@H](CC1CC1)NCc1cc(F)ccc1O	840956838	FQVMVPORTGSIRM-GFCCVEGCSA-N	267.300	1.963	10	20	CDCD	
CO[C@@H]1CCC[C@H]1NC(=O)NCCc1ccc(N)cc1	841909214	BMLQAAMKCLNKCT-ZIAGYGMSSA-N	277.368	1.678	10	20	CDCD	
COc1cc(O)c(CNCC2(N)CCC2)cc1OC	841048384	IGVXGYJVRIYHJX-UHFFFAOYSA-N	266.341	1.380	10	20	CDCD	
O=C(O)CN(Cc1ccccc1O)C(=O)C1CC2(CC2)C1	911494237	VGJPYKWGTCXMJC-UHFFFAOYSA-N	289.331	1.996	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN(CCO)CCCO	840918755	XSFGQMDUKGXXOH-UHFFFAOYSA-N	266.385	1.238	10	20	CDCD	
CCN1CC[C@@H](OC(=O)c2cc(O)cs2)C1=O	849727879	JRLACSBDBACITQ-MRVPVSSYSA-N	255.295	1.231	10	20	CDCD	
C[C@H](NC(=O)N[C@@H](CO)CCF)c1ccc(N(C)C)cc1	845123330	BCKDSMWMJNXZQK-WCQYABFASA-N	297.374	1.833	10	20	CDCD	
Cc1cc(O)c(CN[C@@H](C(=O)O)c2ccnn2C)cc1C	843040759	XUMJQWPGCIDJBQ-CQSZACIVSA-N	289.335	1.658	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)NCC2(N)CCC2)c1	841967572	VGGYKLAMZDMPRP-JTQLQIEISA-N	293.367	1.642	10	20	CDCD	
NCCC1CCN(C(=O)NCCc2ccc(N)cc2)CC1	846171935	JPNRBSUHHXLAFI-UHFFFAOYSA-N	290.411	1.582	10	20	CDCD	
CC(=O)c1cc(Cl)cc(CN(C)CCO)c1O	50134645	SNXMNBVYPRKJBJ-UHFFFAOYSA-N	257.717	1.672	10	20	CDCD	
CO[C@@H]1CCN(Cc2ccc(N(C)C)cc2)[C@@H](C(=O)O)C1	851708263	SYMNDQQXWUTCQL-HUUCEWRRSA-N	292.379	1.817	10	20	CDCD	
CN(C)c1cc(F)c(CN(C)[C@H]2CCNC2=O)cc1F	862253527	OPYNNHWXWBZBDF-LBPRGKRZSA-N	283.322	1.351	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)CCC(C)(C)O)c1	862757284	NULPJKRFXJDWAV-UHFFFAOYSA-N	251.326	1.868	10	20	CDCD	
CNC(=O)C(=O)NCc1cc(C)n(-c2ccccc2)c1C	863509038	QTRGGOAFUBLWQL-UHFFFAOYSA-N	285.347	1.456	10	20	CDCD	
CCO[C@H]1COCC[C@@H]1NCc1ccc(C)cc1O	877345221	YGIKGFZSVPCZMH-ZFWWWQNUSA-N	265.353	1.984	10	20	CDCD	
Cc1ccc(CNC[C@@H](O)C2CCOCC2)c(O)c1	877044355	ZLOOIHFFTIBJDK-OAHLLOKOSA-N	265.353	1.578	10	20	CDCD	
O=C(N[C@@H]1CCC[C@H]1CCO)c1cc(O)cs1	779664429	UFJXVUJCPJQUSD-WCBMZHEXSA-N	255.339	1.735	10	20	CDCD	
C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1ncon1	779540947	UUYTZWXMXJBVNI-RYEJSQLPSA-N	275.264	1.371	10	20	CDCD	
Cc1ccc(C(=O)N[C@H]2CCN(C3CC3)C2)c(O)c1O	780907792	XCRBJGLHPFPDPF-JTQLQIEISA-N	276.336	1.373	10	20	CDCD	
COc1ccc(CNCC(=O)NC(C)C)c(O)c1OC	892409224	YQMMLAHPTHDVQK-UHFFFAOYSA-N	282.340	1.024	10	20	CDCD	
C[C@@H](NC(=O)NC[C@H]1C[C@H](N)C1)c1ccccc1O	892565375	JXUPZNMZJRNMJH-GMTAPVOTSA-N	263.341	1.490	10	20	CDCD	
COc1ccc(CN[C@@H](C)C[C@@H](C)O)c(O)c1OC	893505454	MRNAWQMNHPVPGN-VHSXEESVSA-N	269.341	1.658	10	20	CDCD	
COCC[C@H](CO)N[C@H](C)c1cc(F)cc(F)c1O	798940137	AOCPCIOHNFBHBI-PSASIEDQSA-N	275.295	1.718	10	20	CDCD	
COc1cccc(O)c1CN1CC[C@@H](N2CCCC2=O)C1	792189033	ZYRMPYNURLHIEK-GFCCVEGCSA-N	290.363	1.598	10	20	CDCD	
C[C@H](NCc1nnnn1C1CC1)c1ccc(F)cc1O	756732865	NPZNUNSAPORFAR-QMMMGPOBSA-N	277.303	1.704	10	20	CDCD	
COc1ccc(O)c(CN[C@H](C)c2ncnn2C)c1	789595591	WGXZLWNZYVAHBV-SECBINFHSA-N	262.313	1.380	10	20	CDCD	
COc1cccc(CNCC2(N(C)C)CCC2)c1O	97928745	MAJMRJVQCZSPDD-UHFFFAOYSA-N	264.369	1.975	10	20	CDCD	
CC(C)=CCCNC(=O)C(=O)N(C)Cc1ccccc1O	1327153935	QITBJRLRRYWEFC-UHFFFAOYSA-N	290.363	1.823	10	20	CDCD	
C[C@@H]1CN(C(=O)NCc2ccc(N)cc2)[C@H](C)CN1	1336290217	KCUWQIFZBHBZCU-GHMZBOCLSA-N	262.357	1.161	10	20	CDCD	
COC(=O)CN(CC(C)C)C(=O)c1cccc(O)c1O	1339537502	VCTJRVSBFZZEJG-UHFFFAOYSA-N	281.308	1.369	10	20	CDCD	
CC(C)[C@H](N)CCNC(=O)N1Cc2cccc(O)c2C1	1331888649	FHYWUCHCPCGWQY-CYBMUJFWSA-N	277.368	1.791	10	20	CDCD	
CNC(=O)[C@@H]1Cc2ccccc2CN1Cc1ccc(N)cc1	1334753344	CYFPLZIYMVAUEB-KRWDZBQOSA-N	295.386	1.942	10	20	CDCD	
CNC1(C(=O)N[C@@H](C)c2cc(OC)ccc2O)CCC1	1343542624	MCUIKDBSLYUAKS-JTQLQIEISA-N	278.352	1.720	10	20	CDCD	
O=C(O)[C@]1(CNCc2cccc(F)c2O)CCOC1	1601708597	WLTWJNJYWKCKEF-ZDUSSCGKSA-N	269.272	1.112	10	20	CDCD	
CN[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1	1578607112	WLUSDKKFMMQCBF-LLVKDONJSA-N	275.312	1.283	10	20	CDCD	
C/C(=C\CNC(=O)N(C)Cc1ccccc1O)C(=O)O	1588966911	MDWCFXZMEAYGDU-JXMROGBWSA-N	278.308	1.565	10	20	CDCD	
CCN(CCNCc1ccc(OC)c(C)c1)C(C)=O	1754028795	BOFKMZXBCNHERY-UHFFFAOYSA-N	264.369	1.962	10	20	CDCD	
COCCN(C)Cc1cc(OC)c(OC)cc1O	159948807	KBYHCAGLZFNREN-UHFFFAOYSA-N	255.314	1.488	10	20	CDCD	
CN1CCC[C@H](N(C)C(=O)c2cccc(O)c2O)C1	126385377	ICGNMHWYTDXVHZ-JTQLQIEISA-N	264.325	1.264	10	20	CDCD	
Cc1cccc(O)c1CNC[C@@H]1CCCS1(=O)=O	877111661	LENYEINLFYAUDF-NSHDSACASA-N	269.366	1.367	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCC(CCCO)CC1	400882187	SALAMVVAAOBXSU-UHFFFAOYSA-N	279.336	1.723	10	20	CDCD	
Nc1ccc(CC(=O)N[C@H](CC(F)(F)F)C(=O)O)cc1	312611983	GVRVPOQLKQPKGB-SECBINFHSA-N	290.241	1.333	10	20	CDCD	
OCCCSCCNCc1cc(F)cc(F)c1O	708465032	AOCDZZWZNSWLBA-UHFFFAOYSA-N	277.336	1.876	10	20	CDCD	
CCc1cccc(CN[C@H](C)C(=O)N(C)CC)c1O	709487323	ZZXTYZZCBSIYDF-LLVKDONJSA-N	264.369	1.911	10	20	CDCD	
O[C@@H]1COCC[C@H]1NCc1ccc2c(c1)CCCO2	922297050	TWVAWRVEKBSTQQ-ZIAGYGMSSA-N	263.337	1.251	10	20	CDCD	
C[C@@H](C(=O)NCc1ccc(N(C)C)c(F)c1)n1cncn1	58733622	DGSJOFXQHLNQFZ-JTQLQIEISA-N	291.330	1.361	10	20	CDCD	
COCCC(=O)N(C)Cc1ccc(N(C)C)cc1	171358584	XLNHJRWTNFAAOM-UHFFFAOYSA-N	250.342	1.748	10	20	CDCD	
CCCS(=O)(=O)N1CCOc2cc(N(C)C)ccc21	174064859	TYTAWTOZXLYSBS-UHFFFAOYSA-N	284.381	1.691	10	20	CDCD	
CC(C)(CNCc1cc(Cl)ccc1O)OCCO	311217888	SPRLWIJABKTPOQ-UHFFFAOYSA-N	273.760	1.923	10	20	CDCD	
CC(=O)NC[C@H]1CN(Cc2cc(C)ccc2O)CCO1	179716590	HWFRGMIJUMTOPE-AWEZNQCLSA-N	278.352	1.038	10	20	CDCD	
Cc1cc(C(N)=O)ccc1NC(=O)Cc1ccc(N)cc1	37026768	BMKCEMSJQYJAJA-UHFFFAOYSA-N	283.331	1.857	10	20	CDCD	
Cc1ccc(C(=O)NCCN(C)C(C)C)c(O)c1O	182439666	JEQYHZKDLVFIQD-UHFFFAOYSA-N	266.341	1.476	10	20	CDCD	
Cc1ccc([C@H](C)NC[C@@]2(O)CCOC2)c(O)c1	186178332	ZHKCYZROLNUMLE-FZMZJTMJSA-N	251.326	1.503	10	20	CDCD	
O=C(NCCc1cscn1)c1cccc(O)c1O	126421212	VCXAGMXNSYLUDZ-UHFFFAOYSA-N	264.306	1.527	10	20	CDCD	
CO[C@H](C)CCC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	186443684	KJWQUXLJHQATSM-WDEREUQCSA-N	281.352	1.960	10	20	CDCD	
CC(C)NC(=O)CN(C)c1ccc2c(c1)OCO2	121413012	QMCYKAIRFMNTNY-UHFFFAOYSA-N	250.298	1.376	10	20	CDCD	
C[C@H](NC[C@H]1CN(C)CCO1)c1ccc(F)c(F)c1O	187774691	UVGHQCMYAOKYMC-UWVGGRQHSA-N	286.322	1.652	10	20	CDCD	
O=S1(=O)CCC[C@H](NCc2c(O)cccc2Cl)C1	83794724	FTTPWYGVWZWZRL-VIFPVBQESA-N	289.784	1.712	10	20	CDCD	
CNC(=O)N1CCCN(c2ccc(OC)cc2)CC1	48647497	ZEUKRENFLQGIQK-UHFFFAOYSA-N	263.341	1.547	10	20	CDCD	
CN(Cc1nnc[nH]1)Cc1c(O)cccc1Cl	271163715	FAICAMPSMKUDQB-UHFFFAOYSA-N	252.705	1.796	10	20	CDCD	
COc1cc(O)c(CN(C)Cc2nccn2C)cc1OC	272849439	SJXOZBYAUUXNNJ-UHFFFAOYSA-N	291.351	1.775	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H]2CCO[C@H](C)C2)c1O	278473434	HYPDIBDVUOVWGQ-MWLCHTKSSA-N	296.323	1.966	10	20	CDCD	
COC[C@H](NC(=O)c1cccc(O)c1O)[C@H]1CCCO1	279460509	MQDHWIRWFYENPF-CMPLNLGQSA-N	281.308	1.022	10	20	CDCD	
COc1cccc(CNC(=O)N[C@H]2CSC[C@H]2C)c1O	807474264	FRMOQSMYTRUVAP-KOLCDFICSA-N	296.392	1.952	10	20	CDCD	
Nc1ccc(CCNC(=O)c2cc([C@H]3CCNC3)n[nH]2)cc1	295191593	OCCAPIWZJAXTBK-LBPRGKRZSA-N	299.378	1.041	10	20	CDCD	
C[C@@H]1C[C@H](NCC2CNC2)c2c(O)ccc(F)c21	817964884	IKTYNUGAHUVLFV-KCJUWKMLSA-N	250.317	1.889	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)c1cc(F)c[nH]1	815836128	RFFISPCSFJUBAN-UHFFFAOYSA-N	250.229	1.495	10	20	CDCD	
C[C@@H]1CN(C(=O)c2cccc(O)c2O)C[C@H]1CC(=O)O	722424064	KBARHJVQGAWJPV-RKDXNWHRSA-N	279.292	1.281	10	20	CDCD	
CC[C@@H]1NCC[C@@H]1C(=O)N[C@@H](C)c1cc(OC)ccc1O	828666913	KAXMMYJZFFGUMP-JKOKRWQUSA-N	292.379	1.966	10	20	CDCD	
Cc1cc(O)c(CN2C[C@@H](C)O[C@@H](CO)C2)cc1Cl	825651424	IEZYJFVMLKVCPS-ZYHUDNBSSA-N	285.771	1.936	10	20	CDCD	
C[C@@]1(O)CCN(c2ccc(/C=C\C(=O)O)cc2[N+](=O)[O-])C1	828116126	ZTJYHXFKLVBEGY-PKXJPQMGSA-N	292.291	1.654	10	20	CDCD	
NC1CC(NCc2cccc(Br)c2O)C1	906511203	YGNZKMFSTIJDRR-UHFFFAOYSA-N	271.158	1.734	10	20	CDCD	
COC[C@]1(C)CCN(C(=O)c2cc(O)cs2)C1	833554105	ZBIFKLWUILUMAS-GFCCVEGCSA-N	255.339	1.952	10	20	CDCD	
CN1CCCc2cc(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])ccc21	839605318	JLKDCYOXHLBANS-TZMCWYRMSA-N	289.335	1.350	10	20	CDCD	
CN(C)c1ccc(CN2CC[C@@](F)(C(=O)O)C2)cc1F	901515617	OALJLUMJLPFOIE-AWEZNQCLSA-N	284.306	1.890	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H]2CC23CCOCC3)c(O)c1O	836865842	BSJNYBXTMNXZCP-LLVKDONJSA-N	277.320	1.705	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2CCNC[C@@H]2C)c1O	843047184	ITQKBJHORXNXAD-VIFPVBQESA-N	281.312	1.103	10	20	CDCD	
CN(C)c1ccc([C@H](N)CNCc2cc[nH]n2)cc1	841044326	VZHCFSVZHGVYLP-CQSZACIVSA-N	259.357	1.265	10	20	CDCD	
COc1cccc(CNC(=O)C[C@H]2CCOC2)c1O	740082721	TXJNGGNUCZFHQE-SNVBAGLBSA-N	265.309	1.444	10	20	CDCD	
CCOCCN1CCN(C(=O)Nc2ccc(N)cc2)CC1	841299899	JOGLAPZXYMICFD-UHFFFAOYSA-N	292.383	1.455	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCNC1	841939389	PRPPIXHHPLVLEA-CQSZACIVSA-N	290.411	1.646	10	20	CDCD	
CC[C@H](C)C[C@H](N)C(=O)NCCc1ccc(N)cc1	911783037	OYVKMDNEEZLCQI-FZMZJTMJSA-N	263.385	1.691	10	20	CDCD	
N=C(NCc1ccc(N2CCSCC2)cc1)N1CCC1	848993532	GFJXYDJIPRKNDK-UHFFFAOYSA-N	290.436	1.970	10	20	CDCD	
COc1cccc(O)c1CN(C[C@H](C)O)C1CC1	848928441	DJNOBGRTAJJTHP-JTQLQIEISA-N	251.326	1.746	10	20	CDCD	
CN(C)C(=O)[C@H]1CCN(Cc2ccc(N(C)C)c(F)c2)C1	840959046	XGZOGCVTIYSQMO-ZDUSSCGKSA-N	293.386	1.802	10	20	CDCD	
CNC(=O)CCCNC(=O)NCc1cc(Cl)ccc1O	844910387	HBFISBDRHINXSK-UHFFFAOYSA-N	299.758	1.371	10	20	CDCD	
CC1(CO)CCN(C(=O)NCCc2ccc(N)cc2)CC1	841960666	UXVFGUPSOBATPT-UHFFFAOYSA-N	291.395	1.615	10	20	CDCD	
C[C@H]1C[C@H](C)CN(C(=O)C(=O)Nc2ccc(N)cc2)C1	841010530	PEKGAFWASNMWTN-QWRGUYRKSA-N	275.352	1.712	10	20	CDCD	
O=[N+]([O-])c1ccc(O)c(CN[C@H](CCO)C(F)(F)F)c1	852082936	YFQKMKBEBUQMGX-SNVBAGLBSA-N	294.229	1.703	10	20	CDCD	
CO[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(N)cc2)CC1	850833115	ZQVUICRVCCPGGB-CYBMUJFWSA-N	291.351	1.235	10	20	CDCD	
COC(=O)[C@H]1C[C@H]2CC[C@H]1N(C(=O)c1cc(O)cs1)C2	854910504	BEVBXZIZJIPWOL-DVVUODLYSA-N	295.360	1.867	10	20	CDCD	
COc1ccc(CNC(=O)C2(C(=O)O)CCC2)c(O)c1	852942268	HJZONGIVRXDWAK-UHFFFAOYSA-N	279.292	1.272	10	20	CDCD	
C[C@@H](NC[C@H]1COCCO1)c1cc([N+](=O)[O-])ccc1O	756433766	HIKSJZHZZBCVHZ-KOLCDFICSA-N	282.296	1.366	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N2CC=CC2)cc1F	875180053	JOAQVBKMQFOPCD-UHFFFAOYSA-N	263.316	1.973	10	20	CDCD	
COC[C@@H](NCc1ccc(C)cc1O)[C@H]1CCCO1	877490049	SRNNHEBEILTVOI-UKRRQHHQSA-N	265.353	1.984	10	20	CDCD	
Cc1cc(NC(=O)CN[C@H](C)c2ccccc2O)on1	879649067	KXSRACSZHUUSTE-SNVBAGLBSA-N	275.308	1.978	10	20	CDCD	
Cc1ccc([C@@H](O)CNC(=O)c2c(F)ccc(O)c2O)o1	788308102	URTDCYFOJHMVIR-JTQLQIEISA-N	295.266	1.602	10	20	CDCD	
CC[C@H](C)C[C@H](N)C(=O)NCc1ccc(OC)cc1O	1122064807	JEZIZDOKMNRPMN-GWCFXTLKSA-N	280.368	1.781	10	20	CDCD	
CC1(C)CN(Cc2cc(F)cc(F)c2O)C[C@H]1O	894597082	URKOWIAIBOXOMF-LLVKDONJSA-N	257.280	1.873	10	20	CDCD	
C[C@H](NCC1(CO)COC1)c1cc(F)ccc1O	186146577	DIGUVKNTCRUCTH-VIFPVBQESA-N	255.289	1.191	10	20	CDCD	
CCOc1cccc(CN2CCO[C@H](OC)C2)c1O	895971080	WVUICKYYWOOOOL-ZDUSSCGKSA-N	267.325	1.596	10	20	CDCD	
CC[C@@H](N)CNC(=O)N[C@H](C)c1ccccc1O	892143887	GZQPGOIXDBRJFW-NXEZZACHSA-N	251.330	1.490	10	20	CDCD	
C[C@@H](C(=O)NC(C)(C)C)N(C)C(=O)c1cccc(O)c1O	790944617	CKCFFAWNKJEANV-VIFPVBQESA-N	294.351	1.473	10	20	CDCD	
CN(C)c1ccc(CNCC2(S(C)(=O)=O)CCC2)cc1	279811501	OOYYMUQXWPESJM-UHFFFAOYSA-N	296.436	1.810	10	20	CDCD	
COc1ccc(CNC(=O)NCCCCCCO)c(O)c1	793083249	BMVMSMDIQFCSPY-UHFFFAOYSA-N	296.367	1.753	10	20	CDCD	
C[C@H](NC(=O)NCCF)c1ccc(N2CCOCC2)cc1	798061125	VCEALKLFAYHWAO-LBPRGKRZSA-N	295.358	1.853	10	20	CDCD	
CCN(C)c1ccc(CNC(C)(C)CC(N)=O)cc1	1326555813	RHURYSLRJMADOQ-UHFFFAOYSA-N	263.385	1.886	10	20	CDCD	
COCC1=CCN(C(=O)NCc2ccc(N)cc2)CC1	1338793130	MDPQYVJARBXYJE-UHFFFAOYSA-N	275.352	1.757	10	20	CDCD	
Nc1ccc(CNC(=O)CCCn2ccccc2=O)cc1	1342700592	UJFPTYPRIUMSAP-UHFFFAOYSA-N	285.347	1.527	10	20	CDCD	
COc1cc(N2CC[C@@H](CO)C2)c([N+](=O)[O-])cc1OC	214124525	YIIBLUNIQBBSND-SECBINFHSA-N	282.296	1.431	10	20	CDCD	
Cc1cccc(CN[C@H](Cc2cncs2)C(=O)O)c1O	1600532634	XBRZVOIBEIFOFO-GFCCVEGCSA-N	292.360	1.943	10	20	CDCD	
CN(CC[C@@H]1CCOC1=O)c1ccc(OCC(=O)O)cc1	1606112576	GPTIOIPLDNMYOX-LLVKDONJSA-N	293.319	1.539	10	20	CDCD	
Cc1ccc(O)c(CN=c2cc(C)[nH]cc2-c2nn[nH]n2)c1	1605875406	FRUNNLOOAQIGPA-UHFFFAOYSA-N	296.334	1.618	10	20	CDCD	
COCC[C@@H](C)N[C@@H](C)c1cccc(-c2nn[nH]n2)c1O	1605080203	WSYWFGLONDFYSQ-ZJUUUORDSA-N	291.355	1.648	10	20	CDCD	
COCC[C@@H](N)CNCc1ccc(N(C)C)cc1C	1579003826	LVRXDZAIEGEDOL-CQSZACIVSA-N	265.401	1.514	10	20	CDCD	
C[C@@H](O)CCCN[C@H](C)c1cccc(-c2nn[nH]n2)c1O	1589998325	RKGQXFXBNMKENH-NXEZZACHSA-N	291.355	1.384	10	20	CDCD	
C[C@@H](C(=O)O)C(=O)NCc1c(O)ccc2ccccc12	1588573983	RAJRPPBSDKJQQZ-SECBINFHSA-N	273.288	1.882	10	20	CDCD	
CC(C)C[C@H](N)CN(C)c1ccc(OCC(=O)O)cc1	1591161764	OTZSKCJOXCCXIL-LBPRGKRZSA-N	280.368	1.960	10	20	CDCD	
C[C@@H](NC[C@@]1(C)CCC(=O)N1)c1cc(C(=O)O)ccc1O	1593246818	CRXAFZKHPHUGRL-RFAUZJTJSA-N	292.335	1.410	10	20	CDCD	
CN(C)c1ccc(CNc2nccnc2C(=O)O)cc1F	1598320658	LAJRASLOPJPIBV-UHFFFAOYSA-N	290.298	1.992	10	20	CDCD	
COc1cccc(CN2CC[C@@](C)(C(N)=O)C2)c1O	234979239	LLDCHIQAKPPJHH-CQSZACIVSA-N	264.325	1.098	10	20	CDCD	
O[C@@]1(CNCc2ccc3c(c2)CCCO3)CCSC1	921809513	HMAXTVREGRMKAE-OAHLLOKOSA-N	279.405	1.969	10	20	CDCD	
Oc1cc2c(cc1CNCCO[C@H]1CCOC1)OCO2	922939258	MTOGIZXGGLPWRG-NSHDSACASA-N	281.308	1.016	10	20	CDCD	
C[C@@H](NCCS(=O)(=O)C1CC1)c1cc(F)ccc1O	840882149	GJSROWDZTJVHOO-SECBINFHSA-N	287.356	1.759	10	20	CDCD	
Nc1ccc(CC(=O)N[C@H]2CCN3CCCC[C@H]23)cc1	37023768	OKOZGXCUJNMHTE-LSDHHAIUSA-N	273.380	1.554	10	20	CDCD	
CN1CCC(O)(CNCc2c(O)cccc2Cl)CC1	265845955	HJWSTZDUPCVUGX-UHFFFAOYSA-N	284.787	1.592	10	20	CDCD	
Nc1ccc(CC(=O)NC2CCC(C(=O)O)CC2)cc1	40483308	LDVAOYQMGQUBIB-UHFFFAOYSA-N	276.336	1.571	10	20	CDCD	
C[C@H](NC[C@]1(O)CCSC1)c1ccccc1O	183543273	ALIGPDPJCLREIP-GXFFZTMASA-N	253.367	1.911	10	20	CDCD	
CNC(=O)C[C@H](C)N[C@H](C)c1cc(F)ccc1O	322527529	OJCOQAGTHPIMIP-DTWKUNHWSA-N	254.305	1.707	10	20	CDCD	
C[C@H]1CC[C@@H](C(=O)O)CN1C(=O)Cc1ccc(N)cc1	397071678	MHNUXCILEXOGKJ-CMPLNLGQSA-N	276.336	1.523	10	20	CDCD	
CN[C@@H](C)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1	54076425	XNMFFOYYVJZTQW-ZDUSSCGKSA-N	291.395	1.090	10	20	CDCD	
CCN(C)C(=O)[C@@H](C)NCc1cc(F)ccc1O	188046419	MDABJXNPXKNPQK-SECBINFHSA-N	254.305	1.488	10	20	CDCD	
COC[C@H]1CN(Cc2ccc(N(C)C)cc2)C[C@H](C)O1	188341255	AGIOCKOAVTXEAR-XJKSGUPXSA-N	278.396	1.988	10	20	CDCD	
C[C@@H]1COCCN1C(=O)NCc1ccc(N(C)C)cc1	31731271	LCZSSJGHXOAIPC-GFCCVEGCSA-N	277.368	1.683	10	20	CDCD	
CN(C)C(=O)CCNCc1cccc(Cl)c1O	124753699	FDSVXRNCRAWAJI-UHFFFAOYSA-N	256.733	1.614	10	20	CDCD	
COc1cc(Cl)cc(CN2CC[C@H](O)C2)c1O	184680017	WDKUEDHGCXXDNK-JTQLQIEISA-N	257.717	1.621	10	20	CDCD	
CCC[C@@]1(C)C(=O)NCCN1Cc1ccccc1O	189038585	XWODXPFGFDBGFH-HNNXBMFYSA-N	262.353	1.883	10	20	CDCD	
Cc1ccc(C(=O)NC[C@@H](O)c2ccccc2)c(O)c1O	182618476	XXSVAVKXFFRMIE-CYBMUJFWSA-N	287.315	1.870	10	20	CDCD	
COc1ccc(O)c(CN2CCC[C@@H](CC(N)=O)C2)c1	180560533	DFGKIVLVGIINMA-NSHDSACASA-N	278.352	1.488	10	20	CDCD	
C[C@H](CNC(=O)c1cccc(O)c1O)CN1CCCCC1	186986330	XXWWRACXLZVFHE-GFCCVEGCSA-N	292.379	1.950	10	20	CDCD	
CNC(=O)[C@@H]1CCCN(Cc2cccc(OC)c2O)C1	93361050	ZQCVVQONVROWEN-GFCCVEGCSA-N	278.352	1.359	10	20	CDCD	
COC[C@@H]1CN(Cc2ccc(N(C)C)cc2)CCO1	93528189	LJMXYZBMXWKQIA-HNNXBMFYSA-N	264.369	1.600	10	20	CDCD	
CCNC(=O)CN1CCOc2cc(N(C)C)ccc21	299538207	FFNVCYXBCWGQMZ-UHFFFAOYSA-N	263.341	1.088	10	20	CDCD	
C[C@@H](NC[C@@H](O)CN1CCCC1)c1ccc(F)cc1O	273382186	IOAAXIHIHLHZJW-DGCLKSJQSA-N	282.359	1.639	10	20	CDCD	
CO[C@H](CN)CC(=O)NCc1ccc2c(c1)CCCN2C	278204365	GWLOVLCCASLAGH-AWEZNQCLSA-N	291.395	1.049	10	20	CDCD	
COC[C@H]1CN(Cc2ccc(N(C)C)c(F)c2)CCO1	271154919	AUBPGKYMNWZLSE-CYBMUJFWSA-N	282.359	1.739	10	20	CDCD	
CCO[C@@H]1C[C@H](NC(=O)NCc2ccccc2O)[C@@H]1OC	274953345	QFAOPAKWSIOKBS-YUTCNCBUSA-N	294.351	1.384	10	20	CDCD	
C[C@H]1CCN(Cc2ccccc2O)CC[S@@]1=O	277655735	ORBWSPLDRORWPI-GTNSWQLSSA-N	253.367	1.735	10	20	CDCD	
Cc1ccc(C(=O)NCCC[C@@H](C)O)c(O)c1O	279115788	LHJRHAWRVBBLBR-SECBINFHSA-N	253.298	1.297	10	20	CDCD	
Cc1ccc(C(=O)N(C)C[C@H]2CCCN(C)C2)c(O)c1O	272709641	DLYZLAPFFUBGBS-LBPRGKRZSA-N	292.379	1.820	10	20	CDCD	
CCC(CC)[C@H](O)CNC(=O)c1c(F)ccc(O)c1O	276610384	SNKXBVAZAFIPHC-LLVKDONJSA-N	285.315	1.764	10	20	CDCD	
CCCOc1ccc(CN(CC)[C@@H]2CCNC2=O)c(O)c1	281640035	AMUHQNJYMWVYNM-CQSZACIVSA-N	292.379	1.891	10	20	CDCD	
CC(C)n1ncnc1COC(=O)c1cc(O)cs1	801262039	HODNUINRSDNRSB-UHFFFAOYSA-N	267.310	1.983	10	20	CDCD	
C[C@@H](NC(=O)[C@H]1CCC(=O)N1C)c1ccc(N(C)C)cc1	807274687	YXTSENDIBNBDBA-BXUZGUMPSA-N	289.379	1.551	10	20	CDCD	
C[C@@H](C(=O)O)N(C)Cc1c(O)ccc2ccncc12	817779403	NLYUGYCMZTYRRJ-VIFPVBQESA-N	260.293	1.845	10	20	CDCD	
C[C@](O)(C(=O)OCC(=O)c1ccc(O)c(O)c1)C1CCC1	812673432	LZWHLYRLQYVOIW-OAHLLOKOSA-N	294.303	1.375	10	20	CDCD	
C[C@@H]1COCC[C@H]1NC[C@@H](N)c1ccc(N(C)C)cc1	817942913	RNHBAPVSRHZDKD-DAXOMENPSA-N	277.412	1.767	10	20	CDCD	
COc1cc(O)c(CN2CCCN(C=O)CC2)cc1OC	827872557	YKJVCQUFAHTYMH-UHFFFAOYSA-N	294.351	1.074	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)Cn2ccc(C)n2)c1	825737079	RWOAPEFMJCZLBL-NSHDSACASA-N	289.335	1.783	10	20	CDCD	
CC[C@H]1CN(CC)CCN1C(=O)c1ccc(C)c(O)c1O	836947835	MIHIDDCLWHIVLG-LBPRGKRZSA-N	292.379	1.963	10	20	CDCD	
COc1ccc(CC(=O)NCCc2ccc(N)cc2)nc1	832658900	GTUFVHQBKNFNQG-UHFFFAOYSA-N	285.347	1.574	10	20	CDCD	
CCS(=O)(=O)CCCNCc1cccc(C)c1O	840973773	UCQKYAUVWXUDRC-UHFFFAOYSA-N	271.382	1.615	10	20	CDCD	
COc1cccc([C@@H](C)N[C@H]2CC(=O)N(C)C2)c1O	846147760	VTVKUICZBRQFBF-ZJUUUORDSA-N	264.325	1.282	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2CCN[C@@H](C)[C@H]2C)c1O	843056983	DODWSTZIOFOBBC-VHSXEESVSA-N	295.339	1.491	10	20	CDCD	
CC[C@@H](N)CNCc1cc(Cl)cc(OC)c1O	841072265	MXYAVCYNQNRSQT-SNVBAGLBSA-N	258.749	1.881	10	20	CDCD	
C[C@@H](NC(=O)N(C)Cc1ccccc1O)[C@@H]1CCCNC1	841929220	UYQPAEWMBSVCRK-CHWSQXEVSA-N	291.395	1.922	10	20	CDCD	
CCN(CC)C[C@@H](C)NC(=O)C(=O)Nc1ccc(N)cc1	841023056	OQYMJSXHLRDWTM-LLVKDONJSA-N	292.383	1.054	10	20	CDCD	
COC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	918671594	FHXHLJYEQYGFBT-GFCCVEGCSA-N	291.351	1.244	10	20	CDCD	
Oc1cccc(Cl)c1CNCCCN1CCNCC1	841030115	RKTOUKFXBHYTIW-UHFFFAOYSA-N	283.803	1.431	10	20	CDCD	
C[C@@H](CCO)N(C)C(=O)NCc1ccc(N(C)C)c(F)c1	844936688	ZAJZQDSMTKCDTP-NSHDSACASA-N	297.374	1.804	10	20	CDCD	
N=C(NCc1cccc(Br)c1O)N1CCC1	849023062	IWURALNPMOLBGH-UHFFFAOYSA-N	284.157	1.885	10	20	CDCD	
CCN(CC)c1ccc(CN2CC[C@@H](O)[C@H](CO)C2)cc1	840975450	NVQYXOJZFMZIDH-DOTOQJQBSA-N	292.423	1.708	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)OCc1ccno1	759592413	GRIJLQYRNDOVMQ-RQOWECAXSA-N	261.233	1.842	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NO[C@@H]2CCCCO2)c1	858410393	XNDDACCYGOLFHA-CYBMUJFWSA-N	280.324	1.958	10	20	CDCD	
C[C@H]1COC[C@H]1NCc1ccc(N2CCOCC2)c(F)c1	922640529	GPXZTHVGDSMYRY-SWLSCSKDSA-N	294.370	1.787	10	20	CDCD	
C[C@H](NCc1cc[nH]n1)c1cc([N+](=O)[O-])ccc1O	756555319	SCBRFVCQAZIAGV-QMMMGPOBSA-N	262.269	1.874	10	20	CDCD	
COc1ccc2c(c1)CCCN2Cc1nc(=O)n(C)[nH]1	754008513	HHTYYJQYPBDEQI-UHFFFAOYSA-N	274.324	1.070	10	20	CDCD	
CCOc1ccc(CN(C)[C@@H]2CCS(=O)(=O)C2)c(O)c1	768138540	OJSLYWNGWFVYQN-GFCCVEGCSA-N	299.392	1.410	10	20	CDCD	
CC[C@H]1CN(Cc2cc3c(cc2O)OC[C@@H]3O)CCO1	768441870	PTHWYVRUQWGSOU-FZMZJTMJSA-N	279.336	1.429	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@](C)(O)C(C)C)c1	771417183	LXIKEWXFNSEADV-ZUZCIYMTSA-N	281.352	1.985	10	20	CDCD	
CCN(CC)c1ccc(CNCCOCC(=O)O)cc1	874042468	HZAKXJNBRYNONJ-UHFFFAOYSA-N	280.368	1.724	10	20	CDCD	
COc1cc(C)cc([C@@H]2NC(=O)[C@H]3C[C@H](C)CCN32)c1O	887329621	KZANCNPKVDOWDS-DDHOLCJHSA-N	290.363	1.938	10	20	CDCD	
O=C(CC1CCOCC1)OCC(=O)c1ccc(O)c(O)c1	783709433	YIUFTOWAYSGBNV-UHFFFAOYSA-N	294.303	1.640	10	20	CDCD	
COc1cccc(CNC(=O)[C@H](N)C(C)(C)C)c1O	83492628	FGRNDXZSDIKNCV-LBPRGKRZSA-N	266.341	1.390	10	20	CDCD	
Cc1ccc(C(=O)NC[C@@H](O)c2ccco2)c(O)c1O	780969431	RXGIBIWEJTVNSQ-SNVBAGLBSA-N	277.276	1.463	10	20	CDCD	
COc1cc(C)cc(CNCCCNC(C)=O)c1O	894166326	XGOUYWUFHBZEQY-UHFFFAOYSA-N	266.341	1.325	10	20	CDCD	
CNC[C@H](C)CN[C@H](C)c1cc(C(=O)OC)ccc1O	1326473279	IIUIGSHALRADPL-WDEREUQCSA-N	280.368	1.685	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCSC[C@@H]1CO	1335875539	MZENUAMLISHKDY-ZETCQYMHSA-N	259.352	1.004	10	20	CDCD	
CC(C)(CCCO)CNC(=O)NCc1ccc(N)cc1	1335664821	GFDXDCVLCVMDMT-UHFFFAOYSA-N	279.384	1.867	10	20	CDCD	
COc1cc(O)c(CN2C[C@H]3CC[C@H]2[C@H](O)C3)cc1OC	1331062930	WDCROHUKOIXRKD-VHRBIJSZSA-N	293.363	1.755	10	20	CDCD	
COc1cc(N2CC[C@H](CO)C2)c([N+](=O)[O-])cc1OC	214124465	YIIBLUNIQBBSND-VIFPVBQESA-N	282.296	1.431	10	20	CDCD	
CC1=C(C(=O)NCc2cccc(O)c2O)C(=O)OC1(C)C	1348045156	CEDCWVMCIBJRNR-UHFFFAOYSA-N	291.303	1.366	10	20	CDCD	
Nc1ccc(CC(=O)NCC[C@@H]2CSCCN2)cc1	1353948988	OPRQXABVPOCXDY-CYBMUJFWSA-N	279.409	1.023	10	20	CDCD	
COC[C@](C)(O)CN[C@@H](C)c1cc(C(=O)O)ccc1O	1606792361	OKBNBNRPJSMDPJ-LKFCYVNXSA-N	283.324	1.138	10	20	CDCD	
C[C@H](N[C@@H]1CNCC[C@H]1C)c1cc(C(=O)O)ccc1O	1609774839	CFBAXJIAAHVVHV-GBIKHYSHSA-N	278.352	1.739	10	20	CDCD	
CCO[C@@H]1CN(Cc2cc(C)cc(OC)c2O)C[C@H]1CN	1578157814	XZCIUSWRWDLQJG-UKRRQHHQSA-N	294.395	1.505	10	20	CDCD	
CC(C)(C)[C@H](C(=O)O)C(=O)N1Cc2cccc(O)c2C1	1588635456	KJHUYSAPRWMTJW-LBPRGKRZSA-N	277.320	1.981	10	20	CDCD	
C/C(=C/CNC(=O)N[C@@H](C)c1ccccc1O)C(=O)O	1588973024	JAIHXKRGJBPENR-RNKPRXRFSA-N	278.308	1.783	10	20	CDCD	
Nc1ccc(CCNC(=O)[C@H]2C[C@H]3CC(=O)[C@@H]2C3)cc1	1580443699	ZTODUUXCPNQAOH-YUTCNCBUSA-N	272.348	1.543	10	20	CDCD	
CN(C)c1ccc(CNc2cnn(CC(=O)O)c2)cc1F	1593708787	BASDIPBEVYAOAW-UHFFFAOYSA-N	292.314	1.785	10	20	CDCD	
C[C@@H]1[C@@H](C(=O)O)CCN1C(=O)c1c(F)ccc(O)c1O	1594156205	KEAZOWRIEMVSLB-RQJHMYQMSA-N	283.255	1.172	10	20	CDCD	
O=C(NC[C@@H](O)c1ccccc1)c1cccc(O)c1O	126613790	IUQCHWYKBOGWBO-CYBMUJFWSA-N	273.288	1.561	10	20	CDCD	
COC[C@H](C)NC(=S)NCc1ccc(N(C)C)cc1	18165346	GAODFLCPENHPQE-NSHDSACASA-N	281.425	1.752	10	20	CDCD	
CC[C@@H](CO)NCc1ccc(N2CCOCC2)cc1	20195931	SPIUKYXPJBYQCS-AWEZNQCLSA-N	264.369	1.384	10	20	CDCD	
Oc1c(Cl)cccc1CNC[C@H]1CN2CCC[C@H]2CO1	252738626	FONGDJPMYXISOB-STQMWFEESA-N	296.798	1.998	10	20	CDCD	
COC1(C(=O)N(C)Cc2ccccc2O)CCNCC1	152083408	UTRFAUZALDSUBD-UHFFFAOYSA-N	278.352	1.119	10	20	CDCD	
COc1ccc(O)c(CN2CCC[C@H](S(C)(=O)=O)C2)c1	274192465	ZPQPJRKGKANRRZ-ZDUSSCGKSA-N	299.392	1.410	10	20	CDCD	
CN(C)c1ccc(CNC(=O)C23CC(CN2)C3)cc1	694784661	KMRIHNWCGFMJGU-UHFFFAOYSA-N	259.353	1.121	10	20	CDCD	
CCc1nc(C(=O)NCCc2ccc(N)cc2)co1	818544889	WKRZTFWOHWYXLX-UHFFFAOYSA-N	259.309	1.792	10	20	CDCD	
Cc1ccc([C@@H](C)NC[C@]2(O)CCOC2)c(O)c1	186178287	ZHKCYZROLNUMLE-BXUZGUMPSA-N	251.326	1.503	10	20	CDCD	
COC[C@H]1CCN(Cc2cccc(OC)c2O)C1	211445012	POFULJBYBDNVSX-NSHDSACASA-N	251.326	1.869	10	20	CDCD	
C[C@H](CS(C)(=O)=O)NCc1cc(Cl)ccc1O	78639424	RLPNUABKWKGPPY-MRVPVSSYSA-N	277.773	1.568	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NC[C@H]2CCCO2)cc1	31726607	SRTNCADBUZXWBC-CQSZACIVSA-N	277.368	1.731	10	20	CDCD	
CCOCCNC(=O)CN(C)c1ccc(OC)cc1OC	132057339	QMGGYELADDLIEM-UHFFFAOYSA-N	296.367	1.293	10	20	CDCD	
Cc1cccc(CNC[C@@]2(O)CCO[C@H]2C)c1O	228094677	PQGPFXGZAAQNJY-FZMZJTMJSA-N	251.326	1.330	10	20	CDCD	
CCn1nncc1CNCc1cc(F)ccc1O	529639172	OKFYMTALMFOUMR-UHFFFAOYSA-N	250.277	1.433	10	20	CDCD	
C[C@@H](CO[C@H]1CCOC1)NC(=O)Cc1ccc(N)cc1	237457934	URNARLSXOCJHJU-FZMZJTMJSA-N	278.352	1.122	10	20	CDCD	
Nc1ccc(CC(=O)N2CCC([C@@H]3CCCN3)CC2)cc1	371241874	DQOWVZCEWGPSHD-INIZCTEOSA-N	287.407	1.802	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NOCC2CC2)cc1	292341883	DKAJVUIQOQFDBJ-UHFFFAOYSA-N	263.341	1.893	10	20	CDCD	
CCC[C@H](CNC(=O)c1ccc(C)c(O)c1O)OC	296165182	SVLGOFINSNKPQJ-SNVBAGLBSA-N	267.325	1.951	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)CN1CCCC1=O	808095133	SMWTUSGIXMZJBH-UHFFFAOYSA-N	297.351	1.117	10	20	CDCD	
C[C@H](CC(N)=O)NCc1cc(Cl)c(F)cc1O	816557206	HQUJOZSWQLTRQF-ZCFIWIBFSA-N	260.696	1.538	10	20	CDCD	
C[C@]1(C(=O)OCC(=O)c2ccc(O)c(O)c2)CC1(F)F	817248538	NDOBSBPUPZOIDL-GFCCVEGCSA-N	286.230	1.869	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2cnn3c2CCC3)c1	825838466	ARPKOMNTMQCALV-UHFFFAOYSA-N	287.319	1.474	10	20	CDCD	
Cc1cc(O)c(CN2C[C@H](C)N(CCO)[C@H](C)C2)cc1C	824926870	WGRLIXFUASIZJQ-GASCZTMLSA-N	292.423	1.896	10	20	CDCD	
FC(F)OC1CN(Cc2ccc(N3CCOCC3)cc2)C1	839145511	SVIHGWYPCSYZNW-UHFFFAOYSA-N	298.333	1.947	10	20	CDCD	
COc1ccc(CNC(=O)c2cc3n(n2)CCC3)c(O)c1	831032900	LWGRFAQONOOTTP-UHFFFAOYSA-N	287.319	1.474	10	20	CDCD	
Cc1ccc(C(=O)N2[C@@H](C)[C@H](C)NC(=O)[C@H]2C)c(O)c1O	911794346	HTOBXLZMYQKCOU-LPEHRKFASA-N	292.335	1.144	10	20	CDCD	
COC[C@@]1(CNCc2cc(C)c(C)cc2O)CCCN1	841068136	WGFBZERNXXLPRX-INIZCTEOSA-N	278.396	1.867	10	20	CDCD	
CCN1C(=O)C(C)(C)N[C@H]1c1cc(O)c(O)c(OC)c1	840833655	SAGVKPRYIOBEIQ-GFCCVEGCSA-N	280.324	1.335	10	20	CDCD	
CCN1CC[C@H](OC(=O)c2cc(O)cs2)C1=O	849727880	JRLACSBDBACITQ-QMMMGPOBSA-N	255.295	1.231	10	20	CDCD	
NCCNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	841922248	ZDEDMFHIOXDOFH-ZDUSSCGKSA-N	293.367	1.042	10	20	CDCD	
C[C@H]1C[C@@H](C)O[C@@H]1C(=O)NCc1ccc(O)cc1O	910946536	OYJLHKDCKOSVRK-RWEMILLDSA-N	265.309	1.528	10	20	CDCD	
C[C@@H](NC(=O)NC[C@@H](N)C1CC1)c1ccc(N(C)C)cc1	841881715	CNUXNOAJYXLUBP-IAQYHMDHSA-N	290.411	1.850	10	20	CDCD	
COc1cccc(CN[C@H]2CC23CCNCC3)c1O	841081204	YFEWAZNIUQGSLX-ZDUSSCGKSA-N	262.353	1.633	10	20	CDCD	
NC[C@@H]1CN(Cc2ccc(N3CCCCC3)cc2)CCO1	843070697	WYERWSIUUWCWLQ-QGZVFWFLSA-N	289.423	1.836	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N(C)CCN	841824454	PDRUHEPAOSCBOQ-UHFFFAOYSA-N	264.373	1.161	10	20	CDCD	
CCOc1cccc(CN[C@H]2CCCNC2)c1O	841043796	WIFBJJPXZFMJLR-LBPRGKRZSA-N	250.342	1.633	10	20	CDCD	
CC(C)(C)C(=O)NCC(=O)NCc1cc(Cl)ccc1O	846478809	FCTWAIMDLIXLDL-UHFFFAOYSA-N	298.770	1.824	10	20	CDCD	
CC(C)(CNC(=O)c1cc(O)cs1)S(C)(=O)=O	748860635	UFFJHFRQVFJEJP-UHFFFAOYSA-N	277.367	1.007	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@@H]2COC[C@H]2OC)c1	842912459	SIEYAGNIRJMYIO-MRCXROJRSA-N	295.335	1.243	10	20	CDCD	
O=C(NCc1c(O)ccc2c1CCCC2)NCC1CNC1	841964935	OKDNXCTUBPAFEE-UHFFFAOYSA-N	289.379	1.290	10	20	CDCD	
CCc1cccc(CN(CCOC)CCN(C)C)c1O	848911166	QQWXLIIRFJXKSM-UHFFFAOYSA-N	280.412	1.965	10	20	CDCD	
COc1cccc([C@H](C)N[C@@H]2COC[C@H]2OC)c1O	846171172	DZPXBTPJLHDGOO-UFGOTCBOSA-N	267.325	1.465	10	20	CDCD	
COc1ccc(O)c(CNC[C@@]2(C)CCCNC2)c1	841056410	GRGFZYIKPUFCND-HNNXBMFYSA-N	264.369	1.880	10	20	CDCD	
C[C@H](CCO)N(C)Cc1ccc(N2CCOCC2)cc1	846109349	UANKSJRPDWRWGV-CQSZACIVSA-N	278.396	1.726	10	20	CDCD	
O=C(NCCCO[C@H]1CCOC1)c1cc(O)cs1	757422840	BHVWRVKTZHBKAB-JTQLQIEISA-N	271.338	1.379	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CC(F)C1	753191604	PTPGVFNXMOYFKU-UHFFFAOYSA-N	265.332	1.924	10	20	CDCD	
C[C@H](N[C@@H]1CCN(C)C1)c1cc([N+](=O)[O-])ccc1O	756533469	HVZLCUYOEFBEPI-VHSXEESVSA-N	265.313	1.655	10	20	CDCD	
COc1ccc(CNC(=O)[C@@H]2NCCC2(C)C)c(O)c1	852889100	BRBOMSCPQIIRDG-ZDUSSCGKSA-N	278.352	1.405	10	20	CDCD	
O=[N+]([O-])c1ccc(O)c(CNC[C@H](CO)CC2CC2)c1	850386152	GMXDILDHNBXVGI-LLVKDONJSA-N	280.324	1.799	10	20	CDCD	
C[C@@H]1C[C@@H](N[C@H]2CC(=O)N(C)C2)c2c(O)ccc(F)c21	756524602	HOPRLCIFOBKOBH-WCABBAIRSA-N	278.327	1.900	10	20	CDCD	
COC[C@](C)(O)CN[C@@H](C)c1cc(C(=O)OC)ccc1O	756578885	XJHKVDBYIGOJRC-ZUZCIYMTSA-N	297.351	1.227	10	20	CDCD	
Cc1ccc(C(=O)OC[C@H]2CC3(CC3)C(=O)O2)c(O)c1O	763170199	SEOGRKKRJYWSQX-SECBINFHSA-N	292.287	1.659	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)Cc1nonc1C	935945434	XBHANMIAFACFML-UHFFFAOYSA-N	296.323	1.428	10	20	CDCD	
CCOc1ccc(CN(C)[C@H]2CCNC2=O)c(O)c1	770384351	XNQAYNGIZQMKGO-LBPRGKRZSA-N	264.325	1.111	10	20	CDCD	
Cc1cccc(O)c1CNCCN1CCO[C@H](C)C1	877021934	WUXGREKWVFAEPN-CYBMUJFWSA-N	264.369	1.511	10	20	CDCD	
COc1cc(C(=O)NCc2cccc(OC)c2O)ccn1	1116003494	XSFSBCWNVPCKDK-UHFFFAOYSA-N	288.303	1.734	10	20	CDCD	
CCn1cc(-c2n[nH]cc2C(=O)N(C)c2cn[nH]c2)cn1	778945377	AJFNCQQGNOVQID-UHFFFAOYSA-N	285.311	1.293	10	20	CDCD	
Oc1ccc(Cl)c(F)c1CN[C@H]1C[C@H](O)[C@H](O)C1	886245029	IGFCQSMMEYUTRH-MBTASHSMSA-N	275.707	1.159	10	20	CDCD	
CCN1CC(=O)N[C@H]1c1cc(Cl)cc(F)c1O	788689706	ITHRWTZBICQFOF-LLVKDONJSA-N	258.680	1.635	10	20	CDCD	
Cn1ccnc1[C@H]1CNCCN1Cc1ccc(N)cc1	1120268099	ADOULKMJCTVIMI-CQSZACIVSA-N	271.368	1.149	10	20	CDCD	
CN(C)c1ccc(CNc2nc3ncccn3n2)cc1	788452306	XLBKPZMUBXMULR-UHFFFAOYSA-N	268.324	1.802	10	20	CDCD	
C[C@H](NC(=O)N1C[C@@H](N)C[C@@H]1C)c1ccc(N(C)C)cc1	891812326	AFSZIWVVWJVFQJ-OBJOEFQTSA-N	290.411	1.945	10	20	CDCD	
CCc1cccc(CNCC(=O)NCC(C)C)c1O	691438731	RYCXSJAONRYHHS-UHFFFAOYSA-N	264.369	1.816	10	20	CDCD	
Cc1ccc(C(=O)Nc2ccc3c(c2)C(=O)NC3)c(O)c1O	792811981	IIQXKSSGUNAAIP-UHFFFAOYSA-N	298.298	1.902	10	20	CDCD	
COC(=O)N1CCCN(Cc2ccc(C)cc2O)CC1	1140947688	ATTQTMRYSHVZTC-UHFFFAOYSA-N	278.352	1.975	10	20	CDCD	
O=C(NCCC1=CCN(c2cc(F)ncn2)CC1)C1CC1	1089803871	VKSMMRRHPVROTO-UHFFFAOYSA-N	290.342	1.669	10	20	CDCD	
C[C@@H](NC1CCN(C)CC1)c1cc(C(=O)O)ccc1O	1609777393	LDUDSMNEGLTACY-SNVBAGLBSA-N	278.352	1.835	10	20	CDCD	
C[C@H](CN1CCCC1=O)NCc1cc(F)ccc1O	226585480	DFRUDMOBURLUTH-SNVBAGLBSA-N	266.316	1.632	10	20	CDCD	
CCN(CCNCc1cccc(OC)c1O)C1CC1	227550786	QTVIIJXXWGFKEP-UHFFFAOYSA-N	264.369	1.975	10	20	CDCD	
COc1ccc(CN2CC[C@@](C)(C(=O)O)C2)c(O)c1OC	1594093159	WMLQWSACCUQLJB-OAHLLOKOSA-N	295.335	1.706	10	20	CDCD	
CN(C)c1ccc(CN2C[C@@H](C(=O)O)OC(C)(C)C2)cc1	1777039365	KTYLZPYWEOHQKX-AWEZNQCLSA-N	292.379	1.817	10	20	CDCD	
CCONC(=O)NCc1ccc(N2CCOCC2)cc1	162306425	CZOGTQZZPAITPV-UHFFFAOYSA-N	279.340	1.274	10	20	CDCD	
C[C@H]1CN(C(=O)c2cccc(O)c2O)CC(C)(C)O1	126367394	SPZKDFJUIOPWSL-VIFPVBQESA-N	265.309	1.737	10	20	CDCD	
CCC[C@H]1CNCCN1C(=O)Cc1ccc(N)cc1	841849265	GBZXXNFOEFLILR-AWEZNQCLSA-N	261.369	1.412	10	20	CDCD	
Oc1cc(Br)ccc1CN1CCOCC1	257870301	AKFVMEPRPUZGJW-UHFFFAOYSA-N	272.142	1.987	10	20	CDCD	
Cc1cccc(CNC[C@@H]2CN3CCC[C@@H]3CO2)c1O	158135171	ZIMBLQLNGZYLDE-HUUCEWRRSA-N	276.380	1.653	10	20	CDCD	
Cc1noc(C)c1S(=O)(=O)NCc1ccccc1O	158576732	VXCVLZUYJDTLRJ-UHFFFAOYSA-N	282.321	1.476	10	20	CDCD	
C[C@H]1[C@@H](NCc2cc(F)ccc2O)CCS1(=O)=O	293947000	ORTSMZORSGEZIE-KWQFWETISA-N	273.329	1.197	10	20	CDCD	
COc1cccc(CNC(=O)[C@@H](C)OCC2CC2)c1O	105649312	VMBQCUUEAPCSRB-SNVBAGLBSA-N	279.336	1.832	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)NC[C@H]2CCCO2)c1	171409052	ZAHOHABRPVWIPQ-CMPLNLGQSA-N	294.351	1.940	10	20	CDCD	
COc1ccc(O)c(CNC(=O)CCc2cnn(C)c2)c1	114542507	AMMBKNPTNQZORD-UHFFFAOYSA-N	289.335	1.383	10	20	CDCD	
Cc1ccc(C(=O)Nc2cccc(C(N)=O)c2)c(O)c1O	179398467	PKJGYYHTOLOSEM-UHFFFAOYSA-N	286.287	1.757	10	20	CDCD	
CN1CCCc2cc(CNC(=O)N[C@@H]3CCOC3)ccc21	178760050	VRUVNQCTFLCKHY-CQSZACIVSA-N	289.379	1.657	10	20	CDCD	
OCC1(COc2ccc(N3CCCC3)cc2)COC1	305045812	FJXMQEYUNLMAPK-UHFFFAOYSA-N	263.337	1.675	10	20	CDCD	
C[C@@H](NCC(=O)N1CCOCC1)c1ccc(N(C)C)cc1	183359170	QLSCANNIEAUUKI-CYBMUJFWSA-N	291.395	1.262	10	20	CDCD	
COC(=O)N1CC(N[C@H](C)c2cc(OC)ccc2O)C1	186137425	REFHJNCIYLCQRH-SECBINFHSA-N	280.324	1.502	10	20	CDCD	
C[C@H]1CSCCN1C(=O)c1cccc(O)c1O	126428746	IZRISSNFYDAIJX-QMMMGPOBSA-N	253.323	1.675	10	20	CDCD	
COc1cc(O)c(CNC[C@H]2CCCOC2)cc1OC	180341869	YGUQOTNYLXFDIY-LLVKDONJSA-N	281.352	1.926	10	20	CDCD	
CC(=O)NCCCNC(=O)NCc1ccc(N(C)C)cc1	31730098	RDUQSZCKTQSPTJ-UHFFFAOYSA-N	292.383	1.078	10	20	CDCD	
CC[C@H]1COCCN1C(=O)c1ccc(C)c(O)c1O	182456731	VSYKMTFPPSWCSX-JTQLQIEISA-N	265.309	1.657	10	20	CDCD	
COc1ccc(O)c(CNC(=O)Cc2cncs2)c1	188553586	PDIVCDDINVZVMK-UHFFFAOYSA-N	278.333	1.716	10	20	CDCD	
CC[C@H](C)NC(=O)c1cc(NS(C)(=O)=O)ccc1O	48923164	LWXRQLBBNHCKQN-QMMMGPOBSA-N	286.353	1.292	10	20	CDCD	
Nc1ccc(CCNC(=O)[C@H]2CC23CCNCC3)cc1	237945625	JUPSCJBWRDBOMH-CQSZACIVSA-N	273.380	1.317	10	20	CDCD	
Cc1cc(C(=O)NCCN)c(C)n1-c1ccccc1	237589982	UOUSACLVTLSMJE-UHFFFAOYSA-N	257.337	1.783	10	20	CDCD	
COC[C@@H](CO)N[C@@H](C)c1ccc(N(C)C)cc1	234891075	LMPBDKRPRPPPJI-WCQYABFASA-N	252.358	1.411	10	20	CDCD	
C[C@H](CN1CCCC1=O)N[C@H]1CCc2cccc(O)c21	296189307	YKZMHUYHMBHEFV-YPMHNXCESA-N	274.364	1.980	10	20	CDCD	
Cc1nc(C(=O)NCc2c(C)c3ccccc3n2C)n(C)n1	454236680	GGOJTPKYEUVDTP-UHFFFAOYSA-N	297.362	1.854	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2S(=O)(=O)C1(C)CC1	451263444	QPWIIBDTEFXTEC-UHFFFAOYSA-N	296.392	1.834	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1C[C@H]2CC[C@H]1O2	273158670	JVLYPYKJGBKISF-XDYICZGBSA-N	291.347	1.713	10	20	CDCD	
CN(C)c1ccc(CN2CCC[C@@H](OCCO)C2)cc1F	271192971	QDRMIKDCABKFDW-CQSZACIVSA-N	296.386	1.865	10	20	CDCD	
O=S(=O)(Nc1ccc(O)cc1)c1cn2c(n1)CCCC2	370364180	DFOPDAZMZYVBQT-UHFFFAOYSA-N	293.348	1.726	10	20	CDCD	
Cc1ccc(C(=O)Nc2nncn2C2CC2)c(O)c1O	285949196	VIAUVVWAGJZYIP-UHFFFAOYSA-N	274.280	1.585	10	20	CDCD	
CN(C)c1ccc(OCC2CCS(=O)(=O)CC2)cc1	289398604	NPXFDEMBOUTSSJ-UHFFFAOYSA-N	283.393	1.956	10	20	CDCD	
COC1(C(=O)NCc2ccc(N(C)C)cc2)CCOCC1	284616988	VFQQJFPBMQQJRS-UHFFFAOYSA-N	292.379	1.564	10	20	CDCD	
COc1ccc(O)c(CNC(=O)Cc2ccc(F)cn2)c1	806858373	MHMLIHCDKVYEMQ-UHFFFAOYSA-N	290.294	1.794	10	20	CDCD	
CC(=O)C(=O)COC(=O)c1ccc(C(F)(F)F)cn1	808489043	ADCWPPXHCJBZAT-UHFFFAOYSA-N	275.182	1.415	10	20	CDCD	
CCn1cc([C@@H](C)NC(=O)c2cccc(O)c2O)cn1	296888142	IFHJJQSQZYHHGS-SECBINFHSA-N	275.308	1.805	10	20	CDCD	
COc1ccc(O)c([C@@H](C)N[C@H]2COC[C@@H]2OC)c1	290022630	CJVGDUOKCVJHBI-LQJRIPTKSA-N	267.325	1.465	10	20	CDCD	
CCN(CC)c1ccc(CN2CC(C(=O)NC)C2)cc1	297399414	LGRIWPCFVNXPSQ-UHFFFAOYSA-N	275.396	1.711	10	20	CDCD	
CO[C@H]1COC[C@@H]1N[C@@H](C)c1cc(C)ccc1O	290305193	ZEMAVTXOHHCWRO-JKOKRWQUSA-N	251.326	1.765	10	20	CDCD	
Oc1cc2c(cc1CN1CCn3cncc3C1)[C@@H](O)CO2	811787997	ZWXBPPAIMOZGII-AWEZNQCLSA-N	287.319	1.030	10	20	CDCD	
CSC[C@H](O)CNCc1ccc2c(c1)CCCN2C	818984510	AIMXQBNOBDVPOT-CQSZACIVSA-N	280.437	1.883	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CCc2ncccn2)cc1	812448667	BWHJGVUAYFRRDV-UHFFFAOYSA-N	284.363	1.792	10	20	CDCD	
COc1cccc(CNc2ccc(CO)cn2)c1O	811501586	OWBVXATZYUMNGK-UHFFFAOYSA-N	260.293	1.900	10	20	CDCD	
C[C@H](N[C@@H]1CCNC1)c1ccc(N2CCOCC2)c(F)c1	817945031	RVLRFOLBVMWWNU-GXTWGEPZSA-N	293.386	1.675	10	20	CDCD	
N[C@H]1C[C@H](NCc2cc(Br)ccc2O)C1	906508311	MLBGLUVHLSUEGE-MGCOHNPYSA-N	271.158	1.734	10	20	CDCD	
CC[C@H](C)[C@H](NC(=O)c1cc(O)cs1)C(=O)OC	824295433	KSPJVSGLZOSVEM-XVKPBYJWSA-N	271.338	1.771	10	20	CDCD	
COc1cccc([C@H](C)NCc2cn(C)cn2)c1O	903352558	VFDBLZOPLCPEQH-JTQLQIEISA-N	261.325	1.985	10	20	CDCD	
CN(C)c1ccc([C@@H](N)CNC(=O)c2ccncc2)cc1	832285216	PUIWOGRFLBNGOG-HNNXBMFYSA-N	284.363	1.577	10	20	CDCD	
CC(=O)N1CC[C@](C)(C(=O)NCc2ccccc2O)C1	746885346	XHMZDYMYEPLMIR-HNNXBMFYSA-N	276.336	1.267	10	20	CDCD	
C[C@H](NC(=O)N1CCC[C@@H](N)C1)c1ccc(N(C)C)cc1	841882177	XHAMWRDABOZKAO-GXTWGEPZSA-N	290.411	1.946	10	20	CDCD	
CN[C@H]1CCN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1	841882336	JKGCNLYWPDAJSK-OCCSQVGLSA-N	290.411	1.817	10	20	CDCD	
COC[C@@H]1CCCN(C(=O)NCCc2ccc(N)cc2)C1	841954508	MXCJUSNFTAKMEN-CQSZACIVSA-N	291.395	1.879	10	20	CDCD	
CC(C)n1ccc(CC(=O)NCc2ccc(O)cc2O)n1	910951866	WRYIFOITUBDHDT-UHFFFAOYSA-N	289.335	1.734	10	20	CDCD	
C[C@@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)CC[C@@H]1N	841651898	CETIWNJFLMYEFR-DOMZBBRYSA-N	290.411	1.631	10	20	CDCD	
CCc1cccc(CNC[C@H](CO)[C@@H]2CCOC2)c1O	848907595	FYQDRVDFGFKEGJ-HUUCEWRRSA-N	279.380	1.689	10	20	CDCD	
Oc1cc2c(cc1CNCC[C@@]1(O)CCCOC1)OCO2	846112140	XLQCDAGOWWWEKQ-HNNXBMFYSA-N	295.335	1.142	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCN[C@@H](C)C1	841823843	HWFURAMTZOPSCZ-ZDUSSCGKSA-N	290.411	1.564	10	20	CDCD	
C[C@@H]1CN(C(=O)C(=O)Nc2ccc(N)cc2)C[C@@H](C)S1	841050965	LKEBKEDQXUGWIS-NXEZZACHSA-N	293.392	1.560	10	20	CDCD	
COCCN1C(=O)C2(CC2)N[C@@H]1c1cccc(F)c1O	840837377	RQVHLWFOIMKQRD-LBPRGKRZSA-N	280.299	1.141	10	20	CDCD	
O=C(O)/C=C/c1ccc(N2CCC[C@@H](O)C2)c([N+](=O)[O-])c1	920957480	HFBYOXOORXCQCQ-DUMNWFOQSA-N	292.291	1.654	10	20	CDCD	
CC1=NO[C@H](CNC(=O)c2c(F)ccc(O)c2O)C1	857276564	QZSUGSOHSKEBPA-ZETCQYMHSA-N	268.244	1.132	10	20	CDCD	
C[C@H](NCCN1CC[C@@H](O)C1)c1cc(F)ccc1O	858548848	QAMYAYAMWRSXNG-CMPLNLGQSA-N	268.332	1.249	10	20	CDCD	
Cc1nc(CCN[C@H](C)c2cc(F)cc(F)c2O)n[nH]1	757639861	VJHSIUWTCRDEEO-SSDOTTSWSA-N	282.294	1.990	10	20	CDCD	
C[C@H]1CCN(Cc2cc3c(cc2O)OCO3)C[C@H]1CO	857061738	UUAKSLZIXGZNLN-JQWIXIFHSA-N	279.336	1.571	10	20	CDCD	
COCC1(C(=O)NCc2cc(C)ccc2O)CCOCC1	862754995	AFIPNECRNDRBLU-UHFFFAOYSA-N	293.363	1.760	10	20	CDCD	
COc1cccc(O)c1CN1CC(=O)N[C@@H]2CCCC[C@H]21	769193351	XZRRWVFGAXPYMH-CHWSQXEVSA-N	290.363	1.644	10	20	CDCD	
COC(=O)C1(C(=O)N[C@@H](C)c2cc(OC)ccc2O)CC1	768296423	XNDBIFLNYOIGHE-VIFPVBQESA-N	293.319	1.531	10	20	CDCD	
CC[C@@](C)(O)C(=O)N1CCOc2cc(N(C)C)ccc21	933815635	RFPSITNMQFFNFU-OAHLLOKOSA-N	278.352	1.639	10	20	CDCD	
Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CC(O)C2)c1	860015098	KNEPKOYEEVKZSV-UHFFFAOYSA-N	298.342	1.723	10	20	CDCD	
C[C@@H](CNC(=O)N[C@H](C)c1ccccc1O)N(C)C	868674928	DOTNVULXHYPRIF-WDEREUQCSA-N	265.357	1.703	10	20	CDCD	
CCN(CCOC)Cc1cc2c(cc1O)OC[C@@H]2O	768441235	XLFQGRWVQNSLNP-ZDUSSCGKSA-N	267.325	1.286	10	20	CDCD	
COC(=O)[C@@H]1C[C@@H](O)CN(Cc2ccc(C)cc2O)C1	877607394	AFBYTGAUMAIYEL-CHWSQXEVSA-N	279.336	1.056	10	20	CDCD	
CCN(C)c1ccc(CN(C)[C@@]2(CO)CCOC2)cc1	773829316	AUTKBSLNVNTVPZ-MRXNPFEDSA-N	278.396	1.726	10	20	CDCD	
COc1ccc(O)c([C@H](C)NCCn2ccccc2=O)c1	775369962	CTANRMFOBKLLOH-LBPRGKRZSA-N	288.347	1.913	10	20	CDCD	
CN(C)c1nccc(CNCc2cc(F)cc(F)c2O)n1	883083390	KINPZDMZLXVTJU-UHFFFAOYSA-N	294.305	1.816	10	20	CDCD	
Cc1nocc1CNCc1cc2c(cc1O)OCO2	397911579	LMPOHQMMQFBQDI-UHFFFAOYSA-N	262.265	1.707	10	20	CDCD	
COc1ccc(CNC2COC(C)(C)OC2)c(O)c1OC	893569150	NAYBUQVSOPZCAS-UHFFFAOYSA-N	297.351	1.651	10	20	CDCD	
COc1cc(O)c(CNc2cc(CO)ccn2)cc1OC	895037787	NSNLEUASJMGVSG-UHFFFAOYSA-N	290.319	1.909	10	20	CDCD	
C[C@@H]1CS(=O)(=O)C[C@@H]1NCc1cccc(Cl)c1O	711699337	WGRZYDOCUWWCIF-KCJUWKMLSA-N	289.784	1.568	10	20	CDCD	
OCCCCCNCc1ccc(N2CCOCC2)c(F)c1	790483243	KPAIRGUMUWAKDZ-UHFFFAOYSA-N	296.386	1.915	10	20	CDCD	
CCN1CCC[C@@H](N[C@H]2CCc3cccc(O)c32)C1=O	722356438	PPGMXVSZTYNZIS-QWHCGFSZSA-N	274.364	1.980	10	20	CDCD	
CO[C@@H](CNCc1cc2c(cc1O)OCO2)C(F)(F)F	733329183	OVKJNMZHDPBSHA-NSHDSACASA-N	293.241	1.788	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CO[C@H]1CCOC1	1319360648	KKOAFEZKEKDDLT-HNNXBMFYSA-N	292.379	1.517	10	20	CDCD	
Cc1ccc(O)c(CNc2cc(C)nc(CO)n2)c1	1328804608	UTIQZBYJQJSBNE-UHFFFAOYSA-N	259.309	1.903	10	20	CDCD	
COC[C@H](OC)C(=O)Nc1c(Cl)ccc2nonc12	1331446475	AUMBVYZNOQJNLD-QMMMGPOBSA-N	285.687	1.476	10	20	CDCD	
CC(=O)NC1CCN(C(=O)NCc2ccc(N)cc2)CC1	1346740237	ZDTXFXPMNRTHJI-UHFFFAOYSA-N	290.367	1.079	10	20	CDCD	
C[C@H](CN)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	1263259976	MWWUHPIYKKZCHV-DOMZBBRYSA-N	292.427	1.066	10	20	CDCD	
CC[C@@H](O)CCCNC(=O)NCc1ccc(N)cc1	1262603663	QGLNTHAJSHCCLX-CYBMUJFWSA-N	265.357	1.619	10	20	CDCD	
Clc1cnc(Sc2ccnc(-c3nn[nH]n3)n2)s1	1606198292	IQZXAUYLTAMPPG-UHFFFAOYSA-N	297.756	1.918	10	20	CDCD	
O=C(O)c1cn([C@H]2CCN(Cc3ccccc3O)C2)nn1	1602498623	DIVWWHJNLGLVAT-NSHDSACASA-N	288.307	1.129	10	20	CDCD	
CO[C@]1(CNCc2ccc(N(C)C)cc2)CCOC1	122972764	SJFXPEMSGFHNCG-HNNXBMFYSA-N	264.369	1.648	10	20	CDCD	
CC(=O)C(=O)COc1ccc(C(=O)O)c(Cl)c1	1589021699	SUNDLCVVMYCBLT-UHFFFAOYSA-N	256.641	1.575	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)c2cc(C(=O)O)n[nH]2)c1	1594373316	QRACEHHPIBCLMM-UHFFFAOYSA-N	275.264	1.052	10	20	CDCD	
COC[C@]1(C(=O)O)CN(Cc2c(C)cccc2O)CCO1	1593986457	XJIWWBIONVRKPX-HNNXBMFYSA-N	295.335	1.003	10	20	CDCD	
COc1cc(C)c(CN2CC(C)(C(=O)O)C2)c(O)c1	1599391333	RFDXXGWQAXIBHH-UHFFFAOYSA-N	265.309	1.616	10	20	CDCD	
CO[C@]1(C(=O)O)CCN(Cc2cccc(Cl)c2O)C1	1599078239	AZSHLUHTNJLERS-CYBMUJFWSA-N	285.727	1.721	10	20	CDCD	
CCN(C)c1ccc(CNCCOCC(=O)O)c(C)c1	1776856402	SDBZPBXUGCTUNT-UHFFFAOYSA-N	280.368	1.642	10	20	CDCD	
CN(C)c1ccc(CN2CC[C@H](C(N)=O)C2)cc1F	157120233	HUSFYKSUIYAFHW-NSHDSACASA-N	265.332	1.199	10	20	CDCD	
C[C@@H](CS(C)(=O)=O)N(C)Cc1c(O)cccc1Cl	125946504	LUOHNFHTLPXXBG-VIFPVBQESA-N	291.800	1.911	10	20	CDCD	
NCCC1CCN(C(=O)Cc2ccc(N)cc2)CC1	846698451	GYRMXVSLPJQUEP-UHFFFAOYSA-N	261.369	1.399	10	20	CDCD	
Nc1ccc(NC(=O)[C@H]2CCc3nccn3C2)cc1	848393221	VNZYESIXNBHPEP-JTQLQIEISA-N	256.309	1.666	10	20	CDCD	
Cc1ccc(CN2C[C@H](C)S(=O)(=O)[C@H](C)C2)c(O)c1	877542790	RQDKIPKKZPBMHK-TXEJJXNPSA-N	283.393	1.708	10	20	CDCD	
COc1ccc(N2CCNCC2)cc1Br	7275942	CHAZJWNBJJSUBT-UHFFFAOYSA-N	271.158	1.867	10	20	CDCD	
COc1ccc(O)c(CN(C)[C@H](C)CS(C)(=O)=O)c1	180236499	RXNNUFJUBDNPLY-SNVBAGLBSA-N	287.381	1.266	10	20	CDCD	
CNC(=O)C[C@H](C)N[C@H](C)c1cc(OC)ccc1O	323023549	JYROOYWIVXOYGO-VHSXEESVSA-N	266.341	1.576	10	20	CDCD	
COC[C@@](C)(CO)NCc1cc(F)cc(F)c1O	708394342	XEUSANPQTINOOR-GFCCVEGCSA-N	261.268	1.157	10	20	CDCD	
COC(=O)N(C)CCNCc1cccc(Cl)c1O	689551763	FNVSYJRXGANILS-UHFFFAOYSA-N	272.732	1.833	10	20	CDCD	
CCCN(CC(N)=O)Cc1cccc(OC)c1O	386332417	MOFGMTWUFVCIBC-UHFFFAOYSA-N	252.314	1.098	10	20	CDCD	
CCN1C[C@@H](N[C@@H](C)c2ccc(C)cc2O)CC1=O	391500083	VOBKOFQJNVINMV-RYUDHWBXSA-N	262.353	1.972	10	20	CDCD	
c1cc(N2CCOCC2)ccc1CNCc1csnn1	398371768	JMTRBCULNHIVSS-UHFFFAOYSA-N	290.392	1.665	10	20	CDCD	
COc1cccc(CNC[C@@H](O)CC(C)C)c1O	227442225	UFRGISMWAFMGQT-LBPRGKRZSA-N	253.342	1.897	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)[C@@H]1C[C@H]1C1CC1	122542275	QACFHSNTSYWLNB-NWDGAFQWSA-N	261.321	1.803	10	20	CDCD	
CC[C@@H](O)CCNC(=O)c1ccc(C)c(O)c1O	182817011	CGSZQUPDJSURFC-SECBINFHSA-N	253.298	1.297	10	20	CDCD	
CCCN(CC(=O)NCCCOC)Cc1ccccc1O	76074352	ATUHWIKXZIPBNN-UHFFFAOYSA-N	294.395	1.757	10	20	CDCD	
Cc1ccc(C(=O)NCCCC(=O)N(C)C)c(O)c1O	182224014	PCIMHGBDQFKXPI-UHFFFAOYSA-N	280.324	1.004	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)NOC[C@@H]1CCOC1	190418835	UZALGWJUEYEJQB-LLVKDONJSA-N	280.324	1.502	10	20	CDCD	
COc1ccc(O)c(CNC(=O)C2CCC(O)CC2)c1	194477649	QKCOEFMAPNXMNN-UHFFFAOYSA-N	279.336	1.568	10	20	CDCD	
O=C(O)[C@@H]1CCN(Cc2cc(Cl)ccc2O)C1	86789299	YHOKTRDZRXYWPQ-MRVPVSSYSA-N	255.701	1.952	10	20	CDCD	
Cc1cccc(CN2CCC[C@]23CCOC3=O)c1O	190030019	ALSKXDXCRURADY-OAHLLOKOSA-N	261.321	1.982	10	20	CDCD	
CN(Cc1cc2c(cc1O)OCO2)[C@H](CO)C(C)(C)C	93837452	QIIBPMQQQCNWMU-CQSZACIVSA-N	281.352	1.960	10	20	CDCD	
C[C@@H](CN1CCOCC1)C(=O)N(C)Cc1ccccc1O	271150629	UTQFPBXROGAOIV-ZDUSSCGKSA-N	292.379	1.319	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)NCc2cnn(C)c2)c1	273432751	WGTNQWAFQGMLMU-SNVBAGLBSA-N	289.335	1.763	10	20	CDCD	
CCOC1CC(O)(CNCc2cc(C)ccc2O)C1	277809737	YTUNNEYHSWIGMZ-UHFFFAOYSA-N	265.353	1.720	10	20	CDCD	
CC(C)NC(=O)CN[C@@H](C)c1cc([N+](=O)[O-])ccc1O	273376969	HJBMDIGZPBJMCM-VIFPVBQESA-N	281.312	1.476	10	20	CDCD	
COC(=O)[C@H]1CN(Cc2c(O)cccc2Cl)C[C@@H](C)O1	283006495	LBLIWEINSMWRCQ-NOZJJQNGSA-N	299.754	1.808	10	20	CDCD	
Cc1cc(CN(CCO)C[C@H](C)O)ccc1N(C)C	293652649	SNFCJGUMEJNZAA-ZDUSSCGKSA-N	266.385	1.236	10	20	CDCD	
COc1ccc(CNC(=O)[C@H]2C[C@H]3CC[C@H]2NC3)c(O)c1	818000718	UMOUHSTYPGAGGR-DDTOSNHZSA-N	290.363	1.405	10	20	CDCD	
COC[C@@]1(CN[C@@H](C)c2ccc(F)cc2O)CCCN1	817973028	BAYOTWRREKIORA-NHYWBVRUSA-N	282.359	1.951	10	20	CDCD	
CO[C@](C)(C(=O)OCC(=O)c1ccc(O)c(O)c1)C1CC1	812660906	BDKADBOBWZTDME-HNNXBMFYSA-N	294.303	1.639	10	20	CDCD	
C[C@@H]1C[C@H](NC[C@H](N)c2ccc(N(C)C)cc2)[C@@H](C)O1	817943300	UCWRQSWAMTWZDC-MPTQWLOMSA-N	277.412	1.908	10	20	CDCD	
COC(=O)[C@@H]1C[C@@H]1C(=O)N[C@H](C)c1cc(OC)ccc1O	728978182	BGYGWNLGOBZRLQ-JFUSQASVSA-N	293.319	1.387	10	20	CDCD	
CN(C)C(=O)[C@@H]1CSCN1C(=O)c1cc(O)cs1	825228352	WEMQVODVKZGRGU-QMMMGPOBSA-N	286.378	1.057	10	20	CDCD	
Cc1cc(O)c(CNC[C@@]2(O)CCO[C@@H]2C)cc1Cl	825731149	DANCZWAWPZHDBQ-YGRLFVJLSA-N	285.771	1.984	10	20	CDCD	
COc1ccc(N2CCC(NC[C@@H]3CCN3C)CC2)cc1	903325024	XPSJTPOODSJTCE-INIZCTEOSA-N	289.423	1.958	10	20	CDCD	
COc1ccc(N2CCC(NC[C@H]3CCN3C)CC2)cc1	903325025	XPSJTPOODSJTCE-MRXNPFEDSA-N	289.423	1.958	10	20	CDCD	
CN(C)C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1	837705990	BFEBKYOOGFXEPT-UHFFFAOYSA-N	299.321	1.573	10	20	CDCD	
CN(CC(C)(C)O)c1ccc(/C=C\C(=O)O)cc1[N+](=O)[O-]	737407708	FDSYFPQMTOZUFB-ALCCZGGFSA-N	294.307	1.900	10	20	CDCD	
CN(C)c1ccc(CNC(=O)Nc2cnsn2)cc1	839111586	TVONGAFJQFZZLS-UHFFFAOYSA-N	277.353	1.926	10	20	CDCD	
C[C@@]1(C(=O)NCc2ccc(O)c(O)c2)CCCCO1	837486081	UNZSTAQQRNBASZ-AWEZNQCLSA-N	265.309	1.673	10	20	CDCD	
CC[C@](C)(CNC(=O)c1ccc(C)c(O)c1O)OC	836823685	MIOBTMYAONPQPA-CQSZACIVSA-N	267.325	1.951	10	20	CDCD	
CNC(=O)C[C@H](C)N[C@@H](C)c1cc([N+](=O)[O-])ccc1O	834901696	YCZCGKVJYOOELX-IUCAKERBSA-N	281.312	1.476	10	20	CDCD	
C[C@@H]1CNCCN1Cc1ccc(N2CCOCC2)cc1	843048145	PMCYEFJMKRXAJY-CQSZACIVSA-N	275.396	1.317	10	20	CDCD	
COC[C@@]1(CNCc2cccc(C)c2O)CCCN1	841066947	HDCWECWOHHAJOU-HNNXBMFYSA-N	264.369	1.559	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)OCCC1(O)CCC1	840336678	RZOXNJJOSRUQHA-HYXAFXHYSA-N	278.304	1.959	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNCCC(=O)N(C)C	840934221	YZSACDYVTFKPRU-UHFFFAOYSA-N	263.385	1.629	10	20	CDCD	
CC[C@H](C(N)=O)N(C)CCN(C)c1ccc(OC)cc1	844399443	JLTLICNGNDVEDU-CQSZACIVSA-N	279.384	1.327	10	20	CDCD	
C[C@H](CN)NCc1cc(Br)ccc1O	841059544	FMYCKDJBKNPXRL-SSDOTTSWSA-N	259.147	1.592	10	20	CDCD	
C[C@H]1CCCN1S(=O)(=O)NCCc1ccc(N)cc1	842822249	AYGLFKTUYRCXQX-NSHDSACASA-N	283.397	1.130	10	20	CDCD	
Cc1ccc(C(=O)OCCOC[C@@H]2CCCO2)c(O)c1O	744910498	PWMNNBNWLMWVCZ-NSHDSACASA-N	296.319	1.759	10	20	CDCD	
CN[C@@H](C)C(=O)NCc1c(O)ccc2c1CCCC2	848425900	FONLFLMWYGTLHZ-JTQLQIEISA-N	262.353	1.495	10	20	CDCD	
C[C@@H](NCC[C@]1(O)CCCOC1)c1ccccc1O	846213827	KTRVIHCSPHPOCK-IUODEOHRSA-N	265.353	1.974	10	20	CDCD	
CN(C(=O)NCCc1ccc(N)cc1)[C@H]1CCCOC1	841961180	AVVWTZGTPPBHNF-AWEZNQCLSA-N	277.368	1.632	10	20	CDCD	
CCc1cccc(CN2CCN(C[C@H](C)O)C[C@@H]2C)c1O	848907887	KGSGNHUQWFKLPY-KBPBESRZSA-N	292.423	1.842	10	20	CDCD	
CCS(=O)(=O)C1CN(Cc2cccc(OC)c2O)C1	841886554	REWLIZKOTVCVNJ-UHFFFAOYSA-N	285.365	1.020	10	20	CDCD	
COc1cccc([C@H](C)N[C@H]2CC(=O)N(C3CC3)C2)c1O	846154545	NSVDKMJLAHWSEQ-QWRGUYRKSA-N	290.363	1.815	10	20	CDCD	
COc1ccc(N(C)CCN(C)CC2OCCO2)cc1	844401780	QPDQHQZEALELGO-UHFFFAOYSA-N	280.368	1.436	10	20	CDCD	
CN[C@H]1CCCN(Cc2ccc([N+](=O)[O-])c(OC)c2O)C1	843048510	DLKTZEWFDYRUIP-NSHDSACASA-N	295.339	1.493	10	20	CDCD	
Cn1ncc(C2CC2)c1/C=C1\SC(=S)NC1=O	849240013	BKDRNYNJDDQMLJ-WTKPLQERSA-N	265.363	1.786	10	20	CDCD	
C[C@H](NC(=O)NC[C@@H]1COCO1)c1ccc(N(C)C)cc1	922053155	CSYLGIPUWLHWTR-SMDDNHRTSA-N	293.367	1.486	10	20	CDCD	
NC(=O)[C@@H]1CC[C@H](NCc2ccc3c(c2)CCO3)C1	825278220	AIPSBZPQCAUJMR-OLZOCXBDSA-N	260.337	1.365	10	20	CDCD	
CN1CC[C@H]1CNCc1cc([N+](=O)[O-])ccc1O	922573467	AWDNEJJOYMYPNS-NSHDSACASA-N	251.286	1.094	10	20	CDCD	
COc1cccc(O)c1CN[C@@H]1CCc2c[nH]nc2C1	758505019	KEJHZZPZVISVOA-LLVKDONJSA-N	273.336	1.771	10	20	CDCD	
Cc1cc(C)c(O)c(CN2CCN([C@H]3CCOC3)CC2)c1	853554414	XLTHUIZXRWTFCQ-INIZCTEOSA-N	290.407	1.916	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1ncnn1C	853802461	XCOWWGUBULJICA-UHFFFAOYSA-N	273.340	1.120	10	20	CDCD	
COC[C@H](C)N[C@@H](C)c1cc(C(=O)OC)ccc1O	756340096	HXMPZZGZFVKHNI-UWVGGRQHSA-N	267.325	1.864	10	20	CDCD	
COC[C@](C)(CC(=O)OC)NCc1cccc(OC)c1O	757926459	LUDWAFUVHBCUGM-HNNXBMFYSA-N	297.351	1.459	10	20	CDCD	
COC(=O)C1(C(=O)N[C@H](C)c2cc(OC)ccc2O)CC1	768296421	XNDBIFLNYOIGHE-SECBINFHSA-N	293.319	1.531	10	20	CDCD	
COC(=O)C[C@@]1(NCc2cccc(Cl)c2O)CCOC1	768534038	LKYYYUQTDFSEMW-AWEZNQCLSA-N	299.754	1.857	10	20	CDCD	
Cc1ccc(CNCCN2CCO[C@H](C)C2)c(O)c1	877021179	RTIMMUSAUNQONO-CYBMUJFWSA-N	264.369	1.511	10	20	CDCD	
C[C@H](NC(=O)N=c1nc[nH]n1C)c1ccc(N(C)C)cc1	775687629	CPQYSFDVTVQWDK-JTQLQIEISA-N	288.355	1.186	10	20	CDCD	
CCN(C)c1ccc(CN2CCNC(=O)[C@@H]2C)cc1	773750392	YRARLOIERITTQP-LBPRGKRZSA-N	261.369	1.463	10	20	CDCD	
CC[S@@](=O)CCN[C@@H](C)c1c(O)cccc1F	886526138	FVPBBUPIZSWRNA-HUTHGQBESA-N	259.346	1.951	10	20	CDCD	
CC[C@H](O)CCNCc1ccc(N2CCC(O)CC2)cc1	877111979	PVVKNGCJPYDKMH-INIZCTEOSA-N	292.423	1.898	10	20	CDCD	
CC(C)N(C)C(=O)[C@@H](C)OC(=O)c1cccc(O)c1O	784788176	QLFDBYSUWBUODZ-SECBINFHSA-N	281.308	1.510	10	20	CDCD	
CC(=O)N1C[C@@H]2CN(Cc3cccc(Cl)c3O)C[C@@H]2C1	895575764	IDZYGYGAINCPDR-BETUJISGSA-N	294.782	1.956	10	20	CDCD	
CN(CCN(C)C1CC1)C(=O)c1cccc(O)c1O	280596055	XUWRTERRTSAYOX-UHFFFAOYSA-N	264.325	1.264	10	20	CDCD	
CC[C@H](C(=O)N[C@H](C)c1cc(OC)ccc1O)C(=O)OC	790788406	WCAHPTPZCWTAFA-MWLCHTKSSA-N	295.335	1.777	10	20	CDCD	
CC[C@@H]1CCN(C(=O)C(=O)N(C)Cc2ccccc2O)C1	1325636518	DCHXTRGSZHPHLL-GFCCVEGCSA-N	290.363	1.609	10	20	CDCD	
C[C@@H](CNC(=O)C(=O)N(C)Cc1ccccc1O)C1CC1	1321874018	ISKDMYGVODHGJG-NSHDSACASA-N	290.363	1.513	10	20	CDCD	
Nc1ccc(CN2CCN(C[C@H]3CCCO3)CC2)cc1	1334753192	BBLLOMGFCJKYHZ-MRXNPFEDSA-N	275.396	1.565	10	20	CDCD	
Nc1ccc(CN2CC[C@@H]3NC(=O)OC[C@H]3C2)cc1	1334775449	YCPDFLJWMFHDEW-YPMHNXCESA-N	261.325	1.199	10	20	CDCD	
COc1ccc(CNC(=O)C[C@@H](N)C(C)(C)C)c(O)c1	1263126293	HSRRQFCYMSWDIK-CYBMUJFWSA-N	280.368	1.781	10	20	CDCD	
Nc1ccc(CNC(=O)[C@@H](O)C2CCCCC2)cc1	1342024009	ZDEKCMBZSWLQIN-AWEZNQCLSA-N	262.353	1.826	10	20	CDCD	
COC[C@](C)(CC(=O)O)NCc1cc(OC)ccc1O	1606785821	ZRHMICQAUIMILG-AWEZNQCLSA-N	283.324	1.370	10	20	CDCD	
CNCCCN(C)Cc1c(C)cc(OC)cc1O	1578687429	OIWQDTCTEHGSNJ-UHFFFAOYSA-N	252.358	1.751	10	20	CDCD	
Oc1cc2c(cc1CNC[C@@H]1CCC[C@@H](O)C1)OCO2	230667401	ATGKNDLAMUYFSB-ZYHUDNBSSA-N	279.336	1.762	10	20	CDCD	
C[C@@H](N[C@@H]1CCCOC1)c1cccc(-c2nn[nH]n2)c1O	1589973226	DVBYDKQENFLRAE-NXEZZACHSA-N	289.339	1.402	10	20	CDCD	
NC(=O)c1ccc(/C=C/C(=O)Nc2ccc(N)cc2)o1	1580102344	CMSACHGTDMGKCS-SOFGYWHQSA-N	271.276	1.613	10	20	CDCD	
CN(Cc1ccccc1O)S(=O)(=O)C1(C(=O)O)CCC1	1598530908	YTAPFQAAJNUWOE-UHFFFAOYSA-N	299.348	1.161	10	20	CDCD	
COc1cccc(CNC(=O)c2ccc(C(=O)O)o2)c1O	1599674104	WSZKFTVQYZRZRV-UHFFFAOYSA-N	291.259	1.622	10	20	CDCD	
CC(C)S(=O)(=O)CCNCc1ccccc1O	232790612	YXFVPSLKRAGOCU-UHFFFAOYSA-N	257.355	1.305	10	20	CDCD	
O=C1NC(=S)S/C1=C/c1csc(C(=O)O)c1	1777698972	WGLBKVBCSYBNNF-ORCRQEGFSA-N	271.344	1.935	10	20	CDCD	
CCN(CC)CCCNC(=O)Cc1ccc(N)cc1	22164085	ZTRJKFOFELUCME-UHFFFAOYSA-N	263.385	1.659	10	20	CDCD	
C[C@@H]1CCC[C@]1(O)CNC(=O)c1cccc(O)c1O	294389404	SLTNWJGWIKSHAS-OTYXRUKQSA-N	265.309	1.379	10	20	CDCD	
CC(C)[C@@H](NCc1cc(F)cc(F)c1O)C(=O)O	708074781	FULBVDREEORBCP-SNVBAGLBSA-N	259.252	1.869	10	20	CDCD	
CCc1cc(C(=O)NCc2ccc(N(C)C)cc2)[nH]n1	28868767	IUADHHMFJUHIGA-UHFFFAOYSA-N	272.352	1.968	10	20	CDCD	
COCCCNC(=O)CN(C)Cc1cccc(C)c1O	179619376	IHHMFHGBDJWDGX-UHFFFAOYSA-N	280.368	1.285	10	20	CDCD	
CCOCC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	120825049	ZBIMGCJUMQFBIV-CQSZACIVSA-N	293.363	1.936	10	20	CDCD	
COC[C@@H]1CCN(C(=O)c2cccc(O)c2O)C1	126444440	STXQPIZXTHYJBJ-SECBINFHSA-N	251.282	1.206	10	20	CDCD	
CS[C@H](C)CNC(=O)c1ccc(C)c(O)c1O	182889311	XXIARWFJMLSJAJ-MRVPVSSYSA-N	255.339	1.888	10	20	CDCD	
C[C@H]1OCC[C@]1(O)CNCc1ccc(N2CCCC2)cc1	227982006	NDMYGBJYQKDGIV-PBHICJAKSA-N	290.407	1.916	10	20	CDCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CN	40855898	QAZXUICVRNQGEP-UHFFFAOYSA-N	261.369	1.594	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@@H]1CCn2cncc2C1	135970910	XNNQRVSCNAOUCG-GFCCVEGCSA-N	285.347	1.810	10	20	CDCD	
O=C(Cc1ccccc1C(=O)O)NCc1ccccc1O	228402178	ZBWMYUAEPORXHW-UHFFFAOYSA-N	285.299	1.949	10	20	CDCD	
CNC(=O)CC1CCN(Cc2cccc(OC)c2O)CC1	93588343	GCNRYGPUYJUKNH-UHFFFAOYSA-N	292.379	1.749	10	20	CDCD	
C=CCCOCC(=O)NCc1ccc(N(C)C)cc1	143424668	YWKZDXHSCLVQKE-UHFFFAOYSA-N	262.353	1.962	10	20	CDCD	
Nc1ccc(CC(=O)N2CCO[C@@H]([C@H]3CCCO3)C2)cc1	237894009	VINIHMHXAYLYRW-HUUCEWRRSA-N	290.363	1.218	10	20	CDCD	
CSC[C@@H](C)C(=O)NCCc1ccc(N)cc1	237355969	IRBWGWFYQYQSRU-SNVBAGLBSA-N	252.383	1.927	10	20	CDCD	
Cc1nscc1C(=O)NCCc1ccc(O)c(O)c1	182261504	PFQONYQLWLWCOD-UHFFFAOYSA-N	278.333	1.835	10	20	CDCD	
CCOC[C@H]1CN(Cc2cc(OC)c(C)cc2O)CCO1	530106012	KCKRBJJZKWJJBA-CQSZACIVSA-N	295.379	1.947	10	20	CDCD	
C[C@@H](NCc1nnc2n1CCC2)c1cc(F)ccc1O	273303118	CCRRNKKHJYJDQA-SECBINFHSA-N	276.315	1.920	10	20	CDCD	
Oc1ccccc1CNC1CCN(c2cccnn2)CC1	277683988	PXEQSQUJUIFOOT-UHFFFAOYSA-N	284.363	1.941	10	20	CDCD	
COc1cccc(CN2CC[C@@H]([C@@H](C)O)C2)c1O	272559704	SXBRBXPLXZECGC-GHMZBOCLSA-N	251.326	1.604	10	20	CDCD	
C[C@H]1NC(=O)N(Cc2ccc(N(C)C)c(F)c2)C1=O	272395400	KDHXICASDOZVRT-MRVPVSSYSA-N	265.288	1.332	10	20	CDCD	
C[C@@H](N[C@H]1CC(=O)N(C)C1)c1ccc(F)c(F)c1O	276935609	OXWAGERGUNSWFR-SFYZADRCSA-N	270.279	1.552	10	20	CDCD	
C[C@@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)N(C)C	272395170	HIOHSSKCTQPNNP-STUBTGCMSA-N	264.325	1.177	10	20	CDCD	
C[C@H]1C[C@@H](C)O[C@H]1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	282698979	JSRZQIJIKLYGDQ-MYQWFSQQSA-N	293.363	1.959	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2CCC[C@H](O)CC2)c1O	294188936	XGHRHCHPRASTCX-NSHDSACASA-N	296.323	1.656	10	20	CDCD	
CC(=O)C(=O)Cn1cnc2cc(F)c(C)cc2c1=O	808030914	GFSDEMNIKMEWPB-UHFFFAOYSA-N	262.240	1.002	10	20	CDCD	
Oc1cc2c(cc1CN1CCC[C@H](O)CC1)OCO2	293889854	DSBFUHCGZFCPEG-NSHDSACASA-N	265.309	1.468	10	20	CDCD	
COc1ccc(O)c([C@H](C)NCC2(CC(N)=O)CC2)c1	817410803	HLKYIDNEZJMXDQ-JTQLQIEISA-N	278.352	1.707	10	20	CDCD	
CCCCN(Cc1ccccc1O)C(=O)C(N)=O	822757310	WLKKECOYKBITJN-UHFFFAOYSA-N	250.298	1.006	10	20	CDCD	
COc1ncc(/C=C/C(=O)N(C)c2ccc(C)cn2)cn1	493763349	XVAWLDVCDSKWEK-FNORWQNLSA-N	284.319	1.865	10	20	CDCD	
CCOc1ccc(CN[C@@H](C)CN2CCOCC2)c(O)c1	725846030	QLQSGRDOYKYHCR-ZDUSSCGKSA-N	294.395	1.601	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@H]2C[C@]23CCNC3)cc1	825973799	QONVZUPWGSMPNG-ZBFHGGJFSA-N	273.380	1.368	10	20	CDCD	
C[C@H](NC(=O)c1cc(O)cs1)C(=O)NCc1ccco1	731870977	BILSHVDSEYWXSK-QMMMGPOBSA-N	294.332	1.481	10	20	CDCD	
CO[C@@H](C1CC1)[C@@H](C)NC(=O)c1cc(O)cs1	839786085	BNZMRMKKMHPVBC-RDDDGLTNSA-N	255.339	1.997	10	20	CDCD	
CCC1CCN(C(=O)C(=O)Nc2ccc(N)cc2)CC1	841018815	VINCAGZIYFGMHR-UHFFFAOYSA-N	275.352	1.856	10	20	CDCD	
Cc1ccc(O)c(CN[C@H](C(=O)O)c2ccnn2C)c1	843038402	HEUCRIJLZVRVAJ-ZDUSSCGKSA-N	275.308	1.350	10	20	CDCD	
CC(C)CCCNC(=O)C(=O)Nc1ccc(N)cc1	841006217	CSELMLOLJWJZMT-UHFFFAOYSA-N	263.341	1.760	10	20	CDCD	
CCOc1ccc(O)c(CN[C@H]2CCCN(C)C2=O)c1	748242782	QJQVJYWELPNULJ-ZDUSSCGKSA-N	278.352	1.501	10	20	CDCD	
COc1cc(O)c(CNCC[C@H]2CCNC2)cc1OC	841037125	SMNMCWXORNITPL-LLVKDONJSA-N	280.368	1.499	10	20	CDCD	
CN1N=C(C(=O)NCc2cc(Cl)ccc2O)CCC1=O	846480771	XCCQMUKYVNMJCZ-UHFFFAOYSA-N	295.726	1.270	10	20	CDCD	
Cc1cc(N(C)C)ccc1C[C@H](C)N1C(=O)N[C@H](C)C1=O	842265191	QCAUCPCXYWMBLW-NWDGAFQWSA-N	289.379	1.932	10	20	CDCD	
CCC[C@H]1CNCCN1Cc1cc(OC)ccc1O	843057295	ACIUHPMKPKIARX-ZDUSSCGKSA-N	264.369	1.975	10	20	CDCD	
CC1=NO[C@@H](CNC(=O)c2c(F)ccc(O)c2O)C1	857276563	QZSUGSOHSKEBPA-SSDOTTSWSA-N	268.244	1.132	10	20	CDCD	
COc1ccc(CNC(=O)[C@H]2NCCC2(C)C)c(O)c1	852889099	BRBOMSCPQIIRDG-CYBMUJFWSA-N	278.352	1.405	10	20	CDCD	
O=[N+]([O-])c1cc(Cl)cc(CNC/C=C/CO)c1O	850357213	BENDNQALUPWMJW-OWOJBTEDSA-N	272.688	1.592	10	20	CDCD	
CCCCN(CC(N)=O)Cc1cc2c(cc1O)OCO2	132875339	XYZAEMOWCBDVFC-UHFFFAOYSA-N	280.324	1.208	10	20	CDCD	
CCOc1ccc(CN2CCC[C@@H](OCCO)C2)c(O)c1	769383882	NBCWTMPLQIDWOJ-OAHLLOKOSA-N	295.379	1.764	10	20	CDCD	
O=C(Nn1cc(Br)cn1)c1cc(O)cs1	765089751	XGPMCAYJSRYLTA-UHFFFAOYSA-N	288.126	1.797	10	20	CDCD	
CN(Cc1ccon1)Cc1cc2c(cc1O)OC[C@H]2O	768448984	YXJLYOIQJUFQJZ-CYBMUJFWSA-N	276.292	1.438	10	20	CDCD	
CNC(=O)C1(NCc2ccc(C)cc2O)CCCC1	877425284	FIPPRFCBNZJICT-UHFFFAOYSA-N	262.353	1.849	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NS(=O)(=O)NC2CC2)c1	772722194	DVHDFLJPGROZRG-MRVPVSSYSA-N	286.353	1.048	10	20	CDCD	
CCCNC(=O)CCCC(=O)N(C)c1ccc(N)cc1	877078388	OEVQJCJXSLCCEU-UHFFFAOYSA-N	277.368	1.928	10	20	CDCD	
C[C@@H](NC(=O)Cc1cc[nH]n1)c1ccc(N(C)C)cc1	775409367	FSYFDYIGIKLHGA-LLVKDONJSA-N	272.352	1.896	10	20	CDCD	
CC[C@H](CCO)NCc1ccc([N+](=O)[O-])c(OC)c1O	775025156	TYQPRMDDZAXQIT-SNVBAGLBSA-N	284.312	1.560	10	20	CDCD	
CNCc1cn(Cc2cc(Cl)cc(C(C)=O)c2O)nn1	880999328	KYWFDVGPSJKNBO-UHFFFAOYSA-N	294.742	1.607	10	20	CDCD	
CC(C)N(C)C(=O)[C@H](C)OC(=O)c1cccc(O)c1O	784788177	QLFDBYSUWBUODZ-VIFPVBQESA-N	281.308	1.510	10	20	CDCD	
Cc1ccc(C(=O)NCc2ccc(F)cn2)c(O)c1O	780983121	JNEQLFJZZFWFOO-UHFFFAOYSA-N	276.267	1.870	10	20	CDCD	
Cc1ccc(C(=O)N(C)C[C@@H](O)C2CC2)c(O)c1O	780969776	OJXXDXRFSIAWDV-LLVKDONJSA-N	265.309	1.249	10	20	CDCD	
CN(C)c1ccc(CN2CC(N3CCCC3=O)C2)cc1F	897785923	BSUWLSRVPUTCQD-UHFFFAOYSA-N	291.370	1.698	10	20	CDCD	
COc1ccc(CNC(=O)[C@H](O)c2ccccc2)c(O)c1	794388391	RPZFWXGLZAMNNC-OAHLLOKOSA-N	287.315	1.751	10	20	CDCD	
COc1ccc(CNC(=O)NC[C@@H]2CCCCO2)c(O)c1	792919034	ZYJZOPJLMNKDCI-ZDUSSCGKSA-N	294.351	1.769	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)c1ccnc(F)c1	768904367	WROJNOUUCWIMGK-UHFFFAOYSA-N	276.267	1.604	10	20	CDCD	
CCN(CCS(C)(=O)=O)Cc1cc(C)ccc1O	93816195	JWIDYYBBEQUYEG-UHFFFAOYSA-N	271.382	1.567	10	20	CDCD	
CCN(CC)c1ccc(CNC[C@H](OC)C(=O)O)cc1	1331997207	ZUTRERFHKCMACR-AWEZNQCLSA-N	280.368	1.722	10	20	CDCD	
Nc1ccc(CN2CCS(=O)(=O)[C@H]3CCCC[C@@H]32)cc1	1262488269	WPPHSGRWQPXZQC-GJZGRUSLSA-N	294.420	1.810	10	20	CDCD	
COC(=O)c1cnc(SC[C@@H]2CN(C)C(=O)O2)s1	1261262571	CJYXOBJMIIQXFY-LURJTMIESA-N	288.350	1.472	10	20	CDCD	
C[C@H](Cc1cnc[nH]1)C(=O)N(C)c1ccc(N)cc1	1341477332	MALGMIJQRQGBBB-SNVBAGLBSA-N	258.325	1.834	10	20	CDCD	
O=C(O)[C@H]1CCN1C(=O)c1cc2cc(O)c(O)cc2s1	1608638771	HIIPVRLVKHGYMY-SSDOTTSWSA-N	293.300	1.612	10	20	CDCD	
C[C@H](NC(=O)c1c[nH]c(-c2nn[nH]n2)c1)c1ccccc1O	1605439628	RNYLYORMYCJQQJ-QMMMGPOBSA-N	298.306	1.391	10	20	CDCD	
O=C(O)c1cnc(SCCn2cccn2)s1	1610863205	STLFQSMCRBYMCU-UHFFFAOYSA-N	255.324	1.830	10	20	CDCD	
C[C@H]1CCN[C@@H](C(=O)N2Cc3cccc(O)c3C2)C1	1576744423	JAOAFGRGZPMFCL-GXFFZTMASA-N	260.337	1.623	10	20	CDCD	
O=C(C[C@]1(O)CCCNC1)NCc1cc(Cl)ccc1O	1580497543	BJOGINHVVTVSET-CQSZACIVSA-N	298.770	1.166	10	20	CDCD	
CN(Cc1ccccc1O)c1cccnc1-c1nn[nH]n1	1591147810	WAYLKQGNDSBJIJ-UHFFFAOYSA-N	282.307	1.604	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN(C)C[C@@H](C)C(=O)O)c1O	1594048562	SSQZMNZCFZNQSB-MRVPVSSYSA-N	298.295	1.462	10	20	CDCD	
Clc1cnc(Sc2cc(-c3nn[nH]n3)cnn2)s1	1592538776	OWQRPKQUDISAHA-UHFFFAOYSA-N	297.756	1.918	10	20	CDCD	
C[C@H]1CN(Cc2cc(F)c(F)cc2O)C[C@@H](C(=O)O)O1	1599930039	LWXISNIZGJHLHK-MADCSZMMSA-N	287.262	1.344	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@]1(O)CCSC1	158076236	SDKHUHSJUYDABK-ZDUSSCGKSA-N	267.350	1.219	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@H]1CCCS(=O)(=O)C1	816889248	QZKZNXSTHMRAOU-LBPRGKRZSA-N	297.376	1.175	10	20	CDCD	
CSC[C@@](C)(O)CNCc1c(C)cccc1O	877055614	CUQMNBCVYWZCIJ-ZDUSSCGKSA-N	255.383	1.904	10	20	CDCD	
COc1ccc(O)c([C@H](C)NCCNC(=O)C(C)C)c1	20125292	LWUNMODWZCAITO-NSHDSACASA-N	280.368	1.824	10	20	CDCD	
CSC[C@@H](C)NC(=O)NCc1ccccc1O	76978996	HEBSGCQPZCIFGB-SECBINFHSA-N	254.355	1.943	10	20	CDCD	
CCCCN1CC(=O)N[C@@H]1c1cc(F)ccc1O	77476169	XCXKBSHBYFXKBM-ZDUSSCGKSA-N	252.289	1.762	10	20	CDCD	
O=C1NC[C@@H]2CN(Cc3c(O)ccc(Cl)c3F)CCN12	191436943	VRZJOJGNTBYODN-MRVPVSSYSA-N	299.733	1.394	10	20	CDCD	
C[C@H](NCc1cc([N+](=O)[O-])ccc1O)[C@H]1CCOC1	266154203	LJVQYVXIOYTOAS-UWVGGRQHSA-N	266.297	1.815	10	20	CDCD	
CCN1CCC[C@H]1CNC(=O)c1ccc(C)c(O)c1O	267613532	RZMHZYKCKLTMDU-NSHDSACASA-N	278.352	1.620	10	20	CDCD	
Cc1ccc(C(=O)NC2=NO[C@@H](C)C2)c(O)c1O	272959003	JHEVZAGOFQXKED-ZETCQYMHSA-N	250.254	1.258	10	20	CDCD	
CN1CCCc2cc(CN3C(=O)[C@@H]4CCCN4C3=O)ccc21	272479717	RMDPDHDBWXSFCH-HNNXBMFYSA-N	299.374	1.996	10	20	CDCD	
CN(C)c1ccc([C@H]2NC(=O)[C@@H]3CSCCN23)cc1F	270753088	CQXRZWXTTRICBM-STQMWFEESA-N	295.383	1.438	10	20	CDCD	
CC(=O)C(=O)CSc1nc(=O)cc(O)n1C1CCCC1	289668676	OZDCAIZAFUWGGF-UHFFFAOYSA-N	296.348	1.314	10	20	CDCD	
C[C@H](NCC1([S@](C)=O)CC1)c1cc([N+](=O)[O-])ccc1O	282498927	XZQBDIDLVJIIRG-LXGOIASLSA-N	298.364	1.862	10	20	CDCD	
C[C@@H](NCCCc1cnn(C)n1)c1cc(F)ccc1O	293864273	ZEDPFAZKWGIEJE-SNVBAGLBSA-N	278.331	1.943	10	20	CDCD	
O=C(NC[C@H]1CCSC1)c1c(F)ccc(O)c1O	296096585	DHHQDJJICCIHEU-SSDOTTSWSA-N	271.313	1.720	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC[C@@H](O)CN(C)C2CC2)c1	809972077	QHFBJHVEBPQARM-DGCLKSJQSA-N	294.395	1.507	10	20	CDCD	
COC(=O)c1cc(C)nc(NCc2ccccc2O)n1	804398978	YDQLCQLHYBLUDT-UHFFFAOYSA-N	273.292	1.889	10	20	CDCD	
Cn1c2c(c3cc(OCC(N)=O)ccc31)CCCC2	647164437	VMVYVCZLWKGRJJ-UHFFFAOYSA-N	258.321	1.921	10	20	CDCD	
CN1C[C@@H]2CCCN(C(=O)c3cccc(O)c3O)[C@@H]2C1	819718081	CUCQPANHBFLAFT-CMPLNLGQSA-N	276.336	1.264	10	20	CDCD	
CC1(C)CN(Cc2ccccc2O)C[C@H](CO)O1	817413436	XWDOZUZYMXQSCK-GFCCVEGCSA-N	251.326	1.364	10	20	CDCD	
C[C@@H](NC[C@@H]1C[C@H](F)CN1)c1cc([N+](=O)[O-])ccc1O	817976894	WNOZAMKKJMDJIV-UTLUCORTSA-N	283.303	1.651	10	20	CDCD	
CCOC(=O)[C@@H]1C[C@H]1C(=O)NCc1cc(Cl)ccc1O	823986129	HOZGKEAUAAMCEZ-GHMZBOCLSA-N	297.738	1.861	10	20	CDCD	
Cc1cc(O)c(CNC[C@H]2CCCNC2=O)cc1C	839195344	HFBQRFCCGWWBEI-GFCCVEGCSA-N	262.353	1.625	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1	839547869	LLVCBFQDZHUGEH-ZIAGYGMSSA-N	291.351	1.814	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)CCNC(=O)O)c1	738040944	DJZMQKMGRKHZNM-MRVPVSSYSA-N	282.296	1.236	10	20	CDCD	
CCO[C@@H]1COC[C@H]1N[C@@H](C)c1cc(F)ccc1O	834903588	IZEMHGFDPKCZDD-MRCXROJRSA-N	269.316	1.986	10	20	CDCD	
COc1cc(O)c(CN[C@@H](C(=O)O)C(C)(C)C)cc1OC	833729046	OZPKZCHQXUJKIA-ZDUSSCGKSA-N	297.351	1.998	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2	910943404	BRCFFZNURFQEGM-AXTRIDKLSA-N	275.304	1.329	10	20	CDCD	
CCc1cccc(CN[C@]2(CCO)CCOC2)c1O	848907526	OZYVBFHHNKDCBK-OAHLLOKOSA-N	265.353	1.586	10	20	CDCD	
COc1cc(O)c(CN(C)C2(CN)CCC2)cc1OC	843125236	OOVPMDJWNLVCFM-UHFFFAOYSA-N	280.368	1.723	10	20	CDCD	
C[C@H](NC(=O)c1ccoc1)C(=O)NCc1ccccc1O	748346511	ZLLFBTPXQHRPPA-JTQLQIEISA-N	288.303	1.420	10	20	CDCD	
C[C@@H](O)C[C@@H]1CCCN1C(=O)NCCc1ccc(N)cc1	841958969	JFWAKCLANQMNCK-DOMZBBRYSA-N	291.395	1.756	10	20	CDCD	
COc1cccc(O)c1CN[C@H](CCN)C(F)(F)F	841090587	LRVRLNVCAVQFCT-LLVKDONJSA-N	278.274	1.770	10	20	CDCD	
O=S(=O)(NCc1cc(Cl)ccc1O)C1CC1	845996465	PVRRNXDDSJPWGM-UHFFFAOYSA-N	261.730	1.627	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1C[C@H](O)C1	853748596	HPDCPVFFLCGVQX-MQMHXKEQSA-N	277.368	1.384	10	20	CDCD	
CN(C)c1cc(F)c(CNC[C@H]2COCCO2)cc1F	858100944	SZWHDCPRBSQSPK-NSHDSACASA-N	286.322	1.536	10	20	CDCD	
CCOc1ccc(CNC[C@@]2(O)CCOC2)c(O)c1	754839870	HSYCIXPKBZMAFI-AWEZNQCLSA-N	267.325	1.032	10	20	CDCD	
Cc1cc(C(=O)NCCN2CCC2)c(C)n1-c1ccccn1	752296565	VEKKDJCWGREVKQ-UHFFFAOYSA-N	298.390	1.925	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H](C)OC)c1	852536771	IAMAEJJWLSRFQN-ZJUUUORDSA-N	282.340	1.796	10	20	CDCD	
CCO[C@@H](C(=O)OCC(=O)c1ccc(O)c(O)c1)C1CC1	859866208	ICLVMHWKQVQKNE-CQSZACIVSA-N	294.303	1.639	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H](C)[C@H](O)CC	935945348	UJDSKCOIKAWYIN-WDEREUQCSA-N	286.368	1.901	10	20	CDCD	
CO[C@@H]1CCN(Cc2ccc(N3CCOCC3)c(F)c2)C1	769445048	CXJCSBDTFJSTBE-CQSZACIVSA-N	294.370	1.883	10	20	CDCD	
CO[C@@H]1CCN(Cc2cc3c(cc2O)OC[C@H]3O)C1	768464735	SWWZERAQXNWLFI-ZWNOBZJWSA-N	265.309	1.039	10	20	CDCD	
C[C@H](NC(=O)c1cc(O)cs1)C(=O)NCC(F)(F)F	1118556618	ZSNFKCIZRDZUIH-YFKPBYRVSA-N	296.270	1.251	10	20	CDCD	
CN(C)c1nc(NCc2cc(F)c(N(C)C)cc2F)n[nH]1	1118858965	AFOLMEMSVFTAHI-UHFFFAOYSA-N	296.325	1.827	10	20	CDCD	
CC[C@@]1(O)CCN(Cc2cc(OC)c(OC)cc2O)C1	779215568	CIGFKFKRVNQOOU-OAHLLOKOSA-N	281.352	1.756	10	20	CDCD	
COc1cccc(CN2CCC3(CCNC3=O)CC2)c1O	877783113	DPOMQDJZKGSYNX-UHFFFAOYSA-N	290.363	1.503	10	20	CDCD	
COC(=O)C[C@H]1CN(Cc2ccc(C)cc2O)CCO1	876746002	HVLLFZOQUCGXLW-ZDUSSCGKSA-N	279.336	1.465	10	20	CDCD	
CCOCCOC1CN(Cc2ccc(C)cc2O)C1	877164850	DMSKDQVXAQWUPZ-UHFFFAOYSA-N	265.353	1.938	10	20	CDCD	
C[C@@](O)(CNC(=O)/C=C\c1ccc(O)c(O)c1)C1CC1	779525084	IIUCLIFVDLREAW-YFUKIHRRSA-N	277.320	1.388	10	20	CDCD	
CCOc1ccc(CN2CCN3C(=O)NC[C@H]3C2)c(O)c1	770287129	SPRJLEMKRASPEI-LBPRGKRZSA-N	291.351	1.000	10	20	CDCD	
CCN(CC)c1ccc(CN[C@H](CO)C(=O)O)cc1	75423934	IWQAXMMATZPRQV-CYBMUJFWSA-N	266.341	1.068	10	20	CDCD	
CCNC(=O)[C@@H](C)N[C@@H](C)c1c(O)cccc1F	886491924	WOZMFMDFCBFKNL-DTWKUNHWSA-N	254.305	1.707	10	20	CDCD	
CC(C)(NCc1ccc(N2CCOCC2)cc1)C(=O)O	789897942	QLMSNLQGOPNGHD-UHFFFAOYSA-N	278.352	1.476	10	20	CDCD	
Cc1cc(C(=O)NN2CCCC2=O)c(C)n1-c1ccccn1	780701682	VKQJDFPJJIITMU-UHFFFAOYSA-N	298.346	1.756	10	20	CDCD	
C[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1ncnn1C	789864866	NAXRSTMLYCUIHJ-RNEXMXFGSA-N	288.307	1.117	10	20	CDCD	
COCCN1CC[C@H](NCc2cccc(Cl)c2O)C1	271856239	UZRDZSHURSJBBA-LBPRGKRZSA-N	284.787	1.856	10	20	CDCD	
COc1ccc(CN[C@@H](C)C(C)(C)O)c(O)c1OC	898119502	RCEHEQPQNUKKPK-VIFPVBQESA-N	269.341	1.658	10	20	CDCD	
O=C1CCCN1C1CN(Cc2cc(Cl)c(F)cc2O)C1	897783477	DESYXJPFXFSLON-UHFFFAOYSA-N	298.745	1.991	10	20	CDCD	
CC(C)n1ccc(CNC(=O)c2cccc(O)c2O)n1	790761058	KUVSJQGPIKYYRU-UHFFFAOYSA-N	275.308	1.805	10	20	CDCD	
CCOc1cccc(CN(C)C[C@@H](C)C(=O)NC)c1O	93899055	GTIUKELDIZMDGV-LLVKDONJSA-N	280.368	1.605	10	20	CDCD	
NC(=O)[C@@H]1CC[C@H](NCc2ccc3c(c2)CCCO3)C1	922165317	FDRFWXNRVZXSJK-KGLIPLIRSA-N	274.364	1.755	10	20	CDCD	
CNC[C@@H]1CCCCN1C(=O)Cc1ccc(O)c(O)c1	1578731396	UICXSTYGPNAIEP-LBPRGKRZSA-N	278.352	1.241	10	20	CDCD	
Cn1ccnc1CCNC(=O)/C=C/c1ccc(O)c(O)c1	1179690725	XHLXHLLVANXJLM-HWKANZROSA-N	287.319	1.203	10	20	CDCD	
COC(=O)NC1CN(Cc2ccc(C)cc2O)C1	1330639401	PLOVWGMXIPLPAB-UHFFFAOYSA-N	250.298	1.241	10	20	CDCD	
COC[C@H](NCc1cc(F)c(N(C)C)cc1F)C(=O)O	1261845916	SABAPGCZJNZCGL-NSHDSACASA-N	288.294	1.220	10	20	CDCD	
C[C@@]1(C(=O)NCc2c(O)cccc2F)CCCNC1	1354864001	BJWNELHPPKUWPA-CQSZACIVSA-N	266.316	1.537	10	20	CDCD	
C[C@@H]1O[C@H](C)C[C@H]1C(=O)NCc1cccc(O)c1O	1352673002	ZGZWEHIQLGYNKU-WCABBAIRSA-N	265.309	1.528	10	20	CDCD	
C[C@H](N[C@H]1CNCC[C@@H]1C)c1cc(C(=O)O)ccc1O	1609774840	CFBAXJIAAHVVHV-KWBADKCTSA-N	278.352	1.739	10	20	CDCD	
CCCNC(=O)CN[C@@H](C)c1cc(C(=O)O)ccc1O	1605330357	AZUUFQDBCKWJIU-VIFPVBQESA-N	280.324	1.267	10	20	CDCD	
CC[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C(=O)O	1593622218	VWORJDWHGLWLSB-VIFPVBQESA-N	278.268	1.442	10	20	CDCD	
COc1cc(C)cc(CN[C@H]2CC=C(C(=O)O)C2)c1O	1599392948	WYSXUFGSSJJTCQ-LBPRGKRZSA-N	277.320	1.972	10	20	CDCD	
CCN1CCc2cc(CNC[C@H](F)C(=O)O)ccc21	1776877756	UTRKDAXHVJCSAS-LBPRGKRZSA-N	266.316	1.581	10	20	CDCD	
CCCN(CCO)Cc1cc2c(cc1O)OCO2	161229571	UNKJZSMIPJKYPW-UHFFFAOYSA-N	253.298	1.325	10	20	CDCD	
CCOc1ncccc1C(=O)NCc1ccc(O)c(O)c1	158896983	DDYGIQYJAYCQHI-UHFFFAOYSA-N	288.303	1.822	10	20	CDCD	
O=C(NCc1ccccc1O)c1cccc(O)c1O	126577970	LEYZVBWPFGWKFF-UHFFFAOYSA-N	259.261	1.733	10	20	CDCD	
O=S1(=O)CC[C@H](NCc2ccc3c(c2)CCCO3)C1	921498641	JYRGFXLYFNYYMI-ZDUSSCGKSA-N	281.377	1.288	10	20	CDCD	
CON(C)CCN[C@H](C)c1ccc(N(C)C)cc1	850479989	HWQPLKKMNHPWSA-GFCCVEGCSA-N	251.374	1.896	10	20	CDCD	
Cc1cccc(O)c1CN(C)CC(=O)N1CCCC1	876552660	YCVYFTSSQIGQOR-UHFFFAOYSA-N	262.353	1.755	10	20	CDCD	
COc1ccc(N(C)C[C@]2(OC)CCOC2)cc1	877609070	FIRATYFZZAHYLP-CQSZACIVSA-N	251.326	1.937	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)CC[C@H]1CCCN1	292174181	WHMKRHXKXWAQLG-CYBMUJFWSA-N	262.353	1.883	10	20	CDCD	
COc1cc(Cl)cc(CN[C@H]2CCOC2)c1O	228676508	JOROSVKWLPKOCJ-JTQLQIEISA-N	257.717	1.933	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2ccc3nncn3c2)c1	114544379	PQMMGLTYEQBLSQ-UHFFFAOYSA-N	298.302	1.374	10	20	CDCD	
O=C(CC1CCOCC1)NCCc1ccc(O)c(O)c1	122180281	DPMLWKXCVCKMHA-UHFFFAOYSA-N	279.336	1.573	10	20	CDCD	
CCOC(=O)[C@H]1CCCN1Cc1cc(OC)ccc1O	180764835	TXAPBVPQVJETDK-CYBMUJFWSA-N	279.336	1.928	10	20	CDCD	
Cc1ccc(C(=O)NC[C@@H](O)c2ccsc2)c(O)c1O	182623462	GBZLWQWRIFTLDD-LLVKDONJSA-N	293.344	1.931	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccon1	185386967	CWGDBKOHFZDUJG-QMMMGPOBSA-N	262.265	1.447	10	20	CDCD	
COc1cccc(CN2CCC[C@](C)(O)C2)c1O	129527156	ZASMRFKQZBIVHQ-AWEZNQCLSA-N	251.326	1.748	10	20	CDCD	
Oc1cccc(Cl)c1CNC[C@@]1(O)CCOC1	229640465	HLHSBSUDRQABPU-LBPRGKRZSA-N	257.717	1.287	10	20	CDCD	
Cc1ccc(C)n1-c1ccsc1C(=O)Nc1nnn[nH]1	135474866	CLZJCLKXMAOELV-UHFFFAOYSA-N	288.336	1.921	10	20	CDCD	
OCCOCCNCc1ccc2c(c1)CCCO2	921492719	YMSCGKVLXNKXQR-UHFFFAOYSA-N	251.326	1.110	10	20	CDCD	
C[C@@H](CCO)CNCc1cc2c(cc1O)OCO2	97440200	BGTBZDYOVSOHII-VIFPVBQESA-N	253.298	1.229	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)C[C@H]1CCOC1	437027870	VMUDYSQGKSXAFO-GFCCVEGCSA-N	290.363	1.905	10	20	CDCD	
C[C@H](NCCn1cncn1)c1ccc(F)c(F)c1O	276925802	NEWAUSIPYOHBDW-QMMMGPOBSA-N	268.267	1.613	10	20	CDCD	
CCN(CC)CCNC(=O)c1c(F)ccc(O)c1O	276536069	IHZFPLGIWCJFMV-UHFFFAOYSA-N	270.304	1.309	10	20	CDCD	
Cc1cccc(CN2CC[C@@H](n3cncn3)C2)c1O	364514585	YDXKWVHEUBJEMT-CYBMUJFWSA-N	258.325	1.739	10	20	CDCD	
COc1ccc2c(c1)CCCCN2Cc1nc(=O)[nH][nH]1	271738708	VWMYOBBKUQBYIM-UHFFFAOYSA-N	274.324	1.450	10	20	CDCD	
CC[C@@](C)(O)CN[C@H](C)c1cc(C(=O)OC)ccc1O	273467255	FBNUZILNGAWLCF-MEBBXXQBSA-N	281.352	1.990	10	20	CDCD	
CC(C)n1cnc(C(=O)NCc2ccc(O)c(O)c2)c1	282559929	BBYWAGWBFPTMLE-UHFFFAOYSA-N	275.308	1.805	10	20	CDCD	
COc1ccc(C(C)=O)cc1CC(=O)OCC(=O)C(C)=O	808489840	GLGKWTNMKZXITB-UHFFFAOYSA-N	292.287	1.142	10	20	CDCD	
O=C(c1c[nH]nc1-c1cccnc1)N1CCCc2n[nH]cc21	566777335	NVCCJFWRMXQZGL-UHFFFAOYSA-N	294.318	1.788	10	20	CDCD	
Cc1nc(C(=O)OCC(=O)c2ccc(O)c(O)c2)co1	801394650	ITZHZBYMWLZBFZ-UHFFFAOYSA-N	277.232	1.434	10	20	CDCD	
CN1CCCc2cc(CNC(=O)C3(N)CCC3)ccc21	296166772	WWJPKWUDXCEAEZ-UHFFFAOYSA-N	273.380	1.567	10	20	CDCD	
COc1cc(N)c(Cl)cc1C(=O)OCC(=O)C(C)=O	808487377	IMZQJYOOACDNFJ-UHFFFAOYSA-N	285.683	1.246	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(C=O)c[nH]1	816028325	CQZAROGEFAMOAH-SECBINFHSA-N	288.303	1.599	10	20	CDCD	
COc1cccc(CNC(=O)NOC/C=C/Cl)c1O	812708512	TWLCEVPZGVOGOZ-ZZXKWVIFSA-N	286.715	1.884	10	20	CDCD	
Nc1ccc(CCNC(=O)[C@@H]2CNCCC2(F)F)cc1	818545333	YOYKLJVSAGAMAZ-LBPRGKRZSA-N	283.322	1.172	10	20	CDCD	
O=C(COC(F)(F)F)NCc1ccc(O)cc1O	822971664	HLDBHXAXVBCUAA-UHFFFAOYSA-N	265.187	1.250	10	20	CDCD	
Cc1ccc(O)c(CN2CCN(c3nccn3C)CC2)c1	827891284	GGBJNYKJTFKDNZ-UHFFFAOYSA-N	286.379	1.756	10	20	CDCD	
CCN(CCC(=O)NC)C(=O)Nc1ccc(N)cc1	904500052	IXJGNWSUZGIROW-UHFFFAOYSA-N	264.329	1.259	10	20	CDCD	
CCC(=O)[C@@H]1CCCN1C(=O)c1cccc(O)c1O	909353331	IVODOZGDHIEYHX-JTQLQIEISA-N	263.293	1.682	10	20	CDCD	
CN(Cc1cccc(C(N)=O)c1)C(=O)c1cc(O)cs1	732275549	KQBOJMKKOOFGRQ-UHFFFAOYSA-N	290.344	1.825	10	20	CDCD	
COCC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C	839916156	PBNFHDJINDZUSY-GFCCVEGCSA-N	264.369	1.755	10	20	CDCD	
COc1cc2c(c(OC)c1)N(Cc1nncn1C)CCC2	839656104	HCFYENKXSUIMKD-UHFFFAOYSA-N	288.351	1.785	10	20	CDCD	
Nc1ccc(CC(=O)N2CCC(Cn3ccnn3)CC2)cc1	831444138	XCESFYDFNULNOI-UHFFFAOYSA-N	299.378	1.342	10	20	CDCD	
CCOC(=O)[C@H](CC1CC1)NC(=O)c1cccc(O)c1O	832645618	MRUHBPIOOBHIOI-NSHDSACASA-N	293.319	1.559	10	20	CDCD	
C[C@@H](NC(=O)[C@@H]1[C@@H]2CCC(=O)[C@H]21)c1ccccc1O	913763695	OICHAQZJKUVSNW-UMGHXEBTSA-N	259.305	1.795	10	20	CDCD	
CO[C@H]1CCN(C(=O)c2ccc(C)c(O)c2O)C[C@H]1C	836839078	XTYYPBMFQIUHRY-PWSUYJOCSA-N	279.336	1.903	10	20	CDCD	
CC(C)[C@@H](CCO)NC(=O)NCCc1ccc(N)cc1	841954765	PFVSBCCFFNCTPU-CQSZACIVSA-N	279.384	1.518	10	20	CDCD	
COC(=O)[C@@H]1COCCN1Cc1ccc(N(C)C)cc1C	840917579	KSRGQFKFKMAKJM-HNNXBMFYSA-N	292.379	1.435	10	20	CDCD	
CN(C)c1ccc([C@H](N)CNC(=O)C(C)(C)F)cc1	844162415	BFWBCFIKLFJKFY-GFCCVEGCSA-N	267.348	1.617	10	20	CDCD	
CC(=O)N1CC[C@@H](N[C@@H](C)c2cc(C)ccc2O)C1	857084646	ZUEYYECLHLGGHU-WCQYABFASA-N	262.353	1.972	10	20	CDCD	
COc1ccc(O)c(CN2C[C@@H]3CCC[C@]3(N)C2)c1	857225997	CLHVGJZAHOMTET-WFASDCNBSA-N	262.353	1.714	10	20	CDCD	
CCN(C)c1ccc(CN[C@](C)(CO)C(=O)OC)cc1	852158921	JWFHLYVGXMKUST-OAHLLOKOSA-N	280.368	1.156	10	20	CDCD	
C[C@@H](OC(=O)c1cccc(O)c1O)c1nnnn1C1CC1	758582447	SNYQWPDWSYXLHE-SSDOTTSWSA-N	290.279	1.337	10	20	CDCD	
CNC(=O)N1CCN(c2ccc(OC)cc2OC)CC1	864417459	ZVVUWMMGWZHMHP-UHFFFAOYSA-N	279.340	1.165	10	20	CDCD	
COCCCN(C)Cc1cc2c(cc1O)OC[C@@H]2O	768439452	HQSIVMTXXQECGN-ZDUSSCGKSA-N	267.325	1.286	10	20	CDCD	
C[C@H](NC(=O)N1CCC(O)CC1)c1ccc(N(C)C)cc1	776249366	NLEFLHJVVPPGKG-LBPRGKRZSA-N	291.395	1.980	10	20	CDCD	
COCC[C@]1(NCc2ccc(C)cc2O)CCOC1	877481364	FNHSRVADIGAOOH-HNNXBMFYSA-N	265.353	1.986	10	20	CDCD	
COc1cc(C)cc(CN[C@@H](C)CS(C)(=O)=O)c1O	1119510637	VXOWUEXSNMQBMD-JTQLQIEISA-N	287.381	1.232	10	20	CDCD	
Cc1nccc(NC(=O)NCCc2ccc(O)c(O)c2)n1	776493797	VTIMTBWYAMCWAR-UHFFFAOYSA-N	288.307	1.560	10	20	CDCD	
C[C@@H](NC(=O)N1CCOCC1)c1ccc(N(C)C)cc1	773090565	YMNZMAFUNCIXCC-GFCCVEGCSA-N	277.368	1.855	10	20	CDCD	
CC[C@@H]1C[C@H](C(=O)NCc2ccc(O)c(O)c2)CCO1	780984693	LTCMLFVUJUHWOR-VXGBXAGGSA-N	279.336	1.919	10	20	CDCD	
COc1cc(C)cc([C@@H]2NC(=O)[C@H]3C[C@@H](C)CCN32)c1O	887329624	KZANCNPKVDOWDS-TURKWSHLSA-N	290.363	1.938	10	20	CDCD	
Cc1ccc(C(=O)N(C)CC(=O)N2CCCC2)c(O)c1O	780858382	GDTNTBMYUMESBE-UHFFFAOYSA-N	292.335	1.101	10	20	CDCD	
CC(C)OCC(=O)NCCc1ccc(O)c(O)c1	270547578	NBUPYACJBLPOGC-UHFFFAOYSA-N	253.298	1.182	10	20	CDCD	
CC[C@H](CN1CCOCC1)NCc1cc(OC)ccc1O	896622078	SYOLOVDNDADUSU-CQSZACIVSA-N	294.395	1.601	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@H]1CCC[C@@H](C(N)=O)C1	787119467	BLKRQGRHPRHQON-NEPJUHHUSA-N	290.363	1.642	10	20	CDCD	
CCCNC(=O)[C@H](C)N[C@H](C)c1ccccc1O	36959794	ZOIFSYPGYMDMKN-MNOVXSKESA-N	250.342	1.958	10	20	CDCD	
COc1ccc(O)c(CNC[C@H]2CC[C@@H](O)C2)c1	187986685	QEHRNRVTVRUSCJ-CMPLNLGQSA-N	251.326	1.651	10	20	CDCD	
COCCN(C[C@H](C)O)c1ccc(OC)c(OC)c1	192760491	AWRRVZVLEXGKRM-NSHDSACASA-N	269.341	1.537	10	20	CDCD	
CN(C)c1ccc(CNC[C@@H]2[C@@H](C(=O)O)C2(F)F)cc1	715336096	VRQZOVFSZYIKFQ-NEPJUHHUSA-N	284.306	1.808	10	20	CDCD	
COc1ccc(CNC(=O)[C@]2(C)CCOC2)c(O)c1	794372655	BWHOCVRIGKYQAX-CQSZACIVSA-N	265.309	1.444	10	20	CDCD	
COc1ccc(CNC(=O)[C@H]2CCOC2)c(O)c1	794381022	IBGORMPLPDBEAG-JTQLQIEISA-N	251.282	1.054	10	20	CDCD	
O=C(NCc1nnc(C2CC2)o1)c1cccc(O)c1O	793871467	GIOZTBGUICEXSF-UHFFFAOYSA-N	275.264	1.288	10	20	CDCD	
COc1cccc(O)c1CN1C[C@H](C)O[C@@]2(CCOC2)C1	793363692	VELOZZLILZEFFW-LRDDRELGSA-N	293.363	1.781	10	20	CDCD	
COc1ccc(CNC(=O)CCn2cc(C)cn2)c(O)c1	794389297	KLEJISZOMYRXNX-UHFFFAOYSA-N	289.335	1.612	10	20	CDCD	
COc1cccc(O)c1CN[C@@H]1C[C@@H](O)C1(C)C	778193310	ZKLDBUBTNUZFQI-CHWSQXEVSA-N	251.326	1.650	10	20	CDCD	
CNC(=O)[C@H](C)CN(C)Cc1cccc(OC)c1O	93899380	SMFBWAWIONKSAX-SNVBAGLBSA-N	266.341	1.215	10	20	CDCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2NC[C@]1(O)CCN(C)C1	1320514177	OSSWJTQQXMPPEV-PBFPGSCMSA-N	290.407	1.905	10	20	CDCD	
O=C(OCC[C@@H]1CCOC1)c1cccc(O)c1O	1324664873	CNRADMPFFIDGHY-VIFPVBQESA-N	252.266	1.681	10	20	CDCD	
CNC(=O)C1(NCc2cc(F)cc(F)c2O)CCCC1	1333714755	OLFHQPJEYSZPFJ-UHFFFAOYSA-N	284.306	1.819	10	20	CDCD	
CO[C@@H]1CCC[C@H]1C(=O)NCCc1ccc(O)c(O)c1	1335854023	CQBMQQAZWILPOG-BXUZGUMPSA-N	279.336	1.572	10	20	CDCD	
CCO[C@@H]1C[C@](N)(C(=O)NCc2ccc(N)cc2)C1(C)C	1263303544	ACMXVNCVGDJXQZ-CJNGLKHVSA-N	291.395	1.418	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)CNCC(C)C)c1	1349420284	IEIWVLSKNXATEO-LLVKDONJSA-N	280.368	1.824	10	20	CDCD	
CC(C)c1nc(NC(=O)c2c(F)ccc(O)c2O)n[nH]1	1261258901	QFIWDWDUUMSCPW-UHFFFAOYSA-N	280.259	1.731	10	20	CDCD	
COc1ccc(N2CC[C@H](CNC(=O)[C@@H]3C[C@@H]3F)C2)cc1	1518262818	MXCDHMVYWPVUTR-DFBGVHRSSA-N	292.354	1.996	10	20	CDCD	
O=C(NCc1ccccc1O)N[C@@H]1CC=C(C(=O)O)C1	1608473133	RMUUTPVKFMJCJQ-LLVKDONJSA-N	276.292	1.365	10	20	CDCD	
Cc1cc(O)c(CN2CCOC[C@@H]2C(=O)O)c(Cl)c1	1610475686	JEOGIKVIUYRNLX-LLVKDONJSA-N	285.727	1.639	10	20	CDCD	
NC(=O)N=Nc1ccc(C(=O)N2CCC[C@@H]2C(=O)O)cc1	1594644274	BSGUSFGRETUVTL-SNVBAGLBSA-N	290.279	1.538	10	20	CDCD	
CCC(CC)(CC(=O)O)NC(=O)c1cccc(O)c1O	1595053126	AVGIBHRQJVKLCQ-UHFFFAOYSA-N	281.308	1.861	10	20	CDCD	
COC1CC(NCc2cc([N+](=O)[O-])ccc2O)(C(=O)O)C1	1777164327	TXFNELYRCAJXRG-UHFFFAOYSA-N	296.279	1.022	10	20	CDCD	
CCC[C@](C)(CO)NC(=O)Nc1ccc(N)cc1	841300905	WISONXQVDUYSSL-CYBMUJFWSA-N	251.330	1.941	10	20	CDCD	
C[C@H](Cn1cccn1)NCc1cc2c(cc1O)OCO2	42880082	DXPYSSNJECRAGV-SNVBAGLBSA-N	275.308	1.496	10	20	CDCD	
Nc1ccc(CC(=O)N2CCN(C3CCC3)CC2)cc1	262228559	NOYGVBAYNNSFSB-UHFFFAOYSA-N	273.380	1.508	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CNCC1CC1	37801184	NDEJEQWBHYEBMG-UHFFFAOYSA-N	275.396	1.711	10	20	CDCD	
CCc1cccc(CNC[C@@](C)(O)COC)c1O	691522473	LRNDCCGJGWJFMI-CQSZACIVSA-N	253.342	1.442	10	20	CDCD	
CCN1CCCC[C@@H]1C(=O)NCc1cc(OC)ccc1O	114542933	UEVUOMBSQDJCJD-CQSZACIVSA-N	292.379	1.891	10	20	CDCD	
COC(=O)[C@H](C)CN(C)Cc1cc(F)ccc1O	179943500	FFEBPZPATSZNJX-SECBINFHSA-N	255.289	1.772	10	20	CDCD	
O=C(N[C@@H]1CCCSC1)c1cccc(O)c1O	126558117	OGDOKZNFAWUUJJ-MRVPVSSYSA-N	253.323	1.723	10	20	CDCD	
CCN(C)S(=O)(=O)NCc1ccc2c(c1)CCCN2C	72709003	IGLBBSDBYBKSIK-UHFFFAOYSA-N	297.424	1.355	10	20	CDCD	
N#Cc1ccc(C(=O)NCCc2ccc(O)c(O)c2)cc1O	188694235	ZHKTUMYCHSHROD-UHFFFAOYSA-N	298.298	1.648	10	20	CDCD	
CN1CCCc2cc(CNC(=O)Cc3ccn(C)n3)ccc21	181258877	XCBHGJLEYUUWKR-UHFFFAOYSA-N	298.390	1.661	10	20	CDCD	
CC(C)NS(=O)(=O)CCN[C@H](C)c1ccccc1O	183595398	URPCCFWADDRYIY-LLVKDONJSA-N	286.397	1.371	10	20	CDCD	
C[C@H](NC[C@@H](C)N1CCN(C)CC1)c1cc(F)ccc1O	185366024	KUXINOKQIUPLFS-OLZOCXBDSA-N	295.402	1.818	10	20	CDCD	
CNCCCC(=O)NCCCSc1nccs1	237162696	RQXGXGBAAKWURQ-UHFFFAOYSA-N	273.427	1.741	10	20	CDCD	
CC(C)OCCS(=O)(=O)Nc1ccc(O)cc1F	93666483	UMCZSBSJPVXILM-UHFFFAOYSA-N	277.317	1.698	10	20	CDCD	
C[C@@H]1O[C@H](C)[C@H](C(=O)NCCc2ccc(O)c(O)c2)[C@@H]1C	528858287	STFSIEUYAVXUFL-JNIYBQFBSA-N	293.363	1.816	10	20	CDCD	
Cc1cc(O)c(CNC[C@@H]2COCCN2)cc1C	530182648	XOVNHOHRDQOPCW-CYBMUJFWSA-N	250.342	1.087	10	20	CDCD	
COc1cccc(CNC(=O)Cc2cc(C)[nH]n2)c1O	267995353	MBBCOHACMDTFQM-UHFFFAOYSA-N	275.308	1.291	10	20	CDCD	
COc1cccc(CNC(=O)[C@@]2(C)CCCOC2)c1O	272615039	AOTKNZXIZQHOFW-HNNXBMFYSA-N	279.336	1.834	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)N[C@@H](C)CCCO)c1	273611081	VWVBSVRHXDHXHO-WDEREUQCSA-N	281.352	1.990	10	20	CDCD	
CC[C@H](CCO)CNCc1ccc([N+](=O)[O-])c(OC)c1O	278538353	WVKCBZJPGMSEFV-SNVBAGLBSA-N	298.339	1.807	10	20	CDCD	
COc1cccc(CNC(=O)NCCC(C)(C)O)c1O	275065353	XVHCRQPDODEUBZ-UHFFFAOYSA-N	282.340	1.361	10	20	CDCD	
CN(C)c1ccc(CNCC(=O)NCC(F)F)cc1F	280280379	LPWOBDYGJONZAW-UHFFFAOYSA-N	289.301	1.363	10	20	CDCD	
CC[C@H](O)CN[C@@H](C)c1cc([N+](=O)[O-])ccc1O	293901692	ZQXHCTLUGFZVCG-WPRPVWTQSA-N	254.286	1.722	10	20	CDCD	
CN(C)c1ccc(CNC[C@H]2CC[C@@H](CO)O2)cc1	292650254	KZOCBSCUYMCYOX-CABCVRRESA-N	264.369	1.382	10	20	CDCD	
Cc1nccnc1CCNC(=O)NCc1ccccc1O	296849863	JVWZGLHMMNETQS-UHFFFAOYSA-N	286.335	1.533	10	20	CDCD	
COCCCCN1C(=O)CN(Cc2ccccc2O)C1=O	819163893	BSAHQXRNZOLVBH-UHFFFAOYSA-N	292.335	1.583	10	20	CDCD	
COCC(C)(C)CNC(=O)NCc1ccc(OC)cc1O	813839756	JLFWFJROCQQBPS-UHFFFAOYSA-N	296.367	1.873	10	20	CDCD	
Cc1cc(CN[C@H](CO)C2CCOCC2)ccc1N(C)C	815092098	WWBCKGOXLCCEEC-MRXNPFEDSA-N	292.423	1.938	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)C2(C)CNC2)c1	817997345	ZUFBTGYMNYPUNS-SECBINFHSA-N	264.325	1.188	10	20	CDCD	
Cc1cc(CN2CCN(C)C(=O)[C@@H]2C)ccc1N(C)C	815095581	DRXDIOJQIXDDPD-ZDUSSCGKSA-N	275.396	1.724	10	20	CDCD	
C[C@@H](NCCN)c1cc(Br)cc(F)c1O	817934622	LHQGEUVFOMKNEK-ZCFIWIBFSA-N	277.137	1.903	10	20	CDCD	
CCN1C[C@@H](NCc2cc(Cl)c(F)cc2O)CC1=O	824893524	ULDPZDIOLNCBQA-VIFPVBQESA-N	286.734	1.895	10	20	CDCD	
O=C(O)c1cc(CNCc2ccc3c(c2)CCCO3)on1	900047696	RRWXTVZEQYEGPT-UHFFFAOYSA-N	288.303	1.988	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2cc(C(=O)O)no2)c1	833733709	MXGJQMRHUAIYOB-UHFFFAOYSA-N	292.247	1.017	10	20	CDCD	
CCc1noc(C(=O)NCc2cc(Cl)ccc2O)n1	902696665	NPQJMLHVXTZZKU-UHFFFAOYSA-N	281.699	1.921	10	20	CDCD	
c1cc2c(cc1CNCCN1C[C@@H]3CC[C@H](C1)O3)CCO2	830610041	UCGXOUMARBNUEB-IYBDPMFKSA-N	288.391	1.574	10	20	CDCD	
COc1ccc(CNC(=O)[C@]2(C)CCNC2)c(O)c1	832177792	GQDUXXQWSRGZNU-CQSZACIVSA-N	264.325	1.017	10	20	CDCD	
O=C1CC[C@@H](COC(=O)c2cccc(O)c2O)CCN1	837648556	SZMGIEFKIGQEAS-SECBINFHSA-N	279.292	1.171	10	20	CDCD	
OC[C@H](NCc1cccc(Cl)c1O)[C@H]1CCCOC1	840964633	ZLOMOSVIHLIYSI-AAEUAGOBSA-N	285.771	1.923	10	20	CDCD	
COC(=O)[C@@H]1CNCCCN1Cc1cc(C)c(C)cc1O	843122616	DCFXCXYIUCESAE-AWEZNQCLSA-N	292.379	1.346	10	20	CDCD	
CCN[C@H](C)CNC(=O)N[C@H](C)c1cc(OC)ccc1O	841988175	ZHSQCQPIGHCEIC-GHMZBOCLSA-N	295.383	1.759	10	20	CDCD	
CC(C)OCCCNC(=O)NCCc1ccc(N)cc1	841619080	JNAACBGSRZZXHE-UHFFFAOYSA-N	279.384	1.926	10	20	CDCD	
CCOc1ccc(O)c(CN2C[C@H](C)N[C@@H](C)C2)c1	843049542	PITRSTUAFJCBKV-RYUDHWBXSA-N	264.369	1.973	10	20	CDCD	
CCC[C@H]1CNCCN1Cc1cc(OC)c(OC)cc1O	843057756	HXQFXDDUYNTQJR-ZDUSSCGKSA-N	294.395	1.983	10	20	CDCD	
CCNC(=O)N1CC[C@@H](NCc2cccc(CC)c2O)C1	848898277	SHLXMYJXQSIEDJ-CQSZACIVSA-N	291.395	1.848	10	20	CDCD	
C[C@H]1C[C@@H](CN)CN1Cc1cc2c(cc1O)OCO2	843058249	QJKKQLMXPUFACJ-UWVGGRQHSA-N	264.325	1.290	10	20	CDCD	
CCc1cc(NC(=O)Cc2ccc(N)cc2)nn1C	843502346	ZLPHBMKRHGVCHX-UHFFFAOYSA-N	258.325	1.746	10	20	CDCD	
Cc1n[nH]cc1CNC[C@@H](N)c1ccc(N(C)C)cc1	841041572	DSSGCSGQTWYXDK-OAHLLOKOSA-N	273.384	1.574	10	20	CDCD	
CN(C)c1ccc(CNc2cc(=O)n(C)cn2)cc1	848643036	GGYLMYPPCDWTKU-UHFFFAOYSA-N	258.325	1.458	10	20	CDCD	
CCn1nnc(C)c1CNCc1cc(C)ccc1O	858239998	YNQDEKKQMGLVGO-UHFFFAOYSA-N	260.341	1.910	10	20	CDCD	
CON(C)C(=O)[C@H](C)N[C@H](C)c1ccc(C)cc1O	858580642	SOZXKBWPIJJNEE-MNOVXSKESA-N	266.341	1.760	10	20	CDCD	
COc1ccc(O)c([C@H](C)Nc2cnn(CCO)c2)c1	756855037	KLARCEJGHRGJCL-JTQLQIEISA-N	277.324	1.763	10	20	CDCD	
C[C@H](NCCN1CC[C@@H](O)C1)c1ccc(N(C)C)cc1	858547199	FKGJRQVNBYRSLM-XJKSGUPXSA-N	277.412	1.470	10	20	CDCD	
CN[C@H]1CCCN(Cc2cccc(OC)c2O)C1	53201225	MRUVUIZTYQYCSU-LBPRGKRZSA-N	250.342	1.585	10	20	CDCD	
CCN(C)c1ccc(CN2CC[C@@](OC)(C(=O)O)C2)cc1	863474759	KVZONMJZXFVLTI-INIZCTEOSA-N	292.379	1.818	10	20	CDCD	
Cc1cccc(O)c1CN1CC(=O)N(CC2CC2)C1	877489367	NSAKLWWDEPQGAV-UHFFFAOYSA-N	260.337	1.712	10	20	CDCD	
O=C1CC[C@H](NCCCSc2nccs2)CCN1	873054696	TXWRECKCGGJJEC-JTQLQIEISA-N	285.438	1.884	10	20	CDCD	
O=C(N[C@@H](CO)Cc1ccccc1)c1cc(O)cs1	778518672	XQBMFLXCFMZGTE-LLVKDONJSA-N	277.345	1.787	10	20	CDCD	
COCC1(S(=O)(=O)Nc2ccc(O)c(F)c2F)CC1	882737285	GPCUFOYPSNLIFQ-UHFFFAOYSA-N	293.291	1.591	10	20	CDCD	
O=C(c1c(F)ccc(O)c1O)N1CC[C@@H](CF)C1	881675219	VVFSSPQWSYQILO-ZETCQYMHSA-N	257.236	1.669	10	20	CDCD	
CN(C)c1ccc(CNC(=O)C(=O)NC2CCC2)cc1F	788464214	WKZLDKSLXVLIIC-UHFFFAOYSA-N	293.342	1.177	10	20	CDCD	
C[C@@H](N[C@H](CO)C1CCOCC1)c1c(O)cccc1F	886588437	RGVIDFMYDKJHEQ-ZWNOBZJWSA-N	283.343	1.969	10	20	CDCD	
COc1ccc(CN2C[C@@H](C)[C@@](C)(CO)C2)c(O)c1OC	895458325	XRBZUQSHFAUOLP-BDJLRTHQSA-N	295.379	1.860	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@H](O)C[C@H]1C	788324545	XJHOYRLXKYMSFV-IUODEOHRSA-N	291.395	1.726	10	20	CDCD	
C[C@H](NC(=O)c1cc(O)cs1)c1ncn(C)n1	782037870	VQWXNXUMXCOJTL-LURJTMIESA-N	252.299	1.073	10	20	CDCD	
CN(C)c1ccc(CNC(=O)COC(F)F)cc1F	795828214	BSRPZQBPMBJRIK-UHFFFAOYSA-N	276.258	1.747	10	20	CDCD	
COCCN(C)CCNCc1cc(C)cc(OC)c1O	894213394	BLEOGGKBNFYAPZ-UHFFFAOYSA-N	282.384	1.377	10	20	CDCD	
O=C(O)C[C@H](CNC(=O)c1cccc(O)c1O)C1CC1	690508982	ARQYWHGNAGZZDP-SECBINFHSA-N	279.292	1.329	10	20	CDCD	
Cn1ccc(CC(=O)Nc2c(Cl)ccc3nonc23)n1	1329522240	UASSACYVJXGYDO-UHFFFAOYSA-N	291.698	1.791	10	20	CDCD	
COc1cc(C)cc(CN[C@@H](CO)CCF)c1O	1332718799	UXYUWXUWHMZXNP-LLVKDONJSA-N	257.305	1.519	10	20	CDCD	
NCCCCCCNC(=O)NCc1ccc(N)cc1	1336934189	RFXFSSWLXFQLBX-UHFFFAOYSA-N	264.373	1.587	10	20	CDCD	
CC(=O)OC(C)(C)C(=O)NCc1cccc(O)c1O	1352657279	BSGHBVGZLGJZJY-UHFFFAOYSA-N	267.281	1.056	10	20	CDCD	
CN(C)c1ccc([C@H](N)CNC(=O)[C@H]2C[C@H]2F)cc1	1521145495	VZGIOQITWUPVAG-YNEHKIRRSA-N	265.332	1.227	10	20	CDCD	
CCN(CC)c1ccc(CN[C@@](C)(CO)C(=O)O)cc1	1596288586	QRBAYKPXZPHGOJ-HNNXBMFYSA-N	280.368	1.458	10	20	CDCD	
CO[C@@H](CNCc1ccc2c(c1)CCO2)CC(=O)O	1777149071	WFPHDPKWCYXENR-GFCCVEGCSA-N	265.309	1.201	10	20	CDCD	
Cc1ccc([C@H](C)NC[C@@H]2COCCO2)c(O)c1	38060607	RLFHSVPDHPZQPY-NWDGAFQWSA-N	251.326	1.767	10	20	CDCD	
CC[C@@H](CNCc1cc2c(cc1O)OCO2)OC	310862615	RVZCHUAAJYFUFS-JTQLQIEISA-N	253.298	1.636	10	20	CDCD	
CCN(C)C(=O)CNCc1cc(F)cc(F)c1O	708445588	VDOBDMSOBVWZTB-UHFFFAOYSA-N	258.268	1.238	10	20	CDCD	
COc1ccc(O)c(CNC(=O)NC[C@H]2CCCO2)c1	114581198	IMSSJAPYNGNXSV-GFCCVEGCSA-N	280.324	1.379	10	20	CDCD	
CCOCCCNC(=O)c1ccc(C)c(O)c1O	177664222	BKSQXWFUCSINHC-UHFFFAOYSA-N	253.298	1.563	10	20	CDCD	
CCO[C@@H](C)C(=O)N1CCOc2cc(N(C)C)ccc21	173193025	NUJLHDMESPZROT-NSHDSACASA-N	278.352	1.903	10	20	CDCD	
O=C(O)C[C@@H]1COCCN1Cc1c(O)cccc1Cl	128842202	DYMJCVMGHWWDBF-SECBINFHSA-N	285.727	1.721	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)Nc1nncs1	180946585	IFPSEAIZFSGXIK-DUXPYHPUSA-N	263.278	1.601	10	20	CDCD	
CC(C)CN(CC(N)=O)Cc1cccc(Cl)c1O	124539861	JTBZPVASGDSNLM-UHFFFAOYSA-N	270.760	1.989	10	20	CDCD	
CC[C@@H](C)NC(=O)CN[C@H](C)c1cc(OC)ccc1O	182406439	GHZVKKBBGKSHFN-GHMZBOCLSA-N	280.368	1.966	10	20	CDCD	
CN(CC(=O)N(C)C1CC1)c1ccc2c(c1)OCO2	121340280	XCBLGPVYPLNFTD-UHFFFAOYSA-N	262.309	1.472	10	20	CDCD	
CC(C)CNC(=O)CN(C)c1ccc2c(c1)OCO2	121389044	JMSWVHDIQIKABY-UHFFFAOYSA-N	264.325	1.624	10	20	CDCD	
CCOCCCCNC(=O)c1ccc(C)c(O)c1O	182132507	WMRVCXLAAICTIC-UHFFFAOYSA-N	267.325	1.953	10	20	CDCD	
COc1ccc(O)c(CNC(=O)C2(O)CCCCC2)c1	129946479	WYVCEFPSSQPURG-UHFFFAOYSA-N	279.336	1.712	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)Nc1ccncc1F	184127925	QQQCKGJXEPLRGT-UHFFFAOYSA-N	291.282	1.996	10	20	CDCD	
CC(C)(C)C[C@@H](O)CNC(=O)Cc1ccc(N)cc1	178578857	MEEVOLXKANCWCB-CYBMUJFWSA-N	264.369	1.725	10	20	CDCD	
[N-]=[N+]=NCc1ccc(C(=O)N2CC[C@@H](O)C2)s1	1537962991	NGAMDMMODVJQDY-SSDOTTSWSA-N	252.299	1.765	10	20	CDCD	
Cc1cc(C(=O)NCCCCO)c(C)n1-c1ccccn1	194980195	PTFJTUXAKJHDLQ-UHFFFAOYSA-N	287.363	1.991	10	20	CDCD	
NCCCC(=O)NCCCSc1nccs1	237915559	SPPIJELBASYYRQ-UHFFFAOYSA-N	259.400	1.480	10	20	CDCD	
O=C(O)C[C@@H]1COCCN1Cc1cc(F)ccc1O	236433372	BNYNWFWCRMASAZ-LLVKDONJSA-N	269.272	1.207	10	20	CDCD	
CCC(=O)N1CC[C@@H](NC(=O)NCc2ccccc2O)C1	268518458	FCJNBXSSRVNYGS-GFCCVEGCSA-N	291.351	1.202	10	20	CDCD	
COC(=O)[C@@]1(F)CCN(Cc2cc3c(cc2O)OCO3)C1	267693778	QVMPWJRMGDPTPN-CQSZACIVSA-N	297.282	1.208	10	20	CDCD	
COc1ccc(O)c(CN2CC[S@](=O)[C@@H](C)[C@H]2C)c1	271832604	PEACBPYFQVZLNT-FDMGOTLNSA-N	283.393	1.742	10	20	CDCD	
O=C(CC1OCCCO1)NCc1ccccc1O	279794801	GKOKSCQDRBNBKH-UHFFFAOYSA-N	251.282	1.162	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)NCC[C@H](C)O)c1	273556434	HBNOAYJQEWGVSI-UWVGGRQHSA-N	267.325	1.600	10	20	CDCD	
CC(C)(O)C1CN(C(=O)/C=C/c2ccc(O)c(O)c2)C1	275521623	DPJSFANUMSGBAW-GQCTYLIASA-N	277.320	1.340	10	20	CDCD	
CN(CCN1CCOCC1)c1ccc2c(c1)OCO2	270117899	FEPSZMNOIBCJIP-UHFFFAOYSA-N	264.325	1.184	10	20	CDCD	
CN(C)c1ccc(CNCCO)c(C(F)(F)F)c1	280435999	XUEONXZMFKINHF-UHFFFAOYSA-N	262.275	1.853	10	20	CDCD	
CC[C@H](Sc1ncc(C(=O)OC)s1)C(N)=O	295438486	ZUHNWFCACRLSSJ-YFKPBYRVSA-N	260.340	1.286	10	20	CDCD	
Cc1ccc([C@H](C)NC[C@H]2CC[C@@H](CO)O2)c(O)c1	294459234	WCSALJUXPZPOMH-XQQFMLRXSA-N	265.353	1.891	10	20	CDCD	
NC1(C(=O)NCc2ccc(N3CCOCC3)cc2)CCC1	296000966	KWJCZCHSXOMZFW-UHFFFAOYSA-N	289.379	1.021	10	20	CDCD	
COCC1(NC(=O)c2ccc(C)c(O)c2O)CCC1	803741912	XKTXCIIHUPBOSP-UHFFFAOYSA-N	265.309	1.705	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)c1cc(C=O)c[nH]1	815796762	KQFGICWQQXIFIH-UHFFFAOYSA-N	258.277	1.805	10	20	CDCD	
COC[C@]1(CN[C@@H](C)c2cc(F)ccc2O)CCCN1	817974930	OKKPUWCRXDYFPX-XHDPSFHLSA-N	282.359	1.951	10	20	CDCD	
COc1ncc(/C=C/C(=O)N(C)c2cnccc2C)cn1	492742895	VDYCNKJBUWTOIZ-SNAWJCMRSA-N	284.319	1.865	10	20	CDCD	
COc1ccc(O)c(CNC(=O)CN2CCCC2)c1	821065436	ODMGCUBIIHMVDJ-UHFFFAOYSA-N	264.325	1.113	10	20	CDCD	
C[C@H](O)C[C@H]1CCCN1C(=O)/C=C\c1ccc(O)c(O)c1	588408565	DHQXSALNOYXBQU-PDCNKGEESA-N	291.347	1.873	10	20	CDCD	
COC(=O)NC1CCN(Cc2cc(OC)ccc2O)CC1	827928966	DMZZXXAFBOJJJF-UHFFFAOYSA-N	294.351	1.721	10	20	CDCD	
COc1ccc(N(CCN2CCNC2=O)CC2CC2)cc1	831587895	OITUGENTVZNXFX-UHFFFAOYSA-N	289.379	1.937	10	20	CDCD	
C[C@@]1(C(=O)O)CCN(C(=O)/C=C\c2ccc(O)c(O)c2)C1	833554219	SNADXVJEENDFLP-UYWPIULCSA-N	291.303	1.434	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2cc(C)n(C)n2)c1	734016787	GIFOJWITJOFMND-UHFFFAOYSA-N	275.308	1.373	10	20	CDCD	
CCO[C@@H]1COC[C@H]1N[C@@H]1CCc2cccc(O)c21	834903914	LJBSXDOYOOYIIW-YRGRVCCFSA-N	263.337	1.773	10	20	CDCD	
CCn1ncc(CNCc2ccc(N(C)C)c(F)c2)n1	838916790	AODQUTPICNXKKX-UHFFFAOYSA-N	277.347	1.793	10	20	CDCD	
CCOCCN(C)c1ccc(OCC(=O)O)cc1	833661502	CPDHIBIGUAPSTN-UHFFFAOYSA-N	253.298	1.623	10	20	CDCD	
CC[C@@H](C)[C@H](OC)C(=O)NCc1ccc(O)cc1O	910945475	AMPXBALUFKUCNW-RNCFNFMXSA-N	267.325	1.775	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)N[C@H](C)CCN)c1	841968086	TWGWOCFIOXDXRR-NXEZZACHSA-N	281.356	1.498	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H](N)C1CC1	841965944	MBPSOFUHVJBYQR-HNNXBMFYSA-N	290.411	1.631	10	20	CDCD	
CN(CCCN)C(=O)NCc1ccc(N(C)C)c(F)c1	841761661	RBBZTUPIUXIEOY-UHFFFAOYSA-N	282.363	1.382	10	20	CDCD	
COC[C@]1(CNCc2cc(F)ccc2O)CCCN1	841067290	MWCSPUYLGFHQAX-CQSZACIVSA-N	268.332	1.390	10	20	CDCD	
Oc1cc2c(cc1CN1CC[C@H](F)C1)[C@H](O)CO2	840103648	NIUJHEVWXKTPTL-JOYOIKCWSA-N	253.273	1.362	10	20	CDCD	
O=C(NCc1cccc(F)n1)c1cc(O)cs1	749298618	PYQARVSQLNXSMZ-UHFFFAOYSA-N	252.270	1.918	10	20	CDCD	
COc1cccc(O)c1CN[C@@H]1CC[C@H](C(N)=O)C1	825278779	IVRQUHLDBJRXDW-VHSXEESVSA-N	264.325	1.144	10	20	CDCD	
C[C@@H](COCC1CC1)NC(=O)c1c(F)ccc(O)c1O	846662139	UEGDBZKAHZCJNW-QMMMGPOBSA-N	283.299	1.782	10	20	CDCD	
C[C@](O)(C(=O)NCc1cc(Cl)ccc1O)C1CC1	846477603	TYPQSBDZFHNBGL-CYBMUJFWSA-N	269.728	1.823	10	20	CDCD	
C[C@@H]1CCN(Cc2cccc(F)c2O)C[C@@H]1CN	841100536	HCLNCBUIHSIMGI-PWSUYJOCSA-N	252.333	1.948	10	20	CDCD	
C[C@@H]1COC[C@H]1NC(=O)N(C)Cc1ccc(N(C)C)cc1	925992502	RPHNUFUZCYSZRV-IUODEOHRSA-N	291.395	1.929	10	20	CDCD	
CC1(C)C[C@@]1(C)NC(=O)C(=O)Nc1ccc(N)cc1	850853274	CKAYGFJHRIOIPM-CQSZACIVSA-N	261.325	1.512	10	20	CDCD	
Cc1cc(CN2CCO[C@H](CN)C2)ccc1N(C)C	923332038	GOCGDHLNRRRNRP-CQSZACIVSA-N	263.385	1.221	10	20	CDCD	
CC(C)(C)N1CC[C@H](CNC(=O)c2cccc(O)c2O)C1	855162046	UFSSTWHZKIDSFU-LLVKDONJSA-N	292.379	1.948	10	20	CDCD	
CC[C@@H](OC(=O)c1cccc(O)c1O)C(=O)OC	758571055	BUYASPHCMGGIQX-SECBINFHSA-N	254.238	1.206	10	20	CDCD	
CCN(C(=O)c1cc(O)cs1)[C@@H]1CCS(=O)(=O)C1	752611002	JHDZJYFGZZJPJF-MRVPVSSYSA-N	289.378	1.103	10	20	CDCD	
CCN(C)c1ccc([C@H](C)N[C@@H]2COCC[C@H]2O)cc1	866498487	XREZSMSEVZNRGC-APHBMKBZSA-N	278.396	1.943	10	20	CDCD	
C[C@H](N[C@@H]1COCC[C@H]1O)c1ccc(Cl)cc1O	866498179	VTOWTSSFNYOVRR-XXILOJSOSA-N	271.744	1.846	10	20	CDCD	
C[C@H](NC(=O)CCc1cnn[nH]1)c1ccc(N(C)C)cc1	867502739	CAQUHJAWMKHCPX-NSHDSACASA-N	287.367	1.681	10	20	CDCD	
COCCn1cc(CNCc2c(C)cccc2O)cn1	877498723	ULTRRXMWUQERHJ-UHFFFAOYSA-N	275.352	1.833	10	20	CDCD	
COCCOC[C@@H](C)NC(=O)/C=C/c1ccc(O)c(O)c1	779523941	HACRQXNTWYGYAL-DUMNWFOQSA-N	295.335	1.279	10	20	CDCD	
COC(=O)NCC(=O)N[C@@H](C)c1ccc(N(C)C)cc1	772993418	GVHCPVQPHZSNOO-JTQLQIEISA-N	279.340	1.286	10	20	CDCD	
CCNS(=O)(=O)[C@H]1CCN(Cc2c(C)cccc2O)C1	877174167	BAUKZUOFTQIULB-LBPRGKRZSA-N	298.408	1.214	10	20	CDCD	
CC(C)CO[C@@H](C)C(=O)NCc1ccc(O)c(O)c1	778925714	PBLFDLHBJXXUFV-JTQLQIEISA-N	267.325	1.775	10	20	CDCD	
C[C@@H](NC(=O)C1(NC(N)=O)CC1)c1ccc(N(C)C)cc1	773990676	WDRFWINPOCGWFS-SNVBAGLBSA-N	290.367	1.131	10	20	CDCD	
C[C@@H]1CO[C@@H](CO)CN1Cc1cc(F)ccc1O	779034164	PLBNUSKYTILRCJ-BXKDBHETSA-N	255.289	1.113	10	20	CDCD	
CC(C)(CN1CCOCC1)C(=O)Nc1ccc(N)cc1	876504667	SNEWQSQMGYIFTE-UHFFFAOYSA-N	277.368	1.566	10	20	CDCD	
COCC[C@]1(NCc2cc(F)ccc2O)CCOC1	775203516	LJNCNVDGAGNLMP-AWEZNQCLSA-N	269.316	1.817	10	20	CDCD	
COc1ccc(CNC(=O)[C@H]2C[C@@H](C(=O)O)C2)c(O)c1	1123284233	FYHGVQYSKHABCR-AOOOYVTPSA-N	279.292	1.128	10	20	CDCD	
Cc1ccc(C(=O)N2CC(=O)CC[C@@H]2C)c(O)c1O	885084405	LLXROMSGORUEGJ-VIFPVBQESA-N	263.293	1.600	10	20	CDCD	
C[C@@H]1C[C@@H]1C(=O)NCc1ccc(N2CCN(C)CC2)cc1	881849729	VEXMUDIWKGQPST-CJNGLKHVSA-N	287.407	1.711	10	20	CDCD	
Cc1ccc(C(=O)NCCC(=O)NC(C)(C)C)c(O)c1O	780929341	XVYWUGMYOOEEEA-UHFFFAOYSA-N	294.351	1.441	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)CCCC(N)=O)cc1	787054042	MVWOXORSYKHSRO-UHFFFAOYSA-N	291.395	1.805	10	20	CDCD	
COc1ccc(CNCc2nonc2C)c(O)c1OC	894465686	ZZTQTMVKVCUDKC-UHFFFAOYSA-N	279.296	1.391	10	20	CDCD	
CN1CCC[C@H](NCc2cc(Cl)ccc2O)C1=O	704316602	RATRWSNNJISSIQ-NSHDSACASA-N	268.744	1.756	10	20	CDCD	
CCCN(C)CC(=O)NCc1ccc(OC)cc1O	794388653	ZANGOEBQSZIRKW-UHFFFAOYSA-N	266.341	1.359	10	20	CDCD	
Cc1ncc(CCNC(=O)c2cccc(O)c2O)s1	790896426	GYMBYADNFTXCTP-UHFFFAOYSA-N	278.333	1.835	10	20	CDCD	
Cc1cc(O)c(CN(C)CCN2CCNCC2)cc1Cl	1236082503	GXEUHHBQJMCHQD-UHFFFAOYSA-N	297.830	1.691	10	20	CDCD	
COc1ccc(CNC[C@@H](CC(=O)O)C(=O)O)cc1C	1334853017	MRNXMNYDTWMEAA-LLVKDONJSA-N	281.308	1.269	10	20	CDCD	
Nc1ccc(CN2CCN(c3nc(N)ns3)CC2)cc1	1336116213	CYJYKJUCTDCTQU-UHFFFAOYSA-N	290.396	1.025	10	20	CDCD	
Nc1ccc(CNC(=O)N[C@H]2CCN3CCC[C@@H]3C2)cc1	1336225980	UWTPEXNLEGZIIE-LSDHHAIUSA-N	288.395	1.695	10	20	CDCD	
CCC[C@](C)(O)CNC(=O)NCc1ccc(N)cc1	1335728720	CKCPMHAHXHXNBE-AWEZNQCLSA-N	265.357	1.619	10	20	CDCD	
CCN(Cc1ccc(OC)c(OC)c1O)[C@H]1CCNC1=O	1334272842	YQFRGSOWHFIYSD-NSHDSACASA-N	294.351	1.120	10	20	CDCD	
CCC[C@@H](CCO)CNC(=O)NCc1ccc(N)cc1	1335737424	PKJJYFMWSQKMSM-LBPRGKRZSA-N	279.384	1.867	10	20	CDCD	
CCCOc1ccc(CNCc2nnn(C)n2)cc1C	1262006680	DCPNBEGNPMPDMM-UHFFFAOYSA-N	275.356	1.597	10	20	CDCD	
CS(=O)(=O)C1(C(=O)NCc2ccc(N)cc2)CCCC1	1346210797	ZFCCJZGRIYHPHE-UHFFFAOYSA-N	296.392	1.242	10	20	CDCD	
COC[C@H](NC(=O)NCc1ccc(N)cc1)C(C)C	1357243360	VFLIOFZCCBMDNW-ZDUSSCGKSA-N	265.357	1.739	10	20	CDCD	
COc1ccc(CNc2cnc(C(=O)O)cn2)c(O)c1	1607260847	QXHCPKBNHVXDFC-UHFFFAOYSA-N	275.264	1.501	10	20	CDCD	
CO[C@@H](C)[C@@H](C)N[C@@H](C)c1cccc(-c2nn[nH]n2)c1O	1605005318	GMKMCCCSFZLUIB-UTLUCORTSA-N	291.355	1.646	10	20	CDCD	
O=C(O)c1cnc(CCNCc2ccccc2O)s1	1602517562	OWWXCLKQASANCN-UHFFFAOYSA-N	278.333	1.879	10	20	CDCD	
Cn1ccc([C@H](NCc2cccc(Cl)c2O)C(=O)O)n1	1600975481	NSEMVWXXINPDME-NSHDSACASA-N	295.726	1.695	10	20	CDCD	
COc1ccc(CN[C@H]2CCO[C@H]2C(=O)O)cc1C	1599573807	LQDMVOJZDXTGBW-WCQYABFASA-N	265.309	1.335	10	20	CDCD	
COc1cc(O)c(CN(C)C[C@@H]2CCOC2)cc1OC	160362815	YCMDDCPVMURFIC-NSHDSACASA-N	281.352	1.878	10	20	CDCD	
COc1ccc(CN[C@@H](C)C[S@](C)=O)cc1C	168210746	QFJPEUAHOYCPTI-APPDUMDISA-N	255.383	1.860	10	20	CDCD	
CC1(C)C[C@@H](NC(=O)c2cccc(O)c2O)CCO1	126516597	IVAJHNXMPLLYNM-VIFPVBQESA-N	265.309	1.785	10	20	CDCD	
COc1ccc(N(C)C[C@H]2CCNC2)cc1OC	258998147	WLOKWTCRMOTZSI-NSHDSACASA-N	250.342	1.750	10	20	CDCD	
C[C@H](NCc1cc(Br)ccc1O)C(=O)O	235520835	KEGXSPNJWVHFRW-LURJTMIESA-N	274.114	1.717	10	20	CDCD	
Cc1cccc(O)c1CN(CC(N)=O)CC(C)C	876598353	NQKDSOUJIUYCCC-UHFFFAOYSA-N	250.342	1.644	10	20	CDCD	
CC[C@H](NC[C@H]1CCS(=O)(=O)C1)c1ccccc1O	38082859	QADMBKSMOCYTPS-YPMHNXCESA-N	283.393	1.868	10	20	CDCD	
COc1ccc(O)c([C@H](C)NCc2cnnn2C)c1	287228757	GLDCGBHUVUDCDB-VIFPVBQESA-N	262.313	1.380	10	20	CDCD	
C[C@H](C[S@](C)=O)N[C@@H]1CCc2cccc(O)c21	296409288	KUESNOZDRRGGON-BHOZQUNFSA-N	253.367	1.736	10	20	CDCD	
COCC[C@](C)(O)CN[C@H]1CCc2cccc(O)c21	297823362	RLNAPYRXOLTZEF-WFASDCNBSA-N	265.353	1.757	10	20	CDCD	
C[C@H](NC[C@@H](O)CN(C)C)c1ccc(N(C)C)cc1	305109982	FKRTVJBWPYNDQB-SWLSCSKDSA-N	265.401	1.326	10	20	CDCD	
CCn1cc(CNCc2cccc(Cl)c2O)nn1	404426226	ZRJMXXIEKOPDNT-UHFFFAOYSA-N	266.732	1.947	10	20	CDCD	
CC[C@@H](N[C@@H](C)CC(=O)NC)c1ccccc1O	323032892	MSXRYVBJQAFVHM-CMPLNLGQSA-N	250.342	1.958	10	20	CDCD	
CCN1C[C@@H](N[C@@H](C)c2cc(C)ccc2O)CC1=O	391497419	TVXQAEDGUVLCLY-RYUDHWBXSA-N	262.353	1.972	10	20	CDCD	
O=C(CN[C@@H]1CCc2cccc(O)c21)NCC1CC1	393048834	DWWDSZMNOALLHV-GFCCVEGCSA-N	260.337	1.495	10	20	CDCD	
COc1ccc(O)c(CNCC2CC3(C2)OCCO3)c1	896911306	AIFAHBNPNHNDBF-UHFFFAOYSA-N	279.336	1.644	10	20	CDCD	
CN1C(=O)C(=CNc2cc(F)ccc2F)C(=O)N(C)C1=O	60861969	IZSWMSULTYFCCD-UHFFFAOYSA-N	295.245	1.311	10	20	CDCD	
NC(=O)c1ccc(NC(=O)/C=C/c2ccc(O)c(O)c2)cc1	180585507	WTQMKQOWCCLGPZ-KRXBUXKQSA-N	298.298	1.849	10	20	CDCD	
CCC[C@@H](CCO)CNC(=O)c1ccc(C)c(O)c1O	182812041	VYUWNDQMPMHARK-NSHDSACASA-N	281.352	1.935	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)c1n[nH]cc1[N+](=O)[O-]	136460563	WYYLPYREKXKIJE-UHFFFAOYSA-N	276.252	1.296	10	20	CDCD	
CNC[C@@H]1CCCN1Cc1cccc(OC)c1O	133012117	RGTFPTKHMCGBDW-LBPRGKRZSA-N	250.342	1.585	10	20	CDCD	
CCN1CCN(Cc2cc3c(cc2O)OCO3)[C@H](C)C1	289938923	YELJUWFWGKFCFN-LLVKDONJSA-N	278.352	1.647	10	20	CDCD	
C[C@@H](NCCCN1CCN(C)CC1)c1cc(F)ccc1O	94616878	ZWXFFHQMMXFQGW-CYBMUJFWSA-N	295.402	1.819	10	20	CDCD	
CCCN1CCC[C@@H]1C(=O)NCCc1ccc(N)cc1	236764411	DVLVAIFMQGHLPS-OAHLLOKOSA-N	275.396	1.802	10	20	CDCD	
CC(=O)N[C@@H](C(=O)Nc1ccc(N)cc1)C1CCCC1	236715163	BIMHVCSISFGEFJ-CQSZACIVSA-N	275.352	1.902	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)c2noc3c2COCC3)c1	527612349	FGSVJEVDEKBICI-UHFFFAOYSA-N	288.303	1.691	10	20	CDCD	
CCCCN1CC(=O)N[C@H]1c1ccc2c(c1)CCN2C	269674245	CGUVHCPJGWUCGV-MRXNPFEDSA-N	273.380	1.909	10	20	CDCD	
C[C@@H]1CCN(C(=O)c2cccc(O)c2O)CC[S@]1=O	277671921	WDYIYCFCLHMFTQ-AYLIAGHASA-N	283.349	1.081	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1ccn[nH]1	274927908	MUFFKHIACJMXCF-SECBINFHSA-N	275.308	1.111	10	20	CDCD	
COC[C@H](O)CN[C@H](C)c1cc(Cl)ccc1O	273585225	NRPXBRLNWNMIOJ-PSASIEDQSA-N	259.733	1.704	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)C1COC1	276342609	QHWDVSCTKPANMM-UHFFFAOYSA-N	298.408	1.303	10	20	CDCD	
CC(=O)NC[C@H]1CN(Cc2c(O)cccc2Cl)CCO1	271173748	ISBHTJFARAKVAR-NSHDSACASA-N	298.770	1.383	10	20	CDCD	
COC(=O)[C@@H]1COCCN1Cc1cccc(C)c1O	271707951	GEEDCNHPHSWBGV-LBPRGKRZSA-N	265.309	1.074	10	20	CDCD	
COC[C@H](O)CN[C@@H](C)c1ccc(F)c(F)c1O	276854548	BLWBSIYFKSKLJA-JGVFFNPUSA-N	261.268	1.328	10	20	CDCD	
CN1CCCN(C(=O)C2=CC[C@H](N)C2)c2ccccc21	638117846	PEDMLDUXBNXXIR-ZDUSSCGKSA-N	271.364	1.907	10	20	CDCD	
COC(=O)c1nn(C)c(C)c1/C=C1\SC(=S)NC1=O	292796808	ULQSETDHMCEKFB-DAXSKMNVSA-N	297.361	1.004	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@H]2C[C@@H](O)C2)c1	296088708	XXWWHHCYQDGODP-INTQDDNPSA-N	265.309	1.353	10	20	CDCD	
Nc1ccc(CNC(=O)CN2CCCCCCC2=O)cc1	297166646	KEQNKFGVSRZFBS-UHFFFAOYSA-N	289.379	1.678	10	20	CDCD	
CCn1nc(C)c(CNC(=O)Nc2ccc(N)cc2)n1	818634510	CAJGEOGHYOPRNT-UHFFFAOYSA-N	274.328	1.510	10	20	CDCD	
COc1ccc(O)c(CN2CCC[C@H](n3ccnn3)C2)c1	822503044	DBFVSGFRZRGVOB-ZDUSSCGKSA-N	288.351	1.829	10	20	CDCD	
CC[C@@H](NCc1cc([N+](=O)[O-])ccc1O)[C@H](C)O	824920908	BXZFSHTWZJMKAH-GZMMTYOYSA-N	254.286	1.549	10	20	CDCD	
CNCCC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	829002532	BOHNQSMJLQPLJL-AWEZNQCLSA-N	292.379	1.509	10	20	CDCD	
CC(=O)NCC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C	839915927	MZWMVAZEUFQUBZ-LBPRGKRZSA-N	291.395	1.244	10	20	CDCD	
COc1cccc(CNC(=O)[C@H]2CC(C)=NO2)c1O	830541473	YNQVFZBNJMDZHC-LLVKDONJSA-N	264.281	1.182	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N1[C@H]2CC[C@H]1COC2	838100753	XDFIWMJQPNFCPL-TXHOQGCJSA-N	275.304	1.501	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@H]2COC[C@@H]2C)c1	903395004	JAFBHBAVIGJGIK-KWBADKCTSA-N	279.336	1.864	10	20	CDCD	
CCc1nnc(C(=O)NCc2ccc(OC)cc2O)s1	907925283	FOFVCONUGRMIAZ-UHFFFAOYSA-N	293.348	1.745	10	20	CDCD	
CC[C@H](C(=O)NCc1ccc(O)cc1O)N1CCCC1=O	910951861	WQEMGBZFNREIBD-GFCCVEGCSA-N	292.335	1.115	10	20	CDCD	
CN(C)c1ccc([C@H](N)CNC(=O)c2cnns2)cc1	832272005	BRYPZCXMXIHCJC-LLVKDONJSA-N	291.380	1.034	10	20	CDCD	
COc1ccc(CNC(=O)N[C@H](CN)CC(C)C)c(O)c1	841955171	ZXTBXHBGHXJDQA-LBPRGKRZSA-N	295.383	1.573	10	20	CDCD	
Cc1nn(C)cc1CNC[C@@H](N)c1ccc(N(C)C)cc1	841046285	ZBUBQYOKDZFULP-MRXNPFEDSA-N	287.411	1.584	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)c1cnc(C2CC2)o1	910942504	DCZCMQJWEBTJHG-UHFFFAOYSA-N	274.276	1.893	10	20	CDCD	
COc1ccc(N(C)Cc2cn(CC(=O)O)nn2)cc1F	846252589	ANOPALNKWCLGSW-UHFFFAOYSA-N	294.286	1.147	10	20	CDCD	
COC[C@@H](CO)N[C@H](C)c1ccc(Cl)cc1O	841752590	PWJPYOGIUQTNLB-PSASIEDQSA-N	259.733	1.704	10	20	CDCD	
CCCCCN(CCO)C(=O)C(=O)Nc1ccc(N)cc1	841036692	VUDCKYRHFPFJBO-UHFFFAOYSA-N	293.367	1.218	10	20	CDCD	
CCOc1ccc(O)c(CN2CCC[C@H]2CNC)c1	843055705	OGMLEMSCLXAHBX-ZDUSSCGKSA-N	264.369	1.975	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N2CCCOCC2)cc1	746509555	LFTDZJGZNKSKBX-UHFFFAOYSA-N	277.368	1.685	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)C[C@H](N)C1CC1	844191448	WBLBQDMIUXIOAY-ZDUSSCGKSA-N	289.379	1.605	10	20	CDCD	
Nc1ccc(NC(=O)C(=O)N2CCCc3occc3C2)cc1	841131452	GKTSAASCFGKBHP-UHFFFAOYSA-N	299.330	1.775	10	20	CDCD	
CNCCCN(C)CCN(C)c1ccc(OC)cc1	846225124	JIYMVJGXXWXBGF-UHFFFAOYSA-N	265.401	1.673	10	20	CDCD	
COCC1(CC(=O)NCc2ccc(OC)cc2O)CC1	843874500	NACCAZQFCZRWIC-UHFFFAOYSA-N	279.336	1.834	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N1C[C@H]2CC[C@H]1[C@@H](O)C2	925056920	KYRYYHJFPCEARB-UXGDLUAZSA-N	289.331	1.483	10	20	CDCD	
C[C@H](N[C@@H]1CCCCNC1=O)c1cc(F)cc(F)c1O	756395912	KWWJOJRLCXIEJF-QPUJVOFHSA-N	284.306	1.990	10	20	CDCD	
Cc1ccc(O)c([C@@H](C)NCCN2CC[C@@H](O)C2)c1	858549657	YGOPQKISAWKLLZ-CHWSQXEVSA-N	264.369	1.418	10	20	CDCD	
CC[C@H]1C(=O)N(CC)CCN1C(=O)Cc1ccc(N)cc1	852907693	OQXFRXXRCNFOPF-AWEZNQCLSA-N	289.379	1.281	10	20	CDCD	
CC[C@@]1(C(=O)NCc2cc(C)ccc2O)CCNC1=O	869410293	JWDLUJLAZCVRSM-OAHLLOKOSA-N	276.336	1.233	10	20	CDCD	
CCO[C@@H]1C[C@@H](NC(=O)c2cc(O)cs2)[C@]12CCCO2	760455164	RUVTUZKDTGQRFM-YRGRVCCFSA-N	297.376	1.910	10	20	CDCD	
COCCN(CCC(=O)OC)Cc1c(O)cccc1OC	769424985	JTZIHRXHSVLQNV-UHFFFAOYSA-N	297.351	1.412	10	20	CDCD	
Cc1cc(CN2CCN(C)C[C@@H]2CO)ccc1N(C)C	879000713	IAORAIUDFJZDIY-OAHLLOKOSA-N	277.412	1.169	10	20	CDCD	
COCCN1CCN(Cc2ccc(C)cc2O)CC1	876556498	NBPAPWWMDGHUCI-UHFFFAOYSA-N	264.369	1.465	10	20	CDCD	
COC(=O)[C@]1(F)CCN(Cc2ccc(C)cc2O)C1	876794770	DWNBMIQQYOZCSZ-AWEZNQCLSA-N	267.300	1.788	10	20	CDCD	
COC(=O)c1cc(N2N=C(C(C)=O)CC2=O)ccc1C	871961886	VGWLXAMSZWCLRX-UHFFFAOYSA-N	274.276	1.463	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)NCCc1ccncc1	779502125	ZBUWGBWWSNKVGC-RQOWECAXSA-N	284.315	1.865	10	20	CDCD	
Cc1ccc(C(=O)OCCc2ccnn2C)c(O)c1O	873356042	OWUBXIBMGGRXHL-UHFFFAOYSA-N	276.292	1.539	10	20	CDCD	
COc1ccc(O)c(CN2CCC(CO)(OC)CC2)c1	775203453	KWQFXQHQAPRTNT-UHFFFAOYSA-N	281.352	1.374	10	20	CDCD	
C[C@@H](NC(=O)c1ccc(=O)n(C)c1)c1ccc(N(C)C)cc1	773018892	JDNRPCPROLEARQ-GFCCVEGCSA-N	299.374	1.942	10	20	CDCD	
CCO[C@@H](C(=O)NCCc1ccc(N)cc1)C1CC1	876527835	MDMYYOWWCICLLX-CQSZACIVSA-N	262.353	1.743	10	20	CDCD	
C[C@H](NC(=O)[C@H]1CCC(=O)N1)c1ccc(N(C)C)cc1	772998191	ISIINRNJBBOLHW-GXFFZTMASA-N	275.352	1.208	10	20	CDCD	
C[C@H](NC(=O)c1ccc(O)nn1)c1ccc(N(C)C)cc1	773020658	PZMPRCAPJMARSB-JTQLQIEISA-N	286.335	1.739	10	20	CDCD	
C[C@H](N[C@H](C)CN1CCN(C)CC1)c1c(O)cccc1F	886525003	VOMAWVBXFMFOGA-OLZOCXBDSA-N	295.402	1.818	10	20	CDCD	
CN(C)c1ccc(CN[C@@H](CO)C[C@H]2CCCO2)cc1F	886226679	PTHRUVOBFCZGRD-ZIAGYGMSSA-N	296.386	1.911	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@H]2C[C@H]2F)cc1F	1120960506	DYABWKPKFAGQPO-VHSXEESVSA-N	254.280	1.866	10	20	CDCD	
CCN(CC)c1ccc(CN2C[C@H](O)C[C@@]2(C)CO)cc1	895327359	MOMUQTSTGNBQAQ-SJORKVTESA-N	292.423	1.850	10	20	CDCD	
COc1cc(C)cc(CN[C@H]2CCC[C@@H]2O)c1O	895449337	HBLZMYQDUJUGNR-RYUDHWBXSA-N	251.326	1.712	10	20	CDCD	
COc1ccc(CNC(=O)N[C@@H](C)[C@@H]2CCOC2)c(O)c1	792962395	YZTDEDHRXQRTPL-CMPLNLGQSA-N	294.351	1.625	10	20	CDCD	
CC[C@H](NCc1cc2c(cc1O)OCO2)C(=O)O	1329426491	DZUVBJKNHLEEPV-QMMMGPOBSA-N	253.254	1.074	10	20	CDCD	
C[C@H](O)[C@H](NCc1c(O)ccc(Cl)c1F)C(=O)O	1339255398	XWFDRJCTAFMLAJ-RRAGMBSWSA-N	277.679	1.108	10	20	CDCD	
CO[C@@H]1CCC[C@H]1C(=O)NCc1ccc(O)c(O)c1	1262614411	HMPNNRRUTRXOHJ-ZWNOBZJWSA-N	265.309	1.529	10	20	CDCD	
O=C(NCc1cccc(O)c1O)[C@H]1C[C@]12CCOC2	1347232836	CFCPWZVBRFJGLU-YGRLFVJLSA-N	263.293	1.141	10	20	CDCD	
C[C@H](NC[C@@H](C)CN(C)C)c1cc(C(=O)O)ccc1O	1604183827	FUEQVVXKSCSZKL-MNOVXSKESA-N	280.368	1.939	10	20	CDCD	
Cc1nnc(COc2ccc(N(C)C)c(C(=O)O)c2)o1	1608015514	ILLFFHMOFXAXME-UHFFFAOYSA-N	277.280	1.721	10	20	CDCD	
C/C(=C\COC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)O	1609535154	HICKDHAHZWVYLR-USXIXMCRSA-N	278.260	1.685	10	20	CDCD	
COC(=O)[C@H](CCC(=O)O)Sc1nccs1	1598699651	ROGOAPYOSGKAGW-LURJTMIESA-N	261.324	1.642	10	20	CDCD	
O=C1NC(=S)S/C1=C/c1cc2[nH]c(C(=O)O)cc2o1	1777698880	GXXHXZXFDARVPJ-KRXBUXKQSA-N	294.313	1.948	10	20	CDCD	
O=C(COc1ccccc1F)NCc1ccc(O)c(O)c1	158902173	HVEODYBSNZBKLY-UHFFFAOYSA-N	291.278	1.932	10	20	CDCD	
O[C@H]1C[C@@H](NCc2ccc(N3CCOCC3)cc2)C1	825256907	LRPSSZGEGFRMAK-OTVXOJSOSA-N	262.353	1.136	10	20	CDCD	
CNC[C@H]1CCN(Cc2c(O)cccc2OC)C1	843052986	RZWXIQHFXOCDDE-LLVKDONJSA-N	250.342	1.442	10	20	CDCD	
CON(C)CCNCc1ccc(N2CCOCC2)cc1	883173695	RBURRKKVBQVIJI-UHFFFAOYSA-N	279.384	1.106	10	20	CDCD	
CCCNC(=O)CN[C@@H](C)c1cc(C)ccc1O	36780994	CAXNXOVQEIFKLU-NSHDSACASA-N	250.342	1.877	10	20	CDCD	
Cn1cncc1CNCc1cc2c(cc1O)OCO2	388379765	KPGVTHCTXATDNE-UHFFFAOYSA-N	261.281	1.144	10	20	CDCD	
CCN1C[C@@H](N[C@H](C)c2cc(C)ccc2O)CC1=O	391497415	TVXQAEDGUVLCLY-NEPJUHHUSA-N	262.353	1.972	10	20	CDCD	
COC[C@@]1(C(=O)N[C@H](C)c2ccccc2O)CCNC1	870987704	AQKFTPSMOJBCGX-IAQYHMDHSA-N	278.352	1.196	10	20	CDCD	
O=C(O)[C@@H](NCc1ccccc1O)[C@H]1CCCOC1	1350610110	DCNAAYIRTQZUJC-AAEUAGOBSA-N	265.309	1.362	10	20	CDCD	
COc1cccc(CN2C[C@H](CN)C[C@@H]2C)c1O	216050142	YPTGOKSRGHVFJK-QWRGUYRKSA-N	250.342	1.570	10	20	CDCD	
O=C(O)[C@@H]1CN(C(=O)c2cccc(O)c2O)c2ccccc21	318764210	LPVLIVDPXYRUCZ-LLVKDONJSA-N	299.282	1.926	10	20	CDCD	
CN1CCC[C@H](N(C)C(=O)/C=C/c2ccc(O)c(O)c2)C1	181122402	JWPWXBSAJBIDKK-CFNZNRNTSA-N	290.363	1.664	10	20	CDCD	
C[C@@H]1C[C@H](NC(=O)c2cccc(O)c2O)CN1C1CC1	185819864	AWOWDZAFPOIYCB-ZJUUUORDSA-N	276.336	1.453	10	20	CDCD	
CCN(CC)CCNC(=O)NCc1ccc(N(C)C)cc1	47578348	FDSRQQIQSZPLIE-UHFFFAOYSA-N	292.427	1.894	10	20	CDCD	
CS(=O)(=O)CC1(CC(=O)NCc2ccccc2O)CC1	80106232	FURKNZWDSVIDDH-UHFFFAOYSA-N	297.376	1.223	10	20	CDCD	
Cc1ccc(C(=O)NCC23CC(CO2)C3)c(O)c1O	529872219	SYDCPYSZHFTGJE-UHFFFAOYSA-N	263.293	1.315	10	20	CDCD	
CCN1CCN(Cc2cc(OC)c(OC)cc2O)CC1=O	273375976	FZLOIXGYLQJGOC-UHFFFAOYSA-N	294.351	1.074	10	20	CDCD	
C[C@@H](O)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	276340108	IFWGDHMHJQFCDL-YPMHNXCESA-N	279.336	1.281	10	20	CDCD	
C[C@H](NC[C@H](O)CN1CCCC1)c1ccc(F)cc1O	273382183	IOAAXIHIHLHZJW-AAEUAGOBSA-N	282.359	1.639	10	20	CDCD	
Cc1ccc2c(c1)CCN2C(=O)c1ccoc1CC(N)=O	803013609	WEZQTPFINGIEFO-UHFFFAOYSA-N	284.315	1.819	10	20	CDCD	
C[C@@H](N[C@@H]1COC[C@H]1O)c1ccc(N(C)C)cc1	296082336	XLONPFJBMSXHSQ-LERXQTSPSA-N	250.342	1.163	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)[C@@H]1CCc2cccnc21	819906945	KROADYZQBHFFIX-CYBMUJFWSA-N	298.342	1.882	10	20	CDCD	
CC(C)(C)NC(=O)CCNC(=O)NCc1ccccc1O	728132365	OMRPQDBNGANYBQ-UHFFFAOYSA-N	293.367	1.496	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2ccn(C)n2)c1	728979520	XNTDFCGEGDRVIZ-SECBINFHSA-N	275.308	1.625	10	20	CDCD	
COCCN(C(=O)c1cc(O)cs1)C1CCOCC1	829746533	QTLBOQWWNIAWIB-UHFFFAOYSA-N	285.365	1.721	10	20	CDCD	
C[C@@H](NC(=O)[C@H]1CCOC(=O)N1)c1ccccc1O	827952094	GHVSUHKVAIRTRG-PSASIEDQSA-N	264.281	1.068	10	20	CDCD	
O=C1CN(Cc2ccc(Br)cc2O)CCN1	824516936	XBZDJHPFPJBDTA-UHFFFAOYSA-N	285.141	1.087	10	20	CDCD	
CC(C)(CNC(=O)NCc1ccccc1O)C(=O)O	826585572	OICBNSIQEPFKFA-UHFFFAOYSA-N	266.297	1.302	10	20	CDCD	
C[C@@H](CN)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	829002869	GFPVHGRORRFVOC-JSGCOSHPSA-N	292.379	1.495	10	20	CDCD	
Cn1ccc(COC(=O)c2cc(O)cs2)cc1=O	732355645	RIJXSCJDSNQGGW-UHFFFAOYSA-N	265.290	1.509	10	20	CDCD	
COc1ccc(O)c(CN2CC(OCC(F)F)C2)c1	839138833	ULHPFQQNDWTPMF-UHFFFAOYSA-N	273.279	1.867	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1ccnn1C	734405762	JQJWNGVBOVMEOX-UHFFFAOYSA-N	272.352	1.725	10	20	CDCD	
COc1ccc(CNC(=O)[C@H](CC(C)C)C(N)=O)c(O)c1	839747283	HFIDSHAOHSTLGK-GFCCVEGCSA-N	294.351	1.165	10	20	CDCD	
O=C(O)[C@H]1CN(Cc2c(O)ccc3ccncc23)CCO1	738548992	NHLJOXYXCJXEGN-CQSZACIVSA-N	288.303	1.226	10	20	CDCD	
C[C@H](NC(=O)Cc1ccc(N)cc1)[C@H](O)Cc1ccccc1	831425882	HQRUZNLJJBXHSM-SUMWQHHRSA-N	298.386	1.920	10	20	CDCD	
CN(C)c1ccc(CN2CCO[C@H](CF)C2)cc1	839623076	XKTGTNMAKVLNHB-CQSZACIVSA-N	252.333	1.923	10	20	CDCD	
C[C@H](CNCc1cccc(Br)c1O)C(=O)O	848637224	DDCQFWVCPUBCAD-SSDOTTSWSA-N	288.141	1.965	10	20	CDCD	
Nc1ccc(CCNC(=O)N2CCC[C@@H]2CCO)cc1	841955913	RFJXTWBULOWIAX-CQSZACIVSA-N	277.368	1.368	10	20	CDCD	
C[C@@H](COCC1CC1)NC(=O)NCCc1ccc(N)cc1	846173398	QCHDJABEPHDBTK-LBPRGKRZSA-N	291.395	1.926	10	20	CDCD	
CCN1C(=O)/C(=C\c2nn(CC)nc2C)SC1=S	840729199	MNSKJIWBFDTEHN-RMKNXTFCSA-N	282.394	1.828	10	20	CDCD	
CCCN(CC)CCNC(=O)C(=O)Nc1ccc(N)cc1	841054635	FWLXDDCXNLEFPF-UHFFFAOYSA-N	292.383	1.055	10	20	CDCD	
C[C@H](CN)NC(=O)N(C)Cc1ccc(N(C)C)cc1	841970058	UQRDXCKLZLGDTK-LLVKDONJSA-N	264.373	1.241	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1CC[C@@H](S(C)(=O)=O)C1	840942839	HIHKFGBWEFNOOR-OAHLLOKOSA-N	296.436	1.680	10	20	CDCD	
Cc1ccc([C@H](O)CNCc2cc3c(cc2O)OCO3)o1	741262819	WVYIRRZOFIBJMD-GFCCVEGCSA-N	291.303	1.846	10	20	CDCD	
CCc1cccc(CNCCN2CCO[C@@H](C)C2)c1O	848895605	OOIHDSSKIFYSFO-ZDUSSCGKSA-N	278.396	1.765	10	20	CDCD	
Oc1ccccc1CN(C[C@@H]1CCNC1)C[C@H]1CCCO1	843356396	MWEBEJLKGJITMZ-GDBMZVCRSA-N	290.407	1.983	10	20	CDCD	
COC(=O)CN(C)Cc1ccc(N(C)C)cc1C	840910726	QUQFWNGQUXMEKI-UHFFFAOYSA-N	250.342	1.666	10	20	CDCD	
COc1ccc(O)c(CNC(=O)N[C@@H]2C=CCC2)c1	853736431	AWDBBKPFTOOTOS-LLVKDONJSA-N	262.309	1.919	10	20	CDCD	
CN(Cc1ccn(C)c(=O)c1)c1ccc2c(c1)OCO2	756653419	JAQDWJWYHZJIPC-UHFFFAOYSA-N	272.304	1.750	10	20	CDCD	
O=C(N[C@@H]1CCn2cncc2C1)c1cccc(O)c1O	857947134	LETRIXSJHMLLTB-SECBINFHSA-N	273.292	1.039	10	20	CDCD	
CCOC(=O)c1cnc(Sc2n[nH]c(CO)n2)s1	853520103	LMROKLWVWPXSLV-UHFFFAOYSA-N	286.338	1.081	10	20	CDCD	
COc1ccc(O)c([C@@H](C)N[C@H](CO)C2CCOCC2)c1	757657726	FSUHJXKGYHPCJV-IAQYHMDHSA-N	295.379	1.839	10	20	CDCD	
C[C@@H]1CCN(C(=O)c2c(F)ccc(O)c2O)C[C@H]1CO	857361177	MTOGFOKHQVHNQW-BDAKNGLRSA-N	283.299	1.327	10	20	CDCD	
O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(O)c(F)c1	755590332	KAFIWVCFJLAURS-WQLSENKSSA-N	298.273	1.993	10	20	CDCD	
COc1ccc(CNC[C@]2(C(=O)O)CCCOC2)cc1C	864524369	FHXOPLPPARSRQX-MRXNPFEDSA-N	293.363	1.975	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@H]2CCn3ccnc3C2)c1	862755751	XJCGQNCIRBONCK-LBPRGKRZSA-N	285.347	1.776	10	20	CDCD	
CN(C)c1cc(F)c(CN2CCN(CCO)CC2)cc1F	862210816	XJMOFAGYOGDMMK-UHFFFAOYSA-N	299.365	1.141	10	20	CDCD	
CCN(CCN)C(=O)c1cc(C)n(-c2ccccn2)c1C	877006884	VDKVXSWVKJMUGR-UHFFFAOYSA-N	286.379	1.910	10	20	CDCD	
CCOc1ccc(CN[C@@H](C)CC(N)=O)c(O)c1	776251239	RTVFHOASUSDSCP-VIFPVBQESA-N	252.314	1.144	10	20	CDCD	
Cc1cc(Cn2cc(CCCN)nn2)ccc1N(C)C	881377752	UDUJBUIJSXTOKW-UHFFFAOYSA-N	273.384	1.592	10	20	CDCD	
C[C@@H](NC[C@H]1CNC(=O)C1)c1c(O)cccc1F	886625213	LBSXPUWAEKVQMU-BDAKNGLRSA-N	252.289	1.318	10	20	CDCD	
CC1(C(=O)OCC(=O)c2ccc(O)c(O)c2)CC1	784144984	UPAHMQRVZLFJOI-UHFFFAOYSA-N	250.250	1.624	10	20	CDCD	
CCOCCNC(=O)NCc1ccc(OC)cc1O	792809373	NMXZIFDZFDHWDQ-UHFFFAOYSA-N	268.313	1.237	10	20	CDCD	
CC[C@H](CN1CCCC1)NC(=O)c1cccc(O)c1O	790726977	NHMZFBFWJQZDMI-LLVKDONJSA-N	278.352	1.702	10	20	CDCD	
COc1ccc(CNC(=O)COC[C@H]2CCCO2)c(O)c1	794383481	PEECYNKAMCVOIR-CYBMUJFWSA-N	295.335	1.213	10	20	CDCD	
CN1C(=O)Cc2cc(NC(=O)c3cccc(O)c3O)ccc21	790098674	ZRJMCJFGCUHFRJ-UHFFFAOYSA-N	298.298	1.869	10	20	CDCD	
CCn1cc(CNC(=O)NCc2ccc(N)cc2)cn1	1336876787	MJXCYEPTJYDKDC-UHFFFAOYSA-N	273.340	1.485	10	20	CDCD	
CN1CCN(Cc2cc3c(cc2O)OC[C@H]3O)CC1(C)C	1331036995	QTFYRGHOFVPMLX-CQSZACIVSA-N	292.379	1.344	10	20	CDCD	
COc1cc(N2CCNCC2)c([N+](=O)[O-])cc1OC	213423542	FZGRSZPHAXQFCZ-UHFFFAOYSA-N	267.285	1.022	10	20	CDCD	
O=C(NCc1ccoc1C(=O)O)c1cc(O)cs1	1608474256	FHBZBODEKNJUKZ-UHFFFAOYSA-N	267.262	1.675	10	20	CDCD	
O=C(O)Cc1cccc(NC(=O)c2cccc(O)c2O)n1	1610796161	BAAITHNBNBNHAW-UHFFFAOYSA-N	288.259	1.372	10	20	CDCD	
Cc1cc(CCC(=O)NCc2ccc(N)cc2)n[nH]1	1579590429	ZRNIYDZFTZWFRZ-UHFFFAOYSA-N	258.325	1.549	10	20	CDCD	
C[C@H]1C[C@@H](C(=O)O)CN(C(=O)Cc2ccc(O)c(O)c2)C1	1589269101	PVICPTCMVJIWNZ-GXSJLCMTSA-N	293.319	1.210	10	20	CDCD	
CN(C)c1ccc(/C=C\CN[C@@](C)(CO)C(=O)O)cc1	1598314116	BHMROBUZDGALSB-XVWMLYKFSA-N	278.352	1.191	10	20	CDCD	
C[C@H]1C[C@H](NC(=O)c2cccc(O)c2O)CCN1C	126499818	VQRZPFVJIZNQPR-VHSXEESVSA-N	264.325	1.310	10	20	CDCD	
Cc1cccc(O)c1CNC[C@H](C)S(C)(=O)=O	877120670	LVGLFDHGHAEKSJ-JTQLQIEISA-N	257.355	1.223	10	20	CDCD	
COc1ccc(O)c([C@H](C)NCc2ccnn2C)c1	71333076	VFTPVXRAVVAVNZ-JTQLQIEISA-N	261.325	1.985	10	20	CDCD	
COC(=O)N(C)CCNC(=O)Nc1ccc(N)cc1	689509400	JVAZCTXPNKLFLE-UHFFFAOYSA-N	266.301	1.089	10	20	CDCD	
CO[C@@H]1COC[C@@H]1N[C@@H](C)c1cc(C)ccc1O	840827017	ZEMAVTXOHHCWRO-VHRBIJSZSA-N	251.326	1.765	10	20	CDCD	
COc1cc(Cl)cc(CN[C@H]2COC[C@@H]2OC)c1O	290811735	GDPBOLZNXUHSDG-JQWIXIFHSA-N	287.743	1.558	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@H]2CCOC2)cc1F	69914414	QWMYHFJGFHLVPX-LLVKDONJSA-N	266.316	1.544	10	20	CDCD	
C[C@@H](CCO)NC(=O)NCc1ccc(N2CCCC2)cc1	172549220	LSBITJZBPOXRLV-ZDUSSCGKSA-N	291.395	1.857	10	20	CDCD	
COc1cccc(CNC(=O)c2cc(C)no2)c1O	68488428	LONZCDBNJGAVSK-UHFFFAOYSA-N	262.265	1.627	10	20	CDCD	
CN(C[C@@H](O)C1CC1)C(=O)NCc1ccc(N(C)C)cc1	304788622	QHJRGOYMHRCOGS-OAHLLOKOSA-N	291.395	1.665	10	20	CDCD	
Cc1ccc([C@H](C)N[C@@H](C)CN2CCN(C)CC2)c(O)c1	185392733	XWEAXLYSKRWABD-GJZGRUSLSA-N	291.439	1.987	10	20	CDCD	
Cc1ccc([C@@H](C)NCCNC(=O)c2ccn[nH]2)c(O)c1	186511321	ASPVHCNDMYXJSC-LLVKDONJSA-N	288.351	1.504	10	20	CDCD	
CCN(CC)CC(=O)N[C@H](C)Cc1ccc(O)c(O)c1	183469612	XERMDHLDOLOCKY-LLVKDONJSA-N	280.368	1.487	10	20	CDCD	
Cc1cc(S(=O)(=O)NCCc2ccc(N)cc2)c(C)o1	193339217	IXSKJELENYQKQP-UHFFFAOYSA-N	294.376	2.000	10	20	CDCD	
C[C@H](CCCO)NCc1cc2c(cc1O)OCO2	94941933	UCHZATBTZBMSNF-SECBINFHSA-N	253.298	1.372	10	20	CDCD	
CS(=O)(=O)C[C@@H]1CCN(Cc2cc(F)ccc2O)C1	292863974	VPYRBCMWRUICGH-SNVBAGLBSA-N	287.356	1.398	10	20	CDCD	
NCCCC(=O)NCc1ccc(N2CCSCC2)cc1	237926240	GXFYYDMLYKFACL-UHFFFAOYSA-N	293.436	1.595	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)C2(N)CC2)cc1F	236909786	ZEBOTJZROUWYCG-UHFFFAOYSA-N	279.359	1.779	10	20	CDCD	
CNC(=O)[C@@H]1CCCCN1Cc1cc(F)ccc1O	179934320	AELLXESHPYTOTE-LBPRGKRZSA-N	266.316	1.632	10	20	CDCD	
COC[C@@H]1CCN(C(=O)NCc2ccc(N(C)C)cc2)C1	265762242	KGWROXCCBJEYQU-CQSZACIVSA-N	291.395	1.931	10	20	CDCD	
COc1cccc(CNC(=O)[C@]2(C)CCCOC2)c1O	272615041	AOTKNZXIZQHOFW-OAHLLOKOSA-N	279.336	1.834	10	20	CDCD	
CC(C)[C@@H]1NC(=O)N(Cc2ccc(N(C)C)c(F)c2)C1=O	272022653	AGMLRNOGPVKOQM-ZDUSSCGKSA-N	293.342	1.968	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)NC[C@@H](C)OC)c1	276877580	FUAVZOYLWBOEGU-ZJUUUORDSA-N	267.325	1.864	10	20	CDCD	
COc1cc(O)c(CN2CCNC(=O)C[C@H]2C)cc1OC	377889772	QKDXRBBDHPLKJD-SNVBAGLBSA-N	294.351	1.120	10	20	CDCD	
COCCCONC(=O)c1ccc(C)c(O)c1O	805043504	VWXBIYZQFYPIGG-UHFFFAOYSA-N	255.270	1.104	10	20	CDCD	
Cc1cc(Cl)cc([C@H](C)NC[C@H](O)CN(C)C)c1O	808693997	XHULROOXHYNYJO-JQWIXIFHSA-N	286.803	1.927	10	20	CDCD	
C[C@@H](N[C@H](C)c1cc(F)cc(F)c1O)C(=O)NCCF	800498556	NFTCKAOYKLVPSW-HTQZYQBOSA-N	290.285	1.795	10	20	CDCD	
C[C@H](N)[C@@H]1COCC[C@H]1NCc1ccc2c(c1)CCO2	817902296	MPNUGCOYAZZNAO-TUKIKUTGSA-N	276.380	1.463	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)c1cccnc1F	813489431	ZHHZNGXSYPMXLH-UHFFFAOYSA-N	262.240	1.562	10	20	CDCD	
Oc1c(CN2C[C@H](O)[C@H](O)C2)ccc2ccccc12	816513425	QDGUKRZHOQIEOL-OKILXGFUSA-N	259.305	1.083	10	20	CDCD	
COCCOc1ccccc1NC[C@@H](O)Cn1cccn1	819426183	KXOXCDBDRNTNCG-CYBMUJFWSA-N	291.351	1.381	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)CNCC2CC2)c1	828667874	VRYQBCGVCLSODK-JTQLQIEISA-N	278.352	1.578	10	20	CDCD	
CNCCCC(=O)N[C@H](C)c1cc(OC)ccc1O	828666885	JNWNPEUEYSFQPD-SNVBAGLBSA-N	266.341	1.578	10	20	CDCD	
CNC(=O)C[C@H](C)NCc1cc(Cl)c(F)cc1O	825067716	DWWCWMXXCLRGTP-ZETCQYMHSA-N	274.723	1.799	10	20	CDCD	
Cc1cc(CN(C)CC(N)=O)ccc1N1CCCCC1	827406424	KRTUAFNELJBUFK-UHFFFAOYSA-N	275.396	1.902	10	20	CDCD	
CCOc1cc(C(=O)NCc2ccc(OC)cc2O)on1	831032493	FAVMIXPDHCVYAE-UHFFFAOYSA-N	292.291	1.718	10	20	CDCD	
Nc1ccc(CC(=O)N2CCCN(CC(F)F)CC2)cc1	831486836	ZLSSELDAIQLFAU-UHFFFAOYSA-N	297.349	1.611	10	20	CDCD	
Cc1cnc(CCNC(=O)c2ccc(C)c(O)c2O)cn1	837222943	IVAYBMVBLXUGSJ-UHFFFAOYSA-N	287.319	1.477	10	20	CDCD	
O=C1[C@@H](NCc2cc(F)ccc2O)C[C@@H]2CCCCN12	835075016	UJGYWFALLPANIB-STQMWFEESA-N	278.327	1.774	10	20	CDCD	
CCO[C@@H]1COC[C@H]1N[C@@H](C)c1cc([N+](=O)[O-])ccc1O	834904819	QUCZKSRIFFVUOI-MRCXROJRSA-N	296.323	1.755	10	20	CDCD	
COC(=O)c1cnc(SC[C@]2(O)CCCOC2)s1	849325360	GGFKTYGKBCUXFX-NSHDSACASA-N	289.378	1.563	10	20	CDCD	
CNC1(C(=O)NC[C@H](N)c2ccc(N(C)C)cc2)CCC1	911667763	SETABFNIBGBQDB-AWEZNQCLSA-N	290.411	1.011	10	20	CDCD	
CN1CCC[C@H](NCc2cc([N+](=O)[O-])ccc2O)C1=O	748242831	SBJNPWFOYHVADP-NSHDSACASA-N	279.296	1.011	10	20	CDCD	
CCC[C@@H]1CNCCN1C(=O)NCCc1ccc(N)cc1	841955588	HMCJZQXEOGNFNW-OAHLLOKOSA-N	290.411	1.595	10	20	CDCD	
COc1cccc([C@H](C)N[C@H](C)C[S@](C)=O)c1O	846162611	IOKMJZRLNBOJCM-JJQCHNSYSA-N	271.382	1.818	10	20	CDCD	
CCOc1ccc(O)c(CN(C)[C@H]2CCNC2)c1	843049757	VQOKCJUESUCNHR-LBPRGKRZSA-N	250.342	1.585	10	20	CDCD	
CCOC[C@H](C)NC[C@H](N)c1ccc(N(C)C)cc1	841045827	QYEFEDNWTVKUMW-WFASDCNBSA-N	265.401	1.767	10	20	CDCD	
CCNCCCNC(=O)NCCc1ccc(N)cc1	841917115	FGBHYRRSDQJXDO-UHFFFAOYSA-N	264.373	1.110	10	20	CDCD	
O=C1N[C@H]2CN(C(=O)c3cc(O)cs3)CC[C@@H]2CO1	844153499	VHIZCHGDRNSMRH-APPZFPTMSA-N	282.321	1.024	10	20	CDCD	
C[C@@H](N[C@H]1CCc2c(nnn2C)C1)c1cc(F)ccc1O	848562495	DTDFSVJMBHREPS-KOLCDFICSA-N	290.342	1.868	10	20	CDCD	
Cc1cc(C(=O)NC[C@@H]2CCN2C)c(C)n1-c1ccccn1	928570493	ULEBCXXNWUZDSH-AWEZNQCLSA-N	298.390	1.923	10	20	CDCD	
CCC[C@H](O)CC(=O)NCc1ccc(N(C)C)cc1	750091823	FCAGBSVHSYRJNY-AWEZNQCLSA-N	264.369	1.920	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)N[C@@H]2CO[C@H](C)C2)c1	858575363	YSIVUJOERVGSKV-PWSUYJOCSA-N	264.325	1.677	10	20	CDCD	
COc1cccc(CNC(=O)CCn2cccc2)c1O	751060210	HCDFRHKGELKWDY-UHFFFAOYSA-N	274.320	1.909	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ncccn1	935944054	LAMCNKATDDJNAJ-UHFFFAOYSA-N	278.308	1.598	10	20	CDCD	
Cc1conc1C(=O)NCc1ccc(N(C)C)cc1	864572899	CAQZJSSPZPGVRU-UHFFFAOYSA-N	259.309	1.979	10	20	CDCD	
Cc1cc(O)c(CNCCN2CC[C@H](O)C2)cc1Cl	862552003	RFDQQLUJPBLSKS-LBPRGKRZSA-N	284.787	1.510	10	20	CDCD	
CC[C@@H](NC(C)=O)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	867302351	OIFNVKSKUXGQIC-BXKDBHETSA-N	294.351	1.060	10	20	CDCD	
CO[C@@]1(C)C[C@H]1NC(=O)N[C@H](C)c1ccccc1O	868789425	PYSFDWVZKBMGIP-IUPBHXKESA-N	264.325	1.930	10	20	CDCD	
O=C(NCCc1ccncc1)NCc1ccccc1O	762657624	MDTRHXGHESOMIX-UHFFFAOYSA-N	271.320	1.829	10	20	CDCD	
CSC[C@H](CCO)NCc1ccc(C)cc1O	877052069	RBXWHILDMIRUTJ-LBPRGKRZSA-N	255.383	1.904	10	20	CDCD	
COC[C@H]1CN(Cc2c(C)cccc2O)C[C@@H](C)O1	877465163	VNKFYHCCZPIJHV-CHWSQXEVSA-N	265.353	1.936	10	20	CDCD	
C[C@@H](NCC(=O)N(C)C)c1ccc(N2CCOCC2)cc1	775258370	YTVMBCRRNUEVED-CYBMUJFWSA-N	291.395	1.262	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNS(=O)(=O)NC(C)C	778625305	UOFAVPGMFGINLJ-UHFFFAOYSA-N	285.413	1.393	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NCc2ccc(N)cc2)cn1	1120480302	PTUYDQZSENDXDU-UHFFFAOYSA-N	299.378	1.729	10	20	CDCD	
O=C(c1c(F)ccc(O)c1O)N1O[C@H]2C=C[C@H]1CC2	881450131	UMMYAOYGNVUVFE-YUMQZZPRSA-N	265.240	1.712	10	20	CDCD	
Oc1c(F)cc(Br)cc1CN1CC[C@H](O)C1	893946184	MFDIXVBHLANFII-VIFPVBQESA-N	290.132	1.860	10	20	CDCD	
C[C@@H]1CN(Cc2ccc(N3CCN(C)CC3)cc2)C[C@@H]1O	897681156	PSEQVDCADKMKKR-PBHICJAKSA-N	289.423	1.251	10	20	CDCD	
CCN1C[C@@H](C(=O)N(C)c2ccc(N)cc2)CC1=O	702070296	ABLPKEFIYGNOOU-JTQLQIEISA-N	261.325	1.100	10	20	CDCD	
CNC(=O)[C@@H]1CCCN(Cc2cc(F)cc(F)c2O)C1	894019994	KHDVSZUBLXRQGK-SECBINFHSA-N	284.306	1.628	10	20	CDCD	
COC[C@H](CCO)NCc1ccc2c(c1)CCO2	219135985	FUTMFCHISQMZMA-ZDUSSCGKSA-N	251.326	1.109	10	20	CDCD	
CCc1cnc(CNC(=O)/C=C/c2ccc(O)c(O)c2)o1	793834004	JITRROLUHCGFES-GQCTYLIASA-N	288.303	1.978	10	20	CDCD	
Nc1ccc(CNC(=O)N[C@H](CO)CC(F)(F)F)cc1	1337070780	WAVJGRBKWSJQNT-JTQLQIEISA-N	291.273	1.381	10	20	CDCD	
Nc1ccc(CN2CCC([C@H]3C[C@@H](N)CCO3)CC2)cc1	1334775307	VNFDWAXMAYQJFQ-DLBZAZTESA-N	289.423	1.987	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@@H](O)c1ccccn1	1346823213	ORACAQIHOOSRPE-INIZCTEOSA-N	299.374	1.806	10	20	CDCD	
O=C(Cc1cc(C2CC2)no1)NCc1cccc(O)c1O	1350299679	HFRXITRKDRRUOY-UHFFFAOYSA-N	288.303	1.822	10	20	CDCD	
COc1ccc(O)c(CN2CCCS(=O)(=O)CC2)c1	224472992	GPEVLHFFMHHDAJ-UHFFFAOYSA-N	285.365	1.021	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)OCC1(C(=O)O)CC1	1601238463	KZQMOUASJSKASP-RQOWECAXSA-N	278.260	1.519	10	20	CDCD	
C/C(=C/COC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)O	1609535152	HICKDHAHZWVYLR-CMJQDITDSA-N	278.260	1.685	10	20	CDCD	
C[C@H](NCc1cc2c(cc1O)OCO2)c1cn[nH]c1	229884900	ZBGJRXPFDLOVNX-QMMMGPOBSA-N	261.281	1.695	10	20	CDCD	
COCCC[C@H](NCc1ccc2c(c1)CCO2)C(=O)O	1777205071	WVNFBMCEHIMWTO-ZDUSSCGKSA-N	279.336	1.591	10	20	CDCD	
COc1cccc(O)c1CNC[C@@H](O)C1CCC1	825240574	MPTWXVDVSZIMNQ-CYBMUJFWSA-N	251.326	1.651	10	20	CDCD	
CCNC(=O)[C@H](C)N[C@@H](C)c1ccc(C)cc1O	36794559	OJTKAZVHZSHXOX-QWRGUYRKSA-N	250.342	1.876	10	20	CDCD	
CCNC(=O)[C@H](C)N[C@@H](C)c1ccc(N(C)C)cc1	37268342	DGTIZGYZUPXSAC-RYUDHWBXSA-N	263.385	1.928	10	20	CDCD	
CCc1cccc(CN[C@H](CO)C[C@H]2CCCO2)c1O	895750358	ZSXAGSFWIUGRDI-LSDHHAIUSA-N	279.380	1.974	10	20	CDCD	
C[C@@H](O)C(=O)N1CCN(Cc2cccc(Cl)c2O)CC1	180497758	NLLYBOKYHAOPTP-SNVBAGLBSA-N	298.770	1.071	10	20	CDCD	
CC(C)(C)[S@](=O)CCNC(=O)c1cccc(O)c1O	187089286	KXGMGANMBBVZIE-LJQANCHMSA-N	285.365	1.375	10	20	CDCD	
CN(CC(=O)NC1CC1)Cc1cc(Cl)ccc1O	120336984	AFNPEPINOMKIRH-UHFFFAOYSA-N	268.744	1.756	10	20	CDCD	
CN(C[C@@H]1CCC[C@H]1O)C(=O)/C=C/c1ccc(O)c(O)c1	181261652	DPCZHJUVPCRPNF-FRNKVXGRSA-N	291.347	1.730	10	20	CDCD	
CCCCN(CCO)C(=O)/C=C/c1ccc(O)c(O)c1	180918307	JWRFQVCDTLPOHH-FNORWQNLSA-N	279.336	1.732	10	20	CDCD	
COc1ccc(O)c(CNC(=O)C2(SC)CC2)c1	190724663	QRYJDMRISRDMDA-UHFFFAOYSA-N	267.350	1.913	10	20	CDCD	
CCCNC(=O)CCN[C@H](C)c1ccccc1O	45072216	HCWDGGRHCVORKD-LLVKDONJSA-N	250.342	1.959	10	20	CDCD	
Cc1ccc(C(=O)N[C@H](C)c2ncn(C)n2)c(O)c1O	275611517	QOVGKXFJWBBSJJ-MRVPVSSYSA-N	276.296	1.026	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@H](C)C[S@@](C)=O)c1	273438804	MODQIVTZTCFJCB-ZJNREGCTSA-N	299.392	1.596	10	20	CDCD	
CC(C)[C@H](NC(=O)c1cccc(O)c1O)c1ncon1	287061712	MDEVOKHVYGZMBI-JTQLQIEISA-N	277.280	1.608	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)NCc2cnnn2C)c1	287162699	BUQRKRKGFIWRCD-SECBINFHSA-N	290.323	1.158	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)c1ccnc2c1nnn2C	801169354	UWPBHEHZIGNEDF-UHFFFAOYSA-N	297.318	1.341	10	20	CDCD	
C[C@@H](CO[C@H]1CCOC1)NC(=O)c1c(F)ccc(O)c1O	294802119	BWUCBLRAFGHFGV-IUCAKERBSA-N	299.298	1.161	10	20	CDCD	
C[C@H](N[C@H]1CCNC1)c1cc([N+](=O)[O-])ccc1O	817944521	FRXICLUAGLVURJ-IUCAKERBSA-N	251.286	1.313	10	20	CDCD	
CCNCC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1	818613673	XEWYKFAAVUFTPJ-CYBMUJFWSA-N	291.395	1.247	10	20	CDCD	
Cc1noc([C@@H](C)NC(=O)c2c(F)ccc(O)c2O)n1	825636195	AIYDVHAYORHCCX-RXMQYKEDSA-N	281.243	1.419	10	20	CDCD	
O=C(c1c(F)ccc(O)c1O)N1CC(CC(F)F)C1	822438882	YHIUFFUKYOTRMF-UHFFFAOYSA-N	275.226	1.964	10	20	CDCD	
COc1cccc(CN2C[C@@H]3CCN(C)[C@@H]3C2)c1O	824892965	HMPFUNFZHRXYGV-WCQYABFASA-N	262.353	1.537	10	20	CDCD	
C[C@@H](NC[C@@]1(C)CCC(=O)N1)c1cc(F)ccc1O	834908903	MQOMFVQOMMBREQ-YMTOWFKASA-N	266.316	1.851	10	20	CDCD	
CC[C@H](NC(=O)c1c(F)ccc(O)c1O)C(OC)OC	839743121	UNGQNLRDAOKGSY-QMMMGPOBSA-N	287.287	1.364	10	20	CDCD	
O=C(NCCN1CCSCC1)c1cc(O)cs1	732833587	BYHHVPMPKJFLSO-UHFFFAOYSA-N	272.395	1.232	10	20	CDCD	
CC(C)[C@@H](CO)ONC(=O)/C=C/c1ccc(O)c(O)c1	836892636	ROOYQSXIWLZTDU-DIECRNLCSA-N	281.308	1.176	10	20	CDCD	
C[C@]1(CNCc2c(O)cccc2Cl)CCC(=O)N1	835059565	BYEJWZLQQVNZRS-CYBMUJFWSA-N	268.744	1.804	10	20	CDCD	
C[C@@H](CC(=O)NCCc1ccc(O)c(O)c1)n1ccnc1	917355568	IWWMGTNVLZJLCT-NSHDSACASA-N	289.335	1.604	10	20	CDCD	
CCCN(CC1CC1)C(=O)C(=O)Nc1ccc(N)cc1	841012050	XKKRXLWDSCKBQM-UHFFFAOYSA-N	275.352	1.856	10	20	CDCD	
CC[C@@H](C(=O)NCc1ccc(N(C)C)c(F)c1)[C@@H](C)O	842229768	NJEVLCLJWNYVKE-ZYHUDNBSSA-N	282.359	1.915	10	20	CDCD	
Cc1ccc(O)c(CN[C@@H](C(=O)O)c2ccnn2C)c1	843038400	HEUCRIJLZVRVAJ-CYBMUJFWSA-N	275.308	1.350	10	20	CDCD	
CNCCNC(=O)NCc1ccc(N2CCCC2)cc1	841709639	JFCVBSRIWQAMGK-UHFFFAOYSA-N	276.384	1.305	10	20	CDCD	
CCN1C(=O)C(C)(C)N[C@H]1c1cc(OC)ccc1O	840831649	ILTCAIMRHLRROB-GFCCVEGCSA-N	264.325	1.630	10	20	CDCD	
CCOc1ccc(O)c(CN2CCO[C@@H]([C@H](C)N)C2)c1	843057907	NVMDRHHQUABDDK-XHDPSFHLSA-N	280.368	1.339	10	20	CDCD	
CC1(C)CC[C@@H]1NC(=O)C(=O)Nc1ccc(N)cc1	841130619	QYFCVSDGZXNJQT-NSHDSACASA-N	261.325	1.512	10	20	CDCD	
C[C@@H](NC(=O)[C@]1(O)CCOC1)c1ccc(N(C)C)cc1	840425114	ILYZMFYYHNBXDE-ABAIWWIYSA-N	278.352	1.081	10	20	CDCD	
COc1ccc(N(C)C[C@@H]2CCC(=O)N2)cc1F	844303188	OVOKISRPNLITDH-VIFPVBQESA-N	252.289	1.549	10	20	CDCD	
CCCOC(=O)[C@H](C)OC(=O)c1cc(O)cs1	745002175	HXPVLGGNOGTRBB-ZETCQYMHSA-N	258.295	1.952	10	20	CDCD	
CN(CC1CC1)S(=O)(=O)NCc1ccccc1O	751150477	GIQVMTQIPBJJKM-UHFFFAOYSA-N	270.354	1.068	10	20	CDCD	
CCOC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1cc(O)cs1	854845720	HXWVSUDQSITXCD-ZJUUUORDSA-N	283.349	1.915	10	20	CDCD	
CCOC(=O)[C@@H](C)OC(=O)/C=C\c1ccc(O)c(O)c1	759577557	BDQIDLMJFOBLMJ-WILPJHFFSA-N	280.276	1.606	10	20	CDCD	
Cc1nn(CN(C)Cc2ccc(N(C)C)cc2)c(=O)o1	853488983	XGELOWUAYCJVSB-UHFFFAOYSA-N	276.340	1.300	10	20	CDCD	
Cc1ccc([C@@H](C)NCc2nnnn2CC2CC2)c(O)c1	769989857	RFUOKPUSNHCFRV-LLVKDONJSA-N	287.367	1.948	10	20	CDCD	
C[C@H](NC(=O)c1cc(O)cs1)C1CCOCC1	762579455	QJPJABOEOVRYHK-QMMMGPOBSA-N	255.339	1.999	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(C)(C)C(N)=O	767759386	GDBASYBAWHUGJQ-UHFFFAOYSA-N	291.395	1.613	10	20	CDCD	
CN(Cc1cc2c(cc1O)OC[C@@H]2O)[C@@H]1CCOC1	768448099	BKRVGTSVDVJQNL-MFKMUULPSA-N	265.309	1.039	10	20	CDCD	
Cc1ccc(CNC[C@@H]2CC(=O)N(C3CC3)C2)c(O)c1	877614061	UQSWTPZBZZKFBB-LBPRGKRZSA-N	274.364	1.801	10	20	CDCD	
CN(C)C(=O)N1CCN(Cc2cc(Cl)ccc2O)CC1	133585516	ODVSWDFHMKVYMK-UHFFFAOYSA-N	297.786	1.845	10	20	CDCD	
O=C(C[C@@H]1CCOC1)NCc1ccc(O)c(O)c1	778930275	RWLBNEXRHGZPHW-JTQLQIEISA-N	251.282	1.141	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)NOCC(F)(F)F	779534434	QKWANKBIUJGWLI-RQOWECAXSA-N	277.198	1.721	10	20	CDCD	
CCCOc1ccc(CNCC(=O)NOCC)cc1C	873134224	YMKKVUQVPCWFAB-UHFFFAOYSA-N	280.368	1.941	10	20	CDCD	
C[C@H]1OCC[C@H]1NCc1ccc(N2CCN(C)CC2)cc1	771866688	UNKSGEXIAKEOGS-RHSMWYFYSA-N	289.423	1.705	10	20	CDCD	
CSC[C@@H](CCO)NC(=O)/C=C/c1ccc(O)c(O)c1	779532190	FSYBOVJKGBVBLA-JOAKQRRISA-N	297.376	1.341	10	20	CDCD	
Cc1ccc(C(=O)N2CCC[C@@H]2C2OCCO2)c(O)c1O	888437970	TWXXZNHHOYSUDE-LLVKDONJSA-N	293.319	1.384	10	20	CDCD	
COc1ccc(CNC[C@@H](C)OC)c(O)c1OC	893911968	XIGQYZYEABROPE-SECBINFHSA-N	255.314	1.534	10	20	CDCD	
CC1=CC(C(=O)Nc2ccc(-c3nnnn3C)cc2)=S=C1	1131225277	NAKRMLPBRUYVRT-UHFFFAOYSA-N	299.359	1.483	10	20	CDCD	
COC(=O)[C@H](NCc1ccc2c(c1)CCO2)C1CC1	272865201	FTQDOMLNKOWBPW-CQSZACIVSA-N	261.321	1.663	10	20	CDCD	
CC[C@@H](OC)C(=O)NCc1ccc(OC)cc1O	794390790	RDIJBJNDZHLKRJ-GFCCVEGCSA-N	253.298	1.442	10	20	CDCD	
CC(C)n1nccc1/C=C1/C(=O)NN(c2ccccc2)C1=O	794936708	YRVFJCUKXALCLO-UVTDQMKNSA-N	296.330	1.925	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@H]1CNCCC1(F)F	717303327	FOFYAODWLZHTQC-LLVKDONJSA-N	284.306	1.595	10	20	CDCD	
COCn1ncc(C)c1CNCc1ccc(OC)cc1O	1333764331	YOTZYTWGYRJSJW-UHFFFAOYSA-N	291.351	1.799	10	20	CDCD	
COC(=O)[C@]1(C)CCN(C(=O)NCc2ccc(N)cc2)C1	1346737856	ASWAZXFVDAWCQC-OAHLLOKOSA-N	291.351	1.363	10	20	CDCD	
O=C(O)[C@@H]1C[C@H](O)CN1Cc1cc(Cl)cc(F)c1O	1601771086	CZFKAJSPTGWCRZ-WPRPVWTQSA-N	289.690	1.205	10	20	CDCD	
Cc1ccc(C(=O)N(C)[C@H]2C[C@@H](C(=O)O)C2)c(O)c1O	1600330641	QTPKCCORIRZTGJ-DTORHVGOSA-N	279.292	1.341	10	20	CDCD	
Cc1cc(O)c(CN[C@@H](C(=O)O)c2ccn(C)n2)cc1C	1607699110	HFXVSJSNTCDFIK-CQSZACIVSA-N	289.335	1.658	10	20	CDCD	
O=C(Nc1nc2n(c1C(=O)O)CCC2)c1cc(O)cs1	1608526966	PQXZEHPOURQSJC-UHFFFAOYSA-N	293.304	1.547	10	20	CDCD	
O=C(O)/C=C/c1ccc(N2CC=C[C@H]2CO)c([N+](=O)[O-])c1	1601880631	DPZWVSSSKNQNGY-MALLOTDXSA-N	290.275	1.430	10	20	CDCD	
O=C(NCc1ccccc1O)NCC1(C(=O)O)CC1	1601543840	DOPUQGKJYYPGGO-UHFFFAOYSA-N	264.281	1.056	10	20	CDCD	
CCOc1ccc(O)c(CN2C[C@@H](O)C[C@H](C(=O)O)C2)c1	1610043607	WWJPVFKGCOQQEN-RYUDHWBXSA-N	295.335	1.058	10	20	CDCD	
C[C@@H]1OCC[C@@]1(O)CNCc1ccc2c(c1)CCO2	227981456	BGLGKQJGVFRIIT-XHDPSFHLSA-N	263.337	1.251	10	20	CDCD	
CN[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1	1578607113	WLUSDKKFMMQCBF-NSHDSACASA-N	275.312	1.283	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H](C(=O)O)C1CC1	1590346187	JXYPHXHZGDEDFR-LBPRGKRZSA-N	298.335	1.605	10	20	CDCD	
CC(C)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	34822963	LAQBDXKCWINPNW-AWEZNQCLSA-N	275.396	1.886	10	20	CDCD	
Cc1nnc(CNCc2c(O)cccc2Cl)n1C	393249047	WXPRKGRLFLUIKP-UHFFFAOYSA-N	266.732	1.772	10	20	CDCD	
OC[C@H](C[C@@H]1CCCO1)NCc1ccc2c(c1)CCO2	886228640	CMMUOXPCCUDZMB-GJZGRUSLSA-N	277.364	1.641	10	20	CDCD	
Oc1c(Cl)cccc1CNC[C@@]1(O)CCOC1	224918084	WDCUNUCBERXYBH-LBPRGKRZSA-N	257.717	1.287	10	20	CDCD	
CN(C)c1ccc(CN(C)[C@H]2CCS(=O)(=O)C2)cc1	102675097	MSWZRKFSFCCRTF-AWEZNQCLSA-N	282.409	1.372	10	20	CDCD	
O=C(/C=C/c1cccnc1)N1CCOc2ccncc21	174927411	IWARCPLDHMUUGE-ONEGZZNKSA-N	267.288	1.915	10	20	CDCD	
CC[C@H](C)[C@H](O)CNC(=O)c1ccc(C)c(O)c1O	179546325	CSYJEYKCQVOAEL-GZMMTYOYSA-N	267.325	1.543	10	20	CDCD	
CCN(CC)CC(=O)NCc1cc(OC)ccc1O	114541508	WASKBKOSFNXWQE-UHFFFAOYSA-N	266.341	1.359	10	20	CDCD	
CC(C)(CC(=O)O)NC(=O)c1cccc(O)c1O	126040871	AILNMAFZXNVENR-UHFFFAOYSA-N	253.254	1.081	10	20	CDCD	
Oc1cccc(Cl)c1CNC[C@@H]1COCCO1	83552031	UTKDBYLWLTWIMO-SECBINFHSA-N	257.717	1.551	10	20	CDCD	
COc1cccc(CNC[C@H]2CN3CCC[C@H]3CO2)c1O	252667300	IIECCQHOAXMGTC-KBPBESRZSA-N	292.379	1.354	10	20	CDCD	
CC(C)NS(=O)(=O)NCc1ccc(N2CCCC2)cc1	272239690	WFSBPTMCQILKKD-UHFFFAOYSA-N	297.424	1.619	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCn1ccnc1	274887892	CDZCPBUKETZUAP-NSHDSACASA-N	289.335	1.432	10	20	CDCD	
Oc1ccccc1CN1CCOC[C@H]1[C@@H]1CCCO1	377698887	MXCOFCSOJJRKHZ-ZFWWWQNUSA-N	263.337	1.772	10	20	CDCD	
C[C@H](CC(N)=O)C(=O)NCc1ccc(N2CCCC2)cc1	283021850	MBTMULVRDUVEQR-GFCCVEGCSA-N	289.379	1.415	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)[C@H](C)CC(N)=O	283375073	JSOJXSAJPJWEKO-LLVKDONJSA-N	278.352	1.642	10	20	CDCD	
CC(=O)C(=O)COC(=O)c1c(F)cccc1Cl	808488469	UVBJAIVLIRVGIK-UHFFFAOYSA-N	258.632	1.794	10	20	CDCD	
COC[C@H](NC(=O)c1c(F)ccc(O)c1O)[C@@H]1CCCO1	296467408	XQKPJXRZWUWAKK-ONGXEEELSA-N	299.298	1.161	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H]1CCOC1	808095002	NSRAFBLEKMYZQX-SNVBAGLBSA-N	270.325	1.531	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccnc1F	813513414	MNKDHXHMDHVYAI-VIFPVBQESA-N	290.294	1.993	10	20	CDCD	
C[C@H](N[C@@H](CN)C1CC1)c1cc([N+](=O)[O-])ccc1O	817959004	AAYPOQRHEJPFCW-UFBFGSQYSA-N	265.313	1.688	10	20	CDCD	
Nc1ccc(CCN[C@H](C2CC2)[C@@H]2CNCCO2)cc1	817958843	ZOEIOAIPAOSHKF-JKSUJKDBSA-N	275.396	1.168	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](O)C(C)C)c1	813488886	IEWNDOYCTVJVFL-RNCFNFMXSA-N	267.325	1.595	10	20	CDCD	
CN1C(=O)NCC12CCN(C(=O)c1cc(O)cs1)CC2	822443672	ZNGDUYFTXOJPPQ-UHFFFAOYSA-N	295.364	1.084	10	20	CDCD	
CN(CC1CCOCC1)C(=O)c1c(F)ccc(O)c1O	827623465	ITGVZYKHMYHADR-UHFFFAOYSA-N	283.299	1.736	10	20	CDCD	
CCOc1ccc(CNCCN2CCC(O)CC2)c(O)c1	825110336	FBADAWIZMNYSQB-UHFFFAOYSA-N	294.395	1.337	10	20	CDCD	
COc1cccc(O)c1CN1CC(O)(C(C)C)C1	839132618	JQEPPEYMSYRIJZ-UHFFFAOYSA-N	251.326	1.604	10	20	CDCD	
COc1ccc(CNC(=O)N[C@H](C)C[C@H](C)N)c(O)c1	831217625	DBPUELMGUXJEKO-VHSXEESVSA-N	281.356	1.326	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNC(C)(C)CN(C)C)c1O	835070005	OSRUAIRDWJOWNG-UHFFFAOYSA-N	297.355	1.739	10	20	CDCD	
O=C(CCCNC(=O)C1CC1)NCc1ccc(O)cc1O	910952037	PYJPOIZUCGZEAO-UHFFFAOYSA-N	292.335	1.020	10	20	CDCD	
COc1ccc(N(C)CC(=O)N(C)CC2CC2)cc1	844353410	WBQQLGXZDCLDLH-UHFFFAOYSA-N	262.353	2.000	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N[C@@H]2COC(=O)C2)cc1F	915371419	BTKQCPVKKJSTDL-JTQLQIEISA-N	295.314	1.006	10	20	CDCD	
COc1ccc(CNC(=O)N[C@H]2CC[C@@H](CN)C2)c(O)c1	842011323	SKEPBEAHXHEDIS-PWSUYJOCSA-N	293.367	1.327	10	20	CDCD	
Oc1cccc(Cl)c1CNCCN1CCNCC1	841043650	UPRVKYODKDBDJF-UHFFFAOYSA-N	269.776	1.040	10	20	CDCD	
Nc1ccc(NC(=O)C(=O)N2C[C@H]3CCC[C@@H](C3)C2)cc1	841129704	ZXJKFLZVXCKXKB-RYUDHWBXSA-N	287.363	1.856	10	20	CDCD	
C[C@H](c1nnnn1C1CC1)N1CCCc2cc(CN)ccc21	843350650	RZYIJXWZNODYPY-LLVKDONJSA-N	298.394	1.981	10	20	CDCD	
O=C(O)C1(C(=O)NCc2cc(Cl)ccc2O)CC1	911328808	BAPFYEXNLJTDOW-UHFFFAOYSA-N	269.684	1.527	10	20	CDCD	
Nc1ccc(CC(=O)N2CCNC[C@H]2c2ccncc2)cc1	843498542	PQCHHHPCLSUHDI-INIZCTEOSA-N	296.374	1.379	10	20	CDCD	
COC[C@]1(CNCc2cccc(F)c2O)CCCN1	841067959	RJGGLETXWGQCQE-CQSZACIVSA-N	268.332	1.390	10	20	CDCD	
COc1ccc(N2CC[C@@H](CNC(=N)N(C)C)C2)cc1	849043396	BMQJIZFRLXKIEQ-LBPRGKRZSA-N	276.384	1.607	10	20	CDCD	
O=C(c1c(F)ccc(O)c1O)N1C[C@H]2CC[C@@H](O)C[C@H]2C1	857304923	VCEZYZBWFHRVKR-KXUCPTDWSA-N	295.310	1.470	10	20	CDCD	
CCN[C@@H](C)C(=O)N1CCN(c2ccc(OC)cc2)CC1	856778434	LUCMVTMQQONQPY-ZDUSSCGKSA-N	291.395	1.342	10	20	CDCD	
COc1cccc(CNC(=O)C2(OC)CCCC2)c1O	754205576	APBISVRAFOMJQY-UHFFFAOYSA-N	279.336	1.976	10	20	CDCD	
COc1ccc(O)c(CN[C@@H]2CCCC[C@H]2O)c1	51994808	OFUUQZOZBPWCMX-TZMCWYRMSA-N	251.326	1.794	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cocn1	935947392	WZZYPJLAXKWTDN-UHFFFAOYSA-N	267.281	1.796	10	20	CDCD	
CN(C(=O)c1cc(O)cs1)[C@@H]1CCCC[C@H]1O	869924836	TZUYTUYLVBYIDU-NXEZZACHSA-N	255.339	1.829	10	20	CDCD	
CS[C@@H](CO)[C@H](C)NCc1ccc(C)cc1O	877048647	NRAZQAPSEHQUMZ-GWCFXTLKSA-N	255.383	1.903	10	20	CDCD	
C[C@H]1C[C@H](NC(=O)Cc2ccc(N)cc2)CCN1C	132924964	NOTFZDOSTPXZEO-SMDDNHRTSA-N	261.369	1.410	10	20	CDCD	
C[C@@H](NC(=O)CCc1cnn[nH]1)c1ccc(N(C)C)cc1	867502738	CAQUHJAWMKHCPX-LLVKDONJSA-N	287.367	1.681	10	20	CDCD	
CC(=O)N1CCC[C@H](C(=O)NCc2cc(C)ccc2O)C1	862760657	UEXLQVCFJOOUEU-ZDUSSCGKSA-N	290.363	1.575	10	20	CDCD	
CO[C@]1(CNCc2cc(C)c(C)cc2O)CCOC1	763479398	IQJICLZOUDNNTQ-HNNXBMFYSA-N	265.353	1.904	10	20	CDCD	
Cc1ccc(/C=C2\SC(=S)N(CC(N)=O)C2=O)nc1	761786039	MDEOJPGRLTWFMA-WTKPLQERSA-N	293.373	1.077	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CCC2(C1)OCCO2	779482861	HHSBWFWXUVYGLP-DUXPYHPUSA-N	291.303	1.086	10	20	CDCD	
CN(C(=O)CC(=O)NCC(F)(F)F)c1ccc(N)cc1	877076118	MKBKIIYPQWGFQM-UHFFFAOYSA-N	289.257	1.300	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNC[C@]2(C)CCCO2)c1O	775038511	TUYICBAQHNEJAK-AWEZNQCLSA-N	296.323	1.968	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)c1ccc([N+](=O)[O-])[nH]1	778922248	HSERUBCGNRWXTC-UHFFFAOYSA-N	277.236	1.264	10	20	CDCD	
CC[C@@H](SC)C(=O)NCc1cccc(O)c1O	1123978244	RUIDUFMFQDXYQO-SNVBAGLBSA-N	255.339	1.856	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1csnn1	773745017	YFYKEPWPSSPSCP-SSDOTTSWSA-N	279.321	1.310	10	20	CDCD	
C[C@H](NCCN1C[C@@H]2CC[C@H](C1)O2)c1ccccc1O	776008340	QPKKKIBSWHSUTO-MELADBBJSA-N	276.380	1.906	10	20	CDCD	
C[C@H](O)CCNCc1ccc(N2CCOCC2)cc1	78781995	LCOQFISFMZZXLQ-ZDUSSCGKSA-N	264.369	1.384	10	20	CDCD	
CCOc1cccc(CN2C[C@H](O)C[C@@]2(C)CO)c1O	895327946	FGVHGVYFYZYOIW-DOMZBBRYSA-N	281.352	1.109	10	20	CDCD	
COc1ccc(CNC(=O)c2noc(C)n2)c(O)c1	794762443	VGCHYIRBVWKQGX-UHFFFAOYSA-N	263.253	1.022	10	20	CDCD	
Cc1ccc(CN2C[C@@H](O)C[C@]2(C)CO)c(O)c1	895324454	KSTZPWGPKFIVHX-GXTWGEPZSA-N	251.326	1.018	10	20	CDCD	
COC[C@H](CO)NC1CCN(c2ccc(OC)cc2)CC1	793324913	OGGWSYLLROCBMU-AWEZNQCLSA-N	294.395	1.261	10	20	CDCD	
COC[C@@H](NC(=O)c1cc(O)cs1)[C@@H]1CCCO1	791043123	YVNARAQGKNFULY-ZJUUUORDSA-N	271.338	1.378	10	20	CDCD	
CCc1cccc(CN(C)[C@H](C)CS(C)(=O)=O)c1O	688551939	RWYGGZQCOYUDPX-LLVKDONJSA-N	285.409	1.820	10	20	CDCD	
COC[C@@H]1CN(Cc2cc(C)ccc2O)CCO1	93529312	LSBBDSNNJNIQHQ-ZDUSSCGKSA-N	251.326	1.548	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@@]2(F)CCOC2)c1	1261832023	ZSJUMXDSRLZLHK-CYBMUJFWSA-N	253.273	1.445	10	20	CDCD	
Cn1c(-c2sccc2O)nnc1N1CCC(CO)CC1	1355344619	NYFRHSGAOGZXMI-UHFFFAOYSA-N	294.380	1.458	10	20	CDCD	
CCS(=O)(=O)CCNCc1ccc(N2CCCC2)cc1	219459251	NPJFYGHLONHXGC-UHFFFAOYSA-N	296.436	1.811	10	20	CDCD	
C[C@H](N)[C@@H](C)NC(=O)NCc1cccc(Cl)c1O	1576104857	KESDUYQDNAECDH-JGVFFNPUSA-N	271.748	1.581	10	20	CDCD	
Oc1cc(F)c(Cl)cc1CN1CC2(CNC2)C1	1580888659	UMVJADQTEXXPDI-UHFFFAOYSA-N	256.708	1.590	10	20	CDCD	
COc1cc(C)cc(CNCC(C)(C)C(=O)O)c1O	1599391648	BQIKWXVONCKLAA-UHFFFAOYSA-N	267.325	1.910	10	20	CDCD	
C[C@@H]1C[C@@]1(C(=O)O)C(=O)NCc1cccc(Cl)c1O	1594228119	JDUCAEJVOKNBPG-UHLUBPPHSA-N	283.711	1.773	10	20	CDCD	
CO[C@H](CNCc1ccc2c(c1)CCO2)CC(=O)O	1777149072	WFPHDPKWCYXENR-LBPRGKRZSA-N	265.309	1.201	10	20	CDCD	
CC[C@@H](C)[C@H](N)C(=O)NCc1ccc(N(C)C)cc1	40825829	XWJCIWMZQUDNME-RISCZKNCSA-N	263.385	1.742	10	20	CDCD	
C[C@H](NC1CC1)C(=O)N(C)Cc1ccc(N(C)C)cc1	294878023	XEHNVYSSHCHYKI-LBPRGKRZSA-N	275.396	1.852	10	20	CDCD	
CNC(=O)C[C@@H](C)N[C@@H](C)c1ccc(F)cc1O	322515738	KDNBEFNCKLKMBN-BDAKNGLRSA-N	254.305	1.707	10	20	CDCD	
CNC(=O)C[C@@H](C)NCc1cc(F)cc(F)c1O	708388042	FUPWTQJUTSVJJU-SSDOTTSWSA-N	258.268	1.285	10	20	CDCD	
CC[C@H](N[C@@H]1COC[C@H]1OC)c1ccccc1O	842912693	UXTUDYDDUFUUPT-OUCADQQQSA-N	251.326	1.847	10	20	CDCD	
CN(C)c1ccc(CN[C@@H](CO)C[C@@H]2CCCO2)cc1	886231913	NEPJTBPZMCSOHH-ZBFHGGJFSA-N	278.396	1.772	10	20	CDCD	
Cc1cnc(C(=O)N2CCOc3cc(N(C)C)ccc32)cn1	173188271	CKXZTRRLJQJTJW-UHFFFAOYSA-N	298.346	1.890	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(C)(C)F	186405521	VUVHZQIMNBLAAR-MRVPVSSYSA-N	255.289	1.893	10	20	CDCD	
COc1ccc(O)c(CN2CCN[C@@H](C)[C@H]2C)c1	379448401	ZLMIFOCOXCFHPZ-WDEREUQCSA-N	250.342	1.583	10	20	CDCD	
CCOc1ccc(O)c(CN[C@H]2C(=O)NCC[C@H]2C)c1	193687557	SARGMFAFNGRNSK-QMTHXVAHSA-N	278.352	1.405	10	20	CDCD	
COc1cccc(CNc2cccc(-n3cnnn3)c2)c1O	237436719	MCTAXBCHKPXBLI-UHFFFAOYSA-N	297.318	1.989	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@H]2CCCC(=O)N2)cc1	270265934	ZBRYVWOZVAOLHX-CYBMUJFWSA-N	275.352	1.038	10	20	CDCD	
CN(C)c1ccc(CN[C@@H]2CCN(c3cnn(C)c3)C2)cc1	370905060	MZVDEAZNKLLFHJ-OAHLLOKOSA-N	299.422	1.855	10	20	CDCD	
CC[C@H](N[C@H](CO)COC)c1ccc(N(C)C)cc1	281159366	PBAKJNCROYIWDF-HIFRSBDPSA-N	266.385	1.801	10	20	CDCD	
CCOCC1(C(=O)NCc2ccc(O)c(O)c2)CC1	282104423	ZRQKADSRWRISHK-UHFFFAOYSA-N	265.309	1.531	10	20	CDCD	
COc1ccc(O)c([C@H](C)NCCN2CCCOCC2)c1	289491281	RRHAJBXRENABLG-ZDUSSCGKSA-N	294.395	1.774	10	20	CDCD	
NC(=O)C[C@H]1CCN(Cc2c(O)ccc3ccncc23)C1	808228786	NNWZKQFIFGSKBB-LLVKDONJSA-N	285.347	1.638	10	20	CDCD	
CCOc1ccc(CN(C)C[C@H](O)C2CC2)c(O)c1	809752177	OUZRXDFAEWBTHA-HNNXBMFYSA-N	265.353	1.994	10	20	CDCD	
Cc1cc(CN2CCOC[C@H]2CCO)ccc1N(C)C	815079054	LOSRNPBMBRXKOA-OAHLLOKOSA-N	278.396	1.644	10	20	CDCD	
O=C(N[C@H](CO)C1CCCC1)c1cc(O)cs1	812376474	UTWJFJKNIHRWFM-SNVBAGLBSA-N	255.339	1.735	10	20	CDCD	
COc1ccc(N2CC[C@H](CNC(=O)[C@H](C)OC)C2)cc1	819584008	YHOXYHYMMXBICH-QWHCGFSZSA-N	292.379	1.673	10	20	CDCD	
COc1cccc(CNC(=O)C(=O)c2ccc[nH]2)c1O	821228288	BPPDMXATPMWETE-UHFFFAOYSA-N	274.276	1.228	10	20	CDCD	
O=C1CC[C@H](C(=O)NCCCSc2nccs2)CN1	733972139	MFEKXLDAECAKBT-VIFPVBQESA-N	299.421	1.268	10	20	CDCD	
COc1cccc(C)c1C=C1C(=O)N(C)C(=O)N(C)C1=O	834398931	UQKIOFFUOPJQMW-UHFFFAOYSA-N	288.303	1.437	10	20	CDCD	
CCS(=O)(=O)C[C@@H](C)N(C)C(=O)c1cc(O)cs1	733365801	SNVJZDRIRVIVTA-MRVPVSSYSA-N	291.394	1.349	10	20	CDCD	
COC/C(C)=C\C(=O)NCc1ccc(O)cc1O	910944081	RBAJEZCEWGJYPT-UITAMQMPSA-N	251.282	1.307	10	20	CDCD	
CNC(=O)C[C@@H](C)N[C@H](C)c1cc(C(=O)OC)ccc1O	834898615	ABICIMYAIKHBJW-NXEZZACHSA-N	294.351	1.354	10	20	CDCD	
CN(C)CCCNC(=S)N(C)Cc1ccccc1O	917581670	PKFWJEIJUIRKBB-UHFFFAOYSA-N	281.425	1.650	10	20	CDCD	
CC1=C(C(=O)O)C[C@H](CN(C)c2ccc3c(c2)OCO3)O1	833579125	ANEZRCHTRXZPDA-LLVKDONJSA-N	291.303	1.999	10	20	CDCD	
CC1(CCNC(=O)NCCc2ccc(N)cc2)OCCO1	841878118	VBWOCBWATXNPSX-UHFFFAOYSA-N	293.367	1.264	10	20	CDCD	
CC(C)[C@](C)(O)CNC(=O)NCCc1ccc(N)cc1	841955206	VNGGGFKBZBFBBK-OAHLLOKOSA-N	279.384	1.518	10	20	CDCD	
COc1ccc(CNCC2(C(=O)O)CCOCC2)cc1C	843039223	OCXWZAAZFKZLAZ-UHFFFAOYSA-N	293.363	1.975	10	20	CDCD	
CC(C)C[C@@H](N)C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1	841846763	TYNKZAGSGWWKEU-HUUCEWRRSA-N	292.427	1.242	10	20	CDCD	
CN(Cc1nccn1C)c1ccc(OCC(=O)O)cc1	846279634	IMXCKUUTWZOBCJ-UHFFFAOYSA-N	275.308	1.520	10	20	CDCD	
C[C@@H](NC(=O)NC[C@@H]1COCO1)c1ccc(N(C)C)cc1	922053148	CSYLGIPUWLHWTR-BXUZGUMPSA-N	293.367	1.486	10	20	CDCD	
COC[C@@H]1COCCN1C(=O)Nc1ccc(N)cc1	926142029	HYSPFXKHLHZCDD-GFCCVEGCSA-N	265.313	1.148	10	20	CDCD	
C[C@@H](Nc1cnn(CCO)c1)c1ccc(F)cc1O	756856417	PIUNRBGUNPTGNY-SECBINFHSA-N	265.288	1.893	10	20	CDCD	
Oc1cccc(Cl)c1CNCCN1CC[C@H](O)C1	858338881	MYEAHKKPVVYOBD-JTQLQIEISA-N	270.760	1.202	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)C2(C(=O)O)CCC2)c1	852943682	XPJZMAQNYNRCJT-SECBINFHSA-N	293.319	1.833	10	20	CDCD	
Nc1ccc(CCNC(=O)N2CC[C@H]3C[C@@H]3C2)cc1	851665570	VTMKMWYJOCYGIT-QWHCGFSZSA-N	259.353	1.863	10	20	CDCD	
COC[C@@H](C)N[C@@H](C)c1cc(C(=O)OC)ccc1O	756340099	HXMPZZGZFVKHNI-ZJUUUORDSA-N	267.325	1.864	10	20	CDCD	
Cc1ccc([C@H](C)NC[C@H](O)CN(C)C)c(O)c1C	756554806	JEMUODOSNHXXPQ-STQMWFEESA-N	266.385	1.582	10	20	CDCD	
Cn1nccc1CCNC(=O)c1cc(O)cs1	762815701	PJPUEAJOISDJQR-UHFFFAOYSA-N	251.311	1.160	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@H](CC(C)C)C(N)=O)c1	862754624	HPDIYAPRWJSSIK-GFCCVEGCSA-N	278.352	1.464	10	20	CDCD	
CN1CCN(c2ccc(CNCC(F)(F)CO)cc2)CC1	767193652	ATYGCIOAGJDNHV-UHFFFAOYSA-N	299.365	1.156	10	20	CDCD	
CCOc1ccc(O)c(CN[C@H]2C[C@@H](C(=O)O)C2)c1	874046789	JYUXOGIQHGMRBH-JGZJWPJOSA-N	265.309	1.744	10	20	CDCD	
CCOCCONC(=O)N[C@@H](C)c1cc(OC)ccc1O	773517519	RUFHDTKSYDGUBX-JTQLQIEISA-N	298.339	1.729	10	20	CDCD	
O=C(N[C@@H]1CCO[C@]2(CCOC2)C1)c1cc(O)cs1	771419979	ULAXOFDSVPXUKS-NOZJJQNGSA-N	283.349	1.522	10	20	CDCD	
COC[C@@H]1CCCN(C(=O)NCc2ccc(N)cc2)C1	1120592277	UZQXYJJIRPVDOA-CYBMUJFWSA-N	277.368	1.837	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)NCCO[C@H]1CCOC1	885725198	UFLWBZPTMLBIFH-QQHVMHFCSA-N	293.319	1.033	10	20	CDCD	
CCOC(=O)[C@@H](C)NCc1ccc(OC)c(OC)c1O	893950481	JGCNYGFICVJADM-SECBINFHSA-N	283.324	1.451	10	20	CDCD	
CC1(C)CC[C@H](CO)N(C(=O)Cc2ccc(N)cc2)C1	701648434	QNQYNXHJUXCMLD-CQSZACIVSA-N	276.380	1.821	10	20	CDCD	
COc1cc(C)cc(CN2C[C@@H](O)[C@H](C)C2)c1O	897676766	XKZBATCOYWECQZ-ZYHUDNBSSA-N	251.326	1.522	10	20	CDCD	
Cc1ccc(C(=O)N(C)CCCN2CCCC2)c(O)c1O	799026281	GOPSRUAENNUHJI-UHFFFAOYSA-N	292.379	1.964	10	20	CDCD	
Oc1ccc(Cl)c(F)c1CN1CCn2ncnc2C1	792175435	UGETXDKERAVIGI-UHFFFAOYSA-N	282.706	1.792	10	20	CDCD	
Cn1cc(/C=C\C(=O)N2CCOCc3ccccc32)cn1	791875003	KZUNYECYLFFDKT-SREVYHEPSA-N	283.331	1.997	10	20	CDCD	
CCOC(=O)[C@@H](C[C@@H]1CCCO1)NCc1ccc(N)cc1	1336286220	PFSBDENOTKPYHL-LSDHHAIUSA-N	292.379	1.859	10	20	CDCD	
C[C@@H](N)[C@@H]1CCCCN1C(=O)NCc1ccc(N)cc1	1337020188	ZPHBSQIICFECHO-RISCZKNCSA-N	276.384	1.680	10	20	CDCD	
C[C@H]1CN(C(=O)NCc2ccc(N)cc2)[C@@H](C)CN1	1336290219	KCUWQIFZBHBZCU-QWRGUYRKSA-N	262.357	1.161	10	20	CDCD	
C[C@H](NCCOCCN(C)C)c1ccc(N(C)C)cc1	219313947	RTFSUPHSPDSQMM-AWEZNQCLSA-N	279.428	1.981	10	20	CDCD	
O=C(O)CC(=O)Nc1c(-c2ccccn2)nc2ccccn12	1601887921	HAQLOHDNUBDFGR-UHFFFAOYSA-N	296.286	1.810	10	20	CDCD	
Nc1c(NC(=O)c2cc(O)cs2)cccc1C(=O)O	1608271012	XNFQIKIMNDGJPL-UHFFFAOYSA-N	278.289	1.986	10	20	CDCD	
C[C@@](CCF)(NC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)O	1592494769	COOUQFROJOBSID-KQIUPUNMSA-N	297.282	1.430	10	20	CDCD	
CCN1CCCc2cc(CNC[C@@H](F)C(=O)O)ccc21	1776875618	XSUJFZQETFWIHZ-CYBMUJFWSA-N	280.343	1.971	10	20	CDCD	
C[C@@H](CNCc1cc([N+](=O)[O-])ccc1O)CC(=O)O	1776424922	SXWPISKBWMKNFP-MRVPVSSYSA-N	268.269	1.501	10	20	CDCD	
CCN(CC)S(=O)(=O)NCc1cccc(OC)c1O	161113088	UAXPMAJRDICQAN-UHFFFAOYSA-N	288.369	1.077	10	20	CDCD	
Cc1noc(C)c1S(=O)(=O)NCCc1ccc(N)cc1	32159088	BUJOBGKDIAORTJ-UHFFFAOYSA-N	295.364	1.395	10	20	CDCD	
CC(C)(CCNC(=O)c1cccc(O)c1O)C(=O)O	311456042	MYAAYBWRNNVVEO-UHFFFAOYSA-N	267.281	1.329	10	20	CDCD	
C[C@@H]1COCCN(Cc2cc3c(cc2O)OCO3)C1	370989986	AOPYJZGVRMQZNV-JTQLQIEISA-N	265.309	1.589	10	20	CDCD	
C[C@@H]1C[C@H](NC(=O)c2cccc(O)c2O)CS1	397873550	UKEXBTLRYIJHGN-SFYZADRCSA-N	253.323	1.722	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CC(OC(F)F)C1	399989754	OXIHEVHOQAVFDN-UHFFFAOYSA-N	259.208	1.161	10	20	CDCD	
Cn1ccc(C(=O)NCc2ccccc2O)cc1=O	225107422	IATTYYQUEQUYTG-UHFFFAOYSA-N	258.277	1.021	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CC(=O)O	50916804	KBNSWMVXEBHTLO-UHFFFAOYSA-N	250.298	1.186	10	20	CDCD	
COC[C@@H](C)NC(=O)NCc1ccc(N(C)C)cc1C	115780486	OWQWBXDEMIGCSY-GFCCVEGCSA-N	279.384	1.895	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2ccc(O)nc2)c1	114543804	PSPCNHGAKBWDTK-UHFFFAOYSA-N	274.276	1.431	10	20	CDCD	
CCN1CCO[C@H](C(=O)N(C)Cc2ccccc2O)C1	177077267	SBDGFEDSXAAAND-AWEZNQCLSA-N	278.352	1.071	10	20	CDCD	
COc1cccc(CNC[C@](C)(O)C(C)C)c1O	304059971	OHIYRCZWMGXRMR-AWEZNQCLSA-N	253.342	1.897	10	20	CDCD	
COc1cc(O)c(CN2CC[C@@](C)(O)C2)cc1OC	180634238	OKRCYRHCTOHPMZ-CQSZACIVSA-N	267.325	1.366	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2O)c(O)c1O	182841235	YBYWOPUNLVCUTP-GHMZBOCLSA-N	265.309	1.440	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2cnc(S)[nH]2)cc1	186792007	OLAHTJAYMVENAB-UHFFFAOYSA-N	276.365	1.694	10	20	CDCD	
O=C1N=C(S)S/C1=C/c1ccc(O)c(C(=O)O)c1	80690974	XOZKDODMNCRIEP-XBXARRHUSA-N	281.314	1.991	10	20	CDCD	
CCCOc1ccc(CN2CCNC(=O)CC2)c(O)c1	93101820	CADPAGXWLOFIFK-UHFFFAOYSA-N	278.352	1.503	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)[C@H](C)CNC	236732976	PZMGAGITEGWBRV-GFCCVEGCSA-N	264.369	1.986	10	20	CDCD	
CN(C)c1ccc(CN2CCC(NC(N)=O)CC2)cc1	93050970	OJTCXLPVUJNWPB-UHFFFAOYSA-N	276.384	1.385	10	20	CDCD	
COC(=O)[C@H]1CN(Cc2cc(C)c(C)cc2O)C[C@@H](C)O1	92013390	XJVOBBNGLAZIMN-IUODEOHRSA-N	293.363	1.771	10	20	CDCD	
CC(C)[C@H]1OCC[C@H]1CNC(=O)Cc1ccc(N)cc1	262607624	CDBOFVDTLDMIKF-XJKSGUPXSA-N	276.380	1.989	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CC[C@@](O)(C2CC2)C1	365925585	JCOHOCVZOLYCJE-AWEZNQCLSA-N	263.293	1.085	10	20	CDCD	
COc1cc(O)c(CN[C@@]2(CCO)CCOC2)cc1OC	278703697	NXHIGCAAFSWGPU-HNNXBMFYSA-N	297.351	1.041	10	20	CDCD	
COC[C@H](CCO)N[C@@H](C)c1ccc(F)c(F)c1O	276988431	XCRDUVJADNAJFA-IUCAKERBSA-N	275.295	1.718	10	20	CDCD	
CCOc1cccc(CN2C[C@@H](O)[C@@H](CC)C2)c1O	271265161	IEENQVKFWGZWJY-WCQYABFASA-N	265.353	1.994	10	20	CDCD	
CCOC(=O)[C@](C)(O)CN(C)c1ccc(OC)cc1OC	274223677	RVMRYSQXNUACNL-OAHLLOKOSA-N	297.351	1.454	10	20	CDCD	
C[C@@H]1OCC[C@]12CN(Cc1cc(F)ccc1O)CCO2	377274167	WMDXVXKXJLEZRS-NHYWBVRUSA-N	281.327	1.911	10	20	CDCD	
CN(C)[C@@H]1CCCN(C(=O)c2c(F)ccc(O)c2O)CC1	296939054	XLTLSAKGKGRYLW-SNVBAGLBSA-N	296.342	1.793	10	20	CDCD	
O=C(N[C@@H]1CCCOCC1)c1c(F)ccc(O)c1O	294964351	LFGPEVVAWYHDAD-MRVPVSSYSA-N	269.272	1.536	10	20	CDCD	
COCC[C@@H](C)NC(=O)c1c(F)ccc(O)c1O	295402248	ZOMCYXZDCLXVFC-SSDOTTSWSA-N	257.261	1.392	10	20	CDCD	
CN(C)c1ccc([C@H](N)CN[C@H]2CCCC[C@@H]2CN)cc1	817939796	CDCYIEKGSPRWFD-OIISXLGYSA-N	290.455	1.860	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@H]2C[C@H](C)CCN2)c1	817996828	LZYGKGCFBLPGAH-UHIISALHSA-N	292.379	1.966	10	20	CDCD	
COC(=O)COc1ccc(N(C)CC[S@](C)=O)cc1	828791903	YFIYDVGXPVCLIP-IBGZPJMESA-N	285.365	1.053	10	20	CDCD	
CN(C)c1ccc([C@H](N)CNC[C@@H](N)CC(F)F)cc1	903917931	OVUYXWUEIIBBFP-WCQYABFASA-N	286.370	1.325	10	20	CDCD	
CCc1nocc1C(=O)NCCc1ccc(O)c(O)c1	830530946	BDHNMNUINAPWDU-UHFFFAOYSA-N	276.292	1.621	10	20	CDCD	
COC[C@H]1CCCN(C(=O)/C=C\c2ccc(O)c(O)c2)C1	588404637	KYCMKASGRUEGFB-VGVVRCBHSA-N	291.347	1.996	10	20	CDCD	
COC(=O)[C@H]1C[C@H](C)CCN1C(=O)c1cc(O)cs1	832417180	DEJGBRCEUBCQKJ-PSASIEDQSA-N	283.349	1.867	10	20	CDCD	
O=C(c1c(F)ccc(O)c1O)N1CCC[C@@H]2C[C@H]21	831818725	OEJZYVTVGAOOMA-VXNVDRBHSA-N	251.257	1.861	10	20	CDCD	
Cc1cnc(CCNC(=O)c2cc(O)cs2)cn1	839793655	WLJCMUYHBFVWDL-UHFFFAOYSA-N	263.322	1.525	10	20	CDCD	
CN(C)c1ccc(CNc2nccn3nnnc23)cc1	747819599	XIHNBFGEGONHKY-UHFFFAOYSA-N	269.312	1.197	10	20	CDCD	
CN(C)c1ccc(CNC[C@@H](N)C2CC2)cc1F	841049298	JMPQMLYIJAAJOI-CYBMUJFWSA-N	251.349	1.719	10	20	CDCD	
O=C(c1cc(O)cs1)N1CC[C@@H](CN2CCOCC2)C1	743706550	XOSNGYLTKXDGCB-NSHDSACASA-N	296.392	1.248	10	20	CDCD	
CCCCOCCCNC(=O)C(=O)Nc1ccc(N)cc1	840999734	OJBQKQUAOUOQPI-UHFFFAOYSA-N	293.367	1.530	10	20	CDCD	
CCn1nncc1CNCc1ccc(N(C)C)c(F)c1	841858881	DVZZUHINTBJKGY-UHFFFAOYSA-N	277.347	1.793	10	20	CDCD	
CCc1cccc(CNC[C@H](O)C2CCOCC2)c1O	848897565	SCTHJXGUTGJVIG-HNNXBMFYSA-N	279.380	1.832	10	20	CDCD	
C[C@]1(C(=O)NCc2ccc(O)cc2O)CCOC1	910949935	QWSIQOSFXGBKIB-ZDUSSCGKSA-N	251.282	1.141	10	20	CDCD	
C[C@@H](N)[C@@H]1CN(Cc2cccc(Cl)c2O)CCO1	843058303	RGCFOIRCBQDPAT-SKDRFNHKSA-N	270.760	1.594	10	20	CDCD	
COCCN1CN(Cc2ccc(N(C)C)cc2C)CC1=O	840943411	RZHHLFSFULUEHQ-UHFFFAOYSA-N	291.395	1.309	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CC3CC2(C(=O)O)C3)c1O	849344214	FEHAUSCZCOPJHQ-UHFFFAOYSA-N	293.294	1.783	10	20	CDCD	
CCc1cccc(CN2CC(=O)N(C3CC3)C2)c1O	848907661	GQENHUOHKHQVTK-UHFFFAOYSA-N	260.337	1.719	10	20	CDCD	
Cc1noc(CNC(=O)NCc2cc(Cl)ccc2O)n1	844948625	NRUNNSSBEIOJPA-UHFFFAOYSA-N	296.714	1.736	10	20	CDCD	
COC(=O)[C@@H]1CN(Cc2cc(C)cc(OC)c2O)C[C@H]1C	754739159	KIKQTGNPGGHXBI-DGCLKSJQSA-N	293.363	1.950	10	20	CDCD	
C[C@H](CC(N)=O)N[C@H](C)c1cc([N+](=O)[O-])ccc1O	756660756	OXHBFBGOVGKJIK-HTQZYQBOSA-N	267.285	1.215	10	20	CDCD	
C[C@@H]1OCC[C@]1(C)NC(=O)/C=C/c1ccc(O)c(O)c1	753051835	JZEKRXWQIIKLRV-AVXFGIFZSA-N	277.320	1.795	10	20	CDCD	
C[C@H]1COC[C@@H]1NCc1ccc(N2CCOCC2)c(F)c1	922640530	GPXZTHVGDSMYRY-WFASDCNBSA-N	294.370	1.787	10	20	CDCD	
Cn1nnc2cc(/C=C3/SC(=S)NC3=O)ccc21	751029205	AKCDBIHZZJMEKO-WEVVVXLNSA-N	276.346	1.457	10	20	CDCD	
COc1ccc(O)c(CN(C)CC2(C)COC2)c1	862476492	BBPXROAHKUMBCC-UHFFFAOYSA-N	251.326	1.869	10	20	CDCD	
COc1cccc(O)c1CN1CCN(C(=O)N(C)C)CC1	768299303	KLLGWCVEEKAUNB-UHFFFAOYSA-N	293.367	1.200	10	20	CDCD	
C[C@@H](NC(=O)c1nccnc1N)c1ccc(N(C)C)cc1	775402227	BSBLGQRYQQMQNW-SNVBAGLBSA-N	285.351	1.616	10	20	CDCD	
CCCCNC(=O)COC(=O)/C=C/c1ccc(O)c(O)c1	772774687	JVRRETVNYOPDQX-FNORWQNLSA-N	293.319	1.571	10	20	CDCD	
CN1CCN(c2ccc(CNCc3ccon3)cc2)CC1	771845220	ZXEVLUMGVHCMPP-UHFFFAOYSA-N	286.379	1.716	10	20	CDCD	
CN(C)c1ccc(CNS(=O)(=O)C2CCC2)cc1F	881842457	XGHREKFEVRAXAU-UHFFFAOYSA-N	286.372	1.864	10	20	CDCD	
COc1ccc(CNCC2=CCCOC2)c(O)c1OC	894513827	OYTSBNOARLGSGM-UHFFFAOYSA-N	279.336	1.846	10	20	CDCD	
O=C(NC[C@@H](O)c1ccsc1)c1c(F)ccc(O)c1O	789994802	CZYJCXDMCWBTKF-SNVBAGLBSA-N	297.307	1.762	10	20	CDCD	
COCCO[C@H]1CCN(Cc2cc(C)ccc2O)C1	188826610	LVWODWWNTBZEOP-AWEZNQCLSA-N	265.353	1.938	10	20	CDCD	
COc1cccc(O)c1CN1C[C@@H](C)O[C@@]2(CCOC2)C1	793363705	VELOZZLILZEFFW-WBMJQRKESA-N	293.363	1.781	10	20	CDCD	
C[C@H](NC(=O)c1cccc(O)c1O)C(=O)OC1CCCC1	790857691	NWXJCTYQSCEIMQ-VIFPVBQESA-N	293.319	1.702	10	20	CDCD	
COc1cc(C)nc(NCCc2ccc(O)c(O)c2)n1	749287167	FQXISNQEXFSIRN-UHFFFAOYSA-N	275.308	1.859	10	20	CDCD	
COc1ccc(CNC(=O)CNC(=O)C(C)(C)C)c(O)c1	794377238	PRLYMDUDFLXBMF-UHFFFAOYSA-N	294.351	1.179	10	20	CDCD	
O=C(Nc1c(Cl)ccc2nonc12)[C@@H]1CCOC1	1320947422	XWRLUYYNHJCLMF-ZCFIWIBFSA-N	267.672	1.851	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)C(=O)N2CCC2)cc1	1257177854	YCFPVFFRYNIRNB-UHFFFAOYSA-N	289.379	1.381	10	20	CDCD	
CCOC[C@@H](NCc1ccc2c(c1)CCCO2)C(=O)O	1335615801	KXVOOQNIWWCSEE-CYBMUJFWSA-N	279.336	1.591	10	20	CDCD	
Cc1ccc(C(=O)NCCc2nccn2C)c(O)c1O	1263918724	QTLJHXWNPOMVPY-UHFFFAOYSA-N	275.308	1.112	10	20	CDCD	
CN(C(=O)[C@H]1CCc2cncn2C1)c1ccc(N)cc1	1522215812	GQWYKJNGIAVEOX-NSHDSACASA-N	270.336	1.691	10	20	CDCD	
O=C(O)CC(=O)NCc1ccc(N2CCSCC2)cc1	1601887882	DIPYKRKYRPRMQC-UHFFFAOYSA-N	294.376	1.331	10	20	CDCD	
C[C@@H]1[C@H](C(=O)O)CCN1Cc1cc2c(cc1O)OC[C@H]2O	1604638152	VAFRBKPOMFBJON-ZDSQKVDBSA-N	293.319	1.113	10	20	CDCD	
CCOc1cccc(CN[C@@H]2CCO[C@@H]2C(=O)O)c1O	1605708062	XXADAHAVSCYEGA-MFKMUULPSA-N	281.308	1.123	10	20	CDCD	
CC(C)(N)CN(CC(=O)O)Cc1cc(Cl)ccc1O	1603669270	URNSLFPUCLFKJO-UHFFFAOYSA-N	286.759	1.670	10	20	CDCD	
CO[C@@H](C)CN[C@H](C)c1cccc(-c2nn[nH]n2)c1O	1591467721	VVPOUVHJXLLDCS-DTWKUNHWSA-N	277.328	1.258	10	20	CDCD	
COc1cccc(CNC(=O)C2(CC(=O)O)CCC2)c1O	1594128043	CCMTZCKMIZCIRG-UHFFFAOYSA-N	293.319	1.662	10	20	CDCD	
CO[C@H]1CN(Cc2ccc(N(C)C)cc2)CC[C@@H]1C(=O)O	1777173143	RNXVLWKIQBELNE-GJZGRUSLSA-N	292.379	1.674	10	20	CDCD	
NC(=O)c1ccc(NC(=O)Cc2ccc(N)cc2)cc1	19395047	WSIKEHRXISPQRS-UHFFFAOYSA-N	269.304	1.549	10	20	CDCD	
COCc1nc(C(=O)NCc2ccc(O)c(O)c2)cs1	159019728	NQARKXYVBYTGDD-UHFFFAOYSA-N	294.332	1.631	10	20	CDCD	
C[C@@H](C[S@](C)=O)NCc1ccc2c(c1)CCCO2	921988531	FFTPTWPPAJRYSM-VOJFVSQTSA-N	267.394	1.868	10	20	CDCD	
COC(=O)C1CCN(C(=O)Cc2ccc(N)cc2)CC1	40222743	WGDLXBOGNUAFCJ-UHFFFAOYSA-N	276.336	1.223	10	20	CDCD	
CN(Cc1cnn(C)c1)C(=O)Cc1ccc(N)cc1	37800729	GNKHBLBSQIWWCC-UHFFFAOYSA-N	258.325	1.203	10	20	CDCD	
O=C1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(O)c1O	291748361	UCCXOJQYLIWNGN-DTORHVGOSA-N	261.277	1.434	10	20	CDCD	
CCCN(CC(=O)NC)Cc1cc(F)cc(F)c1O	708411428	AHOBKKZZQYUPCM-UHFFFAOYSA-N	272.295	1.628	10	20	CDCD	
COc1cccc(CN2C[C@H](C)C[C@@H](C(=O)O)C2)c1O	399011525	RPRRUHRAPSFDMR-ZYHUDNBSSA-N	279.336	1.943	10	20	CDCD	
COc1ccc(N(C)C[C@H](O)Cn2cccn2)cc1F	177069997	FVAIBIGHFVNNKQ-LBPRGKRZSA-N	279.315	1.528	10	20	CDCD	
CCOc1ccc(O)c(CN2CCCN(C(C)=O)CC2)c1	179815848	NBKOBQISMCGXEZ-UHFFFAOYSA-N	292.379	1.845	10	20	CDCD	
O=S1(=O)CC[C@H](N(Cc2cc(F)ccc2O)C2CC2)C1	179935474	VOGIWJFHINJVKO-ZDUSSCGKSA-N	299.367	1.683	10	20	CDCD	
COc1ccc(N2CCC(NC(=O)[C@H](C)OC)CC2)cc1	171018322	RFGOYSPCSPSNPN-LBPRGKRZSA-N	292.379	1.815	10	20	CDCD	
COC(=O)N1CC(N[C@H](C)c2ccc(N(C)C)cc2)C1	181468635	MEORGDDBQMVMBA-LLVKDONJSA-N	277.368	1.854	10	20	CDCD	
C[C@H]1CN(C(=O)c2cccc(O)c2O)CCCO1	126394449	IFPRMUNHUNKBRP-VIFPVBQESA-N	251.282	1.349	10	20	CDCD	
COc1cccc(CN(C)C[C@@H]2CCCN2C)c1O	211639723	WOEUHVVZZSFXLZ-ZDUSSCGKSA-N	264.369	1.927	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)Nc1ccncn1	194116081	KGOQYVIGJDKXBH-UHFFFAOYSA-N	274.280	1.252	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CCc2ccncn2)cc1	192306693	URAPQVGZLOHENL-UHFFFAOYSA-N	284.363	1.792	10	20	CDCD	
C[C@H](NC[C@@H]1COCCN1)c1cc2c(cc1O)CCCC2	530221017	BUPCVIMVZIYDAK-SWLSCSKDSA-N	290.407	1.910	10	20	CDCD	
COCCOCCS(=O)(=O)Nc1ccc(O)cc1C	269998873	XLLANWIYCNYAQZ-UHFFFAOYSA-N	289.353	1.105	10	20	CDCD	
COC[C@H](NCc1cc2c(cc1O)OCO2)[C@H]1CCCO1	278784940	ZQBGMNAXIKVBSP-WCQYABFASA-N	295.335	1.405	10	20	CDCD	
COc1cccc(CNC(=O)[C@H]2C[C@@]23CCOC3)c1O	373399631	ROOQVMSQOLWHIP-IAQYHMDHSA-N	277.320	1.444	10	20	CDCD	
COCC1(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)CCC1	285732135	GOBREYAVMRKIRS-LLVKDONJSA-N	293.363	1.962	10	20	CDCD	
Cn1cncc1C(=O)NCc1c(O)ccc2c1CCCC2	289738014	QAXQFCIBCXGDNV-UHFFFAOYSA-N	285.347	1.935	10	20	CDCD	
Cc1nn(C(C)C)cc1C=C1C(=O)N(C)C(=O)N(C)C1=O	281044211	PUERURLZKXDUAA-UHFFFAOYSA-N	290.323	1.206	10	20	CDCD	
CN1CCCN(C(=O)C2=CC[C@@H](N)C2)c2ccccc21	638117844	PEDMLDUXBNXXIR-CYBMUJFWSA-N	271.364	1.907	10	20	CDCD	
C[C@H](CCN(C)C)NC(=O)N(C)Cc1ccccc1O	299345847	GQDUJHVOUCUYPH-GFCCVEGCSA-N	279.384	1.874	10	20	CDCD	
Cc1noc(NC(=O)NCc2ccc(N(C)C)c(F)c2)n1	296917356	TWCWZLYLWTZNLF-UHFFFAOYSA-N	293.302	1.905	10	20	CDCD	
CCC[C@H](OC)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	295683056	HKAKLDLRNNKCPT-HZMBPMFUSA-N	281.352	1.960	10	20	CDCD	
Cc1cc(CN2CCN(C)C(=O)C2)ccc1N(C)C	293085248	MSZLPFIACOFHSU-UHFFFAOYSA-N	261.369	1.335	10	20	CDCD	
O=C(N[C@H]1COc2ccccc2[C@H]1O)c1cc(O)cs1	811575633	NVNSOTCEHGAGKX-GXFFZTMASA-N	291.328	1.678	10	20	CDCD	
C[C@H](NC[C@H](N)C1CC1)c1cc([N+](=O)[O-])ccc1O	817964501	AQHPGRNGWOUSDV-UFBFGSQYSA-N	265.313	1.688	10	20	CDCD	
CCCN1C[C@H](CNCc2cccc(OC)c2O)CC1=O	817411034	LLAYRPDVRXBJAS-LBPRGKRZSA-N	292.379	1.749	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)c1ccc2oc(O)nc2n1	816889073	LSPVFXKHOCTOEN-UHFFFAOYSA-N	299.286	1.906	10	20	CDCD	
C[C@@H](NC[C@@H](N)c1ccc(N(C)C)cc1)[C@@H]1CCCN1	817942976	SGSPMQDMOTWIIR-WQVCFCJDSA-N	276.428	1.483	10	20	CDCD	
C[C@H](O)C(=O)NCc1cc(Cl)cc(Cl)c1O	813684696	UPUCOXJTVKPYFW-YFKPBYRVSA-N	264.108	1.696	10	20	CDCD	
C[C@H](O)CN(Cc1cc(F)ccc1O)CC(F)F	825099106	UULRYZZKDWZNRC-QMMMGPOBSA-N	263.259	1.979	10	20	CDCD	
CCOc1ccc(CNC[C@H]2CCOC[C@@H]2OC)c(O)c1	824709550	RBCRTOASPLKSHX-CJNGLKHVSA-N	295.379	1.932	10	20	CDCD	
CN(CC[S@](C)=O)Cc1ccc(N2CCOCC2)cc1	827336703	LMQQUIKMJLPYSD-FQEVSTJZSA-N	296.436	1.334	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)N[C@@H]2CC[C@H]2O)cc1	824210348	BVZAZJIRCCHRAX-HUUCEWRRSA-N	291.395	1.855	10	20	CDCD	
CNC(=O)C1CCN(C(=O)c2cc(O)cs2)CC1	732262864	HGSSZUGIBXDGHR-UHFFFAOYSA-N	268.338	1.052	10	20	CDCD	
CN(C)c1ccc(CNC(=O)O[C@@H]2CCOC2)cc1F	914013970	IPWDDPYVGVPAJM-LLVKDONJSA-N	282.315	1.907	10	20	CDCD	
CN1CCN(c2ccc(CN3CC[C@H](CN)C3)cc2)CC1	843048384	OPPBVWFWDVBHQR-MRXNPFEDSA-N	288.439	1.219	10	20	CDCD	
C[C@@H]1C[C@@H](C)[C@H](C(=O)NCc2ccc(O)cc2O)O1	910946534	OYJLHKDCKOSVRK-JRKPZEMJSA-N	265.309	1.528	10	20	CDCD	
COc1ccc(N(C)CCN(C)C(=O)CCC(=O)O)cc1	846717974	UGQGBEJYNPNXGB-UHFFFAOYSA-N	294.351	1.455	10	20	CDCD	
CCO/C=C\C(=O)NCc1cc(OC)ccc1O	847591545	WMIYLNYOYVZKNZ-SREVYHEPSA-N	251.282	1.567	10	20	CDCD	
CNC[C@H]1CCCN1Cc1ccc([N+](=O)[O-])c(OC)c1O	843056340	YLHXZPRFVVHPHH-LLVKDONJSA-N	295.339	1.493	10	20	CDCD	
COc1cccc([C@@H](C)N[C@H](C)C(=O)NCCF)c1O	846168310	RYIVIIWDWSDJKM-NXEZZACHSA-N	284.331	1.526	10	20	CDCD	
CN(C)c1ccc(CN2CC[C@H](O)[C@@H](CO)C2)cc1F	840974691	FGFGZZGJFWSMFH-DOMZBBRYSA-N	282.359	1.067	10	20	CDCD	
CCOc1ccc(O)c(CN2CC[C@@H]([C@@H](C)N)C2)c1	843057542	JNURRONSTUCQRI-VXGBXAGGSA-N	264.369	1.960	10	20	CDCD	
CCCNC(=O)NCc1ccc(N2CCC(O)CC2)cc1	851924379	ZOPHMYUXJXVJHO-UHFFFAOYSA-N	291.395	1.857	10	20	CDCD	
O=C(O)[C@@H](C(=O)NCc1ccccc1O)C1CCCC1	852942767	MSYMUQQDRXSDRG-CYBMUJFWSA-N	277.320	1.899	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2NCCC2(C)C)c1	852885119	NFWKYTCSNIMRHS-HZMBPMFUSA-N	292.379	1.966	10	20	CDCD	
CCCN(CC(=O)NC)Cc1cc(OC)ccc1O	133293134	KNOLHDIQDNBYIJ-UHFFFAOYSA-N	266.341	1.359	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@@H]2CCC[C@@H](C(N)=O)C2)c1	862756943	BDUFQFWLGKENQH-VXGBXAGGSA-N	290.363	1.609	10	20	CDCD	
COCc1nocc1C(=O)NCCc1ccc(O)c(O)c1	1117669371	INRSQTKBRITMCX-UHFFFAOYSA-N	292.291	1.205	10	20	CDCD	
NC(=O)COC1CCN(Cc2cccc(Cl)c2O)CC1	1116471900	KXFVXQNPAOUDLQ-UHFFFAOYSA-N	298.770	1.512	10	20	CDCD	
C[C@@H]1C[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2)CCO1	779547819	NQNMNWUXQGPYHZ-VSEZHWFZSA-N	277.320	1.795	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)NCc1cccnn1	775031184	CRFLHFMRVLKSHO-UHFFFAOYSA-N	272.308	1.524	10	20	CDCD	
CC(=O)c1cc(F)cc(CN[C@@H]2C[C@H](N)C2(C)C)c1O	883442787	SPOYFGLADNCGIF-QWHCGFSZSA-N	280.343	1.949	10	20	CDCD	
CC(C)C[C@@H](O)CNC(=O)/C=C/c1ccc(O)c(O)c1	779485705	MOZUKJAAGQYVLR-FVOPLDGLSA-N	279.336	1.634	10	20	CDCD	
CCC[C@@H](NC(=O)Cc1ccc(N)cc1)C(=O)OC	1122290306	FOYLWESBKXAAOQ-GFCCVEGCSA-N	264.325	1.269	10	20	CDCD	
O=C(COC(=O)[C@@H]1CCC=CO1)c1ccc(O)c(O)c1	787033084	JKLZRPUZNHSVOP-ZDUSSCGKSA-N	278.260	1.516	10	20	CDCD	
CCN(CC)C(=O)CNCc1cc(C)cc(OC)c1O	894206009	BMPIGULSAWDHPO-UHFFFAOYSA-N	280.368	1.667	10	20	CDCD	
Cc1ccc(C(=O)O[C@H](C)CN2CCOCC2)c(O)c1O	782264751	IPIVMLGMORNXJW-LLVKDONJSA-N	295.335	1.284	10	20	CDCD	
COCCN1CC[C@@H](NCc2cc(F)ccc2O)C1	272395332	JLJZEZZRZCNSGJ-CYBMUJFWSA-N	268.332	1.342	10	20	CDCD	
COC[C@@H](CO)N[C@H](C)c1cc(Cl)ccc1O	794839099	YRAXGWCPHAVCAY-PSASIEDQSA-N	259.733	1.704	10	20	CDCD	
Cc1ccc(O)c([C@H](C)N[C@@H]2CCOC[C@H]2O)c1	706723030	ZBNSNFDHMSBWBF-ZKYQVNSYSA-N	251.326	1.501	10	20	CDCD	
COC(=O)[C@@H](C)N(C)C(=O)/C=C\c1ccc(O)c(O)c1	794132112	DBKXYYHDWGSVOD-WILPJHFFSA-N	279.292	1.131	10	20	CDCD	
O=C(NC[C@@H](O)c1ccco1)c1cccc(O)c1O	790529442	DMIQHURQKWTOFI-SNVBAGLBSA-N	263.249	1.154	10	20	CDCD	
COc1cccc(O)c1CN1CC[C@](O)(C2CC2)C1	1320915270	CVZSHHJVIUCLNF-OAHLLOKOSA-N	263.337	1.748	10	20	CDCD	
O=C(Nc1c(Cl)ccc2nonc12)c1cnccn1	1320979101	YUINSYLTHYHGMT-UHFFFAOYSA-N	275.655	1.919	10	20	CDCD	
Cc1ccc([C@H](C)NCCC(=O)NCCC(=O)O)c(O)c1	1600371887	HRRIPUVDOYYYRC-NSHDSACASA-N	294.351	1.332	10	20	CDCD	
C[C@H]1CN(C(=O)c2cc(O)cs2)CC[C@@H]1C(=O)O	1603453881	NDKMLSKJIYIKLT-CBAPKCEASA-N	269.322	1.637	10	20	CDCD	
COc1ccc(CNCCC(C)(C)C(=O)O)c(O)c1	1610335814	NCZZHFWIMOUSMX-UHFFFAOYSA-N	267.325	1.991	10	20	CDCD	
CCCNCCNC(=O)NCc1cccc(Cl)c1O	1577558892	ZNXPTVVREUZADU-UHFFFAOYSA-N	285.775	1.844	10	20	CDCD	
COC[C@@](C)(CC(=O)O)NCc1cc(C)ccc1O	1599150067	ZRNVUKZBSSLKQN-CQSZACIVSA-N	267.325	1.670	10	20	CDCD	
COCCNC1CCN(c2ccc(OC)cc2)CC1	152118104	GDSSQJIGRVVWQL-UHFFFAOYSA-N	264.369	1.900	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)c2cc(C)ncn2)c1	153874735	ZCAXWAQEWYXMQT-JTQLQIEISA-N	287.319	1.990	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N2CC[C@@H](CN)C2)cc1	841652778	GAWAKTAYSHQTAS-ZDUSSCGKSA-N	276.384	1.243	10	20	CDCD	
Nc1ccc(OCc2cn([C@H]3CCC[C@H]3O)nn2)cc1	864621573	PVNWUMGXGAGFOY-UONOGXRCSA-N	274.324	1.525	10	20	CDCD	
Cc1ccc(CN(C)[C@@H]2CCC(=O)N(C)C2)c(O)c1	877648354	FCBJTRAMMMGHHC-CYBMUJFWSA-N	262.353	1.753	10	20	CDCD	
Cc1ccc(O)c([C@@H](C)N[C@H]2CCN(S(C)(=O)=O)C2)c1	400218472	WDCXXSPEZJINCP-NEPJUHHUSA-N	298.408	1.385	10	20	CDCD	
CC1(C)[C@@H](O)C[C@H]1NCc1cc(F)cc(F)c1O	708435059	AUJUECXJHQQPSH-MNOVXSKESA-N	257.280	1.919	10	20	CDCD	
OC[C@@H](CC(F)F)NCc1ccc2c(c1)CCO2	717745422	QIVPMWGGUWRPDN-LLVKDONJSA-N	257.280	1.727	10	20	CDCD	
Cc1ccc(C(=O)NCCCn2cccn2)c(O)c1O	177670792	DWIWCCMHPAVOKL-UHFFFAOYSA-N	275.308	1.423	10	20	CDCD	
C[C@H](NC(=O)N1CCC1)c1ccc(N2CCOCC2)cc1	68548977	RRPNAONIMJPJSS-ZDUSSCGKSA-N	289.379	2.000	10	20	CDCD	
Nc1nc(N)nc(COc2ccc(N3CCCC3)cc2)n1	178193088	CBVDHAXXWNKHLS-UHFFFAOYSA-N	286.339	1.215	10	20	CDCD	
COc1ccc(N(C)Cc2nnc(C)n2C)cc1F	121750074	DXPGBBFEULICBT-UHFFFAOYSA-N	264.304	1.908	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)NC1CC1	172039527	OUDSXAAWAZKGJA-UHFFFAOYSA-N	276.336	1.409	10	20	CDCD	
CCN(C)C(=O)CNCc1ccc(N2CCOCC2)cc1	185177438	ZORZGLMQOBWCOC-UHFFFAOYSA-N	291.395	1.091	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)C1=CCOCC1	184462746	HDLJGYGRQLYWNV-UHFFFAOYSA-N	288.347	1.825	10	20	CDCD	
O=C(Nn1cnc2ccccc21)c1cccc(O)c1O	186797780	ARPFXNZCVHJRBJ-UHFFFAOYSA-N	269.260	1.831	10	20	CDCD	
O=C(O)[C@H]1CN(Cc2cc(Cl)ccc2O)CCO1	86804762	XNGNPHZJWHRHRN-LLVKDONJSA-N	271.700	1.331	10	20	CDCD	
Cc1cc(CC(=O)NCCc2ccc(N)cc2)n[nH]1	237594414	OSSSLXBORFTRNZ-UHFFFAOYSA-N	258.325	1.202	10	20	CDCD	
C[C@@H]1[C@@H](C)[S@@](=O)CCN1Cc1cc2c(cc1O)OCO2	265625635	OHNCEXLXYUDQNC-ZLMDCXFVSA-N	297.376	1.462	10	20	CDCD	
O=[N+]([O-])c1ccc(O)c(CNCC2=CCCOC2)c1	269283207	LHHLPRHTCQFUCV-UHFFFAOYSA-N	264.281	1.737	10	20	CDCD	
Cc1ccc(C(=O)N[C@H](C)CO[C@H]2CCOC2)c(O)c1O	272719845	HBYOQHCKZYUEFR-MNOVXSKESA-N	295.335	1.330	10	20	CDCD	
O=C(c1ccccn1)N1CCN(Cc2ccccc2O)CC1	272231732	DYACVPHBUIXBCA-UHFFFAOYSA-N	297.358	1.745	10	20	CDCD	
CN(C)c1ccc(CN2CCC3(CC2)CNC(=O)C3)cc1	271165543	FXFYJWMERRYWLY-UHFFFAOYSA-N	287.407	1.855	10	20	CDCD	
COC(=O)[C@]1(F)CCN(Cc2ccccc2O)C1	271254594	GKYPSDYLQNAMMY-ZDUSSCGKSA-N	253.273	1.479	10	20	CDCD	
CC(=O)C(=O)COC(=O)[C@H]1COc2ccc(Cl)cc2C1	808491088	MBFNUJZNXMVHAD-SNVBAGLBSA-N	296.706	1.592	10	20	CDCD	
Cn1cc(C(=O)NCCCSc2nccs2)nn1	809679684	HEXZFCHJBHXSDI-UHFFFAOYSA-N	283.382	1.184	10	20	CDCD	
CC(C)[C@H](O)C(=O)NCc1ccc(N2CCCC2)cc1	291499759	OXIOKCYJYQLIMC-HNNXBMFYSA-N	276.380	1.920	10	20	CDCD	
O=C(CCCNC(=O)NCc1ccccc1O)NC1CC1	299471194	DBZWZSVEFGSJFI-UHFFFAOYSA-N	291.351	1.250	10	20	CDCD	
C[C@H](OC[C@@H]1CCCCO1)C(=O)NCc1ccccc1O	299602295	VUIIUBQRUKWFLK-JSGCOSHPSA-N	293.363	1.983	10	20	CDCD	
Cc1c(C)n(C)c2ccc(OS(=O)(=O)C3COC3)cc12	817152045	LCQOAHZAONUSJX-UHFFFAOYSA-N	295.360	1.903	10	20	CDCD	
COCCC(C)(C)C(=O)NCc1ccc(O)cc1O	818032688	BHSOYFBUJRHFHV-UHFFFAOYSA-N	267.325	1.777	10	20	CDCD	
CCOc1ccc(O)c(CN2CC[C@H](NC(C)=O)C2)c1	817412867	PUYNDOGADBJTDK-ZDUSSCGKSA-N	278.352	1.501	10	20	CDCD	
CCn1nc(C)c(CNC(=O)NCc2ccccc2O)n1	823744619	VHYOGAIFSZVARS-UHFFFAOYSA-N	289.339	1.311	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)C1(N(C)C)CC1	827956102	OBNTUDUVYKOFIY-UHFFFAOYSA-N	275.396	1.771	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCN(CC(F)(F)F)CC1	732263673	UVIIFMDOUFHHCG-UHFFFAOYSA-N	294.298	1.774	10	20	CDCD	
c1csc(Sc2nnnn2C[C@H]2CCCO2)n1	836183543	ZXGNTAKBNRCRCT-SSDOTTSWSA-N	269.355	1.460	10	20	CDCD	
CC(C)CNC(=O)CNCc1ccc2c(c1)CCCO2	1332781120	RTROXMLKFHIKKM-UHFFFAOYSA-N	276.380	1.873	10	20	CDCD	
COc1cc2c(c(OC)c1)N(CC[S@@](C)=O)CCC2	839656816	TWBODLXOITVSQM-LJQANCHMSA-N	283.393	1.835	10	20	CDCD	
C[C@@H](NC(=O)[C@@H]1[C@H]2CCC(=O)[C@H]21)c1ccccc1O	913763690	OICHAQZJKUVSNW-DURYJLSESA-N	259.305	1.795	10	20	CDCD	
COc1cc(O)c(CN2CCC[C@@H](N)C2)cc1OC	843044281	ZXUXBKBDFZICBB-LLVKDONJSA-N	266.341	1.333	10	20	CDCD	
Nc1ccc(CCNC(=O)N[C@@H]2CCCOCC2)cc1	841869913	DYYPELRQFLEAQJ-CQSZACIVSA-N	277.368	1.680	10	20	CDCD	
C[C@@H](O)[C@@H](O)CN(Cc1ccccc1O)C1CCCC1	929636685	YTUVAESGIGHMRD-WBMJQRKESA-N	279.380	1.879	10	20	CDCD	
Cn1c(=O)oc2c(C(=O)NCc3ccccc3O)cccc21	757099380	BKXHTHSWCMEQJW-UHFFFAOYSA-N	298.298	1.767	10	20	CDCD	
CNC(=O)[C@H](CC(C)C)NC(=O)c1cc(O)cs1	756810774	PTTLOLARCSHLEI-VIFPVBQESA-N	270.354	1.344	10	20	CDCD	
CCOc1ccc(CNC[C@H](C)S(C)(=O)=O)c(O)c1	754084831	CWBOXJBUNSQLTH-JTQLQIEISA-N	287.381	1.314	10	20	CDCD	
CCCS(=O)(=O)CC(=O)NCc1cc(C)ccc1O	862759206	YIURKHMEXHYNHX-UHFFFAOYSA-N	285.365	1.142	10	20	CDCD	
O=C(NCc1cccnn1)NCc1ccccc1O	767882477	QCEKXBBFUOHYHP-UHFFFAOYSA-N	258.281	1.182	10	20	CDCD	
CCN1C[C@H](NC(=O)N[C@H](C)c2ccccc2O)CC1=O	868674115	GSGDRWXUUOIJTH-GHMZBOCLSA-N	291.351	1.373	10	20	CDCD	
Nc1ccc(Cc2noc(-c3cn(C4CC4)nn3)n2)cc1	863656954	WJXLZBMCQTULPX-UHFFFAOYSA-N	282.307	1.836	10	20	CDCD	
CCOC(=O)[C@H](NCc1cc2c(cc1O)OCO2)C1CC1	1116740767	RARFUSIUDDBFFG-CQSZACIVSA-N	293.319	1.552	10	20	CDCD	
O=C(O)C1CC(NCc2ccc(N3CCOCC3)cc2)C1	871881735	GSJIHOOBSOEFBD-UHFFFAOYSA-N	290.363	1.476	10	20	CDCD	
CN1CCN(c2ccc(CN(C)CC(C)(C)O)cc2)CC1	775700889	QMZDUUQKUYCQNA-UHFFFAOYSA-N	291.439	1.641	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@@H]1CCOC1	773755570	DPBSBMUPQVXSAS-JQWIXIFHSA-N	279.336	1.572	10	20	CDCD	
CC(=O)c1cc(Cl)cc(Cn2cc([C@H](C)N)nn2)c1O	880999063	FIRKUZMRAVAZRY-ZETCQYMHSA-N	294.742	1.908	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCC=CO1	773755380	AEGMHHKATDIXQT-IINYFYTJSA-N	277.320	1.838	10	20	CDCD	
Oc1c(F)cc(F)cc1CNC[C@@H]1CN2CCC[C@@H]2CO1	882985469	ZBRWPHKSULXKNF-CHWSQXEVSA-N	298.333	1.623	10	20	CDCD	
CON(C)C(=O)[C@H](C)N[C@H](C)c1c(O)cccc1F	886644827	LNOCEYWDLXIVHH-BDAKNGLRSA-N	270.304	1.590	10	20	CDCD	
O=C(C=C1CCC1)OCC(=O)c1ccc(O)c(O)c1	784102313	GTBCYTSUGDLCFG-UHFFFAOYSA-N	262.261	1.934	10	20	CDCD	
O=C(N[C@@H]1CCCC2(C1)OCCO2)c1cccc(O)c1O	715587003	BSJNRPZFPXXKMU-SNVBAGLBSA-N	293.319	1.513	10	20	CDCD	
O=C(CCc1cnccn1)NCc1ccc(O)c(O)c1	793688282	DRKIAYFOZNAPKB-UHFFFAOYSA-N	273.292	1.137	10	20	CDCD	
CSCCONC(=O)NCc1ccc(N(C)C)cc1	792791647	GPDHPYUBAOQSEG-UHFFFAOYSA-N	283.397	1.846	10	20	CDCD	
COc1ccc(CNC(=O)[C@@H](OC)C2CC2)c(O)c1	794378150	PLXLPRRYOUUJFA-ZDUSSCGKSA-N	265.309	1.442	10	20	CDCD	
COc1ccc(CNC(=O)NCc2ccncc2)c(O)c1	792761645	FJRVGBIDTFVJEQ-UHFFFAOYSA-N	287.319	1.795	10	20	CDCD	
C[C@@H](NC(=O)[C@@H]1CNCCC1(F)F)c1ccccc1O	877256379	ULUDRPRHAVBZAA-KOLCDFICSA-N	284.306	1.814	10	20	CDCD	
Cc1nn(C)cc1CCC(=O)N(C)c1ccc(N)cc1	1331056948	CCYOIPMTTSGAFG-UHFFFAOYSA-N	272.352	1.906	10	20	CDCD	
O=C(NCc1cc(Cl)ccc1O)NC[C@@H]1CCOC1	1347189215	OVVVKFFQPXJEQQ-VIFPVBQESA-N	284.743	1.881	10	20	CDCD	
O=C(O)c1cccc(C(=O)NCc2ccc(O)cc2O)c1	1606508532	LFEFGSLSPIRKQK-UHFFFAOYSA-N	287.271	1.726	10	20	CDCD	
O=C(O)c1ccc(NCc2cc(O)ccc2O)nn1	1602381640	GXNATJAIHGXKHM-UHFFFAOYSA-N	261.237	1.198	10	20	CDCD	
O=C(O)c1ccnc(C(=O)NCc2c(O)cccc2O)c1	1608951851	QIPVTBXYXNGQQB-UHFFFAOYSA-N	288.259	1.121	10	20	CDCD	
Cc1ccc(C(=O)N2C[C@H](C)[C@@](C)(C(=O)O)C2)c(O)c1O	1600334686	KEIMUMUXAAWKDE-VFZGTOFNSA-N	293.319	1.589	10	20	CDCD	
Cc1cccc(CN2CCC[C@@H](O)[C@H]2C(=O)O)c1O	1610522142	SMHWOUKEGXLYKO-NEPJUHHUSA-N	265.309	1.111	10	20	CDCD	
COc1ccc(CN[C@@H](C)C[S@@](C)=O)cc1C	168210949	QFJPEUAHOYCPTI-GTNSWQLSSA-N	255.383	1.860	10	20	CDCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC1	155669118	WYEPZCBDKNDVQF-UHFFFAOYSA-N	257.337	1.978	10	20	CDCD	
COc1cccc(O)c1CN1CC[C@H](C(=O)N(C)C)C1	840959036	XESKGOCLTFCUQO-NSHDSACASA-N	278.352	1.311	10	20	CDCD	
Cc1cn(C)nc1C(=O)N[C@H](C)c1ccccc1O	827952649	ZTJQKDOCZMJAFC-SNVBAGLBSA-N	259.309	1.925	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC2CCS(=O)(=O)CC2)c1	36331537	LEVUSXAYHHILLS-JTQLQIEISA-N	299.392	1.629	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@H]1C[C@H]2CC[C@H]1O2	265038239	PTTSMVMWQFTZMI-MBNYWOFBSA-N	261.321	1.918	10	20	CDCD	
COc1cccc(CNCC2([S@](C)=O)CC2)c1O	282434962	ROPOVUVQBMOLRK-SFHVURJKSA-N	269.366	1.402	10	20	CDCD	
CC1(C)[C@H](O)C[C@H]1NCc1cc(F)cc(F)c1O	708435055	AUJUECXJHQQPSH-GHMZBOCLSA-N	257.280	1.919	10	20	CDCD	
COc1ccc(O)c(CNC(C)(C)CS(C)(=O)=O)c1	391577139	FKBZNSKBXHNGBN-UHFFFAOYSA-N	287.381	1.314	10	20	CDCD	
Cc1ccc(C(=O)NC[C@H](C)C[C@H](C)O)c(O)c1O	179512756	LSUBQQJLDUBVKJ-SCZZXKLOSA-N	267.325	1.543	10	20	CDCD	
Nc1ccc(CC(=O)N2C[C@@H]3CCC[C@]3(N)C2)cc1	1328918094	IFHZPPQVANNTJO-WFASDCNBSA-N	259.353	1.151	10	20	CDCD	
COc1ccc(N(C)C[C@H](O)Cn2cccn2)c(OC)c1	179007617	ZVXIZRFEMGWSEM-LBPRGKRZSA-N	291.351	1.398	10	20	CDCD	
CO[C@@H](C)CCC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	186443669	KJWQUXLJHQATSM-QWRGUYRKSA-N	281.352	1.960	10	20	CDCD	
CN(C(=O)Cc1ccc(N)cc1)C1CCC(N)CC1	237216800	AWVLDUSEBAHEBN-UHFFFAOYSA-N	261.369	1.540	10	20	CDCD	
COc1ccc(N2CCN(C(=O)c3ccon3)CC2)cc1	74713874	XMRYUQWKFOIQTC-UHFFFAOYSA-N	287.319	1.646	10	20	CDCD	
OCCO[C@H]1CCCN(Cc2cc3c(cc2O)OCO3)C1	271213444	ZEQITEACSFDSCD-LBPRGKRZSA-N	295.335	1.094	10	20	CDCD	
CCOc1ccc(O)c(CN2CCN(C(=O)NC)CC2)c1	271195268	SMGDBGZCICKYGS-UHFFFAOYSA-N	293.367	1.248	10	20	CDCD	
CC(C)NS(=O)(=O)N(C)Cc1ccc(N(C)C)cc1	272255970	ZGHJMRCYFKSMAX-UHFFFAOYSA-N	285.413	1.427	10	20	CDCD	
COC(=O)CN(Cc1cccc(OC)c1O)C1CC1	271275308	OISOSTXNHLWQCJ-UHFFFAOYSA-N	265.309	1.538	10	20	CDCD	
COc1cc(Cl)cc([C@@H]2NC(=O)CN2C)c1O	273456397	DQYSCYXVGUYJAH-LLVKDONJSA-N	256.689	1.114	10	20	CDCD	
COC[C@@H](CO)N[C@@H](C)c1cc2c(cc1O)CCCC2	281004015	NTPMXMZAVHRNPH-SMDDNHRTSA-N	279.380	1.929	10	20	CDCD	
CN(C)CC1(NC(=O)/C=C/c2ccc(O)c(O)c2)CCC1	281662385	JAEABZKXCYDMPA-FNORWQNLSA-N	290.363	1.712	10	20	CDCD	
COc1ccc(OCC(=O)C(C)=O)c([N+](=O)[O-])c1	289807729	YXFAWVRGCPTXAK-UHFFFAOYSA-N	253.210	1.140	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@@H]2O[C@@H](C)C[C@@H]2C)c1	800518917	JSYFIACFFHELOF-PKFCDNJMSA-N	279.336	1.831	10	20	CDCD	
CC[C@@H](NCc1ccc([N+](=O)[O-])c(OC)c1O)C(C)(C)O	293548673	DQJOQJFCTOAIEK-LLVKDONJSA-N	298.339	1.948	10	20	CDCD	
C[C@H](N[C@@H](C)c1cc(F)cc(F)c1O)C(=O)NCCF	800498559	NFTCKAOYKLVPSW-YUMQZZPRSA-N	290.285	1.795	10	20	CDCD	
CN(Cc1cc(Cl)c(F)cc1O)[C@@H]1CCNC1=O	816521175	JDSPHSZSTMRMIE-SNVBAGLBSA-N	272.707	1.505	10	20	CDCD	
CCCN(CC(N)=O)Cc1ccc([N+](=O)[O-])c(OC)c1O	814177837	QPNWGHUMFBLWLV-UHFFFAOYSA-N	297.311	1.006	10	20	CDCD	
CN1CC[C@@H](NCc2cc(Cl)cc([N+](=O)[O-])c2O)C1	729681827	KHQLMUCGUKFXGK-SNVBAGLBSA-N	285.731	1.748	10	20	CDCD	
CCCN(C)CC(=O)N[C@H](C)c1ccccc1O	827937051	JDQLSMAAFFDMBS-LLVKDONJSA-N	250.342	1.911	10	20	CDCD	
C[C@@H]1CN(Cc2cc3c(cc2O)OCO3)C[C@H]1C(=O)O	828455788	GSWXUTSAMRBJBR-PSASIEDQSA-N	279.292	1.273	10	20	CDCD	
C[C@H](NC(=O)CC1COC1)c1ccc(N(C)C)cc1	907493233	PAOPGPITZRPWGO-NSHDSACASA-N	262.353	1.966	10	20	CDCD	
CCCN(C)CC(=O)N[C@@H](C)c1cc(OC)ccc1O	730285568	XTENLWWQYDAFPV-NSHDSACASA-N	280.368	1.920	10	20	CDCD	
C[C@H](NC(=O)CCO)c1ccc(N2CCOCC2)cc1	902824939	ONYFSPUVZJPZHT-LBPRGKRZSA-N	278.352	1.083	10	20	CDCD	
O=C1C[C@H]2C[C@@H]1[C@H](C(=O)NCc1ccccc1O)C2	837482963	YASHRHWNQRXJPJ-MVWJERBFSA-N	259.305	1.624	10	20	CDCD	
Cc1ccncc1CC(=O)NCCc1ccc(O)c(O)c1	830532663	YNTBWSJSOWMHRU-UHFFFAOYSA-N	286.331	1.703	10	20	CDCD	
COC(=O)[C@@H](CC1CC1)NC(=O)c1cc(O)cs1	839815662	AJEBFEBQZKHNOM-SECBINFHSA-N	269.322	1.525	10	20	CDCD	
COc1cc(O)c(CN2CC[C@](C)(C(=O)O)C2)cc1OC	833729273	ITAKGUASPYNKKZ-HNNXBMFYSA-N	295.335	1.706	10	20	CDCD	
Nc1ccc(NC(=O)C(=O)N2CCCCCC2)cc1	841009428	OMDQJVLDLGBYNO-UHFFFAOYSA-N	261.325	1.610	10	20	CDCD	
C[C@@H](NC(=O)N[C@@H](CN)C1CC1)c1ccc(N(C)C)cc1	841881937	FIJLXGSBIIMKFV-ABAIWWIYSA-N	290.411	1.850	10	20	CDCD	
COc1cc(O)c(CN2CCC([C@@H](C)N)CC2)cc1OC	843048672	PBOBZRPTBYIQEP-LLVKDONJSA-N	294.395	1.969	10	20	CDCD	
C[C@@H](Sc1ncc(Cl)s1)C(=O)N1CCNC1=O	849997990	ILMGCDZDXNOAFJ-RXMQYKEDSA-N	291.785	1.829	10	20	CDCD	
CCOc1ccc(CN2CCO[C@H](CF)C2)c(O)c1	840954469	KBDZWSJTIWNKLM-CYBMUJFWSA-N	269.316	1.961	10	20	CDCD	
C[C@@H]1C[C@@H](NC(=O)NCCc2ccc(N)cc2)CCN1C	841835985	JMTSBUUWCWVOEE-DOMZBBRYSA-N	290.411	1.593	10	20	CDCD	
COc1cccc([C@H](C)NCCC2(O)CCOCC2)c1O	846169453	DPKYJKLEIMSUKS-LBPRGKRZSA-N	295.379	1.983	10	20	CDCD	
COc1ccc(N(C)C[C@@H]2CCCS(=O)(=O)C2)cc1	844354830	IEENUIXOGNPGIW-LBPRGKRZSA-N	283.393	1.956	10	20	CDCD	
Cc1ccc([C@@H](O)CNC(=O)c2cc(O)cs2)o1	741299827	PEKPDLDXGLQCPL-VIFPVBQESA-N	267.306	1.819	10	20	CDCD	
CC(C)(C)n1nnc(CN[C@@H]2CCc3cccc(O)c32)n1	848561434	WCYUTOJVDYHTSJ-LLVKDONJSA-N	287.367	1.911	10	20	CDCD	
CCC[C@@H](O)[C@H](CO)NCc1ccc(OC)c(C)c1	842226188	MBXMLTSWEIHOGT-UONOGXRCSA-N	267.369	1.615	10	20	CDCD	
CCCN1CC(=O)N[C@H]1c1ccc(N(C)C)cc1C	840825818	AAKVOSBQCGBBTO-OAHLLOKOSA-N	261.369	1.901	10	20	CDCD	
CC[C@H](CNC(=O)N(C)Cc1ccccc1O)C(=O)O	1341329141	QALWOPGQNJVBHH-SNVBAGLBSA-N	280.324	1.644	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1CC[C@@](C)(C(N)=O)C1	840940965	KTPAVRCEVXXZTD-MRXNPFEDSA-N	275.396	1.758	10	20	CDCD	
Cc1cc(=O)c(C(=O)NCc2cc(Cl)ccc2O)c[nH]1	857547605	LUMKUBRYFVMDIT-UHFFFAOYSA-N	292.722	1.972	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)CCNC(=O)CC(C)C)c1	862760284	OYVNSSDAYHWPSI-UHFFFAOYSA-N	292.379	1.869	10	20	CDCD	
O=C(COC(=O)C1(F)CCOCC1)c1ccc(O)c(O)c1	869725990	MKSHYXXSQPMSGR-UHFFFAOYSA-N	298.266	1.342	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCCCO	867303125	ZMPMJSHIENGOLT-JTQLQIEISA-N	267.325	1.308	10	20	CDCD	
Cc1ccc(CNCc2nnn(C(C)(C)C)n2)c(O)c1	877618009	CHAMOFXMZVWLRS-UHFFFAOYSA-N	275.356	1.732	10	20	CDCD	
CCN[C@@H](C)C(=O)N[C@@H](C)c1cc(OC)ccc1O	876878504	FAEJKQJWWNNQJL-UWVGGRQHSA-N	266.341	1.576	10	20	CDCD	
COc1cccc(O)c1CN(C)C[C@H]1CCN(C(C)=O)C1	770381141	ODEWJHGOJNGGTP-CYBMUJFWSA-N	292.379	1.701	10	20	CDCD	
C[C@H](NC[C@H](O)COCC1CC1)c1ccccc1O	775137038	QOYDMRARHJJPFB-AAEUAGOBSA-N	265.353	1.830	10	20	CDCD	
COc1ccc(CNC2CCN(CC(=O)O)CC2)cc1C	874051369	ZIQROMXKXDIDFL-UHFFFAOYSA-N	292.379	1.642	10	20	CDCD	
Cc1c(CCC(=O)N(C)c2ccc(N)cc2)cnn1C	877076181	NJTNTYYMWQFPME-UHFFFAOYSA-N	272.352	1.906	10	20	CDCD	
COc1ccc(CNC(=O)[C@@H]2CCCCC[C@@H]2N)c(O)c1	872298104	ASPHLLOOASYJHD-KGLIPLIRSA-N	292.379	1.925	10	20	CDCD	
CN(C)C1(CNC(=O)c2cc(O)cs2)CCC1	783932174	HZTQTFNZTSSAIF-UHFFFAOYSA-N	254.355	1.668	10	20	CDCD	
COc1ccc(CN[C@@H](C)c2nc(C)no2)c(O)c1OC	893972684	LNIZLFYAZYILPO-QMMMGPOBSA-N	293.323	1.952	10	20	CDCD	
Cc1cccc(CN2CCC3(CC2)CNC(=O)C3)c1O	271836316	PPFNMEXVEGCCLM-UHFFFAOYSA-N	274.364	1.803	10	20	CDCD	
COc1ccc(N(C)C[C@@H]2CCS(=O)(=O)C2)cc1OC	789295626	SDQUYBFGZXNMGK-NSHDSACASA-N	299.392	1.575	10	20	CDCD	
COC[C@H](CCO)NCc1cc(C)cc(OC)c1O	894281468	VIMKWUKOABGVLT-LBPRGKRZSA-N	269.341	1.196	10	20	CDCD	
COc1cc(C)cc(CN[C@H](C)C(=O)N(C)C)c1O	894394170	UMPNTQVWCMULEY-SNVBAGLBSA-N	266.341	1.276	10	20	CDCD	
CN(C)c1ccc(CN2C[C@@H](O)C[C@@]2(C)CO)cc1F	895332194	SFXVSDQDHRJMHX-WFASDCNBSA-N	282.359	1.209	10	20	CDCD	
COc1ccc(CNC(=O)NC2CC(C)C2)c(O)c1	792985594	KHPQSRPQNHZYHX-UHFFFAOYSA-N	264.325	1.999	10	20	CDCD	
COCCOCCCNCc1cc(F)cc(F)c1O	708535881	SDNAHXLLJQIPAU-UHFFFAOYSA-N	275.295	1.813	10	20	CDCD	
CC[C@H](NC[C@@H](O)CN(C)C)c1ccccc1O	717355558	VJEZKOXBXKKGOW-YPMHNXCESA-N	252.358	1.355	10	20	CDCD	
CO[C@@]1(C)CCCN(Cc2cc3c(cc2O)OC[C@H]3O)C1	794649466	LHUMMPAFXKWLFS-ZBFHGGJFSA-N	293.363	1.819	10	20	CDCD	
CCc1cccc(CN2CC[C@@H](NC(C)=O)C2)c1O	692130460	XWENQVUIWAXWJP-CQSZACIVSA-N	262.353	1.665	10	20	CDCD	
CS(=O)(=O)CCCCN[C@@H]1CCc2cccc(O)c21	692838632	KNSBEDRLVAHVIA-GFCCVEGCSA-N	283.393	1.794	10	20	CDCD	
CN(C)c1nc(CNC(=O)c2cccc(O)c2O)cs1	790844773	WJLVPIBCCKZDKL-UHFFFAOYSA-N	293.348	1.550	10	20	CDCD	
O=C(NCc1ncccc1F)c1cccc(O)c1O	790903944	QBUMDBQTMALTDP-UHFFFAOYSA-N	262.240	1.562	10	20	CDCD	
CN(C)c1ccc(CN2CC[C@@H](C(=O)O)[C@H](F)C2)cc1	1777039710	XQGGELVODJLFTR-ZIAGYGMSSA-N	280.343	1.997	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC[C@H]2CN(C)C(=O)O2)c1	1324266323	KKVJFEDRLAKNBZ-KOLCDFICSA-N	280.324	1.502	10	20	CDCD	
COc1cc(C)cc(CNC[C@](C)(O)C2CC2)c1O	1331552940	LJYZBSQUJPJYKA-HNNXBMFYSA-N	265.353	1.960	10	20	CDCD	
COCC[C@@H](NCc1ccc2c(c1)CCO2)C(=O)O	1332221785	ISAYFZDFSYQUKU-GFCCVEGCSA-N	265.309	1.201	10	20	CDCD	
COCCO[C@H]1CCN(C(=O)NCc2ccc(N)cc2)C1	1336291085	YWDWIKKSTJTGIV-AWEZNQCLSA-N	293.367	1.216	10	20	CDCD	
Cc1nccn1CCCNC(=O)NCc1ccc(N)cc1	1262563567	IKNPDELWOSEXEA-UHFFFAOYSA-N	287.367	1.663	10	20	CDCD	
COc1cc(CN2C[C@H]3[C@@H](C2)[C@@H]3C(=O)O)c(O)cc1C	1607159912	HPSUIUULBPYTDB-YABSGUDNSA-N	277.320	1.472	10	20	CDCD	
CCc1cc(C(=O)NCc2ccccc2O)n(C)n1	228425382	ROHNXMVZWSNKFU-UHFFFAOYSA-N	259.309	1.618	10	20	CDCD	
C[C@@H](NCCOCCF)c1cccc(-c2nn[nH]n2)c1O	1589964103	QRBNUHYIXXBKTD-SECBINFHSA-N	295.318	1.209	10	20	CDCD	
C[C@@H](CN(C)Cc1cc(F)c(F)cc1O)C(=O)O	1589033678	ALLQDGFGGZALRI-ZETCQYMHSA-N	259.252	1.823	10	20	CDCD	
C[C@H](CC(=O)O)NCc1ccc(N2CC[C@H](O)C2)cc1	1776402043	QKAAMQKBHHCTRT-RISCZKNCSA-N	278.352	1.210	10	20	CDCD	
COCCC[C@@H](NCc1ccc2c(c1)CCCO2)C(=O)O	1777205055	VQJYSMFCVBAQDN-CQSZACIVSA-N	293.363	1.981	10	20	CDCD	
C[C@H](C[S@](C)=O)NCc1cc(Cl)ccc1O	164287263	FSSFKQVUYKKDNM-VPTHRUTESA-N	261.774	1.902	10	20	CDCD	
Nc1ccc(CC(=O)NC[C@@H](O)C2CCCCC2)cc1	151973088	QOUGIBYVKGUEEL-OAHLLOKOSA-N	276.380	1.869	10	20	CDCD	
CCN(CC)c1ccc(CN[C@@H](C)CC(N)=O)cc1	135716322	ZJMBZJQKTMMFAW-LBPRGKRZSA-N	263.385	1.886	10	20	CDCD	
C[S@@](=O)C1(CNCc2cc3c(cc2O)OCO3)CCC1	280548077	DNTMRLSJGBDKJT-HXUWFJFHSA-N	297.376	1.512	10	20	CDCD	
O=C(CSc1ncc(C(=O)O)s1)NC1CC1	309289977	JBARGWXTSBDBNM-UHFFFAOYSA-N	258.324	1.212	10	20	CDCD	
COc1ccc(CNCc2cc(C)nn2C)c(O)c1	688953672	FRXMWRZRHCSNRM-UHFFFAOYSA-N	261.325	1.733	10	20	CDCD	
C[C@@H](C[C@H]1CCC(=O)N1)NCc1ccc(N(C)C)cc1	381136416	IXXVXEPVPGCCTM-GXTWGEPZSA-N	275.396	1.899	10	20	CDCD	
COC[C@@](C)(O)CN[C@@H](C)c1cc(F)ccc1O	382571320	QNGXDAMOJWJNHY-ZANVPECISA-N	257.305	1.579	10	20	CDCD	
COc1ccc(O)c([C@H](C)NCc2n[nH]c(C)n2)c1	392479050	UKLVLVPZAQFDQN-QMMMGPOBSA-N	262.313	1.678	10	20	CDCD	
C[C@H](O)[C@H]1CCCN(Cc2cc3c(cc2O)OCO3)C1	136827648	BSBHCBFVARJZNG-QWRGUYRKSA-N	279.336	1.714	10	20	CDCD	
C[C@@H](O)[C@@H]1CCCN(Cc2cc3c(cc2O)OCO3)C1	136827607	BSBHCBFVARJZNG-GHMZBOCLSA-N	279.336	1.714	10	20	CDCD	
CCCOc1ccc(CN2CCN(C(C)=O)CC2)c(O)c1	131788438	FEIUIJPCRWVWBF-UHFFFAOYSA-N	292.379	1.845	10	20	CDCD	
CN(C)CC1(CNC(=O)c2cccc(O)c2O)CCCC1	193163431	BURRVUAICZPYOE-UHFFFAOYSA-N	292.379	1.950	10	20	CDCD	
Nc1ccc(NC(=O)CNC(=O)OCC(F)(F)F)cc1	238008678	ORKNPLPKWQTECJ-UHFFFAOYSA-N	291.229	1.496	10	20	CDCD	
COC[C@H](C)CNC(=O)NCc1ccccc1O	299463613	AOZMBTRJYMEPLX-SNVBAGLBSA-N	252.314	1.474	10	20	CDCD	
CC(=O)N1CCC[C@@H](C(=O)NCc2ccccc2O)C1	299458905	BKPBTZOMSLTYRP-CYBMUJFWSA-N	276.336	1.267	10	20	CDCD	
CC[C@@H]1CN(Cc2cc(OC)ccc2O)C[C@H]1O	272028145	YFOJQEQJGZDGNF-QMTHXVAHSA-N	251.326	1.604	10	20	CDCD	
Cn1ncc(C(=O)NCc2ccc(N3CCCC3)cc2)n1	284020380	NSSLMLDPMTWKDV-UHFFFAOYSA-N	285.351	1.345	10	20	CDCD	
C[C@H]1C[C@@H](CNC(=O)c2c(F)ccc(O)c2O)CCO1	297616449	WCZVKAFFAVWKFR-IUCAKERBSA-N	283.299	1.782	10	20	CDCD	
CC1(C)[C@@H](O)C[C@H]1NC(=O)c1c(F)ccc(O)c1O	295759612	OUKXLSRVWAAJKI-BDAKNGLRSA-N	269.272	1.126	10	20	CDCD	
COC(=O)C[C@@H]1COCCN1Cc1cc(C)cc(C)c1O	808212040	DHACXOZDVOZFCX-CQSZACIVSA-N	293.363	1.773	10	20	CDCD	
CC[C@H](C)[C@@](C)(O)CNC(=O)c1c(F)ccc(O)c1O	825972740	BKXRKTOPNALUKA-RTHLEPHNSA-N	285.315	1.764	10	20	CDCD	
C[C@H]1CN(Cc2cc3c(cc2O)OCO3)C[C@@]1(C)CO	827700424	SQDMLJFXLHUSQX-BONVTDFDSA-N	279.336	1.571	10	20	CDCD	
CCc1cccc(CN[C@H]2C[C@H](C(=O)OC)C2)c1O	827812187	FJVHZSFRSJOCJJ-JOCQHMNTSA-N	263.337	1.996	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@]2(F)CCNC2)cc1	825973753	PIHSQZJJCZNWNC-AWEZNQCLSA-N	265.332	1.070	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H]2NC(=O)CN2CC(C)C)c1	726796762	BRHODGQXTQOZSF-CQSZACIVSA-N	292.335	1.265	10	20	CDCD	
COC(=O)c1cnc(Sc2nnc(C)c(C)n2)s1	828428939	PLJPXCGCXJGRTE-UHFFFAOYSA-N	282.350	1.883	10	20	CDCD	
CC(C)(C)S(=O)(=O)CCNC(=O)c1cc(O)cs1	733364508	VYFPAFYLISUSEJ-UHFFFAOYSA-N	291.394	1.397	10	20	CDCD	
C[C@H](C[C@H]1CCOC1)NC(=O)Cc1ccc(N)cc1	831299172	OOMNPIWSYFFNDP-DGCLKSJQSA-N	262.353	1.743	10	20	CDCD	
CN(C)c1ccc([C@H](N)CNC(=O)c2cocn2)cc1	832272255	DCBQUXCYGCQAEY-GFCCVEGCSA-N	274.324	1.170	10	20	CDCD	
COc1ccc(N(C)CCN(C)C(=O)CC2COC2)cc1	911893942	UYCIVACNBQRNOF-UHFFFAOYSA-N	292.379	1.626	10	20	CDCD	
C[C@H]1[C@@H](C)NCCN1C(=O)NCc1ccc(N(C)C)cc1	841652787	GDXRPQXUVBWIDI-OLZOCXBDSA-N	290.411	1.644	10	20	CDCD	
COc1ccc(O)c(CN[C@@H]2CC23CCNCC3)c1	841079333	MODPFDUPLGXUCH-CQSZACIVSA-N	262.353	1.633	10	20	CDCD	
CCN1C[C@@H](CNCc2cc(OC)ccc2O)CC1=O	846097478	PMJMOVIUQRSBJQ-LLVKDONJSA-N	278.352	1.359	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H](C)C(=O)O)c1	848585070	FVXUTZIUNKIWPS-DTWKUNHWSA-N	296.323	1.482	10	20	CDCD	
NC[C@@H]1CCN(Cc2cccc(Br)c2O)C1	843048734	UXQDTTMFLIQZRX-VIFPVBQESA-N	285.185	1.935	10	20	CDCD	
Cc1cc(O)c(CNC[C@H]2CNCCCO2)cc1C	841085546	GROCKBJFIDBACH-CQSZACIVSA-N	264.369	1.477	10	20	CDCD	
CO[C@@H]1COC[C@@H]1N[C@H](C)c1cc([N+](=O)[O-])ccc1O	840825868	BWYJUZKSNMBASB-YDEJPDAXSA-N	282.296	1.365	10	20	CDCD	
CC1(C)C[C@H]1CNC(=O)C(=O)Nc1ccc(N)cc1	841035164	IRDPGKJGPROZIY-VIFPVBQESA-N	261.325	1.370	10	20	CDCD	
O=C(NCc1ncccc1F)c1cc(O)cs1	752626405	BVAGHICGGWPESU-UHFFFAOYSA-N	252.270	1.918	10	20	CDCD	
CCOc1ccc(CNCCO[C@H]2CCOC2)c(O)c1	922939285	NQBUHAOWTNOALC-AWEZNQCLSA-N	281.352	1.686	10	20	CDCD	
Cc1ccc(C(=O)N2Cc3cnn(C)c3C2)c(O)c1O	857883148	KMQUQDDFPMZPPY-UHFFFAOYSA-N	273.292	1.296	10	20	CDCD	
CNC(=O)CCCNC(=O)NCc1cc(C)ccc1O	858277763	RDNNBMMXPMMOJE-UHFFFAOYSA-N	279.340	1.026	10	20	CDCD	
Cc1ccc(O)c([C@@H](C)NC[C@H](O)CN2CCCC2)c1	756450622	SZZIGITXEJOVOL-KGLIPLIRSA-N	278.396	1.808	10	20	CDCD	
Cc1cc(O)c(CN[C@@H]2CCS(=O)(=O)[C@@H]2C)cc1C	858281866	OLFMZLHDSBSBGQ-DGCLKSJQSA-N	283.393	1.674	10	20	CDCD	
COc1ccc(O)c(CN[C@@H]2CCN(C(C)=O)C2)c1	857068806	GBBOXVRMNBFTOX-GFCCVEGCSA-N	264.325	1.111	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N1CCN2CC[C@H]1C2	854729357	KRHNPHUMYVWUKJ-QQHVMHFCSA-N	274.320	1.028	10	20	CDCD	
CC(=O)c1cc(F)cc(CN[C@@H]2COC[C@@H]2C)c1O	932495797	HNVYZZLIDRXMGL-ISVAXAHUSA-N	267.300	1.858	10	20	CDCD	
CC[C@H](C)NC(=O)[C@H](C)OC(=O)c1cccc(O)c1O	758563164	UOTFJKFHFLIRRV-IUCAKERBSA-N	281.308	1.558	10	20	CDCD	
CC[C@H](NC(=O)c1cc(O)cs1)[C@H](O)C(F)(F)F	766249774	PNEYPKXDBHSNOQ-XPUUQOCRSA-N	283.271	1.885	10	20	CDCD	
CCOc1ccc(CN2CCN[C@@H](C)C2)c(O)c1	768140453	PTAFOOOWLNWCAE-NSHDSACASA-N	250.342	1.585	10	20	CDCD	
C[C@@H](NS(=O)(=O)CCCN(C)C)c1ccccc1O	867834857	PTOZTLVCYYECBY-LLVKDONJSA-N	286.397	1.324	10	20	CDCD	
C[C@@H]1CN(CCCNC(=O)c2cc(O)cs2)CCCO1	762922476	UAAYWRBCWSPBSJ-LLVKDONJSA-N	298.408	1.684	10	20	CDCD	
CCC[C@@H](CCO)NC(=O)/C=C\c1ccc(O)c(O)c1	869866082	CVROITKHZOKIOJ-HWPRWLFBSA-N	279.336	1.778	10	20	CDCD	
C[C@@H]1COCCCN1C(=O)/C=C/c1ccc(O)c(O)c1	779538086	UYECSWUYDRUEJI-DUMNWFOQSA-N	277.320	1.748	10	20	CDCD	
CC(C)N(C)S(=O)(=O)N[C@H](C)c1ccc(N(C)C)cc1	773083704	HNGKEXJBCSWZPQ-GFCCVEGCSA-N	299.440	1.988	10	20	CDCD	
C[C@H](CNC(=O)NCc1c(O)cccc1F)C(=O)O	1121918596	MUOPKPKXRKATBX-SSDOTTSWSA-N	270.260	1.051	10	20	CDCD	
COC(=O)C[C@H](NC(=O)c1ccc(C)c(O)c1O)C1CC1	770506537	SHCPCBBYQIIELE-NSHDSACASA-N	293.319	1.478	10	20	CDCD	
C[C@@H]1CN(C)C(=O)CN1Cc1cc(Cl)ccc1O	783734585	UJPORJSCLMWPJD-SECBINFHSA-N	268.744	1.708	10	20	CDCD	
C[C@H]1C[C@@H](C(=O)OCC(=O)c2ccc(O)c(O)c2)CO1	784875459	MACIDCGNKNZXHL-WCBMZHEXSA-N	280.276	1.249	10	20	CDCD	
COc1cccc(O)c1CN1CCO[C@@H](OC)C1	895968601	DWHGSKZYQMJDCN-CYBMUJFWSA-N	253.298	1.206	10	20	CDCD	
COc1cc(C)cc(CN[C@@H]2CO[C@H](C)C2)c1O	895083234	IMWIQDMJSFUDLC-PWSUYJOCSA-N	251.326	1.976	10	20	CDCD	
CNc1ccc(C(=O)NCc2cc(OC)ccc2O)cn1	788298627	MWEPYVSITPUHLW-UHFFFAOYSA-N	287.319	1.768	10	20	CDCD	
C[C@@H]1c2nncn2CCN1Cc1cc(F)cc(F)c1O	894552186	ROWIAZNPHRWKNV-MRVPVSSYSA-N	280.278	1.839	10	20	CDCD	
O=C1N[C@H]2CCN(C(=O)c3cc(O)cs3)C[C@@H]2CO1	799103105	ADQVUIPSXOIGAH-APPZFPTMSA-N	282.321	1.024	10	20	CDCD	
Oc1c(F)cc(F)cc1CNCCC1CC(O)C1	708393926	LZHRLHFVOKBLHA-UHFFFAOYSA-N	257.280	1.921	10	20	CDCD	
CC[C@@H](NC(=O)c1cccc(O)c1O)[C@H](O)C(F)(F)F	790912236	QJAZIEXGQMQQDH-XCBNKYQSSA-N	293.241	1.529	10	20	CDCD	
Oc1ccc(CCNc2nccn3cnnc23)cc1O	771237228	HFASKCUJCVJMBG-UHFFFAOYSA-N	271.280	1.190	10	20	CDCD	
CO[C@H]1CC[C@H](NC(=O)c2c(F)ccc(O)c2O)C1	1326504455	PAATYBRMAVTAPO-YUMQZZPRSA-N	269.272	1.534	10	20	CDCD	
CCCOc1ccc(CN[C@H](CO)C(=O)O)cc1C	1332476097	KNQVOOXNXDGISJ-GFCCVEGCSA-N	267.325	1.319	10	20	CDCD	
O=C(O)[C@@H](O)CNCc1ccc(N2CCCCC2)cc1	1331997685	GBAKCFXTJNNSTJ-AWEZNQCLSA-N	278.352	1.212	10	20	CDCD	
CC1(N)CCN(C(=O)NCc2ccc(N)cc2)CC1	1338791864	ARMOMJXULIPXNE-UHFFFAOYSA-N	262.357	1.292	10	20	CDCD	
COC(=O)NC1CN(Cc2cc(C)ccc2O)C1	1330867971	RINWWYTVRRHNLB-UHFFFAOYSA-N	250.298	1.241	10	20	CDCD	
CCCCN(C)S(=O)(=O)NCc1cc(C)ccc1O	1348157461	SQENTSDWRBULQA-UHFFFAOYSA-N	286.397	1.767	10	20	CDCD	
Cc1cc(C[C@H](C)NC(=O)NCc2ccc(N)cc2)n[nH]1	1262578374	OPZLMFLTJNKOLT-JTQLQIEISA-N	287.367	1.731	10	20	CDCD	
C[C@H](Nc1cc(-c2nn[nH]n2)cnn1)c1ccccc1O	1605441974	VGCSDYMNBRHCDA-QMMMGPOBSA-N	283.295	1.535	10	20	CDCD	
CN(CCCC(=O)O)C(=O)c1c(F)ccc(O)c1O	1604157417	IGNRXQDJSYMCKP-UHFFFAOYSA-N	271.244	1.174	10	20	CDCD	
O=C(O)[C@@H](C[C@@H]1CCCO1)NCc1ccccc1O	1601640375	BOCSAICTYWYKEY-NWDGAFQWSA-N	265.309	1.504	10	20	CDCD	
C[C@H]1CCCN(C(=O)Cc2ccc(O)c(O)c2)[C@@H]1C(=O)O	1573728089	WMAOEPKBYQBZFR-XPTSAGLGSA-N	293.319	1.352	10	20	CDCD	
Nc1ccc(CCNC(=O)c2cnc(C3CC3)nc2O)cc1	1580443597	RYKNUCCQCZOWFB-UHFFFAOYSA-N	298.346	1.614	10	20	CDCD	
CCCNC(=O)NC(=O)CN(C)c1ccc(OCC)cc1	150733151	WYTGRRAXWHLRSS-UHFFFAOYSA-N	293.367	1.757	10	20	CDCD	
O=C(NCCCN1CCCC1)c1cccc(O)c1O	126399177	AOXDXPBYWWBXCM-UHFFFAOYSA-N	264.325	1.314	10	20	CDCD	
COc1ccc(O)c([C@H](C)N[C@H]2C[C@H](CO)C2)c1	927148981	WGGLFRIICYBWBK-DCAQKATOSA-N	251.326	1.822	10	20	CDCD	
COc1ccc(N(C)CC(=O)NC[C@H]2CCCO2)cc1	844353458	OJCVFOPWMYTZMV-CQSZACIVSA-N	278.352	1.427	10	20	CDCD	
COc1ccc(N(C)C[C@@H](O)Cn2cccn2)cc1	844353133	HWILLKBYRHSALB-CYBMUJFWSA-N	261.325	1.389	10	20	CDCD	
Oc1ccccc1CNc1ccc(-n2cnnn2)cc1	20094294	USMJRSZPQALNRA-UHFFFAOYSA-N	267.292	1.980	10	20	CDCD	
Nc1ccc(CNC(=O)CCCCC(=O)O)cc1	169819248	VYJPYCVVVRVHCK-UHFFFAOYSA-N	250.298	1.530	10	20	CDCD	
CCOc1cccc(CNCCn2cccn2)c1O	49074535	WYURKQJTGMBQAL-UHFFFAOYSA-N	261.325	1.777	10	20	CDCD	
CCCNC(=O)CCN[C@H]1CCc2cccc(O)c21	311852388	JGJHXGWCTHXLBH-LBPRGKRZSA-N	262.353	1.885	10	20	CDCD	
O=C(CCCNCc1cc(F)cc(F)c1O)NC1CC1	708559346	QVHZQAXXUMPJED-UHFFFAOYSA-N	284.306	1.819	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCc2nc[nH]c2C1	396810532	BXVZIQYJFJULFB-UHFFFAOYSA-N	259.265	1.019	10	20	CDCD	
COc1ccc(O)c(CNC(=O)NC2CCOCC2)c1	172070890	HHLGZAHMSIHUPT-UHFFFAOYSA-N	280.324	1.379	10	20	CDCD	
CCNC(=O)CCC(=O)NCc1ccc(N(C)C)c(F)c1	110671906	PQXYEFMVEVZQHQ-UHFFFAOYSA-N	295.358	1.424	10	20	CDCD	
COc1cccc(CNC(=O)NCCn2cccn2)c1O	174956385	IICVQHCDESYXCS-UHFFFAOYSA-N	290.323	1.097	10	20	CDCD	
COCCCCNC(=O)NCc1cc(OC)ccc1O	114587808	UKMICKNYQRZFJN-UHFFFAOYSA-N	282.340	1.627	10	20	CDCD	
Cc1nn(C)cc1C(=O)NCc1ccc(N(C)C)c(F)c1	113039513	RTDRURGGXLYYRJ-UHFFFAOYSA-N	290.342	1.864	10	20	CDCD	
Cc1ccc(C(=O)Nc2nncs2)c(O)c1O	177667426	FLDRJANSAWZFAL-UHFFFAOYSA-N	251.267	1.510	10	20	CDCD	
COc1ccc(O)c(CNC(=O)Cc2ccccc2O)c1	114541879	IJNUQYKYCYMQKA-UHFFFAOYSA-N	287.315	1.965	10	20	CDCD	
C[C@@H](CO)N[C@H](C)c1ccc(N2CCOCC2)c(F)c1	127637479	WNRURIFTJHBXAQ-NWDGAFQWSA-N	282.359	1.694	10	20	CDCD	
C[C@@H](C(=O)N1CCOc2cc(N(C)C)ccc21)N(C)C	78756119	DLKMFQKCZXELTN-NSHDSACASA-N	277.368	1.428	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C1CC(=O)C1	186401084	NZTAKFDKNCCCIB-QMMMGPOBSA-N	263.293	1.124	10	20	CDCD	
C[C@H](NC(=O)Cc1ccc(N)cc1)c1nnc2n1CCC2	37004891	IDZVZDLCKJXIMZ-JTQLQIEISA-N	285.351	1.226	10	20	CDCD	
COc1ccccc1NC[C@H](O)Cn1cc([N+](=O)[O-])cn1	37874611	FDAWXSHXNGTCIT-NSHDSACASA-N	292.295	1.273	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)c1cnc(S)[nH]1	187198415	NZNZHTCQXIZTCB-UHFFFAOYSA-N	279.321	1.082	10	20	CDCD	
O=C(NC1(C(F)(F)F)CC1)c1cccc(O)c1O	229720811	VJYDHAHEZXWMFP-UHFFFAOYSA-N	261.199	1.923	10	20	CDCD	
CO[C@@H](C)CC(=O)NCc1ccc(N(C)C)cc1	195353615	FRXDXNBKNKKTCR-NSHDSACASA-N	250.342	1.794	10	20	CDCD	
C[C@@]1(C(=O)NCCc2ccc(N)cc2)CCCNC1	237503191	JYVZNAZRQSARLH-OAHLLOKOSA-N	261.369	1.317	10	20	CDCD	
CC[C@@](C)(CCO)NCc1cc([N+](=O)[O-])ccc1O	268565099	PFXRPYJGMJOJHS-ZDUSSCGKSA-N	268.313	1.941	10	20	CDCD	
Cc1nn(C)c(NC(=O)Cc2ccc(N)cc2)c1C	269227256	FSOPGSCURDHJBA-UHFFFAOYSA-N	258.325	1.800	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CC([C@H]2CCOC2)C1	366256508	UYYPLMUKOYVVKM-KMOQFTEPSA-N	289.331	1.606	10	20	CDCD	
O=C(NCc1ccccc1O)[C@@H]1CCCN1C1CC1	279974858	UOJZGFUBLZKSEQ-ZDUSSCGKSA-N	260.337	1.635	10	20	CDCD	
COCCC[C@H](C)C(=O)NCc1ccc(O)c(O)c1	272385411	WSSFNTPGQMZPSC-JTQLQIEISA-N	267.325	1.777	10	20	CDCD	
COC[C@@H]1CN(Cc2cc(OC)c(OC)cc2O)CCO1	271058012	BIBALTUIMZQOCP-LBPRGKRZSA-N	297.351	1.257	10	20	CDCD	
C[C@H]1[C@@H](N2CCCC2)CCN1C(=O)c1cccc(O)c1O	376412176	HDLJYKARIUZIBJ-AAEUAGOBSA-N	290.363	1.797	10	20	CDCD	
Cc1ccc(O)c(CN2CCN(C[C@H](C)O)C[C@@H]2C)c1	284438837	SOVZHKZEOPJMBT-KBPBESRZSA-N	278.396	1.588	10	20	CDCD	
CCN(Cc1ccc(N(C)C)c(F)c1)[C@@H]1CCNC1=O	281770353	MDSNCDDHEFPTCB-CQSZACIVSA-N	279.359	1.602	10	20	CDCD	
CCCCN(Cc1ccccc1O)C(=O)[C@H]1COCCO1	282561783	UHBBBSIRJFJNBY-OAHLLOKOSA-N	293.363	1.936	10	20	CDCD	
CN(Cc1cc(Cl)c(F)cc1O)[C@@H]1COC[C@H]1O	294819856	XMCVEYHMSSGLSF-ZYHUDNBSSA-N	275.707	1.376	10	20	CDCD	
CC[C@@H](C)CONC(=O)c1c(F)ccc(O)c1O	295244057	FAAJHGDGYBRWBZ-SSDOTTSWSA-N	257.261	1.944	10	20	CDCD	
COc1cccc(CN(C)C[C@H](O)C2CC2)c1O	809751487	IGNPHKCXKLPNOT-LBPRGKRZSA-N	251.326	1.604	10	20	CDCD	
C[C@H](NC[C@H]1CCN1C)c1cc([N+](=O)[O-])ccc1O	903318610	RMUFPGLFDSMEAF-GXSJLCMTSA-N	265.313	1.655	10	20	CDCD	
CC[C@@H](C)NC(=O)CCNC(=O)c1cc(O)cs1	731870836	ZGORTDMLFPGWGY-MRVPVSSYSA-N	270.354	1.488	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N[C@@H](C(=O)O)C2CC2)cc1	908757906	FMORRSQMCNXBBW-CYBMUJFWSA-N	291.351	1.415	10	20	CDCD	
COC(=O)CN(CC(=O)O)Cc1cc(C)c(C)cc1O	737616217	UCDSFXPPVWFGQP-UHFFFAOYSA-N	281.308	1.069	10	20	CDCD	
COC(=O)CCSCCNC(=O)c1cc(O)cs1	733809520	TUWPMMQQYSUVFA-UHFFFAOYSA-N	289.378	1.480	10	20	CDCD	
COc1cc2c(c(OC)c1)N(CCOCCO)CCC2	839654846	BCMNGLBWVZAEEL-UHFFFAOYSA-N	281.352	1.465	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H](C)Cc2cnn(C)c2)c(O)c1O	836980597	SGXKYARBZMWMBH-JTQLQIEISA-N	289.335	1.501	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@H]2C[C@@]23CCCNC3)cc1	848407060	LRUWFOBXOWXUSR-DOTOQJQBSA-N	287.407	1.759	10	20	CDCD	
CCc1cccc(CN2C[C@@H](CO)OC(C)(C)C2)c1O	848918032	NHTUKHWPHFIOAN-AWEZNQCLSA-N	279.380	1.926	10	20	CDCD	
CCN[C@H](C)CNCc1cc2c(cc1O)OCO2	841066964	XZWDXYJIFKKFGW-SECBINFHSA-N	252.314	1.209	10	20	CDCD	
CN(C)C(=O)CCCC(=O)NCc1cc(Cl)ccc1O	846475355	GQHYWEDRNCBBCU-UHFFFAOYSA-N	298.770	1.920	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2C[C@@H](CN)C[C@@H]2C)c1O	843056951	DCSRJWJQSMDUFD-VHSXEESVSA-N	295.339	1.478	10	20	CDCD	
COc1ccc(N(C)CCN(C)C[C@H](C)CO)cc1	844400335	AIWQHLGUFSCENB-ZDUSSCGKSA-N	266.385	1.692	10	20	CDCD	
COc1ccc(O)c(CN[C@H]2CCN(C(C)(C)C)C2=O)c1	843414936	HAAIMPWDSVFNCL-ZDUSSCGKSA-N	292.379	1.890	10	20	CDCD	
CCc1cccc(CN(CCO)C2CCN(C)CC2)c1O	848876370	HSTGVFZBBNAFLQ-UHFFFAOYSA-N	292.423	1.843	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NCCNC(=O)C(C)C)c1	858121441	AOYJXVRUMXJTKW-UHFFFAOYSA-N	293.367	1.272	10	20	CDCD	
Nc1ccc(CCN[C@@H]2[C@H]3C[C@@H]4CN[C@@H]2[C@H]4C3)cc1	925690123	FEUUPGQEUXOCFD-FHXAZYNBSA-N	257.381	1.397	10	20	CDCD	
OC[C@@H](CNCc1ccc2c(c1)CCCO2)[C@@H]1CCOC1	922086491	MBRGLJSDGFVSTF-HZPDHXFCSA-N	291.391	1.746	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1nc(=N)cc[nH]1	865936608	NPHYNJZYBSYVAW-UHFFFAOYSA-N	285.351	1.194	10	20	CDCD	
C[C@@H](NC(=O)NCCC(=O)O)c1ccccc1O	874403829	VDEBLMNYLKHWOJ-MRVPVSSYSA-N	252.270	1.227	10	20	CDCD	
COc1ccc(CNCCNC(=O)[C@@H]2C[C@H]2C)cc1C	1122927733	FKAVDPJJRRWPKD-BXUZGUMPSA-N	276.380	1.865	10	20	CDCD	
CCCNC(=O)CN[C@@H](C)c1c(O)cccc1F	886491658	KXZPIJYNKFKZLB-VIFPVBQESA-N	254.305	1.708	10	20	CDCD	
CO[C@@]1(C(=O)NCc2cc(C)ccc2O)CCSC1	899133918	QQLVRAPFUMDBFM-AWEZNQCLSA-N	281.377	1.839	10	20	CDCD	
COCCNCc1cccc(Br)c1O	42411507	XKLAKUUUTKEPJH-UHFFFAOYSA-N	260.131	1.891	10	20	CDCD	
O=C(NCCN1CCCCCC1)c1cccc(O)c1O	186905554	RHYPGPXYOQQKGX-UHFFFAOYSA-N	278.352	1.704	10	20	CDCD	
CCOC1(C(F)(F)F)CN(C(=O)CN=[N+]=[N-])C1	409432102	KWEOLPXXDCAEEH-UHFFFAOYSA-N	252.196	1.477	10	20	CDCD	
C[S@@](=O)CCCNCc1cc(F)cc(F)c1O	708494778	OZUHQGWZLSKOFY-QGZVFWFLSA-N	263.309	1.529	10	20	CDCD	
COC(=O)[C@@H]1CC[C@H](NC(=O)Cc2ccc(N)cc2)C1	1220406244	MVXMKKYDESLSPV-YPMHNXCESA-N	276.336	1.269	10	20	CDCD	
Cc1cc(O)c(CN2CC(S(C)(=O)=O)C2)cc1Cl	1231870559	IPSMXIZGOFYIGI-UHFFFAOYSA-N	289.784	1.583	10	20	CDCD	
COc1cccc(O)c1CN1CCC[C@](C)(CO)C1	1319706770	CQHRNWLTZKEZGK-HNNXBMFYSA-N	265.353	1.995	10	20	CDCD	
COc1cccc(CNC2CCN(CC(=O)O)CC2)c1O	1329775441	SJZCZIOCUICJLF-UHFFFAOYSA-N	294.351	1.039	10	20	CDCD	
Nc1ccc(CNC(=O)NC[C@H]2CCC[C@@H](O)C2)cc1	1338793766	UYNPONMROJJVQL-GXTWGEPZSA-N	277.368	1.619	10	20	CDCD	
Cc1ccc(O)c(CNCC2(C(=O)O)CCOCC2)c1	1332338422	DKGWCYUMNANWSO-UHFFFAOYSA-N	279.336	1.672	10	20	CDCD	
O=C(O)C[C@@]1(NCc2ccccc2O)CCCOC1	1334769085	UDNKOGJLBRCPPO-AWEZNQCLSA-N	265.309	1.506	10	20	CDCD	
C/C(=C/COC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)O	1609535151	HICKDHAHZWVYLR-BWRAOMHSSA-N	278.260	1.685	10	20	CDCD	
Cc1ccc(C(=O)N2CC[C@H](C)C[C@@H]2C(=O)O)c(O)c1O	1600331811	DWHRJEAUIVZUJF-GZMMTYOYSA-N	293.319	1.732	10	20	CDCD	
CC[C@@H](CNC(=O)NCc1ccc(OC)cc1O)C(=O)O	1573798697	YWUZXNNUCCVGGY-VIFPVBQESA-N	296.323	1.311	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@@H](C)CC(=O)O	1592381563	JUCDZZYCYANRCA-ZJUUUORDSA-N	295.335	1.646	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)[C@H]1CC[C@@H](C(=O)O)C1	1594770565	RTESAAKYCIZXMG-DTWKUNHWSA-N	279.292	1.215	10	20	CDCD	
COc1ccc(O)c([C@@H](C)N[C@@H](C)CC(=O)O)c1	1594105463	MKPVTEQKXNSETJ-DTWKUNHWSA-N	253.298	1.915	10	20	CDCD	
COc1ccc(O)c(CN[C@@H](CC(F)(F)F)C(=O)O)c1	1599597872	ABLBDSABGSHTJM-VIFPVBQESA-N	293.241	1.896	10	20	CDCD	
CN(C)c1cc(F)c(CNC2CC(C(=O)O)C2)cc1F	1777037791	MQBNYMGEIYIFNN-UHFFFAOYSA-N	284.306	1.984	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2cnn(C)c2C)c1	162933262	SFGZTUZPFHEVBH-UHFFFAOYSA-N	275.308	1.373	10	20	CDCD	
Cn1ncc(Cl)c1CNCCc1ccc(N)cc1	841038932	VDIWFKAWDTTWPI-UHFFFAOYSA-N	264.760	1.988	10	20	CDCD	
Cn1nncc1CNCc1cc(Br)ccc1O	288377818	FRSKFDDVKAIDIL-UHFFFAOYSA-N	297.156	1.573	10	20	CDCD	
CCN1C[C@H](N[C@@H](C)c2ccc(F)cc2O)CC1=O	391544133	OHQJWBDMNJYAIX-GXSJLCMTSA-N	266.316	1.803	10	20	CDCD	
COc1ccc(N2CCCN([C@@H]3CCOC3=O)CC2)cc1	53774102	UYXRQMOVMGTJHM-OAHLLOKOSA-N	290.363	1.523	10	20	CDCD	
CCCN(CC(=O)NC)Cc1cc(OC)c(OC)cc1O	179827208	NSQZNHROWXVEPC-UHFFFAOYSA-N	296.367	1.367	10	20	CDCD	
CN(CCN(C)C1CC1)C(=O)/C=C/c1ccc(O)c(O)c1	186802589	DTWVBUCMDQWLFF-XBXARRHUSA-N	290.363	1.664	10	20	CDCD	
CC[C@H](COC)NC(=O)NCc1ccc(N(C)C)cc1	121345886	RYPBVXDXVGUWBD-CYBMUJFWSA-N	279.384	1.977	10	20	CDCD	
COC(=O)CNC(=O)CN(C)c1ccc(OC(C)C)cc1	191581222	HACOZNWEXVFYQV-UHFFFAOYSA-N	294.351	1.199	10	20	CDCD	
Cc1n[nH]nc1C(=O)NCc1ccc(N2CCCC2)cc1	193805574	XISMEFLTSUCQSH-UHFFFAOYSA-N	285.351	1.643	10	20	CDCD	
CC(=O)N[C@@H]1CCN(Cc2c(O)cccc2Cl)C1	228356389	WQKTXPQOJYDDIM-SNVBAGLBSA-N	268.744	1.756	10	20	CDCD	
C[C@@H]1C[C@H](C(=O)N2CCOc3cc(N(C)C)ccc32)CO1	439157172	NBQXHGJXVCXQHO-NEPJUHHUSA-N	290.363	1.903	10	20	CDCD	
CN1CCCc2cc(CNC(=O)[C@@]3(F)CCNC3)ccc21	366329765	PJOYCUOBPMJQNT-MRXNPFEDSA-N	291.370	1.387	10	20	CDCD	
CC[C@@](C)(O)CNCc1ccc([N+](=O)[O-])c(OC)c1O	278916265	UEYOTIILFYKGME-CYBMUJFWSA-N	284.312	1.560	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CC[C@@H]1CCOC1	274902312	GPXXXUQPTLIPJD-NWDGAFQWSA-N	293.363	1.962	10	20	CDCD	
OC[C@@]1(F)CCCN(Cc2cccc(F)c2O)C1	289856173	QGYWWGUHGVLOJT-CYBMUJFWSA-N	257.280	1.828	10	20	CDCD	
C[C@H]1CN(Cc2ccccc2O)C[C@]2(CCOC2)O1	280321986	QKIZMKUOZHDVNU-WFASDCNBSA-N	263.337	1.772	10	20	CDCD	
Cc1cc(CN2CC[C@@](C)(C(N)=O)C2)ccc1N(C)C	294268328	VJFZOQJXQVCMNG-MRXNPFEDSA-N	275.396	1.758	10	20	CDCD	
C[C@@H]1NCC[C@@H](C)[C@H]1NC(=O)Cc1ccc(N)cc1	295084455	SLPSRCMFVPCTHF-JRPNMDOOSA-N	261.369	1.314	10	20	CDCD	
COc1ccc(O)c(CN(C)CC(C)(C)CO)c1	294718196	FFMOCENWJKQLDC-UHFFFAOYSA-N	253.342	1.851	10	20	CDCD	
CNC(=O)[C@H](C)N[C@@H](C)c1c(C)cc(C)cc1O	294415010	UABMHWDJIQCJLV-QWRGUYRKSA-N	250.342	1.794	10	20	CDCD	
COc1ccc(CNC(=O)c2nc(C)oc2C)c(O)c1	816551313	XEZSELZUFFYJRS-UHFFFAOYSA-N	276.292	1.936	10	20	CDCD	
Oc1cc(F)c(Cl)cc1CNCCCn1cncn1	816547154	LXRXUTMMAOJNJQ-UHFFFAOYSA-N	284.722	1.956	10	20	CDCD	
COc1cccc(CN[C@@H]2COCC[C@H]2OC)c1O	724882953	OKCFCCXTFWCPSN-VXGBXAGGSA-N	267.325	1.294	10	20	CDCD	
COc1cc(O)c(CN[C@H](CC(C)C)C(=O)O)cc1OC	820775341	SBAWXRUWSDLNND-LLVKDONJSA-N	297.351	1.998	10	20	CDCD	
CN1CCN(CCCCNC(=O)c2cc(O)cs2)CC1	731869626	ULEQHLTXYARYKA-UHFFFAOYSA-N	297.424	1.211	10	20	CDCD	
C[C@H](CC(=O)O)NCc1ccc(N2CCOCC2)c(F)c1	738892057	RZEDOCHLKUZIJE-LLVKDONJSA-N	296.342	1.615	10	20	CDCD	
Cc1ccnc(NCc2ccccc2O)c1-c1nn[nH]n1	826314344	RXAGRLXFKHCBLJ-UHFFFAOYSA-N	282.307	1.888	10	20	CDCD	
CC(C)[C@@H](C)NC(=O)COC(=O)c1cc(O)cs1	731909159	BNDLTLFJZTYIIK-MRVPVSSYSA-N	271.338	1.771	10	20	CDCD	
OCC1(NCc2cc(F)ccc2O)CCSCC1	839181628	KDIYKINJHUIKJM-UHFFFAOYSA-N	271.357	1.879	10	20	CDCD	
N[C@H]1C[C@H](NCc2ccc(N3CCOCC3)c(F)c2)C1	906507835	FLKUSFZARRTSBP-JOCQHMNTSA-N	279.359	1.242	10	20	CDCD	
CCn1ccc(C(=O)NCc2ccc(OC)cc2O)n1	843874651	OXXHPRSKFZKNTE-UHFFFAOYSA-N	275.308	1.547	10	20	CDCD	
COc1cccc(O)c1CN1CC[C@@]2(CCCN2)C1	841105892	BLPTUQZGLLJDGU-HNNXBMFYSA-N	262.353	1.729	10	20	CDCD	
CCCOC(=O)[C@@H](C)OC(=O)c1cc(O)cs1	745002174	HXPVLGGNOGTRBB-SSDOTTSWSA-N	258.295	1.952	10	20	CDCD	
CCOC(=O)N1CC[C@@H](NC(=O)Nc2ccc(N)cc2)C1	841296256	SCNRAFWVPVVLDR-GFCCVEGCSA-N	292.339	1.621	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H](C)N	841985513	OJUQGLJLOWAVHL-GFCCVEGCSA-N	278.400	1.631	10	20	CDCD	
Nc1ccc(CCNC(=O)[C@]2(C(=O)O)CC=CCC2)cc1	849364826	QKESHYOXCAQCJD-INIZCTEOSA-N	288.347	1.739	10	20	CDCD	
NC[C@H]1CCCN(Cc2cc3c(cc2O)OCO3)C1	843047175	HZBXJHPIGOTYHV-SNVBAGLBSA-N	264.325	1.292	10	20	CDCD	
CCN(C)C(=O)[C@@H](C)N[C@@H](C)c1cccc(OC)c1O	846167295	WNAGHVYNXYHMAV-WDEREUQCSA-N	280.368	1.918	10	20	CDCD	
Nc1ccc(CCNC(=O)NCCCCCCO)cc1	841958985	JQLNDJNUGISUDV-UHFFFAOYSA-N	279.384	1.663	10	20	CDCD	
CCOc1ccc(N(C)CCN2CCCS2(=O)=O)cc1	747524905	FPDXTCOOCKEWIK-UHFFFAOYSA-N	298.408	1.557	10	20	CDCD	
Fc1cc(CNC2CCNCC2)ccc1N1CCOCC1	841026435	BVMHCWQXEBMHHD-UHFFFAOYSA-N	293.386	1.504	10	20	CDCD	
COc1ccc(O)c([C@@H](C)N[C@H](CO)CCF)c1	846097473	PILMMEXHLIZKMA-ZJUUUORDSA-N	257.305	1.772	10	20	CDCD	
CCc1cccc(CN2CC(S(C)(=O)=O)C2)c1O	848914829	OIYGLVJKERFKOQ-UHFFFAOYSA-N	269.366	1.183	10	20	CDCD	
CO[C@H](C)CN(C)C(=O)NCCc1ccc(N)cc1	841956423	DTIRJSBZXJTADE-LLVKDONJSA-N	265.357	1.488	10	20	CDCD	
O=C(OCc1noc2c1COCC2)c1cc(O)cs1	922438471	LXFBYCHLFRRGNG-UHFFFAOYSA-N	281.289	1.871	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@@H](C)CC(N)=O)c1	756661280	QGPFXSQPXGCQED-IUCAKERBSA-N	280.324	1.093	10	20	CDCD	
CC(C)(CNC(=O)c1cc(O)cs1)[C@]1(O)CCCOC1	856144353	IPAVUKHRFAHXLD-AWEZNQCLSA-N	299.392	1.751	10	20	CDCD	
CCCCN(Cc1ccccc1O)C[C@@H](O)[C@@H](C)O	930351309	OKICJDULLNWDKS-IUODEOHRSA-N	267.369	1.736	10	20	CDCD	
C[C@H]1C[C@H]1C(=O)NCc1ccc(N2CCC(O)CC2)cc1	856208015	FYGSMEBZBWXXDT-BLLLJJGKSA-N	288.391	1.920	10	20	CDCD	
Oc1cc2c(cc1CN1C3CCC1CC3)[C@@H](O)CO2	768442439	WEZKPFUVWUHCOY-MGULZYLOSA-N	261.321	1.945	10	20	CDCD	
CS[C@H](CO)[C@@H](C)NC(=O)c1cc(O)cs1	769340431	JVVUAWOPBUUOMA-HZGVNTEJSA-N	261.368	1.296	10	20	CDCD	
CC[C@@H](N[C@@H]1COC[C@@H]1O)c1cc(Cl)ccc1O	866419639	GPLTYXMDERFQPJ-WZRBSPASSA-N	271.744	1.846	10	20	CDCD	
C[C@@H]1CN(C(=O)c2cc(O)cs2)[C@H](C)CN1C	768845960	LEUBKIZYJSGQEV-RKDXNWHRSA-N	254.355	1.618	10	20	CDCD	
CCc1cccc(CN2CCSC[C@@H]2CO)c1O	877780610	WHVMXXHKFDZHHC-ZDUSSCGKSA-N	267.394	1.864	10	20	CDCD	
COC(=O)[C@@H]1CN(Cc2ccc(C)cc2O)CCO1	876688769	NQCUMGJPDSFAPI-ZDUSSCGKSA-N	265.309	1.074	10	20	CDCD	
CN(C)C(=O)[C@@H]1CCCN1C(=O)Nc1ccc(N)cc1	859697415	GZNJAMBAKQZKLE-LBPRGKRZSA-N	276.340	1.353	10	20	CDCD	
CN(Cc1cc(Cl)cc(F)c1O)[C@H]1CCNC1=O	775744491	NLWYQTWHQNRDTA-JTQLQIEISA-N	272.707	1.505	10	20	CDCD	
CC(C)[C@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)CCO1	779547492	VKXINQXZSLHHBF-CSPWOOARSA-N	291.347	1.994	10	20	CDCD	
CCC[C@H]1CN(C(=O)NCc2ccc(N)cc2)CCO1	1120677382	PGHYRVYYQJZDMK-AWEZNQCLSA-N	277.368	1.979	10	20	CDCD	
CCOc1ccc(CN[C@@]2(CCO)CCOC2)c(O)c1	775028956	HNIXAMQYUNVJGY-HNNXBMFYSA-N	281.352	1.422	10	20	CDCD	
C[C@@H](NC[C@H](O)COCC1CC1)c1c(O)cccc1F	886519053	MWBKVJNBJTXVSO-PWSUYJOCSA-N	283.343	1.969	10	20	CDCD	
C[C@@H](C(=O)NCC(F)(F)F)N(C)Cc1ccccc1O	269632238	MCCAELYGLPFUNJ-VIFPVBQESA-N	290.285	1.891	10	20	CDCD	
CCOc1ccc(CNC[C@@H](COC)OC)c(O)c1	781416945	UJXAIXNIYOHNSX-ZDUSSCGKSA-N	269.341	1.542	10	20	CDCD	
CC(C)C1(O)CN(Cc2cc(F)cc(F)c2O)C1	894970659	JUXIJUBMHPHGBG-UHFFFAOYSA-N	257.280	1.873	10	20	CDCD	
COc1ccc(CN2[C@H]3CC[C@H]2CC(O)C3)c(O)c1OC	891573148	MKYBOTUGNFTGCQ-RYUDHWBXSA-N	293.363	1.897	10	20	CDCD	
COC[C@H](NCc1ccc2c(c1)CCCO2)C(=O)OC	893952202	VJUHRYMCMQYNNM-ZDUSSCGKSA-N	279.336	1.289	10	20	CDCD	
C[C@@H](NC(=O)c1cc(O)cs1)c1nnnn1C1CC1	792521950	UIPSROITQAYMTI-ZCFIWIBFSA-N	279.325	1.266	10	20	CDCD	
CC1=CCN(CCNC(=O)c2cccc(O)c2O)CC1	790930784	IRWFAXIRLQFWSY-UHFFFAOYSA-N	276.336	1.480	10	20	CDCD	
COc1cccc(O)c1CNC[C@@H](CO)[C@H]1CCOC1	795584002	VDYNZBZUZVJZQW-RYUDHWBXSA-N	281.352	1.135	10	20	CDCD	
C[C@]1(C(N)=O)CCN(Cc2cc3c(cc2O)CCCC3)C1	794710641	HSFJVWRNJMKIEQ-KRWDZBQOSA-N	288.391	1.968	10	20	CDCD	
CN1CC2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3)C2)C1	1329277540	IYEXEFGLYOTLAN-HWKANZROSA-N	288.347	1.275	10	20	CDCD	
CO[C@@H]1CCC[C@@H]1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	1337213417	WDAJJADPFMJETI-IFUGULHKSA-N	293.363	1.960	10	20	CDCD	
C[C@H]1CCN(C(=O)C(=O)N(C)Cc2ccccc2O)C1	1348083355	VABGTYKEGWLNKP-NSHDSACASA-N	276.336	1.219	10	20	CDCD	
CN(CCC(=O)O)C(=O)c1ccc(N=NC(N)=O)cc1	1604143041	DTYLOMVZKHTONJ-UHFFFAOYSA-N	278.268	1.396	10	20	CDCD	
Cc1cc(C(=O)Nc2nc(C3=S=CC=C3)n[nH]2)cc(C)n1	1641156870	WQGCXLJHCAQHIR-UHFFFAOYSA-N	299.359	1.695	10	20	CDCD	
N[C@@H](Cc1ccncc1)C(=O)NCc1c(O)cccc1F	1580369223	TXUFHUIWLVDGDB-ZDUSSCGKSA-N	289.310	1.113	10	20	CDCD	
O=C(NCc1ccccc1O)[C@H]1NCCOc2ccccc21	1580722340	YFCCCYOHJANGFE-INIZCTEOSA-N	298.342	1.732	10	20	CDCD	
COc1ccc(N2CC[C@@H](CN[C@H](C)CC(=O)O)C2)cc1	1594101099	FXMYQYBDDPNOQP-OLZOCXBDSA-N	292.379	1.974	10	20	CDCD	
Cc1cccc(CN2CCN3C(=O)CC[C@@H]3C2)c1O	124578706	RQWLCAOKCUBXAQ-CYBMUJFWSA-N	260.337	1.507	10	20	CDCD	
COc1ccc(O)c(CNC[C@H]2CCCS2(=O)=O)c1	126960439	SVEDYRAJYIIARS-GFCCVEGCSA-N	285.365	1.068	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)C1(C(=O)O)CCCC1	911229627	HETDJIHVJXVWDC-UHFFFAOYSA-N	277.320	1.996	10	20	CDCD	
COc1ccc(O)c(CNC[C@H]2CCCNC2=O)c1	839196721	XRYWPPWVROSHBC-SNVBAGLBSA-N	264.325	1.017	10	20	CDCD	
CSC[C@](C)(O)CNCc1c(C)cccc1O	877055613	CUQMNBCVYWZCIJ-CYBMUJFWSA-N	255.383	1.904	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NCC(=O)NCC(C)C)c1	135728011	YPJWREFGCHBVER-LLVKDONJSA-N	280.368	1.824	10	20	CDCD	
CCN(Cc1cc(F)cc(F)c1O)[C@H]1CCNC1=O	894664708	YZPWOZPALBWHHL-NSHDSACASA-N	270.279	1.381	10	20	CDCD	
COc1cccc(CN[C@@H](C)CN2CCOCC2)c1O	36933133	ASXXWKFPXPCHDV-LBPRGKRZSA-N	280.368	1.211	10	20	CDCD	
CC[C@@H](C)C[C@@H](N)C(=O)NCc1ccccc1O	400752426	DHFCBDDCRXEHCG-ZYHUDNBSSA-N	250.342	1.772	10	20	CDCD	
CC(C)(C)N1CC[C@H](NC(=O)c2cccc(O)c2O)C1	710363607	GIBOKYVAYCZPOI-JTQLQIEISA-N	278.352	1.700	10	20	CDCD	
Cn1cnc2c(NCc3ccccc3O)ncnc21	720100680	XBKIBHOXRVDDTD-UHFFFAOYSA-N	255.281	1.681	10	20	CDCD	
C[C@@H](O)CN(C)C(=O)NCc1ccc(N(C)C)cc1	176972111	HNOWLWDZVXPTMC-LLVKDONJSA-N	265.357	1.275	10	20	CDCD	
CCS(=O)(=O)CCNCc1ccc(OC)c(C)c1	69173039	DVRFAQOPWMTFAY-UHFFFAOYSA-N	271.382	1.528	10	20	CDCD	
Cc1ccc(C(=O)NCCCCCCO)c(O)c1O	182990433	GTZHMAOIVBPAPA-UHFFFAOYSA-N	267.325	1.689	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CC[C@](C)(CN)C2)c1O	312687370	PZYJXJOMJLLUQX-OAHLLOKOSA-N	280.343	1.905	10	20	CDCD	
C[C@@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)CCO1	31728242	OAEBETJBESRVME-GFCCVEGCSA-N	277.368	1.683	10	20	CDCD	
CC[C@@H](C(=O)Nc1ccc(N)cc1)N1CCCC1=O	236980162	UWHQBNNOMWHSQQ-LBPRGKRZSA-N	261.325	1.608	10	20	CDCD	
Nc1ccc(CCNC(=O)CCn2ccccc2=O)cc1	238125119	QXNFZPZFFYCFKE-UHFFFAOYSA-N	285.347	1.180	10	20	CDCD	
C[C@@H]1OCC[C@@H]1C(=O)N1CCOc2cc(N(C)C)ccc21	92440247	FKIPFUPRWRQRTA-AAEUAGOBSA-N	290.363	1.903	10	20	CDCD	
CC(C)COCCC(=O)NCCc1ccc(N)cc1	236608896	SDCQTPQIIFUQHB-UHFFFAOYSA-N	264.369	1.990	10	20	CDCD	
Cc1c(CNC(=O)C(=O)NC2CC2)n(C)c2ccccc12	359786559	DNZKWTPCJGGPAZ-UHFFFAOYSA-N	285.347	1.382	10	20	CDCD	
CC(C)(C)C(=O)C(=O)NCCc1ccc(O)c(O)c1	271169982	MCAQEZZZAHVJSQ-UHFFFAOYSA-N	265.309	1.372	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H]2CCN3CCC[C@@H]3C2)c(O)c1O	378555494	DFKXDSCPCCZQRU-VXGBXAGGSA-N	290.363	1.763	10	20	CDCD	
Cc1cnc(COCC(=O)NCc2ccc(O)c(O)c2)o1	802783903	FSFFXKLOHDFSBC-UHFFFAOYSA-N	292.291	1.227	10	20	CDCD	
Cc1c([C@H](C)NC(=O)NCc2ccccc2O)cnn1C	299527376	RQDARBBAKPAXIS-JTQLQIEISA-N	288.351	1.995	10	20	CDCD	
Cn1cc(/C=C/C(=O)N2C[C@H](N)Cc3ccccc32)cn1	818019419	DVWSNLOBTYBUMF-PSKZRQQASA-N	282.347	1.350	10	20	CDCD	
COC[C@@H](C)[C@@H](C)C(=O)NCc1cccc(OC)c1O	812496049	XBHFPBNABZZYOJ-GHMZBOCLSA-N	281.352	1.936	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@H]1CCCc2nn[nH]c21	816889263	RHOQCDJVCDODPJ-NSHDSACASA-N	286.335	1.589	10	20	CDCD	
Cc1cc(CN2C[C@H](C)O[C@H](CO)C2)ccc1N(C)C	815100861	WAPHEXWXUOQGSC-ZFWWWQNUSA-N	278.396	1.643	10	20	CDCD	
CCO[C@@H]1COC[C@H]1N[C@H](C)c1cc(OC)ccc1O	825197582	ZSRBOVOXAOXPRX-WDBKCZKBSA-N	281.352	1.855	10	20	CDCD	
C[C@@H](CNCc1ccc(N2CCOCC2)c(F)c1)N(C)C	824988658	QNXOZPUAXKHMRG-ZDUSSCGKSA-N	295.402	1.702	10	20	CDCD	
COCCOC[C@@H](C)NC(=O)c1c(F)ccc(O)c1O	826095319	KHLDECJNSKGOMG-MRVPVSSYSA-N	287.287	1.018	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)NC[C@H]2CCN2C)c1	903318012	OGCQQGQMICWKMR-ZYHUDNBSSA-N	278.352	1.534	10	20	CDCD	
COC(=O)[C@H]1CCN(C(=O)c2c(F)ccc(O)c2O)[C@H]1C	830082750	QFYHVPYQICZSGL-YUMQZZPRSA-N	297.282	1.261	10	20	CDCD	
CO[C@H](C)C(=O)NCc1ccc(N(C)C)cc1C	734405040	RGJXTWBLQMPFIU-LLVKDONJSA-N	250.342	1.712	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@H]2CCCCN2C)cc1F	732279195	KCAOARBLUOGMGR-OAHLLOKOSA-N	293.386	1.992	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@H]2CCC[C@@H](N)C2)c1O	841059162	ZZFURLNAFYKLOL-MNOVXSKESA-N	295.339	1.669	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)c1cc2n(n1)CCC2	910945772	YJMHOGUQGVZCCF-UHFFFAOYSA-N	273.292	1.171	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNC2(C)CCNCC2)c1O	841065328	NXTCGVFQQWOEAU-UHFFFAOYSA-N	295.339	1.541	10	20	CDCD	
C[C@H](NC(=O)N1CCCNCC1)c1ccc(N(C)C)cc1	841880534	BXMHMXAXZARBFE-ZDUSSCGKSA-N	290.411	1.819	10	20	CDCD	
O=[N+]([O-])c1cc(Cl)cc(CN[C@H]2CCNC2)c1O	841045529	XRVSLLSDQZPREZ-VIFPVBQESA-N	271.704	1.405	10	20	CDCD	
COC1CC(C(=O)NCc2ccc(O)cc2O)C1	910943894	PWUGFVWBAFUIOH-UHFFFAOYSA-N	251.282	1.139	10	20	CDCD	
CCN1C[C@@H](CN[C@@H](C)c2cccc(OC)c2O)CC1=O	846208332	IGPFCDDAPBODAV-NWDGAFQWSA-N	292.379	1.920	10	20	CDCD	
C[C@H]1CN(C(=O)c2cccc(O)c2O)CC2(CCC2)O1	844100160	GOFPVZPBVMOKMV-JTQLQIEISA-N	277.320	1.881	10	20	CDCD	
NC[C@@H]1CN(Cc2cccc(F)c2O)CCCO1	841101520	WTOQCBQDJHJXRW-LLVKDONJSA-N	254.305	1.081	10	20	CDCD	
COC(=O)C[C@@H](C)CC(=O)NCc1ccc(O)c(O)c1	847590664	DALXWGMSWWNXSK-VIFPVBQESA-N	281.308	1.303	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@H]2CCC(=O)C2)cc1	843757614	WIKQIIYBPXNNGH-GFCCVEGCSA-N	260.337	1.738	10	20	CDCD	
COc1ccc(N(C)CCN(C)C(=O)[C@@H]2CCCO2)cc1	844851876	JUUIMAKEWNWYHI-HNNXBMFYSA-N	292.379	1.769	10	20	CDCD	
CN(Cc1ccc(N2CCCCC2)cc1)C[C@H](O)CO	929185776	ZDLCPQFPOCBHDP-INIZCTEOSA-N	278.396	1.462	10	20	CDCD	
COc1cc(COC(=O)c2cccc(O)c2O)ccn1	758549169	ZWYUPMSRGAJFES-UHFFFAOYSA-N	275.260	1.858	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2COC[C@@H]2C)c1	926002974	FDSVMUXAKVWHBS-KWBADKCTSA-N	294.351	1.796	10	20	CDCD	
NC(=O)c1ccc(CNC(=O)NCc2ccccc2O)o1	752021501	QBJITPMKNYBMSP-UHFFFAOYSA-N	289.291	1.084	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@](C)(OC)C(=O)O)c1	852942447	IUKRKPLFCJCNRH-RMLUDKJBSA-N	297.307	1.068	10	20	CDCD	
NCCCC(=O)NCc1ccc(N2CCC(O)CC2)cc1	852868264	BPTKKVGJTWCJNS-UHFFFAOYSA-N	291.395	1.003	10	20	CDCD	
C[C@@H](NC[C@@]1(O)CCOC1)c1cc(F)cc(F)c1O	756768393	DEIXCOOVIVZLKU-OQPBUACISA-N	273.279	1.472	10	20	CDCD	
CCCOc1cncc(-c2ccn(CC(=O)O)c(=O)c2)c1	864610074	JNWMWSHIYXRAAW-UHFFFAOYSA-N	288.303	1.784	10	20	CDCD	
CC[C@H](C(=O)NCc1cc(C)ccc1O)C(=O)OC	862757305	OJXJZONUSXITDR-LLVKDONJSA-N	265.309	1.516	10	20	CDCD	
Cc1cccc(O)c1CNc1cnn(CC(=O)N(C)C)c1	877169924	HZXLYEQYSOHXFF-UHFFFAOYSA-N	288.351	1.597	10	20	CDCD	
C[C@@H](NCC[C@H]1CCS(=O)(=O)C1)c1ccccc1O	879649625	ZNMHAYLKFDOOPH-NEPJUHHUSA-N	283.393	1.868	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2CCCOC[C@@H]2C)c1O	774904257	FGCJTDWHFDMKDQ-JTQLQIEISA-N	296.323	1.920	10	20	CDCD	
Cc1cc(CN2C[C@@H](O)C[C@]2(C)CO)ccc1N(C)C	878982272	YPTJDKUVAWXTSM-GOEBONIOSA-N	278.396	1.379	10	20	CDCD	
CN1CCN(c2ccc(CNCc3cc[nH]n3)cc2)CC1	771829149	HMZWPMVRTVYDRD-UHFFFAOYSA-N	285.395	1.451	10	20	CDCD	
Cn1nccc1CCn1cc(COc2ccc(N)cc2)nn1	881340946	VJQLOTWPUOSWJE-UHFFFAOYSA-N	298.350	1.416	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](C)O	270747388	BLQZXHPRTZVLNH-NSHDSACASA-N	250.342	1.482	10	20	CDCD	
CC[C@@H](O)[C@@H](C)C(=O)NCc1ccc(N(C)C)cc1	899982179	AHSGOAAOYLTKDQ-BXUZGUMPSA-N	264.369	1.776	10	20	CDCD	
CC1(C)CNC(=O)[C@H]1NCc1ccc2c(c1)CCCO2	895433375	LMJXOPLBYBEMBY-CQSZACIVSA-N	274.364	1.626	10	20	CDCD	
COc1ccc(CNC[C@H]2CCOC2)c(O)c1OC	892567745	VKUCIZLWHPPTKD-SNVBAGLBSA-N	267.325	1.536	10	20	CDCD	
CO[C@@H]1CCC[C@@H]1CNC(=O)c1cccc(O)c1O	790916524	TVFCJOXPTJIWFZ-BXKDBHETSA-N	265.309	1.643	10	20	CDCD	
O=C(NCc1ccccc1O)[C@H]1CC(c2cccnc2)=NO1	790793381	AJNOBOTZYMVVKP-OAHLLOKOSA-N	297.314	1.597	10	20	CDCD	
COc1ccc(CNC(=O)[C@@H](C)n2cccn2)c(O)c1	794382318	VMADZSQZJOMWCO-SNVBAGLBSA-N	275.308	1.475	10	20	CDCD	
CC[C@@H](C)n1nnnc1N(C)Cc1ccccc1O	1351038454	KNMJYNCCVHZGEP-SNVBAGLBSA-N	261.329	1.986	10	20	CDCD	
CN1N=C(c2nc(Cc3ccc(N)cc3)no2)CCC1=O	1326512096	AAECCZULWGQWRQ-UHFFFAOYSA-N	285.307	1.199	10	20	CDCD	
COC[C@H]1CCCCN1C(=O)NCc1ccc(N)cc1	1262603595	NRPRUHMASGHYJK-CQSZACIVSA-N	277.368	1.979	10	20	CDCD	
C[C@@H]1[C@@H](C(=O)NCc2ccc(O)cc2O)C1(F)F	1347695362	NPBCXAOJBOKHLJ-LDWIPMOCSA-N	257.236	1.615	10	20	CDCD	
COC(=O)[C@@H]1CC[C@H](C(=O)NCc2cccc(O)c2O)C1	1347234333	MYMFIECBZULVDB-VHSXEESVSA-N	293.319	1.303	10	20	CDCD	
Cc1ccc(C(=O)N2CCC(C)(C(=O)O)CC2)c(O)c1O	1594344993	VHXCGNZYLSJFBS-UHFFFAOYSA-N	293.319	1.733	10	20	CDCD	
O=C(O)[C@]1(NCc2ccc3c(c2)CCO3)CC[C@@H]2C[C@H]21	1777600135	JAKQKQKUNNVSFL-KFNAQCHYSA-N	273.332	1.964	10	20	CDCD	
C[C@H](CNCc1ccc(N(C)C)cc1)[C@@H](F)C(=O)O	1776425465	WWGLFDSCTZQTKA-ZWNOBZJWSA-N	268.332	1.901	10	20	CDCD	
C[C@H](NCc1cc2c(cc1O)OCO2)[C@@H]1CCOC1	135204675	VKVIYUQZRFAUCM-VHSXEESVSA-N	265.309	1.636	10	20	CDCD	
C[C@H](NC(=O)Cc1ccc(N)cc1)[C@H]1CCCNC1	832497485	HBYOOVNWZROXMC-AAEUAGOBSA-N	261.369	1.316	10	20	CDCD	
CCc1cccc(CNC[C@@H]2CCCNC2=O)c1O	848916372	GSKKSKGOAFVBFT-ZDUSSCGKSA-N	262.353	1.570	10	20	CDCD	
C[C@@H](NCCNC(=O)C1CC1)c1ccc(N(C)C)cc1	128310625	VREOYWROIPXGRA-GFCCVEGCSA-N	275.396	1.929	10	20	CDCD	
CO[C@@]1(C(=O)O)CCN(Cc2ccc(N(C)C)cc2)C1	703783047	HKUUNZIIPXPQTI-HNNXBMFYSA-N	278.352	1.428	10	20	CDCD	
COC[C@](C)(CO)NCc1cc(F)cc(F)c1O	708394343	XEUSANPQTINOOR-LBPRGKRZSA-N	261.268	1.157	10	20	CDCD	
CCc1cccc(CNC(C)(C)C(=O)OC)c1O	691450206	XRZMAIHQBCNYES-UHFFFAOYSA-N	251.326	1.996	10	20	CDCD	
COC[C@@H]1CN(Cc2cc(C)c(C)cc2O)CCO1	172921821	NCKKVPPBYNTFRO-AWEZNQCLSA-N	265.353	1.856	10	20	CDCD	
CN(CC(=O)O)Cc1ccc(N2CCC(O)CC2)cc1	108245387	SLPMZOJFDLBJQX-UHFFFAOYSA-N	278.352	1.164	10	20	CDCD	
CCc1cc(C(=O)NCCc2ccc(O)c(O)c2)[nH]n1	122039138	UWJXHTFODFYSGD-UHFFFAOYSA-N	275.308	1.356	10	20	CDCD	
COc1cccc(CNC(=O)NCCN(C)C2CC2)c1O	74200822	WMMNTRWKOPVPHQ-UHFFFAOYSA-N	293.367	1.294	10	20	CDCD	
C[C@@H](NC(=O)Cc1ccc(N)cc1)c1nnc2n1CCC2	37004892	IDZVZDLCKJXIMZ-SNVBAGLBSA-N	285.351	1.226	10	20	CDCD	
CCOC(=O)N1CCN(Cc2cc(OC)ccc2O)CC1	183465855	ZVGIBJVMGHVZKK-UHFFFAOYSA-N	294.351	1.675	10	20	CDCD	
CCOCC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	183419487	RKYMUJRWMIOUCB-VIFPVBQESA-N	253.298	1.182	10	20	CDCD	
Cc1ccc(C(=O)NC[C@H](C)N(C)C2CC2)c(O)c1O	182319645	YEYITQIQLKBTFK-JTQLQIEISA-N	278.352	1.619	10	20	CDCD	
O=C1NCCCC[C@@H]1NCc1cc(Cl)ccc1O	36977319	SARAVZZLRAVEEK-NSHDSACASA-N	268.744	1.804	10	20	CDCD	
COCCN1CC[C@@H](NCc2c(O)cccc2Cl)C1	264932762	BMIRKQGTACWBBG-LLVKDONJSA-N	284.787	1.856	10	20	CDCD	
CC(=O)N[C@@H]1CCN(Cc2cc(F)cc(C(C)=O)c2O)C1	228301340	PVVMVUQLJHNTLO-CYBMUJFWSA-N	294.326	1.444	10	20	CDCD	
C[C@H](NCCNC(=O)C1CC1)c1ccc(F)c(F)c1O	191184537	JYXVXSGQEWETEV-QMMMGPOBSA-N	284.306	1.847	10	20	CDCD	
C[C@@H](N[C@H]1CC(=O)N(C)C1)c1cc([N+](=O)[O-])ccc1O	273596438	QUWWAZKRBJKKTG-BDAKNGLRSA-N	279.296	1.182	10	20	CDCD	
C[C@@H](NC[C@H]1CN(C)CCN1C)c1ccc(F)c(F)c1O	276983163	WIXGYXPDVYKMQS-MNOVXSKESA-N	299.365	1.567	10	20	CDCD	
CN(C)c1ccc(CN2C(=O)[C@@H]3CCCN3C2=O)cc1	272134122	SBYQOTITDCYVFB-ZDUSSCGKSA-N	273.336	1.679	10	20	CDCD	
Cc1ccc(C(=O)N2CC[C@@H]([C@@H](C)O)C2)c(O)c1O	272954010	IRKVCCCWXVXYDK-NXEZZACHSA-N	265.309	1.249	10	20	CDCD	
OCc1cn([C@H]2CCCN(Cc3ccccc3O)C2)nn1	293541717	CVQXXUGAURGAKX-AWEZNQCLSA-N	288.351	1.313	10	20	CDCD	
CCOC(=O)C[C@H](OC(=O)c1cccc(O)c1O)C(C)=O	805533037	WZTACAMBXQSDDV-NSHDSACASA-N	296.275	1.165	10	20	CDCD	
Cc1ccc(C(=O)N[C@H]2CC[C@@H](CO)C2)c(O)c1O	295786234	AIZPBYNHZKLGQU-ZJUUUORDSA-N	265.309	1.297	10	20	CDCD	
Cn1cnc(CNCc2ccc(N3CCOCC3)cc2)c1	808382637	GEKTYDJLEKEOMO-UHFFFAOYSA-N	286.379	1.547	10	20	CDCD	
Cc1ccc([C@@H](C)NCC(=O)N2CCNCC2)c(O)c1C	817945684	JHOSCWCODOERBW-CYBMUJFWSA-N	291.395	1.091	10	20	CDCD	
CCCCN1CC(=O)N[C@H]1c1cc(C(=O)OC)ccc1O	726797012	QUNROURXFCEZMX-CQSZACIVSA-N	292.335	1.409	10	20	CDCD	
COCCOC[C@H](O)CN[C@H](C)c1ccc(N(C)C)cc1	828960314	TXIVPMHYDGSNAJ-CZUORRHYSA-N	296.411	1.427	10	20	CDCD	
COC[C@H](OC)C(=O)NCc1ccc(N(C)C)cc1C	827955967	LPUOSUPUUUAHMU-AWEZNQCLSA-N	280.368	1.339	10	20	CDCD	
CN1CCCc2cc(CNC(=O)C3=COCC3)ccc21	729262465	SVMDPLILWDIAJN-UHFFFAOYSA-N	272.348	1.989	10	20	CDCD	
CCOc1ccc(CN[C@@H](CC)C(=O)NC)c(O)c1	825316545	PPQHZWVSZZJSPF-LBPRGKRZSA-N	266.341	1.405	10	20	CDCD	
O=C(CCNC(=O)c1ccco1)NCc1ccccc1O	748355420	XRYDYDOWWOBCND-UHFFFAOYSA-N	288.303	1.422	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)c1ocnc1C1CC1	910943383	BGJXNRRWYGKVDE-UHFFFAOYSA-N	274.276	1.893	10	20	CDCD	
CCN(CCNC(=O)NCCc1ccc(N)cc1)C(C)C	841776536	KCTGCONZHVVJSB-UHFFFAOYSA-N	292.427	1.841	10	20	CDCD	
CCc1cccc(CN[C@H](C)[C@@H]2CN(C)CCO2)c1O	848900263	ZOKGRALUFQSNRF-DOMZBBRYSA-N	278.396	1.763	10	20	CDCD	
Cn1cc([C@@H]2C[C@H]2C(=O)NCc2ccc(O)cc2O)cn1	910945390	UUBJUJGBRIFPHO-QWHCGFSZSA-N	287.319	1.251	10	20	CDCD	
CCOc1ccc(CN2C[C@@H](CN)C[C@@H]2C)c(O)c1	843057531	JLPTXSNSWAKTMP-NWDGAFQWSA-N	264.369	1.960	10	20	CDCD	
COc1ccc(O)c(CN2[C@@H](C)CNC[C@H]2C)c1	843066398	WKAYLHUGPYFKJT-PHIMTYICSA-N	250.342	1.583	10	20	CDCD	
CN1CC[C@@H]1CNCc1cc(Cl)cc([N+](=O)[O-])c1O	922574920	CERLCTOEZQQCKD-SNVBAGLBSA-N	285.731	1.748	10	20	CDCD	
CN(Cc1ccc(N2CCOCC2)cc1)C[C@H]1CCNC1	844220567	IGGXXBDBWWUEQX-INIZCTEOSA-N	289.423	1.565	10	20	CDCD	
CC[C@@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)OC	759588146	JFVNWKUJDFRMLS-HOSRBBHYSA-N	280.276	1.606	10	20	CDCD	
Cc1noc(CCCOC(=O)c2cccc(O)c2O)n1	758573356	RCMBPFAEBFRKCP-UHFFFAOYSA-N	278.264	1.579	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)NC/C=C/CO	853749303	OTFLCOCNJSCVSZ-SNAWJCMRSA-N	277.368	1.409	10	20	CDCD	
CC(=O)NCCCNC(=O)NCc1cc(C)ccc1O	858119322	HLLQNWJMXAPIRA-UHFFFAOYSA-N	279.340	1.026	10	20	CDCD	
C[C@H]1[C@H](CO)CCCN1C(=O)c1cc(O)cs1	854950411	JYLFPODBGJIQOE-IUCAKERBSA-N	255.339	1.687	10	20	CDCD	
COc1ccc(CNC(=O)C2CSC2)c(O)c1	867956078	MJIHTMSIJRODMC-UHFFFAOYSA-N	253.323	1.380	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)c2nnc(C)s2)c1	862754381	CKUHQRUXCAISLP-UHFFFAOYSA-N	263.322	1.791	10	20	CDCD	
O=C(OC[C@H]1CC2(CC2)C(=O)O1)c1cc(O)cs1	763198998	SYFVFKJJHGXLHD-MRVPVSSYSA-N	268.290	1.706	10	20	CDCD	
CO[C@]1(CNCc2ccc(N(C)C)c(F)c2)CCOC1	763481004	RTDFIKKJCWMYPH-HNNXBMFYSA-N	282.359	1.787	10	20	CDCD	
CN(C)c1cc(F)c(CN2C[C@H]3CNC[C@@H]3C2)cc1F	862253162	LQISFTGACUQTIF-VXGBXAGGSA-N	281.350	1.682	10	20	CDCD	
CN(C)c1cc(F)c(CN2CCCN(C=O)CC2)cc1F	862417635	FFRRVJSWHKKLTE-UHFFFAOYSA-N	297.349	1.695	10	20	CDCD	
O=C(O)[C@H]1C[C@H](NCc2cc(Cl)ccc2O)C1	874054031	VEYAWKLUTNGCJU-GVJMRKKJSA-N	255.701	1.998	10	20	CDCD	
CN(C)c1ccc(CNC[C@@](C)(CC(=O)O)C(=O)O)cc1	1119550395	GEGFIXJBAITCBG-OAHLLOKOSA-N	294.351	1.408	10	20	CDCD	
Nc1ccc(NC(=O)N2CCO[C@@H](C(F)F)C2)cc1	873329370	YQDWIZAJOQGGCT-SNVBAGLBSA-N	271.267	1.767	10	20	CDCD	
CCN[C@@H](C)C(=O)N[C@H](C)c1cc(OC)ccc1O	876878506	FAEJKQJWWNNQJL-ZJUUUORDSA-N	266.341	1.576	10	20	CDCD	
C[C@H](N[C@H](C)c1ccccc1O)C(=O)NC[C@H]1CCCO1	879649785	USTVUZOWVOLHDV-FRRDWIJNSA-N	292.379	1.727	10	20	CDCD	
COCC1(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)CC1	773739077	AFMSBWHJMDOMDR-SNVBAGLBSA-N	279.336	1.572	10	20	CDCD	
CCOCC[C@H](O)CN[C@H](C)c1ccccc1O	879649568	WHIBZYLZOQGGRX-NEPJUHHUSA-N	253.342	1.830	10	20	CDCD	
CCOC(=O)CN[C@@H](C)c1ccc(N2CCOCC2)cc1	775256152	WNXHTNDLNLPIPV-ZDUSSCGKSA-N	292.379	1.737	10	20	CDCD	
CC[C@H](CNS(C)(=O)=O)NCc1c(C)cccc1O	877562611	XRDLRQCRZRYZRT-LLVKDONJSA-N	286.397	1.118	10	20	CDCD	
Cc1c(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)nnn1C	772999065	LAWQKFWAZMDCDP-JTQLQIEISA-N	287.367	1.681	10	20	CDCD	
CN(CCCF)C(=O)C(=O)Nc1ccc(N)cc1	887049866	PZAUFANMFUVIPR-UHFFFAOYSA-N	253.277	1.025	10	20	CDCD	
Cc1cc(O)c(CNCCN2CCNC2=O)cc1C	886323603	AZCOXMMKJYSAQV-UHFFFAOYSA-N	263.341	1.124	10	20	CDCD	
Cc1ccc(C(=O)N2CCC[C@H]([C@@H](C)O)C2)c(O)c1O	780985817	HIOYKKMQTRZQIK-MNOVXSKESA-N	279.336	1.639	10	20	CDCD	
C[C@]1(CO)C[C@H](O)CN1Cc1cccc(Cl)c1O	895327969	FONAWCWXPPWRDN-GXFFZTMASA-N	271.744	1.363	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NCCC(=O)O)cc1	84949207	FMWJQJYERGVVQC-UHFFFAOYSA-N	265.313	1.027	10	20	CDCD	
COC(=O)N1CC(C)(NCc2cc(C)c(C)cc2O)C1	894542573	NGGCCOSLYQVDDX-UHFFFAOYSA-N	278.352	1.939	10	20	CDCD	
COc1ccc(CN2C[C@H](O)C(C)(C)C2)c(O)c1OC	894125467	FLXHMOOMBFJFKI-LBPRGKRZSA-N	281.352	1.612	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)NCCC(C)(C)N	891564173	LTHTZDIADAWPBD-UHFFFAOYSA-N	292.427	1.988	10	20	CDCD	
COc1ccc(CNS(=O)(=O)c2cccnc2)c(O)c1	795357998	JBVAECWSPGTRSX-UHFFFAOYSA-N	294.332	1.274	10	20	CDCD	
O=C(C[C@H]1CCCOC1)OCC(=O)c1ccc(O)c(O)c1	795902145	MSRJILLXPYEWQK-SNVBAGLBSA-N	294.303	1.640	10	20	CDCD	
COc1ccc(CNC(=O)CC2(O)CCCC2)c(O)c1	794381216	MPNZKBZPZZGDAU-UHFFFAOYSA-N	279.336	1.712	10	20	CDCD	
COc1cccc(CN2C[C@H](C)S(=O)[C@@H](C)C2)c1O	792193455	UULCJJLWFNEPID-QWRGUYRKSA-N	283.393	1.742	10	20	CDCD	
COc1ccc(CNC(=O)CC[C@H](C)OC)c(O)c1	794378818	WFXPSTBOHGEPAM-JTQLQIEISA-N	267.325	1.832	10	20	CDCD	
COc1cccc(O)c1CN[C@H]1CCN(C)[C@H](C)C1	742375016	KUHPGLPMUBVXQN-NEPJUHHUSA-N	264.369	1.973	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)c1cscn1	768900712	NUXKMQNFZWVMMS-UHFFFAOYSA-N	264.306	1.527	10	20	CDCD	
CO[C@H]1CCN(C(=O)c2c(F)ccc(O)c2O)C[C@@H]1C	1324597958	UIBHQFARUBCXAE-KWQFWETISA-N	283.299	1.734	10	20	CDCD	
CONC(=O)C1CCN(Cc2ccc(N)cc2)CC1	1337837789	FWYCTFZNMWZAIK-UHFFFAOYSA-N	263.341	1.158	10	20	CDCD	
CC[C@@H](CCO)CNC(=O)NCc1ccc(N)cc1	1338793475	QDDPQMVKDHNSGC-NSHDSACASA-N	265.357	1.477	10	20	CDCD	
COC(=O)C1(CNCc2cc(F)cc(F)c2O)CC1	1338262480	HRQPPQPYHWRYQB-UHFFFAOYSA-N	271.263	1.713	10	20	CDCD	
Cc1noc(CCCC(=O)NCc2ccc(N)cc2)n1	1346210822	ZUTDKDDPSVERON-UHFFFAOYSA-N	274.324	1.599	10	20	CDCD	
COc1cc(Cl)cc(CN2C[C@@H]3CNC[C@H]3C2)c1O	228667891	WBZAGMAMXTZQFL-QWRGUYRKSA-N	282.771	1.705	10	20	CDCD	
CN1CCC[C@@H](Sc2ncc(C(=O)O)s2)C1=O	1598592400	DVLZUALLLKMSDJ-ZCFIWIBFSA-N	272.351	1.554	10	20	CDCD	
O=C1NC(=S)S/C1=C\c1ccc(C(=O)O)s1	1777698902	KWEWLNYQVGLDNW-UTCJRWHESA-N	271.344	1.935	10	20	CDCD	
CN[C@@H]1CCCN(Cc2c(O)cccc2OC)C1	843048544	GJSWEVPIQSVGPR-LLVKDONJSA-N	250.342	1.585	10	20	CDCD	
COc1cccc(CN(C)[C@@H]2CCC(=O)N(C)C2)c1O	862428939	XMPWQLTVXPEMEP-GFCCVEGCSA-N	278.352	1.453	10	20	CDCD	
CC[C@@H](NC[C@@H]1CCS(=O)(=O)C1)c1ccccc1O	38082858	QADMBKSMOCYTPS-WCQYABFASA-N	283.393	1.868	10	20	CDCD	
C[C@@H](NCC(C)(C)OCCO)c1ccc(F)cc1O	388558111	ZWENLDNGJPBTIL-SNVBAGLBSA-N	271.332	1.969	10	20	CDCD	
COC(=O)CN(C)Cc1cccc(Br)c1O	179395455	XBKLEXJJCVXZJE-UHFFFAOYSA-N	288.141	1.760	10	20	CDCD	
C[C@@H](O)CN[C@H](C)c1ccc(N2CCOCC2)cc1	179582544	GXVMXWIGUWVDHE-CHWSQXEVSA-N	264.369	1.555	10	20	CDCD	
Cc1ccc([C@H](C)NC[C@]2(O)CCOC2)c(O)c1	186178303	ZHKCYZROLNUMLE-SMDDNHRTSA-N	251.326	1.503	10	20	CDCD	
COC(=O)c1ccccc1N(C)C(=O)/C=C\c1cnn(C)c1	314359070	WEGPYKNMESTKSH-HJWRWDBZSA-N	299.330	1.883	10	20	CDCD	
C[C@@H](CCCO)NC(=O)NCc1ccc(N(C)C)c(F)c1	88538041	XAEGGCXAYMBVTI-NSHDSACASA-N	297.374	1.852	10	20	CDCD	
Cc1cccc(CN2CCOC[C@@]23CCOC3)c1O	195013556	BYWVVWRTHJHGNE-HNNXBMFYSA-N	263.337	1.692	10	20	CDCD	
CCOc1cccc(CN(CCO)CCOC)c1O	93005792	OZWZPCGYVFFRIO-UHFFFAOYSA-N	269.341	1.232	10	20	CDCD	
Cc1nn(C)cc1[C@H](C)NC(=O)Cc1ccc(N)cc1	237659533	WDAUZFQYVWIVSS-JTQLQIEISA-N	272.352	1.731	10	20	CDCD	
CC(C)(CCO)NCc1cc([N+](=O)[O-])ccc1O	266187522	XMQMXYSAUXHPOS-UHFFFAOYSA-N	254.286	1.551	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNCCC[C@@H](C)CO)c1O	278487406	KSMLRGLJEYJEBB-SNVBAGLBSA-N	298.339	1.807	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C1(C)COC1	274885695	BSMIODDMNLGWGT-VIFPVBQESA-N	265.309	1.182	10	20	CDCD	
CCOC(=O)CN(C(=O)c1ccc(C)c(O)c1O)C(C)C	272730286	GVGDHOWTNMACRH-UHFFFAOYSA-N	295.335	1.820	10	20	CDCD	
Cc1ncc(/C=C/C(=O)N2CCn3nccc32)s1	375590086	FQHHLMGRUXZWET-NSCUHMNNSA-N	260.322	1.708	10	20	CDCD	
Cc1nc2n(n1)CCN(Cc1cccc(Cl)c1O)C2	271881462	VICCYVOFLCGRLN-UHFFFAOYSA-N	278.743	1.961	10	20	CDCD	
C[C@H](C(=O)NCc1ccccc1O)N(C)CC(F)(F)F	279710303	ASGNHYDZNROLGH-SECBINFHSA-N	290.285	1.891	10	20	CDCD	
C[C@H](NC[C@H](CO)[C@H]1CCOC1)c1ccccc1O	280923882	RHGLFDDILWXPAQ-RWMBFGLXSA-N	265.353	1.688	10	20	CDCD	
C[C@@H]1[C@H](N2CCOCC2)CCN1Cc1ccccc1O	291686640	XTRCMBQDXOGCTA-UKRRQHHQSA-N	276.380	1.687	10	20	CDCD	
Cc1cc(Cl)cc([C@@H](C)NC[C@@H](O)CN(C)C)c1O	808693999	XHULROOXHYNYJO-ZYHUDNBSSA-N	286.803	1.927	10	20	CDCD	
C[C@@H](CN[C@H]1CCc2cccc(O)c21)N1CCN(C)CC1	297933956	XVAWBPZJBLATDO-ZFWWWQNUSA-N	289.423	1.605	10	20	CDCD	
CNC(=O)[C@@H]1CN(Cc2ccc(N(C)C)c(C)c2)CCO1	294780824	ZWIWZVKARGLMCG-HNNXBMFYSA-N	291.395	1.008	10	20	CDCD	
CCCNS(=O)(=O)N[C@@H](C)c1ccc(N(C)C)cc1	813692733	KJCKWCIVYKHCMI-NSHDSACASA-N	285.413	1.648	10	20	CDCD	
CC1(C)CN(Cc2cc(F)ccc2O)C[C@@H](CO)O1	817412790	OZKSTDKJBDOTTE-LBPRGKRZSA-N	269.316	1.503	10	20	CDCD	
O=C(O)CCNC(=O)NCc1ccc(N2CC=CC2)cc1	819490235	ROFUQFAUIHBCJB-UHFFFAOYSA-N	289.335	1.337	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)[C@@H](F)C(F)(F)F	827613055	DNXDNPINESRUBC-MRVPVSSYSA-N	267.178	1.614	10	20	CDCD	
O=C(NCCc1nccs1)NCc1ccccc1O	726250725	BLEAWBHMKHOOJL-UHFFFAOYSA-N	277.349	1.891	10	20	CDCD	
CCOc1ccc(CN(C)C2(CO)CC2)c(O)c1	827904216	WNOYOGPMPBBXNA-UHFFFAOYSA-N	251.326	1.748	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2C[C@@H](F)C[C@H]2C(=O)O)c1O	903615956	AOSMMLLQBMFUGL-JQWIXIFHSA-N	299.273	1.731	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)OCCNC(=O)C1CC1	909088657	LBKBINGOGUBVDL-QHHAFSJGSA-N	291.303	1.180	10	20	CDCD	
COc1cccc(CNC(=O)[C@@]2(C)CCCCO2)c1O	837485594	OLWJCBOFPZVWGN-OAHLLOKOSA-N	279.336	1.976	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CC[C@@H](F)C1	830467237	JKESOBRDTGYOLP-CQSZACIVSA-N	293.386	1.755	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N[C@@H]2CCCNC2)cc1	841654588	NSHAWPKNUJIZGA-CYBMUJFWSA-N	276.384	1.304	10	20	CDCD	
Nc1ccc(CCNC(=O)NC[C@H]2CCCOC2)cc1	841723868	BCNQHUMNOHBKAJ-CYBMUJFWSA-N	277.368	1.537	10	20	CDCD	
COc1cccc(O)c1CN[C@H]1CCCNCC1	841056736	CLMVGTCYDRCUPO-NSHDSACASA-N	250.342	1.633	10	20	CDCD	
COc1cc(Cl)cc(CNC2CCNCC2)c1O	841026522	GRGHBZPSKFTLSZ-UHFFFAOYSA-N	270.760	1.896	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)N[C@@H](C)c2nc(C)no2)c1	858283056	XCHYMWRDUGNKLD-VIFPVBQESA-N	290.323	1.952	10	20	CDCD	
Cn1c(Cl)cnc1/C=C1/SC(=S)NC1=O	752873406	FASIHJUURUNTBJ-DUXPYHPUSA-N	259.743	1.562	10	20	CDCD	
CN(C)c1cc(F)c(CNCCC[S@](C)=O)cc1F	858140087	ZNYGEQVWXXWGLM-IBGZPJMESA-N	290.379	1.889	10	20	CDCD	
Cn1ncc(C(=O)NCc2ccccc2O)c1Cl	857471639	GHQYVSKLXDGWID-UHFFFAOYSA-N	265.700	1.709	10	20	CDCD	
COC[C@@]1(C(=O)O)CCN(Cc2cccc(F)c2O)C1	874043503	TYBNXVDYVKZQFG-CQSZACIVSA-N	283.299	1.454	10	20	CDCD	
COC(=O)[C@@]1(F)CCN(Cc2ccc(C)cc2O)C1	876794771	DWNBMIQQYOZCSZ-CQSZACIVSA-N	267.300	1.788	10	20	CDCD	
CCOc1ccc(O)c(CNC[C@H](C)CNC)c1	1118020439	WAKNNXZSAYBRDV-LLVKDONJSA-N	252.358	1.736	10	20	CDCD	
CO[C@H](C(=O)N(C)c1ccc(N)cc1)c1cnn(C)c1	877075568	HAGITVIMBVAPQQ-ZDUSSCGKSA-N	274.324	1.353	10	20	CDCD	
CSC[C@@H](NCc1ccc2c(c1)CCCO2)C(=O)O	1120002420	VKOLDSGVGCLVDI-GFCCVEGCSA-N	281.377	1.917	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@H](CF)C1	1120328503	SMHMACYOZXLLHF-LLVKDONJSA-N	294.326	1.169	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCC[C@@H]1C1OCCO1	888441475	IXKZFVPVLFAWLU-SECBINFHSA-N	269.322	1.431	10	20	CDCD	
C[C@@H](NCC1(CO)CCOCC1)c1ccc(F)cc1O	186149614	MLSFDMFMUUHGGB-LLVKDONJSA-N	283.343	1.971	10	20	CDCD	
CC[C@H](C)C(=O)OCC(=O)c1ccc(O)c(O)c1	782256504	XUTVWTPZZWKNCW-QMMMGPOBSA-N	252.266	1.870	10	20	CDCD	
COCCONC(=O)NCc1c(O)ccc2c1CCCC2	789349210	MABCXDXZIMWWSC-UHFFFAOYSA-N	294.351	1.648	10	20	CDCD	
CN(CCN1CCCC1=O)Cc1ccc(N(C)C)cc1	97153207	AHAGGOVHUILTAQ-UHFFFAOYSA-N	275.396	1.807	10	20	CDCD	
COc1ccc(CNCC2(N(C)C)CC2)c(O)c1OC	894955144	HMNZQKFYZIQSEG-UHFFFAOYSA-N	280.368	1.593	10	20	CDCD	
COc1cccc(CNC(=O)c2n[nH]cc2C)c1O	799697633	HIZWJWUJMMATNW-UHFFFAOYSA-N	261.281	1.362	10	20	CDCD	
CN(CCC1CCOCC1)C(=O)c1cccc(O)c1O	193132694	MHOODVDVCSCRFP-UHFFFAOYSA-N	279.336	1.987	10	20	CDCD	
COc1ccc(CNC(=O)c2cc(C)nc(O)c2)c(O)c1	794387250	HHPYKUFVLNUBIT-UHFFFAOYSA-N	288.303	1.740	10	20	CDCD	
O=C(O)[C@H]1C[C@H](NCc2cc(F)cc(F)c2O)C1	1332017426	LXCBWFQEFQZBMP-JOTVFPGJSA-N	257.236	1.623	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)[C@@H]1[C@H]2CCCO[C@H]21	1347142115	GVSLGADQEUSTTD-RAIGVLPGSA-N	263.293	1.139	10	20	CDCD	
Cc1c(NCc2cc(F)c(F)cc2O)cnn1CC(=O)O	1600052184	DKWFUPJKPISQMJ-UHFFFAOYSA-N	297.261	1.872	10	20	CDCD	
O=C(O)/C=C/c1ccc(N2CC[C@H]2CO)c([N+](=O)[O-])c1	1601881173	ORDGCTMMYYBBFV-YWNRKNDBSA-N	278.264	1.264	10	20	CDCD	
CC(C)(C)N1CC[C@@H]1C(=O)NCc1ccc(N)cc1	1575140558	SOLNDNGZDBTDPE-CYBMUJFWSA-N	261.369	1.758	10	20	CDCD	
C[C@H](NC(=O)COCC(=O)O)c1ccc(N(C)C)cc1	1589095831	LQUXOXGSVHDOHU-JTQLQIEISA-N	280.324	1.031	10	20	CDCD	
C[C@H](CCO)N(C)c1ccc(/C=C\C(=O)O)cc1[N+](=O)[O-]	1592530549	USGHLVMDQHNUPB-AYYIZTPMSA-N	294.307	1.900	10	20	CDCD	
CC[C@@H](CCO)N[C@H](C)c1cc(C(=O)O)ccc1O	1595128103	GTAGILISZWRZFH-KOLCDFICSA-N	267.325	1.902	10	20	CDCD	
COc1cccc(CN[C@@H](C)C[S@](C)=O)c1O	168191211	YNDLLXRSCJYQTN-HUTHGQBESA-N	257.355	1.257	10	20	CDCD	
COc1cccc(CNC(=O)C2(N(C)C)CCC2)c1O	155681100	JCVLYBVWUUVZKR-UHFFFAOYSA-N	278.352	1.501	10	20	CDCD	
O=C(NCC1(O)CCCCCC1)c1cccc(O)c1O	126626089	RKNXPEWOHOXRFP-UHFFFAOYSA-N	279.336	1.913	10	20	CDCD	
C[C@@H](N)[C@H]1CCCN(C(=O)Cc2ccc(N)cc2)C1	832750112	JREKUJULAVBIBA-YPMHNXCESA-N	261.369	1.397	10	20	CDCD	
COC[C@@H]1CN(Cc2c(O)cccc2Cl)CCO1	271184369	MMJWSQUZEBISNN-JTQLQIEISA-N	271.744	1.893	10	20	CDCD	
Nc1ccc(CC(=O)NCCCN2CCCCC2)cc1	37467367	HIEQFWSPGIQWAS-UHFFFAOYSA-N	275.396	1.804	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C1CCNCC1	37801144	PSMWNEOKIXLZHM-UHFFFAOYSA-N	275.396	1.711	10	20	CDCD	
COc1ccc(O)c([C@@H](C)N[C@H](C)c2ncn(C)n2)c1	275639449	CJIAPHCZCZWKNF-NXEZZACHSA-N	276.340	1.941	10	20	CDCD	
Nc1ccc(CN2CCN(C(=O)c3ccco3)CC2)cc1	20398350	WYMVJGLUNQEMIR-UHFFFAOYSA-N	285.347	1.820	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)[C@@H](C)n1cncn1	172205802	NRRMXHFVADPJAS-GFCCVEGCSA-N	288.351	1.984	10	20	CDCD	
C/C=C/C[C@H](CO)NC(=O)NCc1ccc(N(C)C)cc1	186007867	LICRMJVKMQDYTR-ISZGNANSSA-N	291.395	1.879	10	20	CDCD	
COc1ccc(O)c([C@H](C)NCC2(CO)CC2)c1	122322814	TZABCJMKOQTRGY-JTQLQIEISA-N	251.326	1.824	10	20	CDCD	
CCNC(=O)[C@H](C)NCc1cc(OC)ccc1O	36794589	NQYYEQCGJHOUBH-VIFPVBQESA-N	252.314	1.015	10	20	CDCD	
CC(=O)c1cc(Cl)cc(CN2C[C@@H]3[C@@H](CO)[C@@H]3C2)c1O	366410784	XNRZZQJNGZFRNU-WDNDVIMCSA-N	295.766	1.918	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCn1cccn1	183437487	VJVNHMIKBSBVKQ-NSHDSACASA-N	289.335	1.432	10	20	CDCD	
CC(C)N(CC(=O)O)C(=O)c1cccc(O)c1O	126001172	CGIGYZINOMCSMS-UHFFFAOYSA-N	253.254	1.033	10	20	CDCD	
COc1cccc(CNC(=O)NOCC(C)C)c1O	120860848	GELFSONMOLBDJE-UHFFFAOYSA-N	268.313	1.788	10	20	CDCD	
Cc1ccc(O)c(CNCCCS(C)(=O)=O)c1	71408215	KWFIWMHDWJDAJK-UHFFFAOYSA-N	257.355	1.225	10	20	CDCD	
Cc1cc(C(=O)NCc2ccc(N(C)C)cc2)nc(O)n1	268691529	WHBFLGBHHDFKPG-UHFFFAOYSA-N	286.335	1.487	10	20	CDCD	
CC(C)CN1CCN(C(=O)c2cccc(O)c2O)CC1=O	275537213	SUVQUDPQLHFSPO-UHFFFAOYSA-N	292.335	1.038	10	20	CDCD	
COc1cccc(CN2CCO[C@]3(CCO[C@H]3C)C2)c1O	279665120	MLENHROYFCDVBM-BLLLJJGKSA-N	293.363	1.781	10	20	CDCD	
COC(=O)COc1ccc(N(C)Cc2ccn(C)n2)cc1	273117850	RAJVCNVKCGJAKP-UHFFFAOYSA-N	289.335	1.608	10	20	CDCD	
CC(=O)N[C@H](CC1CCC1)C(=O)NCc1ccccc1O	280019663	XZRKTEWALZCXHW-CQSZACIVSA-N	290.363	1.703	10	20	CDCD	
COc1ccc(CNC[C@H]2CC[C@@H](CO)O2)cc1C	292531038	FMGRVRZLWSUGKO-KGLIPLIRSA-N	265.353	1.633	10	20	CDCD	
COC(=O)c1cc(C)nc(N(C)Cc2ccccc2O)n1	804577550	DMWALYIGQNUPDW-UHFFFAOYSA-N	287.319	1.914	10	20	CDCD	
COCC[C@@H]1COCCN1Cc1cc(C)cc(OC)c1O	812300555	YEISYNBKDLJXAS-CQSZACIVSA-N	295.379	1.947	10	20	CDCD	
C[C@H](NC[C@H]1CNCCCO1)c1cc([N+](=O)[O-])ccc1O	817980853	FBOPDOODSKXVCE-CMPLNLGQSA-N	295.339	1.330	10	20	CDCD	
C[C@@H](C(=O)N[C@H](C)c1ccccc1O)N1C(=O)CCC1=O	827922978	GDPGSIDMWAUZDW-ZJUUUORDSA-N	290.319	1.107	10	20	CDCD	
C[C@@H](NC(=O)C(C)(C)N1CCOCC1)c1ccccc1O	827946831	SRNXKLXOGJZKLY-GFCCVEGCSA-N	292.379	1.680	10	20	CDCD	
COC[C@]1(CO)CCN(Cc2ccc(N(C)C)cc2)C1	825158782	ZZLSAABQLOWELL-MRXNPFEDSA-N	278.396	1.583	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@H]2CCCN2C=O)cc1F	824669874	ROBJFCDCJHRVDO-CQSZACIVSA-N	293.342	1.129	10	20	CDCD	
CN(C)c1ccc(CNC(=O)C(C)(C)NC(=O)O)cc1F	737378710	UXDTXHCPHGPWRO-UHFFFAOYSA-N	297.330	1.554	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@H]2CCCC(=O)N2C)cc1	905319227	WVXOERTUJFLLJM-CQSZACIVSA-N	289.379	1.380	10	20	CDCD	
CO[C@H](C1CC1)[C@H](C)NC(=O)c1ccc(C)c(O)c1O	837014613	QEJHWMCCICHKPE-XPTSAGLGSA-N	279.336	1.950	10	20	CDCD	
CC[C@H](CNCc1ccc(N2CCOCC2)cc1)C(=O)O	903705074	QHLAEGAUOLSUMT-CQSZACIVSA-N	292.379	1.724	10	20	CDCD	
COC[C@@H]1COCCN1Cc1cc(OC)c(C)cc1O	902562330	WNJDOMZBMKWZMS-CYBMUJFWSA-N	281.352	1.556	10	20	CDCD	
CCC[C@H](C)C(=O)NCCNC(=O)c1cc(O)cs1	832835462	VYQIBZOEXZUHOG-VIFPVBQESA-N	284.381	1.736	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@H]2C[C@H]3CC(=O)[C@@H]2C3)cc1	837316306	JCNYPADDWIKWMS-CFVMTHIKSA-N	286.375	1.984	10	20	CDCD	
CCO[C@@H]1COC[C@H]1NCc1cccc(CC)c1O	848914736	NDPVYUYVBXMUPR-ZIAGYGMSSA-N	265.353	1.848	10	20	CDCD	
CC[C@H](N)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	843483815	FKXRDXSPSAKPJB-KBPBESRZSA-N	292.379	1.637	10	20	CDCD	
Oc1ccccc1CNC(=S)NC[C@@H]1CCOC1	749687556	PKLRDBGVYRQLLZ-JTQLQIEISA-N	266.366	1.393	10	20	CDCD	
CC1(C)CCC[C@H]1NC(=O)C(=O)Nc1ccc(N)cc1	841063322	SBFSDXWJYHIYSZ-GFCCVEGCSA-N	275.352	1.902	10	20	CDCD	
CNC(=O)NC(=O)[C@@H](C)Sc1ncc(Cl)s1	849998728	RZFVPRILGQWQBC-SCSAIBSYSA-N	279.774	1.733	10	20	CDCD	
COc1ccc(O)c(CNC(=O)C(C)(C)CCC(=O)O)c1	911386842	IDVAWRAGILFFNA-UHFFFAOYSA-N	295.335	1.908	10	20	CDCD	
CCOc1ccc(O)c(CN2C[C@@H](N)[C@H](C)C2)c1	843120348	GOLBGCUVESUVOS-ZWNOBZJWSA-N	250.342	1.570	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NCC2(N)CCC2)cc1	841652063	CSADWMKLKZQXKP-UHFFFAOYSA-N	276.384	1.433	10	20	CDCD	
Nc1ccc(CC(=O)NCc2cn3ccccc3n2)cc1	746291531	GPQGHXGSYSZIPC-UHFFFAOYSA-N	280.331	1.775	10	20	CDCD	
O=C(NCCCN1CCCC1)NCc1ccccc1O	748452116	XCWWVTYXKVEWRO-UHFFFAOYSA-N	277.368	1.677	10	20	CDCD	
CN(C)c1ccc([C@H](N)CN[C@H]2CCC[C@H](N)C2)cc1	848714637	FKOIIJQIMGHOLN-OFQRWUPVSA-N	276.428	1.612	10	20	CDCD	
Nc1ccc(CCNC(=O)N2CC[C@@H](n3cccn3)C2)cc1	841958372	ZQKPNCXOFDXHFR-OAHLLOKOSA-N	299.378	1.664	10	20	CDCD	
CCN(CC(C)(C)O)C(=O)NCCc1ccc(N)cc1	841959171	VXBUJPWNTOLPCH-UHFFFAOYSA-N	279.384	1.614	10	20	CDCD	
CCc1nncn1CCN[C@H](C)c1cc(OC)ccc1O	756618563	CQBAVLLHCJPMKO-LLVKDONJSA-N	290.367	1.906	10	20	CDCD	
CON(C)C(=O)[C@H](C)NCc1cccc(Cl)c1O	862539457	OOMDNPIKHUNHNY-QMMMGPOBSA-N	272.732	1.544	10	20	CDCD	
CC[C@H](C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1)N(C)C	863584491	DPXSNVZSQDHZNO-HUUCEWRRSA-N	292.427	1.209	10	20	CDCD	
CN(Cc1cccc(Cl)c1O)[C@]1(CO)CCOC1	862426543	JCURQNYKYKKBMM-ZDUSSCGKSA-N	271.744	1.629	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)CN1CCCC1	935948794	PRWVQJUCOBUXDZ-UHFFFAOYSA-N	283.368	1.590	10	20	CDCD	
Cc1cccc(O)c1CNC[C@H](O)C1CCOCC1	877044376	ZZMGXVQSYNUGPE-HNNXBMFYSA-N	265.353	1.578	10	20	CDCD	
CC(C)[C@H]1CN(Cc2cc3c(cc2O)OC[C@@H]3O)CCO1	777966461	BKCRBAJMRBPTLF-GOEBONIOSA-N	293.363	1.675	10	20	CDCD	
CON(C)C(=O)CCN[C@H](C)c1ccccc1O	879649248	LRUOXWGLEPYTJJ-SNVBAGLBSA-N	252.314	1.453	10	20	CDCD	
CN1CCN(Cc2cc(Cl)cc(F)c2O)[C@@H](CO)C1	877644928	VVUYRSJYCQSKKI-LLVKDONJSA-N	288.750	1.293	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H]2CCn3ccnc3C2)c(O)c1O	779214731	UFHBINYZGRJINV-SNVBAGLBSA-N	287.319	1.348	10	20	CDCD	
C[C@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)CC[C@H]1O	778261011	PYFYHZBQWWPVKL-SWLSCSKDSA-N	291.395	1.665	10	20	CDCD	
C[C@H]1CN(C(=O)NCc2ccc(N)cc2)CC[C@H]1N	1120677328	NRKOXJHIJNJAIZ-GXFFZTMASA-N	262.357	1.148	10	20	CDCD	
Cc1c[nH]cc(C(=O)NCc2ccccc2O)c1=O	781423858	SYJWRYIMVFSVGP-UHFFFAOYSA-N	258.277	1.319	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)NC[C@H]1COC(C)(C)O1	783273674	DHISXEHPJUQDSY-LBPRGKRZSA-N	294.351	1.685	10	20	CDCD	
Cc1ccc(C(=O)N[C@H](CO)CC(F)(F)F)c(O)c1O	781016394	WJRIXESBGDMBJA-ZETCQYMHSA-N	293.241	1.449	10	20	CDCD	
CCN1C(=O)/C(=C\c2cc(C(=O)O)nn2C)SC1=S	899333517	RGTFCRAVAPXJDN-VMPITWQZSA-N	297.361	1.339	10	20	CDCD	
CCN1CCC[C@@H]1CNCc1ccc(OC)c(OC)c1O	892413282	FVTITFBUHXPQDR-CYBMUJFWSA-N	294.395	1.983	10	20	CDCD	
CCc1cc(CNC(=O)c2ccc(C)c(O)c2O)on1	780948053	BUCBFYRKRZYVKP-UHFFFAOYSA-N	276.292	1.887	10	20	CDCD	
C[C@@H]1CN(Cc2cc(Br)ccc2O)C[C@@H]1O	897684435	OYSIBEFBCCBQRY-PELKAZGASA-N	286.169	1.967	10	20	CDCD	
COc1cc(C)cc(CNCCNC(=O)C2CC2)c1O	894148529	ZRNYBRYFAHQLJY-UHFFFAOYSA-N	278.352	1.325	10	20	CDCD	
Cc1nc(C(=O)N(C)Cc2ccc(N(C)C)cc2)n(C)n1	791425454	BAHOVDJXSSBPLG-UHFFFAOYSA-N	287.367	1.462	10	20	CDCD	
CCOc1nc(C(=O)NCc2ccc(OC)cc2O)co1	794376527	IWONWHWZMHZXHH-UHFFFAOYSA-N	292.291	1.718	10	20	CDCD	
C[C@H]1CN(Cc2cc3c(cc2O)OCO3)C[C@@H](C)[S@]1=O	792193250	UJLVRKREZNDLSM-YDNVHUBRSA-N	297.376	1.462	10	20	CDCD	
CCO[C@H]1COCC[C@@H]1NCc1ccc2c(c1)CCO2	759171822	ASDCTSZDTGGGAE-HOCLYGCPSA-N	277.364	1.905	10	20	CDCD	
Cc1nnccc1C(=O)NCCc1ccc(O)c(O)c1	762263355	FRFXFORIWDTBNK-UHFFFAOYSA-N	273.292	1.169	10	20	CDCD	
COc1ccc(O)c(CN[C@@H]2CCn3ccnc3C2)c1	779191383	HTGWUWSPNMSIGJ-GFCCVEGCSA-N	273.336	1.702	10	20	CDCD	
COc1ccc(O)c(CN2C[C@@H]3CCNC[C@@H]3C2)c1	904420280	JHWVZUDXYXTLBM-WCQYABFASA-N	262.353	1.442	10	20	CDCD	
COc1ccc(CNCc2snnc2C)c(O)c1OC	1333778119	ZVHLVZGVBQZGJM-UHFFFAOYSA-N	295.364	1.859	10	20	CDCD	
CN(C)c1ccc(CNC[C@@H](CC(=O)O)C(=O)O)cc1	1331997775	GZRHCJCEMGILPO-LLVKDONJSA-N	280.324	1.018	10	20	CDCD	
COc1ccc(CNCC(=O)NCC(C)C)c(O)c1OC	1334170347	ZSTUNQYLJCQTEQ-UHFFFAOYSA-N	296.367	1.271	10	20	CDCD	
CC[C@@H]1CN(C(=O)NCc2ccc(N)cc2)C[C@@H](C)O1	1357792200	UOEQNWDCTNOFCH-BXUZGUMPSA-N	277.368	1.978	10	20	CDCD	
COc1cccc(CN2CCC([C@H](C)N)CC2)c1O	110643950	NBIWSWNLBCVQQM-NSHDSACASA-N	264.369	1.960	10	20	CDCD	
O=C(NCc1cccc(O)c1O)[C@@H]1CC[C@@H]2CCCCN21	1521852534	WXYGCXZQSRJSOG-STQMWFEESA-N	290.363	1.731	10	20	CDCD	
CN(CCCC(=O)O)Cc1ccc(F)c(F)c1O	1604167355	JNFRLYROMOYQCI-UHFFFAOYSA-N	259.252	1.967	10	20	CDCD	
O=C(O)C(=O)CCCOC(=O)c1cc(O)cs1	1601636094	DHNFUEWCNCAYSV-UHFFFAOYSA-N	258.251	1.044	10	20	CDCD	
NCC1(C(=O)NCc2c(O)cccc2O)CCCC1	1574270887	YSECYSSPYSXMQT-UHFFFAOYSA-N	264.325	1.233	10	20	CDCD	
C[C@H](NCCCN(C)C)c1cc(C(=O)O)ccc1O	1593264731	MIMYQWGLQPXQIJ-JTQLQIEISA-N	266.341	1.693	10	20	CDCD	
CCC[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)O	1595992171	WHDMPXRSWYXCAL-BREXMAIKSA-N	279.292	1.481	10	20	CDCD	
C[C@@H](N[C@@H]1CCCNC1)c1cc(C(=O)O)ccc1O	1593353769	DBKPRDPVMJEFAI-MWLCHTKSSA-N	264.325	1.493	10	20	CDCD	
Cc1cccc(CN[C@H](C)CN2CCOCC2)c1O	124707863	WCOSEHAETWQQDE-CYBMUJFWSA-N	264.369	1.511	10	20	CDCD	
C[S@@](=O)CCCNCc1cccc(Cl)c1O	162664741	XTFBZENVRMTYHW-INIZCTEOSA-N	261.774	1.904	10	20	CDCD	
COc1cc(N(C)CCCN)cc(OC)c1OC	20239955	RMTLZDAXKXWVDR-UHFFFAOYSA-N	254.330	1.497	10	20	CDCD	
CC(C)N1CC[C@H](CNC(=O)c2cccc(O)c2O)C1	126364948	JPERRBXACLJBTN-LLVKDONJSA-N	278.352	1.558	10	20	CDCD	
CCc1cccc(CNCCN2CCNC2=O)c1O	895813923	KTIUMPJNCVNBEZ-UHFFFAOYSA-N	263.341	1.069	10	20	CDCD	
CS(=O)(=O)C1(CNCc2ccc3c(c2)CCO3)CC1	279671216	HTPWWHMSTKFLPN-UHFFFAOYSA-N	281.377	1.288	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@]12CCC[C@@H]1CNC2	280910573	SBFDWXGALBPHAG-CJNGLKHVSA-N	274.364	1.740	10	20	CDCD	
Oc1cccc2c1[C@H](NCCN1CCC(O)CC1)CC2	321542511	LBVLYHTVEIAOEF-CQSZACIVSA-N	276.380	1.426	10	20	CDCD	
OC[C@H](C[C@H]1CCCO1)NCc1ccc2c(c1)CCO2	886228642	CMMUOXPCCUDZMB-LSDHHAIUSA-N	277.364	1.641	10	20	CDCD	
COCCCNC(=O)N[C@@H](C)c1cc(OC)ccc1O	171409148	LBMCAERBWWVIMB-JTQLQIEISA-N	282.340	1.798	10	20	CDCD	
CN1CCC[C@H]2CN(C(=O)c3cccc(O)c3O)CC[C@@H]21	126494689	IUVGXEUDAGGSPL-AAEUAGOBSA-N	290.363	1.654	10	20	CDCD	
Cc1ccc(C(=O)N2CCC[C@@H](CC(N)=O)C2)c(O)c1O	182546962	PCPYDYJKEAZBPD-JTQLQIEISA-N	292.335	1.134	10	20	CDCD	
CC(C)COC[C@@H](O)CN(C)Cc1ccccc1O	121144644	ASWLYEGEROAPGM-AWEZNQCLSA-N	267.369	1.858	10	20	CDCD	
COCCC1(C(=O)NCc2cccc(OC)c2O)CC1	121772522	LPNALNFDLRUBTQ-UHFFFAOYSA-N	279.336	1.834	10	20	CDCD	
Cc1cc(C(=O)NCCN(C)C)c(C)n1-c1ccccn1	120993822	XICNWOSVZPNJTP-UHFFFAOYSA-N	286.379	1.781	10	20	CDCD	
CO[C@@H](C)CNC(=O)/C=C/c1ccc(O)c(O)c1	189613901	CQMCANKUJNPVRL-DNQSNQRASA-N	251.282	1.262	10	20	CDCD	
C[C@H]1CCS(=O)(=O)CCN1Cc1ccccc1O	192057704	XPDUVLABFVYJKX-NSHDSACASA-N	269.366	1.401	10	20	CDCD	
C[C@@H](N)CCC(=O)NCc1ccc2c(c1)CCCN2C	193306335	FRVQGPBKYNXJGA-GFCCVEGCSA-N	275.396	1.813	10	20	CDCD	
COCCN(Cc1cc(Cl)ccc1O)[C@@H](C)C(N)=O	93138140	YDWJMUGXOHAUMZ-VIFPVBQESA-N	286.759	1.368	10	20	CDCD	
CCOc1cccc(CN(C)CC(C)(CO)CO)c1O	93502668	SRIQDLNCUZHEAW-UHFFFAOYSA-N	283.368	1.214	10	20	CDCD	
NC(=O)N1CCCN(Cc2cc(Cl)ccc2O)CC1	92754112	DYDJABWXTSLMQE-UHFFFAOYSA-N	283.759	1.632	10	20	CDCD	
CNC(=O)CNC(=O)NCc1c(C)c2ccccc2n1C	349191851	OXPHOUHQJJSYOQ-UHFFFAOYSA-N	288.351	1.032	10	20	CDCD	
CN(C)c1ccc(CN2CCSC[C@H]2C(N)=O)cc1	278923260	VEQXOKGLKNEVPU-ZDUSSCGKSA-N	279.409	1.155	10	20	CDCD	
CC(=O)OC(C)(C)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	275672325	OQUOVFGEGRDPQZ-SECBINFHSA-N	295.335	1.487	10	20	CDCD	
CC(=O)N1CC[C@](C)(C(=O)NCCc2ccc(N)cc2)C1	371283543	LDSWAEMLKGOMGF-INIZCTEOSA-N	289.379	1.186	10	20	CDCD	
CCN(CCOCCO)Cc1cccc(OC)c1O	282778433	QDSKGNXYWHKIQN-UHFFFAOYSA-N	269.341	1.232	10	20	CDCD	
CN(Cc1ccccc1O)C[C@H](O)COCC(F)(F)F	293022978	VNAUUKBYCDWQMV-NSHDSACASA-N	293.285	1.764	10	20	CDCD	
Cc1cc(CN2CCS(=O)(=O)C[C@@H]2C)ccc1N(C)C	292955653	CHYUDAJFDHFILL-ZDUSSCGKSA-N	296.436	1.680	10	20	CDCD	
CC(=O)C(=O)COC(=O)c1cc(Cl)c2c(c1)OCCO2	808490462	DSXXGFCILIJBPJ-UHFFFAOYSA-N	298.678	1.426	10	20	CDCD	
CC(C)N(C)C(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	807676904	JGPOKHOOAAKEIH-LBPRGKRZSA-N	291.395	1.797	10	20	CDCD	
COc1cc(O)c(CN[C@@]2(C)CCOC2=O)cc1OC	290363410	ADFXVWUIWKFGNU-AWEZNQCLSA-N	281.308	1.205	10	20	CDCD	
COc1ccc(N2CCC(NS(C)(=O)=O)CC2)cc1	726602644	ZUHGWHGEZTXPRZ-UHFFFAOYSA-N	284.381	1.213	10	20	CDCD	
Cc1cccc(CN2CCN(c3nccn3C)CC2)c1O	827885054	PDVZVDAQDVNQKP-UHFFFAOYSA-N	286.379	1.756	10	20	CDCD	
COc1ccc(N2CCCN(C(=O)[C@H]3CCN3)CC2)cc1	827458761	LWPCEUMDKNWFNJ-OAHLLOKOSA-N	289.379	1.096	10	20	CDCD	
Cc1nc(C)n(C2CN(C(=O)c3cccc(O)c3O)C2)n1	820052501	AUUDUDLMIIQRBV-UHFFFAOYSA-N	288.307	1.003	10	20	CDCD	
CN(CCNC(=O)c1cc(O)cs1)CC(F)(F)F	732678134	RSWXGMYITPUUNX-UHFFFAOYSA-N	282.287	1.678	10	20	CDCD	
Cc1cc(O)c(CNC[C@]2(O)CCOC2)cc1Cl	825378832	HUXNJWLEBZZNID-CYBMUJFWSA-N	271.744	1.595	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)[C@H]1CCc2cncn2C1	830554866	MXWQWMIUXZUIEV-NSHDSACASA-N	287.319	1.173	10	20	CDCD	
CN(C)c1ccc(CNS(=O)(=O)N(C)CC2CC2)cc1	738353114	KFKFSXFCSQWZER-UHFFFAOYSA-N	297.424	1.429	10	20	CDCD	
Nc1ccc(NC(=O)[C@H]2COCCN2CC(F)F)cc1	832250015	JKRZFJVMAREDNM-LLVKDONJSA-N	285.294	1.173	10	20	CDCD	
CSC(C)(C)C(=O)NCc1ccc(O)c(O)c1	830559960	XXACIWMZLHCLHM-UHFFFAOYSA-N	255.339	1.856	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)[C@@H]1CCCN1C1CC1	910946934	WDRLSBYARYFLLA-ZDUSSCGKSA-N	276.336	1.341	10	20	CDCD	
C[C@@H]1CN(C(=O)C(=O)Nc2ccc(N)cc2)C(C)(C)C1	841107000	MZNSUBDTPWFGDW-JTQLQIEISA-N	275.352	1.854	10	20	CDCD	
COc1cccc([C@H](C)N[C@H](CO)c2cnn(C)c2)c1O	846158245	VOIJFQFCQFHFTB-GXFFZTMASA-N	291.351	1.519	10	20	CDCD	
NCc1ccc(CNCc2cc3c(cc2O)OCO3)cc1	843127729	HOFRSCLBXVLFCJ-UHFFFAOYSA-N	286.331	1.869	10	20	CDCD	
CCNCCNCc1ccc([N+](=O)[O-])c(OC)c1O	841036709	VYWUBLIIPHXBRY-UHFFFAOYSA-N	269.301	1.008	10	20	CDCD	
C[C@@H](N)CNC(=O)NCc1ccc2c(c1)CCCN2C	841758188	FNIGYPCEEFCDNB-LLVKDONJSA-N	276.384	1.215	10	20	CDCD	
CCc1cccc(CN2CCS(=O)(=O)C[C@@H](C)C2)c1O	848907937	VKWKBHYLHICCTM-LBPRGKRZSA-N	297.420	1.821	10	20	CDCD	
COc1ccc(N(C)CCN(C)Cc2nccn2C)cc1	844399908	SBVSLCFEUOJDDQ-UHFFFAOYSA-N	288.395	1.997	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)NCCCNC)cc1	841720636	XPZNBCBULXPZIQ-UHFFFAOYSA-N	292.427	1.942	10	20	CDCD	
CO[C@@H](CNC(=O)NCCc1ccc(N)cc1)C(C)C	841845498	AKJXATCGZOBRFR-AWEZNQCLSA-N	279.384	1.782	10	20	CDCD	
COCCN(C)CCN[C@@H](C)c1cc(F)cc(F)c1O	756525375	BKHISYNJAJGLFY-JTQLQIEISA-N	288.338	1.899	10	20	CDCD	
OC[C@@H](NCc1ccc2c(c1)CCCO2)[C@@H]1CCCOC1	922183906	CKLSZEOORPNVMM-HZPDHXFCSA-N	291.391	1.889	10	20	CDCD	
CCCN1CC(=O)N[C@@H]1c1cc(F)c(N(C)C)cc1F	864386754	ATPCBYUTYYNYKH-AWEZNQCLSA-N	283.322	1.871	10	20	CDCD	
CNC[C@H](C)CN[C@H](C)c1cc(OC)ccc1O	1118060260	XOIFDCFVZKGAPS-WDEREUQCSA-N	252.358	1.907	10	20	CDCD	
CO[C@H]1COCC[C@H]1CNC(=O)c1cc(O)cs1	1118765308	YTQOWRKSVJGMSM-WPRPVWTQSA-N	271.338	1.235	10	20	CDCD	
CC(=O)NC[C@H]1CN(Cc2c(C)cccc2O)CCO1	876742699	RFJQUWGZUSUOHQ-ZDUSSCGKSA-N	278.352	1.038	10	20	CDCD	
COc1cc(O)c(CNC[C@@H](O)c2ccco2)cc1OC	775918502	RIHQPELMYUYVSU-GFCCVEGCSA-N	293.319	1.826	10	20	CDCD	
Cc1ccc(CN2CCSC[C@H]2CO)c(O)c1	877779947	INNKRUAAAUPQDX-GFCCVEGCSA-N	253.367	1.610	10	20	CDCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NCc1ncnn1C	877591527	DZOBVEVOWQTBJV-CYBMUJFWSA-N	287.411	1.910	10	20	CDCD	
COCC[C@@H](N)C(=O)NCc1ccc(N2CCCC2)cc1	884193825	QOQIYRLJDMVRQO-OAHLLOKOSA-N	291.395	1.267	10	20	CDCD	
Nc1ccc(CNC(=O)N2C[C@H]3COC[C@H]3C2)cc1	1120584804	VEXHTYQSPUVGJJ-TXEJJXNPSA-N	261.325	1.057	10	20	CDCD	
NC(=O)CC1(CNCc2cc(F)cc(F)c2O)CC1	883147403	UFTZRUFXRTWXOB-UHFFFAOYSA-N	270.279	1.416	10	20	CDCD	
CO[C@H](C)CNCc1ccc(N2CCN(C)CC2)cc1	785561581	YIVUWVHIZIXWKV-CQSZACIVSA-N	277.412	1.563	10	20	CDCD	
COC(=O)[C@@](C)(CO)NCc1c(O)ccc(Cl)c1F	894973057	WMBAWKARHGTKOF-GFCCVEGCSA-N	291.706	1.198	10	20	CDCD	
C[C@@H]1OCC[C@@]12CN(C(=O)c1cc(O)cs1)C[C@@H](C)O2	791071361	YVAVZHYMICNTDW-ISTVAULSSA-N	297.376	1.862	10	20	CDCD	
C[C@@]1(O)CCCN(Cc2cc3c(cc2O)OC[C@H]3O)CC1	794672463	LAHJRNSLYOHTBY-GDBMZVCRSA-N	293.363	1.555	10	20	CDCD	
O=C(NCc1ccccc1O)[C@H]1CCc2nccn2C1	787132281	XVMDHTZMSARVRQ-LBPRGKRZSA-N	271.320	1.468	10	20	CDCD	
O=C(NCc1ccccc1O)[C@@H](O)Cc1ccccc1	793680734	JRHHIVVHQLFFOU-HNNXBMFYSA-N	271.316	1.612	10	20	CDCD	
C[C@]1(O)CCCN(C(=O)NCc2ccc(N)cc2)CC1	1336290933	XHFLDHQMXOEWOV-HNNXBMFYSA-N	277.368	1.715	10	20	CDCD	
CC[C@@H]1CN(c2nnc(-c3sccc3O)n2C)CCO1	1339574771	VKTRVBXUZIIDHU-SECBINFHSA-N	294.380	1.864	10	20	CDCD	
C[C@H](NC(=O)NCc1ccc(N)cc1)[C@@H]1CCCOC1	1338584360	YMKDHCIJHMVRDW-WCQYABFASA-N	277.368	1.883	10	20	CDCD	
Nc1ccc(CNC(=O)[C@@H]2CC23CCNCC3)cc1	1346209786	LPRRCNQXIQVQCL-ZDUSSCGKSA-N	259.353	1.275	10	20	CDCD	
CSC[C@@H](C)NC(=O)NCc1ccc(N)cc1	1357166988	QXUAUOAUTUVRQN-SECBINFHSA-N	253.371	1.820	10	20	CDCD	
CC[C@@H]1CN(C(=O)NCc2ccc(N)cc2)C[C@H](C)O1	1357792209	UOEQNWDCTNOFCH-SMDDNHRTSA-N	277.368	1.978	10	20	CDCD	
O=C(O)C1=CC[C@@H](NC(=O)c2cc(O)cs2)C1	1601735804	UAHIDKUCGPCXOY-SSDOTTSWSA-N	253.279	1.357	10	20	CDCD	
CCOCc1cc(CN[C@@H](CF)C(=O)O)ccc1OC	1610037053	HENQNZCDKMYUSP-LBPRGKRZSA-N	285.315	1.744	10	20	CDCD	
O=C(O)[C@H](CF)NCc1cc(Br)ccc1O	1610716068	HDMVIMSEHHFGDG-QMMMGPOBSA-N	292.104	1.667	10	20	CDCD	
COC[C@](C)(CC(=O)O)NCc1cc(F)ccc1O	1599149568	KTCNGWCQBRDPJB-ZDUSSCGKSA-N	271.288	1.501	10	20	CDCD	
CCN(C)c1ccc(CN2C[C@H](O)C[C@@H]2C(=O)O)cc1	1596194358	KCIXXQRNSOWTPB-ZIAGYGMSSA-N	278.352	1.163	10	20	CDCD	
CN(CCCn1cncn1)c1ccc(OCC(=O)O)cc1	1777059318	ZKQZSACSHXBQPI-UHFFFAOYSA-N	290.323	1.268	10	20	CDCD	
COc1cccnc1N(C)C(=O)/C=C/c1cnn(C)c1C	151989946	ZBRIDVDVJTYADQ-BQYQJAHWSA-N	286.335	1.808	10	20	CDCD	
CN(C)CCOCCNCc1ccc2c(c1)CCCO2	922006436	BAZGBEZTFQDPKR-UHFFFAOYSA-N	278.396	1.679	10	20	CDCD	
Oc1ccc(Cl)cc1CNCCO[C@@H]1CCOC1	922939094	LHGBPZRRNOXRQZ-GFCCVEGCSA-N	271.744	1.941	10	20	CDCD	
CCCN(Cc1ccccc1O)C[C@H]1CNC(=O)C1	851792067	KBFRFUSZNGZCGM-GFCCVEGCSA-N	262.353	1.740	10	20	CDCD	
C[C@@H](NCC1(S(C)(=O)=O)CC1)c1ccc(F)cc1O	281232168	UUUSUXCWSMXJKS-SECBINFHSA-N	287.356	1.759	10	20	CDCD	
CNC(=O)[C@@H]1CCCCN1Cc1cc(F)cc(F)c1O	708433100	GZIJATDJDCZYCJ-LBPRGKRZSA-N	284.306	1.771	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2ccc(O)nn2)cc1F	58972098	NHGPQVMNJCWFJV-UHFFFAOYSA-N	290.298	1.317	10	20	CDCD	
Cc1ccc(C(=O)N2C[C@@H](C)OC[C@@H]2C)c(O)c1O	177670522	OBMDQPUJPJUOEF-VHSXEESVSA-N	265.309	1.656	10	20	CDCD	
O=C(NCc1ccc(N2CCCC2)cc1)C1=COCCO1	41365389	AYSZHDBVTOQYIO-UHFFFAOYSA-N	288.347	1.791	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NCC(=O)N(C)C2CC2)c1	182405210	BAPKXSQQJMXJRA-SNVBAGLBSA-N	278.352	1.672	10	20	CDCD	
CN(Cc1cc(=O)n2nccc2[nH]1)c1ccc2c(c1)OCO2	121367986	XAHPUEILVNXBTP-UHFFFAOYSA-N	298.302	1.388	10	20	CDCD	
COc1cc(O)c(CN2CCN(C)CC2)cc1OC	183369095	DGBMJYLWEMBURO-UHFFFAOYSA-N	266.341	1.157	10	20	CDCD	
Nc1ccc(CC(=O)N2[C@H]3CCNC[C@H]2CC3)cc1	374696475	XTAKGQRFALGJDH-ZIAGYGMSSA-N	259.353	1.164	10	20	CDCD	
COc1cc(O)c(CN2CC[C@@H]([C@H](C)O)C2)cc1OC	180865293	SJOGUTFUZKKDHW-WDEREUQCSA-N	281.352	1.612	10	20	CDCD	
CC(C)OCCC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	183437965	PUSLHQQBEIQCCH-NSHDSACASA-N	281.352	1.960	10	20	CDCD	
O=C(NCCCCO)NCc1ccc(N2CC=CC2)cc1	194460123	PTDKHBIMKAKTQW-UHFFFAOYSA-N	289.379	1.635	10	20	CDCD	
C[C@H]1CCN(Cc2ccccc2O)CCS1(=O)=O	192050397	BDNUFHCUOHNMAU-NSHDSACASA-N	269.366	1.401	10	20	CDCD	
CCOc1ccc(O)c(CN(C)CC[C@H](C)O)c1	93481794	XGLPQJGRKOXJSX-NSHDSACASA-N	253.342	1.994	10	20	CDCD	
CC(C)(C)C(=O)NCCC(=O)NCc1ccc(N)cc1	299398507	URUOTQSIZUIRTD-UHFFFAOYSA-N	277.368	1.437	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)CN(C)C(C)=O	264127436	SEUVIIAXDGAFIZ-UHFFFAOYSA-N	278.352	1.609	10	20	CDCD	
Nc1ccc(CC(=O)NCCCNc2ccccn2)cc1	262672637	SFNRQEZWNFNZFH-UHFFFAOYSA-N	284.363	1.825	10	20	CDCD	
C[C@H](NC[C@H]1CC[C@@H](CO)O1)c1ccc(F)cc1O	293761474	RIUDGUYMVYQKMF-WCQGTBRESA-N	269.316	1.722	10	20	CDCD	
NC(=O)CC1(CNCc2cc([N+](=O)[O-])ccc2O)CC1	817411028	LGPVJZJRLPESOL-UHFFFAOYSA-N	279.296	1.046	10	20	CDCD	
COc1ccc(N2CC[C@@H](CNC(=O)[C@@H](C)OC)C2)cc1	819584006	YHOXYHYMMXBICH-OLZOCXBDSA-N	292.379	1.673	10	20	CDCD	
C[C@@H](NC[C@@H]1CNCCO1)c1cc(Cl)ccc1O	817982048	BFZTVXBQWXZLJL-KOLCDFICSA-N	270.760	1.685	10	20	CDCD	
OCc1cn(CCCNCc2cc(Cl)ccc2O)nn1	810162330	CWEYCEFDOKANTK-UHFFFAOYSA-N	296.758	1.309	10	20	CDCD	
Cc1cc(CNC(=O)NCc2ccccc2O)no1	726241540	IQWUNFZDDWBBTB-UHFFFAOYSA-N	261.281	1.688	10	20	CDCD	
CO[C@@H]1CCOC[C@H]1N[C@H](C)c1c(O)cccc1F	903296275	DHIWHGMAHMMGDL-IRUJWGPZSA-N	269.316	1.986	10	20	CDCD	
COc1cc(O)c(CN2CCCC[C@H]2C(=O)O)cc1OC	820775053	JKYHWHTYSDQLTB-NSHDSACASA-N	295.335	1.849	10	20	CDCD	
COc1ccc(N2CCC(N[C@H]3[C@@H]4CNC[C@@H]43)CC2)cc1	841080102	NSWLXMIZSWIUPH-FVQHAEBGSA-N	287.407	1.471	10	20	CDCD	
C[C@H]1C[C@@H]1C(=O)N(CC(=O)O)Cc1ccccc1O	911483972	IBBSANKRINONLL-ONGXEEELSA-N	263.293	1.461	10	20	CDCD	
COCCCCCNC(=O)NCCc1ccc(N)cc1	841758573	BVKMPCSLURHEBS-UHFFFAOYSA-N	279.384	1.927	10	20	CDCD	
C[C@@H]1OC(=O)N[C@@H]1C(=O)NCc1cc(Cl)ccc1O	846474551	UZOXMONYWJQWBU-WKEGUHRASA-N	284.699	1.159	10	20	CDCD	
C[C@H]1[C@H](C)CCCN1C(=O)C(=O)Nc1ccc(N)cc1	841047480	CCYSJGPJDJQCPE-MNOVXSKESA-N	275.352	1.854	10	20	CDCD	
COc1ccc(N(C)CCN(C)C(=O)[C@@H](N)C(C)C)cc1	846696297	FDMMBDXTMQDMBA-HNNXBMFYSA-N	293.411	1.573	10	20	CDCD	
CNCCNC(=O)NCCCSc1nccs1	841858286	WCVGXHZZBYHXAS-UHFFFAOYSA-N	274.415	1.144	10	20	CDCD	
CCOc1ccc(CN2C[C@H](O)C[C@@H]2COC)c(O)c1	846053428	SQHXNLRFHOBDEU-CHWSQXEVSA-N	281.352	1.373	10	20	CDCD	
OC[C@@H](CCF)NCc1ccc2c(c1)CCCO2	922221982	MEJFZRNINDLRBP-CYBMUJFWSA-N	253.317	1.822	10	20	CDCD	
C[C@@H](NCCN1C(=O)CNC1=O)c1ccc(Cl)cc1O	841752323	OHYLUVSSJKGQRY-MRVPVSSYSA-N	297.742	1.248	10	20	CDCD	
Cc1cccc(CN2CCC3(CC2)COC(=O)N3)c1O	753586645	HFVXGCZFEPKOLU-UHFFFAOYSA-N	276.336	1.775	10	20	CDCD	
COc1ccc(O)c([C@H](C)N[C@@H]2CCN(C(C)=O)C2)c1	857068436	UKNHIBLSVMYZQL-CMPLNLGQSA-N	278.352	1.672	10	20	CDCD	
CC[S@@](C)(=O)=NC(=O)c1ccc(C)c(O)c1O	925830830	HRTVVTMLBVVGSU-QGZVFWFLSA-N	257.311	1.664	10	20	CDCD	
CN(C)c1cc(F)c(CNCCCn2cncn2)cc1F	858092961	OSTFBKDGRMYZOQ-UHFFFAOYSA-N	295.337	1.802	10	20	CDCD	
C[C@H](NCCCOCCO)c1cc(F)cc(F)c1O	757638925	SWTBSJQXCWRMSQ-VIFPVBQESA-N	275.295	1.720	10	20	CDCD	
Nc1ccc(OCc2cn(C3CCNCC3)nn2)cc1	864631246	WLXMGKPNPUAYSC-UHFFFAOYSA-N	273.340	1.364	10	20	CDCD	
O=S(=O)(Nc1cccc(O)c1)c1cccc2nonc12	762461744	BMLWJCSXIPALFH-UHFFFAOYSA-N	291.288	1.729	10	20	CDCD	
Cc1noc(CNC(=O)c2ccc(C)c(O)c2O)n1	770483342	NNEHOGSWNWHHPH-UHFFFAOYSA-N	263.253	1.028	10	20	CDCD	
CCN(CCOC)Cc1ccc(N2CCN(C)CC2)cc1	775649419	REMZBVPODYQWDU-UHFFFAOYSA-N	291.439	1.907	10	20	CDCD	
CCCOc1ccc(CN[C@H]2C[C@H](O)[C@H](O)C2)cc1C	886249709	RINFRQLIZXEKJP-QKDCVEJESA-N	279.380	1.758	10	20	CDCD	
Nc1ccc(CC(=O)NC2(c3nc[nH]n3)CCC2)cc1	1121990512	OTJRDBMHZNNRAU-UHFFFAOYSA-N	271.324	1.125	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)CC1OCCO1	788641057	PCAAFQICWIAOHB-UHFFFAOYSA-N	251.282	1.114	10	20	CDCD	
Cc1nscc1C(=O)OCC(=O)c1ccc(O)c(O)c1	784617773	MUILSHAKYFVRKH-UHFFFAOYSA-N	293.300	1.902	10	20	CDCD	
COc1cc(C)cc(CN2C[C@H](CO)OC(C)(C)C2)c1O	895033033	FMSLSDUCSNKXHS-CYBMUJFWSA-N	295.379	1.681	10	20	CDCD	
COc1cc(C)cc(CNCC[C@H](O)C2CC2)c1O	898194593	KVRBVGRUKHWQQA-ZDUSSCGKSA-N	265.353	1.960	10	20	CDCD	
C[C@H](O)C[C@H](C)NCc1ccc(N2CCOCC2)c(F)c1	782980411	SDEHBVNAMVXWHQ-STQMWFEESA-N	296.386	1.911	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNCC[C@H](C)N(C)C)c1O	895293165	GMGSJGNHNFROHE-JTQLQIEISA-N	297.355	1.739	10	20	CDCD	
COc1ccc(CNC(=O)c2cn(C)cn2)c(O)c1	794380007	VUHWWLHVPNICQW-UHFFFAOYSA-N	261.281	1.064	10	20	CDCD	
C[C@@H]1C(=O)CC[C@H]1CC(=O)NCCc1ccc(O)c(O)c1	793679066	BXYPYHUMISYAMN-JQWIXIFHSA-N	291.347	1.762	10	20	CDCD	
COc1ccc(N(C)C[C@@H]2CN(C)C(=O)O2)c(OC)c1	1326248967	UGHMICGRUFQDSK-LLVKDONJSA-N	280.324	1.591	10	20	CDCD	
CCN1CCCC[C@@H]1CNC(=O)NCc1ccc(N)cc1	1262572484	VVTKEDILULDSGL-OAHLLOKOSA-N	290.411	1.942	10	20	CDCD	
O=C(O)[C@H]1C[C@H]2CC[C@H]1N(C(=O)c1cc(O)cs1)C2	1608615603	XJDQXGCWZIIQEA-FKTZTGRPSA-N	281.333	1.779	10	20	CDCD	
CC(=O)C1=NN(c2cccc(C(=O)O)c2C)C(=O)C1	1589027545	UJWRFMSJBRDJBF-UHFFFAOYSA-N	260.249	1.375	10	20	CDCD	
O=C(NCc1cc(O)ccc1O)[C@H]1CNc2ccccc21	1580712095	VPHDZSUONOBWFI-ZDUSSCGKSA-N	284.315	1.923	10	20	CDCD	
O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@H]1CCN1	1580713591	CUTRVTVIJFMJBY-CQSZACIVSA-N	286.379	1.224	10	20	CDCD	
O=C(O)[C@H]1CN(Cc2ccc(N3CCCC3)cc2)CCO1	1594951848	PXOITOJSCWNTTH-OAHLLOKOSA-N	290.363	1.572	10	20	CDCD	
CNC(=O)C(C)(C)CN[C@H](C)c1cc(OC)ccc1O	186223703	YBNBQFVSWBKSKZ-SNVBAGLBSA-N	280.368	1.824	10	20	CDCD	
CCN(CC)c1ccc(CNC[C@@H](O)COC)cc1	71269345	FCXNFGUTDYMPQH-OAHLLOKOSA-N	266.385	1.630	10	20	CDCD	
COC[C@@]1(C(=O)NCc2ccccc2O)CCCCN1	692202070	CWVUOVSGQDVIRL-OAHLLOKOSA-N	278.352	1.167	10	20	CDCD	
COC[C@](C)(O)CN[C@H](C)c1ccc(N(C)C)cc1	382570593	QVZOPCDYCOEEDO-IUODEOHRSA-N	266.385	1.801	10	20	CDCD	
CC[C@H](O)CCCNC(=O)c1cccc(O)c1O	398514157	SHNIXUXNMFNJFG-VIFPVBQESA-N	253.298	1.379	10	20	CDCD	
OCC[C@@H](NCc1cc2c(cc1O)OCO2)C(F)(F)F	886371185	GUYROTKYBDDQIB-LLVKDONJSA-N	293.241	1.524	10	20	CDCD	
CCOc1cccc(CN2CC[C@@H](CN)C2)c1O	50245079	DYIBZIQQZSGJPE-NSHDSACASA-N	250.342	1.572	10	20	CDCD	
CC(=O)c1c[nH]c(C(=O)NCCc2ccc(O)c(O)c2)c1	115633657	QJPCPWFYPSZTMX-UHFFFAOYSA-N	288.303	1.601	10	20	CDCD	
COc1ccc(O)c([C@H](C)Nc2ccc3nnnn3n2)c1	301184239	JABRYKUPCSUMMB-QMMMGPOBSA-N	286.295	1.407	10	20	CDCD	
C[C@@H](N[C@@H]1CC(=O)N(C2CC2)C1)c1ccccc1O	183614256	AEZPWROXGRCVSV-GHMZBOCLSA-N	260.337	1.806	10	20	CDCD	
C[C@H]1CN(C(=O)c2cccc(O)c2O)C[C@@H](C)N1C	126952345	SAYHIDZFMPEJAH-AOOOYVTPSA-N	264.325	1.262	10	20	CDCD	
O=C(O)C1CN(Cc2cc(Br)ccc2O)C1	236417777	DZODCJUXXUBFDT-UHFFFAOYSA-N	286.125	1.671	10	20	CDCD	
C[C@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](C)CO1	180916358	QCQIRGCVIUUSCS-LJRGRFNSSA-N	277.320	1.747	10	20	CDCD	
CN1CCCc2cc(CNC(=O)CCc3nc[nH]n3)ccc21	78701336	ZWDFRAXVXGFDTM-UHFFFAOYSA-N	299.378	1.436	10	20	CDCD	
COc1cccc(CNC(=O)Cc2ccoc2)c1O	184977510	FZVDQICRPFYYBM-UHFFFAOYSA-N	261.277	1.853	10	20	CDCD	
COc1cccc(CN2CC[C@H](N)C[C@H]2C)c1O	131530325	IPHRYQWKUFXVGB-PWSUYJOCSA-N	250.342	1.712	10	20	CDCD	
COc1cccc(CNC(=O)NCCn2cccc2)c1O	84456796	VOJRWWIQVHHHHF-UHFFFAOYSA-N	289.335	1.702	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)[C@@H]2CCNC2)cc1F	236912047	JQPUKDDYBOEOCB-CYBMUJFWSA-N	293.386	1.898	10	20	CDCD	
C[C@@H](Sc1nncn1C)C(=O)NCc1ccccc1O	269129054	GUAIUBQEQLMPAU-SECBINFHSA-N	292.364	1.318	10	20	CDCD	
CC[C@@H](N[C@@H](CO)c1cnn(C)c1)c1ccccc1O	274812069	YBACIZUZYCQUQB-KGLIPLIRSA-N	275.352	1.900	10	20	CDCD	
O=C1N[C@H](c2cccc(F)c2O)N2CCSC[C@@H]12	272207590	NNQCHOFQMBFCGM-ONGXEEELSA-N	268.313	1.077	10	20	CDCD	
Cc1cc(O)c(CN(C)Cc2nncn2C)cc1C	288659058	RKYGUKGSRLZNGX-UHFFFAOYSA-N	260.341	1.770	10	20	CDCD	
Cc1cccc(CNC[C@@H](CO)[C@H]2CCOC2)c1O	280987080	WQVIZSBCUOCAJM-KBPBESRZSA-N	265.353	1.435	10	20	CDCD	
Cc1ccc([C@@H](C)NC[C@H]2CC[C@@H](CO)O2)c(O)c1	294459228	WCSALJUXPZPOMH-UPJWGTAASA-N	265.353	1.891	10	20	CDCD	
CC(=O)C(=O)COc1ccc(Br)nc1	808033534	MEOATIRBXWGOEG-UHFFFAOYSA-N	258.071	1.381	10	20	CDCD	
CCCNS(=O)(=O)N(CC)Cc1ccc(N(C)C)cc1	293006975	NQYJFNQSIPXICD-UHFFFAOYSA-N	299.440	1.819	10	20	CDCD	
O=C1O[C@H]2C[C@H]1N(Cc1c(O)cccc1Cl)C2	294660127	ABHJNOSVCWEFCY-OIBJUYFYSA-N	253.685	1.545	10	20	CDCD	
CCOC(=O)[C@H](C)Sc1ncc(C(=O)OC)s1	295421537	YFYLOVOFVHRSTF-LURJTMIESA-N	275.351	1.973	10	20	CDCD	
COC[C@]1(CN[C@H](C)c2cc(F)ccc2O)CCCN1	817974928	OKKPUWCRXDYFPX-IAQYHMDHSA-N	282.359	1.951	10	20	CDCD	
C[C@@H](NC(=O)CCc1ncc[nH]1)c1ccccc1O	827946815	SJSMPAYVJRPWQM-SNVBAGLBSA-N	259.309	1.925	10	20	CDCD	
Fc1cc(CN[C@@H]2CCOC2)cc(F)c1N1CCOCC1	839146714	RWVHJCSSJJFKJP-GFCCVEGCSA-N	298.333	1.680	10	20	CDCD	
COC[C@@](C)(NCc1cc(F)cc(F)c1O)C(=O)O	904009998	NUGXALUEBUTSAI-GFCCVEGCSA-N	275.251	1.250	10	20	CDCD	
O=C(O)CN1CCC(NCc2ccccc2O)CC1	1332425895	HOQAEITYKIGZCI-UHFFFAOYSA-N	264.325	1.031	10	20	CDCD	
O=C(/C=C/[C@H]1CCOC1)OCC(=O)c1ccc(O)c(O)c1	838049421	MQQCPCDJEUGPMT-DTWDLQQISA-N	292.287	1.416	10	20	CDCD	
O=C(CNC(=O)c1cc(O)cs1)OCC1CC1	731872605	BJEPSFYHPCPXSV-UHFFFAOYSA-N	255.295	1.137	10	20	CDCD	
C[C@]1(CNCc2cc(Cl)ccc2O)CCC(=O)N1	835060323	KBMIHARLJBCTMC-CYBMUJFWSA-N	268.744	1.804	10	20	CDCD	
C[C@H]1CC[C@H](CNCc2cc([N+](=O)[O-])ccc2O)O1	835086008	ASFNRTQCFVCWJC-JOYOIKCWSA-N	266.297	1.958	10	20	CDCD	
O=C(O)c1ccc(O)c([C@H]2NC(=O)c3ccccc3N2)c1	740155779	SFBRHCNRGNGCLQ-CYBMUJFWSA-N	284.271	1.945	10	20	CDCD	
COc1ccc(N(C)CCN(C)C(=O)[C@H](N)C(C)C)cc1	846696300	FDMMBDXTMQDMBA-OAHLLOKOSA-N	293.411	1.573	10	20	CDCD	
C[C@@H]1CCNC[C@H]1NCc1ccc(N2CCOCC2)cc1	841059230	NQUDPRAMTGFBHB-RHSMWYFYSA-N	289.423	1.611	10	20	CDCD	
O=C(O)[C@@H]1CC[C@H](NCc2cccc(F)c2O)C1	843038944	LDLSYAUTQUHRLF-SCZZXKLOSA-N	253.273	1.874	10	20	CDCD	
COc1ccc(N(C)CCN(C)C(=O)C[C@@H](C)N)cc1	846697761	VVMDYIVSOVNWKB-GFCCVEGCSA-N	279.384	1.327	10	20	CDCD	
CCOc1ccc(CNCCN2CCCC2=O)c(O)c1	846077067	LLQHHKAGIZHLLC-UHFFFAOYSA-N	278.352	1.503	10	20	CDCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N[C@H]1CCNC1	841831799	GBIQEBBHSLQRIQ-AWEZNQCLSA-N	286.379	1.224	10	20	CDCD	
COC(=O)[C@H]1CCCN1C(=O)c1cc(O)cs1	848371050	MZXQFECIQHQDIU-MRVPVSSYSA-N	255.295	1.231	10	20	CDCD	
C[C@H](NCC(C)(C)CO)c1cc([N+](=O)[O-])ccc1O	756761030	STOUWGRACBKREE-VIFPVBQESA-N	268.313	1.970	10	20	CDCD	
Cc1cc(O)c(CNCc2nc(O)cc(CN)n2)cc1C	863647837	DMDWNSZUNAILFU-UHFFFAOYSA-N	288.351	1.253	10	20	CDCD	
O=S(=O)(CC1CCCC1)NCc1ccc(O)cc1O	867417556	ZJOSIODMBOJFHK-UHFFFAOYSA-N	285.365	1.707	10	20	CDCD	
CC[C@@H](C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1)N(C)C	863584489	DPXSNVZSQDHZNO-CABCVRRESA-N	292.427	1.209	10	20	CDCD	
CCOc1ccc(CN2CCCS(=O)(=O)CC2)c(O)c1	769400301	PTQVCELZNCUXOS-UHFFFAOYSA-N	299.392	1.411	10	20	CDCD	
Oc1cc2c(cc1CN1CC[C@H](CF)C1)[C@H](O)CO2	1119331214	MZLPWJHZRJHWOZ-NOZJJQNGSA-N	267.300	1.609	10	20	CDCD	
Cc1ccc(CNCC2(C(N)=O)CCCC2)c(O)c1	877150414	RGHJPGLOAFHYHJ-UHFFFAOYSA-N	262.353	1.836	10	20	CDCD	
CC(C)Nc1ccccc1NCC(=O)NC(N)=O	871847530	SSICCWRSYNKSKP-UHFFFAOYSA-N	250.302	1.114	10	20	CDCD	
Cc1ccc(CN[C@@H](CCO)C2CCOCC2)c(O)c1	877367102	BOSDVCWPLNMXSS-HNNXBMFYSA-N	279.380	1.968	10	20	CDCD	
CCS(=O)(=O)CCCNCc1c(C)cccc1O	877591600	GUAVRXNOMJYWOZ-UHFFFAOYSA-N	271.382	1.615	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)C(C)(C)OC(C)=O)c1	779810979	AMTVJIYRDJEDAX-SECBINFHSA-N	295.335	1.920	10	20	CDCD	
CN1CCN(c2ccc(CNC3CSC3)cc2)CC1	877634526	LXFYCTIJUFMDCU-UHFFFAOYSA-N	277.437	1.643	10	20	CDCD	
CCNC(=O)N1CC[C@H](NCc2c(C)cccc2O)C1	877085576	KRQMZBFNCKVEKT-LBPRGKRZSA-N	277.368	1.594	10	20	CDCD	
Cc1ccc(CN(C)CCNC(=O)N(C)C)c(O)c1	877140085	MFJLRPHXWPBFEI-UHFFFAOYSA-N	265.357	1.404	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NC2(C)COC2)cc1F	875179967	IHMDDNDDSJXHNE-UHFFFAOYSA-N	281.331	1.480	10	20	CDCD	
CCN(CC(=O)NC)Cc1cc(Cl)cc(F)c1O	775652648	OTUOAHKZLNOACL-UHFFFAOYSA-N	274.723	1.753	10	20	CDCD	
c1cc(N2CCOCC2)ccc1CN1C[C@@H]2CNC[C@@H]2C1	770394758	LUBFOXKUZSWJLO-IYBDPMFKSA-N	287.407	1.174	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2CC[C@H](C)[C@@H]2CO)c1O	775108860	OUZGPUISIMPLGS-CABZTGNLSA-N	296.323	1.512	10	20	CDCD	
C[C@@H](NC(=O)Cn1cccn1)c1ccc(N(C)C)cc1	773008255	MAFOFFQGZLKHNP-GFCCVEGCSA-N	272.352	1.827	10	20	CDCD	
CCN(C)c1ccc(Cn2cc(CCN(C)C)nn2)cc1	881314996	KOLHUOVPFSRYAL-UHFFFAOYSA-N	287.411	1.887	10	20	CDCD	
O=C1NCCN1CCNCc1c(O)ccc(Cl)c1F	886323638	CSIQFZIZPCJULW-UHFFFAOYSA-N	287.722	1.300	10	20	CDCD	
CCO[C@@H](CC)C(=O)OCC(=O)c1ccc(O)c(O)c1	783175328	MHPHVXMDXRDGIE-ZDUSSCGKSA-N	282.292	1.639	10	20	CDCD	
C[C@@H]1C[C@@H](O)CN1Cc1cc(Cl)cc([N+](=O)[O-])c1O	788268541	FKMDQIJEOLNIQT-GMSGAONNSA-N	286.715	1.909	10	20	CDCD	
CCc1nncn1CCN[C@H](C)c1ccccc1O	783515766	AXVMCBQPENJUMX-LLVKDONJSA-N	260.341	1.897	10	20	CDCD	
CCOCCOC[C@H](O)CN[C@H](C)c1ccc(C)cc1O	790756993	INYDWZUJQWCZLC-ZIAGYGMSSA-N	297.395	1.765	10	20	CDCD	
COc1cccc(O)c1CNCC1([S@@](C)=O)CCC1	797903120	OQPRAFZXTFSBBB-LJQANCHMSA-N	283.393	1.792	10	20	CDCD	
CC[C@@H]1CCCN1C(=O)C(=O)N(C)Cc1ccccc1O	1324709477	BZYYBRONRAWCQQ-CYBMUJFWSA-N	290.363	1.752	10	20	CDCD	
CCN(CC)c1ccc(CNC[C@H](OC)C(=O)O)cc1F	1331993672	DOEKKWYVTZFMFJ-AWEZNQCLSA-N	298.358	1.861	10	20	CDCD	
CC[C@@H](CNCc1cc(F)cc(F)c1O)C(=O)O	1334407725	PGHJEJGMFGJHOC-ZETCQYMHSA-N	259.252	1.871	10	20	CDCD	
CCN(C(=O)NCc1ccc(N)cc1)[C@@H]1CCNC1	1336289931	DOKSXRRCWCIDQP-CYBMUJFWSA-N	262.357	1.162	10	20	CDCD	
Cc1cc(N2CC[C@H](NCc3ccc(N)cc3)C2=O)n(C)n1	1336284717	CCEOIOYCPRMGCS-AWEZNQCLSA-N	299.378	1.206	10	20	CDCD	
CSCC[C@H](N)CC(=O)NCc1ccccc1O	1341705198	ZVGQHTGBPACGHY-NSHDSACASA-N	268.382	1.479	10	20	CDCD	
C[C@@H](CO)CCCNC(=O)NCc1ccc(N)cc1	1353377906	MHRWEIXUMVHIOH-LLVKDONJSA-N	265.357	1.477	10	20	CDCD	
COc1ccc(N2CC[C@@H](N[C@H](C)CC(=O)O)C2)cc1	1604809437	ISYIDJNNMKFCJN-VXGBXAGGSA-N	278.352	1.727	10	20	CDCD	
C[C@@H](NCCCn1cncn1)c1cc(C(=O)O)ccc1O	1609776394	APMZSMMOOUAULO-SNVBAGLBSA-N	290.323	1.423	10	20	CDCD	
CO[C@@H]1C[C@H](NC(=O)c2cccc(O)c2O)C1(C)C	229413199	IGXHKEWYKVLCBC-WDEREUQCSA-N	265.309	1.641	10	20	CDCD	
COc1ccc(CNC[C@@H](C(=O)O)C(C)C)c(O)c1OC	1594094312	FZRNMGYARMBCDB-LLVKDONJSA-N	297.351	1.856	10	20	CDCD	
COC(=O)C(C)(C)CNC(=O)Cc1ccc(N)cc1	237112326	PSPHZCFSASQUKJ-UHFFFAOYSA-N	264.325	1.127	10	20	CDCD	
Cc1nc(CCN[C@H](C)c2ccc(F)cc2O)n[nH]1	273446639	NXAACHFUOQDSJJ-MRVPVSSYSA-N	264.304	1.851	10	20	CDCD	
CC1(C)CN(C(=O)c2cccc(O)c2O)CC[C@@H]1O	275940932	XITQMYYLAZUXBU-NSHDSACASA-N	265.309	1.331	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NCc2nccn2C)c1	71273013	XFXDQVUQQNWDSJ-SNVBAGLBSA-N	261.325	1.985	10	20	CDCD	
Oc1cccc(Br)c1CN[C@H]1C[C@H](O)C1	858196451	PBBUYIUGTWZTJF-ZKCHVHJHSA-N	272.142	1.768	10	20	CDCD	
CC[C@@H](CCO)NC(=O)NCc1ccc(N(C)C)cc1	304346707	ZXWDOSKZKRQHLN-ZDUSSCGKSA-N	279.384	1.713	10	20	CDCD	
CNC(=O)[C@H]1CCCN(Cc2ccc(N(C)C)c(F)c2)C1	125058050	VOWPFWTXHLMDJH-ZDUSSCGKSA-N	293.386	1.850	10	20	CDCD	
N#Cc1ccc(CC(=O)NCc2ccc(O)c(O)c2)cc1	182521076	UEISPOJYENBDPU-UHFFFAOYSA-N	282.299	1.828	10	20	CDCD	
CCO[C@@H]1C[C@H]1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	186394748	ZCVAKVSYYBJKTL-DRCTWCGVSA-N	279.336	1.570	10	20	CDCD	
COC(=O)[C@H](NC(=O)c1cccc(O)c1O)C(C)C	126252755	DTDKYFOFJHEHFQ-SNVBAGLBSA-N	267.281	1.025	10	20	CDCD	
C[C@@H](O)CN1CCN(Cc2cccc(Cl)c2O)CC1	188731365	ZHWQXEVKSCZVID-LLVKDONJSA-N	284.787	1.544	10	20	CDCD	
CCN(CC)C(=O)CN(C)c1ccc2c(c1)OCO2	121392300	KMAABIGTXXTSKY-UHFFFAOYSA-N	264.325	1.720	10	20	CDCD	
CNC(=O)[C@@H]1CCCCN1Cc1cccc(C)c1O	124536302	JOZOWBQAYVYYMQ-ZDUSSCGKSA-N	262.353	1.801	10	20	CDCD	
CCCN(CC)CCNC(=O)c1ccc(C)c(O)c1O	182545956	SKWXSGCOTIKZJL-UHFFFAOYSA-N	280.368	1.868	10	20	CDCD	
CN(C)CCNC(=O)NCc1ccc(N(C)C)cc1	193102386	YYHPPUGOFBNPII-UHFFFAOYSA-N	264.373	1.113	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@]1(C)CCOC1	356013969	OZOIPTHZTQYVQJ-INIZCTEOSA-N	290.363	1.905	10	20	CDCD	
Cc1ccc(C(=O)N2CCOC[C@H]2C[C@H](C)O)c(O)c1O	274411875	MKZYUYJUYKBZBE-WDEREUQCSA-N	295.335	1.018	10	20	CDCD	
O=C1CCC[C@@H]1[C@@H]1COCCN1Cc1ccccc1O	365277258	INIBYCNEEZERTL-KGLIPLIRSA-N	275.348	1.962	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N2CCCOCC2)cc1F	363375233	RBFLAPJPWXCUFJ-UHFFFAOYSA-N	295.358	1.824	10	20	CDCD	
CCC[C@@]1(CO)CCCN1C(=O)c1cccc(O)c1O	278081531	INGXGCPYIGGKCI-HNNXBMFYSA-N	279.336	1.865	10	20	CDCD	
CC(=O)C(=O)COC(=O)c1ccc(Br)cc1	808488561	IYJSIUSIKZFJKT-UHFFFAOYSA-N	285.093	1.764	10	20	CDCD	
CC(=O)C(=O)COC(=O)c1ccc([N+](=O)[O-])cc1Cl	808488450	IFEJQJXJVLGWJA-UHFFFAOYSA-N	285.639	1.563	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1NCC1(C)C	649347600	HOIPBTAWZRIZOF-AWEZNQCLSA-N	289.379	1.476	10	20	CDCD	
COc1ccc(O)c(CN2C[C@@H](C)C[C@H](CO)C2)c1	817413271	VKJSBPCBLQYBAY-RYUDHWBXSA-N	265.353	1.851	10	20	CDCD	
CCN(CC(=O)NC)Cc1ccc(N(C)C)c(C)c1	815021201	JNCJTHHCXMJIQZ-UHFFFAOYSA-N	263.385	1.629	10	20	CDCD	
C[C@@H]1CN(Cc2cc(Cl)cc(F)c2O)CC(=O)N1	824908610	AAMPIMGXWWIOEM-SSDOTTSWSA-N	272.707	1.505	10	20	CDCD	
C[C@@H](NCCC(=O)N1CCOCC1)c1ccccc1O	135719706	KICODQMQMGOUGQ-GFCCVEGCSA-N	278.352	1.292	10	20	CDCD	
CC1(OCC(=O)NCc2ccc(O)cc2O)CCC1	828027540	PZPKSBHBZDLXIJ-UHFFFAOYSA-N	265.309	1.673	10	20	CDCD	
C[C@@H](NC(=O)[C@@H](O)C(C)(C)C)c1ccccc1O	827940624	GLHLOIAHCPWTAO-BXKDBHETSA-N	251.326	1.976	10	20	CDCD	
CC[C@](C)(CC(=O)OC)NC(=O)c1cc(O)cs1	829648724	HBNGMBAYACAIBI-GFCCVEGCSA-N	271.338	1.915	10	20	CDCD	
CN(CC(=O)O)Cc1ccc(N2CCOCC2)cc1	820569067	JLSAWZFKBAGBMW-UHFFFAOYSA-N	264.325	1.040	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)CCCNC(=O)O)c1	738041061	GFHWAPOPFOOKAW-VIFPVBQESA-N	296.323	1.626	10	20	CDCD	
CCN(CC)c1ccc(CNCCCON)cc1	904456642	JZEYKOVDJLDTHB-UHFFFAOYSA-N	251.374	1.903	10	20	CDCD	
C[C@H](NCc1ccc(N2CCOCC2)c(F)c1)C(=O)O	739031552	OGZMSWHFTHRMKX-JTQLQIEISA-N	282.315	1.225	10	20	CDCD	
CS[C@@H](C)C(=O)N(CC(=O)O)Cc1ccccc1O	911487868	XRHGHKXFHIOMQY-VIFPVBQESA-N	283.349	1.557	10	20	CDCD	
C[C@H]1CN(C(=O)c2cc(O)cs2)C[C@@H](C)N1C	832893775	AWZDHRJIUYYBLL-DTORHVGOSA-N	254.355	1.618	10	20	CDCD	
CCOCc1cc(CNC[C@@H](C)CN)ccc1OC	841050166	YOXPGTVECZIYED-LBPRGKRZSA-N	266.385	1.916	10	20	CDCD	
CCCCN(Cc1ccccc1O)C(=O)NCCNC	841935714	GWNDHKITBCMFEB-UHFFFAOYSA-N	279.384	1.923	10	20	CDCD	
COC(=O)[C@H]1C[C@@H](NC(=O)/C=C/c2ccc(O)c(O)c2)C1	840531119	VXCGMESTVLKVHM-RSSNJPKISA-N	291.303	1.179	10	20	CDCD	
COC(=O)[C@@H]1CC[C@H](NC(=O)NCc2ccccc2O)C1	915517495	IOBSNGNBUGLAGV-PWSUYJOCSA-N	292.335	1.533	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)N[C@H]1CCC[C@@H](N)C1	841981785	IVOZKTYVJSJQLY-OLZOCXBDSA-N	277.368	1.804	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H](C)CCN	841825575	AENVSSLHJXWHKO-LBPRGKRZSA-N	278.400	1.598	10	20	CDCD	
Cc1cccc(CN[C@@H](CO)[C@@H]2CCCOC2)c1O	840963819	QHYSRKFOWXHTSU-KGLIPLIRSA-N	265.353	1.578	10	20	CDCD	
CN(C[C@@H](O)C1CC1)C(=O)NCCc1ccc(N)cc1	841956694	DXWRMJUWVMDQAO-CQSZACIVSA-N	277.368	1.224	10	20	CDCD	
CC[C@@H]1CN(Cc2cc3c(cc2O)OCO3)CC[C@@H]1N	843053665	QBLUCGODVBCCFH-PWSUYJOCSA-N	278.352	1.680	10	20	CDCD	
CCS(=O)(=O)NCc1ccc(N2CCC(O)CC2)cc1	851844408	XEDMZPUTLCCKHP-UHFFFAOYSA-N	298.408	1.087	10	20	CDCD	
Nc1ccc(CC(=O)N[C@H]2CCCN3CCCC[C@H]23)cc1	852898920	AWLPFNXZTUXHJJ-JKSUJKDBSA-N	287.407	1.944	10	20	CDCD	
CC[C@H](C)N(CC(=O)OC)C(=O)c1cc(O)cs1	854333560	WVRNMWPFPBDSIK-QMMMGPOBSA-N	271.338	1.867	10	20	CDCD	
COc1ccc(N2CCC(N[C@H]3C[C@H](O)C3)CC2)cc1	850417704	IMOWNBKAHHAHMZ-CTYIDZIISA-N	276.380	1.777	10	20	CDCD	
NC(=O)c1cc(CNCc2cc(Cl)ccc2O)on1	757906131	KRBRVZRNAISVRC-UHFFFAOYSA-N	281.699	1.422	10	20	CDCD	
CON(C)C(=O)[C@H](C)NCc1cccc(C)c1O	862539306	MEAAMUJOPNIXHO-JTQLQIEISA-N	252.314	1.199	10	20	CDCD	
COCCCCC(=O)NCc1ccc(O)c(O)c1	768914971	OMDCMPIUSIHCRF-UHFFFAOYSA-N	253.298	1.531	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)CCN2CCOCC2)c1	862759142	XEPOCDJUFGFFIL-UHFFFAOYSA-N	278.352	1.039	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@@H](CC(C)C)C(N)=O)c1	862754625	HPDIYAPRWJSSIK-LBPRGKRZSA-N	278.352	1.464	10	20	CDCD	
CCn1nncc1CNC(=O)N(C)Cc1ccccc1O	875766145	JPVHZTDANNDWMG-UHFFFAOYSA-N	289.339	1.345	10	20	CDCD	
CO[C@@H](CNCc1ccc(N2CCCCC2)cc1)C(=O)O	1119612294	ZUVAFHJOOYAOOH-HNNXBMFYSA-N	292.379	1.866	10	20	CDCD	
CCN(C)c1ccc(CN2CC(=O)N(C)C[C@H]2C)cc1	773888838	QBGQLONLKGHUCP-CYBMUJFWSA-N	275.396	1.805	10	20	CDCD	
C[C@@H](N)[C@@H]1CN(Cc2ccc(N3CCCC3)cc2)CCO1	1118179123	LGOLNLZORSJZKG-PBHICJAKSA-N	289.423	1.835	10	20	CDCD	
NC(=O)c1cc(NC(=O)/C=C\c2ccc(O)c(O)c2)c[nH]1	779530755	ZJGCXQUANMAZMU-RQOWECAXSA-N	287.275	1.177	10	20	CDCD	
CCOCCNC(=O)CN[C@H](C)c1ccc(N(C)C)cc1	775835756	IZWAPHGIRRMMBJ-CYBMUJFWSA-N	293.411	1.556	10	20	CDCD	
C[C@H](N[C@H](C)[C@H]1CN(C)CCO1)c1ccccc1O	783518218	KBIQTDFWIBNHSG-YWPYICTPSA-N	264.369	1.762	10	20	CDCD	
CC1(C)C[C@H](C(=O)NCc2ccc(O)c(O)c2)CCO1	1120622718	UMYWKMFVMQOLBW-LLVKDONJSA-N	279.336	1.919	10	20	CDCD	
C[C@@H](N[C@H](CO)c1cnn(C)c1)c1c(O)cccc1F	886557301	XWQBVCQPTIUQOZ-BXKDBHETSA-N	279.315	1.649	10	20	CDCD	
COc1ccc(CN[C@@H]2C[C@]2(C)OC)c(O)c1OC	895458980	JTLDNYDAAOIKLA-RISCZKNCSA-N	267.325	1.676	10	20	CDCD	
CCCn1cc(C(=O)NCc2ccc(OC)cc2O)nn1	794388652	ZAYBBAOENDXNQZ-UHFFFAOYSA-N	290.323	1.332	10	20	CDCD	
O=C(O)C[C@H]1COCCN1Cc1cc(F)cc(F)c1O	708091818	YAHBSGGPCLMXGC-JTQLQIEISA-N	287.262	1.346	10	20	CDCD	
O=C1CN(Cc2cc(Cl)ccc2O)CN1C1CC1	790943624	VIHQEZUWJBWUJA-UHFFFAOYSA-N	266.728	1.810	10	20	CDCD	
CCC[C@@H](CCO)CNC(=O)c1cccc(O)c1O	193110118	IQQOUYJTBOYRBU-JTQLQIEISA-N	267.325	1.626	10	20	CDCD	
CN(Cc1ccccc1O)C[C@@H](O)CN1CCCC1	749297047	JVJORLPSKRAJFQ-CQSZACIVSA-N	264.369	1.281	10	20	CDCD	
COc1ccc(CNC(=O)[C@H]2CCCS2)c(O)c1	794378872	FWZOTBODQGCFOX-GFCCVEGCSA-N	267.350	1.913	10	20	CDCD	
CS[C@H]1CN(C(=O)c2cccc(O)c2O)C[C@@H]1N(C)C	790903806	BGNLPCJZKAPMEX-JQWIXIFHSA-N	296.392	1.215	10	20	CDCD	
CCCC[C@H](N)C(=O)NCc1ccc(N(C)C)cc1	40825911	GPUWKWBNVBSSKD-AWEZNQCLSA-N	263.385	1.886	10	20	CDCD	
CC1(C)CCNCCN1C(=O)Cc1ccc(O)c(O)c1	1576442768	ICKGZCUWOZXQQF-UHFFFAOYSA-N	278.352	1.241	10	20	CDCD	
CCOCC(=O)Nc1c(Cl)ccc2nonc12	1339437724	JDOQNJLLRSCSBU-UHFFFAOYSA-N	255.661	1.851	10	20	CDCD	
CO[C@@H]1CCC[C@@H]1CNC(=O)NCc1ccc(N)cc1	1338583016	PZTSQPCLEJLIPV-TZMCWYRMSA-N	277.368	1.883	10	20	CDCD	
C[C@@H](NCCC(C)(C)O)c1cc(C(=O)O)ccc1O	1604339406	XWKGZEFCEQOHIH-SECBINFHSA-N	267.325	1.902	10	20	CDCD	
Cc1coc(CC(=O)O)c1C(=O)NCc1ccccc1O	1607920400	OARZNFXUNACADK-UHFFFAOYSA-N	289.287	1.851	10	20	CDCD	
Nc1ccc(CN[C@H]2Cc3ccccc3NC2=O)cc1	1580445772	VKJHCWCZELQXLD-HNNXBMFYSA-N	267.332	1.922	10	20	CDCD	
Oc1cccc(F)c1CNc1ccc(-c2nn[nH]n2)cn1	1593540202	RFUJFJSRFLBSDL-UHFFFAOYSA-N	286.270	1.719	10	20	CDCD	
O=C(NCc1ccccc1O)Nc1cccnc1C(=O)O	1594776793	WIWAWWTXLNLRJV-UHFFFAOYSA-N	287.275	1.807	10	20	CDCD	
Nc1ccc(NC(=O)CCCN2C(=O)CCC2=O)cc1	19262330	GSQXGUGFYJIPPZ-UHFFFAOYSA-N	275.308	1.137	10	20	CDCD	
CS(=O)(=O)CCNCc1cccc(Cl)c1O	162832209	OLJSSCBASUJIHZ-UHFFFAOYSA-N	263.746	1.180	10	20	CDCD	
O=C(CC[C@H]1CCCO1)NCc1ccc(O)c(O)c1	158881858	ILRVSPSAOPKCPK-LLVKDONJSA-N	265.309	1.673	10	20	CDCD	
COC(=O)[C@@H]1CN(Cc2cc(C)cc(C)c2O)CCO1	164285288	WOUCXGVBBFZHBI-ZDUSSCGKSA-N	279.336	1.383	10	20	CDCD	
COc1cccc(O)c1CNC[C@H](OC)C1CC1	815152927	AOPGICJLAHFFBM-AWEZNQCLSA-N	251.326	1.915	10	20	CDCD	
Nc1ccc(OCc2cn([C@H]3CCC[C@@H]3O)nn2)cc1	864621571	PVNWUMGXGAGFOY-KBPBESRZSA-N	274.324	1.525	10	20	CDCD	
Cc1ccc(CN2CCCS(=O)(=O)CC2)c(O)c1	876728255	ZFRDNMXJNNJRMH-UHFFFAOYSA-N	269.366	1.321	10	20	CDCD	
Oc1cc2c(cc1CNC[C@H]1CCCCO1)OCO2	42880565	LYVIUYGEELDFLE-LLVKDONJSA-N	265.309	1.780	10	20	CDCD	
C[C@H]1[C@@H](C)OCCN1Cc1cc2c(cc1O)OCO2	164090648	BYYZWCBDPZVUMB-VHSXEESVSA-N	265.309	1.730	10	20	CDCD	
C[C@H](NCCCNS(C)(=O)=O)c1cc(F)ccc1O	184921397	AWURHKHSYJJMGB-VIFPVBQESA-N	290.360	1.121	10	20	CDCD	
C[C@@H](C(=O)NC1CC1)N1CCCc2cc(CN)ccc21	700923782	NJZPZTIOGSYUFU-NSHDSACASA-N	273.380	1.565	10	20	CDCD	
CCc1cccc(CN[C@H](C)C(=O)NC(C)C)c1O	691434162	ARPVMEFWLDNIED-LLVKDONJSA-N	264.369	1.957	10	20	CDCD	
CCC(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1	106702212	JCZPAPYYQICBMV-UHFFFAOYSA-N	293.386	1.994	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1nccnc1N	173190831	SNRZYGMIPFOSHM-UHFFFAOYSA-N	299.334	1.164	10	20	CDCD	
COCCC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	117975996	PLTVJOUHKAFLQL-AWEZNQCLSA-N	293.363	1.936	10	20	CDCD	
CN(Cc1ccccc1O)S(=O)(=O)N1C[C@@H]2CC[C@@H]1C2	178609925	UAXKQZONPPISHX-DGCLKSJQSA-N	296.392	1.553	10	20	CDCD	
CCNC(=O)CNCc1cccc(OCC)c1O	36780425	PIOBYRWQANDINQ-UHFFFAOYSA-N	252.314	1.017	10	20	CDCD	
C[S@](=O)C1(CNC(=O)c2cccc(O)c2O)CCC1	281801178	MQKOUWUUPGYJFP-IBGZPJMESA-N	283.349	1.129	10	20	CDCD	
COCCCNC(=O)NCc1ccc(N(C)C)cc1	31726630	BGHKILAMJSPQKS-UHFFFAOYSA-N	265.357	1.588	10	20	CDCD	
O=C(NOCc1ccccc1)c1cccc(O)c1O	126609901	QIIKOQMLQVDKMR-UHFFFAOYSA-N	259.261	1.959	10	20	CDCD	
CCN(CC)CC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	183469595	XERMDHLDOLOCKY-NSHDSACASA-N	280.368	1.487	10	20	CDCD	
C[C@H]1CN(c2ccc(CNC(N)=O)cc2F)C[C@H](C)O1	77631440	YQGPIAJAQGGODA-UWVGGRQHSA-N	281.331	1.608	10	20	CDCD	
O=S1CCN(Cc2c(O)cccc2Cl)CC1	132684411	CTRAPNPPVSSOKR-UHFFFAOYSA-N	259.758	1.610	10	20	CDCD	
CCOc1cccc(CN(C)Cc2nncn2C)c1O	290198829	PKKRKYJXZNMYPS-UHFFFAOYSA-N	276.340	1.551	10	20	CDCD	
Oc1cccc(Cl)c1CN1CCC2(C1)OCCO2	131019098	VYHWSACGAPAUJE-UHFFFAOYSA-N	269.728	1.994	10	20	CDCD	
CC(C)[C@H](C(=O)NCc1ccccc1O)N(C)C	269153186	QYWVYITXJUJGTR-CYBMUJFWSA-N	250.342	1.595	10	20	CDCD	
COCCCNCc1ccc([N+](=O)[O-])c(OC)c1O	278880624	ODIMALSDOGJDIK-UHFFFAOYSA-N	270.285	1.435	10	20	CDCD	
COC(=O)[C@@H](NCc1ccc(OC)c(C)c1)[C@@H](C)O	276492871	VUMJQLFEDDMWRS-MFKMUULPSA-N	267.325	1.016	10	20	CDCD	
CN(C)c1ccc(CN(C(=O)C(=O)O)C2CC2)cc1	274125553	CXYUVIKFASBCOP-UHFFFAOYSA-N	262.309	1.328	10	20	CDCD	
COC[C@H](NCc1cc2c(cc1O)OCO2)[C@@H]1CCCO1	278784933	ZQBGMNAXIKVBSP-AAEUAGOBSA-N	295.335	1.405	10	20	CDCD	
Cc1ccc(C(=O)NC[C@@H]2CCOC[C@@H]2C)c(O)c1O	287083270	YIUAGKQGCUNCOC-QWRGUYRKSA-N	279.336	1.809	10	20	CDCD	
C[C@H]1C[C@H](NC(=O)c2c(F)ccc(O)c2O)CCO1	297641985	XWGHSVLQWBQSPU-JGVFFNPUSA-N	269.272	1.534	10	20	CDCD	
Cc1ccc(C(=O)Nc2cccc3c2CNC3=O)c(O)c1O	805240143	ZKKLBNGRQCEJBT-UHFFFAOYSA-N	298.298	1.902	10	20	CDCD	
C[C@H](NCc1c(O)ccc(Cl)c1F)C(=O)NCCF	800294014	SMCHFFVKLIWHGA-ZETCQYMHSA-N	292.713	1.749	10	20	CDCD	
Cc1cc(C)c([C@@H](C)NC[C@]2(O)CCN(C)C2)c(O)c1	815616390	NKRUKDFDMAXOQX-CZUORRHYSA-N	278.396	1.726	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@](C)(O)C2CCC2)cc1	813375278	PXBKJJVPLBCSOW-INIZCTEOSA-N	276.380	1.920	10	20	CDCD	
C[C@H](CNCc1cc([N+](=O)[O-])ccc1O)Cn1cccn1	725847459	LZVXKMQBFBTWGU-LLVKDONJSA-N	290.323	1.923	10	20	CDCD	
CCCCC[C@H](O)C(=O)NCc1ccccc1O	827288012	SHGGPCCXQSZMAG-ZDUSSCGKSA-N	251.326	1.950	10	20	CDCD	
CCC(=O)N[C@@H](C)C(=O)N[C@@H](C)c1cc(OC)ccc1O	728977766	COIHICPKHYRTBV-UWVGGRQHSA-N	294.351	1.493	10	20	CDCD	
Cc1cc(O)c(CN[C@@]2(CCO)CCOC2)cc1Cl	825716736	XUBCHLFVKQJRKD-AWEZNQCLSA-N	285.771	1.985	10	20	CDCD	
NC[C@H](NCc1ccc2c(c1)CCCO2)C(F)(F)F	904377083	JIECDNJRKLAEFU-LBPRGKRZSA-N	274.286	1.991	10	20	CDCD	
Cc1cc(NC(=O)COC(=O)c2cc(O)cs2)n(C)n1	731909122	ALNURKDKGNVDDD-UHFFFAOYSA-N	295.320	1.291	10	20	CDCD	
CN(C)c1ccc(CN2CCO[C@@H](CC(=O)O)C2)cc1F	901502610	NUTNXZDZHLOLGK-LBPRGKRZSA-N	296.342	1.567	10	20	CDCD	
NCC[C@H]1CCN(Cc2cc3c(cc2O)OCO3)C1	904406115	PRDAALHIWSYXRU-JTQLQIEISA-N	264.325	1.292	10	20	CDCD	
O=C(N[C@H]1C[C@@H]2CCCCN2C1=O)c1cc(O)cs1	839791012	HYBSAENWJVJSSB-WPRPVWTQSA-N	280.349	1.337	10	20	CDCD	
CN(C)c1ccc(CNc2nccnc2-c2nn[nH]n2)cc1	736781325	YCMFYOWGXFQTMX-UHFFFAOYSA-N	296.338	1.335	10	20	CDCD	
CC[C@@H](N[C@@H]1COC[C@@H]1OC)c1ccccc1O	839196350	UXTUDYDDUFUUPT-BZPMIXESSA-N	251.326	1.847	10	20	CDCD	
Nc1ccc(CC(=O)N2CCC[C@@H](Cn3ccnn3)C2)cc1	831431422	IQPBLIIRCZZLAV-CQSZACIVSA-N	299.378	1.342	10	20	CDCD	
C[C@H]1C[C@H](NC(=O)NCc2ccccc2O)CCN1C	745789839	QOLUOUHVCGKPDW-WCQYABFASA-N	277.368	1.674	10	20	CDCD	
CC[C@@H](C(=O)O)N(C)Cc1ccc([N+](=O)[O-])c(OC)c1O	844936011	HEFAWKDBJJVJMJ-VIFPVBQESA-N	298.295	1.604	10	20	CDCD	
COC[C@]1(CNCc2cc(C)c(C)cc2O)CCCN1	841068141	WGFBZERNXXLPRX-MRXNPFEDSA-N	278.396	1.867	10	20	CDCD	
CCCS(=O)(=O)NCc1cc(Cl)ccc1O	845995866	IGARGHWRCOOOGT-UHFFFAOYSA-N	263.746	1.875	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN[C@]1(CCO)CCOC1	840941271	VFZDOFPNLTWGCW-MRXNPFEDSA-N	278.396	1.692	10	20	CDCD	
C[C@@H]1C[C@H](N2C(=O)CN(Cc3ccccc3O)C2=O)CO1	843314952	TWTOXOQYXBRBQL-PWSUYJOCSA-N	290.319	1.334	10	20	CDCD	
CCN1C(=O)C(C)(C)N[C@H]1c1ccc(N(C)C)cc1	840833551	QWPMBUICZLWOOU-CYBMUJFWSA-N	261.369	1.982	10	20	CDCD	
Nc1ccc(CCNC(=O)NCCCOCC2CC2)cc1	841667395	DRLGTPKQRUKPKG-UHFFFAOYSA-N	291.395	1.927	10	20	CDCD	
COCCOCCCNC(=O)NCCc1ccc(N)cc1	841787225	CFXQFDLWMYYRFG-UHFFFAOYSA-N	295.383	1.164	10	20	CDCD	
COCCN1CCN(Cc2ccc(N(C)C)cc2C)CC1	840909914	NAFSYRFENQUFSB-UHFFFAOYSA-N	291.439	1.825	10	20	CDCD	
Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCCO)c1	858098076	FIAKVQDQAHUQBD-UHFFFAOYSA-N	286.331	1.629	10	20	CDCD	
COc1ccc(O)c(CNC(=O)Cc2cc(C)[nH]n2)c1	755801963	BOYXLXPXEIDWKA-UHFFFAOYSA-N	275.308	1.291	10	20	CDCD	
C[C@H](NCCO[C@H]1CCOC1)c1cc([N+](=O)[O-])ccc1O	927081501	SPYHFZBMNUSPBD-JQWIXIFHSA-N	296.323	1.757	10	20	CDCD	
Oc1ccc(CNc2ncnc3nccnc23)cc1O	752637383	FTQYPMNTGCQULR-UHFFFAOYSA-N	269.264	1.443	10	20	CDCD	
NC(=O)[C@@H]1CC[C@H](N[C@@H]2CCc3cccc(O)c32)C1	834906391	DSQSEKYMPUGOCI-GRYCIOLGSA-N	260.337	1.623	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)Cn1cncn1	769294379	ZAZNPLCSNBVKQZ-UHFFFAOYSA-N	274.324	1.423	10	20	CDCD	
C[C@](O)(CNC(=O)c1cc(O)cs1)C(F)(F)F	761061493	CZLUYWQUEPSZNI-QMMMGPOBSA-N	269.244	1.497	10	20	CDCD	
COc1ccc(O)c(CN(C)CCN2CCCC2)c1	133910225	FLZCBLSTFFZQML-UHFFFAOYSA-N	264.369	1.928	10	20	CDCD	
CN1CC[C@@H](C(=O)NCCCSc2nccs2)C1=O	772983327	ZBVVZAQNAIBABS-VIFPVBQESA-N	299.421	1.220	10	20	CDCD	
C[C@H](NC(=O)c1cn[nH]c1)c1ccc(N(C)C)cc1	775410778	MLVVQPWBGRYWQO-JTQLQIEISA-N	258.325	1.967	10	20	CDCD	
Cc1ccc(CN[C@H]2CC(=O)N(C3CC3)C2)c(O)c1	877157757	BFHWUVCLHACPDQ-LBPRGKRZSA-N	260.337	1.554	10	20	CDCD	
OC[C@@H]1CN(Cc2cc(Cl)c(F)cc2O)C[C@@H]1CO	877765188	USYJFRRTNNZQFG-AOOOYVTPSA-N	289.734	1.217	10	20	CDCD	
O=C(c1cc(O)cs1)N1CC[C@@H](n2cncn2)C1	777225188	VSLIEZQUIFLYID-MRVPVSSYSA-N	264.310	1.132	10	20	CDCD	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)NC1CCC1	788459570	AUUPLYCCLXMCAK-UHFFFAOYSA-N	299.374	1.348	10	20	CDCD	
Nc1ccc(NC(=O)C(=O)N2CCC(F)CC2)cc1	883614969	VZPRNFNTIXDQNY-UHFFFAOYSA-N	265.288	1.168	10	20	CDCD	
C[C@H]1CN(C(=O)c2cc(O)cs2)CCN1CC(C)(C)O	782077790	FRKFRHJYJQFSGT-JTQLQIEISA-N	298.408	1.371	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)N[C@H]2C[C@H](C(=O)O)C2)c1	1121917223	IAJIHYLCUPLRGL-HOMQSWHASA-N	278.308	1.363	10	20	CDCD	
CN1CC[C@H](N(C)Cc2ccc(N(C)C)cc2)C1=O	269556918	ZLMZPDZYBLWBBE-AWEZNQCLSA-N	261.369	1.415	10	20	CDCD	
COC(=O)[C@H]1CCN(Cc2cc3c(cc2O)OCO3)[C@@H]1C	787246034	PUQLAWNGRSHJJV-KOLCDFICSA-N	293.319	1.504	10	20	CDCD	
CCN(C)C(=O)[C@@H](C)NCc1cccc(OC)c1O	188496451	GWHCBKPIHGQPBT-SNVBAGLBSA-N	266.341	1.357	10	20	CDCD	
COCCO[C@H]1CCN(Cc2cccc(C)c2O)C1	188829376	NOQKWNATIRNZRJ-AWEZNQCLSA-N	265.353	1.938	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CCc2ccn(C)n2)cc1	794212307	OWYXFIJRRAANPR-UHFFFAOYSA-N	286.379	1.735	10	20	CDCD	
CC[C@@H]1CN(Cc2cc3c(cc2O)OC[C@H]3O)CCCO1	799163878	OAMDSFCUXKIHLJ-IUODEOHRSA-N	293.363	1.819	10	20	CDCD	
COc1ccc(CNC(=O)CCCC(C)=O)c(O)c1	794378828	IKSLLAIHMYJXCM-UHFFFAOYSA-N	265.309	1.776	10	20	CDCD	
CCOc1ccc(CN2C[C@H](O)C(C)(C)C2)c(O)c1	790936365	FDTKYAGVEXVDOC-AWEZNQCLSA-N	265.353	1.994	10	20	CDCD	
COc1ccc(CNC(=S)NCc2ccon2)c(O)c1	795032945	ZHEXUACSNHLUOQ-UHFFFAOYSA-N	293.348	1.553	10	20	CDCD	
C[C@H](N[C@H]1CCN(C)C1=O)c1ccc(N(C)C)cc1	90074941	ODLXTGBPYOOFBQ-FZMZJTMJSA-N	261.369	1.634	10	20	CDCD	
CC(=O)NCCC1=CCN(c2nccnc2F)CC1	1089802254	JNOFQUZLJSMHRI-UHFFFAOYSA-N	264.304	1.278	10	20	CDCD	
CC(C)CNCC(=O)NCc1ccc(N(C)C)c(F)c1	1326409518	ZHUBQQFHOLULDI-UHFFFAOYSA-N	281.375	1.754	10	20	CDCD	
Cc1ccc(O)c(CNS(=O)(=O)CC[C@H]2CCCO2)c1	1329239206	QSTHDTGQVLXSRE-CYBMUJFWSA-N	299.392	1.689	10	20	CDCD	
Nc1ccc(CN2CC[C@@H](CN3CCCC3=O)C2)cc1	1334754881	USNCXGGPWCPQRQ-CQSZACIVSA-N	273.380	1.713	10	20	CDCD	
C[C@@H]1C[C@H](NC(=O)NCc2ccc(N)cc2)CCO1	1262578943	CLCUBNBPETUGAI-ZWNOBZJWSA-N	263.341	1.636	10	20	CDCD	
CCCNC(=O)[C@H](C)NC(=O)N[C@H](C)c1ccccc1O	1340473423	QOYLZHFIILBYKR-MNOVXSKESA-N	293.367	1.667	10	20	CDCD	
Cc1n[nH]c(C)c1CCC(=O)NCc1cccc(O)c1O	1352658425	VARGBFZVCHRTQW-UHFFFAOYSA-N	289.335	1.687	10	20	CDCD	
Cc1ccc(C(=O)N2CC[C@](F)(C(=O)O)C2)c(O)c1O	1600332730	KRPAPZMLMIPSMO-CYBMUJFWSA-N	283.255	1.045	10	20	CDCD	
Cc1cc(O)c(CN2C[C@H](O)C[C@H]2C(=O)O)cc1C	1600285396	AZLGNXGDMKFTCA-NEPJUHHUSA-N	265.309	1.029	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)NC[C@@H]1CCCNCC1	1578496606	MRRLGFHKBUBYEF-CYBMUJFWSA-N	291.395	1.923	10	20	CDCD	
CC[C@@H](C(=O)O)N(C)Cc1cc2c(cc1O)OC[C@H]2O	1589440812	AKTQXPZNSLVMBN-CMPLNLGQSA-N	281.308	1.113	10	20	CDCD	
Nc1ccc(CC(=O)N2NC(=O)C[C@@H]2c2ccccc2)cc1	1580443332	YBKDJXQVFYOOFI-OAHLLOKOSA-N	295.342	1.816	10	20	CDCD	
COc1ccc(O)c(CNC(=O)C2(CC(=O)O)CCC2)c1	1594105092	DDNITEWVGSLIAG-UHFFFAOYSA-N	293.319	1.662	10	20	CDCD	
O=C1NC[C@H]2CN(Cc3cccc(Cl)c3O)CCN12	124611732	DWROKRRBZAZFDD-JTQLQIEISA-N	281.743	1.255	10	20	CDCD	
O=S(=O)(NCc1ccccc1O)c1cccnc1Cl	158581646	IJFFHLRFAQVNCZ-UHFFFAOYSA-N	298.751	1.919	10	20	CDCD	
COC(=O)[C@]1(F)CCN(Cc2cc(C)cc(OC)c2O)C1	164440454	QDEDSVQRGWOOIM-HNNXBMFYSA-N	297.326	1.796	10	20	CDCD	
CN(C)c1ccc(CNC(=O)C[C@H]2CCCN2)cc1F	166462178	IAASVJZYCLMNPQ-GFCCVEGCSA-N	279.359	1.650	10	20	CDCD	
CC(C)C(=O)NCCCNCc1cc(F)cc(F)c1O	883076355	AGRMQPKEQUXWAC-UHFFFAOYSA-N	286.322	1.922	10	20	CDCD	
NS(=O)(=O)c1cccc(NCc2ccccc2O)c1	19915805	IIALQXCMFJNIEP-UHFFFAOYSA-N	278.333	1.652	10	20	CDCD	
CC(C)NC(=O)CNCc1ccc(N2CCCC2)cc1	37262757	FZERIEOAYYXSDF-UHFFFAOYSA-N	275.396	1.901	10	20	CDCD	
COC[C@]1(C(=O)O)CCN(Cc2cc(F)ccc2O)C1	381431746	USYDVOLRZOZEGC-AWEZNQCLSA-N	283.299	1.454	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NCCCn2cncn2)c1	381822582	VBDCMKGLMAUWPK-LLVKDONJSA-N	276.340	1.733	10	20	CDCD	
C[C@@H](N[C@@H]1COC[C@H]1O)c1ccc2ccccc2c1O	323443086	SOIWSMMHDIJNLE-VCTAVGKDSA-N	273.332	1.956	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2cc(C3CC3)[nH]n2)c1	172043880	OFAKLHQGXAHILV-UHFFFAOYSA-N	287.319	1.931	10	20	CDCD	
Cc1cccc(CN[C@@H](C)CS(C)(=O)=O)c1O	124814152	JTYBAWOEVHQWCD-JTQLQIEISA-N	257.355	1.223	10	20	CDCD	
COCCO[C@@H]1CCN(Cc2ccc(N(C)C)cc2)C1	188827417	QCRSOIWSSNOKPV-MRXNPFEDSA-N	278.396	1.990	10	20	CDCD	
Cc1cc(NC(=O)CN(C)c2ccc3c(c2)OCO3)on1	121246861	CBNATYQUAXMVHP-UHFFFAOYSA-N	289.291	1.787	10	20	CDCD	
O=C1NC[C@H]2CN(Cc3c(O)ccc(Cl)c3F)CCN12	191436958	VRZJOJGNTBYODN-QMMMGPOBSA-N	299.733	1.394	10	20	CDCD	
Nc1ccc(CC(=O)N2CCCSCC2)cc1	42443167	YBTQCCJZDCRJLG-UHFFFAOYSA-N	250.367	1.777	10	20	CDCD	
CC(=O)c1cc(F)cc(CN(C)CC(=O)N(C)C)c1O	50133709	GDTAMTURMDBURL-UHFFFAOYSA-N	282.315	1.254	10	20	CDCD	
Oc1cccc2c1[C@H](NC[C@@H](O)C(F)(F)F)CC2	295778143	ARMIHTQVEFOXOY-PSASIEDQSA-N	261.243	1.892	10	20	CDCD	
Cc1c(CNC(=O)c2cnnn2C)n(C)c2ccccc12	524090359	OCOITGWVEAYRAI-UHFFFAOYSA-N	283.335	1.545	10	20	CDCD	
Cc1noc(CCC(=O)N(C)Cc2ccccc2O)n1	299284952	NLWFSDJTMXRTCI-UHFFFAOYSA-N	275.308	1.675	10	20	CDCD	
CC(=O)N1CC[C@@](C)(C(=O)N(C)Cc2ccccc2O)C1	365820260	RVXDPHLULLWNGD-MRXNPFEDSA-N	290.363	1.609	10	20	CDCD	
CC(=O)Nc1ccc(SCC(=O)C(C)=O)cc1	289638475	MWCRJYIHVWOHLS-UHFFFAOYSA-N	251.307	1.895	10	20	CDCD	
OC[C@H](CNCc1c(O)cccc1Cl)[C@@H]1CCOC1	280243370	IKSOVFFLKVFQAG-MNOVXSKESA-N	285.771	1.780	10	20	CDCD	
CC(=O)C(=O)COC(=O)COc1cccc2ccccc12	808487241	XDFKNBGTXQHOIH-UHFFFAOYSA-N	286.283	1.920	10	20	CDCD	
CS(=O)(=O)CC1(CN[C@@H]2CCc3cccc(O)c32)CC1	297028367	URAFBGSDKOSPEI-GFCCVEGCSA-N	295.404	1.794	10	20	CDCD	
O=C(c1c(F)ccc(O)c1O)N1CCC[C@@H](CO)CC1	295586991	LXOFHVKNCWTJBU-SECBINFHSA-N	283.299	1.472	10	20	CDCD	
Cn1ncc(CCCNCc2cccc(Cl)c2O)n1	293629502	LIOXZWZLGOSUNO-UHFFFAOYSA-N	280.759	1.897	10	20	CDCD	
COC(=O)c1ccc(/C=C2/SC(=S)NC2=O)n1C	821021119	DNPAGEOIPFTTID-VMPITWQZSA-N	282.346	1.301	10	20	CDCD	
CN(C(=O)/C=C/c1cnccn1)c1ccccc1C(=O)O	737312559	DSPZWDVLKWBKTJ-VOTSOKGWSA-N	283.287	1.851	10	20	CDCD	
Cc1ccc(C(=O)OCc2nonc2C)c(O)c1O	837484226	HXFFHHLEAFDEMN-UHFFFAOYSA-N	264.237	1.455	10	20	CDCD	
CCc1cc(CNC(=O)NCc2ccccc2O)on1	741274426	JVECZHJSTCEVGZ-UHFFFAOYSA-N	275.308	1.942	10	20	CDCD	
COC(=O)[C@@H](C)CN(C(=O)Cc1ccc(N)cc1)C1CC1	843488853	SNZZZIMRWYLMBX-NSHDSACASA-N	290.363	1.611	10	20	CDCD	
O=C(NCc1ccccc1O)[C@@H]1CCc2ncncc2C1	843832487	NQFYFNLMKPYZEP-LLVKDONJSA-N	283.331	1.604	10	20	CDCD	
CCN1C(=O)/C(=C/c2cnc(N(C)C)n2C)SC1=S	840713770	VIYGCYLSQMRBIQ-TWGQIWQCSA-N	296.421	1.707	10	20	CDCD	
CC(=O)c1cc(F)cc(CNCC2(N)CCC2)c1O	843368085	ORWKTAWXJPUDLS-UHFFFAOYSA-N	266.316	1.705	10	20	CDCD	
COc1cccc([C@H](C)NC[C@@H](O)c2cnn(C)c2)c1O	846143087	APNCLPQWPMRRLV-GXFFZTMASA-N	291.351	1.519	10	20	CDCD	
COC[C@H](CO)N[C@H](C)c1ccc(Cl)cc1O	841752592	PWJPYOGIUQTNLB-SCZZXKLOSA-N	259.733	1.704	10	20	CDCD	
COc1cccc(CN2[C@@H](C)CNC[C@H]2C)c1O	843066303	UOCGKDZQVJIFEX-PHIMTYICSA-N	250.342	1.583	10	20	CDCD	
COc1cc(O)c(CN[C@H]2CO[C@H](C)C2)cc1OC	843433007	UDQLIOGSLCWFAA-MWLCHTKSSA-N	267.325	1.676	10	20	CDCD	
CCc1cccc(CN2CCN(C[C@@H](C)O)C[C@H]2C)c1O	848907890	KGSGNHUQWFKLPY-ZIAGYGMSSA-N	292.423	1.842	10	20	CDCD	
COCc1csc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c1	849178657	ZTSVPUCUOQWURO-UHFFFAOYSA-N	294.332	1.328	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN[C@@H](C)C(=O)NCCF	840943041	PWSBSBPHTGWQKK-LBPRGKRZSA-N	281.375	1.625	10	20	CDCD	
CCN(CCN)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	861620776	MBHJRVWNCLVEHZ-LBPRGKRZSA-N	278.400	1.804	10	20	CDCD	
O=C(NCCc1cscn1)NCc1ccccc1O	769085405	GBZMNDFYJNVEPQ-UHFFFAOYSA-N	277.349	1.891	10	20	CDCD	
OC[C@@H]1CSCCN1Cc1cccc(Cl)c1O	877780389	OWWJUCKLDTWZTE-SNVBAGLBSA-N	273.785	1.955	10	20	CDCD	
CN(C(=O)C(C)(C)CN1CCOCC1)c1ccc(N)cc1	877075381	ATSUKUKRKPDOGM-UHFFFAOYSA-N	291.395	1.590	10	20	CDCD	
CCN(C)c1ccc(CN2CCN(C(=O)NC)CC2)cc1	773780492	HGNKJZLRCBAWQH-UHFFFAOYSA-N	290.411	1.600	10	20	CDCD	
CCn1nccc1NC(=O)/C=C/c1ccc(O)c(O)c1	779511222	PMXLZLBRJNDZPX-GQCTYLIASA-N	273.292	1.966	10	20	CDCD	
COc1ccc(O)c([C@H](C)N[C@H](CO)C[C@@H]2CCCO2)c1	886670457	PQJUZNTZMGSTCX-OBJOEFQTSA-N	295.379	1.981	10	20	CDCD	
C[C@H](NCc1nnnn1CC1CC1)c1c(O)cccc1F	886592481	VHDSXHQKWBMFIT-VIFPVBQESA-N	291.330	1.779	10	20	CDCD	
CC[C@@H](C)[C@](C)(O)CNC(=O)NCc1ccc(N)cc1	1120681981	SGGGBTJFUPLVCM-IAQYHMDHSA-N	279.384	1.865	10	20	CDCD	
COc1ccc(CNCc2cc(C)[nH]n2)c(O)c1OC	893028799	NMWORUQAWRJYDI-UHFFFAOYSA-N	277.324	1.731	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)NCCCCO	787241185	FFGULBNIFZSVBH-UHFFFAOYSA-N	279.384	1.633	10	20	CDCD	
COCCCN(CCO)Cc1ccc(N(C)C)c(F)c1	783730714	WBUPOLIPEOEAMU-UHFFFAOYSA-N	284.375	1.723	10	20	CDCD	
COc1cc(C)cc(CN2CCN3C(=O)OC[C@H]3C2)c1O	894055111	PTAJXJBEZCDUJY-GFCCVEGCSA-N	292.335	1.346	10	20	CDCD	
C[C@H](OCC1CC1)C(=O)OCC(=O)c1ccc(O)c(O)c1	783205697	ZVOBVXNDGMKEEI-VIFPVBQESA-N	294.303	1.639	10	20	CDCD	
CC[C@H](CO)NCc1ccc(OC)c(OC)c1O	892478653	NGJCXKHJJXOUDL-SNVBAGLBSA-N	255.314	1.270	10	20	CDCD	
CCS(=O)(=O)CCN(C)Cc1cccc(OC)c1O	93643471	VFLGHCWJGBFDTO-UHFFFAOYSA-N	287.381	1.267	10	20	CDCD	
CCOc1ccc(CNC[C@@H]2COCO2)c(O)c1	894874029	VCOUCPAKLYIEMQ-GFCCVEGCSA-N	253.298	1.253	10	20	CDCD	
CCc1ncc(NC(=O)c2c(F)ccc(O)c2O)cn1	790077276	WZCQUAWRKWAVQQ-UHFFFAOYSA-N	277.255	1.842	10	20	CDCD	
COc1cccc(O)c1CN1CC[C@H](N2CCCC2=O)C1	792189035	ZYRMPYNURLHIEK-LBPRGKRZSA-N	290.363	1.598	10	20	CDCD	
CCN(Cc1cc2c(cc1O)OCO2)C[C@H]1CCOC1	738082345	QZEKQNDKAPZITL-LLVKDONJSA-N	279.336	1.979	10	20	CDCD	
CC[C@@H](NC(=O)C(=O)N(C)Cc1ccccc1O)C1CC1	1328585342	SKJGVTRPSZUDGT-CYBMUJFWSA-N	290.363	1.655	10	20	CDCD	
C[C@]1(CN)CCN(C(=O)NCc2ccc(N)cc2)C1	1338792713	HPKGLCFAEYERRE-CQSZACIVSA-N	262.357	1.149	10	20	CDCD	
O=C(NCc1cccc(O)c1O)c1conc1C1CC1	1347542466	MVAYMGBAGNLQCJ-UHFFFAOYSA-N	274.276	1.893	10	20	CDCD	
CC(C)(C)N1CC[C@H]1C(=O)NCc1cccc(O)c1O	1347542621	OVWPZPHGLBTUDU-NSHDSACASA-N	278.352	1.587	10	20	CDCD	
O=C(O)c1nccnc1NCc1cc(O)ccc1O	1609001080	CNULAHNSVPJOMP-UHFFFAOYSA-N	261.237	1.198	10	20	CDCD	
C[C@H](NC[C@]1(O)CCO[C@@H]1C)c1cc(F)ccc1O	228059102	JCHNBXYDTOJYLR-IMSIIYSGSA-N	269.316	1.722	10	20	CDCD	
CCN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@@H](C)C(=O)O	1589711102	JZJACZXEFKKSLG-QMMMGPOBSA-N	292.295	1.784	10	20	CDCD	
COc1cc(C)cc(CNC[C@@H](C)C(=O)O)c1O	1594054410	FNTRQJIEIQBDHL-SECBINFHSA-N	253.298	1.520	10	20	CDCD	
CC(=O)N1CC[C@@H](NCc2ccc(N(C)C)cc2)C1	152881907	KJDWFGFMLAEMIZ-CQSZACIVSA-N	261.369	1.463	10	20	CDCD	
COC[C@H](CNCc1ccc2c(c1)CCCO2)OC	921980316	QILKMYCSKCXVPC-AWEZNQCLSA-N	265.353	1.763	10	20	CDCD	
CCc1cccc(CN2CCS(=O)(=O)[C@@H](C)[C@@H]2C)c1O	848887707	CEGBNHVRDSOBBU-RYUDHWBXSA-N	297.420	1.962	10	20	CDCD	
Nc1ccc(CC(=O)N2CCO[C@@H]3CCC[C@H]32)cc1	43423262	MJHRYCQZJHGIJN-ZIAGYGMSSA-N	260.337	1.591	10	20	CDCD	
COc1ccc(O)c(CN[C@@H]2CCCCNC2=O)c1	36976485	HVXQPLMVJGRNOU-GFCCVEGCSA-N	264.325	1.159	10	20	CDCD	
COC1CCC(NC(=O)c2cccc(O)c2O)CC1	707453674	BPSOEVBOACCXJN-UHFFFAOYSA-N	265.309	1.785	10	20	CDCD	
C[C@H](C[S@](C)=O)NCc1cc(F)cc(F)c1O	708494378	HRYCXVOHZHBIAY-GJEGPGMTSA-N	263.309	1.527	10	20	CDCD	
CS[C@@H](CO)[C@H](C)NCc1cc(F)cc(F)c1O	708466698	ULWADCKMFUTUNN-CPCISQLKSA-N	277.336	1.872	10	20	CDCD	
COCCCNC(=O)NCc1ccc2c(c1)CCCN2C	58483260	ZFUJPBAWYWYKBV-UHFFFAOYSA-N	291.395	1.905	10	20	CDCD	
C[C@@H]1CS(=O)(=O)CCN1Cc1ccccc1O	179577162	QUQRVHHCUJVGJZ-SNVBAGLBSA-N	255.339	1.011	10	20	CDCD	
CN(Cc1ccccc1O)c1ncnc(-n2cccn2)c1N	302625401	HXGXZQUVMHXYOM-UHFFFAOYSA-N	296.334	1.587	10	20	CDCD	
O=S(=O)(CCCF)NCCCSc1nccs1	174009662	STFHFEXHIYDMTP-UHFFFAOYSA-N	298.430	1.904	10	20	CDCD	
Cc1ccc(O)c([C@@H](C)NC[C@@H](C)N2CCN(C)CC2)c1	185364111	RNCZTBBHTJNPRB-HUUCEWRRSA-N	291.439	1.987	10	20	CDCD	
CNC(=O)C(C)(C)CN[C@@H](C)c1ccccc1O	183838814	AYPQVOFHKQXSEL-JTQLQIEISA-N	250.342	1.815	10	20	CDCD	
CCN(Cc1cccc(Cl)c1O)[C@H]1CCNC1=O	281722683	IOHRAZKATOSOQT-NSHDSACASA-N	268.744	1.756	10	20	CDCD	
Cc1cc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)no1	183416213	FAJXZJMKRBILHF-MRVPVSSYSA-N	276.292	1.755	10	20	CDCD	
CCCC[C@H](N)C(=O)N(C)Cc1ccccc1O	37823787	GIMRLVPEKWNMPQ-LBPRGKRZSA-N	250.342	1.868	10	20	CDCD	
Nc1ccc(CC(=O)NCCOC[C@@H]2CCCO2)cc1	238113182	TUOGUAMPFXLFPX-AWEZNQCLSA-N	278.352	1.123	10	20	CDCD	
COC[C@@H](CNCc1cc(Cl)ccc1O)OC	227705615	MIIKOQAGUHAMOA-LLVKDONJSA-N	259.733	1.797	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H]2C[C@@H](O)C2(C)C)c(O)c1O	190590317	IXEQGFHEWLUUFR-NXEZZACHSA-N	265.309	1.295	10	20	CDCD	
O=[N+]([O-])c1cc(Cl)cc(CN2CCC[C@H](O)C2)c1O	270986473	FZWRCUYZKZJENX-JTQLQIEISA-N	286.715	1.911	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@]2(F)CCNC2)cc1F	366346798	MOQNOPBSARWWDD-AWEZNQCLSA-N	283.322	1.210	10	20	CDCD	
Cc1ccc(C(=O)N(C)[C@@H](C)C[S@](C)=O)c(O)c1O	274524863	PNSROTKYRUJLRB-UGZDLDLSSA-N	285.365	1.245	10	20	CDCD	
CCN1CCC[C@H]1CNC(=O)/C=C/c1ccc(O)c(O)c1	272445740	MYSYXOAQHLJHTD-CFNZNRNTSA-N	290.363	1.712	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNCCn2ccnc2)c1O	278629592	GTANVDCIBRANRD-UHFFFAOYSA-N	292.295	1.295	10	20	CDCD	
COC(=O)C[C@H](C)CC(=O)N(C)Cc1ccccc1O	289334814	VJQNGRQOBBSTJV-LLVKDONJSA-N	279.336	1.940	10	20	CDCD	
CC[C@H](N[C@@H](CO)COC)c1ccc(C)cc1O	281230421	URNAZVVVFJGFGT-AAEUAGOBSA-N	253.342	1.749	10	20	CDCD	
COc1ccc(C(=O)OCC(=O)C(C)=O)cc1OC	808487696	GESYSQQMVPUUSD-UHFFFAOYSA-N	266.249	1.019	10	20	CDCD	
COCCO[C@@H]1CCN(C(=O)c2c(F)ccc(O)c2O)C1	295339820	PRRKOTBHDJCKQO-SECBINFHSA-N	299.298	1.114	10	20	CDCD	
COC(=O)c1cnc(SCc2nc(C)no2)s1	295409180	XFVSIXFDKKNRAT-UHFFFAOYSA-N	271.323	1.913	10	20	CDCD	
CC(C)[C@H](O)C(=O)NCc1ccc(N(C)C)c(F)c1	291579390	UOHNTQJEFRTOOE-ZDUSSCGKSA-N	268.332	1.525	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC[C@H](O)CN(C)C2CC2)c1	809972079	QHFBJHVEBPQARM-YPMHNXCESA-N	294.395	1.507	10	20	CDCD	
COC[C@@]1(CN[C@@H](C)c2cc(OC)ccc2O)CCCN1	817974193	JDRCWKBLFUYMTL-LRDDRELGSA-N	294.395	1.820	10	20	CDCD	
CCOC[C@H](O)CN[C@@H](C)Cc1ccc(N(C)C)cc1C	819373929	DZPNLZNWSGDIQU-WMLDXEAASA-N	294.439	1.979	10	20	CDCD	
C[C@@H](NC(=O)CCc1ccncn1)c1ccccc1O	827946720	QDOAFNDACVSUOY-LLVKDONJSA-N	271.320	1.992	10	20	CDCD	
CCN1C[C@H](NCc2ccc(N(C)C)c(F)c2)CC1=O	824887093	PSTRRQALPBOHBY-GFCCVEGCSA-N	279.359	1.602	10	20	CDCD	
O=C(O)[C@@H]1CN(Cc2cc3c(cc2O)CCCC3)CCO1	821512257	GDIIWMOVHWUIQR-HNNXBMFYSA-N	291.347	1.556	10	20	CDCD	
C[C@@H](CN)C(=O)NCCCSc1nccs1	829528035	JNNKOVJHPNMFSI-QMMMGPOBSA-N	259.400	1.336	10	20	CDCD	
CCOc1ccc(N(C)C[C@H](O)COCCOC)cc1	827873058	MLVJTRRUXJUDAH-AWEZNQCLSA-N	283.368	1.545	10	20	CDCD	
Oc1cc2c(cc1CN1CCO[C@@H]3COCC[C@@H]31)CCC2	902626246	SMGBNIXMHLOZDT-DOTOQJQBSA-N	289.375	1.871	10	20	CDCD	
CC(C)N1CC[C@H](CNC(=O)c2cc(O)cs2)C1	731871252	HYNHZXKTSRCCFF-SNVBAGLBSA-N	268.382	1.914	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)NC[C@]1(C)CCOC1	733651965	ZQGBFJXVDRJVTF-HNNXBMFYSA-N	278.352	1.960	10	20	CDCD	
C[C@]1(C(=O)NCc2ccc(O)c(O)c2)CCCCO1	837486084	UNZSTAQQRNBASZ-CQSZACIVSA-N	265.309	1.673	10	20	CDCD	
COc1cc(O)c(CN[C@@H]2CC[C@@H](CN)C2)cc1OC	841085275	XWVLPKBUBHDPON-ZYHUDNBSSA-N	280.368	1.626	10	20	CDCD	
CNC(=O)C[C@@H](C)NC(=O)NCc1cc(Cl)ccc1O	845240704	WAWDWHJDHVFGPK-MRVPVSSYSA-N	299.758	1.369	10	20	CDCD	
COc1ccc(N2CC[C@@H](CNC3=NC[C@@H](C)N3)C2)cc1	849043367	ANRCTXHGFJLBPT-OLZOCXBDSA-N	288.395	1.459	10	20	CDCD	
CC(C)[C@H](C(=O)O)C(=O)NCc1ccccc1O	843329189	ZOPZKLVMGXGMEJ-NSHDSACASA-N	251.282	1.365	10	20	CDCD	
CC[C@@H](C(N)=O)N(C)CCN(C)c1ccc(OC)cc1	844399442	JLTLICNGNDVEDU-AWEZNQCLSA-N	279.384	1.327	10	20	CDCD	
CN(C)C(=O)CCNC(=O)NCc1cc(Cl)ccc1O	844889781	PRHSFVPZMSULCR-UHFFFAOYSA-N	299.758	1.323	10	20	CDCD	
COc1cccc(CNC(=O)C[C@@H]2CCOC2)c1O	740082720	TXJNGGNUCZFHQE-JTQLQIEISA-N	265.309	1.444	10	20	CDCD	
CCCCNC(=O)[C@@H](C)OC(=O)c1cccc(O)c1O	758561777	MOQDURQYTYVQFW-SECBINFHSA-N	281.308	1.559	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N1C[C@H]2C=C[C@H]1C2	922055677	SDVINDBSQWTPTH-QGILPKKRSA-N	257.289	1.898	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CCc2ccon2)cc1	854270842	RMKSEAZRCTYERY-UHFFFAOYSA-N	273.336	1.990	10	20	CDCD	
NC(=O)c1cc(C(=O)NCc2ccccc2O)co1	759959521	UEEKMNJXVYSOST-UHFFFAOYSA-N	260.249	1.014	10	20	CDCD	
CCOc1cccc(CN(C)[C@@]2(CO)CCOC2)c1O	862427147	UVFPVMGTPZYANG-OAHLLOKOSA-N	281.352	1.374	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@H]2CCc3cncn3C2)c1	862755901	MVUQJYDIVDUBJG-LBPRGKRZSA-N	285.347	1.776	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@@H](C)N2CCSCC2)c1	862757974	KTAGXEAPBUJBDG-GFCCVEGCSA-N	294.420	1.754	10	20	CDCD	
CN(C(=O)/C=C/c1ccc(O)c(O)c1)c1ccn(C)n1	774177804	WBARDSYTOOMGJF-GQCTYLIASA-N	273.292	1.508	10	20	CDCD	
Cc1cccc(O)c1CN1CCN(C[C@H](C)O)CC1	876686684	FWHGCNKIVUHINA-ZDUSSCGKSA-N	264.369	1.199	10	20	CDCD	
Cc1nc(N)nc(C)c1C(=O)NCc1ccc(N(C)C)cc1	777840301	ZIDDHANEWFEQLL-UHFFFAOYSA-N	299.378	1.672	10	20	CDCD	
CC(C)N1CCN(Cc2c(O)ccc3ccncc23)CC1=O	779882172	HQKAQGIHEBSTOW-UHFFFAOYSA-N	299.374	1.993	10	20	CDCD	
CCCOc1ccc(CN[C@@H]2C[C@H](O)[C@H](O)C2)cc1C	886252025	RINFRQLIZXEKJP-QDMKHBRRSA-N	279.380	1.758	10	20	CDCD	
C[C@@H](O)CNCc1ccc(N2CCC(O)CC2)cc1	76275563	VKWARKRSAKDUEJ-GFCCVEGCSA-N	264.369	1.118	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N[C@H](CO)CC1CC1	779547424	KVONVNSMXUCWCU-FUEXJSSKSA-N	277.320	1.388	10	20	CDCD	
CN(C)c1ccc(CN2C[C@H]3[C@@H](O)CC[C@H]3C2)cc1	886573973	GQUHOYSNXJGWGE-IMJJTQAJSA-N	260.381	1.955	10	20	CDCD	
NC(=O)[C@@H]1CCC[C@H](C(=O)NCc2ccc(O)c(O)c2)C1	787132201	WHMHYPYSAXBUCT-MNOVXSKESA-N	292.335	1.006	10	20	CDCD	
Cc1noc(CN(C)Cc2cc(F)cc(F)c2O)n1	895190448	PEDSXVLPOUBBOG-UHFFFAOYSA-N	269.251	1.994	10	20	CDCD	
Oc1cccc(Br)c1CN[C@@H]1COC[C@H]1O	706805280	XHFYGOHMBIUECW-MWLCHTKSSA-N	288.141	1.004	10	20	CDCD	
CN1C(=O)/C(=C\c2cnnn2C)c2cc(Cl)ccc21	799501597	JFAHPNSRHJJJCW-WDZFZDKYSA-N	274.711	1.986	10	20	CDCD	
C[C@@H](CS(C)(=O)=O)N(C)Cc1ccc(N)cc1	688559591	QRPVSHGNWKXGMX-JTQLQIEISA-N	256.371	1.134	10	20	CDCD	
CN(C[C@H]1CCCN1C)C(=O)Nc1ccc(N)cc1	92633756	AIXZLYVUWITGKH-CYBMUJFWSA-N	262.357	1.827	10	20	CDCD	
CCOc1ccc(CN[C@@H](CC)C(=O)O)c(O)c1	1326502194	TUDUEUZOHJAIQZ-NSHDSACASA-N	253.298	1.744	10	20	CDCD	
COC[C@H](C)NCc1ccc(N2CCN(C)CC2)c(F)c1	1331287519	IZWKDHRFTIGXCH-ZDUSSCGKSA-N	295.402	1.702	10	20	CDCD	
CCOC[C@@H]1CCN(C(=O)NCc2ccc(N)cc2)C1	1336289990	DYSWMNTZPUVOIS-CYBMUJFWSA-N	277.368	1.837	10	20	CDCD	
Nc1ccc(CNC(=O)c2cc3c(cn2)OCCC3)cc1	1263304312	YUHPFFNDXDKFDZ-UHFFFAOYSA-N	283.331	1.919	10	20	CDCD	
Nc1ccc(NC(=O)C(=O)NC[C@@H]2C[C@H]3C=C[C@H]2C3)cc1	1352846673	ZQKKFDYPXXSRBI-SRVKXCTJSA-N	285.347	1.536	10	20	CDCD	
CN(Cc1ccccc1O)c1nnc([C@H]2CC=NO2)n1C	1350896308	YQFLNYHNXGHZHP-GFCCVEGCSA-N	287.323	1.604	10	20	CDCD	
COc1ccc(O)c(CNC[C@H](C)N(C)C2CC2)c1	224805561	MBEFIDGKQHWUDE-NSHDSACASA-N	264.369	1.973	10	20	CDCD	
C[C@@H](CC(=O)O)NCc1cc([N+](=O)[O-])ccc1O	1609888893	UDLIJVRVXZVPAR-ZETCQYMHSA-N	254.242	1.253	10	20	CDCD	
O=C(NCc1ccccc1O)c1ccc(-c2nn[nH]n2)o1	1606839506	IJJHYIPWVRJCSJ-UHFFFAOYSA-N	285.263	1.095	10	20	CDCD	
CN(C)c1ccc(CNCCc2ccn(C)n2)cc1	230881362	KRXOEFLYOVLZQD-UHFFFAOYSA-N	258.369	1.818	10	20	CDCD	
Cc1ccc(O)c([C@H](C)NCCS(=O)(=O)N(C)C)c1	230987755	WUMXFULHCGLXOY-NSHDSACASA-N	286.397	1.243	10	20	CDCD	
O=C(NCc1ccc(N2CCCCC2)cc1)[C@]12CNC[C@@H]1C2	1580713548	BZAFSDXZRPNXKY-MAUKXSAKSA-N	299.418	1.903	10	20	CDCD	
C[C@@H](CCO)CN[C@H](C)c1cc(C(=O)O)ccc1O	1592529935	JDAPIYNAGOXPJI-VHSXEESVSA-N	267.325	1.760	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)[C@@H]1CC1(Cl)Cl	159043858	ODJCUJPDHWDRSF-ZETCQYMHSA-N	276.119	1.908	10	20	CDCD	
C[C@@H](NCCO[C@H]1CCOC1)c1ccc(F)cc1O	927081796	WGMPAQPUAKFBNB-PWSUYJOCSA-N	269.316	1.987	10	20	CDCD	
C[C@H](NC[C@@H]1CCCNC1=O)c1ccc(F)cc1O	840825610	HUGJVRSIIQRICP-UWVGGRQHSA-N	266.316	1.708	10	20	CDCD	
Nc1ccc(CC(=O)NC[C@@H]2C[C@@H]3CC[C@H](C2)N3)cc1	870974158	IHDCOHWMQPQNMV-YOWGUQMCSA-N	273.380	1.458	10	20	CDCD	
CCOc1cccc(CN2C[C@@H](CN)C[C@H]2C)c1O	250504252	CCNKSURQSBEUHJ-VXGBXAGGSA-N	264.369	1.960	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NCCn2ccnc2)c1	41119084	QMFDOKJFJHEEDJ-LLVKDONJSA-N	261.325	1.948	10	20	CDCD	
C[C@@H](CCCO)CNC(=O)c1cccc(O)c1O	295309971	CFQKOGBQFFVEPC-VIFPVBQESA-N	253.298	1.236	10	20	CDCD	
C[C@H]1[C@H](N(C)C)CCN1C(=O)c1cccc(O)c1O	312049296	WMBICONETCZDRN-GXSJLCMTSA-N	264.325	1.262	10	20	CDCD	
Cc1cccc(NC=C2C(=O)N(C)C(=O)N(C)C2=O)c1C	60860842	ZXQDKFDUFWXFBD-UHFFFAOYSA-N	287.319	1.650	10	20	CDCD	
CCCN(CCO)Cc1cc(OC)c(OC)cc1O	179576139	SCTJYXKDDBSKGR-UHFFFAOYSA-N	269.341	1.614	10	20	CDCD	
COc1ccc(O)c(CNC(=O)NC[C@H](C)SC)c1	126875102	MYBGBRGLEQHXKP-VIFPVBQESA-N	284.381	1.952	10	20	CDCD	
Cc1ccc([C@@H](C)NCCS(C)(=O)=O)c(O)c1	37740602	NPZPWHOIGZLOFH-SNVBAGLBSA-N	257.355	1.396	10	20	CDCD	
Cc1ccc([C@H](C)NCCCOCCO)c(O)c1	186514413	SGPBIJLYYDAHNI-LBPRGKRZSA-N	253.342	1.750	10	20	CDCD	
N#Cc1ccc(O)c(NC(=O)c2cccc(O)c2O)c1	187161777	OLHWIDOKMAZLQZ-UHFFFAOYSA-N	270.244	1.927	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)NCCC1(C)OCCO1	185111604	WKLNRBKWGSJURO-UHFFFAOYSA-N	294.351	1.687	10	20	CDCD	
CCS(=O)(=O)CCN[C@@H](C)c1ccccc1O	183487676	KYTDZUFHIMRVGI-JTQLQIEISA-N	257.355	1.478	10	20	CDCD	
COCc1noc(CN[C@H](C)c2cc(OC)ccc2O)n1	180251080	FGUDRTKDSALAHH-SECBINFHSA-N	293.323	1.781	10	20	CDCD	
Cc1n[nH]nc1C(=O)NCCCSc1nccs1	194109095	PLWQOFCELUYPDK-UHFFFAOYSA-N	283.382	1.482	10	20	CDCD	
Cc1cc(C)n(CCCNC(=O)Cc2ccc(N)cc2)n1	133548092	OVEJLRPPAFWNFX-UHFFFAOYSA-N	286.379	1.831	10	20	CDCD	
CCNC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	49177002	RXFDHMKEJGQULU-GFCCVEGCSA-N	277.368	1.903	10	20	CDCD	
Cc1cccc(CN2CCS(=O)(=O)CC[C@H]2C)c1O	192059901	IJVRBSJRFZMBKP-GFCCVEGCSA-N	283.393	1.710	10	20	CDCD	
CCNC(=O)CN(C)Cc1cc(Cl)ccc1O	133176848	OSLURZFBWCHGRS-UHFFFAOYSA-N	256.733	1.614	10	20	CDCD	
CCN(CC)c1ccc(CN[C@H]2CC(=O)N(C)C2)cc1F	265804615	UKSJICNJPVKWDL-ZDUSSCGKSA-N	293.386	1.992	10	20	CDCD	
C[C@@]1(N)CCCC[C@H]1C(=O)NCCc1ccc(N)cc1	263196332	IKTHLFWXDNJFDT-GOEBONIOSA-N	275.396	1.835	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H]2CCCC[C@H]2O)c1O	278106096	AQZJARNUACMGJB-ZYHUDNBSSA-N	296.323	1.702	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)NCC2(C)COC2)c1	273591894	PKOOCUMYCYCCNX-SNVBAGLBSA-N	279.336	1.866	10	20	CDCD	
COc1cccc(CN2CCOC[C@@H]2[C@H]2CCCO2)c1O	377689453	BPXKNLXAZKTAKG-ZIAGYGMSSA-N	293.363	1.781	10	20	CDCD	
CCc1c(C(=O)NCCc2ccc(O)c(O)c2)ccn1C	291348049	RYVJWMFTINNLTC-UHFFFAOYSA-N	288.347	1.971	10	20	CDCD	
COc1cccc(O)c1CNCCN1CCCOCC1	809751047	NVBHTGWFBHGOFS-UHFFFAOYSA-N	280.368	1.213	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC[C@@H]2CCCN2)c1	817951214	BRHAIEXKJJUAMF-QWRGUYRKSA-N	250.342	1.803	10	20	CDCD	
C[C@H]1CN(c2ccc(CNC[C@@H](C)O)cc2F)C[C@H](C)O1	818967694	ZJLHGSWBBCEJJV-AGIUHOORSA-N	296.386	1.910	10	20	CDCD	
Cn1nncc1/C=C1\C(=O)N2CCCc3cccc1c32	817345621	LCRKTNSGZIQTJA-JYRVWZFOSA-N	266.304	1.649	10	20	CDCD	
Cc1ccc([C@H](C)NC[C@@H]2CNCCO2)c(O)c1C	817983605	OOFIKZGLGXPUEF-STQMWFEESA-N	264.369	1.648	10	20	CDCD	
CCOc1ccc(CN[C@@H]2CCC(=O)N(C)C2=O)c(O)c1	818233884	QEOFEZULEXRYIX-GFCCVEGCSA-N	292.335	1.028	10	20	CDCD	
CC[C@@H](NCC(=O)N1CCNCC1)c1ccc(C)cc1O	817945470	DKMUFMOSAOWWTF-CQSZACIVSA-N	291.395	1.173	10	20	CDCD	
CCOc1ccc(CNC(COC)COC)c(O)c1	824921384	KTILGOSBEUGQFV-UHFFFAOYSA-N	269.341	1.542	10	20	CDCD	
O=C(/C=C/c1cncc(O)c1)N1C[C@@H](CO)c2ccccc21	492975442	VBEBRMDIYMJVAA-GFUIURDCSA-N	296.326	1.923	10	20	CDCD	
Cc1cc(O)c(CNCC2(O)CCOCC2)cc1Cl	825241399	RLTVYYNJVMCXKS-UHFFFAOYSA-N	285.771	1.985	10	20	CDCD	
Cn1ccnc1CNC(=O)NCc1ccccc1O	728747652	MBWWBWZIOOBKBM-UHFFFAOYSA-N	260.297	1.125	10	20	CDCD	
COC(OC)C(=O)NCc1cc(Cl)ccc1O	824214512	ZNUVODCBCNKCGM-UHFFFAOYSA-N	259.689	1.281	10	20	CDCD	
C[C@H]1C[C@@H](NC(=O)NCc2ccc(N(C)C)cc2)CO1	825602667	LPTJLILQERWHHS-WCQYABFASA-N	277.368	1.729	10	20	CDCD	
C[C@@H](NC(=O)[C@H](O)c1cnn(C)c1)c1ccccc1O	827946541	LIQZFUQTYVDJRL-NOZJJQNGSA-N	275.308	1.037	10	20	CDCD	
COCCCNC(=O)CN[C@@H](C)c1ccc(N(C)C)cc1	839564219	SICSIKQHIVRCSJ-ZDUSSCGKSA-N	293.411	1.556	10	20	CDCD	
COc1ccc(O)c(CNC(=O)COC[C@@H]2CCCO2)c1	734018696	CZHOVXCWSABDPH-ZDUSSCGKSA-N	295.335	1.213	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCO[C@@H](C)C1	734687177	MLBWCNFRICIODG-ZDUSSCGKSA-N	291.395	1.991	10	20	CDCD	
Nc1ccc(CCNC(=O)NCC2(CO)CCCC2)cc1	841959952	SOVJGFSXMRKCFZ-UHFFFAOYSA-N	291.395	1.663	10	20	CDCD	
CN(C[C@@H]1CCC[C@@H]1O)C(=O)NCCc1ccc(N)cc1	841956573	CBPCMNGLZMPJCE-ZFWWWQNUSA-N	291.395	1.614	10	20	CDCD	
CCOc1ccc(O)c(CN2C[C@@H](F)C[C@H]2CNC)c1	843122420	SHEANRTZYWJCFD-STQMWFEESA-N	282.359	1.923	10	20	CDCD	
CC(C)OC(=O)CCNC(=O)NCCc1ccc(N)cc1	841670058	WIOOSHLNIKPAOI-UHFFFAOYSA-N	293.367	1.452	10	20	CDCD	
C[C@@H](NC(=O)NC[C@@H]1CCN1C)c1ccccc1O	925430919	ZTRGZWZPZNVVJX-MNOVXSKESA-N	263.341	1.457	10	20	CDCD	
COC(=O)[C@H](NC(=O)c1cc(O)cs1)C1CC1	752808222	ROASFKKZMYMLGC-SECBINFHSA-N	255.295	1.135	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NC[C@@H]2CCN2C)c1	925432931	ZZSMTTDGEZRHIX-LBPRGKRZSA-N	263.341	1.204	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](C)CNC	851682130	ULFZOMKLNPISSE-ZDUSSCGKSA-N	292.427	1.892	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H]1CCO[C@H]1C	935948508	NQZDRAHSLQABLA-WDEREUQCSA-N	284.352	1.919	10	20	CDCD	
C[C@@H]1[C@@H](N(C)C)CCN1C(=O)/C=C/c1ccc(O)c(O)c1	854654197	JKLVQQVVSKXKNL-HASJVIIQSA-N	290.363	1.662	10	20	CDCD	
CC1(CCNC(=O)/C=C\c2ccc(O)c(O)c2)OCCO1	760107362	UHDXZXZXBUSQBD-HYXAFXHYSA-N	293.319	1.380	10	20	CDCD	
CCOc1ccc(CNC[C@]2(OC)CCOC2)c(O)c1	763479372	HZOUKAWWQUHROU-OAHLLOKOSA-N	281.352	1.686	10	20	CDCD	
CCN(CC)c1ccc(CN2CCCNC(=O)C2)cc1F	769115155	OZCFDQHCKZAEML-UHFFFAOYSA-N	293.386	1.994	10	20	CDCD	
OC1CCN(c2ccc(CNC[C@H]3C[C@H](O)C3)cc2)CC1	877811847	ZYKYFFZJQRXEHG-CZIWCDLHSA-N	290.407	1.508	10	20	CDCD	
C/C=C/[C@@H]1CNC[C@H]1C(=O)NCc1ccc(OC)cc1O	876911135	VYJCYIQQKSKLCS-UUSVCDRXSA-N	290.363	1.429	10	20	CDCD	
Cc1nnc(COC(=O)c2ccc(C)c(O)c2O)s1	773500790	IWWALKPVBOXCAE-UHFFFAOYSA-N	280.305	1.923	10	20	CDCD	
Cc1cccc(O)c1CN1CCC[C@H](CC(N)=O)C1	876780532	HBUHWGCKWXBOSF-GFCCVEGCSA-N	262.353	1.788	10	20	CDCD	
COc1cc(C)cc([C@H]2NC(=O)[C@@H]3CSCCN23)c1O	887330100	XXDAENDOYMYFRZ-GWCFXTLKSA-N	294.376	1.255	10	20	CDCD	
CC[C@H](C(=O)NCc1ccc(N(C)C)cc1)[C@@H](C)O	789944182	MRAYUDPQMOKMIN-RISCZKNCSA-N	264.369	1.776	10	20	CDCD	
COc1cc(C)cc(CN2CC[C@H](CO)C2)c1O	893985316	BBYYUMUJFPKKGH-NSHDSACASA-N	251.326	1.523	10	20	CDCD	
CCN(CC(N)=O)Cc1cc(C)cc(OC)c1O	894542470	ZTPIKWOSFWVVPZ-UHFFFAOYSA-N	252.314	1.016	10	20	CDCD	
NC(=O)[C@H]1CCCCN1Cc1cc(F)cc(F)c1O	893904731	MLXDNILBDMOSCI-LLVKDONJSA-N	270.279	1.510	10	20	CDCD	
CCN1CC[C@@H](N[C@@H](C)c2cc(OC)ccc2O)C1=O	708695612	KPMPLTUHUIIPPW-GXFFZTMASA-N	278.352	1.672	10	20	CDCD	
COc1ccc(CNC(=O)c2csc(O)n2)c(O)c1	794377801	KMJYWHJVCHNCRM-UHFFFAOYSA-N	280.305	1.493	10	20	CDCD	
COc1ccc(CNC(=O)c2ncccn2)c(O)c1	794382691	FOQJYMGRFJKXEK-UHFFFAOYSA-N	259.265	1.121	10	20	CDCD	
C[C@H](CS(C)(=O)=O)NCc1ccc(N2CCCC2)cc1	78640384	KJBSVIYTNFTWKU-CYBMUJFWSA-N	296.436	1.810	10	20	CDCD	
CC(=O)NCCC1=CCN(c2cncc(Cl)n2)CC1	1089802512	QJUVQQUNCAAKEH-UHFFFAOYSA-N	280.759	1.793	10	20	CDCD	
CC(=O)N1CC(C(=O)Nc2c(Cl)ccc3nonc23)C1	1329518919	OQFGIQNNMKUINY-UHFFFAOYSA-N	294.698	1.293	10	20	CDCD	
O=C(O)[C@@]1(O)CCN(Cc2ccc(Cl)cc2O)C1	1601723484	OVMVADAKCHGGFZ-GFCCVEGCSA-N	271.700	1.067	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1C[C@H]1F	1338824385	HTASZQRQLRJFJL-GHMZBOCLSA-N	264.300	1.836	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H]1[C@H]2CCCO[C@H]21	1338999333	SCJWXYVPWVJGIR-RIEGTJTDSA-N	296.363	1.919	10	20	CDCD	
CC(C)[C@H](O)C1(CNC(=O)NCc2ccc(N)cc2)CC1	1353540916	ZIIJPRGEJVBYOM-AWEZNQCLSA-N	291.395	1.865	10	20	CDCD	
COc1cccc(CNCC2(O)CCOCC2)c1O	112717356	GUYSHMPNWPLKMJ-UHFFFAOYSA-N	267.325	1.032	10	20	CDCD	
COc1cccc(CNc2cc(-c3nn[nH]n3)ccn2)c1O	1605318507	YAYMPXMWNOOPQO-UHFFFAOYSA-N	298.306	1.588	10	20	CDCD	
COc1ccc(N2CC[C@H](N[C@H]3C[C@@H](N)C3(C)C)C2)cc1	1579224732	UPMGBNUUPTURHB-MAZHCROVSA-N	289.423	1.989	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CC[C@H]2C(=O)O)c1	1594105181	GVOWHRLMGPSIMU-INTQDDNPSA-N	293.319	1.689	10	20	CDCD	
C[C@H](O)CCOc1ccc(N(C)C)c(C(=O)O)c1	1593446280	CZUWRYCKBNKIBT-VIFPVBQESA-N	253.298	1.601	10	20	CDCD	
CCN(CC)c1ccc(CNC[C@](C)(O)CC(=O)O)cc1	1776861354	BUANCTBGKUSYLA-MRXNPFEDSA-N	294.395	1.848	10	20	CDCD	
COc1ccccc1CC(=O)NCc1ccc(O)c(O)c1	158861026	VBFUADNSOIHGRV-UHFFFAOYSA-N	287.315	1.965	10	20	CDCD	
Cc1nnc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)s1	152982975	OVIMZWQWFJKDQU-SSDOTTSWSA-N	293.348	1.619	10	20	CDCD	
CCOc1ccc(O)c(CN(C)CCS(C)(=O)=O)c1	155193270	ZSRDCIRIOZVBFG-UHFFFAOYSA-N	287.381	1.267	10	20	CDCD	
Cc1ccc(O)c([C@H](C)NCC2(O)CCN(C)CC2)c1	273607922	UUKBFYCZEOCRBO-ZDUSSCGKSA-N	278.396	1.808	10	20	CDCD	
CNC(=O)CCCN[C@@H](C)c1cc(OC)ccc1O	273605188	TYIAKBJONUSJDC-JTQLQIEISA-N	266.341	1.578	10	20	CDCD	
Cn1cc(S(=O)(=O)Nc2ccc(O)cc2)cc1C(=O)O	35229992	HLHFHANCXTYXFO-UHFFFAOYSA-N	296.304	1.230	10	20	CDCD	
CC(=O)N1CCC[C@H](C(=O)Nc2ccc(N)cc2)C1	160350289	JKKIMWORMJGVEH-NSHDSACASA-N	261.325	1.466	10	20	CDCD	
CN1CCCc2cc(CNS(C)(=O)=O)ccc21	58511117	IWDYVZMIRUBGPG-UHFFFAOYSA-N	254.355	1.118	10	20	CDCD	
CC(C)[C@@H]1C(=O)NCCN1Cc1cc(F)ccc1O	180070407	JUBUDINVEZWAEM-CYBMUJFWSA-N	266.316	1.488	10	20	CDCD	
Cc1ccc(C(=O)NC[C@H](O)CC(C)(C)C)c(O)c1O	182466038	WCSIBBOLJOJPRI-SNVBAGLBSA-N	281.352	1.933	10	20	CDCD	
C[C@@H](CO)NC(=O)/C=C/c1ccc(N2CCOCC2)cc1	125818108	XDKUMNZZQKWENB-LVDDQXARSA-N	290.363	1.033	10	20	CDCD	
O=C(O)CC1(NC(=O)c2cccc(O)c2O)CCC1	126064063	OEXVWTAVZYPXRC-UHFFFAOYSA-N	265.265	1.225	10	20	CDCD	
COCCCCCNC(=O)c1cccc(O)c1O	192992752	PQZXCZQSINFVSR-UHFFFAOYSA-N	253.298	1.644	10	20	CDCD	
C[C@H](NCc1ncn(C)n1)c1cc([N+](=O)[O-])ccc1O	273460300	HXKKASFMLYUESI-QMMMGPOBSA-N	277.284	1.280	10	20	CDCD	
CCOC(=O)[C@H](C)CNC(=O)/C=C/c1ccc(O)c(O)c1	272703516	WQZALYSOQVRJBF-BREXMAIKSA-N	293.319	1.426	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCOC[C@H]1c1ccco1	376555653	IUYVJMKJKOMTAL-NSHDSACASA-N	289.287	1.905	10	20	CDCD	
Cc1cccc(CN2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)c1O	373738391	OUOLCIRVARQHHR-UBHSHLNASA-N	274.364	1.786	10	20	CDCD	
COc1cccc(CN2CCN(C[C@@H](C)O)C[C@@H]2C)c1O	284289253	IAAFJMHTLGAMLJ-QWHCGFSZSA-N	294.395	1.288	10	20	CDCD	
C[C@H](CO)N(C)C(=O)NCc1ccc(N(C)C)c(F)c1	287141119	HMADISNLAPLHKP-SNVBAGLBSA-N	283.347	1.414	10	20	CDCD	
O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1CCN1	827004603	LLWOXZKEKMFROQ-CQSZACIVSA-N	259.353	1.265	10	20	CDCD	
COc1ccc(O)c(CNC(=S)NC2CC2)c1	733906441	LXFJAJPSPGBVAR-UHFFFAOYSA-N	252.339	1.527	10	20	CDCD	
COc1cc2c(c(OC)c1)N(CC(=O)N(C)C)CCC2	839654703	PJJUIXXRENVOQL-UHFFFAOYSA-N	278.352	1.545	10	20	CDCD	
CC(C)C[C@@H]1C(=O)NCCN1C(=O)c1cc(O)cs1	831885194	XBVXOKWMFBYECJ-SNVBAGLBSA-N	282.365	1.440	10	20	CDCD	
CC[C@](C)(CC(=O)OC)NCc1cc2c(cc1O)OCO2	748243306	XNRSLCYQDINWHW-OAHLLOKOSA-N	295.335	1.942	10	20	CDCD	
C[C@H](CN)CNCc1cccc(Br)c1O	841049225	OMWVXEQKJIYVQY-MRVPVSSYSA-N	273.174	1.839	10	20	CDCD	
CS[C@@H](C)CNC(=O)NCCc1ccc(N)cc1	841862937	CRZFBYOOKXOVON-JTQLQIEISA-N	267.398	1.862	10	20	CDCD	
CNCCCNC(=O)N(C)Cc1ccccc1O	841914898	KXTFHOHASZNUCR-UHFFFAOYSA-N	251.330	1.143	10	20	CDCD	
CCOc1ccc(O)c(CN2CCCO[C@@H](CN)C2)c1	841101197	RMAHHCZQDWEEJN-AWEZNQCLSA-N	280.368	1.341	10	20	CDCD	
Nc1ccc(CCNC(=O)[C@H]2CCc3nccn3C2)cc1	848395222	QXBOSFAIHKSMBG-ZDUSSCGKSA-N	284.363	1.387	10	20	CDCD	
CCCNC(=O)CNC(=O)NCc1cc(C)ccc1O	858098117	GAWSQQLRMDSQCU-UHFFFAOYSA-N	279.340	1.026	10	20	CDCD	
CO[C@@]1(C)C[C@H]1NC(=O)NCc1ccc(N(C)C)c(F)c1	852687078	GBDZHZKYELLNAG-HIFRSBDPSA-N	295.358	1.868	10	20	CDCD	
CN(C)c1ccc(OCc2ncnn2CCF)cc1	853692330	DIHAPOSUQWYBRB-UHFFFAOYSA-N	264.304	1.893	10	20	CDCD	
COc1cccc(CNC(=O)CCC2(O)CCC2)c1O	866763111	HOANHFGIUXGTGJ-UHFFFAOYSA-N	279.336	1.712	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNC[C@H]2C[C@@H](O)C2)c1O	862527962	KUTMXRPIIZBWRD-WAAGHKOSSA-N	282.296	1.170	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)C[C@@H]2COC(=O)C2)c1	767960146	ZMWZCLAUAYVTNB-UWVGGRQHSA-N	293.319	1.531	10	20	CDCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)OCC2CC2)c1	763945243	QTHILQLWUKJSNU-UHFFFAOYSA-N	285.321	1.331	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@@H]2CCn3cncc3C2)c1	862757223	LTUYCCDORDYDCP-GFCCVEGCSA-N	285.347	1.776	10	20	CDCD	
O=C(/C=C\C1CCOCC1)NCCc1ccc(O)c(O)c1	767784536	BZJQSLYHDFOPQD-RQOWECAXSA-N	291.347	1.739	10	20	CDCD	
CS(=O)(=O)c1ccc(/C=C2/SC(=O)NC2=O)cc1	874927590	KCHHWWGHKZWJCN-RMKNXTFCSA-N	283.330	1.414	10	20	CDCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NCCN1CC[C@H](O)C1	1118866562	ZKTYLNVPKDJFLH-RDBSUJKOSA-N	290.407	1.905	10	20	CDCD	
C[C@@H]1COCCN(C(=O)/C=C\c2ccc(O)c(O)c2)C1	779542843	SWNYQHVSXDLURN-MZBZXASESA-N	277.320	1.606	10	20	CDCD	
COC(=O)[C@@H]1CC(F)(F)CN1C(=O)c1cc(O)cs1	881730248	TYYWSEXMHFGXNC-ZETCQYMHSA-N	291.275	1.477	10	20	CDCD	
O=C(NCc1cccc(O)c1O)c1n[nH]c2c1CCC2	1123977245	CTYMCOCIIRUJIF-UHFFFAOYSA-N	273.292	1.240	10	20	CDCD	
CN1CCCc2cc(CNC(=O)CC3OCCO3)ccc21	788654155	PNRKIUXUGJFTQB-UHFFFAOYSA-N	290.363	1.448	10	20	CDCD	
CC1(C)CCN(CCNC(=O)c2cccc(O)c2O)C1	890071816	CKSOHDYCRDLCCL-UHFFFAOYSA-N	278.352	1.560	10	20	CDCD	
N[C@H]1CCC[C@@H](NC(=O)N2Cc3cccc(O)c3C2)C1	892090331	VNTIFDXFCLBYBU-NWDGAFQWSA-N	275.352	1.687	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](N)C1CCC1	399001032	SRYPTDLGRIOKQG-OAHLLOKOSA-N	275.396	1.838	10	20	CDCD	
COCCCC(=O)NCc1ccc(OC)cc1O	794383889	RZBUVIFUTXPZNA-UHFFFAOYSA-N	253.298	1.444	10	20	CDCD	
COc1ccc(CNC(=O)[C@](C)(O)C(C)C)c(O)c1	794386833	CDNRQUIRKQCMIZ-CQSZACIVSA-N	267.325	1.424	10	20	CDCD	
C[C@H]1COC(C)(C)CN1Cc1cc2c(cc1O)OC[C@H]2O	792727406	OLHVANHNWWUIDZ-IINYFYTJSA-N	293.363	1.817	10	20	CDCD	
COc1ccc(CNC(=O)[C@H]2CCO[C@@H](C)C2)c(O)c1	794379083	YPKSHQAWGUZTSU-QWRGUYRKSA-N	279.336	1.832	10	20	CDCD	
O=C(NC[C@@H]1CCC[C@@H](O)C1)c1c(F)ccc(O)c1O	790071298	UWKBGCVMOKIJIC-RKDXNWHRSA-N	283.299	1.518	10	20	CDCD	
C[C@@H](NCc1nnnn1C1CC1)c1ccc(F)cc1O	756732861	NPZNUNSAPORFAR-MRVPVSSYSA-N	277.303	1.704	10	20	CDCD	
CC[C@H](C)CN(C)C(=O)C(=O)NCCc1ccc(N)cc1	1325377973	AVWRXTMYWUITOO-LBPRGKRZSA-N	291.395	1.432	10	20	CDCD	
COc1cccc(CNC(=O)[C@@H](C)n2ccnc2)c1O	1338652170	YOPBQODQTYCXGT-SNVBAGLBSA-N	275.308	1.475	10	20	CDCD	
COc1ccc(CNCCn2cc(C(=O)O)nn2)cc1C	1334069915	RDFCRENHVCWBPV-UHFFFAOYSA-N	290.323	1.083	10	20	CDCD	
CN(CCNC(=O)NCc1ccc(N)cc1)C1CC1	1346633171	LSCSBQKLJUWOIH-UHFFFAOYSA-N	262.357	1.162	10	20	CDCD	
C[C@@H](N)[C@@H]1CCCN(C(=O)NCc2ccc(N)cc2)C1	1262603824	WNLUNRLWMPLHMP-DGCLKSJQSA-N	276.384	1.538	10	20	CDCD	
CN(C[C@@H]1CCCC[C@H]1O)C(=O)NCc1ccc(N)cc1	1346738681	JKMMNWHKQBCUED-DZGCQCFKSA-N	291.395	1.961	10	20	CDCD	
Nc1ccc(CN2CCC3(CCC3)S(=O)(=O)CC2)cc1	1345160184	SVFHLIDLGMZPQQ-UHFFFAOYSA-N	294.420	1.812	10	20	CDCD	
O=C(CSc1ncc(C(=O)O)s1)Nc1cnccn1	1601350928	QLVGKFGEFNJERP-UHFFFAOYSA-N	296.333	1.362	10	20	CDCD	
COc1cc(OC)nc(C(=O)Oc2ccc(N)cc2)n1	1579170793	DUJXYIYKCHIKQF-UHFFFAOYSA-N	275.264	1.295	10	20	CDCD	
COc1cc(Cl)cc(CN[C@@H](C)CC(N)=O)c1O	169091954	CSCVATGRFCIMSU-ZETCQYMHSA-N	272.732	1.408	10	20	CDCD	
Cn1cc([C@@H]2CCN(C(=O)Cc3ccc(N)cc3)C2)cn1	169155549	BBGOAXWCSSKLGS-CYBMUJFWSA-N	284.363	1.561	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1CCC[C@H]1O	160901529	UXJUASHFQFHABA-HOGLGZINSA-N	263.293	1.141	10	20	CDCD	
Nc1ccc(CCNC(=O)N[C@H]2CCSC2)cc1	841840749	BWGWXKPRKBAVTP-LBPRGKRZSA-N	265.382	1.616	10	20	CDCD	
CC(C)N1CCN(C(=O)Nc2ccc(N)cc2)CC1=O	841296002	MGZQCJKQOLIOJG-UHFFFAOYSA-N	276.340	1.353	10	20	CDCD	
Cc1ccc([C@@H](C)NCCN2CCNC2=O)c(O)c1	886745053	MXOOFDYRQOSBPM-LLVKDONJSA-N	263.341	1.376	10	20	CDCD	
CCN(CC)c1ccc(CN[C@@H]2COC[C@H]2O)cc1	323552170	OWULWPYTRLGYEV-HUUCEWRRSA-N	264.369	1.382	10	20	CDCD	
CN(CC(=O)NC(=O)NC(C)(C)C)Cc1ccccc1O	109773363	JBVXMGVCTNQPAK-UHFFFAOYSA-N	293.367	1.448	10	20	CDCD	
C[C@H]1COCCN1C(=O)NCc1ccc(N(C)C)c(F)c1	57647194	WVKQSCKZCMBUDW-NSHDSACASA-N	295.358	1.822	10	20	CDCD	
CCOc1cccc(CN2CCC[C@@H](OCCO)C2)c1O	179574463	CVQMYEGYPGBUOD-CQSZACIVSA-N	295.379	1.764	10	20	CDCD	
CN(Cc1cc(F)ccc1O)[C@H]1CCS(=O)(=O)C1	179866382	YNASPDCAQHADQE-NSHDSACASA-N	273.329	1.150	10	20	CDCD	
Cc1ccc(C(=O)NCC2(O)CCCCC2)c(O)c1O	179510472	ALPIAAWZYKHECU-UHFFFAOYSA-N	279.336	1.831	10	20	CDCD	
Cc1nn(C)cc1[C@H](C)NC(=O)NCc1ccccc1O	69823028	TTXNUQRHFRTQOG-JTQLQIEISA-N	288.351	1.995	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1CCCC[C@H]1O	181227893	WVYDHJZNBUZFPK-RQDOONKYSA-N	277.320	1.531	10	20	CDCD	
COc1cccc(CN2CC[C@H]([C@H](C)N)C2)c1O	126852211	RVPXCGSBIIYMAA-QWRGUYRKSA-N	250.342	1.570	10	20	CDCD	
CCN(CCCS(C)(=O)=O)c1ccc(OC)cc1	264048435	GYQWFECEWBKQIY-UHFFFAOYSA-N	271.382	1.956	10	20	CDCD	
O=C(NCc1ccccc1O)NC[C@@H]1CCCCO1	263703750	JAKMXJZBRGKFEC-LBPRGKRZSA-N	264.325	1.761	10	20	CDCD	
C[C@@H](NC[C@@]1(O)CCOC1)c1cc([N+](=O)[O-])ccc1O	273344751	AKOLQKZYCMSVFU-RNCFNFMXSA-N	282.296	1.102	10	20	CDCD	
COC[C@@H](O)CN[C@H](C)c1ccc(C)c(C)c1O	273558562	HNCUWXHGSMCPAL-NEPJUHHUSA-N	253.342	1.667	10	20	CDCD	
O=C(NCCCOC[C@@H]1CCCO1)c1cccc(O)c1O	274893089	MMSHMLWUAUKWOZ-NSHDSACASA-N	295.335	1.413	10	20	CDCD	
COCCOCCOCCCNCc1cc(C)ccc1O	274348294	AMPDDGAXJQPODJ-UHFFFAOYSA-N	297.395	1.860	10	20	CDCD	
CC1=C(C(=O)NCCc2ccc(O)c(O)c2)SCCO1	280723014	CIBCUWZXVLWWMH-UHFFFAOYSA-N	295.360	1.751	10	20	CDCD	
CC(C)c1nc([C@@H](C)NC(=O)c2cccc(O)c2O)n[nH]1	280043499	ZMXQSDHBAWPRBO-MRVPVSSYSA-N	290.323	1.830	10	20	CDCD	
CN(C)CCN(C)Cc1ccc(N(C)C)c(F)c1	289777910	LAPSWGOEZHTSQN-UHFFFAOYSA-N	253.365	1.885	10	20	CDCD	
CN1CCCc2cc(CNC(=O)C(=O)c3ccc[nH]3)ccc21	296123545	HRMKFEVNLPTOKB-UHFFFAOYSA-N	297.358	1.896	10	20	CDCD	
Cn1nccc1[C@H](NCc1ccc2c(c1)CCO2)C(=O)O	819165855	FPNRBSGXGXVBPF-AWEZNQCLSA-N	287.319	1.271	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCN(C)C2)c1	729535372	QBLXCJGELOFLPV-WDEREUQCSA-N	278.352	1.530	10	20	CDCD	
CN(CC(=O)NCc1ccccc1O)CC(C)(C)C	821056242	VMMCIBLSGYAUKI-UHFFFAOYSA-N	264.369	1.986	10	20	CDCD	
O=C(NCCCOC[C@H]1CCCO1)c1cc(O)cs1	732259632	SWBAVSOLFUNQMP-LLVKDONJSA-N	285.365	1.769	10	20	CDCD	
Oc1cc2c(cc1CN1CCn3cccc3C1)[C@@H](O)CO2	905745540	NUKPAAYTGVZHDG-HNNXBMFYSA-N	286.331	1.635	10	20	CDCD	
Cn1nccc1CCNC(=O)/C=C\c1ccc(O)c(O)c1	588459084	IABKCOZPVHXDRN-HYXAFXHYSA-N	287.319	1.203	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cnsn1	839123953	XZGQPBWKLJFDLW-ZETCQYMHSA-N	294.336	1.702	10	20	CDCD	
O=C(NCCCSc1nccs1)c1ccc(O)nn1	733974076	FIQLVFZBQVOTTA-UHFFFAOYSA-N	296.377	1.551	10	20	CDCD	
COC[C@@H](C)n1ccc(NC(=O)Cc2ccc(N)cc2)n1	832002300	GZGUIMFIDGSLID-LLVKDONJSA-N	288.351	1.854	10	20	CDCD	
CC(C)N(CCC(=O)O)C(=O)/C=C/c1ccc(O)c(O)c1	833496924	NXJALKFSRCVBIM-GQCTYLIASA-N	293.319	1.823	10	20	CDCD	
COc1ccc(CNC(=O)C[C@@H](C)n2ccnc2)c(O)c1	846062011	WMZHBSVYGOHWMZ-LLVKDONJSA-N	289.335	1.865	10	20	CDCD	
COc1ccc(O)c(CNC[C@H]2CCCNC2)c1	841033227	QEZLZAZXLQKGBH-NSHDSACASA-N	250.342	1.490	10	20	CDCD	
Cc1noc(C)c1CCC(=O)NCc1ccc(O)cc1O	910957816	NRLQAOJCWPCFBT-UHFFFAOYSA-N	290.319	1.952	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN[C@@H]1CC[C@H](C(N)=O)C1	840952723	HOPMOSBRBYPPEH-GXTWGEPZSA-N	275.396	1.805	10	20	CDCD	
CN(CC(C)(C)CO)C(=O)NCCc1ccc(N)cc1	841955763	MNHDLSWEMRUYHR-UHFFFAOYSA-N	279.384	1.471	10	20	CDCD	
COc1ccc(N2CCCN(C[C@H](C)N)CC2)cc1	844221267	BJWDRCZTPGTMGY-ZDUSSCGKSA-N	263.385	1.555	10	20	CDCD	
Cc1c[nH]nc1CNC[C@@H](N)c1ccc(N(C)C)cc1	841040953	DDGJGPOABFFMDS-CQSZACIVSA-N	273.384	1.574	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2CC[C@H](N)[C@@H](C)C2)c1O	843052048	PAGJPOKFCZGIDL-ONGXEEELSA-N	295.339	1.478	10	20	CDCD	
CCO[C@H]1COCC[C@H]1NCc1cc(C)ccc1O	759173998	SVOXJLYXRBBGSX-HIFRSBDPSA-N	265.353	1.984	10	20	CDCD	
COCCN[C@@H](C)c1cc(C(=O)OC)ccc1O	756343499	OUXNORNHTRKNMQ-VIFPVBQESA-N	253.298	1.476	10	20	CDCD	
OC[C@@H](CC1CC1)NCc1ccc(N2CCOCC2)cc1	754834806	OJJFGKDYJLCDFG-MRXNPFEDSA-N	290.407	1.774	10	20	CDCD	
O=C(NCc1ccc(N2CCOCC2)cc1)C1CSC1	864984205	JOBYGWXXOHYFGN-UHFFFAOYSA-N	292.404	1.502	10	20	CDCD	
CCO[C@@H]1C[C@H](NC(=O)c2cc(O)cs2)[C@@]12CCCO2	760455160	RUVTUZKDTGQRFM-SCRDCRAPSA-N	297.376	1.910	10	20	CDCD	
Cc1cc(O)c(CNC[C@@]2(O)CCN(C)C2)cc1C	762570245	ZPGFBVYLVCVVNY-HNNXBMFYSA-N	264.369	1.165	10	20	CDCD	
OC[C@@H]1CSCCN1Cc1cc(F)ccc1O	877780321	MVZYZULURRXOGH-LLVKDONJSA-N	257.330	1.441	10	20	CDCD	
CC(=O)NC1CCC(C(=O)NCc2ccccc2O)CC1	1123664627	NTCRPVZVLNNHFS-UHFFFAOYSA-N	290.363	1.703	10	20	CDCD	
COc1ccc(CNCCNC(=O)c2cocn2)cc1C	1124792273	DCXZYUDVRBXNIH-UHFFFAOYSA-N	289.335	1.511	10	20	CDCD	
COC(=O)N(C)CCN[C@H](C)c1c(O)cccc1F	886637620	AYBHJIMKVQNTCR-SECBINFHSA-N	270.304	1.880	10	20	CDCD	
CN(CC(=O)NCc1ccco1)Cc1ccccc1O	109771000	GDSZZUAIAGXRKT-UHFFFAOYSA-N	274.320	1.733	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1C[C@H]2C[C@@H]2C1	886328495	KTXPBVFQWNLPNA-HUUCEWRRSA-N	287.407	1.663	10	20	CDCD	
Cc1cc(O)c(CNC[C@H]2COCO2)cc1Cl	894886979	YIGGIOONSCRPHT-JTQLQIEISA-N	257.717	1.817	10	20	CDCD	
Cc1cc(O)c(CN2CC(N3CCCC3=O)C2)cc1C	897786764	YOESBUJHFBMFIB-UHFFFAOYSA-N	274.364	1.816	10	20	CDCD	
NC(=O)[C@H]1CCC[C@@H](C(=O)NCc2ccc(O)c(O)c2)C1	787132205	WHMHYPYSAXBUCT-WDEREUQCSA-N	292.335	1.006	10	20	CDCD	
C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)c1cccc(O)c1O	185725237	GRWVFUZJAZXPKX-JQWIXIFHSA-N	278.352	1.510	10	20	CDCD	
COc1ccc(O)c(CN2[C@@H](C)[C@H](C)NC(=O)[C@H]2C)c1	895119134	VSKCZFRGGHMGAO-GARJFASQSA-N	278.352	1.498	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2ccc(O)cc2O)c1	780985231	PZBDGGQQTFPHHP-UHFFFAOYSA-N	289.287	1.742	10	20	CDCD	
CCOc1cccc(CN2C[C@@H]3CN(C)C[C@@H]3C2)c1O	194536502	KAWTYABFVLUAEE-OKILXGFUSA-N	276.380	1.784	10	20	CDCD	
COc1ccc(CNC(=O)c2coc(C)n2)c(O)c1	794379839	TZXAMFIBXQFXAL-UHFFFAOYSA-N	262.265	1.627	10	20	CDCD	
COc1cccc(CN[C@@H]2CCN(C)[C@H](C)C2)c1O	90721536	JLYQHVNTVKHADE-DGCLKSJQSA-N	264.369	1.973	10	20	CDCD	
CCn1ncnc1CN[C@@H](C)c1cc(F)ccc1O	794843365	VZVSAPUOBSBUMX-VIFPVBQESA-N	264.304	1.994	10	20	CDCD	
CCN(CC)c1ccc(CNCC(=O)O)cc1F	1327677136	RKOUDVUKPJIKOU-UHFFFAOYSA-N	254.305	1.846	10	20	CDCD	
CO[C@@H]1COCC[C@@H]1CNC(=O)c1c(F)ccc(O)c1O	1330676383	HRLKPCJYBGMAOZ-LDYMZIIASA-N	299.298	1.018	10	20	CDCD	
Cc1ccc(CN[C@@H]2CCN(c3cnn(C)c3)C2)c(O)c1	1333352702	MRHCDCKLLATHSC-CQSZACIVSA-N	286.379	1.803	10	20	CDCD	
CN(C)c1ccc(CN(C)c2cc(=O)n(C)c(O)n2)cc1	1339510408	SSZMROFKLOACAW-UHFFFAOYSA-N	288.351	1.188	10	20	CDCD	
O=C(N[C@H](CC(F)(F)F)C(=O)O)c1cc(O)cs1	1601407727	ZOZUNFDCYOPMJR-RXMQYKEDSA-N	283.227	1.589	10	20	CDCD	
O=C(N[C@H](CC1CCOCC1)C(=O)O)c1cc(O)cs1	1608395329	SXIVGRCIWMCRKY-SNVBAGLBSA-N	299.348	1.453	10	20	CDCD	
CCOc1ccc(CN2CCOC[C@@H]2CC(=O)O)c(O)c1	1605691753	MUJFDQBFUWCFMC-LBPRGKRZSA-N	295.335	1.466	10	20	CDCD	
Cc1ccc(S(=O)(=O)Nc2ccc(O)cc2C(=O)O)o1	1610514049	CUVRIHZLNQXFLO-UHFFFAOYSA-N	297.288	1.793	10	20	CDCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@H]1CCCN1	1574136361	DBVLSBNYARGGEN-CZUORRHYSA-N	289.423	1.860	10	20	CDCD	
C[C@@H]1C[C@@H](C(=O)O)CN(C(=O)c2c(F)ccc(O)c2O)C1	1589272983	SGJHCLAMWWUGNN-HTQZYQBOSA-N	297.282	1.420	10	20	CDCD	
O=C(O)CSCC(=O)N1Cc2cccc(O)c2C1	1595126101	GTXRQKXHYFUSMP-UHFFFAOYSA-N	267.306	1.052	10	20	CDCD	
CN(CCN1CCCC1=O)c1ccc(OCC(=O)O)cc1	1598487815	KSVDGHUJQPBKPL-UHFFFAOYSA-N	292.335	1.209	10	20	CDCD	
Cc1nn(C)c(C)c1CNCc1ccc(C(=O)O)cc1O	1777547433	DVMKSFMIAQYBIB-UHFFFAOYSA-N	289.335	1.731	10	20	CDCD	
CN(C)c1cc(F)c(CNC[C@@H]2C[C@@H]2C(=O)O)cc1F	1777038246	VUZGHVWENFVAIH-WPRPVWTQSA-N	284.306	1.841	10	20	CDCD	
COc1cc(O)c(CN2CCOC[C@@H]2C)cc1OC	158855971	WRSXDOLQEBTTEI-JTQLQIEISA-N	267.325	1.630	10	20	CDCD	
COc1ccc(O)c(CNC(=O)/C=C/c2cnn(C)c2)c1	155964687	GNPDZLDRECIZRM-ZZXKWVIFSA-N	287.319	1.464	10	20	CDCD	
Nc1ccc(CNC(=O)C23CCCN2CCC3)cc1	1263303639	CVZYRLMCIGBFIZ-UHFFFAOYSA-N	259.353	1.513	10	20	CDCD	
Oc1cc2c(cc1CN[C@H]1CCC[C@@H]1O)OCO2	323289155	NKFVWYGDGLIIPJ-UWVGGRQHSA-N	251.282	1.124	10	20	CDCD	
Oc1ccc(Cl)cc1CNCC1(O)CCOCC1	112717359	DXIYUACUXUTAKU-UHFFFAOYSA-N	271.744	1.677	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)c1ccc(=O)[nH]n1	170732301	XAYVTFHQSKACDD-UHFFFAOYSA-N	287.319	1.528	10	20	CDCD	
NC(=O)[C@@H]1CCCCN1Cc1cc(F)ccc1O	179885898	JTFQFIPPGFGEDW-NSHDSACASA-N	252.289	1.371	10	20	CDCD	
CNC(=O)[C@@H]1CCCCN1C(=O)c1ccc(C)c(O)c1O	179547590	TWYYPSCJACZMOE-NSHDSACASA-N	292.335	1.147	10	20	CDCD	
CCS(=O)(=O)CCN[C@H](C)c1ccccc1O	183487697	KYTDZUFHIMRVGI-SNVBAGLBSA-N	257.355	1.478	10	20	CDCD	
Cc1ccc(C(=O)N2CCCO[C@H](C)C2)c(O)c1O	182312459	XHGVEBYHKOQBPP-SNVBAGLBSA-N	265.309	1.657	10	20	CDCD	
CCN(CC(N)=O)Cc1cccc(Br)c1O	188465987	SCNRMEJUSYKKRQ-UHFFFAOYSA-N	287.157	1.462	10	20	CDCD	
C[C@@H](O)CNC(=O)NCc1ccc(N2CC=CC2)cc1	192500475	PKXJMQXOUVIJFS-GFCCVEGCSA-N	275.352	1.243	10	20	CDCD	
CC[C@H](C(N)=O)N1CCN(c2ccc(OC)c(F)c2)CC1	84866571	FWDRBFMEFAOPMA-CYBMUJFWSA-N	295.358	1.220	10	20	CDCD	
COc1ccc(N2CCC(NC(=O)[C@H](C)O)CC2)cc1	136840365	CHAHFODEKPCZEK-NSHDSACASA-N	278.352	1.161	10	20	CDCD	
Cc1nc(C(=O)NCCc2ccc(O)c(O)c2)c(C)o1	293821127	WVGKGTDOYDBBBE-UHFFFAOYSA-N	276.292	1.675	10	20	CDCD	
C[C@H](CO)CN[C@H](C)c1ccc(N2CCOCC2)c(F)c1	268852237	PXEFASSUERPWCN-QWHCGFSZSA-N	296.386	1.941	10	20	CDCD	
O=[N+]([O-])c1cc(Cl)cc(CN2C[C@@H]3[C@@H](CO)[C@@H]3C2)c1O	368348569	MYBJASUAGBPKIZ-URLYPYJESA-N	298.726	1.624	10	20	CDCD	
Cc1ccc(C(=O)N2CCn3cnnc3[C@@H]2C)c(O)c1O	276892841	MVRFDCSQFNMRKX-VIFPVBQESA-N	288.307	1.215	10	20	CDCD	
Cc1ccc(C(=O)N(C)C[C@@H]2CCCN(C)C2)c(O)c1O	272709639	DLYZLAPFFUBGBS-GFCCVEGCSA-N	292.379	1.820	10	20	CDCD	
CCOc1ccc(O)c(CN(CC(=O)OC)C2CC2)c1	271323852	ZHCXIPFKGQRAJY-UHFFFAOYSA-N	279.336	1.928	10	20	CDCD	
CC[C@H](CNCc1cc(OC)c(OC)cc1O)OC	290808193	FWEYGCVNFCXEDA-LLVKDONJSA-N	269.341	1.924	10	20	CDCD	
CC[C@H](CNS(C)(=O)=O)N[C@@H](C)c1ccccc1O	296540047	QWZBSWOEURSSRN-WDEREUQCSA-N	286.397	1.371	10	20	CDCD	
COc1cc(CN2CCn3cncc3C2)c(O)cc1C	811787018	DVWZDOPVYVSIQY-UHFFFAOYSA-N	273.336	1.922	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)NCCCNC2CC2)c1	817984346	QQSRVZUQPNIWCQ-LLVKDONJSA-N	292.379	1.972	10	20	CDCD	
O=C1NCC[C@@H]1C(=O)NCc1ccc(N2CCCC2)cc1	821841823	GEAAPWQUBAUTMM-AWEZNQCLSA-N	287.363	1.039	10	20	CDCD	
O=C(O)/C=C\c1ccc(N2CC[C@@H](O)C2)c([N+](=O)[O-])c1	739627007	WNEJNMCVBXWZPG-WUWIAWFRSA-N	278.264	1.264	10	20	CDCD	
CNC(=O)NC(=O)CCN[C@@H](C)c1ccc(N(C)C)cc1	839564506	VHZBFYRPDGPIGC-NSHDSACASA-N	292.383	1.249	10	20	CDCD	
CCNC(=O)C(C)(C)NC(=O)c1ccc(C)c(O)c1O	837266568	CQTPZLCZDGIAFD-UHFFFAOYSA-N	280.324	1.051	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H](C)c2ccn(C)n2)c(O)c1O	838244197	CCCCVTXPJZSYAC-VIFPVBQESA-N	275.308	1.631	10	20	CDCD	
CC[C@@H](C(=O)O)C(=O)NCc1ccc2cccnc2c1O	911702477	ZXIJBMOKNYDQGA-LLVKDONJSA-N	288.303	1.667	10	20	CDCD	
C[C@H]1C[C@H](C(=O)NCc2ccc(O)cc2O)CCO1	910948832	BEADCTNLZKNWJW-VHSXEESVSA-N	265.309	1.529	10	20	CDCD	
CCC[C@H](OC)C(=O)NCc1ccc(O)cc1O	910944980	RCFWVERRHBKGIX-LBPRGKRZSA-N	253.298	1.529	10	20	CDCD	
CN[C@H]1CCN(Cc2cc(F)cc(C(C)=O)c2O)C1	843344684	QMQSJFPSRDMQCA-LBPRGKRZSA-N	266.316	1.528	10	20	CDCD	
C[C@@H](NC(=O)NCCc1ccc(N)cc1)[C@@H]1CCCNC1	841929620	WRZGDNXDPKTZHL-TZMCWYRMSA-N	290.411	1.499	10	20	CDCD	
Cc1ccc(C(=O)NC[C@@H]2C[C@@H](C)O[C@H]2C)c(O)c1O	840517756	XAHJLXWUMMOSIT-VWYCJHECSA-N	279.336	1.950	10	20	CDCD	
CCOc1ccc(O)c(CN[C@@H](CO)[C@H]2CCCOC2)c1	840963087	PZNIGEUGKTZXJK-WFASDCNBSA-N	295.379	1.668	10	20	CDCD	
CN(C)c1ccc(CN(CC(=O)O)C2CCOCC2)cc1	846276276	ZADPAXHHVBVEIA-UHFFFAOYSA-N	292.379	1.818	10	20	CDCD	
COc1ccc(O)c(CN2CC[C@@]3(CCCN3)C2)c1	841105283	HVUQSRJFSXCJDM-HNNXBMFYSA-N	262.353	1.729	10	20	CDCD	
CCOc1cccc(CNCCNCCOC)c1O	841047435	AXHRJQQZDIETIC-UHFFFAOYSA-N	268.357	1.117	10	20	CDCD	
COc1cccc([C@H](C)N[C@H](C)c2nncn2C)c1O	846148336	ZRESAWRHUPLLIJ-VHSXEESVSA-N	276.340	1.941	10	20	CDCD	
COc1ccc(N(C)CC(=O)N2C[C@H](C)O[C@@H](C)C2)cc1	844352859	AJCJALLGUAHZSK-STQMWFEESA-N	292.379	1.767	10	20	CDCD	
Nc1ccc(NC(=O)C(=O)N2CC[C@@H](c3ccco3)C2)cc1	841034835	FXFCMHUWKUTRRR-LLVKDONJSA-N	299.330	1.816	10	20	CDCD	
O=C1CC[C@H]2CN(C(=O)c3cc(O)cs3)CC[C@@H]2N1	855674290	ATEYUKWSUHLKDZ-WPRPVWTQSA-N	280.349	1.194	10	20	CDCD	
C[C@H](NC[C@H](O)COCC1CC1)c1ccc(F)cc1O	756510587	KLXNMUVYSOVYON-GWCFXTLKSA-N	283.343	1.969	10	20	CDCD	
Nc1ccc(CNC(=O)Cn2cc(C3CC3)cn2)cc1	850710719	HCRZPWBZDIQVJL-UHFFFAOYSA-N	270.336	1.659	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)NC[C@H](C)N(C)C)c1	756536421	VNIUEQFCGVZLLV-WDEREUQCSA-N	280.368	1.780	10	20	CDCD	
CN(C(=O)/C=C\c1ccc(O)c(O)c1)[C@@H]1CCC[C@H]1O	923808819	ZIBMWUQCLKXZPW-WAIVJAFWSA-N	277.320	1.483	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CC1CCOCC1	753645583	WEMSVHWCEJFXEG-NSHDSACASA-N	293.363	1.962	10	20	CDCD	
O=C(NCc1ccccc1O)N[C@H]1CCc2c[nH]nc2C1	758740325	ZYFKEMONIKVLNH-LBPRGKRZSA-N	286.335	1.472	10	20	CDCD	
CN1CCN(C(=O)/C=C/c2cn(C)cn2)c2cccnc21	934198204	KLRAHWOKLYZTJZ-AATRIKPKSA-N	283.335	1.311	10	20	CDCD	
CCN(CCO)CCNCc1cc(Cl)cc(F)c1O	769554860	ATTKGHKPWJFPJX-UHFFFAOYSA-N	290.766	1.589	10	20	CDCD	
C[C@@H](NC(=O)C1(C)COC1)c1ccc(N(C)C)cc1	772997259	FDHMTMLTCJCHRY-LLVKDONJSA-N	262.353	1.966	10	20	CDCD	
COc1cccc(O)c1CN[C@@H]1CCO[C@]2(CCOC2)C1	770751728	AOYONOIIEPLJEZ-MLGOLLRUSA-N	293.363	1.829	10	20	CDCD	
OC[C@@H]1C[C@@H](O)CN1Cc1cc(Cl)cc(F)c1O	775996037	RGGAMZDYXSBTOP-VHSXEESVSA-N	275.707	1.112	10	20	CDCD	
Cc1ccc(CN2CC[C@@H](C)C[C@@H]2C(N)=O)c(O)c1	877437050	UEXIIDUHKLCDNO-DGCLKSJQSA-N	262.353	1.786	10	20	CDCD	
CNS(=O)(=O)C[C@H]1CCCN1Cc1cccc(C)c1O	775734440	PPEPNFBVOMHKQD-CYBMUJFWSA-N	298.408	1.214	10	20	CDCD	
CN(C)C[C@H]1CCN(C(=O)c2cc(O)cs2)C1	782871453	SOYCREFMAWISNP-SECBINFHSA-N	254.355	1.477	10	20	CDCD	
C[C@H]1COC(C)(C)CN1C(=O)NCc1ccc(N)cc1	1120677869	ZAQDIOLFEQNVNG-NSHDSACASA-N	277.368	1.978	10	20	CDCD	
CC[C@H]1C[C@H](C(=O)NCc2ccc(O)c(O)c2)CCO1	780984690	LTCMLFVUJUHWOR-NEPJUHHUSA-N	279.336	1.919	10	20	CDCD	
Cc1cccc(CN2C[C@H](O)C[C@@]2(C)CO)c1O	895328494	GPVVOMXBSPBBLH-OCCSQVGLSA-N	251.326	1.018	10	20	CDCD	
COc1ccc(CNC(=O)[C@@H]2CCO[C@H](C)C2)c(O)c1	794379081	YPKSHQAWGUZTSU-GHMZBOCLSA-N	279.336	1.832	10	20	CDCD	
OCC[C@@]1(NCc2ccc(N3CCCC3)cc2)CCOC1	1256042412	LIMNCRQZJZBAPK-QGZVFWFLSA-N	290.407	1.918	10	20	CDCD	
CCO[C@H]1C[C@](N)(C(=O)NCc2ccc(N)cc2)C1(C)C	1263303543	ACMXVNCVGDJXQZ-BBRMVZONSA-N	291.395	1.418	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)C12CC(CN1)C2	1341714686	OTNVUGAMBIUOOA-UHFFFAOYSA-N	273.380	1.429	10	20	CDCD	
C[C@@H](NCc1ccc(N)cc1)c1nnnn1C1CC1	1262488078	PMWJILLHEIAYSY-SECBINFHSA-N	258.329	1.441	10	20	CDCD	
Nc1ccc(CN2CCN(C[C@@H]3CCOC3)CC2)cc1	1352789011	UCOBWZUGFCOBQJ-HNNXBMFYSA-N	275.396	1.423	10	20	CDCD	
C[C@@H]1CC[C@H](CNC(=O)NCc2ccc(N)cc2)O1	1357434383	JEVWVOAFTDMTOB-ZWNOBZJWSA-N	263.341	1.636	10	20	CDCD	
CN1CCN(C)[C@@H](CNCc2ccc(N(C)C)cc2)C1	225328915	NWHPCOUEXRYQBC-INIZCTEOSA-N	276.428	1.088	10	20	CDCD	
C[C@@H](NC[C@@H]1COCCN1C)c1cc(C(=O)O)ccc1O	1604339220	UTKLEMZTGLNZHM-ZYHUDNBSSA-N	294.351	1.072	10	20	CDCD	
CC[C@H](NCCCOC)c1cccc(-c2nn[nH]n2)c1O	1604054277	HKLORELRUMOCCN-LBPRGKRZSA-N	291.355	1.650	10	20	CDCD	
O=C(O)[C@@H]1OCC[C@@H]1NCc1cc(Cl)ccc1O	1602203074	PPPORFXJVDRQNQ-GXSJLCMTSA-N	271.700	1.377	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@@H]2[C@@H](N)[C@H]3C=C[C@H]2C3)c1	1574156356	DUDNABCUPUEHAB-GVARAGBVSA-N	272.348	1.466	10	20	CDCD	
O=C(O)CCCNC(=O)NCc1ccccc1O	819442989	FFRWTNBCACTNCQ-UHFFFAOYSA-N	252.270	1.056	10	20	CDCD	
CNC(=O)CCNC1CCN(c2ccc(OC)cc2)CC1	155251941	CMYWGJVMUHOUOH-UHFFFAOYSA-N	291.395	1.390	10	20	CDCD	
CC[C@@H](C(=O)NCc1cccc(OC)c1O)N(C)C	155365447	QAUVEVIHNPDIRP-NSHDSACASA-N	266.341	1.357	10	20	CDCD	
COc1cccc(CN[C@@H](C)Cc2cnn(C)c2)c1O	809740461	ZLCFNIDMVFCAJY-NSHDSACASA-N	275.352	1.855	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)[C@@H]1CCCSC1	810629000	YZZLTOHIJPFOET-LLVKDONJSA-N	281.377	1.900	10	20	CDCD	
COCCOCCCNCc1ccc(C)cc1O	876901948	IOBZBOOVLPBNTJ-UHFFFAOYSA-N	253.342	1.843	10	20	CDCD	
CCn1cc(NCc2cc3c(cc2O)OCO3)cn1	42879759	OMOOGXHCYZKULU-UHFFFAOYSA-N	261.281	1.949	10	20	CDCD	
CCn1cc(CN[C@H](C)c2ccc(F)cc2O)nn1	404440605	GZXWPPLMDOSERJ-SECBINFHSA-N	264.304	1.994	10	20	CDCD	
C[C@@H]1SCC[C@H]1NC(=O)c1cccc(O)c1O	310454735	CONJKHWLVGKLLO-IONNQARKSA-N	253.323	1.722	10	20	CDCD	
CC1(NCc2cc3c(cc2O)OCO3)CCOCC1	131186171	NMKFOTUHTKUVDK-UHFFFAOYSA-N	265.309	1.780	10	20	CDCD	
CCN(CC)C(=O)CNCc1ccc2c(c1)CCO2	68258145	HTBGHRINPXSCMZ-UHFFFAOYSA-N	262.353	1.580	10	20	CDCD	
C[C@](NC(=O)c1cccc(O)c1O)(C(=O)O)C1CC1	125994847	CYSCCAKMKJIOGI-CYBMUJFWSA-N	265.265	1.081	10	20	CDCD	
COc1cccc(CN2CCC[C@@H]2C(=O)NC2CC2)c1O	121488695	OPTUCJWAOWWUFE-CYBMUJFWSA-N	290.363	1.644	10	20	CDCD	
CCOCCC(=O)NCCc1ccc(O)c(O)c1	156676997	GAEMOJRLKUSILX-UHFFFAOYSA-N	253.298	1.183	10	20	CDCD	
C[C@H](NCC(=O)NCC1CC1)c1ccc(F)c(F)c1O	187908909	SLPFXDZAFDBTRH-QMMMGPOBSA-N	284.306	1.847	10	20	CDCD	
C[C@H](N)[C@@H](C)C(=O)N1CCOc2cc(N(C)C)ccc21	192124463	DFQBCRJBBXOKLG-MNOVXSKESA-N	277.368	1.461	10	20	CDCD	
C[C@@H]1CCCCN1CCNC(=O)Cc1ccc(N)cc1	237677889	JILCEFFORSYIRB-CYBMUJFWSA-N	275.396	1.802	10	20	CDCD	
CN(C)c1ccc(CNC(=O)C2(N)CCCC2)cc1F	237081675	AFDMRCAERQZLIT-UHFFFAOYSA-N	279.359	1.779	10	20	CDCD	
CC(C)(C)OC(=O)CCNCc1cc2c(cc1O)OCO2	266140005	GVDWGUHZVDICGN-UHFFFAOYSA-N	295.335	1.942	10	20	CDCD	
CCN1CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1	272347675	AKZUHENSADIFOG-FNORWQNLSA-N	290.363	1.665	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)C1SCCS1	270707427	CEAIEVCZPBNFAB-UHFFFAOYSA-N	285.390	1.563	10	20	CDCD	
CCCOc1ccc(CN2CCN(CC)C(=O)C2)c(O)c1	273467645	ISEQCYACGJCBDW-UHFFFAOYSA-N	292.379	1.845	10	20	CDCD	
O=C(N[C@@H]1CN(c2ccccc2)C1=O)c1cccc(O)c1O	365100486	PMFFKKOJMKENNN-GFCCVEGCSA-N	298.298	1.243	10	20	CDCD	
CCNC(=O)[C@@H](C)N[C@@H](C)c1cc(C(=O)OC)ccc1O	273377004	HKFOSTNVAMZSPD-VHSXEESVSA-N	294.351	1.354	10	20	CDCD	
CSCC[C@H](O)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	274941016	PMPBIVLJEFZIMM-CABZTGNLSA-N	299.392	1.259	10	20	CDCD	
Cc1ccc(C(=O)N(CC(C)(C)O)C2CC2)c(O)c1O	275156953	WKGDIFSVSOYHQD-UHFFFAOYSA-N	279.336	1.782	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@@H]2O[C@H](C)C[C@@H]2C)c1	800518914	JSYFIACFFHELOF-IMSIIYSGSA-N	279.336	1.831	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CC[C@@H]1C(N)=O	816822571	PICJPMJEFKXRPV-KBPBESRZSA-N	289.379	1.223	10	20	CDCD	
COc1ccc(O)c([C@H](C)N[C@@H](CN)C2CC2)c1	817960404	MUSNBVPGYOBWCC-ZANVPECISA-N	250.342	1.789	10	20	CDCD	
OC[C@@H]1[C@H]2CN(Cc3cc(Cl)c(F)cc3O)C[C@H]21	816617247	SHWMEPWYHJPRJM-MYJAWHEDSA-N	271.719	1.855	10	20	CDCD	
COc1ccc(N2CC[C@@H](CNC(=O)[C@@H](C)O)C2)cc1	819587505	ZZVXWJLKUKXHTI-NEPJUHHUSA-N	278.352	1.019	10	20	CDCD	
C[C@H](NC[C@@H]1CNCCCO1)c1ccc(N(C)C)cc1	817979638	CINCVFCBHITNRV-BBRMVZONSA-N	277.412	1.782	10	20	CDCD	
COc1ccc(NC(=S)NNc2ncccn2)cc1F	726459254	XNSRAHIUMSRWNX-UHFFFAOYSA-N	293.327	1.938	10	20	CDCD	
O=C(C[C@H]1CSCCS1)NCc1ccc(O)cc1O	827811769	UAWWUQWDHZYDJW-NSHDSACASA-N	299.417	1.953	10	20	CDCD	
CN1CC[C@@H](CNC(=O)c2cc(O)cs2)CC1=O	822396225	GALJGJJINLHEPZ-MRVPVSSYSA-N	268.338	1.052	10	20	CDCD	
C[C@H]1C[C@H](NC(=O)c2c(F)ccc(O)c2O)C[C@@H](C)O1	827631035	ZPEFREALVVXBET-AYMMMOKOSA-N	283.299	1.923	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)CSCC(=O)O	739361248	ZVUSGHGHODOUQO-UHFFFAOYSA-N	297.376	1.949	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N[C@H]1CC12CCOCC2	836865784	AENCFOOFKDNKSN-PMUGQKEBSA-N	289.331	1.796	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)[C@@H]1CC(=O)N1	830140764	INTBCLWRXJKNAS-NSHDSACASA-N	262.309	1.019	10	20	CDCD	
O=C1NCCC[C@H]1CNCc1cc(Cl)c(F)cc1O	839195277	FTMCRDFSTBVLMQ-QMMMGPOBSA-N	286.734	1.801	10	20	CDCD	
Cc1cnc(C(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)cn1	832292732	KXLKWNXKDCMLHG-CQSZACIVSA-N	299.378	1.281	10	20	CDCD	
CC[C@@H](C)NC(=N)NCc1cc(OC)ccc1O	849009074	YYTFICQBDVTJNL-SECBINFHSA-N	251.330	1.813	10	20	CDCD	
C[C@@H]1CN=C(NCc2ccc(N3CCSCC3)cc2)N1	848993545	IOLLJXKHOZKQBF-GFCCVEGCSA-N	290.436	1.677	10	20	CDCD	
O=C(NCc1cc(Cl)ccc1O)[C@@]1(O)CCSC1	846474617	WXTMBCFOZUYWIZ-GFCCVEGCSA-N	287.768	1.530	10	20	CDCD	
CCOC(=O)CCCNC(=O)NCCc1ccc(N)cc1	841702756	GEMWHPBUJMFMGO-UHFFFAOYSA-N	293.367	1.454	10	20	CDCD	
C[C@@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)CC[C@H]1N	841651901	CETIWNJFLMYEFR-IUODEOHRSA-N	290.411	1.631	10	20	CDCD	
COCC1(c2nc(Cc3ccc(N)cc3)no2)CC1	843159198	MIGINSFGSBGOOC-UHFFFAOYSA-N	259.309	1.921	10	20	CDCD	
CCc1cccc(CNCCCn2cc(CO)nn2)c1O	848912269	CWQVHAOWDVGJQY-UHFFFAOYSA-N	290.367	1.218	10	20	CDCD	
COc1cccc([C@H](C)N[C@H](C)C[S@@](C)=O)c1O	846162603	IOKMJZRLNBOJCM-AUSHCKSDSA-N	271.382	1.818	10	20	CDCD	
Nc1ccc(NC(=O)C(=O)N2CCC[C@H]3CCC[C@H]32)cc1	841052596	VBPMVJFONULKOS-BXUZGUMPSA-N	287.363	1.998	10	20	CDCD	
Nc1ccc(NC(=O)C(=O)N2[C@H]3CCC[C@H]2CC3)cc1	841065221	ZCMKBTRBZBOAGR-STQMWFEESA-N	273.336	1.751	10	20	CDCD	
O=C(NCc1ccc(N2CCCC2)cc1)N1CCNCC1	841710086	SIPUICYSIZPDAG-UHFFFAOYSA-N	288.395	1.402	10	20	CDCD	
COc1cc(O)c(CN2C[C@H]3CCC[C@@]3(N)C2)cc1OC	857226523	QMLAUKBYTOTMEK-MLGOLLRUSA-N	292.379	1.723	10	20	CDCD	
C[C@@H]1OCC[C@@H]1NCc1ccc(N2CCC(O)CC2)cc1	850406390	FNNCVGFUGYRFKW-GUYCJALGSA-N	290.407	1.915	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](O)C1CC1	854324797	PQAWYZKUJHCWMG-AWEZNQCLSA-N	262.353	1.482	10	20	CDCD	
C[C@H]1CCN(S(=O)(=O)N[C@H](C)c2ccccc2O)C1	867835012	ZDLFXXSVHSRGMC-WDEREUQCSA-N	284.381	1.629	10	20	CDCD	
CCc1ccc(/C=C2\SC(=S)N(CC(N)=O)C2=O)o1	760214947	DAYRSZQRRGBBMA-UITAMQMPSA-N	296.373	1.529	10	20	CDCD	
COc1cccc(CNC[C@H](CO)Cc2ccco2)c1O	768841710	NGTFPJNTGMCOAA-GFCCVEGCSA-N	291.347	1.935	10	20	CDCD	
C[C@H]1C[C@@H](O)CN1Cc1ccc(N2CCC(O)CC2)cc1	877468108	YWGAZKSACHRSNX-SUMWQHHRSA-N	290.407	1.603	10	20	CDCD	
CCOC(=O)CCN(C)C(=O)/C=C\c1ccc(O)c(O)c1	779482788	AWGOEDMRZYYSFX-ALCCZGGFSA-N	293.319	1.523	10	20	CDCD	
Cc1cccc(O)c1CNC[C@@H]1COC2(CCOCC2)O1	877142330	RNYANHRVSZLQEB-CYBMUJFWSA-N	293.363	1.712	10	20	CDCD	
COc1ccc(O)c(CNS(=O)(=O)C2CCC2)c1	881925044	WPUZMDHTAGYPAK-UHFFFAOYSA-N	271.338	1.373	10	20	CDCD	
CC(=O)c1cc(F)cc(CN(C)CC[C@H](C)O)c1O	79464779	FEPGZQIWDOESOB-VIFPVBQESA-N	269.316	1.937	10	20	CDCD	
COCc1cc(NCc2cc(OC)ccc2O)ncn1	782142546	NLEGIQHITFTJIA-UHFFFAOYSA-N	275.308	1.949	10	20	CDCD	
COc1ccc(CN2CCC[C@H](O)C2)c(O)c1OC	891451730	RYYALPIHWJQONL-NSHDSACASA-N	267.325	1.366	10	20	CDCD	
COC(=O)[C@@H]1CC[C@H](NCc2cc(F)ccc2O)C1	896124294	ILFUROBPFHRMBE-SKDRFNHKSA-N	267.300	1.963	10	20	CDCD	
O=C(CNC(=O)c1cccs1)NCc1ccccc1O	701168500	BJAUWFFKGCISOR-UHFFFAOYSA-N	290.344	1.500	10	20	CDCD	
CC[C@H](C(=O)O)N(C)Cc1cc(OC)ccc1O	86803562	CFORSQLYSWCPCS-LLVKDONJSA-N	253.298	1.696	10	20	CDCD	
CCn1cccc(CNCc2c(O)cccc2OC)c1=O	788523391	BUBXOPYWWCZIFL-UHFFFAOYSA-N	288.347	1.872	10	20	CDCD	
O=C(COCC1CC1)OCC(=O)c1ccc(O)c(O)c1	782899359	RHIJBLBMXANIFD-UHFFFAOYSA-N	280.276	1.250	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N1CC([C@H]2CCOC2)C1	792615861	UYYPLMUKOYVVKM-QQHVMHFCSA-N	289.331	1.606	10	20	CDCD	
COc1ccc(CNC(=O)NOC[C@H]2CCOC2)c(O)c1	793072927	FFWISFZSODRAJT-JTQLQIEISA-N	296.323	1.168	10	20	CDCD	
COc1ccc(CNC(=O)C[C@H]2CCOC2)c(O)c1	794379798	WMBQQQYEQHLNFM-SNVBAGLBSA-N	265.309	1.444	10	20	CDCD	
O=C(NCc1ccccc1O)C(=O)Nc1cncc(F)c1	799252723	KJXSGZJFLHXTPB-UHFFFAOYSA-N	289.266	1.181	10	20	CDCD	
COc1cccc(O)c1CNC[C@H](CO)[C@@H]1CCOC1	795584007	VDYNZBZUZVJZQW-VXGBXAGGSA-N	281.352	1.135	10	20	CDCD	
CCN(CC(=O)O)C(=O)NCc1ccc(N(C)C)cc1	780351249	WIEVKKQJAHEMGT-UHFFFAOYSA-N	279.340	1.369	10	20	CDCD	
C[C@H]1CCN(C(=O)NCc2ccc(N)cc2)C[C@@H]1CN	1346739306	PNAAPYQCPLXCQP-AAEUAGOBSA-N	276.384	1.395	10	20	CDCD	
Nc1ccc(CNC(=O)NC2CCC(N)CC2)cc1	1353415788	KECNGVWSKKSQKB-UHFFFAOYSA-N	262.357	1.338	10	20	CDCD	
Cc1ncc(NC(=O)c2cccc(O)c2O)cc1C(=O)O	1600743295	XWXQXQMZVNNCRO-UHFFFAOYSA-N	288.259	1.752	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H](C(=O)O)C(C)C)c1O	1604680244	JWSIMYUTSQFEFG-SNVBAGLBSA-N	298.295	1.508	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NCc2ncn(C)n2)c1	230670181	JOEYRDLDLRGEEY-SECBINFHSA-N	262.313	1.380	10	20	CDCD	
CC[C@@H](NCCS(=O)(=O)N(C)C)c1ccccc1O	230994404	ALJZEBKHFIXTGK-GFCCVEGCSA-N	286.397	1.324	10	20	CDCD	
COc1cccc(O)c1CN1CCC([C@@H](C)N)CC1	843052897	OHVWSEZEMLZPIG-LLVKDONJSA-N	264.369	1.960	10	20	CDCD	
C[C@@H](NCCS(=O)(=O)C1CC1)c1ccc(N(C)C)cc1	840879859	ANQDPVGKSMPDRE-GFCCVEGCSA-N	296.436	1.980	10	20	CDCD	
Cc1cccc(O)c1CNCCC(=O)NC(C)C	876922992	OKJKKHLQTIJLOM-UHFFFAOYSA-N	250.342	1.705	10	20	CDCD	
Cc1cccc(O)c1CNC[C@H]1CN2CCC[C@H]2CO1	877022714	QPNZZALTXCWWNW-KBPBESRZSA-N	276.380	1.653	10	20	CDCD	
Cc1ccc(CNCCN2CCSCC2)c(O)c1	877150322	OQVFGXZXORTNBE-UHFFFAOYSA-N	266.410	1.839	10	20	CDCD	
COc1cccc(CNC2CCN(C)CC2)c1O	37267143	PAYGKCDBFMPCQH-UHFFFAOYSA-N	250.342	1.585	10	20	CDCD	
CCc1nc(CN[C@@H](C)c2cc(OC)ccc2O)n[nH]1	160415005	YAIHUSUUQNGEOP-VIFPVBQESA-N	276.340	1.932	10	20	CDCD	
CC[C@H](C)NC(=O)CCNCc1cccc(OC)c1O	38013694	KNZKXEWYDJONOK-NSHDSACASA-N	280.368	1.795	10	20	CDCD	
C[C@H]1CN(Cc2ccccc2O)C[C@@H](C)S1(=O)=O	290762051	BPNHSIVLDONTCE-PHIMTYICSA-N	269.366	1.400	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2ccc3nccn3c2)c1	172042626	PQEUUGMIWOPNOY-UHFFFAOYSA-N	297.314	1.979	10	20	CDCD	
Oc1ccc(F)cc1CN1CCC2(CC1)OCCO2	179912213	NLINRRZRAGSIKR-UHFFFAOYSA-N	267.300	1.870	10	20	CDCD	
Cc1cccc(CN2C[C@@H](CO)OC[C@@H]2C)c1O	305800496	XDJKAQOXTQCHJW-AAEUAGOBSA-N	251.326	1.282	10	20	CDCD	
Cc1cccc(CN(C)[C@@H]2CCCCNC2=O)c1O	367719995	JMAQGPKSPHAOAG-CYBMUJFWSA-N	262.353	1.801	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CCC(=O)O	32113410	HKNGACJTFKZJRY-UHFFFAOYSA-N	264.325	1.576	10	20	CDCD	
Cc1ccc([C@@H](C)N[C@@H](C)CN2CCN(C)CC2)c(O)c1	185392714	XWEAXLYSKRWABD-LSDHHAIUSA-N	291.439	1.987	10	20	CDCD	
COC(=O)N1CC(N[C@H](C)c2ccc(C)cc2O)C1	186137683	NGSVGDLZNGZKMC-SNVBAGLBSA-N	264.325	1.802	10	20	CDCD	
NC(=O)COc1ccc(NC(=O)Cc2ccc(N)cc2)cc1	315525919	VCJQGTMYDYXJCU-UHFFFAOYSA-N	299.330	1.314	10	20	CDCD	
Cc1ccc(O)c([C@@H](C)N[C@@H](C)CN2CCN(C)CC2)c1	185391968	KZVVIQTWJRVYIQ-LSDHHAIUSA-N	291.439	1.987	10	20	CDCD	
CC[C@H](CO)NC(=O)NCc1ccc(N2CCCC2)cc1	47602039	AJSUOZXQKRCLMD-CQSZACIVSA-N	291.395	1.857	10	20	CDCD	
CCCOc1ccc(CN(C)CC(N)=O)c(O)c1	132137149	RCMNGSRDCYZKPT-UHFFFAOYSA-N	252.314	1.098	10	20	CDCD	
CN(C)c1ccc(CNCCCn2cncn2)cc1	381659216	DKGWQESQXXTNSK-UHFFFAOYSA-N	259.357	1.524	10	20	CDCD	
CCOCCOCCN(C)Cc1cccc(OC)c1O	191571917	VMSUMUMQELZTLQ-UHFFFAOYSA-N	283.368	1.886	10	20	CDCD	
O=C(O)CN(Cc1ccccc1O)C[C@H]1CCCO1	238124835	VTRRQWNFKAPJEH-GFCCVEGCSA-N	265.309	1.458	10	20	CDCD	
OC[C@H]1CCN(Cc2cccc(Br)c2O)C1	92764108	XBECTEBRQKMCTD-VIFPVBQESA-N	286.169	1.969	10	20	CDCD	
COC[C@H](CN[C@H]1CCc2cccc(O)c21)OC	296604392	XXZRNLOOFOXEQG-RYUDHWBXSA-N	251.326	1.631	10	20	CDCD	
C[C@@H](NCC(=O)NCC(F)(F)F)c1ccc(F)cc1O	185179326	GZLWDJCRHUGHLO-SSDOTTSWSA-N	294.248	1.860	10	20	CDCD	
Nc1ccc(CC(=O)N2CCCC3(CCNCC3)C2)cc1	368826441	VLDLFIJKTSWESV-UHFFFAOYSA-N	287.407	1.804	10	20	CDCD	
CN(C)c1ccc(CN2CC[C@@H](N3CCCC3=O)C2)cc1	276860665	WURJICULMPCDII-MRXNPFEDSA-N	287.407	1.949	10	20	CDCD	
CO[C@H](C)C(=O)NCc1cccc(Br)c1O	277536987	MYPOPTWRQHDVOZ-SSDOTTSWSA-N	288.141	1.806	10	20	CDCD	
CCN(CCO)CCNCc1ccc(OC)c(C)c1	274474777	ZTSFKDPHPFZGTC-UHFFFAOYSA-N	266.385	1.407	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@@H](C)C[S@@](C)=O)c1	273438802	MODQIVTZTCFJCB-QDDONVENSA-N	299.392	1.596	10	20	CDCD	
CC[C@]1(CO)CCCN(C(=O)c2cccc(O)c2O)C1	280535945	SDIVUDJPFGOWBI-HNNXBMFYSA-N	279.336	1.723	10	20	CDCD	
C[C@H](O)c1cn(C2CN(Cc3ccccc3O)C2)nn1	378533190	NHCCKUOUUIDWBL-JTQLQIEISA-N	274.324	1.094	10	20	CDCD	
CC[C@@H](N[C@@H]1CC(=O)N(C)C1)c1ccc(F)cc1O	286062713	LMTTXLQBDMWDEC-ZYHUDNBSSA-N	266.316	1.803	10	20	CDCD	
CC(=O)C(=O)CN1C(=O)N[C@](C)(CCC=C(C)C)C1=O	289797888	YDRGGHNGONVXSS-CQSZACIVSA-N	280.324	1.201	10	20	CDCD	
C[C@H](O)CN1CCN(Cc2cccc(Cl)c2O)[C@H](C)C1	281129850	YEKPLKSSWVHKDE-NEPJUHHUSA-N	298.814	1.933	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNC[C@@H](CO)C(C)C)c1O	809723515	JHRMCLGYAVZIAX-NSHDSACASA-N	298.339	1.663	10	20	CDCD	
CO[C@@H]1CCC[C@@H](C(=O)NCc2ccc(O)c(O)c2)C1	815836335	ZIOWBTACILEAAK-VXGBXAGGSA-N	279.336	1.919	10	20	CDCD	
CN(C)c1ccc([C@H](N)CN[C@H]2CCC[C@@H]2N)cc1	817941519	RAZAWKXYSMQBGV-ZNMIVQPWSA-N	262.401	1.222	10	20	CDCD	
COc1cccc(O)c1CN1CCC[C@@H](n2ccnn2)C1	822502952	BIIUKJUPZZWMIW-GFCCVEGCSA-N	288.351	1.829	10	20	CDCD	
C[C@H](NCCN1CCCOCC1)c1cc(F)ccc1O	903228925	TXFKBSDZIUMVFE-LBPRGKRZSA-N	282.359	1.904	10	20	CDCD	
COCCN(CC(=O)O)Cc1ccc(N(C)C)c(F)c1	820723554	RSGOUUHZXSIWSI-UHFFFAOYSA-N	284.331	1.425	10	20	CDCD	
COc1cc(O)c(CN[C@@H]2CCC[C@@H]2CO)cc1OC	825183405	MPRKICOXTFNOIQ-ZYHUDNBSSA-N	281.352	1.660	10	20	CDCD	
O=C(N[C@H]1CCN(CC2CC2)C1)c1cc(O)cs1	732289948	FITOTHHJEHAJHL-JTQLQIEISA-N	266.366	1.668	10	20	CDCD	
CN1CC2(CCN(C(=O)c3cc(O)cs3)C2)C1	834522696	SORCZGRZGPGNIO-UHFFFAOYSA-N	252.339	1.231	10	20	CDCD	
CN1CCC(CCO)(NC(=O)c2cc(O)cs2)CC1	831785864	REEWMAGDDSWUOW-UHFFFAOYSA-N	284.381	1.030	10	20	CDCD	
COc1cc(O)c(CN2CCN(C(=O)O)CC2)cc1OC	833729498	VCCSXVZCUWIMIQ-UHFFFAOYSA-N	296.323	1.205	10	20	CDCD	
COc1ccc(O)c(CNC(=S)NC(C)C)c1	733907435	VVNVFYMGAOIGTD-UHFFFAOYSA-N	254.355	1.773	10	20	CDCD	
CCn1ccnc1[C@H](C)NC(=O)c1cccc(O)c1O	836945845	DJPKJDUZNNBCCJ-VIFPVBQESA-N	275.308	1.805	10	20	CDCD	
COc1ccc(O)c(CNC(=O)N[C@@H]2COC[C@H]2C)c1	918745318	KGKXVGDQFVVLLK-BXKDBHETSA-N	280.324	1.235	10	20	CDCD	
COc1cc(O)c(CNC2(CC(=O)O)CCC2)cc1OC	833729740	XZBUMOJPLXJTAH-UHFFFAOYSA-N	295.335	1.896	10	20	CDCD	
C[C@H](C(=O)O)C(=O)NCc1c(O)ccc2c1CCCC2	841768578	NYPHOBFCZKDYOL-VIFPVBQESA-N	277.320	1.608	10	20	CDCD	
C[C@@](O)(CNC(=O)c1cc(O)cs1)c1ccco1	743655126	VHKSRGLVIGXFPT-GFCCVEGCSA-N	267.306	1.684	10	20	CDCD	
CCNCCCNC(=O)NCc1cccc(OC)c1O	841917198	HKNLIPKMBVDNHT-UHFFFAOYSA-N	281.356	1.200	10	20	CDCD	
COc1ccc(O)c(CNC(=O)C[C@@H](C)CC(=O)O)c1	911387769	UAPZCTFHFGCYFA-SECBINFHSA-N	281.308	1.518	10	20	CDCD	
Cc1nnc(S)n1CCNC(=O)c1cc(O)cs1	743500895	YWVOHFGHROPIAF-UHFFFAOYSA-N	284.366	1.072	10	20	CDCD	
C[C@H]1CC(=O)CC[C@H]1C(=O)NCc1ccc(O)cc1O	910950650	ZIRYIDFFGBSEMG-TVQRCGJNSA-N	277.320	1.719	10	20	CDCD	
COc1cc(O)c(CN[C@H](C)[C@H]2CCCNC2)cc1OC	841033656	RAPGPHALVQWEQE-NEPJUHHUSA-N	294.395	1.887	10	20	CDCD	
COc1cc(C)cc(CN2CC(=O)N[C@H](C)C2)c1O	840134839	UDIXARGUZMWOLF-SNVBAGLBSA-N	264.325	1.030	10	20	CDCD	
CCn1cc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2O)nn1	850522262	KKJWFXQTANHPCC-VIFPVBQESA-N	291.311	1.763	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)c1ccc2nnnn2c1	758341727	AMXMBWJOEGLWAX-UHFFFAOYSA-N	283.291	1.102	10	20	CDCD	
CCOC(=O)NCCCC(=O)NCc1cc(C)ccc1O	862757935	JCBWZPCRXITZSL-UHFFFAOYSA-N	294.351	1.843	10	20	CDCD	
CC[C@@](C)(O)C(=O)NCc1cc(OC)ccc1O	934941300	FCRBPVNFJCMCNU-CYBMUJFWSA-N	253.298	1.178	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)C(=O)N2CCC[C@H](C)C2)c1	862757355	QIZUOOLTRHJEDR-LBPRGKRZSA-N	290.363	1.575	10	20	CDCD	
Cc1ccc(CNC[C@H](C)CN2CCOCC2)c(O)c1	877057126	VAGUXDOQHXSRND-AWEZNQCLSA-N	278.396	1.759	10	20	CDCD	
C[C@@H]1OCC[C@H]1NCc1ccc(N2CCN(C)CC2)cc1	771866690	UNKSGEXIAKEOGS-WMLDXEAASA-N	289.423	1.705	10	20	CDCD	
CC(C)CN1C[C@@H](C(=O)N(C)c2ccc(N)cc2)CC1=O	877080101	GRYNOROEKJAQEQ-LBPRGKRZSA-N	289.379	1.736	10	20	CDCD	
CCN(C)c1ccc(CN2C[C@H](O)C[C@@H]2C(=O)OC)cc1	773889560	XSSIPQJPDSKTHQ-HUUCEWRRSA-N	292.379	1.251	10	20	CDCD	
C[C@H](NCC1(CC(N)=O)CC1)c1c(O)cccc1F	886628679	YUMGUTBARBNSQQ-VIFPVBQESA-N	266.316	1.838	10	20	CDCD	
COc1cc(C)cc(CNC2COC(C)(C)OC2)c1O	894460631	UQPWKWBEZVYVSP-UHFFFAOYSA-N	281.352	1.950	10	20	CDCD	
COc1ccc(O)c(CNC[C@@H]2CC(C)=NO2)c1	895307978	VTPRUNSIGGFRHW-LBPRGKRZSA-N	250.298	1.655	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)CC(=O)NCC	780968907	LXFOMBMBJDNRKR-UHFFFAOYSA-N	278.352	1.657	10	20	CDCD	
CO[C@H]1C[C@H](NC(=O)c2ccc(C)c(O)c2O)C1(C)C	780963331	AIXRBLJPRZOAPC-QWRGUYRKSA-N	279.336	1.950	10	20	CDCD	
COc1cc(C)cc(CN2C[C@@H](C)C[C@@H](O)C2)c1O	894950648	VGENTTXVKPNAAG-WCQYABFASA-N	265.353	1.912	10	20	CDCD	
COc1ccc(CN(CCO)C2CC2)c(O)c1OC	891618753	GKHZRFPTRBYCFP-UHFFFAOYSA-N	267.325	1.366	10	20	CDCD	
CC[C@]1(O)CCN(Cc2ccc(OC)c(OC)c2O)C1	893719950	TXZWBIFSFSBMJR-HNNXBMFYSA-N	281.352	1.756	10	20	CDCD	
COc1cc(C)cc(CN2C[C@@H](O)C(C)(C)C2)c1O	894595148	HMCNKFPWYRLKLU-CYBMUJFWSA-N	265.353	1.912	10	20	CDCD	
O=C(N[C@@H]1CCC[C@H]2OCC[C@H]12)c1cccc(O)c1O	193134296	OSZQJQOKOGLODY-IRUJWGPZSA-N	277.320	1.785	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)Nc1cncc(F)c1	799234660	XYZKMANYLSVXBI-UHFFFAOYSA-N	291.282	1.996	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N[C@H]2C[C@H](O)C2)cc1F	1327701360	WKOCKSVPNYHDKM-XYPYZODXSA-N	281.331	1.214	10	20	CDCD	
C[C@](NCc1ccc2c(c1)CCO2)(C(=O)O)C1CC1	1776450372	SAHSVMNDOWWJJR-OAHLLOKOSA-N	261.321	1.964	10	20	CDCD	
CN(C)c1ccc(CNC[C@H](CC(=O)O)C(=O)O)cc1	1331997776	GZRHCJCEMGILPO-NSHDSACASA-N	280.324	1.018	10	20	CDCD	
C[C@H]1C[C@H](NC(=O)NCc2ccc(N)cc2)c2nccn21	1335539256	PSAPOQSRVCOXQA-GWCFXTLKSA-N	285.351	1.971	10	20	CDCD	
CCCN(CCC)C(=O)C(=O)N(C)Cc1ccccc1O	1344599797	KUZXCDIFWWTEND-UHFFFAOYSA-N	292.379	1.999	10	20	CDCD	
C[C@H](CC(=O)NCc1cccc(O)c1O)n1ccnc1	1347541154	CZFBUQUJPFCBAL-SNVBAGLBSA-N	275.308	1.562	10	20	CDCD	
C[C@@H]1CC[C@H](NC(=O)NCc2c(O)cccc2F)CN1	1576667190	SGWFAJCIIRVONS-ZJUUUORDSA-N	281.331	1.471	10	20	CDCD	
Nc1ccc(CCNC(=O)c2cccnc2S)cc1	1580443426	FAOSEVLKBDLVOJ-UHFFFAOYSA-N	273.361	1.925	10	20	CDCD	
COC[C@](C)(CC(=O)O)NCc1cc(F)c(F)cc1O	1599149805	RCIINVJSMXZLFV-ZDUSSCGKSA-N	289.278	1.640	10	20	CDCD	
CN(C)c1ccc(CN[C@@H]2C=C[C@H](C(=O)O)C2)cc1	1777039971	PIEZITWQFIDYMY-QWHCGFSZSA-N	260.337	1.872	10	20	CDCD	
CN1CCC(N(CCO)Cc2cc(Cl)ccc2O)CC1	155507860	QLNRSRNJGDXLHY-UHFFFAOYSA-N	298.814	1.934	10	20	CDCD	
Cc1ccc(CN(C)C[C@H]2COCCO2)c(O)c1	877628526	JEMCBDBMFWNOLG-ZDUSSCGKSA-N	251.326	1.548	10	20	CDCD	
COc1ccc(O)c(CNC[C@@H]2[C@@H](C(=O)O)C2(F)F)c1	715299416	XRZJDHMCCSRAOO-KOLCDFICSA-N	287.262	1.456	10	20	CDCD	
COc1ccc(O)c(CNC(=O)NCCn2cccn2)c1	114969707	WCAUPQPHVTURQG-UHFFFAOYSA-N	290.323	1.097	10	20	CDCD	
O=C(CCCNCc1cc2c(cc1O)OCO2)NC1CC1	112017141	JJXWBWJLUOQNAZ-UHFFFAOYSA-N	292.335	1.269	10	20	CDCD	
Cc1ccc(CNC=C2C(=O)N(C)C(=O)N(C)C2=O)cc1	60863161	LYALHNXVFJOHQF-UHFFFAOYSA-N	287.319	1.019	10	20	CDCD	
C[C@@H](Cn1ccnc1)NC(=O)c1cccc(O)c1O	126307952	JDQDMAGOXCLXBP-VIFPVBQESA-N	261.281	1.113	10	20	CDCD	
CC(=O)NC[C@H]1CN(Cc2cccc(Cl)c2O)CCO1	180283869	JJSISJAGUOLISD-LBPRGKRZSA-N	298.770	1.383	10	20	CDCD	
COC(=O)[C@@H]1[C@H](O)CCCN1Cc1cc(F)ccc1O	188787842	YPGUNYQQPGBQBA-OLZOCXBDSA-N	283.299	1.030	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2cnn(C)c2N)c1	184355302	BEMDWPMKNRGVPA-MRVPVSSYSA-N	290.323	1.208	10	20	CDCD	
Cc1cccc(CN2CCC[C@H](CC(N)=O)C2)c1O	180560027	UPZPLJZNEKNXPL-GFCCVEGCSA-N	262.353	1.788	10	20	CDCD	
COCCN(CC(=O)OC)Cc1cc(F)ccc1O	180157628	VXLACCYOERGDJM-UHFFFAOYSA-N	271.288	1.153	10	20	CDCD	
CC[C@H](N)C(=O)NCc1ccc(N2CCOCC2)c(F)c1	132915429	DYZJXMDYRUXNKN-ZDUSSCGKSA-N	295.358	1.016	10	20	CDCD	
COc1ccc(O)c(CNS(=O)(=O)c2ccccn2)c1	132493283	RUYKAMNYZPSOQO-UHFFFAOYSA-N	294.332	1.274	10	20	CDCD	
CCn1nncc1CNCc1cc(OC)ccc1O	529638597	LSWVEJLFHRNJGH-UHFFFAOYSA-N	262.313	1.302	10	20	CDCD	
CC(C)CN1CC[C@H](CNC(=O)Cc2ccc(N)cc2)C1	236789582	UHDDTXULRRBJBD-OAHLLOKOSA-N	289.423	1.905	10	20	CDCD	
O=C(NCC1CC=CC1)c1c(F)ccc(O)c1O	530274339	QHMFTLYMGIJUIZ-UHFFFAOYSA-N	251.257	1.933	10	20	CDCD	
CCOCCOCCN(C)C(=O)c1cccc(O)c1O	276199333	JUVKORQPOLEMEC-UHFFFAOYSA-N	283.324	1.223	10	20	CDCD	
Cc1noc([C@H]2CCCN2C(=O)c2cccc(O)c2O)n1	286470360	GUNCZSUVMPMVSC-SNVBAGLBSA-N	289.291	1.767	10	20	CDCD	
C[C@@H]1CCNC(=O)[C@@H]1NCc1ccc(N(C)C)c(F)c1	282367961	NTLPUNJJVZYBBW-QMTHXVAHSA-N	279.359	1.506	10	20	CDCD	
CCNC(=O)CN(Cc1ccc(N(C)C)cc1)C1CC1	298727063	QLSJDTAGPFTFFJ-UHFFFAOYSA-N	275.396	1.853	10	20	CDCD	
COc1ccc(O)c(CNC(=O)NCCC2(O)CCC2)c1	806811020	RIVAHBQHLFFFBB-UHFFFAOYSA-N	294.351	1.505	10	20	CDCD	
Oc1cc2c(cc1CN1CC[C@@H](n3cccn3)C1)OCO2	290863779	ANXXLTIJWUNFIY-GFCCVEGCSA-N	287.319	1.764	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N2CC[C@@](F)(CO)C2)cc1	801965043	AKDJPGUXEDJDEB-HNNXBMFYSA-N	295.358	1.369	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1C[C@H]1C(=O)O	649461491	FFTIBVYKNCKZHL-GHMZBOCLSA-N	290.319	1.199	10	20	CDCD	
Oc1cc(F)c(Cl)cc1CNCCN1CCC1	816558353	VESWQFBAITWTPY-UHFFFAOYSA-N	258.724	1.980	10	20	CDCD	
COc1cccc(CNC(=O)C2(C)CCOCC2)c1O	729858786	BUIXKSPIIFRNFL-UHFFFAOYSA-N	279.336	1.834	10	20	CDCD	
CC(=O)N1CCC[C@@H](C(=O)N[C@H](C)c2ccccc2O)C1	827923344	PJCOOYBHDMYBCN-DGCLKSJQSA-N	290.363	1.828	10	20	CDCD	
COC(=O)[C@@H]1CCC[C@@H]1NCc1cc2c(cc1O)OCO2	824702365	LZZVAQXQDUBWQG-MNOVXSKESA-N	293.319	1.552	10	20	CDCD	
COCCC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	727091853	JZMVVGFZCDUBOS-ZDUSSCGKSA-N	292.379	1.737	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)C(C)(C)N)c1	828666827	JJJCEZUKOUWULN-MRVPVSSYSA-N	252.314	1.315	10	20	CDCD	
C[C@@H]1CN(Cc2ccccc2O)C[C@H](C(=O)O)O1	901911978	QDPLUIOABSIHKA-BXKDBHETSA-N	251.282	1.066	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@@H]1[C@H]2CCC(=O)[C@@H]21	906991305	MEINENQIWOHGRE-ZLKJLUDKSA-N	259.305	1.576	10	20	CDCD	
C[C@H](OC(=O)c1cc(O)cs1)C(=O)Nc1ncccn1	732354808	RWBVAYUQPBVNPZ-ZETCQYMHSA-N	293.304	1.428	10	20	CDCD	
CC[C@H]1CC[C@H](C(=O)NCc2ccc(O)cc2O)O1	910950865	LHJLWCSNWQIKPR-WCQYABFASA-N	265.309	1.672	10	20	CDCD	
C[C@@H](COCC1CC1)NC(=O)Cc1ccc(N)cc1	846695520	DICLVFHQQNEZBY-NSHDSACASA-N	262.353	1.743	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@H](C)C(=O)O	842651315	YAHTYPBYTFRWMF-JTQLQIEISA-N	264.325	1.398	10	20	CDCD	
COc1cccc(CN2CCNC[C@H]2c2ccncc2)c1O	843120394	IUWIDUXKCLWOOG-HNNXBMFYSA-N	299.374	1.942	10	20	CDCD	
COc1cccc([C@@H](C)NCCCn2cncn2)c1O	846162958	NIDFEJPNATVPQT-LLVKDONJSA-N	276.340	1.733	10	20	CDCD	
CCN(CC)CCOCCNC(=O)Nc1ccc(N)cc1	841295967	LHLGWOYDJAWDGC-UHFFFAOYSA-N	294.399	1.749	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	840369627	NKEWNJWZPMLUDV-ZYHUDNBSSA-N	291.307	1.143	10	20	CDCD	
C[C@@H]1CN(C(=O)/C=C/c2cn(C)cn2)c2cccnc2O1	935379709	FWSPTPDPLKVSIU-MVIFTORASA-N	284.319	1.642	10	20	CDCD	
CCOc1cccc(CN(C)[C@]2(CO)CCOC2)c1O	862427146	UVFPVMGTPZYANG-HNNXBMFYSA-N	281.352	1.374	10	20	CDCD	
COc1cccc(O)c1CNC[C@@H](CO)Cc1ccco1	768842892	ZBDUAKMZBYWRLS-LBPRGKRZSA-N	291.347	1.935	10	20	CDCD	
Cc1ccc(/C=C2\SC(=S)N(CC(N)=O)C2=O)cn1	764886374	QOLQWPNAPRKKOV-WTKPLQERSA-N	293.373	1.077	10	20	CDCD	
Oc1cc2c(cc1CN1C[C@H]3CC[C@H]1[C@@H](O)C3)OCO2	1119337331	FREYULHMOHGCBU-GAFUQQFSSA-N	277.320	1.466	10	20	CDCD	
Cc1ccc(CN2CC[C@@H](NC(=O)NC3CC3)C2)c(O)c1	877352519	HBBIUSOWJALIMA-CQSZACIVSA-N	289.379	1.737	10	20	CDCD	
COc1cccc(O)c1CN1CC[C@@H](O)[C@H](C)C1	779199754	KVJLTWNMIZSBJH-ZYHUDNBSSA-N	251.326	1.604	10	20	CDCD	
Cc1noc(C)c1C(=O)NCc1ccc(O)c(O)c1	778916512	JXISDDGIDDGCFX-UHFFFAOYSA-N	262.265	1.633	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)NCc1cccc(F)n1	779534621	PXBWTIDGMKZCQL-ALCCZGGFSA-N	288.278	1.962	10	20	CDCD	
C[C@H]1CC[C@H](NC(=O)C(=O)N(C)Cc2ccccc2O)C1	1119547457	NOZHFBCMGLPKHZ-AAEUAGOBSA-N	290.363	1.655	10	20	CDCD	
CC(=O)N1CC[C@@H](NCc2cc(F)cc(F)c2O)C1	883183488	CJOQZCIQTBDPSP-LLVKDONJSA-N	270.279	1.381	10	20	CDCD	
Cc1ccc(CNC(=O)c2cc(O)cs2)c(=O)n1C	787925852	QUHQNCJFXMKTCX-UHFFFAOYSA-N	278.333	1.391	10	20	CDCD	
COc1ccc(CN2CCN(C(C)=O)CC2)c(O)c1OC	891445713	UDRJVJQZARLBBU-UHFFFAOYSA-N	294.351	1.074	10	20	CDCD	
CN(C)c1ccc(CN[C@@H]2CCCC[C@@H]2C(N)=O)cc1	273396521	LEPCIOCWSFOWGG-LSDHHAIUSA-N	275.396	1.886	10	20	CDCD	
CCOC(=O)[C@@H](C)NCc1cc(C)cc(OC)c1O	894537316	CKKQKPYMHZBVNY-SNVBAGLBSA-N	267.325	1.750	10	20	CDCD	
C[C@@H](NC(=O)NC[C@@H](N)C1CC1)c1ccccc1O	892050944	JJYBGULMPUHNDP-BXKDBHETSA-N	263.341	1.490	10	20	CDCD	
COc1ccc(CNCCn2ccnc2)c(O)c1OC	892441897	SMEXMKDPVPVQEI-UHFFFAOYSA-N	277.324	1.396	10	20	CDCD	
Cc1nc([C@H]2CCN(Cc3cc(F)ccc3O)C2)n[nH]1	895008220	TZEBHIGSNRADJB-JTQLQIEISA-N	276.315	1.947	10	20	CDCD	
CNC(=O)[C@H](CC(C)C)NCc1cc(C)cc(OC)c1O	894366913	OMCKGTSWKHSFLU-ZDUSSCGKSA-N	294.395	1.960	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2ccc(N)nc2)cc1	746297690	WFMOIAYBRPZCDD-UHFFFAOYSA-N	270.336	1.660	10	20	CDCD	
COc1ccc(CNC(=O)[C@@H]2CCSC2)c(O)c1	794390788	RBIFJIGCETUBFE-SNVBAGLBSA-N	267.350	1.770	10	20	CDCD	
CC[C@@H](C[C@H](C)CO)NC(=O)c1cccc(O)c1O	790911654	TUNKHNYHXJUCET-UWVGGRQHSA-N	267.325	1.625	10	20	CDCD	
COc1ccc(CNC(=O)NCC2(OC)CCC2)c(O)c1	793042963	PESWVDAYIHYJCE-UHFFFAOYSA-N	294.351	1.769	10	20	CDCD	
C[C@@H](CNCc1cc(Cl)ccc1O)S(C)(=O)=O	697641144	JQRBGMKDLRVJCE-QMMMGPOBSA-N	277.773	1.568	10	20	CDCD	
CN(C)c1ccc(CNC(=O)C[C@@H]2CSCCN2)cc1	91138070	UJCNXLFPWYGHQC-CYBMUJFWSA-N	293.436	1.464	10	20	CDCD	
CCn1ncnc1CN[C@@H](C)c1ccc(F)cc1O	794843739	XRBQHGGVRLKLQV-VIFPVBQESA-N	264.304	1.994	10	20	CDCD	
COc1ccc(CN[C@@H](C)C(=O)N(C)C)cc1C	37268017	AMQZSTDVNKBJTE-NSHDSACASA-N	250.342	1.570	10	20	CDCD	
CCC[C@H](C)NC(=O)C(=O)NCc1ccc(N(C)C)cc1	1325745455	IDIOWVKHYJYSLL-LBPRGKRZSA-N	291.395	1.674	10	20	CDCD	
CCc1cc(C(=O)NCc2ccc(OC)cc2O)nn1C	1321219109	BVVNDQFEVGSMPM-UHFFFAOYSA-N	289.335	1.627	10	20	CDCD	
C[C@]1(CNC(=O)NCc2ccc(N)cc2)CCOC1	1335484225	YFVRJZJQARWRFR-CQSZACIVSA-N	263.341	1.495	10	20	CDCD	
C[C@@H](NCc1cc(F)ccc1O)C(=O)NC(C)(C)C	226586534	WPSDGLPXTJRYMJ-SECBINFHSA-N	268.332	1.924	10	20	CDCD	
CC[C@@H](NCCCOC)c1cccc(-c2nn[nH]n2)c1O	1604054275	HKLORELRUMOCCN-GFCCVEGCSA-N	291.355	1.650	10	20	CDCD	
O=C(c1c[nH]c(-c2nn[nH]n2)c1)N1Cc2cccc(O)c2C1	1606998426	GCTMSWPJDZFDKX-UHFFFAOYSA-N	296.290	1.056	10	20	CDCD	
COc1ccc(CNC[C@@]2(OC)CCOC2)c(O)c1	122919611	YOVJQLRYNJLLQF-AWEZNQCLSA-N	267.325	1.296	10	20	CDCD	
C[C@@H](NCCOCC(=O)O)c1ccc(N(C)C)cc1	1589128313	PINXHSAXCPERBV-LLVKDONJSA-N	266.341	1.504	10	20	CDCD	
NC(=O)c1ccc(/C=C/C(=O)NCc2ccc(N)cc2)o1	1580103099	QUDAGLYYCAZLEP-SOFGYWHQSA-N	285.303	1.290	10	20	CDCD	
CN(C)c1ccc(CN2C[C@@H](C(=O)O)C[C@@H](O)C2)cc1F	1598317729	KQTPAIXFPKWNIZ-NWDGAFQWSA-N	296.342	1.159	10	20	CDCD	
CCOc1ccc(CN2C[C@@H](C(=O)O)C[C@@H](O)C2)c(O)c1	1597102078	MVLVPIBVELJFNM-NWDGAFQWSA-N	295.335	1.058	10	20	CDCD	
Nc1ccc(NC(=O)Cn2c(=O)oc3ccccc32)cc1	19267402	ODXCAYPUPRKQAK-UHFFFAOYSA-N	283.287	1.815	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@H]2CCCCO2)c1	158353252	ARIUPEZCERORAK-CYBMUJFWSA-N	265.309	1.586	10	20	CDCD	
CN(CC1CCNCC1)C(=O)Cc1ccc(N)cc1	1122564127	PDDBKEWIXOARAE-UHFFFAOYSA-N	261.369	1.269	10	20	CDCD	
CCN(CC)C[C@H](C)NC(=O)Cc1ccc(N)cc1	45661692	IURMBQGZNMAKNZ-LBPRGKRZSA-N	263.385	1.658	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC[C@H](C)S(C)(=O)=O)c1	697611486	CASPCDSQVZZBAX-UWVGGRQHSA-N	287.381	1.485	10	20	CDCD	
Cc1ccc(C(=O)N(C)CC(=O)NC(C)C)c(O)c1O	177676176	UEMNQDBIZKFWCO-UHFFFAOYSA-N	280.324	1.003	10	20	CDCD	
COc1cccc(CNC(=O)Nc2ccn(C)n2)c1O	107056641	BKIGXOCAVPCMAA-UHFFFAOYSA-N	276.296	1.456	10	20	CDCD	
CCCN(CC(=O)NC)Cc1cccc(C)c1O	124563811	JVVJCKBALNBILU-UHFFFAOYSA-N	250.342	1.659	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1nccnc1N	73419032	SEJUOENCZBJXAA-UHFFFAOYSA-N	299.378	1.787	10	20	CDCD	
O=C1OC[C@H]2CN(Cc3cccc(Cl)c3O)CCN12	378443588	MZZZJDZIFLUCAR-SNVBAGLBSA-N	282.727	1.682	10	20	CDCD	
C[C@H](N)CC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	40855894	LQXVLZFSQCGKQQ-ZDUSSCGKSA-N	291.395	1.219	10	20	CDCD	
Cc1cc(O)c(CNC[C@@H]2CCCS2(=O)=O)cc1C	131745967	SXNNFEFUSDHADN-ZDUSSCGKSA-N	283.393	1.676	10	20	CDCD	
O=C(NCc1ccc(N2CCOCC2)cc1)c1ccncc1	49740539	WYPGNKZJNBSPFJ-UHFFFAOYSA-N	297.358	1.848	10	20	CDCD	
C[C@H]1[C@@H](C)N(Cc2ccccc2O)CCS1(=O)=O	179577967	DZNCMRCKHZVIPK-MNOVXSKESA-N	269.366	1.400	10	20	CDCD	
COc1cccc(CNC(=O)NC[C@H]2CCCO2)c1O	97595838	RHZFKMLCBXRWAL-LLVKDONJSA-N	280.324	1.379	10	20	CDCD	
Cc1c(CNC(=O)Cn2cccn2)n(C)c2ccccc12	348635914	ORLKFADFKPRBES-UHFFFAOYSA-N	282.347	2.000	10	20	CDCD	
Cc1ccc(C(=O)N2CCOC[C@@H]2C[C@H](C)O)c(O)c1O	274411872	MKZYUYJUYKBZBE-QWRGUYRKSA-N	295.335	1.018	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)NCCCN(C)C)c1	273378287	HRPUQLLCJXQRFP-LLVKDONJSA-N	280.368	1.781	10	20	CDCD	
COC[C@@H](NCc1ccc([N+](=O)[O-])c(OC)c1O)C1CC1	278554427	ZPRRVGHYEAWAMU-LLVKDONJSA-N	296.323	1.824	10	20	CDCD	
C[C@@H](NCC(F)(F)CO)c1cc([N+](=O)[O-])ccc1O	274456984	ZQXMUSVYCZIOPL-SSDOTTSWSA-N	276.239	1.579	10	20	CDCD	
COc1cccc(CNC(=O)CCc2cncn2C)c1O	279848494	JWWYXDMRJFZIDD-UHFFFAOYSA-N	289.335	1.383	10	20	CDCD	
Cc1ccc(C(=O)N[C@H](C)c2nncn2C)c(O)c1O	271286458	PEMDBLIIKOWTNV-MRVPVSSYSA-N	276.296	1.026	10	20	CDCD	
C[C@H]1C(=O)CC[C@H]1CC(=O)NCc1ccc(O)c(O)c1	279707648	ALZSQSFIOZJWKS-KOLCDFICSA-N	277.320	1.719	10	20	CDCD	
C[C@H]1COCC[C@@H]1CNC(=O)c1c(F)ccc(O)c1O	295688765	IVNKEVKWAWMNRI-DTWKUNHWSA-N	283.299	1.639	10	20	CDCD	
CC[C@@H](N[C@@H](CO)COC)c1ccc(F)cc1O	290076156	GMOSFRRARKXJMD-CMPLNLGQSA-N	257.305	1.579	10	20	CDCD	
Cc1cc(O)c(CN2CCN(CCO)CC2)cc1C	298591671	IODINTWDLXAPAM-UHFFFAOYSA-N	264.369	1.119	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CC2(CCOC2)C1	294572596	VYSNTPMOEJZSMW-DUXPYHPUSA-N	275.304	1.360	10	20	CDCD	
CN(CCOCCO)Cc1ccc2ccccc2c1O	816599978	GXJYJKYJAGIBTJ-UHFFFAOYSA-N	275.348	1.986	10	20	CDCD	
C[C@H](NC[C@H](N)c1ccc(N(C)C)cc1)c1ccnn1C	817944258	YNQMTKDYVOHDKG-WFASDCNBSA-N	287.411	1.837	10	20	CDCD	
N[C@@H]1CCC[C@@H]1NCc1ccc(N2CCOCC2)cc1	817894913	OWCDFCOVHGJGKK-CVEARBPZSA-N	275.396	1.493	10	20	CDCD	
CN1CCN(c2ccc(CN3CC[C@@H](F)C3)cc2)CC1	824570285	AULFPXXJOBGUOV-OAHLLOKOSA-N	277.387	1.982	10	20	CDCD	
COc1ncc(/C=C\C(=O)N2CCc3ccncc32)cn1	492692469	YVQRJBIYQWFCFW-IHWYPQMZSA-N	282.303	1.483	10	20	CDCD	
O=C(NC[C@@H]1CCN(C2CC2)C1)c1cc(O)cs1	732271530	IXSGDPXPMNOQAF-VIFPVBQESA-N	266.366	1.668	10	20	CDCD	
C[C@@H]([C@H](C)S(C)(=O)=O)N(C)Cc1ccc(N)cc1	1334773922	BAFAFKPRHCYIDQ-QWRGUYRKSA-N	270.398	1.522	10	20	CDCD	
CC(C)c1cc(C(=O)NCc2ccc(O)cc2O)nn1C	910950800	JBSLDHDALYCGME-UHFFFAOYSA-N	289.335	1.885	10	20	CDCD	
COc1cccc([C@@H](C)NCCN2CCO[C@@H](C)C2)c1O	846146615	RHTACKLGGFLRGU-QWHCGFSZSA-N	294.395	1.772	10	20	CDCD	
Cc1ncsc1/C=C1\C(=O)NN(c2ccccc2)C1=O	742434667	MLKIKNPBRPRBRM-YRNVUSSQSA-N	285.328	1.913	10	20	CDCD	
C[C@H](N)C[C@H](C)NCc1ccc(N2CCN(C)CC2)cc1	843129990	WIBRDMHGHYFHOL-GJZGRUSLSA-N	290.455	1.654	10	20	CDCD	
N=C(NCc1cc(Cl)ccc1O)NC[C@H]1CCCO1	849049514	RMXMTFZWWWUYNL-LLVKDONJSA-N	283.759	1.839	10	20	CDCD	
CCCN1CC(=O)N[C@@H]1c1cccc(OC)c1O	840821873	GLOKYDJKDXNKJI-ZDUSSCGKSA-N	250.298	1.241	10	20	CDCD	
C[C@@H]1C[C@@H](N)CCN1Cc1cc2c(cc1O)OCO2	846699517	UCJNJBZCZOAQCY-KOLCDFICSA-N	264.325	1.433	10	20	CDCD	
COc1cccc([C@H](C)NC[C@]2(OC)CCOC2)c1O	846165584	PCCQYPZLFFDQRD-XHDPSFHLSA-N	281.352	1.857	10	20	CDCD	
C[C@@H](NC(=O)NCCc1ccc(N)cc1)C1CCOCC1	841861038	USKXNIXVYLNASK-GFCCVEGCSA-N	291.395	1.926	10	20	CDCD	
C[C@@H](CC(N)=O)N[C@H](C)c1cc(F)cc(F)c1O	756661274	QGMRSQSRROQTLO-NKWVEPMBSA-N	258.268	1.585	10	20	CDCD	
CN(C)c1ccc(CN(C)c2ncnc3c2nnn3C)cc1	853093264	GYAIIHDLLYYGMW-UHFFFAOYSA-N	297.366	1.461	10	20	CDCD	
CN(C)c1cc(COC(=O)c2cccc(O)c2O)ccn1	758561834	NWWZYURVKDMJIF-UHFFFAOYSA-N	288.303	1.916	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2C[C@H](N)C2)c1	852883440	DVYNVRQCMTZNPJ-OPRDCNLKSA-N	264.325	1.315	10	20	CDCD	
COc1cccc(O)c1CNCCCNc1ncccn1	751507693	RZMMIWBCXAKIAS-UHFFFAOYSA-N	288.351	1.783	10	20	CDCD	
CCC[C@@H](CNC(=O)C(=O)Nc1ccc(N)cc1)OCC	861507802	CDVUWMXOGBGGCR-ZDUSSCGKSA-N	293.367	1.529	10	20	CDCD	
O=C(NC1CC1)N[C@@H]1CCN(C(=O)c2cc(O)cs2)C1	761222620	KRTRTLPNMHMQRP-SECBINFHSA-N	295.364	1.130	10	20	CDCD	
CN(C(=O)C1(n2cccn2)CCNCC1)c1ccc(N)cc1	877077706	RPVQTHIPEYXKHI-UHFFFAOYSA-N	299.378	1.207	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCc2nnc(O)cc2C1	776263019	JARSUIMJXHOAQM-UHFFFAOYSA-N	277.305	1.148	10	20	CDCD	
CCO[C@H](CC)C(=O)NCc1ccc(O)c(O)c1	778919946	RBLWVWNWHWPAJB-GFCCVEGCSA-N	253.298	1.529	10	20	CDCD	
COC[C@H]1CCCN1C(=O)/C=C\c1ccc(O)c(O)c1	779527043	BOANXPHZFJGJQR-SMYYYNMVSA-N	277.320	1.748	10	20	CDCD	
C[C@H]1C[C@H](NCCN2CCNC2=O)c2c(O)ccc(F)c21	886745233	RKEXEXHEVXRKAO-ONGXEEELSA-N	293.342	1.694	10	20	CDCD	
COCCn1cc(C(=O)NCc2ccccc2O)c(C)n1	782741394	ZKOMNYUUYOTJQI-UHFFFAOYSA-N	289.335	1.474	10	20	CDCD	
CNC(=O)NC1CCN(Cc2cc(F)cc(F)c2O)CC1	895001633	RZJRIHGKBXSVNM-UHFFFAOYSA-N	299.321	1.564	10	20	CDCD	
Oc1cccc(Br)c1CNCCN1CCC1	706809546	DNMJVQZKJXRORH-UHFFFAOYSA-N	285.185	1.950	10	20	CDCD	
Cc1ccc(C(=O)NCC2([S@@](C)=O)CC2)c(O)c1O	799774823	KRYRMIPERPNUJZ-LJQANCHMSA-N	283.349	1.047	10	20	CDCD	
COc1cc(C)cc(CN2CCC[C@H](O)[C@@H]2C(=O)O)c1O	1607149355	JTOGMAUNVBMXAH-WCQYABFASA-N	295.335	1.119	10	20	CDCD	
CCOc1cccc(CNCC(C)(C)C(=O)NC)c1O	120139316	WONADFSTDCRVKN-UHFFFAOYSA-N	280.368	1.653	10	20	CDCD	
CCN(C)C(=O)CNCc1ccc(N2CCCC2)cc1	229522974	WMJGRDURZUPVGL-UHFFFAOYSA-N	275.396	1.855	10	20	CDCD	
COC(=O)[C@H](NC(=O)Cc1ccc(N)cc1)C(C)C	35345888	DJPZFQLURJZPNP-CYBMUJFWSA-N	264.325	1.125	10	20	CDCD	
C[C@H](NC[C@@H]1CCCO1)c1cccc(-c2nn[nH]n2)c1O	1589965876	RHNOSOBPHTUEEI-UWVGGRQHSA-N	289.339	1.402	10	20	CDCD	
C[C@H](NC[C@@]1(C)CCC(=O)N1)c1cc(C(=O)O)ccc1O	1593246816	CRXAFZKHPHUGRL-BJOHPYRUSA-N	292.335	1.410	10	20	CDCD	
Cc1c(C(=O)O)cc(CNC(=O)c2cc(O)cs2)n1C	1599993240	NKMKFBGZRJVUHT-UHFFFAOYSA-N	294.332	1.729	10	20	CDCD	
CN1CCN(Cc2c(O)cccc2Cl)C[C@H](C(=O)O)C1	1598618547	LEAGHUKDRIFQAL-SNVBAGLBSA-N	298.770	1.494	10	20	CDCD	
CCN1CCc2cc(CNCCCOCC(=O)O)ccc21	1776877275	HORVDXZNEMNKPB-UHFFFAOYSA-N	292.379	1.650	10	20	CDCD	
O=C(CCc1ccccn1)NCCc1ccc(O)c(O)c1	156729604	YMSCMWZAUYIQLH-UHFFFAOYSA-N	286.331	1.784	10	20	CDCD	
COC[C@](C)(CO)NCc1ccc2c(c1)CCCO2	921818501	ORYSVIRTIQTFLC-HNNXBMFYSA-N	265.353	1.499	10	20	CDCD	
C[C@H](CNC(=O)N(C)Cc1ccccc1O)C(=O)O	848587851	YPFNPUWPKGUFHJ-SECBINFHSA-N	266.297	1.254	10	20	CDCD	
Oc1cc2c(cc1CN[C@@H]1CCCCC[C@H]1O)OCO2	135623298	PTJLQWOFUGVPOO-VXGBXAGGSA-N	279.336	1.904	10	20	CDCD	
COCCOCCCNCc1cc(OC)ccc1O	20192987	IRYIJDGCYRDPBU-UHFFFAOYSA-N	269.341	1.544	10	20	CDCD	
COC[C@H](C)N(C)Cc1cc(OC)c(OC)cc1O	179439255	JBXZOCDOHMEUHY-JTQLQIEISA-N	269.341	1.876	10	20	CDCD	
CCOC(=O)c1cnc(SCCS(C)(=O)=O)s1	310130729	YBOFPYATTCVBBE-UHFFFAOYSA-N	295.407	1.457	10	20	CDCD	
CCCN(C)S(=O)(=O)NCc1ccc(N(C)C)cc1	119406729	GQWYNENJMBGIRN-UHFFFAOYSA-N	285.413	1.429	10	20	CDCD	
C[C@H](O)CN[C@H](C)c1ccc(N2CCOCC2)c(F)c1	179582134	RWDISWPSBWUKKG-NWDGAFQWSA-N	282.359	1.694	10	20	CDCD	
COc1cccc(CNC(=O)[C@H](C)SC)c1O	68489067	QDYFMBGNFZGRRF-QMMMGPOBSA-N	255.339	1.769	10	20	CDCD	
Cc1ccc(C(=O)N2CC[C@H]3CC[C@H](C2)N3C)c(O)c1O	179531188	HRCQJTGAVACQKE-VXGBXAGGSA-N	290.363	1.715	10	20	CDCD	
CC[C@@H](CO)NCc1ccc(N2CCOCC2)c(F)c1	66969674	YCPTXLHQLKCEIA-ZDUSSCGKSA-N	282.359	1.523	10	20	CDCD	
Cn1cccc(NC(=O)/C=C/c2ccc(O)c(O)c2)c1=O	180774525	PUBFZRKWMFDGOB-FNORWQNLSA-N	286.287	1.448	10	20	CDCD	
CS(=O)(=O)C[C@@H]1CCN(Cc2ccccc2O)C1	368352075	NZXLNCLZQYEXGR-LLVKDONJSA-N	269.366	1.259	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)Nc1ncnc2c1cnn2C	184147753	BQFALVYYTWNFHR-SECBINFHSA-N	299.334	1.818	10	20	CDCD	
CCCCNC(=O)CN[C@H](C)c1cc(OC)ccc1O	182360280	DZLRPBLOIJSUKR-LLVKDONJSA-N	280.368	1.968	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)C2(O)CCC2)c1	184979937	XLTZCACSLLWJAI-VIFPVBQESA-N	265.309	1.493	10	20	CDCD	
CC(C)OCCC(=O)NCc1ccc(O)c(O)c1	182549418	ZRMXBOCGVDNENZ-UHFFFAOYSA-N	253.298	1.529	10	20	CDCD	
COc1cc(Cl)cc(CN[C@@H](C)CCO)c1O	228674918	PGYNXPXPSSIRSR-QMMMGPOBSA-N	259.733	1.915	10	20	CDCD	
COc1cc(Cl)cc(CNCC2(CO)CC2)c1O	228675884	QFWLJBONZZJFFR-UHFFFAOYSA-N	271.744	1.916	10	20	CDCD	
COc1cccc(CN(C)CCNC(=O)C(C)C)c1O	92104248	CFQZKHCBGXXDFQ-UHFFFAOYSA-N	280.368	1.605	10	20	CDCD	
COc1cccc(CN2CCC(N(C)C(C)=O)CC2)c1O	92538651	QLABUQLGSSPOLI-UHFFFAOYSA-N	292.379	1.844	10	20	CDCD	
COc1cccc(CNCC[C@@H](C)CCO)c1O	295112553	LWWFDCSEXPUOLU-LLVKDONJSA-N	253.342	1.899	10	20	CDCD	
CCN(C)C[C@@H]1CCN(C(=O)c2c(F)ccc(O)c2O)C1	276554935	ILLNPBQFWHMHDY-JTQLQIEISA-N	296.342	1.651	10	20	CDCD	
CC[C@H]1CN(C(=O)c2c(F)ccc(O)c2O)CCO1	276464043	CDWMQOBWBRWAFY-QMMMGPOBSA-N	269.272	1.488	10	20	CDCD	
COc1ccc(O)c(CN[C@@H]2CCC(=O)NC23CCC3)c1	282969300	INATZLKAVGKRFX-CQSZACIVSA-N	290.363	1.692	10	20	CDCD	
COc1ccc(O)c(CN2CCOC[C@H]2[C@@H]2CCCO2)c1	377689466	BUBWOXREFUCOIJ-HOCLYGCPSA-N	293.363	1.781	10	20	CDCD	
COCC[C@H](CO)N[C@@H](C)c1ccc(C)cc1O	281521607	HSYNYGMXYILUEQ-NWDGAFQWSA-N	253.342	1.749	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CC[C@H](O)C12CCCC2	294132070	KXYRCWBOMZNTER-LBPRGKRZSA-N	277.320	1.617	10	20	CDCD	
CN(C)c1ccc(CNC(=O)Nc2cnnn2C)cc1F	809903260	FTUIKWSLFDOGFO-UHFFFAOYSA-N	292.318	1.342	10	20	CDCD	
CC[C@@H](CS(=O)(=O)N(C)Cc1ccccc1O)OC	817135568	XJWNEMNPTRJYLG-LBPRGKRZSA-N	287.381	1.579	10	20	CDCD	
C[C@H](N)C[C@H](C)NC[C@H](N)c1ccc(N(C)C)cc1	817940296	FVLKVLKKTMUXPJ-HUBLWGQQSA-N	264.417	1.468	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN[C@H](C)C[C@H]1COCCN1	817894701	PZDYOFWXVMGWPG-ZBFHGGJFSA-N	291.439	1.918	10	20	CDCD	
C[C@H](Cc1cnccn1)NCc1cc2c(cc1O)OCO2	725849693	UZHYUDCHJPUCKE-SNVBAGLBSA-N	287.319	1.632	10	20	CDCD	
CC(C)c1nccn1CCNC(=O)Cc1ccc(N)cc1	828965993	UEFKZAZVNQAVRX-UHFFFAOYSA-N	286.379	1.948	10	20	CDCD	
Cc1cc(O)c(CNC[C@@H](C)S(C)(=O)=O)cc1Cl	825385214	VPITVHRFDUKKPD-SECBINFHSA-N	291.800	1.877	10	20	CDCD	
O=C(NCc1ccccc1O)c1cc([C@H]2CCNC2)[nH]n1	828015224	BBDZKLUURBWHKI-JTQLQIEISA-N	286.335	1.122	10	20	CDCD	
Cn1cnc(/C=C/C(=O)N2C[C@H](CO)c3ccccc32)c1	820527857	XXZLFLRNDKGJGM-NNNHXZLVSA-N	283.331	1.556	10	20	CDCD	
O=C(NC[C@H]1CN2CCC[C@H]2CO1)c1cc(O)cs1	731878856	OHORBSRHMORCDO-ONGXEEELSA-N	282.365	1.047	10	20	CDCD	
O=C1OCCN1[C@H]1CCN(Cc2ccccc2O)C1	826995289	SQSICQAFPRJMDM-LBPRGKRZSA-N	262.309	1.419	10	20	CDCD	
COc1cccc(CNC(=O)[C@H](NC(=O)O)C(C)C)c1O	738096738	JJQCQOHJNCKDPA-LLVKDONJSA-N	296.323	1.309	10	20	CDCD	
Cn1cnc(NC(=O)NCc2ccc(N3CC=CC3)cc2)n1	836663516	JRPKICYKUVPELU-UHFFFAOYSA-N	298.350	1.513	10	20	CDCD	
C[C@]1(CNCc2c(O)ccc(Cl)c2F)CCC(=O)N1	835060778	NHOMCQABZIYRDR-CYBMUJFWSA-N	286.734	1.943	10	20	CDCD	
C[C@@]1(CNCc2cc([N+](=O)[O-])ccc2O)CCC(=O)N1	835062022	XEOPRQKVEGJDNI-ZDUSSCGKSA-N	279.296	1.059	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](CO)CCF	844987873	DXAPVDOXMCVJMQ-ZDUSSCGKSA-N	297.374	1.581	10	20	CDCD	
CN1CCCc2cc(CNC(=O)NCC(C)(C)N)ccc21	841760879	ZAZNUSCMWUFTIS-UHFFFAOYSA-N	290.411	1.606	10	20	CDCD	
COC[C@H](NC(=O)NCCc1ccc(N)cc1)C(C)C	841835392	CQMKJXNBJORTLY-AWEZNQCLSA-N	279.384	1.782	10	20	CDCD	
CNC[C@@H]1C[C@H](F)CN1Cc1cc(F)ccc1O	843121327	DJAKLUHBHXJRLD-RYUDHWBXSA-N	256.296	1.663	10	20	CDCD	
Nc1ccc(CC(=O)NCCOCC2CCC2)cc1	843506913	KRCXBWQHUGIPLS-UHFFFAOYSA-N	262.353	1.744	10	20	CDCD	
CCOc1ccc(O)c(CN[C@@H]2COC[C@H]2C)c1	922641590	PCHRTVNFHYWRII-ZWNOBZJWSA-N	251.326	1.915	10	20	CDCD	
CNC[C@H](C)NC(=O)NCc1ccc(N2CC=CC2)cc1	851656534	MOAJSMYEOQMWDS-ZDUSSCGKSA-N	288.395	1.470	10	20	CDCD	
C[C@@H]1[C@@H](N(C)C)CCN1C(=O)c1c(F)ccc(O)c1O	857270064	NCEOOURYDHOLEM-SCZZXKLOSA-N	282.315	1.402	10	20	CDCD	
CC(=O)N1CCC(COC(=O)c2cccc(O)c2O)CC1	758557671	CGUWZLSKLVFPKB-UHFFFAOYSA-N	293.319	1.513	10	20	CDCD	
Cc1cc(C)c(O)c(CN2CC(OCC(=O)N(C)C)C2)c1	754737370	RUXKEZBHEQPVAM-UHFFFAOYSA-N	292.379	1.298	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C[C@@H]1CCC(=O)O1	851881406	LFKBJDYRNNAIIS-LBPRGKRZSA-N	276.336	1.657	10	20	CDCD	
CC[C@H](CO)NCc1cc(F)cc(C(C)=O)c1O	931768911	VQLSEHIXKMIXEV-LLVKDONJSA-N	255.289	1.594	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1c[nH]nc1C	935947403	XJBSQGSRTSFIGJ-UHFFFAOYSA-N	280.324	1.839	10	20	CDCD	
C[C@H]1CCN(C(=O)c2cc(O)cs2)C[C@H]1CO	857365030	MWEXHRUPXNZBOM-IUCAKERBSA-N	255.339	1.544	10	20	CDCD	
CNC(=O)[C@@H]1CCC[C@@H]1NCc1cc(C)ccc1O	765798041	UKVWZQSVAHZLRZ-OLZOCXBDSA-N	262.353	1.705	10	20	CDCD	
C[C@H](NC(=O)[C@@H]1CCCNC1=O)c1ccc(N(C)C)cc1	867502950	FZADQOSBXNODRK-SMDDNHRTSA-N	289.379	1.456	10	20	CDCD	
CCN1CC(CNC(=O)c2ccc(N=NC(N)=O)cc2)C1	1032216199	ZNLOFZWMOCOAHW-UHFFFAOYSA-N	289.339	1.531	10	20	CDCD	
CC[C@]1(O)CCCN(C(=O)/C=C\c2ccc(O)c(O)c2)C1	870680809	NDZMTHMHMQOIGS-WRLNGNIRSA-N	291.347	1.875	10	20	CDCD	
CS(=O)(=O)c1ccc(/C=C2\SC(=O)NC2=O)cc1	874927594	KCHHWWGHKZWJCN-TWGQIWQCSA-N	283.330	1.414	10	20	CDCD	
CC(C)CN(C)S(=O)(=O)N(C)Cc1ccccc1O	778004459	BQUXFHDYXGUMJI-UHFFFAOYSA-N	286.397	1.657	10	20	CDCD	
COc1cccc(CNc2cncc(-n3cccn3)n2)c1O	774525027	XCSDICCWXLFOOX-UHFFFAOYSA-N	297.318	1.989	10	20	CDCD	
CC[C@]1(O)CCN(Cc2c(O)cccc2OC)C1	779218552	GTRBAELMAYVVAJ-AWEZNQCLSA-N	251.326	1.748	10	20	CDCD	
COc1cccc(CN2CCC[C@H]2CCO)c1O	779201649	FOJVBLVRXGVSQZ-LBPRGKRZSA-N	251.326	1.748	10	20	CDCD	
C[C@H](OC(=O)c1cccc(O)c1O)C(=O)NC1CCCC1	776281746	JOTCUVHWCAPDOH-VIFPVBQESA-N	293.319	1.702	10	20	CDCD	
CN(C)c1ccc(CN2CCC3(CC2)CNC(=O)O3)cc1	783722416	COJCPVUGKBZRTN-UHFFFAOYSA-N	289.379	1.827	10	20	CDCD	
O=C(COC(=O)C1(O)CCCC1)c1ccc(O)c(O)c1	782856140	FGRJOCGJJQKEHH-UHFFFAOYSA-N	280.276	1.129	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)Cc1nncn1C	269448010	FYSWNFTWMKEWCT-UHFFFAOYSA-N	259.357	1.513	10	20	CDCD	
Nc1ccc(CCNC(=O)N2C[C@H]3COC[C@H]3C2)cc1	892038202	BFLBRHBFQBFPCX-BETUJISGSA-N	275.352	1.099	10	20	CDCD	
COc1ccc(O)c(CN2CCC[C@@H]([C@H](C)O)C2)c1	780893766	ZWEJMAOHVJPHPI-NWDGAFQWSA-N	265.353	1.994	10	20	CDCD	
Cn1cnc(S(=O)(=O)Nc2ccc(O)c(Cl)c2)c1	85204618	HVIMGLUCEDJAJY-UHFFFAOYSA-N	287.728	1.580	10	20	CDCD	
COc1cc(C)cc(CN[C@H]2CCCCNC2=O)c1O	894170623	WWSQSHQCVSDUFL-LBPRGKRZSA-N	278.352	1.468	10	20	CDCD	
OC[C@H](Oc1ccccc1O)[C@H](O)c1ccc(O)c(O)c1	91691836	DOHRKVZLQIYIMC-LSDHHAIUSA-N	292.287	1.277	10	20	CDCD	
COc1cc(C)cc(CN(C)C[C@@H](O)C2CC2)c1O	894776522	HAMMPNHCSNJVLK-CYBMUJFWSA-N	265.353	1.912	10	20	CDCD	
COc1ccc(CNC(=O)NCc2cc(C)[nH]n2)c(O)c1	792952675	JHSPUQUKBCHGNU-UHFFFAOYSA-N	290.323	1.432	10	20	CDCD	
CCc1cccc(CN(CC)[C@H]2CCS(=O)(=O)C2)c1O	692108763	IVUQARDBELSDIL-AWEZNQCLSA-N	297.420	1.964	10	20	CDCD	
COc1ccc(CNC(=O)[C@H](O)C2CCCCC2)c(O)c1	794377448	ILNFJTAGFIXBRX-OAHLLOKOSA-N	293.363	1.958	10	20	CDCD	
O=C(OC[C@@H]1CCCS(=O)(=O)C1)c1cc(O)cs1	791885718	OKDPNTXMTSDQSD-QMMMGPOBSA-N	290.362	1.435	10	20	CDCD	
Cc1cccnc1N(C)C(=O)/C=C\c1cnn(C)c1	791893057	JBYSTFFOYUOKPS-SREVYHEPSA-N	256.309	1.800	10	20	CDCD	
CC[C@H](NCc1cccc(Cl)c1O)C(=O)NC	697823475	IJHGVNXWFMOUSO-JTQLQIEISA-N	256.733	1.660	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NC(C)(C)C(=O)O)cc1	780351226	VLDXKDKGAAXWNF-UHFFFAOYSA-N	279.340	1.415	10	20	CDCD	
COc1cccc(O)c1CNCCOCC(F)F	788077651	PHFQERKOIYBLGA-UHFFFAOYSA-N	261.268	1.772	10	20	CDCD	
CCc1cnc(CC(=O)NCc2cccc(O)c2O)[nH]1	1348045984	GAHGPSOASNZWIO-UHFFFAOYSA-N	275.308	1.242	10	20	CDCD	
COc1cccc(O)c1CN1CCC[C@H]1CC(=O)O	1599680598	ZKGOKYGYZYLFOQ-JTQLQIEISA-N	265.309	1.840	10	20	CDCD	
Cn1cnc(/C=C\C(=O)N2C[C@@H](CCN)c3ccccc32)c1	1263173487	CGLDVZOOUVGBES-FMFIFOJESA-N	296.374	1.913	10	20	CDCD	
Nc1ccc(CN2C[C@@H](C(=O)O)[C@H](C3CC3)C2)cc1	1262488260	WILRYQMZRWPKBU-UONOGXRCSA-N	260.337	1.811	10	20	CDCD	
C[C@H]1C(=O)CC[C@H]1CC(=O)NCc1cccc(O)c1O	1348046010	GQIHTEJIRDUEBD-ZJUUUORDSA-N	277.320	1.719	10	20	CDCD	
CC(C)n1cc(C(=O)NCc2ccc(N)cc2)cn1	1524008809	KKFXEAOXUGCSSB-UHFFFAOYSA-N	258.325	1.976	10	20	CDCD	
O=C(NCc1c(O)cccc1O)c1ccc(C(=O)O)nc1	1574573847	GWQUJPFLTROAQQ-UHFFFAOYSA-N	288.259	1.121	10	20	CDCD	
CC(C)(O)[C@H]1CCCN(C(=O)NCc2ccc(N)cc2)C1	1575378900	UOKTZQJLWNEOSF-ZDUSSCGKSA-N	291.395	1.961	10	20	CDCD	
Nc1ccc(CNC(=O)c2cnc3[nH]cnc3c2)cc1	1580445821	XUZOCBAMLSBQPP-UHFFFAOYSA-N	267.292	1.470	10	20	CDCD	
O=C(N[C@H](Cc1ccncc1)C(=O)O)c1cc(O)cs1	1594717909	CGAIJOQOMLILSS-SNVBAGLBSA-N	292.316	1.274	10	20	CDCD	
COc1ccc(O)c(CNC(=O)CCn2cccn2)c1	155939411	XNJQMRARQQNHKC-UHFFFAOYSA-N	275.308	1.304	10	20	CDCD	
C[C@H]1CN2CCC[C@H]2CN1C(=O)Cc1ccc(N)cc1	251825876	PFTWSXAKJXMKFB-WFASDCNBSA-N	273.380	1.506	10	20	CDCD	
Nc1ccc(CC(=O)N2CC[C@]3(CCOC3)C2)cc1	162124414	UVFJKVOQDZHZPI-HNNXBMFYSA-N	260.337	1.450	10	20	CDCD	
C[C@@H]1COCCN(C(=O)c2cccc(O)c2O)C1	365757967	LMEIPXCRLMZKGO-VIFPVBQESA-N	251.282	1.206	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2C[C@H](O)C[C@@H]2C)c1O	384999775	IXSMPHHVMVOUGD-QPUJVOFHSA-N	267.300	1.689	10	20	CDCD	
CCN1C[C@H](NCc2cc(F)ccc2O)CC1=O	391601849	JZIDJKZCSZKRHZ-LLVKDONJSA-N	252.289	1.242	10	20	CDCD	
COc1cccc(CN[C@@H](C)c2ncn(C)n2)c1O	391810864	NQTNYLYSGZGZHW-VIFPVBQESA-N	262.313	1.380	10	20	CDCD	
CO[C@@H](C)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	117974790	AEOPNGJUVHHIQP-GXTWGEPZSA-N	293.363	1.935	10	20	CDCD	
C[C@@H](NCCCS(C)(=O)=O)c1ccc(F)cc1O	62747883	BCGDSAVYDHHYAL-SECBINFHSA-N	275.345	1.617	10	20	CDCD	
Cc1nc(C(=O)NCc2ccc(N(C)C)cc2C)no1	123715614	GVDWCNZMKKLGAC-UHFFFAOYSA-N	274.324	1.682	10	20	CDCD	
COCc1nc(CN[C@H](C)c2cc(OC)ccc2O)no1	182802897	HYRJRESFBLRXQQ-SECBINFHSA-N	293.323	1.781	10	20	CDCD	
COc1cccc(CNC(=O)[C@H](O)c2ccccc2)c1O	122621323	CJGOGMJRBJXWDM-OAHLLOKOSA-N	287.315	1.751	10	20	CDCD	
CN(CC(=O)NCC1CCC1)c1ccc2c(c1)OCO2	121423283	BXYYRYNTOKMUIX-UHFFFAOYSA-N	276.336	1.768	10	20	CDCD	
COc1ccc(O)c(CN[C@H]2C[C@@H](O)C2(C)C)c1	129639866	HCCBTFYDJBENHY-QWHCGFSZSA-N	251.326	1.650	10	20	CDCD	
O=C(NC[C@@H]1CCSC1)c1cccc(O)c1O	228578612	FUZXWUSEHVJNST-QMMMGPOBSA-N	253.323	1.581	10	20	CDCD	
CN1CCCc2cc(CNC(=O)C(F)F)ccc21	194472286	CKWOVSAVAAFJQJ-UHFFFAOYSA-N	254.280	1.950	10	20	CDCD	
COc1cccc(CN2CCCC[C@H]2C(=O)O)c1O	86729549	RWFRRVFDMCMUNF-NSHDSACASA-N	265.309	1.840	10	20	CDCD	
Cc1noc(C)c1CNC(=O)Cc1ccc(N)cc1	92324384	CDRZLHZSELXQLU-UHFFFAOYSA-N	259.309	1.733	10	20	CDCD	
CC(C)(C)N1C[C@@H](C(=O)Nc2ccc(N)cc2)CC1=O	242940611	HBGCEOZVRGPGTR-JTQLQIEISA-N	275.352	1.854	10	20	CDCD	
COc1ccc(N(C)CCN2CCOCC2)cc1F	268210124	TZSWLEFZOUEHHQ-UHFFFAOYSA-N	268.332	1.603	10	20	CDCD	
CCOc1ccc(O)c(CNC[C@H](O)C2CC2)c1	265289646	ZAWRDGVGWQGWHQ-AWEZNQCLSA-N	251.326	1.651	10	20	CDCD	
Cc1ccc(C(=O)NC[C@](C)(O)C(F)(F)F)c(O)c1O	272945576	HQQJMPUAMDGURA-NSHDSACASA-N	293.241	1.449	10	20	CDCD	
CN1CCCc2cc(CNC(=O)[C@@H]3C[C@]34CCNC4)ccc21	372449187	YECCAPQAUZDIOE-YJBOKZPZSA-N	299.418	1.685	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)NC	279243315	KKQKSFCVEBAQHM-UHFFFAOYSA-N	271.386	1.039	10	20	CDCD	
CN(C)c1ccc(CN2CCC[C@@H](S(N)(=O)=O)C2)cc1	377027781	IVDKFQRLONZJBJ-CQSZACIVSA-N	297.424	1.006	10	20	CDCD	
COc1cccc(CN2CCN(C[C@H](C)O)C[C@@H]2C)c1O	284289255	IAAFJMHTLGAMLJ-STQMWFEESA-N	294.395	1.288	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CCn2ccnn2)cc1	298193022	QNKLGJJIWVKZPJ-UHFFFAOYSA-N	273.340	1.051	10	20	CDCD	
COc1cccc(O)c1CN(C)CCN(C)C1CC1	809754189	FIVGYUAKJGPVIF-UHFFFAOYSA-N	264.369	1.927	10	20	CDCD	
O=C(NC1CC(F)(F)C1)c1c(F)ccc(O)c1O	296998887	ZUOPMJFISDTVFA-UHFFFAOYSA-N	261.199	1.764	10	20	CDCD	
OCCCN1CCC[C@H](N[C@@H]2CCc3cccc(O)c32)C1	297193905	FOZHBGDDIRMHIB-LSDHHAIUSA-N	290.407	1.816	10	20	CDCD	
CCN(C(=O)/C=C/c1ccc(O)c(O)c1)[C@@H](C)CO	818633618	DXPXWYVCMCRNPM-STUBTGCMSA-N	265.309	1.340	10	20	CDCD	
C[C@H]1C[C@H](CO)CN(C(=O)c2cc(O)cs2)C1	817766818	RVVPTOFAVVGKEU-IUCAKERBSA-N	255.339	1.544	10	20	CDCD	
COc1ccc(O)c([C@H](C)N[C@H](CN)C2CC2)c1	817960403	MUSNBVPGYOBWCC-TVQRCGJNSA-N	250.342	1.789	10	20	CDCD	
O=C(O)C1(C(=O)NCc2c(O)ccc3c2CCCC3)CC1	836727933	GXVPLXYGBBTYAX-UHFFFAOYSA-N	289.331	1.752	10	20	CDCD	
C[C@H](NC(=O)[C@H]1CCNC1=O)c1ccc(N(C)C)cc1	832430521	FXHLQXDYMAKUFF-GWCFXTLKSA-N	275.352	1.066	10	20	CDCD	
CC[C@H](C)N1CCN(C(=O)c2c(F)ccc(O)c2O)CC1	839787625	QBZIDXMFMJKCKS-JTQLQIEISA-N	296.342	1.793	10	20	CDCD	
C[C@@H](NC[C@]1(C)CCC(=O)N1)c1cc([N+](=O)[O-])ccc1O	834910751	ZCIUAZKIMQGCGI-OTYXRUKQSA-N	293.323	1.620	10	20	CDCD	
CC1(C)COC(=O)[C@H]1NC(=O)/C=C/c1ccc(O)c(O)c1	837639587	YTTITCMHOMFJOJ-DIECRNLCSA-N	291.303	1.179	10	20	CDCD	
COc1cccc(CNC[C@H](C(=O)O)C(C)C)c1O	848639324	HOAXHSJLEKQGAO-NSHDSACASA-N	267.325	1.847	10	20	CDCD	
Cn1nc(C2CC2)nc1CC(=O)Nc1ccc(N)cc1	843294662	ZIURBOXLSOARRP-UHFFFAOYSA-N	271.324	1.456	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H]2CCNC2(C)C)c1O	841088355	ZHORWFMJICOOFC-LLVKDONJSA-N	295.339	1.539	10	20	CDCD	
CCOc1cccc(CNC[C@@H](N)C(C)C)c1O	841028883	JVINXUDZLKSKAH-GFCCVEGCSA-N	252.358	1.864	10	20	CDCD	
COc1ccc(N(C)CCN(C)CCOCCO)cc1	844400499	CSGQPHHEPIIPQM-UHFFFAOYSA-N	282.384	1.072	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)[C@H]1CCc2ncncc2C1	910943813	IBDPGEWZOIUDEQ-JTQLQIEISA-N	299.330	1.309	10	20	CDCD	
CN(C)c1ccc(CNC[C@H]2CCCNC2)cc1F	841033361	RUAPNKNXOHDCKA-ZDUSSCGKSA-N	265.376	1.981	10	20	CDCD	
CN1CCCc2cc(CNc3nccn4nnnc34)ccc21	749148070	SQHQNOGILMTTRZ-UHFFFAOYSA-N	295.350	1.514	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)O[C@H]2CCOC2)c1	914153818	LPVIBBJKLCMIKH-ONGXEEELSA-N	281.308	1.977	10	20	CDCD	
COC(=O)[C@@H]1CN(Cc2cccc(OC)c2O)C[C@H](C)O1	846059300	ASDDSAWKBJHRPW-GWCFXTLKSA-N	295.335	1.163	10	20	CDCD	
COc1ccc(N(C)CC(=O)NC(=O)NC(C)(C)C)cc1	844352850	AHHMLENTRJHECY-UHFFFAOYSA-N	293.367	1.756	10	20	CDCD	
COc1cc(O)c(CN2[C@@H](C)CNC[C@H]2C)cc1OC	843066509	XXBAJTQDSBCBAN-PHIMTYICSA-N	280.368	1.592	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CC[C@@H](N)[C@H](C)C2)c1O	843353601	LSBZDDDXXVZQCL-YMTOWFKASA-N	280.343	1.903	10	20	CDCD	
C[C@@H](CCCCN)NC(=O)NCCc1ccc(N)cc1	841955420	BMOWOFVVINRZIM-LBPRGKRZSA-N	278.400	1.628	10	20	CDCD	
CN1CCN=C1NCc1ccc2c(c1)CCCN2C	848998954	LKMJVFMFPZLSFO-UHFFFAOYSA-N	258.369	1.460	10	20	CDCD	
COc1cccc([C@@H](C)N[C@H]2C[C@H](CO)C2)c1O	927144359	KMZMCAVYXPGONC-GMTAPVOTSA-N	251.326	1.822	10	20	CDCD	
CON(C)C(=O)[C@@H](C)NCc1c(O)ccc(Cl)c1F	858322709	GJSZGKCMPPVVOK-SSDOTTSWSA-N	290.722	1.683	10	20	CDCD	
CCN(CC)c1ccc(CN(C)C[C@@H](O)[C@H](C)O)cc1	929185739	YEOXZYPRYBLPHX-XJKSGUPXSA-N	280.412	1.706	10	20	CDCD	
CC[C@H](CN1CCOCC1)NCc1c(O)cccc1OC	922590356	RLPNTBFIELTGJB-CYBMUJFWSA-N	294.395	1.601	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H](CCO)C(F)(F)F)c(O)c1O	854617393	JDTWVXYQEWXTQD-QMMMGPOBSA-N	293.241	1.449	10	20	CDCD	
CC(C)NC(=O)CNC(=O)N[C@H](C)c1ccccc1O	867986393	ATPLFBZGBWRCNE-SNVBAGLBSA-N	279.340	1.277	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@@H](C)[C@@H](C)S(C)(=O)=O)c1	862757171	JXJMRPXYFHJZML-WDEREUQCSA-N	299.392	1.386	10	20	CDCD	
C[C@@H](NC(=O)c1cn[nH]c1)c1ccc(N(C)C)cc1	775410780	MLVVQPWBGRYWQO-SNVBAGLBSA-N	258.325	1.967	10	20	CDCD	
O=C(NCc1ccccc1O)NC[C@@H]1CCC=CO1	780362203	DKNCVIMNSCWWSC-LBPRGKRZSA-N	262.309	1.884	10	20	CDCD	
O=C(NCc1ccc(N2CCCC2)cc1)N1CC[C@@H]1CO	892004983	OHKBGRFVHVZQBI-OAHLLOKOSA-N	289.379	1.563	10	20	CDCD	
COc1cc(C)cc(CNCCN2CCCOCC2)c1O	894777851	SZXQTGSHRJYSSJ-UHFFFAOYSA-N	294.395	1.521	10	20	CDCD	
O[C@@H](CCNCc1ccc(N2CCOCC2)cc1)C1CC1	898206882	XWOBOLOCOUIRAV-KRWDZBQOSA-N	290.407	1.774	10	20	CDCD	
C[C@@H](O)[C@@H]1CCN(Cc2cc(F)cc(F)c2O)C1	894430453	FYUIBKLRNKWICK-RKDXNWHRSA-N	257.280	1.873	10	20	CDCD	
COCCN(C)CCN[C@H](C)c1cc(OC)ccc1O	61375293	GLLJJOHUPKNUFQ-GFCCVEGCSA-N	282.384	1.630	10	20	CDCD	
COc1cccc(O)c1CNC[C@@](C)(O)C(F)(F)F	760452624	ZLIYDLUUKVYVAJ-LLVKDONJSA-N	279.258	1.804	10	20	CDCD	
N[C@@H]1CC=C(C(=O)N2CCc3ccc(C(=O)O)cc32)C1	695720743	NVOYELCFXODECL-GFCCVEGCSA-N	272.304	1.321	10	20	CDCD	
CN(C(=O)NCc1ccc(N)cc1)[C@@H]1CCSC1	1337018729	MKKZSVIRUWGBJC-GFCCVEGCSA-N	265.382	1.916	10	20	CDCD	
CC[C@H]1CN(C(=O)NCc2ccc(N)cc2)CC[C@H]1N	1262603846	XCUCKBQIJGLVFR-GXTWGEPZSA-N	276.384	1.538	10	20	CDCD	
Cc1ccn(C[C@H](C)C(=O)NCc2cccc(O)c2O)n1	1350299951	LTTFFYGMKAESBS-JTQLQIEISA-N	289.335	1.555	10	20	CDCD	
Nc1ccc(CNC(=O)NCC[C@H]2CCNC2)cc1	1353416679	QZKOFTQDUPCBEG-GFCCVEGCSA-N	262.357	1.068	10	20	CDCD	
CCN(CC(OC)OC)C(=O)/C=C/c1ccc(O)c(O)c1	1521902145	GUWQRIMMLGNRJO-SOFGYWHQSA-N	295.335	1.578	10	20	CDCD	
Cc1ccc(C(=O)N(C)C(C)(C)C(=O)O)c(O)c1O	1610483110	HNVFZGNSGGMVSE-UHFFFAOYSA-N	267.281	1.341	10	20	CDCD	
C[C@H](NC(=O)[C@H]1C[C@@H](N)C1)c1ccc(N(C)C)cc1	1573569275	SXIGGSREJKPENE-WCFLWFBJSA-N	261.369	1.667	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2c(N)cnn2C)c1	1579230654	UVKGLFYJEHWREC-MRVPVSSYSA-N	290.323	1.208	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2cccc(C(=O)O)n2)cc1	1598320738	PQYNQIHNJWTYLV-UHFFFAOYSA-N	299.330	1.776	10	20	CDCD	
CCCCC[C@H](NC(=O)Cc1ccc(N)cc1)C(=O)O	1595672268	HOUYOKODLPNWRZ-ZDUSSCGKSA-N	278.352	1.961	10	20	CDCD	
CCC[C@@H](NCc1ccc(N2CC[C@H](O)C2)cc1)C(=O)O	1776760170	NCMLLXZEZBNVHH-LSDHHAIUSA-N	292.379	1.601	10	20	CDCD	
Cc1nn(C)cc1CNCc1ccc(C(=O)O)cc1O	1777553163	UKZHTEOSSRMULW-UHFFFAOYSA-N	275.308	1.422	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)Nc1cccn(C)c1=O	157583545	TWNTWNZGJIUKPJ-UHFFFAOYSA-N	287.319	1.755	10	20	CDCD	
CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)Cc1ccc(N)cc1	159540503	CRWQJEYYLGSQDS-CFVMTHIKSA-N	274.364	1.741	10	20	CDCD	
C[C@H](NCc1cnnn1C)c1ccc(N(C)C)cc1	274807143	PQHMFGZALPAPBT-NSHDSACASA-N	259.357	1.732	10	20	CDCD	
COc1cccc(CN2CCS(=O)(=O)C[C@@H]2C)c1O	179773953	KQGIPARBVZRBCN-JTQLQIEISA-N	285.365	1.020	10	20	CDCD	
Oc1ccc(F)cc1CNC[C@@]1(O)CCSC1	180829481	LTUUVDDESXPPSX-LBPRGKRZSA-N	257.330	1.489	10	20	CDCD	
C[C@H](N[C@H]1CCN(S(C)(=O)=O)C1)c1ccccc1O	400271322	MSKFPYVCMZZENV-QWRGUYRKSA-N	284.381	1.077	10	20	CDCD	
CC[C@@H](O)CCCNC(=O)Cc1ccc(N)cc1	398627620	ZZCOEUBXRSKEKN-CYBMUJFWSA-N	250.342	1.479	10	20	CDCD	
COc1cccc(CNC(=O)C2=CCCCO2)c1O	178713711	LSHXEMRKZVGSIW-UHFFFAOYSA-N	263.293	1.711	10	20	CDCD	
O=C(NCCCSc1nccs1)N[C@H]1CCOC1	179081237	RUQJGDLCYAKNCX-VIFPVBQESA-N	287.410	1.713	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N(C)CC[C@@H](C)O	305148072	YYVJUMPOOBFKLF-CYBMUJFWSA-N	293.411	1.973	10	20	CDCD	
COC(=O)[C@@H]1CC[C@H](NCc2cc3c(cc2O)OCO3)C1	1352087433	SOMYERDYJDSOGS-KOLCDFICSA-N	293.319	1.552	10	20	CDCD	
COc1ccc(O)c(CN2CCC[C@H](CO)C2)c1	305770454	JSUNXDCLTRZKEW-NSHDSACASA-N	251.326	1.605	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CCN(C)CC2)c1O	37322576	LFMQWKDARROIRL-UHFFFAOYSA-N	266.316	1.481	10	20	CDCD	
COc1cc(O)c(CN2CCC[C@H](C(N)=O)C2)cc1OC	183374632	NSOCVCBWXRFKIO-JTQLQIEISA-N	294.351	1.107	10	20	CDCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CCCN	40855885	MOBKLSNHISQIRP-UHFFFAOYSA-N	291.395	1.221	10	20	CDCD	
Cc1nccn1CCCCNC(=O)Cc1ccc(N)cc1	237623960	XPXHQJICBORTNL-UHFFFAOYSA-N	286.379	1.913	10	20	CDCD	
Cc1ccc(O)c(CN(C)[C@@H](C)CN2CCOCC2)c1	279510998	XGUCRTMVUZFBTO-AWEZNQCLSA-N	278.396	1.853	10	20	CDCD	
COC[C@]1(C)NC(=O)N(Cc2ccc(N(C)C)cc2)C1=O	277336453	LEGKYKZRLSNVOI-HNNXBMFYSA-N	291.351	1.210	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCCC(=O)N1	270325545	WFVYIKCSMSPOBG-CQSZACIVSA-N	289.379	1.380	10	20	CDCD	
COc1cc(O)c(CNCC[C@H](C)OC)cc1OC	271895507	UAFPCPPVZYFXQX-JTQLQIEISA-N	269.341	1.924	10	20	CDCD	
CCN1CCN(Cc2ccc(N(C)C)c(F)c2)CC1=O	273376023	GAGDQXCJWWWOQU-UHFFFAOYSA-N	279.359	1.556	10	20	CDCD	
C[C@H]1C[C@H](N2CCOCC2)CN1Cc1cc(F)ccc1O	289550435	IMSLIXNICDAQQZ-WFASDCNBSA-N	294.370	1.826	10	20	CDCD	
CC[C@H](N[C@H](CO)CCOC)c1ccccc1O	281711808	UAZLHSFMKHKGLD-AAEUAGOBSA-N	253.342	1.830	10	20	CDCD	
CO[C@@H]1CCOC[C@H]1NCc1ccc(N(C)C)cc1	724874013	SLTKYWPSZCECMV-HUUCEWRRSA-N	264.369	1.646	10	20	CDCD	
COc1ccc(N2CCN(CC[C@@H](C)O)CC2)cc1F	828031931	REEVFJSMEYVROJ-GFCCVEGCSA-N	282.359	1.727	10	20	CDCD	
CN1C(=O)NCC12CCN(Cc1ccccc1O)CC2	822529369	DERXDAOCNKUPRF-UHFFFAOYSA-N	275.352	1.382	10	20	CDCD	
COc1cccc(CN2CC[C@@](F)(C(=O)O)C2)c1O	833735035	AUUWWEHZUVSKSR-ZDUSSCGKSA-N	269.272	1.399	10	20	CDCD	
COCCNC(=S)NCc1ccc(N(C)C)cc1C	734384701	KEIYKGYMIIKPEH-UHFFFAOYSA-N	281.425	1.672	10	20	CDCD	
COc1ccc(CNC(=O)[C@@H](CC(C)C)C(N)=O)c(O)c1	839747286	HFIDSHAOHSTLGK-LBPRGKRZSA-N	294.351	1.165	10	20	CDCD	
CCOC(=O)[C@H](C)N(C)C(=O)c1cccc(O)c1O	837181908	MMMUUYNSHDGVRS-QMMMGPOBSA-N	267.281	1.121	10	20	CDCD	
COC[C@H](C)CC(=O)NC[C@@H](N)c1ccc(N(C)C)cc1	832267049	LZCKKZHHSICTRF-IUODEOHRSA-N	293.411	1.541	10	20	CDCD	
CCC[C@](C)(NC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)O	833648324	RNAVSPWUISNSJG-ZKKXHLJNSA-N	293.319	1.871	10	20	CDCD	
COc1cc(O)c(CN2CCC[C@H](CCN)C2)cc1OC	843113630	ZPOSPSPTMPCZQB-GFCCVEGCSA-N	294.395	1.970	10	20	CDCD	
CCn1ccc(CC(=O)NCc2cc(OC)ccc2O)n1	845833509	GYCYHCKMEHEGHH-UHFFFAOYSA-N	289.335	1.476	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NCc2ccn(C)n2)c1	858334863	ZPIRVAXQAJUPDZ-UHFFFAOYSA-N	274.324	1.434	10	20	CDCD	
CCN(C)c1ccc(CN2CCC[C@H]2C(N)=O)cc1	859665003	KSWFVSGFWWQKMZ-AWEZNQCLSA-N	261.369	1.592	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)NOCC1CCC1	856349307	CHJQFFKECJPCLJ-ALCCZGGFSA-N	263.293	1.959	10	20	CDCD	
C[C@@H]1CN(Cc2cc3c(cc2O)OC[C@@H]3O)C[C@@H]1C	768466178	NNJQNTMWYVGSAQ-RBZYPMLTSA-N	263.337	1.906	10	20	CDCD	
CCO[C@@H](C(=O)NCCc1ccc(O)c(O)c1)C1CC1	860234452	GCRYNGQHHIVOMI-CQSZACIVSA-N	279.336	1.572	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)CCn2ccccc2=O)c1	862759940	NNBPAMAHRFSBLO-UHFFFAOYSA-N	286.331	1.569	10	20	CDCD	
C[C@@H](NCC(=O)N(C)CC1CC1)c1ccccc1O	879648620	WOHUFMUJIDUHGN-LLVKDONJSA-N	262.353	1.911	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)NC[C@H]2C[C@H](N)C2)c1	873258603	SESVYALTGJQADY-CKYFFXLPSA-N	278.352	1.567	10	20	CDCD	
CCCCOCCNC(=O)CN[C@H](C)c1ccccc1O	879649286	PKDSXONXJPKYIU-CYBMUJFWSA-N	294.395	1.976	10	20	CDCD	
COc1ccc(CNC[C@@H](C)O)cc1Cn1cccn1	873007186	XSYPADLQBHASEL-GFCCVEGCSA-N	275.352	1.410	10	20	CDCD	
CCN1C[C@@H](CNCc2ccc(C)cc2O)CC1=O	877613247	BVHLAVWINBRVLQ-GFCCVEGCSA-N	262.353	1.659	10	20	CDCD	
Cc1ccc(CNCC2(OCCO)CCOCC2)c(O)c1	877501449	QBLMQNRGBWFVHJ-UHFFFAOYSA-N	295.379	1.348	10	20	CDCD	
C[C@H](NC(=O)CCn1cncn1)c1ccc(N(C)C)cc1	773015590	PYRHPBOOTFLVGM-LBPRGKRZSA-N	287.367	1.612	10	20	CDCD	
CNC(=O)C1(NCc2cc3c(cc2O)OCO3)CCCC1	779174230	MWGNBFSKMDRFMP-UHFFFAOYSA-N	292.335	1.269	10	20	CDCD	
O=C(O)C1(NCc2ccc(N3CCOCC3)cc2)CC1	779491709	VAQLZCLBEAMNJN-UHFFFAOYSA-N	276.336	1.230	10	20	CDCD	
CCOCCN1CCN(Cc2ccc(N)cc2)CC1	1120371073	OPHOXAXVXXBFNC-UHFFFAOYSA-N	263.385	1.423	10	20	CDCD	
C[C@H](NCc1ncn(C)n1)c1c(O)cccc1F	886559756	CUTGIVKIAZPHIU-QMMMGPOBSA-N	250.277	1.511	10	20	CDCD	
O=C(NCc1ccccc1O)c1ccn(CC(F)F)n1	789996341	OYGGDONGKDTXAK-UHFFFAOYSA-N	281.262	1.784	10	20	CDCD	
C[C@@H](NCCN1CCCC1=O)c1c(O)cccc1F	886632976	KVQMBENSIWFMCV-SNVBAGLBSA-N	266.316	1.804	10	20	CDCD	
C[C@H](CNC(=O)NCc1ccc(N)cc1)N1CCCCC1	1120576775	NGANDKFLWIAKPZ-CYBMUJFWSA-N	290.411	1.942	10	20	CDCD	
Oc1cccc(Cl)c1CN[C@@H]1C[C@H](O)[C@H](O)C1	886255884	OCVUBZBCBPONOL-AAADPQRBSA-N	257.717	1.019	10	20	CDCD	
Cc1cnn(Cc2cn(Cc3ccc(N(C)C)cc3)nn2)c1	881270884	DGUIFXWOWLMVTK-UHFFFAOYSA-N	296.378	1.946	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1nc(=N)cc[nH]1	787926599	TXFOYEWCZNQZIA-UHFFFAOYSA-N	285.351	1.227	10	20	CDCD	
CC[C@@H]1C(=O)NCCCN1Cc1cc(F)ccc1O	898545823	NGBBLCKEWFGROJ-GFCCVEGCSA-N	266.316	1.632	10	20	CDCD	
OC[C@@]12C[C@@H]1CN(Cc1cc(Br)ccc1O)C2	783741161	LADSUPAPDUPJSR-MFKMUULPSA-N	298.180	1.969	10	20	CDCD	
COc1ccc(CN[C@H](C)[C@H](C)OC)c(O)c1OC	894552858	LEZDBBMMJOXGGV-ZJUUUORDSA-N	269.341	1.922	10	20	CDCD	
C[C@@H](CS(C)(=O)=O)NCc1cc(F)ccc1O	226608170	XCADCVDNFNTSGM-QMMMGPOBSA-N	261.318	1.054	10	20	CDCD	
CC1(NCc2cc(Br)cc(F)c2O)CNC1	1576545333	KAMPXXIXVSGFLS-UHFFFAOYSA-N	289.148	1.745	10	20	CDCD	
CCN(c1ccc(/C=C\C(=O)O)cc1[N+](=O)[O-])[C@H](C)CO	1596382852	FTZGLENDKUMARA-ONRRBMGISA-N	294.307	1.900	10	20	CDCD	
CCN1CCc2cc(CNC[C@@H](CC(=O)O)OC)ccc21	1776877336	PEHPPHXIDWKETP-CQSZACIVSA-N	292.379	1.648	10	20	CDCD	
COC(=O)c1ccc(/C=C/c2cnc(C(=O)O)cn2)n1C	1777124828	AOKPDDGLJOQWGI-ONEGZZNKSA-N	287.275	1.470	10	20	CDCD	
COc1ccc(N2CCN(C[C@H]3CCCNC3)CC2)cc1	19505156	MTVIXVMVXRKZNV-HNNXBMFYSA-N	289.423	1.817	10	20	CDCD	
COc1ccc(N2CCC(NCCOCCO)CC2)cc1	159135331	UTKOYDUJRRMAGE-UHFFFAOYSA-N	294.395	1.263	10	20	CDCD	
Cc1ncc(C(=O)N(C)Cc2ccccc2O)n1C	901054103	ALJQDDGABQXRNR-UHFFFAOYSA-N	259.309	1.706	10	20	CDCD	
Nc1ccc(CN2CCC(N3CCCC3=O)CC2)cc1	1120263451	OWNZRSHZDFYQPD-UHFFFAOYSA-N	273.380	1.856	10	20	CDCD	
Cc1ccc(CNC[C@H]2CCCS2(=O)=O)c(O)c1	877112478	WBAFKFQJQHIYJJ-GFCCVEGCSA-N	269.366	1.367	10	20	CDCD	
O=C1NCCCC[C@@H]1N[C@H]1CCc2cccc(O)c21	295836060	FIIYROLPKQOHOW-RYUDHWBXSA-N	260.337	1.638	10	20	CDCD	
CNC(=O)C[C@@H](C)N[C@H](C)c1cc(C)ccc1O	322730767	VJBSFWGHVAODHH-GHMZBOCLSA-N	250.342	1.876	10	20	CDCD	
CN(C)CCCNC(=S)NCc1ccc(N(C)C)cc1	7500535	ZANQGHCFKPCETN-UHFFFAOYSA-N	294.468	1.668	10	20	CDCD	
COc1ccc(O)c(CNC(=O)CC(F)(F)F)c1	114541588	MJIJWZLGKQOCJH-UHFFFAOYSA-N	263.215	1.969	10	20	CDCD	
CCN(C)C(=O)NCc1ccc(N2CCOCC2)c(F)c1	101796380	MVVOBLFCQIQJCH-UHFFFAOYSA-N	295.358	1.824	10	20	CDCD	
Cc1ccc(C(=O)N2C[C@H](C)OC[C@H]2C)c(O)c1O	177670535	OBMDQPUJPJUOEF-ZJUUUORDSA-N	265.309	1.656	10	20	CDCD	
COc1ccc(N(C)CC(=O)N(C)C)cc1OC	63616802	JRZRRSKHYZQMSR-UHFFFAOYSA-N	252.314	1.228	10	20	CDCD	
CCS(=O)(=O)CCN[C@H](C)c1cc(F)ccc1O	185331380	PUBXUVHXALTTNF-SECBINFHSA-N	275.345	1.617	10	20	CDCD	
COCCCNC(=O)[C@H](C)Sc1nccs1	64661764	AORUDPFBRNEVJO-QMMMGPOBSA-N	260.384	1.776	10	20	CDCD	
CCOc1cccc(CN(CCO)CCCOC)c1O	188926405	DWQJCZVGFOQGRX-UHFFFAOYSA-N	283.368	1.622	10	20	CDCD	
CCOc1ccc(O)c(CN(C)[C@@H](C)C[S@](C)=O)c1	187829766	XYPBBLQPCOHUKJ-WLRWDXFRSA-N	285.409	1.990	10	20	CDCD	
Cc1cccc(CN2C[C@@](C)(CO)[C@@](C)(CO)C2)c1O	529668320	JJBMQEJEWVOYDJ-IYBDPMFKSA-N	279.380	1.513	10	20	CDCD	
CCN1CCN(CCC(=O)NCc2ccccc2O)CC1	263673575	JIBQCHIXUDXGIV-UHFFFAOYSA-N	291.395	1.036	10	20	CDCD	
C[C@@H](NC(=O)N(C)Cc1ccccc1O)[C@H]1CCOC1	266734475	DHBVLMBDNIGEME-YPMHNXCESA-N	278.352	1.959	10	20	CDCD	
CCS(=O)(=O)CCN[C@H](C)c1cc(C)ccc1O	185330791	NGTNCYQQOXWUOU-LLVKDONJSA-N	271.382	1.786	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNCC2(C)COC2)c1O	278922812	VBANNTLVHRUMRR-UHFFFAOYSA-N	282.296	1.435	10	20	CDCD	
Cc1cc(O)c(CN[C@@H](C)c2ncnn2C)cc1C	276617859	DTYJBMLEUUCQAX-NSHDSACASA-N	260.341	1.988	10	20	CDCD	
C[C@@H](CN1CCOCC1)N(C)Cc1ccc(N(C)C)cc1	271595510	GXUFQWHRVAXMKL-HNNXBMFYSA-N	291.439	1.905	10	20	CDCD	
CCN(C[C@@H](O)C(F)(F)F)C(=O)c1cccc(O)c1O	280531081	RQUXKFFUZTXOEK-SECBINFHSA-N	293.241	1.483	10	20	CDCD	
CN(C)c1ccc(CN2CC[C@@](C)(C(N)=O)C2)cc1F	280122716	BTSXLPMHMPSCHF-OAHLLOKOSA-N	279.359	1.589	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NC[C@@H]2CCOC2)cc1F	299336434	RYVNNLFJWUTNLX-LBPRGKRZSA-N	295.358	1.727	10	20	CDCD	
CO[C@H]1COC[C@@H]1N[C@H](C)c1cc([N+](=O)[O-])ccc1O	290015150	BWYJUZKSNMBASB-WLTAIBSBSA-N	282.296	1.365	10	20	CDCD	
COc1cccc(CN(C)[C@H](CO)COC(C)C)c1O	809768526	ODMHGTXASKLBMH-CYBMUJFWSA-N	283.368	1.619	10	20	CDCD	
COc1ccc(O)c(CNCCC(C)(C)C(=O)O)c1	818629130	RSOLDOLBPCCWGD-UHFFFAOYSA-N	267.325	1.991	10	20	CDCD	
CN(CCC(=O)O)C(=O)/C=C\c1ccc(O)c(O)c1	820579971	OMLPPGOTMYQFFF-HYXAFXHYSA-N	265.265	1.044	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)NCc1ccc(O)nc1	588404511	HOMIDFQVZSOZOG-DJWKRKHSSA-N	286.287	1.528	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2cc(C=O)cn2C)cc1	822226770	HHJRIIVQYSVJMN-UHFFFAOYSA-N	285.347	1.834	10	20	CDCD	
Cc1noc(CCCNC(=O)c2cc(O)cs2)n1	732284661	WJXWTSLGQMQYHH-UHFFFAOYSA-N	267.310	1.508	10	20	CDCD	
CCc1c(C(=O)NCc2cc(OC)ccc2O)cnn1C	734015019	UCRRBBAHQHSYLN-UHFFFAOYSA-N	289.335	1.627	10	20	CDCD	
O=C(C[C@H]1CCCC(=O)N1)NCc1cc(Cl)ccc1O	846475217	ADDSQHXDVJRRKI-LLVKDONJSA-N	296.754	1.721	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H]2CO[C@H](C)C2)c(O)c1O	844106713	NGUNYZXVVUGFJH-BDAKNGLRSA-N	251.282	1.313	10	20	CDCD	
Cc1cc(Br)c(O)c(CN(C)CCN)c1	841100956	PVYSNDOVOQMFSM-UHFFFAOYSA-N	273.174	1.854	10	20	CDCD	
C[C@H]1C(=O)N(C)[C@H](C)[C@@H](C)N1C(=O)c1cc(O)cs1	912014253	QYPWLYBXDBLVKH-HLTSFMKQSA-N	282.365	1.533	10	20	CDCD	
CC[C@H]1CN(C(=O)C(=O)Nc2ccc(N)cc2)[C@@H](C)CO1	846320440	BGQAYZLAXCVDPS-GWCFXTLKSA-N	291.351	1.233	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)c1cncnc1C1CC1	910945750	XNQBEOOUOQHGNV-UHFFFAOYSA-N	285.303	1.695	10	20	CDCD	
CCOc1ccc(CNCC[C@H]2CCNC2)c(O)c1	841036846	PVGSUPPRLCBVCA-GFCCVEGCSA-N	264.369	1.880	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H]2CCCN2)c1	841937210	PEBJAOKZHQMCDW-QWRGUYRKSA-N	293.367	1.513	10	20	CDCD	
CN[C@H]1CCCN(Cc2cc(F)cc(C(C)=O)c2O)C1	843348604	SMVXNCFGHUSTJM-ZDUSSCGKSA-N	280.343	1.918	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNCC[C@@H]2CCNC2)c1O	841036455	ODTLZDMCYQSFHI-JTQLQIEISA-N	295.339	1.398	10	20	CDCD	
CN(C[C@@H]1CCC[C@H]1O)C(=O)c1cc(O)cs1	755329580	VOECQLRRGIPSKY-WCBMZHEXSA-N	255.339	1.687	10	20	CDCD	
C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C1(CO)CC1	855480402	GEHNAJIWAKQRSY-RXNUUUNCSA-N	277.320	1.388	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1CCn2cncc2C1	857944110	IXNZWJGTMQRKDU-FXMSTWTQSA-N	299.330	1.439	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@@H](C)c2cnn(C)c2)c1	750237210	XZMJBALCOVYNOH-JTQLQIEISA-N	289.335	1.554	10	20	CDCD	
COc1ccc(CN[C@H](CO)c2cnn(C)c2)cc1C	756992593	SMPBQIKOEBCTQQ-CQSZACIVSA-N	275.352	1.560	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@H](C)[C@H]2CCC(=O)N2)c1	862755254	PSRDHGTYHOFCAB-ZYHUDNBSSA-N	276.336	1.232	10	20	CDCD	
Cc1ccc(O)c(CNS(=O)(=O)CC2(N(C)C)CC2)c1	867560573	XVBGECHCFKHFMY-UHFFFAOYSA-N	298.408	1.214	10	20	CDCD	
CC[C@@H]1COCCN1Cc1cc2c(cc1O)OC[C@@H]2O	768444994	DWWRVTICNCFLJY-RISCZKNCSA-N	279.336	1.429	10	20	CDCD	
CCC[C@H](OCC)C(=O)NCc1ccc(O)c(O)c1	860243830	YUDPSZZGQLOOFJ-ZDUSSCGKSA-N	267.325	1.919	10	20	CDCD	
Oc1cc2c(cc1CN1CC[C@@H](CF)C1)[C@@H](O)CO2	1119331218	MZLPWJHZRJHWOZ-ZANVPECISA-N	267.300	1.609	10	20	CDCD	
COc1cccc(CNC[C@@H](OC)C2CCOCC2)c1O	877526964	WXJUUWATSHERMS-OAHLLOKOSA-N	295.379	1.932	10	20	CDCD	
CCS(=O)(=O)CCCN[C@@H](C)c1ccccc1O	775131855	XJKGOHFJMJTKDM-NSHDSACASA-N	271.382	1.868	10	20	CDCD	
Cc1ccc(CN2CCn3cnnc3[C@@H]2C)c(O)c1	877474233	XQKUNQQEPDCZTQ-NSHDSACASA-N	258.325	1.869	10	20	CDCD	
C[C@H](Cc1cnn(C)c1)NCc1cc([N+](=O)[O-])ccc1O	772951786	YSXVUQVOECKGBL-SNVBAGLBSA-N	290.323	1.755	10	20	CDCD	
CO[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1	779527543	GIZIZIXNAFVILX-JOAKQRRISA-N	263.293	1.358	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCCCN1C	773740987	RJELDMGOVZUGSP-YPMHNXCESA-N	292.379	1.629	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN(CCO)CC2CC2)c1O	774859074	SFBRPBSKGAXYDV-UHFFFAOYSA-N	296.323	1.513	10	20	CDCD	
C[C@H](C(=O)NCc1ccc(O)c(O)c1)c1cnn(C)c1	778917483	CXEGTHZLNGFDIE-VIFPVBQESA-N	275.308	1.251	10	20	CDCD	
CC[C@H]1C(=O)N(CC)CCN1C(=O)c1cc(O)cs1	779506454	VFGDXLLXLRKTBV-JTQLQIEISA-N	282.365	1.537	10	20	CDCD	
Nc1ccc(CNC(=O)NCCOCC2CCC2)cc1	1120659120	BCBWRTUVBQZVRZ-UHFFFAOYSA-N	277.368	1.885	10	20	CDCD	
C[C@H](NC[C@H]1CCCNC1=O)c1c(O)cccc1F	886625774	ZSRMNIPJKYHRPY-VHSXEESVSA-N	266.316	1.708	10	20	CDCD	
NC(=O)[C@@H]1CCC[C@H](C(=O)NCc2ccccc2O)C1	787131051	GBVDKJWUQDYCNZ-MNOVXSKESA-N	276.336	1.300	10	20	CDCD	
Oc1ccc(F)cc1CN1CC[C@H](C2OCCO2)C1	896384913	BLGLNALTGLNIIW-JTQLQIEISA-N	267.300	1.726	10	20	CDCD	
COc1ccc(CNC(=O)N[C@@H](C)[C@H]2CCOC2)c(O)c1	792962396	YZTDEDHRXQRTPL-JQWIXIFHSA-N	294.351	1.625	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCC(O)(C(F)F)CC1	790943423	LFTHHLKLRTWQKK-UHFFFAOYSA-N	287.262	1.330	10	20	CDCD	
COc1ccc(O)c(CN[C@H](CO)CC(F)(F)F)c1	717767266	GLHTVEGVPBDSNB-VIFPVBQESA-N	279.258	1.804	10	20	CDCD	
O=C1CN(Cc2c(O)ccc(Cl)c2F)CN1C1CC1	790943343	RGRVFVFDCRNGFE-UHFFFAOYSA-N	284.718	1.949	10	20	CDCD	
COc1ccc(O)c(CNCC2(N(C)C)CCC2)c1	97928363	RWLIEABCWAZPKE-UHFFFAOYSA-N	264.369	1.975	10	20	CDCD	
COCc1nocc1C(=O)NCc1cccc(OC)c1O	1324047399	SWRXWBOYGKNULH-UHFFFAOYSA-N	292.291	1.465	10	20	CDCD	
Oc1ccccc1CN(Cc1nc[nH]n1)C[C@H]1CCCO1	1330546466	GVRMOBODEXBVHO-CYBMUJFWSA-N	288.351	1.692	10	20	CDCD	
CCCNC(=O)[C@@H](C)NC(=O)c1ccc(C)c(O)c1O	1336158988	XBWBDMAKVPLMDZ-SECBINFHSA-N	280.324	1.051	10	20	CDCD	
O=C(O)CCN(Cc1cc(F)ccc1O)C1CCOCC1	1261481535	DEPFUEXIAJZXRP-UHFFFAOYSA-N	297.326	1.987	10	20	CDCD	
C[C@H](O)CC(C)(C)CNC(=O)NCc1ccc(N)cc1	1346351938	AQSUHCKWTBSJDB-NSHDSACASA-N	279.384	1.865	10	20	CDCD	
CC[C@H]1C(=O)N(CC)CCN1Cc1ccc(N)cc1	1345160131	RQUDUSTUSXSJTH-AWEZNQCLSA-N	261.369	1.712	10	20	CDCD	
CN[C@H](CNC(=O)Cc1ccc(N)cc1)Cc1ccccc1	1354893709	NOAXVORZXGRZRK-KRWDZBQOSA-N	297.402	1.758	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC[C@@]1(C(=O)O)CCOC1	1600236296	RGPZWTCFAOMJSP-INIZCTEOSA-N	292.379	1.642	10	20	CDCD	
CS[C@H](CO)[C@H](C)NCc1cc(F)ccc1O	226610497	ONUAIZSMICXJPS-QPUJVOFHSA-N	259.346	1.733	10	20	CDCD	
COC(=O)COc1ccc(N(C)C/C=C(/C)C(=O)O)cc1	1606473144	DRWLHLKINYMMMQ-FLIBITNWSA-N	293.319	1.706	10	20	CDCD	
O=C(O)C[C@@H]1COCCN1Cc1cccc(Cl)c1O	1610764862	MJTZUSQDUWPEOO-SNVBAGLBSA-N	285.727	1.721	10	20	CDCD	
C[C@H](NC(=O)N[C@H]1CCN[C@@H]1C)c1ccc(N(C)C)cc1	1576213386	YXZACAUJXDBGSL-ZOWXZIJZSA-N	290.411	1.863	10	20	CDCD	
COc1ccc(N(C)CCN(C)C(=O)OC2CNC2)cc1	1579224538	NXNBISXQCAGJBU-UHFFFAOYSA-N	293.367	1.172	10	20	CDCD	
NC[C@@H]1C[C@H]2CC[C@H]1N(C(=O)Cc1ccc(O)c(O)c1)C2	1580257251	FZLABLSORVDZND-FRRDWIJNSA-N	290.363	1.226	10	20	CDCD	
CC[C@@H](CNCc1ccc(N2CC[C@H](O)C2)cc1)C(=O)O	1776714508	LUDBVAIUZUAQJY-ZFWWWQNUSA-N	292.379	1.458	10	20	CDCD	
CCN1CCc2cc(CN[C@@H](CN(C)C)C(=O)O)ccc21	1776877622	IOPNLXZWUYZMRX-AWEZNQCLSA-N	291.395	1.173	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@H]1CCn2ccnc2C1	160085869	XFXOMTMSMMNJCO-LBPRGKRZSA-N	285.347	1.810	10	20	CDCD	
CN(C)c1ccc(CNC[C@H]2CCCS2(=O)=O)cc1	126954845	JSISKTCREOIPHL-CQSZACIVSA-N	282.409	1.419	10	20	CDCD	
CCN1CCC[C@H](NCc2ccc(C)cc2O)C1=O	896728878	HJCIMJYVSYYZLX-ZDUSSCGKSA-N	262.353	1.801	10	20	CDCD	
Cc1cccc(O)c1CNCC1CC2(C1)OCCO2	896909254	RUGSUXZQENAJFE-UHFFFAOYSA-N	263.337	1.943	10	20	CDCD	
CCOc1cccc(CN[C@H]2CCCS(=O)(=O)C2)c1O	69140515	OLVQPSSVWTUEEG-LBPRGKRZSA-N	299.392	1.458	10	20	CDCD	
Oc1c(Cl)cc(Cl)cc1CN[C@@H]1COCC[C@H]1O	710903631	IDAYGNUJXHURFJ-GHMZBOCLSA-N	292.162	1.938	10	20	CDCD	
C[C@@H](NC(=O)c1cccc(O)c1O)[C@@H]1CCCOC1	389050857	RXRWDWGNGHBUPP-NXEZZACHSA-N	265.309	1.643	10	20	CDCD	
O=C(N[C@H]1c2ccccc2C[C@H]1O)c1cccc(O)c1O	126615664	ACTFQBSOWMJVBM-KGLIPLIRSA-N	285.299	1.486	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)Nc1nccn(C)c1=O	184147411	LMRCYFZQQOYYRZ-VIFPVBQESA-N	275.308	1.235	10	20	CDCD	
CCOCCN1CCN(Cc2cc(C)ccc2O)CC1	127472975	KEICDXVPUIVEMX-UHFFFAOYSA-N	278.396	1.855	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CCOCC12CCC2	181244553	KRJJFEXDCWFDHX-HWKANZROSA-N	289.331	1.893	10	20	CDCD	
COc1cccc(CN2C[C@@H](C(=O)O)[C@@H](C)C2)c1O	227816455	NBMICBJYCPJAHB-GXSJLCMTSA-N	265.309	1.553	10	20	CDCD	
COCCN(CCO)Cc1cc(C)c(C)cc1O	93005763	DZOVHHKQYXSEDJ-UHFFFAOYSA-N	253.342	1.450	10	20	CDCD	
C[C@H]1CN(Cc2ccc(N3CCOCC3)cc2)CC[C@H]1O	250071778	OACKOOBBXCVHBD-WMLDXEAASA-N	290.407	1.726	10	20	CDCD	
C[C@@H]1CCN(CC(=O)NCc2ccc(N(C)C)cc2)C1	263732608	QBGRBMNOZPSEFF-CYBMUJFWSA-N	275.396	1.711	10	20	CDCD	
COC(=O)C[C@H]1CCCN1Cc1cc2c(cc1O)OCO2	269359683	JBBDTMCNNITMDX-LLVKDONJSA-N	293.319	1.648	10	20	CDCD	
CCN(CC)c1ccc(CN2C(=O)N[C@H](C)C2=O)cc1	272349202	XLMMQYQKFZCDMG-LLVKDONJSA-N	275.352	1.973	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2CCO[C@H](C)[C@H]2C)c1O	278332718	ZMSCFTYSRAHOOR-NXEZZACHSA-N	296.323	1.918	10	20	CDCD	
CN1CC[C@H]2CCN(C(=O)c3cccc(O)c3O)[C@H]2C1	279891809	SUOFWVGCOWUDMQ-JQWIXIFHSA-N	276.336	1.264	10	20	CDCD	
C[C@H]1C[C@H](N2CCOCC2)CN1Cc1ccccc1O	289188866	ASOJEGYAZSTOGB-ZFWWWQNUSA-N	276.380	1.687	10	20	CDCD	
COC(=O)C(C)(C)CCNC(=O)c1cccc(O)c1O	286489033	QJNFITUFKLIJRB-UHFFFAOYSA-N	281.308	1.417	10	20	CDCD	
CC[C@H](N[C@H]1CC(=O)N(C)C1)c1ccc(C)cc1O	280302036	ZYHBAZSQXBRYFN-AAEUAGOBSA-N	262.353	1.972	10	20	CDCD	
CCN(Cc1ccc([N+](=O)[O-])c(OC)c1O)[C@H](C)CO	292736358	GXDVPWKJGWNMHW-SECBINFHSA-N	284.312	1.512	10	20	CDCD	
C[C@@H](OC[C@H]1CCCCO1)C(=O)NCc1ccc(N)cc1	297145787	ILXJWJJDOZIPKP-IUODEOHRSA-N	292.379	1.859	10	20	CDCD	
C[C@@H]1C[C@@H](C)[C@H](C(=O)OCC(=O)c2ccc(O)c(O)c2)O1	800299653	KPSGEHNBZMGING-RFXMVYNHSA-N	294.303	1.637	10	20	CDCD	
CO[C@H]1CCN(C(=O)c2cccc(O)c2O)CC1(C)C	296298888	YDHXYKPUXVKLKP-LBPRGKRZSA-N	279.336	1.985	10	20	CDCD	
COc1ccc(O)c(CN(C)[C@H]2CC(C)(C)OC2=O)c1	814178794	DFHOCNAMUYQDQT-LBPRGKRZSA-N	279.336	1.927	10	20	CDCD	
CCOc1ccc(CN2C[C@H](CO)OC(C)(C)C2)c(O)c1	817412936	RHBVATJYKWTWIJ-CQSZACIVSA-N	295.379	1.763	10	20	CDCD	
Cc1cc(CN2CCN3CCOC[C@@H]3C2)ccc1N(C)C	815092798	RXKOCMCKZZOOHZ-INIZCTEOSA-N	289.423	1.577	10	20	CDCD	
C[C@@H](C[C@H]1COCCN1)NCCc1ccc(N)cc1	817958250	UVWWUYAWMSYKMN-WFASDCNBSA-N	263.385	1.168	10	20	CDCD	
C[C@H](CC(=O)O)NCc1ccc(N2CCN(C)CC2)cc1	820085924	ZCVLLAFXMWJVKS-CYBMUJFWSA-N	291.395	1.391	10	20	CDCD	
COc1cccc(CN2CCC[C@H]3CN(C)C[C@H]32)c1O	822520758	ONJRLJPRIKXOTD-GXTWGEPZSA-N	276.380	1.927	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H]1CC(=O)N1	824239869	APPYKXMFUBKLQR-ZDUSSCGKSA-N	289.379	1.380	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)c2cnc(C)cn2)c1	728985424	XPTHAHOBOVMFJJ-JTQLQIEISA-N	287.319	1.990	10	20	CDCD	
COC[C@@]1(CO)CCN(Cc2cc(F)ccc2O)C1	825158550	PTGWZXVEARELQW-AWEZNQCLSA-N	269.316	1.362	10	20	CDCD	
COc1cc2c(c(OC)c1)N(Cc1cn(C)nn1)CCC2	839654922	CFEOWEFFRDYAIT-UHFFFAOYSA-N	288.351	1.785	10	20	CDCD	
COc1ccc(N2CCC(NCCCON)CC2)cc1	902417632	BGSHAGHVOQZLFX-UHFFFAOYSA-N	279.384	1.534	10	20	CDCD	
COCC(COC)N[C@@H](C)c1cc(F)cc(F)c1O	834891098	MXEGQNPGVMVQMN-QMMMGPOBSA-N	275.295	1.982	10	20	CDCD	
CC[C@H]1C(=O)NCCN1Cc1c(O)ccc2ccncc12	730254795	URUGZUBXVFGVHG-AWEZNQCLSA-N	285.347	1.651	10	20	CDCD	
CCC[C@@H](O)[C@H](CO)NCc1c(O)cccc1Cl	842224285	BRXZQLNCDVTQRK-WCQYABFASA-N	273.760	1.657	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC[C@]1(O)CCOC1	840936967	PCPYTLBNTCCBOY-OAHLLOKOSA-N	264.369	1.302	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)NC[C@H](C)CN	841962275	HNFBJKBNLMOHTO-GFCCVEGCSA-N	279.384	1.909	10	20	CDCD	
CCN1CC(=O)N[C@H]1c1cc(Cl)c(F)cc1O	840818041	MWMNRISXELYDAI-LLVKDONJSA-N	258.680	1.635	10	20	CDCD	
COc1ccc(N(C)CCN(C)C(=O)[C@H](C)[C@@H](C)N)cc1	846695740	AEDBDZFAALQCJN-CHWSQXEVSA-N	293.411	1.573	10	20	CDCD	
Nc1ccc(CCNC(=O)N[C@H]2CCc3c[nH]nc3C2)cc1	841856756	KNQXQLCDMUMJKI-AWEZNQCLSA-N	299.378	1.391	10	20	CDCD	
CCOC(=O)[C@@H](C)[C@H](C)NC(=O)Nc1ccc(N)cc1	841297195	NHIOEYCXVCDVDI-UWVGGRQHSA-N	279.340	1.978	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)N[C@H]2COC[C@@H]2C)c1	926029990	IWBNTBWIVJJPST-JQWIXIFHSA-N	264.325	1.535	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)OCc1ccno1	759592412	GRIJLQYRNDOVMQ-DUXPYHPUSA-N	261.233	1.842	10	20	CDCD	
CO[C@@H](C)CCNC(=O)NCc1cc(C)ccc1O	858195614	YHIFVVCTTNFCIA-NSHDSACASA-N	266.341	1.925	10	20	CDCD	
CCn1cc(C(=O)C(=O)NCc2ccccc2O)cn1	759608007	LKRVCCVTSMGGBQ-UHFFFAOYSA-N	273.292	1.108	10	20	CDCD	
Cc1nc([C@@H]2CCCN(C(=O)c3cc(O)cs3)C2)n[nH]1	761604078	XBTDIXLMJXVQQH-SECBINFHSA-N	292.364	1.900	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCC1(O)CCC1	867302377	OSSPKTUVJHEUCB-LLVKDONJSA-N	293.363	1.840	10	20	CDCD	
CCCN(CC(=O)NC)Cc1cccc(OC)c1O	133295299	BDCJOSWTQUKHIA-UHFFFAOYSA-N	266.341	1.359	10	20	CDCD	
OC[C@@H](NCc1ccc(N2CCC(O)CC2)cc1)C1CC1	877044856	JJVNTKUPQKJANJ-QGZVFWFLSA-N	290.407	1.508	10	20	CDCD	
O=C(O)COCCNCc1cc(Cl)c(F)cc1O	874043527	USEKYKVHWUVHFE-UHFFFAOYSA-N	277.679	1.376	10	20	CDCD	
C[C@@H](NC(=O)CCn1ccnn1)c1ccc(N(C)C)cc1	773013047	ZGIIYXKJWSIKNE-GFCCVEGCSA-N	287.367	1.612	10	20	CDCD	
CSC[C@H](NCc1ccc2c(c1)CCCO2)C(=O)O	1120002421	VKOLDSGVGCLVDI-LBPRGKRZSA-N	281.377	1.917	10	20	CDCD	
CC[C@@H](NC(=O)NCc1ccc(N)cc1)[C@@H](C)O	1120677313	NMOQNFZOJMRSLC-BXKDBHETSA-N	251.330	1.227	10	20	CDCD	
C[C@@H]1CN(C(=O)NCc2ccc(N)cc2)C[C@@H](C2CC2)O1	1120591991	OGVJYEFVLYDMJO-ABAIWWIYSA-N	289.379	1.978	10	20	CDCD	
COCCO[C@H]1COCC[C@H]1NCc1ccccc1O	776811612	BGDXFKKIPGENAK-HIFRSBDPSA-N	281.352	1.302	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N1CCC[C@H]1CCO	779283732	JNDHUPTVQHOAIF-RNZFLTOJSA-N	277.320	1.484	10	20	CDCD	
C[C@@H](NC(=O)NCC1(N)CCC1)c1ccccc1O	892053361	KNFWBCBQHPNNOW-SNVBAGLBSA-N	263.341	1.634	10	20	CDCD	
C[C@H]1CN(Cc2ccc(N3CCC(O)CC3)cc2)C[C@H]1O	897681280	ZXQWNNGKNCBOKK-SUMWQHHRSA-N	290.407	1.460	10	20	CDCD	
CC[C@H](CN1CCOCC1)NCc1cccc(C)c1O	896622980	XQEWISIAQWHSAI-OAHLLOKOSA-N	278.396	1.901	10	20	CDCD	
Cc1cccc(CN2CC(N3CCCC3=O)C2)c1O	897784660	XCPBQYAOEAGSHS-UHFFFAOYSA-N	260.337	1.507	10	20	CDCD	
CNC(=O)C[C@H](C)NCc1ccc(OC)c(OC)c1O	894749618	ABCLDCVDWOEPGX-VIFPVBQESA-N	282.340	1.024	10	20	CDCD	
COc1ccc(CN[C@H]2C[C@H](O)C2)c(O)c1OC	895471030	HTANVKQIYCQUQK-MGCOHNPYSA-N	253.298	1.022	10	20	CDCD	
CC(=O)c1cc(F)cc(CN(C)C[C@H]2C[C@@H](O)C2)c1O	703849949	RBXSUHHIIFZBHB-GSJFWJNXSA-N	281.327	1.937	10	20	CDCD	
CCOC(=O)C[C@@H](C)NC(=O)c1cccc(O)c1O	791116867	DPWFMDDRRCPBMW-MRVPVSSYSA-N	267.281	1.169	10	20	CDCD	
COc1ccc(O)c(CN2CCSC[C@@H]2CC(=O)O)c1	91133609	KEILNNIFVVGUKK-NSHDSACASA-N	297.376	1.793	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCc2ncsc2C1	783844279	HRTGDMYJXAJLFK-UHFFFAOYSA-N	276.317	1.753	10	20	CDCD	
O=C(Nc1ccnn1C[C@@H]1CCOC1)c1cc(O)cs1	1330168515	LTNCJQVCHIGXOJ-VIFPVBQESA-N	293.348	1.939	10	20	CDCD	
C[C@@H](CCCN)NC(=O)NCc1ccc(N)cc1	1336974939	FOWHUGULRXNTHN-JTQLQIEISA-N	250.346	1.195	10	20	CDCD	
CN(C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2Cc1ccc(N)cc1	1345159338	GLVHDQFPPRSGFF-IXDOHACOSA-N	289.423	1.952	10	20	CDCD	
Nc1ccc(CN2CCC[C@H]([C@@H]3C[C@H](N)CCO3)C2)cc1	1356083492	PQNNCRMOWUMCDL-UAGQMJEPSA-N	289.423	1.987	10	20	CDCD	
CN1CCN(C)[C@@H](CNCc2cc(Cl)ccc2O)C1	225324294	RTCKDJWNIBKPKY-ZDUSSCGKSA-N	283.803	1.381	10	20	CDCD	
COC(=O)[C@@H]1CCN(C(=O)Cc2ccc(N)cc2)[C@H](C)C1	1523309041	QCJNAONHTYJIKI-DGCLKSJQSA-N	290.363	1.611	10	20	CDCD	
Nc1ccc(CN2C[C@H]3COCC[C@@]3(C(=O)O)C2)cc1	1601216127	OVFFKDNRGBZPQZ-SWLSCSKDSA-N	276.336	1.192	10	20	CDCD	
O=C(NCc1ccccc1O)[C@H]1CC12CCNCC2	228422914	ZRDSOEQFFPFDDI-GFCCVEGCSA-N	260.337	1.398	10	20	CDCD	
COC[C@H](CCO)N[C@H](C)c1cc(OC)ccc1O	230663296	SZIVGHUJBGDCRM-MNOVXSKESA-N	269.341	1.449	10	20	CDCD	
Cc1cc(C(=O)NC2(C)CNC2)c(C)n1-c1ccccn1	1579560436	XNKSJNHEBMHYCC-UHFFFAOYSA-N	284.363	1.581	10	20	CDCD	
COC[C@H](O)CCNCc1ccc(N2CCCC2)cc1	231606082	SWUFUXHQFILYSG-MRXNPFEDSA-N	278.396	1.774	10	20	CDCD	
C[C@@H](C(=O)O)N(C(=O)c1cc(O)cs1)C1CCC1	1589476401	BSNGSDKZJWFRRT-ZETCQYMHSA-N	269.322	1.922	10	20	CDCD	
CN(CC(=O)O)Cc1cc(F)c(N(C)C)cc1F	1593721487	VSRBVVWXCXRCAZ-UHFFFAOYSA-N	258.268	1.547	10	20	CDCD	
C[C@@H](CNCc1cc([N+](=O)[O-])ccc1O)C(=O)O	1776426565	PLBSYUSZJQIVLA-ZETCQYMHSA-N	254.242	1.111	10	20	CDCD	
CCOc1ccc(O)c(CN(C)[C@H]2CCS(=O)(=O)C2)c1	157643855	SHNBFEHRXYCBCJ-LBPRGKRZSA-N	299.392	1.410	10	20	CDCD	
CC[C@H](NC[C@H]1CCCNC1=O)c1ccccc1O	838911908	BSIAGQJKUAXLQK-YPMHNXCESA-N	262.353	1.959	10	20	CDCD	
NC[C@H]1CC[C@H](NC(=O)Cc2ccc(N)cc2)CC1	877179164	MNSUCYPVRSZYNS-MQMHXKEQSA-N	261.369	1.445	10	20	CDCD	
CC[C@H](N[C@H](C)C(=O)N(C)C)c1ccccc1O	36794093	MDGRUVQHHVTTLA-PWSUYJOCSA-N	250.342	1.910	10	20	CDCD	
CCOc1cccc(CNCC(=O)N(C)CC)c1O	185185844	MTVQHILTSBXLNW-UHFFFAOYSA-N	266.341	1.359	10	20	CDCD	
C[C@H](NC[C@]1(O)CCN(C)C1)c1ccc(F)cc1O	702652493	LISNYEKQHCAJRX-IINYFYTJSA-N	268.332	1.249	10	20	CDCD	
C[C@H](C[S@](C)=O)N(C)Cc1cc(F)cc(F)c1O	708422246	LACSQRXJUBJOQT-CVJBHZAOSA-N	277.336	1.869	10	20	CDCD	
COc1ccc(O)c([C@H](C)NCc2cnn(C)n2)c1	389833991	CFRAYIBVWHYFGY-VIFPVBQESA-N	262.313	1.380	10	20	CDCD	
Cc1cccc(CN[C@@H](CO)C[C@@H]2CCCO2)c1O	895749286	QHRUAYUPEFYTPA-KGLIPLIRSA-N	265.353	1.720	10	20	CDCD	
Cn1c(-c2ccccc2)cnc1SCCS(N)(=O)=O	118611055	WRSGGSCQQSRDBI-UHFFFAOYSA-N	297.405	1.468	10	20	CDCD	
CC(=O)N1CCN(Cc2ccccc2O)C(C)(C)C1	184725216	PFNXRZXOLFJKRY-UHFFFAOYSA-N	262.353	1.835	10	20	CDCD	
COc1cccc(CN[C@H](C)CC[S@@](C)=O)c1O	125567940	BWWNHYUNIYSYAO-MGNBDDOMSA-N	271.382	1.648	10	20	CDCD	
C[C@@H](NCC(F)(F)CO)c1ccc(F)c(F)c1O	187923157	OPSCAWQRFXMGRJ-ZCFIWIBFSA-N	267.222	1.949	10	20	CDCD	
C[C@H]1OCC[C@@]1(O)CNCc1ccc(N2CCCC2)cc1	227981990	NDMYGBJYQKDGIV-RHSMWYFYSA-N	290.407	1.916	10	20	CDCD	
COC(CN(C)C(=O)c1ccc(CN=[N+]=[N-])o1)OC	1537962899	ILBHEMKRTODSMM-UHFFFAOYSA-N	268.273	1.781	10	20	CDCD	
CCOc1cccc(CNc2cnn(CCO)c2)c1O	236968405	SODGZPPQUYLJRT-UHFFFAOYSA-N	277.324	1.592	10	20	CDCD	
O=C1NC(=O)C2(CCC(NCc3ccccc3O)CC2)N1	271874994	NRWPVLBPXBPSET-UHFFFAOYSA-N	289.335	1.003	10	20	CDCD	
C[C@@H](O)CCCNC(=O)NCc1ccc(N(C)C)c(F)c1	279449487	KOUXXNPJHSAOCK-LLVKDONJSA-N	297.374	1.852	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](C)n1cccn1	274910333	IWZMRBPAORIOOV-QWRGUYRKSA-N	289.335	1.603	10	20	CDCD	
Cc1ccc(O)c(CNC[C@@H](CO)[C@@H]2CCOC2)c1	280306632	NYXFYEVFMVBJKY-OCCSQVGLSA-N	265.353	1.435	10	20	CDCD	
CC(C)[C@@H](O)C(=O)NCc1ccc(N(C)C)c(F)c1	285301089	UOHNTQJEFRTOOE-CYBMUJFWSA-N	268.332	1.525	10	20	CDCD	
COc1ccc(Cl)cc1CC(=O)OCC(=O)C(C)=O	808490346	CYRYIGZAXCANBW-UHFFFAOYSA-N	284.695	1.592	10	20	CDCD	
COCCCN1C(=O)CN(Cc2ccccc2O)C1=O	819165941	IGHJSULQTCSNJW-UHFFFAOYSA-N	278.308	1.193	10	20	CDCD	
COc1cccc(O)c1CNc1ccc(CO)cn1	811501840	ZHAPNSBGXCLCKX-UHFFFAOYSA-N	260.293	1.900	10	20	CDCD	
CSC[C@@H](O)CNCc1ccc2c(c1)CCO2	818997183	UKWJYNXYZWQURY-LBPRGKRZSA-N	253.367	1.435	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@]1(F)CCNC1	825942536	BXMWEJWMQLRBSY-OAHLLOKOSA-N	279.359	1.413	10	20	CDCD	
O=C(NCC[C@H](O)C1CC1)c1c(F)ccc(O)c1O	900839894	VXOZQNLGKQAENB-VIFPVBQESA-N	269.272	1.128	10	20	CDCD	
COc1cc2c(c(OC)c1)N(C[C@@H](C)O)CCC2	839656400	JZSSNCFNVSZXBP-SNVBAGLBSA-N	251.326	1.837	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC[C@]2(C)CCC(=O)N2)c1	834908675	LDNUWDMWHKRYBQ-BMIGLBTASA-N	278.352	1.720	10	20	CDCD	
COC(=O)c1ccc(CNC(=O)c2cc(O)cs2)o1	734174694	FTPRUFZFRJANTG-UHFFFAOYSA-N	281.289	1.763	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)C2(C(=O)O)CC2)c1	836723694	JICPXMJWZACTTR-QMMMGPOBSA-N	279.292	1.443	10	20	CDCD	
CCc1c(C(=O)NCc2ccc(N(C)C)cc2)cnn1C	915617044	GFYSGGXCKXJNDC-UHFFFAOYSA-N	286.379	1.979	10	20	CDCD	
C[C@H](CNC(=O)c1cc(O)cs1)CC1(C)OCCO1	743487954	LKABASPMTWCEIX-VIFPVBQESA-N	285.365	1.973	10	20	CDCD	
CCS(=O)(=O)C1CN(Cc2ccccc2O)C1	841886302	LKCFTRGAIFMOBU-UHFFFAOYSA-N	255.339	1.011	10	20	CDCD	
CCOc1ccc(O)c(CN2CC[C@@H](NC)C2)c1	843044773	IWSZMEOHBHQZDU-GFCCVEGCSA-N	250.342	1.585	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H](CN)C2CC2)c1O	841028029	JRQRXFISXPYJMZ-JTQLQIEISA-N	281.312	1.136	10	20	CDCD	
COC[C@H](O)CCN[C@@H](C)c1cccc(OC)c1O	846157965	QKJBBOFLAWJORN-WDEREUQCSA-N	269.341	1.449	10	20	CDCD	
C[C@@H](CN)NCc1ccc(N2CCOCC2)c(F)c1	841064562	YPYMNDHZEIZPGO-NSHDSACASA-N	267.348	1.099	10	20	CDCD	
CNC(=O)NC1CCN(Cc2c(O)cccc2OC)CC1	840974328	GMIULDBLABWAJL-UHFFFAOYSA-N	293.367	1.294	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)c1ccc2nn[nH]c2n1	753833170	DNVVJDOXWDTZGZ-UHFFFAOYSA-N	283.291	1.331	10	20	CDCD	
CC[C@H](N)C(=O)NCc1ccc(N2CCC(O)CC2)cc1	852869079	UCWQOMUAXSHDIZ-HNNXBMFYSA-N	291.395	1.001	10	20	CDCD	
C[C@@H]1C[C@H](N[C@@H]2CCOC[C@H]2O)c2c(O)ccc(F)c21	858553497	QYQDHCQDEOQGLF-GMTLJSCSSA-N	281.327	1.819	10	20	CDCD	
O=C(O)/C=C\c1ccc(N2CCC(O)CC2)c([N+](=O)[O-])c1	920959988	AGYGBYBHTMNFGH-RQOWECAXSA-N	292.291	1.654	10	20	CDCD	
C[C@@H]1COC[C@@H]1NC(=O)N(C)Cc1ccc(N(C)C)cc1	925992501	RPHNUFUZCYSZRV-DOMZBBRYSA-N	291.395	1.929	10	20	CDCD	
Cc1nc(C)c(C(=O)COC(=O)c2cccc(O)c2O)o1	758563806	XTXRFLNCQUEAQM-UHFFFAOYSA-N	291.259	1.742	10	20	CDCD	
CC[C@@H](OC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)OC	759588149	JFVNWKUJDFRMLS-SMYYYNMVSA-N	280.276	1.606	10	20	CDCD	
Nc1ccc(CC(=O)N[C@@H]2CCN3CCC[C@@H]3C2)cc1	132874061	DLJWJQRWSLNBRF-HUUCEWRRSA-N	273.380	1.554	10	20	CDCD	
COc1ccc(CNC[C@H](C)S(C)(=O)=O)cc1C	697580757	WAHJPJAFRSDTRH-NSHDSACASA-N	271.382	1.526	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CCn3ccnc32)c1O	931525736	IZEHESHYYHLWHQ-UHFFFAOYSA-N	275.283	1.951	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@@H]2CCCN2C2CC2)c1	862755040	BCQCUJRRPDGQQC-AWEZNQCLSA-N	274.364	1.944	10	20	CDCD	
Cc1cccc(CN(C)CCN2CCCC2=O)c1O	775691082	KZOVXSSFJAGSHU-UHFFFAOYSA-N	262.353	1.755	10	20	CDCD	
COc1cccc(CNC(=O)NCC(F)F)c1O	879762471	HOVHSGQMJUCGOQ-UHFFFAOYSA-N	260.240	1.465	10	20	CDCD	
COc1ccc(O)c(CN2CCC[C@H](CCO)C2)c1	775681667	QLDISUGDMRUPRI-GFCCVEGCSA-N	265.353	1.995	10	20	CDCD	
C[C@H](N[C@H](C)C(=O)N(C)C)c1ccc(F)cc1O	62745932	HXWFWYVFNGHKTM-DTWKUNHWSA-N	254.305	1.659	10	20	CDCD	
COc1cccc([C@@H](C)N[C@@H]2CCOC[C@H]2O)c1O	872140691	VZQKEZGEVBFCSD-YUSALJHKSA-N	267.325	1.201	10	20	CDCD	
O=C1CC[C@@H](NCCCSc2nccs2)CCN1	873054697	TXWRECKCGGJJEC-SNVBAGLBSA-N	285.438	1.884	10	20	CDCD	
C[C@H](CCO)NCc1ccc(N2CCC(CO)CC2)cc1	779393535	SAPSPKLQTOJZRR-CQSZACIVSA-N	292.423	1.756	10	20	CDCD	
CN(Cc1nc[nH]n1)Cc1cc(Cl)cc(F)c1O	775704349	BFLQFZXSUKLMCW-UHFFFAOYSA-N	270.695	1.935	10	20	CDCD	
COCC1(C(=O)NCc2cccc(OC)c2O)CC1	778913746	FDJPAJCBFGKMJS-UHFFFAOYSA-N	265.309	1.444	10	20	CDCD	
Cc1noc(C)c1CCNC(=O)c1c(F)ccc(O)c1O	789974371	XZENCINOTKNYFP-UHFFFAOYSA-N	294.282	1.814	10	20	CDCD	
C[C@H]1C[C@@H](NC(=O)N(C)Cc2ccccc2O)C(=O)O1	896332338	MVADYYGHXLUCHY-GXSJLCMTSA-N	278.308	1.238	10	20	CDCD	
O=S(=O)(C[C@H]1CCCOC1)Nc1ccc(O)cc1F	795349246	XHJUFCHMDGZXBP-VIFPVBQESA-N	289.328	1.700	10	20	CDCD	
Nc1ccc(CCNC(=O)CC[C@@H]2CCCO2)cc1	87206636	GNVWYWDVZNUPNI-AWEZNQCLSA-N	262.353	1.887	10	20	CDCD	
CO[C@@H](C)CS(=O)(=O)NCc1cc(C)ccc1O	1329238296	IDSJUJYWPVRDOF-JTQLQIEISA-N	273.354	1.155	10	20	CDCD	
O=CN1CCCN(Cc2ccc(N3CCCC3)cc2)CC1	1328160327	OTHQTAVUWWEIDI-UHFFFAOYSA-N	287.407	1.951	10	20	CDCD	
CC(C)CN1CCC[C@H]1C(=O)NCc1ccc(O)cc1O	1335951678	KAHIVOUWVRZPRZ-AWEZNQCLSA-N	292.379	1.834	10	20	CDCD	
CCN1CCN(Cc2cccc(OC)c2O)C[C@@H]1C	211482640	ZRESGLXAKANRTO-LBPRGKRZSA-N	264.369	1.927	10	20	CDCD	
COc1ccc(O)c([C@@H](C)N[C@H]2CCN(C)C2=O)c1	121034414	RHLWVLOMOXUSQY-SKDRFNHKSA-N	264.325	1.282	10	20	CDCD	
Cc1ccc([C@@H](N)C(=O)NCc2c(O)cccc2O)cc1	1579668532	IFYXRJIWQOMQTP-OAHLLOKOSA-N	286.331	1.722	10	20	CDCD	
CC(C)[C@H](O)CN[C@H](C)c1cccc(-c2nn[nH]n2)c1O	1589959847	VZLVIDWYGJQTOW-BXKDBHETSA-N	291.355	1.240	10	20	CDCD	
COc1cccc(O)c1CNCCC(C)(C)C(=O)O	1594131618	HBWRYHPLQAAJQJ-UHFFFAOYSA-N	267.325	1.991	10	20	CDCD	
C[C@@H](NCC(C)(C)O)c1cc(C(=O)O)ccc1O	1593240893	TUKYINAOTBINST-MRVPVSSYSA-N	253.298	1.512	10	20	CDCD	
CCN(C)c1ccc(CN[C@H](CC(=O)O)C(=O)O)c(C)c1	1776856603	LCKDMZYQPZGIIU-CYBMUJFWSA-N	294.351	1.469	10	20	CDCD	
C[C@@H](C[S@](C)=O)N[C@@H](C)c1cc(F)ccc1O	168869270	AXZXMKAQIQBIGX-IRWWLHRVSA-N	259.346	1.949	10	20	CDCD	
C[C@@H](CNCc1ccc2c(c1)CCCO2)S(C)(=O)=O	921931701	AYIYSVRZYIBZNY-NSHDSACASA-N	283.393	1.534	10	20	CDCD	
CCN(CC)c1ccc(CNCCS(C)(=O)=O)cc1	37740660	MZWJHLCIHBNYHP-UHFFFAOYSA-N	284.425	1.667	10	20	CDCD	
CNC(=O)CCN(C)Cc1cc(F)cc(C(C)=O)c1O	175633231	FTEYUTGULPFHRY-UHFFFAOYSA-N	282.315	1.302	10	20	CDCD	
Cc1ccc(O)c([C@H](C)NC[C@@H](C)S(C)(=O)=O)c1	697580766	WDTKMUQOOZPKDJ-MNOVXSKESA-N	271.382	1.784	10	20	CDCD	
Nc1ccc(CC(=O)NCCOC(F)(F)F)cc1	398162186	JQOFMMVINWIMLA-UHFFFAOYSA-N	262.231	1.464	10	20	CDCD	
Cc1ccc(C(=O)N2C[C@@H](C)OC[C@H]2C)c(O)c1O	177670542	OBMDQPUJPJUOEF-NXEZZACHSA-N	265.309	1.656	10	20	CDCD	
CN1CCCc2cc(CNC(=O)[C@@H]3CCCN3)ccc21	113807457	QASWXKQCVVEOCQ-AWEZNQCLSA-N	273.380	1.437	10	20	CDCD	
CN(CCCC(=O)O)C(=O)c1cccc(O)c1O	125994358	IKFVHTWAIMMLBO-UHFFFAOYSA-N	253.254	1.035	10	20	CDCD	
COc1ccc(N2CCC(NC(=O)N(C)OC)CC2)cc1	185357733	PNEWZIMKFHZMCJ-UHFFFAOYSA-N	293.367	1.867	10	20	CDCD	
CCCOCC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	185389934	IGJAHLWBNQXHGI-JTQLQIEISA-N	267.325	1.572	10	20	CDCD	
O=C1OC[C@H]2CN(Cc3cc(F)ccc3O)CCN12	361053743	SMWLWRZDWGQCKK-LLVKDONJSA-N	266.272	1.168	10	20	CDCD	
CS(=O)(=O)[C@H]1CCN(Cc2cc(F)ccc2O)C1	282667124	HGGAJTSTFWFBSX-NSHDSACASA-N	273.329	1.150	10	20	CDCD	
CO[C@]1(CNCc2ccc3c(c2)CCO3)CCOC1	122934706	PHXFBLOSFKOZDI-HNNXBMFYSA-N	263.337	1.517	10	20	CDCD	
C[C@@H](NCC1(C(N)=O)CCOCC1)c1ccc(F)cc1O	185002619	MUZAGTMLYYJQSK-SNVBAGLBSA-N	296.342	1.464	10	20	CDCD	
C[C@@H](NC[C@]1(O)CCOC1)c1ccc(F)cc1O	186177659	JBDXYNPWDIBACM-NOZJJQNGSA-N	255.289	1.333	10	20	CDCD	
COc1cc(Cl)cc(CN2CCC[C@H](N)C2)c1O	229102542	YMMPRSILUBEASQ-NSHDSACASA-N	270.760	1.977	10	20	CDCD	
O=S(=O)(C[C@H]1CCCO1)Nc1ccc(O)cc1Cl	85205199	SLFYHMQDMAQNDP-SECBINFHSA-N	291.756	1.966	10	20	CDCD	
O=S(=O)(C[C@H]1CCCO1)Nc1ccc(O)c(Cl)c1	85204654	KUSDETFQXQRRLX-SECBINFHSA-N	291.756	1.966	10	20	CDCD	
COCCNCCNCc1ccc(N(C)C)cc1	228738297	JLORKUCGDLUOFZ-UHFFFAOYSA-N	251.374	1.078	10	20	CDCD	
CCN1CCCC[C@@H]1C(=O)NCc1ccccc1O	264219791	JSVRMOIBKZFPLE-CYBMUJFWSA-N	262.353	1.883	10	20	CDCD	
CC[C@@H](O)CCNC(=O)c1c(F)ccc(O)c1O	276520804	CRROSQBVIPHDDW-SSDOTTSWSA-N	257.261	1.128	10	20	CDCD	
CNc1nnc(CC(=O)NCc2ccccc2O)s1	273680249	KDADDUWLQJOCTL-UHFFFAOYSA-N	278.337	1.144	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NO[C@H]1CCCCO1	272432507	LKTFKAWLWPVKDS-DYLGSBMWSA-N	279.292	1.685	10	20	CDCD	
COC(=O)[C@]1(F)CCN(C(=O)c2ccc(C)c(O)c2O)C1	271309113	VCJISYFGVZNGFY-AWEZNQCLSA-N	297.282	1.133	10	20	CDCD	
Cc1ccc([C@H](C)NC[C@H](O)CN2CCCC2)c(O)c1	273369751	FSCPOAXBKDVYJQ-KBPBESRZSA-N	278.396	1.808	10	20	CDCD	
O=C(N[C@@H]1CCCC[C@H]1O)c1c(F)ccc(O)c1O	276508083	ARXQIVHZSUJTNV-RKDXNWHRSA-N	269.272	1.270	10	20	CDCD	
COCC[C@H](CO)N[C@@H](C)c1cc(F)ccc1O	281598990	MANQKYPXSJEWQQ-GXSJLCMTSA-N	257.305	1.579	10	20	CDCD	
CC(=O)C(=O)COC(=O)CCc1ccc(F)cc1	808492325	YPXKNJXCTFNJSW-UHFFFAOYSA-N	252.241	1.460	10	20	CDCD	
O=C(N[C@H]1CCO[C@@H](C2CC2)C1)c1c(F)ccc(O)c1O	296390792	UXJTUNKRZYTDPP-JOYOIKCWSA-N	295.310	1.924	10	20	CDCD	
C[C@H](N)[C@H]1COCC[C@@H]1NCc1ccc2c(c1)CCO2	817902294	MPNUGCOYAZZNAO-GLQYFDAESA-N	276.380	1.463	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)NCC[C@H]2CCNC2)c1	817955211	SMFANZUUKVSMOA-VXGBXAGGSA-N	292.379	1.829	10	20	CDCD	
CC[C@H](O)CNCc1ccc(N2CCN(C)CC2)cc1	817708668	BCZBOOMIPZFFSR-INIZCTEOSA-N	277.412	1.299	10	20	CDCD	
COC[C@@H](CCO)NCc1cc(Cl)c(C)cc1O	825292609	ZKOVSIIGTTYWKY-LLVKDONJSA-N	273.760	1.841	10	20	CDCD	
NC(=O)CN1C(=O)/C(=C/c2ccccc2F)SC1=S	727176934	UABRFOOJIUAHDC-UITAMQMPSA-N	296.348	1.512	10	20	CDCD	
Cc1ccc(C(=O)Nc2nc3n(n2)CCCC3)c(O)c1O	837198602	VFKSHQBKKGWRFQ-UHFFFAOYSA-N	288.307	1.586	10	20	CDCD	
Cc1n[nH]c(C)c1[C@@H](C)C(=O)NCc1ccc(O)cc1O	910953787	DXDMKEVZWSNKMJ-MRVPVSSYSA-N	289.335	1.858	10	20	CDCD	
C[C@H](N[C@H]1CCc2cccc(O)c21)[C@@H]1CN(C)CCO1	834685493	XNCVODUOSDWKDC-WHOFXGATSA-N	276.380	1.688	10	20	CDCD	
CNCCCN(Cc1ccccc1O)C[C@@H]1CCCO1	843356447	PYAUOFIPXIIREW-HNNXBMFYSA-N	278.396	1.983	10	20	CDCD	
COC[C@@H](C)CC(=O)N(CC(=O)O)Cc1ccccc1O	911483781	DUHKCZXSWCGWII-NSHDSACASA-N	295.335	1.478	10	20	CDCD	
Cc1noc(C)c1/C=C1/SC(N2CCOCC2)=NC1=O	747148163	OAUHGPVELGYLRR-YRNVUSSQSA-N	293.348	1.594	10	20	CDCD	
COC(=O)c1ccc(/C=C2\SC(=S)NC2=O)o1	745313922	ZVCAYVWVDWARGI-DAXSKMNVSA-N	269.303	1.555	10	20	CDCD	
Cc1cc(CN2CCOC[C@@H]2C(=O)O)ccc1N(C)C	846224894	CENWOUWJWHGVEZ-CQSZACIVSA-N	278.352	1.346	10	20	CDCD	
COCCC(=O)N(C)CCN(C)c1ccc(OC)cc1	844853213	CNAMDALFKYPIAJ-UHFFFAOYSA-N	280.368	1.626	10	20	CDCD	
COc1cc(O)c(CN[C@@H](C)C[C@H](C)N)cc1OC	843129904	TXNWOVDXNAOZIZ-UWVGGRQHSA-N	268.357	1.625	10	20	CDCD	
CCn1ccc(CC(=O)NCc2ccccc2O)n1	845832647	GDBHLQAEKVMZGS-UHFFFAOYSA-N	259.309	1.468	10	20	CDCD	
CC[C@@H]1CN(Cc2cc3c(cc2O)OC[C@@H]3O)[C@H](C)CO1	844733773	XSGFAEJORQVGHL-HCKVZZMMSA-N	293.363	1.817	10	20	CDCD	
CCN1C[C@@H](CNCc2ccc(OC)c(C)c2)CC1=O	846094426	TVTFCFCQZLAMRR-CQSZACIVSA-N	276.380	1.962	10	20	CDCD	
Nc1ccc(CC(=O)N[C@H]2C[C@@H](N)C23CCC3)cc1	1514645993	PBFSXRBFIBEEJK-OLZOCXBDSA-N	259.353	1.197	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NC[C@H]2CCN2C)c1	925432930	ZZSMTTDGEZRHIX-GFCCVEGCSA-N	263.341	1.204	10	20	CDCD	
O=C1NC(=S)S/C1=C\c1cc(O)ccc1[N+](=O)[O-]	751205383	CMDHHMBJLZKMTJ-YWEYNIOJSA-N	282.302	1.789	10	20	CDCD	
CN(C)c1ccc(CN[C@H](CO)CC(F)F)cc1F	758612587	GHQKQHYECZHCRW-JTQLQIEISA-N	276.302	1.997	10	20	CDCD	
C/C=C\COC(=O)c1cc(NS(C)(=O)=O)ccc1O	920636675	IDSXVSNCJUDADG-ARJAWSKDSA-N	285.321	1.497	10	20	CDCD	
CN1CCCC[C@@H](CNC(=O)NCc2ccccc2O)C1	858766596	PIQGRTZGWRVPAC-ZDUSSCGKSA-N	291.395	1.923	10	20	CDCD	
Cc1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2O)c(O)c1O	869923379	XTSINXNNAOHQHL-VXGBXAGGSA-N	279.336	1.782	10	20	CDCD	
CN(C)c1ccc(CNc2nnc(CCO)s2)cc1F	865295002	WNHBFRPGDSCXJG-UHFFFAOYSA-N	296.371	1.890	10	20	CDCD	
CC[C@@H](N[C@@H]1COC[C@@H]1O)c1cccc(Cl)c1O	866420602	QHQXPXMHBQELLV-UTUOFQBUSA-N	271.744	1.846	10	20	CDCD	
C[C@H]1CO[C@H](C)CN1Cc1cc2c(cc1O)OC[C@@H]2O	768441758	MHPBIVSSHMAISA-RBZYPMLTSA-N	279.336	1.427	10	20	CDCD	
CCOc1ccc(CN(C)[C@H]2CCCCNC2=O)c(O)c1	769202548	WJSHDBUPMCGHTJ-AWEZNQCLSA-N	292.379	1.891	10	20	CDCD	
C[C@@H]1CN(Cc2cc(F)c(N(C)C)cc2F)CC(=O)N1	862387216	IBUYLBCIAQCCPN-SECBINFHSA-N	283.322	1.351	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2C[C@H](O)C[C@@H]2C)c1O	775103447	XZMIYRPTVSLQHY-WCBMZHEXSA-N	282.296	1.264	10	20	CDCD	
Cc1ccc(CNC[C@@H]2COC3(CCOCC3)O2)c(O)c1	877141981	OAQHQCPKHOJHMP-CQSZACIVSA-N	293.363	1.712	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)NCCc1ccon1	779533150	AMLKMKBWQDLMLQ-RQOWECAXSA-N	274.276	1.458	10	20	CDCD	
O=C(N[C@H](CO)CC(F)(F)F)c1cc(O)cs1	778513202	YSEUSYRXOMPCCQ-YFKPBYRVSA-N	269.244	1.497	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)CON)cc1F	1121997213	CEQYBDZDVWYGDJ-UHFFFAOYSA-N	269.320	1.178	10	20	CDCD	
C[C@@H](OC(=O)c1cccc(O)c1O)C(=O)N1CCCCC1	784788179	QNBKAQLGTBAEAZ-SNVBAGLBSA-N	293.319	1.656	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N2C[C@@H]3C[C@@]3(CO)C2)cc1	782920056	YPTGSUWUDZPCBV-BBRMVZONSA-N	289.379	1.276	10	20	CDCD	
CNC(=O)N1CCN(Cc2cccc(Cl)c2O)CC1	271828953	OMIXEZCODFNIDA-UHFFFAOYSA-N	283.759	1.503	10	20	CDCD	
CN(C)c1ccc(CN2CCN(CCO)C(C)(C)C2)cc1	783715971	ZYVFBIIIHCQXKX-UHFFFAOYSA-N	291.439	1.641	10	20	CDCD	
COc1ccc(CN(C)Cc2cn[nH]c2)c(O)c1OC	892048733	BCEALGILCSTKRW-UHFFFAOYSA-N	277.324	1.765	10	20	CDCD	
COc1cc(C)cc(CN(C)CCNC(=O)N(C)C)c1O	894374222	FCZHFSONETZNDS-UHFFFAOYSA-N	295.383	1.412	10	20	CDCD	
CN(CC(=O)NC1CCOCC1)c1ccc(N)cc1	62769027	LJKIMBCWTBRBHM-UHFFFAOYSA-N	263.341	1.000	10	20	CDCD	
O=C(OCCO[C@H]1CCCCO1)c1cccc(O)c1O	792152816	YCPGRXCKOIDIQG-LBPRGKRZSA-N	282.292	1.798	10	20	CDCD	
COC[C@@H](CO)NCc1cc(Cl)cc(F)c1O	793324140	IHPVJRCNKDIXQO-SECBINFHSA-N	263.696	1.282	10	20	CDCD	
CN1C[C@H](COC(=O)/C=C/c2ccc(O)c(O)c2)OC1=O	1324492687	YPSZGNXHNKQWDZ-RXNUUUNCSA-N	293.275	1.105	10	20	CDCD	
CN(Cc1ccccc1O)c1nnc(C(C)(C)O)n1C	1339526167	HAWCMOZZYJKLEE-UHFFFAOYSA-N	276.340	1.385	10	20	CDCD	
Cc1ccc(C(=O)N2CC[C@@](F)(C(=O)O)C2)c(O)c1O	1600332731	KRPAPZMLMIPSMO-ZDUSSCGKSA-N	283.255	1.045	10	20	CDCD	
O=C(O)c1ccc(C(=O)N2Cc3cccc(O)c3C2)nc1	1602320729	HIFMCAKYWNZYMH-UHFFFAOYSA-N	284.271	1.641	10	20	CDCD	
Oc1c(Br)cc(Cl)cc1CNC1CNC1	1574440201	OKKFVYQSEZJJDY-UHFFFAOYSA-N	291.576	1.870	10	20	CDCD	
Nc1ccc(CNC(=O)c2cccc(F)c2N)cc1	1580445796	WHQNUVAPRDXVSV-UHFFFAOYSA-N	259.284	1.920	10	20	CDCD	
CC[C@H](CCO)N[C@H](C)c1cccc(-c2nn[nH]n2)c1O	1590439963	VCCGFEISZXWQIZ-NXEZZACHSA-N	291.355	1.384	10	20	CDCD	
C[C@@]1(C(=O)O)CCN(C(=O)c2c(F)ccc(O)c2O)C1	1593792503	GIKGKBICBFXJMZ-CYBMUJFWSA-N	283.255	1.174	10	20	CDCD	
C[C@H](NCCN1CCNC1=O)c1ccc(N(C)C)cc1	808748537	RNTOZIXYZMJIQP-LBPRGKRZSA-N	276.384	1.428	10	20	CDCD	
Cc1cccc(O)c1CNCCCCS(C)(=O)=O	877599171	YQBSVAZDQIQDTF-UHFFFAOYSA-N	271.382	1.615	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@H]1CC[C@H]1C(=O)O	397050486	KNYSROMFVAXUIR-WDEREUQCSA-N	263.293	1.461	10	20	CDCD	
CCNS(=O)(=O)CCNCc1cc(Cl)ccc1O	68980870	OZBUFFGJXDGRJI-UHFFFAOYSA-N	292.788	1.075	10	20	CDCD	
COc1cccc(CNCCN2CCOC(C)(C)C2)c1O	171766527	MYJABSNFDNOLCN-UHFFFAOYSA-N	294.395	1.601	10	20	CDCD	
COc1cc(O)c(CN[C@@H]2C[C@@H](O)C2(C)C)cc1OC	189965076	GOGZXZJZMHLZBR-ZIAGYGMSSA-N	281.352	1.658	10	20	CDCD	
COC1(CNCc2cc(C)ccc2O)CCOCC1	123195999	VJKBLHFNKQMWKH-UHFFFAOYSA-N	265.353	1.986	10	20	CDCD	
COc1ccc(O)c([C@@H](C)N[C@@H]2CC(=O)N(C3CC3)C2)c1	186088558	JIFLUXBPHOYLDW-GHMZBOCLSA-N	290.363	1.815	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)C[C@@H]1CCNC1	130808284	FNQKHTKEDZEZRP-ZDUSSCGKSA-N	275.396	1.677	10	20	CDCD	
CC[C@H]1C(=O)NCCN1Cc1ccc(N(C)C)c(F)c1	131220038	QDAMCNHJFLLSNL-ZDUSSCGKSA-N	279.359	1.602	10	20	CDCD	
COc1ccc(O)c(CNCCC[C@H](C)CO)c1	224939347	OXKUZRYFWCYYIY-NSHDSACASA-N	253.342	1.899	10	20	CDCD	
COc1cc(Cl)cc(CN[C@H]2C(=O)NCC[C@H]2C)c1O	195008151	RBTOWCASOPMXHD-PRHODGIISA-N	298.770	1.668	10	20	CDCD	
Cc1cc(O)c(CN2C[C@@H](C)O[C@@H](CO)C2)cc1C	249503711	XXPQXNFVORGERC-TZMCWYRMSA-N	265.353	1.591	10	20	CDCD	
COc1cc(N2C[C@@H](C)[C@H](CO)C2)c([N+](=O)[O-])cc1OC	276816559	SVQKVRBSAMADNS-ZJUUUORDSA-N	296.323	1.677	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H]2CCN3CCCC[C@@H]23)c(O)c1O	271324423	YBUXKGJDRPLKHW-OLZOCXBDSA-N	290.363	1.763	10	20	CDCD	
CN(CCNC(=O)c1c(F)ccc(O)c1O)C1CCCC1	276540857	GDDZLVFIJQAASO-UHFFFAOYSA-N	296.342	1.841	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)[C@H](C)O)cc1	276214552	KNIVTEILVOSDEO-NSHDSACASA-N	250.342	1.530	10	20	CDCD	
COC(=O)[C@H]1CC[C@@H](NC(=O)NCc2ccccc2O)C1	279421302	IOBSNGNBUGLAGV-CMPLNLGQSA-N	292.335	1.533	10	20	CDCD	
COCC[C@@H](CO)N[C@H](C)c1cc(C(=O)OC)ccc1O	281484378	FYMOYFMIEVQCHY-PWSUYJOCSA-N	297.351	1.227	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H](C)CCCCO)c(O)c1O	296418681	XTQSBPXXEGOQHR-JTQLQIEISA-N	267.325	1.687	10	20	CDCD	
COc1cccc(CNC(=O)NOCC2CC2)c1O	297205278	DPMNTDXROBMLTG-UHFFFAOYSA-N	266.297	1.542	10	20	CDCD	
O=C(c1cc(O)cs1)N1CC[C@H](n2cccn2)C1	812720227	ZMUMINDEJBVWAR-VIFPVBQESA-N	263.322	1.737	10	20	CDCD	
Cc1cc(O)c(CN2C[C@@H](CO)OC(C)(C)C2)cc1C	817412304	IOEHEQHSINSJSZ-AWEZNQCLSA-N	279.380	1.981	10	20	CDCD	
CCCn1cc(C(=O)N[C@H](C)c2ccccc2O)nn1	827941191	OXHHFQUBFQBLDH-SNVBAGLBSA-N	274.324	1.885	10	20	CDCD	
CCOC(=O)CC1(NCc2ccccc2O)CCOCC1	827758184	YUSISRFBXAMTSE-UHFFFAOYSA-N	293.363	1.984	10	20	CDCD	
C[C@H]1COC[C@@H]1NC(=O)c1c(F)ccc(O)c1O	900676765	IHFDQIUYLPOYKD-XPUUQOCRSA-N	255.245	1.002	10	20	CDCD	
CO[C@@H](CNC(=O)c1cc(O)cs1)C(F)(F)F	733367380	LGRRORPBAFFKCX-ZETCQYMHSA-N	269.244	1.761	10	20	CDCD	
CCOc1cccc(CN2CC[C@@H](C(=O)N(C)C)C2)c1O	840958856	VLOCVPSRDYYRIJ-CYBMUJFWSA-N	292.379	1.701	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)[C@H]1CCN1C1CCCC1	910942273	ATVVUXKYGTYABE-CQSZACIVSA-N	290.363	1.731	10	20	CDCD	
CCOc1ccc(O)c(CN[C@@H]2COC[C@H]2OC)c1	842752731	SXJMEWMJHFMENO-TZMCWYRMSA-N	267.325	1.294	10	20	CDCD	
CCC[C@@H](CCO)CNC(=O)c1cc(O)cs1	748377871	YBOQQVDWNZKCIM-VIFPVBQESA-N	257.355	1.982	10	20	CDCD	
CCOc1ccc(CN2CC[C@]3(CCNC3)C2)c(O)c1	843120842	WQQGMOATMXXJPU-INIZCTEOSA-N	276.380	1.976	10	20	CDCD	
C[C@H](NC(=O)N[C@H](C)C(=O)O)c1ccc(N(C)C)cc1	929044388	MJBZLWYSIMIRBL-VHSXEESVSA-N	279.340	1.586	10	20	CDCD	
COCCOC[C@@H](C)NC(=O)NCCc1ccc(N)cc1	841837059	NMJZKBGNEGLFFA-GFCCVEGCSA-N	295.383	1.162	10	20	CDCD	
CCNC(=O)[C@H](C)NCc1cc(F)c(N(C)C)cc1F	858087964	NQEJYESBTVREMP-VIFPVBQESA-N	285.338	1.645	10	20	CDCD	
CC[C@H](NCCN1CC[C@H](O)C1)c1ccccc1O	858602402	YJQSJHWTQCSTOA-JSGCOSHPSA-N	264.369	1.500	10	20	CDCD	
CN(Cc1ccccc1O)S(=O)(=O)C1(C)CC1	696353485	HNVBXQXHABCUDX-UHFFFAOYSA-N	255.339	1.706	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@]2(O)CCSC2)c1	862758104	OQEUMNBDGBSCQT-ZDUSSCGKSA-N	267.350	1.185	10	20	CDCD	
COCCOCCNC(=O)N[C@H](C)c1ccccc1O	868144956	FWJNBHBLEZYCML-LLVKDONJSA-N	282.340	1.415	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)c2cn(C)c(C)cc2=O)c1	862756377	WHLMLNFKKMEWSC-UHFFFAOYSA-N	286.331	1.638	10	20	CDCD	
C[C@@H]1CN(Cc2ccc(N3CCOCC3)c(F)c2)CCO1	768232178	ZCXMLTBCFDENSC-CYBMUJFWSA-N	294.370	1.883	10	20	CDCD	
CNC(=O)[C@H]1CCC[C@H]1NCc1cc([N+](=O)[O-])ccc1O	765798971	WTDFWOLKRBFOMY-NWDGAFQWSA-N	293.323	1.305	10	20	CDCD	
CC1(O)CCC(NC(=O)/C=C/c2ccc(O)c(O)c2)CC1	779531241	VAHJSCBYKXRUND-HWKANZROSA-N	291.347	1.921	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@H]2CCOC(=O)N2)cc1F	1118811569	CMEDYLWPQWCYAP-LLVKDONJSA-N	295.314	1.006	10	20	CDCD	
Cc1nn(C)cc1CNC(=O)/C=C/c1ccc(O)c(O)c1	773883258	CRIUDWHAIOPMHO-GQCTYLIASA-N	287.319	1.469	10	20	CDCD	
C[C@@H](NC(=O)c1ccnn1C)c1ccc(N(C)C)cc1	773009118	PDXUZHHTFKCJDI-LLVKDONJSA-N	272.352	1.977	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@@H]2CCO[C@H](C)C2)c1	776475969	ITASSHUCPZETGI-GHMZBOCLSA-N	279.336	1.832	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCC=CO1	773755382	AEGMHHKATDIXQT-QMTHXVAHSA-N	277.320	1.838	10	20	CDCD	
O=C(CCn1ccnc1)NCc1ccc(O)c(O)c1	778914778	LTMIMAWKHJUFHK-UHFFFAOYSA-N	261.281	1.001	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N2C[C@H]3C[C@H]3C2)cc1	887634415	QHMKVTJMXYERGO-BETUJISGSA-N	259.353	1.914	10	20	CDCD	
COc1ccccc1NC[C@H](O)CN(C)C1CC1	386002765	UCCCHXATQNTYPZ-LBPRGKRZSA-N	250.342	1.562	10	20	CDCD	
C[C@@H]1C[C@H](C(=O)OCC(=O)c2ccc(O)c(O)c2)CO1	784875457	MACIDCGNKNZXHL-SCZZXKLOSA-N	280.276	1.249	10	20	CDCD	
Cc1ccc(C(=O)NCCCN2CCCC2)c(O)c1O	780855353	JBGZFKUQBLKHBH-UHFFFAOYSA-N	278.352	1.622	10	20	CDCD	
Cc1cc(O)c(CN2C[C@H](O)C[C@@]2(C)CO)cc1Cl	895326210	VZWLMOBAKHAJKE-RISCZKNCSA-N	285.771	1.672	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CC[C@@H]2OCCC[C@@H]2C1	187197411	RMWAHIGHTICOEZ-MFKMUULPSA-N	277.320	1.739	10	20	CDCD	
CN(CCCn1ccnc1)C(=O)c1cccc(O)c1O	187196460	DACFHEKGVUKWDF-UHFFFAOYSA-N	275.308	1.457	10	20	CDCD	
CCn1cc(CNCc2cc(F)cc(F)c2O)nn1	708481716	UCYNTRKRLZGFTL-UHFFFAOYSA-N	268.267	1.572	10	20	CDCD	
COC/C=C/C(=O)NCc1ccc(N2CCOCC2)cc1	791336217	MFLBVGVGAKBOPF-NSCUHMNNSA-N	290.363	1.342	10	20	CDCD	
CCn1cc(S(=O)(=O)Nc2ccc(O)cc2F)nc1C	70333335	YIFJYJQRAVRWKF-UHFFFAOYSA-N	299.327	1.857	10	20	CDCD	
C[C@H](N[C@H]1CCC(=O)NC1=O)c1ccc(N(C)C)cc1	89752070	RDTRPYAQZIMGHC-GWCFXTLKSA-N	275.352	1.208	10	20	CDCD	
CCOc1ccc(N2CCN([C@H](C)C(N)=O)CC2)cc1	1320233965	XSDNRRUAGXMZDT-GFCCVEGCSA-N	277.368	1.081	10	20	CDCD	
CN[C@H](C)CCNC(=O)N(C)Cc1ccc(N(C)C)cc1	1331466517	LUXPHWYEBCREAT-CYBMUJFWSA-N	292.427	1.892	10	20	CDCD	
Nc1ccc(CNC(=O)NC[C@H]2CCCS2)cc1	1337014902	FLXMONIBLOILHM-GFCCVEGCSA-N	265.382	1.964	10	20	CDCD	
COC(=O)[C@@H]1C[C@@H](OC)CCN1Cc1ccc(N)cc1	1335289577	PATGALVOQDQYPM-KBPBESRZSA-N	278.352	1.421	10	20	CDCD	
CCn1nc(C)c(C(=O)NCc2cccc(O)c2O)c1C	1349080023	WXFICGBRSGMXNF-UHFFFAOYSA-N	289.335	1.861	10	20	CDCD	
O[C@@]1(CNCc2ccc(N3CCCC3)cc2)CCOC1	229642096	DMCFITORVLALRR-MRXNPFEDSA-N	276.380	1.528	10	20	CDCD	
CC(C)N(C)CC(=O)NCCc1ccc(O)c(O)c1	156729456	YJHQPDUICQLESI-UHFFFAOYSA-N	266.341	1.097	10	20	CDCD	
O=S1(=O)CC[C@H](CNCc2ccc3c(c2)CCCO3)C1	921500623	FPNBHNGHYMHTQJ-CYBMUJFWSA-N	295.404	1.536	10	20	CDCD	
Cc1ccc(O)c([C@H](C)NCCS(=O)(=O)C2CC2)c1	840882312	IQFZQFMGTZIPNU-NSHDSACASA-N	283.393	1.928	10	20	CDCD	
CCN(CC(=O)N(C)C)Cc1ccc(C)cc1O	876577728	LUOUBNUYDBCFLS-UHFFFAOYSA-N	250.342	1.611	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CNC1CC1	37495213	BJVOSILBUCQWLR-UHFFFAOYSA-N	261.369	1.463	10	20	CDCD	
CCOc1cccc(CNCC2(S(C)(=O)=O)CC2)c1O	279647881	KARBXAUGCDIPCC-UHFFFAOYSA-N	299.392	1.458	10	20	CDCD	
COc1ccc(O)c(CNCC2(S(C)(=O)=O)CC2)c1	279954969	ZVZHMVQCKAKAEJ-UHFFFAOYSA-N	285.365	1.068	10	20	CDCD	
Cc1ccc([C@@H](C)NCC(=O)NCC(F)F)c(O)c1	280812554	JJALZIHCXCBPIQ-SECBINFHSA-N	272.295	1.733	10	20	CDCD	
COc1cccc(CNC(=O)c2cc(C)nn2C)c1O	105650202	CXANOIHGJRKQPZ-UHFFFAOYSA-N	275.308	1.373	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)C1=COCCO1	115280774	QROOUOZQRVRGRU-UHFFFAOYSA-N	276.336	1.565	10	20	CDCD	
CC(C)[C@@](C)(O)CNC(=O)NCc1ccc(N(C)C)cc1	304049523	KJHFUOFYVWOGDR-INIZCTEOSA-N	293.411	1.959	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H](CCO)c2ccco2)c(O)c1O	183824949	XSGFVIIUMDTOTC-NSHDSACASA-N	291.303	1.853	10	20	CDCD	
CC(C)CS(=O)(=O)CC(=O)N(C)Cc1ccccc1O	77258420	HHKOFBJCWBLKMH-UHFFFAOYSA-N	299.392	1.421	10	20	CDCD	
CCN(Cc1cc(F)ccc1O)[C@@H]1CCNC1=O	281905229	ZMFUMJBOZDXVHP-LLVKDONJSA-N	252.289	1.242	10	20	CDCD	
CN(C)c1ccc(CNS(=O)(=O)c2c[nH]cn2)cc1F	121825449	WKWCJWYZRHTZCQ-UHFFFAOYSA-N	298.343	1.093	10	20	CDCD	
CCNC(=O)CN(CC)C(=O)/C=C/c1ccc(O)c(O)c1	180686046	XXLGWLTVDDGGJC-SOFGYWHQSA-N	292.335	1.096	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)CNC(=O)NC	89569388	MHBCDTMFKVADBB-UHFFFAOYSA-N	292.383	1.030	10	20	CDCD	
COC[C@@H](CNCc1cc(OC)ccc1O)OC	227717495	MGSVMPQVCOZYGC-GFCCVEGCSA-N	255.314	1.152	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)CNC2CC2)c1	237208182	FULKGIREVSOSRM-SECBINFHSA-N	264.325	1.330	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1cc[n+]([O-])cc1	266338198	LMNXXQYOHNMINB-UHFFFAOYSA-N	299.330	1.425	10	20	CDCD	
COC(=O)C[C@H]1CCCN1C(=O)c1cccc(O)c1O	279882090	RUZJPYZUGKRPRV-SECBINFHSA-N	279.292	1.266	10	20	CDCD	
CC(C)n1nccc1C(=O)NCc1ccc(O)c(O)c1	272332699	NAFSZCJLFRMBQD-UHFFFAOYSA-N	275.308	1.805	10	20	CDCD	
COCCCN(CCO)Cc1cc(OC)c(OC)cc1O	276014316	QIIBUWXTUICOBM-UHFFFAOYSA-N	299.367	1.240	10	20	CDCD	
Cc1cccc(CN2C[C@@H](N3CCOCC3)C[C@@H]2C)c1O	289537613	HWICPJDQFXMRIF-HOCLYGCPSA-N	290.407	1.996	10	20	CDCD	
O=C(NCCCOC(F)F)c1cc(O)cs1	802653109	XYNYYCRDIZWWGN-UHFFFAOYSA-N	251.254	1.813	10	20	CDCD	
CC(=O)C(=O)CN1C(=O)[C@H](C)N(c2ccc(F)cc2)C1=O	808016788	VWTZJQIWCLMZRT-QMMMGPOBSA-N	292.266	1.141	10	20	CDCD	
Cc1sccc1C=C1C(=O)N(C)C(=O)N(C)C1=O	296004741	STUNTJQVYZFWDP-UHFFFAOYSA-N	264.306	1.490	10	20	CDCD	
Cc1cccc(-n2c(C)cc(C(=O)N(C)CC(N)=O)c2C)c1	298489880	JBJDFPKWHLKAEG-UHFFFAOYSA-N	299.374	1.960	10	20	CDCD	
Cn1cc(/C=C\C(=O)N2C[C@H](N)Cc3ccccc32)cn1	818019418	DVWSNLOBTYBUMF-LMVHVUTASA-N	282.347	1.350	10	20	CDCD	
C[C@@H](NC[C@H]1CNCCCO1)c1cc([N+](=O)[O-])ccc1O	817980859	FBOPDOODSKXVCE-ZYHUDNBSSA-N	295.339	1.330	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)C[C@H]1COCCN1	829764412	KMSDNGVFFXRDOH-AWEZNQCLSA-N	291.395	1.056	10	20	CDCD	
Cc1cc(C(=O)N[C@@H]2COC(=O)C2)c(C)n1-c1ccccn1	820070855	YXMPNXZOKWOLKC-LBPRGKRZSA-N	299.330	1.534	10	20	CDCD	
COc1ccc(O)c(CNC(=O)CCc2ccon2)c1	830543726	CMYZTOZXEGEWIQ-UHFFFAOYSA-N	276.292	1.638	10	20	CDCD	
C[C@H]1CC[C@H](CNC(=O)c2c(F)ccc(O)c2O)O1	839792004	FQGOTZPTFHMFCY-JGVFFNPUSA-N	269.272	1.534	10	20	CDCD	
CCOC(=O)[C@H](C)[C@@H](C)NC(=O)Nc1ccc(N)cc1	841297193	NHIOEYCXVCDVDI-NXEZZACHSA-N	279.340	1.978	10	20	CDCD	
CC(C)[C@@H](N)CNCc1ccc(N2CCOCC2)c(F)c1	841031146	XCWWYAXCTMPKBQ-HNNXBMFYSA-N	295.402	1.735	10	20	CDCD	
COc1cc(O)c(CN2CC[C@H](CN)C2)cc1OC	843048305	IFXMTJVSKBFYPQ-SNVBAGLBSA-N	266.341	1.190	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)N[C@H](C)CN	841970571	ATNDTZFAUVNMEA-LLVKDONJSA-N	265.357	1.661	10	20	CDCD	
Oc1ccc(Cl)c(F)c1CN1CC[C@@H]2CNC[C@@H]21	841026648	NIELHDQRHJUYQH-KCJUWKMLSA-N	270.735	1.978	10	20	CDCD	
N[C@@H](CNCc1cc(Br)ccc1O)C1CC1	841049343	KJDYSPLBRRGBCA-NSHDSACASA-N	285.185	1.982	10	20	CDCD	
CC(C)(N)CNCc1cccc(Br)c1O	841031571	WQGIZJIRYLFPMR-UHFFFAOYSA-N	273.174	1.982	10	20	CDCD	
NC[C@H]1CN(Cc2cc(Cl)cc(F)c2O)CCO1	843065327	KSVCKBJETMDVAD-JTQLQIEISA-N	274.723	1.344	10	20	CDCD	
CCC[C@@H](O)[C@@H](CO)NCc1ccc2c(c1)CCCO2	922183268	QHMKFVLZMCWAAD-HUUCEWRRSA-N	279.380	1.623	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)CCc1cnc[nH]1	935948586	PHDWXWKVHKNHLP-UHFFFAOYSA-N	294.351	1.850	10	20	CDCD	
COc1cc(O)c(CNC[C@H]2CCCN2C)cc1OC	862473402	PKEFTOOLGMNQJG-GFCCVEGCSA-N	280.368	1.593	10	20	CDCD	
CCOC(=O)N1CC[C@H](NCc2c(O)cccc2OC)C1	769935735	QBRIHGARBJWXCF-NSHDSACASA-N	294.351	1.721	10	20	CDCD	
COC[C@H]1CCCN(Cc2cc3c(cc2O)OC[C@H]3O)C1	768446398	JZYYUDAOBIQNQW-XHDPSFHLSA-N	293.363	1.676	10	20	CDCD	
COc1cccc(O)c1CNCc1nnnn1CC1CC1	769936508	LHVGFBLMMGCGKU-UHFFFAOYSA-N	289.339	1.087	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)NC[C@H]2C[C@H](N)C2)c1	873258604	SESVYALTGJQADY-NHCYSSNCSA-N	278.352	1.567	10	20	CDCD	
CC1(NC(=O)NCc2ccc(N3CCOCC3)cc2)CC1	1116092655	XJTOSKXJSXFDBZ-UHFFFAOYSA-N	289.379	1.875	10	20	CDCD	
CCCOc1ccc(CNC[C@@]2(O)CCN(C)C2)cc1C	873107770	QICRSVPKJUOVKO-KRWDZBQOSA-N	292.423	1.940	10	20	CDCD	
Cc1ccnn1CC(=O)NCCc1ccc(N)cc1	876527797	MCAAYOJFRPGLGE-UHFFFAOYSA-N	258.325	1.133	10	20	CDCD	
C[C@@H](NC(=O)[C@H]1CCN(C)C1)c1ccc(N(C)C)cc1	773010387	UJITUGAKAPEPEI-OCCSQVGLSA-N	275.396	1.882	10	20	CDCD	
COc1ccc(CNC(=O)[C@H]2CC[C@@H](N)CC2)c(O)c1	870931773	MRHLVHHHAZVZTH-KLPPZKSPSA-N	278.352	1.535	10	20	CDCD	
COc1ccc2c(c1)CCCN2CN1CC(=O)N(C)C1=O	776202016	MZVAUYHXYFSLEB-UHFFFAOYSA-N	289.335	1.299	10	20	CDCD	
CCOC(=O)CN(C)C(=O)/C=C\c1ccc(O)c(O)c1	779503425	OBSHNAQUVMAMDK-ALCCZGGFSA-N	279.292	1.133	10	20	CDCD	
COC[C@H](NC(=O)c1ccc(C)c(O)c1O)C(C)C	780955022	SLJAOHQZRPNXOO-NSHDSACASA-N	267.325	1.807	10	20	CDCD	
COC[C@@H](C)CNCc1ccc(OC)c(OC)c1O	892733539	WJOFRAWVEMOJBY-JTQLQIEISA-N	269.341	1.782	10	20	CDCD	
Cc1ccc(C(=O)N2CCC[C@@H]([C@H](C)O)C2)c(O)c1O	780985819	HIOYKKMQTRZQIK-WDEREUQCSA-N	279.336	1.639	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NCCN2CC[C@@H](C)C2)c1	897466389	SYYVFKPAONPXOJ-CYBMUJFWSA-N	291.395	1.842	10	20	CDCD	
OC[C@@H]1CCCCCN1Cc1cc2c(cc1O)OCO2	895151907	MYKDKZNAELBUMH-LBPRGKRZSA-N	279.336	1.858	10	20	CDCD	
COc1ccc(CNCCNC(=O)CCN(C)C)cc1C	1133288506	YOVCIISFKGKNCR-UHFFFAOYSA-N	293.411	1.161	10	20	CDCD	
Cc1cc(O)c(CN2C[C@@H](O)C[C@H](C(=O)O)C2)cc1Cl	1607698754	FFNAHQQYLQFSDG-QWRGUYRKSA-N	299.754	1.621	10	20	CDCD	
O=C(O)[C@H](C[C@@H]1CCCO1)NCc1ccccc1O	1601640376	BOCSAICTYWYKEY-RYUDHWBXSA-N	265.309	1.504	10	20	CDCD	
COc1cccc(CN[C@H](C)C(=O)NC(C)C)c1O	228943645	AYHPKPBYYXOVNR-SNVBAGLBSA-N	266.341	1.404	10	20	CDCD	
COc1ccc(CN(C)C[C@H](C)C(=O)O)c(O)c1OC	1594091945	AEBUZNUQOODFJV-VIFPVBQESA-N	283.324	1.562	10	20	CDCD	
C[C@@H](NCCn1cc(C(=O)O)nn1)c1ccccc1O	1593286902	ZMOBDEAYNMVQBD-SECBINFHSA-N	276.296	1.033	10	20	CDCD	
C[C@H](Sc1ncc(C(=O)O)s1)C(=O)NC1CC1	1593679790	PCEBZDXXWMOEBY-YFKPBYRVSA-N	272.351	1.601	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)NCC(C)(C)CO	154255461	MZZYHWSDFHXAJA-UHFFFAOYSA-N	293.411	1.879	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCCNC1=O	209253978	CRWOPFAYZGMXHC-CQSZACIVSA-N	289.379	1.237	10	20	CDCD	
O=C(O)COCCNCc1ccc2c(c1)CCCO2	900038306	OYMAFIUKEBIDGL-UHFFFAOYSA-N	265.309	1.202	10	20	CDCD	
CC(C)COCCCNC(=O)Cc1ccc(N)cc1	37468805	NQZXWHNOJDYXJZ-UHFFFAOYSA-N	264.369	1.990	10	20	CDCD	
CS(=O)(=O)C1(CNCc2c(O)cccc2Cl)CC1	279869032	TUUUWKASKZQQHZ-UHFFFAOYSA-N	289.784	1.712	10	20	CDCD	
CC[C@]1(NCc2cc3c(cc2O)OCO3)CCOC1	378803816	VQFSOWKBJSOTFK-AWEZNQCLSA-N	265.309	1.780	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)CS(=O)(=O)CC	170731729	OQIGOMQUOFQHOH-UHFFFAOYSA-N	299.392	1.566	10	20	CDCD	
CN(CC(=O)NC1CC1)Cc1c(O)cccc1Cl	120349947	FJHLGEDSWWHQJI-UHFFFAOYSA-N	268.744	1.756	10	20	CDCD	
CC[C@H](CCO)CNC(=O)c1cccc(O)c1O	126633421	HHNHNLMUTVVEAQ-SECBINFHSA-N	253.298	1.236	10	20	CDCD	
CN1C[C@H](NCc2cc(Br)ccc2O)CC1=O	263706494	HBXDMYVNYPTPMD-SNVBAGLBSA-N	299.168	1.475	10	20	CDCD	
CC(C)(CNCc1cccc(Cl)c1O)OCCO	289985741	BVVRNILSWVQYBQ-UHFFFAOYSA-N	273.760	1.923	10	20	CDCD	
CC1(C)[C@@H](O)C[C@H]1NC(=O)/C=C/c1ccc(O)c(O)c1	190488630	GUUXHIBJHNZMDU-PBYRWIMMSA-N	277.320	1.387	10	20	CDCD	
O=C(C[C@@H]1CSCCS1)NCc1ccc(O)c(O)c1	272335139	NJERPQNLFMFTNO-SNVBAGLBSA-N	299.417	1.953	10	20	CDCD	
O=C(NCc1ccccc1O)C(F)(F)C1(O)CCCC1	285302791	OWKZGXVSPJPCDO-UHFFFAOYSA-N	285.290	1.949	10	20	CDCD	
Cc1cc(O)c(CN2CC[C@H](CC(N)=O)C2)cc1C	377188628	AIVOUXUWKFPWDG-GFCCVEGCSA-N	262.353	1.706	10	20	CDCD	
COc1cc(O)c(CN2CCC[C@](F)(CO)C2)cc1OC	289968666	YYIQRPZJLYTKEG-OAHLLOKOSA-N	299.342	1.706	10	20	CDCD	
CO[C@H](CNCc1cc([N+](=O)[O-])ccc1O)C1CC1	293145655	UOUIJMMUBBAVGQ-CYBMUJFWSA-N	266.297	1.815	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@](C)(O)C2CCC2)cc1	813375280	PXBKJJVPLBCSOW-MRXNPFEDSA-N	276.380	1.920	10	20	CDCD	
CN(C)C1CCC(NC(=O)c2c(F)ccc(O)c2O)CC1	817770483	UJLUHZZKJFIOGY-UHFFFAOYSA-N	296.342	1.840	10	20	CDCD	
O=S(=O)(CCOCC(F)(F)F)Nc1ccc(O)cc1	811675382	QBCYKSCKEMFNRN-UHFFFAOYSA-N	299.270	1.713	10	20	CDCD	
CCOCC(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1	819578488	NBRXCRIUJHMTFL-ZDUSSCGKSA-N	292.379	1.674	10	20	CDCD	
CNCCCN[C@H](C)c1ccc(N2CCOCC2)c(F)c1	817939892	HVEIMQINMCQXOJ-CYBMUJFWSA-N	295.402	1.922	10	20	CDCD	
OCC1(O)CCN(Cc2c(O)cccc2Cl)CC1	827147158	MWPKSJMZKMMQBJ-UHFFFAOYSA-N	271.744	1.365	10	20	CDCD	
CN(C(=O)/C=C\c1cnccn1)c1ccccc1C(=O)O	737312557	DSPZWDVLKWBKTJ-SREVYHEPSA-N	283.287	1.851	10	20	CDCD	
CC1=C(C(=O)NCc2ccc(O)cc2O)C(=O)OC1(C)C	828912065	OHAFDXPBRXTIFZ-UHFFFAOYSA-N	291.303	1.366	10	20	CDCD	
CCOc1ccc(O)c(CN2CCOC[C@@H]2C(=O)O)c1	833663105	PNISLGQUWIZMTK-GFCCVEGCSA-N	281.308	1.076	10	20	CDCD	
C[C@H](Cc1cnn(C)c1)C(=O)NCc1ccccc1O	837480632	JWIZVMGMDCSKHQ-LLVKDONJSA-N	273.336	1.621	10	20	CDCD	
CCc1cccc(CN(CCO)CCCOC)c1O	848906793	ZPHCPYVEQIWQKG-UHFFFAOYSA-N	267.369	1.785	10	20	CDCD	
CC(C)[C@@H](N)CNCc1cc2c(cc1O)OCO2	841028147	BQYJRHTYKGVMMO-JTQLQIEISA-N	252.314	1.194	10	20	CDCD	
CCOc1ccc(O)c(CN2CC[C@H]([C@@H](C)N)C2)c1	843057539	JNURRONSTUCQRI-NEPJUHHUSA-N	264.369	1.960	10	20	CDCD	
O=C(c1cc(O)cs1)N1CC[C@@H]2OCC[C@@H]2C1	844147032	UNZXEOIHXGTEQB-SCZZXKLOSA-N	253.323	1.705	10	20	CDCD	
Cc1cc(CN(C)CCOCCN)ccc1N(C)C	923403086	NYFPICPPZWSKPE-UHFFFAOYSA-N	265.401	1.468	10	20	CDCD	
CCn1cc(S(=O)(=O)NCCc2ccc(N)cc2)cn1	842822710	JNOJSYUJQZJCEM-UHFFFAOYSA-N	294.380	1.006	10	20	CDCD	
CO[C@H](C1CC1)[C@H](C)NC(=O)NCCc1ccc(N)cc1	841912559	LROTZBYLPCCHFE-NHYWBVRUSA-N	291.395	1.924	10	20	CDCD	
CNC[C@@H](C)NCc1cc(Cl)cc([N+](=O)[O-])c1O	853249559	REVFGRPCOIEMKK-SSDOTTSWSA-N	273.720	1.651	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC[C@H](O)CN(C)C(C)C)c1	851900172	QLRWOVWOBIGQRP-STQMWFEESA-N	296.411	1.753	10	20	CDCD	
CCOC(=O)[C@@H](C)NC(=O)c1ccc(C)c(O)c1O	751533870	DMVDFTVBKGSFOP-MRVPVSSYSA-N	267.281	1.088	10	20	CDCD	
COc1cccc(O)c1CN1CCC(C)(CO)CC1	762790837	JLSTWITZOIPXEX-UHFFFAOYSA-N	265.353	1.995	10	20	CDCD	
CCOc1ccc(CN2CC[C@@](C)(O)C2)c(O)c1	769541640	FBEQQDXINLGANC-CQSZACIVSA-N	251.326	1.748	10	20	CDCD	
CC(C)[C@H]1CN(C(=O)c2cc(O)cs2)CCO1	778515773	SYHDPAYIXFJWIG-SNVBAGLBSA-N	255.339	1.951	10	20	CDCD	
COC[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C(C)C	779526268	WWJPVJPGPFNYLM-HOSRBBHYSA-N	279.336	1.898	10	20	CDCD	
Cc1cccc(O)c1CNC1CCN(CCN(C)C)CC1	876926548	YNTVHROPEBXDSY-UHFFFAOYSA-N	291.439	1.816	10	20	CDCD	
Cc1ccc(C(=O)N2CC[C@@H](O)[C@H](C)C2)c(O)c1O	779270601	YCNHZFNGTISDKN-MWLCHTKSSA-N	265.309	1.249	10	20	CDCD	
COc1cc(O)c(CN[C@H]2CCN(C)[C@H](C)C2)cc1OC	776222587	GCCHQJDSNPIZTF-YPMHNXCESA-N	294.395	1.982	10	20	CDCD	
Cc1ccncc1C(=O)OCC(=O)c1ccc(O)c(O)c1	785886614	YJEOAQGSFUJQJW-UHFFFAOYSA-N	287.271	1.841	10	20	CDCD	
CN(C)c1ccc(CNc2c(C#N)cnn2C)cc1	83410727	QPWBPIWBAZUUHA-UHFFFAOYSA-N	255.325	1.970	10	20	CDCD	
O=S(=O)(Nc1ccc(O)c(Cl)c1)N1CCCC1	85204612	WHYDYQOIGOJMMN-UHFFFAOYSA-N	276.745	1.798	10	20	CDCD	
COc1cc(C)cc(CNCCC[S@](C)=O)c1O	894284240	KWRSPBRLLXDHSY-SFHVURJKSA-N	271.382	1.567	10	20	CDCD	
Cn1ccc(NC(=O)c2c(F)ccc(O)c2O)n1	789948738	DFXWGSKLVLEKQV-UHFFFAOYSA-N	251.217	1.223	10	20	CDCD	
CCOC(=O)[C@H](C)NCc1ccc(OC)c(OC)c1O	893950482	JGCNYGFICVJADM-VIFPVBQESA-N	283.324	1.451	10	20	CDCD	
CO[C@H]1C[C@@H](NC(=O)c2ccc(C)c(O)c2O)C1(C)C	780963330	AIXRBLJPRZOAPC-MNOVXSKESA-N	279.336	1.950	10	20	CDCD	
O=C(COC(=O)c1nccs1)c1ccc(O)c(O)c1	785017812	IQFVBMHRTOJBAP-UHFFFAOYSA-N	279.273	1.594	10	20	CDCD	
COc1ccc(CNC(=O)NC[C@@]2(C)CCCO2)c(O)c1	792992727	MRKVGSGXFXNXRV-OAHLLOKOSA-N	294.351	1.769	10	20	CDCD	
CCN(CCC(=O)OC)Cc1ccc(OC)c(OC)c1O	891776233	YJZHSOALYZVQTF-UHFFFAOYSA-N	297.351	1.794	10	20	CDCD	
C[C@@H](CNCc1cc(F)cc(F)c1O)S(C)(=O)=O	708535248	KNRMDLHTBQUWID-ZETCQYMHSA-N	279.308	1.193	10	20	CDCD	
C[C@@H](OC(=O)c1cc(O)cs1)c1nnnn1C1CC1	791383916	ZIWBHLTTXNFZJP-ZCFIWIBFSA-N	280.309	1.693	10	20	CDCD	
COC(=O)[C@H](C)NC1CCN(c2ccc(OC)cc2)CC1	793182577	LIFGBKCKFPCUAU-LBPRGKRZSA-N	292.379	1.815	10	20	CDCD	
CCOc1cccc(CN2CC[C@H](CCN)C2)c1O	723699526	TVXRGCITIQVJIB-LBPRGKRZSA-N	264.369	1.962	10	20	CDCD	
Cc1ccc(C(=O)OC[C@H](O)C(C)C)c(O)c1O	1327117042	RHQMAJGIZMTFBB-JTQLQIEISA-N	254.282	1.580	10	20	CDCD	
COc1ccc(CNC[C@@](C)(O)C2CC2)c(O)c1OC	1262360399	FPQGAWWKFCFBTD-OAHLLOKOSA-N	281.352	1.660	10	20	CDCD	
O=C(O)[C@H](NCc1ccccc1O)[C@H]1CCCOC1	1350610112	DCNAAYIRTQZUJC-WCQYABFASA-N	265.309	1.362	10	20	CDCD	
CC(=O)c1cc(F)cc(CN[C@H](CO)C(C)C)c1O	156370155	SSEDHIBBZUPVHT-CYBMUJFWSA-N	269.316	1.840	10	20	CDCD	
NCCCSCCC(=O)Nc1ccc(N)cc1	911659869	GEEUCPDLXKVTBX-UHFFFAOYSA-N	253.371	1.679	10	20	CDCD	
CC(C)(C(=O)NCc1cccc(O)c1O)c1cnc[nH]1	1520509169	RIYQHJIDLAJYLR-UHFFFAOYSA-N	275.308	1.415	10	20	CDCD	
O=C(O)/C=C\c1ccc(N2CC(C(=O)O)C2)c([N+](=O)[O-])c1	1608660958	HKJINJFNDDJCOU-RQOWECAXSA-N	292.247	1.213	10	20	CDCD	
CC[C@](C)(CC(=O)O)NC(=O)c1cc(O)cs1	1604901651	NYOGLHDYWHITQN-LLVKDONJSA-N	257.311	1.827	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NC[C@H]2C[C@H]2C(=O)O)c1	1600465068	PHACSSTURZCHMY-MWLCHTKSSA-N	278.308	1.221	10	20	CDCD	
Cc1ccc(O)c(CNc2cnn(CC(=O)O)c2C)c1	1600466458	ABBSVFIZJSIIPL-UHFFFAOYSA-N	275.308	1.902	10	20	CDCD	
C[C@@H]1C[C@H](C(=O)O)CN(C(=O)Cc2ccc(O)c(O)c2)C1	1589269103	PVICPTCMVJIWNZ-KOLCDFICSA-N	293.319	1.210	10	20	CDCD	
CC[C@H](NCc1ccc(N2CC[C@@H](O)C2)cc1)C(=O)O	1776721899	WBDSJNLWXOXZGZ-KGLIPLIRSA-N	278.352	1.210	10	20	CDCD	
CCC[C@@H](O)CCNC(=O)c1cccc(O)c1O	832666210	BICSWJVTRXSUSR-SECBINFHSA-N	253.298	1.379	10	20	CDCD	
COc1cccc(O)c1CNCCS(=O)(=O)C1CC1	840963630	BEJVQONTPZOFGJ-UHFFFAOYSA-N	285.365	1.068	10	20	CDCD	
O[C@H](CNCc1ccc2c(c1)CCO2)c1ccccn1	853099185	SHMMHLPVPSDTAB-OAHLLOKOSA-N	270.332	1.840	10	20	CDCD	
CN(CCN1C[C@@H]2CC[C@H](C1)O2)c1ccc(N)cc1	863558513	LXMCHFSSPRTRIR-GASCZTMLSA-N	261.369	1.568	10	20	CDCD	
Oc1ccccc1CNC[C@@H]1CN2CCC[C@H]2CO1	252667515	KTEQJBKGUKNEFB-UONOGXRCSA-N	262.353	1.345	10	20	CDCD	
CNC(=O)CCN(C)Cc1cc(Cl)cc(OC)c1O	184688067	UBQGKPLMJAOELJ-UHFFFAOYSA-N	286.759	1.622	10	20	CDCD	
COCC[C@@](C)(O)CNCc1cc(F)cc(F)c1O	708536094	WBXSVUZHLDPYEJ-CYBMUJFWSA-N	275.295	1.548	10	20	CDCD	
CO[C@@H](C(=O)NCCc1ccc(O)c(O)c1)C1CC1	281723968	WWWRGLLONRFGOW-CYBMUJFWSA-N	265.309	1.182	10	20	CDCD	
Cc1nc(C(=O)N(C)Cc2ccc(N(C)C)cc2)no1	122481310	IVITWIRAPMCSPA-UHFFFAOYSA-N	274.324	1.716	10	20	CDCD	
COc1cc(O)c(CN[C@H]2CCCC[C@@H]2O)cc1OC	190264226	HOJZWTPDUJSGMX-RYUDHWBXSA-N	281.352	1.803	10	20	CDCD	
C[C@@H](NCc1cc(F)ccc1O)c1nnnn1C1CC1	191834478	VJVZVTQTYIZLCM-MRVPVSSYSA-N	277.303	1.704	10	20	CDCD	
CNC(=O)[C@H](C)CN(C)Cc1cc(F)ccc1O	180253708	AAVOPJDYFCCKFR-SECBINFHSA-N	254.305	1.345	10	20	CDCD	
C[C@@H](OC[C@@H]1CCCO1)C(=O)NCCc1ccc(N)cc1	237419652	UTGVHFZGMDHODW-DOMZBBRYSA-N	292.379	1.512	10	20	CDCD	
COc1ccc(O)c(CN(C)CCN2CCOCC2)c1	180023535	FUFKJJMLDIZPLS-UHFFFAOYSA-N	280.368	1.165	10	20	CDCD	
Cc1cc(O)c(CNC[C@]2(O)CCOC2)cc1C	269974742	LTGRBPYJJIEKLB-CQSZACIVSA-N	251.326	1.250	10	20	CDCD	
CCOC[C@@H](O)CN(C)c1ccc2c(c1)OCO2	270345230	OPYOFQLLRCVNTK-NSHDSACASA-N	253.298	1.249	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2CCOC[C@@H](C)C2)c1O	364857215	KFMQMPVRBKXUIE-JTQLQIEISA-N	296.323	1.777	10	20	CDCD	
Cc1cccc(CN2CCn3cnnc3[C@H]2C)c1O	276844757	TWMDWOXFIGTHAQ-LLVKDONJSA-N	258.325	1.869	10	20	CDCD	
Cc1cccc(CN2CCN([C@@H]3CCC[C@H]3O)CC2)c1O	362048113	VLTYXBHZVDDIRU-HZPDHXFCSA-N	290.407	1.732	10	20	CDCD	
Cc1ccc([C@H](C)NC[C@H]2CN(C)CCN2C)c(O)c1C	273612173	WLIINLVSXIQXIO-GJZGRUSLSA-N	291.439	1.905	10	20	CDCD	
C[C@H](NC(=O)NCc1ccccc1O)c1ncn(C)n1	275602686	DZCLCNWUCYEPNS-VIFPVBQESA-N	275.312	1.081	10	20	CDCD	
CCOc1ccc(O)c(CN[C@@]2(CCO)CCOC2)c1	278532026	VKIYAEASKWWPQI-HNNXBMFYSA-N	281.352	1.422	10	20	CDCD	
CC[C@@H](N[C@@H](CO)CCOC)c1ccc(F)cc1O	287614440	SPZSPRMPNJKBLA-DGCLKSJQSA-N	271.332	1.969	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCC[C@H]1[C@H]1CCCO1	285795912	MGFWEGGEOCPJBY-WCQYABFASA-N	277.320	1.881	10	20	CDCD	
COCCN(Cc1ccc(N(C)C)c(C)c1)[C@H](C)C(N)=O	293137502	QDXCDZQQCGMPIO-CYBMUJFWSA-N	293.411	1.383	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H](CC)OC	808095574	KGHYUZFLUOKXEB-LLVKDONJSA-N	272.341	1.919	10	20	CDCD	
COc1ccc(O)c(CN2CCC(F)(F)[C@H](CO)C2)c1	291375097	ZSLLTRZKZBXIKU-NSHDSACASA-N	287.306	1.850	10	20	CDCD	
COc1ccc(CNc2ccc3nc(C)nn3n2)c(O)c1	804681747	CTRBNPMAOPLGRW-UHFFFAOYSA-N	285.307	1.759	10	20	CDCD	
COc1ccc(CNC(=O)Cc2ccc(F)cn2)c(O)c1	807453377	AECJIKVMLYLXJA-UHFFFAOYSA-N	290.294	1.794	10	20	CDCD	
C[C@@H](CNCc1cc(Cl)cc([N+](=O)[O-])c1O)N(C)C	824988986	WPYGURBKWMJGTD-QMMMGPOBSA-N	287.747	1.994	10	20	CDCD	
Oc1ccccc1CN(CCN1CCOCC1)CC1CC1	827515305	BDUAPNNSJZPNEQ-UHFFFAOYSA-N	290.407	1.936	10	20	CDCD	
Cc1cccc(CN2CC[C@@H]3NC(=O)CC[C@H]3C2)c1O	827133318	SPZCJGXMEFIKOK-JSGCOSHPSA-N	274.364	1.801	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCN(c2ncccn2)CC1	731861839	PZWZVDGPYULKFG-UHFFFAOYSA-N	290.348	1.206	10	20	CDCD	
COc1cccc([C@@H](C)NCCN2CCCOCC2)c1O	903226520	GRCRFUMAUULUEI-CYBMUJFWSA-N	294.395	1.774	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@H]2C[C@H]2C(=O)O)cc1F	737377341	LIFQDPMXFXNJMD-NXEZZACHSA-N	280.299	1.229	10	20	CDCD	
Cc1cnc(C(=O)OCC(=O)c2ccc(O)c(O)c2)cn1	916590183	GNMVMEDNEGCGHR-UHFFFAOYSA-N	288.259	1.236	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNC[C@@H]2CC[C@H](C)O2)c1O	835087810	RDXJYBWROHBVHV-ONGXEEELSA-N	296.323	1.966	10	20	CDCD	
C[C@H](N)C[C@H](C)NC(=O)NCCc1ccc(N)cc1	831177983	HLXNXXSUOMPPFM-QWRGUYRKSA-N	264.373	1.236	10	20	CDCD	
CCC(=O)N1CCC[C@@H](C(=O)NCc2ccccc2O)C1	748346464	XXBGVUOONHYQRO-CYBMUJFWSA-N	290.363	1.657	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@H](C)c2cnccn2)c1	913000680	RFPQDGNJXUIIDN-LLVKDONJSA-N	271.320	1.911	10	20	CDCD	
COc1cccc([C@@H](C)NCC2(CO)COC2)c1O	846154625	BPWXVFQHAWCANH-SNVBAGLBSA-N	267.325	1.060	10	20	CDCD	
COCCONC(=O)c1cc(C)n(-c2ccccn2)c1C	748770442	VPYXPDDTVDRNJD-UHFFFAOYSA-N	289.335	1.797	10	20	CDCD	
C[C@H]1COCC[C@@H]1CNC(=O)NCCc1ccc(N)cc1	841903607	YLGLFGHZYIBKTI-GXTWGEPZSA-N	291.395	1.783	10	20	CDCD	
C[C@H]1[C@@H](C)N(C)CCN1C(=O)Nc1ccc(N)cc1	841295566	BLIOIMWMZDDLHD-MNOVXSKESA-N	262.357	1.825	10	20	CDCD	
Nc1ccc(NC(=O)C(=O)N[C@H]2CCCc3occc32)cc1	841017781	ZISHPOJXRHMRNU-ZDUSSCGKSA-N	299.330	1.994	10	20	CDCD	
CC1(C)COC(=O)[C@H]1NC(=O)c1cc(O)cs1	846656286	LRDLZYULFRFRQL-MRVPVSSYSA-N	255.295	1.135	10	20	CDCD	
CC1(C)C[C@@H]1C(=O)N(CC(=O)O)Cc1ccccc1O	911489380	BRHICJLTNIPBBB-LLVKDONJSA-N	277.320	1.852	10	20	CDCD	
CC[C@](C)(CCO)NC(=O)NCCc1ccc(N)cc1	841960543	SDCRVXXPGCCKOS-OAHLLOKOSA-N	279.384	1.662	10	20	CDCD	
CCc1cccc(CN(C)CC2(O)CCOCC2)c1O	848906486	XBLUDGFRURXWGC-UHFFFAOYSA-N	279.380	1.928	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2COC[C@H]2C)c1	926002972	FDSVMUXAKVWHBS-GBIKHYSHSA-N	294.351	1.796	10	20	CDCD	
CCOc1ccc(CN2C[C@H](CN)C[C@@H]2C)c(O)c1	843057532	JLPTXSNSWAKTMP-RYUDHWBXSA-N	264.369	1.960	10	20	CDCD	
COc1ccc(O)c(CNC(=O)NC[C@@H](C)OC)c1	853736723	LPEQDBAVVHOZGL-SECBINFHSA-N	268.313	1.235	10	20	CDCD	
Nc1ccc(CCNC(=O)[C@H]2CCn3ccnc3C2)cc1	857846096	XGMOPUFUFVTUTN-ZDUSSCGKSA-N	284.363	1.387	10	20	CDCD	
COC(=O)[C@H]1C[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2)C1	856368043	VXCGMESTVLKVHM-FWYRTDKUSA-N	291.303	1.179	10	20	CDCD	
Cn1cnc(C(=O)NCc2cc(Cl)ccc2O)n1	857548734	UHHJEVQUBMEHIT-UHFFFAOYSA-N	266.688	1.104	10	20	CDCD	
COC(=O)C[C@@H]1COCCN1Cc1c(C)cccc1O	877529918	ODRNIIGYBXKZBU-GFCCVEGCSA-N	279.336	1.465	10	20	CDCD	
CCOCCOC[C@H](O)CNCc1c(C)cccc1O	877475091	LURCPIYTLQBMDL-CYBMUJFWSA-N	283.368	1.204	10	20	CDCD	
C[C@@H]1C[C@@H](O)CN1Cc1ccc(N2CCC(O)CC2)cc1	877468105	YWGAZKSACHRSNX-CXAGYDPISA-N	290.407	1.603	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H]2CCOC2)c1O	775037508	NSZHELMAOQTJAC-SECBINFHSA-N	268.269	1.188	10	20	CDCD	
CC[C@@H](CCO)NCc1ccc([N+](=O)[O-])c(OC)c1O	775025155	TYQPRMDDZAXQIT-JTQLQIEISA-N	284.312	1.560	10	20	CDCD	
COC(=O)[C@H](NC(=O)c1cc(O)cs1)C1CCOCC1	881765071	SRBQZEPILATRQK-LLVKDONJSA-N	299.348	1.152	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@H](N)CC1CC1	884223239	LKYPFXXEFDKRKI-OAHLLOKOSA-N	275.396	1.805	10	20	CDCD	
C[C@H](NC[C@H]1CCS(=O)(=O)C1)c1c(O)cccc1F	886496868	KCIXCXYQHBYXNL-VHSXEESVSA-N	287.356	1.617	10	20	CDCD	
Oc1cccc(Cl)c1CNCCN1CCOCC1	83551203	QIKDVFFEVYIKPF-UHFFFAOYSA-N	270.760	1.467	10	20	CDCD	
COc1cc(C)cc(CN[C@@H](C)CCCO)c1O	894352185	LFBYFDXVOARDEM-NSHDSACASA-N	253.342	1.960	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)N[C@@H]2C[C@@H](C)OC2=O)c1	896370756	JSGRRMAQMPLQDB-MWLCHTKSSA-N	278.308	1.204	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CC[C@@H]2OCCC[C@H]2C1	187197451	RMWAHIGHTICOEZ-GWCFXTLKSA-N	277.320	1.739	10	20	CDCD	
COC(=O)[C@@](C)(CO)NCc1ccc(N(C)C)cc1C	894972904	VNZHKXXXRSPMEP-OAHLLOKOSA-N	280.368	1.075	10	20	CDCD	
COc1ccc(CNC(=O)CNCC(F)(F)F)c(O)c1	794378655	ATRGWAPQNYZHDA-UHFFFAOYSA-N	292.257	1.169	10	20	CDCD	
CC[C@](C)(OC)C(=O)NCc1ccc(OC)cc1O	796352094	ZZOHWFWJONLSDD-AWEZNQCLSA-N	267.325	1.832	10	20	CDCD	
CCN(CC)c1ccc(CN(C)S(=O)(=O)NC)cc1	795783519	HRSQRNWBRIVDTE-UHFFFAOYSA-N	285.413	1.429	10	20	CDCD	
CCOc1cc(O)ccc1NS(=O)(=O)c1ccn(C)n1	790412193	ZYJXSGWCWGYECR-UHFFFAOYSA-N	297.336	1.325	10	20	CDCD	
C[C@H]1CN(CCN(C)C(=O)c2cc(O)cs2)C[C@@H](C)O1	791013000	NJOGRGXSUOYVFJ-PHIMTYICSA-N	298.408	1.635	10	20	CDCD	
O[C@H](CNCc1ccc(N2CCOCC2)cc1)C1CC1	71300493	PZZVJBIRTHJXTM-MRXNPFEDSA-N	276.380	1.384	10	20	CDCD	
CCCC[C@H](CN)NC(=O)NCc1ccc(N)cc1	1336895346	YNYJXGILURATCA-CYBMUJFWSA-N	264.373	1.586	10	20	CDCD	
CO[C@@H]1CCN(C(=O)NCc2ccc(N)cc2)C[C@@H]1C	1335726741	WUOJEPTZMPQMHC-SMDDNHRTSA-N	277.368	1.835	10	20	CDCD	
CCCNCCNCc1ccc(N2CCOCC2)c(F)c1	1331418427	IHJRCRQPKNJPJS-UHFFFAOYSA-N	295.402	1.752	10	20	CDCD	
COc1ccc(O)c(CNC(=O)N[C@@H]2CO[C@H](C)C2)c1	1349093512	QFYWHUYOBKHOBB-KOLCDFICSA-N	280.324	1.377	10	20	CDCD	
COC(=O)c1cnc(Sc2cc(C)nc(CO)n2)s1	1261262441	YCAAHULMBZESBB-UHFFFAOYSA-N	297.361	1.672	10	20	CDCD	
CCN1C[C@H](C)N(C(=O)NCc2ccc(N)cc2)C[C@H]1C	1353539892	PUYQRBZXEZEPJO-OLZOCXBDSA-N	290.411	1.893	10	20	CDCD	
CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cnn[nH]1	1576854853	SWRHLWOUJOTPHU-UHFFFAOYSA-N	285.351	1.677	10	20	CDCD	
C[C@@](CO)(NCc1c(O)ccc(Cl)c1F)C(=O)O	1592750080	JLKMNEVKNZCUAV-NSHDSACASA-N	277.679	1.110	10	20	CDCD	
Cc1ccc([C@@H](C)NC[C@@H]2COCCO2)c(O)c1	38060606	RLFHSVPDHPZQPY-VXGBXAGGSA-N	251.326	1.767	10	20	CDCD	
CCC(=O)NCCNCc1ccc(OC)c(C)c1	393140741	XSEQTVUUICBUKF-UHFFFAOYSA-N	250.342	1.619	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCc2n[nH]cc2C1	396883814	QJMSPITURXHRLM-UHFFFAOYSA-N	259.265	1.019	10	20	CDCD	
CC(C)[C@@H](C(=O)NCc1ccccc1O)[C@@H](C)N	399493199	HJQRMHBVWILEEA-ZWNOBZJWSA-N	250.342	1.628	10	20	CDCD	
C[S@@](=O)CCCNCc1cc(Cl)ccc1O	116918447	PZBCLGQMWBDRSL-INIZCTEOSA-N	261.774	1.904	10	20	CDCD	
C[C@H]1NC(=S)N(Cc2ccc(N(C)C)c(F)c2)C1=O	69630171	FJFCOGDVUUSUKF-MRVPVSSYSA-N	281.356	1.497	10	20	CDCD	
COCCCN(CCOC)Cc1ccc(N)cc1	42408285	GMWNKZONORJBFC-UHFFFAOYSA-N	252.358	1.754	10	20	CDCD	
O[C@H]1CCCN(Cc2ccc(N3CCOCC3)cc2)C1	305720138	AHVHKNAQZMQPDH-INIZCTEOSA-N	276.380	1.480	10	20	CDCD	
Cc1ccc([C@@H](C)NCCCS(C)(=O)=O)c(O)c1	38047358	IQOSRQDXWPYXKE-LLVKDONJSA-N	271.382	1.786	10	20	CDCD	
O=C(Nc1cccc(-n2ccnn2)c1)c1cccc(O)c1O	185867804	NKILOPHGWWDLET-UHFFFAOYSA-N	296.286	1.931	10	20	CDCD	
COC[C@@H](CCO)N[C@@H](C)c1ccc(F)cc1O	230663256	JOIFDDOVWQDNAA-GXSJLCMTSA-N	257.305	1.579	10	20	CDCD	
CCc1noc(-c2cc(NS(C)(=O)=O)ccc2O)n1	273357661	ADJPJCZALBGGQI-UHFFFAOYSA-N	283.309	1.376	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H](C)CO[C@@H]2CCOC2)c(O)c1O	272719850	HBYOQHCKZYUEFR-WDEREUQCSA-N	295.335	1.330	10	20	CDCD	
CCOc1cccc(CN(CC)CCCO)c1O	271191745	MBVWIWRKEWVWLB-UHFFFAOYSA-N	253.342	1.995	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@]1(N)CC1(F)F	632823390	ZJMQJGCVSBEDFJ-ZDUSSCGKSA-N	297.305	1.215	10	20	CDCD	
Oc1ccc(F)cc1CNCc1nc(C2CC2)n[nH]1	294782852	LGQHHYTULJCRMD-UHFFFAOYSA-N	262.288	1.817	10	20	CDCD	
CCOCc1cc(CNCC(=O)NC2CC2)ccc1OC	299463388	GUNIBXYEVMEWSL-UHFFFAOYSA-N	292.379	1.600	10	20	CDCD	
Cc1cccc(CN(C)CCCN2CCN(C)CC2)c1O	809743479	SEKDEQVXPGUGJR-UHFFFAOYSA-N	291.439	1.770	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)NC[C@@H]1CCOC1	298754875	SGHBZOVSCGVHDT-NSHDSACASA-N	264.325	1.570	10	20	CDCD	
COc1ccc(CNC(=O)C(=O)c2cccn2C)c(O)c1	807453825	HNYUDDROSLAWMW-UHFFFAOYSA-N	288.303	1.238	10	20	CDCD	
COC[C@H](C)OC[C@H](O)CNCc1ccc(N(C)C)cc1	818941674	NMPNCIBSNUNSLC-XJKSGUPXSA-N	296.411	1.255	10	20	CDCD	
Cc1cc(O)c(CN[C@H](C)CC(N)=O)cc1Cl	825352901	JYALDWADOOELOM-MRVPVSSYSA-N	256.733	1.708	10	20	CDCD	
CN1CCCc2cc(CNC(=O)[C@H]3[C@H]4C(=O)CC[C@H]43)ccc21	906456006	WXPLWFOTGCJDBX-KBRIMQKVSA-N	298.386	1.910	10	20	CDCD	
O=C1CN(Cc2ccccc2)[C@H](c2cccc(O)c2O)N1	732818787	IMXDHORNBAAWQK-MRXNPFEDSA-N	284.315	1.728	10	20	CDCD	
COc1ccc(O)c(CNC(=O)NC[C@H]2CCCCO2)c1	734067499	PDJUUNXYCRZRPE-CYBMUJFWSA-N	294.351	1.769	10	20	CDCD	
O=C(N[C@@H]1CCN(CC2CC2)C1)c1cc(O)cs1	732289950	FITOTHHJEHAJHL-SNVBAGLBSA-N	266.366	1.668	10	20	CDCD	
CCO[C@H]1CCN(Cc2cc3c(cc2O)OC[C@H]3O)C1	902528920	SUCJJDJVVATVMT-SMDDNHRTSA-N	279.336	1.429	10	20	CDCD	
Cc1cc(Br)c(O)c(CN[C@H]2CNOC2)c1	904425597	SGXKTGKGBBMLII-VIFPVBQESA-N	287.157	1.456	10	20	CDCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)CCO	902947549	LTAXGVQDRYHZSU-LBPRGKRZSA-N	264.369	1.491	10	20	CDCD	
CCOC(=O)[C@H]1CCCN1C(=O)c1cc(O)cs1	832259400	JNVBZIUHBHSSFJ-SECBINFHSA-N	269.322	1.621	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2[C@@H]3CCC(=O)[C@H]32)c1	907059532	CRQHXEMTNCMXJI-LLQQRXHISA-N	289.331	1.803	10	20	CDCD	
CC[C@H](NC(=O)c1cccc(O)c1O)[C@H](O)C(C)C	839866429	FLLIMFDAGHGIMQ-CMPLNLGQSA-N	267.325	1.623	10	20	CDCD	
Cn1nc(C2CC2)cc1C(=O)NCCc1ccc(N)cc1	911783464	UIILJUUNKDGFAQ-UHFFFAOYSA-N	284.363	1.852	10	20	CDCD	
CCCC(=O)N(CC(=O)O)Cc1ccccc1O	911483755	DBCGRXLJLMRBDA-UHFFFAOYSA-N	251.282	1.606	10	20	CDCD	
COCC1(CNCc2ccc(N(C)C)cc2)CCNCC1	841068373	MSPKCWJYQJTZLI-UHFFFAOYSA-N	291.439	1.858	10	20	CDCD	
COc1cccc(CNC(=O)N[C@H]2CCCNCC2)c1O	841978287	MBEZQSBMKZARGD-LBPRGKRZSA-N	293.367	1.342	10	20	CDCD	
NCc1ccc2c(c1)CCCN2Cc1ncnn1CCF	843350578	PGURWMREMSAEHB-UHFFFAOYSA-N	289.358	1.659	10	20	CDCD	
NC[C@H]1CN(Cc2c(O)ccc(Cl)c2F)CCCO1	841101480	VHMYEHRCMJAHAV-VIFPVBQESA-N	288.750	1.734	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)N[C@H](C)c2nncn2C)c1	858204606	PCQBSTFGIHKIPA-SNVBAGLBSA-N	289.339	1.390	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCC[C@@H](c2nc(O)n[nH]2)C1	854364621	HIJRNQDYXIAGBB-SSDOTTSWSA-N	294.336	1.297	10	20	CDCD	
C[C@@H](N[C@H]1CCCCNC1=O)c1cc(F)cc(F)c1O	756395909	KWWJOJRLCXIEJF-PELKAZGASA-N	284.306	1.990	10	20	CDCD	
C[C@@H](NC(=O)NCCc1ccn(C)n1)c1ccccc1O	868500663	BQPYRPSYEJROOO-LLVKDONJSA-N	288.351	1.729	10	20	CDCD	
Cc1ccc([C@@H](C)NC[C@@]2(O)CCN(C)C2)c(O)c1C	762784852	ALRURKXCGZFVJB-CJNGLKHVSA-N	278.396	1.726	10	20	CDCD	
CC1=CCN(CCNC(=O)c2cc(O)cs2)CC1	762814372	GJGSDURECFPIOF-UHFFFAOYSA-N	266.366	1.836	10	20	CDCD	
CNS(=O)(=O)CCCN[C@H](C)c1cc(F)ccc1O	866457317	MECFJIAOLYRQME-SECBINFHSA-N	290.360	1.121	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@@H](NC(N)=O)C(C)(C)C)c1	862755996	OWXWECPDHMNGSN-GFCCVEGCSA-N	293.367	1.400	10	20	CDCD	
C[C@H](C(=O)NCCc1ccc(O)c(O)c1)n1ccnc1	1116430568	DSHOHVJBJFUJLE-SNVBAGLBSA-N	275.308	1.214	10	20	CDCD	
COC(C)(C)CN(C)C(=O)/C=C/c1ccc(O)c(O)c1	779530243	WPVKFQVFMGFFNQ-SOFGYWHQSA-N	279.336	1.994	10	20	CDCD	
CCC[C@@H](O)CNCc1ccc(N2CCC(O)CC2)cc1	877028043	WVEIETMXKKVICC-QGZVFWFLSA-N	292.423	1.898	10	20	CDCD	
C[C@H]1C[C@H](C(=O)NCc2ccc(O)c(O)c2)CCC1=O	778919616	HFZIOJDSGMKYPK-GXSJLCMTSA-N	277.320	1.719	10	20	CDCD	
CCS(=O)(=O)C1CCN(Cc2ccc(N)cc2)CC1	1120269244	PEFKYLHICUWIDM-UHFFFAOYSA-N	282.409	1.668	10	20	CDCD	
Cc1cc(C)c([C@H](C)N[C@H](C)CC(N)=O)c(O)c1	788630082	FKSUMLMDBRQWDW-MNOVXSKESA-N	250.342	1.924	10	20	CDCD	
COc1ccc(CN[C@@H]2CC[C@H](C(N)=O)C2)c(O)c1OC	894781813	RWVKPXKKBNQYMQ-GXSJLCMTSA-N	294.351	1.153	10	20	CDCD	
COC(=O)N1CC(C)(NCc2ccc(N(C)C)c(F)c2)C1	894542803	ONLWBBNDMVIOBP-UHFFFAOYSA-N	295.358	1.822	10	20	CDCD	
C[C@H]1OCC[C@@]1(O)CNCc1cc(Cl)cc(F)c1O	789775816	BZUJIWGIJNQNLG-AMIZOPFISA-N	289.734	1.814	10	20	CDCD	
C[C@@H](NCc1cc(C(=O)O)no1)c1ccccc1O	1599841365	BLDZVMYQVBTDBG-MRVPVSSYSA-N	262.265	1.929	10	20	CDCD	
Cc1cccc(O)c1CN1CC[C@H](C2OCCO2)C1	896379678	CYNIQPRUFTYUMR-LBPRGKRZSA-N	263.337	1.895	10	20	CDCD	
CCc1cccc(CN[C@H]2CCCS(=O)(=O)C2)c1O	691452474	KDHIAZQUOPEAGK-ZDUSSCGKSA-N	283.393	1.621	10	20	CDCD	
Oc1ccc(Cl)c(F)c1CNCC1(O)CCOCC1	790958854	BMHAYRLCIWVVFT-UHFFFAOYSA-N	289.734	1.816	10	20	CDCD	
Cc1nnc([C@H](C)NC(=O)c2cccc(O)c2O)o1	790881912	HHHPKJDUOSUBFG-LURJTMIESA-N	263.253	1.280	10	20	CDCD	
COc1cc(O)c(CN2C[C@@H](O)C(C)(C)C2)cc1OC	790936377	FNJOCKQQTHFCFJ-CQSZACIVSA-N	281.352	1.612	10	20	CDCD	
COc1ccc(CNc2ncc([N+](=O)[O-])cn2)c(O)c1	795284260	JPVWKYSOXYMFOI-UHFFFAOYSA-N	276.252	1.711	10	20	CDCD	
CC1(C)C[C@@H](C(=O)NCCc2ccc(O)c(O)c2)CCO1	1337196464	GGWBWIMFPBWRQS-LBPRGKRZSA-N	293.363	1.962	10	20	CDCD	
Nc1ccc(CNC(=O)N2CC([C@@H]3CCOC3)C2)cc1	1335726395	QZADQZFTQKYHMZ-GFCCVEGCSA-N	275.352	1.447	10	20	CDCD	
Cc1cc(C(=O)N2CC(C(N)=O)C2)c(C)n1-c1ccccn1	1347162168	IDORYGCRQPEKLO-UHFFFAOYSA-N	298.346	1.046	10	20	CDCD	
CCS(=O)(=O)Cc1noc(Cc2ccc(N)cc2)n1	1345956295	BEPGFWMUPPVZMF-UHFFFAOYSA-N	281.337	1.177	10	20	CDCD	
CCCOc1ccc(CN[C@H](C(=O)OC)[C@@H](C)O)cc1C	1262114226	QAUQVJQCJISMRU-DOMZBBRYSA-N	295.379	1.796	10	20	CDCD	
CNCCC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	1341621260	FOZSCACDFSGQBF-OAHLLOKOSA-N	292.427	1.081	10	20	CDCD	
Cc1cc(CN2CCN(Cc3ccc(N)cc3)CC2)no1	1356083678	XOSYSHWNIJRXQE-UHFFFAOYSA-N	286.379	1.883	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](C)CC(=O)O	1609755265	ZBNHXGGVNHNUIT-BDAKNGLRSA-N	281.308	1.256	10	20	CDCD	
O=C(O)C[C@@]1(NCc2cccc(F)c2O)CCOC1	1608688278	BFKVEVABPPHIIR-ZDUSSCGKSA-N	269.272	1.255	10	20	CDCD	
O=C(O)c1ccnc(C(=O)NCc2cc(O)ccc2O)c1	1602481437	CDVFNNSRJRQLRH-UHFFFAOYSA-N	288.259	1.121	10	20	CDCD	
Nc1ccc(CC(=O)NC[C@@H](CO)Cc2ccoc2)cc1	1580443284	VNJJHCSZVLQTQN-AWEZNQCLSA-N	288.347	1.372	10	20	CDCD	
NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CCCC[C@H]2N)cc1	1580096035	CADTXWZKAVJYIJ-VXGBXAGGSA-N	289.339	1.849	10	20	CDCD	
CCOc1cccc(CN2CC[C@@](C)(C(N)=O)C2)c1O	233820993	AUHODKOGXJDEPF-OAHLLOKOSA-N	278.352	1.488	10	20	CDCD	
COC[C@H](C)NCc1ccc(N2CCC(O)CC2)c(F)c1	151549848	RUTIQLGYBNLNCG-LBPRGKRZSA-N	296.386	1.911	10	20	CDCD	
COc1cccc(CNC(=O)C2(O)CCCCC2)c1O	155679999	BNVPGPPZCGNWHC-UHFFFAOYSA-N	279.336	1.712	10	20	CDCD	
CC(C)(CCC(=O)O)NC(=O)Cc1ccc(N)cc1	261550718	XYGOZWKDKATJLS-UHFFFAOYSA-N	264.325	1.571	10	20	CDCD	
Cc1ccc(O)c(CNCC(C)(C)NS(C)(=O)=O)c1	67006027	PUCVJFJGFFQEQR-UHFFFAOYSA-N	286.397	1.118	10	20	CDCD	
COCC(COC)NCc1ccc2c(c1)CCO2	388426420	KONGNOQEKSHXPW-UHFFFAOYSA-N	251.326	1.373	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)[C@H]2COCCN2)cc1	178711332	BMTGIMYDDAKLPE-OAHLLOKOSA-N	291.395	1.137	10	20	CDCD	
Cc1ccc(O)c(CNCCN2CCOC(C)(C)C2)c1	172119250	ZHUXYJAHIOKUHA-UHFFFAOYSA-N	278.396	1.901	10	20	CDCD	
CN1CCN(Cc2cccc(Cl)c2O)CC1=O	180292997	VXPNGYOVNURUAX-UHFFFAOYSA-N	254.717	1.320	10	20	CDCD	
COCCN1CC[C@H](NCc2cc(C)ccc2O)C1	264948790	JUKWCAVBDCLLDC-AWEZNQCLSA-N	264.369	1.511	10	20	CDCD	
CC(=O)NCCCN[C@H](C)c1ccc(F)c(F)c1O	191191676	DEWLFRQCYULYMI-MRVPVSSYSA-N	272.295	1.847	10	20	CDCD	
Cc1ccc(O)c(CN[C@H](C)c2nnnn2C2CC2)c1	191825436	GYDMGYHOIIPTMB-SNVBAGLBSA-N	273.340	1.873	10	20	CDCD	
COc1ccc(O)c(CNC[C@@](C)(O)CSC)c1	182430762	WEMTZTRMZRWBPC-CYBMUJFWSA-N	271.382	1.604	10	20	CDCD	
COC(=O)C[C@@H](C)C(=O)NCc1cccc(OC)c1O	268403584	GRAPDVWHPNMZKV-SECBINFHSA-N	281.308	1.216	10	20	CDCD	
CN(CCNC(=O)Cc1ccc(N)cc1)CC(F)(F)F	269251279	PMBPQDUNFVBZGK-UHFFFAOYSA-N	289.301	1.422	10	20	CDCD	
C[C@H](CO)CN[C@H](C)c1cc([N+](=O)[O-])ccc1O	273426612	UHZCKPMMENULJQ-DTWKUNHWSA-N	254.286	1.579	10	20	CDCD	
Cn1ccnc1[C@H]1OCC[C@@H]1NCc1cc(F)ccc1O	275354659	AHLJXYRGMBIQGB-JSGCOSHPSA-N	291.326	1.885	10	20	CDCD	
COC(=O)[C@H](NCc1cc(OC)ccc1O)C1CC1	276469193	MOAFEFDRCUTJFJ-CYBMUJFWSA-N	265.309	1.442	10	20	CDCD	
Cc1ccc(C(=O)N[C@H]2CC(C)(C)OC2=O)c(O)c1O	272770778	SGTNUHCUZAFERX-VIFPVBQESA-N	279.292	1.230	10	20	CDCD	
Cc1cccc(CN2CC(n3cc([C@H](C)O)nn3)C2)c1O	374824281	VVYQCZNTPHIOFG-NSHDSACASA-N	288.351	1.402	10	20	CDCD	
C[S@](=O)C1(CNC(=O)NCc2ccccc2O)CC1	282152699	ILBJRGQMSPGMJR-IBGZPJMESA-N	282.365	1.103	10	20	CDCD	
CC(=O)C(=O)COC(=O)CCCOc1cccc(C)c1	808484123	KBMFZQJYXHDJAB-UHFFFAOYSA-N	278.304	1.855	10	20	CDCD	
Cc1nc[nH]c1CC(=O)N[C@H](C)c1ccccc1O	827946698	PCJGARHQSBUTRI-SECBINFHSA-N	259.309	1.844	10	20	CDCD	
CCN(CC(=O)O)Cc1ccc(N2CCOCC2)cc1	901427145	UFXQHRCTKGOEPR-UHFFFAOYSA-N	278.352	1.430	10	20	CDCD	
CCOc1ccc(O)c(CN[C@@H]2CC(=O)N(CC)C2)c1	824886869	MMBYQHIOUKZDAV-GFCCVEGCSA-N	278.352	1.501	10	20	CDCD	
C[C@H]1CCCN(CCNC(=O)c2cc(O)cs2)C1	731869212	CFLKULNYOINWMQ-JTQLQIEISA-N	268.382	1.915	10	20	CDCD	
COCCc1noc(COC(=O)c2cc(O)cs2)n1	732353087	LPZFCAUATHRJOY-UHFFFAOYSA-N	284.293	1.383	10	20	CDCD	
COc1cc(CN2CCO[C@@H]3COCC[C@@H]32)c(O)cc1C	902626922	PCJGMYFQJCXVRC-XJKSGUPXSA-N	293.363	1.699	10	20	CDCD	
C[C@H](CCCO)CNC(=O)/C=C/c1ccc(O)c(O)c1	833889239	RINVMXBBBMKVJM-OKPNEXGHSA-N	279.336	1.636	10	20	CDCD	
CCCN(CC(=O)O)C(=O)NCc1ccc(N(C)C)cc1	908757470	AQELXDOWYUGPDR-UHFFFAOYSA-N	293.367	1.759	10	20	CDCD	
CCn1ccc(CNC(=O)c2cc(O)cs2)n1	839812997	VQUCKCMJPQFFFP-UHFFFAOYSA-N	251.311	1.600	10	20	CDCD	
O=C(COC(=O)c1ccccn1)c1ccc(O)c(O)c1	916589584	RSGVLXQIALQSEZ-UHFFFAOYSA-N	273.244	1.533	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@@H](CCCO)C1	837190596	CPJSVKRFTLWKLL-DIECRNLCSA-N	291.347	1.732	10	20	CDCD	
CC[C@H](C(=O)O)C(=O)NCc1ccc2cccnc2c1O	911702478	ZXIJBMOKNYDQGA-NSHDSACASA-N	288.303	1.667	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2CC[C@](C)(CN)C2)c1O	843116225	VWUPRWCIVNWRHO-CQSZACIVSA-N	295.339	1.480	10	20	CDCD	
COC[C@]1(CNCc2cccc(Cl)c2O)CCCN1	841067312	MYZFJMCJFMSQMX-CQSZACIVSA-N	284.787	1.904	10	20	CDCD	
COc1cccc([C@H](C)N[C@@H](C)C[S@@](C)=O)c1O	846162616	IOKMJZRLNBOJCM-LXIMFEHMSA-N	271.382	1.818	10	20	CDCD	
CCN(C)C[C@H](O)CN[C@H](C)c1ccc(N(C)C)cc1	846860665	LMNVHKKTKHGDBT-CZUORRHYSA-N	279.428	1.716	10	20	CDCD	
CC[C@H](C(=O)NCc1ccc(O)cc1O)N(C)C	910951613	VFNNBIYMRWFARG-LLVKDONJSA-N	252.314	1.054	10	20	CDCD	
CCOc1ccc(O)c(CN2CCN[C@@H](C)[C@H]2C)c1	843057842	MMBNDQHHTLOTTE-NWDGAFQWSA-N	264.369	1.973	10	20	CDCD	
NCC1(O)CCN(Cc2cc(Cl)cc(F)c2O)CC1	841106527	BHPNDIMSHNXHBD-UHFFFAOYSA-N	288.750	1.470	10	20	CDCD	
CCN1C[C@H](CNCc2cc(OC)ccc2O)CC1=O	846097479	PMJMOVIUQRSBJQ-NSHDSACASA-N	278.352	1.359	10	20	CDCD	
COCCOCCN[C@H](C)c1cc(F)cc(F)c1O	756456539	CSUSLXCDKLCGCZ-SECBINFHSA-N	275.295	1.984	10	20	CDCD	
COC[C@@H](OC)C(=O)NCc1ccc(N(C)C)cc1	854272089	YCAVNIFRQWCVOV-CYBMUJFWSA-N	266.341	1.030	10	20	CDCD	
CCN(CC)c1ccc(CN[C@H]2CNCCOC2)cc1F	925566178	FQUSWDDTJCVOMT-AWEZNQCLSA-N	295.402	1.750	10	20	CDCD	
CC(=O)N[C@@](C)(C(=O)NCc1ccc(O)c(O)c1)C(C)C	934944890	UQDWVGGHNQHIDG-OAHLLOKOSA-N	294.351	1.265	10	20	CDCD	
C[C@H](N)CN(C)Cc1ccc(N2CCOCC2)c(F)c1	863653618	OJDKQPJNTKEWRU-LBPRGKRZSA-N	281.375	1.441	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)c1nc(C2CC2)no1	865904250	LDXMTINWGYJXIO-UHFFFAOYSA-N	273.292	1.925	10	20	CDCD	
CCc1cccc(CNCc2nnc3n2CCOC3)c1O	1118336172	FPMIFWBRAVDMKY-UHFFFAOYSA-N	288.351	1.366	10	20	CDCD	
C[C@@H](NC[C@H](O)CN1CCCC1)c1ccccc1O	775131786	VXPYAWJOHRIJGO-OLZOCXBDSA-N	264.369	1.500	10	20	CDCD	
CCN(CC)c1ccc(CN2C[C@@H](CO)[C@@H](CO)C2)cc1	877764804	PMWCQHAQXTXTTE-IYBDPMFKSA-N	292.423	1.565	10	20	CDCD	
CCN(CCC(=O)NC)C(=O)c1cc(O)cs1	888271241	VXBVOOMVLSTLPV-UHFFFAOYSA-N	256.327	1.052	10	20	CDCD	
CCN(C)c1ccc(CN2CCO[C@H](C(=O)OC)C2)cc1	773750210	XDWIFNXSHIBQBW-HNNXBMFYSA-N	292.379	1.517	10	20	CDCD	
CCN1C(=O)C(C)(C)N[C@@H]1c1cc(F)cc(F)c1O	887329758	OPIZOVUBXXHMKE-NSHDSACASA-N	270.279	1.899	10	20	CDCD	
O=[N+]([O-])c1cc(Cl)cc(CN2C[C@H]3C[C@@]3(CO)C2)c1O	783734307	LHKIIAAMRMEAAH-RNCFNFMXSA-N	298.726	1.768	10	20	CDCD	
COC[C@@H]1CN(C(=O)c2cc(O)cs2)C[C@@H](C)O1	784800312	ZMNNCJNJYNMBHB-SCZZXKLOSA-N	271.338	1.330	10	20	CDCD	
C[C@@H]1OCC[C@H]1C(=O)OCC(=O)c1ccc(O)c(O)c1	784492787	HEFFLQQRAYLIPX-WCBMZHEXSA-N	280.276	1.249	10	20	CDCD	
COc1ccc(CN(C)Cc2nncn2C)c(O)c1OC	894514519	KGCVTJRHQFRUNE-UHFFFAOYSA-N	292.339	1.170	10	20	CDCD	
C[C@@H](NC(=O)NCC1CCNCC1)c1ccccc1O	891976068	JFXOWOPKYZIGPL-LLVKDONJSA-N	277.368	1.752	10	20	CDCD	
O=C(COC(=O)[C@H]1C[C@H]1C1CC1)c1ccc(O)c(O)c1	784056584	UWJXPGUMNOKMPF-QWRGUYRKSA-N	276.288	1.870	10	20	CDCD	
CN(Cc1ccccc1O)c1ncccc1S(N)(=O)=O	302618778	GNLDGZWZJMRNSI-UHFFFAOYSA-N	293.348	1.071	10	20	CDCD	
COc1ccc(CNS(=O)(=O)N(C)C(C)C)c(O)c1	795357309	NLXNDQMUBUEYOS-UHFFFAOYSA-N	288.369	1.075	10	20	CDCD	
CC1(C)[C@@H](O)C[C@H]1NC(=O)NCc1ccc(N)cc1	1335736723	GYLHHHBYUONWFL-NEPJUHHUSA-N	263.341	1.227	10	20	CDCD	
Nc1ccc(CNC(=O)CC2C[C@@H]3CC[C@H](C2)N3)cc1	1515333411	PAWQPPWGSNKZER-LQDVMPOASA-N	273.380	1.806	10	20	CDCD	
C[C@H](N[C@H](C)CC(=O)O)c1cc([N+](=O)[O-])ccc1O	1609888676	PKRLMLJQUKNTIC-SFYZADRCSA-N	268.269	1.814	10	20	CDCD	
O=C(O)c1coc(COC(=O)c2cccc(O)c2O)c1	1602555930	DJYQTAOWUSPVNX-UHFFFAOYSA-N	278.216	1.746	10	20	CDCD	
CCOCCCN[C@H](C)c1cccc(-c2nn[nH]n2)c1O	1590810726	SZQJJVVNHZULFM-SNVBAGLBSA-N	291.355	1.650	10	20	CDCD	
COC[C@]1(C(=O)O)CCCN1Cc1cccc(F)c1O	1599192402	CFHOMZKSTZWSLN-AWEZNQCLSA-N	283.299	1.597	10	20	CDCD	
Cc1cccc(CN[C@@H](C)CN2CCCC2=O)c1O	124718325	BAWJKZCPZYQMDU-LBPRGKRZSA-N	262.353	1.801	10	20	CDCD	
CCOC(=O)C1=NN(c2ccc(F)cc2F)C(=O)[C@H]1C	871940940	RHBNRFGHHFTDTD-ZETCQYMHSA-N	282.246	1.867	10	20	CDCD	
Oc1c(F)cc(F)cc1CNCC[C@H](O)C1CC1	898194671	MRLIFQDUOJCQRT-LBPRGKRZSA-N	257.280	1.921	10	20	CDCD	
CCOc1cccc(CNC[C@@H]2CCOC2)c1O	37738173	RBPNNCJLYQYVKK-NSHDSACASA-N	251.326	1.917	10	20	CDCD	
Oc1cc2c(cc1CN[C@@H]1CCN(C3CC3)C1)OCO2	44687866	HJRDSXREHFUUMX-LLVKDONJSA-N	276.336	1.447	10	20	CDCD	
CC[C@]1(C(=O)NCc2ccc(N(C)C)cc2)CCNC1	62899680	PTJAUJVOUXZPLX-INIZCTEOSA-N	275.396	1.759	10	20	CDCD	
CN(C)c1ccc(CN2CCC(O)(CN)CC2)cc1	397066723	VFFQAPBMFPYIOU-UHFFFAOYSA-N	263.385	1.038	10	20	CDCD	
COc1ccc(O)c(CNCCN(C)C(C)C)c1	54111037	DPLXRDNFZMESMJ-UHFFFAOYSA-N	252.358	1.831	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NCCCCCCO	181315628	PUQZYFHTLTWOGG-SOFGYWHQSA-N	279.336	1.780	10	20	CDCD	
CCOc1cccc(CN2CCN(CCOC)CC2)c1O	122997432	DLFMJGAYRSEMPA-UHFFFAOYSA-N	294.395	1.555	10	20	CDCD	
CC(C)(C)n1cc(C(=O)NCc2ccc(O)c(O)c2)nn1	189557268	QUCBFQAEUSFGRT-UHFFFAOYSA-N	290.323	1.374	10	20	CDCD	
COc1cc(O)c(CN2CCC[C@@H](O)C2)cc1OC	183469421	PTGGTPSRYRHFEK-LLVKDONJSA-N	267.325	1.366	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)c1ccc[n+]([O-])c1	48606741	JEWHWTCUNGCSET-UHFFFAOYSA-N	258.277	1.298	10	20	CDCD	
COc1cccc(CN[C@@H](CO)CC(C)C)c1O	40773813	KZYMSSNALYIBIJ-GFCCVEGCSA-N	253.342	1.897	10	20	CDCD	
COc1ccc(N(C)CC(OC)OC)c(OC)c1	136801227	WOQHOZDMDYYCIK-UHFFFAOYSA-N	255.314	1.759	10	20	CDCD	
C[C@@]1(C(=O)O)CCN(Cc2cc(F)ccc2O)C1	235431254	ARUDGWZORWRNJI-CYBMUJFWSA-N	253.273	1.828	10	20	CDCD	
CCCN(Cc1ccccc1O)Cc1cnnn1C	92704955	ZULIPNPMSCFHHK-UHFFFAOYSA-N	260.341	1.933	10	20	CDCD	
CCOc1cccc(CN2CCNC(=O)[C@@H]2CC)c1O	93050062	YTBONGYJKYWNPV-LBPRGKRZSA-N	278.352	1.501	10	20	CDCD	
Cc1cc(C(=O)N[C@@H](C)CN)c(C)n1-c1ccccn1	262516874	GUSIGTYDFUZSHN-JTQLQIEISA-N	272.352	1.566	10	20	CDCD	
C[C@@H](NC(=O)NCc1ccc(N(C)C)cc1)[C@@H]1CCOC1	266484520	CJYIHCKXIOTKAW-TZMCWYRMSA-N	291.395	1.977	10	20	CDCD	
Cc1ccc([C@@H](C)NC[C@H]2CN(C)CCN2C)c(O)c1C	273612172	WLIINLVSXIQXIO-CABCVRRESA-N	291.439	1.905	10	20	CDCD	
CCNC(=O)[C@H](C)N[C@@H](C)c1cc([N+](=O)[O-])ccc1O	273433950	WMVBLMSQFMATJV-IUCAKERBSA-N	281.312	1.476	10	20	CDCD	
CO[C@@H](C)CN[C@@H](C)c1cc([N+](=O)[O-])ccc1O	276983038	WGOWIZKMSYIOQC-IUCAKERBSA-N	254.286	1.986	10	20	CDCD	
C[C@H](O)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	276340093	IFWGDHMHJQFCDL-AAEUAGOBSA-N	279.336	1.281	10	20	CDCD	
COc1cccc(CNC(=O)NCc2c[nH]nc2C)c1O	274602915	LXRKXFXDJDDUNI-UHFFFAOYSA-N	290.323	1.432	10	20	CDCD	
Cc1ccc(C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)c(O)c1O	272770562	SBBXUZGCESPEIA-MFKMUULPSA-N	290.363	1.619	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)NC[C@H](C)CO)c1	273441226	YJKUEGZEVPUGLN-VHSXEESVSA-N	267.325	1.458	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)c1occ2c1CCOC2	376062608	UDDLYMFMESSCSF-UHFFFAOYSA-N	289.287	1.694	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cncc(O)c1	803089433	AGAWCCMQCGCAMK-SECBINFHSA-N	288.303	1.559	10	20	CDCD	
CCCSCC(=O)OCC(=O)c1ccc(O)c(O)c1	801324296	QJIVKXKQAHDFIX-UHFFFAOYSA-N	284.333	1.967	10	20	CDCD	
C[C@H](Cc1cnccn1)NC[C@@H](N)c1ccc(N(C)C)cc1	817940012	DUUHLBDKADPAPU-CXAGYDPISA-N	299.422	1.763	10	20	CDCD	
O=C1CN(Cc2ccccc2O)C(=O)N1CC1CC1	819165970	IWOUISCRXCEEIZ-UHFFFAOYSA-N	260.293	1.566	10	20	CDCD	
C[C@@H]1CN(Cc2cc(F)ccc2O)C[C@@]1(C)CO	827700246	QTMRAKFJFMXELJ-YGRLFVJLSA-N	253.317	1.982	10	20	CDCD	
COc1ccc(O)c(CNC(=O)C2(N(C)C)CC2)c1	830543592	ABPKYTVJEZYSDO-UHFFFAOYSA-N	264.325	1.111	10	20	CDCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)CN(C)C	839918869	OAGLVDHAMGEXAY-ZDUSSCGKSA-N	277.412	1.670	10	20	CDCD	
CCN1CCC[C@@H]1CNC(=O)c1cc(O)cs1	732263836	WGYHDRYPEPPFLK-SECBINFHSA-N	254.355	1.668	10	20	CDCD	
C[C@@H](NC(=O)C[C@@H]1CCC(=O)N1)c1ccc(N(C)C)cc1	832431785	UQMVWQXZEFLRBE-YPMHNXCESA-N	289.379	1.599	10	20	CDCD	
COc1ccc(O)c([C@H](C)NS(=O)(=O)C2(C)CC2)c1	830623469	RZBPHXZGOXBJLE-VIFPVBQESA-N	285.365	1.934	10	20	CDCD	
CN(C)c1ccc([C@H](N)CNCc2ccn(C)n2)cc1	841042852	LYEZIDCQDGTYMD-OAHLLOKOSA-N	273.384	1.276	10	20	CDCD	
COC(=O)C[C@H](C)c1nc(Cc2ccc(N)cc2)no1	843158680	GMZYREZJMQWTPJ-VIFPVBQESA-N	275.308	1.909	10	20	CDCD	
Nc1ccc(CCNC(=O)N[C@@H]2CCN(C3CC3)C2)cc1	841819790	FUSGUYVMDFMRED-CQSZACIVSA-N	288.395	1.347	10	20	CDCD	
CCOc1ccc(CN[C@@H]2CCCNC2)c(O)c1	841043902	YZMXHKDNNFFIAI-GFCCVEGCSA-N	250.342	1.633	10	20	CDCD	
C[C@@H](NC(=O)N[C@@H]1CCCNC1)c1ccc(N(C)C)cc1	841882402	YNEFGHQLTUSXRH-TZMCWYRMSA-N	290.411	1.865	10	20	CDCD	
COC(=O)[C@@H](C)N[C@@H](C)c1ccc(N2CCOCC2)cc1	743472809	KHEQTYZTHMNKET-QWHCGFSZSA-N	292.379	1.735	10	20	CDCD	
CCCCN(C)CCNC(=O)NCCc1ccc(N)cc1	841812539	XITXTZNHCBYNIT-UHFFFAOYSA-N	292.427	1.842	10	20	CDCD	
CN1CCC(CCO)(NCc2ccc3c(c2)CCO3)CC1	848557260	DAEHBWWBOXLGAE-UHFFFAOYSA-N	290.407	1.558	10	20	CDCD	
CC[C@@H](C)[C@@H](O)CNC(=O)NCCc1ccc(N)cc1	841954091	HPLDKEKDDOISMC-RISCZKNCSA-N	279.384	1.518	10	20	CDCD	
Cc1ccc([C@H](C)NC[C@H](O)Cn2ccnn2)c(O)c1C	840804318	CUXHRDALANEPDQ-STQMWFEESA-N	290.367	1.312	10	20	CDCD	
CCN(CCCO)C(=O)NCCc1ccc(N)cc1	841954222	KCDSRCUNQHWMBZ-UHFFFAOYSA-N	265.357	1.225	10	20	CDCD	
CCCC[C@@H](COC)NC(=O)C(=O)Nc1ccc(N)cc1	841041425	FWMGKSDHERBHQO-ZDUSSCGKSA-N	293.367	1.529	10	20	CDCD	
COC(=O)[C@@H](NC(=O)c1cc(O)cs1)C1CC1	752808242	ROASFKKZMYMLGC-VIFPVBQESA-N	255.295	1.135	10	20	CDCD	
CNC(=O)CCCN(C)Cc1cc(C)cc(OC)c1O	754747785	CGPALGFIDNPQFG-UHFFFAOYSA-N	280.368	1.667	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@H](C)N(C)C	750614928	MEGADVWJUUTLSH-LBPRGKRZSA-N	263.385	1.627	10	20	CDCD	
CNC(=S)N1CCN(c2ccc(OC)cc2OC)CC1	865261250	WUAVYNBZTCHZMY-UHFFFAOYSA-N	295.408	1.330	10	20	CDCD	
CC(C)(C)CCS(=O)(=O)NCc1ccc(O)cc1O	867416991	KRTZFJGLUHQYGR-UHFFFAOYSA-N	287.381	1.953	10	20	CDCD	
CCn1cc(C(=O)NCc2ccc(OC)cc2O)c(C)n1	861489554	FSDMKQHVWRWPNL-UHFFFAOYSA-N	289.335	1.856	10	20	CDCD	
CCOCCONC(=O)N[C@H](C)c1ccccc1O	868511560	NRYHFUKVUMLLNN-SNVBAGLBSA-N	268.313	1.721	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCC(F)F	767925780	VQELOYHKNQFKAY-UHFFFAOYSA-N	299.321	1.059	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)CC[C@]2(C)CCC(=O)N2)c1	862757632	AIWATUHUPZNFNQ-MRXNPFEDSA-N	290.363	1.766	10	20	CDCD	
CCOc1ccc(CNC[C@@H]2CCCS2(=O)=O)c(O)c1	765268351	VYOYCHBJHISEQT-ZDUSSCGKSA-N	299.392	1.458	10	20	CDCD	
Nc1ccc(OCc2cn([C@@H]3CCCC[C@H]3O)nn2)cc1	864621439	KRUKFAFTGHJUIR-HUUCEWRRSA-N	288.351	1.915	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N2CCC[C@H]2CCO)cc1	778261542	NJXPIOKLKNTNJD-HNNXBMFYSA-N	291.395	1.809	10	20	CDCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@H]2NCCN1CCNCC1	1118058065	ITLXDWKYCGQFEX-UONOGXRCSA-N	289.423	1.744	10	20	CDCD	
Cc1cc(C(=O)NCc2ccc(O)c(O)c2)n(C)n1	778919359	APTXPWUQYCQHTR-UHFFFAOYSA-N	261.281	1.070	10	20	CDCD	
Cc1ccc([C@@H](C)N[C@@H]2CCOC[C@H]2O)c(O)c1	872141149	NRTIWJWFVSFVEO-MPKXVKKWSA-N	251.326	1.501	10	20	CDCD	
COc1cc(C)cnc1C(=O)NCCc1ccc(N)cc1	876527513	AACNELVUQZRYFK-UHFFFAOYSA-N	285.347	1.953	10	20	CDCD	
Cc1c(C(=O)NCc2ccc(O)c(O)c2)cnn1C	778918607	LGMIOBMRENNIRF-UHFFFAOYSA-N	261.281	1.070	10	20	CDCD	
C[C@@H](NCCN1CC[C@H](O)C1)c1c(O)cccc1F	886645056	QOVBNWOKJPCDJB-MNOVXSKESA-N	268.332	1.249	10	20	CDCD	
C[C@@H](NCCS(=O)(=O)C1CC1)c1c(O)cccc1F	886626652	HVTXOQKOVYIWAG-SECBINFHSA-N	287.356	1.759	10	20	CDCD	
COc1cc(N2C[C@H]3C[C@]3(CO)C2)c([N+](=O)[O-])cc1OC	782407088	NUFNIUXTNGNSRC-YMTOWFKASA-N	294.307	1.431	10	20	CDCD	
COCC1(C)CN(C(=O)NCc2ccc(N(C)C)cc2)C1	788551356	YLXADGRMHQJPJY-UHFFFAOYSA-N	291.395	1.931	10	20	CDCD	
C[C@@]1(CO)CCCN1Cc1cc2c(cc1O)OCO2	789556542	BUOQCLOUPZMOJR-AWEZNQCLSA-N	265.309	1.468	10	20	CDCD	
COc1ccc(CNCc2ccno2)c(O)c1OC	893549606	YHLNJNJQJRLCJG-UHFFFAOYSA-N	264.281	1.687	10	20	CDCD	
CC[C@@H]1C(=O)NCCN1Cc1cc(F)cc(F)c1O	893999527	RQQBFAPUINVWDR-LLVKDONJSA-N	270.279	1.381	10	20	CDCD	
COC(=O)N1CC(C)(NCc2ccc(C)cc2O)C1	894542489	JYHZZVKRUPMJFV-UHFFFAOYSA-N	264.325	1.631	10	20	CDCD	
COC(=O)[C@@H](CNC(=O)c1cccc(O)c1O)CC(C)C	790776150	FOKNVTIOUPZMEP-SNVBAGLBSA-N	295.335	1.663	10	20	CDCD	
CCc1nc(CNCc2cccc(CC)c2O)n[nH]1	691439373	YDKMMWAVJXYCLV-UHFFFAOYSA-N	260.341	1.925	10	20	CDCD	
CN1C[C@H]2CN(Cc3cc(F)ccc3O)C[C@H]2C1	194537335	VWLBEOMZILCQOR-TXEJJXNPSA-N	250.317	1.525	10	20	CDCD	
COc1cccc(O)c1CN[C@H]1CCN(C)[C@@H](C)C1	742375018	KUHPGLPMUBVXQN-RYUDHWBXSA-N	264.369	1.973	10	20	CDCD	
COc1cccc(O)c1CNC[C@H]1CC[C@H](O)C1	788971985	STJDNAGWNGKDCW-QWRGUYRKSA-N	251.326	1.651	10	20	CDCD	
CO[C@H](CNC(=O)c1cccc(O)c1O)C(F)(F)F	790709828	VSVMMGJJXDGGPA-MRVPVSSYSA-N	279.214	1.405	10	20	CDCD	
CNC[C@@H](C)CNC(=O)N[C@H](C)c1cc(OC)ccc1O	1331456263	PNOHPBYFLGPPJJ-GHMZBOCLSA-N	295.383	1.617	10	20	CDCD	
C[C@H](O)[C@@H](C)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	1356114676	YGIDFPBDFVFZNL-WWGRRREGSA-N	279.428	1.714	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H](CC1CC1)C(=O)O	1601239279	WFYPSEUWOFWKST-QZPNVGJNSA-N	291.303	1.481	10	20	CDCD	
C[C@H](NCc1cccc(Cl)c1O)[C@@H]1CNCCO1	1573578684	KNWYUNIJRSASEP-CABZTGNLSA-N	270.760	1.512	10	20	CDCD	
CC(=O)C(=O)COc1ccc(-c2nn[nH]n2)c(Cl)c1	1588781489	FHASOKKIMKRQMI-UHFFFAOYSA-N	280.671	1.057	10	20	CDCD	
CN(C)c1cc(F)c(CN2CC[C@@H](C(=O)O)C2)cc1F	1593710268	HMKKSJPWXCLSPN-SECBINFHSA-N	284.306	1.937	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)C[C@H]1CCCN1	169104239	LYHRRKZVVFZCCO-CQSZACIVSA-N	275.396	1.819	10	20	CDCD	
C[C@@H](Cc1cnn(C)c1)NC(=O)c1cccc(O)c1O	836980317	QPQUFSZZXXIHEZ-VIFPVBQESA-N	275.308	1.192	10	20	CDCD	
O=C1NCCC[C@H]1CNCc1ccc2c(c1)CCO2	839196365	VAAOPQZOQFAZBL-ZDUSSCGKSA-N	260.337	1.237	10	20	CDCD	
COc1cccc(O)c1CNC[C@@H]1CCCNC1=O	839196284	UMDPCGFPKDWSKQ-JTQLQIEISA-N	264.325	1.017	10	20	CDCD	
COc1ccc(O)c(CN2CC[C@@H](C)[C@H](CN)C2)c1	253184040	HBBXTSLMFPTHAG-DGCLKSJQSA-N	264.369	1.818	10	20	CDCD	
CC(=O)c1cc(F)cc(CN(C)C(C)(C)C(N)=O)c1O	295808103	WQMQECAFSYFIJW-UHFFFAOYSA-N	282.315	1.430	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCCC(F)(F)C1	404729541	HFUINCUYYRZTRL-UHFFFAOYSA-N	257.236	1.969	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2cncc(O)c2)c1	114543914	FXUAOOWXFPIOCU-UHFFFAOYSA-N	274.276	1.431	10	20	CDCD	
COc1ccc(N2CCN(C[C@H](C)OC)CC2)cc1F	182225434	YYMDEHRFMCZWLC-LBPRGKRZSA-N	282.359	1.991	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1CCC[C@@H]1CCO	187789881	FFLYPUCKLZCSGH-MVTQWGDUSA-N	291.347	1.778	10	20	CDCD	
C[C@H](CO)N(C)C(=O)NCc1ccc(N(C)C)cc1	128786864	IINOMRRKXVHKMQ-LLVKDONJSA-N	265.357	1.275	10	20	CDCD	
CONC(=O)NCc1ccc(N2CCOCC2)c(F)c1	48851404	JPRGIZRETNCUGU-UHFFFAOYSA-N	283.303	1.023	10	20	CDCD	
O=C1CNC(=O)N1Cc1ccc(N2CCSCC2)cc1	48374511	ZKKIOCQXCNMZOE-UHFFFAOYSA-N	291.376	1.292	10	20	CDCD	
COC[C@H](C)N(C)Cc1ccc(N2CCOCC2)cc1	133719409	RPFJPRYPGOACQI-AWEZNQCLSA-N	278.396	1.990	10	20	CDCD	
CO[C@H](C)CNC(=O)NCc1ccc(N(C)C)c(F)c1	190414595	ZDPBCIPYBLGNNV-SNVBAGLBSA-N	283.347	1.726	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2Cc1ccnn1C	181135637	DCLJPJFNWDPLKU-UHFFFAOYSA-N	272.352	1.885	10	20	CDCD	
COc1ccc(CNCCCc2cnn(C)c2)c(O)c1	237134409	FABBYHKQUCENAJ-UHFFFAOYSA-N	275.352	1.857	10	20	CDCD	
COC[C@H](CCO)N[C@@H](C)c1ccc(C)cc1O	230663339	NXMKQKPNDFBWNO-RYUDHWBXSA-N	253.342	1.749	10	20	CDCD	
C[C@H]1[C@H](C)S(=O)(=O)CCN1Cc1cc(F)ccc1O	180180131	OMURDONDGLQQEI-UWVGGRQHSA-N	287.356	1.539	10	20	CDCD	
Cc1cccc(CN2CCS(=O)(=O)[C@H](C)[C@@H]2C)c1O	180350592	WLZCSBXHBZCZNT-NWDGAFQWSA-N	283.393	1.708	10	20	CDCD	
C[C@]1(C(N)=O)CCN(Cc2c(O)cccc2Cl)C1	235742336	WJNPLHBYKVMLBK-ZDUSSCGKSA-N	268.744	1.743	10	20	CDCD	
COC(=O)[C@@H]1C[C@@H](O)CN1Cc1cc(Cl)ccc1O	93103148	UOECOFYSRYGQQA-MNOVXSKESA-N	285.727	1.154	10	20	CDCD	
CNC(=O)NC(=O)CN(c1ccc(OC)c(F)c1)C(C)C	263743456	VNZXCOUGDAMSHN-UHFFFAOYSA-N	297.330	1.505	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCO[C@H]([C@H]2CCCO2)C1	363926643	KHIGWCBZEZBHBZ-OLZOCXBDSA-N	293.319	1.118	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1C[C@H]2CC[C@H]1O2	273158667	JVLYPYKJGBKISF-ADGXKJENSA-N	291.347	1.713	10	20	CDCD	
CO[C@H](CNC(=O)c1c(F)ccc(O)c1O)C1CC1	295601203	MZTGKSBFQDPUIS-SNVBAGLBSA-N	269.272	1.392	10	20	CDCD	
CC(C)(C)S(=O)(=O)CC(=O)NCCc1ccc(N)cc1	818545018	ALMBRGGJLXXGMT-UHFFFAOYSA-N	298.408	1.141	10	20	CDCD	
COc1ccc(N2CCC(NC3CNC3)CC2)cc1	817955010	ONZSHYBYBMDZFY-UHFFFAOYSA-N	261.369	1.225	10	20	CDCD	
COc1cc(O)c(CN[C@@H](C)C(=O)OC(C)C)cc1OC	825118419	SZRGWGLZQCJUAV-JTQLQIEISA-N	297.351	1.839	10	20	CDCD	
CCOc1ccc(O)c(CN[C@@H]2COC[C@H]2OCC)c1	825196771	OWMJCGKVZNIBFC-UKRRQHHQSA-N	281.352	1.684	10	20	CDCD	
CO[C@@H]1CN(Cc2cc(Cl)ccc2O)C[C@H]1O	825017205	OMECLBIGJQIAQN-VXGBXAGGSA-N	257.717	1.237	10	20	CDCD	
O=C(NCCCN1CCCCCC1=O)c1cc(O)cs1	732265391	XAUKTRZAEOAALT-UHFFFAOYSA-N	296.392	1.976	10	20	CDCD	
CC(C)[C@H](O)C1(CNC(=O)Cc2ccc(N)cc2)CC1	831518118	MNGJUVAYUNSEOM-HNNXBMFYSA-N	276.380	1.725	10	20	CDCD	
Oc1ccc(Cl)c(F)c1CN[C@@H]1COC[C@H]1O	830648885	UZRPFDSIKAXBSK-PSASIEDQSA-N	261.680	1.034	10	20	CDCD	
COc1ccc(CNC(=O)Nc2nc(C)n(C)n2)c(O)c1	836641619	ODBNCYPQRHFWFY-UHFFFAOYSA-N	291.311	1.159	10	20	CDCD	
COC(=O)[C@H](C)OC(=O)c1ccc(C)c(O)c1O	744910920	TYXXFZLTEPZYJG-ZETCQYMHSA-N	254.238	1.125	10	20	CDCD	
CN(Cc1ccc(N2CCOCC2)cc1)CC1(C)COC1	743839181	KFWQMCBVVYWAHS-UHFFFAOYSA-N	290.407	1.992	10	20	CDCD	
CN1CCCc2cc(CNC(=O)[C@@H]3C[C@H]4C[C@H]4N3)ccc21	844177643	OTVUNPCDVIZNOV-KFWWJZLASA-N	285.391	1.436	10	20	CDCD	
CN(C)c1ccc(CN[C@@H](CO)[C@H]2CCCOC2)cc1F	840963677	SGNYJZNDOHNCSX-ZFWWWQNUSA-N	296.386	1.769	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NC[C@H]2CCCN2)cc1	841653214	IDIOUMDWLUNMFZ-CYBMUJFWSA-N	276.384	1.304	10	20	CDCD	
CC(C)[C@H](CCO)NC(=O)NCCc1ccc(N)cc1	841954764	PFVSBCCFFNCTPU-AWEZNQCLSA-N	279.384	1.518	10	20	CDCD	
Oc1c(Br)cccc1CNC[C@@H]1CCCN1	841035703	KEAWJYDKSDHTEA-JTQLQIEISA-N	285.185	1.996	10	20	CDCD	
COc1ccc(N2CC[C@H](N[C@H]3CCCNC3)C2)cc1	849349526	CCJCSCGVXLPBOG-KBPBESRZSA-N	275.396	1.616	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN[C@@H](CO)[C@@H]1CCCOC1	840964251	VIEPOXBNNURQAI-WBVHZDCISA-N	292.423	1.938	10	20	CDCD	
C[C@@H](CN)NCc1cccc(Br)c1O	841063120	HSHBCXJZZRQZED-ZETCQYMHSA-N	259.147	1.592	10	20	CDCD	
C[C@H]1CCN[C@H](C(=O)NCc2ccc(N(C)C)c(F)c2)C1	844177228	CPTIWISLQULOSB-FZMZJTMJSA-N	293.386	1.896	10	20	CDCD	
CCN(CC)c1ccc(CN(C)C[C@@](C)(O)CNC)cc1	846221526	MTQOOCDXYLFZOM-KRWDZBQOSA-N	293.455	1.935	10	20	CDCD	
CC(C)[C@@H](CNC(=O)NCc1ccccc1O)C(=O)O	848593116	YHHNCWGSMNVIAY-LLVKDONJSA-N	280.324	1.548	10	20	CDCD	
Nc1ccc(CC(=O)Nc2cnn(C3CCNCC3)c2)cc1	843454239	OPHWNIVUXKDAGS-UHFFFAOYSA-N	299.378	1.571	10	20	CDCD	
CCc1cccc(CN[C@@H](CCSC)C(=O)NC)c1O	848911237	DNCDSIBWRLVQQT-ZDUSSCGKSA-N	296.436	1.912	10	20	CDCD	
C[C@@H]1CN(Cc2c(O)ccc(Cl)c2F)C[C@H]1N	843120386	IIZQBSAGYLKFJQ-GMSGAONNSA-N	258.724	1.964	10	20	CDCD	
CN(C)c1ccc([C@H](N)CNCC[C@H]2CCOC2)cc1	841042103	KFCPNVIJBLEJAT-XJKSGUPXSA-N	277.412	1.769	10	20	CDCD	
CC1(C)CC(CNC(=O)C(=O)Nc2ccc(N)cc2)C1	841095711	JPSIUEAEJMUBJA-UHFFFAOYSA-N	275.352	1.760	10	20	CDCD	
CONC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	920872915	YBJGMBPWLYHDTN-LLVKDONJSA-N	279.340	1.445	10	20	CDCD	
CN(CC1(O)CCC1)C(=O)NCc1ccc(N(C)C)cc1	759197518	BPQWUVDOEWHMKQ-UHFFFAOYSA-N	291.395	1.809	10	20	CDCD	
C[C@H]1CCNC(=O)[C@H]1NCc1cc(F)c(N(C)C)cc1F	858161724	DIFAQPMYQRVZAF-XPTSAGLGSA-N	297.349	1.645	10	20	CDCD	
COC[C@H](CCO)NCc1cc(F)c(N(C)C)cc1F	858143840	YEUYDQGHBRGVQF-NSHDSACASA-N	288.338	1.518	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@H]2CCCc3nn[nH]c32)c1	862755836	ZKMXJBLWHXLSLZ-NSHDSACASA-N	286.335	1.555	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)CSc2nncs2)c1	862759072	UOSJXTHFVNDGGB-UHFFFAOYSA-N	295.389	1.961	10	20	CDCD	
CCOc1ccc(CN2CCOC[C@H]2C(=O)OC)c(O)c1	769398086	FSOKEPCNNQLTAO-ZDUSSCGKSA-N	295.335	1.165	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNc1nccc(CO)n1	767194856	OWMWLGYCZCTBLL-UHFFFAOYSA-N	272.352	1.955	10	20	CDCD	
C[C@@H](NC(=O)NCCn1cccn1)c1ccccc1O	868361318	VZANHJLPQIKSHQ-LLVKDONJSA-N	274.324	1.649	10	20	CDCD	
CC(C)CC[C@@H](N)C(=O)NCCc1ccc(N)cc1	876528578	ZBHXOUOOMBCCBY-CQSZACIVSA-N	263.385	1.691	10	20	CDCD	
C[C@H](NC(=O)[C@@H](C)S(C)(=O)=O)c1ccc(N(C)C)cc1	773018095	HENWHKLSXQSKEI-WDEREUQCSA-N	298.408	1.363	10	20	CDCD	
Cc1ccc(C(=O)N2CC[C@H](O)[C@H](C)C2)c(O)c1O	779270600	YCNHZFNGTISDKN-KOLCDFICSA-N	265.309	1.249	10	20	CDCD	
COc1cccc(CNC(=O)c2ccn(C(F)F)n2)c1O	775781040	XJXFOSWXHBOPQS-UHFFFAOYSA-N	297.261	1.922	10	20	CDCD	
Cc1ccc(CNCC(=O)NCC(F)(F)F)c(O)c1	876992753	JWANUPHBOYSLEO-UHFFFAOYSA-N	276.258	1.469	10	20	CDCD	
O=C(OCCCNC(=O)C(F)(F)F)c1cc(O)cs1	774949002	OUJXLZBNKZXLFR-UHFFFAOYSA-N	297.254	1.679	10	20	CDCD	
CN(Cc1ccccc1O)c1nc(O)c2cnn(C)c2n1	771256503	MKXNYCBFSQLULH-UHFFFAOYSA-N	285.307	1.411	10	20	CDCD	
Oc1c(F)cc(F)cc1CNCCCO[C@@H]1CCOC1	883037771	LGDFVYOSTPCELM-GFCCVEGCSA-N	287.306	1.956	10	20	CDCD	
CCOc1ccc(CN(C)[C@H](C)C[S@](C)=O)c(O)c1	776522057	YFCAVZXPEKNSOY-WYRIXSBYSA-N	285.409	1.990	10	20	CDCD	
CNC(=O)[C@H]1CCC[C@H]1NCc1cc(OC)ccc1O	776253582	YFTJGWGGUBGESR-QWHCGFSZSA-N	278.352	1.405	10	20	CDCD	
CC[C@]1(O)CCN(Cc2ccc(N3CCOCC3)cc2)C1	779217186	QNRVUKGVZZBBEV-KRWDZBQOSA-N	290.407	1.870	10	20	CDCD	
C[C@@H](NCc1nnnn1CC1CC1)c1c(O)cccc1F	886592480	VHDSXHQKWBMFIT-SECBINFHSA-N	291.330	1.779	10	20	CDCD	
COCC1(S(=O)(=O)Nc2ccc(O)cc2Cl)CC1	882750751	LHWMGUTZBHSKET-UHFFFAOYSA-N	291.756	1.966	10	20	CDCD	
COCCOCCNCc1ccc(OC)c(OC)c1O	892675188	XAENMPMPQSZXQA-UHFFFAOYSA-N	285.340	1.162	10	20	CDCD	
C[C@H](NC(=O)N1CCOCCN1)c1ccc(N(C)C)cc1	894286283	NTBYYNOMHRMORN-LBPRGKRZSA-N	292.383	1.360	10	20	CDCD	
CC1(C)CNC(=O)[C@H]1NCc1cc(Cl)cc(F)c1O	895316914	SJILSIMAFOMLFR-LLVKDONJSA-N	286.734	1.799	10	20	CDCD	
COc1ccc(CN2C[C@H]3C[C@]3(CO)C2)c(O)c1OC	893888650	LSKDXEBGZAGBDU-IAQYHMDHSA-N	279.336	1.224	10	20	CDCD	
CCCN(CC(N)=O)Cc1ccc(OC)c(OC)c1O	894591965	JAQKEGCIWFJLJA-UHFFFAOYSA-N	282.340	1.107	10	20	CDCD	
COc1ccc(O)c([C@@H](C)N[C@H]2CCCN(C)C2=O)c1	704374480	AADHTQRVPBFIKS-MFKMUULPSA-N	278.352	1.672	10	20	CDCD	
COc1ccc(CNC(=O)c2ccn(C)c(=O)c2)c(O)c1	794371241	ZQYVEWQEAWPDOB-UHFFFAOYSA-N	288.303	1.030	10	20	CDCD	
Cc1cc(C(=O)NCCc2ccc(O)c(O)c2)nn1C	762263406	HCKFKZKBOXLZKT-UHFFFAOYSA-N	275.308	1.112	10	20	CDCD	
CN(CCN1CCNCC1)Cc1ccc(N(C)C)cc1	71148718	VZOKZBCQTAOWIO-UHFFFAOYSA-N	276.428	1.090	10	20	CDCD	
COCC[C@@H](C)NC(=O)NCc1ccc(OC)cc1O	792888459	WAYCQXHYQFNVSS-SNVBAGLBSA-N	282.340	1.625	10	20	CDCD	
CCO[C@H]1COCC[C@@H]1NC(=O)c1cccc(O)c1O	790933732	XYGJNPLKLPKOBK-JQWIXIFHSA-N	281.308	1.022	10	20	CDCD	
COc1ccc(CNS(=O)(=O)CCC(C)C)c(O)c1	795359016	ZFRZEGTUUZPVRF-UHFFFAOYSA-N	287.381	1.866	10	20	CDCD	
Nc1ccc(CNC(=O)N2CCC(F)CC2)cc1	1353531606	IQOGMPQEAXEKBT-UHFFFAOYSA-N	251.305	1.912	10	20	CDCD	
COc1cc(O)c(CN(C)CCCC(=O)O)cc1OC	1604731282	DZWUCWGLVPNWSQ-UHFFFAOYSA-N	283.324	1.706	10	20	CDCD	
CON(C)CCN[C@@H](C)c1cc(C(=O)O)ccc1O	1599316750	PRORZECWHRXFST-VIFPVBQESA-N	268.313	1.234	10	20	CDCD	
C[C@@H](/C=C/C(=O)O)NC(=O)c1ccc(N=NC(N)=O)cc1	1592202503	CZWKJXLOBSKNHZ-CPKIJXBISA-N	290.279	1.608	10	20	CDCD	
C[C@@H](O)[C@H](NCc1cc(Cl)cc(F)c1O)C(=O)O	1599845358	WQNBMHKSTKTNIL-ANLVUFKYSA-N	277.679	1.108	10	20	CDCD	
COC[C@@H](CC(=O)O)NCc1ccc(N(C)C)cc1	1777228309	BGRPEIRINVDJEE-GFCCVEGCSA-N	266.341	1.332	10	20	CDCD	
O=C(NCCNCc1ccc2c(c1)CCO2)C1CC1	48609503	PRYKYFMVFUHDDK-UHFFFAOYSA-N	260.337	1.237	10	20	CDCD	
COC1(C(=O)NCc2ccccc2O)CCOCC1	285455298	ZOSOQIZZYFKXET-UHFFFAOYSA-N	265.309	1.204	10	20	CDCD	
Cc1nnsc1CNCc1cc2c(cc1O)OCO2	291735518	OFURLZCCZOKRPN-UHFFFAOYSA-N	279.321	1.571	10	20	CDCD	
COCCN(C)CCN[C@H](C)c1ccc(C)cc1O	61375874	SREQXLWGCSNNMX-CYBMUJFWSA-N	266.385	1.929	10	20	CDCD	
Cn1cc(NC(=O)NCCc2ccc(O)c(O)c2)cn1	134532393	MVUQHIHKZYFSPC-UHFFFAOYSA-N	276.296	1.196	10	20	CDCD	
CCOc1cccc(CNCCC[S@@](C)=O)c1O	116919712	ICWZGHIZQPHMJS-SFHVURJKSA-N	271.382	1.649	10	20	CDCD	
O=C(NCc1cccc(O)c1O)[C@H]1CCN1C1CCCC1	1352672716	XDOYXXDYVYNWMM-CYBMUJFWSA-N	290.363	1.731	10	20	CDCD	
O=C(C[C@@H]1C[C@H]2CC[C@H]1O2)NCc1cccc(O)c1O	1352669758	LGBMPSKXMASILP-DMDPSCGWSA-N	277.320	1.672	10	20	CDCD	
Cc1cccc(-n2c(C)cc(C(=O)NCC(N)=O)c2C)c1	67246822	WCTHWWJZEDTFKD-UHFFFAOYSA-N	285.347	1.618	10	20	CDCD	
COc1ccc(N2CCC(NC(=O)[C@@H](C)O)CC2)cc1	136840410	CHAHFODEKPCZEK-LLVKDONJSA-N	278.352	1.161	10	20	CDCD	
COC(=O)[C@H]1COCCN1Cc1cc(Cl)ccc1O	360079701	PPOIXOXWWKGYES-LLVKDONJSA-N	285.727	1.419	10	20	CDCD	
Cn1ncc(C(=O)NCc2c(O)ccc3c2CCCC3)n1	285453603	ZMTLXDSGJHXHFB-UHFFFAOYSA-N	286.335	1.330	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)C[C@H]1CCCC(=O)N1	289036024	AHKWDJPZPHMARW-GFCCVEGCSA-N	276.336	1.409	10	20	CDCD	
COCCCONC(=O)NCc1cccc(OC)c1O	288787573	YYYRKTRXYGTRMX-UHFFFAOYSA-N	284.312	1.168	10	20	CDCD	
COC[C@@]1(C(=O)OC)CCN(Cc2cc(C)ccc2O)C1	294914531	AJJCSJZOVKZJNO-MRXNPFEDSA-N	293.363	1.712	10	20	CDCD	
O=C(NCc1ccccc1O)Nc1cccc2c1CNC2=O	806753781	YXTHGNAJNKIEDW-UHFFFAOYSA-N	297.314	1.957	10	20	CDCD	
COC(=O)c1cnoc1COC(=O)c1cc(O)cs1	803346187	PFLKUVJZWBZJKU-UHFFFAOYSA-N	283.261	1.585	10	20	CDCD	
CC(C)(C)OC(=O)C1CN(C(=O)c2cccc(O)c2O)C1	295869184	FODNRGZEAYFVOG-UHFFFAOYSA-N	293.319	1.512	10	20	CDCD	
CC1CC(N2C(=O)CN(Cc3ccccc3O)C2=O)C1	819167347	AMUOXIFDJDJESO-UHFFFAOYSA-N	274.320	1.955	10	20	CDCD	
COc1ccc(CNC(=O)[C@H]2C[C@H](C)CCN2)c(O)c1	818000981	WUIYKGSWENWRDM-ZWNOBZJWSA-N	278.352	1.405	10	20	CDCD	
C[C@H](N)CC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	827726156	SLWJIRBLFBEJQH-QWHCGFSZSA-N	291.395	1.438	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)C[C@H](N)C2CC2)c1	828668229	ZTAZXXOOFVZYJK-RNCFNFMXSA-N	278.352	1.705	10	20	CDCD	
COC(=O)Cn1ccc(NC(=O)c2cc(O)cs2)n1	732284471	RTWRCWXRQXDAPP-UHFFFAOYSA-N	281.293	1.076	10	20	CDCD	
Nc1ccc(CC(=O)NS(=O)(=O)C2CCCCC2)cc1	901016827	BWBKUPACQRDCJL-UHFFFAOYSA-N	296.392	1.590	10	20	CDCD	
Cn1ncc(C2CC2)c1C(=O)NCc1ccccc1O	830526379	KXRNIQOVOKZVQF-UHFFFAOYSA-N	271.320	1.933	10	20	CDCD	
COC(=O)[C@@H]1C[C@H](O)CN(Cc2ccc(N(C)C)cc2)C1	830865546	NYVJCDMIACWOTR-HIFRSBDPSA-N	292.379	1.108	10	20	CDCD	
C[C@H]1C[C@@H](C)CN1Cc1cc(O)n2ncc(C(=O)O)c2n1	737745667	WYRWYGDKWJZCRJ-BDAKNGLRSA-N	290.323	1.363	10	20	CDCD	
O=C1NCCC[C@H]1CNCc1cc(Cl)cc(F)c1O	839195850	OKUNOGOESCPULV-QMMMGPOBSA-N	286.734	1.801	10	20	CDCD	
CCc1nnc(C)cc1C(=O)NCc1ccc(O)cc1O	910949077	DYTIVGGFDYGWKK-UHFFFAOYSA-N	287.319	1.689	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1CC[C@](C)(C(N)=O)C1	840940964	KTPAVRCEVXXZTD-INIZCTEOSA-N	275.396	1.758	10	20	CDCD	
CCc1noc(CN(C)c2ccc(OCC(=O)O)cc2)n1	846279423	DLJCHDTXWMOSRD-UHFFFAOYSA-N	291.307	1.732	10	20	CDCD	
CCOc1ccc(CNC[C@H]2CCCNC2)c(O)c1	841033220	PZHMJZVAPGCSFJ-LBPRGKRZSA-N	264.369	1.880	10	20	CDCD	
COc1cccc([C@@H](C)N[C@@H](C)C(=O)N(C)C)c1O	846165467	MSYWKVYSUOLLNA-ZJUUUORDSA-N	266.341	1.528	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)N2CC[C@H](N)C2)cc1	841720273	UCSGADXNOOHUBS-AWEZNQCLSA-N	290.411	1.775	10	20	CDCD	
CC(C)NC(=O)CN[C@H](C)c1cc(F)cc(F)c1O	756364862	WJAQEFSYDJSHLT-MRVPVSSYSA-N	272.295	1.846	10	20	CDCD	
Cn1ncc(CCCNCc2ccc3c(c2)CCCO3)n1	922145726	CDLXEBGXOVJGMI-UHFFFAOYSA-N	286.379	1.863	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H]2COCO2)c1	923856522	PWMXFARDRNYBBI-GXSJLCMTSA-N	296.323	1.134	10	20	CDCD	
CCS(=O)(=O)C1CN(Cc2ccc(N(C)C)c(C)c2)C1	852138394	CFQBXWKTMWTUAJ-UHFFFAOYSA-N	296.436	1.680	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN(C)[C@@]1(CO)CCOC1	862427732	DTHJZBDGQHSXGH-MRXNPFEDSA-N	278.396	1.644	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)Nc2nc(C)n(C)n2)c1	861139707	XZGDBEOCPBCNOE-UHFFFAOYSA-N	275.312	1.459	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)c1ccc(O)c(F)c1	768296295	VMZORHXXFNETPY-UHFFFAOYSA-N	277.251	1.873	10	20	CDCD	
Cc1cc(S(=O)(=O)N(C)Cc2ccccc2O)sn1	866833687	DEYQQYGJSYTHPY-UHFFFAOYSA-N	298.389	1.978	10	20	CDCD	
Cc1nc[nH]c1C(=O)NCc1ccc(N(C)C)c(F)c1	874251153	GNOHANKKDOVGID-UHFFFAOYSA-N	276.315	1.853	10	20	CDCD	
CCN(CCOCCO)Cc1ccc(C)cc1O	877500603	VIEAYLJWUDONAO-UHFFFAOYSA-N	253.342	1.531	10	20	CDCD	
C[C@@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)CC[C@@H]1O	779267165	GGRAEGCGJOQVHF-PEWKINPCSA-N	277.320	1.340	10	20	CDCD	
CONC(=O)C1CCN(Cc2ccc(N(C)C)cc2)CC1	877787895	RDQNZHMSMKHQAY-UHFFFAOYSA-N	291.395	1.642	10	20	CDCD	
Cc1ccc(C(=O)N(C)CC2(N(C)C)CCC2)c(O)c1O	783860535	NIXOETIPAHRUSB-UHFFFAOYSA-N	292.379	1.963	10	20	CDCD	
CCOc1cccc(CNC2(C)CN(C(=O)OC)C2)c1O	894542553	MYQSWPSXWXXXFU-UHFFFAOYSA-N	294.351	1.721	10	20	CDCD	
CCS(=O)(=O)C1CN(Cc2cc(F)cc(F)c2O)C1	894907997	BWIDEPWSBASJST-UHFFFAOYSA-N	291.319	1.289	10	20	CDCD	
CS[C@@H](CO)[C@H](C)NCc1ccc2c(c1)CCO2	219065570	AKXQTUPCAUHDLY-HZMBPMFUSA-N	267.394	1.824	10	20	CDCD	
CCN[C@@H](C)C[C@@H](C)NC(=O)c1cc(OC)nc(OC)c1	1134871040	CBONRJBZBZRFAA-WDEREUQCSA-N	295.383	1.605	10	20	CDCD	
COC(=O)NCCCC(=O)NCc1ccc(OC)cc1O	794378396	GIHYHLSCLIJWJV-UHFFFAOYSA-N	296.323	1.153	10	20	CDCD	
CCCCOCC(=O)NCc1ccc(OC)cc1O	794381261	NTZYVZOLNQKRDM-UHFFFAOYSA-N	267.325	1.834	10	20	CDCD	
NC(=O)N=Nc1ccc(C(=O)NCCNCCCF)cc1	1153047470	FOKAJVRPGSBXHE-UHFFFAOYSA-N	295.318	1.528	10	20	CDCD	
COC(=O)[C@@H](NCc1cc(C)c(C)cc1O)[C@@H](C)O	1332027218	ZQTWWPHGVGNYSA-MFKMUULPSA-N	267.325	1.021	10	20	CDCD	
O=C(NCc1cccc(O)c1O)[C@H]1C[C@H]2CC[C@H]1O2	1521851618	NSKRJGIRYTZAHS-JFGNBEQYSA-N	263.293	1.282	10	20	CDCD	
Cc1ccc(C(=O)N2CC[C@@H](C(=O)O)C[C@H]2C)c(O)c1O	1600334558	CGXNDXUPYRSEKC-NXEZZACHSA-N	293.319	1.732	10	20	CDCD	
C[C@H](NC(=O)NC[C@@H]1CCN1)c1ccc(N(C)C)cc1	1576207507	MTQHJBHXQAUZSO-AAEUAGOBSA-N	276.384	1.475	10	20	CDCD	
CO[C@H](CN)CC(=O)N(C)Cc1ccc(N(C)C)cc1	232115530	WZGVWPWINCBZFB-AWEZNQCLSA-N	279.384	1.075	10	20	CDCD	
CN(C)c1ccc(CN2CCCNC[C@@H]2C(=O)O)cc1F	1598317711	KGCQAWBQUHIAJJ-CQSZACIVSA-N	295.358	1.140	10	20	CDCD	
C[C@@H](NC(=O)C12CC(C(=O)O)(C1)C2)c1ccccc1O	1599837664	NGRRYHZTCHUDES-WFJJYUMRSA-N	275.304	1.824	10	20	CDCD	
COc1cc(CN2CCOC[C@@H]2CC(=O)O)c(O)cc1C	1599408177	MADQDSHLYHEQRZ-LBPRGKRZSA-N	295.335	1.385	10	20	CDCD	
COc1cccc(CNCC(=O)NCC(C)C)c1O	134638702	HDQQGRBZFMUORI-UHFFFAOYSA-N	266.341	1.263	10	20	CDCD	
C[C@@H](NC(=O)[C@@H]1CCCNCC1)c1ccccc1O	877255964	LFBOZOWYTFGUJE-VXGBXAGGSA-N	262.353	1.959	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CCOC[C@@H]2C)c1O	37323411	SQTQMNBMMJGMJE-VIFPVBQESA-N	267.300	1.955	10	20	CDCD	
CCc1cccc(CNC[C@H](O)C(F)(F)F)c1O	691501039	SUPXWCJIOPOMDT-JTQLQIEISA-N	263.259	1.967	10	20	CDCD	
OC[C@@H](CC(F)F)NCc1cc2c(cc1O)OCO2	717812486	VZONPIRCESFNJM-MRVPVSSYSA-N	275.251	1.227	10	20	CDCD	
CS(=O)(=O)[C@@H]1CCCN(Cc2ccc(N)cc2)C1	386458768	DXXXMDGDWPDVQF-CYBMUJFWSA-N	268.382	1.278	10	20	CDCD	
COCC(COC)NCc1ccc(N(C)C)cc1	388390506	BPHKDWRZYRZKFP-UHFFFAOYSA-N	252.358	1.504	10	20	CDCD	
CC[C@H](O)CN(C)Cc1ccc(N2CCOCC2)cc1	106381807	ZWABYLCERMQRMV-INIZCTEOSA-N	278.396	1.726	10	20	CDCD	
O=C(O)c1ccc2c(c1)CCN2C(=O)c1cccc(O)c1O	318787749	PGTRSOGGIKMRMM-UHFFFAOYSA-N	299.282	1.999	10	20	CDCD	
CC[C@H](CCO)NCc1cc2c(cc1O)OCO2	123847725	MFULTZGXYNHDKL-SNVBAGLBSA-N	253.298	1.372	10	20	CDCD	
Cc1n[nH]nc1C(=O)NCc1c(O)ccc2c1CCCC2	194368426	ZIYPDIQVFWKPKY-UHFFFAOYSA-N	286.335	1.628	10	20	CDCD	
COc1ccc(O)c(CN2CCS(=O)(=O)C[C@H](C)C2)c1	192063351	MOQAZLHBCYJCTE-LLVKDONJSA-N	299.392	1.267	10	20	CDCD	
CN(C)c1ccc(CNC(=O)C(=O)C(C)(C)C)cc1	265040640	MKQUDSQIKPNWSH-UHFFFAOYSA-N	262.353	1.984	10	20	CDCD	
O=C(NCCCOCC1CC1)c1c(F)ccc(O)c1O	276748042	VQKXFSXPAILBIE-UHFFFAOYSA-N	283.299	1.783	10	20	CDCD	
COc1cccc(CNC(=O)NCc2ncoc2C)c1O	271838327	VJHOPUXTGFQOMF-UHFFFAOYSA-N	291.307	1.697	10	20	CDCD	
Cc1cc(O)c(CN2CCNC(=O)C[C@H]2C)cc1C	368137214	YFFUGUBAQFSHNQ-GFCCVEGCSA-N	262.353	1.719	10	20	CDCD	
CCC(C)(C)N[C@H](C)C(=O)NCCc1ccc(O)c(O)c1	273222647	PQZWUIXZWFUGOU-LLVKDONJSA-N	294.395	1.923	10	20	CDCD	
O=C(N[C@@H]1CCCc2cn[nH]c21)c1cccc(O)c1O	279687654	BHMXAIPZJMSAJZ-SNVBAGLBSA-N	273.292	1.628	10	20	CDCD	
COCCCCNC(=O)NCc1ccccc1O	299529874	SCBSWMQDALJTLI-UHFFFAOYSA-N	252.314	1.618	10	20	CDCD	
CC[C@H](CO)N(C)Cc1cc(OC)c(OC)cc1O	294671028	ANGPMQWFLMFKGK-LLVKDONJSA-N	269.341	1.612	10	20	CDCD	
C[C@@H](OC[C@@H]1CCCO1)C(=O)NCc1ccccc1O	299617477	YUYCXOAAROCWPJ-YPMHNXCESA-N	279.336	1.593	10	20	CDCD	
O=C(CNCc1ccc(N2CCCC2)cc1)NCC(F)F	393682629	LDVNPWZCSIHXEB-UHFFFAOYSA-N	297.349	1.758	10	20	CDCD	
NC(=O)[C@@H]1CN(Cc2ccc3ccccc3c2O)CCO1	816499667	WUOFPSOUTQBOMY-AWEZNQCLSA-N	286.331	1.232	10	20	CDCD	
CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2CC(=O)N2)cc1	819974962	WMZPRTKXXSBAES-AWEZNQCLSA-N	289.379	1.380	10	20	CDCD	
C[C@H](NCC1(CC(N)=O)CC1)c1cc(F)cc(F)c1O	817586031	KZLZJKVKJLJMEO-QMMMGPOBSA-N	284.306	1.977	10	20	CDCD	
O=C(Cc1cncc(O)c1)NCc1ccccc1O	816911921	DIPFYNKAUVDOOB-UHFFFAOYSA-N	258.277	1.352	10	20	CDCD	
O=CN1CCCN(Cc2c(O)cccc2Cl)CC1	827871847	JOUUDSTYYJGADG-UHFFFAOYSA-N	268.744	1.710	10	20	CDCD	
COCCCOCC(=O)N[C@H](C)c1ccccc1O	827941103	MGQFIPHXKJXYIH-LLVKDONJSA-N	267.325	1.623	10	20	CDCD	
C[C@]1(C(=O)O)CCCN1Cc1cccc(F)c1O	903696913	CHLPGVYXKYHNIO-CYBMUJFWSA-N	253.273	1.970	10	20	CDCD	
COC(=O)C[C@@H](NC(=O)Cc1ccc(N)cc1)C1CC1	831146300	DMIWHGFSVLRJEJ-CYBMUJFWSA-N	276.336	1.269	10	20	CDCD	
O=C(N[C@H]1CC12CCOCC2)c1cc(O)cs1	839782771	QBGNVYBXNPECIR-JTQLQIEISA-N	253.323	1.753	10	20	CDCD	
C[C@@H]1CC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)O1	837282173	HANLXBMAHIUGEE-UHLPNAGUSA-N	277.320	1.795	10	20	CDCD	
O=S(=O)(CCN[C@H]1CCc2cccc(O)c21)CC1CC1	834685495	XPUFRYMQXPYOOK-ZDUSSCGKSA-N	295.404	1.794	10	20	CDCD	
Nc1ccc(CCNS(=O)(=O)CC[C@H]2CCCO2)cc1	842823709	YUWFUGZDSPBMOH-CQSZACIVSA-N	298.408	1.300	10	20	CDCD	
CO[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc(N)cc2)C1(C)C	841065084	MPYQPZNVFXVUNM-NWDGAFQWSA-N	291.351	1.137	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2CC[C@H](N)C[C@@H]2C)c1O	846702193	GGRBYYJHYJWBIK-ONGXEEELSA-N	295.339	1.621	10	20	CDCD	
COc1ccc(CNC(=O)N[C@@H](CN)CC(C)C)c(O)c1	841955170	ZXTBXHBGHXJDQA-GFCCVEGCSA-N	295.383	1.573	10	20	CDCD	
COc1cccc([C@H](C)NC[C@H](CO)[C@H]2CCOC2)c1O	846166588	AKAORRAZTRXVBF-RWMBFGLXSA-N	295.379	1.696	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)[C@H]1CCn2ccnc2C1	910944122	KVVCRQLNNVNQRK-JTQLQIEISA-N	287.319	1.173	10	20	CDCD	
COC[C@@H](O)CNCc1ccc(N(C)C)cc1C	840943385	PSPHJYGDJRJWQR-AWEZNQCLSA-N	252.358	1.158	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1CCN(C)C(=O)[C@@H]1C	840937057	FZRPFOAJUDBNIN-ZDUSSCGKSA-N	275.396	1.724	10	20	CDCD	
CC1(C)C[C@@](C)(NC(=O)c2cc(O)cs2)C(=O)O1	854669252	ITETZZAIMULZET-GFCCVEGCSA-N	269.322	1.668	10	20	CDCD	
O=C(Cn1cccn1)NCc1cc(Cl)ccc1O	857547462	FPFALMCGYRACPZ-UHFFFAOYSA-N	265.700	1.559	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1CCN1C	925399932	QUVLFATVIBVEQM-OAHLLOKOSA-N	290.411	1.598	10	20	CDCD	
Cc1noc(-c2cc(NS(C)(=O)=O)ccc2O)n1	758293986	VFALSHDBZIUIBC-UHFFFAOYSA-N	269.282	1.122	10	20	CDCD	
COc1cccc(O)c1CN1CCC2(C1)OCCO2	769318714	JWCFHVXOBUUFEL-UHFFFAOYSA-N	265.309	1.350	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@H]2CCc3nccn3C2)c1	862754749	IYLYPLCCVQSKLY-LBPRGKRZSA-N	285.347	1.776	10	20	CDCD	
Cc1cc(O)c(CN(CCO)CCO)cc1Cl	862429078	AMHDAYIPPZQLGG-UHFFFAOYSA-N	259.733	1.141	10	20	CDCD	
COCCN(CCO)Cc1cc(Cl)cc(F)c1O	775679319	WUAAMOXQULTCJV-UHFFFAOYSA-N	277.723	1.625	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1C[C@@H](CO)[C@@H](CO)C1	877764258	YHYYBRQAPKTXNG-GASCZTMLSA-N	278.396	1.094	10	20	CDCD	
Cc1ccc(CNC2COC(C)(C)OC2)c(O)c1	877339394	ZDBPBHAMFHQVKH-UHFFFAOYSA-N	251.326	1.942	10	20	CDCD	
Cc1cccc(O)c1CNCCN1CCCOCC1	877526989	HKHPIFMFQKQJGU-UHFFFAOYSA-N	264.369	1.513	10	20	CDCD	
CN(C(=O)C(C)(C)n1ccc(N)n1)c1ccc(N)cc1	877074977	WWKIDMDJJIPPHD-UHFFFAOYSA-N	273.340	1.446	10	20	CDCD	
CNC[C@H]1CCN(Cc2cccc(OC)c2O)C1	71141866	JQTFQLKRQPDKHG-LLVKDONJSA-N	250.342	1.442	10	20	CDCD	
CCn1[nH]c(C)nc1=NC(=O)NCc1ccccc1O	888526125	CYWNTQLGPFJCFW-UHFFFAOYSA-N	275.312	1.056	10	20	CDCD	
COCCOC(=O)N1CCN(c2ccc(OC)cc2)CC1	884875959	QTKPJULMEKPYQA-UHFFFAOYSA-N	294.351	1.600	10	20	CDCD	
Cc1ccc(C(=O)NCCOC[C@@H]2CCOC2)c(O)c1O	780935168	QTJMISSENBWIQW-LLVKDONJSA-N	295.335	1.189	10	20	CDCD	
C[C@@H](N[C@@H](CO)C1CCOCC1)c1ccccc1O	783533501	RHQFQKPEQHBUAS-RISCZKNCSA-N	265.353	1.830	10	20	CDCD	
C[C@@H]1CN(Cc2cc(F)cc(F)c2O)CC[C@H]1O	894497752	PXGURUNVHIQPHX-PRHODGIISA-N	257.280	1.873	10	20	CDCD	
C[C@H]1CC(NC(=O)c2cccc(O)c2O)C[C@H](C)O1	193151371	JTOFEPVLURPWLL-IUCAKERBSA-N	265.309	1.784	10	20	CDCD	
COc1ccc(CNC(=O)c2ccnc(O)c2)c(O)c1	794389604	AQXPHARGXXRCAF-UHFFFAOYSA-N	274.276	1.431	10	20	CDCD	
CCNC(=O)[C@H](C)NCc1c(O)ccc(Cl)c1F	790948165	YQHXACUPZFFIAZ-ZETCQYMHSA-N	274.723	1.799	10	20	CDCD	
O=C(O)CC1CC(NC(=O)c2cccc(O)c2O)C1	718063514	MLRYFTXPVVONAD-UHFFFAOYSA-N	265.265	1.081	10	20	CDCD	
C[C@H]1[C@@H](C)N(C)CCN1C(=O)c1cccc(O)c1O	790911704	KOAADBNDQHLVJN-ZJUUUORDSA-N	264.325	1.262	10	20	CDCD	
CN(C)[C@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)C1CC1	1323566167	GGKWLQBEYMASSI-FLUIGGAXSA-N	290.363	1.567	10	20	CDCD	
Nc1ccc(CN2CCOCC3(CCOCC3)C2)cc1	1336287260	ZSKCFVWHUDYDAF-UHFFFAOYSA-N	276.380	1.898	10	20	CDCD	
COc1cccc(CNC(=O)NC[C@@H]2CNC[C@H]2C)c1O	1336174268	DFEDMPJAWPJZMC-PWSUYJOCSA-N	293.367	1.056	10	20	CDCD	
CN1CCC[C@H](NCc2ccc(N3CCCC3)cc2)C1=O	1331248779	ANFIYXCCRPTVEZ-INIZCTEOSA-N	287.407	1.997	10	20	CDCD	
Oc1cc2c(cc1CN1CCc3ncncc3C1)[C@@H](O)CO2	1331066679	NGHIRXZKQXPKFS-HNNXBMFYSA-N	299.330	1.166	10	20	CDCD	
Nc1ccc(CNC(=O)N(C[C@@H]2CCOC2)C2CC2)cc1	1337026456	ZJOMDVDAKMTIJV-ZDUSSCGKSA-N	289.379	1.979	10	20	CDCD	
Cc1nnc(CNC(=O)NCc2cc(Cl)ccc2O)o1	1347189683	XOJVMLDTZBLUFI-UHFFFAOYSA-N	296.714	1.736	10	20	CDCD	
C[C@@H](NCCOCCN(C)C)c1ccc(N(C)C)cc1	219313917	RTFSUPHSPDSQMM-CQSZACIVSA-N	279.428	1.981	10	20	CDCD	
Cc1nn(C)c(C)c1[C@@H](O)CNC(=O)c1cc(O)cs1	1529381518	WOPMFNCVKPUFIX-JTQLQIEISA-N	295.364	1.267	10	20	CDCD	
C[C@]1(O)CCCN(C(=O)c2cccc(O)c2O)CC1	230355901	UPBCUCPMFQVVER-AWEZNQCLSA-N	265.309	1.475	10	20	CDCD	
CCOC(=O)c1nn(C)cc1CNCc1ccc(N)cc1	1578069077	PKXDNYWTOYRSLS-UHFFFAOYSA-N	288.351	1.469	10	20	CDCD	
COc1cc(C)cc(CN[C@@H]2CNCC2(C)C)c1O	1579144255	ALOZFYBZIFIAAK-CYBMUJFWSA-N	264.369	1.797	10	20	CDCD	
C[C@H](CN[C@H](C)c1cc([N+](=O)[O-])ccc1O)C(=O)O	1589067455	NCVVBVGQSNAYKO-HTQZYQBOSA-N	268.269	1.672	10	20	CDCD	
CC[C@H](CO)NC(=O)NCc1ccc(N2CC=CC2)cc1	155715247	GDQDBXNEDYDELL-CQSZACIVSA-N	289.379	1.633	10	20	CDCD	
Cc1ccc(O)c(CN2CC[C@@H](C(=O)N(C)C)C2)c1	840957128	FOGQKNVCHIYGOO-GFCCVEGCSA-N	262.353	1.611	10	20	CDCD	
COC[C@H](C)OC[C@H](O)CN(C)c1ccc(OC)cc1	844353211	RAEDRUXBCUILNY-GXTWGEPZSA-N	283.368	1.544	10	20	CDCD	
COC(=O)[C@H](C)CN(C)C(=O)Cc1ccc(N)cc1	37823458	AGQJBKBMZQJESZ-SNVBAGLBSA-N	264.325	1.079	10	20	CDCD	
C[C@@H](NCCCn1cncn1)c1cc(F)ccc1O	381659226	DKQGCAMTXNXGLK-SNVBAGLBSA-N	264.304	1.864	10	20	CDCD	
Nc1ccc(CC(=O)N2CC[C@H]3OCCC[C@@H]3C2)cc1	1326688172	PKPSORCVBATZPQ-UKRRQHHQSA-N	274.364	1.839	10	20	CDCD	
CCN1CCO[C@@H](C(=O)N(C)Cc2ccccc2O)C1	177077282	SBDGFEDSXAAAND-CQSZACIVSA-N	278.352	1.071	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2ccc(C)[nH]c2=O)c1	114542995	TURJKUHTGRSGTK-UHFFFAOYSA-N	288.303	1.328	10	20	CDCD	
COc1cccc(CN[C@H](CC(C)C)C(=O)O)c1O	43432028	BRVQYCSUDMPMTH-LLVKDONJSA-N	267.325	1.990	10	20	CDCD	
CCCN(C)Cc1cc(O)n2ncc(C(=O)OCC)c2n1	69090906	JRNIGADTWXLDQI-UHFFFAOYSA-N	292.339	1.453	10	20	CDCD	
O=C1N=C(N2CCOCC2)S/C1=C/c1cncs1	129974709	OTAPEJCKENAEOB-WEVVVXLNSA-N	281.362	1.446	10	20	CDCD	
CCOCCNC(=O)CN[C@@H](C)c1cc(OC)ccc1O	182414195	CSWNYLQKEGSMEU-NSHDSACASA-N	296.367	1.204	10	20	CDCD	
COCCC1(CNC(=O)c2ccc(C)c(O)c2O)CC1	182840110	CQVJVZNGUSJSBK-UHFFFAOYSA-N	279.336	1.953	10	20	CDCD	
COCCOCCNC(=O)NCc1ccc(N(C)C)cc1	47955819	WOXHIWYQPZXYBP-UHFFFAOYSA-N	295.383	1.215	10	20	CDCD	
CN1CCN(Cc2ccc(N(C)C)c(F)c2)C(C)(C)C1=O	130579929	WOILEGKYWXCXRM-UHFFFAOYSA-N	293.386	1.944	10	20	CDCD	
CNC(=O)c1cccc(CNC(=O)Cc2ccc(N)cc2)c1	237202833	CXKCNIRQAKYTDJ-UHFFFAOYSA-N	297.358	1.487	10	20	CDCD	
CCN(Cc1ccccc1O)[C@H](C)CS(C)(=O)=O	179575042	UPFCGRGSHSPFIB-LLVKDONJSA-N	271.382	1.647	10	20	CDCD	
C[C@H]1CCCN(CCNC(=O)Cc2ccc(N)cc2)C1	237498231	KQANHYSAOIAMRQ-ZDUSSCGKSA-N	275.396	1.659	10	20	CDCD	
CCOc1cccc(CN2CCC[C@@H]2CO)c1O	92470844	IPAOLGXINSQZSH-GFCCVEGCSA-N	251.326	1.748	10	20	CDCD	
C[C@H](CCO)CNC(=O)NCc1ccc(N(C)C)cc1	266559278	UTQTYKWDTTXDKQ-GFCCVEGCSA-N	279.384	1.570	10	20	CDCD	
CCn1cnnc1CN[C@H](C)c1cc([N+](=O)[O-])ccc1O	273384085	IZYNPYXFPMXOQM-SECBINFHSA-N	291.311	1.763	10	20	CDCD	
CCOC(CCNCc1cc2c(cc1O)OCO2)OCC	276264603	URHMOJDESCAYJG-UHFFFAOYSA-N	297.351	2.000	10	20	CDCD	
COC(=O)[C@H]1CC[C@H](C(=O)NCc2ccccc2O)CC1	281301354	NPKRGFUGFSWSJO-HAQNSBGRSA-N	291.347	1.988	10	20	CDCD	
CCn1ncnc1COC(=O)c1cccc(O)c1O	801311928	YENAUBZIMBUXBJ-UHFFFAOYSA-N	263.253	1.066	10	20	CDCD	
C[C@H](N[C@H]1CCCNC1)c1cc([N+](=O)[O-])ccc1O	817940105	FAVFDHZNFGVJTQ-UWVGGRQHSA-N	265.313	1.703	10	20	CDCD	
COC[C@H](C)[C@@H](C)C(=O)OCC(=O)c1ccc(O)c(O)c1	812627222	RUJSIWKLNLKSLC-VHSXEESVSA-N	296.319	1.742	10	20	CDCD	
C[C@H](NCCN)c1ccc(N2CCOCC2)cc1Cl	817934946	RERXVCVPWDCOJN-NSHDSACASA-N	283.803	1.786	10	20	CDCD	
COc1ccc(N2CCC(NC(=O)[C@H](C)CN)CC2)cc1	828352724	CSELJIQOJGHMTL-GFCCVEGCSA-N	291.395	1.375	10	20	CDCD	
COC(=O)c1ccc(CNCCc2ccc(N)cc2)[nH]1	841036514	UBSHYFFJJTUADE-UHFFFAOYSA-N	273.336	1.716	10	20	CDCD	
CN[C@@H](C)C(=O)NCc1ccc(N(C)C)c(F)c1	848412591	VWERGZYPZVIGOB-VIFPVBQESA-N	253.321	1.116	10	20	CDCD	
Nc1ccc(CC(=O)Nc2cnc3c(c2)C[C@@H](N)CC3)cc1	841849208	BPJJAXDNJLQJFO-AWEZNQCLSA-N	296.374	1.661	10	20	CDCD	
Cc1cc(O)c(CN2CCCO[C@@H](CN)C2)cc1C	841101503	WGOOJFZFFTYSSY-AWEZNQCLSA-N	264.369	1.559	10	20	CDCD	
C[C@H]1CCN[C@H](C(=O)NCCc2ccc(N)cc2)C1	841848117	VOBUHFARUVSFSV-FZMZJTMJSA-N	261.369	1.316	10	20	CDCD	
COc1cccc(O)c1CNCC1(C)CCNCC1	841056687	IKQFNHMYNVSLLZ-UHFFFAOYSA-N	264.369	1.880	10	20	CDCD	
C[C@H](NC(=O)NC(C)(C)CN)c1ccc(N(C)C)cc1	841882837	ORDTWUZAXHKGSU-NSHDSACASA-N	278.400	1.850	10	20	CDCD	
Cc1cc(O)c(CN[C@H](CO)[C@@H]2CCCOC2)cc1C	840962612	LPJMVFLHHLYILZ-UKRRQHHQSA-N	279.380	1.886	10	20	CDCD	
CN(C)c1ccc(CN[C@@H]2[C@@H]3C[C@H]4[C@H](CN[C@H]42)C3)cc1F	925530153	OKEVKSHHHBKYCU-AVVLXZEZSA-N	289.398	1.978	10	20	CDCD	
CCOc1ccc(CN[C@@H]2CCCS(=O)(=O)C2)c(O)c1	754887782	FNDFUKGSDIPWBF-GFCCVEGCSA-N	299.392	1.458	10	20	CDCD	
CCn1nncc1CN[C@@H](C)c1cccc(OC)c1O	858440628	ZQOXAPWJTDTSQI-JTQLQIEISA-N	276.340	1.863	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccnc(C)n1	935947301	VVZCGYUZPFMCNJ-UHFFFAOYSA-N	292.335	1.906	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)C2(O)CCSCC2)c1	862757966	KFAKIJKTWCNEPN-UHFFFAOYSA-N	281.377	1.575	10	20	CDCD	
CO[C@@H]1CN(Cc2cc(F)c(N(C)C)cc2F)C[C@H]1O	862386831	BBFDHAHVWLHNLB-ZIAGYGMSSA-N	286.322	1.222	10	20	CDCD	
Cc1ccc(CNC[C@@H](O)COCC(C)C)c(O)c1	876966577	WROUBABSTGUYNC-CQSZACIVSA-N	267.369	1.824	10	20	CDCD	
Cc1cccc(O)c1CN1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O	877467157	XARBFBWGOBECKK-ZOWXZIJZSA-N	274.364	1.786	10	20	CDCD	
C[C@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)NC1CC1	772774283	IEHZCZPFEIKRSQ-HMVTZJNGSA-N	291.303	1.321	10	20	CDCD	
OCCn1cc(NCc2cc(F)cc(F)c2O)cn1	882967213	YWYRQQJRFOLODV-UHFFFAOYSA-N	269.251	1.471	10	20	CDCD	
COc1ccc(CNC(=O)[C@@]2(OC)CCSC2)c(O)c1	897628693	IHPCXWOPORVXLQ-CQSZACIVSA-N	297.376	1.539	10	20	CDCD	
COc1ccc(O)c(CN2CCC[C@]2(C)CO)c1	789557458	ICCKMRAMMJTZRS-CQSZACIVSA-N	251.326	1.748	10	20	CDCD	
O=C(C[C@@H]1CCCOC1)NCc1ccc(O)c(O)c1	793689395	LEIXSBYRAYFUEA-NSHDSACASA-N	265.309	1.531	10	20	CDCD	
CN1CC[C@H](NCc2c(O)ccc(Cl)c2F)C1	790960558	VUHTXIPDLKVHKC-QMMMGPOBSA-N	258.724	1.978	10	20	CDCD	
O=C(O)C[C@@H](CNC(=O)c1cccc(O)c1O)C1CC1	690508984	ARQYWHGNAGZZDP-VIFPVBQESA-N	279.292	1.329	10	20	CDCD	
C[C@@H](O)CCCOC(=O)/C=C/c1ccc(O)c(O)c1	795562320	SLFRHJJTHBZWJO-BREXMAIKSA-N	266.293	1.815	10	20	CDCD	
CC(=O)NCCC1=CCN(c2cc(Cl)c(O)nn2)CC1	1089802562	RQPDHCOEGMUJOQ-UHFFFAOYSA-N	296.758	1.498	10	20	CDCD	
C[C@H](O)[C@@H](NCc1c(O)ccc(Cl)c1F)C(=O)O	1334091211	XWFDRJCTAFMLAJ-XUOSJQGZSA-N	277.679	1.108	10	20	CDCD	
CC(C)OC(=O)CCNC(=O)NCc1ccc(N)cc1	1335334648	TVMWPOCIVWRAQT-UHFFFAOYSA-N	279.340	1.410	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CCSCCCN)cc1	1340152105	RKGBQVOJCQLTPB-UHFFFAOYSA-N	295.452	1.841	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)c1cnoc1C1CC1	1341476598	WQQYDGPXMCFVOQ-UHFFFAOYSA-N	288.303	1.936	10	20	CDCD	
CCCn1ncc(C(=O)NCc2ccc(O)cc2O)c1C	1347141653	CPKSDHCLBXUJTP-UHFFFAOYSA-N	289.335	1.943	10	20	CDCD	
Nc1ccc(CNC(=O)NCCC2CCOCC2)cc1	1353337737	BUHJRMUBTSDPDB-UHFFFAOYSA-N	277.368	1.885	10	20	CDCD	
Cn1c(-c2sccc2O)nnc1N1CC[C@@H](C(=O)O)C1	1600893623	NQIYKEZKJVXVLX-SSDOTTSWSA-N	294.336	1.160	10	20	CDCD	
O=C(CNC(=O)C1CCCC1)NCc1cccc(O)c1O	1548790908	WMWCATOWKKHFDJ-UHFFFAOYSA-N	292.335	1.020	10	20	CDCD	
O=C(NCc1cccc(O)c1O)c1ccc(N2CCC2)nc1	1548791536	MGOCTXSWSBNIJT-UHFFFAOYSA-N	299.330	1.633	10	20	CDCD	
Nc1ccc(CC(=O)N2CC[C@@H](c3ncccn3)C2)cc1	1580443154	TVVQIJNQIUCFIM-CYBMUJFWSA-N	282.347	1.617	10	20	CDCD	
Oc1c(CN2CC[C@H]3CC[C@@H](C2)N3)ccc(F)c1F	1580885787	MXAJPUWJAOCAHD-MNOVXSKESA-N	268.307	1.997	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCO[C@@H]2CCC[C@H]21	126349227	MJTRGACPORYLIW-ZYHUDNBSSA-N	263.293	1.491	10	20	CDCD	
COc1cccc(O)c1CN1CCC[C@H]([C@@H](C)N)C1	843052775	WEAVCUZHBYPHHW-NEPJUHHUSA-N	264.369	1.960	10	20	CDCD	
CCNC(=O)NC(=O)[C@@H](C)N(C)c1ccc(OC)cc1	844353052	DZMJULIZQISBSX-SNVBAGLBSA-N	279.340	1.366	10	20	CDCD	
COC1(CNCc2cc(F)cc(F)c2O)CCOCC1	883073534	SRNBLPOANDMLHN-UHFFFAOYSA-N	287.306	1.956	10	20	CDCD	
CCNC(=O)C(C)(C)NCc1cccc(C)c1O	312826262	SAJGPSBQVAQNEE-UHFFFAOYSA-N	250.342	1.705	10	20	CDCD	
CO[C@H]1CCN(C(=O)c2cccc(O)c2O)[C@H](C)C1	388217377	FWYPQUGIWDPGBW-ZJUUUORDSA-N	265.309	1.737	10	20	CDCD	
C[C@H]1CSC[C@@H]1NC(=O)c1cccc(O)c1O	397945001	SHAWOOHVMQAYJQ-CBAPKCEASA-N	253.323	1.579	10	20	CDCD	
Cc1cccc(CN[C@H](CO)C[C@@H]2CCCO2)c1O	895749284	QHRUAYUPEFYTPA-KBPBESRZSA-N	265.353	1.720	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@@H](C)S(C)(=O)=O	115280991	SNXRUFQMBCMXRM-LLVKDONJSA-N	298.408	1.110	10	20	CDCD	
CNC(=O)CCNC(=O)c1cc(C)n(-c2ccccc2)c1C	58976739	KJQPUWYFQCDXCT-UHFFFAOYSA-N	299.374	1.960	10	20	CDCD	
CNC(=O)CCN(C)C(=O)NCc1ccc(N(C)C)cc1	171644743	MGZLMZIIXMUGHF-UHFFFAOYSA-N	292.383	1.030	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)NCC1(CO)CC1	304602505	HYBOBCOPCVVPNW-UHFFFAOYSA-N	291.395	1.633	10	20	CDCD	
C[C@H]1CO[C@@H](CO)CN1Cc1cccc(Cl)c1O	305758317	BCERCWCVIICRRN-GXSJLCMTSA-N	271.744	1.627	10	20	CDCD	
COc1ccc(O)c(CN2CCC[C@H]2C(=O)NC2CC2)c1	179726517	ISOUYGZSJBXGRI-AWEZNQCLSA-N	290.363	1.644	10	20	CDCD	
COc1ccc(O)c(CNC(=O)NCc2cc(C)no2)c1	172073162	IKAWRMHGMSRRAZ-UHFFFAOYSA-N	291.307	1.697	10	20	CDCD	
Cc1ccc(C(=O)NCCNC(=O)C(C)(C)C)c(O)c1O	182276815	SNOLSNUJVDQLFQ-UHFFFAOYSA-N	294.351	1.298	10	20	CDCD	
CCN(CC(N)=O)Cc1ccc(N(CC)CC)cc1	188069852	NDLMQJZEZKVBEA-UHFFFAOYSA-N	263.385	1.840	10	20	CDCD	
Nc1ccc(CC(=O)N2CCC[C@H]2C(=O)NC2CC2)cc1	37806245	QYYTWVXAAYNOIZ-AWEZNQCLSA-N	287.363	1.081	10	20	CDCD	
COc1cccc(CNC(=O)c2cc(C)on2)c1O	129348044	FVDJMMOVPPYURL-UHFFFAOYSA-N	262.265	1.627	10	20	CDCD	
CCOc1cccc(CN2CCC[C@@H](N)C2)c1O	41027804	QVBDFTZBRUMVHH-GFCCVEGCSA-N	250.342	1.714	10	20	CDCD	
COC(=O)N(C)CC(=O)NCc1ccc(N(C)C)cc1	47770239	ZVQSNMKUYZKZPC-UHFFFAOYSA-N	279.340	1.067	10	20	CDCD	
OCC1(NCc2cc(Cl)ccc2O)CCOCC1	227214279	COZPKZZREIQBEX-UHFFFAOYSA-N	271.744	1.677	10	20	CDCD	
CCN(CCn1cncn1)c1ccc(OC)c(OC)c1	264113287	QPWUIDASJYDCRM-UHFFFAOYSA-N	276.340	1.822	10	20	CDCD	
COC[C@H](C)N(C)Cc1ccc([N+](=O)[O-])c(OC)c1O	278270168	ROPIDIPYZRSYPE-VIFPVBQESA-N	284.312	1.776	10	20	CDCD	
Cc1ccc(C(=O)N2CC[C@@H](n3cncn3)C2)c(O)c1O	364478171	TVWQFRGVSFHGLZ-SNVBAGLBSA-N	288.307	1.085	10	20	CDCD	
Cc1cc(CC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)no1	274891841	CYMPFSGBIOKMJQ-VIFPVBQESA-N	290.319	1.684	10	20	CDCD	
CC[C@@H](C)N(CC(=O)OC)Cc1cc2c(cc1O)OCO2	281220987	KJGBKHXUUMYVGX-SNVBAGLBSA-N	295.335	1.894	10	20	CDCD	
C[C@@H](NCc1ccc2c(c1)CCO2)C(=O)NCCF	282687444	NWBZDNNEQFHLKP-SNVBAGLBSA-N	266.316	1.185	10	20	CDCD	
CO[C@@H]1[C@@H]2C[C@@H]3[C@@H]1N(C(=O)c1cccc(O)c1O)C[C@@H]3C2	376155852	GBWQUELAQCMSQE-CSCFQEHMSA-N	289.331	1.593	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NCCC1(O)CCC1	285727529	VHORANJIMHTGJX-HWKANZROSA-N	277.320	1.532	10	20	CDCD	
O=C(NCCCCCO)c1c(F)ccc(O)c1O	296330164	PHPYTZWPYYGEEM-UHFFFAOYSA-N	257.261	1.129	10	20	CDCD	
CC(C)(CCN)NC(=O)NCCc1ccc(N)cc1	817877897	GVEFLBKYOGQRTJ-UHFFFAOYSA-N	264.373	1.238	10	20	CDCD	
C[C@@H]1C[C@H](NCCN2CCNCC2)c2c(O)ccc(F)c21	817945084	TYYSZWRSRRPHBU-YPMHNXCESA-N	293.386	1.574	10	20	CDCD	
C[C@H](N)C[C@@H](C)NC[C@H](N)c1ccc(N(C)C)cc1	817940299	FVLKVLKKTMUXPJ-ZOWXZIJZSA-N	264.417	1.468	10	20	CDCD	
Cc1cc(CN2C[C@@H]3C[C@]3(CO)C2)ccc1N(C)C	815099843	MXQZRXVEOYCWML-GOEBONIOSA-N	260.381	1.875	10	20	CDCD	
CCCCNC(=O)[C@H](C)OC(=O)c1ccc(C)c(O)c1O	727005683	VCYJFIXESDUHSU-JTQLQIEISA-N	295.335	1.868	10	20	CDCD	
COC(=O)c1cnc(SC[C@@H]2CCN(C)C2)s1	829677713	JCNJBZJLFSUXIY-MRVPVSSYSA-N	272.395	1.974	10	20	CDCD	
COCCNC(=S)N[C@@H](C)c1cc(OC)ccc1O	728792297	JFXJSIYLKGBCCO-VIFPVBQESA-N	284.381	1.572	10	20	CDCD	
Cc1cccc(-n2c(C)cc(CNC(=O)C(N)=O)c2C)c1	825009271	JYPUXFJQTCCCFU-UHFFFAOYSA-N	285.347	1.504	10	20	CDCD	
CO[C@H]1COCC[C@@H]1CNCc1ccccc1O	824709324	PADLGEAHQPRRQI-OCCSQVGLSA-N	251.326	1.533	10	20	CDCD	
O=C1CC[C@H]2CN(Cc3cc(F)ccc3O)CC[C@H]2N1	827132758	OFIFAWZOQHSRKG-GXFFZTMASA-N	278.327	1.632	10	20	CDCD	
CC[C@](C)(O)C(=O)NCc1cc(Cl)ccc1O	823986760	NVHGMDHOCDGVRQ-LBPRGKRZSA-N	257.717	1.823	10	20	CDCD	
CN1CCC(CNC(=O)/C=C\c2ccc(O)c(O)c2)CC1	588406252	UDMZKQRSHZQXMI-HYXAFXHYSA-N	290.363	1.569	10	20	CDCD	
O=C(/C=C\c1cncc(F)c1)N1CCCc2n[nH]cc21	493614360	QCTDMSBEBDZQFC-ARJAWSKDSA-N	272.283	1.936	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)CN1C[C@@H]2C[C@@H]2C1=O	902038158	MJNNLFFYNVRFLA-ZFWWWQNUSA-N	273.380	1.620	10	20	CDCD	
O=C(O)C(F)(F)CNCc1ccc2c(c1)CCO2	1332475924	HIXFSLLMDFNBNZ-UHFFFAOYSA-N	257.236	1.431	10	20	CDCD	
CCn1nc(C)c(CNC(=O)Cc2ccc(N)cc2)n1	831753355	MUPKZOVJNAUGHD-UHFFFAOYSA-N	273.340	1.048	10	20	CDCD	
Cn1cc(/C=C\C(=O)N2CCOc3cc(F)ccc32)cn1	735641237	HAAGUKFCXPUERC-DJWKRKHSSA-N	287.294	1.998	10	20	CDCD	
CCO[C@@H]1COC[C@H]1N[C@H]1CCc2cccc(O)c21	834903913	LJBSXDOYOOYIIW-OUCADQQQSA-N	263.337	1.773	10	20	CDCD	
Cc1ccc(C(=O)NC2CN(C(C)C)C2)c(O)c1O	837544502	KYNLSEZYLLKQGP-UHFFFAOYSA-N	264.325	1.229	10	20	CDCD	
CC(C)[C@@H](C(=O)NCc1ccc(O)cc1O)N(C)C	910950147	DCYQIMRNWRSDRX-ZDUSSCGKSA-N	266.341	1.300	10	20	CDCD	
C[C@@H]1CCCCN1NC(=O)c1cccc(O)c1O	912146840	ZZBTVHVLPRZPSQ-SECBINFHSA-N	250.298	1.617	10	20	CDCD	
CCC[C@@](C)(O)C(=O)NCc1ccc(O)cc1O	910949119	FNULPSVMZAFFKC-CYBMUJFWSA-N	253.298	1.265	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CC[C@@H]1C(N)=O	847500310	ICSGKOMFUPZHDA-KBPBESRZSA-N	289.379	1.189	10	20	CDCD	
C[C@@H](N)[C@@H]1CCN(C(=O)NCc2ccc(N(C)C)cc2)C1	841653875	KJUHMQBVJOXHLI-TZMCWYRMSA-N	290.411	1.631	10	20	CDCD	
CCc1nncn1CCN[C@@H](C)c1cccc(OC)c1O	846148591	REXUSQNRVSPFLU-NSHDSACASA-N	290.367	1.906	10	20	CDCD	
C[C@@H]1C[C@@H](NCCS(C)(=O)=O)c2c(O)ccc(F)c21	756505664	VDKZSKKQMFTGRT-PSASIEDQSA-N	287.356	1.714	10	20	CDCD	
CCN(Cc1ccc(N2CCOCC2)cc1)[C@@H](C)C(=O)O	923253255	HQESTMLSCLRVQZ-ZDUSSCGKSA-N	292.379	1.818	10	20	CDCD	
CC(=O)c1cc(F)cc(CN(CCO)C(C)C)c1O	50158090	PPZUCAOXOQYITK-UHFFFAOYSA-N	269.316	1.937	10	20	CDCD	
CC[C@H](CO)N[C@H](C)c1cc(C(=O)OC)ccc1O	756342862	MJCYTCGXFHCQQG-MWLCHTKSSA-N	267.325	1.600	10	20	CDCD	
C[C@H]1CN(CCNC(=O)Cc2ccc(N)cc2)[C@H](C)CO1	852847905	YPVJVJMPDKDTOK-OLZOCXBDSA-N	291.395	1.037	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)COC[C@@H]2CCCO2)c1	862760493	SDYBIQHDHCJEMA-ZDUSSCGKSA-N	279.336	1.512	10	20	CDCD	
CN(C(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1)c1ccc(N)cc1	877078019	ZIIBJMYPWOGNIM-JTQLQIEISA-N	299.334	1.008	10	20	CDCD	
Cc1ccc(CNCCN2CCOC[C@H]2C)c(O)c1	877150242	MVBVGBPWWLZQQH-CYBMUJFWSA-N	264.369	1.511	10	20	CDCD	
CCOc1cnc(C(=O)NCc2ccccc2O)cn1	779001022	PMIFXXYEWKOTOH-UHFFFAOYSA-N	273.292	1.511	10	20	CDCD	
C[C@H](NC[C@H](O)CN1CCCC1)c1ccccc1O	775131789	VXPYAWJOHRIJGO-STQMWFEESA-N	264.369	1.500	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@@](C)(O)C(C)C)c1	771417179	LXIKEWXFNSEADV-BMIGLBTASA-N	281.352	1.985	10	20	CDCD	
O=C1[C@H](NCc2cc(F)cc(F)c2O)C[C@@H]2CCCCN12	883140066	IGVCBURYFLIZLV-WCQYABFASA-N	296.317	1.913	10	20	CDCD	
Nc1ccc(CNC(=O)NCCC[C@@H]2CCOC2)cc1	1120623451	IRVVUAHYHRJQRY-CYBMUJFWSA-N	277.368	1.885	10	20	CDCD	
CCN(C)C(=O)CNCc1cc(C)cc(OC)c1O	894491183	KRDQUKJJNRIZQU-UHFFFAOYSA-N	266.341	1.277	10	20	CDCD	
CCOC(=O)[C@@H]1CCN(Cc2cc(OC)ccc2O)C1	896960117	IFRXHDPEMZUGHT-LLVKDONJSA-N	279.336	1.786	10	20	CDCD	
COc1cccc(CN2CCS(=O)(=O)[C@H](C)[C@@H]2C)c1O	93560151	USUCHGCACZTXBD-WDEREUQCSA-N	299.392	1.408	10	20	CDCD	
C[C@@H]1C(=O)N(C)CCN1Cc1cc(F)cc(F)c1O	894495411	CCSJVDPRWMCIQJ-MRVPVSSYSA-N	270.279	1.333	10	20	CDCD	
O=C(NC1CCN(C2CC2)CC1)c1cccc(O)c1O	186838933	RNBSSFYPJAKFRK-UHFFFAOYSA-N	276.336	1.454	10	20	CDCD	
CNC[C@@H](C)CNC(=O)NCc1cccc(OC)c1O	1326131754	CMHSCAAMYXIKDI-SNVBAGLBSA-N	281.356	1.056	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)NCCCCN)c1	1325681736	NYVOWEIJGYLFCP-SNVBAGLBSA-N	281.356	1.500	10	20	CDCD	
CC(C)(C)N1CC[C@@H](NC(=O)NCc2ccc(N)cc2)C1	1337019321	SHTDUHFSKAOOPL-CQSZACIVSA-N	290.411	1.941	10	20	CDCD	
C[C@@H](NCCN1CCC(CO)CC1)c1c(O)cccc1F	1337585968	OINWSSMYUXFJRM-GFCCVEGCSA-N	296.386	1.886	10	20	CDCD	
CSC1(C(=O)NCc2cccc(O)c2O)CCC1	1348049166	ZJKUXMYVKFEVQJ-UHFFFAOYSA-N	267.350	2.000	10	20	CDCD	
C[C@H](c1nncn1C)n1cc(COc2ccc(N)cc2)nn1	1262027001	NIIBMLOZNFRNNS-SNVBAGLBSA-N	299.338	1.177	10	20	CDCD	
COCC1(C(=O)NCc2cccc(O)c2O)CCOCC1	1349079512	NHCXMGMYGZFTMS-UHFFFAOYSA-N	295.335	1.157	10	20	CDCD	
Nc1ccc(CCNC(=O)CC2CCOCC2)cc1	238120761	NCLUSKSEZBMFHC-UHFFFAOYSA-N	262.353	1.744	10	20	CDCD	
Cc1cc(=O)c(C(=O)N(C)Cc2ccccc2O)c[nH]1	223865533	DLVUVMKUUPEWPL-UHFFFAOYSA-N	272.304	1.661	10	20	CDCD	
CC(C)(C)[C@@H](N)CC(=O)NCc1c(O)cccc1F	1522792570	YLDHQNGEEDHXRB-LBPRGKRZSA-N	268.332	1.911	10	20	CDCD	
CC1=CC(C)=S=C1C(=O)Nc1nc(-c2ccncc2)n[nH]1	1603073262	UWKSRDUQAQZDDX-UHFFFAOYSA-N	299.359	1.863	10	20	CDCD	
COc1ccc(CN[C@@H]2C[C@@H]3C[C@@H](C(=O)O)C[C@@H]32)c(O)c1	1607260016	LXLNXFPPXSCFAD-UZGDPCLZSA-N	291.347	1.990	10	20	CDCD	
Cc1nnc([C@@H](C)NC(=O)Nc2ccc(N)cc2)o1	1579897174	MQXWVEAFQJUKNM-SSDOTTSWSA-N	261.285	1.843	10	20	CDCD	
O=C(O)[C@H](Cc1ccncc1)NCc1ccccc1O	1594840608	CUGANIBMKAPZCN-ZDUSSCGKSA-N	272.304	1.573	10	20	CDCD	
C[C@@H](N[C@H]1C[C@H](O)C1)c1cc(C(=O)O)ccc1O	1593360528	SURDIQCBWLYLGC-SZEHBUNVSA-N	251.282	1.264	10	20	CDCD	
O=C(NCc1cc(O)ccc1O)c1ccc(C(=O)O)nc1	1594767746	ITHUKULNBBHYEA-UHFFFAOYSA-N	288.259	1.121	10	20	CDCD	
C[C@H](OC[C@@H]1CCCO1)C(=O)Nc1ccc(N)cc1	19278124	OQWSANZPYKPZGK-GWCFXTLKSA-N	264.325	1.791	10	20	CDCD	
CC(C)OC[C@H](NCc1cc([N+](=O)[O-])ccc1O)C(=O)O	1776352400	KLXORLPDTIVKRA-NSHDSACASA-N	298.295	1.268	10	20	CDCD	
CN(C)c1ccc(CN[C@@H](Cn2cccn2)C(=O)O)cc1	1777039748	HJGDBYPJGVGYFS-AWEZNQCLSA-N	288.351	1.192	10	20	CDCD	
CN1CCCC[C@@H]1CNC(=O)c1cccc(O)c1O	126353031	KQDOPNIGLFAFCX-SNVBAGLBSA-N	264.325	1.312	10	20	CDCD	
C[C@@H](CN)NCc1cc(Br)ccc1O	841062779	FMYCKDJBKNPXRL-ZETCQYMHSA-N	259.147	1.592	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@H]1C[C@]12CCCNC2	848398749	WKZPDFPHFAVMLO-CJNGLKHVSA-N	274.364	1.740	10	20	CDCD	
COc1cccc(O)c1CN[C@@H](CO)CC(F)F	883104096	OZMNZHQOPLIMLI-MRVPVSSYSA-N	261.268	1.507	10	20	CDCD	
COc1ccc(CN[C@H]2CCCCNC2=O)cc1C	37282813	WTGWLBOGOSCAEG-ZDUSSCGKSA-N	262.353	1.762	10	20	CDCD	
CC(C)(CNCc1ccc2c(c1)CCO2)OCCO	288375423	FKYNAMLUBDBZCN-UHFFFAOYSA-N	265.353	1.499	10	20	CDCD	
CN1CC[C@@H](N(C)Cc2cc(Cl)ccc2O)C1=O	690258128	IZJAFWPIFBJEDA-LLVKDONJSA-N	268.744	1.708	10	20	CDCD	
CC(C)(C)[C@@H](CO)NC(=O)Cc1ccc(N)cc1	393980155	RBTWDAMFHZJVGX-GFCCVEGCSA-N	250.342	1.335	10	20	CDCD	
CCc1cccc(CN2CCn3cnnc3C2)c1O	821984748	ZIIFOYCHHBPVSO-UHFFFAOYSA-N	258.325	1.562	10	20	CDCD	
COC(=O)C[C@H]1CN(Cc2ccccc2O)CCO1	179576341	WVQWXDLSQYHHCW-LBPRGKRZSA-N	265.309	1.156	10	20	CDCD	
COc1ccc(O)c([C@@H](C)N[C@H]2CCN(C)C2)c1	42544479	XWLLTLJUKSCESQ-MNOVXSKESA-N	250.342	1.756	10	20	CDCD	
CN(CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1O	174854126	QVLDOMCUFPJCHD-UHFFFAOYSA-N	276.296	1.629	10	20	CDCD	
COCCN(C)CCNCc1cc(C)ccc1O	71409291	XRUXFRGJJOYTMD-UHFFFAOYSA-N	252.358	1.368	10	20	CDCD	
CC[C@@H](C)OCC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	185389853	VWYDIXFGJFOGAK-WDEREUQCSA-N	281.352	1.960	10	20	CDCD	
O=C(Nc1nnc2n1CCCC2)c1cccc(O)c1O	193157423	HVDMEFKMBNMCHI-UHFFFAOYSA-N	274.280	1.278	10	20	CDCD	
CCN(C)S(=O)(=O)N(CC)Cc1ccc(N(C)C)cc1	81182650	LVJAXORLIJNQBP-UHFFFAOYSA-N	299.440	1.771	10	20	CDCD	
O=C(NCCNCc1c(O)cccc1Cl)C1CC1	134604552	QCEDDPIGFMHSIR-UHFFFAOYSA-N	268.744	1.661	10	20	CDCD	
CCCOc1ccc([C@@H]2NC(=O)[C@H]3COCCN32)c(O)c1	93884778	RLGNEYMROWSZJY-TZMCWYRMSA-N	292.335	1.010	10	20	CDCD	
CN(C)c1noc(CCC(=O)NCc2ccccc2O)n1	275563956	HTOVJSQDLMNOJK-UHFFFAOYSA-N	290.323	1.090	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)NCCCNC(C)=O)c1	273430260	VJDCPTRCASZMCL-SNVBAGLBSA-N	294.351	1.356	10	20	CDCD	
CN(C)c1ccc(CNC[C@@]2(O)CCOC2)cc1F	270034770	YYDKOWNZGLJTFQ-AWEZNQCLSA-N	268.332	1.133	10	20	CDCD	
COC(=O)C[C@H](C)NC(=O)c1ccc(C)c(O)c1O	271314007	WCIMLTIDFGVUPE-QMMMGPOBSA-N	267.281	1.088	10	20	CDCD	
CCN(CC)c1ccc(CN[C@@H]2COC[C@H]2O)cc1F	295774268	YRMQEPLKHOCYLB-UKRRQHHQSA-N	282.359	1.521	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@@]2(C)CCOC2=O)c1O	290789127	DKVZWAALMQDJPR-ZDUSSCGKSA-N	296.279	1.104	10	20	CDCD	
CCOc1ccc(O)c(CN(C)[C@H](C)C(=O)O)c1	820387388	NVABKTIPWXLQAA-SECBINFHSA-N	253.298	1.696	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@H](N)C(C)C)c1	828667790	UUTLMYGSVJPIDT-NOZJJQNGSA-N	266.341	1.561	10	20	CDCD	
CCOc1ccc(CN2CCC[C@@H]2C(=O)O)c(O)c1	820387441	QKGIAKWLDAFOHH-GFCCVEGCSA-N	265.309	1.840	10	20	CDCD	
C[C@@H](NC(=O)c1cc(O)cs1)[C@@H](C)N1CCOCC1	732288367	QYVOEBKCQHQGBE-NXEZZACHSA-N	284.381	1.293	10	20	CDCD	
COC(=O)[C@@H]1CC[C@H](NC(=O)c2c(F)ccc(O)c2O)C1	900051798	JHRLQEFXVLQWIP-SFYZADRCSA-N	297.282	1.308	10	20	CDCD	
Cc1cn(C)nc1CN(C)c1ccc(OCC(=O)O)cc1	903905004	SSIQEFLUHBKDDQ-UHFFFAOYSA-N	289.335	1.828	10	20	CDCD	
CN(Cc1nc(O)c2cnn(C)c2n1)Cc1ccccc1O	732203273	UMTISQMNILPTBD-UHFFFAOYSA-N	299.334	1.407	10	20	CDCD	
COc1ccc(N(C)C[C@@H](O)COC[C@H]2CCCO2)cc1	844353610	RTKIYMLCIBMSSP-GDBMZVCRSA-N	295.379	1.688	10	20	CDCD	
CN(C)c1ccc([C@H](N)CNC2CCC(CN)CC2)cc1	841040891	BPYIQMRAYIYBBO-PUJMQQBBSA-N	290.455	1.860	10	20	CDCD	
C[C@@H](CCN)NCc1cc(Cl)cc([N+](=O)[O-])c1O	841052483	YUHHHAJLZBVXKZ-ZETCQYMHSA-N	273.720	1.781	10	20	CDCD	
c1cc(N2CCCCC2)ccc1CNC[C@@H]1CNCCO1	841099275	ODUWSGWPXDGWDX-KRWDZBQOSA-N	289.423	1.755	10	20	CDCD	
CCNCC(=O)NCc1c(O)ccc2c1CCCC2	843489989	PRYVEINHVZTKEW-UHFFFAOYSA-N	262.353	1.497	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@H]2CCN[C@@H](C)C2)c1O	841062299	IUCMPKHLNYWOGL-ONGXEEELSA-N	295.339	1.539	10	20	CDCD	
NC[C@@H](NC(=O)NCCc1ccc(N)cc1)C1CCCC1	841956079	UMDBRJSBCDPECQ-OAHLLOKOSA-N	290.411	1.628	10	20	CDCD	
CCOc1ccc(CN[C@@H](CO)CCF)c(O)c1	846097246	OILIPPUDNGBCIC-LLVKDONJSA-N	257.305	1.601	10	20	CDCD	
CSC[C@H](C)NC(=O)NCCc1ccc(N)cc1	841830208	VTNDOTITAHHCJL-JTQLQIEISA-N	267.398	1.862	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CC1CCOCC1	753645581	WEMSVHWCEJFXEG-LLVKDONJSA-N	293.363	1.962	10	20	CDCD	
CON(C)C(=O)[C@@H](C)N[C@@H](C)c1cc(C)ccc1O	858586275	BWNDYASCQSHKSA-WDEREUQCSA-N	266.341	1.760	10	20	CDCD	
CON(C)C(=O)[C@H](C)NCc1ccc2c(c1)CCCO2	922298884	YBPIMPSRQULIDK-NSHDSACASA-N	278.352	1.510	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N2CC(F)C2)cc1F	753148407	IOEHWNFOZMZLCR-UHFFFAOYSA-N	269.295	1.755	10	20	CDCD	
CC(C)(C)CCNC(=O)COC(=O)c1cccc(O)c1O	758559417	IPXNGXLCLNEAOR-UHFFFAOYSA-N	295.335	1.807	10	20	CDCD	
Cc1cnc2c(c1)N(C(=O)/C=C\c1cnn(C)c1)CC2	857879905	VODHKJFUJROXOZ-ARJAWSKDSA-N	268.320	1.726	10	20	CDCD	
CC[C@]1(O)CCCN(Cc2cc3c(cc2O)OCO3)C1	877692772	SODCGKAJRXDYBN-HNNXBMFYSA-N	279.336	1.858	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)Nc1c[nH]ccc1=O	779515000	RMYBFJLALNGUDX-RQOWECAXSA-N	272.260	1.438	10	20	CDCD	
Cc1conc1NC(=O)C(=O)N(C)Cc1ccccc1O	772469804	GSWQIDJWLSFCPO-UHFFFAOYSA-N	289.291	1.286	10	20	CDCD	
C[C@H](NC(=O)[C@@H]1CCC(=O)NC1)c1ccc(N(C)C)cc1	773009736	MOMFOHOSGCAVTJ-WCQYABFASA-N	289.379	1.456	10	20	CDCD	
C[C@@H](OC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)NC1CC1	772774330	IEHZCZPFEIKRSQ-SEYNBYMXSA-N	291.303	1.321	10	20	CDCD	
CCCOc1ccc(CNCCN2CCNC2=O)cc1C	886323140	JJIFGKZNEODTJK-UHFFFAOYSA-N	291.395	1.899	10	20	CDCD	
O=C(Nc1nnc2ccccn12)c1cccc(O)c1O	776330645	NGPOGJINPOPCAB-UHFFFAOYSA-N	270.248	1.393	10	20	CDCD	
C[C@H](O)[C@H]1CCN(C(=O)NCc2ccc(N)cc2)C1	1120591949	NMAKKOMESCKDOT-JQWIXIFHSA-N	263.341	1.181	10	20	CDCD	
O=C(COC(=O)[C@H]1C[C@@H]1C1CC1)c1ccc(O)c(O)c1	784056583	UWJXPGUMNOKMPF-MNOVXSKESA-N	276.288	1.870	10	20	CDCD	
Cc1ccc(C(=O)NCc2ncoc2C)c(O)c1O	780996447	FFBUGHFWWJZVDC-UHFFFAOYSA-N	262.265	1.633	10	20	CDCD	
CC(C)NC(=O)CN[C@H](C)c1c(O)cccc1F	886493552	QBMNPEWCHOPKBZ-SECBINFHSA-N	254.305	1.707	10	20	CDCD	
C[C@@H]1CN(Cc2c(O)cccc2Cl)C[C@@H](CO)O1	787418492	WQRMNMXXDLRWFN-ZJUUUORDSA-N	271.744	1.627	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)c1ccc(O)cc1O	780984020	IRPZRMWXPMXYOF-UHFFFAOYSA-N	289.287	1.482	10	20	CDCD	
C[C@@H]1CN(Cc2cc(F)cc(F)c2O)C[C@@H](CO)O1	894539101	XMFDOEJEKFWNKK-KCJUWKMLSA-N	273.279	1.252	10	20	CDCD	
CCOCCOC[C@@H](O)CN[C@@H](C)c1ccc(C)cc1O	790756946	INYDWZUJQWCZLC-KBPBESRZSA-N	297.395	1.765	10	20	CDCD	
COc1ccc(CNC(=O)C(=O)c2ccccc2)c(O)c1	794388947	COTANLBTOOAGIQ-UHFFFAOYSA-N	285.299	1.900	10	20	CDCD	
Cc1ccoc1C(=O)NCCc1ccc(O)c(O)c1	768900342	GAVDJLHEJWJJME-UHFFFAOYSA-N	261.277	1.972	10	20	CDCD	
CCOc1cccc(CN[C@H]2COC[C@@H]2C)c1O	699842005	XLDVHUQBNZLYCR-JQWIXIFHSA-N	251.326	1.915	10	20	CDCD	
C[C@@H](c1ccc(N(C)C)cc1)N1C(=O)NC2(CC2)C1=O	1343706170	OZRLBNRGKFKICO-JTQLQIEISA-N	273.336	1.898	10	20	CDCD	
Nc1ccc(CNC(=O)CC[C@@H]2CCCNC2)cc1	1524009741	VDKJHPHHYVKARK-LBPRGKRZSA-N	261.369	1.665	10	20	CDCD	
C[C@H](NCCC(=O)NCCC(=O)O)c1cc(F)ccc1O	1604337094	CTBLOUMBVPATOO-VIFPVBQESA-N	298.314	1.163	10	20	CDCD	
Cc1ccc(O)c(CN2C[C@@H]3C[C@@H](N)C[C@]3(C(=O)O)C2)c1	1607811429	UNDZTIRRVNOKAB-ZENOOKHLSA-N	290.363	1.325	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@H]2CC[C@H]2C(=O)O)c1	1594373406	YLEONORLWNZUCX-WDEREUQCSA-N	263.293	1.428	10	20	CDCD	
Cc1nc(-c2nn[nH]n2)cc(N(C)Cc2ccccc2O)n1	1592338616	KBABDEYNFRMGIL-UHFFFAOYSA-N	297.322	1.307	10	20	CDCD	
C[C@H](CN1CCOCC1)NCc1cccc(Cl)c1O	124708267	QATQUFUVBKCBFP-LLVKDONJSA-N	284.787	1.856	10	20	CDCD	
CCCCN(CCO)Cc1cc2c(cc1O)OCO2	159104944	BGDOSMWYGBRWKX-UHFFFAOYSA-N	267.325	1.715	10	20	CDCD	
CS[C@H](CO)[C@H](C)NC(=O)Nc1ccc(N)cc1	841299685	HWOJWYLUROHMFR-GZMMTYOYSA-N	269.370	1.503	10	20	CDCD	
CC(C)[C@H](CCO)NC(=O)Nc1ccc(N)cc1	841300964	XXUGTKNVRRBEET-LBPRGKRZSA-N	251.330	1.797	10	20	CDCD	
C[C@@H]1NC[C@H](C)N(C(=O)Cc2ccc(N)cc2)[C@H]1C	1122264621	TWLHJYZSFZWDSX-SRVKXCTJSA-N	261.369	1.409	10	20	CDCD	
CS[C@@H](CO)[C@@H](C)NCc1ccc(C)cc1O	877048649	NRAZQAPSEHQUMZ-MFKMUULPSA-N	255.383	1.903	10	20	CDCD	
COCCOCCN[C@@H](C)c1cc(OC)ccc1O	44693650	MBVZQWQWJZGAKZ-NSHDSACASA-N	269.341	1.714	10	20	CDCD	
COC[C@H]1CN(Cc2cccc(C)c2O)CCO1	180327055	LCPOHRTUOSQOPM-CYBMUJFWSA-N	251.326	1.548	10	20	CDCD	
Cc1ccc(O)c(CNC(C)(C)CN2CCOCC2)c1	308640098	OBCPYPVVZGFFRC-UHFFFAOYSA-N	278.396	1.901	10	20	CDCD	
Cc1ccc(O)c(CN2CCN([C@H]3CCNC3)CC2)c1	312992906	SQJCNPGZYHKJNR-HNNXBMFYSA-N	275.396	1.180	10	20	CDCD	
C[C@H]1C[C@H](C(=O)O)CN(C(=O)Cc2ccc(N)cc2)C1	398710718	XAYGXYGRUFBWSE-JQWIXIFHSA-N	276.336	1.381	10	20	CDCD	
Cc1ccc(C)n1-c1ccc(C(=O)OCC(N)=O)cc1	4541565	CYLVWMYALFNIIW-UHFFFAOYSA-N	272.304	1.736	10	20	CDCD	
COc1ccc(N(C)C[C@@H](O)COC(C)C)cc1	8697946	XKBBPNGUJBRVOK-CYBMUJFWSA-N	253.342	1.917	10	20	CDCD	
O=S(=O)(Nc1ccc(O)cc1)N1CCCCC1	20256169	NNMBWZJKUDFQSO-UHFFFAOYSA-N	256.327	1.535	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)c1n[nH]c2c1CCC2	119993903	FGYMTVGSHOWVIJ-UHFFFAOYSA-N	271.320	1.876	10	20	CDCD	
Oc1cc2c(cc1CN[C@H]1CCSC1)OCO2	230704288	YYDHWNXOPXZJRX-VIFPVBQESA-N	253.323	1.716	10	20	CDCD	
C[C@H]1CN(Cc2cc(F)ccc2O)CCS(=O)(=O)C1	192065716	FKTHGMHOGJBHEZ-JTQLQIEISA-N	287.356	1.398	10	20	CDCD	
C[C@H](N)[C@H](C)C(=O)NCc1ccc(N2CCCC2)cc1	192098313	ZABZMIGZZFWCCD-STQMWFEESA-N	275.396	1.886	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)C1(N)CCCC1	237081627	RQRCLCFUMPHLCJ-UHFFFAOYSA-N	275.396	1.949	10	20	CDCD	
CC[C@H](C(=O)NCCc1ccc(O)c(O)c1)N(CC)CC	269204822	MYXQCOAWIVOHMN-CYBMUJFWSA-N	294.395	1.877	10	20	CDCD	
CCN(CCO)CCNCc1c(O)cccc1Cl	274363406	DSQLXWITPJFQLY-UHFFFAOYSA-N	272.776	1.449	10	20	CDCD	
CC[C@H](NCCOCCO)c1ccc(C)cc1O	279950000	BSIXWMYOESWFLP-ZDUSSCGKSA-N	253.342	1.750	10	20	CDCD	
CC1(CNCc2ccc3c(c2)CCCO3)OCCO1	1332314744	KOSXIYUGTCTARS-UHFFFAOYSA-N	263.337	1.864	10	20	CDCD	
CC[C@H](C)NC(=O)CSc1ncc(C(=O)OC)s1	295261981	IURRAKAUDAJRNX-ZETCQYMHSA-N	288.394	1.937	10	20	CDCD	
CN1CC(=O)N[C@H]1c1cc(Cl)cc([N+](=O)[O-])c1O	298794083	SFNJIBHKAQLWLB-SNVBAGLBSA-N	271.660	1.014	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCC(F)(F)[C@@H](CO)C1	812644538	FGGWEXUGSGXODZ-SSDOTTSWSA-N	277.292	1.543	10	20	CDCD	
Nc1cnn2c1N(C(=O)/C=C/c1cccnc1)CCC2	722393362	FZGBNUNBCXCESC-SNAWJCMRSA-N	269.308	1.310	10	20	CDCD	
CCOC(=O)NCC(=O)N[C@@H](C)c1cc(OC)ccc1O	728978100	MFMYLTYRFKIMCM-VIFPVBQESA-N	296.323	1.324	10	20	CDCD	
Cc1cc(O)c(CN[C@H](C)C(=O)N(C)C)cc1Cl	825429924	QUXHIGOHKKJLEI-SECBINFHSA-N	270.760	1.920	10	20	CDCD	
CC(C)(C)c1cc(O)c(O)c(CN2CC[C@H]2CO)c1	902631186	VCQJCPKJXSPUGT-LBPRGKRZSA-N	265.353	1.962	10	20	CDCD	
COC(=O)NC1CCN(Cc2cc(F)ccc2O)CC1	827929140	GKUVRMDCFVLDMO-UHFFFAOYSA-N	282.315	1.852	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@H](F)C1	836821244	XKMYGJAWCKELQW-YWNRKNDBSA-N	251.257	1.681	10	20	CDCD	
CN(CC1=CCCOC1)c1ccc(OCC(=O)O)cc1	902017185	SFOIKRQNYGZQKT-UHFFFAOYSA-N	277.320	1.933	10	20	CDCD	
COc1ccc(CNS(=O)(=O)C2(C)CC2)c(O)c1	831348145	UPZCHXZLCLYNHA-UHFFFAOYSA-N	271.338	1.373	10	20	CDCD	
Cc1ccc(C(=O)N[C@H](C)c2ccn(C)n2)c(O)c1O	838244196	CCCCVTXPJZSYAC-SECBINFHSA-N	275.308	1.631	10	20	CDCD	
CN(C)c1ccc([C@H](N)CNC(=O)C2CC(F)(F)C2)cc1	832265828	AAPXDQYYTKISQF-CYBMUJFWSA-N	297.349	1.914	10	20	CDCD	
CC1=C(C(=O)O)C[C@H](CN(C)Cc2ccccc2O)O1	833585792	YRXFQYQJCIYMHG-GFCCVEGCSA-N	277.320	1.972	10	20	CDCD	
CCCCN(Cc1ccccc1O)C(=O)NCCN	841919720	AHIJLEWIFLCXJO-UHFFFAOYSA-N	265.357	1.663	10	20	CDCD	
Oc1ccc(Cl)c(F)c1CNC[C@H]1CNCCO1	841100283	BAMMRHYLESBWPT-MRVPVSSYSA-N	274.723	1.263	10	20	CDCD	
CC[C@H](N[C@@H]1COC[C@@H]1OC)c1ccc(F)cc1O	840826585	OSSCASZWZHJRFG-SCRDCRAPSA-N	269.316	1.986	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2CC[C@H]([C@@H](C)N)C2)c1O	843057112	BEYFKKPAIHRKSQ-ZJUUUORDSA-N	295.339	1.478	10	20	CDCD	
COCC[C@H](C)CNC(=O)NCc1cccc(OC)c1O	840399829	SCTDJUPKQVLDPL-NSHDSACASA-N	296.367	1.873	10	20	CDCD	
CCC[C@@H]1C(=O)NCCN1C(=O)Nc1ccc(N)cc1	841297482	FKRKFDPKTXSLIC-GFCCVEGCSA-N	276.340	1.401	10	20	CDCD	
COc1cc(O)c(CNC2CCC(N)CC2)cc1OC	843105618	ZCJVFBAOSADODV-UHFFFAOYSA-N	280.368	1.769	10	20	CDCD	
CCOC1CC(O)(CNC(=O)Nc2ccc(N)cc2)C1	841297498	RMOYFZTUELRTOX-UHFFFAOYSA-N	279.340	1.320	10	20	CDCD	
Cn1cc2c(=NCc3ccccc3O)ncnc-2[nH]1	752631222	FFOUYSDMIURREP-UHFFFAOYSA-N	255.281	1.055	10	20	CDCD	
CCc1ncncc1C(=O)NCCc1ccc(O)c(O)c1	762268249	CBMLPFBJBWLUCS-UHFFFAOYSA-N	287.319	1.423	10	20	CDCD	
CCOc1ccc(CN2CCNC(=O)[C@@H]2C)c(O)c1	769191669	AWDCSQFLOPFYEA-JTQLQIEISA-N	264.325	1.111	10	20	CDCD	
CCOC(=O)Cn1cc(COc2ccc(N)cc2)nn1	864621273	HQKUNYCOESPPMS-UHFFFAOYSA-N	276.296	1.002	10	20	CDCD	
O=C1CC[C@]2(C(=O)NCc3ccccc3O)SCCN12	769362896	MANJGCCULMVIPT-CQSZACIVSA-N	292.360	1.074	10	20	CDCD	
CNC(=O)[C@@H]1CCC[C@@H]1NCc1ccc(N(C)C)cc1	765799985	ZYPKEWBHKGPNFV-CABCVRRESA-N	275.396	1.757	10	20	CDCD	
Cc1cc(CN2C[C@H](O)C[C@@]2(C)CO)ccc1N(C)C	878982274	YPTJDKUVAWXTSM-ZBFHGGJFSA-N	278.396	1.379	10	20	CDCD	
COc1cccc(CN2CCC(CO)(OC)CC2)c1O	775204351	QFAKKBOGHFIRLH-UHFFFAOYSA-N	281.352	1.374	10	20	CDCD	
CNC(=O)[C@@H]1CCCN(Cc2c(C)cccc2O)C1	876727707	AATHYUVCYPUOCC-GFCCVEGCSA-N	262.353	1.659	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CCOc2ccncc21	779530631	UCXSMKFBBKVHOK-DUXPYHPUSA-N	298.298	1.932	10	20	CDCD	
Nc1ccc(CC(=O)N[C@@H]2CNC[C@H]2c2ccccc2)cc1	877008900	BQAGGEVJRFZFHS-DLBZAZTESA-N	295.386	1.683	10	20	CDCD	
Cc1cccc(O)c1CN1CC[C@H](n2cncn2)C1	877424925	TVTJFJRLAWKBMS-LBPRGKRZSA-N	258.325	1.739	10	20	CDCD	
CN(Cc1ccon1)C(=O)/C=C/c1ccc(O)c(O)c1	779519247	IYQTTXWGDHWERJ-HWKANZROSA-N	274.276	1.758	10	20	CDCD	
Nc1ccc(CN2CCC(CN3CCOCC3)CC2)cc1	1120262590	AUYKIBZSNASDDP-UHFFFAOYSA-N	289.423	1.813	10	20	CDCD	
C[C@H]1OCC[C@@]1(C)NCc1cc([N+](=O)[O-])ccc1O	784639418	ICLRCSJYJCHJKS-NOZJJQNGSA-N	266.297	1.958	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@@H](N)C[C@H]1C	891564953	NOADHEBTGFAXST-OCCSQVGLSA-N	290.411	1.692	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCC[C@H]1c1nc[nH]n1	899101824	FKMXOZSQZJKQOT-QMMMGPOBSA-N	264.310	1.549	10	20	CDCD	
CN(Cc1ccccc1O)c1ncncc1C(=O)O	1598530639	PDGJLJDLJLAGJD-UHFFFAOYSA-N	259.265	1.517	10	20	CDCD	
COc1ccc(CNC(=O)CCOCC(F)F)c(O)c1	794380458	DMJIXIAKKMLEHV-UHFFFAOYSA-N	289.278	1.689	10	20	CDCD	
COc1cccnc1NC(=O)c1cccc(O)c1O	790614917	MJJALWMKVPKCSM-UHFFFAOYSA-N	260.249	1.754	10	20	CDCD	
CO[C@@H](CNC(=O)c1cccc(O)c1O)C(F)(F)F	790709833	VSVMMGJJXDGGPA-QMMMGPOBSA-N	279.214	1.405	10	20	CDCD	
O[C@@H]1CCOC[C@H]1NCc1ccc2c(c1)CCCO2	922306850	CDSZRVXYULGSCN-ZIAGYGMSSA-N	263.337	1.251	10	20	CDCD	
C[C@@H](C(=O)O)C1(NCc2ccc3c(c2)CCO3)CC1	1328605419	SCFVUQKDRCLDSR-JTQLQIEISA-N	261.321	1.964	10	20	CDCD	
CN1CCC[C@@H]1CNC(=O)NCc1ccc(N)cc1	1346516127	ZMCASVMORAKHQY-CYBMUJFWSA-N	262.357	1.162	10	20	CDCD	
Cn1ncc(C(=O)NCc2ccc(N)cc2)c1C1CC1	1263303851	LCDHTZFILAYCSX-UHFFFAOYSA-N	270.336	1.810	10	20	CDCD	
O=C(O)[C@@H](O)CCNCc1ccc(N2CCCCC2)cc1	1262163891	LEJDXCOEZSUCNZ-HNNXBMFYSA-N	292.379	1.602	10	20	CDCD	
Cn1cc(/C=C2/SC(=S)NC2=O)cc1C(=O)O	1600944704	BQMXTOGYYLFPHA-XVNBXDOJSA-N	268.319	1.212	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H](CCF)C(=O)O	1601238795	NUHUHXRFEABYHV-MDHMXLOGSA-N	283.255	1.040	10	20	CDCD	
O=C(O)C[C@@H]1COCCN1Cc1cc(F)c(F)cc1O	1608702137	BFRHWTZAOUPHEN-SECBINFHSA-N	287.262	1.346	10	20	CDCD	
CCC(CC)(CNC(=O)Cc1ccc(O)c(O)c1)C(=O)O	1589488831	MSVIAJCKLISWDP-UHFFFAOYSA-N	295.335	1.648	10	20	CDCD	
CC(C)CC(=O)NCCC(=O)NCCc1ccc(N)cc1	152486125	ZJYAKSHWWCCKEU-UHFFFAOYSA-N	291.395	1.480	10	20	CDCD	
O[C@H]1CCN(Cc2ccc(N3CCOCC3)cc2)C1	157653659	XSHJAASMKGMOFY-HNNXBMFYSA-N	262.353	1.090	10	20	CDCD	
COC(=O)[C@@H]1CC[C@@H]1C(=O)NCc1ccccc1O	286812915	RYRAMOVLGDAHSQ-WDEREUQCSA-N	263.293	1.208	10	20	CDCD	
Oc1ccccc1CN1CCN(c2cnccn2)CC1	179558594	YMSULHBXHXBHCT-UHFFFAOYSA-N	270.336	1.504	10	20	CDCD	
O=C1CN(Cc2cc(Cl)cc(Cl)c2O)CCN1	179593740	FFHOLXHVPTZGBT-UHFFFAOYSA-N	275.135	1.631	10	20	CDCD	
O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1CCCN1	178710882	YTCMOHMVRZNVSG-HNNXBMFYSA-N	273.380	1.655	10	20	CDCD	
Cc1cc(C)c(O)c(CN2CCS(=O)(=O)C[C@@H]2C)c1	178893606	VBKMKLOTYQBUKW-LBPRGKRZSA-N	283.393	1.628	10	20	CDCD	
Cc1cccc(CN2CC(=O)N[C@H]3CCCC[C@@H]32)c1O	179921677	NWDFKKHZQUZYPA-KBPBESRZSA-N	274.364	1.944	10	20	CDCD	
Cc1ccc(C(=O)N2CCC[C@@H](N(C)C)C2)c(O)c1O	177680866	LKMJPOQDDKUELS-LLVKDONJSA-N	278.352	1.572	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cnsn1	183448037	LOODTYBYSFQPBQ-SSDOTTSWSA-N	279.321	1.310	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CCn1ccnn1	73968123	SHDKFCXQJBYHLO-UHFFFAOYSA-N	287.367	1.393	10	20	CDCD	
CN(C)CCCNCc1ccc(N2CCC(O)CC2)cc1	76275571	VRAKKYFXLRFGIF-UHFFFAOYSA-N	291.439	1.689	10	20	CDCD	
COc1cccc(CN2CC[C@@H](CS(C)(=O)=O)C2)c1O	292874060	WSJUWDFHYQIPJI-LLVKDONJSA-N	299.392	1.267	10	20	CDCD	
CO[C@@H](C(=O)N1CCOc2cc(N(C)C)ccc21)C1CC1	280323970	GWYKNGJQQCBAEN-OAHLLOKOSA-N	290.363	1.903	10	20	CDCD	
C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)c1cccc(O)c1O	288194390	CFOJFPXTXGIAFJ-NEPJUHHUSA-N	290.363	1.797	10	20	CDCD	
Cc1cc(CN2CCNC(=O)[C@@H]2C)ccc1N(C)C	292958138	CLXONWKQEDBNKN-LBPRGKRZSA-N	261.369	1.381	10	20	CDCD	
CC(C)n1cnnc1CN(C)C(=O)c1cccc(O)c1O	294214454	YKXMYAMIQJLGKQ-UHFFFAOYSA-N	290.323	1.542	10	20	CDCD	
CCC(O)(CC)CCNC(=O)c1c(F)ccc(O)c1O	295044546	ADXYOVWKXBXEAJ-UHFFFAOYSA-N	285.315	1.908	10	20	CDCD	
CCOC(=O)c1cnc(Sc2nnc(C)n2N)s1	809345894	XSHMHNIBUGFMFO-UHFFFAOYSA-N	285.354	1.085	10	20	CDCD	
CCO[C@@H]1C[C@@H](NC(=O)c2c(F)ccc(O)c2O)[C@@H]1OC	295018056	UEJOWEJNSPNLGD-JQEORGNBSA-N	299.298	1.159	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cccc(O)n1	819755647	JSDKCCDDRJFYEI-UHFFFAOYSA-N	293.319	1.909	10	20	CDCD	
COc1ccc(CNC(=O)N[C@H](C)[C@H](C)OC)c(O)c1	811958685	FPWWXOGEVTVTID-ZJUUUORDSA-N	282.340	1.623	10	20	CDCD	
C[C@H](NC[C@@H]1CNCCCO1)c1cc(F)cc(F)c1O	817981633	MDGLMWSXNSWLSE-ONGXEEELSA-N	286.322	1.700	10	20	CDCD	
Cc1cc(O)c(CN2CCCNC(=O)C2)cc1Cl	824627512	PBYQEXQWVQKASV-UHFFFAOYSA-N	268.744	1.676	10	20	CDCD	
O=C(NC1CCN(C2CC2)CC1)c1cc(O)cs1	731867294	ROXSNSMLIFUSFU-UHFFFAOYSA-N	266.366	1.810	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@H](C)NC(=O)O)c1	739925570	PTIIRMQUWRDLKM-YUMQZZPRSA-N	282.296	1.234	10	20	CDCD	
O[C@H](CNCc1ccc(N2CCOCC2)c(F)c1)C1CC1	734843808	CCJIRZMSNJVSSK-MRXNPFEDSA-N	294.370	1.523	10	20	CDCD	
CCN(C)c1ccc(CN2C[C@H]3C[C@H]2C(=O)O3)cc1	830691128	SBOAAZILGMUZFN-KGLIPLIRSA-N	260.337	1.642	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N2[C@H]3CC[C@H]2COC3)cc1	837380814	XFOCLLGMHDIXRC-GJZGRUSLSA-N	289.379	1.825	10	20	CDCD	
CCOC1CC(O)(CN[C@@H](C)c2cccc(OC)c2O)C1	846167272	VXAAJMYYSNWFAT-FZWSLVFFSA-N	295.379	1.981	10	20	CDCD	
C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(N)cc2)CCS1	841118168	NDXBAHDNNPFJSG-SNVBAGLBSA-N	293.392	1.561	10	20	CDCD	
CCN(C(=O)c1ccc(C)c(O)c1O)c1cnn(C)c1	848343770	PYVYURFWHBSDRX-UHFFFAOYSA-N	275.308	1.806	10	20	CDCD	
CN(CCn1cccn1)c1ccc(OCC(=O)O)cc1	846279859	OMPGIXDVDLJCTH-UHFFFAOYSA-N	275.308	1.483	10	20	CDCD	
COc1ccc(CNC(=O)OCCCF)c(O)c1	841516443	FXLUPVITTDZOGQ-UHFFFAOYSA-N	257.261	1.987	10	20	CDCD	
CC(C)(C)N1CC[C@@H]1C(=O)NCc1ccc(O)cc1O	910943514	NGFJSLLVOGVOSB-GFCCVEGCSA-N	278.352	1.587	10	20	CDCD	
COc1cc(O)c(CN[C@H]2CC[C@H](CN)C2)cc1OC	841085273	XWVLPKBUBHDPON-JQWIXIFHSA-N	280.368	1.626	10	20	CDCD	
Nc1ccc(NC(=O)C(=O)N2CCC[C@H]2C2CCC2)cc1	841027950	HHTTXPPPXCLYMV-AWEZNQCLSA-N	287.363	1.998	10	20	CDCD	
COC[C@@](C)(CO)NCc1ccc(N(C)C)cc1C	840936065	GCTJCQRIZVLCQG-OAHLLOKOSA-N	266.385	1.548	10	20	CDCD	
CN(Cc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CCNC1	843049419	NNFBWPDMTVVBIU-CQSZACIVSA-N	293.386	1.456	10	20	CDCD	
Cc1ccc(C(=O)N[C@H](CO)C[C@@H]2CCCO2)c(O)c1O	923740712	JRDFEEYLIWXUAP-QWRGUYRKSA-N	295.335	1.066	10	20	CDCD	
CC[C@@H]1CN(Cc2cc(OC)c(OC)cc2O)CC[C@H]1N	843052846	VRXPTDUUZLXAMP-DGCLKSJQSA-N	294.395	1.969	10	20	CDCD	
CCOc1ccc(CN2CCN(CC)C(=O)C2)c(O)c1	758014126	CIHGSPCXKVCSPA-UHFFFAOYSA-N	278.352	1.455	10	20	CDCD	
CC[C@H](CO)N1CCCN(c2ccc(OC)cc2)CC1	929314679	CRGIEMZWXJQBNQ-CQSZACIVSA-N	278.396	1.978	10	20	CDCD	
CC(C)(C)N1C[C@@H](CNC(=O)c2cc(O)cs2)CC1=O	856098924	WBGQNWPFQNHIPC-SECBINFHSA-N	296.392	1.831	10	20	CDCD	
CN1CCCc2cc(CNC(=O)c3ncnn3C)ccc21	853800291	BBJBVOVJEOSESL-UHFFFAOYSA-N	285.351	1.128	10	20	CDCD	
CCN(CCC(=O)OC)Cc1cc2c(cc1O)OC[C@@H]2O	768447886	QPHTZYHWGQFEPR-ZDUSSCGKSA-N	295.335	1.203	10	20	CDCD	
Cc1cccc(O)c1CN1CC(=O)N(CC(F)(F)F)C1	877475794	XIIPGTDLPQYCRC-UHFFFAOYSA-N	288.269	1.865	10	20	CDCD	
Cc1ccc(CN(C)Cc2nnc3n2CCC3)c(O)c1	876558950	ZKLXERQYBXHWLH-UHFFFAOYSA-N	272.352	1.870	10	20	CDCD	
CNC(=O)C1CCN(Cc2c(C)cccc2O)CC1	876554943	KSJZKALUVQMPMO-UHFFFAOYSA-N	262.353	1.659	10	20	CDCD	
CCN(C)c1ccc(CN2C[C@@H](CO)OC[C@H]2C)cc1	773766352	SQVDGCSKMSBPCW-CJNGLKHVSA-N	278.396	1.724	10	20	CDCD	
Cc1ccc(O)c([C@H](C)NCc2nnc3c(=O)[nH]ccn23)c1	886704381	DOJBMPBEMDDEHN-JTQLQIEISA-N	299.334	1.282	10	20	CDCD	
CC(C)CN1CC(=O)N[C@H]1c1cc(F)cc(F)c1O	887327103	XBUCVXRLWFOEPE-CYBMUJFWSA-N	270.279	1.757	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)NC1CCC(CO)CC1	783645264	GSPBHNOXZNDVCU-YWEYNIOJSA-N	291.347	1.778	10	20	CDCD	
O=C1NCC2(CCN(Cc3cc(F)ccc3O)CC2)O1	783722597	HLYLMYKXLQXHBN-UHFFFAOYSA-N	280.299	1.606	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1cnn(C)n1	786184525	JLQWUYRSLSPTNG-UHFFFAOYSA-N	273.340	1.120	10	20	CDCD	
C[C@H]1C(=O)N(C)[C@H](C)[C@H](C)N1Cc1ccccc1O	895923328	WQDSXNUJGWGSAD-WOPDTQHZSA-N	262.353	1.832	10	20	CDCD	
NC(=O)CCCC(=O)NCc1c(O)ccc2c1CCCC2	787448523	DOGVLSYUSFRKTO-UHFFFAOYSA-N	290.363	1.543	10	20	CDCD	
CCc1cc(C(=O)NCc2ccc(OC)cc2O)n[nH]1	794387350	DVYWZIFHSGTIRR-UHFFFAOYSA-N	275.308	1.616	10	20	CDCD	
Cc1cccc(CNC[C@@H]2CCS(=O)(=O)C2)c1O	83514551	QQGKDOFPXBSAEK-NSHDSACASA-N	269.366	1.225	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(C)(C)O	188090411	VITNVMZHIDRHMW-UHFFFAOYSA-N	250.342	1.482	10	20	CDCD	
C[C@](CO)(CNCc1cc(F)cc(F)c1O)CC(=O)O	1334853652	UKAHTINSAOHXAR-CYBMUJFWSA-N	289.278	1.233	10	20	CDCD	
Oc1cc2c(cc1CN1C[C@H]3CC[C@H]1[C@@H](O)C3)[C@@H](O)CO2	1333848085	VWDVCPDFMGURGS-HLHNXRDNSA-N	291.347	1.163	10	20	CDCD	
Nc1ccc(CNC(=O)N2CCC3(CCNCC3)C2)cc1	1337070641	VATQLYICSHTOEK-UHFFFAOYSA-N	288.395	1.554	10	20	CDCD	
Cc1cc(C(=O)NCc2cccc(O)c2O)c(C)n1C	1263894880	YZQCYTZCHHESRY-UHFFFAOYSA-N	274.320	1.983	10	20	CDCD	
Cc1ccn(C[C@@H](C)C(=O)NCc2ccc(N)cc2)n1	1343568364	ZDUBUTSICVPNTK-LLVKDONJSA-N	272.352	1.726	10	20	CDCD	
CC[C@H](N)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	1514581088	HUWVXSSXLDYGFH-LSDHHAIUSA-N	292.427	1.209	10	20	CDCD	
Cc1cc(O)c(CNC[C@]2(C(=O)O)CCOC2)cc1Cl	1600285802	GZKFUDZVGFJLIM-CQSZACIVSA-N	299.754	1.935	10	20	CDCD	
Cc1cc(O)c(CN2CCC[C@@H](O)[C@H]2C(=O)O)cc1C	1607700316	VPSLZVJRULIJHL-OCCSQVGLSA-N	279.336	1.419	10	20	CDCD	
C[C@@H](NCc1cc([N+](=O)[O-])ccc1O)[C@H]1CCCNC1	1576245005	NEZCERYCQUFYKD-MNOVXSKESA-N	279.340	1.778	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CC[C@H]1C(=O)O	1573608617	UDRDAJRIMFSBCH-DVVUODLYSA-N	293.319	1.256	10	20	CDCD	
CCOc1ccc(O)c(CNC[C@@H]2CCO[C@@H]2C(=O)O)c1	1597129784	IANJQIVCSCJQBD-HZMBPMFUSA-N	295.335	1.370	10	20	CDCD	
C[C@@H](Nc1cnn(CCO)c1)c1cc(C(=O)O)ccc1O	1593374189	PSXUILCJUKCQBU-SECBINFHSA-N	291.307	1.452	10	20	CDCD	
CO[C@@H]1CCN(Cc2ccc(C)cc2O)[C@H](C(=O)O)C1	1599125049	YNBZPZATKURYBQ-OLZOCXBDSA-N	279.336	1.765	10	20	CDCD	
C[C@@H](NC(=O)NCC(C)(C)C(=O)O)c1ccccc1O	1599840216	YITFIPJKOSXYJA-SECBINFHSA-N	280.324	1.863	10	20	CDCD	
CC(=O)NC[C@@H]1CCCN(Cc2ccccc2O)C1	155651624	IAUFGDWCSUCWBM-ZDUSSCGKSA-N	262.353	1.740	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@H]2CCCNCC2)cc1	846673198	QOCGFKGSJYLRHB-AWEZNQCLSA-N	275.396	1.759	10	20	CDCD	
CS(=O)(=O)N1CC[C@H](N[C@H]2CCc3cccc(O)c32)C1	400252925	OSDPLLRAIWBGSC-RYUDHWBXSA-N	296.392	1.003	10	20	CDCD	
CN(C)C(=O)N1CCN(Cc2cccc(Cl)c2O)CC1	401662230	YHYWAIKMBXWJNX-UHFFFAOYSA-N	297.786	1.845	10	20	CDCD	
CN1CCN(C)[C@H](CNCc2c(O)cccc2Cl)C1	83552539	NWBJIMCJLLIBSU-LLVKDONJSA-N	283.803	1.381	10	20	CDCD	
Oc1cccc(Cl)c1CN1CC[C@@H]2CNC[C@@H]21	385380897	NZWRCCKIZZWKSS-SKDRFNHKSA-N	252.745	1.839	10	20	CDCD	
CCCNC(=O)NCc1ccc(N2CCOCC2)c(F)c1	57465417	OMSYHWUZPODDRK-UHFFFAOYSA-N	295.358	1.872	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CCC[C@H](N)C2)c1O	50149745	DUMVRHNSFGGSSU-LBPRGKRZSA-N	266.316	1.657	10	20	CDCD	
COc1cccc(CNC(=O)C[C@@H](C)OC)c1O	105650751	JXICRSSVFJJTMX-SECBINFHSA-N	253.298	1.442	10	20	CDCD	
COCCCNC(=O)CN1CCCc2cc(CN)ccc21	62801616	VQICMNADCMRLDP-UHFFFAOYSA-N	291.395	1.051	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(C#N)cn1	183469123	CGCCFOLAFQSGLH-SNVBAGLBSA-N	297.314	1.725	10	20	CDCD	
CNC(=O)CN1CCC(N[C@H](C)c2ccccc2O)CC1	36990356	DCYBEEDZEILBJQ-GFCCVEGCSA-N	291.395	1.253	10	20	CDCD	
CCOc1cccc(CN2CCC[C@H](N)C2)c1O	41027803	QVBDFTZBRUMVHH-LBPRGKRZSA-N	250.342	1.714	10	20	CDCD	
CCCNC(=O)CN[C@H](C)c1ccc(F)c(F)c1O	191186181	DOWKDIXBSBBSAN-MRVPVSSYSA-N	272.295	1.847	10	20	CDCD	
COc1cc(O)c(CN(C)C[C@H](C)O)cc1OC	130792284	DONBZXGMKJNOEB-VIFPVBQESA-N	255.314	1.222	10	20	CDCD	
COc1cccc(CN[C@H](C(=O)O)C2CC2)c1O	86758309	NEGJBQQKKPVJTK-NSHDSACASA-N	251.282	1.354	10	20	CDCD	
OC[C@@H](O)CNCc1ccc(N2CCCCC2)cc1	90282303	HIDJNIMSGHBOKZ-HNNXBMFYSA-N	264.369	1.120	10	20	CDCD	
CN(CC(C)(C)CO)C(=O)c1cccc(O)c1O	295777639	DDCTYADJKFRBON-UHFFFAOYSA-N	253.298	1.188	10	20	CDCD	
CCOc1ccc(O)c(CN2CCOC[C@@H]2C(=O)OC)c1	271213476	ZFNSJFWYPOFCJP-CYBMUJFWSA-N	295.335	1.165	10	20	CDCD	
Cc1cc(O)c(CNCc2cc(C(N)=O)no2)cc1C	273377594	HAKNATWBKXVNRL-UHFFFAOYSA-N	275.308	1.386	10	20	CDCD	
CON(CC1CCOCC1)C(=O)c1ccc(C)c(O)c1O	282330484	AZVIRPADQLNJNJ-UHFFFAOYSA-N	295.335	1.836	10	20	CDCD	
CC[C@H]1NCC[C@H]1C(=O)NCc1ccc(N(C)C)c(F)c1	289481550	BXKAPHRGPXDDAA-TZMCWYRMSA-N	293.386	1.896	10	20	CDCD	
COCCN(Cc1ccccc1O)[C@H]1CCS(=O)(=O)C1	290328820	DONVHWMFYYYZQY-ZDUSSCGKSA-N	299.392	1.028	10	20	CDCD	
Cc1cc(CN(C)CCOCCO)ccc1N(C)C	293954432	BZFJCVZCUCRRTI-UHFFFAOYSA-N	266.385	1.502	10	20	CDCD	
CNC(=O)C1CN(Cc2cc(Br)ccc2O)C1	297496601	VTNYCHXGTVUYNK-UHFFFAOYSA-N	299.168	1.333	10	20	CDCD	
C[C@@H](NC1CC1)C(=O)N1CCOc2cc(N(C)C)ccc21	294697509	CDIRSSSMSVEEDG-LLVKDONJSA-N	289.379	1.619	10	20	CDCD	
CCCN(CC(N)=O)Cc1cc(C)c(C)cc1O	814177829	QFBIGJVTGGSFBK-UHFFFAOYSA-N	250.342	1.706	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)c1cnn(CCF)c1	813489124	PLQFCPPSGWIUOA-UHFFFAOYSA-N	279.271	1.194	10	20	CDCD	
O=C(O)CCCCCNCc1cc2c(cc1O)OCO2	819406497	MWBFQLSYUXUDLN-UHFFFAOYSA-N	281.308	1.856	10	20	CDCD	
COc1cc(O)c(CN(C)C2(CO)CCC2)cc1OC	827904184	VQMJRHSETKCJEC-UHFFFAOYSA-N	281.352	1.756	10	20	CDCD	
CC(C)(C)N1CC[C@H]1C(=O)NCc1ccccc1O	827758569	SFYLJQLJKLLBOR-LBPRGKRZSA-N	262.353	1.881	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)NCc1ccncc1	588403359	HZNJMJXOHFRFLN-RQOWECAXSA-N	270.288	1.822	10	20	CDCD	
CC[C@@H](C(=O)N[C@H](C)c1ccccc1O)C(=O)OC	827946904	URXCKDNCHMJUFT-ZJUUUORDSA-N	265.309	1.769	10	20	CDCD	
Cc1ccccc1/C=C1/SC(=S)N(CC(N)=O)C1=O	727176980	UZZJYPNBULFALG-UXBLZVDNSA-N	292.385	1.682	10	20	CDCD	
COc1ccc(O)c(CN2C[C@@H](C)[C@@](C)(CO)C2)c1	827699118	FFRGTTWZIBJZOE-IAQYHMDHSA-N	265.353	1.851	10	20	CDCD	
C[C@H](NC(=O)NOCC(C)(C)O)c1ccc(N(C)C)cc1	824506247	UDVYAPHZNPCHDP-NSHDSACASA-N	295.383	1.815	10	20	CDCD	
O=C1[C@H](NCc2cc(F)ccc2O)C[C@@H]2CCCCN12	835075014	UJGYWFALLPANIB-QWHCGFSZSA-N	278.327	1.774	10	20	CDCD	
CN1C(=O)/C(=C\c2c[nH]c(C(=O)O)c2)SC1=S	830893672	AVIFSTZWWJYDLH-XVNBXDOJSA-N	268.319	1.544	10	20	CDCD	
COc1ccc(O)c(CNC(=O)NCCCCC(=O)O)c1	738044930	UMNPXMMWSBTQIJ-UHFFFAOYSA-N	296.323	1.455	10	20	CDCD	
CN(C)c1ccc(CN2CCN(c3ncc[nH]3)CC2)cc1	846876391	RGRAFYDYYQPKMQ-UHFFFAOYSA-N	285.395	1.798	10	20	CDCD	
COc1cccc([C@H](C)N[C@@H](C)C(=O)NC(C)C)c1O	846172960	OEELWYGQZODDGT-QWRGUYRKSA-N	280.368	1.965	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCC(=O)C2)c1	843831777	REHBPCBLFCEKBY-VHSXEESVSA-N	277.320	1.947	10	20	CDCD	
COC[C@H](CCO)NCc1ccc(N(C)C)cc1C	840933278	GCRFECRHHUWGJF-AWEZNQCLSA-N	266.385	1.548	10	20	CDCD	
CCOc1ccc(CN2CCNC[C@@H]2C)c(O)c1	843047993	HBAOENONSFOPSF-NSHDSACASA-N	250.342	1.585	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2CCC[C@@H](CN)C2)c1O	843047527	SMUFYKXAEUBFAA-JTQLQIEISA-N	295.339	1.480	10	20	CDCD	
NC[C@H]1CC[C@H](NCc2ccc(N3CCOCC3)cc2)C1	841084429	JHQOCKFDCYDDMC-HOTGVXAUSA-N	289.423	1.740	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CCNC1	841826779	IXEYSOFHYIMQSO-ZDUSSCGKSA-N	276.384	1.222	10	20	CDCD	
CCn1ccc(CC(=O)N(C)Cc2ccccc2O)n1	845790757	CSSLWECMSUWTKC-UHFFFAOYSA-N	273.336	1.810	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN(C)[C@@H](C)CN)c1O	843051148	FGRQGSIZNNGMSQ-QMMMGPOBSA-N	269.301	1.088	10	20	CDCD	
CC(=O)N[C@H](C)C(=O)N[C@H](C)c1ccccc1O	827917338	MDMBWJHWLHTNKM-RKDXNWHRSA-N	250.298	1.094	10	20	CDCD	
CCCN(Cc1ccccc1O)C[C@H](O)[C@@H](C)O	929753349	NXBPINKQXZBPBB-RISCZKNCSA-N	253.342	1.346	10	20	CDCD	
C[C@@H](NCc1ccc2c(c1)CCCO2)C(=O)NCCF	922101286	CYEPHCSCQCOWJZ-LLVKDONJSA-N	280.343	1.575	10	20	CDCD	
C[C@@H](NCCCS(C)(=O)=O)c1cc(F)cc(F)c1O	756535813	ROXYUTHMJKGLPK-MRVPVSSYSA-N	293.335	1.756	10	20	CDCD	
C[C@@H]1CN(C(=O)/C=C\c2ccc(O)c(O)c2)C[C@]1(C)CO	856250323	IFFVNWHSALBKCY-FEDKEEKNSA-N	291.347	1.588	10	20	CDCD	
C[C@@H](NC(=O)[C@H]1CCOC(=O)N1)c1ccc(N(C)C)cc1	860951101	YLYLFYAQKFKJDC-ZWNOBZJWSA-N	291.351	1.428	10	20	CDCD	
Cn1cccc1CNC(=S)NC[C@@H]1CCCCO1	1116388224	CDRGOPBYZYGGFS-LBPRGKRZSA-N	267.398	1.558	10	20	CDCD	
Oc1ccc(F)cc1CN[C@]12CCC[C@H]1NCC2	873229925	IYHONMDRUUPOFN-KGLIPLIRSA-N	250.317	1.906	10	20	CDCD	
CCOC(=O)C1=NN(c2ccc(C)cc2)C(=O)[C@@H]1C	871940191	DVVRIVAVWRBVGH-SNVBAGLBSA-N	260.293	1.897	10	20	CDCD	
COCC1(NCc2ccc(N3CCN(C)CC3)cc2)CC1	771843448	PYILXOGYOWHYOE-UHFFFAOYSA-N	289.423	1.707	10	20	CDCD	
COCCN(C)C(=N)NCc1ccc(OC)cc1O	871605731	IIJSTLAFQBZGBN-UHFFFAOYSA-N	267.329	1.003	10	20	CDCD	
CCN1CCN(CCC(=O)N(C)c2ccc(N)cc2)CC1	877077790	URZUNZZQQMQLLA-UHFFFAOYSA-N	290.411	1.259	10	20	CDCD	
CCC[C@]1(C)C(=O)NCCN1Cc1ccc(N)cc1	1120268218	CRNFJHCNUHKORW-OAHLLOKOSA-N	261.369	1.759	10	20	CDCD	
Nc1ccc(CNC(=O)N2[C@H]3CC[C@H]2COC3)cc1	1120592153	QAKFCDYRKJXFPS-STQMWFEESA-N	261.325	1.342	10	20	CDCD	
COCCCN(C)CCNCc1cc(F)cc(F)c1O	883018241	VFUKYAUMMZXOOI-UHFFFAOYSA-N	288.338	1.728	10	20	CDCD	
COC(=O)[C@H]1CCN(Cc2cc3c(cc2O)OCO3)[C@H]1C	787246040	PUQLAWNGRSHJJV-ONGXEEELSA-N	293.319	1.504	10	20	CDCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N1CC[C@H]1CO	893135914	QYUJOIUENDZQED-HNNXBMFYSA-N	287.363	1.339	10	20	CDCD	
CC(C)(NC(=O)c1cccc(O)c1O)C(=O)N1CCCC1	794407432	OJLJOQIFUOPQPS-UHFFFAOYSA-N	292.335	1.229	10	20	CDCD	
COc1ccc(O)c(CN(C)C[C@@H](C)C(=O)O)c1	86807852	MSFXQNNFVZCEIN-SECBINFHSA-N	253.298	1.553	10	20	CDCD	
CN1CCC[C@H](NCc2ccc3c(c2)CCO3)C1=O	704345313	ONSRLISRDGOEOP-ZDUSSCGKSA-N	260.337	1.332	10	20	CDCD	
CC(C)c1n[nH]c(CNC(=O)c2cc(O)cs2)n1	1328383026	NFUVJVLSVPPIFQ-UHFFFAOYSA-N	266.326	1.625	10	20	CDCD	
CSC[C@](C)(O)CNC(=O)NCc1ccc(N)cc1	1338793426	PHHMKOPPCQHSOT-CYBMUJFWSA-N	283.397	1.182	10	20	CDCD	
COc1ccc(CNC(=O)C[C@@H](N)CC(C)C)c(O)c1	1343661566	WTQSHBLXUYQWIL-LBPRGKRZSA-N	280.368	1.781	10	20	CDCD	
O=C(O)c1ccnc(C(=O)NCc2ccc(O)cc2O)c1	1608951621	FWFLLEFZJOKEAP-UHFFFAOYSA-N	288.259	1.121	10	20	CDCD	
CCOc1ccc(O)c(CN2CCCNC[C@H]2C(=O)O)c1	1610042980	NCQZIUXFWXXILD-ZDUSSCGKSA-N	294.351	1.039	10	20	CDCD	
COC(=O)[C@@H]1CO[C@H](CCC(=O)Oc2ccc(N)cc2)C1	1578839013	NWXGNARTCBASCR-GXFFZTMASA-N	293.319	1.533	10	20	CDCD	
CC[C@H](C(=O)O)C(=O)N[C@@H](C)c1ccccc1O	1594757555	GHOAQLFUPITVRV-IUCAKERBSA-N	251.282	1.680	10	20	CDCD	
C[C@](CO)(NCc1c(O)ccc(Cl)c1F)C(=O)O	1592750078	JLKMNEVKNZCUAV-LLVKDONJSA-N	277.679	1.110	10	20	CDCD	
O=C(O)C[C@@H](O)CNCc1c(O)ccc(Cl)c1F	1777630746	JCMOVVQFXGWACF-ZCFIWIBFSA-N	277.679	1.110	10	20	CDCD	
CN(C)CC[C@@H](NCc1ccc2c(c1)CCCO2)C(=O)O	1777030373	OIOAQSHNYRNUAE-CQSZACIVSA-N	292.379	1.506	10	20	CDCD	
COc1cccc(CN2CCC[C@H](CO)C2)c1O	154585662	YCHDTGFHNOVNNA-NSHDSACASA-N	251.326	1.605	10	20	CDCD	
CN(Cc1ccccc1O)S(=O)(=O)CC[C@@H]1CCCO1	159640743	QJYPDYOBPAKFRT-ZDUSSCGKSA-N	299.392	1.723	10	20	CDCD	
c1cc2c(cc1CNCC1OCCCO1)CCCO2	922282034	OFULWMOFJCABAT-UHFFFAOYSA-N	263.337	1.864	10	20	CDCD	
Cc1ccc(O)c([C@H](C)NC[C@@H]2CCCNC2=O)c1	840825775	LHZIEALZYOKOSQ-RYUDHWBXSA-N	262.353	1.877	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(C)(C)N	40923405	WRWGHHKGTSLDAR-UHFFFAOYSA-N	263.385	1.838	10	20	CDCD	
C[C@H](NC[C@@]1(O)CCN(C)C1)c1cc(F)ccc1O	702652926	NRBAWTWARJNHQE-HZMBPMFUSA-N	268.332	1.249	10	20	CDCD	
CCC[C@H](CCO)NC(=O)c1cccc(O)c1O	716949792	UYJZOKYKZZZHJX-SECBINFHSA-N	253.298	1.379	10	20	CDCD	
C[C@H](O)CN[C@H](C)c1ccc(N2CCOCC2)cc1	179577274	GXVMXWIGUWVDHE-QWHCGFSZSA-N	264.369	1.555	10	20	CDCD	
Cc1ccc(C(=O)N[C@H]2CC[C@H](CO)CC2)c(O)c1O	182820601	OTZABYSXMRXTKG-PHIMTYICSA-N	279.336	1.687	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(F)nc1	186436881	DLMJDVXOVVNALW-SECBINFHSA-N	290.294	1.993	10	20	CDCD	
CCc1nnsc1C(=O)NCc1ccc(O)c(O)c1	182515466	PBVYTBXFWUFOLY-UHFFFAOYSA-N	279.321	1.442	10	20	CDCD	
COc1cccc(CNC(=O)NCc2cc(C)no2)c1O	73918682	WYDSXVLBYKFHCF-UHFFFAOYSA-N	291.307	1.697	10	20	CDCD	
C[C@H]1CN(C(=O)c2cccc(O)c2O)CC[C@H]1C(=O)O	312925693	XDCSRGVBBJFUKG-DTWKUNHWSA-N	279.292	1.281	10	20	CDCD	
CCCOc1ccc(CN(C)C[C@@H](C)O)c(O)c1	130803409	QPYWTLAFSSUQOE-LLVKDONJSA-N	253.342	1.994	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)COCC1CC1	186428530	OETPMWUMRLFFHU-JTQLQIEISA-N	279.336	1.572	10	20	CDCD	
Cc1ccc(C(=O)N2CCC[C@H]2C[C@H](C)O)c(O)c1O	182894024	AHNBTKFYPLFCAL-QWRGUYRKSA-N	279.336	1.782	10	20	CDCD	
C[C@@H](NC[C@@H](C)N1CCN(C)CC1)c1ccc(F)cc1O	185364255	MHWWTYPFBQYYNT-CHWSQXEVSA-N	295.402	1.818	10	20	CDCD	
CCOc1cccc(CNCCC(=O)NC)c1O	44988230	PPTUKDDATGUFCG-UHFFFAOYSA-N	252.314	1.017	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NCCCCCO	193367910	RASXTNBZAJSOKT-FNORWQNLSA-N	265.309	1.390	10	20	CDCD	
CCN(CCO)C(=O)NCc1ccc(N2CCCC2)cc1	46983966	DLNNFFUWYDEOJS-UHFFFAOYSA-N	291.395	1.811	10	20	CDCD	
CN(C(=O)c1ccoc1CC(N)=O)c1ccccc1	349081290	IPZDEHKDJBJXFN-UHFFFAOYSA-N	258.277	1.584	10	20	CDCD	
CCCCN1CC(=O)N[C@H]1c1cc(OC)c(OC)cc1O	271046130	LWMSIKBNQNUCCJ-OAHLLOKOSA-N	294.351	1.640	10	20	CDCD	
Cc1ccc(C(=O)N2CCO[C@@H]3CCC[C@@H]32)c(O)c1O	272765319	LZUQCGIKELVVCV-NWDGAFQWSA-N	277.320	1.800	10	20	CDCD	
COC(=O)[C@H]1COCCN1Cc1cc(Cl)cc(C)c1O	271759441	YFRBDIHFXQQDBD-GFCCVEGCSA-N	299.754	1.728	10	20	CDCD	
OC[C@@H](CNCc1ccccc1O)[C@@H]1CCOC1	280365645	UHGUOKXJYIKVFY-CHWSQXEVSA-N	251.326	1.127	10	20	CDCD	
CCN(CC(=O)N(C)C)c1ccc(OC)c(OC)c1	299274143	KSZMOKOFVOZHFW-UHFFFAOYSA-N	266.341	1.618	10	20	CDCD	
CCOc1ccc(O)c(CN2CC[C@@](F)(CO)C2)c1	802660454	LVVOLBKGQKGSHA-AWEZNQCLSA-N	269.316	1.697	10	20	CDCD	
O=C(NC1CCN(C2CCC2)CC1)c1cccc(O)c1O	297222847	QXMRZSTVTJAGQM-UHFFFAOYSA-N	290.363	1.845	10	20	CDCD	
CC[C@@H](NCCCN1CCNCC1)c1ccc(F)cc1O	817935607	KARMZMTVZNHZAU-OAHLLOKOSA-N	295.402	1.867	10	20	CDCD	
C[C@@H](NCc1ccc2c(c1)CCCN2C)C1CNC1	817900285	LXQFJASEBKOWKU-GFCCVEGCSA-N	259.397	1.767	10	20	CDCD	
C[C@@H](CN)CN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1	817962444	MHYMKMWVTWFNDD-STQMWFEESA-N	295.402	1.908	10	20	CDCD	
Cc1noc(OCC(=O)c2ccc(O)c(O)c2)n1	730730590	CPHWBUGSQLWYDK-UHFFFAOYSA-N	250.210	1.051	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1ccc(O)nn1	734471746	TZMNUYGZONRIBI-UHFFFAOYSA-N	286.335	1.487	10	20	CDCD	
COCCS(=O)(=O)Nc1cc(F)c(O)cc1Cl	901963359	RFZTYOHROWWAEP-UHFFFAOYSA-N	283.708	1.573	10	20	CDCD	
CO[C@@H](CNCc1cc([N+](=O)[O-])ccc1O)C(F)(F)F	733329963	MNXCVTHUQAQIJJ-JTQLQIEISA-N	294.229	1.967	10	20	CDCD	
Cc1cnc(COC(=O)c2cc(O)cs2)cn1	732353491	RFEMRSSCQBOAKV-UHFFFAOYSA-N	250.279	1.909	10	20	CDCD	
COC[C@]1(CNCc2ccc3c(c2)CCO3)CCCN1	841067695	ONZDFIGOBPTFKF-MRXNPFEDSA-N	276.380	1.480	10	20	CDCD	
C[C@H](NCCN1C(=O)CNC1=O)c1ccc(Cl)cc1O	841752325	OHYLUVSSJKGQRY-QMMMGPOBSA-N	297.742	1.248	10	20	CDCD	
COc1ccc(N(C)CCN(C)CC(C)(C)N)cc1	844902292	OUVCWELJCGNATH-UHFFFAOYSA-N	265.401	1.801	10	20	CDCD	
CCN(CC)c1ccc(CNCCNC)cc1F	841037304	XMTPZQLKVMOATM-UHFFFAOYSA-N	253.365	1.981	10	20	CDCD	
C[C@H](C[C@@H]1CCCN1)NC[C@H](N)c1ccc(N(C)C)cc1	841042806	PCRVZBLLESNCNN-KMFMINBZSA-N	290.455	1.873	10	20	CDCD	
CN(C)c1ccc(CN[C@@H](CO)[C@@H]2CCCOC2)cc1F	840963673	SGNYJZNDOHNCSX-HIFRSBDPSA-N	296.386	1.769	10	20	CDCD	
C[C@@H]1C[C@@H](NC[C@@]2(O)CCOC2)c2c(O)ccc(F)c21	756769824	NYYBHNQAKHRFCO-OSQNNJELSA-N	281.327	1.821	10	20	CDCD	
Cc1nc(=NCc2c(O)cccc2Br)n(C)[nH]1	865291690	OSGNBMJOTBRVTO-UHFFFAOYSA-N	297.156	1.626	10	20	CDCD	
C[C@H]1OCC[C@H]1COC(=O)c1cccc(O)c1O	869476480	CSKRGELXDRCAMF-BDAKNGLRSA-N	252.266	1.680	10	20	CDCD	
C[C@@H](NC[C@]1(O)CCN(C)C1)c1cc(Cl)ccc1O	762786899	LOTUVXLAHPINMI-QMTHXVAHSA-N	284.787	1.763	10	20	CDCD	
CN(C)c1cc(F)c(CN2CC[C@@H](NC(N)=O)C2)cc1F	862252849	HVSMBXYHMZJYOF-SNVBAGLBSA-N	298.337	1.273	10	20	CDCD	
COC(=O)Cn1ncc(NCc2ccc(C)cc2O)c1C	877488825	NSTDVYNNHXULRD-UHFFFAOYSA-N	289.335	1.991	10	20	CDCD	
COCC[C@@]1(NCc2cc3c(cc2O)OCO3)CCOC1	775034980	VRMQEHIRNGXTOG-OAHLLOKOSA-N	295.335	1.406	10	20	CDCD	
Cc1cc(O)c(CNc2cnn(CCO)c2)cc1C	776253612	ZALQZQUTYTXEEN-UHFFFAOYSA-N	261.325	1.810	10	20	CDCD	
COC[C@@H]1CN(Cc2ccc(C)cc2O)CCO1	876748537	DZIFFGZTJMBCMX-ZDUSSCGKSA-N	251.326	1.548	10	20	CDCD	
Cc1cccc(O)c1CN[C@H](C)CN1CCCC1=O	876950799	WNPYIWJRYZXHQN-GFCCVEGCSA-N	262.353	1.801	10	20	CDCD	
COCCc1noc(CN[C@H](C)c2ccccc2O)n1	879648176	BWDKDFALOMASLA-SNVBAGLBSA-N	277.324	1.815	10	20	CDCD	
CCn1cc(-c2nn(C)cc2C(=O)N(C)c2cn[nH]c2)cn1	778947967	PKOSTKPOFJBYAS-UHFFFAOYSA-N	299.338	1.303	10	20	CDCD	
COCCO[C@@H]1COCC[C@@H]1NCc1cc(C)ccc1O	776812586	LIPDTFILXYFFGE-GOEBONIOSA-N	295.379	1.611	10	20	CDCD	
C[C@@H](NCC(=O)N1CCOCC1)c1c(O)cccc1F	886562304	WFDDGHDBENLDIY-SNVBAGLBSA-N	282.315	1.041	10	20	CDCD	
C[C@@H](N[C@@H]1CC(=O)N(C)C1)c1c(O)cccc1F	886521384	ZRPZVLOHPYWCSP-RKDXNWHRSA-N	252.289	1.413	10	20	CDCD	
C[C@H](CN1CCN(C)CC1)NCc1cc(F)cc(F)c1O	882988198	FVFNLZWUXUCYIO-LLVKDONJSA-N	299.365	1.396	10	20	CDCD	
C[C@@H](NC(=O)N(C)Cc1ccccc1O)c1ncn(C)n1	780694065	CAAQCPNDEPLVKU-SNVBAGLBSA-N	289.339	1.423	10	20	CDCD	
O=C(C1CC1)N1CCN(Cc2cc(F)cc(F)c2O)CC1	893903163	PYUALASMXDKEAT-UHFFFAOYSA-N	296.317	1.725	10	20	CDCD	
CN1CCCc2cc(CNC(=O)N3CC[C@H]3CO)ccc21	892492838	UXZYACKNZUDPHC-AWEZNQCLSA-N	289.379	1.345	10	20	CDCD	
C[C@]1(CO)C[C@@H](O)CN1Cc1cccc(Cl)c1O	895327971	FONAWCWXPPWRDN-ZWNOBZJWSA-N	271.744	1.363	10	20	CDCD	
COc1cccc(O)c1CN[C@@H](CO)C[C@@H]1CCCO1	886229901	XNRJZFOBIMKMAK-NEPJUHHUSA-N	281.352	1.420	10	20	CDCD	
COc1ccc(CNC(=O)N[C@@H]2CCO[C@H](C)C2)c(O)c1	793032248	WIOQYYDHTAVIIV-ZYHUDNBSSA-N	294.351	1.768	10	20	CDCD	
COc1ccc(CNC(=O)NC[C@H]2CCC=CO2)c(O)c1	793064711	FKBPVOPNZHRJCM-CYBMUJFWSA-N	292.335	1.893	10	20	CDCD	
COc1ccc(O)c(CN2CCN(C[C@H](C)O)C[C@@H]2C)c1	793586196	GQEATZZQLWNLOZ-STQMWFEESA-N	294.395	1.288	10	20	CDCD	
CCOCCOC[C@@H](O)CNCc1cc(C)c(C)cc1O	791007468	WZWRFLGRACDCFK-HNNXBMFYSA-N	297.395	1.513	10	20	CDCD	
COc1cccc(CNCC2(S(C)(=O)=O)CC2)c1O	279746863	YCRSYXNMMDOODO-UHFFFAOYSA-N	285.365	1.068	10	20	CDCD	
CC(C)CO[C@H]1CCN(C(=O)c2cccc(O)c2O)C1	193133423	YRIKZDYPMOLDQY-NSHDSACASA-N	279.336	1.985	10	20	CDCD	
CN(C)c1ccc(CN[C@H](C(=O)O)[C@H]2CCCO2)cc1	1330287448	YKRARJYTOOZDLF-KGLIPLIRSA-N	278.352	1.474	10	20	CDCD	
Cn1c(C(=O)O)ccc1C(=O)NCc1ccc(O)cc1O	1600904495	YGXOOGCEGADNPJ-UHFFFAOYSA-N	290.275	1.065	10	20	CDCD	
COCC(=O)N[C@@H](C)[C@@H](C)NCc1ccc(OC)c(C)c1	1755223175	HIDAHHQKARFLJS-OLZOCXBDSA-N	294.395	1.633	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)c1ccoc1CC(=O)O	1598530367	CBFMDSXMXGBARR-UHFFFAOYSA-N	289.287	1.885	10	20	CDCD	
CN(C(=O)/C=C/c1cn(C)cn1)c1ccccc1C(=O)O	1598005815	DISPXGHBKMNWAA-BQYQJAHWSA-N	285.303	1.795	10	20	CDCD	
C[C@@H]1C[C@@H](NC(=O)c2cccc(O)c2O)CCN1C	126500038	VQRZPFVJIZNQPR-ZJUUUORDSA-N	264.325	1.310	10	20	CDCD	
O=C(NC[C@H]1CCCC[C@@H]1O)c1cccc(O)c1O	126622462	QIBGZORVRMFESH-KOLCDFICSA-N	265.309	1.379	10	20	CDCD	
CN1CCN(CCCNCc2cccc(Cl)c2O)CC1	159732227	RTAQVJBISCUYPQ-UHFFFAOYSA-N	297.830	1.773	10	20	CDCD	
Cc1cccc(CNCCCN2CCN(C)CC2)c1O	159732366	NXVPLYZPJUXNGW-UHFFFAOYSA-N	277.412	1.428	10	20	CDCD	
NC(=O)C[C@H]1CCN(Cc2c(O)cccc2Cl)C1	368134342	LVOYXZIWFCRXMY-SECBINFHSA-N	268.744	1.743	10	20	CDCD	
CCOC(=O)[C@@H](C)NCc1cccc(CC)c1O	709430501	JGSQEKSBHIIHJF-SNVBAGLBSA-N	251.326	1.996	10	20	CDCD	
C[C@H]1C[C@H](CNC(=O)Cc2ccc(N)cc2)CCO1	389140430	YCXMKGBUHFRBAC-WCQYABFASA-N	262.353	1.743	10	20	CDCD	
Cn1nncc1CNCc1cc(Cl)ccc1O	394899402	FUKUEOMDVGXLNT-UHFFFAOYSA-N	252.705	1.464	10	20	CDCD	
CC[C@H](N[C@H](C)c1ccc(N2CCOCC2)cc1)C(N)=O	112536903	SQZUAYPFZRZCFQ-DOMZBBRYSA-N	291.395	1.438	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)CNCCOC)cc1	178712632	ODQFHYYOYHOCDG-UHFFFAOYSA-N	293.411	1.385	10	20	CDCD	
Cc1cccc(CNCCCS(C)(=O)=O)c1O	124801436	DSPDYNRHDQVAKS-UHFFFAOYSA-N	257.355	1.225	10	20	CDCD	
C[C@@H](NC[C@@]1(O)CCOC1)c1cc(F)ccc1O	186178744	WKWJYJPCVAVJCC-RNCFNFMXSA-N	255.289	1.333	10	20	CDCD	
COC[C@@H](O)COc1ccc(N2CCCC2)cc1	180789152	QYCZOGMTBYKHDR-CYBMUJFWSA-N	251.326	1.673	10	20	CDCD	
COCCN1CC[C@@H](NCc2cc(C)ccc2O)C1	264948793	JUKWCAVBDCLLDC-CQSZACIVSA-N	264.369	1.511	10	20	CDCD	
Oc1cc2c(cc1CN1CCN(C3CCC3)CC1)OCO2	264907022	DFEXJSJTSBLCHN-UHFFFAOYSA-N	290.363	1.791	10	20	CDCD	
C[C@@H]1COCCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1	364996495	SWNYQHVSXDLURN-TZNOJPMFSA-N	277.320	1.606	10	20	CDCD	
O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1C[C@]12CCNC2	364211806	IXBKCVKUNRCLCP-WMZOPIPTSA-N	299.418	1.903	10	20	CDCD	
CCOCCOCCN(C)C(=O)c1ccc(C)c(O)c1O	276275259	UQBCXTUQXUCQHP-UHFFFAOYSA-N	297.351	1.531	10	20	CDCD	
Nc1ccc(CC(=O)Nc2cnc3c(c2)CNCC3)cc1	362275944	HHENDYNRYXJTQH-UHFFFAOYSA-N	282.347	1.491	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@H]2CCCN2C2CC2)cc1	279793478	VGTDORZNFKVMLD-INIZCTEOSA-N	287.407	1.996	10	20	CDCD	
Cc1cc(O)c(CN2CCN3C(=O)OC[C@H]3C2)cc1C	378345146	HMQDISFYERBSBG-CYBMUJFWSA-N	276.336	1.645	10	20	CDCD	
COC(=O)C[C@@H](C)CC(=O)N(C)Cc1ccccc1O	289334815	VJQNGRQOBBSTJV-NSHDSACASA-N	279.336	1.940	10	20	CDCD	
CC[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)C(=O)O	818317567	YWADDHZONIFLNY-CYBMUJFWSA-N	296.342	1.615	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)c1n[nH]c(O)n1	727168692	VLMNMVWFRPBUSK-UHFFFAOYSA-N	276.296	1.268	10	20	CDCD	
O=C1NCCN(C(=O)/C=C/c2cccnc2)c2ccccc21	491970402	CQFKWAWUPXEPTK-BQYQJAHWSA-N	293.326	1.871	10	20	CDCD	
C[C@@H](C(=O)N(C)Cc1ccccc1O)c1cnccn1	906992195	SANSDYMOIIVCMV-LLVKDONJSA-N	271.320	1.944	10	20	CDCD	
Cc1ccc(C(=O)N2CCC[C@H]2C(=O)O)c(O)c1O	821063954	JFPHMYZKAOBGKY-VIFPVBQESA-N	265.265	1.095	10	20	CDCD	
C[C@@H]1CC[C@H](CNC(=O)NCc2ccccc2O)O1	838059508	BOARIBORRQXOSW-ZYHUDNBSSA-N	264.325	1.759	10	20	CDCD	
COc1cccc(CNC(=O)[C@@H]2CCCC(=O)N2C)c1O	907060823	PJJRPHBOJNWRGJ-NSHDSACASA-N	292.335	1.028	10	20	CDCD	
COc1cccc(CNC(=O)[C@H](C)c2cnccn2)c1O	907061642	WAFUPSVKHKGQQW-SNVBAGLBSA-N	287.319	1.611	10	20	CDCD	
COCC1(C(=O)NCc2ccc(O)cc2O)CCC1	910946595	RFXHQVHGXCYEEA-UHFFFAOYSA-N	265.309	1.531	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)[C@H](COC)OC	830145577	AQFZFHLFDJYOBO-AWEZNQCLSA-N	281.352	1.792	10	20	CDCD	
Cc1cc(CNC(=O)CCC(N)=O)c(C)n1-c1ccccc1	913166741	HRENKPBMMZBEHR-UHFFFAOYSA-N	299.374	1.976	10	20	CDCD	
CC(C)[C@@H](CO)CNC(=O)NCCc1ccc(N)cc1	841957301	RLOTYENLCLMYRW-CYBMUJFWSA-N	279.384	1.375	10	20	CDCD	
Nc1ccc(Cc2nc([C@H]3CC(=O)N(C4CC4)C3)no2)cc1	843188682	CKMKARIAVWVONT-NSHDSACASA-N	298.346	1.721	10	20	CDCD	
CCCN1CC(=O)N[C@@H]1c1cc([N+](=O)[O-])ccc1O	840822018	JLOFAUQEMJBEJC-LBPRGKRZSA-N	265.269	1.141	10	20	CDCD	
CCCCS(=O)(=O)NC[C@H](N)c1ccc(N(C)C)cc1	842783714	BPJYVXNJUVLOCM-AWEZNQCLSA-N	299.440	1.472	10	20	CDCD	
COC[C@H]1C[C@@H](O)CN1Cc1ccc(N(C)C)cc1	844404830	VNZIZCLGBUJATC-HUUCEWRRSA-N	264.369	1.334	10	20	CDCD	
CN(C)c1ccc([C@H](N)CN[C@H]2CCCNC2)cc1	843125555	CBDYKXYHTDXCPM-DZGCQCFKSA-N	262.401	1.094	10	20	CDCD	
Cc1cc(O)c(CNC[C@@H]2CNCCCO2)cc1C	841085545	GROCKBJFIDBACH-AWEZNQCLSA-N	264.369	1.477	10	20	CDCD	
CC1=NO[C@@H](C(=O)N(C)Cc2ccc(N(C)C)cc2)C1	854323551	CAXHULZFNJGAIB-CQSZACIVSA-N	275.352	1.876	10	20	CDCD	
O=C(NCc1ccccc1O)c1cnc2nccnc2c1	759959537	UORZGYUDWGHXNX-UHFFFAOYSA-N	280.287	1.660	10	20	CDCD	
CCN1CCN(Cc2cc(Cl)cc(F)c2O)CC1=O	758015884	QGSBPIJRLXWHPH-UHFFFAOYSA-N	286.734	1.849	10	20	CDCD	
CC[C@H](NC(C)=O)C(=O)N[C@@H](C)c1cc(OC)ccc1O	866765043	QDPMGOJGOSMNLB-ZANVPECISA-N	294.351	1.493	10	20	CDCD	
CNC(=O)CN(C)Cc1cc(F)c(N(C)C)cc1F	862418368	OZTFILYKODKRAD-UHFFFAOYSA-N	271.311	1.209	10	20	CDCD	
Cc1cccc(CNCCCN2CCC[C@H]2C(N)=O)c1O	862466248	XTEWYUNATUPMAF-AWEZNQCLSA-N	291.395	1.130	10	20	CDCD	
CCN(CCN)Cc1ccc([N+](=O)[O-])c(OC)c1O	863644186	MRCZSSCZSFOEBE-UHFFFAOYSA-N	269.301	1.090	10	20	CDCD	
COC(=O)c1cc(C(=O)NCc2ccccc2O)ccn1	769362985	CROIKQJCDRCOGI-UHFFFAOYSA-N	286.287	1.504	10	20	CDCD	
CCOc1ccc(CNC[C@@]2(OC)CCOC2)c(O)c1	763479367	HZOUKAWWQUHROU-HNNXBMFYSA-N	281.352	1.686	10	20	CDCD	
CNC1(CNC(=O)c2c(F)ccc(O)c2O)CCC1	863921982	LJXRVYKOAJUIBJ-UHFFFAOYSA-N	268.288	1.109	10	20	CDCD	
CN(Cc1ccc(N2CCOCC2)cc1)C1CC(O)C1	761222760	MQAJRAZUOQTHNZ-UHFFFAOYSA-N	276.380	1.478	10	20	CDCD	
CCCNC(=O)COC(=O)/C=C\c1ccc(O)c(O)c1	772769677	PIDAJHBZPFMVRT-XQRVVYSFSA-N	279.292	1.180	10	20	CDCD	
CN(C)c1ccc(CN2C(=O)N[C@@H](CC(F)F)C2=O)cc1	777557619	LXLYEFOYEFVYQO-NSHDSACASA-N	297.305	1.828	10	20	CDCD	
CCN(C)c1ccc(CN2CCSC[C@@H]2C(N)=O)cc1	773810398	CBLBQYIGADFYMF-CQSZACIVSA-N	293.436	1.545	10	20	CDCD	
C[C@H](N[C@@H]1CCOC[C@H]1O)c1c(O)cccc1F	886643014	INVDQAJJKPNEDO-MKPLZMMCSA-N	255.289	1.332	10	20	CDCD	
Cc1cccc(O)c1CN1CC[C@H](C(=O)N(C)C)C1	877587747	HMZBKSPOSKAZRM-LBPRGKRZSA-N	262.353	1.611	10	20	CDCD	
CS[C@H]1CCN(C(=O)NCc2ccc(N)cc2)C1	1120676943	GWSTZPWESGVWQF-LBPRGKRZSA-N	265.382	1.916	10	20	CDCD	
COc1cc(C)cc(CNCCN2CCC2)c1O	894353543	AZQNSBWEQHSJCN-UHFFFAOYSA-N	250.342	1.505	10	20	CDCD	
COCC(=O)NCCC1=CCN(c2ccc(C)nn2)CC1	1089797651	DKZXTQAWHZVQMH-UHFFFAOYSA-N	290.367	1.074	10	20	CDCD	
CNC[C@@H](C)CN[C@H](C)c1cc(C(=O)OC)ccc1O	1326473276	IIUIGSHALRADPL-GHMZBOCLSA-N	280.368	1.685	10	20	CDCD	
C[C@]1(C(=O)NCc2ccc(O)c(O)c2)CCOC1	1320105620	DBMBNWAEFYHZNV-ZDUSSCGKSA-N	251.282	1.141	10	20	CDCD	
CCN(C)C(=O)[C@@H](C)NCc1ccc(N(C)C)cc1	188486920	JRGMZPUJSUUTPU-GFCCVEGCSA-N	263.385	1.709	10	20	CDCD	
O=C(O)CN1CCC(NCc2ccc3c(c2)CCO3)CC1	1329825072	FPSCBEBNXCZRJQ-UHFFFAOYSA-N	290.363	1.260	10	20	CDCD	
COc1ccc(O)c(CNCCN2CC[C@@H](C)C2)c1	777483349	NSIQVVWYWINJPG-GFCCVEGCSA-N	264.369	1.832	10	20	CDCD	
CCO[C@@H]1COCC[C@@H]1NC(=O)NCc1ccc(N)cc1	1335555107	BWLIYFBCCUXKDE-UONOGXRCSA-N	293.367	1.262	10	20	CDCD	
CCO[C@@H]1C[C@H](NC(=O)NCc2ccc(N)cc2)[C@H]1OC	1338596587	RRUHNTLKRQHQEE-BFHYXJOUSA-N	293.367	1.260	10	20	CDCD	
O=C(CCn1ccnn1)Nc1c(Cl)ccc2nonc12	1261140245	MJEYJFXWYLSAQC-UHFFFAOYSA-N	292.686	1.497	10	20	CDCD	
COc1ccc(O)c([C@@H](C)N[C@@H](C)C(=O)NC2CC2)c1	135727195	LLBYJTYLUMPRMZ-ZJUUUORDSA-N	278.352	1.719	10	20	CDCD	
CC[C@@H](C(=O)NCc1cccc(O)c1O)N1CCCC1=O	1348048008	RJQFBRKRLUYKQD-NSHDSACASA-N	292.335	1.115	10	20	CDCD	
C[C@H]1SCC[C@H]1NC(=O)NCc1ccc(N)cc1	1353438061	ITBKODODNQPWMQ-BXKDBHETSA-N	265.382	1.962	10	20	CDCD	
C[C@H]1COCC[C@@H]1C(=O)NCc1cccc(O)c1O	1352657229	AEQOCFAZRAVJOX-ONGXEEELSA-N	265.309	1.387	10	20	CDCD	
O=C(O)c1ccccc1C(=O)NCc1ccc(O)cc1O	1608944509	FMBILYFPQLQIBY-UHFFFAOYSA-N	287.271	1.726	10	20	CDCD	
O=C(O)c1cnc(SC[C@H]2CCC3(COC3)O2)s1	1608978820	UAHXFBWDEINJCA-SSDOTTSWSA-N	287.362	1.881	10	20	CDCD	
COC[C@@H](NCc1cc(C)c(C)cc1O)C(=O)O	1610249429	CIOVFADSZUMREF-LLVKDONJSA-N	253.298	1.198	10	20	CDCD	
COc1ccc(CN[C@@H](C(=O)O)C(C)(C)C)c(O)c1OC	1599571571	GLLLUTNXVGZMEM-ZDUSSCGKSA-N	297.351	1.998	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2CCC[C@@H]2C(=O)O)c1O	1594048557	SOWIGVJJTFRGSE-SNVBAGLBSA-N	296.279	1.358	10	20	CDCD	
C[C@@H]1C[C@H]1[C@@H](NCc1cc(F)cc(F)c1O)C(=O)O	1776602725	VEBHAGKTUUBUJN-KNBVPPQFSA-N	271.263	1.869	10	20	CDCD	
C[C@@H]1C[C@H]1[C@H](NCc1ccc(N(C)C)cc1)C(=O)O	1776602869	CIDAUGVTHXTWLC-HONMWMINSA-N	262.353	1.951	10	20	CDCD	
CN(Cc1c(O)cccc1Cl)C[C@H]1COCCO1	827140890	OBZPIMMMFBVMTJ-JTQLQIEISA-N	271.744	1.893	10	20	CDCD	
C[C@@H](N)[C@H]1CCCCN1C(=O)Cc1ccc(N)cc1	262783174	YWRQOKRLALYYCU-BXUZGUMPSA-N	261.369	1.540	10	20	CDCD	
Cc1cc(C)n(CC(=O)N(C)c2ccc(N)cc2)n1	37273819	JJXFLOFVKFGRKD-UHFFFAOYSA-N	258.325	1.745	10	20	CDCD	
CCOc1cccc(CN[C@@H]2CCCN(C)C2=O)c1O	704378177	WIQWIQWOZGPTME-GFCCVEGCSA-N	278.352	1.501	10	20	CDCD	
CC(C)CNC(=O)CNCc1cc(F)cc(F)c1O	708516075	DHKKXCTZEIZGJQ-UHFFFAOYSA-N	272.295	1.532	10	20	CDCD	
CC(C)NC(=O)[C@@H](C)N[C@H]1CCc2cccc(O)c21	381947877	ANNGUHRDPUEGJA-PWSUYJOCSA-N	262.353	1.882	10	20	CDCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2NCC1(CO)COC1	717617348	VNYDFSVTQQQZBQ-RYUDHWBXSA-N	277.364	1.847	10	20	CDCD	
O=C(CCNC(=O)C(F)(F)F)CSc1nccs1	865352644	QMACHVITABXHIP-UHFFFAOYSA-N	298.311	1.873	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2cncnc2C)c1	104901062	OROTXJORBZIZBI-SNVBAGLBSA-N	287.319	1.990	10	20	CDCD	
COCCCNC(=O)NCc1cc(OC)ccc1O	172064119	NFOIYSBBILUHAP-UHFFFAOYSA-N	268.313	1.237	10	20	CDCD	
CC(C)NC(=O)CN[C@@H](C)c1ccc(F)cc1O	62745918	CIQHYHBVIOPWDM-VIFPVBQESA-N	254.305	1.707	10	20	CDCD	
Cc1ccc(C(=O)N(C)CCN(C)C2CC2)c(O)c1O	186758351	AIYISVQDIALVQE-UHFFFAOYSA-N	278.352	1.572	10	20	CDCD	
COc1cc(O)c(CNCC(C)(C)OC)cc1OC	182488564	GYAXZDAMSFRKCQ-UHFFFAOYSA-N	269.341	1.924	10	20	CDCD	
CCOc1cccc(CN(C)[C@H]2CCNC2)c1O	71309214	LXVFGRWJMZRALE-LBPRGKRZSA-N	250.342	1.585	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@H]2CCn3cncc3C2)cc1	130410146	IMPLBPSMTVEODM-CQSZACIVSA-N	298.390	1.828	10	20	CDCD	
CCN(CC(=O)N(C)C)Cc1cc(C)ccc1O	133203057	YZQDZHZHXDFMGK-UHFFFAOYSA-N	250.342	1.611	10	20	CDCD	
COc1ccc(O)c([C@H](C)N[C@@H](C(=O)O)C2CC2)c1	86758290	WXRDYZRZRCOZQH-ISVAXAHUSA-N	265.309	1.915	10	20	CDCD	
CN1CCC[C@@H]2CN(C(=O)Cc3ccc(N)cc3)CC[C@H]21	227327102	QNLADLBAYLKDCT-GDBMZVCRSA-N	287.407	1.754	10	20	CDCD	
CCN(CC)C(=O)CN(C)Cc1cc2c(cc1O)OCO2	45909767	XUBCUWLWVAPFCR-UHFFFAOYSA-N	294.351	1.421	10	20	CDCD	
COC(=O)[C@H](NCc1cccc(Cl)c1O)[C@H](C)O	191962290	XQSZFWCLZNKIJH-OIBJUYFYSA-N	273.716	1.058	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C[C@H]1CNCCO1	91300635	NYZFHRATXKYGDB-HNNXBMFYSA-N	291.395	1.090	10	20	CDCD	
COC(=O)[C@H](O)C1CCN(Cc2cc(C)ccc2O)CC1	92015397	KFGALFHUAWPHFN-OAHLLOKOSA-N	293.363	1.447	10	20	CDCD	
CC(C)N1CC[C@H](N[C@@H]2CCc3cccc(O)c32)C1=O	297002642	SUPDBABVRGRJES-OLZOCXBDSA-N	274.364	1.978	10	20	CDCD	
C[C@H](O)CCN(C)C(=O)NCc1ccc(N(C)C)c(F)c1	269185417	CTLMPMTUVCQDIA-NSHDSACASA-N	297.374	1.804	10	20	CDCD	
Cc1ccncc1/C=C/C(=O)N1CCOc2c1c(C)nn2C	273002784	NHSLDWDMOQPNLI-SNAWJCMRSA-N	298.346	1.871	10	20	CDCD	
C[C@@H](NC(=O)NCc1ccccc1O)c1ncnn1C	276450276	DJZHCRDLPQSTHH-SECBINFHSA-N	275.312	1.081	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)C[C@](C)(O)C1CC1	270213821	LOUIWGXJBDSIDR-HNNXBMFYSA-N	263.337	1.902	10	20	CDCD	
COc1cc(O)c(CN2CCOC[C@@H](C)C2)cc1OC	371365379	DPEAHDNEGZMSSN-NSHDSACASA-N	281.352	1.878	10	20	CDCD	
Cc1cccc(CN2C[C@H](N3CCOCC3)C[C@H]2C)c1O	289537599	HWICPJDQFXMRIF-GDBMZVCRSA-N	290.407	1.996	10	20	CDCD	
COC(=O)C[C@H]1COCCN1Cc1cc(C)c(C)cc1O	377191263	FVJTXOAVCBOXOB-AWEZNQCLSA-N	293.363	1.773	10	20	CDCD	
O=C(Nc1cccc2c1CNC2=O)c1cccc(O)c1O	805243048	PKXGWBRCVJOSNP-UHFFFAOYSA-N	284.271	1.594	10	20	CDCD	
Cc1nnsc1CNCc1cc([N+](=O)[O-])ccc1O	291669334	GEVNOZKRZFSESY-UHFFFAOYSA-N	280.309	1.750	10	20	CDCD	
COc1ccc(/C=C2/SC(=S)NC2=O)cn1	474609737	UFIHKMIIFDAPMU-QPJJXVBHSA-N	252.320	1.579	10	20	CDCD	
Cn1cc(/C=C\C(=O)NCc2ccccc2O)cn1	706251252	HTDNQWHZHWPDDW-SREVYHEPSA-N	257.293	1.455	10	20	CDCD	
CNC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1O	808478876	CKBLOSGVIRJUGY-UHFFFAOYSA-N	277.107	1.061	10	20	CDCD	
Cc1cnc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)o1	291750185	LMNIGDYBNZNBQR-MRVPVSSYSA-N	276.292	1.755	10	20	CDCD	
Oc1ccc(F)cc1CN[C@H]1CCc2nnnn2CC1	817418982	NHULMPAIKBGWKQ-NSHDSACASA-N	277.303	1.013	10	20	CDCD	
C[C@@H](NC(=O)c1cccc(O)c1O)[C@H](O)c1ccccc1	811541335	YLDSLMCSOXOZRW-YGRLFVJLSA-N	287.315	1.950	10	20	CDCD	
CC[C@@H](NCCN1CCNCC1)c1ccccc1O	817944518	FMGVNNHBIJSDCU-CQSZACIVSA-N	263.385	1.338	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@](C)(OC)C2CC2)c1	812509998	UUBFOPHKESSRTN-OAHLLOKOSA-N	279.336	1.832	10	20	CDCD	
O=C(NCc1cc2c(nc1O)CCC2)c1cc(O)cs1	733364354	RJDQUBMCGSXIBX-UHFFFAOYSA-N	290.344	1.973	10	20	CDCD	
CN(C)C(=O)[C@H]1CCN(Cc2ccc(N(C)C)cc2)C1	839636669	TZNSCCVKUTWYLY-AWEZNQCLSA-N	275.396	1.663	10	20	CDCD	
C[C@H]1CC[C@H](CNC(=O)NCc2ccccc2O)O1	838059501	BOARIBORRQXOSW-CMPLNLGQSA-N	264.325	1.759	10	20	CDCD	
CCC(C)(C)OCC(=O)NCc1ccc(O)c(O)c1	837485875	RJHGFVYEAJTLFQ-UHFFFAOYSA-N	267.325	1.919	10	20	CDCD	
CCC(=O)N[C@H](C)C(=O)N(C)Cc1ccc(N(C)C)cc1	915260834	BHRFTCYORQRUBG-GFCCVEGCSA-N	291.395	1.626	10	20	CDCD	
COc1cccc([C@H](C)NCC2(CC(N)=O)CC2)c1O	846173478	SHLIMEDGKZQXNW-JTQLQIEISA-N	278.352	1.707	10	20	CDCD	
CC(C)COCCCNC(=O)C(=O)Nc1ccc(N)cc1	841003324	RUDNNEXHOCTNSX-UHFFFAOYSA-N	293.367	1.386	10	20	CDCD	
CN1C[C@H](C(=O)NCc2cc(Cl)ccc2O)CC1=O	846473589	UNOUEGSATPKXTH-SECBINFHSA-N	282.727	1.140	10	20	CDCD	
COC[C@@H]1CCCCN1C(=O)C(=O)Nc1ccc(N)cc1	841139077	AMULETGVVINXRA-ZDUSSCGKSA-N	291.351	1.235	10	20	CDCD	
CN[C@H]1CCN(Cc2cc(OC)c(OC)cc2O)C1	843044825	KPAQOUDCTPTKGD-NSHDSACASA-N	266.341	1.203	10	20	CDCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)OCC2CCC2)c1	744855175	SFQQNJQMOSFVDI-UHFFFAOYSA-N	299.348	1.721	10	20	CDCD	
CN(C)CCCNC(=O)NCc1cc(Cl)ccc1O	844843425	AXMAOAJNDVPTIB-UHFFFAOYSA-N	285.775	1.797	10	20	CDCD	
Nc1ccc(CC(=O)N2CCOC3(CCOCC3)C2)cc1	844204656	TXSAXWKQFPGYIZ-UHFFFAOYSA-N	290.363	1.219	10	20	CDCD	
CN(C)c1ccc(CNC2CCNCC2)cc1F	841026851	SPRHIGXEWQVAIK-UHFFFAOYSA-N	251.349	1.733	10	20	CDCD	
COc1ccc(O)c(CN[C@@H]2CCCNCC2)c1	841058833	VYXHWHCVNBVOTN-GFCCVEGCSA-N	250.342	1.633	10	20	CDCD	
CCOc1ccc(CNCCO[C@@H]2CCOC2)c(O)c1	922939286	NQBUHAOWTNOALC-CQSZACIVSA-N	281.352	1.686	10	20	CDCD	
Cc1ccc([C@H](C)NC[C@@H](C)S(C)(=O)=O)c(O)c1	697580933	XUICKBNNTCHNMZ-MNOVXSKESA-N	271.382	1.784	10	20	CDCD	
C[C@@H](NC/C=C\CO)c1ccc(N2CCOCC2)c(F)c1	850509404	PPFATYCEVFCJDJ-XQJDBVBESA-N	294.370	1.861	10	20	CDCD	
C[C@H](N[C@H]1C[C@H](O)C1)c1cc([N+](=O)[O-])ccc1O	850577753	CBHIQTHRTSRPKU-NRPADANISA-N	252.270	1.474	10	20	CDCD	
C[C@@H](NCCC(=O)N(C)C)c1cc(F)cc(F)c1O	756517885	PVXRLHMADLBXCJ-MRVPVSSYSA-N	272.295	1.799	10	20	CDCD	
Cc1cc(CCC(=O)NCc2ccc(O)c(O)c2)no1	934943354	IAIMIKJSFLPSDH-UHFFFAOYSA-N	276.292	1.643	10	20	CDCD	
CC(C)[C@H](NC=O)C(=O)NCc1cc(Cl)ccc1O	862130932	ODIRWMWFEKKQML-LBPRGKRZSA-N	284.743	1.432	10	20	CDCD	
COc1cc(CN[C@@H]2COC[C@@H]2O)c(O)c(C(C)(C)C)c1	865666460	PDURVFWIKVBDDH-KGLIPLIRSA-N	295.379	1.548	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)c1cnn2ncccc12	765983234	MOXMONFGSDWOOT-UHFFFAOYSA-N	282.303	1.707	10	20	CDCD	
CC[C@]1(O)CCN(Cc2cc(OC)c(OC)cc2O)C1	779215567	CIGFKFKRVNQOOU-HNNXBMFYSA-N	281.352	1.756	10	20	CDCD	
COC1(CO)CCN(Cc2cc3c(cc2O)OCO3)CC1	775204981	UWXVWUHTCYFGDC-UHFFFAOYSA-N	295.335	1.094	10	20	CDCD	
Cc1cccc(O)c1CN[C@@H]1CC(=O)N(C2CC2)C1	877158829	YZWZFMSYJJWGMU-LLVKDONJSA-N	260.337	1.554	10	20	CDCD	
COc1cc(CN2C[C@H]3COC[C@H]3C2)c(O)cc1C	872786299	XZNREFAKAJILTF-BETUJISGSA-N	263.337	1.787	10	20	CDCD	
Cc1ccc(CNC[C@@](C)(O)C(=O)OC(C)(C)C)c(O)c1	877368395	HUXQQDRXSXVSSJ-MRXNPFEDSA-N	295.379	1.883	10	20	CDCD	
COCCN(Cc1ccc(C)cc1O)[C@H](C)C(N)=O	876695857	JIQUAFKEAOKOEW-LLVKDONJSA-N	266.341	1.023	10	20	CDCD	
C[C@@H](O)CCN(C)Cc1ccc(N2CCN(C)CC2)cc1	775701022	ALVMDNBQMWRJBN-OAHLLOKOSA-N	291.439	1.641	10	20	CDCD	
CCN(C)c1ccc(Cn2cc([C@H](C)N)nn2)cc1	881313287	HDAYRDZIBLBMPK-NSHDSACASA-N	259.357	1.802	10	20	CDCD	
COc1cccc(O)c1CN[C@H](CO)CC(C)C	882916558	RHBZTPRDNCLRCB-NSHDSACASA-N	253.342	1.897	10	20	CDCD	
C[C@@H]1OCC[C@]12CN(C(=O)c1cc(O)cs1)C[C@@H](C)O2	791071358	YVAVZHYMICNTDW-BFVZDQMLSA-N	297.376	1.862	10	20	CDCD	
COc1ccc(CNC(=O)c2cnns2)c(O)c1	794380232	WXLNNOYUSUOFQL-UHFFFAOYSA-N	265.294	1.182	10	20	CDCD	
CC[C@H]1CCCN1C(=O)C(=O)NCCc1ccc(N)cc1	1325747390	WJCGQILPOAISKI-AWEZNQCLSA-N	289.379	1.329	10	20	CDCD	
C[C@H](N[C@H]1CCCCNC1=O)c1ccc(F)cc1O	62746650	AUHOKNXOYCVGFZ-CABZTGNLSA-N	266.316	1.851	10	20	CDCD	
Cc1ncccc1CC(=O)NCc1ccc(O)c(O)c1	1325894177	YFZCIJZSHDNJTO-UHFFFAOYSA-N	272.304	1.660	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@H]2CCCC[C@@H]2N)cc1	85370912	UDHVCLBWYXJLGW-CABCVRRESA-N	275.396	1.886	10	20	CDCD	
COc1cccc(O)c1CNCC1([S@](C)=O)CC1	799348713	LOUGFDZNAYJIRG-SFHVURJKSA-N	269.366	1.402	10	20	CDCD	
COC(=O)[C@H](NCc1ccc(N(C)C)cc1)C1CC1	789573783	OQQFIMLGMUGUTN-CQSZACIVSA-N	262.353	1.794	10	20	CDCD	
CN(C(=O)Cn1cc(C2CC2)nn1)c1ccc(N)cc1	1262009338	SOTTUVUENGHSOW-UHFFFAOYSA-N	271.324	1.401	10	20	CDCD	
Nc1ccc(CNC(=O)NC[C@@H](O)C2CCC2)cc1	1353539605	NYBRHTXJMZCLTO-CYBMUJFWSA-N	263.341	1.229	10	20	CDCD	
O=C(CSC(F)(F)F)NCc1cccc(O)c1O	1350300624	VRFGSTOOCDIDRC-UHFFFAOYSA-N	281.255	1.967	10	20	CDCD	
C[C@@H]1CC[C@H](C(=O)O)N1C(=O)c1cc(O)cs1	1605005120	XNQROJJTBIYWQV-HTRCEHHLSA-N	255.295	1.531	10	20	CDCD	
CCCCN(Cc1ccccc1O)C(=O)[C@@H](OC)C(=O)O	1603647356	IIZADRSDKPMCOD-CYBMUJFWSA-N	295.335	1.621	10	20	CDCD	
COCCN(C)CCN[C@H](C)c1cc(C(=O)O)ccc1O	1610257795	GNLZDTMQMGYQDB-LLVKDONJSA-N	296.367	1.319	10	20	CDCD	
COC(=O)c1ccc(CNCCc2ccc(N)cc2)n1C	1578867927	SASPOQKZWYRSER-UHFFFAOYSA-N	287.363	1.726	10	20	CDCD	
Oc1cc2c(cc1CNC[C@@H]1CC[C@H](O)C1)OCO2	188797462	OTNZEVLVQHBULE-KOLCDFICSA-N	265.309	1.372	10	20	CDCD	
CC(C)(C)C(=O)NCC(=O)NCc1ccc(N)cc1	701412966	QYSSEXLOSIXSFM-UHFFFAOYSA-N	263.341	1.047	10	20	CDCD	
CCCOc1ccc(CN(C)CC(=O)OC)c(O)c1	179396104	NNTOGQKUUCRTQU-UHFFFAOYSA-N	267.325	1.786	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1ccn(C)c(=O)c1	28495661	LCWJYYKMPDXPAE-UHFFFAOYSA-N	299.374	1.724	10	20	CDCD	
CC(C)(CCS(C)(=O)=O)NCc1ccc2c(c1)CCO2	174637042	UELWAAQETDHKAJ-UHFFFAOYSA-N	297.420	1.924	10	20	CDCD	
CC1CCN(CC(=O)NCc2ccc(O)c(O)c2)CC1	182528811	QOUBVAPUQHJHQK-UHFFFAOYSA-N	278.352	1.446	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCCO1	183463418	FWTUDXPQQPFREZ-NOZJJQNGSA-N	265.309	1.324	10	20	CDCD	
CO[C@@H]1CCCN(C(=O)c2ccc(C)c(O)c2O)C1	182323821	UWGNOGOOGWMEFB-SNVBAGLBSA-N	265.309	1.657	10	20	CDCD	
COc1ccc(O)c(CN(C)CCCC(=O)O)c1	86802384	AQMFAJFUCLLVNR-UHFFFAOYSA-N	253.298	1.697	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)CCNC(=O)C(C)(C)C	136951421	XIRZCQFVKDKGOI-UHFFFAOYSA-N	292.379	1.903	10	20	CDCD	
Cc1ccc(O)c(CNCC(=O)NCC(C)C)c1	134653855	NRSCEYDNBKHTIH-UHFFFAOYSA-N	250.342	1.562	10	20	CDCD	
O=S(=O)(Nc1ccc(O)cc1F)c1cn[nH]c1	85203930	CEMMJWDVNJOHFX-UHFFFAOYSA-N	257.246	1.055	10	20	CDCD	
COc1cccc(CN2CCC[C@]23CCOC3=O)c1O	190030453	WVUBIIBSARZVTC-OAHLLOKOSA-N	277.320	1.682	10	20	CDCD	
CC(C)C[C@H](O)CNC(=O)c1cccc(O)c1O	230004067	WTWCRUOHYPXZPY-VIFPVBQESA-N	253.298	1.235	10	20	CDCD	
CCC[C@@H]1C(=O)NCCN1Cc1cc(OCC)ccc1O	93771785	PNHWJOFOIHFRNX-CQSZACIVSA-N	292.379	1.891	10	20	CDCD	
CC(C)OC(=O)[C@@H](C)CNC(=O)Cc1ccc(N)cc1	236779398	PSVCBVXGNBNGKZ-NSHDSACASA-N	278.352	1.515	10	20	CDCD	
Cc1c(CNC(=O)c2ccc(O)nn2)n(C)c2ccccc12	352126348	SCGHXGMSRRCRHH-UHFFFAOYSA-N	296.330	1.912	10	20	CDCD	
COC(=O)[C@@H]1C[C@@H]1C(=O)NCc1ccc(N(C)C)c(F)c1	263896559	PMOYBYFPOFIPKS-WDEREUQCSA-N	294.326	1.317	10	20	CDCD	
COc1cccc(CN2CC[C@H](C)[S@@](=O)CC2)c1O	277289639	AEDLXYYZYZROQR-WLRWDXFRSA-N	283.393	1.744	10	20	CDCD	
Cc1cc(CC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)no1	274891838	CYMPFSGBIOKMJQ-SECBINFHSA-N	290.319	1.684	10	20	CDCD	
Cc1ccc(C(=O)N[C@H]2CCN3CCC[C@@H]3C2)c(O)c1O	378555492	DFKXDSCPCCZQRU-NWDGAFQWSA-N	290.363	1.763	10	20	CDCD	
CC(C)(C)[C@@H](NC(N)=O)C(=O)NCc1ccccc1O	283416161	LXPHMCOLUSALKT-NSHDSACASA-N	279.340	1.091	10	20	CDCD	
CC[C@@H](CNC(=O)NCc1ccc(N(C)C)cc1)OC	290783109	NFXJLXPOZIAYMH-AWEZNQCLSA-N	279.384	1.977	10	20	CDCD	
CCOC(=O)c1cc(NS(=O)(=O)C2CC2)ccc1O	295216342	QFONSDUOAAAQOH-UHFFFAOYSA-N	285.321	1.473	10	20	CDCD	
CCOCc1nc([C@H](C)NC(=O)c2cc(O)cs2)no1	812315156	QGCAMZMTXVSZEN-ZETCQYMHSA-N	297.336	1.864	10	20	CDCD	
CN1CCCc2cc(CNC(=O)c3ccn(C)n3)ccc21	727309813	OOEGCKJGTXXHAL-UHFFFAOYSA-N	284.363	1.733	10	20	CDCD	
O=C1O[C@H]2C[C@H]1N(Cc1cc(Cl)cc(F)c1O)C2	824630944	RGPBXODIINSEDQ-WCBMZHEXSA-N	271.675	1.684	10	20	CDCD	
C[C@@H]1C[C@@H](NC(=O)N(C)Cc2ccccc2O)CO1	828419577	FPRBBZPVKDDRIO-ZYHUDNBSSA-N	264.325	1.711	10	20	CDCD	
COc1cc(O)c(CN(C)[C@H](C)C(=O)O)cc1OC	820775164	QSEFBFSGELXVPR-MRVPVSSYSA-N	269.297	1.314	10	20	CDCD	
CCOCCN(CC(=O)OCC)Cc1ccccc1O	823576471	PCUBLVVHGLENKG-UHFFFAOYSA-N	281.352	1.794	10	20	CDCD	
CC(=O)NCC(C)(C)C(=O)N[C@H](C)c1ccccc1O	827952397	QWCQPARJNICQPP-SNVBAGLBSA-N	278.352	1.732	10	20	CDCD	
C[C@@H](NC[C@@H]1CCCN1CCCO)c1ccccc1O	834851297	WPRVBAMOLFVRGZ-KGLIPLIRSA-N	278.396	1.890	10	20	CDCD	
CC(C)N(CCS(C)(=O)=O)C(=O)c1cc(O)cs1	831098779	VEUYEPCXBZZBRT-UHFFFAOYSA-N	291.394	1.349	10	20	CDCD	
CCOc1ccc(O)c(CN2CC[C@](F)(C(=O)O)C2)c1	833662683	KBMBDCHUDIAXBA-CQSZACIVSA-N	283.299	1.790	10	20	CDCD	
Cc1nn(C)cc1[C@H](C)NC(=O)c1cc(O)cs1	732285207	WRYTZYZVUGNXNR-ZETCQYMHSA-N	265.338	1.987	10	20	CDCD	
COC(=O)N1CCC(NC(=O)c2cc(O)cs2)CC1	732277304	DHRTWGCGJLASLV-UHFFFAOYSA-N	284.337	1.414	10	20	CDCD	
CSC[C@H](C)C(=O)NC[C@H](N)c1ccc(N(C)C)cc1	832274585	WBCFGSBHODQTTH-FZMZJTMJSA-N	295.452	1.868	10	20	CDCD	
COc1ccc(CN[C@]2(C(=O)O)CCOC2)cc1C	841801175	OSTYNANXBWPODG-CQSZACIVSA-N	265.309	1.337	10	20	CDCD	
COc1cc(O)c(CN2CCC(N)CC2)cc1OC	843047657	ULRQXZVVQSNAFJ-UHFFFAOYSA-N	266.341	1.333	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CC[C@H]([C@@H](C)N)C2)c1O	843364496	KNZFKTGZVKDVHZ-KOLCDFICSA-N	280.343	1.903	10	20	CDCD	
CCC[C@H](O)[C@H](CO)NCc1c(O)ccc(Cl)c1F	842227159	RJRDEHXYQDBODU-JQWIXIFHSA-N	291.750	1.796	10	20	CDCD	
CCN1C[C@@H](CNCc2cccc(C)c2O)CC1=O	846098161	ZVLAAHLHAKROFM-GFCCVEGCSA-N	262.353	1.659	10	20	CDCD	
COc1ccc(O)c(CN[C@@H](C)[C@@H]2CCCNC2)c1	841034866	XUQAJXLHJCXSNQ-NWDGAFQWSA-N	264.369	1.879	10	20	CDCD	
COc1cc(O)c(CN(C)C2CCNCC2)cc1OC	843046136	OGNQKUCBBMYUST-UHFFFAOYSA-N	280.368	1.593	10	20	CDCD	
COc1cc(O)c(CN2CC[C@H](N)[C@@H](C)C2)cc1OC	843050992	CXMNJHCDDMFUPZ-JQWIXIFHSA-N	280.368	1.579	10	20	CDCD	
CCOc1ccc(O)c(CN(C)C2CCNCC2)c1	843046694	ZHOABOXLOYNCRN-UHFFFAOYSA-N	264.369	1.975	10	20	CDCD	
C[C@@H](CC(N)=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	749130009	OPGJGFBDEJZKKJ-STQMWFEESA-N	291.395	1.438	10	20	CDCD	
COC(=O)COc1ccc(N(C)C[C@@H]2CCC(=O)O2)cc1	851922494	BCMWCADRCVDQSV-ZDUSSCGKSA-N	293.319	1.380	10	20	CDCD	
CCN1CCN(Cc2cc(OC)c(C)cc2O)CC1=O	758264208	HBQDVBCJVBVLLW-UHFFFAOYSA-N	278.352	1.373	10	20	CDCD	
C[C@@H](N[C@H]1C[C@@H](CO)C1)c1cc([N+](=O)[O-])ccc1O	866416321	SAZZWWJAOKKKBA-BBBLOLIVSA-N	266.297	1.722	10	20	CDCD	
CCN1CC(=O)N[C@@H]1c1cc(F)c(N(C)C)cc1F	864387428	PVQHDEWHKHEYMM-ZDUSSCGKSA-N	269.295	1.481	10	20	CDCD	
C[C@@H]1C(=O)N(Cc2ccc3c(c2)CCCN3C)C(=O)N1C	761182041	WGDPTKPJEGTGGH-LLVKDONJSA-N	287.363	1.852	10	20	CDCD	
CC(C)Nc1ccccc1NCCN1CCCS1(=O)=O	871846171	ULFYJENVXXFXHR-UHFFFAOYSA-N	297.424	1.954	10	20	CDCD	
Cc1ccc(CNCCS(=O)(=O)NC(C)C)c(O)c1	877021542	UUHOZCACOGANNZ-UHFFFAOYSA-N	286.397	1.118	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N1CCC[C@@H](CCO)C1	779534471	GIDFXAXNXOUNPW-AGLBCWCQSA-N	291.347	1.732	10	20	CDCD	
COc1ccc(CNC(=O)c2c(F)ccc(O)c2O)cn1	789949535	KJESWTKEEHDZBI-UHFFFAOYSA-N	292.266	1.571	10	20	CDCD	
CCCN(C(=O)c1cc(O)cs1)[C@@H](C)C(=O)OC	888610665	KWVXNMGFVHVLGO-QMMMGPOBSA-N	271.338	1.867	10	20	CDCD	
COC(=O)[C@](C)(NC(=O)c1ccc(C)c(O)c1O)C1CC1	780945935	SMYSBTTYWPMZDJ-OAHLLOKOSA-N	293.319	1.478	10	20	CDCD	
CCCN(C(=O)c1ccc(C)c(O)c1O)[C@H](C)C(=O)OC	888612851	HFKQXAUOWZUNJF-SNVBAGLBSA-N	295.335	1.820	10	20	CDCD	
CCN(C)c1ccc(Cn2cc(C(C)=O)nn2)cc1	881316114	UVCYWGNFXXVPIN-UHFFFAOYSA-N	258.325	1.985	10	20	CDCD	
CCc1cccc(CN2C[C@@H](O)C[C@@]2(C)CO)c1O	895326514	YOROORSXBULVHD-ZFWWWQNUSA-N	265.353	1.272	10	20	CDCD	
COc1cc(C)cc(CNCCC2(C)OCCO2)c1O	894462412	XSVYRAVHGUYDAH-UHFFFAOYSA-N	281.352	1.952	10	20	CDCD	
COc1ccc(CNC(=O)[C@]2(C)CCCOC2)c(O)c1	794377226	PGELBLIYTKJYEZ-OAHLLOKOSA-N	279.336	1.834	10	20	CDCD	
COc1ccc(CNC(=O)NCC(C)C)c(O)c1	792761723	GQCKPXAMRIRJLO-UHFFFAOYSA-N	252.314	1.856	10	20	CDCD	
CC[C@@H](NC[C@@H]1COCCO1)c1ccc(F)cc1O	796695558	QDWMOGLHBMWWDF-DGCLKSJQSA-N	269.316	1.987	10	20	CDCD	
CC[C@@H](C(=O)O)N1CCOc2cc(N(C)C)ccc21	1594775364	OFDAGKQXTGILHM-NSHDSACASA-N	264.325	1.815	10	20	CDCD	
COc1cccc(CNC(=O)[C@H](C)n2ccnc2)c1O	1338652169	YOPBQODQTYCXGT-JTQLQIEISA-N	275.308	1.475	10	20	CDCD	
CNC(=O)[C@@H](C)CN(C)Cc1c(O)cccc1OC	769566773	HRXKWZCONPCYNH-JTQLQIEISA-N	266.341	1.215	10	20	CDCD	
C[C@H](NCc1nnc2n1CCOC2)c1c(O)cccc1F	1331229585	LTYVEKWSMJYGAB-VIFPVBQESA-N	292.314	1.504	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCC(Cc2nn[nH]n2)CC1	1347254329	RZKLCLQGWADBQO-UHFFFAOYSA-N	293.352	1.062	10	20	CDCD	
CC[C@@H](CO)N(C)C(=O)NCc1ccc(N)cc1	1346739379	QFKVVQDRBWJDKW-LBPRGKRZSA-N	251.330	1.181	10	20	CDCD	
CCN(CC(OC)OC)C(=O)c1ccc(C)c(O)c1O	1528853919	AUAHASHSZKIHLR-UHFFFAOYSA-N	283.324	1.487	10	20	CDCD	
O=C(O)c1coc(C(=O)NCc2cc(O)ccc2O)c1	1602549510	PNVWWDMHURBPPX-UHFFFAOYSA-N	277.232	1.319	10	20	CDCD	
COC[C@@H](NCc1cccc(Cl)c1O)C(=O)O	1606815868	BLBNBRYDXDUFPY-SECBINFHSA-N	259.689	1.235	10	20	CDCD	
COCC[C@@H](CO)N[C@@H](C)c1cc(C(=O)O)ccc1O	1610252855	IIBNWKMUDWAFCZ-ONGXEEELSA-N	283.324	1.138	10	20	CDCD	
O=C(O)c1cc(NC(=O)c2c(F)ccc(O)c2O)ccn1	1595209820	KKEQFLLMSKHNGS-UHFFFAOYSA-N	292.222	1.582	10	20	CDCD	
CN(C)c1ccc(CNc2ccc(C(=O)O)nn2)cc1F	1598320859	XAWBCOBCAXAYAI-UHFFFAOYSA-N	290.298	1.992	10	20	CDCD	
C[C@@H]1C[C@@H](C(=O)NCCc2ccc(N)cc2)CCO1	818545157	MCPOOWUOZOTRST-YPMHNXCESA-N	262.353	1.743	10	20	CDCD	
Nc1ccc(NC(=O)NCCN2CC=CCC2)cc1	841297943	VXNBKNNYBPEIGF-UHFFFAOYSA-N	260.341	1.652	10	20	CDCD	
COC[C@@]1(C(=O)O)CCN(Cc2c(C)cccc2O)C1	1593967838	XXPLKPMUMRRYBC-OAHLLOKOSA-N	279.336	1.624	10	20	CDCD	
COc1ccc(CNC[C@](C)(O)CN(C)C)cc1C	228722752	CWTJIZKNASKZOP-HNNXBMFYSA-N	266.385	1.406	10	20	CDCD	
COc1cc(Cl)cc(CN2CCN(C)C[C@H]2CN)c1O	252841630	DIJZQZYJPLADPQ-GFCCVEGCSA-N	299.802	1.129	10	20	CDCD	
COc1ccc(O)c([C@H](C)NCCCS(C)(=O)=O)c1	38047147	CRZZDOOGAPTBOS-JTQLQIEISA-N	287.381	1.486	10	20	CDCD	
CC(=O)CCC(=O)NCCc1ccc(O)c(O)c1	298747944	ALSUWFLPNBMXPZ-UHFFFAOYSA-N	251.282	1.126	10	20	CDCD	
CC(C)N1CC[C@@H](NCc2cc(F)cc(F)c2O)C1=O	708409344	MNFMBSJSRZWPTJ-GFCCVEGCSA-N	284.306	1.769	10	20	CDCD	
CO[C@@H]1COC[C@H]1N[C@@H](C)c1ccc(F)cc1O	842908793	DTFGUXGWQDZLED-RLCGTCKNSA-N	255.289	1.596	10	20	CDCD	
COc1cccc(CNC(=O)c2cnns2)c1O	105651271	KQGGJVYYSGCFMV-UHFFFAOYSA-N	265.294	1.182	10	20	CDCD	
COCC[C@@H](CO)NCc1c(O)cccc1Cl	302295168	LXTJNDMNHKSZQF-VIFPVBQESA-N	259.733	1.533	10	20	CDCD	
COc1ccc(N2CCCN(CCO)CC2)cc1	363603955	NVZAGMXIKPKYPN-UHFFFAOYSA-N	250.342	1.200	10	20	CDCD	
CCCCN(C)S(=O)(=O)NCc1ccc(N)cc1	36288678	UEFRTHHBDOGWDY-UHFFFAOYSA-N	271.386	1.335	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)c1cncc(F)c1	182528763	NPEKSZQROURIGJ-UHFFFAOYSA-N	262.240	1.562	10	20	CDCD	
C[C@@H](NC[C@]1(O)CCOC1)c1cc(Cl)ccc1O	186177501	QZFPMJNHPZFZAQ-NOZJJQNGSA-N	271.744	1.848	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)CCC(=O)O	515352704	MBRGVPUTUVZYKS-UHFFFAOYSA-N	278.308	1.343	10	20	CDCD	
CCN(CC)c1ccc(CN[C@@H]2CC(=O)N(C)C2)cc1F	265804613	UKSJICNJPVKWDL-CYBMUJFWSA-N	293.386	1.992	10	20	CDCD	
C[C@@H](CO[C@@H]1CCOC1)NC(=O)NCc1ccccc1O	267875812	DGSAAVIFHUVITC-WCQYABFASA-N	294.351	1.385	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@@H]1CCc2cn[nH]c2C1	266475546	BLZHTPKCKFSHTE-LLVKDONJSA-N	285.347	1.879	10	20	CDCD	
COc1cncc(C(=O)NCc2ccc(N(C)C)cc2)n1	276709987	XTFIHTWNDFGTTJ-UHFFFAOYSA-N	286.335	1.481	10	20	CDCD	
CSC[C@@](C)(O)CNC(=O)c1ccc(C)c(O)c1O	271296308	RJCFAOSBEUCULX-ZDUSSCGKSA-N	285.365	1.250	10	20	CDCD	
CN1CCCc2cc(CN[C@@H]3CCNC(=O)CC3)ccc21	396716560	RMRIBNACHUQEQI-HNNXBMFYSA-N	287.407	1.827	10	20	CDCD	
Oc1ccc(F)cc1CN1CCC(n2cnnc2O)CC1	813328862	VDDVIXJNHVGEJK-UHFFFAOYSA-N	292.314	1.666	10	20	CDCD	
COCC1(NCc2cc([N+](=O)[O-])ccc2O)CCOCC1	814301741	COYOOYOEJJOIFF-UHFFFAOYSA-N	296.323	1.586	10	20	CDCD	
C[C@H](NC[C@H](N)c1ccc(N(C)C)cc1)[C@H]1CCCO1	817943316	UHBHWXOGBUISCX-VBNZEHGJSA-N	277.412	1.910	10	20	CDCD	
CN1CCCc2cc(CNC(=O)C3(N(C)C)CC3)ccc21	824676958	YCPAIWSXLVHVHK-UHFFFAOYSA-N	287.407	1.779	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@]2(C)CCNC2)c1	828666196	BOVFGMVJAZILBK-ZUZCIYMTSA-N	278.352	1.578	10	20	CDCD	
Cc1ccc(C(=O)N[C@H](CC(C)C)C(=O)O)c(O)c1O	821064188	ZGCZNTAMCSUAAF-SNVBAGLBSA-N	281.308	1.635	10	20	CDCD	
C[C@@]1(CNC(=O)/C=C\c2ccc(O)c(O)c2)CCCO1	588407810	YNPFHRDVMKYEPP-VOKGJARPSA-N	277.320	1.796	10	20	CDCD	
CCOc1ccc(N(C)CCN2CCOCC2)cc1	739922585	MZGKBTCAZFKSBN-UHFFFAOYSA-N	264.369	1.854	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1CCO[C@H](C(=O)O)C1	901491545	UEQZDVGRCWZGSF-AWEZNQCLSA-N	278.352	1.346	10	20	CDCD	
Cn1cncc1[C@@H]1C[C@H]1C(=O)Nc1ccc(N)cc1	911659883	GPXVOWSANSXNJA-VXGBXAGGSA-N	256.309	1.745	10	20	CDCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCCN	841922180	COUJBSDWZDVWML-UHFFFAOYSA-N	278.400	1.631	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N2CCC[C@@H]2CN)cc1	841654804	PQLXOOPEUFAIIS-CQSZACIVSA-N	276.384	1.385	10	20	CDCD	
CNC(=O)[C@@H]1CCC[C@@H]1N[C@H](C)c1cccc(OC)c1O	846158293	WKNHJPMYWTZJKU-RTXFEEFZSA-N	292.379	1.966	10	20	CDCD	
COC(=O)[C@@H]1CN(C(=O)Nc2ccc(N)cc2)C[C@H](C)O1	846309388	DKORXJJEAIWHFO-CABZTGNLSA-N	293.323	1.063	10	20	CDCD	
COc1cc(O)c(CN2CCC[C@@H]([C@@H](C)N)C2)cc1OC	843052042	OYTSXZRJJGUCOF-VXGBXAGGSA-N	294.395	1.969	10	20	CDCD	
COc1cccc([C@H](C)N[C@@H](C)c2nncn2C)c1O	846148335	ZRESAWRHUPLLIJ-UWVGGRQHSA-N	276.340	1.941	10	20	CDCD	
C[C@@H]1CN(Cc2ccc(N3CCOCC3)c(F)c2)C[C@H]1N	843120832	WHXSPRPFQFADJY-IUODEOHRSA-N	293.386	1.441	10	20	CDCD	
CN(C)c1ccc([C@@H](N)CNC(=O)CCNC2CC2)cc1	848394091	MWGIGHHQZCVKRB-HNNXBMFYSA-N	290.411	1.011	10	20	CDCD	
COc1cccc(O)c1CNCC[C@@H]1CCNC1	841036909	QGWFZOLUCMGYGR-NSHDSACASA-N	250.342	1.490	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)NCCN2CCCC2)c1	756355137	JMMFGQGFPGZSEA-LBPRGKRZSA-N	292.379	1.925	10	20	CDCD	
Oc1cccc2c1[C@H](NCCN1CC[C@@H](O)C1)CC2	858546880	AWPPLYQJYSUFIW-CHWSQXEVSA-N	262.353	1.036	10	20	CDCD	
CCc1nnc([C@H](C)OC(=O)c2cccc(O)c2O)o1	758558205	FMHGNERNTSHHPX-ZETCQYMHSA-N	278.264	1.961	10	20	CDCD	
Cc1ccc(C(=O)N2C[C@H](C)[C@](C)(CO)C2)c(O)c1O	856252689	ZUSNCHJZXJEYPG-BONVTDFDSA-N	279.336	1.497	10	20	CDCD	
COc1cc(N2CC(CN(C)C)C2)c([N+](=O)[O-])cc1OC	853651556	FQUFCWGDTIIYPO-UHFFFAOYSA-N	295.339	1.610	10	20	CDCD	
C[C@H]1CCCN1S(=O)(=O)N[C@H](C)c1ccccc1O	867834361	GTRBTAGTIWZJKJ-WDEREUQCSA-N	284.381	1.772	10	20	CDCD	
Cc1ccc(C(=O)NC[C@H]2CCCCN(C)C2)c(O)c1O	862793452	PLZRWXLFVDFLFM-GFCCVEGCSA-N	292.379	1.868	10	20	CDCD	
C[C@H]1C[C@@H](NC(=O)N[C@H](C)c2ccccc2O)CO1	868741262	PHHDARKSHWLONZ-HBNTYKKESA-N	264.325	1.930	10	20	CDCD	
C[C@H](NC(=O)c1cc(CO)on1)c1ccc(N(C)C)cc1	867502905	DWJHPSBVNQCSAF-JTQLQIEISA-N	289.335	1.724	10	20	CDCD	
CNC(=O)CCCN(C)Cc1c(O)cccc1OC	769505794	NVQBYOQYNYCKSR-UHFFFAOYSA-N	266.341	1.359	10	20	CDCD	
CCCN1CC(=O)N[C@H]1c1c(O)cccc1Br	864388121	QPJBHPPNZXNOGQ-GFCCVEGCSA-N	299.168	1.995	10	20	CDCD	
CCN(CC)c1ccc(CNC[C@@H]2COCCN2)cc1	863484075	SUVJAULKBYZTBL-OAHLLOKOSA-N	277.412	1.611	10	20	CDCD	
C[C@@H](O)CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1	765541749	NCRBTGYLLYCSOH-GHMZBOCLSA-N	265.357	1.494	10	20	CDCD	
CCOC(=O)N1CCN(Cc2c(O)cccc2OC)CC1	768142777	PRIISALJQRWFJR-UHFFFAOYSA-N	294.351	1.675	10	20	CDCD	
CNC(=O)NC1CCN(Cc2ccc(C)cc2O)CC1	877589729	KVKHCVPMHOFNCF-UHFFFAOYSA-N	277.368	1.594	10	20	CDCD	
CSCCNCc1ccc(N2CCN(C)CC2)cc1	771821951	BFSGVDBWOVWHRQ-UHFFFAOYSA-N	279.453	1.891	10	20	CDCD	
COC(=O)[C@H]1COCCN1Cc1c(C)cccc1O	876726604	LAZBHYVPTGQDBJ-GFCCVEGCSA-N	265.309	1.074	10	20	CDCD	
CCO[C@@H]1COC[C@H]1N[C@@H](C)c1c(O)cccc1F	886621914	FWOPJKLCZALMQH-UFGOTCBOSA-N	269.316	1.986	10	20	CDCD	
C[C@@H](NCc1ccc(N)cc1)[C@@H](C)N1CCOCC1	1120370613	CFFVSAZCTTZCRI-CHWSQXEVSA-N	263.385	1.468	10	20	CDCD	
Cc1nnccc1C(=O)OCC(=O)c1ccc(O)c(O)c1	784362547	YUHBZTXMKDLFCY-UHFFFAOYSA-N	288.259	1.236	10	20	CDCD	
CCN(C)C(=O)[C@H](C)NCc1cc(C)cc(OC)c1O	894542064	WSRWLMQIKMDSQX-NSHDSACASA-N	280.368	1.666	10	20	CDCD	
COc1ccc(CNC(C)(C)CN(C)C)c(O)c1OC	894811976	WIAQEMSHCHCLMV-UHFFFAOYSA-N	282.384	1.839	10	20	CDCD	
CCN(CC)c1ccc(CN(C)Cc2nnn(C)n2)cc1	799293116	GQBHKEFMYBZLBY-UHFFFAOYSA-N	288.399	1.688	10	20	CDCD	
CN(Cc1ncc[nH]1)C(=O)NCCc1ccc(N)cc1	892038147	ALGHABVDYQGZEX-UHFFFAOYSA-N	273.340	1.376	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CCO[C@H](C)C2)c1O	37322650	VDFXDCOIBAIQGB-SECBINFHSA-N	267.300	1.955	10	20	CDCD	
COC[C@H](CCO)NCc1cc(Cl)ccc1O	219147636	SDXNJVAFLFJLOK-NSHDSACASA-N	259.733	1.533	10	20	CDCD	
CNC[C@@H](C)CNC(=O)NCc1ccc(N(C)C)cc1	1327460508	NKEAPKCDZVBKSH-GFCCVEGCSA-N	278.400	1.407	10	20	CDCD	
COC(=O)C1(CNCc2ccc(N(C)C)cc2)CC1	188669456	NQSFCLDQSNJEJU-UHFFFAOYSA-N	262.353	1.795	10	20	CDCD	
COC[C@@H](O)CNCc1c(O)cccc1Br	706804773	QKEZJOPIFHLZAI-QMMMGPOBSA-N	290.157	1.252	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)c2cc(CN(C)C)on2)c1	1331811851	OFAYBYPXXOTBFJ-UHFFFAOYSA-N	289.335	1.680	10	20	CDCD	
C[C@@H]1CN(C(=O)C(=O)N(C)Cc2ccccc2O)C[C@@H]1C	1330995392	BGOSYKPILOQRIA-TXEJJXNPSA-N	290.363	1.465	10	20	CDCD	
COC[C@](C)(NCc1ccc2c(c1)CCO2)C(=O)O	720756690	MASXELCUEJEDSP-AWEZNQCLSA-N	265.309	1.201	10	20	CDCD	
Nc1ccc(CNC(=O)N[C@H]2CC[C@H](CO)CC2)cc1	1335736555	DQQHSAZINHBEDW-MQMHXKEQSA-N	277.368	1.619	10	20	CDCD	
CCOC(=O)[C@@H](NC(=O)c1cc(O)cs1)C1CC1	1334012006	WMPRINGEUKHIFG-JTQLQIEISA-N	269.322	1.525	10	20	CDCD	
CN(C)c1ccc(CN[C@@H]2C[C@H](C(=O)O)[C@H]3C[C@H]32)cc1	1333892964	KMGVZNBUGLOQKS-LJISPDSOSA-N	274.364	1.951	10	20	CDCD	
CN(Cc1ccccc1O)c1nnnn1CC1CCC1	1262215628	BPXUXHPPDQGDMQ-UHFFFAOYSA-N	273.340	1.815	10	20	CDCD	
O=C(NCc1cccc(O)c1O)c1ocnc1C1CC1	1263894308	APHZZXFAWZQCKG-UHFFFAOYSA-N	274.276	1.893	10	20	CDCD	
COCCOCCCNC(=O)NCc1ccc(N)cc1	1262570028	LVZQDWZMKHQJEV-UHFFFAOYSA-N	281.356	1.121	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N2CC[C@H](CCN)C2)cc1	1356548957	XADDXULJSPSDSV-AWEZNQCLSA-N	290.411	1.633	10	20	CDCD	
COC[C@](C)(CC(=O)O)NCc1ccccc1O	1350611090	OJHHPCPGEDXBPT-ZDUSSCGKSA-N	253.298	1.362	10	20	CDCD	
CCNCCCNC(=O)N[C@H](C)c1ccccc1O	1350213678	HRUWMIGEXBMVOV-LLVKDONJSA-N	265.357	1.752	10	20	CDCD	
Cc1nnc([C@H](C)NC(=O)N(C)Cc2ccccc2O)o1	1528443403	NTFPHGGIAXPERP-VIFPVBQESA-N	290.323	1.986	10	20	CDCD	
CC[C@](C)(CC(=O)O)NC(=O)Cc1ccc(N)cc1	1604901518	IALRLYJMIQOPJQ-CQSZACIVSA-N	264.325	1.571	10	20	CDCD	
O=C(NCc1c(O)cccc1F)c1csc(C(=O)O)n1	1608464606	ZHQVPBIBDVZNNV-UHFFFAOYSA-N	296.279	1.616	10	20	CDCD	
CCc1cccc(CN2CCN(C)C[C@@H](C(=O)O)C2)c1O	1605829093	YKJKKFQLKCYWQT-CQSZACIVSA-N	292.379	1.403	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N[C@H]1CCC[C@H]1C(=O)O	1594675279	SFVWZBIQWPFMBW-PYIHCCSZSA-N	291.303	1.481	10	20	CDCD	
O=C(O)c1cc(N2CCOc3cccc(O)c3C2)ncn1	1777666695	DNKQKSMOGDEYFR-UHFFFAOYSA-N	287.275	1.279	10	20	CDCD	
COc1cccc(CN[C@@H](C)C[S@@](C)=O)c1O	168191417	YNDLLXRSCJYQTN-XYZCENFISA-N	257.355	1.257	10	20	CDCD	
Cc1cccc(CN2CCN([C@@H]3CCOC3)CC2)c1O	827120750	VOZVVKLDWZTUKW-OAHLLOKOSA-N	276.380	1.607	10	20	CDCD	
COc1ccc(N2CCCN(CC[S@@](C)=O)CC2)cc1	827467968	IIGYAOKGIRREJW-HXUWFJFHSA-N	296.436	1.586	10	20	CDCD	
CC[C@@H](NC(=O)Nc1ccc(N)cc1)C(C)(C)O	841300595	WVNXKCUQNOTUTI-LLVKDONJSA-N	251.330	1.940	10	20	CDCD	
CC(C)[C@@H]1CN(C)CCN1C(=O)Cc1ccc(N)cc1	843489719	KZIZHRHJJDRZFC-HNNXBMFYSA-N	275.396	1.610	10	20	CDCD	
COc1ccc(O)c(CNCC(C)(C)OCCO)c1	290230871	SUGLVPDLJAHWQM-UHFFFAOYSA-N	269.341	1.278	10	20	CDCD	
COc1ccc(O)c(CNCc2cnc(C)n2C)c1	689212135	SOXQJKMMZITMIB-UHFFFAOYSA-N	261.325	1.733	10	20	CDCD	
C[C@@H]1CSCCN(C(=O)c2cccc(O)c2O)C1	380380727	OJHVZHXWRKZBEL-VIFPVBQESA-N	267.350	1.923	10	20	CDCD	
Nc1ccc(NC(=O)N2C[C@@H]3[C@H](C2)C3(F)F)cc1	715462394	UOWSRQBBERANFJ-AOOOYVTPSA-N	253.252	1.998	10	20	CDCD	
Oc1ccc(Cl)cc1CN1CC[C@@H]2CNC[C@@H]21	385398314	VFWCGZSNDCHZRO-SKDRFNHKSA-N	252.745	1.839	10	20	CDCD	
CCN1C[C@H](NCc2ccc(N(C)C)cc2)CC1=O	391596501	HXCVRRXEUFZOMT-CYBMUJFWSA-N	261.369	1.463	10	20	CDCD	
COC(=O)NCC(=O)NCc1ccc2c(c1)CCCN2C	58768919	ADAORYJGRYXKFT-UHFFFAOYSA-N	291.351	1.041	10	20	CDCD	
CN(C)c1ccc(CNc2ccc(C(N)=O)cn2)cc1	1327077567	MVYRRVFREXJUGC-UHFFFAOYSA-N	270.336	1.859	10	20	CDCD	
CSCC[C@H](N)CC(=O)N(C)c1ccc(N)cc1	1357946177	VDZFDIIVMPNLQN-NSHDSACASA-N	267.398	1.702	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1ccon1	115490342	VWDOTVKWCKLHLV-UHFFFAOYSA-N	259.309	1.979	10	20	CDCD	
COC(=O)COc1ccc(N(C)CCn2cccn2)cc1	183795107	PEZLXORAQPTJRR-UHFFFAOYSA-N	289.335	1.571	10	20	CDCD	
COCCN1CCN(Cc2cccc(Cl)c2O)CC1=O	181578196	VYGJUVPTVGBSAO-UHFFFAOYSA-N	298.770	1.336	10	20	CDCD	
C[C@@H](NC[C@]1(O)CCOC1)c1ccc(F)c(F)c1O	187806415	XVKNDOSEEISYEW-AMIZOPFISA-N	273.279	1.472	10	20	CDCD	
Cc1nnsc1C(=O)NCCc1ccc(O)c(O)c1	175412026	MEEMURLYQQCSDT-UHFFFAOYSA-N	279.321	1.230	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CC[C@](C)(O)C2)c1O	227099561	WJQSPKXAZRTNBZ-AWEZNQCLSA-N	267.300	1.691	10	20	CDCD	
CCN1CCCN(Cc2cc(F)ccc2O)CC1=O	191541283	CXZHIVHGHUPTNW-UHFFFAOYSA-N	266.316	1.586	10	20	CDCD	
CCCCCN/C=C1/C(=O)NC(=S)N(CC(C)C)C1=O	48402897	UOXWLMAAMKPWCK-FLIBITNWSA-N	297.424	1.549	10	20	CDCD	
CCC[C@](C)(O)CNC(=O)c1ccc(C)c(O)c1O	272765020	QZFCSMOREAHOCG-AWEZNQCLSA-N	267.325	1.687	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1cncnc1	545233182	GCEPIRMCHRSEKF-UHFFFAOYSA-N	299.334	1.974	10	20	CDCD	
CC(C)[C@H]1NC(=O)N(Cc2ccc(N(C)C)c(F)c2)C1=O	272022651	AGMLRNOGPVKOQM-CYBMUJFWSA-N	293.342	1.968	10	20	CDCD	
CC[C@@]1(C(=O)NCc2ccc(N(C)C)c(F)c2)CCNC1	370842031	CKEWWXIEHYBWGE-MRXNPFEDSA-N	293.386	1.898	10	20	CDCD	
COc1ccc(O)c(CN2CC[C@@H]3NC(=O)OC[C@H]3C2)c1	281239580	LPRGOTFVPDDQMR-YPMHNXCESA-N	292.335	1.331	10	20	CDCD	
Cc1ccc(C(=O)NC[C@@H](C)CN(C)C)c(O)c1O	293667972	GHHIRHCBRSUHAI-SECBINFHSA-N	266.341	1.334	10	20	CDCD	
CC(C)n1ncnc1COC(=O)c1cccc(O)c1O	801311310	IGOGWMZIAOFTLW-UHFFFAOYSA-N	277.280	1.627	10	20	CDCD	
CC[C@H](CNS(C)(=O)=O)N[C@@H]1CCc2cccc(O)c21	296584772	UPXCAMUMQGCSLQ-VXGBXAGGSA-N	298.408	1.297	10	20	CDCD	
COc1cc(C(=O)OCC(=O)C(C)=O)cc2c1O[C@H](C)C2	808492699	BTPAIQPVZQAJGN-MRVPVSSYSA-N	292.287	1.334	10	20	CDCD	
COc1nnccc1NC(=O)N(C)Cc1ccccc1O	808902790	PIPMVDFLKCGWAS-UHFFFAOYSA-N	288.307	1.855	10	20	CDCD	
COCC1(C(=O)NCc2ccc(O)cc2O)CCOCC1	824369491	HPBNWNAAGGLJAH-UHFFFAOYSA-N	295.335	1.157	10	20	CDCD	
Cc1ccn(CC(=O)NCc2ccc(N(C)C)cc2C)n1	825874286	YDLVSAKQYCQPHI-UHFFFAOYSA-N	286.379	1.882	10	20	CDCD	
CC[C@@H](CO)N(C)Cc1ccc(N2CCOCC2)cc1	824533690	KLWZQYKXIYLBDB-HNNXBMFYSA-N	278.396	1.726	10	20	CDCD	
Cc1ccncc1/C=C/C(=O)N(C)c1ccn(C)n1	492702713	HOTOZGVWYMVRDF-SNAWJCMRSA-N	256.309	1.800	10	20	CDCD	
CCCN1CC[C@@H](NCc2cc(OC)c(OC)cc2O)C1	827519399	MKLWBEXELAUNOA-CYBMUJFWSA-N	294.395	1.983	10	20	CDCD	
CO[C@@H]1COC[C@@H]1NCc1cc(Cl)cc(C(C)=O)c1O	839200365	VEIPTNMQMYGMLH-QWHCGFSZSA-N	299.754	1.752	10	20	CDCD	
COC(=O)[C@H]1CC12CCN(C(=O)c1cc(O)cs1)CC2	733813584	WLVRWNXAYCZYJE-SNVBAGLBSA-N	295.360	1.869	10	20	CDCD	
CON1CCN(Cc2ccc(N(C)C)c(C)c2)CC1	846970527	GTRAWDALWGHQNT-UHFFFAOYSA-N	263.385	1.740	10	20	CDCD	
NC[C@@H]1CCN(Cc2cc(Cl)cc(F)c2O)C1	843048223	BTNVMQPWFBXMQS-QMMMGPOBSA-N	258.724	1.965	10	20	CDCD	
C[C@H](NC(=O)NCCc1ccc(N)cc1)[C@@H]1CCCOC1	841875082	QXZPHOFLCMBJRY-GXTWGEPZSA-N	291.395	1.926	10	20	CDCD	
Oc1cccc(Cl)c1CNC[C@@H]1CNCCCO1	841087237	RZVPKJGLOTTZFD-JTQLQIEISA-N	270.760	1.514	10	20	CDCD	
C[C@@H](CN)NC(=O)NCc1cc(Cl)cc(Cl)c1O	841981654	CQGLLMPOTHHYBC-LURJTMIESA-N	292.166	1.845	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@@H]2CCCS2)c1	743410943	TVBUTCKPOTZYSL-LBPRGKRZSA-N	267.350	1.913	10	20	CDCD	
CC1(CNC(=O)NCCc2ccc(N)cc2)CCNCC1	841956227	ZFTLSOMMZPOWDK-UHFFFAOYSA-N	290.411	1.500	10	20	CDCD	
Nc1ccc(CCNC(=O)N[C@H](CO)C2CCCC2)cc1	841956205	YMZWDRMDHLIKRP-OAHLLOKOSA-N	291.395	1.662	10	20	CDCD	
Nc1ccc(Cc2noc(CN3CCSC3=O)n2)cc1	843158716	IAKZMOSMXHNZKC-UHFFFAOYSA-N	290.348	1.911	10	20	CDCD	
COc1ccc(O)c([C@H](C)Nc2nccn3nnnc23)c1	749147634	OGCMYLNFGIOGME-QMMMGPOBSA-N	286.295	1.407	10	20	CDCD	
Oc1ccc(Cl)cc1CNC[C@H]1CNCCCO1	841087315	UNDZPRFRDSXOPQ-GFCCVEGCSA-N	270.760	1.514	10	20	CDCD	
CCN1CCC[C@H](NC(=O)c2ccc(C)c(O)c2O)C1=O	928870188	QGBVUGFEDTXAEH-NSHDSACASA-N	292.335	1.147	10	20	CDCD	
NC(=O)c1ccc(NC(=O)NCc2ccccc2O)cc1	748325613	RQHGPUOVMFDANL-UHFFFAOYSA-N	285.303	1.813	10	20	CDCD	
CC(C)N1CCC[C@@H](OC(=O)c2cccc(O)c2O)C1=O	758559657	FJEOVJJITVZLSI-GFCCVEGCSA-N	293.319	1.654	10	20	CDCD	
CO[C@@]1(C)C[C@H]1NC(=O)NCc1ccccc1O	852686345	RXDLCEIGRPCQQA-YPMHNXCESA-N	250.298	1.369	10	20	CDCD	
CCOC(=O)[C@H](C)NCc1ccc(OCC)cc1O	763269010	KZIBFSWORSOMCP-JTQLQIEISA-N	267.325	1.832	10	20	CDCD	
Cc1ccc(C(=O)NCc2cccnn2)c(O)c1O	768569764	WFOHNKKMRSDRCL-UHFFFAOYSA-N	259.265	1.126	10	20	CDCD	
Cc1cccc(O)c1CN1CC(=O)N[C@@H]2CCCC[C@@H]21	876653376	YTJCLVXLIQZASL-KGLIPLIRSA-N	274.364	1.944	10	20	CDCD	
C[C@H](N)[C@@H]1CN(Cc2ccc(N3CCCC3)cc2)CCO1	1118179126	LGOLNLZORSJZKG-YOEHRIQHSA-N	289.423	1.835	10	20	CDCD	
COCC1(C(=O)NCc2cc(OC)ccc2O)CC1	778914842	NBKBBMOWAYATEZ-UHFFFAOYSA-N	265.309	1.444	10	20	CDCD	
CCN[C@H](C)C(=O)NCc1c(O)ccc2c1CCCC2	876884347	GNJPRBCTHUWPQS-LLVKDONJSA-N	276.380	1.885	10	20	CDCD	
Cc1cccc(O)c1CN[C@H]1CCCN(CCCO)C1	877558533	JPHCHNRZSFFOGL-AWEZNQCLSA-N	278.396	1.637	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H](CCO)C2CC2)c1O	775023462	KGUWMWCQNULRML-NSHDSACASA-N	296.323	1.560	10	20	CDCD	
Cc1cccc(O)c1CNCCCC(=O)NC1CC1	876935070	NFYJONTVMXZOJO-UHFFFAOYSA-N	262.353	1.849	10	20	CDCD	
CC1=NO[C@@](C)(C(=O)NCc2cccc(O)c2O)C1	1123977273	DLMRGPGUTVMJGZ-CYBMUJFWSA-N	264.281	1.269	10	20	CDCD	
C[C@@H](CN1CCN(C)CC1)N[C@H](C)c1c(O)cccc1F	886525004	VOMAWVBXFMFOGA-QWHCGFSZSA-N	295.402	1.818	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2c[nH]nc2[N+](=O)[O-])cc1	788267654	YEYDBVUQGPGQII-UHFFFAOYSA-N	289.295	1.314	10	20	CDCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C[C@H](O)CO	782135908	MBNXVHRUVDEOEK-HNNXBMFYSA-N	266.385	1.316	10	20	CDCD	
COc1cc(C)cc(CN[C@@H]2C(=O)NCC[C@@H]2C)c1O	894664148	VURSFGPMYPNTAM-GWCFXTLKSA-N	278.352	1.323	10	20	CDCD	
CC[S@@](=O)CCNCc1cc(C)cc(OC)c1O	894259901	IDMBPEUGIPOGRD-GOSISDBHSA-N	271.382	1.567	10	20	CDCD	
CCN(Cc1ccc(N)cc1)[C@@H](C)CS(C)(=O)=O	1335284580	DSYBJHAATDSEBJ-NSHDSACASA-N	270.398	1.524	10	20	CDCD	
CCc1c(C(=O)NCc2ccc(N)cc2)cnn1C	1515158376	MAHINYFGVWQUBW-UHFFFAOYSA-N	258.325	1.495	10	20	CDCD	
CN1CCC[C@@H](NCc2cc(F)c(N(C)C)cc2F)C1=O	1328688390	APCJTOYYJIGCKC-CYBMUJFWSA-N	297.349	1.741	10	20	CDCD	
Nc1ccc(CC(=O)NC[C@H]2CCCC[C@@H]2O)cc1	85961781	HPZPMVRPCVVVDQ-OCCSQVGLSA-N	262.353	1.479	10	20	CDCD	
Nc1ccc(CNC(=O)N2[C@H]3CC[C@H]2CC(O)C3)cc1	1335738182	XABLFLBHBFEWPO-STQMWFEESA-N	275.352	1.466	10	20	CDCD	
COC(=O)[C@H]1CCC[C@@H](C(=O)NCc2ccc(N)cc2)C1	1346209424	JESIVLJDPYCVES-OLZOCXBDSA-N	290.363	1.864	10	20	CDCD	
C[C@@H](C[C@H]1CCOC1)NC(=O)NCc1ccc(N)cc1	1357261977	PAKCULUEVNNRPF-WCQYABFASA-N	277.368	1.883	10	20	CDCD	
CN1CCN(c2ccc(CNC(=O)[C@@H]3C[C@H]3F)cc2)CC1	1528572923	XHFSDOHSUYAZII-HUUCEWRRSA-N	291.370	1.413	10	20	CDCD	
O=C(O)c1cnc(SCCC2CS(=O)(=O)C2)s1	1602537251	OULCTGJNDSPFPF-UHFFFAOYSA-N	293.391	1.368	10	20	CDCD	
Cn1cc(NC(=O)Cc2ccc(O)c(O)c2)cc1C(=O)O	1600963305	MVXWHHUSISCHEL-UHFFFAOYSA-N	290.275	1.316	10	20	CDCD	
COc1cccc(CNc2cccnc2-c2nn[nH]n2)c1O	1605318114	NWLNLTWNPRVAKK-UHFFFAOYSA-N	298.306	1.588	10	20	CDCD	
COCCO[C@@H]1CCN(Cc2ccc(N)cc2)C1	1120268473	FUSMPCCBUUBOJC-CQSZACIVSA-N	250.342	1.506	10	20	CDCD	
COc1ccc(CN[C@H](C(=O)O)c2ccn(C)n2)cc1C	1599571838	YEBFQSUMHFPEAE-AWEZNQCLSA-N	289.335	1.653	10	20	CDCD	
CNCC(=O)NCc1ccc(N2CCSCC2)cc1	165421402	SHRQWDACDKMJIC-UHFFFAOYSA-N	279.409	1.075	10	20	CDCD	
c1cc2c(cc1CN[C@@H]1[C@H]3C[C@@H]4CN[C@@H]1[C@H]4C3)CCO2	925560766	XRUXKLSPRJEWGM-IUKJFTNHSA-N	270.376	1.708	10	20	CDCD	
CC(C)CO[C@@H](C)C(=O)NCc1ccc(N)cc1	837303483	RSJWSLDVKJJXCQ-NSHDSACASA-N	250.342	1.946	10	20	CDCD	
Oc1ccc(F)cc1CNC[C@@H]1CN2CCC[C@@H]2CO1	226607667	OOWAKBVNYSEMQF-ZIAGYGMSSA-N	280.343	1.484	10	20	CDCD	
C[C@H](NC[C@H]1CN2CCC[C@H]2CO1)c1ccccc1O	252546040	KBGZFIYNAOOLAH-IHRRRGAJSA-N	276.380	1.906	10	20	CDCD	
CC(C)[C@H]1NCC[C@H]1C(=O)NCc1ccccc1O	289602214	BRUSJJIBZSMQEP-TZMCWYRMSA-N	262.353	1.643	10	20	CDCD	
Oc1cc2c(cc1CNCCOCC(F)F)OCO2	190889535	FQDPAABQESLABF-UHFFFAOYSA-N	275.251	1.492	10	20	CDCD	
c1n[nH]c(CCNCc2ccc(N3CCCC3)cc2)n1	80576146	HVVVENFJAKBVNG-UHFFFAOYSA-N	271.368	1.737	10	20	CDCD	
CN1CCC[C@@H](N[C@H]2CCc3cccc(O)c32)C1=O	704346657	YSIMYHJDFUVKGC-NWDGAFQWSA-N	260.337	1.590	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@H](N)CC(F)F)cc1	382465258	ZPYSAWYPMNKDII-LLVKDONJSA-N	271.311	1.351	10	20	CDCD	
CC1CCN(c2ccc(CNS(N)(=O)=O)cc2)CC1	108403622	QYKWZRVEXDDJCA-UHFFFAOYSA-N	283.397	1.216	10	20	CDCD	
COCCCNC(=O)NCc1ccc(N2CC=CC2)cc1	172704747	LJUGFGNRAUCMCS-UHFFFAOYSA-N	289.379	1.899	10	20	CDCD	
CC(=O)N[C@@H](C)C(=O)NCc1ccc(N2CCCC2)cc1	28046609	PVNSTUIURVKIRP-LBPRGKRZSA-N	289.379	1.428	10	20	CDCD	
C/C=C/C[C@@H](CO)NCc1ccc(N2CCOCC2)cc1	185815185	WLTRUXLSIDAHOF-KZSQQDEKSA-N	290.407	1.940	10	20	CDCD	
CCOCc1cc(CN[C@]2(CO)CCOC2)ccc1OC	184182832	NECALEZHUOOXQJ-INIZCTEOSA-N	295.379	1.473	10	20	CDCD	
CC(C)N(CCO)CC(=O)NCc1ccc(N(C)C)cc1	78720058	ILHOHMLNHHYJAX-UHFFFAOYSA-N	293.411	1.072	10	20	CDCD	
O=C(Nc1cccnc1-n1cccn1)c1cccc(O)c1O	188161359	VTMIINHKEVEAFZ-UHFFFAOYSA-N	296.286	1.931	10	20	CDCD	
OCCN(Cc1ccccc1O)C[C@H]1CCCO1	177715887	UIMSTQXIVLATDE-CYBMUJFWSA-N	251.326	1.366	10	20	CDCD	
CCONC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	193096608	ALUWFKLUUXAKLY-UHFFFAOYSA-N	293.367	1.616	10	20	CDCD	
COC(=O)C[C@H]1CN(Cc2cc(C)ccc2O)CCO1	93458662	AOSIIFKLHIOMQP-ZDUSSCGKSA-N	279.336	1.465	10	20	CDCD	
CS(=O)(=O)c1ccccc1C(=O)Nc1ccc(N)cc1	237419227	FLOZZIRZGFGVQI-UHFFFAOYSA-N	290.344	1.925	10	20	CDCD	
C[C@@H]([C@@H](C)N(C)Cc1ccccc1O)S(C)(=O)=O	179575619	JXYBWWVDSSJGOM-MNOVXSKESA-N	271.382	1.646	10	20	CDCD	
O=C(O)C[C@H]1CSCCN1Cc1ccccc1O	91133810	YZDZFUQIRUWTDI-NSHDSACASA-N	267.350	1.784	10	20	CDCD	
CC[C@H](C(=O)NCc1ccc(O)c(O)c1)N(CC)CC	269095675	MRFOEUVXYSYUKF-GFCCVEGCSA-N	280.368	1.834	10	20	CDCD	
CO[C@@H](C)CCNC(=O)N(C)Cc1ccccc1O	263810061	UYNOBXHFXDIKRJ-NSHDSACASA-N	266.341	1.959	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)NCCC[C@H](C)O)c1	279183669	VTHQYMSTJRVMKH-QWRGUYRKSA-N	281.352	1.990	10	20	CDCD	
C[C@@H](O)C(=O)NCc1cccc(Br)c1O	277540909	NGWDUMKUBJGUFO-ZCFIWIBFSA-N	274.114	1.152	10	20	CDCD	
CC(=O)N1CCN(CCN[C@H](C)c2ccccc2O)CC1	272884095	RHCJALKCYNNSAO-CYBMUJFWSA-N	291.395	1.207	10	20	CDCD	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N1CCCC1	283041528	CUFMZEIFSWWTEM-UHFFFAOYSA-N	299.374	1.301	10	20	CDCD	
O=C(O)[C@]1(NCc2cc([N+](=O)[O-])ccc2O)CCSC1	283776129	CPHLMWRMKXCUHP-LBPRGKRZSA-N	298.320	1.350	10	20	CDCD	
CCN(C[C@H](O)COCCOC)c1ccc(OC)cc1	295624820	BCKYHVLDCDFYFI-AWEZNQCLSA-N	283.368	1.545	10	20	CDCD	
CCCCN1CC(=O)N[C@H]1c1cc([N+](=O)[O-])ccc1O	298792152	QWYQAPFXQDEQRF-CYBMUJFWSA-N	279.296	1.531	10	20	CDCD	
Cc1ccccc1-n1c(C)cc(C(=O)N(C)CC(N)=O)c1C	298502273	PNNHNJQNHQYSHB-UHFFFAOYSA-N	299.374	1.960	10	20	CDCD	
CC[C@H](O)CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1	813719976	QIRWIEXOFMSCTM-FZMZJTMJSA-N	279.384	1.884	10	20	CDCD	
O=C(O)[C@H]1CN(C(=O)/C=C/c2cnccn2)c2ccccc21	492983914	IGJWEVGRXDZKQJ-GFUIURDCSA-N	295.298	1.705	10	20	CDCD	
COCC(COC)NCc1cc(Cl)cc(F)c1O	824921122	GDOPRLLBGXMCMZ-UHFFFAOYSA-N	277.723	1.936	10	20	CDCD	
O=C1N=C(N2CCOCC2)S/C1=C/c1cccc(F)n1	901443221	MSBSLOBAAFASOP-CSKARUKUSA-N	293.323	1.523	10	20	CDCD	
CCN(C)c1ccc(CN2CC[C@@](O)(C(=O)O)C2)cc1	903623360	ONOIIOTYAOPSCD-HNNXBMFYSA-N	278.352	1.164	10	20	CDCD	
C[C@@H]1CCC[C@]1(O)CNC(=O)c1cc(O)cs1	832903969	GQZDBFOAIQYQQU-PELKAZGASA-N	255.339	1.735	10	20	CDCD	
COc1cccc(CNC(=O)c2cnc(C)n2C)c1O	901128591	YRDRMDGOMUFDKX-UHFFFAOYSA-N	275.308	1.373	10	20	CDCD	
COCCN(C[C@H]1CCCN1)c1ccc(OC)c(OC)c1	903439740	NNGNAMNJOXUIFY-CYBMUJFWSA-N	294.395	1.909	10	20	CDCD	
CCCCO[C@H](C)C(=O)NCc1ccc(O)cc1O	910953436	BLMVWQQXXQIXCS-SNVBAGLBSA-N	267.325	1.919	10	20	CDCD	
Cn1cnc(/C=C\C(=O)N2CCNCc3ccccc32)c1	911761248	NCGMHAVHWJKYPF-SREVYHEPSA-N	282.347	1.570	10	20	CDCD	
COCCNC(=S)NCc1c(O)ccc2c1CCCC2	741874663	JIVBNRDMYSXSNQ-UHFFFAOYSA-N	294.420	1.882	10	20	CDCD	
O=C1O[C@H](C(=O)NCc2ccccc2O)Cc2ccccc21	748346053	LBNPJCPICNMGGL-HNNXBMFYSA-N	297.310	1.790	10	20	CDCD	
CN(CCN)C(=O)NCCCSc1nccs1	841857587	PKIIINNXNGXHJJ-UHFFFAOYSA-N	274.415	1.225	10	20	CDCD	
COc1ccc(O)c(CNC(=S)NC[C@H]2CCOC2)c1	749707282	RBLQUHSPRPENLX-SNVBAGLBSA-N	296.392	1.401	10	20	CDCD	
Oc1ccc(Cl)cc1CNCCCN1CCNCC1	841030506	SHBPFILQVISTMR-UHFFFAOYSA-N	283.803	1.431	10	20	CDCD	
COC(=O)[C@H]1CNCCCN1Cc1cc(C)c(C)cc1O	843122618	DCFXCXYIUCESAE-CQSZACIVSA-N	292.379	1.346	10	20	CDCD	
CC(C)N(C)C[C@H](C)NC(=O)/C=C\c1ccc(O)c(O)c1	753030716	VXZYNBKZWHTKHP-VFFGBVLKSA-N	292.379	1.956	10	20	CDCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@@H]2C=CCC2)c1	855428080	SFOMWCVQEVNURV-SECBINFHSA-N	296.348	1.212	10	20	CDCD	
COc1ccc(N2CCN(CC[N+](=O)[O-])CC2)cc1F	929820401	DVEZOENVSKEBRF-UHFFFAOYSA-N	283.303	1.233	10	20	CDCD	
CC(C)(CNC(=O)c1cc(O)cs1)[C@@]1(O)CCCOC1	856144354	IPAVUKHRFAHXLD-CQSZACIVSA-N	299.392	1.751	10	20	CDCD	
CCc1nc(COC(=O)c2ccc(C)c(O)c2O)n[nH]1	754810571	YXAIJKDWZKSKEJ-UHFFFAOYSA-N	277.280	1.444	10	20	CDCD	
Cc1ccc(O)c(CN2CC(=O)N(CC(F)(F)F)C2)c1	754155916	LNNIZWHSYIWLAC-UHFFFAOYSA-N	288.269	1.865	10	20	CDCD	
COC(=O)N(C)CCN[C@@H](C)c1cc([N+](=O)[O-])ccc1O	850548491	SOKCQSFMAIHCJN-VIFPVBQESA-N	297.311	1.649	10	20	CDCD	
Cc1ccn(C)c(=O)c1NC(=O)NCc1ccccc1O	758628408	SEJCLTWTRVMKFT-UHFFFAOYSA-N	287.319	1.721	10	20	CDCD	
CCN(C)c1ccc(CN2CCOC[C@H]2COC)cc1	933331665	MUHPKZKMPLVUTC-MRXNPFEDSA-N	278.396	1.990	10	20	CDCD	
COc1ccc(CNC(=O)CCc2nnc(C)o2)c(O)c1	1119103881	GLGAYOLKMULLSY-UHFFFAOYSA-N	291.307	1.341	10	20	CDCD	
Cc1ccc(CNCCCO[C@@H]2CCOC2)c(O)c1	877086765	AKAPUYBZPPAFPK-CQSZACIVSA-N	265.353	1.986	10	20	CDCD	
C[C@@H]1C(=O)N(C)CCN1Cc1cc(Cl)cc(F)c1O	779199724	IZGHCRHFGFNWGG-MRVPVSSYSA-N	286.734	1.847	10	20	CDCD	
CCOC(=O)CN(CC)Cc1cc(OC)c(OC)cc1O	775664607	ZMYNMOIJQTVHRJ-UHFFFAOYSA-N	297.351	1.794	10	20	CDCD	
Cc1cc(CNC(=O)/C=C\c2ccc(O)c(O)c2)n[nH]1	779519426	DFLAFDFUDMHRIA-HYXAFXHYSA-N	273.292	1.459	10	20	CDCD	
Cn1cc([N+](=O)[O-])cc1C(=O)NCc1ccc(O)c(O)c1	778913693	AZFFFXLZRDPMFX-UHFFFAOYSA-N	291.263	1.275	10	20	CDCD	
Cc1nonc1CNCc1cc(F)cc(F)c1O	883203393	AVTBLWMOBLFMDM-UHFFFAOYSA-N	255.224	1.652	10	20	CDCD	
C[C@H](OC(=O)c1cccc(O)c1O)c1cnccn1	784787435	IYGZNDIZTDJEFI-QMMMGPOBSA-N	260.249	1.806	10	20	CDCD	
CC1(C)CNC(=O)[C@@H]1NCc1ccc2c(c1)CCO2	895316056	HJLZMRUWKMYGPQ-ZDUSSCGKSA-N	260.337	1.236	10	20	CDCD	
COc1cc(C)cc(CN2CC[C@@H](C)C[C@@H]2C(N)=O)c1O	894500945	SLHLMUYVVNAJIR-ZWNOBZJWSA-N	292.379	1.795	10	20	CDCD	
COC[C@@H](CNCc1ccc(OC)c(OC)c1O)OC	893485253	VSEAPDVNLJKNFI-LLVKDONJSA-N	285.340	1.160	10	20	CDCD	
CCOc1cccc(CN2C[C@H]3[C@@H](O)CC[C@H]3C2)c1O	895784803	MUIIOEFMFBBCCR-YUTCNCBUSA-N	277.364	1.994	10	20	CDCD	
O=C(c1cc(O)cs1)N1CC([C@H]2CCOC2)C1	792687246	XRTKXMCAIQQLJZ-QMMMGPOBSA-N	253.323	1.562	10	20	CDCD	
CCN1CCN(CCC(=O)Nc2ccc(N)cc2)CC1	19260539	CTUNSNIVPNNTPJ-UHFFFAOYSA-N	276.384	1.235	10	20	CDCD	
O=C(O)C(F)(F)CNCc1ccc2c(c1)CCCO2	900044906	CAGVSBORCQFRBX-UHFFFAOYSA-N	271.263	1.821	10	20	CDCD	
CN(C)c1ccc(CNC(=O)COCc2ccncc2)cc1	1322809845	WRSJXUDUDDQIBS-UHFFFAOYSA-N	299.374	1.981	10	20	CDCD	
O[C@H]1CCN(CCNCc2ccc(N3CCCC3)cc2)C1	1328718200	YOPHQSFKVMDAMY-KRWDZBQOSA-N	289.423	1.443	10	20	CDCD	
CN1CCN(C)[C@H](CNCc2ccc(N(C)C)cc2)C1	68803374	NWHPCOUEXRYQBC-MRXNPFEDSA-N	276.428	1.088	10	20	CDCD	
Nc1ccc(CN2CCC[C@H](N3CCOCC3)CC2)cc1	1262488008	MYKIMQDLSUXFQG-KRWDZBQOSA-N	289.423	1.956	10	20	CDCD	
C[C@H](N[C@@H](C)[C@H](C)N)c1cc(C(=O)O)ccc1O	1609777900	XPDKCPAGBLMWQK-CIUDSAMLSA-N	252.314	1.477	10	20	CDCD	
O=C(O)/C=C/c1ccc(N2[C@H]3COC[C@H]2C3)c([N+](=O)[O-])c1	1608659908	KDMIZULYVKAOEJ-JTNORFRNSA-N	290.275	1.670	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N[C@H]2C[C@@H](N)C2)cc1F	1578425376	AKEMYBCFHBWSSW-PHIMTYICSA-N	280.347	1.181	10	20	CDCD	
Oc1cc(Br)ccc1CN[C@@H]1CNCC12CC2	1580888688	VXHRNDTXERRBPW-GFCCVEGCSA-N	297.196	1.996	10	20	CDCD	
C[C@@H](NCc1ccc(-c2nn[nH]n2)cn1)c1ccccc1O	1589968758	VJFDQBXUDBOCMZ-SNVBAGLBSA-N	296.334	1.818	10	20	CDCD	
CCOC(=O)[C@H](C)Sc1ncc(C(=O)O)s1	1596527241	WQSDOZBXKQIHHQ-YFKPBYRVSA-N	261.324	1.885	10	20	CDCD	
CC[C@H](C)NC(=O)[C@H](C)NC(=O)Cc1ccc(N)cc1	153667539	HGRKHTGASXWKIN-QWRGUYRKSA-N	277.368	1.231	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@H]2CCn3ccnc3C2)cc1	155835074	SVKLSMKTLSRSHC-AWEZNQCLSA-N	298.390	1.828	10	20	CDCD	
Cn1cc(CNCc2ccc3c(c2)CCCO3)nn1	921986616	LOSFFEZSAAVBCU-UHFFFAOYSA-N	258.325	1.430	10	20	CDCD	
COc1ccc(N(C)CC[C@@H]2CCS(=O)(=O)C2)cc1	844353578	ZHYMDMMKPQCLJT-GFCCVEGCSA-N	283.393	1.956	10	20	CDCD	
C[C@@H]1CN(C(=O)c2cccc(O)c2O)CC(C)(C)O1	126367184	SPZKDFJUIOPWSL-SECBINFHSA-N	265.309	1.737	10	20	CDCD	
NCc1ccc2c(c1)CCCN2CCn1cncn1	382031673	RSGSEDBKZNUVJR-UHFFFAOYSA-N	257.341	1.190	10	20	CDCD	
COc1ccc(CN[C@](C)(C(N)=O)C(C)C)cc1C	388935925	UITIATPHJUGAPM-HNNXBMFYSA-N	264.369	1.993	10	20	CDCD	
C[C@@H](NC(=O)CNC(C)(C)C)c1ccccc1O	1119048819	CKBXURCKRRDXHL-SNVBAGLBSA-N	250.342	1.958	10	20	CDCD	
C[C@@H](NC[C@H]1CN(C)CCN1C)c1ccc(N(C)C)cc1	68801765	RSIGQQIYGCUPFT-PBHICJAKSA-N	290.455	1.649	10	20	CDCD	
Oc1ccc(Cl)cc1CNC[C@]1(O)CCOC1	179028809	DIWKZVOKZMTEGX-GFCCVEGCSA-N	257.717	1.287	10	20	CDCD	
CN(CCC1OCCO1)c1ccc2c(c1)OCO2	125213904	UCVZDCVTPPBWQX-UHFFFAOYSA-N	251.282	1.615	10	20	CDCD	
CCCNC(=O)CCNCc1cccc(C)c1O	124724595	PXRBSJHAMHBPQL-UHFFFAOYSA-N	250.342	1.707	10	20	CDCD	
COc1ccc(O)c(CNC(=O)C[C@@H]2CCCOC2)c1	193596422	NFFMCAHEDRZWAW-NSHDSACASA-N	279.336	1.834	10	20	CDCD	
Cc1cc(NS(=O)(=O)N2CCCC2)ccc1O	148638938	NXISSOZPQUHDHW-UHFFFAOYSA-N	256.327	1.453	10	20	CDCD	
COc1cccc(CNC(=O)NC[C@@H]2CCCO2)c1O	97595837	RHZFKMLCBXRWAL-NSHDSACASA-N	280.324	1.379	10	20	CDCD	
CC(C)C[C@@H](CCO)CNC(=O)Cc1ccc(N)cc1	236751964	KHRNIVCRZVUVPD-CQSZACIVSA-N	278.396	1.972	10	20	CDCD	
CN(CC(C)(C)O)C(=O)NCc1ccc(N(C)C)c(F)c1	268152176	XEKLFFXCKIBLAA-UHFFFAOYSA-N	297.374	1.804	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H](C)CCCO)c1O	278505570	ORTYEVWJANVRCG-VIFPVBQESA-N	284.312	1.560	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2CCC[C@H]2CO)c1O	278178643	GQNKDOFZLXGSQF-JTQLQIEISA-N	282.296	1.266	10	20	CDCD	
C[C@H](NCCCN1CCC[C@H]1C(N)=O)c1ccccc1O	272872623	OYQFVJOKDYIGBA-JSGCOSHPSA-N	291.395	1.383	10	20	CDCD	
CC(=O)C(=O)CSc1nc2ccsc2c(=O)n1C	289759639	VLFZDVQYDYYXII-UHFFFAOYSA-N	282.346	1.245	10	20	CDCD	
COCC1(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)CCC1	285733123	GOBREYAVMRKIRS-NSHDSACASA-N	293.363	1.962	10	20	CDCD	
COc1ccc(O)c(CNC(=O)C[C@H]2CCCC(=O)N2)c1	377701515	TYYKPUCBNWSFOT-LLVKDONJSA-N	292.335	1.076	10	20	CDCD	
C[C@H](NCc1ccc(N(C)C)cc1)c1ccc(=O)[nH]n1	285827615	WUFRDFCJWMMDOR-NSHDSACASA-N	272.352	1.687	10	20	CDCD	
CC[C@@H](N[C@H](CO)COC)c1ccc(C)cc1O	281230426	URNAZVVVFJGFGT-DGCLKSJQSA-N	253.342	1.749	10	20	CDCD	
CNC(=O)CN(Cc1ccc(N(C)C)cc1)C(C)C	298691256	CUKVFGMCXRYLCL-UHFFFAOYSA-N	263.385	1.709	10	20	CDCD	
CC1(CNC(=O)c2c(F)ccc(O)c2O)CCOCC1	295017496	DGGNVJOSZIETHS-UHFFFAOYSA-N	283.299	1.783	10	20	CDCD	
Oc1cccc(Cl)c1CN1CCOC[C@H](O)C1	294823772	PDMSXMYKBUIBGH-SECBINFHSA-N	257.717	1.239	10	20	CDCD	
CN1CC(=O)N[C@H]1c1cc(Cl)cc(Cl)c1O	298793717	RRYUXKRCUFRYOK-SNVBAGLBSA-N	261.108	1.759	10	20	CDCD	
O=C(O)CCC(=O)NCc1c(O)ccc2c1CCCC2	296695220	AWSVSQCGNREHIY-UHFFFAOYSA-N	277.320	1.752	10	20	CDCD	
CN(C)c1ccc(Cn2c(-c3ncccn3)noc2=O)cc1	814745360	RJFSDTZYRUSFJA-UHFFFAOYSA-N	297.318	1.408	10	20	CDCD	
C[C@@H](NC1CNC1)c1ccc(N2CCOCC2)cc1Cl	817955395	XPDNCXOQKJYTLX-LLVKDONJSA-N	295.814	1.799	10	20	CDCD	
Cc1cc(O)c(CN[C@@H]2CC(=O)N(C)C2)cc1Cl	825186090	VYKIRQLKPMKPHK-SNVBAGLBSA-N	268.744	1.674	10	20	CDCD	
CCN(CCCO)c1ccc(/C=C\C(=O)O)cc1[N+](=O)[O-]	829709416	IMQJWPRIDNQIRU-ALCCZGGFSA-N	294.307	1.901	10	20	CDCD	
C[C@H](C(=O)NCc1ccc(N(C)C)cc1)c1cnccn1	905316736	CVEUCZYUJMTOLP-LBPRGKRZSA-N	284.363	1.963	10	20	CDCD	
C[C@@H]1CN(C(=O)/C=C\c2ccc(O)c(O)c2)C[C@H]1C(=O)O	833617887	IKIIBBBFQAJKFZ-VVCGMDSISA-N	291.303	1.290	10	20	CDCD	
C[C@H](NC(=O)NC[C@H]1CCCN1)c1ccc(N(C)C)cc1	841881985	FXUMAISXNNEFRA-GXTWGEPZSA-N	290.411	1.865	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNCC(F)(F)CN	841059567	FUWMQTSXVUJKLR-UHFFFAOYSA-N	257.328	1.745	10	20	CDCD	
COc1ccc(N(C)CCN(C)C(=O)NC[C@@H](C)N)cc1	846173788	KLJDDQSPDLNKRH-GFCCVEGCSA-N	294.399	1.120	10	20	CDCD	
CCn1nncc1CNCc1ccc(N(C)C)cc1C	841862940	JGKLULDOQNVFQW-UHFFFAOYSA-N	273.384	1.962	10	20	CDCD	
CN1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1O	846476708	OVAZWMBUXPUHIT-NSHDSACASA-N	268.744	1.756	10	20	CDCD	
Oc1ccccc1CNCC[C@@]1(O)CCCOC1	846109912	KNSTYFUCPSGNOW-AWEZNQCLSA-N	251.326	1.413	10	20	CDCD	
CC[C@H]1CN(C)CCN1C(=O)Nc1ccc(N)cc1	841299752	NLGDSJNRELSAAP-ZDUSSCGKSA-N	262.357	1.827	10	20	CDCD	
CCN(C(=O)/C=C/c1cnc(OC)nc1)c1cnn(C)c1	848343803	QWVMVQQNXCIYLD-AATRIKPKSA-N	287.323	1.285	10	20	CDCD	
CC[C@@H](NC(=O)Cc1ccc(N)cc1)[C@H]1CCCO1	846684807	SDYURNVPCSBGCT-ZIAGYGMSSA-N	262.353	1.885	10	20	CDCD	
Nc1ccc(CCNC(=O)NC[C@@H]2CCCO2)cc1	841506266	DQKIKRRIXUHHHX-ZDUSSCGKSA-N	263.341	1.290	10	20	CDCD	
COc1ccc2c(c1)CCCN2C[C@@H]1CCC(=O)N1	844273799	JVNKWRLRFNTWMA-LBPRGKRZSA-N	260.337	1.726	10	20	CDCD	
C[C@@H]1CN(C(=O)C(=O)Nc2ccc(N)cc2)C[C@H]1C	841053765	BLBYIKBLMPQQNV-NXEZZACHSA-N	261.325	1.322	10	20	CDCD	
Cc1noc([C@@H](C)OC(=O)c2cccc(O)c2O)n1	758572865	OANYVDCYZRRSKY-ZCFIWIBFSA-N	264.237	1.707	10	20	CDCD	
CN1CCC(ONC(=O)/C=C/c2ccc(O)c(O)c2)CC1	854358157	QKBADGGISFJHAP-HWKANZROSA-N	292.335	1.253	10	20	CDCD	
C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc(O)cs1	758348399	VAOZMPPSJIPGOV-KWQFWETISA-N	266.366	1.666	10	20	CDCD	
C[C@@H](NCc1ncn(C)n1)c1cc(F)cc(F)c1O	756779804	MIDISVMWRCDCIC-SSDOTTSWSA-N	268.267	1.650	10	20	CDCD	
CO[C@H]1C[C@H](NC(=O)c2ccc(C)c(O)c2O)C1	863669788	AVZKVQGFXWDOKB-KYZUINATSA-N	251.282	1.313	10	20	CDCD	
Cc1ccc(O)c(CN2CCN(CC[S@](C)=O)CC2)c1	769480755	PCFZHSHFCYIYFG-FQEVSTJZSA-N	296.436	1.197	10	20	CDCD	
COCC1(NC(=O)NCc2ccc(N(C)C)cc2)CC1	765302661	CYOJMXZCEUPMPG-UHFFFAOYSA-N	277.368	1.731	10	20	CDCD	
CC(C)(CO)NCc1ccc(N2CCC(O)CC2)cc1	877148197	GXEQENBCHYVNFA-UHFFFAOYSA-N	278.396	1.508	10	20	CDCD	
CC(C)[C@H]1CNCCN1C(=O)Cc1ccc(N)cc1	876997286	SBAFXVYAKAYQSG-CQSZACIVSA-N	261.369	1.268	10	20	CDCD	
C[C@H](N[C@@H](CO)c1cnn(C)c1)c1c(O)cccc1F	886557302	XWQBVCQPTIUQOZ-CABZTGNLSA-N	279.315	1.649	10	20	CDCD	
CC[C@H]1C(=O)N(CC)CCN1Cc1ccccc1O	779214522	AEOUXZLEZSDBJR-ZDUSSCGKSA-N	262.353	1.835	10	20	CDCD	
CC(=O)OC1CCN(C(=O)c2ccc(C)c(O)c2O)CC1	780995181	JRGWBMFUKWRXET-UHFFFAOYSA-N	293.319	1.574	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)N2CC[C@H]2CO)cc1	892133530	QAEHANRLSBLPOT-HNNXBMFYSA-N	291.395	1.809	10	20	CDCD	
CO[C@]1(C(=O)NCc2ccccc2O)CCSC1	896014614	AGLPQPJOMHOHAB-CYBMUJFWSA-N	267.350	1.531	10	20	CDCD	
CCn1ncnc1CN[C@H](C)c1cc([N+](=O)[O-])ccc1O	794839466	CVTQNJOMLMFXDZ-SECBINFHSA-N	291.311	1.763	10	20	CDCD	
C[C@@H](N)[C@@H]1CN(Cc2ccc(N(C)C)cc2)CCO1	132585577	SPJOQADTPRTVCZ-DOMZBBRYSA-N	263.385	1.301	10	20	CDCD	
COc1ccc(CNC(=O)N[C@@H](C)CCN(C)C)c(O)c1	792946624	RYHMOOUIOTZBOP-NSHDSACASA-N	295.383	1.540	10	20	CDCD	
O=C(CC1OCCO1)NCc1ccc(N2CCCC2)cc1	791207788	DEMCBQWWHQKQSD-UHFFFAOYSA-N	290.363	1.666	10	20	CDCD	
CC[C@@H](NC[C@@]1(O)CCOC1)c1ccccc1O	186299889	MRFQEZFFZWZTEZ-OCCSQVGLSA-N	251.326	1.584	10	20	CDCD	
COc1ccc(O)c([C@@H](C)N[C@H]2CCN(C3CC3)C2=O)c1	1320609733	JXVMIYVTHZZUTC-YGRLFVJLSA-N	290.363	1.815	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)NCCCON	1335450213	XXGCKVISFGCAMX-UHFFFAOYSA-N	280.372	1.141	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@@H]1CNCCC1(F)F	717303330	FOFYAODWLZHTQC-NSHDSACASA-N	284.306	1.595	10	20	CDCD	
COc1ccc(CNC[C@@](C)(CO)CC(=O)O)cc1C	1334853241	OOTCKWAJAAPXAZ-HNNXBMFYSA-N	281.352	1.567	10	20	CDCD	
COC[C@@H]1CCN(Cc2c(O)cccc2OC)C1	769403870	YAZRBBJRUOLIAE-LLVKDONJSA-N	251.326	1.869	10	20	CDCD	
CCc1cc(C(=O)N(C)c2ccc(N)cc2)n(C)n1	90125218	NMPRBHPMMQCCBK-UHFFFAOYSA-N	258.325	1.841	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)NCc1cnccn1	1349644382	OHSMTSWOQMNJDQ-UHFFFAOYSA-N	299.378	1.884	10	20	CDCD	
CCC[C@@H](NCc1ccc(N2CCOCC2)cc1)C(=O)O	1345196827	WRXZJXWLKALOHL-OAHLLOKOSA-N	292.379	1.866	10	20	CDCD	
C[C@@H]1COCC[C@H]1C(=O)NCc1cccc(O)c1O	1352657227	AEQOCFAZRAVJOX-MWLCHTKSSA-N	265.309	1.387	10	20	CDCD	
O=C(O)[C@H](C(=O)NCc1cc(Cl)ccc1O)C1CC1	1605897965	FLIQBTRMBSJZPT-NSHDSACASA-N	283.711	1.773	10	20	CDCD	
Cc1cc(O)c(CN2CC[C@](O)(C(=O)O)C2)cc1C	1600285379	ASXPEEALTIHAAU-CQSZACIVSA-N	265.309	1.030	10	20	CDCD	
Cc1ccc(C(=O)N[C@]2(C(=O)O)CCSC2)c(O)c1O	1610483726	HBZPIFJFXVMQJX-CYBMUJFWSA-N	297.332	1.096	10	20	CDCD	
C[C@@H]1CN(Cc2cc(F)ccc2O)CC2(CCNCC2)O1	1576807674	UQRSBTTVLZFBOH-GFCCVEGCSA-N	294.370	1.874	10	20	CDCD	
COc1ccc(CN[C@H]2CC[C@H]3C[C@H]2CN3)c(O)c1	1579216398	RTGLHFQYMZZNJZ-OBJOEFQTSA-N	262.353	1.631	10	20	CDCD	
Cc1nc2ncnn2c(NCc2ccc(N)cc2)c1C	1579874092	ZDUUWHCHTMAPQZ-UHFFFAOYSA-N	268.324	1.935	10	20	CDCD	
C[C@@H]1CN(Cc2cc(F)c(F)cc2O)C[C@@H](C(=O)O)O1	1599866516	LWXISNIZGJHLHK-KRTXAFLBSA-N	287.262	1.344	10	20	CDCD	
C[C@H](Cc1ccncc1)NC(=O)Cc1ccc(N)cc1	831062870	PQBSBXMBFUMLPC-GFCCVEGCSA-N	269.348	1.954	10	20	CDCD	
Nc1ccc(CNC(=O)[C@H]2CCc3nccn3C2)cc1	1263304022	PXFCIGGCFOZAQQ-LBPRGKRZSA-N	270.336	1.344	10	20	CDCD	
COc1cccc(CN2CCC3(CCNC3)CC2)c1O	843126307	ISDPCPPQAWHTGA-UHFFFAOYSA-N	276.380	1.976	10	20	CDCD	
COc1ccc(N(C)CC2(O)CCS(=O)(=O)CC2)cc1	844352827	JUKXNLZJAZQHSQ-UHFFFAOYSA-N	299.392	1.071	10	20	CDCD	
CCn1cc(CNCc2c(O)cccc2OC)nn1	850366344	TZORYEJXHIYCQR-UHFFFAOYSA-N	262.313	1.302	10	20	CDCD	
COc1cc(Cl)cc(CN(C)[C@H](C)CN)c1O	382999497	PHCYEHFGQZHSIT-MRVPVSSYSA-N	258.749	1.833	10	20	CDCD	
O=C(N[C@H](CO)C1CCCCC1)c1cccc(O)c1O	386039315	SJNWXQNXLBPRID-GFCCVEGCSA-N	279.336	1.769	10	20	CDCD	
CCN1C[C@@H](N[C@@H](C)c2cc(OC)ccc2O)CC1=O	391544986	PNNJKZRFNJSOJB-QWRGUYRKSA-N	278.352	1.672	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@H](C)OC)c1	103529282	VATNTMWLFPDKHQ-IUCAKERBSA-N	253.298	1.613	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)c(O)c1O	179514370	AFPZIIGSXDERTG-HONMWMINSA-N	291.347	1.950	10	20	CDCD	
CCCOc1ccc(CN(C)Cc2nnc[nH]2)c(O)c1	179796334	OGVBQQGYMLQEBK-UHFFFAOYSA-N	276.340	1.931	10	20	CDCD	
COCC[C@](C)(O)CNCc1cc(Cl)ccc1O	172072190	NKQJFWGRAWCSBH-ZDUSSCGKSA-N	273.760	1.923	10	20	CDCD	
CCN(CC(C)(C)O)C(=O)NCc1ccc(N)cc1	1353540325	SWKHDNOPRHXQGV-UHFFFAOYSA-N	265.357	1.571	10	20	CDCD	
CN(C)CC(C)(C)NCc1ccc(N2CCOCC2)cc1	308616711	RGBRPNBRKBZKBL-UHFFFAOYSA-N	291.439	1.953	10	20	CDCD	
Cc1cccc(CNCC2([S@@](C)=O)CC2)c1O	281854415	UVLKTZFVMMHALF-QGZVFWFLSA-N	253.367	1.701	10	20	CDCD	
CCOc1ccc(O)c(CNCC(F)(F)CO)c1	183882906	SNJVHBJGKWWGOG-UHFFFAOYSA-N	261.268	1.508	10	20	CDCD	
COc1ccc(N(C)CCCN2CCOCC2)cc1F	121766716	SFHASKRCPMXPJC-UHFFFAOYSA-N	282.359	1.993	10	20	CDCD	
COCCN(C)c1ccc(OCC(=O)OC)cc1	183810794	JHSFWRLBSMUCST-UHFFFAOYSA-N	253.298	1.321	10	20	CDCD	
O=C(NCCOCC1CC1)c1cccc(O)c1O	229122056	PUDNDESFUAQXJD-UHFFFAOYSA-N	251.282	1.254	10	20	CDCD	
COC[C@@H](CNCc1c(O)cccc1Cl)OC	227706743	FPRDJWDRBLWEFT-SECBINFHSA-N	259.733	1.797	10	20	CDCD	
CCOc1ccc(O)c(CN(C)CC(C)(CO)CO)c1	93502857	XDUPWUKROKEDLY-UHFFFAOYSA-N	283.368	1.214	10	20	CDCD	
CCOc1ccc(O)c(CN(C)C[C@H](C)C(=O)NC)c1	93899574	KKMRJIFNSWQIMJ-NSHDSACASA-N	280.368	1.605	10	20	CDCD	
COc1cccc(CN[C@@]2(CCO)CCOC2)c1O	278544496	YAGQELGBCMYQOO-AWEZNQCLSA-N	267.325	1.032	10	20	CDCD	
CCc1nn(C)cc1NC(=O)c1ccc(C)c(O)c1O	273068645	ZPVPJCUVRQJKBW-UHFFFAOYSA-N	275.308	1.954	10	20	CDCD	
CCN1CCCN(Cc2ccc(N(C)C)c(F)c2)CC1=O	276281565	ZKZOXBTYIKOOOE-UHFFFAOYSA-N	293.386	1.946	10	20	CDCD	
Cc1ccc([C@H](C)NCCOCCO)c(O)c1C	273445999	ZUXNKSXETOJNSW-LBPRGKRZSA-N	253.342	1.669	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@H]2C[C@]23CCOC3)cc1F	372020915	PFJIAMDNTMFXRN-WBMJQRKESA-N	292.354	1.935	10	20	CDCD	
Cn1ncc(COc2ccc(N3CCCC3)cc2)n1	289418252	QFLPDIWDLIMOBA-UHFFFAOYSA-N	258.325	1.994	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NCC1=CCCOC1	292417877	UWSPVDNRQHYHIT-GQCTYLIASA-N	275.304	1.574	10	20	CDCD	
C[C@@H]1C[C@@H](C)N(Cc2cc3c(cc2O)OCO3)C[C@H]1CN	817864846	DVDKCQBQSNGVOB-NQBHXWOUSA-N	292.379	1.926	10	20	CDCD	
CCC(=O)N1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1	819671509	HKNGWWXQMILVRE-GQCTYLIASA-N	290.319	1.149	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2ccn(C)n2)cc1	727298706	UYIDYMNZCGXEIM-UHFFFAOYSA-N	258.325	1.416	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)N[C@@H]2CCCNC2)c1	817942372	YCIYDHLWNWGYKK-ZYHUDNBSSA-N	278.352	1.581	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)C2(C(C)C)COC2)c1	827167052	NVCZCCULGQJNKQ-UHFFFAOYSA-N	263.337	1.989	10	20	CDCD	
O=C(O)CCCCNCc1cc2c(cc1O)OCO2	821521554	JGPZGTVMGXGSTP-UHFFFAOYSA-N	267.281	1.465	10	20	CDCD	
C[C@@H](NC(=O)CCc1cnn[nH]1)c1ccccc1O	827952247	KZIGEGJYZAGHMC-SECBINFHSA-N	260.297	1.320	10	20	CDCD	
CN(C)c1ccc(CNC(=O)C[C@@H]2CCOC2)cc1F	739536762	OZCDICIQVSZWMV-LBPRGKRZSA-N	280.343	1.935	10	20	CDCD	
COc1ccc(CNC(=O)NC[C@H]2CC[C@H](C)O2)c(O)c1	838743261	XCQBJNOBNIYSKD-GXFFZTMASA-N	294.351	1.768	10	20	CDCD	
CC(C)(C)OC(=O)CNC(=O)c1cc(O)cs1	734554953	JLFVTLRBLOWLDL-UHFFFAOYSA-N	257.311	1.525	10	20	CDCD	
COc1cc2c(c(OC)c1)N(Cc1cnn(C)n1)CCC2	839656107	HGEZEXRHDJRCDX-UHFFFAOYSA-N	288.351	1.785	10	20	CDCD	
C[C@@H](OC[C@H]1CCCO1)C(=O)NCc1ccc(O)cc1O	910955186	OIQAIYODSFIAND-ZWNOBZJWSA-N	295.335	1.298	10	20	CDCD	
C[C@@H](NC(=O)NC[C@H]1CCCN1)c1ccc(N(C)C)cc1	841881990	FXUMAISXNNEFRA-TZMCWYRMSA-N	290.411	1.865	10	20	CDCD	
Cc1c[nH]cc1C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1	843298507	NUKCNFTYJJZHHE-OAHLLOKOSA-N	286.379	1.819	10	20	CDCD	
CC[C@H](C)OCC(=O)NCc1ccc(O)cc1O	910949814	QHIGMXUSHIJVIW-VIFPVBQESA-N	253.298	1.529	10	20	CDCD	
Cc1cc(CN(C)c2ccc(OCC(=O)O)cc2)nn1C	846279902	POGSPECOVDTGAZ-UHFFFAOYSA-N	289.335	1.828	10	20	CDCD	
COc1ccc(N(C)C[C@H](O)COC[C@@H]2CCCO2)cc1	844353612	RTKIYMLCIBMSSP-HOCLYGCPSA-N	295.379	1.688	10	20	CDCD	
CCN1C[C@H](CNCc2ccc(OC)c(C)c2)CC1=O	846094424	TVTFCFCQZLAMRR-AWEZNQCLSA-N	276.380	1.962	10	20	CDCD	
C[C@@H]1C[C@H](NC(=O)c2cc(O)cs2)CCN1C	743638985	TXDKJZPSVDYLRB-RKDXNWHRSA-N	254.355	1.666	10	20	CDCD	
CCNS(=O)(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C	841569631	MSKVHJRVMBAYQE-LBPRGKRZSA-N	299.440	1.436	10	20	CDCD	
COc1ccc(N(C)CC(=O)Nc2nncs2)cc1	844352957	LDPJJFCZTOMDHP-UHFFFAOYSA-N	278.337	1.622	10	20	CDCD	
COc1cc(O)c(CNCC2(N)CCCC2)cc1OC	849350130	RGGMPBDGFBNFDA-UHFFFAOYSA-N	280.368	1.771	10	20	CDCD	
C[C@H]1OC(=O)N[C@@H]1C(=O)NCc1cc(Cl)ccc1O	846474547	UZOXMONYWJQWBU-LDWIPMOCSA-N	284.699	1.159	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNCc2ccno2)c1O	843402185	BTRTUEKPIBBDLS-UHFFFAOYSA-N	279.252	1.587	10	20	CDCD	
CN[C@@H]1CCN(Cc2cc(OC)c(OC)cc2O)C1	843044824	KPAQOUDCTPTKGD-LLVKDONJSA-N	266.341	1.203	10	20	CDCD	
C[C@@H](CN)CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1	841882518	JSNUMIRXZHPDSJ-RYUDHWBXSA-N	278.400	1.708	10	20	CDCD	
CC(C)[C@@H](C(=O)O)C(=O)N(C)Cc1ccccc1O	844246875	YJCJPLSDLHSLMZ-GFCCVEGCSA-N	265.309	1.707	10	20	CDCD	
CC[C@H](NC(=O)Cc1ccc(N)cc1)[C@@H]1CCCO1	846684804	SDYURNVPCSBGCT-KBPBESRZSA-N	262.353	1.885	10	20	CDCD	
CCC[C@@H](O)[C@H](CO)NCc1ccc2c(c1)CCCO2	922183270	QHMKFVLZMCWAAD-LSDHHAIUSA-N	279.380	1.623	10	20	CDCD	
COCC[C@H](CO)NCc1cc(F)c(N(C)C)cc1F	858161638	CIBINVLJKOTAAQ-LLVKDONJSA-N	288.338	1.518	10	20	CDCD	
Cc1ccc(C(=O)NCC[C@H](C)N(C)C)c(O)c1O	855416247	UVZKJAYFHOHJEB-JTQLQIEISA-N	266.341	1.476	10	20	CDCD	
O=C(NCC1CCS(=O)(=O)CC1)c1cc(O)cs1	756810905	UCJSIPNXOQRSDC-UHFFFAOYSA-N	289.378	1.008	10	20	CDCD	
CN(Cc1c(O)ccc(Cl)c1F)[C@]1(CO)CCOC1	862426309	DKDIAMHAPQHYFQ-ZDUSSCGKSA-N	289.734	1.768	10	20	CDCD	
CN(C(=O)c1cc(O)nc(C2CC2)n1)c1ccc(N)cc1	877075992	ICCUWHSJIWVCFT-UHFFFAOYSA-N	284.319	1.918	10	20	CDCD	
CN1CCCC[C@@H](C(=O)Nc2ccc(N)cc2)C1=O	876504814	XRMCIAJMSLRJGX-LBPRGKRZSA-N	261.325	1.466	10	20	CDCD	
CC1(CC(=O)N(CC(=O)O)Cc2ccccc2O)CC1	1119653836	LUVRXZHWIQMBGX-UHFFFAOYSA-N	277.320	1.996	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCCN2CCC[C@H]2C1	1118555757	NVJAZIZFDAZPAG-JTQLQIEISA-N	266.366	1.764	10	20	CDCD	
Cc1ccc(CNCCCN2CCC[C@H]2C(N)=O)c(O)c1	877652307	UMQQUCDWEZTNJK-AWEZNQCLSA-N	291.395	1.130	10	20	CDCD	
Cc1ccc(CN2CCN(C(=O)N(C)C)CC2)c(O)c1	876575419	DJZAOPZYVJCSHN-UHFFFAOYSA-N	277.368	1.500	10	20	CDCD	
C=Cn1cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)cn1	772176522	NGOOUQINEKVFFK-BAQGIRSFSA-N	295.345	1.269	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H]1CCn2ccnc2C1	779213167	DGDBAYWNGGVBHN-DTRQGZQOSA-N	299.330	1.439	10	20	CDCD	
COC(=O)N(C)CCN[C@@H](C)c1c(O)cccc1F	886637621	AYBHJIMKVQNTCR-VIFPVBQESA-N	270.304	1.880	10	20	CDCD	
CCn1cc(CN[C@@H](C)c2c(O)cccc2F)nn1	886637880	HDJIUJVZCPTSHV-VIFPVBQESA-N	264.304	1.994	10	20	CDCD	
O=C(CC1(O)CCCC1)OCC(=O)c1ccc(O)c(O)c1	783723907	POUWDJPQVDSWFJ-UHFFFAOYSA-N	294.303	1.519	10	20	CDCD	
COC[C@@H](NCc1ccc(OC)c(OC)c1O)C1CC1	893181365	IGUCIWQRNYEXHE-GFCCVEGCSA-N	281.352	1.924	10	20	CDCD	
C[C@@H](NCc1ccc(N(C)C)cc1C(F)(F)F)C(N)=O	793185259	IOWJUYVNRODTQT-MRVPVSSYSA-N	289.301	1.735	10	20	CDCD	
O=C(NO[C@H]1CCCCO1)c1cccc(O)c1O	274985210	QOPVCBAJXONXED-JTQLQIEISA-N	253.254	1.286	10	20	CDCD	
O=C(Cc1ccc(O)cc1)NCc1ccccc1O	82284435	TVLDXXXLEMLOPN-UHFFFAOYSA-N	257.289	1.957	10	20	CDCD	
Nc1ccc(CN2CCN(Cc3cccnc3)CC2)cc1	1334753978	KTJINIQDYCOIJW-UHFFFAOYSA-N	282.391	1.982	10	20	CDCD	
CCOC(=O)C(C)(C)ONC(=O)c1cc(O)cs1	1261741298	JOWUNCUZJWDWQS-UHFFFAOYSA-N	273.310	1.457	10	20	CDCD	
Cc1cc(C)c(O)c(CN2CCOC[C@H]2CC(=O)O)c1	1607620818	JPGQHYWTSXADEY-CYBMUJFWSA-N	279.336	1.685	10	20	CDCD	
O=C(O)CCN(Cc1cccc(F)c1O)C[C@H]1CCCO1	1608722306	OBIHPSLPRMGYDP-GFCCVEGCSA-N	297.326	1.987	10	20	CDCD	
NCc1nccnc1Sc1ncc(C(=O)O)s1	1601192200	QGZNNLMLATZVDY-UHFFFAOYSA-N	268.323	1.241	10	20	CDCD	
Cn1cc(CN2Cc3cccc(O)c3C2)cc1C(=O)O	1600953315	ALKPUFOJJMJZGQ-UHFFFAOYSA-N	272.304	1.945	10	20	CDCD	
CN(CC(=O)OC(C)(C)C)c1ccc(OCC(=O)O)cc1	1606088911	RARMBXOYXKJSQP-UHFFFAOYSA-N	295.335	1.928	10	20	CDCD	
O=C(NCc1c(O)cccc1F)[C@H]1CC[C@H]1C(=O)O	1594767962	RKWRACKVXIIFOJ-JGVFFNPUSA-N	267.256	1.258	10	20	CDCD	
CCN(CC)c1ccc(CNCCNS(C)(=O)=O)cc1	20203682	ZUZAHNRUZVGFTI-UHFFFAOYSA-N	299.440	1.172	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@H]2CCCCN2)cc1F	166459726	GWCXDTTWQVDRGN-ZDUSSCGKSA-N	279.359	1.650	10	20	CDCD	
C[C@@H](N)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	157312121	OTJPBFAIXCMAKA-DGCLKSJQSA-N	278.352	1.247	10	20	CDCD	
C[C@@H](NC(=O)CN1CSCC1=O)c1ccccc1O	827923772	ZPAJGTRHXSGIFG-SECBINFHSA-N	280.349	1.102	10	20	CDCD	
COC(=O)C1CCN(C(=O)c2cccc(O)c2O)CC1	126185934	YCTWJVPDTSVCBL-UHFFFAOYSA-N	279.292	1.123	10	20	CDCD	
COc1ccc(O)c(CNCC2(CO)CCC2)c1	183232727	NXODQVUBQSKNPS-UHFFFAOYSA-N	251.326	1.653	10	20	CDCD	
CN(CC1=CCCOC1)C(=O)c1cccc(O)c1O	696901411	FBULXVVTUDANDN-UHFFFAOYSA-N	263.293	1.517	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)[C@H](C)n1cncn1	172205804	NRRMXHFVADPJAS-LBPRGKRZSA-N	288.351	1.984	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCCCO1	186406453	XCBYJGQLCYYYAB-QMTHXVAHSA-N	279.336	1.714	10	20	CDCD	
COc1cc(O)c(CNCC2(CO)CCC2)cc1OC	183234056	IDZRNWRXALUACL-UHFFFAOYSA-N	281.352	1.662	10	20	CDCD	
CC1(C)NC(=O)N(CCCSc2nccs2)C1=O	48876272	IRYVRFIQKJUHJN-UHFFFAOYSA-N	285.394	1.956	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)c1ccc2nncn2c1	130164001	AEMPUYKMGCDUDT-UHFFFAOYSA-N	282.303	1.707	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCO[C@@H](c2ccco2)C1	193130558	MPODYHZNVPDYHI-CYBMUJFWSA-N	289.287	1.905	10	20	CDCD	
O=C(NC[C@H]1CCSC1)c1cccc(O)c1O	228578617	FUZXWUSEHVJNST-MRVPVSSYSA-N	253.323	1.581	10	20	CDCD	
COc1ccc(O)c(CN2CC[C@H](N)[C@@H](C)C2)c1	94339080	DPCZEUXCZUOMLI-GWCFXTLKSA-N	250.342	1.570	10	20	CDCD	
CCOc1cccc(CN2C[C@H](C)O[C@@H](CO)C2)c1O	249367994	OPWKFOGHZPMMTG-WCQYABFASA-N	281.352	1.373	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@@H]2C[C@]23CCOC3)c1	363806082	VMFAFXPYUSIKOQ-WFASDCNBSA-N	277.320	1.444	10	20	CDCD	
CCOc1cccc(CNCC2(O)CC(OCC)C2)c1O	277791807	WJRUFVPQLBTISW-UHFFFAOYSA-N	295.379	1.811	10	20	CDCD	
CCC[C@H](O)CN[C@@H](C)c1cc(C(=O)OC)ccc1O	273557793	HHRUNZQETUINHH-JQWIXIFHSA-N	281.352	1.990	10	20	CDCD	
COC(=O)C[C@@H]1CN(Cc2cc(OC)ccc2O)CCO1	271754681	CMQUBZZGFHACJD-CYBMUJFWSA-N	295.335	1.165	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)NCCC1(O)CCC1	287850535	LRSYJZCJNYDRAR-UHFFFAOYSA-N	278.352	1.839	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1cc(C=O)c[nH]1	293402640	KPSJBYXVGZYPKA-UHFFFAOYSA-N	299.330	1.932	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CC1(F)F	295771349	PVMMSSKXIUGFMI-IONNQARKSA-N	271.263	1.800	10	20	CDCD	
CNC(=O)C1CCN(Cc2cc(C)cc(OC)c2O)CC1	813062975	SIVRIPIUAABSRC-UHFFFAOYSA-N	292.379	1.667	10	20	CDCD	
CCOCC(=O)NC1CCN(c2ccc(OC)cc2)CC1	726562803	WEIQHBGZLCQODE-UHFFFAOYSA-N	292.379	1.817	10	20	CDCD	
C[C@@H](CC(=O)O)C(=O)N(C)Cc1ccccc1O	827248142	URDPXSJHTWWHJV-VIFPVBQESA-N	251.282	1.461	10	20	CDCD	
C[C@@H]1C[C@H](O)CN(Cc2ccc(N3CCOCC3)cc2)C1	825311910	PQXWZTABAOYDAT-PBHICJAKSA-N	290.407	1.726	10	20	CDCD	
COc1cccc(CN(CCOCCO)C2CCC2)c1O	827209649	DGFYOIBNIZKZLJ-UHFFFAOYSA-N	295.379	1.764	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)CNCC2CC2)c1	828667875	VRYQBCGVCLSODK-SNVBAGLBSA-N	278.352	1.578	10	20	CDCD	
C[C@@H](NC(=O)[C@@H](C)[C@@H](C)S(C)(=O)=O)c1ccccc1O	827946729	QPZJDSVMVCFXLX-HBNTYKKESA-N	299.392	1.639	10	20	CDCD	
COC[C@H](O)CCNCc1cc(Cl)c(C)cc1O	825391641	ZVXKMTWVXHQXMB-LLVKDONJSA-N	273.760	1.841	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)C[C@H](C)N)c1	828666157	ATAQORDWBOPCAP-IUCAKERBSA-N	252.314	1.315	10	20	CDCD	
O=C(NCCCO[C@H]1CCCCO1)c1cccc(O)c1O	839750179	LKBQZSGCEKOVJQ-ZDUSSCGKSA-N	295.335	1.761	10	20	CDCD	
COC[C@@]1(CO)CCN(Cc2ccc(N(C)C)c(C)c2)C1	832401061	RRGDVMAWQSKVCG-KRWDZBQOSA-N	292.423	1.892	10	20	CDCD	
C/C=C(\C)C(=O)N(CC(=O)O)Cc1ccccc1O	911485727	KGQGGMUVKYXFNO-XCVCLJGOSA-N	263.293	1.772	10	20	CDCD	
CCO[C@H]1C[C@@H](NCc2ccc([N+](=O)[O-])c(OC)c2O)C1	839147821	RWPUJIKLURAYGP-PHIMTYICSA-N	296.323	1.966	10	20	CDCD	
COc1cc(O)c(CN[C@H](C)C(=O)NC(C)C)cc1OC	840975458	YLAVQDPOLFXONL-SNVBAGLBSA-N	296.367	1.412	10	20	CDCD	
Nc1ccc(CC(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)cc1	843495883	UXKIRUMEQUCWPE-FVQBIDKESA-N	286.375	1.885	10	20	CDCD	
COc1ccc(N(C)CCN(C)CC[S@@](C)=O)cc1	844401846	NRDXSBTYFNYKMM-LJQANCHMSA-N	284.425	1.442	10	20	CDCD	
COc1ccc([C@@H]2NC3(CCCC3)C(=O)N2C)c(O)c1	742440258	SQRDKVRSMZVLHH-CYBMUJFWSA-N	276.336	1.774	10	20	CDCD	
CCc1cccc(CN[C@@H]2CCc3nnnn3CC2)c1O	848918251	UHEAOYIOKGBWNX-CYBMUJFWSA-N	287.367	1.436	10	20	CDCD	
C[C@H](N)CNC(=O)NCc1ccc2c(c1)CCCN2C	841758189	FNIGYPCEEFCDNB-NSHDSACASA-N	276.384	1.215	10	20	CDCD	
CC[C@@H]1CN(Cc2cc3c(cc2O)OCO3)CC[C@H]1N	843053666	QBLUCGODVBCCFH-ZYHUDNBSSA-N	278.352	1.680	10	20	CDCD	
CN1CCC[C@@H]1C(=O)NCc1cc(Cl)ccc1O	846476705	OVAZWMBUXPUHIT-LLVKDONJSA-N	268.744	1.756	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H]2CCCNC2)c1	841943587	RLCCJCFNOUUYIX-GHMZBOCLSA-N	293.367	1.513	10	20	CDCD	
C[C@H]1OCC[C@@H]1NCc1ccc(N2CCC(O)CC2)cc1	850406389	FNNCVGFUGYRFKW-DYVFJYSZSA-N	290.407	1.915	10	20	CDCD	
CCOC(=O)/C(=C\c1cccnc1)c1nccn1C	920070535	UBTJSBCTGSZKRT-XFXZXTDPSA-N	257.293	1.919	10	20	CDCD	
Cc1ccc(C(=O)NCCc2c(C)n[nH]c2C)c(O)c1O	854867240	FMJUUYWHOMXOBJ-UHFFFAOYSA-N	289.335	1.719	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)N[C@H]2CCOC2)c1	858315934	ZQINEBQPZCDNRO-NSHDSACASA-N	250.298	1.289	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)OCC[C@H]1CCOC1=O	759597467	ZSNCKWJQLUMUOP-FWEMWIAWSA-N	292.287	1.607	10	20	CDCD	
CN(CC(=O)N(C)C)Cc1cc(F)c(N(C)C)cc1F	862211896	DGLJIPAXNHPIFC-UHFFFAOYSA-N	285.338	1.551	10	20	CDCD	
CC(C)(O)[C@@H]1CCCN1C(=O)c1cc(O)cs1	768729789	MEBIKHJFAJNUKJ-JTQLQIEISA-N	255.339	1.829	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)CCCC(=O)N(C)C)c1	862760843	WHQPHASWHGEGFZ-UHFFFAOYSA-N	278.352	1.575	10	20	CDCD	
COc1cccc(O)c1CN(C)C[C@@H]1CCN(C(C)=O)C1	770381145	ODEWJHGOJNGGTP-ZDUSSCGKSA-N	292.379	1.701	10	20	CDCD	
CCN1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C[C@@H]1C	779542256	OBMMSNUZEMBFBU-PZBABLGHSA-N	290.363	1.664	10	20	CDCD	
OCCCN(Cc1ccccc1O)C[C@@H]1CCCO1	70976406	AIFMYUGCVWQZJR-AWEZNQCLSA-N	265.353	1.756	10	20	CDCD	
CC(C)CO[C@H](C)C(=O)NCc1ccc(O)c(O)c1	778925715	PBLFDLHBJXXUFV-SNVBAGLBSA-N	267.325	1.775	10	20	CDCD	
CCOc1ccc(N(C)Cc2nc(=O)n(C)[nH]2)cc1	779222621	STIKIJMRORNIJN-UHFFFAOYSA-N	262.313	1.144	10	20	CDCD	
CN(C)C[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1	779522574	UVWDZBAVHYARLX-DIECRNLCSA-N	290.363	1.521	10	20	CDCD	
C[C@@H]1CCN(Cc2ccc(N)cc2)CCS1(=O)=O	1120269705	ZKNZGQFEDIGFBZ-LLVKDONJSA-N	268.382	1.278	10	20	CDCD	
CC[C@H](N)c1cn(Cc2cc(F)cc(C(C)=O)c2O)nn1	880996054	NBPCFUNOKAHMQH-LBPRGKRZSA-N	292.314	1.784	10	20	CDCD	
CC[C@H]1CN(C(=O)NCc2ccc(N)cc2)CCCO1	1120592181	RCRAIHOVSPMYEV-AWEZNQCLSA-N	277.368	1.979	10	20	CDCD	
CN1C(=O)C(=Cc2cccc3c2OCC3)C(=O)N(C)C1=O	899336257	RAVGBESFPYGKSA-UHFFFAOYSA-N	286.287	1.055	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)CSCC(C)=O)c1	787447445	ZSKSXWCOYUFYFD-JTQLQIEISA-N	297.376	1.900	10	20	CDCD	
COc1ccc(O)c(CN2[C@@H](C)[C@H](C)N(C)C(=O)[C@H]2C)c1	895922793	TVYXBXJQSMZHHC-SDDRHHMPSA-N	292.379	1.840	10	20	CDCD	
Cc1cccc(O)c1CN1CCC(n2cnnc2O)CC1	894610333	AIKMPUYGNJUKRT-UHFFFAOYSA-N	288.351	1.835	10	20	CDCD	
COc1cc(C)cc(CNCCC[C@@H](C)O)c1O	894590164	YIAIJOXSHZBIOY-LLVKDONJSA-N	253.342	1.960	10	20	CDCD	
COc1ccc(CNC(=O)[C@@H](O)c2ccccc2)c(O)c1	794379614	RPZFWXGLZAMNNC-HNNXBMFYSA-N	287.315	1.751	10	20	CDCD	
O=C(Nc1ccn(-c2ccncc2)n1)c1cccc(O)c1O	790711952	QBLRLQXZQBCMIC-UHFFFAOYSA-N	296.286	1.931	10	20	CDCD	
COc1ccc(CNC(=O)Nc2cc(C)n(C)n2)c(O)c1	797637380	PFTWHIISXLJWSU-UHFFFAOYSA-N	290.323	1.764	10	20	CDCD	
COc1ccc(O)c(CN2CCN(C[C@H](C)O)C[C@H]2C)c1	793586191	GQEATZZQLWNLOZ-OLZOCXBDSA-N	294.395	1.288	10	20	CDCD	
C[C@@H]1CN(Cc2c(O)ccc(Cl)c2F)C[C@H](CO)O1	792181214	YAAIRAULMCDDJK-RKDXNWHRSA-N	289.734	1.766	10	20	CDCD	
Cc1nn(C)c(NCc2ccccc2O)c1[N+](=O)[O-]	134665360	XXKNJQOHHAXJPC-UHFFFAOYSA-N	262.269	1.954	10	20	CDCD	
CCc1cccc(CNCC2([S@@](C)=O)CC2)c1O	691450876	ZWELCPBFWBJMRE-GOSISDBHSA-N	267.394	1.955	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](C)n1ccnc1	1320690107	DYLGZRCTISGXLS-WDEREUQCSA-N	289.335	1.603	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)C(=O)NC[C@H]1CC1(C)C	1326621904	AIWWIRREEAZIKK-GFCCVEGCSA-N	290.363	1.513	10	20	CDCD	
CN(C)c1ccc(CN2C[C@@H](F)C[C@H]2C(=O)O)cc1	903617850	VRGOIEVNSXTDMU-AAEUAGOBSA-N	266.316	1.750	10	20	CDCD	
CCn1ncnc1CN(C)Cc1ccc(N(C)C)cc1	785632410	KOEMNUHAASXXDX-UHFFFAOYSA-N	273.384	1.996	10	20	CDCD	
COCC1CCN(Cc2cc3c(cc2O)OCO3)CC1	96487843	UKWNBSKIFGOGPS-UHFFFAOYSA-N	279.336	1.979	10	20	CDCD	
O=C(O)[C@@H]1CC[C@H](NCc2cc([N+](=O)[O-])ccc2O)C1	1331960563	SYNSCZIXSNWAQZ-SCZZXKLOSA-N	280.280	1.643	10	20	CDCD	
CC[C@@H]1NCC[C@@H]1C(=O)NCc1c(O)cccc1F	1344820650	BHDSMHSUNNPGQF-CABZTGNLSA-N	266.316	1.536	10	20	CDCD	
O=C(O)[C@H](NCc1ccc2c(c1)CCCO2)[C@@H]1CCOC1	1355405183	IIJGCNBOYWUTSE-UKRRQHHQSA-N	291.347	1.591	10	20	CDCD	
C[C@](CN)(NC(=O)c1ccc(N=NC(N)=O)cc1)C1CC1	1575976941	YZAJAZOTIOKUDV-CQSZACIVSA-N	289.339	1.706	10	20	CDCD	
CN(C)c1ccc(/C=C/CNC[C@]2(O)CCNC2)cc1	1578425863	PPCYEJATVQIHQD-QDLOVBKTSA-N	275.396	1.080	10	20	CDCD	
CC(C)(NC(=O)c1cc2cc(O)c(O)cc2s1)C(=O)O	1588791391	WTZHFIQIHCDCAB-UHFFFAOYSA-N	295.316	1.906	10	20	CDCD	
C[C@H](NC[C@H]1CCCCN1)c1cc(C(=O)O)ccc1O	1593252079	NHPMECIIKMJWCV-CMPLNLGQSA-N	278.352	1.883	10	20	CDCD	
COCC(=O)N[C@H](C)[C@H](C)NCc1ccc(OC)c(C)c1	1755223176	HIDAHHQKARFLJS-QWHCGFSZSA-N	294.395	1.633	10	20	CDCD	
CCOCCN[C@H](C)c1cccc(-c2nn[nH]n2)c1O	1590813293	LGYGXLBVZBXKDH-SECBINFHSA-N	277.328	1.259	10	20	CDCD	
C[C@H](CNCc1ccc(N2CC[C@@H](O)C2)cc1)CC(=O)O	1776425360	QFFPJIMAQHAWDF-SWLSCSKDSA-N	292.379	1.458	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCNC(=O)C1	160002201	OXNMMEJONYVJRY-ZDUSSCGKSA-N	289.379	1.237	10	20	CDCD	
CO[C@@]1(CNCc2ccc3c(c2)CCCO3)CCOC1	921999172	IQIPZOCCALYBSY-MRXNPFEDSA-N	277.364	1.907	10	20	CDCD	
C[C@@H](NCc1nnn(C(C)(C)C)n1)c1ccccc1O	846846787	XKERYLQYNGVYRK-SNVBAGLBSA-N	275.356	1.985	10	20	CDCD	
COc1cccc(CN2C[C@H]3[C@H](N)CCC[C@H]3C2)c1O	228535561	MKWMTDCGXFYMIS-IACUBPJLSA-N	276.380	1.960	10	20	CDCD	
C[C@@H](NCC1(S(C)(=O)=O)CC1)c1cc(F)ccc1O	281292232	YDPDAXLAHSQJRQ-SECBINFHSA-N	287.356	1.759	10	20	CDCD	
COCCOCCCNCc1ccc(N(C)C)cc1	20191640	NMUIOHGDBDOKOO-UHFFFAOYSA-N	266.385	1.895	10	20	CDCD	
COCCCC(=O)NCc1cc(OC)ccc1O	114542022	RQJDHHXWSAWDBP-UHFFFAOYSA-N	253.298	1.444	10	20	CDCD	
Cc1ccc(C(=O)N(C)CC2CCOCC2)c(O)c1O	182967989	VZBYKUWYACRUBL-UHFFFAOYSA-N	279.336	1.905	10	20	CDCD	
Oc1ccc(F)cc1CN1CC[C@@H](CN2CCOCC2)C1	180200601	JNUHXOMKWOMMFM-ZDUSSCGKSA-N	294.370	1.685	10	20	CDCD	
Cc1ccc(O)c([C@@H](C)NC[C@@]2(O)CCOC2)c1	186177599	ZFWRFAQUJIQDOK-RISCZKNCSA-N	251.326	1.503	10	20	CDCD	
CCCCCNC=C1C(=O)N(CC)C(=S)N(CC)C1=O	48402890	RXAXPSUBYAAVMN-UHFFFAOYSA-N	297.424	1.646	10	20	CDCD	
C[C@H](NC[C@@]1(O)CCOC1)c1cc(F)ccc1O	186178727	WKWJYJPCVAVJCC-ZANVPECISA-N	255.289	1.333	10	20	CDCD	
Cc1cc(C(=O)O[C@@H](C)C(N)=O)c(C)n1-c1ccccn1	193010806	GFWNLAIIDXOJKK-NSHDSACASA-N	287.319	1.520	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CC[C@@H](C2CCOCC2)C1	365962415	DARCIZWIYOIZIQ-GFCCVEGCSA-N	291.347	1.987	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)CCc1cnccn1	279974053	QHBPCQKRFURVST-UHFFFAOYSA-N	271.320	1.773	10	20	CDCD	
COC(=O)C(C)(C)CCNCc1cc2c(cc1O)OCO2	285428014	HFSQZPMEKIZVPO-UHFFFAOYSA-N	295.335	1.800	10	20	CDCD	
CO[C@@H](C(=O)NCc1ccccc1O)c1cnn(C)c1	282910587	XETZDQISUFXPNF-CYBMUJFWSA-N	275.308	1.130	10	20	CDCD	
OC[C@H](CNCc1cc(F)ccc1O)[C@H]1CCOC1	280443721	CUYBVYUFPQLSBZ-JQWIXIFHSA-N	269.316	1.266	10	20	CDCD	
Cc1cc(C)c([C@@H](C)NCC(=O)N2CCOCC2)c(O)c1	294860357	SXZAQXSTXIMVOB-CYBMUJFWSA-N	292.379	1.518	10	20	CDCD	
Cc1nc([C@H](C)NC(=O)/C=C\c2ccc(O)c(O)c2)n[nH]1	804812814	AKZGWNROAKNXAP-HORMHSFOSA-N	288.307	1.415	10	20	CDCD	
Cc1cc(CN2CCNC(=O)[C@H]2C)ccc1N(C)C	292958135	CLXONWKQEDBNKN-GFCCVEGCSA-N	261.369	1.381	10	20	CDCD	
CC(=O)C(=O)COC(=O)CCCOc1ccccc1	808483254	IIMKGHKQQZPYOJ-UHFFFAOYSA-N	264.277	1.547	10	20	CDCD	
Cc1ccc([C@H](C)NCCN2CCNCC2)c(O)c1	817945309	ZFYVBRHQPUGGQF-ZDUSSCGKSA-N	263.385	1.256	10	20	CDCD	
C[C@H](NC(=O)c1cccc(O)c1O)[C@@H](O)c1ccccc1	811541333	YLDSLMCSOXOZRW-IINYFYTJSA-N	287.315	1.950	10	20	CDCD	
C[C@H](N[C@H](C)CN)c1ccc(N2CCOCC2)c(F)c1	817966242	JOQBGXUHCWVDMT-NEPJUHHUSA-N	281.375	1.660	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)C1(Br)CC1	821070982	RPYRTXSSMCMQLK-UHFFFAOYSA-N	286.125	1.642	10	20	CDCD	
Cc1n[nH]cc1CN(C)C(=O)c1cc(O)cs1	824057524	SVQJGGDYGAJSBK-UHFFFAOYSA-N	251.311	1.757	10	20	CDCD	
CCOC(=O)CN(CC[C@@H](C)O)Cc1ccccc1O	823575998	GPKNXARBIOBOHC-GFCCVEGCSA-N	281.352	1.528	10	20	CDCD	
Cc1cc(CN2CCNC(=O)C2)ccc1N1CCCCC1	827297500	BMNWOGGTOVLCPR-UHFFFAOYSA-N	287.407	1.917	10	20	CDCD	
CCCCS(=O)(=O)CC(=O)NCc1cc(C)ccc1O	827165996	DHZMXKIBFTYICI-UHFFFAOYSA-N	299.392	1.532	10	20	CDCD	
CC(C)[C@@H](NC(=O)O)C(=O)N(C)Cc1ccccc1O	736362007	LKBUITVPOBFYIL-GFCCVEGCSA-N	280.324	1.643	10	20	CDCD	
COc1cccc(CN[C@@H]2C[C@@H]3CCCCN3C2=O)c1O	835075126	VTSQJZXWEINURO-QWHCGFSZSA-N	290.363	1.644	10	20	CDCD	
CCS(=O)(=O)CCCNCc1cc(C)c(C)cc1O	840973388	LPRBOYGUQZSZJB-UHFFFAOYSA-N	285.409	1.923	10	20	CDCD	
C[C@H](NC(=O)NC[C@@H](C)N)c1ccc(N(C)C)cc1	841881093	NYAOSAQWXRTEOC-MNOVXSKESA-N	264.373	1.460	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)NC[C@H](C)N)cc1F	841799149	QEDLJTGQCXAHEG-NSHDSACASA-N	296.390	1.818	10	20	CDCD	
Nc1ccc(NC(=O)NCC(=O)NC2CCCCC2)cc1	841301594	VZRDZLRQXMNXKS-UHFFFAOYSA-N	290.367	1.839	10	20	CDCD	
CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(N)cc2)CCCO1	841124241	IVQXAUSNLGTXPV-CYBMUJFWSA-N	291.351	1.235	10	20	CDCD	
Oc1cc2c(cc1CN1C[C@@H]3[C@@H](C1)C3(F)F)[C@H](O)CO2	844758556	TXADFAZTCOLBQR-CKYFFXLPSA-N	283.274	1.515	10	20	CDCD	
COc1cccc([C@H](C)NC[C@]2(O)CCOC2)c1O	846155657	BODYRMWFVGADEE-IINYFYTJSA-N	267.325	1.203	10	20	CDCD	
CCn1cnnc1NCc1ccc(N2CCOCC2)cc1	922659177	DBBXPNYMYFEUHA-UHFFFAOYSA-N	287.367	1.747	10	20	CDCD	
COc1ccc(N2CCN(C(=O)[C@@H](O)C3CC3)CC2)cc1	854199235	YOCAZXMEBNLFRE-HNNXBMFYSA-N	290.363	1.115	10	20	CDCD	
C[C@H](NCC1(CO)COC1)c1cc(F)cc(F)c1O	756761499	QBQKTJSXWYBODJ-QMMMGPOBSA-N	273.279	1.330	10	20	CDCD	
COCC[C@H](C)S(=O)(=O)N(C)Cc1ccccc1O	766502937	QFXHNQKCFIYMIW-NSHDSACASA-N	287.381	1.579	10	20	CDCD	
CCN(Cc1cc2c(cc1O)OC[C@H]2O)C[C@@H]1CCCO1	768441724	GYOTXGOUFBNGBZ-SWLSCSKDSA-N	293.363	1.819	10	20	CDCD	
Cc1ccc(CN2CCN(C[C@@H](C)O)C[C@H]2C)c(O)c1	877487058	BONWLFDXUBDNNV-ZIAGYGMSSA-N	278.396	1.588	10	20	CDCD	
COC1(C)CCN(Cc2cc3c(cc2O)OC[C@@H]3O)CC1	774649805	YTAATNSZWYRPQT-AWEZNQCLSA-N	293.363	1.819	10	20	CDCD	
CC[C@H]1NCC[C@H]1C(=O)N[C@H](C)c1ccccc1O	870988711	XNGDEOATOKECQJ-RAIGVLPGSA-N	262.353	1.958	10	20	CDCD	
C[C@H](NC(=O)Cn1cncn1)c1ccc(N(C)C)cc1	772993986	JXJFNJZSPCAGBM-NSHDSACASA-N	273.340	1.222	10	20	CDCD	
CONC(=O)C1CCN(Cc2cc(F)ccc2O)CC1	877786722	VGIACQJUPGRYLC-UHFFFAOYSA-N	282.315	1.421	10	20	CDCD	
COC(=O)C1(CNCc2cc(C)cc(OC)c2O)CC1	1119444644	AMOYHAAPWQLMTB-UHFFFAOYSA-N	279.336	1.752	10	20	CDCD	
Cc1cccc(O)c1CNCCCNC(=O)C(C)C	877120682	MJNYCAFEUGQSLO-UHFFFAOYSA-N	264.369	1.953	10	20	CDCD	
CO[C@@H]1COC[C@@H]1N[C@H](C)c1c(O)cccc1F	886625266	MHFYURDNVQAAGB-UBHAPETDSA-N	255.289	1.596	10	20	CDCD	
CO[C@H]1CN(C(=O)NCc2ccc(N)cc2)CC[C@@H]1C	1120592476	YOSKERKRTLOQLC-FZMZJTMJSA-N	277.368	1.835	10	20	CDCD	
Cc1cccc(CN(C)Cc2nnc3c(=O)[nH]ccn23)c1O	895623158	OQCMVGDUTUMZQD-UHFFFAOYSA-N	299.334	1.064	10	20	CDCD	
Cc1[nH]ccc1C(=O)OCC(=O)c1ccc(O)c(O)c1	784016446	HECVKFHXYBRKFM-UHFFFAOYSA-N	275.260	1.774	10	20	CDCD	
CN(C)c1ccc(CN[C@H]2C(=O)NCC2(C)C)cc1F	895317601	XPUZQOXGXWGPTM-ZDUSSCGKSA-N	279.359	1.506	10	20	CDCD	
COC(=O)C1(C)CN(Cc2ccc(OC)c(OC)c2O)C1	895019200	YABHZIMLYWETPC-UHFFFAOYSA-N	295.335	1.404	10	20	CDCD	
COC[C@H](CNCc1cc(OC)c(OC)cc1O)OC	781528874	GCLYDPWEPDPJAD-NSHDSACASA-N	285.340	1.160	10	20	CDCD	
C[C@@H]1C[C@H](C(=O)NCCc2ccc(O)c(O)c2)CO1	784447577	VJRCLRKCDVEGFM-KOLCDFICSA-N	265.309	1.182	10	20	CDCD	
CCc1cc(C(=O)NCCc2ccc(O)c(O)c2)no1	897068455	NXRNNIXMIMUZCQ-UHFFFAOYSA-N	276.292	1.621	10	20	CDCD	
COCCOCCCNCc1cc(C)cc(OC)c1O	894156291	FKFWTYOZTCBYLW-UHFFFAOYSA-N	283.368	1.852	10	20	CDCD	
CC[C@@H]1C(=O)NCCCN1Cc1cccc(C)c1O	898546734	YBHCFEBHCCGQHG-CYBMUJFWSA-N	262.353	1.801	10	20	CDCD	
C[C@H]1CCCN1CCNC(=O)c1cccc(O)c1O	790941314	VVMLOXDBDLNOOG-JTQLQIEISA-N	264.325	1.312	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNS(=O)(=O)N1CCC1	795843153	MGNGBPVZMTZZEF-UHFFFAOYSA-N	283.397	1.101	10	20	CDCD	
O=C(NCCNc1ccccn1)c1cccc(O)c1O	790516441	TZCDCDACDXLKSI-UHFFFAOYSA-N	273.292	1.335	10	20	CDCD	
Oc1c(Cl)cccc1CN[C@@H]1CCOC[C@H]1O	706724248	PUSGYSZDVGLRMK-GHMZBOCLSA-N	257.717	1.285	10	20	CDCD	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1CC1	1254761984	WDHZBBLSIGITTL-NSHDSACASA-N	293.319	1.098	10	20	CDCD	
C[C@@H]1CN(Cc2cc3c(cc2O)OCO3)[C@H](C)CN1C	775984363	FUSZPIQYURAGBF-GHMZBOCLSA-N	278.352	1.645	10	20	CDCD	
C[C@@H]1NCC[C@@H]1C(=O)N(C)Cc1ccc(N(C)C)cc1	92953818	BANZFHINKVVVQL-WFASDCNBSA-N	275.396	1.709	10	20	CDCD	
COC[C@](C)(NCc1ccc(N(C)C)cc1)C(=O)O	789904282	VAHOPAVTGRTRDB-AWEZNQCLSA-N	266.341	1.332	10	20	CDCD	
O=C(NCc1cccc(O)c1O)[C@@]12CCCN(CC1)C2	1348047560	OFVBTWCKNVTHNJ-HNNXBMFYSA-N	276.336	1.200	10	20	CDCD	
COCCOCCN(C)C(=O)NCc1ccc(N)cc1	1346740087	XKJSKDHVOPISMG-UHFFFAOYSA-N	281.356	1.073	10	20	CDCD	
COC(=O)N1CCC(C(=O)NCc2ccc(N)cc2)CC1	1356229068	WZDFCPMJBDEPRT-UHFFFAOYSA-N	291.351	1.363	10	20	CDCD	
Cc1ccnc(N2Cc3cccc(O)c3C2)c1-c1nn[nH]n1	1605954974	MEQUKWLGFNOACU-UHFFFAOYSA-N	294.318	1.796	10	20	CDCD	
C[C@H](NCCCn1cncn1)c1cc(C(=O)O)ccc1O	1609776392	APMZSMMOOUAULO-JTQLQIEISA-N	290.323	1.423	10	20	CDCD	
COCC[C@@H](CO)N[C@H](C)c1cc(C(=O)O)ccc1O	1610252853	IIBNWKMUDWAFCZ-KOLCDFICSA-N	283.324	1.138	10	20	CDCD	
C[C@H](NCc1cccc(Cl)c1O)[C@H]1CNCCO1	1573578685	KNWYUNIJRSASEP-JOYOIKCWSA-N	270.760	1.512	10	20	CDCD	
COc1ccc(O)c(CN[C@](C)(CCF)C(=O)O)c1	1599598677	PQTYCKPOPMSHRU-CYBMUJFWSA-N	271.288	1.693	10	20	CDCD	
C[C@H](N[C@H](C)c1ncn(C)n1)c1cc(C(=O)O)ccc1O	1593198214	OFTYPZPOABBOFA-DTWKUNHWSA-N	290.323	1.631	10	20	CDCD	
CCS(=O)(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	5098822	TVNUSCVHKASEQH-CQSZACIVSA-N	299.440	1.295	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2ccc(CN)o2)cc1F	166459859	NEHFFJFEHBFUEV-UHFFFAOYSA-N	291.326	1.873	10	20	CDCD	
Nc1ccc(CN2CCC(NC(=O)C3CC3)CC2)cc1	586045115	UCTPDQGHEFDKEG-UHFFFAOYSA-N	273.380	1.759	10	20	CDCD	
COc1ccc(O)c(CN2CCO[C@H](CF)C2)c1	840954514	KHKWDPJCJXSFID-GFCCVEGCSA-N	255.289	1.571	10	20	CDCD	
CCOc1cccc(CNC[C@H]2CCCS2(=O)=O)c1O	126674284	BLSZRVKAFXBMDF-GFCCVEGCSA-N	299.392	1.458	10	20	CDCD	
CC(C)S(=O)(=O)CCN[C@@H]1CCc2cccc(O)c21	297326847	NRZKRUKGVYYTNV-GFCCVEGCSA-N	283.393	1.792	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@]1(C)CCNC1	62894665	BPVFIKJLLOSKCF-INIZCTEOSA-N	275.396	1.711	10	20	CDCD	
CN(C[C@H]1CCC[C@H]1O)C(=O)Cc1ccc(N)cc1	708339709	AEQNCHYKTUTCSO-TZMCWYRMSA-N	262.353	1.431	10	20	CDCD	
COC[C@@H](CNCc1cc(F)cc(F)c1O)OC	708452825	CJLSNUHTPVJHAK-SNVBAGLBSA-N	261.268	1.421	10	20	CDCD	
CCNC(=O)C(C)(C)NCc1cccc(CC)c1O	691467267	POBGERXTXMSOOP-UHFFFAOYSA-N	264.369	1.959	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC[C@@H](C)S(C)(=O)=O)c1	697611491	CASPCDSQVZZBAX-ZJUUUORDSA-N	287.381	1.485	10	20	CDCD	
O=C(NCCCc1nccs1)c1cccc(O)c1O	391381560	XLZNRVCKTIWBQW-UHFFFAOYSA-N	278.333	1.917	10	20	CDCD	
OCC1(CCNCc2cc3c(cc2O)OCO3)CC1	395830369	CCMAITAREMIILR-UHFFFAOYSA-N	265.309	1.373	10	20	CDCD	
CC(C)NS(=O)(=O)N[C@H](C)c1ccccc1O	867834440	OMDTZOBCPMDBEO-SECBINFHSA-N	258.343	1.286	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)c2c[nH]nn2)c1	170900669	ZTFLIYLLEHRMSF-ZETCQYMHSA-N	262.269	1.010	10	20	CDCD	
CCOC(=O)N1CC[C@@H](NCc2cc(F)ccc2O)C1	186475796	KGZJLFYJKCRWCB-GFCCVEGCSA-N	282.315	1.852	10	20	CDCD	
CNC(=O)CCN(C)Cc1cccc(Cl)c1O	180030585	JUZWOGNLCXSJAB-UHFFFAOYSA-N	256.733	1.614	10	20	CDCD	
CCN1CCN(C(=O)c2cccc(O)c2O)[C@@H](C)C1	286555372	ACTIPNHJMUBEJI-JTQLQIEISA-N	264.325	1.264	10	20	CDCD	
COc1ccc(O)c(CN2C[C@H](C)NC[C@H]2C)c1	86467090	FDBYPWYZWMKETG-WDEREUQCSA-N	250.342	1.583	10	20	CDCD	
Nc1ccc(CNC(=O)COCC(F)(F)F)cc1	232323466	JAZVCSDJWMWANQ-UHFFFAOYSA-N	262.231	1.464	10	20	CDCD	
CCCOc1ccc(CNCC(=O)NC2CC2)c(O)c1	263669746	JQIVJZXOLWAZJG-UHFFFAOYSA-N	278.352	1.549	10	20	CDCD	
O=C(O)C1(NCc2cc([N+](=O)[O-])ccc2O)CC1	284320981	TYCYEGKVQBHNGV-UHFFFAOYSA-N	252.226	1.007	10	20	CDCD	
CCOc1ccc(CN[C@H](C)C(=O)NCCF)c(O)c1	800291486	AUYKJNOGAHBITF-SNVBAGLBSA-N	284.331	1.355	10	20	CDCD	
COc1ccc(O)c(CNC(=O)C(=O)c2cccn2C)c1	806858765	XZFMUIAWKUZGMH-UHFFFAOYSA-N	288.303	1.238	10	20	CDCD	
COC[C@H](NCc1cc(Cl)c(F)cc1O)C(=O)OC	816589618	CVMRZOXBJUZLBA-JTQLQIEISA-N	291.706	1.462	10	20	CDCD	
COCCNCCN[C@@H](C)c1cc(OC)ccc1O	817964543	FCIAAZOZHWRNGT-NSHDSACASA-N	268.357	1.287	10	20	CDCD	
CCOc1ccc(O)c(CNC[C@H](C)N(C)C)c1	824988719	RLNMNCOHFNVJAO-NSHDSACASA-N	252.358	1.831	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CC[C@@](F)(C(=O)O)C2)c1O	825946977	ZOWHNQCBSXNYGC-AWEZNQCLSA-N	299.273	1.733	10	20	CDCD	
COCCn1cc(NC(=O)c2cc(O)cs2)cn1	732272848	FLQJMCDUHLFALY-UHFFFAOYSA-N	267.310	1.549	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN(C)[C@@H](C)C(=O)O	901980432	UPBZJHQIJARNQR-NSHDSACASA-N	250.342	1.966	10	20	CDCD	
CN(C)c1ccc([C@@H](N)CNC(=O)Cc2cccnc2)cc1	832267589	WTOBSIGMMADZGU-INIZCTEOSA-N	298.390	1.506	10	20	CDCD	
CC[C@@H](OC)C(=O)N(CC(=O)O)Cc1ccccc1O	911486203	NBAJJMLSJQNFCH-GFCCVEGCSA-N	281.308	1.230	10	20	CDCD	
Cc1n[nH]c(C)c1[C@H](C)C(=O)NCc1ccc(O)cc1O	910953788	DXDMKEVZWSNKMJ-QMMMGPOBSA-N	289.335	1.858	10	20	CDCD	
CC1(C(=O)NCc2cc(Cl)ccc2O)COC1	846473172	JZZSVEZFBJZRGU-UHFFFAOYSA-N	255.701	1.698	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)c1n[nH]c2c1CCC2	910952799	ZNTCEOZCFSXRNH-UHFFFAOYSA-N	273.292	1.240	10	20	CDCD	
COc1cccc([C@@H](C)NC[C@H]2CCS(=O)(=O)C2)c1O	846137634	VGFXOSNGYDPMBP-GHMZBOCLSA-N	299.392	1.486	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N[C@H](CN)C2CC2)cc1F	841761175	NSDFRQMJXBDNEE-CYBMUJFWSA-N	294.374	1.428	10	20	CDCD	
COc1cccc(CN2CCC[C@H](CO)[C@H]2C)c1O	840976438	BWKGEKGSEXZCND-DGCLKSJQSA-N	265.353	1.994	10	20	CDCD	
NC[C@H]1CCC[C@H]1NCc1ccc(N2CCOCC2)cc1	841031632	UMWCAXCSYMKJTN-NVXWUHKLSA-N	289.423	1.740	10	20	CDCD	
C[C@@H](NC(=O)NCCc1ccc(N)cc1)[C@H]1CCCNC1	841929619	WRZGDNXDPKTZHL-OCCSQVGLSA-N	290.411	1.499	10	20	CDCD	
CCc1cccc(CN[C@H]2CCC[C@H]2C(=O)NC)c1O	848900023	WZDKYGALTNGOPY-KGLIPLIRSA-N	276.380	1.959	10	20	CDCD	
CCc1cccc(CN2CCN(C[C@H](C)O)CC2)c1O	848885950	PEVAXGUKZVLGIB-ZDUSSCGKSA-N	278.396	1.453	10	20	CDCD	
CCCNC(=O)CNC(=O)NCc1cc(Cl)ccc1O	844863538	RWJBZAXGVZNEIY-UHFFFAOYSA-N	299.758	1.371	10	20	CDCD	
CC(=O)NCC(C)(C)C(=O)N(C)Cc1ccccc1O	845791897	OGFJBXFFUIRGTH-UHFFFAOYSA-N	278.352	1.513	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H]2COC[C@@H]2C)c(O)c1O	928902981	KGTWCYXDQFMROS-WCBMZHEXSA-N	251.282	1.171	10	20	CDCD	
COc1cc(O)c(CN2CC[C@@H](CN)C2)cc1OC	843048304	IFXMTJVSKBFYPQ-JTQLQIEISA-N	266.341	1.190	10	20	CDCD	
C[C@@H](NC[C@@H](O)CN(C)C)c1cc(Cl)ccc1O	756554886	JVKLLICYMFTDSO-MWLCHTKSSA-N	272.776	1.619	10	20	CDCD	
CC[C@@H](NC)C(=O)NCc1ccc(N(C)C)cc1C	852807338	SYHWQQUPFARRAL-CQSZACIVSA-N	263.385	1.675	10	20	CDCD	
CC1(C)C[C@](C)(NC(=O)c2cc(O)cs2)C(=O)O1	854669253	ITETZZAIMULZET-LBPRGKRZSA-N	269.322	1.668	10	20	CDCD	
CCOc1ccc(CN2CCO[C@@H](C(=O)OC)C2)c(O)c1	769333967	WGZPPEBNNXBVLV-CQSZACIVSA-N	295.335	1.165	10	20	CDCD	
O=C(N[C@@H](CCO)c1ccco1)c1cc(O)cs1	769653267	KWKIGHDEBVJYGQ-VIFPVBQESA-N	267.306	1.900	10	20	CDCD	
CCOc1ccc(O)c(CN[C@H]2C[C@@H](CO)C2)c1	865662858	KTURHWATQIXCLP-KLPPZKSPSA-N	251.326	1.651	10	20	CDCD	
O=C(CCc1ccncc1)NCc1ccc(O)c(O)c1	768917528	MKHCLWNOAGJNSM-UHFFFAOYSA-N	272.304	1.742	10	20	CDCD	
Cc1[nH]nc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1O	773747660	CPHGMWRYBDHDRY-SSDOTTSWSA-N	291.307	1.196	10	20	CDCD	
CNC[C@@H](C)CNCc1cc(OC)c(OC)cc1O	1117953870	SDNIBGWIIAISFH-SNVBAGLBSA-N	268.357	1.355	10	20	CDCD	
C[C@@H]1C[C@@H](C)N(C(=O)C(=O)N(C)Cc2ccccc2O)C1	1117879964	VPKJQARJCVYTAG-VXGBXAGGSA-N	290.363	1.608	10	20	CDCD	
CCNS(=O)(=O)[C@H]1CCN(Cc2ccc(C)cc2O)C1	877178010	YUDJRRYDLOLECH-ZDUSSCGKSA-N	298.408	1.214	10	20	CDCD	
CCn1nccc1NC(=O)NCc1cccc(OC)c1O	776022573	CBUBYKMQVKHFDM-UHFFFAOYSA-N	290.323	1.939	10	20	CDCD	
COc1ccc(NCc2ccccc2O)cc1-n1cnnn1	770588769	LLWAHIWXQGKNMU-UHFFFAOYSA-N	297.318	1.989	10	20	CDCD	
CC(C)(C)N1CCN(C(=O)NCc2ccc(N)cc2)CC1	1120681321	IOVYJDZTESSNLX-UHFFFAOYSA-N	290.411	1.895	10	20	CDCD	
O=C1NC2(CCN(Cc3cc(F)cc(F)c3O)CC2)CO1	894445191	OHOJIVPDBNGOEO-UHFFFAOYSA-N	298.289	1.745	10	20	CDCD	
CC[C@@H]1C(=O)NCCCN1Cc1cc(C)ccc1O	898544459	BKPAZQHACLYIAO-CYBMUJFWSA-N	262.353	1.801	10	20	CDCD	
COc1cc(C)cc(CNCCC(C)(C)O)c1O	894491753	RWCPPQAVULBWFE-UHFFFAOYSA-N	253.342	1.960	10	20	CDCD	
Cc1cc(NS(=O)(=O)C[C@H]2CCCOC2)ccc1O	788138966	HLUMCANPZXJOBH-NSHDSACASA-N	285.365	1.869	10	20	CDCD	
CCOC(=O)N(C)CCCC(=O)NCc1ccccc1O	896016167	XJFXPJGIZMTHGP-UHFFFAOYSA-N	294.351	1.877	10	20	CDCD	
Cc1ccc(C(=O)O[C@H](C)C(=O)N(C)C(C)C)c(O)c1O	783346387	ZMTCFOUGXSWWKM-SNVBAGLBSA-N	295.335	1.818	10	20	CDCD	
COC[C@@H](CNCc1cc(C)cc(OC)c1O)OC	894435017	ZOLQJTLTUIOUCT-GFCCVEGCSA-N	269.341	1.460	10	20	CDCD	
COc1ccc(CNC(=O)CC[C@H]2CCCO2)c(O)c1	794389569	RJRPNLSPXPHXMA-GFCCVEGCSA-N	279.336	1.976	10	20	CDCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2NC[C@@]1(O)CCN(C)C1	1320514178	OSSWJTQQXMPPEV-XNJGSVPQSA-N	290.407	1.905	10	20	CDCD	
Nc1ccc(CNC(=O)NC[C@@H]2CCCCO2)cc1	1335382985	SDOIXLRHMQSXOE-ZDUSSCGKSA-N	263.341	1.637	10	20	CDCD	
C[C@H](NC[C@H]1CN2CCC[C@@H]2CO1)c1ccccc1O	91662202	KBGZFIYNAOOLAH-MJBXVCDLSA-N	276.380	1.906	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)c1cc(O)ncn1	1330213100	FYEPHALMOBGZCK-UHFFFAOYSA-N	287.319	1.940	10	20	CDCD	
Nc1ccc(CNC(=O)N2CCC(CCCO)CC2)cc1	1346739336	PTZDADNMKBKYKV-UHFFFAOYSA-N	291.395	1.963	10	20	CDCD	
O=C(NCc1ccccc1O)N[C@H]1CC=C(C(=O)O)C1	1608473134	RMUUTPVKFMJCJQ-NSHDSACASA-N	276.292	1.365	10	20	CDCD	
CCOc1ccc(N(CC)CC(=O)NCCC(=O)O)cc1	1605690573	ONMYXNVGMNZZHU-UHFFFAOYSA-N	294.351	1.503	10	20	CDCD	
COc1cccc(O)c1CNCc1csnn1	1262011597	RCCMMXOTCVDPCE-UHFFFAOYSA-N	251.311	1.542	10	20	CDCD	
CCN(C)c1ccc(CN(C)CCOCCN)cc1	1577658287	ZRHBBNAZUQSQNB-UHFFFAOYSA-N	265.401	1.550	10	20	CDCD	
CO[C@H](CNCc1ccc2c(c1)CCCO2)CC(=O)O	1777148737	JKSJBLPLLVBSLX-ZDUSSCGKSA-N	279.336	1.591	10	20	CDCD	
CCN(C)c1ccc(CN[C@@H](CN(C)C)C(=O)O)c(C)c1	1776856582	CVWMVRIJLXTGKB-HNNXBMFYSA-N	293.411	1.556	10	20	CDCD	
CC[C@@H](C)CS(=O)(=O)NCc1cc(OC)ccc1O	151354866	NRHTYKPGPNAEJK-SNVBAGLBSA-N	287.381	1.866	10	20	CDCD	
C[C@H](NCCN1CCOCC1)c1ccc(N(C)C)cc1	37212796	HWVKLBPGECARNC-AWEZNQCLSA-N	277.412	1.735	10	20	CDCD	
COc1cccc(CNCCN2CC=CCC2)c1O	279828649	PZSOYWQGCRJQOC-UHFFFAOYSA-N	262.353	1.752	10	20	CDCD	
CC[C@H](C)C[C@@H](N)C(=O)NCc1ccccc1O	400752419	DHFCBDDCRXEHCG-CMPLNLGQSA-N	250.342	1.772	10	20	CDCD	
Nc1ccc(CC(=O)N[C@@H]2CC=C(C(=O)O)C2)cc1	694875316	YYXCUGWSRFVZJQ-GFCCVEGCSA-N	260.293	1.101	10	20	CDCD	
OC[C@H](C[C@H]1CCCO1)N[C@H]1CCc2cccc(O)c21	886670235	LDWFDWDVSJEDNB-MJBXVCDLSA-N	277.364	1.899	10	20	CDCD	
CCN(CC)CC(=O)N[C@H](C)c1cc(OC)ccc1O	103529524	LIAUOOYCNSYFBV-LLVKDONJSA-N	280.368	1.920	10	20	CDCD	
CO[C@H](C)CC(=O)N1CCOc2cc(N(C)C)ccc21	173193534	FKSWNXUGVZLJRA-LLVKDONJSA-N	278.352	1.903	10	20	CDCD	
CCOC(=O)c1noc(CN(C)c2ccc(OC)cc2)n1	313782690	PZHPOFLUBWUNLY-UHFFFAOYSA-N	291.307	1.891	10	20	CDCD	
CC[C@H](C(=O)NCc1cc(OC)ccc1O)N(C)C	126528323	DUJSHWZXZOEBLX-GFCCVEGCSA-N	266.341	1.357	10	20	CDCD	
CCOc1ccc(O)c(CN(CCO)CCCOC)c1	188927707	QCRDDQXFKMVJRI-UHFFFAOYSA-N	283.368	1.622	10	20	CDCD	
COc1cccc(CNC(=O)c2cc(C)nc(O)c2)c1O	180735671	SVOYEHRGZUWIPO-UHFFFAOYSA-N	288.303	1.740	10	20	CDCD	
Cc1cc(C(=O)NCCN)c(C)n1-c1ccccn1	237590070	MJWBUNUIDMVLES-UHFFFAOYSA-N	258.325	1.178	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)[C@@H](C)CNC	236732558	PZMGAGITEGWBRV-LBPRGKRZSA-N	264.369	1.986	10	20	CDCD	
CCS(=O)(=O)C[C@H](C)N[C@H](C)c1ccccc1O	183603805	KDDVITJQDGTOOH-WDEREUQCSA-N	271.382	1.866	10	20	CDCD	
CC[C@@H](C)NC(=O)[C@H](C)NC(=O)c1c(F)ccc(O)c1O	276619231	QRTAUUFUUDMADK-SFYZADRCSA-N	298.314	1.270	10	20	CDCD	
Cc1cccc(CN2CC[C@@H](NC(=O)NC3CC3)C2)c1O	273734620	KVUDUDAQSNXWQA-CQSZACIVSA-N	289.379	1.737	10	20	CDCD	
Cn1ncc(C(=O)NCc2ccc(O)c(O)c2)c1C1CC1	272203118	AZDHLUUIWUCUQS-UHFFFAOYSA-N	287.319	1.639	10	20	CDCD	
O=C(N[C@H]1CN(c2ccccc2)C1=O)c1cccc(O)c1O	365100487	PMFFKKOJMKENNN-LBPRGKRZSA-N	298.298	1.243	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)NCCCN(C)C)c1	273378289	HRPUQLLCJXQRFP-NSHDSACASA-N	280.368	1.781	10	20	CDCD	
Oc1ccc(F)cc1CN1CCN([C@@H]2CCC[C@@H]2O)CC1	361049750	DNSXRQXSIVLANF-ZBFHGGJFSA-N	294.370	1.562	10	20	CDCD	
COc1cccc(CNC(=O)[C@@H]2O[C@@H](C)C[C@@H]2C)c1O	282633046	YTSDYOPXQTVSON-PKFCDNJMSA-N	279.336	1.831	10	20	CDCD	
CCOCc1cc(CNCc2cnnn2C)ccc1OC	288481013	PTDPQVVJMRZXTQ-UHFFFAOYSA-N	290.367	1.650	10	20	CDCD	
CN(C)c1ccc(Cn2cnnc2[S@](C)=O)cc1	292655560	MXADKINTVAAVQS-SFHVURJKSA-N	264.354	1.130	10	20	CDCD	
COc1ccc(CN[C@H]2CCCN(CCCO)C2)cc1C	295118808	MXGYBXZFBMTMOP-INIZCTEOSA-N	292.423	1.940	10	20	CDCD	
Cc1cc(CN(C)Cc2nncn2C)ccc1N(C)C	293425927	ARQBBOKQEIGUHZ-UHFFFAOYSA-N	273.384	1.822	10	20	CDCD	
CO[C@@H]1CCN(C(=O)c2cccc(O)c2O)CC1(C)C	296298884	YDHXYKPUXVKLKP-GFCCVEGCSA-N	279.336	1.985	10	20	CDCD	
COc1cc(O)c(CN2CC(C(C)(C)O)C2)cc1OC	297503344	WHOXHTQMUITRSG-UHFFFAOYSA-N	281.352	1.612	10	20	CDCD	
CCN1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)[C@@H](C)C1	804381488	OPDCBJXEZLQYLS-HWPRWLFBSA-N	290.363	1.664	10	20	CDCD	
NC(=O)CC1(CN[C@@H]2CCc3cccc(O)c32)CC1	817585240	DGPBWORCJXMAHP-LLVKDONJSA-N	260.337	1.625	10	20	CDCD	
COCCOC[C@H](O)CN(C)c1ccc(OC)c(OC)c1	827490920	DUWWUNNYKMPYOX-CYBMUJFWSA-N	299.367	1.164	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1C[C@@]12CCNC2	825942878	NLXOCWMLWBHQOK-NVXWUHKLSA-N	287.407	1.711	10	20	CDCD	
CN(C)c1ccc(CNC(=O)/C=C/[C@@H]2CCOC2)cc1	822227153	XIKDOZCEKBFPCE-LHRNQBEKSA-N	274.364	1.962	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)C(C)(C)NC(=O)O)c1	739925195	IGYYWYVLEVLZCW-MRVPVSSYSA-N	296.323	1.624	10	20	CDCD	
CCN(CC(=O)O)Cc1c(O)ccc2ccncc12	737074782	LUWLOMFOPQIGMO-UHFFFAOYSA-N	260.293	1.847	10	20	CDCD	
O=C(NCc1ccccc1O)N[C@H]1CCN(CC2CC2)C1	731117210	XNBQFIHNMSXDRC-AWEZNQCLSA-N	289.379	1.676	10	20	CDCD	
CON1CCC(N(C)C(=O)c2ccc(C)c(O)c2O)CC1	837267904	BIRRSNVVYJDRMQ-UHFFFAOYSA-N	294.351	1.504	10	20	CDCD	
CCNCCNC(=O)N(C)Cc1ccc(N(C)C)cc1	841934745	JHMZDAYQQXVORU-UHFFFAOYSA-N	278.400	1.504	10	20	CDCD	
O=C(OCCn1cc([N+](=O)[O-])cn1)c1cc(O)cs1	748122871	QWHWKTTZFOGLEK-UHFFFAOYSA-N	283.265	1.415	10	20	CDCD	
Cc1ccc([C@H](O)CNC(=O)c2cc(O)cs2)o1	741299824	PEKPDLDXGLQCPL-SECBINFHSA-N	267.306	1.819	10	20	CDCD	
CCOC(=O)[C@@H](C)CNC(=O)Nc1ccc(N)cc1	841300521	SIECQCZDNTYGJV-VIFPVBQESA-N	265.313	1.590	10	20	CDCD	
Oc1cc2c(cc1CN1C[C@@H]3[C@@H](C1)C3(F)F)[C@@H](O)CO2	844758560	TXADFAZTCOLBQR-FOGDFJRCSA-N	283.274	1.515	10	20	CDCD	
CNC[C@@H]1CCCN1C(=O)NCc1ccc(N(C)C)cc1	841654052	MKUCFOREZAYESL-HNNXBMFYSA-N	290.411	1.646	10	20	CDCD	
Nc1ccc(CCNC(=O)NC2(CCO)CC2)cc1	841955524	FPRONSVZXXWFNM-UHFFFAOYSA-N	263.341	1.026	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1CC(=O)N[C@H](C)C1	840950281	ILLGEHIFQBNTRN-GFCCVEGCSA-N	261.369	1.381	10	20	CDCD	
Nc1ccc(Cc2noc([C@@H]3CCNC(=O)C3)n2)cc1	843158441	CVTYHGFORMBIEI-SNVBAGLBSA-N	272.308	1.236	10	20	CDCD	
CCc1cccc(CN2C[C@H](C)N(CCO)[C@H](C)C2)c1O	848915201	DPABWRXJCIPISG-OKILXGFUSA-N	292.423	1.842	10	20	CDCD	
O=C1NC(=S)S/C1=C\c1ccnn1CC1CC1	849177530	NYFYYCRRHINVIH-UITAMQMPSA-N	265.363	1.782	10	20	CDCD	
CONC(=O)CNCc1cc(OC)cc(C(C)(C)C)c1O	922826993	CYZSVPMTJFLZPY-UHFFFAOYSA-N	296.367	1.466	10	20	CDCD	
COc1cc(O)c(CN[C@@H](CN)CC(C)C)cc1OC	841038682	NUFQURVYJJJKRB-GFCCVEGCSA-N	282.384	1.872	10	20	CDCD	
COc1cccc(O)c1CNC[C@H]1CC(=O)N(C2CC2)C1	846074591	DGJHEBGKQVEGSM-LLVKDONJSA-N	290.363	1.501	10	20	CDCD	
C[C@@H]1C[C@H](NC[C@@H](O)CN(C)C)c2c(O)ccc(F)c21	756552220	DCVTZKMJSRBXHG-FOGDFJRCSA-N	282.359	1.592	10	20	CDCD	
C[S@](=O)[C@@H]1CCC[C@@H](NC(=O)c2cccc(O)c2O)C1	857309008	NWXYKDGWWLZCHA-ZLMDCXFVSA-N	297.376	1.517	10	20	CDCD	
CCN(CC)c1ccc(CN[C@@H]2CNCCOC2)cc1F	925566179	FQUSWDDTJCVOMT-CQSZACIVSA-N	295.402	1.750	10	20	CDCD	
CCC[C@H](O)C(=O)NCc1ccc2c(c1)CCCN2C	931152054	FCORKCJZZILZOX-HNNXBMFYSA-N	276.380	1.846	10	20	CDCD	
Cc1cc(C)c(O)c(CN2CCCS(=O)(=O)CC2)c1	754740857	IVJAEZFQRHQNEP-UHFFFAOYSA-N	283.393	1.630	10	20	CDCD	
CCC[C@@H]1C(=O)NCCN1Cc1ccc(N(C)C)c(F)c1	769516361	SZRVBSSDRBFQCU-OAHLLOKOSA-N	293.386	1.992	10	20	CDCD	
CNC(=O)[C@@H]1CCC[C@H]1NCc1cc([N+](=O)[O-])ccc1O	765798976	WTDFWOLKRBFOMY-VXGBXAGGSA-N	293.323	1.305	10	20	CDCD	
CC1(C)C[C@H](NC(=O)c2cc(O)cs2)C(=O)O1	765149716	PSLVNDTXAQAMKI-ZETCQYMHSA-N	255.295	1.278	10	20	CDCD	
CC(C)=CCNC(=O)C(=O)NCc1ccc(N(C)C)cc1	1117342065	KYDWLURSJFDUAY-UHFFFAOYSA-N	289.379	1.451	10	20	CDCD	
C[C@H](NCc1ccc(N2CCC(CO)CC2)cc1)[C@@H](C)O	1118179612	ZUVCAPYXLDHDGM-UONOGXRCSA-N	292.423	1.754	10	20	CDCD	
CN1CCN(Cc2cc(Cl)c(F)cc2O)[C@H](CO)C1	877643203	CIZREAOWCDSFFP-JTQLQIEISA-N	288.750	1.293	10	20	CDCD	
COc1cc(O)c(CNC2(C)COC2)cc1OC	877690609	CNYDVISJJGWBRE-UHFFFAOYSA-N	253.298	1.288	10	20	CDCD	
CO[C@H]1C[C@H](NCc2ccc(N3CCC(O)CC3)cc2)C1	877659905	GNPPEBYBEWDNEP-CZIWCDLHSA-N	290.407	1.915	10	20	CDCD	
CCOC(=O)C1=NN(c2cccc(F)c2F)C(=O)[C@H]1C	871956651	YMZMUBARZXLQGE-ZETCQYMHSA-N	282.246	1.867	10	20	CDCD	
O=C(OCC(=O)C1CCOCC1)c1cc(O)cs1	770971308	RJFIRUQBYHTGJB-UHFFFAOYSA-N	270.306	1.606	10	20	CDCD	
CC(C)(C)OC(=O)[C@H]1CN(Cc2ccccc2O)CCO1	779018892	IRHIJYKMCRNWAG-CQSZACIVSA-N	293.363	1.935	10	20	CDCD	
COc1ccc(N(C)C[C@H]2CCS(=O)(=O)C2)cc1OC	789295620	SDQUYBFGZXNMGK-LLVKDONJSA-N	299.392	1.575	10	20	CDCD	
CC[C@@H](C)C[C@H](N)C(=O)NCc1ccc(OC)cc1O	1122064809	JEZIZDOKMNRPMN-MFKMUULPSA-N	280.368	1.781	10	20	CDCD	
O=C(COC(=O)[C@H]1CCSC1)c1ccc(O)c(O)c1	784154767	HZNIDYRCYHIFFW-VIFPVBQESA-N	282.317	1.577	10	20	CDCD	
C[C@@H](NCc1nnn(C)n1)c1cc2c(cc1O)CCCC2	787042990	RFFDFMKHSGKLDX-SNVBAGLBSA-N	287.367	1.645	10	20	CDCD	
C[C@H]1C[C@@H](O)CN1Cc1ccc(N2CCOCC2)c(F)c1	788266755	BJCUXMSMLAKBHU-GXTWGEPZSA-N	294.370	1.617	10	20	CDCD	
COc1cc(C)cc(CN[C@@H]2C[C@]2(C)OC)c1O	895344827	QBDSLIZADMRTKP-OCCSQVGLSA-N	251.326	1.976	10	20	CDCD	
O=C1OCC[C@@H]1NCc1ccc(N2CCC(O)CC2)cc1	895808642	REEPBYUBTZALEQ-HNNXBMFYSA-N	290.363	1.053	10	20	CDCD	
Cc1cnn(C)c1/C=C1\C(=O)NN(c2ccccc2)C1=O	794706161	DYIJMNUXOOTGNI-XYOKQWHBSA-N	282.303	1.190	10	20	CDCD	
CC(=O)N[C@H]1CCN(Cc2ccc(N3CCCC3)cc2)C1	1204328560	JINOYWXKHZQEME-INIZCTEOSA-N	287.407	1.997	10	20	CDCD	
COc1ccc(CNC(=O)c2cnn(C)c2C)c(O)c1	794381812	OPOCYYMZTHBBJW-UHFFFAOYSA-N	275.308	1.373	10	20	CDCD	
Nc1cc(COC(=O)c2cc(O)cs2)ccn1	791884984	HAOCXAYBTNZRAE-UHFFFAOYSA-N	250.279	1.788	10	20	CDCD	
C[C@H](C(=O)N(C)Cc1ccccc1O)n1cccn1	63767323	AWZCPVMYJJELHL-LLVKDONJSA-N	259.309	1.808	10	20	CDCD	
CCOCCOCCNC(=O)NCCc1ccc(N)cc1	1335551617	OEKOQWMUNQBJMD-UHFFFAOYSA-N	295.383	1.164	10	20	CDCD	
C[C@H](O)CNCc1ccc(Br)cc1O	691397093	WPFUUJKVIBTMND-ZETCQYMHSA-N	260.131	1.625	10	20	CDCD	
CCCCN(CCO)C(=O)NCc1ccc(N)cc1	1335730603	NGECYSSEPUUONA-UHFFFAOYSA-N	265.357	1.573	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NCCN2CCC2)c1	697419262	NTTUOFMRNQMXRY-LLVKDONJSA-N	250.342	1.757	10	20	CDCD	
C[C@H](CN[C@@H]1CCc2cccc(O)c21)S(C)(=O)=O	697567083	HJOIJCCCDUEDBA-MWLCHTKSSA-N	269.366	1.402	10	20	CDCD	
CC(C)c1nccn1CC(=O)NCc1cccc(O)c1O	1347234019	LUIQCGYQVGTXJM-UHFFFAOYSA-N	289.335	1.734	10	20	CDCD	
C[C@@H]1O[C@H](C)C[C@@H]1C(=O)NCc1cccc(O)c1O	1352673005	ZGZWEHIQLGYNKU-YWVKMMECSA-N	265.309	1.528	10	20	CDCD	
CCc1nc(C)ncc1C(=O)NCc1cccc(O)c1O	1455314559	GZXHWPRLZVHVLR-UHFFFAOYSA-N	287.319	1.689	10	20	CDCD	
Cc1n[nH]c(C)c1CNC(=O)/C=C/c1ccc(O)c(O)c1	1521695478	ZVSFUJVTGIMBCN-GQCTYLIASA-N	287.319	1.767	10	20	CDCD	
O=C(O)c1cnc(SCCNC(=O)C2CC2)s1	1608979371	WZLYCKVTRKVUHR-UHFFFAOYSA-N	272.351	1.460	10	20	CDCD	
COc1ccc(O)c(CN[C@H]2CCC[C@H]2C(=O)O)c1	1574218782	KKWGLDIMLUHVBX-NEPJUHHUSA-N	265.309	1.744	10	20	CDCD	
C[C@H]1CCN[C@H](C(=O)N2Cc3cccc(O)c3C2)C1	1576744421	JAOAFGRGZPMFCL-GWCFXTLKSA-N	260.337	1.623	10	20	CDCD	
COc1ccc(CN(C)C[C@@H](C)C(=O)O)c(O)c1OC	1594091944	AEBUZNUQOODFJV-SECBINFHSA-N	283.324	1.562	10	20	CDCD	
COC(=O)[C@@H](Sc1ncc(C(=O)O)s1)C1CC1	1598712218	OKLFDYXSBSGEHC-ZETCQYMHSA-N	273.335	1.885	10	20	CDCD	
CC[C@H](O)CN[C@H](C)c1cc(C(=O)O)ccc1O	1597350548	GORAPDKYEGZNIS-SCZZXKLOSA-N	253.298	1.512	10	20	CDCD	
CN1CCC[C@H](CNCc2cc(F)ccc2O)C1	226608080	LCNHOSWJRLKLPS-LLVKDONJSA-N	252.333	1.963	10	20	CDCD	
COc1ccc(O)c([C@H](C)NCC(=O)NCC(F)F)c1	271858542	SYFJMPXFEDCJJO-QMMMGPOBSA-N	288.294	1.433	10	20	CDCD	
NCc1ccc2c(c1)CCCN2Cc1cnns1	700899590	RYVGPGXTZLKPJE-UHFFFAOYSA-N	260.366	1.950	10	20	CDCD	
Cc1ccc([C@@H](C)N[C@@H]2CCCN(C)C2=O)c(O)c1	704337400	DDXCDMKZVXFMGU-DGCLKSJQSA-N	262.353	1.972	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)NCCNC(C)=O	66688521	DYQDKWYSVVWTOD-UHFFFAOYSA-N	293.367	1.450	10	20	CDCD	
Cc1ccc(C(=O)N(C)C2CCN(C)CC2)c(O)c1O	179380484	VPQWCCOXYKEPBK-UHFFFAOYSA-N	278.352	1.572	10	20	CDCD	
CCN(C)C(=O)[C@H](C)NCc1cc(OC)c(OC)cc1O	188046274	WUJCOBRTVSXWJR-JTQLQIEISA-N	296.367	1.366	10	20	CDCD	
CC[C@H](CO)NC(=O)c1cc(C)n(-c2ccccn2)c1C	182365748	WKDJBJJQLQWIHW-CYBMUJFWSA-N	287.363	1.990	10	20	CDCD	
NC(=O)c1cccc(NC(=O)/C=C/c2ccc(O)c(O)c2)c1	180609489	MSPLMAGSSFXLNY-FNORWQNLSA-N	298.298	1.849	10	20	CDCD	
Cc1cccc(CN2CCN3C(=O)OC[C@H]3C2)c1O	378445775	WKKQOCQUFCGCOG-GFCCVEGCSA-N	262.309	1.337	10	20	CDCD	
COc1ccc(N2CCN(CC3OCCO3)CC2)cc1F	182447185	KKPLNGXLRAJOAP-UHFFFAOYSA-N	296.342	1.329	10	20	CDCD	
COc1ccc(CNC[C@@]2(O)CCOC2)cc1C	229638949	DBVSEIZXFROAJY-AWEZNQCLSA-N	251.326	1.245	10	20	CDCD	
C[C@@H]1CN(Cc2cc3c(cc2O)OCO3)C[C@H]1CO	191724938	COEXXZIPCLSXQT-KOLCDFICSA-N	265.309	1.181	10	20	CDCD	
CCOc1ccc(O)c(CN(C)CCCC(=O)NC)c1	93718129	YPLSIBGKCTYKPM-UHFFFAOYSA-N	280.368	1.749	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@@]1(C)CCNC1	237084497	NSQBJHXEZVALMJ-INIZCTEOSA-N	275.396	1.677	10	20	CDCD	
C[C@H]1C[C@H](C(=O)N2CCOc3cc(N(C)C)ccc32)CO1	439157180	NBQXHGJXVCXQHO-RYUDHWBXSA-N	290.363	1.903	10	20	CDCD	
COc1cccc(CN2CCn3cnnc3[C@@H]2C)c1O	276852244	VAZHUBPXSPTRSQ-JTQLQIEISA-N	274.324	1.569	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)NCc2nncn2C)c1	273394914	LQNVGYJXOBRWEZ-SECBINFHSA-N	290.323	1.158	10	20	CDCD	
Cc1ccc(O)c(CN[C@]2(CCO)CCOC2)c1	278484823	KFPFOAOHWIVRNM-CQSZACIVSA-N	251.326	1.332	10	20	CDCD	
CCc1cc(O)ccc1NS(=O)(=O)c1c(C)cnn1C	285267386	YADMZMXGSYMQJX-UHFFFAOYSA-N	295.364	1.797	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCOC[C@H]1[C@@H]1CCCO1	807688447	KMSVYBNLVVLGTK-QWRGUYRKSA-N	283.349	1.474	10	20	CDCD	
CC[C@H](CS(=O)(=O)Nc1ccc(O)c(OC)c1)OC	817356574	PHMNRYUDMJSVNB-SNVBAGLBSA-N	289.353	1.568	10	20	CDCD	
Cc1nc(CC(=O)NCc2ccc(N(C)C)cc2C)n[nH]1	827957810	VXNZXTFPHPLYNY-UHFFFAOYSA-N	287.367	1.346	10	20	CDCD	
O=C(NCCCSc1nccs1)[C@H]1C[C@@]12CCNC2	829528078	KAOHPPWJYGOKNK-ZWNOBZJWSA-N	297.449	1.741	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1CC[C@H](C(=O)O)C1	901490650	QDONZURKQBEIQL-ZDUSSCGKSA-N	262.353	1.968	10	20	CDCD	
O=C(N[C@H]1CCc2c[nH]nc2C1)c1c(F)ccc(O)c1O	826890573	SVHNMGIZMQOIIC-QMMMGPOBSA-N	291.282	1.247	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2cc(O)cs2)cn1	731868899	CMQFVGGMOUOASC-UHFFFAOYSA-N	277.349	1.845	10	20	CDCD	
C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)c1cc(O)cs1	748322742	UHLYWQUPTKYMJU-MWLCHTKSSA-N	268.382	1.866	10	20	CDCD	
CC[C@@H](N)CNC(=O)N(C)Cc1ccc(N(C)C)cc1	842008698	WNELUTUXWRZDAF-CYBMUJFWSA-N	278.400	1.631	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN[C@H]1CCCCNC1=O	840929657	ULMDZYVXIPCHNS-HNNXBMFYSA-N	275.396	1.819	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)O[C@@H]1CCOC1	916424983	NMDJHKJLAXNOCA-SNVBAGLBSA-N	253.254	1.113	10	20	CDCD	
Cc1cccc(CNCc2nc([C@@H]3CCCO3)n[nH]2)c1O	848924259	OVLWSOWDTLNYKM-LBPRGKRZSA-N	288.351	1.960	10	20	CDCD	
CC[C@H](NC[C@@H](O)Cn1ccnn1)c1ccc(C)cc1O	840802356	IBZQLQGRAWXZJK-OCCSQVGLSA-N	290.367	1.394	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)c1ccc(C(N)=O)o1	747420624	MREPCRRQDMUDTB-UHFFFAOYSA-N	274.276	1.356	10	20	CDCD	
CN(CCNC(=O)NCc1cc(Cl)ccc1O)C1CC1	844970099	JUPCSIHYWKWAMS-UHFFFAOYSA-N	297.786	1.939	10	20	CDCD	
OC[C@H](CNCc1ccc2c(c1)CCCO2)[C@H]1CCOC1	922086490	MBRGLJSDGFVSTF-HOTGVXAUSA-N	291.391	1.746	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H](C)C(=O)O)c1	841768547	NJNVIBFOYLIXCD-SFYZADRCSA-N	267.281	1.299	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CN(C2CC2)C2CC2)cc1	859623881	FOKKAYYGYVSARD-UHFFFAOYSA-N	287.407	1.996	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN(C)CC2(C)COC2)c1O	862479678	XKFOSYMUFPMWCS-UHFFFAOYSA-N	296.323	1.777	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H](O)C1CC1	935946054	VQGDNPDNIPPQHN-LBPRGKRZSA-N	270.325	1.265	10	20	CDCD	
C[C@@H](NCC(=O)NCc1ccco1)c1ccccc1O	879647990	VBVJHJPFFAOLGY-LLVKDONJSA-N	274.320	1.952	10	20	CDCD	
COC[C@](C)(CO)NCc1cc(F)c(N(C)C)cc1F	1118987588	WRHXCODUSZZTAL-AWEZNQCLSA-N	288.338	1.518	10	20	CDCD	
Cc1cccc(O)c1CNCC(=O)NC1CCCC1	877009798	APKMROPQBUYKQP-UHFFFAOYSA-N	262.353	1.849	10	20	CDCD	
COc1ccc(CNC(=O)NC[C@H]2CC(C)=NO2)c(O)c1	875961905	UXMQFKBJNOHNIF-GFCCVEGCSA-N	293.323	1.365	10	20	CDCD	
CN1CC(=O)N(CCCSc2nccs2)C1=O	777648994	BIBSDBDAMKRFCQ-UHFFFAOYSA-N	271.367	1.519	10	20	CDCD	
COc1ccc(CNCCNC(=O)C(F)F)cc1C	1122404593	BUBUZHLNZROTLC-UHFFFAOYSA-N	272.295	1.475	10	20	CDCD	
CN1CCN(c2ccc(CN3CC[C@@](C)(O)C3)cc2)CC1	775734230	MYVKIILVJXGMNQ-QGZVFWFLSA-N	289.423	1.395	10	20	CDCD	
Cc1cc(C)c([C@@H](C)NC[C@@H](O)CN(C)C)c(O)c1	788593175	FUDIBJIWDKGHQO-CHWSQXEVSA-N	266.385	1.582	10	20	CDCD	
CC[C@@H]1CC[C@@H](C(=O)OCC(=O)c2ccc(O)c(O)c2)O1	784104050	MTWOUJSTHVDZOU-YGRLFVJLSA-N	294.303	1.781	10	20	CDCD	
CC1=C(C(=O)OCC(=O)c2ccc(O)c(O)c2)CCCO1	784379070	HQZVZRDEYHZGHU-UHFFFAOYSA-N	292.287	1.908	10	20	CDCD	
Cc1n[nH]cc1C(=O)OCC(=O)c1ccc(O)c(O)c1	785577919	RFPKGFQONSEGNY-UHFFFAOYSA-N	276.248	1.169	10	20	CDCD	
CCN(CCOCCO)Cc1cc(F)cc(F)c1O	894667970	PLHHBCCIDCHGQK-UHFFFAOYSA-N	275.295	1.501	10	20	CDCD	
COc1cc(C)cc(CNC[C@H](O)c2cnn(C)c2)c1O	894315502	JIKLZWCVUBKCSY-ZDUSSCGKSA-N	291.351	1.266	10	20	CDCD	
COc1ccc(CNC[C@@H]2CC[C@@H](O)C2)c(O)c1OC	893959567	KWQKGFJRIWVFIQ-ZYHUDNBSSA-N	281.352	1.660	10	20	CDCD	
CCn1ncnc1CNC(=O)/C=C/c1ccc(O)c(O)c1	794232605	LMIOFXPBWQCMBH-GQCTYLIASA-N	288.307	1.039	10	20	CDCD	
CN(CC(=O)NCC(F)(F)F)c1ccc(N)cc1	49310033	BCFXGHWLFUPNDK-UHFFFAOYSA-N	261.247	1.384	10	20	CDCD	
COC(=O)C(C)(C)NCc1ccc(N(C)C)cc1	37085230	ZTONMDTZRHUAKN-UHFFFAOYSA-N	250.342	1.794	10	20	CDCD	
COCCN1CC[C@H](N[C@H](C)c2cc(F)ccc2O)C1	273371045	CKMOZWBKFUUMPA-YPMHNXCESA-N	282.359	1.903	10	20	CDCD	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)CC	1321048639	LOYOQOHLYUDYRB-JTQLQIEISA-N	281.308	1.098	10	20	CDCD	
O=C(CNCc1c(O)cccc1Br)NC1CC1	706852277	ZJUPEOUSDDYHQV-UHFFFAOYSA-N	299.168	1.523	10	20	CDCD	
Oc1cc2c(cc1CN1CC[C@H](CF)C1)OCO2	711502581	MSICIWNRNNOGER-SECBINFHSA-N	253.273	1.912	10	20	CDCD	
Cc1ccc(O)c(CNS(=O)(=O)N(C)CC(C)C)c1	1329805302	GZQFMMTXCKLXMJ-UHFFFAOYSA-N	286.397	1.623	10	20	CDCD	
CCc1cccc(CN2CCC[C@H](S(C)(=O)=O)C2)c1O	692091633	FUHDLCXSVMOSDZ-AWEZNQCLSA-N	297.420	1.964	10	20	CDCD	
CCOC(=O)[C@H]1CNCCN1Cc1cc(C)ccc1O	88658259	UHGPNDPZZWLPJF-CYBMUJFWSA-N	278.352	1.038	10	20	CDCD	
CCCN1CCCN(Cc2ccc(N)cc2)CC1=O	1262487756	DRRYMQSBKMHJGS-UHFFFAOYSA-N	261.369	1.713	10	20	CDCD	
O=C(NCc1cccc(O)c1O)[C@H]1CCCC12OCCO2	1347541689	GAGMCJPQKSMMAF-LLVKDONJSA-N	293.319	1.257	10	20	CDCD	
CC[C@H](COC)N[C@@H](C)c1cccc(-c2nn[nH]n2)c1O	1604039108	GFKQKSHILMREAU-VHSXEESVSA-N	291.355	1.648	10	20	CDCD	
O=C(O)c1ccc(C(=O)N2Cc3cccc(O)c3C2)cn1	1606471584	AVZARTDAQQAPTJ-UHFFFAOYSA-N	284.271	1.641	10	20	CDCD	
Nc1ccc(NC(=O)N[C@H](CC(=O)O)C2CC2)cc1	1608273040	GDKJBKWGJQXCNV-LLVKDONJSA-N	263.297	1.644	10	20	CDCD	
O=C(O)[C@@H]1C[C@@H]1CNC(=O)N1Cc2cccc(O)c2C1	1602193400	BUBVPXCYJMHDAN-NXEZZACHSA-N	276.292	1.138	10	20	CDCD	
C[C@H](NC(=O)c1c(F)ccc(O)c1O)C1CCNCC1	1579482470	BBFJEZCLVFSECT-QMMMGPOBSA-N	282.315	1.355	10	20	CDCD	
CCN(CC)c1ccc(CNC[C@](C)(O)C(=O)O)cc1F	1589728812	QMDAADIFDAEZIH-HNNXBMFYSA-N	298.358	1.597	10	20	CDCD	
CN(C)c1ccc(/C=C/CNC[C@](C)(O)C(=O)O)cc1	1593709163	YFDFSXHZFIUPKS-RGDDUWESSA-N	278.352	1.191	10	20	CDCD	
C[C@@H](CC(=O)O)CC(=O)N[C@H](C)Cc1ccc(O)c(O)c1	1592381560	JUCDZZYCYANRCA-NXEZZACHSA-N	295.335	1.646	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)CCN)cc1F	167744107	PJYBULHMXVYQRP-UHFFFAOYSA-N	267.348	1.637	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC[C@]2(OC)CCOC2)c1	123265422	VVLOEUWJFYLDPG-XHDPSFHLSA-N	281.352	1.857	10	20	CDCD	
O=C1NC[C@@H]2CN(Cc3cccc(Cl)c3O)CCN12	124611509	DWROKRRBZAZFDD-SNVBAGLBSA-N	281.743	1.255	10	20	CDCD	
COc1ccc(N(C)C[C@@H](O)Cn2cccn2)cc1F	177070013	FVAIBIGHFVNNKQ-GFCCVEGCSA-N	279.315	1.528	10	20	CDCD	
O=C(O)C1CCN(C(=O)c2cccc(O)c2O)CC1	125982330	PFININFYHUKQJI-UHFFFAOYSA-N	265.265	1.035	10	20	CDCD	
COC(=O)C1(C(=O)NCc2ccc(N(C)C)cc2)CC1	124622805	MKMOSYMULGOLGX-UHFFFAOYSA-N	276.336	1.322	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N[C@@]2(C)CCOC2)cc1F	123752787	GUYUSTMGHNNHHB-HNNXBMFYSA-N	295.358	1.870	10	20	CDCD	
COc1cccc(CNC(=O)N[C@@H](C)CCN(C)C)c1O	73906803	NMQIDAASUQZRCK-NSHDSACASA-N	295.383	1.540	10	20	CDCD	
COCC[C@H](CO)NCc1ccc(N2CCOCC2)cc1	313298397	ATTNWKWWQUHCNS-OAHLLOKOSA-N	294.395	1.010	10	20	CDCD	
CC(C)NC(=O)NC(=O)[C@@H](C)Sc1nccs1	48875284	WRYBBPUMXPYGLO-SSDOTTSWSA-N	273.383	1.858	10	20	CDCD	
Cn1ncc2c(=O)[nH]c(CSc3nccs3)nc21	48874142	DPFJWYTXXKAPRG-UHFFFAOYSA-N	279.350	1.405	10	20	CDCD	
CCS(=O)(=O)C[C@H](C)N(C)Cc1ccccc1O	179575390	STURPCRPMRHOHM-NSHDSACASA-N	271.382	1.647	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CC[C@@H]2CCCN2)cc1	383348787	ZERXDMAXRRRJDQ-AWEZNQCLSA-N	275.396	1.901	10	20	CDCD	
CC[C@@H](NC[C@H](O)COC)c1ccc(N(C)C)cc1	268893249	KDEIRAZHYGVFTL-LSDHHAIUSA-N	266.385	1.801	10	20	CDCD	
NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1	368902158	RZCGYHYULFPFNY-UHFFFAOYSA-N	285.294	1.925	10	20	CDCD	
COC(=O)[C@H](NCc1cc(F)cc(C(C)=O)c1O)C1CC1	276258258	AQALJKZIJWIGGH-CYBMUJFWSA-N	295.310	1.775	10	20	CDCD	
COc1ccc(O)c(CN2CC[C@@H](N3CCCC3=O)C2)c1	276754788	FZWPHYMSYWGNTH-CYBMUJFWSA-N	290.363	1.598	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)[C@H]1CCc2cn[nH]c2C1	272289740	HAGJXXCDJYOQLA-JTQLQIEISA-N	287.319	1.242	10	20	CDCD	
CC[C@@H]1CC[C@H](C(=O)NCc2ccc(O)c(O)c2)O1	272267168	COUCSRBSFHNXOS-ZWNOBZJWSA-N	265.309	1.672	10	20	CDCD	
Cc1ccc(O)c([C@H](C)NCCCn2cc(CO)nn2)c1	289607649	CYNLAFFSJAKSNR-LBPRGKRZSA-N	290.367	1.525	10	20	CDCD	
CN(C[C@H](O)CN(C)C1CC1)c1ccc2c(c1)OCO2	289402720	SVOFWSBNHZFZSJ-CYBMUJFWSA-N	278.352	1.307	10	20	CDCD	
Cc1ncncc1C(=O)NCc1ccc(N(C)C)c(F)c1	299357130	WAANEKUJFRRQLZ-UHFFFAOYSA-N	288.326	1.920	10	20	CDCD	
CCCNS(=O)(=O)NCc1ccc2c(c1)CCCN2C	293246322	GMNHJEYGGOQFTD-UHFFFAOYSA-N	297.424	1.403	10	20	CDCD	
COc1ccc(O)c(CN2CC(C(C)(C)O)C2)c1	297356001	GZNDHFWKAILZIO-UHFFFAOYSA-N	251.326	1.604	10	20	CDCD	
COC(=O)C[C@H]1COCCN1Cc1cc(C)cc(C)c1O	808212039	DHACXOZDVOZFCX-AWEZNQCLSA-N	293.363	1.773	10	20	CDCD	
Cc1ccc(O)c([C@H](C)NC[C@H]2CNCCO2)c1	817983257	LGISCAKTCMCQPL-NWDGAFQWSA-N	250.342	1.340	10	20	CDCD	
C[C@@H](N)C[C@@H](C)NCc1ccc(N2CCOCC2)cc1	817896221	ZPCDGFNZERNXJJ-ZIAGYGMSSA-N	277.412	1.739	10	20	CDCD	
CC(=O)c1cc(F)cc(CN(C)C[C@H](C)C(=O)O)c1O	825946906	WPRVQZOUWQDOFD-QMMMGPOBSA-N	283.299	1.886	10	20	CDCD	
CC[C@H](C)NC(=O)[C@@H](C)NC(=O)NCc1ccccc1O	726249289	UMGPWJMLBKNJAQ-WDEREUQCSA-N	293.367	1.495	10	20	CDCD	
CCCOC(=O)CCNC(=O)c1cc(O)cs1	732288822	GJTIAQJBRUMQQB-UHFFFAOYSA-N	257.311	1.527	10	20	CDCD	
C[C@@H](O)[C@@H]1CCCCN1C(=O)c1cc(O)cs1	831732431	JLQXZADCNHXZFF-SCZZXKLOSA-N	255.339	1.829	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)NCCCC(=O)O	738231067	PEKZVJSCVJOJOV-UHFFFAOYSA-N	293.367	1.725	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1COCCO1	734405033	QSKPVLRTSWIOCX-CQSZACIVSA-N	278.352	1.093	10	20	CDCD	
O=C(C[C@@H]1CCNC1)NCc1c(O)ccc2c1CCCC2	830597134	AMARUYIXUPNBRW-LBPRGKRZSA-N	288.391	1.887	10	20	CDCD	
C[C@@]1(C(=O)NCc2ccc(O)cc2O)CC1(F)F	910945771	YJATVBARRDNNMB-NSHDSACASA-N	257.236	1.759	10	20	CDCD	
CCc1cccc(CN2CCC[C@H](C(N)=O)C2)c1O	848875620	BVUJAWWOPJSPCS-ZDUSSCGKSA-N	262.353	1.652	10	20	CDCD	
C[C@@H](NC(=O)NC[C@H](N)C1CC1)c1ccc(N(C)C)cc1	841881714	CNUXNOAJYXLUBP-ABAIWWIYSA-N	290.411	1.850	10	20	CDCD	
O=C(NCc1ccccc1O)N[C@@H]1CCN2CCC[C@@H]2C1	748460346	OFGQDFFJSLKZPW-ZIAGYGMSSA-N	289.379	1.818	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC[C@@H]1C[C@H](F)CN1	841079687	PAJMGUDNOBDOON-KBPBESRZSA-N	265.376	1.851	10	20	CDCD	
C[C@@H](CN)CNCc1ccc(N2CCOCC2)cc1	841048076	GQAZJANILKHCLD-ZDUSSCGKSA-N	263.385	1.208	10	20	CDCD	
C[C@](O)(CNC(=O)Cc1ccc(N)cc1)c1ccsc1	846689878	YNXXGQRPRQYELU-HNNXBMFYSA-N	290.388	1.897	10	20	CDCD	
CNCCCN(Cc1ccccc1O)C[C@H]1CCCO1	843356448	PYAUOFIPXIIREW-OAHLLOKOSA-N	278.396	1.983	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1CCN2C(=O)CC[C@@H]2C1	840913173	STOARYONUNXARU-MRXNPFEDSA-N	287.407	1.868	10	20	CDCD	
O=C(NCc1cc(Cl)ccc1O)C1(O)CCC1	846472564	AGEHGRQCRONYSO-UHFFFAOYSA-N	255.701	1.577	10	20	CDCD	
CNC(=O)NC(=O)CN(CC(C)C)c1ccc(OC)cc1	746171255	XHUFFNCHPNVBEV-UHFFFAOYSA-N	293.367	1.613	10	20	CDCD	
CC[C@H](CN1CCOCC1)NC(=O)c1cc(O)cs1	928647032	HZDVJJUCMSJUAH-SNVBAGLBSA-N	284.381	1.294	10	20	CDCD	
COc1cccnc1N(C)C(=O)/C=C\c1cnn(C)c1	753329798	WASNFGQPNARDPS-SREVYHEPSA-N	272.308	1.500	10	20	CDCD	
NCc1ccc2c(c1)CCCN2C[C@@]12CNC[C@@H]1C2	853246584	NABKRQMAFFVZFP-GOEBONIOSA-N	257.381	1.507	10	20	CDCD	
CCOc1cccc(CN[C@@H]2COC[C@@H]2OC)c1O	839193040	NGAUFQHCHGQILA-YPMHNXCESA-N	267.325	1.294	10	20	CDCD	
COc1ccc(O)c(CNC(=O)C2(O)CCSCC2)c1	765176000	HMFHQGFDRREQFR-UHFFFAOYSA-N	297.376	1.275	10	20	CDCD	
COC[C@@H]1CCCN(Cc2cc3c(cc2O)OC[C@H]3O)C1	768446384	JZYYUDAOBIQNQW-IAQYHMDHSA-N	293.363	1.676	10	20	CDCD	
Cc1cccc(O)c1CNC[C@H](C)CN1CCOCC1	877057131	VFHLNDCOQQQTOV-ZDUSSCGKSA-N	278.396	1.759	10	20	CDCD	
COC[C@H]1CN(Cc2c(C)cccc2O)C[C@H](C)O1	877465165	VNKFYHCCZPIJHV-QWHCGFSZSA-N	265.353	1.936	10	20	CDCD	
Cn1c(-c2nnc(C3=S=C4CCCC4=C3)o2)cccc1=O	1118070610	KJSXUIUSAVSRGL-UHFFFAOYSA-N	299.355	1.985	10	20	CDCD	
COCC[C@@]1(NCc2cccc(OC)c2O)CCOC1	775033128	KZCAGXUOTHYQNC-OAHLLOKOSA-N	281.352	1.686	10	20	CDCD	
OCC[C@H]1CCCN1Cc1cc2c(cc1O)OCO2	779202582	OULRDVWVIIYROZ-LLVKDONJSA-N	265.309	1.468	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2ccncn2)c1	779002460	YOWDAJDYXQPOKH-UHFFFAOYSA-N	259.265	1.121	10	20	CDCD	
CCN(Cc1ccc(N2CCC(O)CC2)cc1)[C@H](C)CO	877543356	FPXHNXWMOREJRL-CQSZACIVSA-N	292.423	1.850	10	20	CDCD	
Nc1ccc(CCNC(=O)[C@H](N)C2CCCCC2)cc1	1118256586	YCRBPGKPNBRINH-OAHLLOKOSA-N	275.396	1.835	10	20	CDCD	
COCCC(=O)NCc1ccc(N2CCN(C)CC2)cc1	881851358	IYCAKKWCUAHDQP-UHFFFAOYSA-N	291.395	1.091	10	20	CDCD	
CCNC(=O)CCC(=O)N[C@H](C)c1ccc(N(C)C)cc1	775410792	MPXUIXSNKCHKRE-GFCCVEGCSA-N	291.395	1.846	10	20	CDCD	
CC1(C)CN(Cc2c(O)cccc2Cl)CCN1CCO	783713756	HVASSIWEQURVLN-UHFFFAOYSA-N	298.814	1.934	10	20	CDCD	
COc1ccc(O)c(CNC(=O)NC[C@H]2CCC=CO2)c1	780462713	PVBFDHMDNMFIER-CYBMUJFWSA-N	292.335	1.893	10	20	CDCD	
COc1cc(O)c(CNCC[C@@H](O)C2CC2)cc1OC	898202955	OPTGCPVODHNGQX-GFCCVEGCSA-N	281.352	1.660	10	20	CDCD	
CN(C)c1ccc(CNC[C@H](O)CO)c(C(F)(F)F)c1	793170659	TXEZBNHALSZRJK-NSHDSACASA-N	292.301	1.214	10	20	CDCD	
COc1ccc(N2CCC(NC(=O)NCCF)CC2)cc1	798099886	UMMLCVWVZWAYBM-UHFFFAOYSA-N	295.358	1.933	10	20	CDCD	
CN(C)c1ccc(CN2CCOC[C@H]2C(=O)O)cc1	88381547	FRCHWACVMQFQAB-ZDUSSCGKSA-N	264.325	1.038	10	20	CDCD	
COc1ccc(O)c(CN[C@@H](CO)CC(F)(F)F)c1	717767264	GLHTVEGVPBDSNB-SECBINFHSA-N	279.258	1.804	10	20	CDCD	
CO[C@@H]1CCN(C(=O)NCc2ccc(N)cc2)[C@@H](C)C1	1335737481	PYPMOLQAYBYFEJ-SMDDNHRTSA-N	277.368	1.978	10	20	CDCD	
Cc1ccc(O)c(CNS(=O)(=O)CC(C)C)c1	1331365870	WUCGAJYRZIDFQH-UHFFFAOYSA-N	257.355	1.776	10	20	CDCD	
CCN(CC)[C@@H]1CCN(C(=O)NCc2ccc(N)cc2)C1	1335736507	BMOPAKKIDDGOFS-OAHLLOKOSA-N	290.411	1.895	10	20	CDCD	
Nc1ccc(CNC(=O)NCC2CCNCC2)cc1	1336117207	QOOCJLVSJKIGHX-UHFFFAOYSA-N	262.357	1.068	10	20	CDCD	
CN[C@H](C)CCNC(=O)NCc1ccc(N(C)C)c(F)c1	1261376139	INEXELLMRCKGAQ-LLVKDONJSA-N	296.390	1.689	10	20	CDCD	
COC[C@H](C)n1nnnc1N(C)Cc1ccccc1O	1351027188	YCRRWOXHFNGVCN-JTQLQIEISA-N	277.328	1.223	10	20	CDCD	
C[C@@H](NC(=O)CCc1nccn1C)c1ccccc1O	1521807507	ONVDUBYSQWGMCO-LLVKDONJSA-N	273.336	1.936	10	20	CDCD	
O=C(O)c1coc(C(=O)NCCc2ccc(O)c(O)c2)c1	1602549655	REBRJCKZIVCKLJ-UHFFFAOYSA-N	291.259	1.362	10	20	CDCD	
CC[C@@H](CNC(=O)COC)NCc1ccc(OC)c(C)c1	1753464938	URVIJXGOOZUITK-AWEZNQCLSA-N	294.395	1.634	10	20	CDCD	
O=C(O)CC1(C(=O)NCc2ccc(O)c(O)c2)CCC1	1594976234	HKDGZPRYQXWTNZ-UHFFFAOYSA-N	279.292	1.359	10	20	CDCD	
CCN(C)c1ccc(CN2C[C@H](C)O[C@H](C(=O)O)C2)cc1	1776856163	WOJFNLJYSZZJCY-WFASDCNBSA-N	292.379	1.817	10	20	CDCD	
c1cc(N2CCOCC2)ccc1CN[C@@H]1C[C@H]2CC[C@@H]1O2	152977075	PYZAEHVENYSDTI-ZACQAIPSSA-N	288.391	1.933	10	20	CDCD	
COc1cc(CN(C)[C@H]2CCS(=O)(=O)C2)c(O)cc1C	159614487	NLEFHSWTNVFRJY-LBPRGKRZSA-N	299.392	1.328	10	20	CDCD	
CC(C)NC(=O)[C@@H](C)NCc1ccc(N(C)C)cc1	157780589	AIRBVYRSFBGIEZ-GFCCVEGCSA-N	263.385	1.755	10	20	CDCD	
C[C@@H]1C[C@@H](CNC(=O)c2cccc(O)c2O)CCO1	279877391	RKMSVPDFOVIYGO-ZJUUUORDSA-N	265.309	1.643	10	20	CDCD	
COCC1CCN(C(=O)Cc2ccc(N)cc2)CC1	70079871	JBXMLIMEMSCMAH-UHFFFAOYSA-N	262.353	1.696	10	20	CDCD	
Cc1cccc(CN2C[C@H](C)S(=O)(=O)[C@@H](C)C2)c1O	401054032	MHKVRVNAHQIRMN-RYUDHWBXSA-N	283.393	1.708	10	20	CDCD	
COc1ccc(CN[C@@](C)(C(N)=O)C(C)C)cc1C	388935926	UITIATPHJUGAPM-OAHLLOKOSA-N	264.369	1.993	10	20	CDCD	
CN1CCCc2cc(CNC(=O)Cn3cccn3)ccc21	58769218	UGQNLVHKEIXPNP-UHFFFAOYSA-N	284.363	1.582	10	20	CDCD	
O=C(NCc1c(O)ccc2c1CCCC2)c1cnccn1	174510523	YLTPDGWAOJBJTE-UHFFFAOYSA-N	283.331	1.991	10	20	CDCD	
Cc1cc(O)c(CN2CCS(=O)CC2)cc1C	118947683	QQWZJQNHEGOLMV-UHFFFAOYSA-N	253.367	1.573	10	20	CDCD	
COCCn1cc(NC(=O)c2ccc(C)c(O)c2O)cn1	177673397	MLOQLKQCRYQMSP-UHFFFAOYSA-N	291.307	1.501	10	20	CDCD	
COc1ccc(N2CCCN(CC3OCCO3)CC2)cc1	182068403	BHJXHEWNXYWOHC-UHFFFAOYSA-N	292.379	1.580	10	20	CDCD	
CNCCCN1CCN(c2ccc(OC)cc2)CC1	32113265	INPLXEUPBNOTLR-UHFFFAOYSA-N	263.385	1.427	10	20	CDCD	
CO[C@@H]1CC(=O)N(CN(C)Cc2ccc(N(C)C)cc2)C1	189040776	KGZLMXRXXYRHRT-OAHLLOKOSA-N	291.395	1.389	10	20	CDCD	
COc1ccc(O)c(CN2CCC[C@@H](C3OCCO3)C2)c1	180014656	YRUWJAWYDKGWHS-GFCCVEGCSA-N	293.363	1.986	10	20	CDCD	
CO[C@H](CNC(=O)c1cccc(O)c1O)C(C)(C)C	185777102	HUMZHDHNRXMZLA-LLVKDONJSA-N	267.325	1.889	10	20	CDCD	
C[C@H](NCC1(CO)COC1)c1cc2c(cc1O)CCCC2	186146332	JMTYOEBCHXUYOC-LBPRGKRZSA-N	291.391	1.931	10	20	CDCD	
COc1ccc(N2CCN(C(=O)[C@H](C)OC)CC2)cc1	77551593	ZWIWOVQNKJYULR-LBPRGKRZSA-N	278.352	1.379	10	20	CDCD	
COCCN(CCOC)Cc1cc(C)ccc1O	133409690	QCJDDYHKWFGMKE-UHFFFAOYSA-N	253.342	1.795	10	20	CDCD	
Cc1ccc(O)c(CN2CCC[C@@H](CC(N)=O)C2)c1	93809168	UWEMUIXQGAEPRQ-LBPRGKRZSA-N	262.353	1.788	10	20	CDCD	
CC1(C)[C@H](NC(=O)c2c(F)ccc(O)c2O)[C@@H]2CCO[C@H]21	276511581	BIBPEWJMLXZSCI-HAGUPOPPSA-N	295.310	1.780	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNCCC[C@H](C)CO)c1O	278487403	KSMLRGLJEYJEBB-JTQLQIEISA-N	298.339	1.807	10	20	CDCD	
Cc1ccc(C(=O)N[C@H](C)Cn2cccn2)c(O)c1O	271331314	ZCCWUCPKWMTQBZ-SNVBAGLBSA-N	275.308	1.421	10	20	CDCD	
C[C@@H]1CN(C(=O)c2c(F)ccc(O)c2O)C[C@H]1C	276639183	XKVOAHVDLONCQR-HTQZYQBOSA-N	253.273	1.965	10	20	CDCD	
CCOc1cccc(CN[C@@H](C(=O)OC)C2CC2)c1O	276441690	ITLSBTGSPARSOL-CYBMUJFWSA-N	279.336	1.832	10	20	CDCD	
COC[C@H](CNC(=O)N(C)Cc1ccccc1O)OC	272971590	OLZRHVSTBUZPJL-LBPRGKRZSA-N	282.340	1.195	10	20	CDCD	
COc1ccc(O)c([C@H](C)NCCC2(O)CCOCC2)c1	287330667	FYEMHEWSKGUNKR-LBPRGKRZSA-N	295.379	1.983	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)c1ncn(C)n1	289908312	UYQHNXILGFYPTI-UHFFFAOYSA-N	274.324	1.573	10	20	CDCD	
CN1CCC(N(C)CCN(C)Cc2ccccc2O)CC1	289808541	NJCRAAREENPQBI-UHFFFAOYSA-N	291.439	1.850	10	20	CDCD	
C[C@H](N[C@H]1C[C@@H](O)C1)c1cc([N+](=O)[O-])ccc1O	295824563	CBHIQTHRTSRPKU-OYNCUSHFSA-N	252.270	1.474	10	20	CDCD	
C[C@@H](CN(C)C)NCc1cc([N+](=O)[O-])ccc1O	290055319	GTLWICBXYNFJBZ-VIFPVBQESA-N	253.302	1.340	10	20	CDCD	
Cn1cc(CNCc2cc(Cl)c(F)cc2O)nn1	816567410	ZTQOYLGYBUYAFH-UHFFFAOYSA-N	270.695	1.603	10	20	CDCD	
C[C@@H](NCCc1ccc(N)cc1)c1c[nH]ccc1=N	817957072	IHHATKFPBDVEFD-LLVKDONJSA-N	256.353	1.970	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)NCCCN(C)C)c1	729041611	VBHOANCPWPAJDM-NSHDSACASA-N	295.383	1.713	10	20	CDCD	
COc1ccc(N(CC(=O)NCC(=O)O)C(C)C)cc1F	820841369	QXPAMEUQWKDVNA-UHFFFAOYSA-N	298.314	1.250	10	20	CDCD	
COC[C@@H](OC)C(=O)N[C@H](C)c1cc(OC)ccc1O	830540808	NQMLZMWPBIZIMZ-NOZJJQNGSA-N	283.324	1.239	10	20	CDCD	
CN(C)c1ccc(CN[C@@H](CO)[C@H]2CCCOC2)cc1	839648752	DFLAXITWLZFKGM-HOCLYGCPSA-N	278.396	1.630	10	20	CDCD	
COc1ccc(CNC(=O)CC(C)(C)N)c(O)c1	832177544	AECDXASFLZMBEC-UHFFFAOYSA-N	252.314	1.144	10	20	CDCD	
CN(C)c1ccc([C@@H](N)CNC(=O)c2ccoc2)cc1	832292709	KIAVXMIPBLGOEU-AWEZNQCLSA-N	273.336	1.775	10	20	CDCD	
CCC[C@@H](C)C(=O)NCCNC(=O)c1cc(O)cs1	832835461	VYQIBZOEXZUHOG-SECBINFHSA-N	284.381	1.736	10	20	CDCD	
O=C1[C@@H](NCc2ccc3c(c2)CCO3)C[C@@H]2CCCCN12	835072300	FLBZHHUHDFBIOY-GJZGRUSLSA-N	286.375	1.865	10	20	CDCD	
CC[C@@H](O)[C@H](C)C(=O)NCc1cc(C)ccc1O	913000294	GLLOZUCPTPLPCY-CMPLNLGQSA-N	251.326	1.724	10	20	CDCD	
C[C@@H]1CCC[C@]1(O)CNC(=O)NCCc1ccc(N)cc1	841955904	QYAKZFNVMICMPE-WBMJQRKESA-N	291.395	1.662	10	20	CDCD	
C[C@H]1C[C@@H](CNC(=O)NCCc2ccc(N)cc2)CCO1	841870049	VNGNSLUDCPUQMJ-JSGCOSHPSA-N	291.395	1.926	10	20	CDCD	
C[C@@H](C(=O)NCc1cc(Cl)ccc1O)N(C)C	846476805	QRUZDHGKSNMEJD-QMMMGPOBSA-N	256.733	1.612	10	20	CDCD	
CO[C@H](C)CS(=O)(=O)NCc1cc(Cl)ccc1O	845996281	NXAQSIWUAWXDII-MRVPVSSYSA-N	293.772	1.500	10	20	CDCD	
CNC(=O)[C@H]1CN(Cc2ccc(N(C)C)cc2C)CCO1	840936023	DEGQYQXFXAUZOO-OAHLLOKOSA-N	291.395	1.008	10	20	CDCD	
CN(Cc1cc2c(cc1O)OCO2)C1CCNCC1	843046414	VCXOJXMRLLSFFG-UHFFFAOYSA-N	264.325	1.305	10	20	CDCD	
OC[C@H]1CN(Cc2cc(Cl)cc(F)c2O)CC[C@@H]1O	840974756	FYAUORJMSNBLNJ-SKDRFNHKSA-N	289.734	1.360	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)NCCC(C)(C)N)c1	925737458	IWDFTRWWGOWOCO-JTQLQIEISA-N	280.368	1.957	10	20	CDCD	
C[C@@]1(CNCc2ccc3c(c2)CCCO3)CCC(=O)N1	922170628	SVXODXVQEVJZJW-INIZCTEOSA-N	274.364	1.770	10	20	CDCD	
CCn1cnnc1NCc1cc(F)cc(F)c1O	922662206	ZVDAPOSICXCYCF-UHFFFAOYSA-N	254.240	1.894	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCC(=O)N2C)c1	752595392	DTZALTMRMSQEGK-CABZTGNLSA-N	292.335	1.199	10	20	CDCD	
CN(C)c1cc(F)c(CNCCN2CCCC2=O)cc1F	858183269	ACFJHCCFZLSJBH-UHFFFAOYSA-N	297.349	1.743	10	20	CDCD	
O=C(N[C@H](CCO)C1CCOCC1)c1cc(O)cs1	764483424	AMNQICPOVHWCGT-LLVKDONJSA-N	285.365	1.361	10	20	CDCD	
COc1cccc(O)c1CN1CCS(=O)(=O)C[C@@H](C)C1	763674783	ZCJGCXNJBNSZCX-NSHDSACASA-N	299.392	1.267	10	20	CDCD	
C[C@@H](NC(=O)[C@@]1(N)CC1(F)F)c1ccccc1O	870988392	OIWYTIINQVOHKG-HQJQHLMTSA-N	256.252	1.306	10	20	CDCD	
COc1ccc(N2CCC(NC[C@H]3C[C@H](N)C3)CC2)cc1	873256587	AMCAUOHTEIUJTK-HDJSIYSDSA-N	289.423	1.991	10	20	CDCD	
Cc1cccc(O)c1CN1CC[C@H](NC(=O)NC2CC2)C1	877352935	MEFYXOXJJQQQDG-ZDUSSCGKSA-N	289.379	1.737	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2CCCC2)c1O	774821700	PTUCSYKAHAKOIM-UHFFFAOYSA-N	252.270	1.905	10	20	CDCD	
Cc1ccc(CN2CCS(=O)(=O)[C@@H](C)[C@@H]2C)c(O)c1	876753933	KSDWEOWWWIMPPR-RYUDHWBXSA-N	283.393	1.708	10	20	CDCD	
CCOCCN(C)Cc1ccc(N2CCN(C)CC2)cc1	779597725	FOHFQEIQVNICSG-UHFFFAOYSA-N	291.439	1.907	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC[C@@H](O)COCC2CC2)c1	775374484	CDJHVMJTEOUXBU-WCQYABFASA-N	295.379	1.839	10	20	CDCD	
O=C(NCc1ccccc1O)NOC1CCOCC1	773522713	GNICIYLRFAOFOQ-UHFFFAOYSA-N	266.297	1.302	10	20	CDCD	
C[C@H](NCCCNS(C)(=O)=O)c1c(O)cccc1F	886496879	KJMUIAZBSKEVIZ-VIFPVBQESA-N	290.360	1.121	10	20	CDCD	
OC[C@@]12C[C@H]1CN(Cc1cc(Cl)cc(F)c1O)C2	783733703	ITSIHYQXHTVEII-ZANVPECISA-N	271.719	1.999	10	20	CDCD	
CC[C@@H](CO)N(C)Cc1ccc(OC)c(OC)c1O	894664652	WVJKALXPZFQTDD-NSHDSACASA-N	269.341	1.612	10	20	CDCD	
Cc1cccc(CN[C@H](C)CC[S@@](C)=O)c1O	164756465	QVKRTKZHAAWKGX-DIFFPNOSSA-N	255.383	1.947	10	20	CDCD	
Cc1cccc(CNC[C@H]2CCS(=O)(=O)C2)c1O	83514553	QQGKDOFPXBSAEK-LLVKDONJSA-N	269.366	1.225	10	20	CDCD	
CN1C[C@@H](COC(=O)c2cc(O)cs2)OC1=O	1324491718	NGTQYXNUMCWZFG-ZETCQYMHSA-N	257.267	1.061	10	20	CDCD	
CO[C@@]1(C)C[C@H]1NCc1cc2c(cc1O)OCO2	694413772	AHPQZGYFNNCTTH-OLZOCXBDSA-N	251.282	1.388	10	20	CDCD	
COc1ccc(CN[C@@H](CCC(=O)O)C(=O)O)cc1C	1331994704	JIQAJEWSPFNJTI-NSHDSACASA-N	281.308	1.411	10	20	CDCD	
C[C@@H](Cc1ccncc1)NC(=O)c1cccc(O)c1O	790864137	KWHBUMSNRDKBRO-JTQLQIEISA-N	272.304	1.854	10	20	CDCD	
O=C(NCc1cccc(O)c1O)[C@H]1C[C@@]12CCOC2	1347232832	CFCPWZVBRFJGLU-QMTHXVAHSA-N	263.293	1.141	10	20	CDCD	
COc1cccc(O)c1CNC[C@H](CO)C(C)C	808421399	FQYMDAGVHYNZBK-LLVKDONJSA-N	253.342	1.755	10	20	CDCD	
O=C(CC[C@@H]1CCCO1)NCc1cccc(O)c1O	1528771680	UGXGWKKDEDVTOZ-NSHDSACASA-N	265.309	1.673	10	20	CDCD	
O=C(O)c1ccc(C(=O)NCc2ccc(O)c(O)c2)o1	1608874685	WNSGTCGRHHPGHP-UHFFFAOYSA-N	277.232	1.319	10	20	CDCD	
CON(C(=O)/C=C\c1ccc(O)c(O)c1)[C@H](C)CC(=O)O	1606986028	YVQUOYXNOXSNRT-XTULLQBASA-N	295.291	1.364	10	20	CDCD	
O=C(O)c1ccc(CNC(=O)c2c(F)ccc(O)c2O)o1	1602343845	SIACVMPVVCCXHJ-UHFFFAOYSA-N	295.222	1.458	10	20	CDCD	
C[C@@H](NCCc1cn[nH]c1)c1cc(C(=O)O)ccc1O	1593276125	WXXPNXLEUNFTMT-SECBINFHSA-N	275.308	1.707	10	20	CDCD	
CN(C)c1ccc(CNC[C@](C)(O)CC(=O)O)cc1	1777040265	MSPHLSXNKUGORH-CQSZACIVSA-N	266.341	1.068	10	20	CDCD	
O=[N+]([O-])c1ccc(O)c(CN[C@@H]2C[C@H]3CC[C@@H]2O3)c1	152781219	GWNNDOGDMHXBBU-WZRBSPASSA-N	264.281	1.710	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)CCn2cccn2)c1	153923166	SFQPDVCCVSPVMZ-LLVKDONJSA-N	289.335	1.865	10	20	CDCD	
CN(C)c1ccc(CNCCC(=O)N2CCOCC2)cc1	159255715	LHBMJHYGHFWJLO-UHFFFAOYSA-N	291.395	1.091	10	20	CDCD	
O=C(O)[C@H]1CCN(Cc2ccc(Cl)cc2O)C1	1594933715	JDACSOHWNOXNPK-VIFPVBQESA-N	255.701	1.952	10	20	CDCD	
CC[C@@H](C)N(C)CCNC(=O)Cc1ccc(N)cc1	226396364	HBIBXYQQPZYKSP-GFCCVEGCSA-N	263.385	1.658	10	20	CDCD	
COc1ccc(O)c(CNC[C@H]2COC(C)(C)O2)c1	230203235	OJUXRVFHUVOBBG-LBPRGKRZSA-N	267.325	1.642	10	20	CDCD	
C[C@H](CNC(=O)c1cccc(O)c1O)CN1CCCC1	126398939	QJYSNVSAEXZYFE-LLVKDONJSA-N	278.352	1.560	10	20	CDCD	
CC[C@H](C)[C@H](O)CNC(=O)Cc1ccc(N)cc1	157841280	AOARXVOLTCNTDE-GXFFZTMASA-N	250.342	1.335	10	20	CDCD	
CCN1CC[C@@H](CNC(=O)Cc2ccc(N)cc2)C1	37643442	YZLRQRDEBTYOMX-ZDUSSCGKSA-N	261.369	1.269	10	20	CDCD	
CCN(CC)c1ccc(CN[C@@H](C)C(=O)NC)cc1	48416649	ULTCMAKQILVITR-LBPRGKRZSA-N	263.385	1.757	10	20	CDCD	
CCc1nc(C)c(CNC(=O)c2cccc(O)c2O)o1	294036134	OGDPSVLZJUPRLR-UHFFFAOYSA-N	276.292	1.887	10	20	CDCD	
CC[C@@H](C)[C@H](CNC(=O)c1cccc(O)c1O)OC	294239946	PCXSXRBGGTUSQF-SKDRFNHKSA-N	267.325	1.889	10	20	CDCD	
COCC[C@](C)(O)CN[C@@H](C)c1ccc(F)cc1O	185467178	TYAPCCDSZQNLHP-HZMBPMFUSA-N	271.332	1.969	10	20	CDCD	
Cc1ccc([C@H](C)NCC2(CO)COC2)c(O)c1	186146392	MPURDGGPWWBGDB-NSHDSACASA-N	251.326	1.360	10	20	CDCD	
COc1cccc(CN[C@H]2CCNC(=O)CC2)c1O	396770304	SCSKNDUANOLSHF-LLVKDONJSA-N	264.325	1.159	10	20	CDCD	
COc1ccc(O)c(CN2CCCC[C@H]2C(N)=O)c1	179581603	SNZFFHMTUZTVET-LBPRGKRZSA-N	264.325	1.241	10	20	CDCD	
CO[C@@]1(CN[C@H](C)c2ccccc2O)CCOC1	123273522	VVBMCXOHQDRXEL-BXUZGUMPSA-N	251.326	1.848	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCC[C@@H](c2ccn[nH]2)C1	187024779	BHSDHWYCCMGUNX-SNVBAGLBSA-N	287.319	1.841	10	20	CDCD	
Cc1cc(C)n(CCCNC(=O)c2cccc(O)c2O)n1	186822987	VKRMJBVHNJMGHP-UHFFFAOYSA-N	289.335	1.731	10	20	CDCD	
CN1CCC[C@@H]2CN(C(=O)c3cccc(O)c3O)CC[C@H]21	228932949	IUVGXEUDAGGSPL-DGCLKSJQSA-N	290.363	1.654	10	20	CDCD	
CO[C@@H]1CCN(Cc2cc3c(cc2O)OCO3)C1	234937311	SRPKIEACFKHTMZ-SNVBAGLBSA-N	251.282	1.342	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)[C@@H]1CNCCO1	236732903	GCVQETPEQQUGDP-AWEZNQCLSA-N	278.352	1.119	10	20	CDCD	
COc1cccc(CNc2nnnn2-c2ccccc2)c1O	91479210	HXWUSOVKRPZAFN-UHFFFAOYSA-N	297.318	1.989	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)Nc2ncnn2C)c1	91185819	SAEVOZNPZCDGFO-QMMMGPOBSA-N	291.311	1.412	10	20	CDCD	
Cc1ccc(C(=O)NC[C@H]2CCO[C@H](C)C2)c(O)c1O	272982286	MBZABLULVOOWGP-MNOVXSKESA-N	279.336	1.951	10	20	CDCD	
CCOC(=O)[C@H](NC(=O)c1cccc(O)c1O)[C@H](C)CC	279361965	SUOVJPCQXYYWPI-BXKDBHETSA-N	295.335	1.805	10	20	CDCD	
O=C(NCCF)NCc1ccc(N2CCOCC2)cc1	281727979	JQPMKPDLLDKOAQ-UHFFFAOYSA-N	281.331	1.292	10	20	CDCD	
Cc1ccc(O)c(CN2CC[C@@H]3NC(=O)OC[C@H]3C2)c1	281263335	NJLQLPUVCZIYSN-OLZOCXBDSA-N	276.336	1.631	10	20	CDCD	
CCn1cnnc1NC(=O)/C=C\c1ccc(O)c(O)c1	803526832	MNQBTLWCARCLDZ-XQRVVYSFSA-N	274.280	1.361	10	20	CDCD	
CC1(C)[C@@H](O)C[C@@H]1NC(=O)c1c(F)ccc(O)c1O	295759622	OUKXLSRVWAAJKI-IUCAKERBSA-N	269.272	1.126	10	20	CDCD	
CCOc1cc(C(=O)NCc2cccc(OC)c2O)on1	294793212	DMQJQLBOIVVTGH-UHFFFAOYSA-N	292.291	1.718	10	20	CDCD	
COCC1(CNCc2c(O)cccc2OC)CCOCC1	813780448	BELNEALKDXBUMR-UHFFFAOYSA-N	295.379	1.934	10	20	CDCD	
CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@H]1C[C@H]1C	819694800	NTVRNIXBQSVLLN-YPMHNXCESA-N	291.347	1.940	10	20	CDCD	
CC1(C(=O)NCCCSc2nccs2)CNC1	817942079	WOTZPAGGJFVUQO-UHFFFAOYSA-N	271.411	1.351	10	20	CDCD	
COc1cccc(O)c1CN1CCC[C@@H](CO)CC1	816666334	KVAAWDQSDPZQEW-GFCCVEGCSA-N	265.353	1.995	10	20	CDCD	
CN1C[C@H](NCc2cc(Cl)cc([N+](=O)[O-])c2O)CC1=O	726797748	WAOLSVXIWGEPJM-SECBINFHSA-N	299.714	1.274	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)NCc2cc[nH]n2)c1	729047122	AHNBVHIGWUUBIZ-VIFPVBQESA-N	290.323	1.684	10	20	CDCD	
CO[C@@H](CN)CC(=O)NCCCSc1nccs1	829528234	NAJAQBKLJLTUCL-SECBINFHSA-N	289.426	1.105	10	20	CDCD	
CCN(CC)C[C@@H](C)NC(=O)c1c(F)ccc(O)c1O	825567542	BSPZLDDOQIHHNS-SECBINFHSA-N	284.331	1.697	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@H]2[C@H]3C(=O)CC[C@H]32)cc1F	906454835	SCJNFXMOWQLESD-VCTAVGKDSA-N	290.338	1.733	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)CC(=O)OC)cc1F	906628477	RLZBFNZACCGPBJ-UHFFFAOYSA-N	296.342	1.851	10	20	CDCD	
CC[C@@H](O)[C@@H](C)C(=O)NCc1ccc(N(C)C)c(F)c1	900434252	JDEYBKUTWRMGRT-QMTHXVAHSA-N	282.359	1.915	10	20	CDCD	
CN(C)c1ccc([C@@H](N)CNC(=O)c2ccon2)cc1	832272661	IILAULIJMNRQLS-LBPRGKRZSA-N	274.324	1.170	10	20	CDCD	
COc1ccc(O)c(CN[C@H](C)[C@H]2CCOC2)c1	163297991	YCCPZARVMXMIJQ-MNOVXSKESA-N	251.326	1.915	10	20	CDCD	
C[C@@H](NC[C@H](O)Cn1ccnn1)c1ccc(N(C)C)cc1	840808866	YBODVUQQMLKTEP-DOMZBBRYSA-N	289.383	1.056	10	20	CDCD	
CC[C@@H]1C[C@@H](C)CN1C(=O)C(=O)Nc1ccc(N)cc1	841057226	YWBUTRZZCTUTBD-ZWNOBZJWSA-N	275.352	1.854	10	20	CDCD	
CN1CCN(Cc2c(O)ccc(Cl)c2F)[C@H](CN)C1	843121278	BLMIRBDQEQLILC-SECBINFHSA-N	287.766	1.259	10	20	CDCD	
O=C1CC[C@@H](C(=O)NCc2cc(Cl)ccc2O)CN1	846473115	OZYUYLOHXFSURH-MRVPVSSYSA-N	282.727	1.188	10	20	CDCD	
CCC[C@H]1CNCCN1Cc1cc2c(cc1O)OCO2	843058011	KYODSMSIUYJWLF-LBPRGKRZSA-N	278.352	1.695	10	20	CDCD	
CCOc1cccc(CNC[C@H](C)C(=O)O)c1O	848637918	NESHETCVYAQUDL-VIFPVBQESA-N	253.298	1.601	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CCc2cn[nH]c2)cc1	863852638	UESLRPHXCLIWAA-UHFFFAOYSA-N	272.352	1.725	10	20	CDCD	
NC[C@@H]1CCCC[C@H]1NC(=O)NCCc1ccc(N)cc1	841952006	YVPNTYYMPQFUNG-DZGCQCFKSA-N	290.411	1.628	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NC/C=C\CO)cc1	853244079	CZEFSCPJLQNKGV-ARJAWSKDSA-N	263.341	1.100	10	20	CDCD	
COc1cccc(CNC(=O)c2cc(CO)c(C)o2)c1O	866762807	CTWRMSKEQHIGGR-UHFFFAOYSA-N	291.303	1.725	10	20	CDCD	
Cc1ccc(C(=O)OC[C@H]2CCO[C@@H]2C)c(O)c1O	869375571	ZNQGSBDQWCGECQ-NXEZZACHSA-N	266.293	1.988	10	20	CDCD	
COC(=O)[C@@H](CC(F)F)NC(=O)c1cc(O)cs1	762358779	SJHRPZQCYSDBGH-ZCFIWIBFSA-N	279.264	1.380	10	20	CDCD	
CCOc1ccc(CN2CCC(O)(COC)CC2)c(O)c1	769452354	XFCNYJGKSJCMBM-UHFFFAOYSA-N	295.379	1.764	10	20	CDCD	
CCOc1ccc(CN(C)CC(C)(C)O)c(O)c1	769425067	KTHBTOYRGMUGIH-UHFFFAOYSA-N	253.342	1.994	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NOCC(F)F	760140120	AWKFFEIYHYRLSY-DUXPYHPUSA-N	259.208	1.424	10	20	CDCD	
COCCO[C@@H]1COCC[C@H]1N[C@@H](C)c1ccccc1O	776868585	IQXHETLBPIKTFF-JGGQBBKZSA-N	295.379	1.863	10	20	CDCD	
CO[C@@H](C(=O)N[C@H](C)Cc1ccc(O)c(O)c1)C(C)C	773761242	HGKONRBXIXDUIY-QMTHXVAHSA-N	281.352	1.816	10	20	CDCD	
CN(CC(=O)N(C)C)Cc1cc(Cl)cc(F)c1O	775647511	WQPNLFXSWCAIMQ-UHFFFAOYSA-N	274.723	1.705	10	20	CDCD	
CN1CCC[C@@H](N2CCOc3cc(N(C)C)ccc32)C1=O	778953561	OHFKCLPPPGUYSN-CQSZACIVSA-N	289.379	1.572	10	20	CDCD	
C[C@H](OC(=O)c1cccc(O)c1O)C(=O)NC(C)(C)C	776281500	FRSVTWDDIOLLOH-QMMMGPOBSA-N	281.308	1.558	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2ccn(C(F)F)n2)c1	775780158	NBSPMOWOYMRJAR-UHFFFAOYSA-N	297.261	1.922	10	20	CDCD	
C[C@H](NCCN1CCNC1=O)c1c(O)cccc1F	886747209	NZCRCYVQRPBBCD-VIFPVBQESA-N	267.304	1.207	10	20	CDCD	
COC(=O)Cc1cn(Cc2ccc(N(C)C)c(C)c2)nn1	881377843	VEDRUJCNGPRFCJ-UHFFFAOYSA-N	288.351	1.416	10	20	CDCD	
COc1cccc(O)c1CN1CC[C@H]([C@@H](C)O)C1	780787245	TWOHPQDKDGQOPD-MNOVXSKESA-N	251.326	1.604	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@H](N)CC2CC2)c1	884309989	LMSSOIXJSWMNHM-TVQRCGJNSA-N	278.352	1.705	10	20	CDCD	
CO[C@H](C)CN(C)C(=O)NCc1ccc(N)cc1	1120592043	PTTKHVGKWIDBKR-SNVBAGLBSA-N	251.330	1.445	10	20	CDCD	
COCCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	891253419	SJNJJIPJLBEXGB-HNNXBMFYSA-N	293.411	1.508	10	20	CDCD	
NC[C@H]1CC[C@H](NC(=O)NCCc2ccc(N)cc2)CC1	892039176	RIDCDKVLHKBOKS-CTYIDZIISA-N	290.411	1.628	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CO[C@H](C)C1	784462402	GOQYFPOSYBUVAT-FOGDFJRCSA-N	279.336	1.570	10	20	CDCD	
COc1cc(C)cc(CNCCOCCF)c1O	895359093	NWWAAUOIVPQJRM-UHFFFAOYSA-N	257.305	1.785	10	20	CDCD	
COc1ccc(CN[C@@H]2CCN(C(=O)C(F)F)C2)cc1C	965991789	RMCDDDCCHJVBPX-GFCCVEGCSA-N	298.333	1.959	10	20	CDCD	
COc1ccc(CNS(=O)(=O)c2ccccc2)c(O)c1	795362890	STVHGKGSRMRJQW-UHFFFAOYSA-N	293.344	1.879	10	20	CDCD	
O=C(NCc1ccccc1O)c1ccc2nonc2c1	1149427026	IRSTZWBAKOGUID-UHFFFAOYSA-N	269.260	1.858	10	20	CDCD	
Cc1nnc(CNC(=O)N(C)Cc2ccccc2O)o1	1248708844	RDKBSEBMMDBJBI-UHFFFAOYSA-N	276.296	1.425	10	20	CDCD	
CC[C@@H](O)CNC(=O)NCc1ccc2c(c1)CCCN2C	1347238451	PVQRUXYFDVQABH-CQSZACIVSA-N	291.395	1.639	10	20	CDCD	
O=C(O)CC1(CNC(=O)c2cccc(O)c2O)CCCC1	1601919065	BAYVVLOAIGFXTJ-UHFFFAOYSA-N	293.319	1.863	10	20	CDCD	
C[C@H](NCCOCCF)c1cc(C(=O)O)ccc1O	1604341595	QUKPMNYOBGGDHV-VIFPVBQESA-N	271.288	1.727	10	20	CDCD	
O=C(O)[C@H]1C[C@@H](O)CN1Cc1ccc(Cl)cc1O	1601773378	SAHQDBSOGZYZLG-NXEZZACHSA-N	271.700	1.065	10	20	CDCD	
C/C(=C/C(=O)N(CC(=O)O)c1ccccc1)c1cnccn1	1573386092	ODDWPVTWIYRFNR-XFXZXTDPSA-N	297.314	1.998	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC[C@@]2(O)CCCNC2)c1	1574034098	WOIHCADFVKUBIW-XHDPSFHLSA-N	280.368	1.166	10	20	CDCD	
CN(CC(=O)N1CCOCC1)Cc1c(O)cccc1Cl	162348440	WVQMMIWDSOUXOJ-UHFFFAOYSA-N	298.770	1.336	10	20	CDCD	
COC(=O)[C@H]1C[C@@H](C(=O)N(C)Cc2ccccc2O)C1	1262613894	SWBMYOKRSNAMFH-TXEJJXNPSA-N	277.320	1.550	10	20	CDCD	
COc1ccc(N(C)CCOCCN)cc1Cl	843359411	TYKZUOFMYYRZNC-UHFFFAOYSA-N	258.749	1.760	10	20	CDCD	
C[C@@H](NCc1nncn1C)c1ccc(N(C)C)cc1	38007850	YVUBLWVBCKSBEF-LLVKDONJSA-N	259.357	1.732	10	20	CDCD	
COc1ccc(O)c([C@H](C)NCCn2cccn2)c1	49074698	DSGJBHFLDVIZGB-NSHDSACASA-N	261.325	1.948	10	20	CDCD	
CCOC(=O)[C@H](C)NCc1cccc(CC)c1O	709430492	JGSQEKSBHIIHJF-JTQLQIEISA-N	251.326	1.996	10	20	CDCD	
COCCN(C)CCN[C@@H]1CCc2cccc(O)c21	389309772	QWZDXYIJGRJEKQ-CYBMUJFWSA-N	264.369	1.547	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CCC(=O)NC1	115281015	SGACCSDMASQGTN-CYBMUJFWSA-N	289.379	1.203	10	20	CDCD	
CC[C@@H]1C(=O)NCCN1Cc1cccc(Cl)c1O	180037312	KTPBATJDIMNBBP-LLVKDONJSA-N	268.744	1.756	10	20	CDCD	
Cc1ccc(C(=O)N2CCOC3(CCC3)C2)c(O)c1O	182960103	OSLRPIWMPMGESP-UHFFFAOYSA-N	277.320	1.801	10	20	CDCD	
C[C@H](NC[C@]1(O)CCO[C@@H]1C)c1ccccc1O	228062530	SIVNUPWJHPUDTH-MISXGVKJSA-N	251.326	1.583	10	20	CDCD	
C[C@H](NC(=O)c1ccc(CN=[N+]=[N-])s1)C(N)=O	1537962883	HXCWMYKNPUDHSK-YFKPBYRVSA-N	253.287	1.162	10	20	CDCD	
COc1ccc(N2CCN(c3cnccn3)CC2)cc1F	133638090	VKPZXROKWPSAMG-UHFFFAOYSA-N	288.326	1.951	10	20	CDCD	
OC[C@@H]1[C@H]2CN(Cc3c(O)cccc3Cl)C[C@H]21	368635275	FLZFPGHJIUWMOI-JZYVYDRUSA-N	253.729	1.716	10	20	CDCD	
Cc1ccc(C(=O)N(C)Cc2nccn2C)c(O)c1O	271272328	MEAQLBRLUDGQLB-UHFFFAOYSA-N	275.308	1.412	10	20	CDCD	
O=C(Nc1nnc2n1CCCC2)c1c(F)ccc(O)c1O	278857292	UTFFQOZKDUMKOX-UHFFFAOYSA-N	292.270	1.417	10	20	CDCD	
CN(Cc1ccccc1O)C[C@H]1CCCS(=O)(=O)C1	284104553	MRFSBQYDQCMQJG-GFCCVEGCSA-N	283.393	1.649	10	20	CDCD	
Cn1nncc1C(=O)NCc1ccc(N2CCCC2)cc1	281273724	PIZGQMCMVRZUJN-UHFFFAOYSA-N	285.351	1.345	10	20	CDCD	
C[C@@H](NCCN(C)C)c1cc([N+](=O)[O-])ccc1O	287179110	VDSCLKQULCZAMZ-SECBINFHSA-N	253.302	1.513	10	20	CDCD	
C[C@@H](O)CNc1cc(N(C)Cc2ccccc2O)ncn1	298523613	BYCHSLHPEWENRR-LLVKDONJSA-N	288.351	1.611	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)c1ncoc1C1CC1	293589533	DBMBXPWODFJCSI-UHFFFAOYSA-N	288.303	1.936	10	20	CDCD	
COc1ccc(O)c(CN[C@H]2CCCN(CCCO)C2)c1	295164766	SOSKVBQYLWJAHP-AWEZNQCLSA-N	294.395	1.337	10	20	CDCD	
C[C@@H]1CN(C(=O)c2c(F)ccc(O)c2O)CCCO1	295389742	YINKAKRQNPZTQH-MRVPVSSYSA-N	269.272	1.488	10	20	CDCD	
Cc1ccc(C(=O)N2CC[C@@H](n3cccn3)C2)c(O)c1O	298271719	NUZOZMLWMKBAAB-LLVKDONJSA-N	287.319	1.690	10	20	CDCD	
CCc1cc(C(=O)NCc2cccc(OC)c2O)n(C)n1	821065809	RNNKBLSGESNUQL-UHFFFAOYSA-N	289.335	1.627	10	20	CDCD	
COc1ccc(N(C)CCn2cncn2)cc1OC	727125402	RTPDATFHBDAPKV-UHFFFAOYSA-N	262.313	1.432	10	20	CDCD	
CCOc1ccc(N(C)C[C@@H](O)COCCOC)cc1	827873059	MLVJTRRUXJUDAH-CQSZACIVSA-N	283.368	1.545	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)CC1(CN)CC1	829764582	PQTIQKRCVUSJRF-UHFFFAOYSA-N	275.396	1.806	10	20	CDCD	
COc1cc(O)c(CN[C@H](C(=O)O)C(C)C)cc1OC	820775457	WNGLBCNZEYVRMS-ZDUSSCGKSA-N	283.324	1.608	10	20	CDCD	
C[C@H](NC(=O)[C@H](C(=O)O)C1CC1)c1ccccc1O	902516880	MTTSPEZQKAOLBY-QPUJVOFHSA-N	263.293	1.680	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CC[C@H](F)C1	830467236	JKESOBRDTGYOLP-AWEZNQCLSA-N	293.386	1.755	10	20	CDCD	
CNC(=O)C1CN(Cc2cc(Cl)ccc2O)C1	839142895	JUHPECHBCMGPDN-UHFFFAOYSA-N	254.717	1.223	10	20	CDCD	
CN(C)c1ccc(CN[C@@]2(CC(=O)O)CCOC2)cc1F	901835619	MQAYWJDQNKHPSB-OAHLLOKOSA-N	296.342	1.615	10	20	CDCD	
C[C@H]1C[C@@H](N[C@@H]2COC[C@H]2O)c2c(O)ccc(F)c21	834897960	XSULCXBUFYLBEX-CKIYVRPFSA-N	267.300	1.429	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)[C@H]1CCc2cccnc21	910946183	KCJNMFHXSAVVRB-ZDUSSCGKSA-N	284.315	1.839	10	20	CDCD	
CCN1C[C@@H](CN[C@H](C)c2cccc(OC)c2O)CC1=O	846208334	IGPFCDDAPBODAV-VXGBXAGGSA-N	292.379	1.920	10	20	CDCD	
F[C@@H]1CN[C@H](CNCc2ccc3c(c2)CCO3)C1	841077857	DQINRUVVVQQURT-STQMWFEESA-N	250.317	1.411	10	20	CDCD	
CC(C)C(C)(C)NC(=O)C(=O)Nc1ccc(N)cc1	846323858	ZIJCYBUHGUIFFQ-UHFFFAOYSA-N	263.341	1.758	10	20	CDCD	
CCN1CCN(Cc2cc3c(cc2O)OCO3)C[C@@H]1C	211419353	KKXJYSCIMMCLSZ-NSHDSACASA-N	278.352	1.647	10	20	CDCD	
C[C@H]1COC[C@H]1NCc1cc([N+](=O)[O-])ccc1O	922642987	KFVKISNAIOBTDL-GZMMTYOYSA-N	252.270	1.425	10	20	CDCD	
COc1cccc(CN2CC[C@H](C)[C@@H](CO)C2)c1O	857061088	JMZVIMAIWYSTDM-WCQYABFASA-N	265.353	1.851	10	20	CDCD	
C[C@@H]1COCCCN1Cc1cc2c(cc1O)OC[C@@H]2O	768462449	LMTKLDPXELFCSG-YGRLFVJLSA-N	279.336	1.429	10	20	CDCD	
CCC[C@H]1CN(Cc2cc3c(cc2O)OC[C@H]3O)CCO1	768465658	OPNIUDIDXUCFMJ-SWLSCSKDSA-N	293.363	1.819	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CCCC[C@@H]1CO	1116510118	NJZXIDAYFFMDMX-HOSRBBHYSA-N	277.320	1.484	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCOC[C@@H]1C1CC1	760998110	PAYLVLQOPTVAAH-SNVBAGLBSA-N	253.323	1.705	10	20	CDCD	
CO[C@@H]1CCN(Cc2ccc(N3CCC(O)CC3)cc2)C1	876750729	RWKGITBKVBUVLN-QGZVFWFLSA-N	290.407	1.868	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)N[C@H]1C[C@@H](C(=O)O)C1	874413168	SLIRIUARMIGFSL-PHIMTYICSA-N	278.308	1.397	10	20	CDCD	
COC[C@@H](C)OC[C@H](O)CN[C@H](C)c1ccccc1O	879649527	VOWBOJSYVOWSCJ-JHJVBQTASA-N	283.368	1.455	10	20	CDCD	
C[C@@H](NS(=O)(=O)N(C)C)c1ccc(N(C)C)cc1	773088258	NXTAYWLQEPXMOC-SNVBAGLBSA-N	271.386	1.210	10	20	CDCD	
CC(=O)c1cc(F)cc(Cn2cc([C@@H](C)N)nn2)c1O	880995957	JUOSHAGHFZVSAR-SSDOTTSWSA-N	278.287	1.393	10	20	CDCD	
CO[C@@]1(C(=O)Nc2ccc(N)cc2)CCSC1	884008766	BAFAHXKNWFAKPI-LBPRGKRZSA-N	252.339	1.729	10	20	CDCD	
CN(C)c1ccc(CN2C[C@@H]3C[C@]3(CO)C2)cc1F	783735997	UWLHGVOXTSRIAR-SWLSCSKDSA-N	264.344	1.706	10	20	CDCD	
COc1ccc(CN(C)[C@@H](C)CCO)c(O)c1OC	895186784	XOBYTALUJDWCTI-JTQLQIEISA-N	269.341	1.612	10	20	CDCD	
Cc1ccc(O)c([C@@H](C)NCCN2CCNC2=O)c1	886745269	SJDCAIFCXHEINN-LLVKDONJSA-N	263.341	1.376	10	20	CDCD	
COc1ccc(CNC(=O)c2ccc3nc[nH]c3n2)c(O)c1	794374662	XMQBLQFBSCBWID-UHFFFAOYSA-N	298.302	1.602	10	20	CDCD	
CCC(=O)NCCC1=CCN(c2cnc(F)cn2)CC1	1089794806	OCVUCRGPTCRKON-UHFFFAOYSA-N	278.331	1.669	10	20	CDCD	
CCc1cccc(CN[C@@]2(CO)CCOC2)c1O	691434991	MTYXJMUUKKDMFY-CQSZACIVSA-N	251.326	1.196	10	20	CDCD	
COc1ccc(CNC(=O)CNCC(C)C)c(O)c1	1326626175	HMOLPHFFICTJAI-UHFFFAOYSA-N	266.341	1.263	10	20	CDCD	
C[C@H]1CSC[C@H]1NC(=O)NCc1ccc(N)cc1	1335524353	CDNJCHIWRGAOSV-JOYOIKCWSA-N	265.382	1.820	10	20	CDCD	
Nc1ccc(CCNC(=O)CC[C@H]2CCCO2)cc1	87206640	GNVWYWDVZNUPNI-CQSZACIVSA-N	262.353	1.887	10	20	CDCD	
CN(C)Cc1cc(C(=O)NCc2ccc(O)cc2O)no1	1339583349	DRBQNISQZFJSEG-UHFFFAOYSA-N	291.307	1.077	10	20	CDCD	
CC(C)C(=O)NCCN[C@@H](C)c1cc(F)ccc1O	94616855	FXBJJWKVROINSO-JTQLQIEISA-N	268.332	1.954	10	20	CDCD	
CCc1nc(C)c(C(=O)NCc2cccc(O)c2O)o1	1521851641	ONHVQFDMLBMZFS-UHFFFAOYSA-N	276.292	1.887	10	20	CDCD	
C[C@@H](C(=O)NCc1cccc(O)c1O)N1CCCCCC1	1528771820	ZWEIYIRYIHKSKA-LBPRGKRZSA-N	292.379	1.979	10	20	CDCD	
C[C@@H]1[C@@H](C(=O)O)CCN1Cc1cc2c(cc1O)OC[C@H]2O	1604638142	VAFRBKPOMFBJON-DFAYQTQMSA-N	293.319	1.113	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2cc(C)ncn2)c1	153874830	ZCAXWAQEWYXMQT-SNVBAGLBSA-N	287.319	1.990	10	20	CDCD	
CCN(CCNC(=O)Cc1ccc(N)cc1)C1CC1	226397385	RUQNAWPEQXMIRH-UHFFFAOYSA-N	261.369	1.412	10	20	CDCD	
C[C@H](CNC(=O)Cc1ccc(N)cc1)C[C@@H](C)O	160567686	JPJOSUIZQIJYTB-WDEREUQCSA-N	250.342	1.335	10	20	CDCD	
COc1cccc(CN2C[C@@H](C)S(=O)(=O)[C@H](C)C2)c1O	291026599	YCQOEBOLOLFYEL-GHMZBOCLSA-N	299.392	1.408	10	20	CDCD	
Nc1ccc(NC(=O)N2CCC[C@@H](CO)CC2)cc1	393471975	KPNVSHCRHHNTLX-LLVKDONJSA-N	263.341	1.895	10	20	CDCD	
COc1cccc(CNC[C@@H](CO)C(C)C)c1O	394026969	FVIQVFGSLLBMNY-LBPRGKRZSA-N	253.342	1.755	10	20	CDCD	
O=C1CC[C@@H](CNCc2cccc(Br)c2O)N1	79927002	YFLGJONZROSLCU-VIFPVBQESA-N	299.168	1.523	10	20	CDCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)NCCC2CC2)c1	174568472	KRUMCIQVYBMPEP-UHFFFAOYSA-N	298.364	1.294	10	20	CDCD	
C[C@@H](Nc1ccc2nnnn2n1)c1ccc(N(C)C)cc1	302470425	WMMSNBKLTOHPEU-SNVBAGLBSA-N	283.339	1.758	10	20	CDCD	
Cc1nc(C(=O)NCc2ccc(N3CCCC3)cc2)no1	179923008	GGFQKONLKCMALP-UHFFFAOYSA-N	286.335	1.908	10	20	CDCD	
CCC(=O)N1CCCN(C(=O)Cc2ccc(N)cc2)CC1	38101596	HJNBOZDZCCZWMB-UHFFFAOYSA-N	289.379	1.282	10	20	CDCD	
CNC(=O)[C@@H](C)CN(C)Cc1cc(OC)c(OC)cc1O	180681574	GGIJNZSLPLNXPL-JTQLQIEISA-N	296.367	1.223	10	20	CDCD	
CN(C)c1ccc(CNC(=O)Cc2cncn2C)cc1	186792137	SDIGNPRFBAQXJY-UHFFFAOYSA-N	272.352	1.345	10	20	CDCD	
Cc1ccc(O)c([C@@H](C)NCCNC(=O)c2ccn[nH]2)c1	186510981	NCJAQSSMIATUNA-LLVKDONJSA-N	288.351	1.504	10	20	CDCD	
Nc1ccc(CC(=O)N2CC[C@H]3NCC[C@H]3C2)cc1	366459147	FLJDIMVVCCKPLU-GXTWGEPZSA-N	259.353	1.022	10	20	CDCD	
CN(CCn1ccc([N+](=O)[O-])n1)c1ccc2c(c1)OCO2	121405604	VJEOPTDLSHBMNV-UHFFFAOYSA-N	290.279	1.656	10	20	CDCD	
Cc1ccc(C(=O)NC[C@H]2CCC[C@@H](O)C2)c(O)c1O	182496901	UYTXDCGQYAZLAD-WDEREUQCSA-N	279.336	1.687	10	20	CDCD	
COc1ccc(O)c(CNC[C@@H]2CN3CCC[C@@H]3CO2)c1	91662441	CAPDFOSQWUAFLH-UKRRQHHQSA-N	292.379	1.354	10	20	CDCD	
CCCOC(=O)CCNC(=O)c1ccc(C)c(O)c1O	272863761	VEYLILCEOYBFET-UHFFFAOYSA-N	281.308	1.479	10	20	CDCD	
Cc1ccc(C(=O)N2CC[S@](=O)[C@H](C)[C@H]2C)c(O)c1O	272801507	YONKCDMEGCZAPM-ZLMDCXFVSA-N	297.376	1.388	10	20	CDCD	
COc1cccc(CN2CC(=O)N(CC3CC3)C2)c1O	279352257	GFWHHNVGUUBRIF-UHFFFAOYSA-N	276.336	1.413	10	20	CDCD	
CCc1ccc(OCC(=O)C(C)=O)c([N+](=O)[O-])c1	289530502	DUWHBJVLSPTEEA-UHFFFAOYSA-N	251.238	1.694	10	20	CDCD	
COc1cccc(CNC(=O)Cc2cccnc2C)c1O	286648854	CDJZKMPWAOCEKZ-UHFFFAOYSA-N	286.331	1.963	10	20	CDCD	
CC[C@@H](NCCS(C)(=O)=O)c1ccc(F)cc1O	285910518	DFLJRLYWKXEAMP-LLVKDONJSA-N	275.345	1.617	10	20	CDCD	
CCOCCOC1CN(Cc2cc3c(cc2O)OCO3)C1	297637162	MMMCRUPUWPGECW-UHFFFAOYSA-N	295.335	1.358	10	20	CDCD	
Cc1cc(CN(C[C@@H](C)O)[C@@H](C)CO)ccc1N(C)C	294417015	DGJQNRKAFOSQGF-UONOGXRCSA-N	280.412	1.625	10	20	CDCD	
Cc1nccn1CCNC(=O)N(C)Cc1ccccc1O	299629735	LARZOCVDTJRBKQ-UHFFFAOYSA-N	288.351	1.739	10	20	CDCD	
C[C@@H]1C[C@H](CNC(=O)c2c(F)ccc(O)c2O)CCO1	297616451	WCZVKAFFAVWKFR-RKDXNWHRSA-N	283.299	1.782	10	20	CDCD	
CC(C)(CCNC(=O)NCc1ccccc1O)C(=O)O	818623605	IPVDLSHFDJJWGX-UHFFFAOYSA-N	280.324	1.692	10	20	CDCD	
NC(=O)C[C@H]1CCN(Cc2cc(Cl)c(F)cc2O)C1	816613256	OCUGCIZCVWGZDH-MRVPVSSYSA-N	286.734	1.882	10	20	CDCD	
COC[C@@]1(CN[C@H](C)c2cc(OC)ccc2O)CCCN1	817974195	JDRCWKBLFUYMTL-WBMJQRKESA-N	294.395	1.820	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@H]1CCc2nncn2C1	815796585	CDJOVBXTKOYSAZ-LBPRGKRZSA-N	286.335	1.205	10	20	CDCD	
COc1ccc(N(Cc2nnnn2C)C(C)C)cc1F	725816306	PEZUEURHZMNVIG-UHFFFAOYSA-N	279.319	1.773	10	20	CDCD	
CC1=NO[C@H](C(=O)NCc2ccc(N(C)C)cc2C)C1	827963213	ZYGFLUSWUAQQIQ-AWEZNQCLSA-N	275.352	1.842	10	20	CDCD	
CCOC(=O)CN(Cc1ccon1)Cc1ccccc1O	823576467	OZINCAMYJBDVCJ-UHFFFAOYSA-N	290.319	1.946	10	20	CDCD	
O=C(O)[C@@]1(NCc2cc(F)cc(F)c2O)CCSC1	904008017	ZXZOWJGGFHMDIF-GFCCVEGCSA-N	289.303	1.720	10	20	CDCD	
O=C(N[C@@H]1CCN(CC(F)(F)F)C1)c1cc(O)cs1	732280682	PDJYFMKODFXOCW-SSDOTTSWSA-N	294.298	1.820	10	20	CDCD	
COc1ccc(N2CCC(NCC[N+](=O)[O-])CC2)cc1	905080012	ARBMAFHMSPKYTH-UHFFFAOYSA-N	279.340	1.530	10	20	CDCD	
O=C1[C@@H](NCc2ccccc2O)C[C@@H]2CCCCN12	835075700	ZOUIASPWPMMKFI-STQMWFEESA-N	260.337	1.635	10	20	CDCD	
CC(C)COC(=O)CN(C)c1ccc(OCC(=O)O)cc1	833489060	LLSQJEHPLHCXIL-UHFFFAOYSA-N	295.335	1.785	10	20	CDCD	
O=C(c1cc(O)cs1)N1CC[C@@](F)(C(=O)O)C1	833354567	WOTSMKUBCOWLLL-JTQLQIEISA-N	259.258	1.093	10	20	CDCD	
CO[C@H](CC(=O)NCCc1ccc(N)cc1)C(F)(F)F	846665724	NZKSJBXAMLFWHA-LLVKDONJSA-N	290.285	1.895	10	20	CDCD	
CC[C@H](Cc1cn(-c2ccc(N)cc2)nn1)C(=O)OC	849134833	RNTQLPPDJOBPSG-SNVBAGLBSA-N	274.324	1.591	10	20	CDCD	
C[C@H](NC(=O)[C@H]1NC(=O)O[C@H]1C)c1ccc(N(C)C)cc1	841423049	KPQYHCGOPWPXTJ-KWBADKCTSA-N	291.351	1.427	10	20	CDCD	
O=C(COC[C@H]1CCCO1)NCc1ccccc1O	748347261	XQENIYRBFKUCSA-GFCCVEGCSA-N	265.309	1.204	10	20	CDCD	
C[C@H](N)[C@@H]1CN(Cc2cccc(Cl)c2O)CCO1	843058301	RGCFOIRCBQDPAT-CABZTGNLSA-N	270.760	1.594	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)NCC(C)(C)CO)c1	756756722	AFUQLVGXMMASEQ-JTQLQIEISA-N	281.352	1.848	10	20	CDCD	
CCN(C)C(=O)[C@H](C)NC(=O)NCc1cc(C)ccc1O	858385944	AEPKDHIAXUVMAD-NSHDSACASA-N	293.367	1.367	10	20	CDCD	
CC[C@H](C)N(CC)C(=O)C(=O)Nc1ccc(N)cc1	850827155	QDSWZENNYMRLNF-JTQLQIEISA-N	263.341	1.854	10	20	CDCD	
OCC[C@]1(NCc2ccc3c(c2)CCCO3)CCOC1	922067390	CSKZXIMTWPGIDO-INIZCTEOSA-N	277.364	1.643	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2COC[C@@H]2C)c1	926002976	FDSVMUXAKVWHBS-OUJBWJOFSA-N	294.351	1.796	10	20	CDCD	
COC(=O)CCCOC(=O)/C=C/c1ccc(O)c(O)c1	759594395	NFTWVTTZFVPJMT-FNORWQNLSA-N	280.276	1.607	10	20	CDCD	
Cc1cc(C(=O)NCCc2ccc(O)c(O)c2)ns1	768083580	XRSFOZOIUPRZOS-UHFFFAOYSA-N	278.333	1.835	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)COC2CCOCC2)c1	862759848	JEJORXBQBKGRCZ-UHFFFAOYSA-N	279.336	1.512	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)C(=O)N2CCC(C)CC2)c1	862757356	QQZKDQRWADJJHZ-UHFFFAOYSA-N	290.363	1.575	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@H](C)N2CCSCC2)c1	862757975	KTAGXEAPBUJBDG-LBPRGKRZSA-N	294.420	1.754	10	20	CDCD	
CCN(CCN)Cc1ccc(N2CCN(C)CC2)cc1	863644438	WIAGFOIWYVMPCY-UHFFFAOYSA-N	276.428	1.219	10	20	CDCD	
OC[C@@H]1CN(Cc2c(O)ccc(Cl)c2F)C[C@@H]1CO	877764853	NGFMGXKPUNBGOC-DTORHVGOSA-N	289.734	1.217	10	20	CDCD	
Cc1ccc(CN2CCN(c3nccn3C)CC2)c(O)c1	877642546	ZZIBGNXGTPMPEX-UHFFFAOYSA-N	286.379	1.756	10	20	CDCD	
O=C(O)[C@@H]1CCCN(Cc2cccc(F)c2O)C1	874050168	OCGHBTPTQKGNRE-SNVBAGLBSA-N	253.273	1.828	10	20	CDCD	
C[C@@H](NC(=O)NCC[S@@](C)=O)c1ccc(N(C)C)cc1	773300052	XUYGPLFIXPYNKE-BIBXISHDSA-N	297.424	1.491	10	20	CDCD	
CCOC[C@@H]1CN(C(=O)NCc2ccc(N)cc2)CCO1	1120584325	DEFGZOATQGWKNU-AWEZNQCLSA-N	293.367	1.216	10	20	CDCD	
CCN1CC(=O)N[C@@H]1c1cc(Cl)cc(F)c1O	788689707	ITHRWTZBICQFOF-NSHDSACASA-N	258.680	1.635	10	20	CDCD	
COc1ccc(CNC[C@@H]2CCN2C)c(O)c1OC	896593876	PXSFAAYAPYOKRO-NSHDSACASA-N	266.341	1.203	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)N[C@H]2C[C@H](C)OC2=O)c1	896370757	JSGRRMAQMPLQDB-ONGXEEELSA-N	278.308	1.204	10	20	CDCD	
CC[C@@H](CCO)CNCc1ccc(OC)c(OC)c1O	893159250	JKJZSZWOWVDKCC-NSHDSACASA-N	283.368	1.908	10	20	CDCD	
CCOc1ccc(O)c(CN[C@H]2C(=O)NCC2(C)C)c1	895317055	LXZNWLFTWAJUJD-ZDUSSCGKSA-N	278.352	1.405	10	20	CDCD	
CN(Cc1cccc(O)n1)Cc1cc2c(cc1O)OCO2	897391970	HWPBRQYDSJKOIO-UHFFFAOYSA-N	288.303	1.854	10	20	CDCD	
COc1ccc(CNCc2cnc(N(C)C)nc2)c(O)c1	793386496	UBDWXSHYHWBQQI-UHFFFAOYSA-N	288.351	1.547	10	20	CDCD	
C[C@H]1CN(C(=O)c2cc(O)cs2)C[C@@]2(CCCOC2)O1	796498684	PHFNVJKMHOWQGP-IINYFYTJSA-N	297.376	1.864	10	20	CDCD	
COc1ccc(CNCc2nnc3n2CCOC3)cc1C	791008446	VQIYTWFRSCSMPB-UHFFFAOYSA-N	288.351	1.415	10	20	CDCD	
CCOC[C@@H]1CCCN(C(=O)c2cccc(O)c2O)C1	185655366	NQAYIRQIEBKHTN-LLVKDONJSA-N	279.336	1.987	10	20	CDCD	
CCN1CCC[C@H](NCc2ccc(N(C)C)cc2)C1=O	722360884	CJLMQWOKVYNVMX-HNNXBMFYSA-N	275.396	1.853	10	20	CDCD	
Nc1nc(NCc2ccccc2O)ncc1[N+](=O)[O-]	728050894	BVXPTOBJODNKMW-UHFFFAOYSA-N	261.241	1.285	10	20	CDCD	
C[C@]1(C(=O)NCCc2ccc(O)c(O)c2)CCOC1	755535361	ZNMYNRKEQJARRK-AWEZNQCLSA-N	265.309	1.183	10	20	CDCD	
CCn1nc(C)c(CNC(=O)NCc2ccc(N)cc2)n1	1335605104	XAXCNFRGELCNMP-UHFFFAOYSA-N	288.355	1.188	10	20	CDCD	
CN(C)c1ccc(CNc2cccnc2-c2nn[nH]n2)cc1	1604703655	AFPNDSWROFYZBL-UHFFFAOYSA-N	295.350	1.940	10	20	CDCD	
COC[C@]1(C(=O)O)CCCN1Cc1cccc(C)c1O	1599192761	KNGYSKVUTKYOPC-HNNXBMFYSA-N	279.336	1.766	10	20	CDCD	
C[C@@H](N[C@@H]1CCC[C@H]1O)c1cc(C(=O)O)ccc1O	1593354414	PJGLGWSBAYJMGP-XTWCZFFVSA-N	265.309	1.654	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@@H]2CCCCO2)c1	158353087	ARIUPEZCERORAK-ZDUSSCGKSA-N	265.309	1.586	10	20	CDCD	
CC[C@H](C(=O)N[C@H](C)c1cc(OC)ccc1O)N(C)C	151545593	VVPBQCRJXXCFNT-ZWNOBZJWSA-N	280.368	1.918	10	20	CDCD	
COc1cccc(CNC(=O)c2ccc(C=O)[nH]2)c1O	155551739	JMUMCANXGOYPLN-UHFFFAOYSA-N	274.276	1.471	10	20	CDCD	
CS[C@@H](CO)[C@@H](C)NCc1cc2c(cc1O)OCO2	219065786	QBGWZUNKOCMBLQ-OQPBUACISA-N	285.365	1.323	10	20	CDCD	
COc1cccc(CN[C@H](C)CN2CCOCC2)c1O	36933134	ASXXWKFPXPCHDV-GFCCVEGCSA-N	280.368	1.211	10	20	CDCD	
CCOc1cccc(CN2CCC[C@H](CN)C2)c1O	44527613	JEIJXHXASAMDBR-GFCCVEGCSA-N	264.369	1.962	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCC[C@@H](O)CC1	294255257	BNGCYIWMAALSDN-SECBINFHSA-N	251.282	1.085	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)c1cccc(N)n1	381068821	UFWFBBPAPPVMMU-UHFFFAOYSA-N	257.293	1.642	10	20	CDCD	
O=C(O)C1=CC[C@H](NC(=O)c2cccc(O)c2O)C1	694986983	RMIYVFAYDTVARU-QMMMGPOBSA-N	263.249	1.001	10	20	CDCD	
Cc1cc(OCC(=O)N[C@H](C)c2ccccc2O)no1	827923102	JKIGSRUHNFSYRD-SNVBAGLBSA-N	276.292	1.945	10	20	CDCD	
COC(=O)[C@H](C)CN(C)Cc1cc(OC)ccc1O	179773974	NHAIIOYAYLIIHD-SNVBAGLBSA-N	267.325	1.642	10	20	CDCD	
CC(C)C(=O)NCCN[C@@H](C)c1ccccc1O	20125222	BQKVJZKVLZHZSV-NSHDSACASA-N	250.342	1.815	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N[C@H]2CCC[C@@H]2O)cc1	172649757	KGRZBLMLSXHSPM-KBPBESRZSA-N	277.368	1.465	10	20	CDCD	
CN(C[C@@H]1CCCOC1)C(=O)NCc1ccc(N)cc1	1353538752	AMCWOURIYAKBPL-ZDUSSCGKSA-N	277.368	1.837	10	20	CDCD	
CCCN(CCN(C)C)C(=O)c1cccc(O)c1O	126368270	BMKYIRRXZNPCLZ-UHFFFAOYSA-N	266.341	1.512	10	20	CDCD	
CN1CCC[C@@H]2CN(C(=O)c3cccc(O)c3O)CC[C@@H]21	126494911	IUVGXEUDAGGSPL-YPMHNXCESA-N	290.363	1.654	10	20	CDCD	
COc1cc(Cl)cc(CN2CC[C@@H](CO)C2)c1O	184686174	AJCNKEHFFQXLAJ-SECBINFHSA-N	271.744	1.868	10	20	CDCD	
COC(=O)CN1CCN(c2ccc(OC)c(F)c2)CC1	122014881	JROOHLDGAIJGCJ-UHFFFAOYSA-N	282.315	1.129	10	20	CDCD	
CCOCCC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	183478662	QVBCMOQGTSJLKP-JTQLQIEISA-N	267.325	1.572	10	20	CDCD	
COc1ccc(O)c(CN(C)CC2CC(O)C2)c1	191161547	IUUGZJUCUFCKEK-UHFFFAOYSA-N	251.326	1.604	10	20	CDCD	
CCCCN(CCOC)C(=O)c1cccc(O)c1O	193061628	ZKYNRYRKNSGEFD-UHFFFAOYSA-N	267.325	1.987	10	20	CDCD	
CC(C)OCC(=O)NCc1ccc(N2CCOCC2)cc1	144846198	NWNCEAQAUJTBAF-UHFFFAOYSA-N	292.379	1.564	10	20	CDCD	
COCCN1CCN(Cc2cccc(Cl)c2O)CC1	179641521	ANHYDPQHMVLCPQ-UHFFFAOYSA-N	284.787	1.810	10	20	CDCD	
COc1cccc(CN2C[C@@](C)(CO)[C@@](C)(CO)C2)c1O	529669257	TXNHKGUZVKTTQH-IYBDPMFKSA-N	295.379	1.214	10	20	CDCD	
CNC(=O)C(C)(C)CN[C@@H]1CCc2cccc(O)c21	296703853	HVTDIIQRMYDCMU-LLVKDONJSA-N	262.353	1.741	10	20	CDCD	
COCCn1cc(/C=C2/SC(=S)NC2=O)cn1	266255400	CLKIUYJQORONQC-XBXARRHUSA-N	269.351	1.018	10	20	CDCD	
CC[S@](=O)CC(=O)NCc1ccc2c(c1)CCCN2C	278918621	RNPFGBKTXLAEHN-FQEVSTJZSA-N	294.420	1.454	10	20	CDCD	
COc1cccc(CN2CC[C@H]3CCN(C)C[C@H]32)c1O	272539167	BWNPYRFSHRAYFB-TZMCWYRMSA-N	276.380	1.927	10	20	CDCD	
COC[C@@H](CN[C@@H](C)c1ccc(F)c(F)c1O)OC	276916052	LQYIRUMNELVJOQ-DTWKUNHWSA-N	275.295	1.982	10	20	CDCD	
CC(=O)N1CCCC[C@@H]1C(=O)NCc1ccccc1O	286835510	VEJDPIBIOIAJSZ-CYBMUJFWSA-N	276.336	1.409	10	20	CDCD	
Nc1ccc(CCNC(=O)CCCn2ccccc2=O)cc1	818545069	DXZCTTMSABYOSM-UHFFFAOYSA-N	299.374	1.570	10	20	CDCD	
Cc1ccc(O)c([C@H](C)NC[C@H]2CNCCCO2)c1	817982656	VDIHBIODSMEJPY-QWHCGFSZSA-N	264.369	1.730	10	20	CDCD	
Cc1cc(CN2CC[C@H](CO)[C@@H](O)C2)ccc1N(C)C	815101182	PQIWKEVBVOMYGM-ZBFHGGJFSA-N	278.396	1.236	10	20	CDCD	
COc1ccc(O)c([C@H](C)N[C@@H]2COCC[C@H]2OC)c1	724880315	OULAKUBDQOCFLN-PSOPSSQASA-N	281.352	1.855	10	20	CDCD	
Oc1ccc(CCNc2ccc(-c3nn[nH]n3)cn2)cc1O	823727073	MSOOYLQWHJJKSN-UHFFFAOYSA-N	298.306	1.328	10	20	CDCD	
CC(C)(N)CCNCc1ccc(N2CCOCC2)cc1	903941247	SXOQWZWQALIICR-UHFFFAOYSA-N	277.412	1.740	10	20	CDCD	
CC[C@@](C)(NC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)O	833639127	ZBRAHPUYJDHJQQ-BRLPQQTGSA-N	279.292	1.481	10	20	CDCD	
C[C@H](NC(=O)N[C@@]1(C)CCNC1)c1ccc(N(C)C)cc1	831073479	UUWVZDINWMIHJV-LRDDRELGSA-N	290.411	1.865	10	20	CDCD	
C[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(N)cc2)C1	841010615	GZOWOOADACNTLW-MFKMUULPSA-N	275.352	1.902	10	20	CDCD	
CCOC(=O)c1ccc(/C=C2\SC(=S)NC2=O)o1	748441131	PVPAHWLJDGCEIB-YVMONPNESA-N	283.330	1.945	10	20	CDCD	
COc1cccc(CNC(=O)NC[C@]2(C)CCOC2)c1O	745818369	NGIRMTUFHQBBJJ-HNNXBMFYSA-N	294.351	1.627	10	20	CDCD	
CCNCC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	843484253	IZASNMRWRZMTIL-AWEZNQCLSA-N	292.379	1.509	10	20	CDCD	
C[C@@H](CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)O	848581616	AYFDUUXIAQHNOM-QWRGUYRKSA-N	293.367	1.834	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)N(C)CCNC)cc1	841719698	OUVBNTFEZUDHLM-UHFFFAOYSA-N	292.427	1.894	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NCC(=O)NC(C)C)c1	858105767	SPURBARWHIOCCG-UHFFFAOYSA-N	279.340	1.024	10	20	CDCD	
Oc1cc2c(cc1CN1CC[C@@H]3C[C@@H]3C1)[C@H](O)CO2	853577706	VENGJGFXRITEJC-GPCCPHFNSA-N	261.321	1.660	10	20	CDCD	
Cc1cccc(CN[C@@H](C)CC[S@@](C)=O)c1O	164756353	QVKRTKZHAAWKGX-GTNSWQLSSA-N	255.383	1.947	10	20	CDCD	
COc1cccc(O)c1CN(C)CCNC(=O)N(C)C	757867456	VFJVGYPIUDYXQU-UHFFFAOYSA-N	281.356	1.104	10	20	CDCD	
CCOC(=O)C[C@H](C)NC(=O)c1cc(O)cs1	761603503	VDHQORXDMNYOGY-ZETCQYMHSA-N	257.311	1.525	10	20	CDCD	
CCOc1ccc(O)c(CN(C)C2CC(O)C2)c1	761222159	IMAUSYIXCKSNEP-UHFFFAOYSA-N	251.326	1.746	10	20	CDCD	
CCOc1ccc(CN2CCC[C@@H](C(=O)NC)C2)c(O)c1	769402932	FAJSSMXBQFGOBT-CYBMUJFWSA-N	292.379	1.749	10	20	CDCD	
Cc1ccc(O)c(CN[C@H](CCO)C2CCOCC2)c1	763465971	DYCPHQOHAJFGKC-OAHLLOKOSA-N	279.380	1.968	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CCNCC2CC2)cc1F	870875426	CAOKTYWDLSAEDW-UHFFFAOYSA-N	293.386	1.898	10	20	CDCD	
Cc1cc(C(=O)Nn2cnnc2O)c(C)n1-c1ccccn1	777768286	DVHCBKHPWVFHOZ-UHFFFAOYSA-N	298.306	1.170	10	20	CDCD	
CC(C)C[C@@H]1CN(C)CCN1C(=O)c1cccc(O)c1O	886598346	YGDLINWAJQQTNO-GFCCVEGCSA-N	292.379	1.900	10	20	CDCD	
C[C@@H](CO)NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1	775673035	FTPJKURKWNDNNZ-QWRGUYRKSA-N	265.357	1.494	10	20	CDCD	
Cc1cc(CNC(=O)NCc2ccc(N)cc2)n(C)n1	1120623202	QTIXCWRSVIUIRT-UHFFFAOYSA-N	273.340	1.310	10	20	CDCD	
CCN1C[C@@H](CNCc2cc(F)cc(F)c2O)CC1=O	883158971	WVTRMLCYPOZXQH-SECBINFHSA-N	284.306	1.628	10	20	CDCD	
C[C@@H](O)C[C@@H](C)NCc1ccc(N2CCOCC2)c(F)c1	782980004	SDEHBVNAMVXWHQ-CHWSQXEVSA-N	296.386	1.911	10	20	CDCD	
COc1ccc(CN2CCC[C@H]2CO)c(O)c1OC	891793801	LGCRLGNOHQRONX-NSHDSACASA-N	267.325	1.366	10	20	CDCD	
COCC[C@H]1COCCN1Cc1cc(F)cc(F)c1O	894818174	OXZPNHDJVRLKKN-LBPRGKRZSA-N	287.306	1.908	10	20	CDCD	
O=[N+]([O-])CCN(Cc1ccccc1O)C[C@H]1CCCO1	791055454	UMAWIMKFSQGTCL-CYBMUJFWSA-N	280.324	1.650	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)CC(C)(C)O)c1	792238045	MQGXBUFNDVCGAC-VIFPVBQESA-N	267.325	1.739	10	20	CDCD	
CC(C)[C@H](C)NC(=O)CN(C)Cc1ccccc1O	109771717	SGTCZEBYZWKYTR-LBPRGKRZSA-N	264.369	1.985	10	20	CDCD	
CC(C)N(CC(N)=O)Cc1cc(F)cc(F)c1O	708386561	VQKOKIBLNXRDLH-UHFFFAOYSA-N	258.268	1.366	10	20	CDCD	
Cc1c([C@@H](C)NC(=O)c2cccc(O)c2O)cnn1C	192981185	CETHTWFGWACHCM-MRVPVSSYSA-N	275.308	1.631	10	20	CDCD	
CN1CCCc2cc(CNC(=O)c3ccnc(N)c3)ccc21	1330616844	XXKGOAWPGBFGPD-UHFFFAOYSA-N	296.374	1.976	10	20	CDCD	
CNC[C@@H](C)CNC(=O)N[C@@H](C)c1cc(OC)ccc1O	1331456268	PNOHPBYFLGPPJJ-MNOVXSKESA-N	295.383	1.617	10	20	CDCD	
Cc1cc(O)c(CN2C[C@@H](O)C[C@@H](C(=O)O)C2)cc1Cl	1607698752	FFNAHQQYLQFSDG-MNOVXSKESA-N	299.754	1.621	10	20	CDCD	
C[C@H](NCCN1CCC1)c1cc(C(=O)O)ccc1O	1609782309	ZKYGZHZXIWFKEP-JTQLQIEISA-N	264.325	1.447	10	20	CDCD	
CN(Cc1cnn[nH]1)Cc1ccc(F)c(F)c1O	1576862218	MODMEKCSPLFOAP-UHFFFAOYSA-N	254.240	1.421	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CC[C@H]1C(=O)O	1573608618	UDRDAJRIMFSBCH-INTQDDNPSA-N	293.319	1.256	10	20	CDCD	
Oc1cc(F)c(F)cc1CN1CCC2(CCN2)CC1	1580888754	YAMZGFDDDBEHEQ-UHFFFAOYSA-N	268.307	1.998	10	20	CDCD	
Oc1cc(Br)ccc1CN[C@H]1CNCC12CC2	1580888689	VXHRNDTXERRBPW-LBPRGKRZSA-N	297.196	1.996	10	20	CDCD	
Cc1n[nH]cc1CN[C@@H](C)c1cccc(-c2nn[nH]n2)c1O	1592331782	VAAWFSUJPHUREG-VIFPVBQESA-N	299.338	1.455	10	20	CDCD	
CCN1CC[C@H]1CN[C@H](C)c1cc(C(=O)O)ccc1O	1596415348	JPEPBQQFYVEHGQ-PWSUYJOCSA-N	278.352	1.835	10	20	CDCD	
OC[C@@H]1CCCN(Cc2cc3c(cc2O)OCO3)C1	154573788	UIJNPTSTSYGWGZ-SNVBAGLBSA-N	265.309	1.325	10	20	CDCD	
C[C@@H]1CCCN(C(=O)Cc2ccc(N)cc2)[C@H]1CCN	846692365	ANSPMBAVWIVGII-DOMZBBRYSA-N	275.396	1.787	10	20	CDCD	
C[C@@H](Cn1cccn1)NC(=O)c1cccc(O)c1O	126294654	GPIOLYZXBRUEKS-VIFPVBQESA-N	261.281	1.113	10	20	CDCD	
COCC[C@@](C)(O)CN[C@H](C)c1ccc(F)cc1O	185467158	TYAPCCDSZQNLHP-QMTHXVAHSA-N	271.332	1.969	10	20	CDCD	
C[C@H](O)C1CCN(C(=O)Cc2ccc(N)cc2)CC1	82284177	PZTVZPQNSVMXKN-NSHDSACASA-N	262.353	1.431	10	20	CDCD	
C[C@@H]1CCN(C(=O)Cc2ccc(N)cc2)[C@H](CN)C1	261672195	CSTMARSGWGKZJF-RISCZKNCSA-N	261.369	1.397	10	20	CDCD	
Oc1ccccc1CN1CCC[C@@H](C2OCCO2)C1	179568207	TZNUMQBKBRQYPD-CYBMUJFWSA-N	263.337	1.977	10	20	CDCD	
COc1ccc(O)c(CN2CCC[C@@H](CCC(N)=O)C2)c1	179905403	RSJBUIFATFNESD-LBPRGKRZSA-N	292.379	1.878	10	20	CDCD	
C[C@@H]1CCN(Cc2cc(F)ccc2O)C[C@H]1CN	300434929	BGWJHDNBAUKQKF-ZYHUDNBSSA-N	252.333	1.948	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2cc[nH]c2C)c1	176158311	DNXGBEQXDJHJEI-UHFFFAOYSA-N	260.293	1.967	10	20	CDCD	
C[C@@H](NC[C@@H](C)N1CCN(C)CC1)c1ccccc1O	183496274	GBZVBGLZJFEGNF-ZIAGYGMSSA-N	277.412	1.679	10	20	CDCD	
CNC(=O)C(C)(C)CNCc1cc(Cl)ccc1O	120208111	GPVAUSVCJXIXFO-UHFFFAOYSA-N	270.760	1.907	10	20	CDCD	
CC1CCN(CC(=O)NCCc2ccc(O)c(O)c2)CC1	122672539	VZTRQEXNTZHVRG-UHFFFAOYSA-N	292.379	1.488	10	20	CDCD	
COc1ccc(N2CCN(c3ccnc(N)n3)CC2)cc1	126434190	MIIJZZSNGWJBGK-UHFFFAOYSA-N	285.351	1.394	10	20	CDCD	
CC1(C)[C@@H](O)C[C@H]1NCc1cc([N+](=O)[O-])ccc1O	183769899	XBCVZQIKLMHYQR-NEPJUHHUSA-N	266.297	1.549	10	20	CDCD	
COc1ccnc(NC(=O)c2cccc(O)c2O)c1	187212030	BUHAESVGVVEGCJ-UHFFFAOYSA-N	260.249	1.754	10	20	CDCD	
CC1(CO)CCN(Cc2cc3c(cc2O)OCO3)CC1	184075160	UEGAEVULULYHHA-UHFFFAOYSA-N	279.336	1.715	10	20	CDCD	
C[C@@H](O)CCCNCc1cc2c(cc1O)OCO2	227962386	FURGPIRSHVTTIM-SECBINFHSA-N	253.298	1.372	10	20	CDCD	
COc1cccc(CNc2ccc3nnc(C)n3n2)c1O	92649015	HCTGZNTZCVVBME-UHFFFAOYSA-N	285.307	1.759	10	20	CDCD	
COC[C@@H](CO)N[C@H](C)c1cc(OC)ccc1O	234898764	SBQGNBPUBUKLFP-NXEZZACHSA-N	255.314	1.059	10	20	CDCD	
COc1cc(N2CCO[C@@H](C)C2)c([N+](=O)[O-])cc1OC	271022060	JMGUGURLUWLBIZ-VIFPVBQESA-N	282.296	1.837	10	20	CDCD	
COc1cccc(CNC(=O)C[C@](C)(O)C2CC2)c1O	270265108	UWXGYLMENBTHTJ-HNNXBMFYSA-N	279.336	1.568	10	20	CDCD	
C[C@H]1CC(=O)NCCN1Cc1cc(Cl)ccc1O	368594221	RTBMJFSHZAUKGO-VIFPVBQESA-N	268.744	1.756	10	20	CDCD	
Cc1ccc(C(=O)N2CCC[C@@H](OCCO)C2)c(O)c1O	272806057	ZKKIXYHTNUBLAT-LLVKDONJSA-N	295.335	1.020	10	20	CDCD	
Cc1cccc(CN2CCN(C[C@@H](C)O)C[C@H]2C)c1O	284291088	IBTIXNSQSSRBEB-ZIAGYGMSSA-N	278.396	1.588	10	20	CDCD	
CC1(C)CN(Cc2cc3c(cc2O)OCO3)[C@@H]2COC[C@@H]21	384815713	HFFUOXHFODPBMU-NWDGAFQWSA-N	291.347	1.978	10	20	CDCD	
O=C1NC(=S)S/C1=C/c1cc(F)ncc1F	806565490	OMZXUAMDNZBOMU-LZCJLJQNSA-N	258.274	1.849	10	20	CDCD	
COC[C@H](O)CNCc1cc(Cl)c(F)cc1O	293626578	MWHJGAIUTQBVNN-MRVPVSSYSA-N	263.696	1.282	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)C(=O)c1cccn1C	806500110	SNVYJWMGJRCVCP-UHFFFAOYSA-N	272.304	1.572	10	20	CDCD	
COc1cccc(CNC(=O)[C@H]2CC2(F)F)c1O	295302475	RBPGJAFOYLLSBG-MRVPVSSYSA-N	257.236	1.672	10	20	CDCD	
C[C@H]1CCC[C@@]1(O)CNC(=O)/C=C/c1ccc(O)c(O)c1	293953527	ALXXHFBZZXIFCQ-WYMJTBKXSA-N	291.347	1.778	10	20	CDCD	
CC(C)[C@@H](C(=O)NCCc1ccc(N)cc1)[C@H](C)N	818545152	MBOWFKKEASZUPG-SMDDNHRTSA-N	263.385	1.547	10	20	CDCD	
CC[C@@H](NCCN1CCNCC1)c1ccc(N(C)C)cc1	817943955	SXQDJLDWJUBPFK-QGZVFWFLSA-N	290.455	1.699	10	20	CDCD	
CCn1nc(C)c(CNCc2cc(C)ccc2O)n1	818220450	HBKVEDYADJWCLS-UHFFFAOYSA-N	260.341	1.910	10	20	CDCD	
CCC1(CNCc2ccc([N+](=O)[O-])c(OC)c2O)COC1	825079203	NVLNMOXSFDCVRJ-UHFFFAOYSA-N	296.323	1.825	10	20	CDCD	
CN(C)C(=O)N[C@H]1CCCN(Cc2ccccc2O)C1	825278768	IFYBRTVCYDAXLK-ZDUSSCGKSA-N	277.368	1.628	10	20	CDCD	
CCCNC(=O)CCC(=O)N[C@H](C)c1ccccc1O	827930740	PPPWNPHADIIBMJ-LLVKDONJSA-N	278.352	1.876	10	20	CDCD	
O=C(O)c1cc2n(n1)CCC[C@H]2NCc1ccccc1O	905792619	CZHQNPSWFKVVLU-LLVKDONJSA-N	287.319	1.912	10	20	CDCD	
CC[C@@H](NC(=O)c1cccc(O)c1O)[C@H](O)C(C)C	839866434	FLLIMFDAGHGIMQ-ZYHUDNBSSA-N	267.325	1.623	10	20	CDCD	
C[C@H](N)C[C@H](C)NC(=O)N(C)Cc1ccccc1O	831202851	NIBCDIVNLNNFQN-QWRGUYRKSA-N	265.357	1.659	10	20	CDCD	
C[C@H](CCO)SCC(=O)NCc1ccc(N(C)C)cc1	741732702	OMJPXWLVQLUHHO-GFCCVEGCSA-N	296.436	1.873	10	20	CDCD	
C[C@@H]1C[C@@H](O)CN1c1ccc(/C=C\C(=O)O)cc1[N+](=O)[O-]	844213042	FRNASGQLVATWGV-VVCGMDSISA-N	292.291	1.652	10	20	CDCD	
COC(=O)C[C@@H](C)CC(=O)NCc1ccc(O)cc1O	910946520	ONKLRBONZPEIEX-VIFPVBQESA-N	281.308	1.303	10	20	CDCD	
CO[C@H]1C[C@H](NC(=O)NCCc2ccc(N)cc2)C1(C)C	841853648	FPUWTQZEWYHBBZ-KBPBESRZSA-N	291.395	1.924	10	20	CDCD	
COc1cc(O)c(CN2C[C@H](C)NC[C@@H]2C)cc1OC	843119922	OAAOKEOXTDWWAE-QWRGUYRKSA-N	280.368	1.592	10	20	CDCD	
COc1ccc(N(C)CCN(C)C(=O)C2(O)CCC2)cc1	846442807	YVDDZFRAFVGBOY-UHFFFAOYSA-N	292.379	1.505	10	20	CDCD	
CCOc1ccc(O)c(CN2CC[C@@H](C(=O)N(C)C)C2)c1	840957955	NLHIPURACLEVQI-GFCCVEGCSA-N	292.379	1.701	10	20	CDCD	
CCN1C(=O)C(C)(C)N[C@@H]1c1cc(O)c(O)c(OC)c1	840833656	SAGVKPRYIOBEIQ-LBPRGKRZSA-N	280.324	1.335	10	20	CDCD	
Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2CN(C)CC3)c(O)c1O	923275037	XWRDBMCBOLIUMU-NWDGAFQWSA-N	290.363	1.715	10	20	CDCD	
O=C(NCc1ccccc1O)[C@@H]1CCCN1C(=O)C1CC1	843833855	XMSRREAEARHZBA-ZDUSSCGKSA-N	288.347	1.409	10	20	CDCD	
COc1cc(O)c(CN2CC[C@H](N)C[C@H]2C)cc1OC	846704190	SEBVHONTJIRYEI-PWSUYJOCSA-N	280.368	1.721	10	20	CDCD	
C[C@H](NCCN1CC[C@@H](O)C1)c1cc(Cl)ccc1O	858547313	FRCKROOACIRWLX-CMPLNLGQSA-N	284.787	1.763	10	20	CDCD	
CO[C@@H](C)C(=O)NCc1ccc(N2CCC(O)CC2)cc1	856210531	GQJDYIWKYGFBLB-LBPRGKRZSA-N	292.379	1.299	10	20	CDCD	
O=C(OCCOC[C@H]1CCCO1)c1cccc(O)c1O	758547407	LAHNPIJTUAFVSQ-SNVBAGLBSA-N	282.292	1.450	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)NCC2(CO)CCC2)c1	757655268	CYURHSQUZURALD-LLVKDONJSA-N	293.363	1.992	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)NC[C@@](C)(O)C2CC2)c1	756570596	WSCJUJRPTKFOKT-QLJPJBMISA-N	293.363	1.990	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)NCc2cc[nH]n2)c1	756555043	RKZHUETUDYQMAO-SECBINFHSA-N	275.308	1.753	10	20	CDCD	
Cc1nc(=NCc2cc(F)c(N(C)C)cc2F)n(C)[nH]1	865291908	UJYBFOVZGKMMMB-UHFFFAOYSA-N	281.310	1.502	10	20	CDCD	
CCn1cc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)nn1	935461331	AOHJDTBBBMZJES-NSHDSACASA-N	287.367	1.855	10	20	CDCD	
COC(=O)CCCC(=O)NCc1cccc(OC)c1O	764462905	QHANJYFIZJIXPJ-UHFFFAOYSA-N	281.308	1.360	10	20	CDCD	
O=Cc1cc(C(=O)NCCc2ccc(O)c(O)c2)cs1	767773378	GYEPHZMIRYIXMI-UHFFFAOYSA-N	291.328	1.944	10	20	CDCD	
CN(CCCN1C(=O)NC(C)(C)C1=O)c1ccc(N)cc1	863557027	GZHIHDPPUHDNLM-UHFFFAOYSA-N	290.367	1.426	10	20	CDCD	
COC[C@](C)(CC(=O)OC)NCc1ccc(C)cc1O	877326030	RHCMKTCJRMXILI-HNNXBMFYSA-N	281.352	1.758	10	20	CDCD	
COCCCNC(=O)CN(C)Cc1ccc(C)cc1O	876550673	ASMDRQGLGIFOHX-UHFFFAOYSA-N	280.368	1.285	10	20	CDCD	
CC[C@H](CO)C(=O)NCCCSc1nccs1	779778448	XLJREMXCLDNSHG-SECBINFHSA-N	274.411	1.760	10	20	CDCD	
O=C1CN(Cc2cc(Cl)cc(F)c2O)CCCN1	775665013	WKJVDJKGJOMGCS-UHFFFAOYSA-N	272.707	1.507	10	20	CDCD	
O=C(O)CN1C(=O)/C(=C/c2ccc(F)nc2)SC1=S	777884124	JTJFFSWVQCNEQC-CLTKARDFSA-N	298.320	1.507	10	20	CDCD	
Nc1ccc(CNC(=O)[C@]2(C(F)(F)F)CCNC2)cc1	1122444958	LGADVUVXOWXHHQ-LBPRGKRZSA-N	287.285	1.427	10	20	CDCD	
CCOC(=O)[C@@H]1CCN(Cc2c(O)cccc2OC)C1	896962014	HSVRBXHSIHCDOD-LLVKDONJSA-N	279.336	1.786	10	20	CDCD	
CCn1nc(C)c(CNC(=O)c2cccc(O)c2O)c1C	790631820	SLMXUGPWJZXEON-UHFFFAOYSA-N	289.335	1.861	10	20	CDCD	
COc1ccc(CNC(=O)c2ccc([N+](=O)[O-])[nH]2)c(O)c1	794378323	URQKPBYDBGKOEA-UHFFFAOYSA-N	291.263	1.567	10	20	CDCD	
COC(=O)[C@H]1CCC[C@@H]1NCc1cc(OC)ccc1O	1321868672	SNFNFNDHIHORTR-STQMWFEESA-N	279.336	1.832	10	20	CDCD	
Cc1nc([C@H](C)NC(=O)/C=C\c2ccc(O)c(O)c2)no1	1320757257	VVHOGKHZCQZRKA-HORMHSFOSA-N	289.291	1.680	10	20	CDCD	
CC1(C)CCN(CCNC(=O)NCc2ccc(N)cc2)C1	1335693252	VUWOOPIOHAMYOK-UHFFFAOYSA-N	290.411	1.800	10	20	CDCD	
C[C@@H]1CCC[C@@]1(O)CNC(=O)NCc1ccc(N)cc1	1338792446	GPKALRIUXJKNPR-IAQYHMDHSA-N	277.368	1.619	10	20	CDCD	
CN(Cc1ccccc1O)c1nnc(C2CC(O)C2)n1C	1339121668	SJHOOAADMCGLGF-UHFFFAOYSA-N	288.351	1.395	10	20	CDCD	
C[C@@H](NCc1ccccc1O)C1CCS(=O)(=O)CC1	779020720	YURGMHHJBIUUCM-LLVKDONJSA-N	283.393	1.695	10	20	CDCD	
COc1cc(C)cc(CN[C@H](CO)CCF)c1O	1332718801	UXYUWXUWHMZXNP-NSHDSACASA-N	257.305	1.519	10	20	CDCD	
CN1CCN(c2ccc(CN[C@@H]3CC[C@H]3O)cc2F)CC1	1336777809	QFGWDSHFAHNILJ-GDBMZVCRSA-N	293.386	1.190	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1C[C@H]1F	1348212302	KCKAQBVBNOBPIA-SZEHBUNVSA-N	253.273	1.503	10	20	CDCD	
C[C@H](NCCCC(=O)O)c1cc([N+](=O)[O-])ccc1O	1603248781	RMMYLBDTRABPHS-QMMMGPOBSA-N	268.269	1.816	10	20	CDCD	
Cc1ccc(CN[C@H](C(=O)O)c2ccnn2C)c(O)c1	1600418596	BEJLGMGBHQHBQR-ZDUSSCGKSA-N	275.308	1.350	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C[C@@H]1CC(F)(F)CN1	1578427680	ZKTUAJARWGHQDT-NSHDSACASA-N	297.349	1.949	10	20	CDCD	
Cc1ccc(C(=O)N[C@H]2CC[C@H]3CCN[C@H]2C3)c(O)c1O	1579662029	CFTGBEPUINXMHM-DRZSPHRISA-N	290.363	1.667	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN(C)C[C@H](C)C(=O)O)c1O	1594048563	SSQZMNZCFZNQSB-QMMMGPOBSA-N	298.295	1.462	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@@H]2CC[C@H](C(=O)O)C2)c1	1594373233	JZJKLJDQKGDPMV-MNOVXSKESA-N	277.320	1.818	10	20	CDCD	
CC[C@@H]1C(=O)NCCN1Cc1cc(C)cc(C)c1O	164303525	AXTYRSCQFNNXKI-CYBMUJFWSA-N	262.353	1.719	10	20	CDCD	
OCCOCCCNCc1ccc2c(c1)CCO2	227333051	BANQVXMAXNULCP-UHFFFAOYSA-N	251.326	1.110	10	20	CDCD	
CCCNC(=O)[C@@H](C)N[C@H](C)c1cc(OC)ccc1O	36959689	HMTMSHSYJXZWAS-GHMZBOCLSA-N	280.368	1.966	10	20	CDCD	
CCCN(C(=O)Cc1ccc(N)cc1)[C@@H]1CCNC1	178891186	HAFDASSWIYOKEO-CQSZACIVSA-N	261.369	1.412	10	20	CDCD	
COc1ccc(N2CCC(NCCO)CC2)cc1	305073380	MMGCRRPUZCNMRD-UHFFFAOYSA-N	250.342	1.246	10	20	CDCD	
CCOC[C@@H](O)CN[C@H](C)c1ccc(N(C)C)cc1	312032284	YDKKRKYJEHZNGF-DOMZBBRYSA-N	266.385	1.801	10	20	CDCD	
O=C(NCCNCc1cc(F)cc(F)c1O)C1CC1	708497802	VDOZKVRWTHVBNX-UHFFFAOYSA-N	270.279	1.286	10	20	CDCD	
COc1cc(Cl)cc(CNCCN2CCC2)c1O	697429169	KNCZWOMNBFYWPV-UHFFFAOYSA-N	270.760	1.850	10	20	CDCD	
CCCN(CC(N)=O)Cc1cc(Cl)ccc1O	393838058	PWCFVXCSXJVBDW-UHFFFAOYSA-N	256.733	1.743	10	20	CDCD	
CN(Cc1ccccc1O)Cc1nnnn1-c1ccccc1	109772832	MLBMOOYSAQKDLA-UHFFFAOYSA-N	295.346	2.000	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)NCCOC)cc1	56185460	YLMOIKFDBXLGCO-UHFFFAOYSA-N	279.384	1.978	10	20	CDCD	
Cc1ccc(O)c(CNCCNC(=O)C(C)C)c1	71406404	UDCSNIJFWIJXSQ-UHFFFAOYSA-N	250.342	1.562	10	20	CDCD	
COc1cc(N2C[C@H](C)N[C@@H](C)C2)c([N+](=O)[O-])cc1OC	213809808	HFKYQWUGJQFPCD-UWVGGRQHSA-N	295.339	1.799	10	20	CDCD	
COc1cccc(CNS(=O)(=O)c2ccco2)c1O	188710754	NLKNVKHYQGJJTO-UHFFFAOYSA-N	283.305	1.472	10	20	CDCD	
CS[C@H](C)CNC(=O)/C=C/c1ccc(O)c(O)c1	181250636	XILKEUSCLINTAS-OTQAPUNGSA-N	267.350	1.979	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)Nc1ccc(C#N)nn1	183598366	GEHZPWJXPQTHKJ-SECBINFHSA-N	270.292	1.803	10	20	CDCD	
Cc1ccc(C(=O)NC[C@@H](O)CC(C)(C)C)c(O)c1O	182466060	WCSIBBOLJOJPRI-JTQLQIEISA-N	281.352	1.933	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2CC(=O)NC1CC1	175027364	RKSFZIYPBONNAX-UHFFFAOYSA-N	275.352	1.230	10	20	CDCD	
C[C@@H](NC(=O)c1cccc(O)c1O)C(C)(C)CN(C)C	193090724	KCLSOUPQTZLKGF-SNVBAGLBSA-N	280.368	1.804	10	20	CDCD	
CCOc1cccc(CN2CC[C@H]([C@H](C)O)C2)c1O	248422068	YLSPQQVSTZXOFB-RYUDHWBXSA-N	265.353	1.994	10	20	CDCD	
C[C@H]1CCN(Cc2ccccc2O)CC[S@]1=O	277655737	ORBWSPLDRORWPI-APPDUMDISA-N	253.367	1.735	10	20	CDCD	
CNC(=O)CCCN[C@H](C)c1cc(C(=O)OC)ccc1O	273566885	JVPAIZYDTXADII-SNVBAGLBSA-N	294.351	1.356	10	20	CDCD	
Oc1ccc(F)cc1CN[C@H]1CCO[C@]2(CCOC2)C1	373143291	WSJIKSSHOUMUGV-DZGCQCFKSA-N	281.327	1.959	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)c2cnn(C)n2)cc1	284082229	RHKONAKMAPLCKF-UHFFFAOYSA-N	287.367	1.591	10	20	CDCD	
COC(=O)c1cnoc1CN(C)Cc1ccccc1O	285528810	GVAZPNYIMXZNEL-UHFFFAOYSA-N	276.292	1.799	10	20	CDCD	
CC[C@H](CNC(=O)c1c(F)ccc(O)c1O)OC	296007625	LBUFRLNLLZVMDY-SSDOTTSWSA-N	257.261	1.392	10	20	CDCD	
C[C@@H](NC(=O)c1cccc(O)c1O)c1noc(C(F)F)n1	819573532	QRNHGXXSNXJSFC-RXMQYKEDSA-N	299.233	1.909	10	20	CDCD	
COC(=O)N[C@@H](C)C(=O)N[C@H](C)c1ccccc1O	827941714	XATOOTWCEZMBPE-BDAKNGLRSA-N	266.297	1.314	10	20	CDCD	
C[C@@H]1C[C@H](N[C@@H]2COC[C@H]2O)c2c(O)ccc(F)c21	834897962	XSULCXBUFYLBEX-DLYFRVTGSA-N	267.300	1.429	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCCN2C=O)c1	830541008	QXVPHOKRUHVMEQ-GWCFXTLKSA-N	292.335	1.199	10	20	CDCD	
CCO[C@@H](CC)C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1	832279858	MAAIJOIRBIZEOT-CABCVRRESA-N	293.411	1.684	10	20	CDCD	
Cc1n[nH]cc1CN(C)c1ccc(OCC(=O)O)cc1	902017561	VWVINUTTYVUARD-UHFFFAOYSA-N	275.308	1.818	10	20	CDCD	
N=C(NCc1ccc(N2CCOCC2)cc1)N1CCC1	848991218	NNYOUZCEBJRFKT-UHFFFAOYSA-N	274.368	1.253	10	20	CDCD	
C[C@@H](N)CNC(=O)NCCCSc1nccs1	841855914	DERGQXFBHLSWLG-MRVPVSSYSA-N	274.415	1.272	10	20	CDCD	
O=C(O)c1coc(C(=O)COC(=O)c2cc(O)cs2)c1	740255931	BPHWLBCXMSWXNA-UHFFFAOYSA-N	296.256	1.785	10	20	CDCD	
CN(C)CC(C)(C)NC(=O)NCCc1ccc(N)cc1	841955872	QDIBVBZBMCNAKE-UHFFFAOYSA-N	278.400	1.451	10	20	CDCD	
CN(C)c1ccc(CNCC(F)(F)CN)cc1F	841060201	SROSCXIFZZDIGO-UHFFFAOYSA-N	261.291	1.575	10	20	CDCD	
CN(C)c1cc(F)c(CNC[C@@H]2CCN2C)cc1F	922574884	RDYRMYRWMIOMKH-NSHDSACASA-N	269.339	1.825	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2ccc3nn[nH]c3n2)cc1	753782353	PKFOJMOMRFZKJR-UHFFFAOYSA-N	296.334	1.349	10	20	CDCD	
C[C@H](NC(=O)c1ncnn1C)c1ccc(N(C)C)cc1	853805572	XKTHWOZJOGDWMB-JTQLQIEISA-N	273.340	1.372	10	20	CDCD	
C[C@H](NC[C@H](O)CN(C)C)c1cc2c(cc1O)CCCC2	756554566	IIPNLLLUEPQFPK-WFASDCNBSA-N	292.423	1.844	10	20	CDCD	
COC(=O)C[C@H]1CCCN1Cc1c(O)cccc1OC	769484844	VPDCBZZCLNTKMI-LLVKDONJSA-N	279.336	1.928	10	20	CDCD	
Cc1ccc(CNC[C@H](CO)[C@@H]2CCOC2)c(O)c1	877493425	BELFOWUIEMUKBX-ZIAGYGMSSA-N	265.353	1.435	10	20	CDCD	
Cc1ncoc1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	773746145	XTGIATDCDNYFRE-QMMMGPOBSA-N	276.292	1.755	10	20	CDCD	
CC(C)(CCO)NCc1ccc(N2CCC(O)CC2)cc1	877041633	ICNKDIFVSBUWSC-UHFFFAOYSA-N	292.423	1.898	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)NCCCN1CCCC1	779488438	GBDVQXRHQBMVDF-ALCCZGGFSA-N	290.363	1.713	10	20	CDCD	
NS(=O)(=O)c1cnc(NCc2ccccc2O)s1	774524544	VFEFXVYUBYACGK-UHFFFAOYSA-N	285.350	1.108	10	20	CDCD	
C[C@H]1C[C@@H]1C(=O)OCC(=O)c1ccc(O)c(O)c1	784755730	ROLPAKWHRKQUCP-CBAPKCEASA-N	250.250	1.480	10	20	CDCD	
O=C(COC(=O)[C@@H]1C[C@]12CCOC2)c1ccc(O)c(O)c1	784728879	LKFVWGUGGVSCOT-BONVTDFDSA-N	292.287	1.250	10	20	CDCD	
COCCN(CCN(C)C)Cc1cc(F)cc(F)c1O	894770901	UTUMPHLJFPLEIN-UHFFFAOYSA-N	288.338	1.680	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN[C@H]1CS(=O)(=O)C[C@H]1C	895797276	YVJMGBSHESBZOE-DOMZBBRYSA-N	296.436	1.584	10	20	CDCD	
COc1ccc(CN[C@@H]2CCOC2)c(O)c1OC	893181490	LZPVMCSUSUTBLN-SNVBAGLBSA-N	253.298	1.288	10	20	CDCD	
CSCC[C@H](O)C(=O)N(C)Cc1ccccc1O	270817900	QRJKGYBLXVUEKS-LBPRGKRZSA-N	269.366	1.465	10	20	CDCD	
C[C@@H](CCO)CNC(=O)NCc1ccc(N)cc1	1335724639	HMBVUZOPCZJSCS-JTQLQIEISA-N	251.330	1.087	10	20	CDCD	
CCCN(C(=O)NCc1ccc(N)cc1)[C@@H]1CCNC1	1338793690	RYMQGOSSJDPQQC-CQSZACIVSA-N	276.384	1.552	10	20	CDCD	
Cc1cccc(CCNC(=O)c2cccc(O)c2O)n1	689485655	MFSBEGSWNWGOHI-UHFFFAOYSA-N	272.304	1.774	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC[C@H]2C[C@H](O)C2)c1	720985096	HIGWFMFFYNCVDC-GMTAPVOTSA-N	251.326	1.822	10	20	CDCD	
Nc1ccc(CNC(=O)N[C@H]2CCC[C@@H](N)C2)cc1	1262586104	UZKWALIOJGFOLJ-OLZOCXBDSA-N	262.357	1.338	10	20	CDCD	
CCN(CC(OC)OC)C(=O)c1cccc(O)c1O	1348132276	YFWPVBZIHMIAMS-UHFFFAOYSA-N	269.297	1.179	10	20	CDCD	
CSCCCNC(=O)NCc1ccc(N)cc1	1357166293	LUMLQJOXCVRZIZ-UHFFFAOYSA-N	253.371	1.821	10	20	CDCD	
C[C@@H](N[C@H](C)c1ncnn1C)c1cc(C(=O)O)ccc1O	1604323248	XHNFRHLSHISDJP-RKDXNWHRSA-N	290.323	1.631	10	20	CDCD	
CC[C@@H](CNC(=O)c1ccc(C)c(O)c1O)C(=O)O	1573804441	UYVLOTMCMWRACU-QMMMGPOBSA-N	267.281	1.247	10	20	CDCD	
O=C(NCc1c(O)cccc1O)c1ccc2c(c1)CCN2	1580707750	FPQCMTLEADCLCL-UHFFFAOYSA-N	284.315	1.996	10	20	CDCD	
CC[C@H](NC/C=C/CO)c1cccc(-c2nn[nH]n2)c1O	1590467356	PSVBLJFCMNRJTO-PCAWENJQSA-N	289.339	1.162	10	20	CDCD	
CCN1C[C@@H](N[C@H](C)c2cc(C(=O)O)ccc2O)CC1=O	1596403473	XZGKMPWJAMEHKV-KOLCDFICSA-N	292.335	1.362	10	20	CDCD	
C[C@@H](NC(=O)NCC1(C(=O)O)CC1)c1ccccc1O	1599839979	PCZOTGSFZMRDLZ-SECBINFHSA-N	278.308	1.617	10	20	CDCD	
COc1ccc(O)c(CN[C@H](CC(F)(F)F)C(=O)O)c1	1599597866	ABLBDSABGSHTJM-SECBINFHSA-N	293.241	1.896	10	20	CDCD	
CN(C)c1ccc(CN[C@]2(C(=O)O)C[C@@H](F)C2)cc1	1777040103	AEOXTMWNQCNYLC-YEORSEQZSA-N	266.316	1.798	10	20	CDCD	
Cc1nnc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)s1	152982880	OVIMZWQWFJKDQU-ZETCQYMHSA-N	293.348	1.619	10	20	CDCD	
CCN1CCC[C@@H]1CNC(=O)c1cccc(O)c1O	126229427	DOQNZCHTDCIQRJ-SNVBAGLBSA-N	264.325	1.312	10	20	CDCD	
CC(C)C[C@H](CNC(=O)Cc1ccc(N)cc1)N(C)C	40831306	AACPLLAFAKJHDQ-OAHLLOKOSA-N	277.412	1.904	10	20	CDCD	
CN(C)CC(C)(C)NC(=O)c1cccc(O)c1O	308698282	OYRRLEFMHLZXRU-UHFFFAOYSA-N	252.314	1.168	10	20	CDCD	
COc1ccc(N(C)C[C@H](O)CN(C)C2CC2)cc1	388372106	PRWIVVQWIXPVLB-CQSZACIVSA-N	264.369	1.587	10	20	CDCD	
COc1ccc(O)c([C@H](C)NCc2nc(O)n[nH]2)c1	392476898	YLDITQGVRARVNL-ZETCQYMHSA-N	264.285	1.075	10	20	CDCD	
COc1cccc(CNc2ccncc2C(N)=O)c1O	302223372	NMQIAOMANCHCSR-UHFFFAOYSA-N	273.292	1.507	10	20	CDCD	
C[C@@H](CN[C@@H](C)c1ccccc1O)CN1CCN(C)CC1	183491641	MSVSGAPTXDNGPV-GJZGRUSLSA-N	291.439	1.926	10	20	CDCD	
Cc1ccc(C(=O)N(C)CCN(C)C)c(O)c1O	182547018	MXQWHZAAQULIOH-UHFFFAOYSA-N	252.314	1.040	10	20	CDCD	
C[C@H](CC[S@](C)=O)NCc1cc(F)ccc1O	226615473	JLXAOZBMJIHEPA-XLFHBGCDSA-N	259.346	1.778	10	20	CDCD	
Oc1ccc(F)cc1CN1CCOC[C@@]12CCOC2	195016126	FEWRSQHUEKSVGQ-AWEZNQCLSA-N	267.300	1.523	10	20	CDCD	
O=C(Nc1nnc(-c2ccco2)[nH]1)c1cccc(O)c1O	192971190	KYVLKTPVVSJRSA-UHFFFAOYSA-N	286.247	1.728	10	20	CDCD	
Cc1c(S(=O)(=O)Nc2ccc(O)cc2)cnn1C	381044761	WWLVZLNREKFHBT-UHFFFAOYSA-N	267.310	1.235	10	20	CDCD	
COc1cccc(CN2CC[C@H](C(=O)O)[C@@H]2C)c1O	92943105	OCWCSNIIXNMKJO-ONGXEEELSA-N	265.309	1.696	10	20	CDCD	
CN(C)c1ccc(CN2CCOC[C@H]2c2ncon2)cc1	360639876	VEZWTRDBZWRXRF-AWEZNQCLSA-N	288.351	1.709	10	20	CDCD	
CC[C@H](C)N(C)CCNC(=O)c1c(F)ccc(O)c1O	276553323	KOPZEJOHLLSOTJ-VIFPVBQESA-N	284.331	1.697	10	20	CDCD	
C[C@H]1CCN(C(=O)c2cccc(O)c2O)CC[S@@]1=O	277671926	WDYIYCFCLHMFTQ-UGZDLDLSSA-N	283.349	1.081	10	20	CDCD	
C[C@H](NCc1ccc(N(C)C)c(F)c1)c1ccc(=O)[nH]n1	286121366	OCSBZRZBHGVFGI-JTQLQIEISA-N	290.342	1.826	10	20	CDCD	
CC(C)[C@@H](NC(=O)c1cccc(O)c1O)c1ncc[nH]1	283035929	OZHAUAMBBHKBMA-LLVKDONJSA-N	275.308	1.948	10	20	CDCD	
C[C@H](OC(=O)/C=C/c1ccc(O)c(O)c1)c1nncn1C	805508829	NWBPVQRBHSVFBF-DNQSNQRASA-N	289.291	1.544	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@H]2CCCN2C)cc1F	299467616	AUERJAHPZKKNCX-CQSZACIVSA-N	279.359	1.602	10	20	CDCD	
CCCN(C)C(=O)C(=O)NCc1ccc(N(C)C)cc1C	807098562	YDVJNWRXZIGAAW-UHFFFAOYSA-N	291.395	1.546	10	20	CDCD	
CC(=O)C(=O)COC(=O)c1cccnc1SC(F)F	808490102	AQXMCXANNVWPAT-UHFFFAOYSA-N	289.259	1.711	10	20	CDCD	
COC(=O)c1cnc(SCC[C@@H]2CCOC2=O)s1	294927076	CTTFOBJDECJTPB-ZETCQYMHSA-N	287.362	1.975	10	20	CDCD	
CCn1ccnc1C(=O)NCc1ccc(O)c(O)c1	813490118	HJHLUUAJCLRAKQ-UHFFFAOYSA-N	261.281	1.244	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)NCC2CCNCC2)c1	817940806	KWOZKUNORLGQMU-LLVKDONJSA-N	292.379	1.829	10	20	CDCD	
Cc1ccc([C@H](C)NC[C@H]2CNCCO2)c(O)c1	817983790	QLJZZUACPGRDIP-NWDGAFQWSA-N	250.342	1.340	10	20	CDCD	
CCCNS(=O)(=O)NCc1ccc(N(C)C)cc1C	813666160	BCQQKBTVMLAEBH-UHFFFAOYSA-N	285.413	1.395	10	20	CDCD	
C[C@@H](CS(C)(=O)=O)C(=O)N[C@H](C)c1ccccc1O	827937255	PXRMYTQLXYPKNS-VHSXEESVSA-N	285.365	1.250	10	20	CDCD	
CCN1C(=O)/C(=C\c2ccc(C(=O)O)[nH]2)SC1=S	829740127	DOIHFXDOCQVKNP-VMPITWQZSA-N	282.346	1.934	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CCN[C@@H]1C	829764739	VUWYXIMYVPBQIL-DOMZBBRYSA-N	275.396	1.675	10	20	CDCD	
CCC(CC)[C@H](O)CNC(=O)c1cc(O)cs1	732300816	HTZIITKZEVCASC-SNVBAGLBSA-N	257.355	1.981	10	20	CDCD	
NCC[C@@H](NC(=O)Cc1ccc(N)cc1)C(F)(F)F	834861840	NOAHCKQGVOGMKA-SNVBAGLBSA-N	275.274	1.207	10	20	CDCD	
CCOc1ccc(CNC[C@]2(C)CCC(=O)N2)c(O)c1	835060875	OQUJCOOMKJXQFR-HNNXBMFYSA-N	278.352	1.549	10	20	CDCD	
COc1cccc(CNc2ncccc2-c2nn[nH]n2)c1O	737131487	DKIUGHRHJVEGDM-UHFFFAOYSA-N	298.306	1.588	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNCCCc1cnn(C)n1	840948198	BQNIUNKVUFKWIX-UHFFFAOYSA-N	287.411	1.912	10	20	CDCD	
Cn1cc([C@@H](O)CNCc2c(O)cccc2Cl)cn1	742376264	OSEKARTUEQPJTL-ZDUSSCGKSA-N	281.743	1.602	10	20	CDCD	
CC(=O)NCC(C)(C)C(=O)NCc1ccc(N(C)C)cc1	844307459	RDXSHGVQXCDHHM-UHFFFAOYSA-N	291.395	1.531	10	20	CDCD	
Cc1nc(O)[nH]c1C(=O)N[C@H](C)c1ccc(N(C)C)cc1	847759461	BPYDAQXVHWUEFL-SECBINFHSA-N	288.351	1.981	10	20	CDCD	
C[C@@H](CNC(=O)NCc1cc(Cl)ccc1O)N(C)C	845237597	CJCKODPVOXTTNH-VIFPVBQESA-N	285.775	1.795	10	20	CDCD	
CC(C)(C)n1nnc(CNCc2cc(F)ccc2O)n1	848923350	KBTPLIJRCMGPMK-UHFFFAOYSA-N	279.319	1.563	10	20	CDCD	
C[C@@]1(CNC(=O)NCCc2ccc(N)cc2)CCCNC1	841955505	FHAVITSBOOBLNT-MRXNPFEDSA-N	290.411	1.500	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N[C@@H]2CCCNC2)cc1F	841759461	GBOSYGBAOQZHGT-GFCCVEGCSA-N	294.374	1.443	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2nccn3ccnc23)c1	743410397	MJFQZRWPIWAPQS-UHFFFAOYSA-N	298.302	1.374	10	20	CDCD	
CCN1C[C@H](CN[C@H](C)c2cccc(OC)c2O)CC1=O	846208331	IGPFCDDAPBODAV-NEPJUHHUSA-N	292.379	1.920	10	20	CDCD	
CCc1cccc(CNCC2(C(N)=O)CCOCC2)c1O	848892770	GPJLUPQTAIVCMT-UHFFFAOYSA-N	292.379	1.326	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCC2(CC1)OCCCO2	854662179	SFXUNWCNUNSYLI-UHFFFAOYSA-N	283.349	1.823	10	20	CDCD	
CO[C@H](C)C(=O)NCc1ccc(N2CCC(O)CC2)cc1	856210530	GQJDYIWKYGFBLB-GFCCVEGCSA-N	292.379	1.299	10	20	CDCD	
C[C@H](N)CC(=O)NCc1ccc(N2CCC(O)CC2)cc1	852868808	OPFUNCNWALPZEQ-LBPRGKRZSA-N	291.395	1.001	10	20	CDCD	
O=C(NCCCSc1nccs1)c1cc(=O)cc[nH]1	932686651	LGVKOSAQJKUQLM-UHFFFAOYSA-N	295.389	1.744	10	20	CDCD	
CC[C@](C)(O)C(=O)NCc1ccc2c(c1)CCCN2C	931151992	BTJHILAVTZWACL-INIZCTEOSA-N	276.380	1.846	10	20	CDCD	
CN1C[C@@H](N(C)Cc2cc3c(cc2O)OCO3)CCC1=O	862428298	PDJUAUSDXNGYMA-NSHDSACASA-N	292.335	1.174	10	20	CDCD	
COC(=O)N1CCN(Cc2cc(OC)c(C)cc2O)CC1	768439853	LFOWEZFCSVIVON-UHFFFAOYSA-N	294.351	1.593	10	20	CDCD	
CCOC(=O)C1=NN(c2cccc(OC)c2)C(=O)[C@H]1C	871941393	QDHXXFGVQWJURF-VIFPVBQESA-N	276.292	1.597	10	20	CDCD	
C[C@H](CCO)N(C)Cc1ccc(N2CCC(O)CC2)cc1	877614433	DDJDDIJOWKAFFU-CQSZACIVSA-N	292.423	1.850	10	20	CDCD	
Cn1nc(C(=O)NCc2ccc(O)c(O)c2)cc1C1CC1	778920153	XZKXFFLDSDRMJW-UHFFFAOYSA-N	287.319	1.639	10	20	CDCD	
CCN1CC(=O)N(Cc2ccc(N(C)C)cc2C)C1=O	777655761	NEHQPKOWOLXNJT-UHFFFAOYSA-N	275.352	1.845	10	20	CDCD	
Cc1ccc(CNCCCNC(=O)C(C)C)c(O)c1	877119721	ATBZBLYFLRRLHG-UHFFFAOYSA-N	264.369	1.953	10	20	CDCD	
C[C@@H](NS(=O)(=O)N1CCCC1)c1ccc(N(C)C)cc1	773089681	UGCADBWPHXPLLA-GFCCVEGCSA-N	297.424	1.744	10	20	CDCD	
Cc1ccc(CN2CCN([C@@H]3CCOC3)CC2)c(O)c1	877627106	JKAZBVJGZUMEQO-OAHLLOKOSA-N	276.380	1.607	10	20	CDCD	
COCCONC(=O)NCc1ccc2c(c1)CCCN2C	788928870	NQZSXDVVYRSPDA-UHFFFAOYSA-N	293.367	1.446	10	20	CDCD	
CCN(CC)C[C@@H](C)NC(=O)c1ccc(C)c(O)c1O	780939896	KPPVYNNELRZSCQ-LLVKDONJSA-N	280.368	1.866	10	20	CDCD	
COc1ccc(CN[C@H]2C[C@H](O)C2(C)C)c(O)c1OC	893707118	NNVXNFVDPVPCKL-RYUDHWBXSA-N	281.352	1.658	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N2C[C@@H]3C[C@]3(CO)C2)cc1	782920065	YPTGSUWUDZPCBV-XJKSGUPXSA-N	289.379	1.276	10	20	CDCD	
C[C@@H]1[C@H](C(=O)NCCc2ccc(O)c(O)c2)CCN1C	788306765	IGSJEQSXNCDJOA-ZYHUDNBSSA-N	278.352	1.097	10	20	CDCD	
CC1(C)CN(Cc2cc(F)cc(F)c2O)C[C@H](CO)O1	895034010	OKIFSVOOMNDSJV-LLVKDONJSA-N	287.306	1.642	10	20	CDCD	
N[C@H]1CCC[C@H](NC(=O)N2Cc3cccc(O)c3C2)C1	892090332	VNTIFDXFCLBYBU-RYUDHWBXSA-N	275.352	1.687	10	20	CDCD	
Oc1cc2c(cc1CN1CC(OC(F)F)C1)OCO2	797821554	ZDBFKDHHEHMFNG-UHFFFAOYSA-N	273.235	1.544	10	20	CDCD	
COc1cc(C)cc(CN[C@@H]2CCCCNC2=O)c1O	894170622	WWSQSHQCVSDUFL-GFCCVEGCSA-N	278.352	1.468	10	20	CDCD	
Cc1nc(CCNCc2c(O)ccc(Cl)c2F)n[nH]1	790982762	YJSPKWNZXHOOIO-UHFFFAOYSA-N	284.722	1.944	10	20	CDCD	
CCOc1cc(N2CC=C(CCNC(C)=O)CC2)ncn1	1089802136	GDUZOTNTWSKBLE-UHFFFAOYSA-N	290.367	1.538	10	20	CDCD	
CC(C)(O)[C@@H]1CCCN(C(=O)c2cccc(O)c2O)C1	719641252	ZLYGWFDXHDPGPX-SNVBAGLBSA-N	279.336	1.721	10	20	CDCD	
C[C@H](NC[C@H]1CN(C)CCN1C)c1cc(F)ccc1O	94618239	DDGDQEYVHYGYTN-AAEUAGOBSA-N	281.375	1.428	10	20	CDCD	
O=C(NCc1cccc(O)c1O)[C@@H]1C[C@]12CCOC2	1347232819	CFCPWZVBRFJGLU-HZMBPMFUSA-N	263.293	1.141	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)C23CC(CN2)C3)cc1	1343391379	IBCTWYZPPXEVPH-UHFFFAOYSA-N	287.407	1.901	10	20	CDCD	
CCc1noc(COCC(=O)N(C)c2ccc(N)cc2)n1	1354436132	JWEYDAPNRAFGQE-UHFFFAOYSA-N	290.323	1.394	10	20	CDCD	
Nc1ccc(CN2CCOC[C@H]2c2ncon2)cc1	1356083204	MHSWODUTTQTOSG-LBPRGKRZSA-N	260.297	1.225	10	20	CDCD	
Nc1ccc(CNC(=O)NC[C@H](O)C2CCC2)cc1	1353539606	NYBRHTXJMZCLTO-ZDUSSCGKSA-N	263.341	1.229	10	20	CDCD	
CCn1cc(C(=O)NCc2cccc(O)c2O)c(C)n1	1528770944	HVQFYTRGHRPLDW-UHFFFAOYSA-N	275.308	1.553	10	20	CDCD	
CC1(C)N[C@H](CCC(=O)NCc2cc(O)ccc2O)CO1	1576490032	XHIRPTAGGXZOIX-LLVKDONJSA-N	294.351	1.219	10	20	CDCD	
C[C@H](CC(=O)O)NC(=O)c1cc2cc(O)c(O)cc2s1	1589001706	UROBQKJMEZFXQS-ZCFIWIBFSA-N	295.316	1.906	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@@]2(C(=O)O)CC2(C)C)c1	1594105160	FTNHPQALVAEBDD-OAHLLOKOSA-N	293.319	1.518	10	20	CDCD	
C[C@](CO)(NCc1ccc(N2CCCCC2)cc1)C(=O)O	1592749685	HIPDSVXNWMPWMM-MRXNPFEDSA-N	292.379	1.602	10	20	CDCD	
CN(C(=O)/C=C\c1cn(C)cn1)c1ccccc1C(=O)O	1598005816	DISPXGHBKMNWAA-FPLPWBNLSA-N	285.303	1.795	10	20	CDCD	
CCOC(=O)c1c[nH]ccc1=NCc1ccccc1O	1116876707	CZGDWWVPXXNTGZ-UHFFFAOYSA-N	272.304	1.998	10	20	CDCD	
COC[C@H](O)CNCc1cc(Cl)cc(OC)c1O	228674762	OZJGQYUMOKFTIP-SNVBAGLBSA-N	275.732	1.151	10	20	CDCD	
CC(=O)N1CCC[C@@H]1C(=O)N(C)Cc1ccccc1O	268646521	QIKCFQILAJEFNC-CYBMUJFWSA-N	276.336	1.362	10	20	CDCD	
C[S@](=O)C1(CNCc2cc3c(cc2O)OCO3)CC1	282338643	LYEUABYZWBFZTA-IBGZPJMESA-N	283.349	1.122	10	20	CDCD	
OCCOCCCN[C@@H]1CCc2cccc(O)c21	296273064	CIDGNUGTACHXTB-GFCCVEGCSA-N	251.326	1.368	10	20	CDCD	
CS(=O)(=O)[C@H]1CCCN(Cc2ccccc2O)C1	311007318	WNXXEYQPMRDWBS-LBPRGKRZSA-N	269.366	1.401	10	20	CDCD	
Nc1ccc(CNC(=O)c2cnn(C3CC3)c2)cc1	859593658	HBGOFGDZSDFSON-UHFFFAOYSA-N	256.309	1.730	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N2CCC2)cc1F	57647871	AYOCXLHCNROTEP-UHFFFAOYSA-N	251.305	1.807	10	20	CDCD	
CC[C@H]1C(=O)NCCN1Cc1cc(C)c(C)cc1O	106855807	MVEUZSLZGACVSS-ZDUSSCGKSA-N	262.353	1.719	10	20	CDCD	
COCCC(=O)NCc1ccc(N2CCSCC2)cc1	171384068	LEOGEYWHYBXLRJ-UHFFFAOYSA-N	294.420	1.893	10	20	CDCD	
Nc1ccc(NC(=O)C[C@@H]2CCS(=O)(=O)C2)cc1	63063448	GETHWFPHMTZHCB-VIFPVBQESA-N	268.338	1.032	10	20	CDCD	
COC(=O)COc1ccc(N(C)Cc2cncn2C)cc1	183812712	RIHZBQBRXMKHCB-UHFFFAOYSA-N	289.335	1.608	10	20	CDCD	
COC[C@@H]1CN(Cc2cc(C)ccc2O)C[C@@H](C)O1	188380558	LEDIYIZOYMLEKS-OCCSQVGLSA-N	265.353	1.936	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccnn1C	183459480	UYQQNSJVDFTFPK-SECBINFHSA-N	275.308	1.192	10	20	CDCD	
OCC1CCN(Cc2cc3c(cc2O)OCO3)CC1	127090281	YPJKDYSCIBHNCB-UHFFFAOYSA-N	265.309	1.325	10	20	CDCD	
COc1cccc(CNC[C@@H]2CC[C@@H](O)C2)c1O	188803127	KBZISXDMIGMWOM-ZYHUDNBSSA-N	251.326	1.651	10	20	CDCD	
CC[C@@H](C)[C@@H](O)CNC(=O)/C=C/c1ccc(O)c(O)c1	180867564	YJODNCOBEIKBLH-SSXGSKAJSA-N	279.336	1.634	10	20	CDCD	
C[C@H](N[C@H](C)CN1CCN(C)CC1)c1ccccc1O	183502141	ZRRCKCFTMZFBOC-KGLIPLIRSA-N	277.412	1.679	10	20	CDCD	
COCC(C)(C)CNC(=O)c1cccc(O)c1O	293813324	ULNADDVJLMIBOW-UHFFFAOYSA-N	253.298	1.500	10	20	CDCD	
CCNC(=O)CC(=O)N1CCOc2cc(N(C)C)ccc21	332665783	FSPKUQDDYRXOCW-UHFFFAOYSA-N	291.351	1.004	10	20	CDCD	
CCNC(=O)C1(CNCc2cc(OC)ccc2O)CCC1	277103881	HIWHQXOHBVHBII-UHFFFAOYSA-N	292.379	1.797	10	20	CDCD	
C[C@H](N[C@H](CO)c1cnn(C)c1)c1ccccc1O	272818272	FJGPBZRYVXKKNR-GXFFZTMASA-N	261.325	1.510	10	20	CDCD	
COC(=O)C[C@@H](C)CC(=O)NCCc1ccc(O)c(O)c1	289738597	IHKYTFATQXNNHI-JTQLQIEISA-N	295.335	1.346	10	20	CDCD	
COC(C)(C)CC(=O)N[C@H](C)Cc1ccc(O)c(O)c1	280274489	OVANTDFPKXGARS-SNVBAGLBSA-N	281.352	1.960	10	20	CDCD	
COCC[C@H](CO)N[C@@H](C)c1cc(C(=O)OC)ccc1O	281484345	FYMOYFMIEVQCHY-CMPLNLGQSA-N	297.351	1.227	10	20	CDCD	
CN(C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)C1CC1	807292021	SBIWJJXKZYBRNG-UHFFFAOYSA-N	299.374	1.300	10	20	CDCD	
CCOCC[C@H](O)CNCc1ccc(N(C)C)cc1	818942329	YZXSFKVCOAWYJI-HNNXBMFYSA-N	266.385	1.630	10	20	CDCD	
NC(=O)CC1(CNCc2c(O)ccc(Cl)c2F)CC1	817411660	XCWWTMYDQRPSCP-UHFFFAOYSA-N	286.734	1.930	10	20	CDCD	
O=C(c1c(F)ccc(O)c1O)N1CCOCC2(CCC2)C1	828456134	WHIPNGHBOQXSFE-UHFFFAOYSA-N	295.310	1.880	10	20	CDCD	
COc1cccc(CNC(=O)c2c[nH]cc2C)c1O	729859463	QZKKBWRFGDMXGB-UHFFFAOYSA-N	260.293	1.967	10	20	CDCD	
COc1ccc(O)c(CN2C[C@@H]3[C@H]4C=C[C@@H](O4)[C@H]3C2)c1	824838225	MDZMVODNZZIBIB-WMHQRMGPSA-N	273.332	1.786	10	20	CDCD	
CO[C@@H]1COCC[C@@H]1CNCc1ccc2c(c1)CCO2	824709944	TUNJIXXLECZYLC-GDBMZVCRSA-N	277.364	1.763	10	20	CDCD	
O=C(NCc1ccccc1O)Nc1nc2n(n1)CCCC2	836777388	YHLRDIJRPMFVBL-UHFFFAOYSA-N	287.323	1.642	10	20	CDCD	
CCc1ccc(C=C2C(=O)N(C)C(=O)N(C)C2=O)s1	731155671	ONRXQHUMSMQKLD-UHFFFAOYSA-N	278.333	1.744	10	20	CDCD	
CN(C)c1ccc(CNC(=O)C(C)(C)NC(=O)O)cc1	737378719	UYFVMUZCQVZPGK-UHFFFAOYSA-N	279.340	1.415	10	20	CDCD	
CC(=O)C[C@H]1COCCN1C(=O)c1cc(O)cs1	831991276	JCGOGKFULKMHKR-VIFPVBQESA-N	269.322	1.274	10	20	CDCD	
CO[C@H]1C[C@H](NC(=O)c2c(F)ccc(O)c2O)C12CCC2	839800581	WTIZMFWKQCQXKK-QWRGUYRKSA-N	295.310	1.924	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N1CC[C@@H](CF)C1	916113361	LMNPZXVFOAFZHK-MORRKMRCSA-N	265.284	1.929	10	20	CDCD	
COc1ccc(N(C)CCN(C)C(=O)[C@H](C)C(=O)O)cc1	846715984	IVKMWCVQDDFFSK-NSHDSACASA-N	294.351	1.311	10	20	CDCD	
C[C@@]1(CN)CCN(Cc2ccc(N3CCOCC3)cc2)C1	843115105	GURSAZSUOSNQBI-KRWDZBQOSA-N	289.423	1.694	10	20	CDCD	
CCN(C)C(=O)CNCc1ccc(N(C)C)cc1C	840938592	PEYATTWHCXFLCE-UHFFFAOYSA-N	263.385	1.629	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)COC[C@H]1CCCO1	746393378	GOSZTWBIIVJCPE-CYBMUJFWSA-N	279.336	1.546	10	20	CDCD	
CCN(CC(=O)NC)Cc1ccc(N(C)C)cc1C	840911242	YRZGHUIYGJHTLQ-UHFFFAOYSA-N	263.385	1.629	10	20	CDCD	
COCCN(C)CCN[C@H](C)c1cccc(OC)c1O	846145922	OUHQTTVGKPDBQE-GFCCVEGCSA-N	282.384	1.630	10	20	CDCD	
CCOc1ccc(O)c(CNC[C@@]2(COC)CCCN2)c1	841067261	MBOWNEPWQFMRQQ-MRXNPFEDSA-N	294.395	1.649	10	20	CDCD	
Oc1ccccc1CN1CCNC[C@H]1c1ccncc1	843120903	XQQVXWMIZXPJQP-HNNXBMFYSA-N	269.348	1.934	10	20	CDCD	
COc1cc(O)c(CN2CC[C@H]([C@@H](C)N)C2)cc1OC	843057188	GMMRDZCNQKGAGY-MNOVXSKESA-N	280.368	1.579	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)N[C@@H](CCO)C2CC2)c1	756739424	NIQHRUWJZGHJDX-YGRLFVJLSA-N	293.363	1.990	10	20	CDCD	
C[C@@H](N[C@@H]1COC[C@@H]1O)c1cc(F)cc(F)c1O	866420590	QAOFIPSHAHVJFA-PFZYVWIYSA-N	259.252	1.081	10	20	CDCD	
CC(=O)c1cc(F)cc(CN[C@@H]2C(=O)NCC2(C)C)c1O	931660815	SXHGLQWNDRGJCC-CYBMUJFWSA-N	294.326	1.348	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCNC(C)(C)C	935312035	VHMSQGQMNWQTKB-NSHDSACASA-N	294.395	1.923	10	20	CDCD	
COc1cccc(CNCc2nnnn2CC2CC2)c1O	769932640	GXZHBVLZQDBSFT-UHFFFAOYSA-N	289.339	1.087	10	20	CDCD	
COc1cccc(CN(C)CC2(C)COC2)c1O	862477917	URAYCEJFWCASGP-UHFFFAOYSA-N	251.326	1.869	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CCc2cnn[nH]2)cc1	864574492	BCCPGTMGTZWRKO-UHFFFAOYSA-N	273.340	1.120	10	20	CDCD	
CN(Cc1cc(Cl)c(F)cc1O)[C@]1(CO)CCOC1	862427960	JJCWJJGGALSDRY-ZDUSSCGKSA-N	289.734	1.768	10	20	CDCD	
CNC(=O)[C@H]1CCC[C@H]1NC(=O)NCc1ccccc1O	765782301	NINKJBFHZAVWDF-NWDGAFQWSA-N	291.351	1.106	10	20	CDCD	
CCOc1ccc(CN(CCOC)CCOC)c(O)c1	768142028	BXDMHUHPCMMBFS-UHFFFAOYSA-N	283.368	1.886	10	20	CDCD	
COC1CN(Cc2ccc(N3CCC(O)CC3)cc2)C1	877580781	YJTSFVPEKUURHF-UHFFFAOYSA-N	276.380	1.478	10	20	CDCD	
CCS(=O)(=O)C1CN(Cc2ccc(C)cc2O)C1	877568933	FNZXNSGTQPCDQU-UHFFFAOYSA-N	269.366	1.320	10	20	CDCD	
CC[C@H](CO)C(=O)NCc1ccc(N(C)C)cc1C	779778897	RSOFEPKFIHOYQC-GFCCVEGCSA-N	264.369	1.696	10	20	CDCD	
C[C@H](NCc1ccc(N)cc1)[C@H](C)N1CCOCC1	1120370616	CFFVSAZCTTZCRI-STQMWFEESA-N	263.385	1.468	10	20	CDCD	
Cc1ccc(C(=O)N2CCC[C@H]2C2OCCO2)c(O)c1O	888437971	TWXXZNHHOYSUDE-NSHDSACASA-N	293.319	1.384	10	20	CDCD	
C[C@H](NCC1(CO)CCOCC1)c1c(O)cccc1F	886553758	VBEPPBFENXGWMP-NSHDSACASA-N	283.343	1.971	10	20	CDCD	
COc1ccc(CNCCNC(=O)c2ncc[nH]2)cc1C	1126810479	GWEHMYIPJCMZCH-UHFFFAOYSA-N	288.351	1.246	10	20	CDCD	
COc1ccc(CNC2([C@H](C)O)CC2)c(O)c1OC	895442741	PYHWINIGDSTESS-VIFPVBQESA-N	267.325	1.412	10	20	CDCD	
Cc1cccc(CN2CCC3(CC2)CNC(=O)O3)c1O	783723997	SIYXMMRVIXVZEY-UHFFFAOYSA-N	276.336	1.775	10	20	CDCD	
Oc1c(Br)cccc1CNC[C@H]1COCO1	894873028	MEYFUTFZYGNBRC-VIFPVBQESA-N	288.141	1.617	10	20	CDCD	
C/C(=C\C(=O)N1CCCc2c(O)ncnc21)c1cnccn1	893204191	FXRZOOTYUSXCAI-JXMROGBWSA-N	297.318	1.355	10	20	CDCD	
COc1ccc(CN2CC[C@H]([C@@H](C)O)C2)c(O)c1OC	893472327	QHGOCLLDTNMHEM-MNOVXSKESA-N	281.352	1.612	10	20	CDCD	
Cc1c[nH]c(CC(N)=O)c1C(=O)N1CCc2ccccc21	899923667	KZIZJOIODYVCGE-UHFFFAOYSA-N	283.331	1.554	10	20	CDCD	
CC(=O)Nc1nc(C(=O)NCc2ccccc2O)cs1	701130293	PNNJOTHHRWLZEV-UHFFFAOYSA-N	291.332	1.737	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2Cc1ccn(C)n1	272003129	INBUELXESHQHSE-UHFFFAOYSA-N	272.352	1.885	10	20	CDCD	
CNC(=O)C1CN(Cc2ccc(N3CCCC3)cc2)C1	1324991261	BUROLOMNNCJQAB-UHFFFAOYSA-N	273.380	1.465	10	20	CDCD	
O=C(O)[C@@H](Cc1cc[nH]n1)NCc1ccc2c(c1)CCO2	1334408807	WOORJVUNBWAUSY-CYBMUJFWSA-N	287.319	1.130	10	20	CDCD	
COc1ccc(O)c(CNCc2c(O)nnc(C)c2C)c1	1254183925	GSXMWWBZLJDKOM-UHFFFAOYSA-N	289.335	1.803	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](N)C(C)(C)O	1340319859	NWAUDCLRRUPHAG-CQSZACIVSA-N	293.411	1.199	10	20	CDCD	
O=C(O)[C@@H](Cc1cncs1)NCc1ccccc1O	1601661455	FKUDXGDCQHXSON-LLVKDONJSA-N	278.333	1.634	10	20	CDCD	
Cn1ccc([C@@H](NCc2ccccc2O)C(=O)O)n1	1610610289	UQBYXFFARTVXIB-GFCCVEGCSA-N	261.281	1.041	10	20	CDCD	
CC(C)OC(C)(C)C(=O)NCc1cccc(O)c1O	1548791518	IPILIGQQAJBSFA-UHFFFAOYSA-N	267.325	1.918	10	20	CDCD	
CN1CCC[C@@H]1c1cc(C(=O)Oc2ccc(N)cc2)n[nH]1	1578529059	PSXZPMXPONVTHN-CQSZACIVSA-N	286.335	1.978	10	20	CDCD	
Oc1ccc(Cl)c(F)c1CN1CCC12CNC2	1580888616	RWHPNVGIAIORGH-UHFFFAOYSA-N	256.708	1.732	10	20	CDCD	
CN(C)c1ccc(CN2C[C@H](O)C[C@@H](C(=O)O)C2)cc1F	1598317733	KQTPAIXFPKWNIZ-VXGBXAGGSA-N	296.342	1.159	10	20	CDCD	
COCCC[C@@H](NCc1cc([N+](=O)[O-])ccc1O)C(=O)O	1777203689	XBUCSAFTSBDVLJ-LLVKDONJSA-N	298.295	1.270	10	20	CDCD	
CO[C@H](CNCc1ccc(N2CCCCC2)cc1)C(=O)O	1777148317	ZUVAFHJOOYAOOH-OAHLLOKOSA-N	292.379	1.866	10	20	CDCD	
CN(C)c1ccc(CN[C@@H](C[C@H]2CCOC2)C(=O)O)cc1	1777039531	ARMFIMGXFXAGNQ-HIFRSBDPSA-N	292.379	1.722	10	20	CDCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NC[C@@]1(O)CCOC1	230669443	WZHLHSKQORVMIY-WQGACYEGSA-N	277.364	1.990	10	20	CDCD	
O=C(NCc1ccccc1O)c1cnn2ccncc12	231907865	QBQLMSQESLZWHX-UHFFFAOYSA-N	268.276	1.365	10	20	CDCD	
CN1CCC[C@@H](CNCc2cc3c(cc2O)OCO3)C1	44532668	JZKGXGUXBNEEEA-NSHDSACASA-N	278.352	1.552	10	20	CDCD	
CC(C)[C@@H](O)CNCc1cc2c(cc1O)OCO2	116349593	ROAMIVGINLILLP-NSHDSACASA-N	253.298	1.227	10	20	CDCD	
COc1ccc(N(C)Cc2nnnn2C2CC2)cc1F	121741887	JGHDSHJSOCPHPM-UHFFFAOYSA-N	277.303	1.792	10	20	CDCD	
COC1(CNC(=O)/C=C/c2ccc(O)c(O)c2)CCC1	183023848	UDIWOIPYCNZYKY-GQCTYLIASA-N	277.320	1.796	10	20	CDCD	
C[C@H](N)[C@H](C)C(=O)NCc1ccc2c(c1)CCCN2C	192104554	NAJNSQABSQZCKM-RYUDHWBXSA-N	275.396	1.669	10	20	CDCD	
CCOc1cccc(CN2CCCC[C@H]2C(=O)NC)c1O	133054354	PBSFOVKNXXCWKE-ZDUSSCGKSA-N	292.379	1.891	10	20	CDCD	
Cc1ccc(O)c(CN2CCOC[C@]23CCOC3)c1	195008996	AQWFRIXSZBEZGB-OAHLLOKOSA-N	263.337	1.692	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2c(C)ccn2C)c1	190200305	VLPISCIGMBANAI-UHFFFAOYSA-N	274.320	1.978	10	20	CDCD	
C[C@H](N)CCC(=O)NCc1ccc(N(C)C)c(F)c1	193306264	FARHOVIUAXMKJO-JTQLQIEISA-N	267.348	1.635	10	20	CDCD	
CN(C)c1ccc(CN(C)C2(C(N)=O)CCCC2)cc1	193452122	NKDDAYXOTMHZBF-UHFFFAOYSA-N	275.396	1.983	10	20	CDCD	
CC(C)(C)OC(=O)NCCC(=O)NCc1ccccc1O	299545850	KESCUGPKXZYOJZ-UHFFFAOYSA-N	294.351	1.923	10	20	CDCD	
Cc1ccc(C(=O)NO[C@H]2CCCCO2)c(O)c1O	267608068	QTXKDXWOWSSSSM-JTQLQIEISA-N	267.281	1.594	10	20	CDCD	
C[C@@H](NC(=O)NCc1ccc(N(C)C)cc1)[C@H]1CCOC1	266484518	CJYIHCKXIOTKAW-OCCSQVGLSA-N	291.395	1.977	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)NCCC(C)(C)O)c1	274793834	OVCLDLQFELUMTB-SNVBAGLBSA-N	281.352	1.990	10	20	CDCD	
COC(=O)C[C@H](C)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	274926567	MLPGFVQPYRVPQJ-UWVGGRQHSA-N	295.335	1.344	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CC(O)(c2ccccc2)C1	377124400	XYCKWKKFGZXPBF-UHFFFAOYSA-N	285.299	1.441	10	20	CDCD	
CCN(C)C(=O)CSc1ncc(C(=O)OC)s1	295159694	GQYSZNKRGHIPDD-UHFFFAOYSA-N	274.367	1.500	10	20	CDCD	
COc1cccc(CNCc2cc(C(N)=O)cs2)c1O	809739242	BZJMNXOBQNJXHH-UHFFFAOYSA-N	292.360	1.851	10	20	CDCD	
Cc1cc(O)c(CN2CCN3CCOC[C@@H]3C2)cc1Cl	825505458	ZFOCIBGPBUDVSR-ZDUSSCGKSA-N	296.798	1.870	10	20	CDCD	
CN(CC(=O)NCCc1ccc(O)c(O)c1)CC(C)(C)C	821061850	YPAUHMGKYSDTDY-UHFFFAOYSA-N	294.395	1.734	10	20	CDCD	
COc1ccc(O)c(CN2CC[C@@H](N3CCOC3=O)C2)c1	827000001	GBDXVGYHLIJQPI-GFCCVEGCSA-N	292.335	1.427	10	20	CDCD	
C/C(=C/C(=O)N1CCN(C)c2ncccc21)c1cnccn1	826890076	GMYKOERUHPSANI-BENRWUELSA-N	295.346	1.758	10	20	CDCD	
COc1ccc(O)c(CN2CCCN(C=O)CC2)c1	827872238	RLZHGBYDMIUUII-UHFFFAOYSA-N	264.325	1.065	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H]2CCC[C@@H]2CO)c1O	825189047	WTRWNHOICXZYRL-GHMZBOCLSA-N	296.323	1.560	10	20	CDCD	
O=C(NCCCOC(F)F)c1c(F)ccc(O)c1O	831399158	YUIOLWASPGNUNP-UHFFFAOYSA-N	279.214	1.596	10	20	CDCD	
O=C(O)C[C@@H]1CCCN1C(=O)c1cc(O)cs1	833212378	XHJRIBIUYXJGSF-ZETCQYMHSA-N	255.295	1.533	10	20	CDCD	
COc1ccc(O)c(CNC(=O)Nc2nc(C)no2)c1	836494393	RKGPGWVFZXBIBS-UHFFFAOYSA-N	278.268	1.414	10	20	CDCD	
CO[C@H](C1CC1)[C@H](C)NC(=O)c1c(F)ccc(O)c1O	839787688	RSKKQGHICWNCTO-CPFSXVBKSA-N	283.299	1.780	10	20	CDCD	
COc1cccc(O)c1CN[C@H]1CC[C@H](CN)C1	841085322	ZHVSJUFVFZOOCH-QWRGUYRKSA-N	250.342	1.618	10	20	CDCD	
Cc1nonc1CC(=O)NCc1ccc(N(C)C)cc1	845100888	FFSIXPYCZQFJKL-UHFFFAOYSA-N	274.324	1.303	10	20	CDCD	
Nc1ccc(CCNC(=O)CCc2ccon2)cc1	911782185	DLYHNIDNNGWJIC-UHFFFAOYSA-N	259.309	1.548	10	20	CDCD	
COCC1(CNCc2cc(C)ccc2O)CCNCC1	841068614	SWZKVJYKGSRUHY-UHFFFAOYSA-N	278.396	1.806	10	20	CDCD	
COc1ccc(N(C)C[C@H](O)COC2CCOCC2)cc1	844353161	PQFSDPGOQITBSB-AWEZNQCLSA-N	295.379	1.688	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN[C@@H](C)CN1CCOCC1	840929302	BRAPIGCWHQSAHJ-HNNXBMFYSA-N	291.439	1.871	10	20	CDCD	
CCN1CCC[C@@H]1CNC(=O)NCc1cc(C)ccc1O	858120774	LZMPRYXIWYQSQO-CQSZACIVSA-N	291.395	1.984	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NCCC2(O)CCC2)c1	858438898	UBJVSJAZVAFAIG-UHFFFAOYSA-N	278.352	1.805	10	20	CDCD	
C[C@H](NCCN1CC[C@H](O)C1)c1ccc(Cl)cc1O	858606126	ICHXAOXHVZQDCR-JQWIXIFHSA-N	284.787	1.763	10	20	CDCD	
C[C@H]1C[C@H](NCCOCCO)c2c(O)ccc(F)c21	756360810	DZJQJJDRAAUMPI-ONGXEEELSA-N	269.316	1.678	10	20	CDCD	
C[C@H]1COCCN(Cc2cc3c(cc2O)OC[C@H]3O)C1	768465948	UEPULPRSCUDMFS-QMTHXVAHSA-N	279.336	1.286	10	20	CDCD	
Cn1cnc(/C=C\C(=O)N2CCOCc3ccccc32)c1	935736934	HWSITFPPEMJKKF-SREVYHEPSA-N	283.331	1.997	10	20	CDCD	
CCC1(C(=O)NCCc2ccc(O)c(O)c2)COC1	762275539	TWYUVASWBWRVFW-UHFFFAOYSA-N	265.309	1.183	10	20	CDCD	
CNC(=O)[C@H]1CCC[C@@H]1NCc1ccc2c(c1)CCO2	765797069	PJFNSSOZOYUJNX-KBPBESRZSA-N	274.364	1.626	10	20	CDCD	
COc1ccc(CN[C@@H]2CCCNC(=O)C2)c(O)c1	877494387	VRMDMRJVQUVYDE-LLVKDONJSA-N	264.325	1.159	10	20	CDCD	
COc1cccc(O)c1CNc1ccc(-n2cnnn2)cc1	770422070	CMLUUEONGXKYBI-UHFFFAOYSA-N	297.318	1.989	10	20	CDCD	
CN(C(=O)CNC(=O)CC(C)(C)C)c1ccc(N)cc1	877078203	HXWHJXPKQQLAEN-UHFFFAOYSA-N	277.368	1.784	10	20	CDCD	
CCN(CC1CC1)S(=O)(=O)NCc1cc(C)ccc1O	1118877143	AZRWGXSMFHXROH-UHFFFAOYSA-N	298.408	1.767	10	20	CDCD	
CC1=NO[C@@H](CNC(=O)N(C)Cc2ccccc2O)C1	875978133	KPHNDZOYFLCLQC-GFCCVEGCSA-N	277.324	1.698	10	20	CDCD	
CC(=O)c1cc(F)cc(CN[C@H](CCO)C2CC2)c1O	771799485	ANALGJGBPIFBIG-CQSZACIVSA-N	281.327	1.985	10	20	CDCD	
CCn1nc(C)c(CNCc2cc(F)cc(F)c2O)n1	883150093	UYWSKBRDNWUAGU-UHFFFAOYSA-N	282.294	1.880	10	20	CDCD	
C[C@H](N[C@H](C)C[S@](C)=O)c1c(O)cccc1F	886587789	FOAIUODHLJDSRU-NMIRZEMHSA-N	259.346	1.949	10	20	CDCD	
COC(=O)[C@H]1CCN(Cc2cc(F)ccc2O)[C@H]1C	787422026	XSOPCUOZIJXTHP-CABZTGNLSA-N	267.300	1.915	10	20	CDCD	
COc1ccc(CNCCC[C@@H](C)CO)c(O)c1OC	893266058	YJQSCJNXTVOJQY-LLVKDONJSA-N	283.368	1.908	10	20	CDCD	
CCNC(=O)[C@@H](C)NCc1cc(C)cc(OC)c1O	894380820	AFZZRGPLKIWUOV-SNVBAGLBSA-N	266.341	1.323	10	20	CDCD	
COC(=O)N1CCCN(Cc2cc(F)ccc2O)CC1	1140057800	MYYVFNIXBDPYJC-UHFFFAOYSA-N	282.315	1.805	10	20	CDCD	
CNC(=O)CCN[C@H](C)c1cc(OC)ccc1O	44988135	AYQSROSFANPBOX-SECBINFHSA-N	252.314	1.188	10	20	CDCD	
CNC(=O)C1CCN(Cc2cc(C)ccc2O)CC1	133335111	AGLWHVPZEXOCNW-UHFFFAOYSA-N	262.353	1.659	10	20	CDCD	
CCOc1cccc(CN2CCC[C@@H]2C(=O)O)c1O	77253447	JMZQDDMOMZKCOB-LLVKDONJSA-N	265.309	1.840	10	20	CDCD	
CCOC(=O)c1cc(CN(C)Cc2ccccc2O)[nH]n1	1237037400	HSDGFJVBFOKIIY-UHFFFAOYSA-N	289.335	1.924	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCS[C@H]2COCC[C@@H]21	275078669	DBRSQXKEYPQYFC-JQWIXIFHSA-N	295.360	1.444	10	20	CDCD	
CCc1cccc(CN[C@@H]2CC(=O)N(CC)C2)c1O	691444355	IKYZJFWCDDUEGR-CYBMUJFWSA-N	262.353	1.665	10	20	CDCD	
CON(C)C(=O)[C@H](C)NCc1ccc(N2CCCC2)cc1	1328717700	WKPGWUCSEBWKLC-ZDUSSCGKSA-N	291.395	1.785	10	20	CDCD	
COCCN(C)CCN[C@@H](C)c1cc(OC)ccc1O	61375287	GLLJJOHUPKNUFQ-LBPRGKRZSA-N	282.384	1.630	10	20	CDCD	
C[C@@H](CNCc1ccc(N2CCCC2)cc1)S(C)(=O)=O	697587164	DYJFFSXRLMHOID-ZDUSSCGKSA-N	296.436	1.810	10	20	CDCD	
Cc1cccc(NCCNC(=O)NCc2ccc(N)cc2)n1	1336211259	QJGPAZAVXVXUHA-UHFFFAOYSA-N	299.378	1.884	10	20	CDCD	
C[C@@H](NC(=O)NCc1ccc(N(C)C)cc1)C(=O)O	780350728	SACCBMSFSCVYSB-SECBINFHSA-N	265.313	1.025	10	20	CDCD	
C[C@@H](N)[C@@H]1CCN(C(=O)NCc2ccc(N)cc2)C1	1338793759	UVOUVBWIVOCEDP-ZYHUDNBSSA-N	262.357	1.148	10	20	CDCD	
Oc1cc2c(cc1CN1C[C@H]3CC[C@H]1[C@H](O)C3)[C@H](O)CO2	1333848086	VWDVCPDFMGURGS-JQWOWJDXSA-N	291.347	1.163	10	20	CDCD	
CNC[C@@H](C)CNC(=O)N(C)Cc1ccccc1O	1261376838	ZPSZUAMLYPHHDM-LLVKDONJSA-N	265.357	1.389	10	20	CDCD	
O=C(O)[C@@]1(F)CCN(Cc2ccc(F)c(F)c2O)C1	1601717025	MROAGHSVUGUUTR-GFCCVEGCSA-N	275.226	1.669	10	20	CDCD	
CC(C)[C@H](CNC(=O)Cc1ccc(O)c(O)c1)C(=O)O	1588821623	QBWVTPCLHVCZLH-JTQLQIEISA-N	281.308	1.113	10	20	CDCD	
CC(C)(C)[C@@H](C(=O)O)C(=O)N1Cc2cccc(O)c2C1	1588635453	KJHUYSAPRWMTJW-GFCCVEGCSA-N	277.320	1.981	10	20	CDCD	
Cn1ccc(CCNCc2cc3c(cc2O)OCO3)n1	230882124	CHFNHIIIKCGGBT-UHFFFAOYSA-N	275.308	1.187	10	20	CDCD	
C[C@H](NC[C@H](O)CN(C)C)c1ccc(N(C)C)cc1	305109983	FKRTVJBWPYNDQB-WFASDCNBSA-N	265.401	1.326	10	20	CDCD	
CCOc1cccc(CN2C[C@H](C)N[C@@H](C)C2)c1O	70075482	KZHQYOIZQRWTFZ-RYUDHWBXSA-N	264.369	1.973	10	20	CDCD	
COc1cccc(CN2CC[C@H]3NCC[C@@H]3C2)c1O	311701301	MAJHWMPXYDRVRI-DGCLKSJQSA-N	262.353	1.585	10	20	CDCD	
CC[S@](=O)CCNCc1cc(F)cc(F)c1O	708495370	WKKATXYQRKTLKI-KRWDZBQOSA-N	263.309	1.529	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NCc2cnn(C)n2)c1	389833989	CFRAYIBVWHYFGY-SECBINFHSA-N	262.313	1.380	10	20	CDCD	
CCN1C[C@H](N[C@@H](C)c2cc(C)ccc2O)CC1=O	391497417	TVXQAEDGUVLCLY-NWDGAFQWSA-N	262.353	1.972	10	20	CDCD	
CON(C)C(=O)/C=C/c1ccc(N2CCOCC2)cc1	108770986	XQKUUUPAYIBCMI-VMPITWQZSA-N	276.336	1.556	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2ncccc2O)c1	104900920	BRVZTRSUXILNHS-SECBINFHSA-N	288.303	1.992	10	20	CDCD	
CCOc1cccc(CN(CC)[C@H]2CCNC2=O)c1O	281895810	YQFWKAXMDAXICL-LBPRGKRZSA-N	278.352	1.501	10	20	CDCD	
Cc1ccc([C@H](C)NCCS(C)(=O)=O)c(O)c1	37740603	NPZPWHOIGZLOFH-JTQLQIEISA-N	257.355	1.396	10	20	CDCD	
COc1ccc(N2CCN(C(=O)CNC(C)C)CC2)cc1	37385963	WIYRFWMBNNRUMJ-UHFFFAOYSA-N	291.395	1.342	10	20	CDCD	
CNC(=O)[C@H](C)CN(C)Cc1cc(OC)c(OC)cc1O	180681589	GGIJNZSLPLNXPL-SNVBAGLBSA-N	296.367	1.223	10	20	CDCD	
C[C@H]1CO[C@H](C)CN1C(=O)/C=C/c1ccc(O)c(O)c1	180916343	QCQIRGCVIUUSCS-XDFYEUQUSA-N	277.320	1.747	10	20	CDCD	
CCOC(=O)[C@@H](C)N1CCOc2cc(N(C)C)ccc21	130411888	AQNJKVFNQRDVDV-LLVKDONJSA-N	278.352	1.903	10	20	CDCD	
Cc1cccc([C@H](O)CNC(=O)c2cccc(O)c2O)c1	193138294	VSCFBACPWYPPQJ-CQSZACIVSA-N	287.315	1.870	10	20	CDCD	
Cc1ccc(O)c(CNC2(CO)CCOCC2)c1	227213645	AGXYMKSSLYNPEC-UHFFFAOYSA-N	251.326	1.332	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NCc2nnc(C)o2)c1	182426699	RANDWQVYJGFMJP-MRVPVSSYSA-N	263.297	1.943	10	20	CDCD	
CC[C@H](NC[C@H](O)COC)c1ccc(N(C)C)cc1	268893247	KDEIRAZHYGVFTL-GJZGRUSLSA-N	266.385	1.801	10	20	CDCD	
C[C@H]1C[C@@H](C(=O)NCc2ccc(O)c(O)c2)CCO1	272199989	AKVROFQGSUJOGR-ONGXEEELSA-N	265.309	1.529	10	20	CDCD	
CC(C)[C@H]1NC(=O)N(Cc2ccc(N(C)C)cc2)C1=O	272040767	GFBCTPNTWPDNNA-CYBMUJFWSA-N	275.352	1.829	10	20	CDCD	
Cn1ccnc1[C@H]1OCC[C@@H]1NCc1ccccc1O	275486460	ISUJZJGFDIXIOC-JSGCOSHPSA-N	273.336	1.746	10	20	CDCD	
COc1cccc(CNC(=O)N[C@@H]2CCO[C@H](C)C2)c1O	271275090	KQJIYDWSQRLVDZ-ZYHUDNBSSA-N	294.351	1.768	10	20	CDCD	
OCCN(Cc1cc(F)ccc1O)C1CCOCC1	276037089	SDSAXGJHVOTNRW-UHFFFAOYSA-N	269.316	1.505	10	20	CDCD	
Oc1ccc(F)cc1CN1CC([C@H]2CCOC2)C1	373468296	UXNSLGIAMBHSHE-JTQLQIEISA-N	251.301	2.000	10	20	CDCD	
CCCCN(Cc1ccccc1O)C(=O)c1nc[nH]n1	282493023	MRLYFPHKKQGLFD-UHFFFAOYSA-N	274.324	1.953	10	20	CDCD	
Cn1ncc2c1C[C@@H](C(=O)NCc1ccccc1O)CC2	282821190	RSKXJWWKAQMYLG-NSHDSACASA-N	285.347	1.547	10	20	CDCD	
CCCN[C@@H](C)C(=O)N1CCOc2cc(N(C)C)ccc21	295022849	CKRINUHHAIGAHH-LBPRGKRZSA-N	291.395	1.866	10	20	CDCD	
C[C@@H]1C[C@H](NC[C@@H](N)c2ccc(N(C)C)cc2)[C@@H](C)O1	817943296	UCWRQSWAMTWZDC-BHTHQVBYSA-N	277.412	1.908	10	20	CDCD	
COc1cccc(CN[C@H](C)Cn2cncn2)c1O	725849156	JFSOWZDGRCSWJL-SNVBAGLBSA-N	262.313	1.171	10	20	CDCD	
CC(C)NCC(=O)N1CCOc2cc(N(C)C)ccc21	580726194	KRLNSBCGUCDZKM-UHFFFAOYSA-N	277.368	1.476	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@@H]2[C@H]3CCC(=O)[C@H]32)c1	913000721	SSZPTLCPFJWBMK-LEWSCRJBSA-N	259.305	1.542	10	20	CDCD	
CCN1C[C@@H](CNCc2ccc(N(C)C)cc2)CC1=O	846092340	CPLXZTMZHFFQRH-CQSZACIVSA-N	275.396	1.711	10	20	CDCD	
CCc1cccc(CN2CC[C@@](CO)(COC)C2)c1O	848915564	XSMWGOMVENTHMF-MRXNPFEDSA-N	279.380	1.785	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CCNC[C@H]2C)c1O	843347803	OFOAUKRHSROBPO-SECBINFHSA-N	266.316	1.528	10	20	CDCD	
CCOc1cccc(CN[C@H](CN)C2CC2)c1O	841028078	LEQLYLLCJKERJT-GFCCVEGCSA-N	250.342	1.618	10	20	CDCD	
C[C@@H](CN)CNCc1cccc(Br)c1O	841049226	OMWVXEQKJIYVQY-QMMMGPOBSA-N	273.174	1.839	10	20	CDCD	
COc1cc(O)c(CN[C@H](C)C[C@H](C)N)cc1OC	843129905	TXNWOVDXNAOZIZ-VHSXEESVSA-N	268.357	1.625	10	20	CDCD	
C[C@@H](NC(=O)NCCc1ccc(N)cc1)c1cnn(C)c1	841834370	PNJAHVYPTWUIGA-LLVKDONJSA-N	287.367	1.605	10	20	CDCD	
CN1C(=O)CC[C@H]1CC(=O)NCc1cc(Cl)ccc1O	855022562	BSVITACAQHZOLF-NSHDSACASA-N	296.754	1.673	10	20	CDCD	
C[C@@H](NS(=O)(=O)C[C@@H]1CCCO1)c1ccccc1O	867834514	OZWYCDUNRSXVIZ-MNOVXSKESA-N	285.365	1.552	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cnc(C)n1C	935945066	JFBHZBOZRQGVSO-UHFFFAOYSA-N	294.351	1.850	10	20	CDCD	
C[C@@H](NS(=O)(=O)CC[C@H]1CCOC1)c1ccccc1O	867834714	KSMGVOGFCMBDGN-VXGBXAGGSA-N	299.392	1.799	10	20	CDCD	
CCCCN(Cc1ccccc1O)C(=O)Cc1nc[nH]n1	868110081	RYTZTHUDWYTDDG-UHFFFAOYSA-N	288.351	1.882	10	20	CDCD	
COC1CCN(Cc2cc3c(cc2O)OC[C@H]3O)CC1	768442026	NRGZRUMROQBEEP-CQSZACIVSA-N	279.336	1.429	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@]1(C)CCOC1	773769205	QVYSZWBAJBNADT-ZUZCIYMTSA-N	279.336	1.572	10	20	CDCD	
COc1ccc(CNC(=O)c2cnn3ccncc23)c(O)c1	1116887710	WYMAKUPOGPHFFM-UHFFFAOYSA-N	298.302	1.374	10	20	CDCD	
CN(Cc1cc(Cl)cc(F)c1O)CC(C)(CO)CO	775706547	ARISTFADDMWHFM-UHFFFAOYSA-N	291.750	1.607	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)NOC1CCOCC1	775242889	DQRXGJSUYDGXRO-RQOWECAXSA-N	279.292	1.338	10	20	CDCD	
COc1cccc(CNC(=O)Cc2ccncc2)c1O	779675841	LYRISFSEYPJFTP-UHFFFAOYSA-N	272.304	1.655	10	20	CDCD	
Cc1ccc(CNC[C@H](C)S(C)(=O)=O)c(O)c1	877121207	QGEICPCFZWJSIX-JTQLQIEISA-N	257.355	1.223	10	20	CDCD	
Cn1nc(C2CC2)cc1CNC(=O)c1cccc(O)c1O	885827533	GZBFKRCYRVVQRS-UHFFFAOYSA-N	287.319	1.639	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNCCCF)c1O	775035029	XISZBMQZQGRXCA-UHFFFAOYSA-N	258.249	1.758	10	20	CDCD	
CC(C)(C)OCC(=O)OCC(=O)c1ccc(O)c(O)c1	784580679	ARIFDIPFDHLXGB-UHFFFAOYSA-N	282.292	1.639	10	20	CDCD	
Cc1ccc(O)c(NC(=O)c2c(F)ccc(O)c2O)n1	788309046	MPHVCSQIDHNBBO-UHFFFAOYSA-N	278.239	1.898	10	20	CDCD	
OC[C@@]12C[C@@H]1CN(Cc1cc(F)cc(F)c1O)C2	894535467	UCOAGYDVHWYMIJ-RNCFNFMXSA-N	255.264	1.485	10	20	CDCD	
Cc1ccc(CN2CC(N3CCCC3=O)C2)c(O)c1	897785093	UKLPTILWLFAIDF-UHFFFAOYSA-N	260.337	1.507	10	20	CDCD	
C[C@H]1C(=O)N(C)[C@H](C)[C@@H](C)N1Cc1ccccc1O	895923327	WQDSXNUJGWGSAD-UTUOFQBUSA-N	262.353	1.832	10	20	CDCD	
COc1ccc(CN2CCSCC2)c(O)c1OC	891571516	ABQMQYBHXVIYFJ-UHFFFAOYSA-N	269.366	1.958	10	20	CDCD	
COc1ccc(CNC(=O)CC2CCOCC2)c(O)c1	794373066	FZYUWXCVFXWMKQ-UHFFFAOYSA-N	279.336	1.834	10	20	CDCD	
CCO[C@@H]1C[C@H](NCc2cccc(C)c2O)[C@@H]1OC	274847450	AIXZQKBFTZGVBO-GUTXKFCHSA-N	265.353	1.983	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)C12CCCN1CCC2	278826287	JJIKZFQUPGZANB-UHFFFAOYSA-N	274.364	1.979	10	20	CDCD	
C[C@H](NC(=O)c1cccc(O)c1O)[C@@H]1CCCCO1	279753094	CRYOPRWEZOKMKU-CABZTGNLSA-N	265.309	1.785	10	20	CDCD	
Nc1ccc(NC(=O)N2CC(OCC(F)F)C2)cc1	707222534	YCTZKXSPAYXAMT-UHFFFAOYSA-N	271.267	1.767	10	20	CDCD	
CCc1cccc(CNCC[S@@](=O)CC)c1O	691521280	IKOXGDNECKCNCL-KRWDZBQOSA-N	255.383	1.813	10	20	CDCD	
C[C@@]1(C(=O)NCCc2ccc(O)c(O)c2)CCOC1	755535364	ZNMYNRKEQJARRK-CQSZACIVSA-N	265.309	1.183	10	20	CDCD	
C[C@@H]1C(=O)CC[C@H]1CC(=O)NCc1cccc(O)c1O	1348046007	GQIHTEJIRDUEBD-UWVGGRQHSA-N	277.320	1.719	10	20	CDCD	
COc1ccc(O)c(CN2CCC[C@@H]2C(=O)N(C)C)c1	179637440	YWWVCKBMVLNCJZ-CYBMUJFWSA-N	278.352	1.453	10	20	CDCD	
Nc1ccc(CNC(=O)N2CC[C@@]3(CCOC3)C2)cc1	1353539139	IBDIYFPZIFNGFZ-OAHLLOKOSA-N	275.352	1.591	10	20	CDCD	
C[C@H](NCC(=O)NCC1CC1)c1cc(C(=O)O)ccc1O	1604328801	FNYAQDUQALFBBG-VIFPVBQESA-N	292.335	1.267	10	20	CDCD	
COc1cc(N(C)CC(C)=O)cc(OC)c1OC	258941752	QGQMSIMMGABKSJ-UHFFFAOYSA-N	253.298	1.738	10	20	CDCD	
CC(=O)NCCCNCc1c(O)cccc1Cl	113317496	GTCQMAKASYGXHX-UHFFFAOYSA-N	256.733	1.661	10	20	CDCD	
C[C@@H]1OCC[C@H]1NCc1ccc(N2CCOCC2)cc1	120432502	UDOKYSWNIAUGOY-XJKSGUPXSA-N	276.380	1.790	10	20	CDCD	
C[C@@H](CC[S@](C)=O)NCc1cc2c(cc1O)OCO2	125561320	KNYOMDZVZUDCGJ-ZRNGKTOUSA-N	285.365	1.368	10	20	CDCD	
COc1ccc(O)c(CN[C@H]2CCN(C)[C@@H](C)C2)c1	128108614	SVQFGNJHNMQXCD-AAEUAGOBSA-N	264.369	1.973	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CN2CCSCC2)cc1	103468152	ZFRKKCQANHVUMP-UHFFFAOYSA-N	293.436	1.418	10	20	CDCD	
COC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1	62575040	CSHSJMMNAPZWHF-LLVKDONJSA-N	264.325	1.878	10	20	CDCD	
CC(=O)N1CC[C@@H](CN(C)Cc2ccccc2O)C1	179587518	FGNRIJCXRJWWBU-ZDUSSCGKSA-N	262.353	1.692	10	20	CDCD	
CC[C@@H](O)CN(C)c1ccc(OCC(=O)OC)cc1	183811065	FNRHCQAGOWERPC-GFCCVEGCSA-N	267.325	1.446	10	20	CDCD	
C[C@@H]1C[C@@H](NC(=O)Cc2ccc(N)cc2)CN1C1CC1	178866777	FWRLNXAGBWFDNW-BXUZGUMPSA-N	273.380	1.553	10	20	CDCD	
CNC(=O)[C@@H](C)CN(C)Cc1cccc(Cl)c1O	180681912	YNOIJUXTDXMGEU-VIFPVBQESA-N	270.760	1.860	10	20	CDCD	
COC[C@H](CCO)NCc1cccc(Cl)c1O	224846520	FVAAOYQBTFNSFF-JTQLQIEISA-N	259.733	1.533	10	20	CDCD	
COC(=O)[C@@H](NCc1cc(Cl)cc(C)c1O)[C@@H](C)O	191958729	ZXEMBPBUTSMDHW-KCJUWKMLSA-N	287.743	1.366	10	20	CDCD	
Cc1nn(C)c(C)c1OCC(=O)Nc1ccc(N)cc1	237721981	HVJASVMJBJZBTH-UHFFFAOYSA-N	274.324	1.637	10	20	CDCD	
CC(C)C[C@@H](CO)NCc1cc([N+](=O)[O-])ccc1O	236686210	PVGWDQHBJMPGKG-NSHDSACASA-N	268.313	1.797	10	20	CDCD	
CCN(Cc1cc(C)ccc1O)[C@@H]1CCS(=O)(=O)C1	179599227	FEFULHVCZSIICK-CYBMUJFWSA-N	283.393	1.710	10	20	CDCD	
COC[C@H](CN[C@H](C)c1cc(F)ccc1O)OC	230672285	UAXGCNQWTMEHAN-KOLCDFICSA-N	257.305	1.843	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)c1ccc([N+](=O)[O-])[nH]1	383907873	DSRQCAVIQDMPSW-UHFFFAOYSA-N	275.264	1.901	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN(C)CC[C@@H](C)O)c1O	278162041	DSBJFLVTJTVWPU-SECBINFHSA-N	284.312	1.512	10	20	CDCD	
CCC[C@H](O)CNC(=O)c1ccc(C)c(O)c1O	272727704	JFCBAENFPOQBEV-VIFPVBQESA-N	253.298	1.297	10	20	CDCD	
COCC(C)(C)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	274966688	VDLNESSBTQJAAB-SNVBAGLBSA-N	281.352	1.818	10	20	CDCD	
CCCCN(Cc1ccccc1O)C(=O)c1ncn(C)n1	291512778	ILVSQQLGSKZVDW-UHFFFAOYSA-N	288.351	1.963	10	20	CDCD	
CC[C@@H](C)NC(=O)CCNC(=O)NCc1ccccc1O	299510768	NXSBFVWPOSXOPS-LLVKDONJSA-N	293.367	1.496	10	20	CDCD	
Cc1nc2n(n1)C[C@@H](N[C@H]1CCc3cccc(O)c31)CC2	297773037	PFNUWXVWUBWUCQ-STQMWFEESA-N	284.363	1.884	10	20	CDCD	
CCOc1cccc(CN(C)[C@@H](CC)CO)c1O	295148176	QTHOVJUIJZNAKD-LBPRGKRZSA-N	253.342	1.994	10	20	CDCD	
CC[C@@H](NCC(=O)N1CCNCC1)c1ccc(F)cc1O	817946465	XWEZIUIFKQRBEL-CYBMUJFWSA-N	295.358	1.004	10	20	CDCD	
C[C@@H]1C[C@@H](C)[C@@H](C(=O)NCCc2ccc(N)cc2)O1	818545179	NEPHWVOEEIHMKM-GYSYKLTISA-N	262.353	1.741	10	20	CDCD	
CC1(C)CN(C(=O)c2cc(O)cs2)C[C@@H](CO)O1	817767091	VWSKCXBAHLMHKG-VIFPVBQESA-N	271.338	1.066	10	20	CDCD	
COc1cccc(O)c1CNCCCc1cnn(C)n1	815144438	IWJWFLWDQKKDMM-UHFFFAOYSA-N	276.340	1.252	10	20	CDCD	
CN(C)c1ccc(CN[C@@H](C2CC2)[C@H]2CNCCO2)cc1	817896937	ZMWBXGMGTLYLOY-SJORKVTESA-N	289.423	1.609	10	20	CDCD	
CN(C)C1(C(=O)NCc2ccc(N3CCCC3)cc2)CC1	821841711	DSVVPRIPIQCGAC-UHFFFAOYSA-N	287.407	1.997	10	20	CDCD	
O=C1CC[C@H]2CN(Cc3cc(F)ccc3O)CC[C@@H]2N1	827132757	OFIFAWZOQHSRKG-GWCFXTLKSA-N	278.327	1.632	10	20	CDCD	
COc1ccc(O)c(CNC(=O)CSC2CC2)c1	825838803	HGSLKTDHAUUYQH-UHFFFAOYSA-N	267.350	1.913	10	20	CDCD	
CC[C@@H](O)[C@@H](C)C(=O)NCCc1ccc(O)c(O)c1	901121137	BCHUJWUFOYHJQE-MWLCHTKSSA-N	267.325	1.164	10	20	CDCD	
CC(C)C[C@H](C(N)=O)C(=O)NCc1ccc(N(C)C)cc1	839468713	GEDJFPJGUMYHEB-CQSZACIVSA-N	291.395	1.516	10	20	CDCD	
CCOCCOCCCC(=O)NCc1ccccc1O	830526631	PKAOISRRMPUCHZ-UHFFFAOYSA-N	281.352	1.842	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2C[C@@H](N)C2)c1	843489101	DVYNVRQCMTZNPJ-BBBLOLIVSA-N	264.325	1.315	10	20	CDCD	
C[C@H](NC(=O)[C@@]1(O)CCOC1)c1ccc(N(C)C)cc1	840425117	ILYZMFYYHNBXDE-XHDPSFHLSA-N	278.352	1.081	10	20	CDCD	
Cn1nnc2c1CC[C@H](NCc1cc(F)ccc1O)C2	848926775	ZABWPABZABDOSY-NSHDSACASA-N	276.315	1.307	10	20	CDCD	
COc1ccc(CN[C@@H]2CCc3c(nnn3C)C2)cc1C	848567495	WYLJEPWKBDJXBX-CYBMUJFWSA-N	286.379	1.779	10	20	CDCD	
COC(=O)[C@H]1C[C@H](O)CN(Cc2cccc(C)c2O)C1	843434114	HTSCBRAVPCBCCE-STQMWFEESA-N	279.336	1.056	10	20	CDCD	
CCc1cccc(CNC2CN(C(=O)OC)C2)c1O	848898395	BRMAGARQTYIYNU-UHFFFAOYSA-N	264.325	1.495	10	20	CDCD	
COCCNC(=O)C1(N[C@H](C)c2cc(C)ccc2O)CC1	840823161	UXQZHQDXSVEXCP-GFCCVEGCSA-N	292.379	1.646	10	20	CDCD	
COc1cccc([C@H](C)NC[C@@H](O)C2CCOCC2)c1O	846152585	ANTPQIWVJRDVRA-SMDDNHRTSA-N	295.379	1.839	10	20	CDCD	
CCOC1CC(O)(CN[C@H](C)c2cccc(OC)c2O)C1	846167273	VXAAJMYYSNWFAT-OPGSHWCFSA-N	295.379	1.981	10	20	CDCD	
Cn1nncc1CN1CCCc2cc(CN)ccc21	843058180	NPUNSQXQIDLJOC-UHFFFAOYSA-N	257.341	1.227	10	20	CDCD	
CCc1cccc(CN2C[C@@H](CO)OC[C@@H]2C)c1O	848890190	PUTWGJWVKSJTCI-FZMZJTMJSA-N	265.353	1.536	10	20	CDCD	
CCc1cccc(CNc2cnn(CCO)c2)c1O	848899399	NPRXEFLXRUXZLV-UHFFFAOYSA-N	261.325	1.756	10	20	CDCD	
CC(C)(C(=O)NCCc1ccc(N)cc1)n1ccc(N)n1	852797503	VCNOUMFOSNKYMM-UHFFFAOYSA-N	287.367	1.142	10	20	CDCD	
C[C@@H](N[C@H]1CCCN(C)C1=O)c1cc(F)cc(F)c1O	756639100	WUSJWYUKTVJSSW-PELKAZGASA-N	284.306	1.942	10	20	CDCD	
N[C@@]12CCC[C@H]1CN(Cc1cc3c(cc1O)OCO3)C2	857226390	MTYLEFNJZAVLRM-XHDPSFHLSA-N	276.336	1.434	10	20	CDCD	
CN1CCC[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1=O	759596022	SZPBPPMQGBOXBD-VUDGCMKMSA-N	291.303	1.275	10	20	CDCD	
CO[C@@H]1COC[C@H]1n1cc(COc2ccc(N)cc2)nn1	864635921	VAZOTGUSZYCTDJ-ZIAGYGMSSA-N	290.323	1.026	10	20	CDCD	
CN(Cc1cnn(C)c1)Cc1cc2c(cc1O)OC[C@@H]2O	768438530	BGKJSIMMDIKIJR-AWEZNQCLSA-N	289.335	1.184	10	20	CDCD	
COC(=O)N(C)CC(=O)NCc1cc(C)ccc1O	862760918	YJGKEXOGAXYXHQ-UHFFFAOYSA-N	266.297	1.015	10	20	CDCD	
COc1cccc(O)c1CN1CCS(=O)(=O)C[C@H](C)C1	763674780	ZCJGCXNJBNSZCX-LLVKDONJSA-N	299.392	1.267	10	20	CDCD	
CCN(CCN)C(=O)NCCCSc1nccs1	861609437	JNTZNLKZFLDNBC-UHFFFAOYSA-N	288.442	1.616	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H](O)C(C)(C)C	765121881	GMERBSBCXALLNC-CQSZACIVSA-N	292.379	1.885	10	20	CDCD	
CCC[C@H]1C(=O)NCCN1Cc1ccc(OCC)cc1O	769514927	MKFXMKOJSVQFIE-AWEZNQCLSA-N	292.379	1.891	10	20	CDCD	
Cc1cc(O)c(CN2CCC(CO)(CO)CC2)cc1Cl	877796124	IQRWBTDRKNBNJK-UHFFFAOYSA-N	299.798	1.921	10	20	CDCD	
C[C@@H](NCCN1C[C@@H]2CC[C@H](C1)O2)c1ccccc1O	776008337	QPKKKIBSWHSUTO-MCIONIFRSA-N	276.380	1.906	10	20	CDCD	
CN1CCC[C@H](NCc2cc(Cl)cc(F)c2O)C1=O	776230798	AKXICCDEJFMNJL-NSHDSACASA-N	286.734	1.895	10	20	CDCD	
CC[C@@H]1CN(Cc2c(O)cccc2OC)C[C@H]1O	770380821	NPVFPINRFOTTPU-ZWNOBZJWSA-N	251.326	1.604	10	20	CDCD	
CN1CCCc2cc(CNc3cc(C(N)=O)ncn3)ccc21	881867469	OTTQVYGFTVCAIV-UHFFFAOYSA-N	297.362	1.570	10	20	CDCD	
C[C@H](N[C@H](C)[C@H]1CN(C)CCO1)c1c(O)cccc1F	886553476	OCHASPXSWXXPQV-UHIISALHSA-N	282.359	1.901	10	20	CDCD	
Cc1cc(C(=O)NCc2ccc(O)c(O)c2)ccn1	789995006	DKAAURYAXIVRIL-UHFFFAOYSA-N	258.277	1.731	10	20	CDCD	
COc1ccc(CN[C@@H]2CCN(C(C)=O)C2)c(O)c1OC	895519132	XNTRXAHCNVUQED-GFCCVEGCSA-N	294.351	1.120	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)CCCC(N)=O)c1	787445471	LXZDVENVXXYLQK-SECBINFHSA-N	280.324	1.234	10	20	CDCD	
CC[C@@]1(NC(=O)/C=C\c2ccc(O)c(O)c2)CCOC1	791428221	IKWKPOMKVWOOTA-ZDTYVGOBSA-N	277.320	1.796	10	20	CDCD	
C[C@H](NCc1c(O)cccc1Br)C(=O)O	706846517	KXRQSLJMFQTHDF-LURJTMIESA-N	274.114	1.717	10	20	CDCD	
O=C(C[C@@H]1CCOC1)NCCc1ccc(O)c(O)c1	762268683	QLDGFLGDYNYTDV-NSHDSACASA-N	265.309	1.183	10	20	CDCD	
Nc1ccc(CNC(=O)NC[C@@H]2CC[C@H](O)C2)cc1	1337069848	DGQWIFMGLLMGKD-YPMHNXCESA-N	263.341	1.229	10	20	CDCD	
C[C@H](NCC1(C)OCCO1)c1c(O)cccc1F	1337586351	QXVLDHYYNXEABC-VIFPVBQESA-N	255.289	1.945	10	20	CDCD	
COC(=O)NC1CN(Cc2cc(Cl)ccc2O)C1	1261297446	ASKVUWSMODIWES-UHFFFAOYSA-N	270.716	1.586	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@]2(F)CCOC2)c1	1346447057	MKIIXHUWQRLKRE-LKFCYVNXSA-N	283.299	1.707	10	20	CDCD	
CN(C[C@H]1CCCOC1)C(=O)NCc1ccc(N)cc1	1353538751	AMCWOURIYAKBPL-CYBMUJFWSA-N	277.368	1.837	10	20	CDCD	
O=C(O)CC1CC(NC(=O)NCc2ccccc2O)C1	1601943346	JHMJZPHRTRQNKC-UHFFFAOYSA-N	278.308	1.445	10	20	CDCD	
Cc1ccc(C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)O)C2)c(O)c1O	1600341914	DYQJJVYVVSCNHR-OLBFVZFUSA-N	291.303	1.389	10	20	CDCD	
CN(C)C1(C(=O)NCc2ccc(N)cc2)CCCC1	1578409118	JYQIVWGFYDWEAM-UHFFFAOYSA-N	261.369	1.759	10	20	CDCD	
N[C@@H]1CN(Cc2cc(F)cc(F)c2O)CC[C@H]1F	1580395341	MPJWCAPOQPNIEI-MWLCHTKSSA-N	260.259	1.542	10	20	CDCD	
O=C(O)C1CN(Cc2ccc(N3CCC(O)CC3)cc2)C1	1594951187	CGWFATLAWGVXTJ-UHFFFAOYSA-N	290.363	1.164	10	20	CDCD	
CC(C)(CS(=O)(=O)Nc1ccc(O)cc1)C(=O)O	1590811957	CIOYBAPUCLAZCJ-UHFFFAOYSA-N	273.310	1.245	10	20	CDCD	
C[C@@H]1C[C@@H]1[C@@H](NCc1ccc(N(C)C)cc1)C(=O)O	1776602868	CIDAUGVTHXTWLC-DDTOSNHZSA-N	262.353	1.951	10	20	CDCD	
CC(C)[C@H](NC(=O)NCc1ccc(N(C)C)cc1)C(N)=O	161126399	XNPXUDXUWDOTKR-ZDUSSCGKSA-N	292.383	1.062	10	20	CDCD	
CCCSCC(=O)NCc1ccc(O)c(O)c1	158897389	LSMSQAWZGVEFDE-UHFFFAOYSA-N	255.339	1.857	10	20	CDCD	
COC(=O)N[C@H](CC(C)C)C(=O)Nc1ccc(N)cc1	160368232	HXSZFRUIIWMSQL-GFCCVEGCSA-N	279.340	1.978	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)C1(CN)CCCC1	123007166	NVPVMBQPUWTADK-UHFFFAOYSA-N	262.353	1.870	10	20	CDCD	
CCOC(=O)CN(C(=O)c1cccc(O)c1O)C1CC1	126342035	BZXKBJFLIYEZIA-UHFFFAOYSA-N	279.292	1.266	10	20	CDCD	
CN1CCC[C@H](CNC(=O)Cc2ccc(N)cc2)C1	44532256	ALAPSUFBIORVSF-CYBMUJFWSA-N	261.369	1.269	10	20	CDCD	
COCC[C@@](C)(O)CNCc1ccc2c(c1)CCO2	172070310	KAQHFCHXDROZTQ-OAHLLOKOSA-N	265.353	1.499	10	20	CDCD	
COCCN(C)CCN[C@H](C)c1cc(F)ccc1O	94618132	MBWQKLDCERATDH-LLVKDONJSA-N	270.348	1.760	10	20	CDCD	
C[C@H](O)CCNCc1ccc(N2CCOCC2)c(F)c1	304145711	XCZHKBZSBGFXRH-LBPRGKRZSA-N	282.359	1.523	10	20	CDCD	
CC1=NO[C@@](C)(C(=O)NCc2ccc(O)c(O)c2)C1	1358046673	QGLUCANKTOQVEL-CYBMUJFWSA-N	264.281	1.269	10	20	CDCD	
C[C@@H](NC(=O)N(C)Cc1ccccc1O)C(=O)N(C)C	79482580	ZMWFMADKISGBMJ-SNVBAGLBSA-N	279.340	1.010	10	20	CDCD	
CCCNC(=O)CN(CCC)C(=O)Cc1ccc(N)cc1	37817971	GTXLXRRCYWOVRJ-UHFFFAOYSA-N	291.395	1.576	10	20	CDCD	
CC(C)C[C@@H](CCO)CNC(=O)c1cccc(O)c1O	187160040	MFJDAQDOBOGLII-LLVKDONJSA-N	281.352	1.872	10	20	CDCD	
O=C(CC(F)(F)F)NCCc1ccc(O)c(O)c1	129766830	RHIVGWWUSBJSDP-UHFFFAOYSA-N	263.215	1.709	10	20	CDCD	
COc1ccc(CNCCCN2CCN(C)CC2)cc1C	35052762	MJEAPCSGUSPWGY-UHFFFAOYSA-N	291.439	1.731	10	20	CDCD	
CCCOc1ccc(CN[C@@]2(CO)CCOC2)c(O)c1	184197376	UWTNYOQJXHZBMB-OAHLLOKOSA-N	281.352	1.422	10	20	CDCD	
O=C1NC(=S)S/C1=C\c1ccc([N+](=O)[O-])c(O)c1	139921050	NRISVLPPTWGOEL-YWEYNIOJSA-N	282.302	1.789	10	20	CDCD	
Cc1ccc(O)c(CNC[C@H]2COC(C)(C)O2)c1	230204743	QLBMXWSVQPWNQF-LBPRGKRZSA-N	251.326	1.942	10	20	CDCD	
CN(C)c1ccc(CN2CCc3nn(C)c(=O)cc3C2)cc1	93755913	BALMIEDNZLDYRS-UHFFFAOYSA-N	298.390	1.405	10	20	CDCD	
C[C@@H](N)CC(=O)N1CCOc2cc(N(C)C)ccc21	431019515	PYRBUBDEPBGCJD-SNVBAGLBSA-N	263.341	1.215	10	20	CDCD	
Cc1n[nH]c(SCC(=O)NCc2ccccc2O)n1	267336391	KHPMXCDAZUEWJV-UHFFFAOYSA-N	278.337	1.227	10	20	CDCD	
C[C@H](N[C@H](C)CCO)c1cc([N+](=O)[O-])ccc1O	273619253	YMNMTZNXFZWDHA-BDAKNGLRSA-N	254.286	1.722	10	20	CDCD	
CCOC(=O)C[C@H](C)CNC(=O)c1ccc(C)c(O)c1O	273059161	XWBUDVQRYRZPAR-VIFPVBQESA-N	295.335	1.725	10	20	CDCD	
COc1ccc2c(c1)CCCCN2CC(=O)N(C)C	270900498	QZQXTZVGJZJCOH-UHFFFAOYSA-N	262.353	1.926	10	20	CDCD	
CNC(=O)[C@@]1(C)CCN(Cc2ccc(N(C)C)cc2)C1	281125790	OAIQSDKAUCKZPA-INIZCTEOSA-N	275.396	1.711	10	20	CDCD	
CC[C@H](CNCc1ccc([N+](=O)[O-])c(OC)c1O)OC	290872629	KHRJNIHQSUZERH-SNVBAGLBSA-N	284.312	1.824	10	20	CDCD	
COc1ccc(CNC(=O)Cn2cc(Cl)cn2)c(O)c1	807454438	PMBASDHYZYSJFC-UHFFFAOYSA-N	295.726	1.567	10	20	CDCD	
O=C1CN(Cc2ccccc2O)C(=O)N1[C@@H]1CCSC1	819169267	YZVHKKISOUFOMT-LLVKDONJSA-N	292.360	1.662	10	20	CDCD	
C[C@@H](NC(=O)C[C@@H]1CCCC(=O)N1)c1ccccc1O	827946793	RZYGHZIBGJFORA-MNOVXSKESA-N	276.336	1.628	10	20	CDCD	
Nc1ccc(CC(=O)NC[C@H](CO)Cc2ccco2)cc1	826841641	YJUJDEWIBJPUDJ-CYBMUJFWSA-N	288.347	1.372	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@H]2CC2(F)F)c1	825840783	WVQFYJBXFCWBND-SECBINFHSA-N	257.236	1.672	10	20	CDCD	
CCOC(=O)[C@H]1CN(Cc2ccccc2O)CC12COC2	824490036	SPNCBTOKMOCZJR-CYBMUJFWSA-N	291.347	1.404	10	20	CDCD	
O=CN1CCC[C@@H]1C(=O)NCCCSc1nccs1	827474819	NGSWMMLKJVGGNJ-SNVBAGLBSA-N	299.421	1.362	10	20	CDCD	
CC[C@@H](O)CNC[C@H](c1ccc(N(C)C)cc1)N(C)C	905706317	SXJSPVDXHRHXAR-HZPDHXFCSA-N	279.428	1.716	10	20	CDCD	
CC[C@@H](CNCc1cc2c(cc1O)OCO2)C(=O)O	903704001	BEXKPZKPTXWGAF-QMMMGPOBSA-N	267.281	1.321	10	20	CDCD	
COc1cc(O)c(CN[C@@H](CC(C)C)C(=O)O)cc1OC	820775342	SBAWXRUWSDLNND-NSHDSACASA-N	297.351	1.998	10	20	CDCD	
CCC[C@](C)(NC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)O	833648322	RNAVSPWUISNSJG-PKYBCLHXSA-N	293.319	1.871	10	20	CDCD	
C[C@H](NC(=O)[C@@H](O)C1CC1)c1ccc(N(C)C)cc1	832431567	QZTFNHWWVJTIAR-HZMBPMFUSA-N	262.353	1.701	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@@H](CC(C)C)C(N)=O)c1	839682851	AHZCGCRQZIRFNU-LBPRGKRZSA-N	294.351	1.165	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@@H]2[C@H]3CCC(=O)[C@@H]32)c1	907059571	FEOUFYZGIKNOFT-ZLKJLUDKSA-N	275.304	1.242	10	20	CDCD	
CN(Cc1cn(C2CC2)nn1)c1ccc2c(c1)OCO2	906280536	MRUWIRNPSYGSMH-UHFFFAOYSA-N	272.308	1.978	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)c1cnn(C2CC2)c1	910943784	ORQBIDGYRRNLFN-UHFFFAOYSA-N	273.292	1.559	10	20	CDCD	
COC[C@@H](CCO)NCc1ccc(N(C)C)cc1C	840933282	GCRFECRHHUWGJF-CQSZACIVSA-N	266.385	1.548	10	20	CDCD	
C[C@H]1CSC[C@@H]1NC(=O)NCCc1ccc(N)cc1	841901793	MOZAJEYNDGIOEZ-GWCFXTLKSA-N	279.409	1.862	10	20	CDCD	
Cn1nnc2c1CC[C@H](NCc1c(O)cccc1Cl)C2	848565789	MCCDWUPKNCDOQQ-VIFPVBQESA-N	292.770	1.821	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NC1CSC1	912631113	GRCKXPYKFZJNQN-DUXPYHPUSA-N	251.307	1.343	10	20	CDCD	
C[C@H](N)[C@@H]1CCCCN1Cc1cc2c(cc1O)OCO2	843045911	LSURCZVODUNGJM-JQWIXIFHSA-N	278.352	1.823	10	20	CDCD	
CCc1cccc(CN2CC[C@@H](n3cncn3)C2)c1O	848903938	HEWYJCFWBPNCLO-CQSZACIVSA-N	272.352	1.993	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NCCOC(=O)C1CC1	846076807	FGVHXXHGOPWJJG-QHHAFSJGSA-N	291.303	1.180	10	20	CDCD	
CC(C)(CN)NC(=O)NCc1ccc(N2CCCC2)cc1	841709393	FEIHHXKHQITHSF-UHFFFAOYSA-N	290.411	1.823	10	20	CDCD	
CCN(CC)c1ccc(CN[C@@H](COC)C(=O)O)cc1F	841812700	PJZPXZANQCMOFQ-ZDUSSCGKSA-N	298.358	1.861	10	20	CDCD	
C[C@H](C[S@](C)=O)N[C@H](C)c1cc([N+](=O)[O-])ccc1O	757656683	LJOIBFVZNDFYFN-LQJGKPAFSA-N	286.353	1.718	10	20	CDCD	
COC(=O)C[C@@H](C)C(=O)NCc1cc(OC)ccc1O	759088660	DZDGRMNLPOPFTE-SECBINFHSA-N	281.308	1.216	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@@H](C)Cc2cnn(C)c2)c1	862754641	HVQFYDNJDDGRLO-LBPRGKRZSA-N	287.363	1.929	10	20	CDCD	
C[C@H]1CN(Cc2cc3c(cc2O)OC[C@H]3O)CCCO1	768448875	YBCNJPLIOFDOBU-IINYFYTJSA-N	279.336	1.429	10	20	CDCD	
CN(C)C[C@H]1CCN(Cc2cc3c(cc2O)OC[C@H]3O)C1	768448667	WDCNPTTUZIFLJZ-IAQYHMDHSA-N	292.379	1.202	10	20	CDCD	
CN(CC(=O)N(C)c1ccc(N)cc1)C(=O)C1CC1	877079947	CAHZKTNOAAHIEA-UHFFFAOYSA-N	261.325	1.100	10	20	CDCD	
CCN(CC(=O)N(C)C)C(=O)/C=C\c1ccc(O)c(O)c1	779514329	KFKDMNVZLFSYOU-VURMDHGXSA-N	292.335	1.048	10	20	CDCD	
Cc1cccc(O)c1CN1CCC2(CCNC2=O)CC1	877782216	NQAOJECLNBOTSE-UHFFFAOYSA-N	274.364	1.803	10	20	CDCD	
C[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1nncn1C	779480608	YOZQGAWIDNCRRX-XTULLQBASA-N	288.307	1.117	10	20	CDCD	
C[C@@H](NC(=O)NCCN1CCC1)c1ccc(N(C)C)cc1	776249676	QQLCWKJYEMPKBM-CYBMUJFWSA-N	290.411	1.819	10	20	CDCD	
C[C@H](NCCN1CCCC1=O)c1c(O)cccc1F	886632975	KVQMBENSIWFMCV-JTQLQIEISA-N	266.316	1.804	10	20	CDCD	
CCn1ncnc1Cn1cc(COc2ccc(N)cc2)nn1	881325531	RDTFCHKXNBHENS-UHFFFAOYSA-N	299.338	1.099	10	20	CDCD	
C[C@@H](NC(=O)NCCNC1CC1)c1ccccc1O	891988506	HYFHAPVMSMIYPU-SNVBAGLBSA-N	263.341	1.504	10	20	CDCD	
C[C@@H]1CCN(Cc2cc(F)cc(F)c2O)[C@@H]1CO	894535241	XSCGLRUSTLZYDO-PRHODGIISA-N	257.280	1.873	10	20	CDCD	
Cc1noc([C@H](C)NC(=O)c2cccc(O)c2O)n1	790597823	GKWLTQACISQCKR-LURJTMIESA-N	263.253	1.280	10	20	CDCD	
COc1ccc(CNC(=O)Cc2c(C)n[nH]c2C)c(O)c1	794371222	YYIKFUFPEWROLQ-UHFFFAOYSA-N	289.335	1.600	10	20	CDCD	
CCS(=O)(=O)C[C@H](C)N(C)Cc1ccc(N)cc1	1334775483	ZBKKRBLJNQHIGQ-NSHDSACASA-N	270.398	1.524	10	20	CDCD	
CCc1cccc(CNC[C@]2(OC)CCOC2)c1O	691438513	PDUUDPGUOGZEMH-OAHLLOKOSA-N	265.353	1.850	10	20	CDCD	
CC(=O)N1CC[C@H](CN(C)C(=O)Cc2ccc(N)cc2)C1	1328204104	XUNXKMUHZQDNNS-CQSZACIVSA-N	289.379	1.138	10	20	CDCD	
CO[C@H](C)C(=O)Nc1c(Cl)ccc2nonc12	1323459282	SVTHIQJDMMWHMN-RXMQYKEDSA-N	255.661	1.850	10	20	CDCD	
O=C(NCCCSc1nccs1)[C@]1(F)CCOC1	1326067122	VVJZXBHYSHJJFX-NSHDSACASA-N	290.385	1.870	10	20	CDCD	
CCc1cccc(CN[C@H]2CCS(=O)(=O)C2)c1O	709453361	CHRUNABUCGCAKK-LBPRGKRZSA-N	269.366	1.231	10	20	CDCD	
CC(C)[C@]1(CO)CCN(C(=O)NCc2ccc(N)cc2)C1	1337017682	BHNGMRDMCFQHRO-MRXNPFEDSA-N	291.395	1.819	10	20	CDCD	
CC(C)CNCC(=O)NC[C@H](N)c1ccc(N(C)C)cc1	1346005587	WKYSNLFMFYIXGC-HNNXBMFYSA-N	292.427	1.114	10	20	CDCD	
Cn1nnnc1N(Cc1ccccc1O)C[C@H]1CCCO1	1340208116	HNSGOEXYAWAVDB-GFCCVEGCSA-N	289.339	1.101	10	20	CDCD	
COc1ccc(N2CCN(C(=O)[C@@H]3C[C@@H]3F)CC2)cc1F	1346394929	ZSIXNDCMSOEQFH-NEPJUHHUSA-N	296.317	1.841	10	20	CDCD	
O=C(O)CC(=O)N(Cc1ccco1)Cc1ccccc1O	1601886551	QFLWMMWSBRDTKT-UHFFFAOYSA-N	289.287	1.989	10	20	CDCD	
CC[C@H]1C(=O)NCCN1Cc1cc(C)cc(OC)c1O	164303925	HXUXIIRCUPLIKG-LBPRGKRZSA-N	278.352	1.420	10	20	CDCD	
CNC(=O)C(C)(C)CNCc1ccc2c(c1)CCCO2	921914513	JXKLAMZCVXUAIU-UHFFFAOYSA-N	276.380	1.873	10	20	CDCD	
C[C@H](C[C@@H]1CCC(=O)N1)NCc1ccc2c(c1)CCO2	924902123	XAIROYUHSWDFIQ-RISCZKNCSA-N	274.364	1.768	10	20	CDCD	
CCc1cccc(CN(C)C[C@@H]2COCCO2)c1O	827139523	BTNUHUCSTBKOEJ-CQSZACIVSA-N	265.353	1.802	10	20	CDCD	
COc1cccc(CN2C[C@H](OC)[C@H](OC)C2)c1O	234882242	BIGXCHNQVJZSMT-BETUJISGSA-N	267.325	1.246	10	20	CDCD	
Cc1cccc(CNCCN2CCC(O)CC2)c1O	294993517	ZHRVOPJKROEZRG-UHFFFAOYSA-N	264.369	1.247	10	20	CDCD	
CNC(=O)C[C@H](C)N[C@H](C)c1ccc(C)cc1O	322670501	FRFMXVWCRQPXLR-WDEREUQCSA-N	250.342	1.876	10	20	CDCD	
CN1CCC[C@H](NC(=O)Nc2ccc(N)cc2)C1=O	704372956	QKUBQXXEEGSZJI-NSHDSACASA-N	262.313	1.011	10	20	CDCD	
COc1cc(N(C)C2CC(O)C2)c([N+](=O)[O-])cc1OC	758914286	BQMQOSVFGXLLJP-UHFFFAOYSA-N	282.296	1.572	10	20	CDCD	
C[C@@H](C(=O)NCCCSc1nccs1)n1cncn1	172197567	OPLKECHDQWWIIJ-VIFPVBQESA-N	297.409	1.594	10	20	CDCD	
CSC[C@](C)(O)CNCc1cc(C)ccc1O	217853124	TYXUEXMCBKXBCZ-CYBMUJFWSA-N	255.383	1.904	10	20	CDCD	
CNC(=O)C(C)(C)CN[C@H](C)c1ccccc1O	183838828	AYPQVOFHKQXSEL-SNVBAGLBSA-N	250.342	1.815	10	20	CDCD	
COC(=O)[C@@H]1[C@H](O)CCCN1Cc1cc(Cl)ccc1O	188783122	YEKGVQVSGXHVRO-OLZOCXBDSA-N	299.754	1.544	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)c1cccnc1	34067093	UNFZEXBBGOCRBZ-UHFFFAOYSA-N	258.277	1.465	10	20	CDCD	
CCOCCOCCN(C)Cc1cc(OC)ccc1O	191573007	QLRWPISFHIKVKP-UHFFFAOYSA-N	283.368	1.886	10	20	CDCD	
C[C@H]([C@@H](C)S(C)(=O)=O)N(C)Cc1ccccc1O	179575593	JXYBWWVDSSJGOM-GHMZBOCLSA-N	271.382	1.646	10	20	CDCD	
CNC(=O)[C@@H](C)CN(C)Cc1ccc(N(C)C)cc1	93898585	RAFYPZYKLRSSDY-LBPRGKRZSA-N	263.385	1.567	10	20	CDCD	
C[C@@H](NC[C@H]1COCCN1)c1cc(F)ccc1O	530226676	PTXZDPBLSVSORU-KOLCDFICSA-N	254.305	1.170	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)c2nc[nH]n2)cc1F	269392282	AUOSRWFUWWEHMB-UHFFFAOYSA-N	291.330	1.720	10	20	CDCD	
COC[C@H](CNCc1cc([N+](=O)[O-])ccc1O)OC	272682696	NMJYGQINBMHOSR-NSHDSACASA-N	270.285	1.051	10	20	CDCD	
O=C(NCCN1CCCCCC1)c1c(F)ccc(O)c1O	276614047	TUTLEGZRTXUEOO-UHFFFAOYSA-N	296.342	1.843	10	20	CDCD	
Cc1nnc(NCc2ccc(N(C)C)c(F)c2)n1C	274252280	ZDGALBTZOFRVPC-UHFFFAOYSA-N	263.320	1.941	10	20	CDCD	
CC[C@@H](NCCOCCO)c1ccc(C)cc1O	279949997	BSIXWMYOESWFLP-CYBMUJFWSA-N	253.342	1.750	10	20	CDCD	
COc1ccc(CNC[C@@H](CO)[C@@H]2CCOC2)cc1C	280249340	ITDGDKVHLLSVQL-CABCVRRESA-N	279.380	1.738	10	20	CDCD	
CC[C@@H](CNC(=O)NCc1ccccc1O)OC	290842244	CJIVSKDWZVASAQ-NSHDSACASA-N	252.314	1.616	10	20	CDCD	
COC[C@@H](NC(=O)c1c(F)ccc(O)c1O)[C@H]1CCCO1	296467404	XQKPJXRZWUWAKK-MWLCHTKSSA-N	299.298	1.161	10	20	CDCD	
C[C@H](N[C@@H]1COC[C@H]1O)c1cc2c(cc1O)CCCC2	295944513	LQTDIGAFYZLPFZ-DRZCJDIDSA-N	277.364	1.681	10	20	CDCD	
COC(=O)c1cnc(SCCC2OCCO2)s1	295151038	FHLQSKADGIUPIL-UHFFFAOYSA-N	275.351	1.785	10	20	CDCD	
C[C@H]1C[C@@H]1CN1C(=O)CN(Cc2ccccc2O)C1=O	819165253	RKTICVTTYPMHCP-CMPLNLGQSA-N	274.320	1.812	10	20	CDCD	
CO[C@H]1CCC[C@H](C(=O)NCCc2ccc(O)c(O)c2)C1	815833863	HXKJVWXWKVTNBN-STQMWFEESA-N	293.363	1.962	10	20	CDCD	
O=C(O)[C@H]1CCN(Cc2c(O)ccc3ccncc23)C1	819286589	BQNZVXQEOMQNPJ-NSHDSACASA-N	272.304	1.847	10	20	CDCD	
COc1cccc(CNC(=O)COc2cccnc2)c1O	729859277	JYZUPCZDNRRPEV-UHFFFAOYSA-N	288.303	1.491	10	20	CDCD	
COc1cccc(O)c1CNCCN1CCOC(C)(C)C1	729683002	NBUWGONIKNKNKQ-UHFFFAOYSA-N	294.395	1.601	10	20	CDCD	
CC[C@H](NCc1ccc(N2CCOCC2)c(F)c1)[C@@H](C)O	824921642	OPDRDBSUVYYMHH-DOMZBBRYSA-N	296.386	1.911	10	20	CDCD	
C[C@]1(CNCc2ccc3c(c2)CCO3)CCC(=O)N1	835062204	ZAUQIDSDYDCRQP-OAHLLOKOSA-N	260.337	1.380	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)NCC[S@](C)=O	735103618	NYRSZWOIAFAGNL-FQEVSTJZSA-N	297.424	1.273	10	20	CDCD	
C[C@H](NC(=O)Nc1ncn(C)n1)c1ccc(N(C)C)cc1	836670211	URGNPRLLDVTRQP-JTQLQIEISA-N	288.355	1.764	10	20	CDCD	
Cn1ccc(C(=O)NCc2c(O)ccc3c2CCCC3)n1	743716271	NLSVUVVZUCJJAL-UHFFFAOYSA-N	285.347	1.935	10	20	CDCD	
COC(=O)CC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C	910559971	YVVAHPGYSHAOHM-LBPRGKRZSA-N	292.379	1.671	10	20	CDCD	
Nc1ccc(Cc2nc(C3(C(=O)O)CCC3)no2)cc1	843169463	KUSBAODCESMVIL-UHFFFAOYSA-N	273.292	1.749	10	20	CDCD	
O=C(O)C1CCN(Cc2cc3c(cc2O)OCO3)CC1	740482156	LJWGUPVPDMPLRK-UHFFFAOYSA-N	279.292	1.418	10	20	CDCD	
NC[C@@H]1CCCN(Cc2cc3c(cc2O)OCO3)C1	843047174	HZBXJHPIGOTYHV-JTQLQIEISA-N	264.325	1.292	10	20	CDCD	
CCNCC(=O)NCc1ccc(N2CCCC2)cc1	844173313	TZVLQOKBMTWSQV-UHFFFAOYSA-N	261.369	1.513	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)O[C@@H]1CCOC1	914207112	HXZAKAYDZPVACQ-GFCCVEGCSA-N	292.335	1.877	10	20	CDCD	
Nc1ccc(CCNS(=O)(=O)CC[C@@H]2CCCO2)cc1	842823708	YUWFUGZDSPBMOH-AWEZNQCLSA-N	298.408	1.300	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)OC[C@@H]1COC(=O)O1	759588326	KOSOXSHQSRVPJL-HDMKULJXSA-N	280.232	1.190	10	20	CDCD	
C[C@H](NC(=O)NC/C=C\CO)c1ccc(N(C)C)cc1	854002636	CBOBZSPDMVEMFY-RXNFCKPNSA-N	277.368	1.661	10	20	CDCD	
C[C@H](NCC(C)(C)C(N)=O)c1cc(F)cc(F)c1O	756781431	FEFDPMGAPCZCMY-ZETCQYMHSA-N	272.295	1.833	10	20	CDCD	
COc1ccc(O)c(CN2C[C@@H]3CCC[C@@]3(N)C2)c1	857225995	CLHVGJZAHOMTET-SWLSCSKDSA-N	262.353	1.714	10	20	CDCD	
O=C(NCc1ccccc1O)c1ccc(C(=O)O)nc1	833146660	HOKFCFLCTYIDNA-UHFFFAOYSA-N	272.260	1.415	10	20	CDCD	
CC(C)[C@@H]1CN(C(=O)c2cc(O)cs2)CCN1	856489760	QSHZZQLPUKZXPQ-JTQLQIEISA-N	254.355	1.524	10	20	CDCD	
Cc1ncc(C(=O)NCc2cc(Cl)ccc2O)c(N)n1	857548892	ZGKKZNZPPPPHAA-UHFFFAOYSA-N	292.726	1.656	10	20	CDCD	
COC(=O)[C@]1(C)CCN(Cc2c(O)cccc2OC)C1	769528732	YQGSQZYDWSGMEL-OAHLLOKOSA-N	279.336	1.786	10	20	CDCD	
COc1ccc(O)c([C@H](C)NCc2cc(=O)c(O)co2)c1	775369939	JFOIXPLVRNNIRX-VIFPVBQESA-N	291.303	1.910	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1csnn1	773745020	YFYKEPWPSSPSCP-ZETCQYMHSA-N	279.321	1.310	10	20	CDCD	
COC[C@@H](NCc1ccc(OC)c(C)c1)C(=O)OC	789574177	BRHIWKBCFIPUSL-GFCCVEGCSA-N	267.325	1.281	10	20	CDCD	
Cc1ccc(C(=O)NCc2cccc(F)n2)c(O)c1O	780993616	OTQFJTXDVVJSNN-UHFFFAOYSA-N	276.267	1.870	10	20	CDCD	
CC(C)CN1CCC[C@@H]1C(=O)NCc1cccc(O)c1O	1123888752	KQSFWTKQQORVKU-CYBMUJFWSA-N	292.379	1.834	10	20	CDCD	
O=C(OCCCn1ccnc1)c1cc(O)cs1	783607699	JRMATLFMHZEYIR-UHFFFAOYSA-N	252.295	1.897	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@@]2(OC)CCSC2)c1	896360466	DBWWYFGXKUEUKD-CQSZACIVSA-N	297.376	1.539	10	20	CDCD	
COC(=O)[C@@H](NCc1cc(C)cc(OC)c1O)C1CC1	894539140	PEKJDWJZKUJGPA-ZDUSSCGKSA-N	279.336	1.750	10	20	CDCD	
Cc1cc(O)c(CNCc2nnc3n2CCOC3)cc1C	1320708736	PDVIOGSFDLNLEH-UHFFFAOYSA-N	288.351	1.421	10	20	CDCD	
CCc1cccc(CN2CC[C@](C)(C(N)=O)C2)c1O	692128380	BVLBHFKQMMWSHX-HNNXBMFYSA-N	262.353	1.652	10	20	CDCD	
CC(C)CNCC(=O)NCc1ccc(N(C)C)cc1	692201465	YVLWIZRKVXMVTD-UHFFFAOYSA-N	263.385	1.614	10	20	CDCD	
CC[C@@H]1C[C@H]1NC(=O)C(=O)NCc1ccc(N(C)C)cc1	1325394078	XXPPDZRKXRVDTH-TZMCWYRMSA-N	289.379	1.284	10	20	CDCD	
C[C@@H]1CCN(CCNCc2cc3c(cc2O)OCO3)C1	744450207	OVHXWTZFQJXMPQ-LLVKDONJSA-N	278.352	1.552	10	20	CDCD	
Nc1ccc(CC(=O)NC[C@@H]2CCCC[C@H]2O)cc1	85961784	HPZPMVRPCVVVDQ-GXTWGEPZSA-N	262.353	1.479	10	20	CDCD	
CNC[C@H](C)CNCc1ccc([N+](=O)[O-])c(OC)c1O	1331419824	SCOCCYCJHJVWTN-VIFPVBQESA-N	283.328	1.254	10	20	CDCD	
C[C@@]1(CNC(=O)NCc2ccc(N)cc2)CCOC1	1335484224	YFVRJZJQARWRFR-AWEZNQCLSA-N	263.341	1.495	10	20	CDCD	
CC[C@H](NC(C)=O)C(=O)Nc1c(Cl)ccc2nonc12	1333171406	XGKKUSUZFARBKR-QMMMGPOBSA-N	296.714	1.729	10	20	CDCD	
COC[C@@H]1CCN(C(=O)NCc2ccc(N)cc2)C1	1335738342	ZZLLFZKBCMAYMU-GFCCVEGCSA-N	263.341	1.447	10	20	CDCD	
CCOC(=O)N[C@H]1CCCN(Cc2ccc(N)cc2)C1	1345159071	AGMJMMXVWSHNCZ-AWEZNQCLSA-N	277.368	1.979	10	20	CDCD	
COC[C@H](NCc1cc(Cl)cc(Cl)c1O)C(=O)O	1610251710	XIYJQOFRFJUYLM-VIFPVBQESA-N	294.134	1.888	10	20	CDCD	
O=S1(=O)CCC[C@H](NCc2ccc3c(c2)CCCO3)C1	921751736	MDKOKAXCTWHVEJ-AWEZNQCLSA-N	295.404	1.678	10	20	CDCD	
COC[C@@H](C)CNC(=O)NCCc1ccc(N)cc1	841830633	YMLDPYTUZCKGIF-NSHDSACASA-N	265.357	1.393	10	20	CDCD	
COc1cc(Cl)cc(CNCCC(=O)N(C)C)c1O	228672747	RCLKVCLLLVXHKF-UHFFFAOYSA-N	286.759	1.622	10	20	CDCD	
CC1(C)CN(Cc2cc3c(cc2O)OCO3)CCO1	29546533	QZTZDEJNMXMWKL-UHFFFAOYSA-N	265.309	1.732	10	20	CDCD	
COc1ccc(CNCCNC(=O)C2CC2)cc1C	48396592	NKUNCNKEHXPTNV-UHFFFAOYSA-N	262.353	1.619	10	20	CDCD	
COc1ccc(CN[C@@H]2CCN(C)[C@@H](C)C2)c(O)c1	90721815	CXMFOMKAMQTACE-WCQYABFASA-N	264.369	1.973	10	20	CDCD	
O=C1CC[C@@H](NCc2ccc3c(c2)CCO3)CCN1	396735234	UWXOLLSVTRTXSO-CYBMUJFWSA-N	260.337	1.380	10	20	CDCD	
COC(=O)C1CCN(Cc2cc(OC)ccc2O)CC1	183486716	HVAUMGRVFJCFAV-UHFFFAOYSA-N	279.336	1.786	10	20	CDCD	
CN(C(=O)/C=C/c1ccc(O)c(O)c1)c1cnn(C)c1	181116042	BSSOODWSICWJBM-GQCTYLIASA-N	273.292	1.508	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H]1COCCN1	130298252	YVVLSDCPWASEGF-CQSZACIVSA-N	291.395	1.090	10	20	CDCD	
CO[C@@H](C)C(=O)NCc1ccc(N2CCCC2)cc1	49114632	HWVXWASARMDGHQ-LBPRGKRZSA-N	262.353	1.938	10	20	CDCD	
O=C(O)[C@H]1CN(Cc2c(O)ccc3ccccc23)CCO1	86805222	BOAVLWAMHOOUJC-OAHLLOKOSA-N	287.315	1.831	10	20	CDCD	
CCCCN(CC(N)=O)Cc1ccc(N(C)C)cc1	91950206	SZEWEXFDGIQZKA-UHFFFAOYSA-N	263.385	1.840	10	20	CDCD	
COC(=O)N[C@H](C(=O)Nc1ccc(N)cc1)C(C)C	237278884	LMJVRQPSAPEFRB-NSHDSACASA-N	265.313	1.588	10	20	CDCD	
CC(C)(C)OC(=O)C(=O)NCc1ccc(O)c(O)c1	274098448	RRTVABRMYTYZIW-UHFFFAOYSA-N	267.281	1.056	10	20	CDCD	
CN1CC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)C1	272378153	FIEUYUJERDZFQX-PYEVWLCESA-N	276.336	1.179	10	20	CDCD	
CCC[C@@H](O)CNC(=O)c1ccc(C)c(O)c1O	272727701	JFCBAENFPOQBEV-SECBINFHSA-N	253.298	1.297	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H](C)[C@@H]2CCOC2)c(O)c1O	272745691	NALIIJSJVLAKFB-VHSXEESVSA-N	265.309	1.561	10	20	CDCD	
COC[C@@H]1CN(Cc2cc3c(cc2O)OCO3)C[C@@H](C)O1	276023863	NQIFIMBRFFGDOC-PWSUYJOCSA-N	295.335	1.357	10	20	CDCD	
CC(=O)C(=O)CSc1nc(O)cc(C(F)F)n1	289469023	HBXAWUFPKVZJBF-UHFFFAOYSA-N	262.237	1.370	10	20	CDCD	
COCCOCCN(C)Cc1ccc(N(C)C)c(F)c1	290205835	PYVTYKWEBMLZPR-UHFFFAOYSA-N	284.375	1.987	10	20	CDCD	
COc1ccc(O)c(CNC(=O)C2(C(C)=O)CC2)c1	815834996	HSEKGZZAXYKYPW-UHFFFAOYSA-N	263.293	1.386	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)N[C@H]2[C@@H]3CNC[C@@H]32)c1	817977341	HXZXKQCLGWIMQP-XFOOOJQKSA-N	276.336	1.047	10	20	CDCD	
CCOc1ccc(CN[C@H]2C[C@H](C(=O)OC)C2)c(O)c1	827812219	GGCSMRUWLPKHKQ-HAQNSBGRSA-N	279.336	1.832	10	20	CDCD	
C[C@H](N)CC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	827726157	SLWJIRBLFBEJQH-STQMWFEESA-N	291.395	1.438	10	20	CDCD	
CCOc1ccc(CNCC(=O)N(CC)CC)c(O)c1	725848380	PHSDKAXHZNITJT-UHFFFAOYSA-N	280.368	1.749	10	20	CDCD	
COCCN(CC[C@H](C)O)c1ccc(OC)c(OC)c1	828345358	RWJNBQUFPADZFY-LBPRGKRZSA-N	283.368	1.928	10	20	CDCD	
Cc1cc(O)c(CN2C[C@@H](O)C[C@H]2CO)cc1Cl	825548096	BPYINLAFWBAQAV-QWRGUYRKSA-N	271.744	1.282	10	20	CDCD	
O=C1N=C(N2CCCCC2)S/C1=C/c1ccc(=O)[nH]c1	901435934	KVCKJNSCGLYFDM-DHZHZOJOSA-N	289.360	1.831	10	20	CDCD	
O=C(NCc1nccn1C(F)F)c1cc(O)cs1	732278034	CAUVWXQFOUDSBH-UHFFFAOYSA-N	273.264	1.975	10	20	CDCD	
CN(C)c1ccc([C@H](N)CNC(=O)[C@@H]2CCCCO2)cc1	832284576	KUKSVHQXKDEVFR-CABCVRRESA-N	291.395	1.438	10	20	CDCD	
CC[C@H](C(=O)N[C@@H](C)c1cc(OC)ccc1O)[C@H](C)O	842232916	WJXLVCQTALFPAT-NHCYSSNCSA-N	281.352	1.985	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC[C@@H]1CN(C)CCN1C	840934910	ZHFPQVPETSZZON-QGZVFWFLSA-N	290.455	1.396	10	20	CDCD	
COC(=O)N1CCCN(c2ccc(OC)cc2)CC1	918664366	UVIJEBGQIYOXFN-UHFFFAOYSA-N	264.325	1.974	10	20	CDCD	
CNC(=O)C[C@@H](C)N[C@H](C)c1cccc(OC)c1O	846167673	ASBVLCNNHZDVKS-NXEZZACHSA-N	266.341	1.576	10	20	CDCD	
COc1cc(O)c(CNC[C@@H](C(=O)O)C(C)C)cc1OC	848639734	KKMGZHYYPMUNRA-LLVKDONJSA-N	297.351	1.856	10	20	CDCD	
CC[C@@H](N)CNC(=O)N(C)Cc1ccccc1O	842009260	ZHJOYOADQHGWFP-LLVKDONJSA-N	251.330	1.271	10	20	CDCD	
NCCc1nc(C(=O)NCCc2ccc(N)cc2)cs1	843343177	WAYQXWIYBLMKSG-UHFFFAOYSA-N	290.392	1.199	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)c1cc(C2CC2)no1	910946569	QJDPJPZYGAHPOU-UHFFFAOYSA-N	274.276	1.893	10	20	CDCD	
Cc1ccc(C(=O)N2CC[C@@H](CF)C2)c(O)c1O	916112760	ADEGMSQJRYEGKT-VIFPVBQESA-N	253.273	1.838	10	20	CDCD	
Cc1ccc(C(=O)NCc2cn3ccccc3n2)c(O)c1O	751537683	GZPWUPZCBXCREJ-UHFFFAOYSA-N	297.314	1.984	10	20	CDCD	
Nc1ccc(CCNC2[C@H]3CC[C@H]2CC(N)C3)cc1	925696319	ZFCFWTXUSUHONG-VRLRAXNCSA-N	259.397	1.917	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@@](C)(OC)C(=O)O)c1	852942450	IUKRKPLFCJCNRH-XLKFXECMSA-N	297.307	1.068	10	20	CDCD	
Nc1ccc(CCNC(=O)CC[C@H]2CCCNC2)cc1	856997837	FLEXXHQOTMNAPO-CQSZACIVSA-N	275.396	1.707	10	20	CDCD	
CCOc1ccc(O)c(CNCc2cn(CC)nn2)c1	850366412	ZFGMGPVPQCPLTJ-UHFFFAOYSA-N	276.340	1.692	10	20	CDCD	
O=C(NC1CC1)N[C@H]1CCN(C(=O)c2cc(O)cs2)C1	761222623	KRTRTLPNMHMQRP-VIFPVBQESA-N	295.364	1.130	10	20	CDCD	
Cc1ccc(CN(C)CCS(C)(=O)=O)c(O)c1	876585116	AOXGHRLXJNRMNO-UHFFFAOYSA-N	257.355	1.177	10	20	CDCD	
CC1=NN(C2=NS(=O)(=O)c3ccccc32)C(=O)[C@H](C)C1	871947049	NWYDZMAFWIFEDE-MRVPVSSYSA-N	291.332	1.380	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)C1(F)CCCC1	773413522	KNDGDTQGTCNKHH-UHFFFAOYSA-N	253.273	1.996	10	20	CDCD	
COc1cc(O)c(CN[C@@H](C)C2CCNCC2)cc1OC	873222432	SDUAIRNXPNKELU-NSHDSACASA-N	294.395	1.887	10	20	CDCD	
C[C@H]1C[C@@H](C(=O)NCc2cccc(O)c2O)CCN1C	1123890461	YTHQNPXIUZTYPD-QWRGUYRKSA-N	278.352	1.444	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN(C)CC2(O)CCC2)c1O	775062876	KERVPIZTTORHMK-UHFFFAOYSA-N	296.323	1.656	10	20	CDCD	
CSCCNC(=O)/C=C\c1ccc(O)c(O)c1	779489478	PIPMNMUIVYIRBQ-HYXAFXHYSA-N	253.323	1.590	10	20	CDCD	
CC[C@@H](CO)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	779846541	UZULUIAMSNFPIZ-NEPJUHHUSA-N	264.369	1.948	10	20	CDCD	
CC1(C)CN(C(=O)c2cc(O)cs2)CC[C@@H]1O	783931904	GJSOTULGMQLTCY-JTQLQIEISA-N	255.339	1.687	10	20	CDCD	
Nc1ccc(CCNC(=O)COCc2ccccn2)cc1	884028561	KGJDRHJTPDMNKR-UHFFFAOYSA-N	285.347	1.539	10	20	CDCD	
COc1ccc(CN[C@]2(CCO)CCOC2)c(O)c1OC	894069626	DRTHJIABGBBWEI-OAHLLOKOSA-N	297.351	1.041	10	20	CDCD	
CCc1ocnc1C(=O)OCC(=O)c1ccc(O)c(O)c1	783758928	CFKAXMDGXAHBGS-UHFFFAOYSA-N	291.259	1.688	10	20	CDCD	
O=C(NCCOC1CCSCC1)c1cccc(O)c1O	891227019	NSSBGPMNNLIOEH-UHFFFAOYSA-N	297.376	1.740	10	20	CDCD	
COCCN1CC[C@H](N[C@H](C)c2ccccc2O)C1	272830980	HWTBDOWGEPSCBE-OLZOCXBDSA-N	264.369	1.764	10	20	CDCD	
C[C@H](NC[C@]1(O)CCN(C)C1)c1ccc(N(C)C)cc1	702566583	JWVHRPAEGDBOGW-XJKSGUPXSA-N	277.412	1.470	10	20	CDCD	
CC(C)[C@@H]1CCN1C(=O)C(=O)NCCc1ccc(N)cc1	1325746780	TWPZQECXJVTNTM-AWEZNQCLSA-N	289.379	1.184	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)NCCCCN)c1	1325681735	NYVOWEIJGYLFCP-JTQLQIEISA-N	281.356	1.500	10	20	CDCD	
C[C@@H](NC(=O)CCc1ccn(C)n1)c1ccccc1O	1336023248	MUGQIVZZXNLRNA-LLVKDONJSA-N	273.336	1.936	10	20	CDCD	
O=C(O)C[C@@H]1CCCN1Cc1cc2c(cc1O)OC[C@@H]2O	1608696621	LEPHTNZKDQYIMY-GWCFXTLKSA-N	293.319	1.257	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC[C@H](C)C(=O)O	1605187447	YBVBRRXFKGWKMA-NSHDSACASA-N	250.342	1.871	10	20	CDCD	
Cc1cc(CN[C@@]2(C(=O)O)CCOC2)ccc1N(C)C	1610462227	YOFIIHXRAXFFKJ-HNNXBMFYSA-N	278.352	1.394	10	20	CDCD	
O=C(O)[C@@]12COC[C@@H]1CN(Cc1ccc(F)c(F)c1O)C2	1595192805	ZZODCDLULQAHDH-XPTSAGLGSA-N	299.273	1.203	10	20	CDCD	
COCC1(C(=O)NCc2ccccc2O)CCNCC1	234664570	MNIZUNBHLWEYOT-UHFFFAOYSA-N	278.352	1.025	10	20	CDCD	
COc1ccc(O)c(CNC[C@@H]2CCN(C3CC3)C2)c1	37649067	QTYISILIWBTGKX-LBPRGKRZSA-N	276.380	1.975	10	20	CDCD	
Cn1ccc(CCN[C@H]2CCc3cccc(O)c32)n1	311803982	BYEQOOXOJWFABF-ZDUSSCGKSA-N	257.337	1.945	10	20	CDCD	
CN(C)C(=O)CCNCc1cc(F)cc(F)c1O	708441674	KHLFQOKZSVJAFI-UHFFFAOYSA-N	258.268	1.238	10	20	CDCD	
CC(C)[C@H]1CN(C(=O)c2cccc(O)c2O)CCO1	709023226	ZQXHFPKKECZURP-GFCCVEGCSA-N	265.309	1.595	10	20	CDCD	
Oc1cccc(Cl)c1CNC[C@@H](O)COCC1CC1	113331580	MJGMVFUHUFDKHN-LLVKDONJSA-N	285.771	1.923	10	20	CDCD	
CCC(O)(CC)CNCc1cc2c(cc1O)OCO2	112017942	VNRGORDCIHLACN-UHFFFAOYSA-N	267.325	1.762	10	20	CDCD	
CN(C)c1ccc(CN2CCC[C@H]2CO)cc1F	119272929	KKLHHVUXPDVPAC-LBPRGKRZSA-N	252.333	1.848	10	20	CDCD	
CCOCCO[C@H](C)C(=O)NCc1ccc(N)cc1	1356226903	DEGWZDUFRQEDTA-LLVKDONJSA-N	266.341	1.327	10	20	CDCD	
CCN(C)C(=O)[C@H](C)NCc1cc(F)ccc1O	188046445	MDABJXNPXKNPQK-VIFPVBQESA-N	254.305	1.488	10	20	CDCD	
COC[C@H](C)N(C)C(=O)c1ccc(C)c(O)c1O	182122529	DXVOMSSONZROIG-VIFPVBQESA-N	253.298	1.513	10	20	CDCD	
COC[C@@H](O)CCNCc1ccc2c(c1)CCO2	153763065	JJBUOQVGOXVJES-ZDUSSCGKSA-N	251.326	1.109	10	20	CDCD	
Cc1cc(C(=O)N(C)[C@H](C)CO)c(C)n1-c1ccccn1	126698538	HQACMHMFIUMKBZ-GFCCVEGCSA-N	287.363	1.942	10	20	CDCD	
C/C=C/C[C@H](CO)NCc1ccc(N2CCOCC2)cc1	185815200	WLTRUXLSIDAHOF-WOMSROEHSA-N	290.407	1.940	10	20	CDCD	
O=C(NCc1c(O)ccc2c1CCCC2)[C@H]1C[C@H](F)CN1	188921937	SBDSOTGPSRHDJT-SMDDNHRTSA-N	292.354	1.587	10	20	CDCD	
CCCN(CC(=O)NCC)Cc1ccccc1O	174374333	XIUKBDCFOQHRGB-UHFFFAOYSA-N	250.342	1.740	10	20	CDCD	
C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(N)cc1	146421265	DLXZDFKQBMKYJD-SNVBAGLBSA-N	293.367	1.798	10	20	CDCD	
Cc1cc(C(=O)NC[C@H](N)C2CC2)c(C)n1-c1ccccn1	237740229	BOKJTUQUANTZNB-HNNXBMFYSA-N	298.390	1.956	10	20	CDCD	
Nc1ccc(CC(=O)N2CCC[C@H](Cn3cncn3)C2)cc1	237888896	KAYLROZQUKOVDS-AWEZNQCLSA-N	299.378	1.342	10	20	CDCD	
CC[S@@](=O)CC(=O)NCc1ccc(N2CCCC2)cc1	279219262	OTLRXBRBBBUFPQ-HXUWFJFHSA-N	294.420	1.672	10	20	CDCD	
COc1ccc(O)c([C@@H](C)N[C@H](CO)c2cnn(C)c2)c1	273489340	NXJWIYMFYQTZIA-QMTHXVAHSA-N	291.351	1.519	10	20	CDCD	
CC(=O)OC(C)(C)C(=O)NCc1ccccc1O	275570557	IGEHSRLIYASYIH-UHFFFAOYSA-N	251.282	1.350	10	20	CDCD	
C[C@H](CCCO)NC(=O)/C=C/c1ccc(O)c(O)c1	272526842	WMNSJYWCFLKOEE-BREXMAIKSA-N	265.309	1.388	10	20	CDCD	
O=C(c1c[nH]nc1-c1cccnc1)N1CCn2nccc21	557169555	GFJCPTNDIQLTPP-UHFFFAOYSA-N	280.291	1.329	10	20	CDCD	
O=C(NC1(c2nc[nH]n2)CCC1)c1cc(O)cs1	807359256	WXMLJGRBJGHCLZ-UHFFFAOYSA-N	264.310	1.381	10	20	CDCD	
CO[C@H]1COC[C@@H]1N[C@@H](C)c1ccc(F)cc1O	290045361	DTFGUXGWQDZLED-QWRKXWFKSA-N	255.289	1.596	10	20	CDCD	
O=C(NCCCn1ccnc1)NCc1ccccc1O	299515790	OXVRCRDKAICKIB-UHFFFAOYSA-N	274.324	1.478	10	20	CDCD	
CNC(=O)N1CCN(Cc2ccc(N(C)C)c(C)c2)CC1	293807164	NYDHEJVQNJQIBU-UHFFFAOYSA-N	290.411	1.518	10	20	CDCD	
CCOCC(C)(C)NC(=O)c1ccc(C)c(O)c1O	293881629	KZUSRMJOGOMQKE-UHFFFAOYSA-N	267.325	1.951	10	20	CDCD	
COCC1(C(=O)NCc2ccc(OC)cc2O)CCC1	803291779	BFYVDKXISMHCDM-UHFFFAOYSA-N	279.336	1.834	10	20	CDCD	
COc1ccc(N2CC[C@@H](CNC(=O)CN(C)C)C2)cc1	819583086	STHVSYDXZDANCO-ZDUSSCGKSA-N	291.395	1.199	10	20	CDCD	
CN1CN(Cc2ccc3ccccc3c2O)CC1=O	816566517	XYZKQCCYXDIENI-UHFFFAOYSA-N	256.305	1.777	10	20	CDCD	
Cc1cc(C)c([C@H](C)NC[C@@]2(O)CCN(C)C2)c(O)c1	815616388	NKRUKDFDMAXOQX-BBRMVZONSA-N	278.396	1.726	10	20	CDCD	
O=C(c1c(F)ccc(O)c1O)N1CC(OC(F)F)C1	829618260	QEGFUERUNNOALX-UHFFFAOYSA-N	277.198	1.301	10	20	CDCD	
CCOc1ccc(O)c(CN[C@@H](CC)C(=O)NC)c1	825316828	VKYWIWIXPXAMQN-LBPRGKRZSA-N	266.341	1.405	10	20	CDCD	
Cc1cc(O)c(CN2CC(=O)N[C@H](C)C2)cc1Cl	826064616	MLZYDTTVAZIJQW-SECBINFHSA-N	268.744	1.674	10	20	CDCD	
COC(=O)c1cnc(S[C@@H](C(=O)OC)C2CC2)s1	829681112	OAOUVSXNHZFNIT-MRVPVSSYSA-N	287.362	1.973	10	20	CDCD	
Cc1ccc(C(=O)NC2(CO)CCSCC2)c(O)c1O	838006867	QJBVMYUAZSPCET-UHFFFAOYSA-N	297.376	1.394	10	20	CDCD	
Cc1ccc2c(c1)CCN2C(=O)c1c(C)c[nH]c1CC(N)=O	901317971	KQFHYTJNZVUZTR-UHFFFAOYSA-N	297.358	1.862	10	20	CDCD	
O=C(O)CN(Cc1c(O)ccc2ccncc12)C1CC1	738607739	RRNYAKMGFKHRSO-UHFFFAOYSA-N	272.304	1.989	10	20	CDCD	
COC(=O)[C@]1(C)CCCN(C(=O)c2cccc(O)c2O)C1	839919535	YICGLVPCWZJJMY-OAHLLOKOSA-N	293.319	1.513	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)[C@H]1C[C@]12CCOC2	910947870	PWXHVEFXPOEWBQ-RISCZKNCSA-N	263.293	1.141	10	20	CDCD	
O=C1CC[C@@H]2[C@@H]1[C@@H]2C(=O)NCc1cc(Cl)ccc1O	911897878	LITSSLVUBKUJBM-JIMOISOXSA-N	279.723	1.887	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CC[C@@H]3CNC[C@@H]32)c1O	842472402	GIUHRRFSSUWDBY-YGRLFVJLSA-N	278.327	1.528	10	20	CDCD	
CC(C)(C)n1nnc(COC(=O)c2cccc(O)c2O)n1	848741620	AWSXANPLYOJLNL-UHFFFAOYSA-N	292.295	1.196	10	20	CDCD	
C[C@H]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(N)cc1	841124871	WGPPTUHJBYMWKC-WDEREUQCSA-N	275.352	1.760	10	20	CDCD	
C[C@@H](O)C[C@@H](C)CNC(=O)NCCc1ccc(N)cc1	841954183	JMKNTZIMXSJGMY-VXGBXAGGSA-N	279.384	1.518	10	20	CDCD	
CNCCNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	841936525	NSTGSJAUZWXVTM-UHFFFAOYSA-N	290.411	1.646	10	20	CDCD	
CC[C@H](N)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	843483818	FKXRDXSPSAKPJB-KGLIPLIRSA-N	292.379	1.637	10	20	CDCD	
Cc1cc(C(=O)NCC(=O)O)c(C)n1-c1ccccn1	740060123	LPGIWWRGWNWVCX-UHFFFAOYSA-N	273.292	1.304	10	20	CDCD	
CNCCN(C)C(=O)NCc1ccc(N(C)C)c(F)c1	841760870	MIMLKSGGQQUNFG-UHFFFAOYSA-N	282.363	1.253	10	20	CDCD	
COc1ccc(O)c(CN[C@@H]2CC[C@@H](CN)C2)c1	841084597	LLVHSZFROYVUAO-ZYHUDNBSSA-N	250.342	1.618	10	20	CDCD	
COC1(C)CN(C(=O)NCCc2ccc(N)cc2)C1	841960661	UUUXRLVHRQAKEQ-UHFFFAOYSA-N	263.341	1.242	10	20	CDCD	
C[C@H](NCc1ccc2c(c1)CCCO2)[C@@H]1CN(C)CCO1	921864082	RTDGQZXSHCHQBU-GUYCJALGSA-N	290.407	1.820	10	20	CDCD	
CN(C)CCCNC(=O)NCc1ccccc1O	748462831	KCTCSIDQIXZNIJ-UHFFFAOYSA-N	251.330	1.143	10	20	CDCD	
COc1ccc(CNC(=O)N[C@H]2COC[C@@H]2C)c(O)c1	926015557	IZUZGIIOYMBTDC-CABZTGNLSA-N	280.324	1.235	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CCOC1	752253958	BYHHXULNTGBOAL-CYBMUJFWSA-N	277.368	1.649	10	20	CDCD	
O=C(NCc1ccc(N2CCC(O)CC2)cc1)C(F)F	856209370	KZVPICXCNCHBTI-UHFFFAOYSA-N	284.306	1.529	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H]2COC[C@H]2C)c(O)c1O	928902977	KGTWCYXDQFMROS-PSASIEDQSA-N	251.282	1.171	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NCCn2ccnc2)c1	858272670	LOFYUZICGMXZBJ-UHFFFAOYSA-N	274.324	1.397	10	20	CDCD	
COc1ccc(N2CCN(C(=O)[C@H]3C[C@H](N)C3)CC2)cc1	852855068	VQAMMWKISOMRSM-JOCQHMNTSA-N	289.379	1.081	10	20	CDCD	
CC[C@@H](C(=O)NCc1cc(C)ccc1O)[C@H](C)O	863937141	LTZAIGIYSZBQOY-CMPLNLGQSA-N	251.326	1.724	10	20	CDCD	
Oc1c(CNCCN2CC[C@@H](O)C2)ccc2ccccc12	862531728	JUAVXZIOVFGWFG-OAHLLOKOSA-N	286.375	1.702	10	20	CDCD	
C[C@@H](N[C@@H]1COCC[C@H]1O)c1cc(Cl)ccc1O	866497291	DQVVIQGYJBESTK-XTWCZFFVSA-N	271.744	1.846	10	20	CDCD	
COc1ccc(N(CCOCCN)CC2CC2)cc1	866671881	BEPGSERJVLADJT-UHFFFAOYSA-N	264.369	1.887	10	20	CDCD	
CCc1cc(C(=O)NCc2ccc(N(C)C)cc2)nn1C	1116523334	WLHMQLPCOAKTIW-UHFFFAOYSA-N	286.379	1.979	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2nccs2)c1	770492920	LVLXFFYRZQXDQZ-UHFFFAOYSA-N	264.306	1.787	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)Nc1c[nH]ccc1=O	779514998	RMYBFJLALNGUDX-DUXPYHPUSA-N	272.260	1.438	10	20	CDCD	
Cc1cccc(O)c1CNCCC(=O)N1CCOCC1	876952690	BPQSHERETPNFBI-UHFFFAOYSA-N	278.352	1.039	10	20	CDCD	
Cc1cccc(O)c1CN[C@@H](C)CC[S@@](C)=O	877088226	DHOGUKDYUIPSMZ-APPDUMDISA-N	255.383	1.947	10	20	CDCD	
Cc1cccc(O)c1CN1CCC(CS(C)(=O)=O)CC1	877545536	HYVGQQXNHWCFIX-UHFFFAOYSA-N	297.420	1.957	10	20	CDCD	
O=S(=O)(NCCCSc1nccs1)NC1CC1	772676208	LGSGRGSCTTWBDV-UHFFFAOYSA-N	293.439	1.212	10	20	CDCD	
Oc1c(F)cc(F)cc1CNC[C@H](O)CN1CCCC1	882916686	UPTQNJZUVMTLKT-LBPRGKRZSA-N	286.322	1.217	10	20	CDCD	
Cc1ccc(C(=O)N(C)C[C@H](O)C2CC2)c(O)c1O	780969777	OJXXDXRFSIAWDV-NSHDSACASA-N	265.309	1.249	10	20	CDCD	
CCONC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	894276143	OXSSMCZQSSQIAH-CQSZACIVSA-N	294.399	1.606	10	20	CDCD	
CN(C)c1ccc([C@@H](CN=c2nc[nH]n2C)N(C)C)cc1	897522016	KODVSYTVSLLCSM-CQSZACIVSA-N	288.399	1.018	10	20	CDCD	
C[C@H]1CN(Cc2ccccc2O)C[C@@H](C)[S@]1=O	792192037	JPLBRWAXQGJNPD-YQYWCBKUSA-N	253.367	1.734	10	20	CDCD	
OC[C@@]12C[C@H]1CN(Cc1c(O)ccc(Cl)c1F)C2	792180840	VHXTZQKAXRPFHV-SDBXPKJASA-N	271.719	1.999	10	20	CDCD	
COc1ccc(CNc2ccnc(N(C)C)n2)c(O)c1	795290098	PVCMSSQHGCTPNT-UHFFFAOYSA-N	274.324	1.869	10	20	CDCD	
COc1ccc(CNC(=O)NCCn2cccn2)c(O)c1	792983174	FGCCQYFUBXTUKC-UHFFFAOYSA-N	290.323	1.097	10	20	CDCD	
O=C1N[C@H](c2cc(O)ccc2O)Nc2ccccc21	1319135126	CHKXDVCRNGPXRI-CYBMUJFWSA-N	256.261	1.952	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC[C@]2(O)CCN(C)C2)c1	702575096	VWCYAEMCJLBLRY-XHDPSFHLSA-N	280.368	1.118	10	20	CDCD	
COc1ccc(CNC(=O)c2cncnc2C)c(O)c1	1321549736	FAKITDAIOCREFZ-UHFFFAOYSA-N	273.292	1.429	10	20	CDCD	
CN1CCCc2cc(CNC(=O)CCC(=O)O)ccc21	169814378	DAEXKPAOVDLFNX-UHFFFAOYSA-N	276.336	1.550	10	20	CDCD	
C[C@H](NC[C@H]1CCS(=O)(=O)C1)c1ccc(F)cc1O	62747894	IRORQYXCKDAXTK-VHSXEESVSA-N	287.356	1.617	10	20	CDCD	
O=S1(=O)CCC[C@@H](NCc2ccc3c(c2)CCO3)C1	69141210	MTYYWPBVLRCXNQ-CYBMUJFWSA-N	281.377	1.288	10	20	CDCD	
COc1ccc(O)c(CN2CCO[C@@H](CC(=O)O)C2)c1	91298634	MFODLLKMMXYTQJ-LBPRGKRZSA-N	281.308	1.076	10	20	CDCD	
CC(C)CC[C@H](N)C(=O)NCc1cccc(O)c1O	1575560732	MQAKTJBEBFCWBK-NSHDSACASA-N	266.341	1.478	10	20	CDCD	
Nc1ccc(CNC(=O)c2ccc(-n3cnnc3)cc2)cc1	1580445583	LIGNKKRTAKFDHX-UHFFFAOYSA-N	293.330	1.780	10	20	CDCD	
C[C@H](N[C@H](C)c1cccc(-c2nn[nH]n2)c1O)c1cn[nH]c1	1589954548	YXUALNDUNCWWQZ-DTWKUNHWSA-N	299.338	1.707	10	20	CDCD	
CS(=O)(=O)C1(CNCc2ccc3c(c2)CCCO3)CC1	922076123	NZGODLVWFWLCMX-UHFFFAOYSA-N	295.404	1.678	10	20	CDCD	
COc1ccc(CNC[C@]2(O)CCO[C@@H]2C)cc1C	227974365	OOONTUDXISDCTJ-IUODEOHRSA-N	265.353	1.633	10	20	CDCD	
CN1CCC[C@@H](CNC(=O)Cc2ccc(N)cc2)C1	44532258	ALAPSUFBIORVSF-ZDUSSCGKSA-N	261.369	1.269	10	20	CDCD	
CC(=O)c1cc(Cl)cc(CN2C[C@@H](CO)[C@@H](O)C2)c1O	316455111	OTAWPCURNPWMGP-GWCFXTLKSA-N	299.754	1.033	10	20	CDCD	
CCc1cccc(CN[C@@H]2CCS(=O)(=O)[C@@H]2C)c1O	691450419	HQKJZPSHRPTCBI-ZWNOBZJWSA-N	283.393	1.620	10	20	CDCD	
CC(=O)c1cc(F)cc(CN(C)[C@H]2CCNC2=O)c1O	759435489	GZVHLAAGEUGRIB-LBPRGKRZSA-N	280.299	1.054	10	20	CDCD	
Cc1cccc(N(C)C(=O)/C=C/c2cnn(C)c2)n1	118666641	PCNSMJZQTPQCLA-BQYQJAHWSA-N	256.309	1.800	10	20	CDCD	
NC(=O)N1CCCN(Cc2cccc(Cl)c2O)CC1	179944355	NPJBOCHAQPCYRC-UHFFFAOYSA-N	283.759	1.632	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)cc1	72647499	YYEWSUQEVYTBPX-KFWWJZLASA-N	274.364	1.936	10	20	CDCD	
CCCCOCC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	183451270	WTOGIIUWNWLIHL-NSHDSACASA-N	281.352	1.962	10	20	CDCD	
COc1ccc(O)c(CN2CCNC(=O)[C@H]2C(C)C)c1	180043092	OUHGMSJUHLQESH-CQSZACIVSA-N	278.352	1.357	10	20	CDCD	
CCOCc1cc(CN[C@H](C)C(=O)OC)ccc1OC	193104948	BPDOHWFMIOVLAI-LLVKDONJSA-N	281.352	1.883	10	20	CDCD	
COC(=O)N1CCC(NCc2cccc(OC)c2O)CC1	237255008	WPEMNSITXWZNHN-UHFFFAOYSA-N	294.351	1.721	10	20	CDCD	
CN1CCN(C)[C@@H](CN[C@H]2CCc3cccc(O)c32)C1	297704443	MNNHOLIODUWJDY-KBPBESRZSA-N	275.396	1.215	10	20	CDCD	
O=C(NCc1ccc(N2CCOCC2)cc1)NC1CCC1	264365720	GKJQRAHEZRAJDU-UHFFFAOYSA-N	289.379	1.875	10	20	CDCD	
Cc1cccc(CN2CC[C@@H](N3CCCC3=O)C2)c1O	276784337	JWEYWMKALRUUEB-CQSZACIVSA-N	274.364	1.897	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)NCC(=O)NC(C)C)c1	273438497	XTUMRDDDUSUCQG-JTQLQIEISA-N	294.351	1.354	10	20	CDCD	
Cn1nccc1N1CCC[C@H](NCc2ccccc2O)C1	278295468	CFNCWHKLYPJYLX-AWEZNQCLSA-N	286.379	1.884	10	20	CDCD	
CC[C@@H](NC[C@@H](O)c1cnn(C)c1)c1ccccc1O	274878200	HANRRHPEPQRAKC-UKRRQHHQSA-N	275.352	1.900	10	20	CDCD	
CN(C)C1(CNC(=O)c2c(F)ccc(O)c2O)CCCC1	276613837	SWRCBBXBVUUYLB-UHFFFAOYSA-N	296.342	1.841	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CCC2(CCO2)CC1	374431083	VPCXKIZVZJEUSM-DUXPYHPUSA-N	289.331	1.893	10	20	CDCD	
CC[C@H](N[C@H]1CC(=O)N(C)C1)c1ccc(F)cc1O	286062702	LMTTXLQBDMWDEC-JQWIXIFHSA-N	266.316	1.803	10	20	CDCD	
COc1ccc(CNC(=O)N[C@@H]2CSC[C@@H]2C)c(O)c1	805790501	AMPNXZGISOQQQL-JOYOIKCWSA-N	296.392	1.952	10	20	CDCD	
COc1ccc(CNC(=O)c2cc(O)cs2)c(OC)n1	812371118	LGCOLSNGKSHQGR-UHFFFAOYSA-N	294.332	1.796	10	20	CDCD	
CC(C)C[C@H](NC(=O)c1cc(O)cs1)C(=O)O	819972552	MBVXIMZIBDPMNB-QMMMGPOBSA-N	257.311	1.683	10	20	CDCD	
O=C1OCCN1[C@H]1CCN(Cc2cc(F)ccc2O)C1	827000845	PUSCQWLMQCLYJJ-LBPRGKRZSA-N	280.299	1.558	10	20	CDCD	
C[C@H](NC(=O)O)C(=O)NCc1c(O)ccc2c1CCCC2	825185811	JDLVOFZBSRRPSE-VIFPVBQESA-N	292.335	1.543	10	20	CDCD	
COc1cccc(O)c1CN1CCC[C@H](n2ccnn2)C1	822502956	BIIUKJUPZZWMIW-LBPRGKRZSA-N	288.351	1.829	10	20	CDCD	
C[C@@H]1CN(Cc2ccc(N(C)C)c(F)c2)C[C@H](C(=O)O)O1	901911423	UCNDIXJQTRJYIG-QMTHXVAHSA-N	296.342	1.566	10	20	CDCD	
Cc1ccc(C(=O)N2CCC(C(=O)O)CC2)c(O)c1O	821064111	TYOOHZCVVSGIDL-UHFFFAOYSA-N	279.292	1.343	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2cnn3ccccc23)c1	734015038	VRBVSRKHMSOFGY-UHFFFAOYSA-N	297.314	1.979	10	20	CDCD	
CCOC(=O)[C@H]1CCN(C(=O)c2c(F)ccc(O)c2O)C1	900703293	HCCJWAKVFJYIQS-QMMMGPOBSA-N	297.282	1.262	10	20	CDCD	
Nc1ccc(NC(=O)C(=O)N2C[C@H]3CCC[C@H]3C2)cc1	906721000	GUIXHCYDXZJTHT-PHIMTYICSA-N	273.336	1.466	10	20	CDCD	
CO[C@@H]1CCC[C@@H](C(=O)NCc2ccc(O)cc2O)C1	910943332	AEFTWEVCBVYPHT-ZWNOBZJWSA-N	279.336	1.919	10	20	CDCD	
CC(C)OC(=O)[C@H](C)NC(=O)c1c(F)ccc(O)c1O	839789407	VXGAWRSAUGPJGC-ZETCQYMHSA-N	285.271	1.307	10	20	CDCD	
Cn1nnc2c1CC[C@H](NCc1ccccc1O)C2	848566633	CTCFNWJVIKKIDG-NSHDSACASA-N	258.325	1.168	10	20	CDCD	
CCS(=O)(=O)N(C)CCN(C)c1ccc(OC)cc1	845988279	SJYRURJNDJCATA-UHFFFAOYSA-N	286.397	1.413	10	20	CDCD	
CN1CCN(Cc2c(O)ccc3ccncc23)CC1=O	844729701	JNYINXYYNBVJDU-UHFFFAOYSA-N	271.320	1.214	10	20	CDCD	
COc1cccc([C@@H](C)NCCN2CCC2)c1O	846157112	JTFWFWLFMRRHPT-LLVKDONJSA-N	250.342	1.757	10	20	CDCD	
C[C@@H](CCN)NC(=O)NCc1ccc(N2CCCC2)cc1	841709087	APTNYPHHFZGXPR-ZDUSSCGKSA-N	290.411	1.823	10	20	CDCD	
Cc1cc(O)c(CN[C@@H]2CCc3c(nnn3C)C2)cc1C	848565250	GRBKZWYRCHZXGT-CYBMUJFWSA-N	286.379	1.785	10	20	CDCD	
Oc1cc2c(cc1CN1CC[C@@]3(CCNC3)C1)OCO2	843120429	KMSFNPDKCZZYBL-OAHLLOKOSA-N	276.336	1.306	10	20	CDCD	
Nc1ccc(Cc2noc(C[C@@H]3CCCO3)n2)cc1	843159525	SBYKCIPAWMLRPY-LBPRGKRZSA-N	259.309	1.964	10	20	CDCD	
COc1cccc(CN[C@H](CCN)C(F)F)c1O	841072921	CUUPTKUMBLEWAZ-SECBINFHSA-N	260.284	1.473	10	20	CDCD	
CC[C@@H](NC[C@@H](O)Cn1ccnn1)c1ccc(C)cc1O	840802357	IBZQLQGRAWXZJK-TZMCWYRMSA-N	290.367	1.394	10	20	CDCD	
CCN1C(=O)C(C)(C)N[C@H]1c1cc(OC)c(OC)cc1O	840837163	GOQVFVRKCXDDQZ-CYBMUJFWSA-N	294.351	1.638	10	20	CDCD	
Cc1ccnc(COC(=O)/C=C\c2ccc(O)c(O)c2)n1	759588316	KKLYIDOILTWPLW-HYXAFXHYSA-N	286.287	1.953	10	20	CDCD	
CCN[C@H](C)C(=O)N1CCN(c2ccc(OC)cc2)CC1	856778433	LUCMVTMQQONQPY-CYBMUJFWSA-N	291.395	1.342	10	20	CDCD	
Cc1ccnn1CC(=O)NCCCSc1nccs1	859351461	FCZFAEWRABNABH-UHFFFAOYSA-N	296.421	1.947	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)N[C@@H](CO)CC2CC2)c1	756770266	VNAAYWAJVUGTDC-ZWNOBZJWSA-N	293.363	1.990	10	20	CDCD	
Nc1ccc(CCNC(=O)NCCc2ccoc2)cc1	851662712	HCJRMWMSDPBDDG-UHFFFAOYSA-N	273.336	1.946	10	20	CDCD	
Cc1cc(C)c(O)c(CN(C)[C@H]2CCN(C)C2=O)c1	754742743	YRRZAROOCNGVDJ-ZDUSSCGKSA-N	262.353	1.672	10	20	CDCD	
CCO[C@@H]1C[C@@H](NC(=O)c2cc(O)cs2)[C@@]12CCCO2	760455151	RUVTUZKDTGQRFM-BZPMIXESSA-N	297.376	1.910	10	20	CDCD	
C[C@@H](C(=O)NCc1cc(Cl)ccc1O)[C@H]1CCC(=O)N1	862130250	DNSUCZAUXJNWJK-LDYMZIIASA-N	296.754	1.577	10	20	CDCD	
CCOc1ccc(CN2CC[S@@](=O)C[C@H](C)C2)c(O)c1	763650791	ZSUFWAZFAXNCCX-MPBGBICISA-N	297.420	1.991	10	20	CDCD	
Cc1noc(NCc2ccc(N3CCN(C)CC3)cc2)n1	777505705	WMDOCXKEWNQVTQ-UHFFFAOYSA-N	287.367	1.742	10	20	CDCD	
Cc1cccc(O)c1CN1C[C@H](N2CCOCC2)C[C@@H]1C	877516019	ARWSHCVQAOHUAI-LSDHHAIUSA-N	290.407	1.996	10	20	CDCD	
Oc1cc2c(nn1)CCN(Cc1ccccc1O)C2	775993777	DFHVMMMFZUGGDL-UHFFFAOYSA-N	257.293	1.446	10	20	CDCD	
Cc1ncncc1C(=O)NC[C@H](N)c1ccc(N(C)C)cc1	1118193250	MECKSGBKWZJKSJ-HNNXBMFYSA-N	299.378	1.281	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NCc1ncccn1	779534510	GVFDPOMPUNWEMR-HWKANZROSA-N	271.276	1.217	10	20	CDCD	
CC(C)CNC(=O)COC(=O)c1cccc(O)c1O	776280673	VZEUBYXRBNPWGD-UHFFFAOYSA-N	267.281	1.027	10	20	CDCD	
COc1cccc(CN[C@H]2C(=O)NCC2(C)C)c1O	895316076	HYOZNIYTSUJRAS-LBPRGKRZSA-N	264.325	1.015	10	20	CDCD	
Oc1c(F)cc(F)cc1CN1CCc2nn[nH]c2C1	895352760	AJBRUUBUVAUEAO-UHFFFAOYSA-N	266.251	1.347	10	20	CDCD	
CCn1nncc1CNCc1ccc(OC)c(OC)c1O	895545823	PIKDFKUXZRVHMT-UHFFFAOYSA-N	292.339	1.311	10	20	CDCD	
CNC(=O)[C@@H]1CCCCN1Cc1cccc(OC)c1O	133051171	DZLQLCXWUMNROF-LBPRGKRZSA-N	278.352	1.501	10	20	CDCD	
CCc1nc(C(=O)NCc2ccc(OC)cc2O)co1	794378775	DQCBNAQVCJWHBU-UHFFFAOYSA-N	276.292	1.881	10	20	CDCD	
CC(C)(C)S(=O)(=O)CCNCc1ccc(N)cc1	1336118663	ZSFCRXHZARLINP-UHFFFAOYSA-N	270.398	1.572	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)N[C@H](C)c2noc(C)n2)c1	1329175440	SWGWFNMZOMHTKN-SECBINFHSA-N	290.323	1.952	10	20	CDCD	
Cc1ccc(C(=O)N2CC[C@@]3(CCOC3=O)C2)c(O)c1O	1347726026	SXROEVZDIGBIMI-OAHLLOKOSA-N	291.303	1.185	10	20	CDCD	
O=C(O)[C@@H]1CCC[C@H]1NCc1ccc2c(c1)CCO2	1608624763	LZQDOSGEYLQSLA-CHWSQXEVSA-N	261.321	1.964	10	20	CDCD	
C/C(=C\CNC(=O)N1Cc2cccc(O)c2C1)C(=O)O	1602973060	OYABRRWDYHKVOK-WEVVVXLNSA-N	276.292	1.448	10	20	CDCD	
Cc1cccc(CN[C@H](CC(F)F)C(=O)O)c1O	1600532230	LHBKZGYNTWFQRP-SECBINFHSA-N	259.252	1.899	10	20	CDCD	
C[C@@H](C(=O)O)C(=O)Nc1c(Cl)ccc2nonc12	1588576077	NPULIYGGDKZEBP-SCSAIBSYSA-N	269.644	1.535	10	20	CDCD	
CC[C@@H](NCC1(C(N)=O)CCOCC1)c1ccccc1O	155108919	NXEMHEVFJKQBBR-CYBMUJFWSA-N	292.379	1.715	10	20	CDCD	
CS(=O)(=O)C1(C(=O)Nc2ccc(N)cc2)CCC1	818556459	SKBQOMBEYVMDJF-UHFFFAOYSA-N	268.338	1.175	10	20	CDCD	
Nc1ccc(CC(=O)NCC[C@@H]2CCCCO2)cc1	223532038	WRMIVMDLVIRCMX-AWEZNQCLSA-N	262.353	1.887	10	20	CDCD	
Cc1cccc(CNCC2(S(C)(=O)=O)CC2)c1O	279703590	RLYUVBYVKMJFMF-UHFFFAOYSA-N	269.366	1.367	10	20	CDCD	
CCn1cc(CNCc2c(O)cccc2Cl)nn1	404424886	XZYPONOYBACOHB-UHFFFAOYSA-N	266.732	1.947	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N2CCC[C@H](O)C2)cc1F	57646600	KJZCHCKTZPDSFW-LBPRGKRZSA-N	295.358	1.558	10	20	CDCD	
C[C@H]1C[C@H](NC(=O)c2cccc(O)c2O)C[C@@H](C)O1	248732329	JTOFEPVLURPWLL-ILWJIGKKSA-N	265.309	1.784	10	20	CDCD	
CCCCN(CC(N)=O)Cc1cc(F)ccc1O	179942370	HRSGTKPRESALFQ-UHFFFAOYSA-N	254.305	1.619	10	20	CDCD	
COc1cc(NCc2cccc(OC)c2O)ncn1	123566944	RSABWGQLDPPNJK-UHFFFAOYSA-N	261.281	1.812	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2cnn(C)c2)cc1F	123460616	YHPCCYQCLAKFEC-UHFFFAOYSA-N	276.315	1.555	10	20	CDCD	
CC(C)N(C)CCNC(=O)/C=C/c1ccc(O)c(O)c1	181079248	MMRYSUOZIIXZCF-FNORWQNLSA-N	278.352	1.567	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2c[nH]c(C#N)c2)c1	181297267	CQIYCJSGQKOWDQ-UHFFFAOYSA-N	271.276	1.531	10	20	CDCD	
CCN(C)C(=O)CNCc1cccc(Cl)c1O	187675829	LLHYSFVIKGJTDX-UHFFFAOYSA-N	256.733	1.614	10	20	CDCD	
Cc1ccc(C(=O)NCCOC(C)C)c(O)c1O	185224059	RWYBAMWFNNCJEM-UHFFFAOYSA-N	253.298	1.561	10	20	CDCD	
Cc1cccc(CN2CCCS(=O)(=O)CC2)c1O	224472922	NIFWZKVHOZANMT-UHFFFAOYSA-N	269.366	1.321	10	20	CDCD	
CCOC(=O)NCCC(=O)NCCc1ccc(N)cc1	236904009	IACRBYFAMYSZTM-UHFFFAOYSA-N	279.340	1.064	10	20	CDCD	
CN1CCCc2cc(CNC(=O)C3(N)CCCC3)ccc21	237128016	LEIKRIRMXPHWGV-UHFFFAOYSA-N	287.407	1.957	10	20	CDCD	
CC(C)[C@@H]1C(=O)NCCN1Cc1ccc(N(C)C)cc1	93054397	CETIEJGSYTZVAP-OAHLLOKOSA-N	275.396	1.709	10	20	CDCD	
COc1cc(O)c(CNCC23CC(CO2)C3)cc1OC	529664625	WFFHDGQJBPONES-UHFFFAOYSA-N	279.336	1.678	10	20	CDCD	
CC[C@@H]1CC[C@@H](C(=O)NCc2cccc(OC)c2O)O1	268221799	JPMKMFVJIVGATB-YPMHNXCESA-N	279.336	1.975	10	20	CDCD	
O=C(NCc1ccccc1O)OC[C@@H]1CCCO1	288344004	XSXKCTOTFWZLIZ-NSHDSACASA-N	251.282	1.797	10	20	CDCD	
CCN(Cc1ccc(N(C)C)c(C)c1)[C@@H]1CCNC1=O	294047860	JEEXVQIQPQDGNI-OAHLLOKOSA-N	275.396	1.771	10	20	CDCD	
CC(C)N(C)C[C@@H](C)NC(=O)NCc1ccccc1O	291378502	ZXXPBFIRDPHRAF-GFCCVEGCSA-N	279.384	1.920	10	20	CDCD	
Nc1ccc(CCNC(=O)[C@@]23CCC[C@@H]2CNC3)cc1	294999891	ICXQAPVNTVYLRK-CZUORRHYSA-N	273.380	1.317	10	20	CDCD	
Cc1cc(C)c([C@@H](C)N[C@@H]2CC(=O)N(C)C2)c(O)c1	293754891	OLUCFPSKDUFODE-VXGBXAGGSA-N	262.353	1.890	10	20	CDCD	
CCOC(=O)c1nn(C)cc1/C=C1\SC(=S)NC1=O	292530099	CGCNJGSGCMHXBX-DAXSKMNVSA-N	297.361	1.086	10	20	CDCD	
C[C@@H]1CN(CCOC(=O)c2cc(O)cs2)CCO1	800167074	ZCKWUQLJWRNKPU-SECBINFHSA-N	271.338	1.331	10	20	CDCD	
COc1ccc(N2CC[C@@H](CNC(=O)[C@H](C)CN)C2)cc1	818613591	UMADWTCFPOJPLW-OLZOCXBDSA-N	291.395	1.233	10	20	CDCD	
C[C@@H](C(=O)O)N(C)C(=O)/C=C/c1ccc(O)c(O)c1	819888375	BXTZCUPNSYPWMQ-JQTRYQTASA-N	265.265	1.043	10	20	CDCD	
C[C@@H](NC[C@H]1CCCN1)c1cc([N+](=O)[O-])ccc1O	817952909	WMLKBMPAQBQWQY-NXEZZACHSA-N	265.313	1.703	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCN(C(=O)C2CC2)C1	817770496	VQBJSDRYYPDKKJ-UHFFFAOYSA-N	266.322	1.106	10	20	CDCD	
CCN1C[C@@H](NCc2cc(OC)c(OC)cc2O)CC1=O	824887039	OWXDASCVAYTKGS-NSHDSACASA-N	294.351	1.120	10	20	CDCD	
O=C(NCCCSc1nccs1)[C@@H]1C[C@]12CCNC2	829528057	KAOHPPWJYGOKNK-GWCFXTLKSA-N	297.449	1.741	10	20	CDCD	
CCN1C[C@H](NCc2c(O)ccc(Cl)c2F)CC1=O	824886641	GQPIOAGYGMUIPK-MRVPVSSYSA-N	286.734	1.895	10	20	CDCD	
CN1CCN(c2ccc(CN[C@H]3C[C@@H](O)C3)cc2)CC1	825256495	ACZZVOULPMUVNT-FZNQNYSPSA-N	275.396	1.051	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)c1ccc(-c2nn[nH]n2)[nH]1	825980549	DYSWVRVMNCJSCN-UHFFFAOYSA-N	298.306	1.173	10	20	CDCD	
CO[C@H](C(=O)N[C@H](C)c1ccccc1O)c1cnn(C)c1	827946777	RJIZIORUWGYACW-YGRLFVJLSA-N	289.335	1.691	10	20	CDCD	
C[C@@]1(C(=O)O)CCN(Cc2cc3c(cc2O)OCO3)C1	828029034	NLRWSJKZMMKFNQ-CQSZACIVSA-N	279.292	1.418	10	20	CDCD	
CCCN1CCCN(C(=O)Cc2ccc(N)cc2)CC1=O	832128614	JDQGBJRDTAVJOF-UHFFFAOYSA-N	289.379	1.282	10	20	CDCD	
C[C@H](CNC(=O)Cc1ccc(N)cc1)N1CCCCC1=O	832166050	GXPCXFVBIDQNSJ-GFCCVEGCSA-N	289.379	1.329	10	20	CDCD	
CCC1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C1	837262001	UMMNKZJYFMRBBZ-UHFFFAOYSA-N	298.364	1.246	10	20	CDCD	
CC[C@](C)(NC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)O	833639130	ZBRAHPUYJDHJQQ-VSKVDJIOSA-N	279.292	1.481	10	20	CDCD	
Nc1ccc(CC(=O)N2CCC[C@H](n3ccnn3)C2)cc1	831760399	ZUDIRWIYYABABK-AWEZNQCLSA-N	285.351	1.267	10	20	CDCD	
Cc1ccc(C(=O)NCC(C)(C)C(C)(C)O)c(O)c1O	837094171	PWWYQFYXAMAWHM-UHFFFAOYSA-N	281.352	1.933	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)CCNC(=O)O)cc1	737088235	HELPKAZJWLJNRZ-UHFFFAOYSA-N	293.367	1.807	10	20	CDCD	
COc1ccc(O)c(CNC(=O)NC[C@@H]2CC[C@H](C)O2)c1	838475190	YKSGRTLPEIGTDC-GWCFXTLKSA-N	294.351	1.768	10	20	CDCD	
COc1cccc([C@H](C)NCCC(=O)N(C)C)c1O	846143340	ZOWODVCTQIDTHK-JTQLQIEISA-N	266.341	1.530	10	20	CDCD	
CCCC[C@@H](CN)NC(=O)NCCc1ccc(N)cc1	841956115	VOFLZKKQLRHMOJ-AWEZNQCLSA-N	278.400	1.628	10	20	CDCD	
CC(C)NC(=O)OC1CN(C(=O)Nc2ccc(N)cc2)C1	841298756	FNKKIBINRBZAAU-UHFFFAOYSA-N	292.339	1.620	10	20	CDCD	
COc1ccc(CN[C@@H](CO)[C@H]2CCCOC2)cc1C	840962925	OFAIIKXXJPZSNS-GJZGRUSLSA-N	279.380	1.881	10	20	CDCD	
COCCONC(=O)NCc1ccc(N(C)C)cc1	748994389	JHMYTTOMCODXQW-UHFFFAOYSA-N	267.329	1.130	10	20	CDCD	
CCCOC(=O)CCNC(=O)Nc1ccc(N)cc1	841298566	BMLUYMVPZYNVLJ-UHFFFAOYSA-N	265.313	1.734	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CN2CC[C@H]3C[C@H]3C2)cc1	852634585	IDTAUOPMFHHOOZ-GJZGRUSLSA-N	287.407	1.711	10	20	CDCD	
COC(=O)N(C)CCN[C@H](C)c1cc([N+](=O)[O-])ccc1O	850548490	SOKCQSFMAIHCJN-SECBINFHSA-N	297.311	1.649	10	20	CDCD	
Cc1ccc([C@@H](C)N[C@H](C)CC(N)=O)c(O)c1C	756662268	ZNHIRPAPSPTUMK-MWLCHTKSSA-N	250.342	1.924	10	20	CDCD	
C[C@H](Nc1cnn(CCO)c1)c1cc([N+](=O)[O-])ccc1O	756855064	LECPMOKACWPCJB-VIFPVBQESA-N	292.295	1.662	10	20	CDCD	
O=C(O)c1ccc(C(=O)NCc2ccccc2O)nc1	833311158	ASYSMOCAWSMWDQ-UHFFFAOYSA-N	272.260	1.415	10	20	CDCD	
CCCN(CC(=O)NC)Cc1ccc(OCC)cc1O	769001203	ZTMPMGNEZZFBAX-UHFFFAOYSA-N	280.368	1.749	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2cncnc2)cc1F	760550057	LUHOVRHSXRMWRB-UHFFFAOYSA-N	274.299	1.612	10	20	CDCD	
CCCCN(CC(N)=O)Cc1ccc(N(C)C)c(F)c1	768868659	PHEBQRWUBYGHKN-UHFFFAOYSA-N	281.375	1.979	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NCCCN1CCCC1	779488439	GBDVQXRHQBMVDF-FNORWQNLSA-N	290.363	1.713	10	20	CDCD	
CCNC(=O)NC(=O)CN[C@@H](C)c1ccc(N(C)C)cc1	775835575	VAIKWIFHHFQDNJ-NSHDSACASA-N	292.383	1.249	10	20	CDCD	
COc1cccc(CNC(=O)[C@@H](OC)C(C)C)c1O	771417855	OJWYNFKMHDPSJL-ZDUSSCGKSA-N	267.325	1.688	10	20	CDCD	
CC[C@@H]1C(=O)NCCN1Cc1cc(Cl)cc(F)c1O	775676586	UULKVULMOIYZMH-LLVKDONJSA-N	286.734	1.895	10	20	CDCD	
Cc1ccc(CNCCOC[C@H]2CCOC2)c(O)c1	877008179	MHZGNECRODYOMA-ZDUSSCGKSA-N	265.353	1.843	10	20	CDCD	
CNC(=O)[C@H](CCSC)NCc1ccc(C)cc1O	877536353	ZTAHKBBGFVLYHJ-LBPRGKRZSA-N	282.409	1.658	10	20	CDCD	
CO[C@H]1CN[C@](C)(C(=O)N[C@H](C)c2ccccc2O)C1	877256307	RWRAECOVKOGFTJ-HFAKWTLXSA-N	278.352	1.336	10	20	CDCD	
CN(C)c1cnc(C(=O)NCc2ccccc2O)cn1	779675554	FXISZIOSQLZDLU-UHFFFAOYSA-N	272.308	1.178	10	20	CDCD	
Cn1cncc1CCNC(=O)/C=C\c1ccc(O)c(O)c1	773830909	PKFVKEZAIBAMEZ-HYXAFXHYSA-N	287.319	1.203	10	20	CDCD	
Cc1noc(NCc2ccc(N3CCOCC3)c(F)c2)n1	777505650	URCSCZGBBXIXRL-UHFFFAOYSA-N	292.314	1.966	10	20	CDCD	
COCCC(=O)NCCNCc1ccc(OC)c(C)c1	1122409968	ZIBACHQKJPIJEH-UHFFFAOYSA-N	280.368	1.246	10	20	CDCD	
C[C@@H](NC(=O)N[C@H](CN)C1CC1)c1ccccc1O	892027990	OXTBUVMIDRSQMF-BXKDBHETSA-N	263.341	1.490	10	20	CDCD	
COc1ccc(CN2CC[C@@H](C)[C@H]2CO)c(O)c1OC	893908234	UKENHUCVLVAFSV-ZYHUDNBSSA-N	281.352	1.612	10	20	CDCD	
CCOC(=O)[C@H]1CCN(Cc2cc(OC)ccc2O)C1	896960118	IFRXHDPEMZUGHT-NSHDSACASA-N	279.336	1.786	10	20	CDCD	
Oc1cc(F)c(Cl)cc1CNC[C@@H]1COCO1	894881537	NPGVWYVPPGDMGP-MRVPVSSYSA-N	261.680	1.647	10	20	CDCD	
O=C(N[C@@H](CO)c1cccc(F)c1)c1cccc(O)c1O	790916975	OWAXMBZPDZDDGL-LBPRGKRZSA-N	291.278	1.700	10	20	CDCD	
CCc1nnsc1C(=O)NCc1ccccc1O	133761324	DFCSYIKTNIOCGM-UHFFFAOYSA-N	263.322	1.736	10	20	CDCD	
CC1(C(=O)O)CC(NCc2ccc3c(c2)CCO3)C1	1776497004	MTAFYMBVTLHPEJ-UHFFFAOYSA-N	261.321	1.964	10	20	CDCD	
COc1ccc(N2CCN(C[C@@H]3CCCO3)CC2)cc1	72710819	RGOFAWFTNVDWGK-INIZCTEOSA-N	276.380	1.996	10	20	CDCD	
COCCO[C@@H]1CCN(Cc2ccccc2O)C1	188825966	MDZLIVOWKDLYED-CYBMUJFWSA-N	251.326	1.630	10	20	CDCD	
CN1CCN(c2ccc(CN[C@H]3CCNC3)cc2F)CC1	1327387256	QAHLQILBFFAFBM-AWEZNQCLSA-N	292.402	1.029	10	20	CDCD	
Nc1ccc(CC(=O)NCc2nncn2C2CC2)cc1	1332125061	MZNFSPYCRJVELF-UHFFFAOYSA-N	271.324	1.054	10	20	CDCD	
Nc1ccc(CNC(=O)N2CCC[C@@H]3COC[C@@H]32)cc1	1338793505	QRUDFSZPMLMGEJ-OCCSQVGLSA-N	275.352	1.589	10	20	CDCD	
C[C@@H](NC(=O)NCc1ccc(N)cc1)[C@H]1CCOC1	1357240697	CWXPIESQYKZFGV-PWSUYJOCSA-N	263.341	1.493	10	20	CDCD	
C[C@@H]1CC[C@@H](CNC(=O)NCc2ccc(N)cc2)O1	1357434382	JEVWVOAFTDMTOB-MFKMUULPSA-N	263.341	1.636	10	20	CDCD	
CC[C@@H](O)[C@H](C)C(=O)NCc1cccc(O)c1O	1350299907	KPPALHKXKFLWIW-WCBMZHEXSA-N	253.298	1.121	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NCCC[S@](C)=O)c1	1354074016	MLFVLJAZSNGJEN-IBGZPJMESA-N	284.381	1.268	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)N[C@H]2CC[C@@H](C(=O)O)C2)c1	1594373189	HEYBSJXHNYFUBE-PWSUYJOCSA-N	292.335	1.753	10	20	CDCD	
O=S1(=O)CC[C@H](NCc2cc(Cl)ccc2O)C1	19900170	PPYZWOWTFPXCNY-JTQLQIEISA-N	275.757	1.322	10	20	CDCD	
C[C@H]1CN(C(=O)/C=C/c2cnn(C)c2)c2cccnc2O1	158592070	STOMAJQNKMICDM-QRGHLMKCSA-N	284.319	1.642	10	20	CDCD	
O=C1NCCC[C@H]1CNCc1cc(Cl)ccc1O	839195367	HTDYDJBOZQKJLF-VIFPVBQESA-N	268.744	1.661	10	20	CDCD	
CC[C@H]1CN(Cc2cc(OC)ccc2O)CC[C@@H]1N	122292059	VBMWMOFDSJSMRZ-FZMZJTMJSA-N	264.369	1.960	10	20	CDCD	
COCC[C@@H](CO)NCc1ccc(N2CCCC2)cc1	312158507	KUPOWPBMJWNCIW-HNNXBMFYSA-N	278.396	1.774	10	20	CDCD	
CCc1cccc(CNC[C@@H]2CCS(=O)(=O)C2)c1O	709431861	NTTKNOSMOPQAJH-NSHDSACASA-N	283.393	1.479	10	20	CDCD	
O=C(O)[C@@]12CCOC[C@@H]1CN(Cc1ccccc1O)C2	715863206	IAVJMRZDHSMIRJ-SWLSCSKDSA-N	277.320	1.315	10	20	CDCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2NCC1(CO)COC1	717617356	VNYDFSVTQQQZBQ-VXGBXAGGSA-N	277.364	1.847	10	20	CDCD	
COc1cc(N2C[C@H](C)[C@H](O)C2)c([N+](=O)[O-])cc1OC	387894036	QFXVCYHMWQDXHV-GZMMTYOYSA-N	282.296	1.429	10	20	CDCD	
C[C@@H](NC[C@H]1CNC(=O)C1)c1ccc(N(C)C)cc1	398350883	ZSJNTGAJNXYMNY-NEPJUHHUSA-N	261.369	1.539	10	20	CDCD	
Cc1cc(C(=O)NCC[C@@H](C)N)c(C)n1-c1ccccn1	178674873	VBJWIWYGCUTZNF-LLVKDONJSA-N	286.379	1.956	10	20	CDCD	
O=C(NCCCSc1nccs1)c1csnn1	114374644	JSMAZCDMGRGVST-UHFFFAOYSA-N	286.407	1.907	10	20	CDCD	
COc1cc(O)c(CN2CCCC[C@@H]2C(N)=O)cc1OC	179581560	HCRDVLCNOVTZKA-LLVKDONJSA-N	294.351	1.249	10	20	CDCD	
CC[C@H](Sc1ncc(C(=O)OC)s1)C(=O)O	1589585163	NGLWCTAICBLAJP-YFKPBYRVSA-N	261.324	1.885	10	20	CDCD	
Cc1cccc(CN2CC[C@@H](CN3CCOCC3)C2)c1O	180453176	KBOFTHMFHXOPOG-HNNXBMFYSA-N	290.407	1.855	10	20	CDCD	
CCN1CCCN(Cc2cc(OC)c(C)cc2O)CC1=O	189203737	ZUBMHEXYLLDUBD-UHFFFAOYSA-N	292.379	1.763	10	20	CDCD	
O=C1N[C@@H](c2cc3c(cc2O)OCO3)Nc2ccccc21	121379906	GNVNVLRSRHSGTD-AWEZNQCLSA-N	284.271	1.975	10	20	CDCD	
Cn1nnc2cc(C(=O)NCc3ccc(O)c(O)c3)ccc21	182511868	JSZUQADOCAZLIO-UHFFFAOYSA-N	298.302	1.310	10	20	CDCD	
O=C1NCCCC[C@@H]1NCc1cccc(Cl)c1O	124697314	KWIYSYOKMSDLHF-NSHDSACASA-N	268.744	1.804	10	20	CDCD	
CC(C)n1cnnc1CNC(=O)c1cccc(O)c1O	188421047	KJBHWKXFWNADHN-UHFFFAOYSA-N	276.296	1.200	10	20	CDCD	
COc1cccc(CN2CCOC[C@]23CCOC3)c1O	195013816	RSQSJXCPVFAFBG-OAHLLOKOSA-N	279.336	1.392	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CCc2c[nH]cn2)cc1F	193006987	MZMAHSKLUZUIBN-UHFFFAOYSA-N	290.342	1.864	10	20	CDCD	
COc1ccc(N2CCN(Cc3cc[nH]n3)CC2)cc1F	91923708	FBXAPFJFPDFBME-UHFFFAOYSA-N	290.342	1.880	10	20	CDCD	
CC1(C)C(=O)NCCN1Cc1cc(Cl)ccc1O	93084527	OPHUQUQMVBAORQ-UHFFFAOYSA-N	268.744	1.756	10	20	CDCD	
CCOc1ccc(O)c(CN2CC[C@](F)(C(=O)OC)C2)c1	93888125	QQTGWGKDWJDOPW-OAHLLOKOSA-N	297.326	1.878	10	20	CDCD	
COc1ccc(CNC(=O)NCC23CC(CO2)C3)c(O)c1	528232776	FAFZGJHLLUFQSY-UHFFFAOYSA-N	292.335	1.379	10	20	CDCD	
C[C@@H](NC(=O)C(C)(C)C)C(=O)NCc1ccccc1O	299581741	RHWZAZJSFZPQTR-SNVBAGLBSA-N	278.352	1.559	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)[C@@H]1CCCOC1	269139184	ZDCHRGRDSXOTQD-SNVBAGLBSA-N	251.282	1.141	10	20	CDCD	
CCC(C)(C)N[C@@H](C)C(=O)NCCc1ccc(O)c(O)c1	273222649	PQZWUIXZWFUGOU-NSHDSACASA-N	294.395	1.923	10	20	CDCD	
Cc1ccc([C@@H](C)NCc2nncn2C)c(O)c1C	273403633	NVLRDKXPWYICJI-LLVKDONJSA-N	260.341	1.988	10	20	CDCD	
CC(C)OC[C@@H]1CN(C(=O)c2cccc(O)c2O)CCO1	369130116	KWXVLKIZWNFXLF-NSHDSACASA-N	295.335	1.364	10	20	CDCD	
C[C@H]1CN(Cc2ccc(N(C)C)cc2)C[C@@H](C)S1(=O)=O	289696481	XTHBTUJNYAYVNK-BETUJISGSA-N	296.436	1.760	10	20	CDCD	
COc1cc(O)c(CN2CC(=O)NCC2(C)C)cc1OC	282716744	LGCLVBCKFFTAJM-UHFFFAOYSA-N	294.351	1.120	10	20	CDCD	
OC[C@@H](CNCc1cccc(Cl)c1O)[C@H]1CCOC1	280793322	HQNPIQHTYVEJLB-NWDGAFQWSA-N	285.771	1.780	10	20	CDCD	
CC[C@@H]1NCC[C@@H]1C(=O)NCc1ccc(N(C)C)c(F)c1	289481546	BXKAPHRGPXDDAA-JSGCOSHPSA-N	293.386	1.896	10	20	CDCD	
Cn1cc(CCC(=O)NCc2ccccc2O)cn1	299538465	IOXQHEJNLCPGMG-UHFFFAOYSA-N	259.309	1.375	10	20	CDCD	
CCCCN1CC(=O)N[C@@H]1c1ccc(N(C)C)cc1	298795574	SRKVTPVZNXSBNV-HNNXBMFYSA-N	261.369	1.983	10	20	CDCD	
C[C@@]1(NCc2cc(Cl)c(F)cc2O)CCOC1=O	293808590	DWASBJDXQKCRGN-GFCCVEGCSA-N	273.691	1.980	10	20	CDCD	
O=C(NCCCSc1nccs1)N1CCO[C@@H]2C[C@H]21	813681869	UTOCNTHDVPWBBV-NXEZZACHSA-N	299.421	1.808	10	20	CDCD	
Cc1ccc([C@H](C)NC[C@H]2CNCCCO2)c(O)c1	817981028	GCVNMVAFMUWHPA-QWHCGFSZSA-N	264.369	1.730	10	20	CDCD	
CN(C[C@@H]1CCCN1C)C(=O)NCCc1ccc(N)cc1	817878004	LJAYXHSWDVXFML-HNNXBMFYSA-N	290.411	1.547	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)C[C@@H]2CC(=O)N2)cc1	822606896	BTDWAFRCSXOUKG-CYBMUJFWSA-N	289.379	1.428	10	20	CDCD	
Cc1cc(O)c(CN(C)CC(=O)N(C)C)cc1Cl	824528965	DWIGFLHQTPQUDI-UHFFFAOYSA-N	270.760	1.874	10	20	CDCD	
CN1CCCc2cc(CNC(=O)[C@@H]3[C@H]4CCC(=O)[C@H]43)ccc21	906456007	WXPLWFOTGCJDBX-RRQGHBQHSA-N	298.386	1.910	10	20	CDCD	
CCN(C)c1ccc(CN2CC[C@H](O)[C@H](CO)C2)cc1	839665042	GIYRMOQGITZBDP-HOCLYGCPSA-N	278.396	1.318	10	20	CDCD	
CN(C)CC(C)(C)NC(=O)/C=C/c1ccc(O)c(O)c1	837239141	KZGSDRGMYICGEV-SOFGYWHQSA-N	278.352	1.567	10	20	CDCD	
CCOCc1cc(CN[C@H]2CNOC2)ccc1OC	904426780	IKVYITMLIZOFAA-ZDUSSCGKSA-N	266.341	1.225	10	20	CDCD	
Nc1ccc(CC(=O)NCC2CCN(C3CC3)CC2)cc1	832173227	OOONCNFEOILSKD-UHFFFAOYSA-N	287.407	1.802	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1[C@H]2C(=O)CC[C@H]21	906713694	FEBFJABRFQNTKL-FVQBIDKESA-N	286.375	1.902	10	20	CDCD	
Cc1cc(NC(=O)[C@@H](C)OC(=O)c2cc(O)cs2)on1	731911980	PEYBILFFZGQWKP-SSDOTTSWSA-N	296.304	1.934	10	20	CDCD	
CC(=O)NCC1CCN(C(=O)c2cc(O)cs2)CC1	732277193	CYURHVCVBWYTAS-UHFFFAOYSA-N	282.365	1.442	10	20	CDCD	
COc1cccc(CNC(=O)[C@@H]2CC[C@@H]2C(=O)O)c1O	911336310	DYLFGOXUKUIBTA-ZJUUUORDSA-N	279.292	1.128	10	20	CDCD	
C[C@H](N)CN(C)Cc1ccc(N2CCOCC2)cc1	844221128	VZQXRHARQQFHGG-ZDUSSCGKSA-N	263.385	1.302	10	20	CDCD	
c1cc2c(cc1CN[C@@H]1CC13CCNCC3)CCO2	841081161	XDGWDWNULFVWQD-OAHLLOKOSA-N	258.365	1.853	10	20	CDCD	
CN[C@H]1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2O)C1	843045198	PAIOWJANQKLMQF-JTQLQIEISA-N	285.731	1.748	10	20	CDCD	
COc1cc(O)c(CN2CC[C@@H]3CNC[C@@H]32)cc1OC	841026523	GSHODGPBTPPQBX-PWSUYJOCSA-N	278.352	1.203	10	20	CDCD	
CCOc1ccc(CNC[C@H](N)C(C)C)c(O)c1	841028485	HHQNRTVAOPQSSY-ZDUSSCGKSA-N	252.358	1.864	10	20	CDCD	
COC(=O)[C@H]1C[C@H](O)CN(Cc2cc(C)ccc2O)C1	843434047	GYWKOMBIHCKWRI-STQMWFEESA-N	279.336	1.056	10	20	CDCD	
COc1cccc([C@@H](C)NCCNC(=O)C2CC2)c1O	846135054	AJLLGVMANNBJDA-SNVBAGLBSA-N	278.352	1.578	10	20	CDCD	
COc1cccc(CN2CCC3(CC2)COC(=O)N3)c1O	753587870	WQMLBWUAQBPJHY-UHFFFAOYSA-N	292.335	1.475	10	20	CDCD	
CN(C)c1ccc(CNc2cncc(-n3cncn3)n2)cc1	920257129	WOQOABGSUOGZBM-UHFFFAOYSA-N	295.350	1.735	10	20	CDCD	
CC(C)(NC(=O)c1cc(O)cs1)c1ncc[nH]1	854841949	QLLFOVIFDIBMQD-UHFFFAOYSA-N	251.311	1.842	10	20	CDCD	
CCc1noc([C@H](C)OC(=O)c2cccc(O)c2O)n1	758561791	MQCXIBPCVVWJBY-ZETCQYMHSA-N	278.264	1.961	10	20	CDCD	
CC[C@@H](COC)NC(=O)NCc1cc(C)ccc1O	858240990	WFWXOOIBAOYPHG-LBPRGKRZSA-N	266.341	1.925	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)CCNC(=O)C(C)(C)C)c1	862759476	GHXUOIQHZYGWAX-UHFFFAOYSA-N	292.379	1.869	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@@]2(O)CCSC2)c1	862758103	OQEUMNBDGBSCQT-CYBMUJFWSA-N	267.350	1.185	10	20	CDCD	
C[C@H](NS(=O)(=O)c1ncc[nH]1)c1ccc(N(C)C)cc1	867125054	HCZZNHSNCFSDNB-JTQLQIEISA-N	294.380	1.515	10	20	CDCD	
Cc1cc(NC(=O)NCc2ccccc2O)c(=O)n(C)c1	766190908	GXIIEFWIRUNJQO-UHFFFAOYSA-N	287.319	1.721	10	20	CDCD	
CN(C(=O)[C@H]1CNCCC1(F)F)c1ccc(N)cc1	877077481	JZUMQZSHCKMXSN-LLVKDONJSA-N	269.295	1.476	10	20	CDCD	
CN(C(=O)Cc1nnn(C(C)(C)C)n1)c1ccc(N)cc1	877074957	WHPIECRSSAMRPN-UHFFFAOYSA-N	288.355	1.216	10	20	CDCD	
COCCS(=O)(=O)N[C@H](C)c1ccc(N(C)C)cc1	773083343	FXTXJOQEFWBNBY-LLVKDONJSA-N	286.397	1.379	10	20	CDCD	
COc1cccc(O)c1CN(C)CCNC(=O)C(C)C	770378400	FGXWSWPDVQPJMF-UHFFFAOYSA-N	280.368	1.605	10	20	CDCD	
CCN(C)c1ccc(CN2CCCC[C@H]2C(N)=O)cc1	773730405	GROFZFFEDWHKHY-HNNXBMFYSA-N	275.396	1.983	10	20	CDCD	
Nc1ccc(CNC(=O)N[C@H]2CCC[C@@H]2CCO)cc1	1120617895	IOFSVALNXPVORT-OCCSQVGLSA-N	277.368	1.619	10	20	CDCD	
CCOc1ccc(CN2CCN(C(C)C)C(=O)C2)c(O)c1	780793590	RZYKVBWEZBJTFN-UHFFFAOYSA-N	292.379	1.844	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NS(=O)(=O)C2CCC2)c1	881920208	YWGKOGXUGXKPSU-SECBINFHSA-N	285.365	1.934	10	20	CDCD	
Cc1cnc(CNCc2ccc(N3CCN(C)CC3)cc2)[nH]1	883283750	RKVATEDWSIMIAI-UHFFFAOYSA-N	299.422	1.760	10	20	CDCD	
COc1cc(Cl)cc(CN[C@@H]2C(=O)NCC2(C)C)c1O	895326100	ZNBZJXNHNKRIPF-GFCCVEGCSA-N	298.770	1.668	10	20	CDCD	
CC[C@@H](NC[C@]1(O)CCOC1)c1ccccc1O	186299853	MRFQEZFFZWZTEZ-TZMCWYRMSA-N	251.326	1.584	10	20	CDCD	
CN(CC(=O)N(C)C)Cc1cc(F)cc(F)c1O	708383303	LGHURDVIDOFPGB-UHFFFAOYSA-N	258.268	1.190	10	20	CDCD	
COCC(C)(C)N1CCN(Cc2ccc(N)cc2)CC1	1336116465	FAYNPTXUMKSIEX-UHFFFAOYSA-N	277.412	1.811	10	20	CDCD	
C[C@H](CN1CCCCC1)NC(=O)NCc1ccc(N)cc1	1335338359	PVAPBJALFKFTFR-CYBMUJFWSA-N	290.411	1.942	10	20	CDCD	
Nc1ccc(CC(=O)NC[C@H](CC(=O)O)C2CC2)cc1	690498671	DIODCNDOIHGFIO-LBPRGKRZSA-N	276.336	1.428	10	20	CDCD	
CN(Cc1ccn(C)n1)C(=O)c1cc(O)cs1	1337542269	CQRQZISARQZYQX-UHFFFAOYSA-N	251.311	1.459	10	20	CDCD	
O=C(C[C@@H]1CCCOC1)NCc1cccc(O)c1O	1349079213	MFRPNRCBSCTITN-JTQLQIEISA-N	265.309	1.531	10	20	CDCD	
CN1CCN(c2ccc(CNC(=O)[C@H]3C[C@H]3F)cc2)CC1	1528572924	XHFSDOHSUYAZII-LSDHHAIUSA-N	291.370	1.413	10	20	CDCD	
O=C(N[C@H]1CCCNC1)c1cc2cc(O)c(O)cc2s1	1580608217	RQQYTHBWWNYDLE-VIFPVBQESA-N	292.360	1.794	10	20	CDCD	
Cn1ncc([N+](=O)[O-])c1NC(=O)Cc1ccc(N)cc1	1580008880	DYZXITFNJGHXEM-UHFFFAOYSA-N	275.268	1.092	10	20	CDCD	
CCc1cccc(CN[C@H]2CCN(CCOC)C2)c1O	848896721	HUWTVMXEUOHECC-HNNXBMFYSA-N	278.396	1.765	10	20	CDCD	
COCC[C@](C)(O)CNCc1ccc(OC)c(C)c1	227216201	OWXZOVQQKPCQJH-HNNXBMFYSA-N	267.369	1.881	10	20	CDCD	
COc1cccc(CNC[C@]2(O)CCO[C@H]2C)c1O	227968621	OBDGPBVOEZQIGP-IINYFYTJSA-N	267.325	1.030	10	20	CDCD	
Cc1cccc(CN(C)CC(=O)N2CCCC2)c1O	124520418	KVXGKHZXXOHWAP-UHFFFAOYSA-N	262.353	1.755	10	20	CDCD	
CCN(CC)c1ccc(CN[C@H]2CC(=O)N(C)C2)cc1	263774878	UHKJVYCQXWCNFY-AWEZNQCLSA-N	275.396	1.853	10	20	CDCD	
CNC(=O)CCCN[C@H](C)c1cc(OC)ccc1O	273605189	TYIAKBJONUSJDC-SNVBAGLBSA-N	266.341	1.578	10	20	CDCD	
CN(C)C[C@@H]1CCN(C(=O)c2cccc(O)c2O)C1	189563236	PIZRJKKKZUQRHE-JTQLQIEISA-N	264.325	1.122	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](N)CC1CC1	312305109	XUDKSGZSNZBISL-HNNXBMFYSA-N	275.396	1.838	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NCCn2cncn2)c1	394320052	CSNAPIBNGNBYMB-SNVBAGLBSA-N	262.313	1.343	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(O)nc1	186409235	FIODCSNVUAHYOV-SECBINFHSA-N	288.303	1.559	10	20	CDCD	
COc1cc(O)c(CN2CC[C@](C)(O)C2)cc1OC	180634224	OKRCYRHCTOHPMZ-AWEZNQCLSA-N	267.325	1.366	10	20	CDCD	
CC[C@H](C(=O)NCc1ccc(O)c(O)c1)N(C)C	182513793	MQWJGIGGQHHRJY-SNVBAGLBSA-N	252.314	1.054	10	20	CDCD	
CCOc1ccc(O)c(CNCC2(C(=O)OC)CC2)c1	188684167	QBPHGTQDIOWSAS-UHFFFAOYSA-N	279.336	1.834	10	20	CDCD	
CCCCN(CCCO)C(=O)c1cccc(O)c1O	193152986	YDUIPEGTFNCIPQ-UHFFFAOYSA-N	267.325	1.723	10	20	CDCD	
CCOc1cccc(CN(C)C[C@H](C)C(=O)O)c1O	86807927	CBMMUNBNRZONQU-JTQLQIEISA-N	267.325	1.943	10	20	CDCD	
CCNC(=O)CN1CCN(c2ccc(OC)c(F)c2)CC1	84963935	XINSPKIHFYHBOB-UHFFFAOYSA-N	295.358	1.092	10	20	CDCD	
CCCN(CCN1CCNC1=O)Cc1ccccc1O	290264242	KWNCZLZQMUUHTC-UHFFFAOYSA-N	277.368	1.629	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NCCCCCO)cc1F	193063876	OMXVCBOGMLYAPM-UHFFFAOYSA-N	297.374	1.854	10	20	CDCD	
COCCN(Cc1cc(C)ccc1O)[C@H](C)C(N)=O	93139190	DZNVPIUPHKMUGT-LLVKDONJSA-N	266.341	1.023	10	20	CDCD	
Cc1ccc(O)c(CN2CCN(C[C@H]3CCOC3)CC2)c1	93817928	YUBHFKRTUWZELO-OAHLLOKOSA-N	290.407	1.855	10	20	CDCD	
CCN(Cc1nc(N)nc(N)n1)c1ccc(OC)cc1	266767687	VZQSWCPSTRCSHX-UHFFFAOYSA-N	274.328	1.071	10	20	CDCD	
C[C@@H](NC[C@H](O)CN1CCCC1)c1ccc(N(C)C)cc1	268872100	VKPDAWULDYRDIF-PBHICJAKSA-N	291.439	1.860	10	20	CDCD	
CC(C)c1ncncc1C(=O)NCc1ccc(O)c(O)c1	272275486	DYQHIRPFTCOTDA-UHFFFAOYSA-N	287.319	1.941	10	20	CDCD	
COc1cccc(CN[C@@H](C)Cn2cncn2)c1O	725849154	JFSOWZDGRCSWJL-JTQLQIEISA-N	262.313	1.171	10	20	CDCD	
COC(=O)c1cnc(S[C@H]2CCCCNC2=O)s1	829686927	ASWZPLFGAWILSY-ZETCQYMHSA-N	286.378	1.691	10	20	CDCD	
O=C1CCCN1C[C@@H]1CCN(Cc2ccccc2O)C1	827634716	ZQJAOYMSDWFMAI-CYBMUJFWSA-N	274.364	1.837	10	20	CDCD	
COCC1(C)CN(Cc2ccc(N3CCOCC3)cc2)C1	839144909	CLLIGMYHYSNUBL-UHFFFAOYSA-N	290.407	1.992	10	20	CDCD	
CN(C)c1ccc(CN2CCOC[C@@H]2C(=O)O)cc1F	901989791	XXGORUDLGVTJLE-CYBMUJFWSA-N	282.315	1.177	10	20	CDCD	
COc1ccc(O)c(CN(C)[C@@H](COC(C)C)C(=O)O)c1	833733798	QMIBEVDXHZGPMG-ZDUSSCGKSA-N	297.351	1.711	10	20	CDCD	
O=C(Nc1ccc2c(c1)C(=O)NC2)c1cc(O)cs1	732279481	QDLAMJYUCWLYAA-UHFFFAOYSA-N	274.301	1.949	10	20	CDCD	
CC(C)CC(=O)OCC(=O)c1ccc(O)c(O)c1	916590100	JFKJBTQTDLBJKY-UHFFFAOYSA-N	252.266	1.870	10	20	CDCD	
COC[C@]1(C)CCN(Cc2cc3c(cc2O)OC[C@H]3O)C1	840103986	JBGBAZJXCSLYTJ-GDBMZVCRSA-N	293.363	1.676	10	20	CDCD	
C[C@H](N)C[C@H](C)NCc1cc2c(cc1O)OCO2	843129911	UFNGROQCBLWRMK-IUCAKERBSA-N	252.314	1.336	10	20	CDCD	
NC[C@H]1CCN(Cc2cc(Cl)cc(F)c2O)C1	843048221	BTNVMQPWFBXMQS-MRVPVSSYSA-N	258.724	1.965	10	20	CDCD	
CCc1cccc(CN[C@H](C(N)=O)c2ccccn2)c1O	848914416	MCEDOBXFXYOVQT-AWEZNQCLSA-N	285.347	1.666	10	20	CDCD	
CCOc1ccc(CN2CCO[C@H]([C@H](C)N)C2)c(O)c1	843057040	FOBBUMIEQGLBFN-NHYWBVRUSA-N	280.368	1.339	10	20	CDCD	
C[C@@](O)(C(=O)NCc1ccc(O)cc1O)C1CCC1	910945414	VMKRFNAZQOPQIZ-AWEZNQCLSA-N	265.309	1.265	10	20	CDCD	
COc1cccc([C@@H](C)NCc2cnnn2C)c1O	846169923	HADXFGIZBKNHDZ-SECBINFHSA-N	262.313	1.380	10	20	CDCD	
C[C@@H](NCc1cc2c(cc1O)OCO2)[C@@H]1CCCNC1	841032738	GDEYTIDEZNGSMW-GHMZBOCLSA-N	278.352	1.599	10	20	CDCD	
COc1cccc(CN[C@@H]2CCNC2(C)C)c1O	841087721	VDRPWPYYYGFWJS-GFCCVEGCSA-N	250.342	1.631	10	20	CDCD	
CC(=O)NC1CCC(N(C)C(=O)c2cc(O)cs2)CC1	753520046	DXNGMPZTYISDIY-UHFFFAOYSA-N	296.392	1.973	10	20	CDCD	
CCN1CCOC[C@@H]1C(=O)NCc1ccc(N(C)C)cc1	767162340	ZAOOUJCZVZDNNJ-OAHLLOKOSA-N	291.395	1.090	10	20	CDCD	
CCNC(=O)NC(=O)[C@@H](C)N[C@H](C)c1ccccc1O	879649142	MRCCIYCQHBQJTM-NXEZZACHSA-N	279.340	1.277	10	20	CDCD	
CCCNC(=O)[C@@H](C)OC(=O)/C=C\c1ccc(O)c(O)c1	772773009	AJNGMDJSFPBIHW-ONRRBMGISA-N	293.319	1.569	10	20	CDCD	
COCCO[C@H]1COCC[C@H]1NCc1ccc(C)cc1O	877424335	JAWMVDVEXPXNBG-ZBFHGGJFSA-N	295.379	1.611	10	20	CDCD	
CN1CCN(c2ccc(CNC3CSC3)cc2F)CC1	1120043046	FHPZXPTYUDKCHF-UHFFFAOYSA-N	295.427	1.783	10	20	CDCD	
Cc1noc(COC(=O)c2cccc(O)c2O)n1	776279474	LMVVDWCNMROGHD-UHFFFAOYSA-N	250.210	1.146	10	20	CDCD	
CCN1C[C@H](N[C@@H](C)c2c(O)cccc2F)CC1=O	886619129	TVWPESBOUARPKD-VHSXEESVSA-N	266.316	1.803	10	20	CDCD	
CCOc1ccc(CN2C[C@@H](O)C[C@@H]2C)c(O)c1	788270366	RHNFAEMHKXRDPA-JQWIXIFHSA-N	251.326	1.746	10	20	CDCD	
C[C@H](NC(=O)NCc1ccccc1O)C1=CCN(C)CC1	781370302	IJKBJPAKJIUBMS-LBPRGKRZSA-N	289.379	1.842	10	20	CDCD	
O=C1CC[C@H]2CN(Cc3c(O)cccc3Cl)CCN12	211586930	ZJJYOASEWOVFGR-JTQLQIEISA-N	280.755	1.852	10	20	CDCD	
COc1ccc(CNCc2nnc(C)s2)c(O)c1OC	893479941	ZYVMDMRSQYTNIJ-UHFFFAOYSA-N	295.364	1.859	10	20	CDCD	
COc1ccc(N2CCN(CC[N+](=O)[O-])CC2)cc1	787731438	RZAAZYHQSHBVES-UHFFFAOYSA-N	265.313	1.094	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)c2cnn(C)n2)c1	786408131	FEGSYXCULOYPSK-QMMMGPOBSA-N	276.296	1.020	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC2CCN(C=O)CC2)c1	894501643	DYQNFSMSAUCQLU-LLVKDONJSA-N	278.352	1.672	10	20	CDCD	
COc1cc(C)cc(CNC[C@@H]2CCOC2)c1O	894173011	DIXIBZYLCCZBAY-NSHDSACASA-N	251.326	1.835	10	20	CDCD	
COc1ccc(CNC(=O)c2cc(C)no2)c(O)c1	794382723	FSWMNERTRFWMSA-UHFFFAOYSA-N	262.265	1.627	10	20	CDCD	
Cn1nncc1C(=O)Nc1c(Cl)ccc2nonc12	1323418556	MIPWYBJFESUUAD-UHFFFAOYSA-N	278.659	1.257	10	20	CDCD	
C[C@@H](O)CC(C)(C)CNC(=O)NCc1ccc(N)cc1	1346351937	AQSUHCKWTBSJDB-LLVKDONJSA-N	279.384	1.865	10	20	CDCD	
O=C(NCc1cccc(O)c1O)[C@@H]1CCCN1C1CC1	1521852444	VYIRHMOWZYXQQP-LBPRGKRZSA-N	276.336	1.341	10	20	CDCD	
Cn1nccc1[C@@H](NCc1cccc(Cl)c1O)C(=O)O	1608164754	WNUJLFUNUYSVQF-LLVKDONJSA-N	295.726	1.695	10	20	CDCD	
C[C@H](NC(=O)[C@@H](N)Cc1ccncc1)c1ccccc1O	1579482586	KPNXIDNCLYMFIK-FZMZJTMJSA-N	285.347	1.534	10	20	CDCD	
Nc1ccc(NC(=O)[C@H]2CC(c3ccccn3)=NO2)cc1	1580447892	OWBYKQPCRZDORZ-CQSZACIVSA-N	282.303	1.796	10	20	CDCD	
c1cc2c(cc1CNC1C[C@@H]3CC[C@H](C1)N3)CCO2	841031305	ZDDIXKVUAVMQOI-YIONKMFJSA-N	258.365	1.994	10	20	CDCD	
COC[C@H](C)OC[C@@H](O)CN(C)c1ccc(OC)cc1	844353212	RAEDRUXBCUILNY-JSGCOSHPSA-N	283.368	1.544	10	20	CDCD	
C[C@H](NC[C@@H]1COCCO1)c1ccc(N(C)C)cc1	38060938	NUBZLKHHZJRSJY-SWLSCSKDSA-N	264.369	1.819	10	20	CDCD	
CCOC1CCN(C(=O)Cc2ccc(N)cc2)CC1	40678165	DVNCMPDDWJICPL-UHFFFAOYSA-N	262.353	1.839	10	20	CDCD	
COc1ccc(N2CCN(CCC[C@@H](C)O)CC2)cc1	45619324	UROFLIRSLJPVKP-CQSZACIVSA-N	278.396	1.978	10	20	CDCD	
CC(C)(CN[C@H]1CCc2cccc(O)c21)OCCO	297480658	ZGVRLKRGFGAPET-LBPRGKRZSA-N	265.353	1.757	10	20	CDCD	
CN1C[C@H](NCc2c(O)cccc2Br)CC1=O	706852119	QSOBITHGQYOXKO-MRVPVSSYSA-N	299.168	1.475	10	20	CDCD	
O=C(NCCCSc1nccs1)C(=O)NC1CC1	172222020	KOLSJSNFMJEHMZ-UHFFFAOYSA-N	285.394	1.020	10	20	CDCD	
Oc1cc2c(cc1CN1CC[C@@H](N3CC=CC3)C1)OCO2	172932692	QPQAWAHUWARGQI-CYBMUJFWSA-N	288.347	1.567	10	20	CDCD	
[N-]=[N+]=NCc1ccc(C(=O)NCCn2cncn2)s1	1537963075	SIWPFPVZERIHEO-UHFFFAOYSA-N	277.313	1.580	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2C[C@@H](CO)OC[C@H]2C)c1O	129270133	ZIQSRVGNASVLMZ-RNCFNFMXSA-N	297.326	1.316	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCCCO1	186406400	XCBYJGQLCYYYAB-HZMBPMFUSA-N	279.336	1.714	10	20	CDCD	
C[C@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)C[C@@H]1C	72872248	QWMXOJBFSPVVHO-KBPBESRZSA-N	289.423	1.957	10	20	CDCD	
O=C(NCc1nccs1)c1cccc(O)c1O	126316097	BSTHFDLMOWYKGZ-UHFFFAOYSA-N	250.279	1.484	10	20	CDCD	
COc1cc(O)c(CN2CCC[C@@H](C(N)=O)C2)cc1OC	183374656	NSOCVCBWXRFKIO-SNVBAGLBSA-N	294.351	1.107	10	20	CDCD	
C[C@@H](O)CN(C)Cc1cc(Cl)cc([N+](=O)[O-])c1O	130702160	UBUDYAGJNNKMSP-SSDOTTSWSA-N	274.704	1.766	10	20	CDCD	
CCOCCNC(=O)CN(CC)c1ccc(OC)cc1	267790328	FUIJUCGPKWHEBG-UHFFFAOYSA-N	280.368	1.674	10	20	CDCD	
Cc1c(C(=O)NCc2ccc(N(C)C)cc2)nnn1C	266043155	ZCFOLFIJAINRLW-UHFFFAOYSA-N	273.340	1.120	10	20	CDCD	
COc1ccc(O)c(CN2CCN(C(C)C)C(=O)C2)c1	272554466	RYIAHLJUUPYGMX-UHFFFAOYSA-N	278.352	1.453	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)Nc1nncn1C1CC1	803515358	ODMBPKTZIPBVQO-KXFIGUGUSA-N	286.291	1.676	10	20	CDCD	
COc1cccc(CNC(=O)C(=O)c2cccn2C)c1O	806762279	ACUVPGMSUQDQIY-UHFFFAOYSA-N	288.303	1.238	10	20	CDCD	
CN1CCCN(C(=O)NCc2ccc(N(C)C)cc2)CC1	298350994	ONSFCMVJEFLZKQ-UHFFFAOYSA-N	290.411	1.600	10	20	CDCD	
COc1ccc(O)c(CNCCc2nccnc2C)c1	816651759	PMEHECYFNWLBKU-UHFFFAOYSA-N	273.336	1.832	10	20	CDCD	
C[C@@H]1C[C@@H](NCCN2CCNCC2)c2c(O)ccc(F)c21	817945082	TYYSZWRSRRPHBU-DGCLKSJQSA-N	293.386	1.574	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)NCCCNC2CC2)c1	817984347	QQSRVZUQPNIWCQ-NSHDSACASA-N	292.379	1.972	10	20	CDCD	
Cc1cc(O)c(CN(C)CC(C)(CO)CO)cc1Cl	824831553	VCVFDWPLWDTDAK-UHFFFAOYSA-N	287.787	1.777	10	20	CDCD	
CC1=NO[C@@H](C(=O)NCCCSc2nccs2)C1	827474782	MUQOXIOOWMRBPP-SECBINFHSA-N	285.394	1.906	10	20	CDCD	
CC[C@](C)(NC(=O)NCc1ccc(N(C)C)cc1)C(=O)O	908759073	XWHSGFVTGWIMCQ-HNNXBMFYSA-N	293.367	1.805	10	20	CDCD	
COc1nccc(CNCc2cc(C)ccc2O)n1	824548921	QJWWKCDDQWGTIR-UHFFFAOYSA-N	259.309	1.789	10	20	CDCD	
Cn1ncc(/C=C2\C(=O)N3CCCc4cccc2c43)n1	901523623	XTORXYMYNFEPPE-JYRVWZFOSA-N	266.304	1.649	10	20	CDCD	
Cc1ccc(C(=O)N2CCC[C@@H]3COC[C@@H]32)c(O)c1O	838233727	SDGPCBFCUWLZBG-PWSUYJOCSA-N	277.320	1.657	10	20	CDCD	
COC(=O)c1cnc(SCCOC(C)=O)s1	917777246	AYPWHFGLRLKFAU-UHFFFAOYSA-N	261.324	1.585	10	20	CDCD	
COc1cccc(CN[C@H]2CCc3c(nnn3C)C2)c1O	848567003	NWOWBHOQCBAGGU-NSHDSACASA-N	288.351	1.176	10	20	CDCD	
Cc1[nH]nc(C(=O)N(C)Cc2ccc(N(C)C)cc2)c1O	749175150	FLPDNLSVLOSRIK-UHFFFAOYSA-N	288.351	1.762	10	20	CDCD	
Nc1ccc(CCNS(=O)(=O)CC2CCOCC2)cc1	842822264	BIWRPMUWRHHGKG-UHFFFAOYSA-N	298.408	1.157	10	20	CDCD	
C[C@@H](CCC1CC1)NC(=O)C(=O)Nc1ccc(N)cc1	841089419	MUAGJMCOMLWRMZ-JTQLQIEISA-N	275.352	1.902	10	20	CDCD	
C[C@H]1COC[C@H]1NCc1ccc(N2CCC(O)CC2)cc1	922641233	YOYHXCXMGNPRJM-SUMWQHHRSA-N	290.407	1.772	10	20	CDCD	
CC(=O)N[C@H](CC(C)C)C(=O)NCc1ccc(O)c(O)c1	860243275	IYAUZZYMRVLWBV-GFCCVEGCSA-N	294.351	1.265	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)C[C@H]1COC(=O)C1	935948248	KPYCJNZESXHOOO-SNVBAGLBSA-N	298.335	1.447	10	20	CDCD	
CN(Cc1c(O)ccc(Cl)c1F)[C@@]1(CO)CCOC1	862426308	DKDIAMHAPQHYFQ-CYBMUJFWSA-N	289.734	1.768	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)OCC(=O)[C@@H]1CCOC1	762924002	JLLOQZAPZJKHIK-JRBALWBOSA-N	292.287	1.260	10	20	CDCD	
CCO[C@H](C(=O)NCCc1ccc(N)cc1)C1CC1	876527799	MDMYYOWWCICLLX-AWEZNQCLSA-N	262.353	1.743	10	20	CDCD	
Cc1cc(C(=O)N[C@@H](CO)C2CC2)c(C)n1-c1ccccn1	771028733	DEKISEGLPLVLEV-HNNXBMFYSA-N	299.374	1.990	10	20	CDCD	
CCOc1ccc(O)c(CN2CCC(NCCO)CC2)c1	873217634	MSOIHDPNOCNNEM-UHFFFAOYSA-N	294.395	1.337	10	20	CDCD	
CCOC(=O)N1CC[C@H](NC(=O)c2cc(O)cs2)C1	771742925	GYNCHYJQSHLVFD-QMMMGPOBSA-N	284.337	1.414	10	20	CDCD	
Cc1ccc(CN[C@H](C)[C@@H](C)N2CCOCC2)c(O)c1	877025285	FWUJRPHNVCHCOP-ZIAGYGMSSA-N	278.396	1.899	10	20	CDCD	
CN(C)c1ccc(CN[C@@H]2CCCNC(=O)C2)cc1F	876989568	YLVQJVJNIFZPHT-GFCCVEGCSA-N	279.359	1.650	10	20	CDCD	
C[C@H](NCc1cc(F)cc(F)c1O)[C@H]1CN(C)CCO1	883051690	KMIRWPJCKWDMFM-TVQRCGJNSA-N	286.322	1.479	10	20	CDCD	
Nc1ccc(CNC(=O)N2CCC[C@@H](CO)CC2)cc1	1120592323	VPQPNWSPFMPXTM-CYBMUJFWSA-N	277.368	1.573	10	20	CDCD	
C[C@@](CO)(NC(=O)NCc1ccc(N)cc1)C1CC1	1120677057	IGGYSFVGUNGBND-AWEZNQCLSA-N	263.341	1.229	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CC(=O)N(C)C[C@@H]2C)c1O	782591364	FAURKYNTVIAOQW-VIFPVBQESA-N	294.326	1.396	10	20	CDCD	
CCc1cccc(CN2CC(N3CCCC3=O)C2)c1O	897785151	WQYXQWMXCCKQFO-UHFFFAOYSA-N	274.364	1.761	10	20	CDCD	
CCNC(=O)CC(=O)N[C@@H](C)c1cc(OC)ccc1O	780985514	RFYGRSVGKAWGGI-VIFPVBQESA-N	280.324	1.104	10	20	CDCD	
COc1ccc(CN(C)C[C@H](C)OC)c(O)c1OC	894435403	OSMZJLWYGXIYOD-JTQLQIEISA-N	269.341	1.876	10	20	CDCD	
COc1cccc(CN(C)[C@@H]2CCS(=O)(=O)C2)c1O	132409355	VASGDNIGVMDWBR-LLVKDONJSA-N	285.365	1.020	10	20	CDCD	
COc1cc(C)cc(CNC2CCN(C(C)=O)CC2)c1O	894152154	HCKSMELAPVVXHI-UHFFFAOYSA-N	292.379	1.810	10	20	CDCD	
COC(=O)c1cc(C(=O)NCc2ccccc2O)on1	781422050	KUAHUJRKUFCSFR-UHFFFAOYSA-N	276.248	1.097	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N2CC[C@H]2CO)cc1F	892486670	YGIYAAQYRWHXMB-NSHDSACASA-N	281.331	1.168	10	20	CDCD	
C[C@@H](NC(=O)N[C@H]1CC[C@@H](CN)C1)c1ccccc1O	892170194	PYBNWPXADWDQIH-UTUOFQBUSA-N	277.368	1.880	10	20	CDCD	
CCCN(C)S(=O)(=O)NCc1ccc(OC)cc1O	795357391	DUAMRDDPTCGWCU-UHFFFAOYSA-N	288.369	1.077	10	20	CDCD	
FCCNCc1ccc(N2CCOCC2)c(F)c1	798087196	NTYBTRXIDPVRRH-UHFFFAOYSA-N	256.296	1.721	10	20	CDCD	
COC(C)(C)C(=O)COC(=O)/C=C/c1ccc(O)c(O)c1	798638444	PGNXDORZDBJDLO-FNORWQNLSA-N	294.303	1.648	10	20	CDCD	
Cc1ccc(O)c(CN2CCS(=O)(=O)[C@H](C)[C@@H]2C)c1	93560296	LFJMLJNQMXBRMM-NWDGAFQWSA-N	283.393	1.708	10	20	CDCD	
CCN(C(=O)C(=O)N(C)Cc1ccccc1O)C1CCC1	1325004741	YNFFBYUABMHABR-UHFFFAOYSA-N	290.363	1.752	10	20	CDCD	
CCC[C@@H](C)NC(=O)C(=O)N(C)Cc1ccccc1O	1321931422	HUERUABWVWVURO-LLVKDONJSA-N	278.352	1.655	10	20	CDCD	
OC[C@@H](CC(F)(F)F)NCc1cc(F)ccc1O	717696523	LKMFGZMWJYBUSA-SECBINFHSA-N	267.222	1.934	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2NC[C@@H]3C[C@@H]32)c1	1332239344	TYAFXYUEULTTDA-VILIVFPASA-N	276.336	1.186	10	20	CDCD	
CC(=O)N1C[C@H]2CN(C(=O)Nc3ccc(N)cc3)C[C@H]2C1	1333594579	APJFCTZNXTYNQZ-TXEJJXNPSA-N	288.351	1.211	10	20	CDCD	
Nc1ccc(CC(=O)N[C@H]2CCC[C@H]2C(=O)O)cc1	85322278	LYYFMWHXHNULJP-NEPJUHHUSA-N	262.309	1.181	10	20	CDCD	
COc1ccc(CNC(=O)[C@]2(C)CC(C)=NO2)c(O)c1	1358184908	GIBODOPRQOGGBE-AWEZNQCLSA-N	278.308	1.572	10	20	CDCD	
COc1ccc(CN[C@H](CSC)C(=O)O)cc1C	1350653292	MVEPDHZOQUHHKR-LLVKDONJSA-N	269.366	1.909	10	20	CDCD	
CCC[C@@H](O)CN[C@H](C)c1cc(C(=O)O)ccc1O	1605221136	IKHAMXCTCXNKSB-MWLCHTKSSA-N	267.325	1.902	10	20	CDCD	
CC1(C)COC(=O)[C@@H]1NC(=O)Nc1ccc(N)cc1	1576481887	GVQIQKYTWKATGI-JTQLQIEISA-N	263.297	1.342	10	20	CDCD	
C[C@@H](N=c1cc[nH]c(-c2nn[nH]n2)c1)c1ccccc1O	1591730091	SKTSUYJAVQPNOJ-SECBINFHSA-N	282.307	1.562	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)C(C)(C)C(=O)O	1593714724	JIOHKIZVOJTBHO-UHFFFAOYSA-N	292.335	1.589	10	20	CDCD	
CN1[C@H]2CC[C@H]1CN(C(=O)c1cccc(O)c1O)CC2	249353483	QHIFLUHBDQBCTI-QWRGUYRKSA-N	276.336	1.407	10	20	CDCD	
CCN(C)c1ccc(CNC[C@H](F)C(=O)O)c(C)c1	1776856501	GTDUGINURPOVTB-ZDUSSCGKSA-N	268.332	1.963	10	20	CDCD	
CC(C)N1CCCN(C(=O)Cc2ccc(N)cc2)CC1	844205580	YLWOIATYXTVCIM-UHFFFAOYSA-N	275.396	1.754	10	20	CDCD	
CCc1cccc(CN2CC[C@H](S(C)(=O)=O)C2)c1O	848908788	DIBQETOPNJCFOP-ZDUSSCGKSA-N	283.393	1.574	10	20	CDCD	
CC1(C)COCCN1Cc1cc2c(cc1O)OCO2	64537400	URTUYFSDQKUKOV-UHFFFAOYSA-N	265.309	1.732	10	20	CDCD	
CCOc1cccc(CN2CC[C@@]3(CCNC3)C2)c1O	380350854	LCFUZCYFMVCYKV-MRXNPFEDSA-N	276.380	1.976	10	20	CDCD	
O=C1C[C@H](CNCc2cc(Cl)cc(Cl)c2O)CN1	398401898	NVZAGCASAMVWJA-SSDOTTSWSA-N	289.162	1.925	10	20	CDCD	
COc1cccc(CN[C@H](CO)C[C@@H]2CCCO2)c1O	886228993	JERBQJNHKNTBGZ-STQMWFEESA-N	281.352	1.420	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N[C@@H]2C=C[C@H](CO)C2)cc1	178326261	XQNBAZGWKGRMCX-UONOGXRCSA-N	289.379	1.489	10	20	CDCD	
O=[N+]([O-])c1ccc(O)c(CN[C@@H]2CCCC[C@H]2O)c1	116343460	VNZOAQOYFGQJNV-DGCLKSJQSA-N	266.297	1.694	10	20	CDCD	
Cc1ccc(C(=O)N2CCC[C@@H]2C[C@@H](C)O)c(O)c1O	182893975	AHNBTKFYPLFCAL-GHMZBOCLSA-N	279.336	1.782	10	20	CDCD	
C[C@H]1CCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1O	75414633	JDGRDVWIVVYKQW-VIFPVBQESA-N	298.364	1.388	10	20	CDCD	
O=C(NCC1(O)CCCC1)c1cccc(O)c1O	126623959	ACMHWNCOPXJMMD-UHFFFAOYSA-N	251.282	1.133	10	20	CDCD	
CCN1CCCC[C@H]1CNC(=O)c1cccc(O)c1O	193062828	REMYXGOXBPQJCD-NSHDSACASA-N	278.352	1.702	10	20	CDCD	
CC(C)c1noc(CCNC(=O)Cc2ccc(N)cc2)n1	236671877	NVAVMUNJLFXVCI-UHFFFAOYSA-N	288.351	1.677	10	20	CDCD	
Nc1ccc(CCNC(=O)CCOC[C@@H]2CCCO2)cc1	238123823	FLOLHMWUHAPYBX-HNNXBMFYSA-N	292.379	1.513	10	20	CDCD	
CN(CC(C)(C)O)C(=O)NCc1ccc(N(C)C)cc1	266981677	NEVZYUUQMXIVTI-UHFFFAOYSA-N	279.384	1.665	10	20	CDCD	
CC[C@@H](OC)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	274726047	BBMLSAYYRQUATE-TVQRCGJNSA-N	267.325	1.570	10	20	CDCD	
Oc1ccc(F)cc1CN1CCOC[C@H]1[C@H]1CCCO1	377701301	SOLJMDGYRJZDOK-DZGCQCFKSA-N	281.327	1.911	10	20	CDCD	
CC(=O)C(=O)COC(=O)c1ccc(C)c([N+](=O)[O-])c1	808487631	OXXGEIZCCYEDOW-UHFFFAOYSA-N	265.221	1.218	10	20	CDCD	
NCC1(CC(=O)NCCCSc2nccs2)CC1	817941227	NZUFLMFUCFRQRY-UHFFFAOYSA-N	285.438	1.871	10	20	CDCD	
COC(=O)c1ccc(C(=O)NCc2ccccc2O)[nH]1	815833425	MWHOTFHNEKODJR-UHFFFAOYSA-N	274.276	1.437	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@H]2[C@H]3CCC(=O)[C@@H]32)cc1F	906454833	SCJNFXMOWQLESD-COLVAYQJSA-N	290.338	1.733	10	20	CDCD	
CCc1cc(C(=O)NCc2ccc(OC)cc2O)n(C)n1	822612673	SUHDMCWFBBDHCH-UHFFFAOYSA-N	289.335	1.627	10	20	CDCD	
CCNC(=O)C(C)(C)NC(=O)/C=C/c1ccc(O)c(O)c1	837267408	XMQQVNXMVSFMHD-SOFGYWHQSA-N	292.335	1.142	10	20	CDCD	
Cc1ccc(C(=O)N(C)[C@H]2CCN(C(C)C)C2)c(O)c1O	837187239	YDIZLTWMDLNXSR-LBPRGKRZSA-N	292.379	1.961	10	20	CDCD	
CC[C@@H]1CN(CC)CCN1C(=O)c1cccc(O)c1O	836947780	LVHPQANLTMZZRP-LLVKDONJSA-N	278.352	1.654	10	20	CDCD	
CN[C@@H](C)C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1	848431540	XXWVXFPSSMOENE-STQMWFEESA-N	291.395	1.246	10	20	CDCD	
CO[C@@H]1CCC[C@@H]1C(=O)NCCc1ccc(N)cc1	911782687	KBBLQIQYTUUDNZ-UONOGXRCSA-N	262.353	1.743	10	20	CDCD	
CN(C(=O)/C=C\c1cccnc1)c1ccc(C(N)=O)cc1	917860452	MOKZCXHLDXXECE-WTKPLQERSA-N	281.315	1.857	10	20	CDCD	
CCOc1ccc(O)c(CN2CC[C@](C)(CN)C2)c1	843116250	KAZPMHHCGGMJDS-OAHLLOKOSA-N	264.369	1.962	10	20	CDCD	
Nc1ccc(CCNC(=O)NCCCNC2CC2)cc1	841918062	AHLGTXIVMAEFTF-UHFFFAOYSA-N	276.384	1.253	10	20	CDCD	
Cc1cc(CN2CCC(O)(C(=O)O)CC2)ccc1N(C)C	846273718	DASDSAMHGYZZBW-UHFFFAOYSA-N	292.379	1.473	10	20	CDCD	
COC[C@H](OC)C(=O)N(C)Cc1ccc(N(C)C)cc1	854324405	JUFSONADUZLWNZ-AWEZNQCLSA-N	280.368	1.372	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@@H]2CCc3nncn3C2)c1	862756216	UAMYDDDDYHBJCV-LLVKDONJSA-N	286.335	1.171	10	20	CDCD	
COc1cc(N(C)CCC2OCCO2)cc(OC)c1OC	767790623	TUWCZJXDHXZVFY-UHFFFAOYSA-N	297.351	1.912	10	20	CDCD	
CCN(C)c1ccc(CN(C[C@@H](C)O)[C@H](C)CO)cc1	773887991	KLFZFXBEWTVIRM-ZIAGYGMSSA-N	280.412	1.706	10	20	CDCD	
Cc1cccc(O)c1CN1CC[C@H]2NC(=O)CC[C@H]2C1	877629560	VRHYTCKAYJNADX-GXTWGEPZSA-N	274.364	1.801	10	20	CDCD	
CCOC(=O)C1=NN(c2cccc(F)c2F)C(=O)[C@@H]1C	871956650	YMZMUBARZXLQGE-SSDOTTSWSA-N	282.246	1.867	10	20	CDCD	
CCNC(=O)[C@@H](C)NCc1ccc(OC)c(C)c1	35052705	DCYLPXHRHRQTNS-LLVKDONJSA-N	250.342	1.618	10	20	CDCD	
COC(=O)N1CC(C)(NCc2ccc(N(C)C)cc2)C1	788830245	BJZJFTYSRLMJBF-UHFFFAOYSA-N	277.368	1.683	10	20	CDCD	
O=C(NC[C@H](O)c1ccccc1)c1c(F)ccc(O)c1O	789994726	BGUKSXIRNRBAQL-LBPRGKRZSA-N	291.278	1.700	10	20	CDCD	
Cc1ccc(O)c(CN2[C@@H](C)[C@H](C)NC(=O)[C@H]2C)c1	895118076	ZDFHWBWIELYTMI-SDDRHHMPSA-N	262.353	1.798	10	20	CDCD	
OC[C@@H](CNCc1cc(Cl)ccc1O)[C@@H]1CCOC1	795582102	ICFSLICDAABHFW-ZYHUDNBSSA-N	285.771	1.780	10	20	CDCD	
CCCNC(=O)CN[C@H](C)c1cc(C)ccc1O	36780995	CAXNXOVQEIFKLU-LLVKDONJSA-N	250.342	1.877	10	20	CDCD	
Cc1cccc(CNCCCN2CCOCC2)c1O	83478843	DPDKKWUEEGPUQM-UHFFFAOYSA-N	264.369	1.513	10	20	CDCD	
CCCNCCCNC(=O)c1ccc(N=NC(N)=O)cc1	1177237465	AUONLPKPKKZXJI-UHFFFAOYSA-N	291.355	1.969	10	20	CDCD	
CCOc1cccc(CN[C@@H](C)C[S@](C)=O)c1O	168181921	FVYSBMCRWXJYIB-XTZNXHDOSA-N	271.382	1.648	10	20	CDCD	
C[C@@H]1CC(=O)NCCN1Cc1ccc(N2CCCC2)cc1	1327419251	GYRBDHXFWIUWEL-CQSZACIVSA-N	287.407	1.997	10	20	CDCD	
C[C@H](NC[C@H]1CCS(=O)(=O)C1)c1cc(F)ccc1O	94617781	LWHQWTDZQCJYOM-VHSXEESVSA-N	287.356	1.617	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)c2cnn3c2NCCC3)c1	1347343953	WTPWSKGBLCMYRI-UHFFFAOYSA-N	286.335	1.643	10	20	CDCD	
NCCC(=O)NC[C@H]1CCCCN1Cc1ccc(N)cc1	1352788522	FHLWWVYXNLZJCV-OAHLLOKOSA-N	290.411	1.088	10	20	CDCD	
O=C(O)[C@H](CC1CCOCC1)NCc1cc(F)ccc1O	1601643374	OERVARIFYUYZIN-ZDUSSCGKSA-N	297.326	1.891	10	20	CDCD	
Cc1nc(NCc2ccccc2O)cc(-c2nn[nH]n2)n1	1606077450	VCQALYRYBLQBFB-UHFFFAOYSA-N	283.295	1.283	10	20	CDCD	
CO[C@H](CS(=O)(=O)NCc1ccc(N)cc1)C(C)C	1578916995	VYKRLBMLNDWLSJ-CYBMUJFWSA-N	286.397	1.359	10	20	CDCD	
C[C@H](C(=O)O)C(=O)Nc1c(Cl)ccc2nonc12	1588576074	NPULIYGGDKZEBP-BYPYZUCNSA-N	269.644	1.535	10	20	CDCD	
Nc1ccc(CC(=O)N2C[C@@H]3CCC[C@]3(CO)C2)cc1	1580443055	NKRHNNLRCJRTPK-XJKSGUPXSA-N	274.364	1.432	10	20	CDCD	
CN(Cc1ccccc1O)c1ccncc1-c1nn[nH]n1	1591147445	LCBYEWRXLUTOJT-UHFFFAOYSA-N	282.307	1.604	10	20	CDCD	
Cc1cc(CN2CCO[C@H](C)[C@H]2C(=O)O)ccc1N(C)C	1777421874	APUCAUCAPOAUTB-DOMZBBRYSA-N	292.379	1.735	10	20	CDCD	
COc1ccc(N(C)C[C@@H]2CCNC2)cc1OC	258998145	WLOKWTCRMOTZSI-LLVKDONJSA-N	250.342	1.750	10	20	CDCD	
COCc1noc(CN(C)c2ccc(OC)cc2)n1	844352754	GHYNFWMXBDNIFL-UHFFFAOYSA-N	263.297	1.861	10	20	CDCD	
O=C1NCCCC[C@H]1NCc1cc(F)ccc1O	226584389	DVLROQNUOGMVHB-LLVKDONJSA-N	252.289	1.290	10	20	CDCD	
CN1CCC[C@@H](CN(C)C(=O)Cc2ccc(N)cc2)C1	237113714	ZYSMDMASYCLPMA-CQSZACIVSA-N	275.396	1.612	10	20	CDCD	
NC[C@@H]1CCCC[C@@H]1NC(=O)Cc1ccc(N)cc1	262627433	MENCRLWJAMNRGP-JSGCOSHPSA-N	261.369	1.445	10	20	CDCD	
COCC[C@@H](CO)N[C@@H](C)c1ccc(N(C)C)cc1	281524105	HVBIELBKWZEIII-JSGCOSHPSA-N	266.385	1.801	10	20	CDCD	
CCN1C[C@H](N[C@@H](C)c2ccc(C)cc2O)CC1=O	391500081	VOBKOFQJNVINMV-NWDGAFQWSA-N	262.353	1.972	10	20	CDCD	
Cc1nc(CCNCc2ccc3c(c2)CCCO3)n[nH]1	921955983	HWAHJCJXSCGFLP-UHFFFAOYSA-N	272.352	1.770	10	20	CDCD	
CN(CC1=CCSC1)C(=O)Cc1ccc(N)cc1	852920020	JBMMFVBKNGOECM-UHFFFAOYSA-N	262.378	1.943	10	20	CDCD	
O=C(CCc1ccco1)NCc1ccc(O)c(O)c1	178443042	VAIHKBZIRMCLLD-UHFFFAOYSA-N	261.277	1.940	10	20	CDCD	
O=C(NC1CC1)[C@@H]1CCCN(C(=O)c2cc(O)cs2)C1	1350553406	PZHSMEFUKHEVLF-SECBINFHSA-N	294.376	1.585	10	20	CDCD	
CC(C)(O)C(=O)NCc1ccc(N2CCSCC2)cc1	188215636	FAMOKNPZGZZQQH-UHFFFAOYSA-N	294.420	1.627	10	20	CDCD	
Cc1ccc(O)c([C@H](C)NC[C@H](C)N2CCN(C)CC2)c1	185364167	RNCZTBBHTJNPRB-GJZGRUSLSA-N	291.439	1.987	10	20	CDCD	
OCCOCCNCc1cccc(Br)c1O	42411840	KKTUIHFFQIEMDP-UHFFFAOYSA-N	290.157	1.253	10	20	CDCD	
CNS(=O)(=O)[C@@H]1CCN(Cc2cc(C)c(C)cc2O)C1	138331198	HWPPMELILFCSIY-CYBMUJFWSA-N	298.408	1.133	10	20	CDCD	
COC[C@@H](O)CCNCc1cccc(Cl)c1O	224933729	LMHFYNNZNZFJEA-JTQLQIEISA-N	259.733	1.533	10	20	CDCD	
Cc1cc(NS(=O)(=O)c2c[nH]cn2)ccc1O	148638220	KWNAKYVZBKWLGV-UHFFFAOYSA-N	253.283	1.225	10	20	CDCD	
CC[C@H](C(=O)N[C@H](C)Cc1ccc(O)c(O)c1)C(=O)OC	276834868	PBCGVXQTDSPTQW-MWLCHTKSSA-N	295.335	1.344	10	20	CDCD	
NC(=O)C[C@H]1CCN(Cc2c(O)ccc(Cl)c2F)C1	367704550	OVGQEILDMSDNEK-MRVPVSSYSA-N	286.734	1.882	10	20	CDCD	
Cc1ccc(C(=O)NCc2cn(C)nc2C)c(O)c1O	274786056	MCDGZMZRXSGHDO-UHFFFAOYSA-N	275.308	1.378	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN(C)[C@@H]2CCC[C@H]2O)c1O	289939081	YFRYEAGRXWAXTC-ZYHUDNBSSA-N	296.323	1.654	10	20	CDCD	
CCOC(=O)[C@H](F)C1CN(Cc2cc(OC)ccc2O)C1	294005260	TUYWQGISEBOGHA-CQSZACIVSA-N	297.326	1.734	10	20	CDCD	
C[C@H](CO)CNCc1cc(Br)ccc1O	163758063	PQWJUNJNVXRPJU-QMMMGPOBSA-N	274.158	1.873	10	20	CDCD	
Cc1cc(O)c(CN[C@H]2CCc3nnnn3CC2)cc1C	817419698	WCEXJAXXDOCNHI-ZDUSSCGKSA-N	287.367	1.490	10	20	CDCD	
COCCOC[C@@H](O)CNCc1ccc(N(C)C)cc1C	819077264	JXQJMLJIMJHJNX-INIZCTEOSA-N	296.411	1.175	10	20	CDCD	
C[C@H](NC[C@@H](C)N)c1ccc(N2CCOCC2)c(F)c1	817972594	YFJFCZNAZIUBEI-NEPJUHHUSA-N	281.375	1.660	10	20	CDCD	
COC[C@@H](C)OC[C@@H](O)CNCc1ccc(N(C)C)cc1	818941672	NMPNCIBSNUNSLC-CJNGLKHVSA-N	296.411	1.255	10	20	CDCD	
COc1ccc(O)c(CN2C[C@@H](C)C[C@@H](O)C2)c1	825316837	VPEWMLNPJDJEGN-CMPLNLGQSA-N	251.326	1.604	10	20	CDCD	
CO[C@@H](C(=O)N[C@H](C)c1ccccc1O)c1cnn(C)c1	827946776	RJIZIORUWGYACW-QMTHXVAHSA-N	289.335	1.691	10	20	CDCD	
COC(=O)[C@H]1CCCCN1C(=O)c1cc(O)cs1	823311182	JXHIXWVIGICIGB-SECBINFHSA-N	269.322	1.621	10	20	CDCD	
CC(C)[C@H](NC(=O)O)C(=O)NCCc1ccc(O)c(O)c1	826705342	ULHBHRYLMCCTKX-LBPRGKRZSA-N	296.323	1.049	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NOCC(C)(C)O)cc1F	824265750	OMSJLLFFRONNNW-UHFFFAOYSA-N	299.346	1.393	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@@H](C)[C@H](C)N	829764650	RNTVVCHOALQBHN-RYUDHWBXSA-N	263.385	1.661	10	20	CDCD	
CO[C@@H](CNC(=O)NCc1ccccc1O)C(F)(F)F	733646081	OZLAANFUMYBGKD-JTQLQIEISA-N	292.257	1.769	10	20	CDCD	
COC(=O)c1cnc(S[C@@H]2CCCN(C)C2=O)s1	829680971	JSQYAHMZEVRWKI-SSDOTTSWSA-N	286.378	1.643	10	20	CDCD	
CC(C)(CNC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)O	833458190	MJPGVIBUKBKRHT-XQRVVYSFSA-N	279.292	1.338	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H](O)C1CCC1	837113859	JQGINNKWVSTKQF-HZRUHFOJSA-N	277.320	1.388	10	20	CDCD	
CC[C@@H](CNCc1cccc(OC)c1O)C(=O)O	903704896	NWGNSOOESBZJAM-VIFPVBQESA-N	253.298	1.601	10	20	CDCD	
C[C@H]1CCN(C(=O)C(=O)Nc2ccc(N)cc2)[C@H]1C	841057290	IVDMHDCYIBHTEU-UWVGGRQHSA-N	261.325	1.464	10	20	CDCD	
CC(=O)N1CC(C(=O)NCc2cc(Cl)ccc2O)C1	846473591	NJCSTIZFMNWSEN-UHFFFAOYSA-N	282.727	1.140	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1COC[C@H]1C	919081290	JWTLWEKPQUNKRQ-IUODEOHRSA-N	291.395	1.895	10	20	CDCD	
C[C@H](N)[C@@H]1CN(Cc2cc(Cl)cc(F)c2O)CCO1	843057089	GFUNYXHVXVLDGJ-UFBFGSQYSA-N	288.750	1.733	10	20	CDCD	
CCC[C@@H]1CNCCN1Cc1cc(OC)c(OC)cc1O	843057754	HXQFXDDUYNTQJR-CYBMUJFWSA-N	294.395	1.983	10	20	CDCD	
NC[C@@H]1CN(Cc2c(O)ccc(Cl)c2F)CCCO1	841101279	VHMYEHRCMJAHAV-SECBINFHSA-N	288.750	1.734	10	20	CDCD	
CC[C@H](C)NC(=O)[C@H](C)NC(=O)Nc1ccc(N)cc1	841301763	YJUXKWUEOVUTQO-UWVGGRQHSA-N	278.356	1.694	10	20	CDCD	
CC(C)[C@]1(C)C[C@@H]1NC(=O)C(=O)Nc1ccc(N)cc1	841141947	SFJVJUCBQUPSLO-WFASDCNBSA-N	275.352	1.758	10	20	CDCD	
C[C@@H]1C[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2)CO1	844107965	UIMLZGMRLYAJMR-FYGOAMBHSA-N	263.293	1.405	10	20	CDCD	
CCN(C)C(=O)[C@@H](C)NC(=O)NCc1cc(C)ccc1O	858385943	AEPKDHIAXUVMAD-LLVKDONJSA-N	293.367	1.367	10	20	CDCD	
COC(=O)NC1CCN(C(=O)c2cc(O)cs2)CC1	856446727	HQDYCQONWXUDOW-UHFFFAOYSA-N	284.337	1.414	10	20	CDCD	
CN(C)c1ccc(CNC(=O)C2CSC2)cc1	864574689	DNQFFVMBLDVCHQ-UHFFFAOYSA-N	250.367	1.732	10	20	CDCD	
CCOC(C)(C)C(=O)OCC(=O)c1ccc(O)c(O)c1	869766887	ASQFQTHJTGAISM-UHFFFAOYSA-N	282.292	1.639	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCC(OCCO)CC1	760425149	GLZZWBATDZRKNR-UHFFFAOYSA-N	271.338	1.067	10	20	CDCD	
CNC(=O)[C@H]1CCC[C@H]1NCc1cc(C)ccc1O	765798045	UKVWZQSVAHZLRZ-QWHCGFSZSA-N	262.353	1.705	10	20	CDCD	
COC(=O)CCCNC(=O)N[C@H](C)c1ccccc1O	874998384	PBPARAMZFWHTKT-SNVBAGLBSA-N	280.324	1.706	10	20	CDCD	
C[C@@H](NCCOCCN(C)C)c1cc(F)cc(F)c1O	774383625	ZDFMMZAALNBQAL-SNVBAGLBSA-N	288.338	1.899	10	20	CDCD	
CCO[C@@H]1C[C@H](NCc2cc(F)cc(F)c2O)[C@H]1OC	894466945	QFMNWUMNPWWEOQ-OUCADQQQSA-N	287.306	1.952	10	20	CDCD	
COc1ccc(CNC/C=C\CO)c(O)c1OC	895336175	GGBNQUPLOVUYRB-ARJAWSKDSA-N	253.298	1.048	10	20	CDCD	
COc1cccc(O)c1CN[C@H](C)c1nc(C)no1	792176561	HREIDNLCSFBOJB-MRVPVSSYSA-N	263.297	1.943	10	20	CDCD	
Oc1ccc(F)cc1CN1C[C@H]2CC[C@@H](O)[C@H]2C1	895781296	NGKDYZRACOLBJA-LJWDBELGSA-N	251.301	1.734	10	20	CDCD	
COc1ccc(CNC(=O)c2ccnc(C3CC3)n2)c(O)c1	794390017	DLTBDLGRTBVYEF-UHFFFAOYSA-N	299.330	1.998	10	20	CDCD	
COc1ccc(CNC(=O)NCC2CCOCC2)c(O)c1	792955680	ZKPHVESDLVBSIC-UHFFFAOYSA-N	294.351	1.627	10	20	CDCD	
CCCNC(=O)CCC(=O)NCc1ccc(OC)cc1O	794388065	NTVIEXWLJOVXNV-UHFFFAOYSA-N	294.351	1.323	10	20	CDCD	
Cc1ccc(C(=O)N2CCC[C@@H](C)[C@H]2CO)c(O)c1O	1159922150	FILGLOULVPJMHC-BXKDBHETSA-N	279.336	1.639	10	20	CDCD	
CCN(CCO)Cc1ccc(N2CCN(C)CC2)c(F)c1	1319679153	ZIRNIQJNLDDPTL-UHFFFAOYSA-N	295.402	1.392	10	20	CDCD	
OC[C@H](CC(F)F)N[C@@H]1CCc2cccc(O)c21	717743097	GZLLIRYZJAYSTM-VHSXEESVSA-N	257.280	1.985	10	20	CDCD	
NCC[C@@H]1CCN(C(=O)NCc2ccc(N)cc2)C1	1346738987	LJHRMFMXZMAVPM-GFCCVEGCSA-N	262.357	1.149	10	20	CDCD	
CCN(CC)c1ccc(CN(C)C(=O)C[C@@H](O)CN)cc1	1340788729	DVWGDLQRTZYDPS-OAHLLOKOSA-N	293.411	1.201	10	20	CDCD	
CC(C)N1CCN(C(=O)NCc2ccc(N)cc2)CC1	1346737843	ABRQSWLPSQVOBJ-UHFFFAOYSA-N	276.384	1.504	10	20	CDCD	
Cc1cccc(O)c1CN1CC[C@@](F)(C(=O)O)C1	1600542930	BGUGWIDUUPWWBB-ZDUSSCGKSA-N	253.273	1.699	10	20	CDCD	
C[C@@H](N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)c1cc(C(=O)O)ccc1O	1604357535	LIIKKZCJGZBRIP-LQEIOPRQSA-N	289.331	1.917	10	20	CDCD	
Cn1nccc1[C@@H](NCc1cc(F)c(F)cc1O)C(=O)O	1601034350	FTLUQJKKENLEHX-GFCCVEGCSA-N	297.261	1.319	10	20	CDCD	
O=S1(=O)CCN(Cc2c(O)ccc3ccccc23)CC1	103265428	APXSSTZDAUWPFH-UHFFFAOYSA-N	291.372	1.776	10	20	CDCD	
CN(C)c1ccc(CN(C[C@H]2CNCCO2)C2CC2)cc1	1578425873	PVCLMRJNERAODC-QGZVFWFLSA-N	289.423	1.705	10	20	CDCD	
CN(C)c1ccc(OCCN2CCOC2=O)cc1C(=O)O	1598328420	LGUYVNSSEYSFHR-UHFFFAOYSA-N	294.307	1.282	10	20	CDCD	
COc1ccc(CN2CC[C@](C)(C(=O)O)C2)c(O)c1OC	1594093158	WMLQWSACCUQLJB-HNNXBMFYSA-N	295.335	1.706	10	20	CDCD	
C[C@@H](O)[C@H](NCc1cc(Cl)c(F)cc1O)C(=O)O	1599844896	AWLSVWJHCOVDOP-FWOIEVBISA-N	277.679	1.108	10	20	CDCD	
CN(C)c1ccc(CNC(=O)C2(N(C)C)CCC2)cc1F	158819632	OJIXOTZOXQMMDJ-UHFFFAOYSA-N	293.386	1.992	10	20	CDCD	
Cc1ccc(C(=O)NCc2ccc(O)c(O)c2)cn1	159121153	UCCVGCLWNNXMBI-UHFFFAOYSA-N	258.277	1.731	10	20	CDCD	
C[C@H](C(=O)O)C(=O)N(C)Cc1ccc(N(C)C)cc1	229335785	KVFBHEGUOLTUIJ-JTQLQIEISA-N	264.325	1.432	10	20	CDCD	
OCC1(CNCc2cc(F)cc(F)c2O)CCOCC1	708393996	NHGRVHUVJFMWQD-UHFFFAOYSA-N	287.306	1.549	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CCNCC2)c1O	50499151	PTRWRFHQWKLFQO-UHFFFAOYSA-N	252.289	1.139	10	20	CDCD	
COc1cccc(CNC(=O)[C@@H]2CCCO2)c1O	68488829	UTXXJDWRFPJFPO-NSHDSACASA-N	251.282	1.196	10	20	CDCD	
O=C(CCc1nnc[nH]1)NCCCSc1nccs1	176870724	QMUAUXSQCMAFKR-UHFFFAOYSA-N	297.409	1.492	10	20	CDCD	
O=C(NCCCSc1nccs1)c1cnsn1	114375344	ZEXKLHUBYAZOQU-UHFFFAOYSA-N	286.407	1.907	10	20	CDCD	
COc1cccc(CN(C)C[C@H]2CCCN2C)c1O	211639640	WOEUHVVZZSFXLZ-CYBMUJFWSA-N	264.369	1.927	10	20	CDCD	
CC(C)NC(=O)CCNCc1ccc2c(c1)CCO2	54174154	NADUQOQQHPFPDU-UHFFFAOYSA-N	262.353	1.626	10	20	CDCD	
Oc1ccccc1CN1CCN(c2ncc(F)cn2)CC1	273756025	OJWFFMQQLQXQHO-UHFFFAOYSA-N	288.326	1.644	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@@H]2C[C@@H](O)C2(C)C)c1	275269798	BRHQNTHXZWWNDF-CUOATXAZSA-N	293.363	1.989	10	20	CDCD	
CO[C@@H](C)C(=O)NCc1cccc(Br)c1O	277536988	MYPOPTWRQHDVOZ-ZETCQYMHSA-N	288.141	1.806	10	20	CDCD	
CC(=O)OC(C)(C)C(=O)NCc1ccc(O)c(O)c1	275451673	FAERADBZNXEUMH-UHFFFAOYSA-N	267.281	1.056	10	20	CDCD	
CCCCN(Cc1ccccc1O)C(=O)CNC(=O)OC	282366966	BUJRGIPQTKERTQ-UHFFFAOYSA-N	294.351	1.877	10	20	CDCD	
COC(=O)c1cnc(SCC(=O)C(F)F)s1	295399057	WAXGDVXUNJBKFE-UHFFFAOYSA-N	267.278	1.856	10	20	CDCD	
COCCO[C@@H]1CCCN(C(=O)c2cccc(O)c2O)C1	801314995	PVGXQWQPZXSTFW-LLVKDONJSA-N	295.335	1.365	10	20	CDCD	
CO[C@@H](C)CN(C)Cc1ccc(N2CCN(C)CC2)cc1	809717616	KZNOLFGUMKPMJE-HNNXBMFYSA-N	291.439	1.905	10	20	CDCD	
O=C(NCCCSc1nccs1)c1cnnc(O)c1	827474583	FNIIQKJKOOBOKT-UHFFFAOYSA-N	296.377	1.551	10	20	CDCD	
CCN(C)c1ccc(Cn2cc(COC(=N)O)nn2)cc1	900549081	DFUYXFOJHCBJHE-UHFFFAOYSA-N	289.339	1.792	10	20	CDCD	
O=C(NCC1(C(=O)O)CCC1)c1cc(O)cs1	738497745	RMRPHQJINGGATN-UHFFFAOYSA-N	255.295	1.438	10	20	CDCD	
C[C@@H](OC(=O)c1cc(O)cs1)C(=O)Nc1ncccn1	732354807	RWBVAYUQPBVNPZ-SSDOTTSWSA-N	293.304	1.428	10	20	CDCD	
C[C@@H](C(=O)NCc1ccc(O)cc1O)C(F)(F)F	910950096	CEPBAHPJYGPZPM-LURJTMIESA-N	263.215	1.912	10	20	CDCD	
CN(CC(=O)NCc1ccc(O)cc1O)[C@@H]1CCSC1	910949137	GAPHBAMLTGVJAK-LLVKDONJSA-N	296.392	1.151	10	20	CDCD	
OCCCN1CCC[C@@H]1CN[C@@H]1CCc2cccc(O)c21	834851272	WBTGTMCZIWTVGK-HUUCEWRRSA-N	290.407	1.816	10	20	CDCD	
Cc1noc(C)c1/C=C1\SC(N2CCOCC2)=NC1=O	747148162	OAUHGPVELGYLRR-XFFZJAGNSA-N	293.348	1.594	10	20	CDCD	
Cn1nc2c(c1C(=O)NCCc1ccc(N)cc1)CCCC2	911782250	GEEHIICVKBWLJE-UHFFFAOYSA-N	298.390	1.854	10	20	CDCD	
COc1cccc([C@@H](C)NCC2(CO)CCOCC2)c1O	846157177	ROOWLWUPBIRJIR-GFCCVEGCSA-N	295.379	1.841	10	20	CDCD	
CCn1cc(C(=O)NCc2ccc(O)cc2O)c(C)n1	910955482	GAOJHPOSLXMCHC-UHFFFAOYSA-N	275.308	1.553	10	20	CDCD	
COc1ccc(CNC(=N)NCC2CCC2)c(O)c1	849025242	VPFFRTDHUFPSGN-UHFFFAOYSA-N	263.341	1.815	10	20	CDCD	
COc1cccc(CN[C@H]2CCC[C@@H](N)C2)c1O	841055295	MWZNBNXATDXCHV-NEPJUHHUSA-N	250.342	1.760	10	20	CDCD	
C[C@@H](CN)CNCc1ccc(N2CCOCC2)c(F)c1	841048695	KZKZRFFRAPPJOT-LBPRGKRZSA-N	281.375	1.347	10	20	CDCD	
CNC[C@H]1CCN(Cc2ccc(N(C)C)c(F)c2)C1	843052932	PEQVHNOEALUBCY-CYBMUJFWSA-N	265.376	1.933	10	20	CDCD	
CCn1nncc1CN[C@H](C)c1cc([N+](=O)[O-])ccc1O	858440426	UNWUILWEDIQNCF-SECBINFHSA-N	291.311	1.763	10	20	CDCD	
COc1cc(O)c(CN2CC[C@@H](C)[C@@H](CO)C2)cc1OC	857062306	ZWGXQNQBCNUXFN-DGCLKSJQSA-N	295.379	1.860	10	20	CDCD	
COc1ccc(O)c([C@H](C)NCCN2CC[C@@H](O)C2)c1	858549107	SDZPHOSELVXRKB-NWDGAFQWSA-N	280.368	1.118	10	20	CDCD	
C[C@@H](NC[C@@]1(O)CCN(C)C1)c1cc(F)cc(F)c1O	762784873	BEYUKHFKVFCBPG-OTYXRUKQSA-N	286.322	1.388	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)CCCn2cncn2)c1	862760502	SULOCPCXRRHJAG-UHFFFAOYSA-N	274.324	1.389	10	20	CDCD	
CCOc1ccc(CN2CCNC(=O)[C@H]2C)c(O)c1	769191670	AWDCSQFLOPFYEA-SNVBAGLBSA-N	264.325	1.111	10	20	CDCD	
COc1cccc(CNC(=O)N[C@@H]2C[C@H](C)O[C@H]2C)c1O	875988398	GTLRVTQWZJCZBU-JBLDHEPKSA-N	294.351	1.766	10	20	CDCD	
O=C(NCc1ccccc1O)c1cnc2[nH]cnc2c1	764067211	GSMJCAWNKMGCHP-UHFFFAOYSA-N	268.276	1.594	10	20	CDCD	
Cc1cccc(O)c1CNCCOC[C@@H]1CCOC1	877007482	RXTRGRNLTPAPDT-CYBMUJFWSA-N	265.353	1.843	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@](C)(O)C(C)C)c1	771417180	LXIKEWXFNSEADV-BONVTDFDSA-N	281.352	1.985	10	20	CDCD	
C[C@H](NS(=O)(=O)[C@@H]1CCOC1)c1ccc(N(C)C)cc1	773083898	KYLFYGZLRMYDPX-SMDDNHRTSA-N	298.408	1.522	10	20	CDCD	
Cc1cccc(O)c1CNCC1CCS(=O)(=O)CC1	877122084	HNMOMZIMFBMPDS-UHFFFAOYSA-N	283.393	1.615	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CNCC2(C)C)c1	884310347	VRAOENWPGFRPRX-MFKMUULPSA-N	292.379	1.824	10	20	CDCD	
CCOCCCn1cc(COc2ccc(N)cc2)nn1	881306521	JUYQOFZOVMTYLM-UHFFFAOYSA-N	276.340	1.866	10	20	CDCD	
C[C@H]1CN(Cc2c(O)cccc2Cl)C[C@@H](CO)O1	787418488	WQRMNMXXDLRWFN-UWVGGRQHSA-N	271.744	1.627	10	20	CDCD	
C[C@]1(CO)CCCN1Cc1cc2c(cc1O)OCO2	789556543	BUOQCLOUPZMOJR-CQSZACIVSA-N	265.309	1.468	10	20	CDCD	
Oc1c(F)cc(F)cc1CN1CCN([C@H]2CCOC2)CC1	895259359	LIJLJUUJPWEDBO-ZDUSSCGKSA-N	298.333	1.577	10	20	CDCD	
CC[C@H](NCc1cc(C)cc(OC)c1O)C(=O)NC	894948865	KGOHJLAWDINMMY-NSHDSACASA-N	266.341	1.323	10	20	CDCD	
CC1(C)C(=O)NCCN1Cc1cc(F)cc(F)c1O	894002025	LGDJOPBSDDAKJA-UHFFFAOYSA-N	270.279	1.381	10	20	CDCD	
COc1cc(C)cc(CNCC2(O)CCC2)c1O	894261920	WQNQKRRYGASRHG-UHFFFAOYSA-N	251.326	1.714	10	20	CDCD	
CCOc1ccc(CNC[C@H]2COCO2)c(O)c1	894874031	VCOUCPAKLYIEMQ-LBPRGKRZSA-N	253.298	1.253	10	20	CDCD	
COC(=O)NC(C)(C)C(=O)NCc1ccc(OC)cc1O	794387792	MFOQXJPJQYAMMZ-UHFFFAOYSA-N	296.323	1.152	10	20	CDCD	
CNC(=O)CCNCc1cc(Cl)cc(Cl)c1O	44988340	XJBLTCKMPYGXCS-UHFFFAOYSA-N	277.151	1.925	10	20	CDCD	
COc1ccc(O)c([C@@H](C)N[C@@H]2CCCN(C)C2=O)c1	704374485	AADHTQRVPBFIKS-ZWNOBZJWSA-N	278.352	1.672	10	20	CDCD	
COCCN1CCN(Cc2c(O)cccc2OC)CC1	768220979	VQCUYQVAGUXJTI-UHFFFAOYSA-N	280.368	1.165	10	20	CDCD	
CCC[C@@H](CC)NC(=O)C(=O)NCCc1ccc(N)cc1	1331489525	SQKWDUVEYLCKCV-CQSZACIVSA-N	291.395	1.622	10	20	CDCD	
COc1ccc(CNC[C@](C)(O)C(C)C)c(O)c1OC	1262361986	CPRKVLXLUYHOIK-HNNXBMFYSA-N	283.368	1.906	10	20	CDCD	
Nc1ccc(CNC(=O)N2CC[C@H]3OCCC[C@H]3C2)cc1	1262603897	YMFOFQWAVLEULA-DZGCQCFKSA-N	289.379	1.979	10	20	CDCD	
COc1cc(O)c(CNCCCCC(=O)O)cc1OC	1352202837	GXAXJQUDFCOFHH-UHFFFAOYSA-N	283.324	1.754	10	20	CDCD	
Cc1nnc([C@@H](C)NC(=O)N(C)Cc2ccccc2O)o1	1528443402	NTFPHGGIAXPERP-SECBINFHSA-N	290.323	1.986	10	20	CDCD	
COC[C@H](NCc1cc(Cl)cc(C)c1O)C(=O)O	1606814350	DUQSRIQGBMMKHR-JTQLQIEISA-N	273.716	1.543	10	20	CDCD	
c1nc(Sc2nccs2)cc(-c2nn[nH]n2)n1	1607137407	SMWLLDPUPLBZSC-UHFFFAOYSA-N	263.311	1.264	10	20	CDCD	
O=C(O)c1cnc(SCCCN2CCOCC2)s1	1610862523	FBGJVHRXTMCXNI-UHFFFAOYSA-N	288.394	1.656	10	20	CDCD	
CCOc1ccc(N2CCN(C(=O)C[C@@H](C)N)CC2)cc1	1578181490	HUNLGCRWSMRBQQ-CYBMUJFWSA-N	291.395	1.471	10	20	CDCD	
C[C@@H](NC(=O)NC[C@@]1(C)CNCCO1)c1ccccc1O	1579411628	YXWPRVZUXBWNDP-IAQYHMDHSA-N	293.367	1.131	10	20	CDCD	
C[C@@H](NCc1cc([N+](=O)[O-])ccc1O)[C@@H]1CCCNC1	1576245004	NEZCERYCQUFYKD-GHMZBOCLSA-N	279.340	1.778	10	20	CDCD	
CCCC(=O)NC[C@H](O)CNCc1ccc(OC)c(C)c1	1753901848	DVUPELBQGPEXNK-CQSZACIVSA-N	294.395	1.370	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@H]2CCCCO2)cc1	160175351	VMDZUWYTRBMMII-AWEZNQCLSA-N	262.353	1.938	10	20	CDCD	
CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)Cc1ccc(N)cc1	153667208	HGRKHTGASXWKIN-GHMZBOCLSA-N	277.368	1.231	10	20	CDCD	
COc1cccc(O)c1CN(C)C[C@H]1COCCO1	827140555	LHQGSBQBIYBFOH-NSHDSACASA-N	267.325	1.248	10	20	CDCD	
CCOc1cccc(CN2C[C@H](OC)[C@H](OC)C2)c1O	233821439	NAPPAYBOKKODFH-OKILXGFUSA-N	281.352	1.637	10	20	CDCD	
CS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1ccc(N)cc1	237361131	ZOPAQYGLAPVLCH-LBPRGKRZSA-N	297.380	1.021	10	20	CDCD	
C[C@@H](NCc1ncnn1C)c1ccc(N(C)C)cc1	152953401	SNACPDVJCMLFOT-LLVKDONJSA-N	259.357	1.732	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NCCc2n[nH]c(C)n2)c1	273367838	ABJLIJZSEKHKNB-SECBINFHSA-N	276.340	1.721	10	20	CDCD	
CCOc1cccc(CN2CCS(=O)(=O)C[C@H]2C)c1O	179771540	KEBPVLGECQUOBG-LLVKDONJSA-N	299.392	1.410	10	20	CDCD	
CC[C@H](NCC(=O)NCC1CC1)c1ccccc1O	183330093	GVVINHOHRMFQBU-ZDUSSCGKSA-N	262.353	1.959	10	20	CDCD	
CNC(=O)C[C@H](C)NCc1ccc(N2CCCC2)cc1	298384893	DRXFAPHETLFYMX-ZDUSSCGKSA-N	275.396	1.901	10	20	CDCD	
O[C@@H]1COC[C@@H]1NCc1ccc(N2CCCC2)cc1	323526067	JBQDXXNVYSHKLQ-LSDHHAIUSA-N	262.353	1.136	10	20	CDCD	
Cc1n[nH]c(C)c1CC(=O)NCCc1ccc(N)cc1	701407983	VUJUUJRUTQXULJ-UHFFFAOYSA-N	272.352	1.510	10	20	CDCD	
CC(=O)N1CCC[C@@H](C(=O)N(C)c2ccc(N)cc2)C1	702075035	AUFHHNMBKYYBEF-GFCCVEGCSA-N	275.352	1.490	10	20	CDCD	
Cc1ccc(CCNC(=O)c2cccc(O)c2O)o1	689795874	PLBFXNZJWJEGST-UHFFFAOYSA-N	261.277	1.972	10	20	CDCD	
Nc1ccc(NC(=O)N2CCC[C@H](CO)CC2)cc1	393471979	KPNVSHCRHHNTLX-NSHDSACASA-N	263.341	1.895	10	20	CDCD	
Oc1cc(-c2cc(O)c(O)c(O)c2)cc(O)c1O	5085514	UWULOIFHRZGDFB-UHFFFAOYSA-N	250.206	1.587	10	20	CDCD	
Oc1cc2c(cc1CN1CCCN3CCC[C@@H]3C1)OCO2	52087639	YWVOUIVRMUPHAE-CYBMUJFWSA-N	290.363	1.791	10	20	CDCD	
Cn1cnc(C(=O)NCc2ccc(N3CCCC3)cc2)c1	178923341	LEZBITJSARVUNP-UHFFFAOYSA-N	284.363	1.950	10	20	CDCD	
COc1ccc(N2CC[C@H](CNS(C)(=O)=O)C2)cc1	62575115	JAFRAYADQYNQSE-LLVKDONJSA-N	284.381	1.071	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCCC[C@H]1CO	126279339	XAHCASWTWGAOCE-VIFPVBQESA-N	251.282	1.085	10	20	CDCD	
CSC[C@@](C)(O)CNCc1cc(C)ccc1O	217853035	TYXUEXMCBKXBCZ-ZDUSSCGKSA-N	255.383	1.904	10	20	CDCD	
C[C@@]1(C(N)=O)CCN(Cc2cccc(Cl)c2O)C1	235380799	YDUYWGBPYWJSAN-CYBMUJFWSA-N	268.744	1.743	10	20	CDCD	
Cc1ccc(C(=O)N2CCOCC23CCC3)c(O)c1O	182882650	FEMCLWFINCVMDG-UHFFFAOYSA-N	277.320	1.801	10	20	CDCD	
CCOc1ccc(O)c([C@H]2NC(=O)CN2CC(C)C)c1	77474357	YHKDEZXUIIHJBQ-HNNXBMFYSA-N	278.352	1.877	10	20	CDCD	
CC(C)(C)NC(=O)CCNCc1ccccc1O	134592176	VQDJUMQVUUWJAO-UHFFFAOYSA-N	250.342	1.787	10	20	CDCD	
CN(CCO)C(=O)NCc1ccc2c(c1)CCCN2C	131730386	MANYMZSCTKAFPE-UHFFFAOYSA-N	277.368	1.203	10	20	CDCD	
CCOC(=O)CCNC(=O)Nc1ccc(N)cc1	41681707	NDUJFAOOUJEIQO-UHFFFAOYSA-N	251.286	1.344	10	20	CDCD	
CCOc1cccc(CN[C@@H]2C(=O)NCC[C@@H]2C)c1O	193693979	IVGFXLPJLQSBPU-GWCFXTLKSA-N	278.352	1.405	10	20	CDCD	
C[C@H](NCc1cc2c(cc1O)OCO2)C(=O)OC(C)(C)C	269364357	QBCSMSLUBLNJAF-VIFPVBQESA-N	295.335	1.941	10	20	CDCD	
COC(=O)[C@@H](NCc1cc(F)ccc1O)C1CC1	276408567	FCCOFYAVJXQRDN-LBPRGKRZSA-N	253.273	1.573	10	20	CDCD	
Cc1c(/C=C/C(=O)N(C)c2ccn(C)n2)cnn1C	274760486	HZRIZXIGTRTCBX-AATRIKPKSA-N	259.313	1.138	10	20	CDCD	
Cc1nn(C)c2c1N(C(=O)/C=C/c1cncs1)CCO2	282395715	PGVRYFFZOBOJAJ-ONEGZZNKSA-N	290.348	1.624	10	20	CDCD	
Cc1cc(CN[C@@H](CO)c2cnn(C)c2)ccc1N(C)C	294528402	JMTKMRIXMKHPQO-HNNXBMFYSA-N	288.395	1.618	10	20	CDCD	
CC(=O)C(=O)COC(=O)/C=C/c1ccc2ccccc2n1	808490490	PQORAWAQZWRJIL-CMDGGOBGSA-N	283.283	1.949	10	20	CDCD	
NC(=O)CC1(CNCc2ccc3c(c2)CCO3)CC1	817411265	OGTYCBYWZROJPZ-UHFFFAOYSA-N	260.337	1.367	10	20	CDCD	
CC[C@H]1CN(C)CCN1Cc1cc(OC)ccc1O	816660487	GEOBAJZDQDYGEB-ZDUSSCGKSA-N	264.369	1.927	10	20	CDCD	
O=C(NCCCC1(O)CCC1)c1cccc(O)c1O	817647022	JXWKIIPQVYNLPU-UHFFFAOYSA-N	265.309	1.523	10	20	CDCD	
COC[C@@H](O)CNC[C@@H]1CCN(c2ccc(OC)cc2)C1	819379363	GEXNWTBDJXOBGW-ZFWWWQNUSA-N	294.395	1.118	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(F)c[nH]1	816028215	ADPZDAUVHFHJON-MRVPVSSYSA-N	278.283	1.926	10	20	CDCD	
CN(C)c1ccc(CNC(=O)C[C@H]2CCOC2)cc1F	739536761	OZCDICIQVSZWMV-GFCCVEGCSA-N	280.343	1.935	10	20	CDCD	
NC(=O)[C@H](OC(=O)c1cc(O)cs1)c1ccccc1	731909632	GXJDDOQCFZWOCV-LLVKDONJSA-N	277.301	1.837	10	20	CDCD	
O=C1NC(=S)S/C1=C/c1c[nH]c(C(=O)O)c1	833361336	UFJVPHOXSZUBOY-QHHAFSJGSA-N	254.292	1.202	10	20	CDCD	
COC(=O)C[C@@]1(NC(=O)c2cc(O)cs2)CCCOC1	832353151	ODTXMCQPLQBYPX-ZDUSSCGKSA-N	299.348	1.296	10	20	CDCD	
O=C(NCc1ccccc1O)NCC1(C(=O)O)CCCC1	833146977	POHYHJUKAPHXLO-UHFFFAOYSA-N	292.335	1.836	10	20	CDCD	
CC[C@@H](NC(=O)Cc1ccc(N)cc1)[C@@H]1CCCO1	846684805	SDYURNVPCSBGCT-KGLIPLIRSA-N	262.353	1.885	10	20	CDCD	
Cc1c[nH]nc1C(=O)NC[C@H](N)c1ccc(N(C)C)cc1	911667694	QNZVRKCLJRDCIA-ZDUSSCGKSA-N	287.367	1.214	10	20	CDCD	
Oc1cc2c(cc1CN1CC[C@@H](F)C1)[C@@H](O)CO2	840103650	NIUJHEVWXKTPTL-SKDRFNHKSA-N	253.273	1.362	10	20	CDCD	
COC(=O)C[C@@H](C)c1nc(Cc2ccc(N)cc2)no1	843158679	GMZYREZJMQWTPJ-SECBINFHSA-N	275.308	1.909	10	20	CDCD	
CCc1cccc(CN2C[C@@H](C(=O)OC)C[C@@H](O)C2)c1O	848919863	UAHCCJZVTOPGPB-UONOGXRCSA-N	293.363	1.310	10	20	CDCD	
COc1ccc(CNC(=O)c2c(CO)noc2C)c(O)c1	848022963	IJVWIMVXEOCSNT-UHFFFAOYSA-N	292.291	1.120	10	20	CDCD	
O=C(NC[C@H](CO)CC1CC1)c1cc(O)cs1	855913230	BCZDNBBKRUPRQJ-SECBINFHSA-N	255.339	1.592	10	20	CDCD	
C[C@H]1CCN(Cc2cc(F)ccc2O)C[C@@H]1CO	857061806	VWWHBBRYWXVRRV-CMPLNLGQSA-N	253.317	1.982	10	20	CDCD	
CCN(CC)c1ccc(CN(C)C(=O)C(=O)O)cc1	765020271	KJUITEDTVKSNQG-UHFFFAOYSA-N	264.325	1.576	10	20	CDCD	
CCOc1cccc(CN(C)[C@H]2CCC(=O)N(C)C2)c1O	862427563	AXIHPFONZSUBTN-ZDUSSCGKSA-N	292.379	1.844	10	20	CDCD	
C[C@@H](NC(=O)NCCc1ccnn1C)c1ccccc1O	868502138	GLUQADZKODARLZ-LLVKDONJSA-N	288.351	1.729	10	20	CDCD	
Cc1ccc(C(=O)OCc2cn3cccnc3n2)c(O)c1O	762881192	UMBRLXBSFSGPJK-UHFFFAOYSA-N	299.286	1.806	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN[C@H]1CCNC(=O)CC1	873052322	OFSHVTJPKMFATB-CQSZACIVSA-N	275.396	1.819	10	20	CDCD	
COCCc1nc(CN[C@H](C)c2ccccc2O)no1	879649383	PLVUGPXBPSPCLF-SNVBAGLBSA-N	277.324	1.815	10	20	CDCD	
CN(C)CCOc1ccc(N(C)Cc2ncnn2C)cc1	877343117	VKECMKMIYOFPAG-UHFFFAOYSA-N	289.383	1.392	10	20	CDCD	
CNC(=O)NC(=O)[C@H](C)N[C@H](C)c1ccc(N(C)C)cc1	774482021	DJSPVQNEWMPDKU-MNOVXSKESA-N	292.383	1.247	10	20	CDCD	
CCN(CCCO)Cc1ccc([N+](=O)[O-])c(OC)c1O	774908537	KTFPAKUMEUQPPC-UHFFFAOYSA-N	284.312	1.513	10	20	CDCD	
CC(C)Nc1ccccc1NCC(=O)NC(=O)NC1CC1	871847155	MIADRPMNBXDQQQ-UHFFFAOYSA-N	290.367	1.907	10	20	CDCD	
Cc1cccc(O)c1CNCC1([S@@](C)=O)CC1	877499039	KWKZWEGWTGGHAX-QGZVFWFLSA-N	253.367	1.701	10	20	CDCD	
Cn1ccc(CNC(=O)/C=C\c2ccc(O)c(O)c2)c1	779531104	MQDSJHZFOVAGHD-HYXAFXHYSA-N	272.304	1.766	10	20	CDCD	
COCCOCCN(C)Cc1c(C)cccc1O	877535651	CTRFPYUNPFXBRY-UHFFFAOYSA-N	253.342	1.795	10	20	CDCD	
CCN(CC)c1ccc(CN(C)Cc2nc(O)n[nH]2)cc1	774545897	BNFVREYCRWLFQG-UHFFFAOYSA-N	289.383	1.989	10	20	CDCD	
COCCOCCN[C@H](C)c1c(O)cccc1F	886512259	APEPSVKWWYRUDU-SNVBAGLBSA-N	257.305	1.845	10	20	CDCD	
OC[C@H](CNCc1cc(F)cc(F)c1O)[C@H]1CCOC1	883109329	MYZBMATZSPLRJO-ONGXEEELSA-N	287.306	1.405	10	20	CDCD	
C[C@H](NCCS(=O)(=O)CC1CC1)c1ccccc1O	783517676	HUKHSRXIGOELJD-NSHDSACASA-N	283.393	1.868	10	20	CDCD	
CNC(=O)[C@@H]1CCC[C@@H]1N[C@H](C)c1ccccc1O	783524605	HZXSMKDXOCBJSL-RTXFEEFZSA-N	262.353	1.958	10	20	CDCD	
CCOC(=O)[C@H](C[C@@H]1CCCO1)NCc1ccccc1O	895865020	RJBXOGSABYHWGD-KBPBESRZSA-N	293.363	1.983	10	20	CDCD	
COc1ccc(CNCCOC(C)C)c(O)c1OC	893565117	KEHIAUAZFCYYJR-UHFFFAOYSA-N	269.341	1.924	10	20	CDCD	
CC[C@H]1CC[C@H](C(=O)NCc2ccc(OC)cc2O)O1	794374486	UYXMZMHZCQBFRO-SMDDNHRTSA-N	279.336	1.975	10	20	CDCD	
CC(C)C[C@@H]1COCCN1C(=O)c1cccc(O)c1O	187094579	GFYNNCRHQHZHEU-LLVKDONJSA-N	279.336	1.985	10	20	CDCD	
CN(C)c1ccc(CNC[C@H]2CCO[C@H]2C(=O)O)cc1	716175855	NKMLQBOTOGOJOW-TZMCWYRMSA-N	278.352	1.332	10	20	CDCD	
CCCCOCCNC(=O)NCc1ccc(N)cc1	1336226017	VZEBBOHQVIQGMN-UHFFFAOYSA-N	265.357	1.885	10	20	CDCD	
Cn1c(-c2sccc2O)nnc1N1C[C@H]2[C@H](C1)C2(F)F	1339573123	MPQKVJFENAPPLG-BQBZGAKWSA-N	298.318	1.951	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2ccc(CN)o2)cc1	94570179	ULLYAPVWCRNCHD-UHFFFAOYSA-N	273.336	1.734	10	20	CDCD	
Nc1ccc(CNC(=O)[C@@H]2C[C@@]23CCCNC3)cc1	1342701437	YSUDDKPLMNJURM-DZGCQCFKSA-N	259.353	1.275	10	20	CDCD	
C[C@H](NCc1ccnn1C)c1cc(C(=O)O)ccc1O	1604347418	DEBLAHWBHLSJLX-VIFPVBQESA-N	275.308	1.675	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)c1ccc(C(=O)O)nc1	1574574057	JVEFIXVFLBAHHW-UHFFFAOYSA-N	288.259	1.121	10	20	CDCD	
CN(Cc1c(C(=O)O)cnn1C)c1ccc2c(c1)OCO2	1593757254	XFLMWUQVSJXZDB-UHFFFAOYSA-N	289.291	1.483	10	20	CDCD	
CN(C)c1ccc(/C=C\CN[C@](C)(CO)C(=O)O)cc1	1598314113	BHMROBUZDGALSB-FOSCPCJNSA-N	278.352	1.191	10	20	CDCD	
C[C@H](N[C@@H]1C[C@H](O)C1(C)C)c1cc(C(=O)O)ccc1O	1593218549	GUHWJLWFEADPGU-CKLFPEKLSA-N	279.336	1.900	10	20	CDCD	
CCN(C)c1ccc(CN[C@@](C)(CO)C(=O)O)cc1	1596197523	JRCQYXGZCAZELE-AWEZNQCLSA-N	266.341	1.068	10	20	CDCD	
COc1ccc(O)c(CNC(=O)N[C@H]2C[C@@H](C(=O)O)C2)c1	1599598758	SMOKTQAKZHZMFB-WAAGHKOSSA-N	294.307	1.063	10	20	CDCD	
CCn1ccc(CNCc2ccc(C(=O)O)cc2O)n1	1777011465	UAEVNEMZHXSWER-UHFFFAOYSA-N	275.308	1.597	10	20	CDCD	
O=C(CSc1ccncc1)NCc1ccc(O)c(O)c1	158931696	LZQMFLBKUILBNR-UHFFFAOYSA-N	290.344	1.901	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N[C@H]1CCC[C@@H]1O	160901402	UXJUASHFQFHABA-BZCKNUJPSA-N	263.293	1.141	10	20	CDCD	
C[C@@H](O)C[C@H]1CCCN1Cc1cc2c(cc1O)OCO2	155418032	NASYNRVELQKRSA-ZYHUDNBSSA-N	279.336	1.856	10	20	CDCD	
CCOc1cccc(CN(C)[C@H]2CCN(C)C2=O)c1O	271164456	BRSZIMIYZXACOG-LBPRGKRZSA-N	278.352	1.453	10	20	CDCD	
CCC[C@@](C)(N)C(=O)NCc1ccc(N(C)C)cc1	40825917	VEDMWTIRZKAMSI-OAHLLOKOSA-N	263.385	1.886	10	20	CDCD	
CC1(C)C[C@H](O)CCN(C(=O)c2cccc(O)c2O)C1	296881829	JHMLXPCAMAVOMA-SNVBAGLBSA-N	279.336	1.721	10	20	CDCD	
O=C(O)[C@H]1CCN(Cc2cc(F)cc(F)c2O)C1	708075946	QUBRDRFKHNNMEV-ZETCQYMHSA-N	257.236	1.577	10	20	CDCD	
COc1ccc(O)c(CN2C[C@@H](C(=O)O)C[C@@H](C)C2)c1	398725699	JNNMHYMHMBDXEU-PWSUYJOCSA-N	279.336	1.943	10	20	CDCD	
CC(C)(CCS(C)(=O)=O)NCc1ccccc1O	174639674	RUHQETKITKUNSF-UHFFFAOYSA-N	271.382	1.695	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H](C)c2ncon2)c(O)c1O	182957452	ARGFCSCEZJQMKL-ZETCQYMHSA-N	263.253	1.280	10	20	CDCD	
CN(C)c1ccc(CNC(=O)/C=C\c2cnn(C)c2)cc1	210052914	PTIOAPGOGCVSSG-TWGQIWQCSA-N	284.363	1.816	10	20	CDCD	
COc1ccc(N(C)CC(=O)NC[C@H]2CCCO2)cc1F	131428735	DYSZBQQHKZPAAP-GFCCVEGCSA-N	296.342	1.566	10	20	CDCD	
NC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O	85503238	XGQPYAOTKQLTEZ-UHFFFAOYSA-N	298.345	1.353	10	20	CDCD	
Cc1ccc(O)c(CNCC2(O)CCOCC2)c1	83552382	ZXRJFWGOLXZNHS-UHFFFAOYSA-N	251.326	1.332	10	20	CDCD	
C[C@H](NCC1CCS(=O)(=O)CC1)c1ccccc1O	179893961	REFMSUHUKIKIIN-NSHDSACASA-N	283.393	1.868	10	20	CDCD	
COCCc1noc(CN(C)Cc2cc(C)ccc2O)n1	93587461	BBBBNKOREUSJNS-UHFFFAOYSA-N	291.351	1.905	10	20	CDCD	
COc1cccc(CNC(=O)[C@H]2CCCS2)c1O	266464730	RDYCNQYAJOFMFF-LLVKDONJSA-N	267.350	1.913	10	20	CDCD	
COc1cccc(CNC(=O)NC[C@@H]2CCOC2)c1O	266780301	RLUXWJNLMSFAIQ-JTQLQIEISA-N	280.324	1.237	10	20	CDCD	
NC(=O)C[C@@H]1CCN(Cc2c(O)ccc(Cl)c2F)C1	367704551	OVGQEILDMSDNEK-QMMMGPOBSA-N	286.734	1.882	10	20	CDCD	
CCOc1ccc(O)c(CN[C@@H](C)c2ncnn2C)c1	276672400	KRVOBMCCFDMBNS-JTQLQIEISA-N	276.340	1.770	10	20	CDCD	
CSC1(CNC(=O)c2cccc(O)c2O)CCOCC1	275133591	OBVNOHZJODYEAG-UHFFFAOYSA-N	297.376	1.740	10	20	CDCD	
Cc1ccc(C(=O)N2CCCOCC2)c(O)c1O	378566429	RYUPDTINRIDJSY-UHFFFAOYSA-N	251.282	1.269	10	20	CDCD	
C[C@@H]1CN(Cc2cc(F)ccc2O)C[C@@]2(CCOC2)O1	280241851	KOHNFGLNHMOOSU-IAQYHMDHSA-N	281.327	1.911	10	20	CDCD	
C[C@H](CO[C@H]1CCOC1)NC(=O)c1c(F)ccc(O)c1O	294802107	BWUCBLRAFGHFGV-BDAKNGLRSA-N	299.298	1.161	10	20	CDCD	
C[C@@H](NCc1c(O)ccc(Cl)c1F)C(=O)NCCF	800294013	SMCHFFVKLIWHGA-SSDOTTSWSA-N	292.713	1.749	10	20	CDCD	
Cc1ccc(O)c(CN(C)[C@@H](CO)COC(C)C)c1	809768480	MRZMTXPGWCUHCW-AWEZNQCLSA-N	267.369	1.918	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC[C@@H]2CNCCO2)c1	817983588	OMOJXNAITSHTFS-PWSUYJOCSA-N	266.341	1.040	10	20	CDCD	
C[C@H](NC[C@@H](N)c1ccc(N(C)C)cc1)[C@@H]1CCCO1	817943314	UHBHWXOGBUISCX-MAZHCROVSA-N	277.412	1.910	10	20	CDCD	
CCN(C)c1ccc(CN2CC[C@@H](CC(N)=O)C2)cc1	815118325	NBEXYJBSWONQLI-AWEZNQCLSA-N	275.396	1.840	10	20	CDCD	
C[C@H]1NCC[C@H]1C(=O)NCc1ccc(N(C)C)c(F)c1	827901516	OUYZXCBDIXKRIS-ZYHUDNBSSA-N	279.359	1.506	10	20	CDCD	
Cc1ccc(C(=O)NCC[C@H]2CCCN(C)C2)c(O)c1O	838147196	ONODLDIRGDMUND-GFCCVEGCSA-N	292.379	1.868	10	20	CDCD	
COc1ccc(N2CCC(NC(=O)O)CC2)cc1	738020407	CSTLVFAHPHKUSL-UHFFFAOYSA-N	250.298	1.932	10	20	CDCD	
CCN(C(=O)c1cc(O)cs1)[C@H](C)CS(C)(=O)=O	733002317	ZJIAFARUTMKFDT-MRVPVSSYSA-N	291.394	1.349	10	20	CDCD	
Cc1cnc(CCNC(=O)NCc2ccccc2O)cn1	836687571	VOJZCAZDRRJPSN-UHFFFAOYSA-N	286.335	1.533	10	20	CDCD	
C[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)C(=O)O	739031554	OGZMSWHFTHRMKX-SNVBAGLBSA-N	282.315	1.225	10	20	CDCD	
NC(=O)C1(NCc2c(O)cccc2Br)CC1	862324429	MJTQNSURCINHFR-UHFFFAOYSA-N	285.141	1.262	10	20	CDCD	
CC(C)(NC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)O	833460262	XYUCNWARRLKORX-GQCTYLIASA-N	265.265	1.090	10	20	CDCD	
CS[C@@H]1CCN(C(=O)C(=O)Nc2ccc(N)cc2)C1	841136646	BIFHLRLDAPJUPQ-LLVKDONJSA-N	279.365	1.171	10	20	CDCD	
CCCC[C@H](CN)NC(=O)NCc1cccc(OC)c1O	841959232	OKXUQUKVONRIBG-GFCCVEGCSA-N	295.383	1.718	10	20	CDCD	
C[C@@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)C[C@H]1N	841651924	CFPSPHDSSLLMQL-BXUZGUMPSA-N	276.384	1.241	10	20	CDCD	
Nc1ccc(NC(=O)CNC(=O)N2CCCC2)cc1	911659784	DRHXYNNUJYTASX-UHFFFAOYSA-N	262.313	1.013	10	20	CDCD	
CC[C@H](C)C[C@@H](CO)NC(=O)c1cccc(O)c1O	844032635	GKPXRDSBCBHGSF-UWVGGRQHSA-N	267.325	1.625	10	20	CDCD	
CC[C@@H](N)CNC(=O)N[C@H](C)c1cc(OC)ccc1O	842005688	JMJOSTDDWSMPPG-NXEZZACHSA-N	281.356	1.498	10	20	CDCD	
COc1cc(O)c(CN2CC[C@@]3(CCCN3)C2)cc1OC	841105275	GPSNWCOECFMFHZ-INIZCTEOSA-N	292.379	1.737	10	20	CDCD	
CCNCCNC(=O)N[C@H](C)c1ccc(N(C)C)cc1	841883009	QRAYVJPUOFXEOM-GFCCVEGCSA-N	278.400	1.722	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@H]2CCC(=O)C2)cc1F	843780074	ZVJXMTMNNSVMTH-NSHDSACASA-N	278.327	1.877	10	20	CDCD	
COc1cccc(O)c1CN[C@H]1CCC[C@@H](N)C1	841054793	HTZYACIBFMNSMP-MNOVXSKESA-N	250.342	1.760	10	20	CDCD	
Cc1ccc(C(=O)N[C@H](C)c2nccn2C)c(O)c1O	856280067	IMOCIGUNTMLELS-SECBINFHSA-N	275.308	1.631	10	20	CDCD	
CN(C)c1ccc([C@@H](N)CNC(=O)CCCF)cc1	852792659	ZCPMJCYGLHHUNR-ZDUSSCGKSA-N	267.348	1.618	10	20	CDCD	
COC(=O)[C@](C)(CO)NCc1ccc(N(C)C)c(C)c1	852159945	VFZOUEAASLZPLD-HNNXBMFYSA-N	280.368	1.075	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)C1CC(OC)C1	935945336	UECDYXDTAFGXAD-UHFFFAOYSA-N	284.352	1.919	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)C2CSC2)c1	866764770	OUEFBXPOAOAOGY-MRVPVSSYSA-N	267.350	1.941	10	20	CDCD	
CN(Cc1cc2c(cc1O)OC[C@H]2O)[C@H]1CCSC1	768466318	YSXVPUUAGYEUKC-GXFFZTMASA-N	281.377	1.755	10	20	CDCD	
COc1ccc(CNC(=O)C2(F)CCOCC2)c(O)c1	867955489	BCFIWIKBLUKBNW-UHFFFAOYSA-N	283.299	1.536	10	20	CDCD	
COc1ccc(CNC(=O)CCC2(O)CCC2)c(O)c1	867956072	LVAHFBZASUIZCT-UHFFFAOYSA-N	279.336	1.712	10	20	CDCD	
CN(C)c1cc(F)c(CN2CCC[C@@H](O)C2)cc1F	862212688	UXMWFIWDXTVMJK-LLVKDONJSA-N	270.323	1.988	10	20	CDCD	
CCc1ncc(S(=O)(=O)NCc2ccccc2O)s1	763576281	COSDFSBRDJSXIT-UHFFFAOYSA-N	298.389	1.890	10	20	CDCD	
CC(C)CNC(=O)NC(=O)CN[C@H](C)c1ccccc1O	879647727	JKALJCOBCXUCDS-LLVKDONJSA-N	293.367	1.525	10	20	CDCD	
CCN(Cc1ccc(N2CCC(O)CC2)cc1)[C@@H](C)CO	877551963	FPXHNXWMOREJRL-AWEZNQCLSA-N	292.423	1.850	10	20	CDCD	
COc1ccc(O)c([C@H](C)NCc2nnnn2C2CC2)c1	775369690	FKBKJAVAYUKUKQ-VIFPVBQESA-N	289.339	1.573	10	20	CDCD	
CN(C(=O)[C@@H]1CCc2nccn2C1)c1ccc(N)cc1	877074380	IITCGKQKLKQCMQ-LLVKDONJSA-N	270.336	1.691	10	20	CDCD	
CC[C@@]1(NCc2ccc([N+](=O)[O-])c(OC)c2O)CCOC1	775115557	LHJIEDKLPKHASS-CQSZACIVSA-N	296.323	1.968	10	20	CDCD	
CCN(C)c1ccc(Cn2cc(CCN)nn2)cc1	881313203	CZHVEVDZJHYXHR-UHFFFAOYSA-N	259.357	1.284	10	20	CDCD	
C[C@H](NC(=O)c1cc(O)cs1)c1ncnn1C	789918206	JXVYJXSTPDTVJQ-LURJTMIESA-N	252.299	1.073	10	20	CDCD	
CC(C)(C)C[C@@H](O)C(=O)OCC(=O)c1ccc(O)c(O)c1	784338561	MGQXVJYBBKPIAK-GFCCVEGCSA-N	296.319	1.621	10	20	CDCD	
COc1cc(C)cc(CN2CCC[C@@H](OCCO)C2)c1O	894016322	AXUUVIRWBXVYCU-CQSZACIVSA-N	295.379	1.683	10	20	CDCD	
COc1cccc(CN2[C@@H](C)[C@H](C)NC(=O)[C@H]2C)c1O	895115291	OWMGVIRRXIAXNY-GARJFASQSA-N	278.352	1.498	10	20	CDCD	
CC[S@](=O)CCNCc1ccc(OC)c(OC)c1O	892950265	BRCYSBBTOCCSFI-IBGZPJMESA-N	287.381	1.268	10	20	CDCD	
COCCCNC(=O)NCc1ccc(OC)cc1O	792762882	TUFIINCESZXNME-UHFFFAOYSA-N	268.313	1.237	10	20	CDCD	
COc1cc(C)cc(CNC[C@H]2COCO2)c1O	894886166	CISNLLAUNNZHBL-NSHDSACASA-N	253.298	1.172	10	20	CDCD	
CC[C@H](NCC(=O)N1CCOCC1)c1ccc(C)cc1O	794817938	RMTKMGLLFFQFJM-AWEZNQCLSA-N	292.379	1.600	10	20	CDCD	
CC[C@@]1(NC(=O)/C=C/c2ccc(O)c(O)c2)CCOC1	791428218	IKWKPOMKVWOOTA-CSPWOOARSA-N	277.320	1.796	10	20	CDCD	
C[S@](=O)C1(CNC(=O)c2cc(O)cs2)CCC1	798123770	UMOHBLDESQWCPV-KRWDZBQOSA-N	273.379	1.485	10	20	CDCD	
CC[C@@H](NCc1cc(Cl)c(C)cc1O)C(=O)NC	1328758499	HBNUGCLPCXWSEW-LLVKDONJSA-N	270.760	1.968	10	20	CDCD	
COc1cccc(O)c1CN1CCC[C@@H](N(C)C)C1	769302234	QDPLQVOKRYXPLR-GFCCVEGCSA-N	264.369	1.927	10	20	CDCD	
CCn1c([C@@H](C)CO)nnc1N(C)Cc1ccccc1O	1340878209	KHOOTZFWSNFJBO-NSHDSACASA-N	290.367	1.736	10	20	CDCD	
Cc1c([C@@H](C)NC(=O)NCc2ccc(N)cc2)cnn1C	1262562463	BHFPVYZAATVESM-SNVBAGLBSA-N	287.367	1.871	10	20	CDCD	
Nc1ccc(CNC(=O)[C@@H]2C[C@H]2C2CCNCC2)cc1	1515330893	BCBOSHBWPCRLAM-LSDHHAIUSA-N	273.380	1.521	10	20	CDCD	
Cc1ccc(C(=O)Nc2n[nH]cc2C(=O)O)c(O)c1O	1605252825	JPBSQTJRPGLUBI-UHFFFAOYSA-N	277.236	1.080	10	20	CDCD	
O=C(O)c1cncnc1NCc1cc(O)ccc1O	1602543479	PTKSCCXPHHLJFX-UHFFFAOYSA-N	261.237	1.198	10	20	CDCD	
Cc1cccc(CN(CCC(=O)O)CC(=O)O)c1O	1607851132	GUECZDNEPPJMBL-UHFFFAOYSA-N	267.281	1.062	10	20	CDCD	
Cc1cccc(CN2CCc3[nH]nc(C(=O)O)c3C2)c1O	1600533798	XWTLZVSWQNCSPO-UHFFFAOYSA-N	287.319	1.680	10	20	CDCD	
C[C@@H]1CC[C@@H](C(N)=O)[C@@H](C)N1C(=O)Cc1ccc(N)cc1	1576647228	MNJWTBYPZXSRPX-JTNHKYCSSA-N	289.379	1.312	10	20	CDCD	
O=C(O)C1(C(=O)NCc2c(O)cccc2O)CC=CC1	1594862923	QWYSLVUMAICFAB-UHFFFAOYSA-N	277.276	1.135	10	20	CDCD	
OCCOCCNCc1ccc(N2CCCCC2)cc1	20199155	NCAGXFUMKZEWJA-UHFFFAOYSA-N	278.396	1.775	10	20	CDCD	
Nc1ccc(NC(=O)N2CC[C@H]3NC(=O)CC[C@@H]3C2)cc1	160425030	JXRDJZUNWIVFKB-ZWNOBZJWSA-N	288.351	1.401	10	20	CDCD	
CC(C)NC(=O)[C@H](C)NCc1ccc2c(c1)CCO2	228937322	FFIRQFPHNPDYJO-NSHDSACASA-N	262.353	1.624	10	20	CDCD	
C[C@H](O)C[C@@H](C)CNC(=O)Cc1ccc(N)cc1	160568054	JPJOSUIZQIJYTB-MNOVXSKESA-N	250.342	1.335	10	20	CDCD	
CN(Cc1ccccc1O)S(=O)(=O)c1ccc(N)cc1	40335330	VFSYBXZMSYQWRU-UHFFFAOYSA-N	292.360	1.795	10	20	CDCD	
COc1ccc(O)c([C@@H](C)N[C@@H](C)c2ncn(C)n2)c1	275639456	CJIAPHCZCZWKNF-ZJUUUORDSA-N	276.340	1.941	10	20	CDCD	
Oc1ccc(F)cc1CN1CC[C@@]2(CCNC2)C1	310866889	PXMMARKXAITJNC-CQSZACIVSA-N	250.317	1.717	10	20	CDCD	
Cc1ccc(O)c([C@@H](C)N[C@@H]2CCCN(C)C2=O)c1	704339053	IHGIBBXIFDQHJI-DGCLKSJQSA-N	262.353	1.972	10	20	CDCD	
NC(=O)[C@@H]1CCN(Cc2c(O)cccc2Br)C1	707153053	SZMCFSONCJPCPE-MRVPVSSYSA-N	299.168	1.462	10	20	CDCD	
CCN(CCNC(=O)c1ccc(C)c(O)c1O)C1CC1	177679744	SHTWDSHYGWYRLH-UHFFFAOYSA-N	278.352	1.620	10	20	CDCD	
Cc1ccc([C@H](O)CNC(=O)c2cccc(O)c2O)cc1	186929002	APXFAGVLJAITLD-CQSZACIVSA-N	287.315	1.870	10	20	CDCD	
C[C@H](N)CC(=O)N1CCOc2cc(N(C)C)ccc21	431019514	PYRBUBDEPBGCJD-JTQLQIEISA-N	263.341	1.215	10	20	CDCD	
C[C@H](NCCCO)c1ccc(N2CCOCC2)c(F)c1	268698111	DCRRQOYEHOZWNO-LBPRGKRZSA-N	282.359	1.695	10	20	CDCD	
CO[C@H](C)CCNC(=O)/C=C/c1ccc(O)c(O)c1	272346195	AHSXXEMPYMSPDP-DFVUYQKZSA-N	265.309	1.652	10	20	CDCD	
CN(C)c1ccc(CN2CC[C@@](C)(O)C2)cc1F	271235209	WJGZXJZHPRNOIE-CQSZACIVSA-N	252.333	1.848	10	20	CDCD	
CN(C)c1ccc(CN2CC(=O)N(CC3CC3)C2)cc1	279012527	FORXIIKGVIZCPY-UHFFFAOYSA-N	273.380	1.764	10	20	CDCD	
Cc1ccc([C@H](C)NCCN2C(=O)CNC2=O)c(O)c1C	273710897	KOZKTRKWHUJMKM-NSHDSACASA-N	291.351	1.211	10	20	CDCD	
CO[C@H]1CN(Cc2ccc(N(C)C)c(F)c2)C[C@H]1OC	277242582	NHYQCXDAIDLVRG-GASCZTMLSA-N	282.359	1.737	10	20	CDCD	
C[C@H](NC[C@H]1CN(C)CCN1C)c1ccc(F)c(F)c1O	276983168	WIXGYXPDVYKMQS-QWRGUYRKSA-N	299.365	1.567	10	20	CDCD	
COc1ccc(O)c(CN[C@@H]2CCc3c[nH]nc3C2)c1	376859202	YCNRNLDCXYWATP-GFCCVEGCSA-N	273.336	1.771	10	20	CDCD	
C[C@H]1CN(C(=O)c2cccc(O)c2O)C[C@@]2(CCOC2)O1	280507379	LGPDCMZXNLMZME-ZUZCIYMTSA-N	293.319	1.118	10	20	CDCD	
COc1ccc(N2CCN(c3nnc(C)o3)CC2)cc1	287130953	WVWXCAAKWDPMBE-UHFFFAOYSA-N	274.324	1.713	10	20	CDCD	
COc1ccc(Br)c(OCC(=O)C(C)=O)c1	289757049	VDSRGXOGAILSLD-UHFFFAOYSA-N	287.109	1.995	10	20	CDCD	
CCNC(=O)[C@@H](NCc1cc2c(cc1O)OCO2)C(C)C	292877578	DTOHXJWQNVALQK-AWEZNQCLSA-N	294.351	1.371	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CC[C@@H](n2cccn2)C1	291145731	IBQWFXQJPKUNNP-SNVBAGLBSA-N	273.292	1.382	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)[C@H](CN)OC	290053505	UEHGLHIJPNZTON-ZDUSSCGKSA-N	266.341	1.105	10	20	CDCD	
C[C@H](NC(=O)N1CCO[C@H]2C[C@@H]21)c1ccc(N(C)C)cc1	813719037	JVBJOGUBOBWBQH-CQDKDKBSSA-N	289.379	1.996	10	20	CDCD	
Cc1cc(CNC2(C(N)=O)CCCC2)ccc1N(C)C	815070951	AXWOLVXVOYZJBR-UHFFFAOYSA-N	275.396	1.949	10	20	CDCD	
C[C@@H](NCCN)c1ccc(N2CCOCC2)c(F)c1	817934632	LXHXSOVEYFGQFP-LLVKDONJSA-N	267.348	1.272	10	20	CDCD	
Cc1nn(C)cc1CC(=O)N[C@H](C)c1ccccc1O	827952409	RFMQWQSCDHJLLC-LLVKDONJSA-N	273.336	1.854	10	20	CDCD	
C[C@H]1C[C@H](NC(=O)NCc2ccc(N(C)C)cc2)CO1	825602662	LPTJLILQERWHHS-AAEUAGOBSA-N	277.368	1.729	10	20	CDCD	
CCCONC(=O)NCc1ccc(N(C)C)cc1	828232102	LZKUMIZSSGMNLB-UHFFFAOYSA-N	251.330	1.893	10	20	CDCD	
COc1ccc(O)c(CNC(=O)NCc2cocn2)c1	734069742	NWRXYKKMMPOVSY-UHFFFAOYSA-N	277.280	1.388	10	20	CDCD	
C[C@@H]1CN(Cc2ccc(N(C)C)c(F)c2)C[C@@H](C(=O)O)O1	901934986	UCNDIXJQTRJYIG-YGRLFVJLSA-N	296.342	1.566	10	20	CDCD	
CC[C@H]1C[C@@H](C(=O)NCc2ccc(O)cc2O)CCO1	910949598	LOZKLXISHGHYFD-GWCFXTLKSA-N	279.336	1.919	10	20	CDCD	
CO[C@@H](C(=O)NCc1ccc(O)cc1O)C(C)C	910947661	JAXVGUXEKYDVHS-GFCCVEGCSA-N	253.298	1.385	10	20	CDCD	
COc1ccc(CNC(=O)[C@H]2CC23CCNCC3)c(O)c1	832178423	RBZVVTXTEPQGSK-CYBMUJFWSA-N	290.363	1.407	10	20	CDCD	
CCOC[C@H](C)NC[C@@H](N)c1ccc(N(C)C)cc1	841045826	QYEFEDNWTVKUMW-SWLSCSKDSA-N	265.401	1.767	10	20	CDCD	
O=C(NCc1ccccc1O)N[C@@H]1CCN(CC(F)F)C1	841594603	MEMXSLFTMVGEGJ-LLVKDONJSA-N	299.321	1.531	10	20	CDCD	
Cc1ccc(C(=O)N2CCC[C@@H](CO)[C@@H]2C)c(O)c1O	840555565	AGTQOLAVHJUNOU-QWRGUYRKSA-N	279.336	1.639	10	20	CDCD	
COc1ccc(N(C)CCN(C)C(=O)c2cc[nH]n2)cc1	844853005	PZWKMWFUJOJGCS-UHFFFAOYSA-N	288.351	1.627	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1CCS(=O)(=O)C[C@H]1C	840918358	SRCASUZMFWGBAT-CYBMUJFWSA-N	296.436	1.680	10	20	CDCD	
CCOc1ccc(CN2CC(S(C)(=O)=O)C2)c(O)c1	841887633	UHPLIHDQNLUZQR-UHFFFAOYSA-N	285.365	1.020	10	20	CDCD	
CC[C@@H](N)CNC(=O)NCc1ccc2c(c1)CCCN2C	841760301	UJYZZIJQXFTNSZ-CQSZACIVSA-N	290.411	1.606	10	20	CDCD	
COc1cccc(CN2CCC[C@H](CO)[C@@H]2C)c1O	840976440	BWKGEKGSEXZCND-WCQYABFASA-N	265.353	1.994	10	20	CDCD	
COC(=O)c1cnc(SCC[S@](C)=O)s1	842579723	AFGIHVJCMXELCU-HNNXBMFYSA-N	265.381	1.400	10	20	CDCD	
CCN1CCC[C@@H](NCc2cc([N+](=O)[O-])ccc2O)C1=O	922639382	JXNYVGOVMTUSEX-GFCCVEGCSA-N	293.323	1.401	10	20	CDCD	
CCNC(=O)[C@H](C)N[C@@H](C)c1cc(F)cc(F)c1O	756354758	COUXQMLLJNZGBC-YUMQZZPRSA-N	272.295	1.846	10	20	CDCD	
C[C@@H]1C[C@H](NC[C@]2(O)CCOC2)c2c(O)ccc(F)c21	756769822	NYYBHNQAKHRFCO-BPYAMOTFSA-N	281.327	1.821	10	20	CDCD	
Cc1c(CNC(=O)N[C@H](C)c2ccccc2O)cnn1C	868445734	LMLJEEDNJQIPOY-SNVBAGLBSA-N	288.351	1.995	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)CCn2cccn2)c1	862759757	KQVGVYWIZFYWJB-UHFFFAOYSA-N	259.309	1.604	10	20	CDCD	
Cc1ccc(C(=O)OC[C@@H]2CCO[C@@H]2C)c(O)c1O	869375574	ZNQGSBDQWCGECQ-ZJUUUORDSA-N	266.293	1.988	10	20	CDCD	
COC(=O)[C@@]1(C)CN(C(=O)c2cccc(O)c2O)C[C@@H]1C	869834922	BCEASIFEVWRWRJ-VFZGTOFNSA-N	293.319	1.369	10	20	CDCD	
COc1ccc(CNC(=O)[C@@H](N)CCC(C)C)c(O)c1	876910490	DDMCMGOFCYKQFG-ZDUSSCGKSA-N	280.368	1.781	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@H]2CCO[C@H](C)C2)c1	776475981	ITASSHUCPZETGI-MNOVXSKESA-N	279.336	1.832	10	20	CDCD	
C[C@@H](NCCn1ccc([N+](=O)[O-])n1)c1ccccc1O	879648392	MQQUTUYYKKHTGX-SNVBAGLBSA-N	276.296	1.848	10	20	CDCD	
CCS(=O)(=O)C[C@H](C)NCc1ccc(C)cc1O	877029142	SYAMYDHMPHPWPQ-NSHDSACASA-N	271.382	1.613	10	20	CDCD	
Cc1ccc(CN[C@@H](C)[C@@H]2CN(C)CCO2)c(O)c1	877100216	QSVPCJHKSQZWOC-WFASDCNBSA-N	264.369	1.509	10	20	CDCD	
Cc1ccc(CN(C)[C@H]2CCN(S(C)(=O)=O)C2)c(O)c1	877545823	MIIDUZUBTMPEIK-ZDUSSCGKSA-N	298.408	1.166	10	20	CDCD	
CCOC(=O)N1CCCN(Cc2ccc(N)cc2)CC1	1120371377	XCVWTIXFEWRNSL-UHFFFAOYSA-N	277.368	1.933	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNCc2cc[nH]n2)c1O	774952471	URRGXDBNGUFTIP-UHFFFAOYSA-N	278.268	1.322	10	20	CDCD	
Cc1nnc2c(N[C@H](C)Cc3ccc(O)c(O)c3)nccn12	1120921718	VBFRYROOAOHQNP-SECBINFHSA-N	299.334	1.887	10	20	CDCD	
O=C(NCc1cccc(O)n1)c1cc(O)cs1	783661521	PHGRSJCNFTWFLH-UHFFFAOYSA-N	250.279	1.484	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCOCCN1	893052217	DJUQRLPQJSGHCC-UHFFFAOYSA-N	292.383	1.107	10	20	CDCD	
CCNC(=O)CC(=O)N[C@H](C)c1cc(OC)ccc1O	780985510	RFYGRSVGKAWGGI-SECBINFHSA-N	280.324	1.104	10	20	CDCD	
O=C(COC(=O)[C@@H]1CCCOC1)c1ccc(O)c(O)c1	783440211	VKZIUFAIEYNTBI-SNVBAGLBSA-N	280.276	1.250	10	20	CDCD	
COc1ccc(O)c(CN(C)[C@H]2CCS(=O)(=O)C2)c1	132406937	MLAYHZZUZAZNBU-NSHDSACASA-N	285.365	1.020	10	20	CDCD	
Cc1nc([C@H]2CCN(Cc3ccccc3O)C2)n[nH]1	895007538	FABVKUSNNJCJIS-LBPRGKRZSA-N	258.325	1.808	10	20	CDCD	
C[C@@]1(C(N)=O)CCN(Cc2c(O)ccc3ccncc23)C1	794711874	LCCBNLGHNLVNIV-MRXNPFEDSA-N	285.347	1.638	10	20	CDCD	
O=C(Nc1ccc(-n2cnnn2)cc1)c1cccc(O)c1O	790512001	GXJGTXUOZJRDRH-UHFFFAOYSA-N	297.274	1.326	10	20	CDCD	
Cc1ccc(C(=O)NCC2([S@](C)=O)CC2)c(O)c1O	799774822	KRYRMIPERPNUJZ-IBGZPJMESA-N	283.349	1.047	10	20	CDCD	
COC[C@@H](CCO)NCc1c(O)ccc(Cl)c1F	790967199	GYXCPCKHYRRYPG-MRVPVSSYSA-N	277.723	1.672	10	20	CDCD	
CC(=O)NCCC1=CCN(c2ccc([N+](=O)[O-])cn2)CC1	1089802769	WEBHKJDNVQTLBN-UHFFFAOYSA-N	290.323	1.653	10	20	CDCD	
COC(C)(C)CC(=O)NCCc1ccc(O)c(O)c1	279825788	KJHWEPMMEMVELU-UHFFFAOYSA-N	267.325	1.572	10	20	CDCD	
CN(C)c1ccc([C@H](N)CNC(=O)CCCC(=O)O)cc1	1333146480	WTDDRBYBDQGHOZ-CYBMUJFWSA-N	293.367	1.124	10	20	CDCD	
COc1cc(C)cc(CN(C)Cc2cn(C)nn2)c1O	1330047632	WVCZPGBOXYAASA-UHFFFAOYSA-N	276.340	1.470	10	20	CDCD	
Nc1ccc(CNC(=O)N[C@H]2CCCNCC2)cc1	1336918400	LDPGZKLJRFLQBN-ZDUSSCGKSA-N	262.357	1.210	10	20	CDCD	
COC(=O)[C@H]1CCC[C@@H]1NC(=O)c1ccc(C)c(O)c1O	1337483730	UWQIWYKIOBQFHN-ONGXEEELSA-N	293.319	1.478	10	20	CDCD	
CN(Cc1ccccc1O)CC1(CS(C)(=O)=O)CC1	767424628	IJYRKPIPOCQKGA-UHFFFAOYSA-N	283.393	1.649	10	20	CDCD	
CN(C)c1ccc(CNCC(=O)O)c(C(F)(F)F)c1	1332472904	AHZPDXCYCYZIIN-UHFFFAOYSA-N	276.258	1.946	10	20	CDCD	
C[C@H](N)C[C@@H](C)NC(=O)NCc1ccc(N)cc1	1346499823	DOGIZAQTNHRBDH-VHSXEESVSA-N	250.346	1.194	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)[C@H]1CNCCN1C	1340021552	ZLKZKFLACSIUIK-CQSZACIVSA-N	291.395	1.034	10	20	CDCD	
C[C@@H]1O[C@H](C)[C@@H](C(=O)NCc2cccc(O)c2O)[C@@H]1C	1520508644	IGDBAXDHJLRARS-COMAGPEQSA-N	279.336	1.774	10	20	CDCD	
Cc1ccc(CNC2(CC(=O)O)CCOCC2)c(O)c1	1600418814	NBNQPYSIOBYUHZ-UHFFFAOYSA-N	279.336	1.814	10	20	CDCD	
CCCC[C@H](NCc1ccc2c(c1)CCO2)[C@@H](O)C(=O)O	1776774881	RQHBLYLHZUSXAM-DZGCQCFKSA-N	293.363	1.715	10	20	CDCD	
Cc1conc1NC(=O)NCCc1ccc(O)c(O)c1	159650273	ZEZWWOJLZIJIPN-UHFFFAOYSA-N	277.280	1.758	10	20	CDCD	
Nc1ccc(CC(=O)NC[C@H]2CCN(C3CC3)C2)cc1	37649626	RAPNKMAGNOFFPJ-CYBMUJFWSA-N	273.380	1.412	10	20	CDCD	
CCN(CC)c1ccc(CNCc2cnn(C)n2)cc1	290082050	IZQFDHDVPFRJHS-UHFFFAOYSA-N	273.384	1.951	10	20	CDCD	
Cn1cc(CN2CCCc3cc(CN)ccc32)nn1	700925878	XGXZKDSRIPRTFF-UHFFFAOYSA-N	257.341	1.227	10	20	CDCD	
Cc1ccc([C@H](C)N[C@@H]2CCOC[C@H]2O)c(O)c1	706722699	NRTIWJWFVSFVEO-ZKYQVNSYSA-N	251.326	1.501	10	20	CDCD	
Cc1ccc([C@H](C)NC[C@@H](O)CN(C)C)c(O)c1	717355855	XALNTWXVPWQRDB-NWDGAFQWSA-N	252.358	1.274	10	20	CDCD	
OC[C@H](C[C@@H]1CCCO1)N[C@@H]1CCc2cccc(O)c21	886670234	LDWFDWDVSJEDNB-MELADBBJSA-N	277.364	1.899	10	20	CDCD	
Cc1ccc(NC=C2C(=O)N(C)C(=O)N(C)C2=O)c(C)c1	60860846	PJARNYQKXTXEHP-UHFFFAOYSA-N	287.319	1.650	10	20	CDCD	
CN(CCn1cccn1)Cc1cc2c(cc1O)OCO2	111169200	GFAXZBOFJZKGCV-UHFFFAOYSA-N	275.308	1.449	10	20	CDCD	
CC(=O)N(C)CC(=O)NCc1ccc(N(C)C)cc1C	115281037	UPVIDQOMEVUAMH-UHFFFAOYSA-N	277.368	1.156	10	20	CDCD	
CC(C)OCCC(=O)NCCc1ccc(O)c(O)c1	122359653	DYQKONXTAHVXJN-UHFFFAOYSA-N	267.325	1.572	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NCC2(CO)CCC2)cc1	182453899	HNVFJUYLPBOEQD-UHFFFAOYSA-N	291.395	1.714	10	20	CDCD	
O=C(CNC(=O)c1cccc(O)c1O)Nc1ccccc1	186975738	IZMFBRFRTPZMBV-UHFFFAOYSA-N	286.287	1.466	10	20	CDCD	
CN1CCC(N(CCO)Cc2cc(F)ccc2O)CC1	183249203	NPQOAXKJBJLYIK-UHFFFAOYSA-N	282.359	1.420	10	20	CDCD	
CNCCN(C)Cc1cc(Cl)cc(OC)c1O	229103954	GPEJPONPMXQCQF-UHFFFAOYSA-N	258.749	1.705	10	20	CDCD	
COCC(=O)N1CCN(Cc2cccc(Cl)c2O)CC1	179673515	ADNOLICQNCOHAH-UHFFFAOYSA-N	298.770	1.336	10	20	CDCD	
CCOc1ccc(O)c(CN2CC[C@@H](O)[C@@H](C)C2)c1	250112640	TWCGFIQHSNTDKJ-SMDDNHRTSA-N	265.353	1.994	10	20	CDCD	
Cc1cc(C(=O)NCC2CNC2)c(C)n1-c1ccccn1	262037348	QRPGQWOSFZDPEH-UHFFFAOYSA-N	284.363	1.438	10	20	CDCD	
COC(=O)CCN(CC(C)C)C(=O)c1cccc(O)c1O	274922924	BMAJYMDAVRYYCK-UHFFFAOYSA-N	295.335	1.759	10	20	CDCD	
Cc1nn(C)c(=O)c(C(=O)NCc2ccccc2O)c1C	271112912	JIQXKCDNHNJYPP-UHFFFAOYSA-N	287.319	1.033	10	20	CDCD	
O=C(CC1CCOCC1)NCc1ccc(O)c(O)c1	272400209	YTEBTLBVULDUCM-UHFFFAOYSA-N	265.309	1.531	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)[C@@H](C)O)cc1	276214550	KNIVTEILVOSDEO-LLVKDONJSA-N	250.342	1.530	10	20	CDCD	
Cc1ccc(O)c(CN[C@H](C)C(=O)NCCF)c1	282707223	PHZLLEQWQOOYHK-SNVBAGLBSA-N	254.305	1.264	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)[C@H]1CC12CCOCC2	378505799	FHFLMHUEVWBFHH-LLVKDONJSA-N	277.320	1.531	10	20	CDCD	
COCCN(CCN(C)C)Cc1ccccc1O	289385040	DALJIWICBHPJCM-UHFFFAOYSA-N	252.358	1.402	10	20	CDCD	
CC(=O)C(=O)CSc1nnc(-c2ccc(F)cc2)n1C	808013561	HVEUZMPAKDNULJ-UHFFFAOYSA-N	293.323	1.871	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CCCN1	563214561	XZAVWATZENZDNL-LBPRGKRZSA-N	275.352	1.230	10	20	CDCD	
O=C(NCCc1cn[nH]c1)NCc1ccccc1O	811932441	TYRKLNZQCOOMMZ-UHFFFAOYSA-N	260.297	1.157	10	20	CDCD	
C[C@H](NC[C@@H]1CNCCO1)c1ccc(F)cc1O	817984401	XOBDFIJSBSNGAV-ONGXEEELSA-N	254.305	1.170	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@@H]2CC[C@@H](CN)C2)c1	817983132	YSUYMGJJQROBHO-DMDPSCGWSA-N	292.379	1.957	10	20	CDCD	
COc1ccc2c(c1)C[C@H](C(C)C)CN2CC(N)=O	817299308	XVPXLBRKXMSPCX-LBPRGKRZSA-N	262.353	1.815	10	20	CDCD	
CC[C@@H](C)[C@](C)(O)CNC(=O)c1c(F)ccc(O)c1O	825972741	BKXRKTOPNALUKA-XLKFXECMSA-N	285.315	1.764	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@H](N)CC(C)C)c1	828667291	PBTNKHQEHXDZKB-ZWNOBZJWSA-N	280.368	1.951	10	20	CDCD	
O=C(O)/C=C/c1ccc(N2CCC[C@@H]2CO)c([N+](=O)[O-])c1	739627248	XSBFUUJMMVWWJC-DUMNWFOQSA-N	292.291	1.654	10	20	CDCD	
CC[C@H](CO)N(C)C(=O)NCc1ccc(N(C)C)cc1C	838478252	JCWJKHISDQFPRI-CQSZACIVSA-N	293.411	1.973	10	20	CDCD	
COc1ccc(CNC(=O)NC[C@H](C)N(C)C)c(O)c1	836622403	ASUURAOJKGTRBH-JTQLQIEISA-N	281.356	1.150	10	20	CDCD	
C[C@@H]1[C@@H](C)N(C(=O)c2cc(O)cs2)[C@H](C)C(=O)N1C	912014259	QYPWLYBXDBLVKH-IWSPIJDZSA-N	282.365	1.533	10	20	CDCD	
O=C(CCCn1cncn1)NCc1cc(Cl)ccc1O	846476109	LDJIMHZCNMOQTC-UHFFFAOYSA-N	294.742	1.734	10	20	CDCD	
COc1cc(Cl)cc(CN[C@@H](CN)C2CC2)c1O	841028028	JOWADMWXPJHPSZ-NSHDSACASA-N	270.760	1.881	10	20	CDCD	
CC(=O)NC(C)(C)c1noc(Cc2ccc(N)cc2)n1	842567102	HJNHIAKYEMWPED-UHFFFAOYSA-N	274.324	1.614	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@H]1CCN1C	919080998	HJTNSMHMBUKVDR-HNNXBMFYSA-N	290.411	1.564	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN[C@H]1CC(=O)N(C2CC2)C1	840937821	YFICHHJUURGNGJ-AWEZNQCLSA-N	287.407	1.914	10	20	CDCD	
C[C@]1(C(=O)NCc2ccc(O)cc2O)CC1(F)F	910945770	YJATVBARRDNNMB-LLVKDONJSA-N	257.236	1.759	10	20	CDCD	
COc1cccc([C@@H](C)N[C@@H](CO)CCF)c1O	846209683	SCWTYNNNEKLWMK-NXEZZACHSA-N	257.305	1.772	10	20	CDCD	
COc1cccc([C@H](C)NCc2cnnn2C)c1O	846169925	HADXFGIZBKNHDZ-VIFPVBQESA-N	262.313	1.380	10	20	CDCD	
O=C(NCc1c(O)ccc2c1CCCC2)N[C@@H]1CCNC1	841939040	KRKGVSKJXXSBHZ-GFCCVEGCSA-N	289.379	1.432	10	20	CDCD	
CCCC[C@H](CN)NCc1ccc([N+](=O)[O-])c(OC)c1O	841029977	IGZADMWCFGKDOV-LLVKDONJSA-N	297.355	1.916	10	20	CDCD	
CCOc1cccc(CN2CC(S(C)(=O)=O)C2)c1O	841887231	JEVAJLQJKLKALQ-UHFFFAOYSA-N	285.365	1.020	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)C1=COCC1	742951942	BSFAZQRBJBFNJI-UHFFFAOYSA-N	274.320	1.782	10	20	CDCD	
COc1cccc([C@H](C)NCC[C@]2(O)CCCOC2)c1O	846212959	ORZZITQUSHCFJE-BLLLJJGKSA-N	295.379	1.983	10	20	CDCD	
CC1C[C@@H]2CC[C@H](C1)N2C(=O)C(=O)Nc1ccc(N)cc1	850858880	IDVKBPXGLVYOFB-FTNCPSPGSA-N	287.363	1.997	10	20	CDCD	
CCOC(=O)C1(C(=O)NCc2ccccc2O)CCC1	752129621	NUXKRMYQVUZSHD-UHFFFAOYSA-N	277.320	1.742	10	20	CDCD	
OC[C@H](CNCc1cc2c(cc1O)OCO2)CC1CC1	850389472	XSYKCPRLSAEMRC-NSHDSACASA-N	279.336	1.619	10	20	CDCD	
CC(=O)NC1CCN(C(=O)c2ccc(C)c(O)c2O)CC1	751536299	YFDRTVRNBBCGEX-UHFFFAOYSA-N	292.335	1.147	10	20	CDCD	
CN(Cc1cc2c(cc1O)OC[C@@H]2O)C[C@@H]1CCCOC1	768453587	ZCLPKCMGFKVOBJ-NHYWBVRUSA-N	293.363	1.676	10	20	CDCD	
COc1ccc(N(C)Cc2cn(C)nc2C(=O)O)cc1	864787414	OXKCKNNDOHIFRR-UHFFFAOYSA-N	275.308	1.763	10	20	CDCD	
COc1cccc(O)c1CN1CCCC2(C1)OCCO2	761216498	ZGRLDMMVTADCCR-UHFFFAOYSA-N	279.336	1.740	10	20	CDCD	
OCC[C@@H](NCc1cc(F)ccc1O)C1CCOCC1	764678241	LJFXBEMGQZRIHQ-CQSZACIVSA-N	283.343	1.799	10	20	CDCD	
CCc1cccc(CNCCNC(=O)C(C)C)c1O	691434646	BXIFFBRPEONFPZ-UHFFFAOYSA-N	264.369	1.816	10	20	CDCD	
CNC(=O)[C@H]1CCCN(Cc2c(C)cccc2O)C1	876727708	AATHYUVCYPUOCC-LBPRGKRZSA-N	262.353	1.659	10	20	CDCD	
C[C@@H](NC(=O)[C@@H]1CCC(=O)N1)c1ccc(N(C)C)cc1	772998198	ISIINRNJBBOLHW-MFKMUULPSA-N	275.352	1.208	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCC=CO1	773755385	AEGMHHKATDIXQT-YGRLFVJLSA-N	277.320	1.838	10	20	CDCD	
C[C@@H](CNCc1cc(Cl)cc(F)c1O)S(C)(=O)=O	776252110	HSFJUONSEOVDNB-ZETCQYMHSA-N	295.763	1.707	10	20	CDCD	
Cc1ccc(CN2CC[C@H](CN3CCOCC3)C2)c(O)c1	876767122	BLUWTEKKJZWNAA-OAHLLOKOSA-N	290.407	1.855	10	20	CDCD	
Cc1cccc(O)c1CN1CC(=O)N[C@H]2CCCC[C@@H]21	876653375	YTJCLVXLIQZASL-KBPBESRZSA-N	274.364	1.944	10	20	CDCD	
CCOc1ccc(CN2CCn3ncnc3C2)c(O)c1	770664592	SYIOZFNYZMYHRL-UHFFFAOYSA-N	274.324	1.398	10	20	CDCD	
C[C@H](NC(=O)[C@@H]1CCN(C)C1)c1ccc(N(C)C)cc1	773010380	UJITUGAKAPEPEI-GXTWGEPZSA-N	275.396	1.882	10	20	CDCD	
COc1ccc(CNCCNC(=O)c2ccc[nH]2)cc1C	1123453282	MKGZQAWIHCHIRB-UHFFFAOYSA-N	287.363	1.851	10	20	CDCD	
CC[C@]1(O)CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1	779335694	KAJOIJIEBOMTPO-DRDHIDPGSA-N	277.320	1.484	10	20	CDCD	
CCS(=O)(=O)CCN[C@@H](C)c1c(O)cccc1F	886522524	LGEBLHHPIYOASO-VIFPVBQESA-N	275.345	1.617	10	20	CDCD	
CCCN(C(=O)c1cc(O)cs1)[C@H](C)C(=O)OC	888610664	KWVXNMGFVHVLGO-MRVPVSSYSA-N	271.338	1.867	10	20	CDCD	
COC(=O)[C@H]1CCN(C(=O)c2cc(O)cs2)[C@H]1C	788008845	QVICTUHKTYQJET-CBAPKCEASA-N	269.322	1.477	10	20	CDCD	
COc1ccc(CNC(=O)CN2CCSC2=O)c(O)c1	794383315	LDBKHHLEUKSSCS-UHFFFAOYSA-N	296.348	1.186	10	20	CDCD	
COCCCN(CCOC)Cc1cc(OC)ccc1O	133093987	YRWIQJWLXRTIBH-UHFFFAOYSA-N	283.368	1.886	10	20	CDCD	
C[C@H](N)CN(C)Cc1cc(Br)ccc1O	389604250	XAKRLHCFBKCNEX-QMMMGPOBSA-N	273.174	1.934	10	20	CDCD	
O=C(CC1OCCCO1)Nc1c(Cl)ccc2nonc12	1329518181	KUANMSXMDRDAAS-UHFFFAOYSA-N	297.698	1.968	10	20	CDCD	
COC(=O)c1cnc(SCCOC(=O)N(C)C)s1	1330598545	MYJITKOWWLLOCZ-UHFFFAOYSA-N	290.366	1.720	10	20	CDCD	
CCOC(=O)[C@@H](NCc1ccc(N)cc1)C1CCOCC1	1334754682	RDPBTOYOCDRDDU-HNNXBMFYSA-N	292.379	1.717	10	20	CDCD	
CCn1ncc(C(=O)NCc2ccc(N)cc2)c1C	1343474311	VECCPFSYVQPUKO-UHFFFAOYSA-N	258.325	1.724	10	20	CDCD	
CC[C@H](N)CNCc1ccc(N2CCN(C)CC2)c(F)c1	1345103930	JIHNMXAUCPVEIT-AWEZNQCLSA-N	294.418	1.404	10	20	CDCD	
CCn1c(-c2sccc2O)nnc1N1CC[C@@H](OC)C1	1340779767	PHYBYDQSAFWFCY-SECBINFHSA-N	294.380	1.957	10	20	CDCD	
C[C@H](NC(=O)NCc1ccc(N)cc1)[C@H]1CCOC1	1357240696	CWXPIESQYKZFGV-JQWIXIFHSA-N	263.341	1.493	10	20	CDCD	
CN(C)CC(C)(C)NC(=O)NCc1ccc(N)cc1	1357792023	RRXKRLLYAVYOLQ-UHFFFAOYSA-N	264.373	1.408	10	20	CDCD	
O=C(O)[C@H]1C[C@@H](O)CN(Cc2cc(Cl)ccc2O)C1	1601770479	XDSQBUVOSSYXNU-GXSJLCMTSA-N	285.727	1.313	10	20	CDCD	
COc1cc(C)cc(CN2CCO[C@H](CC(=O)O)C2)c1O	1607149346	JIXUHEGXOLFNBB-GFCCVEGCSA-N	295.335	1.385	10	20	CDCD	
CCN(C)CCCNC(=O)c1ccc(N=NC(N)=O)cc1	1752138823	YNYFMXKUSMRGCU-UHFFFAOYSA-N	291.355	1.921	10	20	CDCD	
O=C(O)c1ccnc(NC(=O)c2c(F)ccc(O)c2O)c1	1595263130	JXTCXIASTAGSKY-UHFFFAOYSA-N	292.222	1.582	10	20	CDCD	
CN(CCNC(C)(C)C)c1ccc(OCC(=O)O)cc1	1598496129	XHDJPPNIWIZELP-UHFFFAOYSA-N	280.368	1.974	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)Nc1n[nH]cc1C(=O)O	1594675258	RXBPZLYOUAGVFS-RQOWECAXSA-N	289.247	1.171	10	20	CDCD	
O=C(O)[C@H](Cc1cccnc1)NCc1ccc2c(c1)CCO2	1777587158	BXMUICPULCAYQV-HNNXBMFYSA-N	298.342	1.802	10	20	CDCD	
Nc1ccc(NC(=O)COC[C@H]2CCCO2)cc1	19272393	JFZDWFZSCMLXBW-GFCCVEGCSA-N	250.298	1.403	10	20	CDCD	
Nc1ccc(CN2CCO[C@H]([C@H]3CCCO3)C2)cc1	1120371069	OOUNCYJAQLNKGS-CABCVRRESA-N	262.353	1.649	10	20	CDCD	
Cn1ccc(CCNCc2ccc3c(c2)CCO3)n1	230882728	PQLLSBUROJWEDY-UHFFFAOYSA-N	257.337	1.687	10	20	CDCD	
Oc1cc2c(cc1CNC[C@@H]1CCCC[C@H]1O)OCO2	85979132	FHOCKKQRHRUWJZ-CMPLNLGQSA-N	279.336	1.762	10	20	CDCD	
CC(=O)N1CCC[C@@H](C(=O)NCc2ccc(N)cc2)C1	700910112	JKAKSNVNFOPJQD-CYBMUJFWSA-N	275.352	1.144	10	20	CDCD	
Cc1ccc(O)c(CN2CCC[C@H]2C(=O)N(C)C)c1	122738645	AQOJXHLOMJCHSX-ZDUSSCGKSA-N	262.353	1.753	10	20	CDCD	
O=C(CCc1cscn1)NCCc1ccc(O)c(O)c1	178423182	OTLBXWANGZYVFT-UHFFFAOYSA-N	292.360	1.846	10	20	CDCD	
C[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)CCO1	179863160	WEXXYABQIHURMB-CQSZACIVSA-N	276.380	1.744	10	20	CDCD	
CO[C@H](C)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	117974789	AEOPNGJUVHHIQP-OCCSQVGLSA-N	293.363	1.935	10	20	CDCD	
COc1ccc(O)c(CNC(=O)NCC(C)C)c1	114581190	CUIIVBSEGGYBRY-UHFFFAOYSA-N	252.314	1.856	10	20	CDCD	
CC1(C)[C@@H](O)C[C@@H]1NCc1ccc(N2CCOCC2)cc1	129426667	KPDXKJKVNJPITP-HOTGVXAUSA-N	290.407	1.772	10	20	CDCD	
CC[C@H](NC1CN(C(=O)OC)C1)c1ccccc1O	186290436	IGCPNXXGIGZERP-LBPRGKRZSA-N	264.325	1.884	10	20	CDCD	
Nc1nccnc1C(=O)NCc1c(O)ccc2c1CCCC2	75159914	NNPQJQLVQPSXRD-UHFFFAOYSA-N	298.346	1.573	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)c1ccc2nccn2c1	182536409	HQBFBMOSIPMXED-UHFFFAOYSA-N	283.287	1.676	10	20	CDCD	
CC[C@H]1C(=O)NCCN1Cc1c(O)cccc1Cl	131231151	DHZGWEKCIPFCFL-NSHDSACASA-N	268.744	1.756	10	20	CDCD	
CN(C)C/C=C/C(=O)N(C)Cc1ccc(N(C)C)cc1	264606820	GRQFGESXJJUBPG-VOTSOKGWSA-N	275.396	1.829	10	20	CDCD	
CC[C@@H](O)CCNC(=O)NCc1ccc(N(C)C)cc1	268591501	FYPAYJHDPXUNHK-CQSZACIVSA-N	279.384	1.713	10	20	CDCD	
Cc1ccc([C@H](C)N[C@@H](CO)c2cnn(C)c2)c(O)c1	273490426	OCMBNWPAKVOWNH-FZMZJTMJSA-N	275.352	1.818	10	20	CDCD	
Cc1ccc(O)c(CN2CCC[C@@H](CS(N)(=O)=O)C2)c1	271171186	IVFVUWDOIPTWAF-GFCCVEGCSA-N	298.408	1.201	10	20	CDCD	
COC(=O)[C@]1(C)CCN(C(=O)c2cccc(O)c2O)C1	279074261	DHSOJXCHKNDOPE-CQSZACIVSA-N	279.292	1.123	10	20	CDCD	
Cc1cccc(CN(C)[C@@H](C)CN2CCOCC2)c1O	279347651	FVMCMYABCLAEEB-AWEZNQCLSA-N	278.396	1.853	10	20	CDCD	
CN(C)c1ccc(CN2CCC(S(N)(=O)=O)CC2)cc1	377030432	OSRKGUOMSNGOBM-UHFFFAOYSA-N	297.424	1.006	10	20	CDCD	
CCOc1ccc(O)c(CN[C@H](C)C(=O)NCCF)c1	282652769	LIPXEXVWPSCBQE-SNVBAGLBSA-N	284.331	1.355	10	20	CDCD	
O=C(NCCF)NCc1ccc(N2CC=CC2)cc1	280897311	FUQOEFFWBQGXTQ-UHFFFAOYSA-N	263.316	1.832	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@H](N)C2CCOCC2)cc1	282616319	LRRFDPMTLXQGOJ-HNNXBMFYSA-N	291.395	1.123	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNC[C@H](O)C2CC2)c1O	289455282	NQUXYYWMOJMROS-NSHDSACASA-N	282.296	1.170	10	20	CDCD	
CC(C)[C@@H](CO)CNC(=O)/C=C/c1ccc(O)c(O)c1	805308990	COIWTHSLKKAFII-FVOPLDGLSA-N	279.336	1.492	10	20	CDCD	
CC(C)[C@@H](O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	803122029	WCMIVMXMOOODMJ-BXUZGUMPSA-N	264.369	1.947	10	20	CDCD	
Cc1ccc(O)c([C@@H](C)NC[C@H]2CC[C@@H](CO)O2)c1	293798710	UWDLNSQQMQNXFJ-UPJWGTAASA-N	265.353	1.891	10	20	CDCD	
CO[C@@H](C)[C@H](C)N1C(=O)CN(Cc2ccccc2O)C1=O	819168752	CLJOVRWEXQAPQW-QWRGUYRKSA-N	292.335	1.580	10	20	CDCD	
COc1cccc(O)c1CN1C[C@@H](C)C[C@@H](O)C1	825311654	MBDUISXXMRTICQ-WDEREUQCSA-N	251.326	1.604	10	20	CDCD	
CC(=O)N[C@H](C(=O)NCc1ccccc1O)C(C)(C)C	825659012	SVQIGASYBJJVDM-CYBMUJFWSA-N	278.352	1.559	10	20	CDCD	
CN(C)c1ccc(CNC(=O)/C=C/[C@H]2CCOC2)cc1	822227152	XIKDOZCEKBFPCE-GPAKFWEMSA-N	274.364	1.962	10	20	CDCD	
COc1ccc2c(c1)CCCN2CCn1cncn1	727119294	XONVUGZBVKRYSH-UHFFFAOYSA-N	258.325	1.740	10	20	CDCD	
COc1ccc(N2CCC(NC(=O)[C@@H](C)CN)CC2)cc1	828352725	CSELJIQOJGHMTL-LBPRGKRZSA-N	291.395	1.375	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](OC)C(=O)O	901604801	BLSSLGXGXGSNGF-ZDUSSCGKSA-N	294.351	1.201	10	20	CDCD	
Cc1nc[nH]c1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	821807516	USLBYPBLFKFBNL-MRVPVSSYSA-N	275.308	1.490	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)NCc1cocn1	730913442	WVLKIDXWAPECGN-UHFFFAOYSA-N	261.281	1.722	10	20	CDCD	
CN(C)c1ccc(CNC(=O)O[C@H]2CNOC2)cc1F	915373324	ZCVPCHHSGMPJFP-JTQLQIEISA-N	283.303	1.021	10	20	CDCD	
COC(=O)[C@H]1C[C@@H](O)CN(Cc2cc(C)ccc2O)C1	843434045	GYWKOMBIHCKWRI-QWHCGFSZSA-N	279.336	1.056	10	20	CDCD	
COC[C@@H](NC(=O)NCc1ccccc1O)C(C)C	743637444	KUKJPTCPPFBZGS-GFCCVEGCSA-N	266.341	1.862	10	20	CDCD	
C[C@H](CN)CNC(=O)NCCCSc1nccs1	841858133	TYGRYHSEAVOWQT-SECBINFHSA-N	288.442	1.519	10	20	CDCD	
N=C(NCc1ccc(N2CCOCC2)cc1)NC1CCC1	848991139	GWUMYYLRNNMKNA-UHFFFAOYSA-N	288.395	1.690	10	20	CDCD	
Oc1ccc(CCNC(=S)NCC2CC2)cc1O	849250790	DMNDHKDQDHOHDN-UHFFFAOYSA-N	266.366	1.514	10	20	CDCD	
C[C@H](O)[C@@H](O)CN(Cc1ccccc1O)C[C@H]1CCCO1	929973202	YBWUEGKAIHMRKU-BJJXKVORSA-N	295.379	1.115	10	20	CDCD	
COc1ccc(N(C)CCN(C)C(=O)[C@H]2CCCO2)cc1	844851877	JUUIMAKEWNWYHI-OAHLLOKOSA-N	292.379	1.769	10	20	CDCD	
COC(=O)C[C@H](C)C(=O)N[C@H](C)c1cc(OC)ccc1O	759086253	RISMBINOXSZQBF-VHSXEESVSA-N	295.335	1.777	10	20	CDCD	
C[C@H](CNCc1c(O)cccc1Cl)S(C)(=O)=O	697641010	ILXDTWLITSMISL-MRVPVSSYSA-N	277.773	1.568	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H]1CCCC(=O)N1	935945939	QKFYKEPRVMNQJF-SNVBAGLBSA-N	297.351	1.163	10	20	CDCD	
COc1ccc(O)c(CNC(=O)/C=C\C2CCOCC2)c1	769541074	MRLAXZKSFUDIDY-DJWKRKHSSA-N	291.347	2.000	10	20	CDCD	
CCN1C(=O)/C(=C/c2cnn(C)n2)SC1=S	864086979	NHDIQHGSCWXGGD-DAXSKMNVSA-N	254.340	1.036	10	20	CDCD	
CC(=O)N[C@@H](C(=O)NCc1cc(C)ccc1O)C(C)C	862754064	QBDLNCLTOXQSGL-CQSZACIVSA-N	278.352	1.478	10	20	CDCD	
OCCN(Cc1ccc(N2CCC(O)CC2)cc1)C1CC1	876579834	MVAHVKUNRVPGTA-UHFFFAOYSA-N	290.407	1.604	10	20	CDCD	
C[C@@H](NCc1ccn(C)c(=O)c1)c1ccccc1O	879649997	XAPQCKJWJDRCGA-LLVKDONJSA-N	258.321	1.942	10	20	CDCD	
COCC[C@@](C)(O)CNC(=O)/C=C/c1ccc(O)c(O)c1	779525352	KNTYIFVHBUDVKC-CSPWOOARSA-N	295.335	1.015	10	20	CDCD	
Cc1ccc(CN2CCN(C[C@@H]3CCCO3)CC2)c(O)c1	876541955	NJJFGPFXMSPFFP-INIZCTEOSA-N	290.407	1.997	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CC(n2ccnc2)C1	779519436	DPKKBZWYGYVHFZ-DUXPYHPUSA-N	285.303	1.391	10	20	CDCD	
Cc1cccc(O)c1CN1C[C@H](C)S(=O)(=O)[C@H](C)C1	877541171	CUHBPQFKERBXAS-TXEJJXNPSA-N	283.393	1.708	10	20	CDCD	
C[C@H]1COCCN1Cc1ccc(N2CCN(C)CC2)cc1	775655254	XBFVYRQPKBBPSG-HNNXBMFYSA-N	289.423	1.659	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CN2CC[C@@H](CF)C2)cc1	880295644	WHNRSEKFFXCUFT-AWEZNQCLSA-N	293.386	1.660	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2cn(C)nc2OC)c1	883965180	VIFZAKYHZIWFPT-UHFFFAOYSA-N	291.307	1.073	10	20	CDCD	
COCCOC(=O)NCc1ccc(N2CCOCC2)cc1	884971670	FTMNZIPSBNTAKW-UHFFFAOYSA-N	294.351	1.396	10	20	CDCD	
CCOc1cccc(CN2C[C@@H]3C[C@@]3(CO)C2)c1O	783734273	KWVWVKHZBHNFTR-WFASDCNBSA-N	263.337	1.605	10	20	CDCD	
COc1ccc(CN2CCN(C(C)C)CC2)c(O)c1OC	891572925	IGBODSGCODOYES-UHFFFAOYSA-N	294.395	1.935	10	20	CDCD	
COc1ccc(CN[C@H]2CCCN(C)C2=O)c(O)c1OC	893100758	WDTNGVZUYXXKMD-NSHDSACASA-N	294.351	1.120	10	20	CDCD	
Oc1c(F)cc(F)cc1CN[C@@H]1CCn2ccnc2C1	883093209	NMDOOBXPJUSHLJ-LLVKDONJSA-N	279.290	1.972	10	20	CDCD	
CC1(C)CNC(=O)[C@H]1NCc1cc(Cl)ccc1O	895319482	YAPHHZORXHPTDH-LLVKDONJSA-N	268.744	1.660	10	20	CDCD	
CCOCCOC[C@H](O)CNCc1cc(C)ccc1O	791006217	DQXHCANNVQGKTK-CQSZACIVSA-N	283.368	1.204	10	20	CDCD	
COc1ccc(O)c(CN2CCn3cnnc3[C@H]2C)c1	792190415	VSBLTQJFEOVRNK-SNVBAGLBSA-N	274.324	1.569	10	20	CDCD	
CCOc1cccc(CN[C@H](C)C[S@](C)=O)c1O	168182022	FVYSBMCRWXJYIB-MLCYQJTMSA-N	271.382	1.648	10	20	CDCD	
C[C@@](O)(CNC(=O)c1cccc(O)c1O)C(F)(F)F	280005137	VRVYSOLWMXBMRO-SNVBAGLBSA-N	279.214	1.141	10	20	CDCD	
Cc1cccc(CNCCS(=O)(=O)N2CCCC2)c1O	721874688	SIYMPSWLNMJEPH-UHFFFAOYSA-N	298.408	1.216	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NCCCCN)cc1F	1326115913	MRXSLBUYFZVCHE-UHFFFAOYSA-N	282.363	1.430	10	20	CDCD	
COC[C@@H](C)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	1335133219	FLWUIGOVFKFZSF-CZUORRHYSA-N	279.428	1.980	10	20	CDCD	
CO[C@@H](CNCc1cc(Cl)cc(Cl)c1O)C(=O)O	1331996328	RHGWYKZKAAEROX-VIFPVBQESA-N	294.134	1.888	10	20	CDCD	
CCN(CC)C(=O)CN[C@@H](C)c1cc(OC)ccc1O	135728610	JPMRXPOWCIBBHP-NSHDSACASA-N	280.368	1.920	10	20	CDCD	
CN(Cc1ccon1)c1nnc(-c2sccc2O)n1C	1339456878	MHZJMUPTQCBSIW-UHFFFAOYSA-N	291.336	1.874	10	20	CDCD	
C[C@@H]1CC[C@@H](NC(=O)C(=O)NCCc2ccc(N)cc2)C1	1349804451	ZDSRAZDZVDSDKN-BXUZGUMPSA-N	289.379	1.232	10	20	CDCD	
CC(C)n1cnc(C(=O)NCc2ccc(N)cc2)c1	1343566650	JFYXKBZHFFJCES-UHFFFAOYSA-N	258.325	1.976	10	20	CDCD	
O=C(O)[C@@H]1[C@H]2CN(Cc3cc(Cl)c(F)cc3O)C[C@H]21	1602204715	OQAOWYOZLRQYFK-JDICNCQASA-N	285.702	1.947	10	20	CDCD	
O=C(O)[C@@H](CC1CCOCC1)NCc1cc(F)ccc1O	1601643372	OERVARIFYUYZIN-CYBMUJFWSA-N	297.326	1.891	10	20	CDCD	
Cc1cc(NS(=O)(=O)CCC(=O)O)c(C)c(C)c1O	1600281998	WJXWFBYOXUVWGM-UHFFFAOYSA-N	287.337	1.534	10	20	CDCD	
C[C@]1(NC(=O)c2ccc(N=NC(N)=O)cc2)CCNC1	1576541766	PMBWQSZPBOFIPB-ZDUSSCGKSA-N	275.312	1.331	10	20	CDCD	
CC(C)C[C@@]1(C(=O)Oc2ccc(N)cc2)CCNC1=O	1575548910	DMVULHCQNAAYGW-HNNXBMFYSA-N	276.336	1.727	10	20	CDCD	
CN(C)c1ccc([C@@H](N)CNCc2ccc(O)nc2)cc1	1578424746	UOTSBDGUIKRJLO-HNNXBMFYSA-N	286.379	1.643	10	20	CDCD	
O=C(O)CCC(=O)NCc1ccc2cccnc2c1O	1594995546	DZBKNXXPJYUSSK-UHFFFAOYSA-N	274.276	1.421	10	20	CDCD	
CN(C)c1ccc(CNc2ccc(-c3nn[nH]n3)cn2)cc1	1591032696	WBYDVYUXEYBVGU-UHFFFAOYSA-N	295.350	1.940	10	20	CDCD	
CC1([C@@H](NCc2cc([N+](=O)[O-])ccc2O)C(=O)O)CC1	1776514190	IZKBHXADWXXVTP-NSHDSACASA-N	280.280	1.643	10	20	CDCD	
CNC[C@H]1CCCN(Cc2c(O)cccc2OC)C1	843044581	KFKWFMBMHIUXHU-GFCCVEGCSA-N	264.369	1.832	10	20	CDCD	
CCCNC(=O)CN1CCCc2cc(CN)ccc21	62801575	MISPTSPABZCAQL-UHFFFAOYSA-N	261.369	1.424	10	20	CDCD	
CCN1C[C@@H](NCc2cc(F)ccc2O)CC1=O	391601852	JZIDJKZCSZKRHZ-NSHDSACASA-N	252.289	1.242	10	20	CDCD	
CN(CC(=O)NC1CCOCC1)Cc1ccccc1O	111235754	UNPVFUQBQJOSNC-UHFFFAOYSA-N	278.352	1.119	10	20	CDCD	
CCN(C)c1ccc([C@@H](C)NC[C@@H](O)CN(C)C)cc1	305115043	HOWWSFCEDZKQQC-CZUORRHYSA-N	279.428	1.716	10	20	CDCD	
O=S1(=O)CC[C@H](NCc2cccc(Cl)c2O)C1	124500565	BGCWGJWSGKQVSW-VIFPVBQESA-N	275.757	1.322	10	20	CDCD	
Cn1ccc(NC(=O)/C=C/c2ccc(O)c(O)c2)n1	180610202	XTULSRYAQVMDIK-HWKANZROSA-N	259.265	1.483	10	20	CDCD	
COc1cc(N(C)C[C@H](C)C(=O)O)c([N+](=O)[O-])cc1OC	213806130	IWEPMMSAKKCKEG-QMMMGPOBSA-N	298.295	1.769	10	20	CDCD	
COCc1nc(C(=O)NCCc2ccc(N)cc2)cs1	152584535	CVHKPSAABHIOQJ-UHFFFAOYSA-N	291.376	1.844	10	20	CDCD	
C[C@@H]1OCCN(C(=O)/C=C/c2ccc(O)c(O)c2)[C@@H]1C	181214156	HKLHXNTZQLGTJF-MRUFAENASA-N	277.320	1.747	10	20	CDCD	
Cc1ccc([C@@H](C)N[C@H](C)CN2CCN(C)CC2)c(O)c1	185392754	XWEAXLYSKRWABD-HUUCEWRRSA-N	291.439	1.987	10	20	CDCD	
CCOC(=O)[C@@H](C)CNC(=O)Cc1ccc(N)cc1	236943689	MFXFHFLBZBPCIR-JTQLQIEISA-N	264.325	1.127	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NCC(=O)OCC1CC1	272415918	JLYPKOOJMZFCPD-GQCTYLIASA-N	291.303	1.180	10	20	CDCD	
C[C@H](NCc1ccc(N(C)C)c(F)c1)c1ncn(C)n1	275386882	AMFBCXQBVLMTOZ-JTQLQIEISA-N	277.347	1.871	10	20	CDCD	
Cc1noc(NC(=O)NCc2ccc(N(C)C)cc2)n1	272359641	PVEZYQCSLFTKTR-UHFFFAOYSA-N	275.312	1.766	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@]23CCC[C@@H]2CNC3)cc1	280800735	KTDLRPUWBYSDFY-RHSMWYFYSA-N	287.407	1.759	10	20	CDCD	
CCS(=O)(=O)N1CCN(Cc2ccccc2O)[C@H](C)C1	809725062	IRONNDRPFBHAFX-GFCCVEGCSA-N	298.408	1.248	10	20	CDCD	
CC(=O)C(=O)COC(=O)COc1cc(C)ccc1Cl	808483802	ADQCWHXCJGEUGQ-UHFFFAOYSA-N	284.695	1.729	10	20	CDCD	
C[C@@H](N[C@H]1CCCNC1)c1cc([N+](=O)[O-])ccc1O	817940107	FAVFDHZNFGVJTQ-ZJUUUORDSA-N	265.313	1.703	10	20	CDCD	
CCCN1C[C@H](CNCc2ccc3c(c2)CCO3)CC1=O	817411054	LXLFTERJVIGNLF-AWEZNQCLSA-N	288.391	1.970	10	20	CDCD	
C[C@@H](CN)N[C@H](C)c1ccc(N2CCOCC2)c(F)c1	817970027	JOQBGXUHCWVDMT-NWDGAFQWSA-N	281.375	1.660	10	20	CDCD	
CCN(C)c1ccc(CN2CC(=O)N(C3CC3)C2)cc1	815103696	RXHKSCGLYYYUKC-UHFFFAOYSA-N	273.380	1.907	10	20	CDCD	
CN(CC(=O)O)Cc1cccc(Br)c1O	820568700	AJMRWFMFSSLKCW-UHFFFAOYSA-N	274.114	1.671	10	20	CDCD	
COC(=O)NCCCC(=O)N[C@H](C)c1ccccc1O	827937109	KXFTUTBJRVIAML-SNVBAGLBSA-N	280.324	1.706	10	20	CDCD	
O=C(NCc1ccc(N2CCC(O)CC2)cc1)N1CCC1	823554824	ZMJNJRJYFNALAG-UHFFFAOYSA-N	289.379	1.563	10	20	CDCD	
CCCCN(C)CCNC(=O)c1cc(O)cs1	732835460	QRPOICDZFXOANI-UHFFFAOYSA-N	256.371	1.915	10	20	CDCD	
Nc1ccc(CCNC(=O)CC[C@@H]2CCNC2)cc1	832659133	NUKXYZLIIATNQB-CYBMUJFWSA-N	261.369	1.317	10	20	CDCD	
COCCNC(=S)NCc1cc(OC)ccc1O	733907021	RGIJTULJTRZASB-UHFFFAOYSA-N	270.354	1.011	10	20	CDCD	
C[C@H](N)C[C@H](C)NC(=O)NCc1ccc(N(C)C)c(F)c1	831117410	VXRQKRQREJXROY-QWRGUYRKSA-N	296.390	1.817	10	20	CDCD	
COc1ccc(N(C)CCN(C)C(=O)[C@@H]2CCCN2)cc1	846697818	WSXMEVVZBUQABX-HNNXBMFYSA-N	291.395	1.342	10	20	CDCD	
COc1cccc([C@@H](C)N[C@@H](C)CC(N)=O)c1O	846143919	AVKOVUZQBIUHTI-DTWKUNHWSA-N	252.314	1.315	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)C1SCCCS1	910944425	MHJYIRNZNCMUJF-UHFFFAOYSA-N	285.390	1.910	10	20	CDCD	
CCOCCNC(=O)CN(C)c1ccc(OC)cc1	844352825	JTABTEWUUPKLPQ-UHFFFAOYSA-N	266.341	1.284	10	20	CDCD	
CCCN[C@H](C)C(=O)NC[C@H](N)c1ccc(N(C)C)cc1	841845968	INBQSUYJPAQUNT-DOMZBBRYSA-N	292.427	1.257	10	20	CDCD	
Nc1ccc(CCNC(=O)N[C@@H]2CCC[C@@H]2CO)cc1	841955869	QCHUTLPXGLYGAM-TZMCWYRMSA-N	277.368	1.272	10	20	CDCD	
CCOc1ccc(O)c(CN2CCC[C@H](CN)C2)c1	843047519	RWLGAXCSJYXOKP-GFCCVEGCSA-N	264.369	1.962	10	20	CDCD	
O=C1CC[C@H]2CN(C(=O)c3cc(O)cs3)CC[C@H]2N1	855674289	ATEYUKWSUHLKDZ-WCBMZHEXSA-N	280.349	1.194	10	20	CDCD	
CC[C@@H](N[C@H](C)C(=O)N(C)OC)c1ccccc1O	858588347	ZCDRWAXVIUNTAT-ZYHUDNBSSA-N	266.341	1.841	10	20	CDCD	
Cc1nnc(CN(C)C(=O)c2ccc(C)c(O)c2O)o1	855569660	NJGZIIBGWPCLDR-UHFFFAOYSA-N	277.280	1.370	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CN2CC[C@@H]3C[C@H]3C2)cc1	852634583	IDTAUOPMFHHOOZ-CABCVRRESA-N	287.407	1.711	10	20	CDCD	
O=C(OCC(=O)[C@@H]1CCCOC1)c1cccc(O)c1O	758546340	FQLARDBQAKSVAD-SECBINFHSA-N	280.276	1.250	10	20	CDCD	
COc1ccc(CNC[C@@]2(C(=O)O)CCCOC2)cc1C	864524368	FHXOPLPPARSRQX-INIZCTEOSA-N	293.363	1.975	10	20	CDCD	
O=S(=O)(CCC1CCC1)NCc1ccc(O)cc1O	867417104	MPBRYHISXQGCJE-UHFFFAOYSA-N	285.365	1.707	10	20	CDCD	
C[C@@H](N)CN(C)C(=O)NCc1ccc2c(c1)CCCN2C	861567317	CSAZZAQUCKYKIZ-GFCCVEGCSA-N	290.411	1.558	10	20	CDCD	
CCNC(=O)CCC(=O)NCc1cc(C)ccc1O	862759322	BPKTXYOWIFBRRA-UHFFFAOYSA-N	264.325	1.233	10	20	CDCD	
Cc1ccc(CNC[C@](C)(O)C(=O)OC(C)(C)C)c(O)c1	877368393	HUXQQDRXSXVSSJ-INIZCTEOSA-N	295.379	1.883	10	20	CDCD	
COc1ccc(CNC2(C)COC2)cc1Cn1cccn1	877691898	XASKBGFTTSVAMG-UHFFFAOYSA-N	287.363	1.819	10	20	CDCD	
CCOc1cccc(CNC2(C(=O)NC)CCCC2)c1O	779176934	UYLBANUECVZIAN-UHFFFAOYSA-N	292.379	1.939	10	20	CDCD	
CCC[C@H](O)[C@H](CO)NCc1cc(F)cc(F)c1O	883145767	MWEWMOQQZQYYOZ-RYUDHWBXSA-N	275.295	1.282	10	20	CDCD	
COc1cccc([C@H](C)N[C@@H](CO)C[C@@H]2CCCO2)c1O	886672354	MVMHAEMWTGFFPQ-XQQFMLRXSA-N	295.379	1.981	10	20	CDCD	
COc1ccc(CN2CC[C@H](C)[C@H](CO)C2)c(O)c1OC	895515600	WPIQZJWFKBEPMB-AAEUAGOBSA-N	295.379	1.860	10	20	CDCD	
COC(=O)[C@@H](CC(F)F)NCc1cccc(OC)c1O	789578437	AKPYRSJISQVDRQ-SECBINFHSA-N	289.278	1.687	10	20	CDCD	
O=C(N=S1(=O)CCOCC1)c1cc(O)cs1	891368561	HWPUYCCZTMMFEM-UHFFFAOYSA-N	261.324	1.092	10	20	CDCD	
COC(=O)c1ccnc(NC(=O)c2cccc(O)c2O)c1	790718241	QDGFFWNQNIFKML-UHFFFAOYSA-N	288.259	1.532	10	20	CDCD	
COC(=O)N1CCCN(Cc2cc(OC)ccc2O)CC1	1203669884	GTGMZQUDDMERCN-UHFFFAOYSA-N	294.351	1.675	10	20	CDCD	
Cc1ccc(O)c([C@@H](C)NC[C@@H]2COCCO2)c1	38060812	XVFDLGQVYUCQPD-VXGBXAGGSA-N	251.326	1.767	10	20	CDCD	
CN1CC[C@@](O)(CNCc2c(O)cccc2Cl)C1	702602537	IKCHQWSZJGTXDM-CYBMUJFWSA-N	270.760	1.202	10	20	CDCD	
CCc1cccc(CN2CC[C@H](NC(C)=O)C2)c1O	692130459	XWENQVUIWAXWJP-AWEZNQCLSA-N	262.353	1.665	10	20	CDCD	
CCN1CCC[C@@H](NCc2cccc(C)c2O)C1=O	722344254	AZALXXLIPHDERP-CYBMUJFWSA-N	262.353	1.801	10	20	CDCD	
COc1ccc(O)c([C@H](C)NCCN2CCC2)c1	697419264	NTTUOFMRNQMXRY-NSHDSACASA-N	250.342	1.757	10	20	CDCD	
Nc1ccc(CNC(=O)N[C@@H]2CCC[C@@H]2CO)cc1	1337070628	UVAOEKVMCUPFKS-DGCLKSJQSA-N	263.341	1.229	10	20	CDCD	
CCOC(=O)[C@@H]1CCN(C(=O)NCc2ccc(N)cc2)C1	1335736485	AYAHHRMIWSDLAN-GFCCVEGCSA-N	291.351	1.363	10	20	CDCD	
COCC(COC)N[C@H](C)c1cc(C(=O)O)ccc1O	1606804467	KHIDUNLUMXWBGR-SECBINFHSA-N	283.324	1.402	10	20	CDCD	
CN(C)c1ccc(CN(C(=O)CON)C2CC2)cc1	1578426141	VMAWGVXTOZFJMU-UHFFFAOYSA-N	263.341	1.134	10	20	CDCD	
COc1ccc(CNCCC(=O)NCCC(=O)O)cc1C	1599571969	VZBVKMXJHLRFNH-UHFFFAOYSA-N	294.351	1.074	10	20	CDCD	
CCN1CCc2cc(CN[C@H](CC(=O)O)C(=O)O)ccc21	1776877620	HUKYYSGTDMKQMW-GFCCVEGCSA-N	292.335	1.087	10	20	CDCD	
NC(=O)[C@@H]1CCCCN1Cc1cc(Cl)ccc1O	162032930	HYMQWKIPRMBLKR-NSHDSACASA-N	268.744	1.885	10	20	CDCD	
COc1cccc(CN2CCCC[C@H]2C(N)=O)c1O	162067563	PQFOMVNKTCTMDU-NSHDSACASA-N	264.325	1.241	10	20	CDCD	
COc1cccc(CN2CCC(CC(N)=O)CC2)c1O	159806227	GZQNWVIWJQFTGR-UHFFFAOYSA-N	278.352	1.488	10	20	CDCD	
CCn1nncc1CNCc1cc(Cl)ccc1O	846055333	LEYDWHPIUMJOKJ-UHFFFAOYSA-N	266.732	1.947	10	20	CDCD	
COc1cccc(O)c1CN1CC(C)(C(=O)O)C1	1599680404	PCESASRSAMSENT-UHFFFAOYSA-N	251.282	1.307	10	20	CDCD	
CN(C)c1ccc(CN2CC[C@@H]3NCC[C@H]3C2)cc1	312074873	JCIRISZGLDBBSY-HOCLYGCPSA-N	259.397	1.936	10	20	CDCD	
CC(C)(CS(C)(=O)=O)NCc1ccccc1O	391437477	QHTAGJQRDZQSOF-UHFFFAOYSA-N	257.355	1.305	10	20	CDCD	
O=C(O)C[C@H]1CN(Cc2ccc(Cl)cc2O)CCO1	1608700140	BQZNYXYRSCADDG-NSHDSACASA-N	285.727	1.721	10	20	CDCD	
Cn1cc(/C=C/C(=O)N2CCOc3cc(F)ccc32)cn1	118278000	HAAGUKFCXPUERC-GORDUTHDSA-N	287.294	1.998	10	20	CDCD	
CCS(=O)(=O)C[C@@H](C)NCc1ccccc1O	113350568	GDLNTAUBHWPOCT-SNVBAGLBSA-N	257.355	1.305	10	20	CDCD	
C[C@@H]1OCC[C@]1(O)CN[C@H]1CCc2cccc(O)c21	311954029	YGLJHKFYIOADAE-WBIUFABUSA-N	263.337	1.509	10	20	CDCD	
Cc1c(C(=O)NCCc2ccc(O)c(O)c2)cnn1C	122353797	FNJDOULCLBTUMS-UHFFFAOYSA-N	275.308	1.112	10	20	CDCD	
CSCC[C@@H](C)NC(=O)c1cccc(O)c1O	126546705	OLEZTDLWJDFGTC-MRVPVSSYSA-N	255.339	1.969	10	20	CDCD	
CNC[C@H]1CCCN1Cc1cccc(OC)c1O	133012319	RGTFPTKHMCGBDW-GFCCVEGCSA-N	250.342	1.585	10	20	CDCD	
COC(=O)CCCN1CCN(c2ccc(OC)cc2)CC1	37286332	NDXAIGZJKGTNFK-UHFFFAOYSA-N	292.379	1.770	10	20	CDCD	
CNC(=O)[C@H](C)CN(C)Cc1cccc(Cl)c1O	180681931	YNOIJUXTDXMGEU-SECBINFHSA-N	270.760	1.860	10	20	CDCD	
O=C(NCCO)NCc1ccc(N2CCCC2)cc1	42874081	WPBAERNFADFGTB-UHFFFAOYSA-N	263.341	1.078	10	20	CDCD	
COc1cccc(CNC[C@@H]2CCCS(=O)(=O)C2)c1O	290097444	JZKKJGHAPHOUBB-NSHDSACASA-N	299.392	1.315	10	20	CDCD	
CCN(CCO)CC(=O)N(C)Cc1ccc(N(C)C)cc1	248111373	KIBLGMXBDMZLFL-UHFFFAOYSA-N	293.411	1.025	10	20	CDCD	
COC(=O)[C@H](CC(F)(F)F)NCc1ccccc1O	276508825	STMZPAIMDCILDK-VIFPVBQESA-N	277.242	1.976	10	20	CDCD	
COc1ccc(O)c(CN2CC[C@H]([C@@H](C)O)C2)c1	272584320	YQWHEKXWSYLHRK-MNOVXSKESA-N	251.326	1.604	10	20	CDCD	
CC(=O)N1CCC[C@@H](CNCc2ccccc2O)C1	279851729	RWDQKTVOARTJFZ-ZDUSSCGKSA-N	262.353	1.740	10	20	CDCD	
CO[C@@H](C)CS(=O)(=O)Nc1cc(Cl)c(O)cc1F	288101739	AUGOGWRBWJYFBO-LURJTMIESA-N	297.735	1.961	10	20	CDCD	
COc1ccc(-n2cnnc2SCC(=O)C(C)=O)cc1	808015620	NKUCKDYFGKXTMI-UHFFFAOYSA-N	291.332	1.526	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)c1cccn1C	806871083	WYMQRFXYGSVWDK-UHFFFAOYSA-N	299.374	1.899	10	20	CDCD	
CO[C@@H]1CCC[C@H]1NCc1cc([N+](=O)[O-])ccc1O	824904388	ZDGSBCCMQMOZKB-DGCLKSJQSA-N	266.297	1.958	10	20	CDCD	
CN1CCCc2cc(CNC(=O)c3cnc(N)cn3)ccc21	827913760	LDIVLTCWWCPTDW-UHFFFAOYSA-N	297.362	1.371	10	20	CDCD	
C[C@@H](NC(=O)[C@H]1CCN(C)C(=O)C1)c1ccccc1O	827923166	KQWXZDKSBDRJRJ-MNOVXSKESA-N	276.336	1.438	10	20	CDCD	
CCOC[C@H](O)CN(C)c1ccc(OC)c(OC)c1	733610199	QNUIYQQGJUJGAS-GFCCVEGCSA-N	269.341	1.537	10	20	CDCD	
CC(=O)C[C@H](C)NC(=O)/C=C\c1ccc(O)c(O)c1	588408577	HLYSXTRQONHJCJ-RNEXMXFGSA-N	263.293	1.595	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H]1CCc2n[nH]cc2C1	588407979	KKOWAWKHQOYCHX-DBGMKRSLSA-N	299.330	1.508	10	20	CDCD	
CCN(CC)c1ccc(CN[C@@H](C(=O)O)[C@@H](C)O)cc1F	904043048	OQZIAHJMXOEXIG-QMTHXVAHSA-N	298.358	1.596	10	20	CDCD	
C[C@]1(C(=O)O)CCN(C(=O)/C=C\c2ccc(O)c(O)c2)C1	833554216	SNADXVJEENDFLP-QTLSWZBMSA-N	291.303	1.434	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CC(C)=NO2)c1	830539862	AOTWBGRRZGQSDR-TVQRCGJNSA-N	278.308	1.743	10	20	CDCD	
COC[C@@H](NCc1ccc(OC)c(C)c1)C(=O)O	901478454	OUVCBEVTTDKLDO-LLVKDONJSA-N	253.298	1.193	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1C[C@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1	836842545	YIQRFHIZHOTALT-NBJSSDPRSA-N	299.326	1.523	10	20	CDCD	
COc1cccc(CNC(=O)C(C)(C)NC(=O)O)c1O	739946803	MILYBVWWBHJVLP-UHFFFAOYSA-N	282.296	1.063	10	20	CDCD	
Cc1cnc(C(=O)NC[C@H](N)c2ccc(N(C)C)cc2)cn1	832292731	KXLKWNXKDCMLHG-AWEZNQCLSA-N	299.378	1.281	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2C[C@@H](CN)C[C@H]2C)c1O	843056949	DCSRJWJQSMDUFD-NXEZZACHSA-N	295.339	1.478	10	20	CDCD	
COC[C@H](C)NC(=O)N(C)Cc1ccc(N(C)C)cc1	840479761	IBDAPIWZJHYYPH-LBPRGKRZSA-N	279.384	1.929	10	20	CDCD	
CC(C)S(=O)(=O)CCCOC(=O)c1cc(O)cs1	758946565	PHJJZISSGDSNPZ-UHFFFAOYSA-N	292.378	1.824	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)COC(F)(F)F	935312431	XPAJBSUPNRYXSX-SSDOTTSWSA-N	293.241	1.681	10	20	CDCD	
COc1ccc(O)c(CNC(=O)C2(F)CCOCC2)c1	866767187	LRLAXKCLYMKNEW-UHFFFAOYSA-N	283.299	1.536	10	20	CDCD	
C[C@H](C(=O)NCc1cc(Cl)ccc1O)[C@@H]1CCC(=O)N1	862130249	DNSUCZAUXJNWJK-KWQFWETISA-N	296.754	1.577	10	20	CDCD	
CNC(=O)[C@@H]1CCC[C@H]1NCc1ccc(N(C)C)cc1	765799989	ZYPKEWBHKGPNFV-HUUCEWRRSA-N	275.396	1.757	10	20	CDCD	
COC(=O)[C@@]1(C)CCN(Cc2c(O)cccc2OC)C1	769528731	YQGSQZYDWSGMEL-HNNXBMFYSA-N	279.336	1.786	10	20	CDCD	
CN(C)c1ccc(CN(C)[C@@]2(CO)CCOC2)cc1F	862426794	OQFLOQPUCHJCKK-OAHLLOKOSA-N	282.359	1.475	10	20	CDCD	
COC(=O)[C@H]1CN(Cc2cc(OC)c(C)cc2O)CCO1	768448190	BOJMGGKUXDRVLL-CQSZACIVSA-N	295.335	1.083	10	20	CDCD	
COC(=O)C[C@@H](C)CC(=O)NCc1cc(C)ccc1O	862755340	FEKOMMMQXMTYSS-NSHDSACASA-N	279.336	1.906	10	20	CDCD	
Cc1cccc(O)c1CN1C[C@H](C)O[C@H](CO)C1	877466429	JNBSPXSYSYZADU-RYUDHWBXSA-N	251.326	1.282	10	20	CDCD	
NC(=O)c1cccc(COC(=O)c2cccc(O)c2O)c1	776282791	YNZLKKDCKXWHBG-UHFFFAOYSA-N	287.271	1.554	10	20	CDCD	
COC(=O)C1(NC(=O)c2ccc(C)c(O)c2O)CCCC1	770486555	LTQFAXIMKRDXHY-UHFFFAOYSA-N	293.319	1.622	10	20	CDCD	
Nc1ccc(CCNC(=O)C(=O)N[C@H]2CC=CCC2)cc1	1117973358	VELIZDKDIUCURX-AWEZNQCLSA-N	287.363	1.152	10	20	CDCD	
C[C@H](CCO)NCc1ccc(N2CCN(C)CC2)cc1	776209410	VOLNOQQNMOHZBJ-CQSZACIVSA-N	277.412	1.299	10	20	CDCD	
CC(C)[C@](C)(O)C(=O)NCc1ccc(O)c(O)c1	771419627	ZFVKVSZDYDKDPJ-ZDUSSCGKSA-N	253.298	1.121	10	20	CDCD	
CN(Cc1cn[nH]c1)C(=O)/C=C/c1ccc(O)c(O)c1	779519913	GHNYQRNQMKFNFH-HWKANZROSA-N	273.292	1.493	10	20	CDCD	
C[C@@H](NCCS(=O)(=O)CC1CC1)c1ccccc1O	783517673	HUKHSRXIGOELJD-LLVKDONJSA-N	283.393	1.868	10	20	CDCD	
COc1ccc(CN2CC[C@H](NC(C)=O)C2)c(O)c1OC	894973802	YVLAAMCUTZHTCD-LBPRGKRZSA-N	294.351	1.120	10	20	CDCD	
COc1ccc(CNc2cnn(C)c2)c(O)c1OC	892871888	ZAYHBSYZTOGADP-UHFFFAOYSA-N	263.297	1.755	10	20	CDCD	
Cc1nn(C)c(NC(=O)c2cccc(O)c2O)c1C	790666264	PSHIXILHPXZNQV-UHFFFAOYSA-N	261.281	1.700	10	20	CDCD	
C[C@@H]1NC(=O)[C@@H](C)N(Cc2cc3c(cc2O)OCO3)[C@H]1C	895114520	MEMICHWLAMKMLG-LPEHRKFASA-N	292.335	1.218	10	20	CDCD	
C[C@H]1CO[C@@H](CO)CN1Cc1c(O)ccc(Cl)c1F	792173054	QDJACLMNPSTQAW-DTWKUNHWSA-N	289.734	1.766	10	20	CDCD	
CCOc1ccc(N2CCN(Cc3cnn[nH]3)CC2)cc1	1203212267	PJHINCQJUNSYKI-UHFFFAOYSA-N	287.367	1.526	10	20	CDCD	
O=C(NC[C@H]1CCC[C@@H](O)C1)c1c(F)ccc(O)c1O	790071296	UWKBGCVMOKIJIC-DTWKUNHWSA-N	283.299	1.518	10	20	CDCD	
C[C@H]1CCN1C(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	1334307737	JANIZCVXVMZRFT-NWDGAFQWSA-N	289.379	1.551	10	20	CDCD	
COc1cccc(O)c1CN1CCN2C(=O)CC[C@@H]2C1	769208076	UNELGEGXLNEDBA-LLVKDONJSA-N	276.336	1.207	10	20	CDCD	
CCc1nn(C)cc1CNCc1cc(OC)ccc1O	92393859	NBVXWPKMIXUWMT-UHFFFAOYSA-N	275.352	1.987	10	20	CDCD	
CC(C)[C@@H](N)CCN(C)C(=O)NCc1ccc(N)cc1	1337070839	XVSXOQNDURETPY-AWEZNQCLSA-N	278.400	1.784	10	20	CDCD	
C[C@H](O)Cc1cn(Cc2ccc(N(C)C)cc2)nn1	1352984297	YCZWECAQWYCYGT-NSHDSACASA-N	260.341	1.316	10	20	CDCD	
C[C@@H](NC(=O)N[C@]1(C)CCOC1=O)c1ccccc1O	1352139538	SPAOWACIEMYKMZ-YMTOWFKASA-N	278.308	1.458	10	20	CDCD	
CN(Cc1ccn(C)n1)C(=O)NCCc1ccc(N)cc1	1357465135	ZIVCTROITZMQKD-UHFFFAOYSA-N	287.367	1.386	10	20	CDCD	
CC[C@](C)(CNC(=O)NCc1ccc(N)cc1)OC	1357436184	YFCLOTVSQQQGGP-CQSZACIVSA-N	265.357	1.883	10	20	CDCD	
C[C@@H](N[C@H]1CCCCNC1=O)c1cc(C(=O)O)ccc1O	1604329857	ULBDNYZAKUAPHM-SKDRFNHKSA-N	292.335	1.410	10	20	CDCD	
CCC(CC)(NC(=O)c1ccc(C)c(O)c1O)C(=O)O	1605006908	DAUWBILTYMHGSV-UHFFFAOYSA-N	281.308	1.779	10	20	CDCD	
O=C(O)c1cnc(S[C@H]2CCCNC2=O)s1	1610863391	WXFGLRXSLKNSOE-YFKPBYRVSA-N	258.324	1.212	10	20	CDCD	
Cc1cccc(CN2CCC([C@@H](O)C(=O)O)CC2)c1O	1610521871	BIPIOKSRVWBKTC-CQSZACIVSA-N	279.336	1.358	10	20	CDCD	
CCOc1cccc(CNC[C@@H]2CCO[C@@H]2C(=O)O)c1O	1597155862	UIVKJSSJCJZDLF-FZMZJTMJSA-N	295.335	1.370	10	20	CDCD	
C[C@@H]1C[C@@H]1[C@@H](NCc1ccc2c(c1)CCO2)C(=O)O	1776603683	YXXUPZPQSVEVJC-LJWDBELGSA-N	261.321	1.820	10	20	CDCD	
CC(C)CCC(=O)NCC(=O)NCc1ccc(O)c(O)c1	158994670	YCBWISRGEFEIBU-UHFFFAOYSA-N	294.351	1.266	10	20	CDCD	
C[C@@H]1CN(C(=O)Cc2ccc(N)cc2)CC[C@@H]1C(=O)O	312375691	QJIXBHWJZYAFGK-MFKMUULPSA-N	276.336	1.381	10	20	CDCD	
COc1cccc(CN[C@@H]2CCS(=O)(=O)[C@@H]2C)c1O	389186902	MQOHUJAJEHBZQW-MWLCHTKSSA-N	285.365	1.066	10	20	CDCD	
COc1ccc(O)c(CNC[C@@H](C)CCCO)c1	395038243	CLABPACUHRYLGX-NSHDSACASA-N	253.342	1.899	10	20	CDCD	
NC(=O)CC1CCN(Cc2cc(F)ccc2O)CC1	179937001	UXVXQYFQJLZPJO-UHFFFAOYSA-N	266.316	1.619	10	20	CDCD	
COC[C@H](C)CNC(=O)NCc1cccc(OC)c1O	175099104	AORMDNFJHJZWST-SNVBAGLBSA-N	282.340	1.483	10	20	CDCD	
Cc1cc(C(=O)N[C@@H]2CCNC2)c(C)n1-c1ccccn1	127279043	GJXZLJMZOGWLGA-CYBMUJFWSA-N	284.363	1.581	10	20	CDCD	
Cc1cccc(CN[C@H](C)CS(C)(=O)=O)c1O	124814346	JTYBAWOEVHQWCD-SNVBAGLBSA-N	257.355	1.223	10	20	CDCD	
CN1CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1	180882419	JZYPBUDSQNKWLM-GQCTYLIASA-N	276.336	1.275	10	20	CDCD	
CC[C@@H](C(N)=O)N1CCOc2cc(N(C)C)ccc21	130427639	VRRBDFZGMFNFDK-NSHDSACASA-N	263.341	1.215	10	20	CDCD	
CN(C)c1ccc(CNC(=O)C(C)(C)O)cc1F	191789875	JYUWWTDUMBRKFI-UHFFFAOYSA-N	254.305	1.279	10	20	CDCD	
CNC(=O)CCNC(=O)c1ccc(-n2c(C)ccc2C)cc1	80379870	PJNONTPEFWZFRU-UHFFFAOYSA-N	299.374	1.960	10	20	CDCD	
CC(C)NC(=O)CSc1ncc(C(=O)O)s1	381015048	UKFOSRLGBVZPEK-UHFFFAOYSA-N	260.340	1.458	10	20	CDCD	
COc1cccc(CN2CC[C@H](C)[C@H]2CO)c1O	191186383	ZRNBYJHVHXFXIO-CMPLNLGQSA-N	251.326	1.604	10	20	CDCD	
CCS(=O)(=O)CCN(C)Cc1cc(F)ccc1O	180196118	UZRLLYCTZPLZTN-UHFFFAOYSA-N	275.345	1.398	10	20	CDCD	
CCN1C(=O)/C(=C/c2ccc(C(=O)O)n2C)SC1=S	606445553	PKPLDVOFMZBNOV-TWGQIWQCSA-N	296.373	1.944	10	20	CDCD	
C[C@H](CO)CCCNC(=O)NCc1ccccc1O	270415355	YOPZTHPMLDEBKL-NSHDSACASA-N	266.341	1.600	10	20	CDCD	
COCCOCCOCCN(C)Cc1cccc(C)c1O	276131644	CPWCVBNNXDCURQ-UHFFFAOYSA-N	297.395	1.812	10	20	CDCD	
CCOc1ccc(O)c(CN(CCOC)CC(=O)OC)c1	271176618	JMUYMCQNLDBBOH-UHFFFAOYSA-N	297.351	1.412	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1ccn[nH]1	274927909	MUFFKHIACJMXCF-VIFPVBQESA-N	275.308	1.111	10	20	CDCD	
COc1cccc(CN[C@]2(C)CCOC2=O)c1O	289912560	UWJHAWMQMLEFHB-CYBMUJFWSA-N	251.282	1.196	10	20	CDCD	
COc1cc(Cl)cc(CN(C)CCOCCO)c1O	282807669	SKSFSPGXEXYOPP-UHFFFAOYSA-N	289.759	1.495	10	20	CDCD	
CC(=O)C(=O)Cn1nnnc1CCCc1ccccc1	808024758	PLIONXMZMNMRGW-UHFFFAOYSA-N	272.308	1.007	10	20	CDCD	
Cc1cc(CN(C)[C@H]2CCN(C)C2=O)ccc1N(C)C	293034027	JDKDNTABQLZRDG-HNNXBMFYSA-N	275.396	1.724	10	20	CDCD	
Cc1ccc(C(=O)OCc2ncnn2C(C)C)c(O)c1O	801251702	OVRSMPJZMCOZMA-UHFFFAOYSA-N	291.307	1.936	10	20	CDCD	
CCc1c(C(=O)NCc2ccc(O)c(O)c2)ccn1C	292205190	PLYWIMGGGJTRGY-UHFFFAOYSA-N	274.320	1.929	10	20	CDCD	
CCOc1ccc(O)c(CN2C[C@@H](CO)OC(C)(C)C2)c1	817412485	LRNJUNWAERFJCV-AWEZNQCLSA-N	295.379	1.763	10	20	CDCD	
CON(C)C(=O)CCNCc1ccc(N(C)C)c(F)c1	818984825	HWLOWUDWWGLFBY-UHFFFAOYSA-N	283.347	1.391	10	20	CDCD	
COc1ccc(O)c(CN=c2nn[nH]n2-c2ccccc2)c1	811805852	DAPHOSJYVPDSRV-UHFFFAOYSA-N	297.318	1.411	10	20	CDCD	
COC(=O)c1ccc(/C=C2\SC(=S)NC2=O)n1C	821021184	DNPAGEOIPFTTID-YVMONPNESA-N	282.346	1.301	10	20	CDCD	
COc1cccc(O)c1CN1CC[C@@H](OC(=O)N(C)C)C1	824576163	BNWSMXUKWWTBHX-LLVKDONJSA-N	294.351	1.673	10	20	CDCD	
C[C@@H]([C@H](C)C(=O)N[C@H](C)c1ccccc1O)S(C)(=O)=O	827946727	QPZJDSVMVCFXLX-AXFHLTTASA-N	299.392	1.639	10	20	CDCD	
CC[C@@H](O)[C@H](C)C(=O)NCc1ccc(O)c(O)c1	901130617	DORVROBXHYXFOS-WCBMZHEXSA-N	253.298	1.121	10	20	CDCD	
CC(C)N(CCC(=O)O)Cc1cc2c(cc1O)OC[C@H]2O	833497187	TUENLVUCIGEMTC-CYBMUJFWSA-N	295.335	1.503	10	20	CDCD	
CC(C)[C@H]1CN(C(=O)NCCc2ccc(N)cc2)CCO1	841960562	SMKFTIFWZAEXPQ-OAHLLOKOSA-N	291.395	1.878	10	20	CDCD	
C[C@@H](C(=O)NCc1ccc(O)cc1O)N1CCCCCC1	910953396	AIRASMSHCLDIBT-LBPRGKRZSA-N	292.379	1.979	10	20	CDCD	
CN(C)c1ccc(CN[C@@H](CN)C2CC2)cc1F	841027682	FFYSJLCFDRLRFF-ZDUSSCGKSA-N	251.349	1.719	10	20	CDCD	
O=C(NCc1ccc(N2CCCC2)cc1)NCC1CNC1	841709776	MJCVQEJQSUKULW-UHFFFAOYSA-N	288.395	1.305	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)[C@H]1C[C@H]2CC[C@H]1O2	910951591	UOHVVPKJBRRKBL-NTZNESFSSA-N	263.293	1.282	10	20	CDCD	
N=C(NCCCSc1nccs1)N1CCC1	849008843	VNSXWMRZDVBIPI-UHFFFAOYSA-N	256.400	1.855	10	20	CDCD	
O=C(CCCn1cncn1)NCc1ccccc1O	748345963	SRUFYUHSHCPTMD-UHFFFAOYSA-N	260.297	1.080	10	20	CDCD	
C[C@H](NC(=O)[C@H]1CC[C@@H]1C(N)=O)c1ccc(N(C)C)cc1	847760396	JQXPDYUFVJDTOU-BPNCWPANSA-N	289.379	1.441	10	20	CDCD	
COc1ccc(N(C)CCN(C)C(=O)CNC2CC2)cc1	846696725	GPBNGTAFLNZGCF-UHFFFAOYSA-N	291.395	1.342	10	20	CDCD	
C[C@H](NC(=O)Nc1ccc(N)cc1)[C@H](C)N1CCOCC1	841299904	JREXHJYHLIPRAN-RYUDHWBXSA-N	292.383	1.500	10	20	CDCD	
CCNCCNC(=O)N[C@@H](C)c1cc(OC)ccc1O	841934899	NAPVZCSPFSGWDG-JTQLQIEISA-N	281.356	1.371	10	20	CDCD	
CN1CCN(C)[C@@H](CNCc2ccc3c(c2)CCCO3)C1	921724406	IZSQDUOXSQYJLC-INIZCTEOSA-N	289.423	1.347	10	20	CDCD	
C[C@@H]1CN(Cc2cc3c(cc2O)OC[C@H]3O)C[C@@H]1C	768466177	NNJQNTMWYVGSAQ-ISTVAULSSA-N	263.337	1.906	10	20	CDCD	
C[C@@H]1C(=O)N(Cc2ccc(N3CC=CC3)cc2)C(=O)N1C	761378815	JDADXBKMLAYIGC-GFCCVEGCSA-N	285.347	1.845	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@]2(F)CCOC2)cc1F	1117666202	SNTTWSAEIFYJHT-AWEZNQCLSA-N	284.306	1.637	10	20	CDCD	
CC(C)CN1C[C@H](C(=O)N(C)c2ccc(N)cc2)CC1=O	877080100	GRYNOROEKJAQEQ-GFCCVEGCSA-N	289.379	1.736	10	20	CDCD	
CN(C(=O)C1(F)CCOCC1)c1ccc(N)cc1	877074717	QWFLOYPMFYBVSD-UHFFFAOYSA-N	252.289	1.750	10	20	CDCD	
COCCOC1CN(Cc2c(C)cccc2O)C1	877139931	GSEAATSANDURBQ-UHFFFAOYSA-N	251.326	1.548	10	20	CDCD	
CCN(C)C[C@H](O)CN[C@H](C)c1ccccc1O	879649122	ISKDJPVHMMBDLT-VXGBXAGGSA-N	252.358	1.355	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCO[C@@H]1C	773741204	TVXAINGUGCIZDC-CKYFFXLPSA-N	279.336	1.570	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CN2C[C@H]3C[C@@H]3C2)cc1	886341431	VBXTVQAPTBVQPJ-ZIAGYGMSSA-N	273.380	1.321	10	20	CDCD	
Cc1ccc(C(=O)N2CC[C@H](O)[C@@H](C)C2)c(O)c1O	779270602	YCNHZFNGTISDKN-ONGXEEELSA-N	265.309	1.249	10	20	CDCD	
O=C(NCCCOC[C@H]1CCOC1)c1cccc(O)c1O	776349397	CSMMSRZIILDXKR-LLVKDONJSA-N	295.335	1.271	10	20	CDCD	
Nc1ccc(CNC(=O)CNC(=O)C2CCCCC2)cc1	1122445656	WQPIAHQSSKMQPZ-UHFFFAOYSA-N	289.379	1.582	10	20	CDCD	
Cn1ccnc1[C@H]1CCN(C(=O)NCc2ccc(N)cc2)C1	1120677687	WVMOOCSUBBAVKH-ZDUSSCGKSA-N	299.378	1.701	10	20	CDCD	
C[C@H]1C[C@@H](NC(=O)NCc2ccc(N(C)C)cc2)C(=O)O1	883127343	SCGKXTXXCQHLJR-GXFFZTMASA-N	291.351	1.256	10	20	CDCD	
CN(CC(=O)NC1CC1)Cc1cc(F)cc(F)c1O	893912542	YHFWMDRWSJLWNW-UHFFFAOYSA-N	270.279	1.381	10	20	CDCD	
COc1cc(C)cc(CNCCn2cccn2)c1O	894198965	IEJJTPJOGJLEKB-UHFFFAOYSA-N	261.325	1.696	10	20	CDCD	
C[C@@H](NCc1cc(F)cc(F)c1O)c1ncnn1C	883101704	RKVCHXZUVHLXHO-SSDOTTSWSA-N	268.267	1.650	10	20	CDCD	
CNC(=O)c1cc(=NCc2ccc(N(C)C)cc2C)cc[nH]1	892564073	LTLPTYAKCVPGAL-UHFFFAOYSA-N	298.390	1.850	10	20	CDCD	
COc1cc(C)cc(CN2CC(N3CCCC3=O)C2)c1O	897781406	WZAUCGNVBWYBPK-UHFFFAOYSA-N	290.363	1.516	10	20	CDCD	
CC(C)C(=O)NCCN(C)Cc1cc(F)cc(F)c1O	894093449	DOQKHYHENGZTPV-UHFFFAOYSA-N	286.322	1.874	10	20	CDCD	
Cc1cc(NCc2ccccc2O)n2ncnc2n1	133740587	GEBMSCNVJXAPQA-UHFFFAOYSA-N	255.281	1.750	10	20	CDCD	
Cc1csc(C(=O)NCCc2ccc(O)c(O)c2)n1	1318948563	UTFAKHUQNVOQIT-UHFFFAOYSA-N	278.333	1.835	10	20	CDCD	
Cc1ccc(O)c(CNS(=O)(=O)c2c(C)n[nH]c2C)c1	1328770342	RIUDSMRFLCKNBS-UHFFFAOYSA-N	295.364	1.519	10	20	CDCD	
C[C@@H]1NCC[C@H]1C(=O)N(C)Cc1ccc(N(C)C)cc1	92953816	BANZFHINKVVVQL-SWLSCSKDSA-N	275.396	1.709	10	20	CDCD	
Cc1nc[nH]c1-c1nnc(N(C)Cc2ccccc2O)n1C	1341721248	YPJQUDJCVNFLTO-UHFFFAOYSA-N	298.350	1.856	10	20	CDCD	
O=C(NCc1cccc(O)c1O)c1coc(C2CC2)n1	1347232751	BHCZRNLNOOQTKA-UHFFFAOYSA-N	274.276	1.893	10	20	CDCD	
C[C@H](N[C@H](C)C(=O)N(C)C)c1cc(C(=O)O)ccc1O	1604356994	DLVKYUZXNPUCAV-DTWKUNHWSA-N	280.324	1.218	10	20	CDCD	
C[C@@H](CN(C(=O)c1cccc(O)c1O)C1CC1)C(=O)O	1604152230	AVZPDMFPESTZSJ-QMMMGPOBSA-N	279.292	1.423	10	20	CDCD	
O=C(O)c1ccc(C(=O)NCc2c(O)cccc2O)cc1	1602323947	RGQXXDLBPUTLCC-UHFFFAOYSA-N	287.271	1.726	10	20	CDCD	
C[C@@H](NC[C@H]1COCCN1C)c1cc(C(=O)O)ccc1O	1604339219	UTKLEMZTGLNZHM-PWSUYJOCSA-N	294.351	1.072	10	20	CDCD	
NC(=O)N=Nc1ccc(C(=O)NCCCCC(=O)O)cc1	1594645945	YESJEQJUDUCVHE-UHFFFAOYSA-N	292.295	1.834	10	20	CDCD	
CC[C@H](NCCn1cc(C(=O)O)nn1)c1ccccc1O	1595298152	AYBKIRBACIVYCZ-NSHDSACASA-N	290.323	1.423	10	20	CDCD	
O=[N+]([O-])c1cc(Cl)cc(CN(CCO)C2CC2)c1O	153601750	XXIMHDJLCYSBEV-UHFFFAOYSA-N	286.715	1.911	10	20	CDCD	
NC(=O)[C@@H]1CCN(Cc2cccc(Br)c2O)C1	157159377	PJFMGSYIAIYVBH-SECBINFHSA-N	299.168	1.462	10	20	CDCD	
C[C@@H](CN1CCCC1=O)NCc1ccc(N(C)C)cc1	37782475	HIUMPHIQYDNYKA-ZDUSSCGKSA-N	275.396	1.853	10	20	CDCD	
COc1cccc(CN[C@H]2CCN(C3CC3)C2)c1O	44684309	YULFWPIRRORMEO-LBPRGKRZSA-N	262.353	1.727	10	20	CDCD	
C[C@@H]1C[C@H](CNC(=O)c2cccc(O)c2O)CCO1	279877380	RKMSVPDFOVIYGO-NXEZZACHSA-N	265.309	1.643	10	20	CDCD	
CCn1cc(CNCc2cc(F)ccc2O)nn1	404445956	CXSJSFITWYSHGL-UHFFFAOYSA-N	250.277	1.433	10	20	CDCD	
CCOc1cccc(CN2CCN[C@@H](C)[C@H]2C)c1O	379444579	VVMCGSFGAZULPT-NWDGAFQWSA-N	264.369	1.973	10	20	CDCD	
COC(=O)c1cnc(SCCCC(=O)O)s1	1610219242	RMVFHZGELRUIAY-UHFFFAOYSA-N	261.324	1.887	10	20	CDCD	
CNC(=O)C1(C(=O)N[C@H](C)c2cc(OC)ccc2O)CC1	106285466	NSCMHTJIJGFFEZ-SECBINFHSA-N	292.335	1.104	10	20	CDCD	
O=C(NCCNCc1cc(Cl)ccc1O)C1CC1	134225185	RJHGOBMIEOSWLH-UHFFFAOYSA-N	268.744	1.661	10	20	CDCD	
CCN1CCO[C@@H](C(=O)NCc2ccc(N(C)C)cc2)C1	174439952	DUQVHPGVDACVSJ-OAHLLOKOSA-N	291.395	1.090	10	20	CDCD	
COc1cccc(CNC(=O)N[C@H](C)CSC)c1O	74327879	LUJVCJPQONRLAU-SECBINFHSA-N	284.381	1.952	10	20	CDCD	
CCCCNC(=O)CN[C@@H](C)c1cc(OC)ccc1O	182360259	DZLRPBLOIJSUKR-NSHDSACASA-N	280.368	1.968	10	20	CDCD	
Cc1ccc(NC(=O)C(=O)NCc2ccccc2O)cc1	72051890	IYEQBOVVZPCUPB-UHFFFAOYSA-N	284.315	1.956	10	20	CDCD	
COc1ccc(O)c(CNC(=O)N[C@@H](C)CSC)c1	77600103	YWAIBBDCASQCIC-VIFPVBQESA-N	284.381	1.952	10	20	CDCD	
CN(C)c1ccc(CNC(=O)Nc2ccncn2)cc1	190703903	QECJOKFBCNHGLS-UHFFFAOYSA-N	271.324	1.864	10	20	CDCD	
Cc1nnsc1C(=O)NCc1ccc(N(C)C)cc1	82270270	PPJVHMYJQQGCFJ-UHFFFAOYSA-N	276.365	1.843	10	20	CDCD	
CC(C)N(C)CC(=O)NCc1ccc(N(C)C)cc1	49398305	XAIDIKCDDIMJHA-UHFFFAOYSA-N	263.385	1.709	10	20	CDCD	
O=C(OCCN1CCCCC1)c1cccc(O)c1O	195963305	ZHFUJZZNGCOWBR-UHFFFAOYSA-N	265.309	1.741	10	20	CDCD	
C[C@H](O)CNC(=O)NCCCSc1nccs1	192526593	GNYQOSDIOHCWHE-QMMMGPOBSA-N	275.399	1.305	10	20	CDCD	
CCN(CC)CCOC(=O)c1cccc(O)c1O	195963298	YPDSAFRICZWIGA-UHFFFAOYSA-N	253.298	1.596	10	20	CDCD	
C[C@H](NCCc1cnn(C)c1)c1cc([N+](=O)[O-])ccc1O	273425756	UADWATAYWZREAZ-JTQLQIEISA-N	290.323	1.927	10	20	CDCD	
COCC1(NCc2cc([N+](=O)[O-])ccc2O)CCC1	283876235	GWRFZAIHBPANSR-UHFFFAOYSA-N	266.297	1.959	10	20	CDCD	
Cc1ccc(O)c(CNCC2(OCCO)CCOCC2)c1	282600362	HLQNVBPMKLHJHI-UHFFFAOYSA-N	295.379	1.348	10	20	CDCD	
COc1cccc(O)c1/C=C1\SC(=S)NC1=O	812392705	UMUCQDWPERCKAD-UITAMQMPSA-N	267.331	1.890	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)NC[C@H]2CCCCN2)c1	817949687	MIWYUKGWTWESNZ-DGCLKSJQSA-N	292.379	1.972	10	20	CDCD	
CC[C@@H](NC[C@@H]1CNCCO1)c1ccc(C)cc1O	817982022	AYYXMGCPRCECNB-GXTWGEPZSA-N	264.369	1.730	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2cnn(C)c2)c1	728980085	VHDMTBZEBPOELW-SECBINFHSA-N	275.308	1.625	10	20	CDCD	
CC(C)(C)N1CC[C@@H]1C(=O)NCc1ccccc1O	827758568	SFYLJQLJKLLBOR-GFCCVEGCSA-N	262.353	1.881	10	20	CDCD	
C[C@@H](C[C@@H]1CCOC1)NC(=O)c1c(F)ccc(O)c1O	826908890	HBZCOHCEKREFKR-IUCAKERBSA-N	283.299	1.782	10	20	CDCD	
COCC1(S(=O)(=O)NCc2ccc(N(C)C)cc2)CC1	829787643	XHNNAVCYWJTQTM-UHFFFAOYSA-N	298.408	1.351	10	20	CDCD	
C[C@H](NC(=O)NCc1ccccc1O)c1ccn(C)n1	838061739	PLUYUBUYXKBFAK-JTQLQIEISA-N	274.324	1.686	10	20	CDCD	
COc1ccc(CNC(=O)[C@H]2CCCC[C@]2(C)N)c(O)c1	832178879	YSXBOOQKIZZABT-CJNGLKHVSA-N	292.379	1.925	10	20	CDCD	
CC(C)[C@@H](C(=O)O)C(=O)N[C@H](C)c1ccccc1O	902516528	GZVZPRZKYBXIAU-BXKDBHETSA-N	265.309	1.926	10	20	CDCD	
Cc1c[nH]nc1CN(C)c1ccc(OCC(=O)O)cc1	902015988	IEGQSHUJLAMGEJ-UHFFFAOYSA-N	275.308	1.818	10	20	CDCD	
CCN(C)S(=O)(=O)Nc1cc(F)c(O)cc1Cl	901962687	KDGVGCMROZGLAL-UHFFFAOYSA-N	282.724	1.793	10	20	CDCD	
CN(C)c1ccc([C@@H](N)CNC(=O)[C@@]2(C)CC2(F)F)cc1	832267331	QPFBSWQRKSSFMP-GXTWGEPZSA-N	297.349	1.914	10	20	CDCD	
CCCN1C[C@@H](C(=O)N(C)Cc2ccccc2O)CC1=O	839542592	TYWJLFJTPDXLIY-ZDUSSCGKSA-N	290.363	1.609	10	20	CDCD	
COC(=O)C[C@]1(NC(=O)c2cc(O)cs2)CCCOC1	832353149	ODTXMCQPLQBYPX-CYBMUJFWSA-N	299.348	1.296	10	20	CDCD	
Nc1ccc(CC(=O)N2CCC[C@@H]2c2ncc[nH]2)cc1	832139838	GOHUVSNKBSIPSL-CYBMUJFWSA-N	270.336	1.898	10	20	CDCD	
CC(C)O[C@@H]1CCN(Cc2cc3c(cc2O)OC[C@@H]3O)C1	842611408	ZDFLTRCSCIJSHL-DOMZBBRYSA-N	293.363	1.817	10	20	CDCD	
CCOc1cccc(CN[C@@H](CCN)C(F)F)c1O	841075027	UOMZNXHXBGYLQV-JTQLQIEISA-N	274.311	1.863	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N(C)C1CC(N)C1	841823649	FSXYQTLESCQIMG-UHFFFAOYSA-N	290.411	1.692	10	20	CDCD	
CCc1cccc(CNc2ccn(CCC(N)=O)n2)c1O	848891556	SDDULADPMQLFNK-UHFFFAOYSA-N	288.351	1.639	10	20	CDCD	
C[C@H](N)[C@@H]1CN(Cc2c(O)ccc(Cl)c2F)CCO1	843056787	ZSYZTVSYIWSLCJ-UFBFGSQYSA-N	288.750	1.733	10	20	CDCD	
CCc1cccc(CN2C[C@@H](O)[C@H](OC)C2)c1O	848914419	JPSYEVBQMBIGDW-CHWSQXEVSA-N	251.326	1.146	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](C)CCCN	841825047	XIXPHJYFWLPRTA-CYBMUJFWSA-N	292.427	1.988	10	20	CDCD	
CCN1CCN(Cc2ccc(N(C)C)cc2C)CC1=O	840939957	SJEKJZMUWDFKEY-UHFFFAOYSA-N	275.396	1.725	10	20	CDCD	
C[C@H]1C[C@@H](C)N(C(=O)C(=O)Nc2ccc(N)cc2)C1	841046866	QAALJWBAJBJFLL-VHSXEESVSA-N	261.325	1.464	10	20	CDCD	
COc1cccc([C@H](C)NCCO[C@@H]2CCOC2)c1O	927083282	KJYDYKRSTGBAHG-NWDGAFQWSA-N	281.352	1.857	10	20	CDCD	
CCn1cc(CNC(=O)NCc2cc(C)ccc2O)cn1	858450809	JHYDCRBTAGYFSX-UHFFFAOYSA-N	288.351	1.916	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@H]2CC(=O)N(C3CC3)C2)c1	862759766	KWHVAYXLBCGOIE-LBPRGKRZSA-N	288.347	1.328	10	20	CDCD	
CC(F)(F)CCS(=O)(=O)NCc1ccc(O)cc1O	867417105	MUAXWGDQFUSQMJ-UHFFFAOYSA-N	295.307	1.563	10	20	CDCD	
O=C(NCCc1cn2c(n1)SCC2)c1cc(O)cs1	768737065	HOMFCCYHGSJWKA-UHFFFAOYSA-N	295.389	1.728	10	20	CDCD	
C[C@H](NC(=O)Cc1ccc(N)cc1)c1nnnn1C1CC1	877234376	RPDUROVJQONSTO-VIFPVBQESA-N	286.339	1.010	10	20	CDCD	
Cc1ccn(CC(=O)NCc2ccccc2O)c(=O)c1	772406996	OYRIAZMNYCLPMU-UHFFFAOYSA-N	272.304	1.179	10	20	CDCD	
COc1ccc(O)c(CN2CCC[C@@H]2CCO)c1	779202196	LFAFFQRVRUFHEI-GFCCVEGCSA-N	251.326	1.748	10	20	CDCD	
COC(=O)[C@H](O)C1CCN(Cc2c(C)cccc2O)CC1	876809393	FVAYDNYNOWETRS-OAHLLOKOSA-N	293.363	1.447	10	20	CDCD	
CCn1nccc1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	775893170	GVXOGMGEURWECF-SNVBAGLBSA-N	289.335	1.675	10	20	CDCD	
COc1ccc(O)c(CN2CCC[C@H]([C@@H](C)O)C2)c1	780893765	ZWEJMAOHVJPHPI-NEPJUHHUSA-N	265.353	1.994	10	20	CDCD	
Cc1ccc(C(=O)NCC(=O)NC2CCCC2)c(O)c1O	780917311	GOWWWQJWKPFJAW-UHFFFAOYSA-N	292.335	1.195	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@@H](N)C[C@@H]1C	891564951	NOADHEBTGFAXST-JSGCOSHPSA-N	290.411	1.692	10	20	CDCD	
COc1cc(C)cc(CN[C@H](C)CC(N)=O)c1O	894342204	JJOGFQRCWFQHFK-SECBINFHSA-N	252.314	1.063	10	20	CDCD	
CCO[C@@H]1C[C@@H](NCc2cc(C)cc(OC)c2O)[C@@H]1OC	894466530	HGKDFVHUUYGRAW-XPKDYRNWSA-N	295.379	1.991	10	20	CDCD	
CCOc1cc(O)ccc1NS(=O)(=O)N(C)CC	790408692	GYHWGPORZSZODL-UHFFFAOYSA-N	274.342	1.399	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)C1CCS(=O)(=O)CC1	1318768078	ONLAIJHRUTWLGH-UHFFFAOYSA-N	297.376	1.175	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(C)(C)O	274975075	KWGYJOMTZVQSHT-UHFFFAOYSA-N	264.369	1.872	10	20	CDCD	
COc1cccc(CNC(=O)[C@]2(F)CCOC2)c1O	1326726013	WWQVYDROCZITRG-ZDUSSCGKSA-N	269.272	1.146	10	20	CDCD	
Cn1cc(NC(=O)c2cccc(O)c2O)ccc1=O	186990185	MQJYMBRJDMUGSV-UHFFFAOYSA-N	260.249	1.049	10	20	CDCD	
C[C@@H]1O[C@H](C)C[C@H]1CNC(=O)c1cccc(O)c1O	686402244	XEMLRWQYJVQBOK-UTLUCORTSA-N	265.309	1.641	10	20	CDCD	
C[C@H]1CCN(CCNC(=O)/C=C/c2ccc(O)c(O)c2)C1	1325051483	SAQNCTNTHINSFQ-PYEVWLCESA-N	290.363	1.569	10	20	CDCD	
CNC[C@H](C)CNC(=O)NCc1ccc(N(C)C)cc1	1327460511	NKEAPKCDZVBKSH-LBPRGKRZSA-N	278.400	1.407	10	20	CDCD	
Nc1ccc(NC(=O)N2CCC[C@@H]3COC[C@@H]32)cc1	690351334	ZLODEUWUUOKVHL-MFKMUULPSA-N	261.325	1.912	10	20	CDCD	
CC[C@H]1CN(C(=O)NCc2ccc(N)cc2)[C@@H](C)CO1	1337019743	UHVDRDYIFMPTFQ-FZMZJTMJSA-N	277.368	1.978	10	20	CDCD	
Cn1nccc1CCNC(=O)NCc1ccc(N)cc1	1336860124	VOINADQQNWTXHE-UHFFFAOYSA-N	273.340	1.044	10	20	CDCD	
CCS(=O)(=O)Cc1nc(Cc2ccc(N)cc2)no1	1345956297	BIJHEMMUDFAHIV-UHFFFAOYSA-N	281.337	1.177	10	20	CDCD	
CC[C@H](O)CCCNC(=O)NCc1ccc(N)cc1	1262603664	QGLNTHAJSHCCLX-ZDUSSCGKSA-N	265.357	1.619	10	20	CDCD	
Nc1ccc(CC(=O)N[C@H]2C[C@@H](C(=O)O)[C@@H]3C[C@H]23)cc1	1601216305	VBKWYBPAQWHBIH-XQHKEYJVSA-N	274.320	1.037	10	20	CDCD	
CCOCCOc1ccc(N(C)C)c(C(=O)O)c1	1605639564	XBDHDUQHXFHOEB-UHFFFAOYSA-N	253.298	1.866	10	20	CDCD	
C[C@@H](N[C@H]1C[C@@H](O)C1)c1cc(C(=O)O)ccc1O	1593360527	SURDIQCBWLYLGC-QNSHHTMESA-N	251.282	1.264	10	20	CDCD	
COc1cc(Cl)cc(CNCCC[S@@](C)=O)c1O	169089007	QMUSXAZPVZMVJL-SFHVURJKSA-N	291.800	1.912	10	20	CDCD	
CCN(CCS(C)(=O)=O)Cc1cc(C)cc(C)c1O	164603321	JLDZAASETYTPCM-UHFFFAOYSA-N	285.409	1.876	10	20	CDCD	
CCOc1ccc(O)c(CN(C)[C@@H]2CCS(=O)(=O)C2)c1	157643712	SHNBFEHRXYCBCJ-GFCCVEGCSA-N	299.392	1.410	10	20	CDCD	
C[C@H](NCc1cc(F)ccc1O)c1nnc2n1CCC2	230935627	AUTKSXBFKQDBAZ-VIFPVBQESA-N	276.315	1.920	10	20	CDCD	
O=C(c1cccc(O)c1O)N(CCO)Cc1ccccc1	126375324	WPPZVOQCGBLXBL-UHFFFAOYSA-N	287.315	1.733	10	20	CDCD	
CN1CCC[C@@H](CNC(=O)c2cccc(O)c2O)C1	126352772	LMNDCWGFJQLEMB-JTQLQIEISA-N	264.325	1.169	10	20	CDCD	
C[C@@H](CNC(=O)c1cccc(O)c1O)N1CCCC1	126497495	GHNIEOMYGMGDTD-JTQLQIEISA-N	264.325	1.312	10	20	CDCD	
CCc1nn(C)cc1CNCc1cccc(OC)c1O	157936056	ZJKQORIBJYWQQL-UHFFFAOYSA-N	275.352	1.987	10	20	CDCD	
C[C@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)N(C)C	37267755	FBFQDOKRBYBIGF-RYUDHWBXSA-N	263.385	1.880	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NCCC(=O)N(C)C)c1	37751570	JZTVVNYNPUCEAD-SNVBAGLBSA-N	266.341	1.530	10	20	CDCD	
Oc1cc2c(cc1CN[C@H]1CCN(C3CC3)C1)OCO2	44687868	HJRDSXREHFUUMX-NSHDSACASA-N	276.336	1.447	10	20	CDCD	
CC(=O)NCCN(C)Cc1cc(Cl)cc(C(C)=O)c1O	308251732	BOOVWSJXJLZSGS-UHFFFAOYSA-N	298.770	1.816	10	20	CDCD	
O=C(O)[C@@H]1CCN(Cc2cc(F)cc(F)c2O)C1	708075945	QUBRDRFKHNNMEV-SSDOTTSWSA-N	257.236	1.577	10	20	CDCD	
Oc1c(F)cc(F)cc1CNCC1(O)CCOCC1	708516789	LPQVWQRXEJWVLJ-UHFFFAOYSA-N	273.279	1.302	10	20	CDCD	
Oc1ccc(F)cc1CN1C[C@@H]2CCNC[C@@H]2C1	904420921	YNOVLMYOXJFRDU-CMPLNLGQSA-N	250.317	1.573	10	20	CDCD	
C[C@H]1C[C@H](NC(=O)c2cccc(O)c2O)CS1	397873551	UKEXBTLRYIJHGN-YUMQZZPRSA-N	253.323	1.722	10	20	CDCD	
CCN(CC)c1ccc(CNS(=O)(=O)N(C)C)cc1	56105665	CKNXKPGSWRTXMR-UHFFFAOYSA-N	285.413	1.429	10	20	CDCD	
Cc1ccc(C(=O)NCc2cccnc2)c(O)c1O	177660584	RPXZFALCHFSWBG-UHFFFAOYSA-N	258.277	1.731	10	20	CDCD	
C[C@H](NCc1ccccc1O)C(=O)NCc1ccco1	111399118	LAPXBNHPZAKGDB-NSHDSACASA-N	274.320	1.780	10	20	CDCD	
CN(Cc1cc2c(cc1O)OCO2)[C@@H]1CCCCNC1=O	123973088	DAUWUNMKKWVXTR-LLVKDONJSA-N	292.335	1.221	10	20	CDCD	
CC(C)(C)N1C[C@H](NC(=O)Nc2ccc(N)cc2)CC1=O	217285443	HLFGPZFKHKYYKH-GFCCVEGCSA-N	290.367	1.790	10	20	CDCD	
Cc1cccc(CN2CC[C@@H](CS(C)(=O)=O)C2)c1O	366554580	MRCOGPUYYLBLAA-GFCCVEGCSA-N	283.393	1.567	10	20	CDCD	
COc1cccc(CNC(=O)CCOCC(F)F)c1O	189553021	MJGHCMQOBPUMEY-UHFFFAOYSA-N	289.278	1.689	10	20	CDCD	
O=C(N[C@H]1CCC[C@H]2OCC[C@H]12)c1cccc(O)c1O	193134309	OSZQJQOKOGLODY-SUZMYJTESA-N	277.320	1.785	10	20	CDCD	
COC[C@H](C)CNC(=O)NCc1ccc(N(C)C)cc1	140298686	XOUDQVSZYOCWSZ-GFCCVEGCSA-N	279.384	1.834	10	20	CDCD	
CC(C)CN(CC(N)=O)Cc1cc(F)ccc1O	179938377	TXUDKXZUNAKWBR-UHFFFAOYSA-N	254.305	1.475	10	20	CDCD	
CCOC(=O)[C@@H](C)CNC(=O)/C=C/c1ccc(O)c(O)c1	272703517	WQZALYSOQVRJBF-STUBTGCMSA-N	293.319	1.426	10	20	CDCD	
CCOc1cccc(CN2C[C@@H]3[C@@H](CO)[C@@H]3C2)c1O	367782779	USRLQMUNUPEUGT-ITGUQSILSA-N	263.337	1.461	10	20	CDCD	
O=C(/C=C/c1ccc(N2CCOCC2)cc1)NCCF	281841530	QNYDFUUKHSOANK-ZZXKWVIFSA-N	278.327	1.622	10	20	CDCD	
COC(=O)[C@@H](NCc1cc(Cl)c(F)cc1O)[C@@H](C)O	294834329	YRQWMFYAOOXFMZ-KBUNVGBDSA-N	291.706	1.197	10	20	CDCD	
Cc1cc(C)c([C@H](C)NC[C@H]2CN(C)CCN2C)c(O)c1	293885069	VPQHRFMSVLOQLZ-GJZGRUSLSA-N	291.439	1.905	10	20	CDCD	
Oc1cccc(Cl)c1CN1CCOC[C@@H](O)C1	294823776	PDMSXMYKBUIBGH-VIFPVBQESA-N	257.717	1.239	10	20	CDCD	
CC(=O)C(=O)COC(=O)CCc1ccccc1F	808489856	GZBKFGHMMYFDJK-UHFFFAOYSA-N	252.241	1.460	10	20	CDCD	
C[C@H]1NCC[C@H]1C(=O)N1CCOc2cc(N(C)C)ccc21	563211214	SJSZMGQWWFXUNI-DGCLKSJQSA-N	289.379	1.476	10	20	CDCD	
CC[C@@H](CNC(=O)N(C)Cc1ccccc1O)OC	290968333	BKIVEEDDCYCJJI-LBPRGKRZSA-N	266.341	1.959	10	20	CDCD	
C[C@H](NC[C@@H](N)c1ccc(N(C)C)cc1)c1c[nH]ccc1=N	817942580	PPPZVOBRVVSPPG-YVEFUNNKSA-N	299.422	1.911	10	20	CDCD	
Cn1cnc(NCc2c(O)ccc(Cl)c2F)n1	814255336	IXGSEGVNBVCVCK-UHFFFAOYSA-N	256.668	1.925	10	20	CDCD	
CN1CCCc2cc(CNC(=O)C3(C)CNC3)ccc21	827913883	RGWOENLIANQYID-UHFFFAOYSA-N	273.380	1.295	10	20	CDCD	
COc1cccc(CN[C@@H](C)c2nc(C)no2)c1O	729683962	IAQRLHYRXOAODP-QMMMGPOBSA-N	263.297	1.943	10	20	CDCD	
Cc1cncc(C(=O)NC[C@H](N)c2ccc(N(C)C)cc2)c1	832274830	ZNYBBTZSCXHBLZ-INIZCTEOSA-N	298.390	1.886	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@H](C)NC(=O)O)c1	739925569	PTIIRMQUWRDLKM-SFYZADRCSA-N	282.296	1.234	10	20	CDCD	
CC(C)CN1C[C@H](C(=O)NCc2ccc(N)cc2)CC1=O	837303430	OGSAHLADNKXMET-CYBMUJFWSA-N	289.379	1.390	10	20	CDCD	
COC[C@@]1(C)CCN(Cc2cc3c(cc2O)OC[C@H]3O)C1	840104150	JBGBAZJXCSLYTJ-ZBFHGGJFSA-N	293.363	1.676	10	20	CDCD	
CCC[C@@H](CCO)CNC(=O)NCCc1ccc(N)cc1	841958784	STTUJTWJKRXJHP-AWEZNQCLSA-N	293.411	1.909	10	20	CDCD	
COC[C@H]1C[C@@H](O)CN1Cc1cccc(C)c1O	846052606	HRVAMGOTIWLAEM-CHWSQXEVSA-N	251.326	1.282	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNCCOCCO	840928260	MSYWSDBXLVUFPX-UHFFFAOYSA-N	252.358	1.160	10	20	CDCD	
Nc1ccc(NC(=O)[C@@H]2CCc3n[nH]cc3C2)cc1	911660570	KZZRUOYWULZHPU-SECBINFHSA-N	256.309	1.736	10	20	CDCD	
CCc1cccc(CN2CCn3nc(C)nc3C2)c1O	848887170	PGUXVUHDDDZSDI-UHFFFAOYSA-N	272.352	1.870	10	20	CDCD	
C[C@@]1(NC(=O)NCCc2ccc(N)cc2)CCCOC1	841960994	YWXBNQUCHFTVGK-OAHLLOKOSA-N	277.368	1.680	10	20	CDCD	
NCCC(=O)NC[C@@H]1CCCCN1Cc1ccccc1O	843122009	MXDDTACINXHECC-AWEZNQCLSA-N	291.395	1.212	10	20	CDCD	
COc1cccc(O)c1CN[C@H]1CCN(CC(F)F)C1	841893772	IZPWJIFTIOHBET-JTQLQIEISA-N	286.322	1.830	10	20	CDCD	
COc1ccc(O)c(CN[C@H](CCN)C(F)F)c1	841073592	HEGSKXMHLLKOPZ-SNVBAGLBSA-N	260.284	1.473	10	20	CDCD	
C[C@H](NC(=O)N1CCC(N)CC1)c1ccc(N(C)C)cc1	841884246	ZHOIXACVZDCTNE-LBPRGKRZSA-N	290.411	1.946	10	20	CDCD	
C[C@H](CN)NCc1cc(Cl)cc([N+](=O)[O-])c1O	841060131	PLMNTXMJLQQIRE-ZCFIWIBFSA-N	259.693	1.391	10	20	CDCD	
CC[C@H](O)CCCNC(=O)NCCc1ccc(N)cc1	841954512	MZXADIGDKSOHCC-AWEZNQCLSA-N	279.384	1.662	10	20	CDCD	
COc1cccc(CNC[C@H]2CCCNC2)c1O	841032616	HXMLYPFLPSTFRI-NSHDSACASA-N	250.342	1.490	10	20	CDCD	
COC(=O)C[C@H](NC(=O)c1cc(O)cs1)C1CC1	754036205	ISIREMVMFUQBAQ-VIFPVBQESA-N	269.322	1.525	10	20	CDCD	
Cc1nonc1C(=O)NCc1cc(Cl)ccc1O	857547790	UERXLTFXOVSBPH-UHFFFAOYSA-N	267.672	1.667	10	20	CDCD	
O=C(c1cc(O)cs1)N1C[C@@H]2[C@@H](C1)[C@H]1C=C[C@H]2O1	854820892	HHZCELJLOCIYAN-GWOFURMSSA-N	263.318	1.479	10	20	CDCD	
Cc1ccc(CNC[C@H]2CC(=O)N(C3CC3)C2)c(O)c1	877614060	UQSWTPZBZZKFBB-GFCCVEGCSA-N	274.364	1.801	10	20	CDCD	
COC(=O)C[C@@]1(NCc2ccc(C)cc2O)CCOC1	877379628	DRGNLWSRHJERCO-HNNXBMFYSA-N	279.336	1.512	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCSC1	773750417	GMGFWNLXONMSKJ-ONGXEEELSA-N	281.377	1.898	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@H]2CCOC2)c1O	775037509	NSZHELMAOQTJAC-VIFPVBQESA-N	268.269	1.188	10	20	CDCD	
CCC[C@@H](O)CC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	773745990	SCTKHCWARAJVGF-CMPLNLGQSA-N	281.352	1.696	10	20	CDCD	
C[C@H]1NC(=S)N([C@H](C)c2ccc(N(C)C)cc2)C1=O	773899568	QGKGHZVOEWMJIN-NXEZZACHSA-N	277.393	1.919	10	20	CDCD	
CSC[C@](C)(O)CNC(=O)/C=C/c1ccc(O)c(O)c1	779483554	DYHVTDBAQZDPMY-YVARQFDVSA-N	297.376	1.341	10	20	CDCD	
COc1cc(C)cc(CN2[C@H](C)C(=O)N[C@@H](C)[C@H]2C)c1O	895123040	WHELVTCRTOVQCE-QJPTWQEYSA-N	292.379	1.807	10	20	CDCD	
CCOc1cccc(CN2C[C@H](O)C[C@@H]2C)c1O	788266787	BQXOGFDVNQMLQX-CMPLNLGQSA-N	251.326	1.746	10	20	CDCD	
CCN(CCOCCO)Cc1ccc(OC)c(OC)c1O	894257965	ZVRWISRUCQUMCR-UHFFFAOYSA-N	299.367	1.240	10	20	CDCD	
COCCS(=O)(=O)Nc1ccc(O)cc1SC	792702716	YBJICBJGXACEST-UHFFFAOYSA-N	277.367	1.502	10	20	CDCD	
O=C(OCc1cncc(F)c1)c1cccc(O)c1O	795595761	UGLGNLBQUXAAQR-UHFFFAOYSA-N	263.224	1.989	10	20	CDCD	
COc1cccc(O)c1CNC[C@H](CO)[C@H]1CCOC1	795583999	VDYNZBZUZVJZQW-NWDGAFQWSA-N	281.352	1.135	10	20	CDCD	
CC[C@H](C(=O)NCc1cc(OC)ccc1O)[C@H](C)O	790070744	FYTPXJJWPFKFSO-CABZTGNLSA-N	267.325	1.424	10	20	CDCD	
CC[C@@](C)(OC)C(=O)NCc1cc(OC)ccc1O	795102417	XDRGWHXCIJTIPA-CQSZACIVSA-N	267.325	1.832	10	20	CDCD	
CC(C)n1nccc1C(=O)NCc1ccc(N)cc1	1515333435	PSSFUKDXGPTNGB-UHFFFAOYSA-N	258.325	1.976	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](C)CNC	92134359	WGPNHXHQHRWOPE-ZDUSSCGKSA-N	277.412	1.957	10	20	CDCD	
CO[C@H]1CCN(c2nnc(-c3sccc3O)n2C)C1	1338089246	WCINFJHCDZIRIE-QMMMGPOBSA-N	280.353	1.474	10	20	CDCD	
C[C@](CO)(CNCc1ccc2c(c1)CCCO2)CC(=O)O	1335192740	OTNFDELYVSZGGX-MRXNPFEDSA-N	293.363	1.575	10	20	CDCD	
Cc1ccc(C(=O)N(C)Cc2ccn(C)n2)c(O)c1O	1336297445	QXOSIEBTQFFWLI-UHFFFAOYSA-N	275.308	1.412	10	20	CDCD	
CC[C@@H]1CC[C@@H](C(=O)NCc2cccc(O)c2O)O1	1347543246	ZBZXBCLDXVXPFK-PWSUYJOCSA-N	265.309	1.672	10	20	CDCD	
CC(C)[C@@H](CNC(=O)NCc1c(O)cccc1F)C(=O)O	1343118632	RBCRALCWURXOCY-SECBINFHSA-N	298.314	1.687	10	20	CDCD	
Cc1cc(CN2C[C@H](O)C[C@@H](C(=O)O)C2)ccc1N(C)C	1600191866	INMDQJSESKWLCL-ZIAGYGMSSA-N	292.379	1.328	10	20	CDCD	
COC[C@]1(C(=O)O)CCCN1Cc1cccc(OC)c1O	1606833749	TYMFHUKUACLKPR-HNNXBMFYSA-N	295.335	1.466	10	20	CDCD	
C[C@H]1CC[C@H](NC(=O)NCc2cccc(Cl)c2O)CN1	1576666347	MOMBSSSLJRMVTC-ONGXEEELSA-N	297.786	1.985	10	20	CDCD	
Nc1ccc(CC(=O)N2CCCc3c(O)ncnc32)cc1	1580442733	HBNFYDCPMFKZHW-UHFFFAOYSA-N	284.319	1.286	10	20	CDCD	
CN(C)c1ccc(/C=C\CN[C@@H](CF)C(=O)O)cc1	1598314575	YJENBJFHRMSTHI-SCOBNMCVSA-N	266.316	1.778	10	20	CDCD	
CC(C)N1CC[C@H](N(C)C(=O)c2cccc(O)c2O)C1	837187794	BJRSYVGNQMABAJ-NSHDSACASA-N	278.352	1.653	10	20	CDCD	
C[C@@H]1CN2CCC[C@H]2CN1C(=O)Cc1ccc(N)cc1	251825874	PFTWSXAKJXMKFB-DOMZBBRYSA-N	273.380	1.506	10	20	CDCD	
Cc1ccc(O)c([C@@H](C)NCC2(O)CCN(C)CC2)c1	273607921	UUKBFYCZEOCRBO-CYBMUJFWSA-N	278.396	1.808	10	20	CDCD	
CN(C)CCOCCN[C@@H]1CCc2cccc(O)c21	382181735	UKLDDFSAAJJWNU-CYBMUJFWSA-N	264.369	1.547	10	20	CDCD	
Nc1ccc(CC(=O)NC2CC(CC(=O)O)C2)cc1	718080123	QVXHXCCVZFXGAB-UHFFFAOYSA-N	262.309	1.181	10	20	CDCD	
CCNC(=O)CCCC(=O)N(C)Cc1ccccc1O	104853130	JYULNKMMCMCNAE-UHFFFAOYSA-N	278.352	1.657	10	20	CDCD	
CO[C@@H](C)C(=O)NCc1ccc(N(C)C)c(F)c1	58730905	OJNJYAIYNPDQTJ-VIFPVBQESA-N	254.305	1.543	10	20	CDCD	
CC(=O)c1cc(Cl)cc(CN(C)Cc2nnc[nH]2)c1O	177139076	ICAGUOAZTLLZML-UHFFFAOYSA-N	294.742	1.998	10	20	CDCD	
CNCCCC(=O)NCc1ccc(N2CCCC2)cc1	178710339	QXMYYNKMZJHYLO-UHFFFAOYSA-N	275.396	1.903	10	20	CDCD	
Cc1ccc(C(=O)NCC(=O)N2CCCCC2)c(O)c1O	177681357	OPBCZDCBMKISOS-UHFFFAOYSA-N	292.335	1.149	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2cncc(O)c2)c1	111608325	FAGPBBSDFWSIAL-SECBINFHSA-N	288.303	1.992	10	20	CDCD	
C[C@@H](N)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1	40855908	TUMDIHNOWHXYML-CYBMUJFWSA-N	275.396	1.983	10	20	CDCD	
CCN(CC)c1ccc(CNS(=O)(=O)CC)cc1	48906366	KAVVTGJGQBPZPI-UHFFFAOYSA-N	270.398	1.972	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)NCCOCC(F)F	190267310	GNXYJDNTWUAJKE-UHFFFAOYSA-N	288.294	1.815	10	20	CDCD	
CN1C[C@@H](C(=O)N(C)Cc2ccc(N(C)C)cc2)CC1=O	46321263	MYDIMYWEMKUKMI-ZDUSSCGKSA-N	289.379	1.189	10	20	CDCD	
COC(=O)N[C@H](C(=O)NCc1ccc(O)c(O)c1)C(C)C	269078810	HRKSJDQVOWCWSD-LBPRGKRZSA-N	296.323	1.095	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2CCCO[C@@H](C)C2)c1O	278194994	IMSFCEJQARYUSB-JTQLQIEISA-N	296.323	1.920	10	20	CDCD	
Cc1ccc(C(=O)N2CC[C@H]3CCN(C)C[C@H]32)c(O)c1O	272914737	DNEFWWWWXSZIFO-DGCLKSJQSA-N	290.363	1.572	10	20	CDCD	
C[C@@H](O)c1cn(C2CN(Cc3cc(F)ccc3O)C2)nn1	374798620	HQGXZFKLSNZTJT-SECBINFHSA-N	292.314	1.233	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2CCc1ccnn1C	284465001	SDDOHLAYMBNRKC-UHFFFAOYSA-N	286.379	1.928	10	20	CDCD	
C[C@H](N[C@@H](C)c1ccccc1O)C(=O)NCCF	282946625	ZAQYYVZLAZMEFX-UWVGGRQHSA-N	254.305	1.517	10	20	CDCD	
COC(=O)[C@H]1CC[C@H]1C(=O)NCc1cccc(OC)c1O	286865656	YHSSHUVLVNMQAC-MNOVXSKESA-N	293.319	1.216	10	20	CDCD	
C[C@@H](CN)C(=O)N1CCOc2cc(N(C)C)ccc21	286128266	OTPFBFBKZMRYPQ-JTQLQIEISA-N	263.341	1.073	10	20	CDCD	
Cc1nc(NCc2ccccc2O)ncc1C(=O)O	1777523517	YSJORABVHQXKNF-UHFFFAOYSA-N	259.265	1.801	10	20	CDCD	
C[C@@H](NCCCN1CCNCC1)c1cc(Cl)ccc1O	817937547	XQBGEBMODWLWOG-GFCCVEGCSA-N	297.830	1.992	10	20	CDCD	
COc1ccc(CNC(=O)[C@@H]2C[C@H](C)CCN2)c(O)c1	818000980	WUIYKGSWENWRDM-MFKMUULPSA-N	278.352	1.405	10	20	CDCD	
CC(=O)N[C@@H]1CCN(Cc2ccc(N(C)C)c(C)c2)C1	817280717	KSMODJGVRCKGAK-OAHLLOKOSA-N	275.396	1.771	10	20	CDCD	
CN1CCCc2cc(CNC(=O)c3cnnc(O)c3)ccc21	824683014	SIXAONUYBSDECV-UHFFFAOYSA-N	298.346	1.495	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)CC2(O)CCC2)c1	825736776	JLFAVUBVRUYVBK-JTQLQIEISA-N	279.336	1.883	10	20	CDCD	
C[C@@H](NC(=O)[C@@H](C)N(C)C)c1ccc(N(C)C)cc1	822081512	DXJPZPDBNMRJFK-VXGBXAGGSA-N	263.385	1.880	10	20	CDCD	
CC[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)[C@H](C)O	824921644	OPDRDBSUVYYMHH-SWLSCSKDSA-N	296.386	1.911	10	20	CDCD	
CON1CCC(N(C)Cc2cc(F)ccc2O)CC1	835076352	OEARRNHIGYJISG-UHFFFAOYSA-N	268.332	1.989	10	20	CDCD	
C[C@H](NC[C@@]1(C)CCC(=O)N1)c1cc(F)ccc1O	834908897	MQOMFVQOMMBREQ-LKFCYVNXSA-N	266.316	1.851	10	20	CDCD	
O=C(O)C[C@H]1CCCN1Cc1cc2c(cc1O)OCO2	833211169	ULXAGVPBCJZXNK-SNVBAGLBSA-N	279.292	1.560	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)[C@H](O)C1CCCCC1	910947752	LXFYGVDYNSVSAU-CQSZACIVSA-N	279.336	1.655	10	20	CDCD	
COc1ccc(O)c([C@H](C)N[C@@H](CO)CCF)c1	846097472	PILMMEXHLIZKMA-VHSXEESVSA-N	257.305	1.772	10	20	CDCD	
CCN1C[C@H](CN[C@@H](C)c2ccccc2O)CC1=O	846209717	SMKXFTCBTJBBKZ-RYUDHWBXSA-N	262.353	1.911	10	20	CDCD	
COc1ccc(N(C)CCN(C)Cc2nncn2C)cc1	844401152	KPDIEJMDUXHTES-UHFFFAOYSA-N	289.383	1.392	10	20	CDCD	
CC[C@@](C)(CNC(=O)NCCc1ccc(N)cc1)OC	841907888	GXHJOSFOEOBLJR-HNNXBMFYSA-N	279.384	1.926	10	20	CDCD	
O=C(CCCCN1CCCC1)NCc1ccc(O)cc1O	910952025	PGIONOZYEJWDMU-UHFFFAOYSA-N	292.379	1.980	10	20	CDCD	
COCC1(NC(=O)NCCc2ccc(N)cc2)CC1	841960298	LHNNIEXNBQXAMO-UHFFFAOYSA-N	263.341	1.290	10	20	CDCD	
CCCN1CC(=O)N[C@H]1c1ccc2c(c1)CCN2C	840825183	VDXSWEAUWNLAPB-OAHLLOKOSA-N	259.353	1.519	10	20	CDCD	
CC[C@@H](O)CNC(=O)NCCCSc1nccs1	853858510	NHXFHZNFSZSDDI-SECBINFHSA-N	289.426	1.695	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)C[C@H]2CCC(=O)N2C)c1	862755232	POGRICVNJUXNAN-GFCCVEGCSA-N	276.336	1.328	10	20	CDCD	
CCOCC(=O)NCc1cccc(Br)c1O	765751162	QFWDTTFYHRXPOL-UHFFFAOYSA-N	288.141	1.807	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@H](C)O	765499916	MXILGRPJVFXUHZ-LLVKDONJSA-N	265.357	1.241	10	20	CDCD	
CCOc1cccc(CNCC[C@@H](C)NC)c1O	1118020327	UUZHFRLMIBKMLR-LLVKDONJSA-N	252.358	1.879	10	20	CDCD	
C[C@]1(C(=O)O)C[C@@H](NCc2ccc3c(c2)CCO3)CCO1	1119615787	RZUQPFSSJBOOAK-XJKSGUPXSA-N	291.347	1.733	10	20	CDCD	
CC1=NO[C@H](CNC(=O)NCc2ccccc2O)C1	875968606	WZDPGSIANSXBAP-NSHDSACASA-N	263.297	1.356	10	20	CDCD	
COc1ccc(O)c(CNC(=O)N[C@@H]2CCO[C@@H](C)C2)c1	770271233	FKMBWYXNOMLIGO-CMPLNLGQSA-N	294.351	1.768	10	20	CDCD	
C[C@@H]1C[C@@H](NC(=O)/C=C\c2ccc(O)c(O)c2)CCO1	779547813	NQNMNWUXQGPYHZ-FTXDBJGXSA-N	277.320	1.795	10	20	CDCD	
CN(C)c1ccc(CN(C)[C@]2(CO)CCOC2)cc1	785793119	FMNUESOWJYJSER-HNNXBMFYSA-N	264.369	1.336	10	20	CDCD	
C[C@@H](OC(=O)c1cccc(O)c1O)c1cnccn1	784787433	IYGZNDIZTDJEFI-MRVPVSSYSA-N	260.249	1.806	10	20	CDCD	
CC[C@@H](C(=O)N(C)Cc1ccccc1O)[C@@H](C)O	789988101	ACJJRYNPWMJAHJ-ZYHUDNBSSA-N	251.326	1.758	10	20	CDCD	
CCOc1ccc(CN[C@H]2C(=O)NCC[C@@H]2C)c(O)c1	799347936	SLHAOQYWFPRMDX-IINYFYTJSA-N	278.352	1.405	10	20	CDCD	
C[C@H]1CN(Cc2c(O)ccc(Cl)c2F)C[C@@H](CO)O1	792181212	YAAIRAULMCDDJK-IUCAKERBSA-N	289.734	1.766	10	20	CDCD	
O=C(CNCc1ccc(Br)cc1O)NC1CC1	701120226	YMNPQFSQMNSQBX-UHFFFAOYSA-N	299.168	1.523	10	20	CDCD	
CC[C@H](C)CCNC(=O)C(=O)N(C)Cc1ccccc1O	1327793577	TUTHJFCSMJSGLA-LBPRGKRZSA-N	292.379	1.903	10	20	CDCD	
OCc1nnc(NCc2ccc(N3CCCC3)cc2)o1	1257211593	BAFSJLNJUISKAE-UHFFFAOYSA-N	274.324	1.774	10	20	CDCD	
Nc1ccc(CN2CCCN(C[C@H]3CCCO3)CC2)cc1	1334775098	RFLXZVGDGHSUGD-QGZVFWFLSA-N	289.423	1.956	10	20	CDCD	
C[C@@H](NC(=O)CO[C@H]1CCOC1)c1ccccc1O	1330897128	QPJKPHBKKSFZRG-MNOVXSKESA-N	265.309	1.375	10	20	CDCD	
C[C@H]1CN(Cc2cc3c(cc2O)OCO3)[C@@H](C)CN1C	775984365	FUSZPIQYURAGBF-QWRGUYRKSA-N	278.352	1.645	10	20	CDCD	
Cc1ccc(O)c(CN[C@H](C(=O)O)c2ccn(C)n2)c1	1600464679	INDYQJQNCFFLQA-ZDUSSCGKSA-N	275.308	1.350	10	20	CDCD	
O=C(O)[C@H]1C[C@H](O)CN(Cc2cc(Cl)ccc2O)C1	1601770484	XDSQBUVOSSYXNU-ONGXEEELSA-N	285.727	1.313	10	20	CDCD	
Cc1cc(O)c(CN2CCOC[C@@H]2C(=O)O)cc1Cl	1607699302	JLYGMXNZQYPNJZ-LLVKDONJSA-N	285.727	1.639	10	20	CDCD	
C[C@H](CN(C)C(=O)/C=C/c1ccc(O)c(O)c1)C(=O)O	1589019582	MSVBXEJXCHYEEI-OTQAPUNGSA-N	279.292	1.290	10	20	CDCD	
CC(C)[C@@H](O)CN[C@@H](C)c1cccc(-c2nn[nH]n2)c1O	1589959848	VZLVIDWYGJQTOW-CABZTGNLSA-N	291.355	1.240	10	20	CDCD	
CN1CCCc2cc(CNC(=O)[C@H]3CC[C@H](N)C3)ccc21	166474478	PEKFNGIVTGBTNH-GJZGRUSLSA-N	287.407	1.813	10	20	CDCD	
O=S1CCC(NCc2ccc3c(c2)CCO3)CC1	157957253	DHQNZQCZBJKRTB-UHFFFAOYSA-N	265.378	1.622	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@H]1NCCC1(C)C	852816615	AEQVWHJGEUQFPO-CYBMUJFWSA-N	262.353	1.739	10	20	CDCD	
O=C(N[C@@H]1CCN2CCC[C@@H]2C1)c1cccc(O)c1O	126499182	DLSIPVMDNBRKSP-GHMZBOCLSA-N	276.336	1.454	10	20	CDCD	
CCN(CC)[C@H]1CCN(C(=O)c2cccc(O)c2O)C1	126403102	FWXKZWZZCDMCJP-NSHDSACASA-N	278.352	1.654	10	20	CDCD	
Cc1ccc(O)c([C@@H](C)NC[C@@H]2CN(C)CCN2C)c1	68800931	ROCNVGCTTHTGLE-ZIAGYGMSSA-N	277.412	1.597	10	20	CDCD	
CN(C[C@H]1CCOC1)C(=O)c1cccc(O)c1O	193127589	LRTCSJDXDKBHMW-SECBINFHSA-N	251.282	1.206	10	20	CDCD	
CCc1cccc(CN[C@@H]2CCCN(C)C2=O)c1O	704317250	SYTUICDHDWIFBQ-CYBMUJFWSA-N	262.353	1.665	10	20	CDCD	
CC(=O)NCCN(C)Cc1cc(F)cc(F)c1O	708414316	QRSJPPCWNVNOSU-UHFFFAOYSA-N	258.268	1.238	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@@H]1CC[C@H]1C(=O)O	397050483	KNYSROMFVAXUIR-GHMZBOCLSA-N	263.293	1.461	10	20	CDCD	
O=C(NCc1ccc(N2CCOCC2)cc1)c1ccccn1	54285168	SOWULKARJHNXFU-UHFFFAOYSA-N	297.358	1.848	10	20	CDCD	
COC(=O)CN1CCCN(c2ccc(OC)cc2)CC1	52466366	CFTDBXRODOELIM-UHFFFAOYSA-N	278.352	1.380	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1cnns1	173199414	SHFVVNZGTNQJCR-UHFFFAOYSA-N	290.348	1.643	10	20	CDCD	
CN(C)CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	117974644	JZPLXOYRXAILRZ-CQSZACIVSA-N	292.379	1.461	10	20	CDCD	
COCCN(Cc1cccc(Cl)c1O)[C@H](C)C(N)=O	180072800	TURKWZNKAYYKNP-SECBINFHSA-N	286.759	1.368	10	20	CDCD	
Cc1ccc(C(=O)N(CCCCO)C2CC2)c(O)c1O	182898373	MNZPBKKQTBHCPZ-UHFFFAOYSA-N	279.336	1.783	10	20	CDCD	
COCCCNC(=O)CN(C)Cc1cc(F)ccc1O	179891337	VVEYSZYBZFZPHG-UHFFFAOYSA-N	284.331	1.116	10	20	CDCD	
O=C(O)[C@H]1CCCCN1C(=O)c1cccc(O)c1O	125984646	RUJXNGNVDJJTKC-SECBINFHSA-N	265.265	1.177	10	20	CDCD	
CSC[C@](C)(O)CNCc1ccc(N(C)C)cc1	217853316	OBGCMILZUYSIGM-CQSZACIVSA-N	268.426	1.956	10	20	CDCD	
Cc1ccc(C(=O)NCc2cnn(C)c2C)c(O)c1O	182941013	UIQHMSXUJQYBAX-UHFFFAOYSA-N	275.308	1.378	10	20	CDCD	
C[C@@H](CN1CCN(C)CC1)N[C@@H](C)c1cc(F)ccc1O	185393076	SOROEPVDTRXTOK-STQMWFEESA-N	295.402	1.818	10	20	CDCD	
C[C@H]1OCC[C@@]1(O)CNCc1cc(F)ccc1O	228094851	KLRHJCUOFNMSKH-NOZJJQNGSA-N	255.289	1.161	10	20	CDCD	
COc1ccc(O)c(CN(C)C(C)(C)C(=O)O)c1	86762605	AOGDEEYLMIGLFK-UHFFFAOYSA-N	253.298	1.696	10	20	CDCD	
COC(=O)[C@]1(C)CCN(Cc2cccc(OC)c2O)C1	93813876	BNWNWIQVENNDJZ-OAHLLOKOSA-N	279.336	1.786	10	20	CDCD	
COc1ccc(N2CCN(c3ncc(F)cn3)CC2)cc1	269477752	KRAZQFJHDABVOU-UHFFFAOYSA-N	288.326	1.951	10	20	CDCD	
C[C@H](NCCn1ccnc1)c1cc([N+](=O)[O-])ccc1O	273407042	OQSMHVNPVQJWRD-JTQLQIEISA-N	276.296	1.848	10	20	CDCD	
CS[C@@H](CO)[C@H](C)NC(=O)/C=C/c1ccc(O)c(O)c1	272583206	FDAIUZHWVVOHFY-NRDVOQMSSA-N	297.376	1.340	10	20	CDCD	
Cc1ccc([C@H](C)N[C@H]2CC(=O)N(C)C2)c(O)c1C	273578095	MDVGDMLHNYJAIR-RYUDHWBXSA-N	262.353	1.890	10	20	CDCD	
CS[C@H](CO)[C@H](C)NC(=O)c1c(F)ccc(O)c1O	276590344	MZMSBXGSBWMSGW-IMTBSYHQSA-N	289.328	1.079	10	20	CDCD	
CC[C@@H]1CN(Cc2cc(OC)c(OC)cc2O)C[C@@H]1O	271907412	LUIQTNJOUVZVPH-MFKMUULPSA-N	281.352	1.612	10	20	CDCD	
COc1cccc(CN2C[C@H](C)O[C@@]3(CCOC3)C2)c1O	280310940	PRHCBDQMZGVPFE-LRDDRELGSA-N	293.363	1.781	10	20	CDCD	
COCc1c(C(=O)OCC(=O)C(C)=O)oc2ccccc12	808490031	MQQGFLLKPONXAE-UHFFFAOYSA-N	290.271	1.894	10	20	CDCD	
CC(=O)C(=O)CSc1nnc(-c2ccccc2)o1	808011803	FVDRLLMSWDEVJV-UHFFFAOYSA-N	262.290	1.987	10	20	CDCD	
OC[C@H](CN[C@H]1CCc2cccc(O)c21)[C@@H]1CCOC1	296444664	MUULYGPEWLEGFQ-RDBSUJKOSA-N	277.364	1.614	10	20	CDCD	
CC(=O)C(=O)COC(=O)c1ccc(OC(F)(F)F)cc1	808487744	HANDSTCATQRAPF-UHFFFAOYSA-N	290.193	1.900	10	20	CDCD	
CC[C@H](NCCN1CCNCC1)c1ccc(F)cc1O	817944632	IPGBIGCESCJBHD-AWEZNQCLSA-N	281.375	1.477	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CC1(CN)CC1	817993515	KYXBFLWKQNCADJ-UHFFFAOYSA-N	275.396	1.840	10	20	CDCD	
COc1cc(O)c(CN[C@@H]2C[C@]2(C)OC)cc1OC	827714760	FNRYYBHTFORCMK-KGLIPLIRSA-N	267.325	1.676	10	20	CDCD	
COc1cccc(CNC(=O)C2(C(=O)C3CC3)CC2)c1O	825703162	LFPZUIQQXBWBFT-UHFFFAOYSA-N	289.331	1.776	10	20	CDCD	
O=C(O)[C@@H]1CN(Cc2cc3c(cc2O)CCC3)CCO1	738548538	JJCPPGHZNKHCBC-AWEZNQCLSA-N	277.320	1.166	10	20	CDCD	
COC[C@](C)(CC(=O)O)NCc1ccc2c(c1)CCO2	831577045	AHDQQEPGRNFRCX-HNNXBMFYSA-N	279.336	1.591	10	20	CDCD	
C[C@@H](NC(=O)C[C@H]1CCC(=O)N1)c1ccc(N(C)C)cc1	832431783	UQMVWQXZEFLRBE-DGCLKSJQSA-N	289.379	1.599	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)NCc1ccncn1	838480280	XAMKOFAHPQFQSH-UHFFFAOYSA-N	299.378	1.850	10	20	CDCD	
O=C(O)CN(CCCO)Cc1cc(Cl)ccc1O	739784558	FXNXOZAIBKQWKR-UHFFFAOYSA-N	273.716	1.315	10	20	CDCD	
CCOC(=O)CC(=O)NCc1ccc(N(C)C)cc1C	734468922	VBHRBKUBSAGMNU-UHFFFAOYSA-N	278.352	1.630	10	20	CDCD	
CCCN1CCC[C@H]1C(=O)NCc1ccc(O)cc1O	910951106	BHPNSAWIJWDKMJ-ZDUSSCGKSA-N	278.352	1.588	10	20	CDCD	
CNC(=O)CCCN(C)CCN(C)c1ccc(OC)cc1	847009003	OBVLKLKGBZEZCY-UHFFFAOYSA-N	293.411	1.589	10	20	CDCD	
Cc1cc(O)c(CN[C@@H](CO)[C@@H]2CCCOC2)cc1C	840962611	LPJMVFLHHLYILZ-HIFRSBDPSA-N	279.380	1.886	10	20	CDCD	
Cc1ccc(O)c(CNC[C@@H]2CNCCCO2)c1	841087770	WCVVQRQZIXFKKM-ZDUSSCGKSA-N	250.342	1.169	10	20	CDCD	
CNCCCNC(=O)NCc1c(O)ccc2c1CCCC2	841915111	MUUWDOKISBCTGY-UHFFFAOYSA-N	291.395	1.680	10	20	CDCD	
CCN(C)C(=O)[C@@H](NC(=O)Nc1ccc(N)cc1)C(C)C	841298757	FODLUYYMQBIMEC-ZDUSSCGKSA-N	292.383	1.893	10	20	CDCD	
CCN1C[C@H](CNC(=O)c2cc(O)cs2)CC1=O	846659544	SPSOHVXCFUXTRE-QMMMGPOBSA-N	268.338	1.052	10	20	CDCD	
COC(=O)[C@@H](CC1CC1)NCc1cccc(OC)c1O	840957061	IDPQDOSUEISXAA-GFCCVEGCSA-N	279.336	1.832	10	20	CDCD	
C[C@H]1C[C@@H](N)CCN1Cc1cc2c(cc1O)OCO2	846699523	UCJNJBZCZOAQCY-ONGXEEELSA-N	264.325	1.433	10	20	CDCD	
CN1CCCc2cc(CNC(=O)NCC3CNC3)ccc21	841758745	JYBBSHPYVFGAAY-UHFFFAOYSA-N	288.395	1.088	10	20	CDCD	
CC(C)(C)CCNC(=O)C(=O)Nc1ccc(N)cc1	841010827	IVEKNHOQHODTCO-UHFFFAOYSA-N	263.341	1.760	10	20	CDCD	
C[C@@H](N[C@@H]1CCc2c(nnn2C)C1)c1cc(F)ccc1O	848562497	DTDFSVJMBHREPS-MWLCHTKSSA-N	290.342	1.868	10	20	CDCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C[C@@H](O)[C@@H](C)O	929294348	CLIXTYOBBYLTTA-CZUORRHYSA-N	280.412	1.705	10	20	CDCD	
CON(C)CCN[C@H](C)c1cc([N+](=O)[O-])ccc1O	850479352	QMCGJDYCCQXSAI-SECBINFHSA-N	269.301	1.444	10	20	CDCD	
COc1cnc(C(=O)NCc2cc(Cl)ccc2O)nc1	857548082	CLICRPGRHCNLMQ-UHFFFAOYSA-N	293.710	1.774	10	20	CDCD	
COc1cccc([C@H](C)NCCN2CC[C@H](O)C2)c1O	858601665	IDKNLCPWCLOYET-RYUDHWBXSA-N	280.368	1.118	10	20	CDCD	
CCCCOC(=O)[C@H](C)OC(=O)c1cccc(O)c1O	758582333	RPQQGDMLGGADME-VIFPVBQESA-N	282.292	1.986	10	20	CDCD	
COc1cccc(CNC(=O)N[C@H]2COC[C@@H]2C)c1O	926005238	XKSAAHSPOMXVRN-ONGXEEELSA-N	280.324	1.235	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@@H](C)n2cncn2)c1	862758411	YDYMAJDNCXUUKS-SNVBAGLBSA-N	260.297	1.170	10	20	CDCD	
CO[C@H]1CCCN(Cc2cc3c(cc2O)OC[C@@H]3O)C1	768453621	ZYZZBCKGXMANEI-FZMZJTMJSA-N	279.336	1.429	10	20	CDCD	
CCc1cccc(CN2CCC(CO)(CO)CC2)c1O	877796423	MGZCWPWTJQFYCU-UHFFFAOYSA-N	279.380	1.521	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NCC1(O)CCC1	779486638	XKISALQBSZEGPT-HWKANZROSA-N	263.293	1.142	10	20	CDCD	
CC(=O)C1=NN(c2ccc(OC(F)F)cc2)C(=O)C1	871949668	ITOMYAOBZIPRHY-UHFFFAOYSA-N	268.219	1.970	10	20	CDCD	
C[C@@H](CNCc1cc(F)cc(F)c1O)N1CCN(C)CC1	882984434	HSSQOIADSPEJOK-NSHDSACASA-N	299.365	1.396	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)C(F)F	787402296	HQGJIEDPVKTHGB-UHFFFAOYSA-N	256.252	1.743	10	20	CDCD	
CNC(=O)CCCC(=O)N[C@@H](C)c1ccc(N(C)C)cc1	781035431	CZIRVWUQDFPJOB-LBPRGKRZSA-N	291.395	1.846	10	20	CDCD	
COc1cc(C)cc(CNC[C@H](CO)[C@@H]2CCOC2)c1O	894643678	RYYIWVKPUVDHCM-TZMCWYRMSA-N	295.379	1.444	10	20	CDCD	
Cc1nc(C(=O)N(C)Cc2ccccc2O)n(C)n1	791426310	UABJNUUDQTWYKO-UHFFFAOYSA-N	260.297	1.101	10	20	CDCD	
COc1ccc(CNC(=O)CCOC(C)C)c(O)c1	794378102	CHKWEHGOQIDZCT-UHFFFAOYSA-N	267.325	1.832	10	20	CDCD	
NC[C@H]1CN(Cc2c(O)cccc2Cl)CCO1	164675564	YMWVKFUTNNLYOQ-VIFPVBQESA-N	256.733	1.205	10	20	CDCD	
O=C(NCc1ccccc1O)C1(O)Cc2ccccc2C1	1319456317	RRXYFVDYHCZMSC-UHFFFAOYSA-N	283.327	1.538	10	20	CDCD	
CC(C)(O)[C@@H]1CCCN1C(=O)c1cccc(O)c1O	185877082	OKHVVAZWWXBTNA-NSHDSACASA-N	265.309	1.473	10	20	CDCD	
CC(=O)N[C@@H](CC(C)C)C(=O)Nc1ccc(N)cc1	704383030	DHAJPPASROOZRH-ZDUSSCGKSA-N	263.341	1.758	10	20	CDCD	
CCc1cccc(CNCC[S@](=O)CC)c1O	691521282	IKOXGDNECKCNCL-QGZVFWFLSA-N	255.383	1.813	10	20	CDCD	
CNC(=O)CN(C)Cc1c(O)cccc1Br	707141542	DUVOMSPIWPEQMH-UHFFFAOYSA-N	287.157	1.333	10	20	CDCD	
Nc1ccc(CNC(=O)NC2CC3(CC(N)C3)C2)cc1	1335724090	GBDOHIAWJRQWQH-UHFFFAOYSA-N	274.368	1.338	10	20	CDCD	
CC[C@]1(C)CN(C(=O)NCc2ccc(N)cc2)CCO1	1336291084	YVRAODDZNMKFIC-OAHLLOKOSA-N	277.368	1.979	10	20	CDCD	
Nc1ccc(CN(CCN2CCOCC2)CC2CC2)cc1	1337838174	JNSWOORMWVFURG-UHFFFAOYSA-N	289.423	1.813	10	20	CDCD	
COC[C@](C)(O)CNCc1cc(Cl)ccc1O	69912204	OYEKGOFFERAOIY-GFCCVEGCSA-N	259.733	1.533	10	20	CDCD	
C[C@@H](O)[C@H](NCc1ccc(N2CCCCC2)cc1)C(=O)O	1339254525	NMNMAPIIDICFCP-DOMZBBRYSA-N	292.379	1.601	10	20	CDCD	
Cn1ccc(N2CCC[C@H](NCc3ccc(N)cc3)C2=O)n1	1262488332	YRLAVNYMWAGRCW-AWEZNQCLSA-N	299.378	1.288	10	20	CDCD	
C[C@H](CCC(=O)O)CNCc1cc([N+](=O)[O-])ccc1O	1343648259	NFUQAEQNINJVJO-SECBINFHSA-N	282.296	1.891	10	20	CDCD	
Cn1cnc(/C=C\C(=O)N2C[C@H](CCN)c3ccccc32)c1	1263173488	CGLDVZOOUVGBES-FWWRYZNZSA-N	296.374	1.913	10	20	CDCD	
CN(C)C(=O)O[C@H]1CCN(C(=O)c2cc(O)cs2)C1	1347774529	CVNFCPVRHOQQRO-VIFPVBQESA-N	284.337	1.366	10	20	CDCD	
C[C@@H]1CC[C@@H](C)N1CC(=O)NCc1cccc(O)c1O	1352658345	SVBXCHUSOXKTSA-GHMZBOCLSA-N	278.352	1.587	10	20	CDCD	
Cc1cc(O)c(CN2CCC[C@H](O)[C@@H]2C(=O)O)cc1C	1607700314	VPSLZVJRULIJHL-GXTWGEPZSA-N	279.336	1.419	10	20	CDCD	
Nc1ccc(CN[C@H](C[C@@H]2CCCO2)C(=O)O)cc1	1601216124	OSWVESUUPHRMBA-QWHCGFSZSA-N	264.325	1.381	10	20	CDCD	
O=C(O)[C@]1(F)CCN(Cc2cc(F)ccc2O)C1	1601716786	HBROMEYGVPGNAB-LBPRGKRZSA-N	257.236	1.530	10	20	CDCD	
C[C@@H](NCc1cccc(Cl)c1O)[C@H]1CNCCO1	1573578683	KNWYUNIJRSASEP-BXKDBHETSA-N	270.760	1.512	10	20	CDCD	
O=C(CC1CCNCC1)NCc1c(O)cccc1O	1580511418	SJEAWBJEFWPTPR-UHFFFAOYSA-N	264.325	1.104	10	20	CDCD	
COc1cccc(O)c1CN1CCOC[C@@H]1CC(=O)O	1599680254	IKGVTDDTKWGIOY-JTQLQIEISA-N	281.308	1.076	10	20	CDCD	
Cn1cnnc1NCc1ccc(N2CCOCC2)cc1	162074798	YLPQVQJSNJAKHZ-UHFFFAOYSA-N	273.340	1.264	10	20	CDCD	
C[C@@H]([C@@H](C)NC(=O)Cc1ccc(N)cc1)N1CCOCC1	167685960	COKJNBDZOAWSER-OLZOCXBDSA-N	291.395	1.037	10	20	CDCD	
CCOc1ccc(O)c(CN2CCN(C(C)=O)CC2)c1	157866206	OSXFOMMNDAKUCM-UHFFFAOYSA-N	278.352	1.455	10	20	CDCD	
Cc1ccc(O)c(CN2CCN3C(=O)CC[C@H]3C2)c1	211599239	BLKTWVAROCULQZ-ZDUSSCGKSA-N	260.337	1.507	10	20	CDCD	
CO[C@@H]1C[C@H](NC(=O)Cc2ccc(N)cc2)C1(C)C	226379998	NVMFPIIKHPVFDG-QWHCGFSZSA-N	262.353	1.741	10	20	CDCD	
C[C@@H]1C[C@H](CNC(=O)Cc2ccc(N)cc2)CCO1	389140429	YCXMKGBUHFRBAC-DGCLKSJQSA-N	262.353	1.743	10	20	CDCD	
CN1CCCc2cc(CNC(=O)[C@H]3CCOC3)ccc21	58770028	OXNIMEBKOPYJKN-AWEZNQCLSA-N	274.364	1.722	10	20	CDCD	
CCN(CC(=O)NC)Cc1cccc(Cl)c1O	124533527	DZXZPNPHGCPUBO-UHFFFAOYSA-N	256.733	1.614	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2CCO)c(O)c1O	187839886	HOZZRHICZRWUEX-ZYHUDNBSSA-N	279.336	1.687	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@H]1C[C@@]12CCOC2	368092769	LVEOBGBGIHDNOP-IUODEOHRSA-N	261.321	1.777	10	20	CDCD	
Cc1nnc(C(=O)NCCc2ccc(O)c(O)c2)s1	183335080	QVIQQSWLQYNVDQ-UHFFFAOYSA-N	279.321	1.230	10	20	CDCD	
C[C@H](N)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1	132916157	SRNXTRLRFBMDRI-NSHDSACASA-N	295.358	1.016	10	20	CDCD	
CCC(=O)N1CCN(c2ccc(OC)c(F)c2)CC1	84815012	XFFMESKGUFFIFS-UHFFFAOYSA-N	266.316	1.893	10	20	CDCD	
C[C@@H]1CCN(Cc2ccc(N(C)C)cc2)CCS1(=O)=O	192048068	KCIRTXNGBMVADG-CYBMUJFWSA-N	296.436	1.762	10	20	CDCD	
OCCN(Cc1cc2c(cc1O)OCO2)CC(F)F	193026235	IDHSEMRVYBIIIX-UHFFFAOYSA-N	275.251	1.180	10	20	CDCD	
CCOc1ccc(O)c(CNC[C@H]2CCCN2C)c1	237048824	LFXMGXJHVVVFLL-CYBMUJFWSA-N	264.369	1.975	10	20	CDCD	
CC[C@H](NC[C@H]1COCCN1)c1ccccc1O	530227799	VWEMXEUIVAHANG-AAEUAGOBSA-N	250.342	1.421	10	20	CDCD	
Nc1ccc(CCNC(=O)[C@@H]2CCC[C@H](N)C2)cc1	262569854	BUHLOYVYBGMUCU-OCCSQVGLSA-N	261.369	1.445	10	20	CDCD	
COc1ccc(O)c(CN2CC[C@@H](C)[S@](=O)CC2)c1	277306805	BDFDKWJKKONMLI-NSPYISDASA-N	283.393	1.744	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cnns1	273174093	MUULWNAGQAEBPB-SSDOTTSWSA-N	279.321	1.310	10	20	CDCD	
Oc1ccc(F)cc1CN1CCOC[C@@H]1c1ncon1	369841351	QHRBPQBFISYZEA-LLVKDONJSA-N	279.271	1.488	10	20	CDCD	
C[C@H](N[C@H](CO)c1cnn(C)c1)c1ccc(F)c(F)c1O	276885450	GQENYVDEKDBZGY-QPUJVOFHSA-N	297.305	1.788	10	20	CDCD	
CCCC1(CCC)NC(=O)N(CC(=O)C(C)=O)C1=O	288782816	FGOUBPGNSAHYRA-UHFFFAOYSA-N	268.313	1.035	10	20	CDCD	
CC(C)(C)[C@H](NC(N)=O)C(=O)NCc1ccccc1O	283416136	LXPHMCOLUSALKT-LLVKDONJSA-N	279.340	1.091	10	20	CDCD	
Cc1cc(CN(C)CCN2CCOCC2)ccc1N(C)C	293221234	VOGYODPSRMWCHX-UHFFFAOYSA-N	291.439	1.825	10	20	CDCD	
CSc1nnc(CNC(=O)c2cc(O)cs2)s1	802609192	RKAXWEJWXBZVKH-UHFFFAOYSA-N	287.391	1.957	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@@H](n2cccn2)C1	298386166	VTZZMMQKEDUWIB-MASHWEEQSA-N	299.330	1.781	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CCC(=O)C1	648803237	HGHUOQOGNLAVKD-LLVKDONJSA-N	288.347	1.847	10	20	CDCD	
Cc1cc(CN(C)[C@]2(CO)CCOC2)ccc1N(C)C	815086497	KVBVGTDIEGGLCO-INIZCTEOSA-N	278.396	1.644	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@@H]1CCc2cncn2C1	816889316	UFJVAAXAYIHUFY-CYBMUJFWSA-N	285.347	1.810	10	20	CDCD	
CCOc1ccc(CN2CC(=O)N[C@H](C)C2)c(O)c1	824910241	UCXRSPYNWVELQY-SNVBAGLBSA-N	264.325	1.111	10	20	CDCD	
COc1ccc(N2CCCN(Cc3cnn[nH]3)CC2)cc1	827467624	CMHAOVYZTPSDHV-UHFFFAOYSA-N	287.367	1.526	10	20	CDCD	
Cc1cccc(CN2CCC(O)(CO)CC2)c1O	827146585	GTDLHBXPUPSALE-UHFFFAOYSA-N	251.326	1.020	10	20	CDCD	
CC(=O)N[C@](C)(C(=O)NCc1ccc(O)cc1O)C(C)C	822971674	HSKVZHSALYFKKE-HNNXBMFYSA-N	294.351	1.265	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)CCC(N)=O)cc1F	906627746	KXLSFGQVXZLNIM-UHFFFAOYSA-N	295.358	1.554	10	20	CDCD	
Cc1ncc(C(=O)NC[C@H](N)c2ccc(N(C)C)cc2)[nH]1	832274042	RIDXQQDVVFVLMW-ZDUSSCGKSA-N	287.367	1.214	10	20	CDCD	
COC(=O)[C@@H](NC(=O)CSc1nccs1)C(C)C	917569990	BLNSTKIKIHAZLE-VIFPVBQESA-N	288.394	1.549	10	20	CDCD	
C[C@@H]1NC(=O)[C@H](C)N(C(=O)c2cc(O)cs2)[C@@H]1C	911803027	MQQLXRJNIMGNSI-RNJXMRFFSA-N	268.338	1.191	10	20	CDCD	
COc1cc(O)c(CN2CCC[C@H]([C@@H](C)N)C2)cc1OC	843052038	OYTSXZRJJGUCOF-NEPJUHHUSA-N	294.395	1.969	10	20	CDCD	
NC[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)C1CC1	841028588	PXOWFUFIJCVUQY-OAHLLOKOSA-N	293.386	1.489	10	20	CDCD	
CNCCCNCc1ccc([N+](=O)[O-])c(OC)c1O	841041493	IODVNXZELMDXKM-UHFFFAOYSA-N	269.301	1.008	10	20	CDCD	
COc1ccc(O)c(CNC(=O)C[C@H](C)CC(=O)O)c1	911387770	UAPZCTFHFGCYFA-VIFPVBQESA-N	281.308	1.518	10	20	CDCD	
COCCN(CCO)Cc1ccc(N(C)C)cc1C	840913902	LPVQTWUVXIRPME-UHFFFAOYSA-N	266.385	1.502	10	20	CDCD	
CCc1cccc(CNC[C@@H](O)c2cnn(C)c2)c1O	848897609	KBQPENUTVUCGCQ-CQSZACIVSA-N	275.352	1.511	10	20	CDCD	
C[C@@H](O)CNCc1ccc(N2CCC(CO)CC2)cc1	843066387	WDKKLTDKUYXEAR-CYBMUJFWSA-N	278.396	1.366	10	20	CDCD	
Oc1ccc(Cl)c(F)c1CN1CCCNCC1	843045128	LRWRELWJGFPBHJ-UHFFFAOYSA-N	258.724	1.980	10	20	CDCD	
Cc1cc(C(=O)N[C@@]2(C)CCNC2)c(C)n1-c1ccccn1	852927416	HCRSUPHQACTYSV-KRWDZBQOSA-N	298.390	1.971	10	20	CDCD	
OC/C=C/CNCc1ccc(N2CCOCC2)c(F)c1	850357530	MNWNTBUXPVNZOR-OWOJBTEDSA-N	280.343	1.300	10	20	CDCD	
C[C@H](NCCN1CC[C@H](O)C1)c1ccc(F)cc1O	858601915	MHPZTFQPPDFMJN-JQWIXIFHSA-N	268.332	1.249	10	20	CDCD	
Cc1cc(C)c(O)c(CN(C)C[C@H]2COCCO2)c1	853558323	HJEDFEMDHVXZGM-AWEZNQCLSA-N	265.353	1.856	10	20	CDCD	
CCCNC(=O)COC(=O)c1ccc(C)c(O)c1O	750619510	QGBZVNZTXABYHA-UHFFFAOYSA-N	267.281	1.089	10	20	CDCD	
COc1ccc(O)c(CNCC[C@H](C)N(C)C)c1	697878056	IFODQBFYSHNGTR-NSHDSACASA-N	252.358	1.831	10	20	CDCD	
CCCC[C@@H](NC(=O)c1cc(O)cs1)C(=O)OC	761176636	KKFUAXZCTNFKJC-SECBINFHSA-N	271.338	1.915	10	20	CDCD	
C[C@@H]1[C@H](O)CCN1Cc1cc(F)c(N(C)C)cc1F	862388208	XYXKOKJXIDLECG-YMTOWFKASA-N	270.323	1.986	10	20	CDCD	
CCO[C@@H]1COCC[C@H]1NC(=O)c1cc(O)cs1	760448893	OWKXINMEDFWBFG-NXEZZACHSA-N	271.338	1.378	10	20	CDCD	
COc1ccc(O)c(CNC(=O)NC[C@H]2CC(C)=NO2)c1	875973757	JIEPIZZUYNXRAT-GFCCVEGCSA-N	293.323	1.365	10	20	CDCD	
COc1ccc(CN[C@H]2CCOC2)cc1Cn1cccn1	873095078	RCWHBHSVALVXBY-HNNXBMFYSA-N	287.363	1.819	10	20	CDCD	
CN(C(=O)[C@@H]1CC12CCNCC2)c1ccc(N)cc1	877077436	ICVMPXXQPDLGHD-ZDUSSCGKSA-N	259.353	1.621	10	20	CDCD	
C[C@H](NC(=O)N(C)[C@H](C)CO)c1ccc(N(C)C)cc1	776240877	XLWDQQFMIQQQBF-NEPJUHHUSA-N	279.384	1.836	10	20	CDCD	
C[C@@H](NC(=O)N[C@H]1C[C@@H](CO)C1)c1ccc(N(C)C)cc1	875507418	DUEPRANHYCLSTM-BZPMIXESSA-N	291.395	1.884	10	20	CDCD	
CCOc1cccc(CN(C)CCNC(=O)N(C)C)c1O	779431683	BAOPCMOPAUKUND-UHFFFAOYSA-N	295.383	1.494	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H](CO)CC2CC2)c1O	775035187	WOEQYJCDNFRXOC-LLVKDONJSA-N	296.323	1.560	10	20	CDCD	
Cc1ccc(C(=O)Nc2cc(C(N)=O)n(C)c2)c(O)c1O	780971329	UPPHEECYSYJRJC-UHFFFAOYSA-N	289.291	1.096	10	20	CDCD	
O=S(=O)(C[C@@H]1CCCOC1)Nc1ccc(O)cc1	788140139	VASZXSCLFLRLBR-SNVBAGLBSA-N	271.338	1.561	10	20	CDCD	
CC1(C)CNC(=O)[C@@H]1NCc1cc(F)cc(F)c1O	895325394	PRDKDNYAZZKJAR-NSHDSACASA-N	270.279	1.285	10	20	CDCD	
CCOc1ccc(CN2CC[C@H](C3OCCO3)C2)c(O)c1	896386324	ZBRXGFDEXJYGBY-ZDUSSCGKSA-N	293.363	1.986	10	20	CDCD	
COc1cc(C)cc(CNC[C@H](C)S(C)(=O)=O)c1O	894361590	KDEYXAZYDQOVCG-JTQLQIEISA-N	287.381	1.232	10	20	CDCD	
COC(=O)[C@@](C)(CO)NCc1cc(Cl)cc(F)c1O	894974684	FXGQBNLZVICBRH-GFCCVEGCSA-N	291.706	1.198	10	20	CDCD	
COc1ccc(CNC(=O)[C@@H](C(C)C)N(C)C)c(O)c1	794378004	SJMQIAPBHIFTLO-CQSZACIVSA-N	280.368	1.603	10	20	CDCD	
Cc1ccc(C(=O)NC[C@@H]2CCOC2)c(O)c1O	1323345393	DSHHZUBULTVJMD-VIFPVBQESA-N	251.282	1.173	10	20	CDCD	
COc1cccc(O)c1CN1CCn2cncc2C1	1323979391	SGHOJJAVMXIZAE-UHFFFAOYSA-N	259.309	1.613	10	20	CDCD	
COC(=O)NC1CN(Cc2ccc(N(C)C)c(F)c2)C1	1326796576	HYWMVUJISZUOGR-UHFFFAOYSA-N	281.331	1.432	10	20	CDCD	
Cc1cccc(CNC2COC(C)(C)OC2)c1O	758011805	FHYCXEVBUVGKAP-UHFFFAOYSA-N	251.326	1.942	10	20	CDCD	
CN(C)CCN(C(=O)C1=CCCNCC1)c1ccccc1	1340840377	XRTWIRLZWFPTMV-UHFFFAOYSA-N	287.407	1.891	10	20	CDCD	
C[C@@H](N[C@@H]1CCOC1)c1cc(C(=O)O)ccc1O	1609786926	RQJKIXVKJOHOLA-PSASIEDQSA-N	251.282	1.530	10	20	CDCD	
Cc1ccc(C(=O)NCc2ccc(CN)cc2)c(O)c1O	1579663952	RIFRKHURYSTZDP-UHFFFAOYSA-N	286.331	1.795	10	20	CDCD	
Cc1ccc(C(=O)N2CCC[C@H]2CO)c(O)c1O	153963781	NAHIKEHZBOTTQD-VIFPVBQESA-N	251.282	1.003	10	20	CDCD	
Nc1ccc(NC(=O)[C@H]2CCn3ccnc3C2)cc1	857845218	ZXZOHYIKFLWJFZ-JTQLQIEISA-N	256.309	1.666	10	20	CDCD	
CCOc1cccc(CN2CC[C@@H]([C@@H](C)N)C2)c1O	126851518	RTAFIZSKVRCCAS-VXGBXAGGSA-N	264.369	1.960	10	20	CDCD	
CN1CCC[C@H](CNCc2cc3c(cc2O)OCO3)C1	44532666	JZKGXGUXBNEEEA-LLVKDONJSA-N	278.352	1.552	10	20	CDCD	
CNC(=O)CN(Cc1ccccc1O)C[C@H]1CCCO1	96970994	LQXLJPRUMYZXSJ-CYBMUJFWSA-N	278.352	1.119	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@H]2CC[C@@H]2C(=O)O)cc1	397109777	SIEPJXBHVABWQM-OLZOCXBDSA-N	276.336	1.480	10	20	CDCD	
CC[C@@H](CO)NCc1cc(Cl)cc([N+](=O)[O-])c1O	186527233	VJJISZJJRVTQLR-VIFPVBQESA-N	274.704	1.814	10	20	CDCD	
CC[C@@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)CCO1	180906600	YFKBCJHCBNCQAJ-FVOPLDGLSA-N	277.320	1.748	10	20	CDCD	
C[C@@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)CCCO1	181024105	VLWVGICXRRWYSE-DUMNWFOQSA-N	277.320	1.748	10	20	CDCD	
Cc1ccn(C)c1C(=O)NCCc1ccc(O)c(O)c1	190194236	AUPHSSVDWCARTA-UHFFFAOYSA-N	274.320	1.717	10	20	CDCD	
CCOc1cccc(CNCc2nc(N(C)C)no2)c1O	191899929	MGDXLGAOFBIVIV-UHFFFAOYSA-N	292.339	1.530	10	20	CDCD	
COCCN(C)CCNCc1c(O)cccc1Cl	83552358	KYXRNOFFACGJIW-UHFFFAOYSA-N	272.776	1.713	10	20	CDCD	
Oc1cccc2c1[C@@H](NC[C@H](O)C(F)(F)F)CC2	295778150	ARMIHTQVEFOXOY-WPRPVWTQSA-N	261.243	1.892	10	20	CDCD	
COc1cccc(CN(C)C[C@H]2CCN(C(C)=O)C2)c1O	92101331	GHNVIBXVASYZTH-CYBMUJFWSA-N	292.379	1.701	10	20	CDCD	
Cc1cc(NS(=O)(=O)c2cn[nH]c2)ccc1O	148641153	JAYAFJWCRUCURB-UHFFFAOYSA-N	253.283	1.225	10	20	CDCD	
Nc1ccc(CCNC(=O)CCOC2CCOCC2)cc1	238123773	ZZYXOQPYINXDOK-UHFFFAOYSA-N	292.379	1.513	10	20	CDCD	
COc1ccc(N(C)CCn2cncn2)c(OC)c1	269795060	HMQIHZZFTHCHFE-UHFFFAOYSA-N	262.313	1.432	10	20	CDCD	
CS(=O)(=O)C1(C(=O)Nc2ccc(N)cc2)CCCC1	269124366	LGBIXVHTYUNVGO-UHFFFAOYSA-N	282.365	1.565	10	20	CDCD	
COc1cccc(CN2CCOC[C@@H]2c2ncon2)c1O	360025806	ZZJFBQCUWCHXDR-LLVKDONJSA-N	291.307	1.357	10	20	CDCD	
CC1(C)OCC(C)(C(=O)NCc2ccc(O)c(O)c2)CO1	272382377	WHNLAVXBBATAAK-UHFFFAOYSA-N	295.335	1.503	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1cnn(C)c1	274903544	HBGHXYZMYGAALT-SNVBAGLBSA-N	289.335	1.121	10	20	CDCD	
O=C1N[C@H]2CCN(Cc3cccc(Cl)c3O)C[C@@H]2CO1	281342301	SSTDSBFPNJJEMC-PWSUYJOCSA-N	296.754	1.976	10	20	CDCD	
C[C@@H](CN(C)C)NC(=O)/C=C/c1ccc(O)c(O)c1	286883013	FJNMPCKARZLRBC-STUBTGCMSA-N	264.325	1.177	10	20	CDCD	
CN(C[C@H]1CCCS(=O)(=O)C1)c1ccc2c(c1)OCO2	284074737	LACBGAVPXNAGTE-LLVKDONJSA-N	297.376	1.676	10	20	CDCD	
C[C@H](NCC1(OCCO)CCOCC1)c1ccccc1O	282476832	GVNIAPQUNPFIRT-ZDUSSCGKSA-N	295.379	1.601	10	20	CDCD	
CN1CCC(NC(=O)NCc2ccccc2O)CC1	299492093	JRKPBPVKWSNQIP-UHFFFAOYSA-N	263.341	1.286	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@H]2CCCN2C)cc1	299492062	GHSDICXUIBCEEC-CQSZACIVSA-N	261.369	1.463	10	20	CDCD	
CCN(C)c1ccc([C@H](C)N[C@@H]2COC[C@H]2O)cc1	296044861	USIDXHGKFDBKAN-NILFDRSVSA-N	264.369	1.553	10	20	CDCD	
CC(=O)C(=O)CS(=O)(=O)c1cc(F)c(C)cc1F	292666985	DILIMBMEYCWBCG-UHFFFAOYSA-N	276.260	1.205	10	20	CDCD	
COC(=O)[C@H]1C[C@@H](NCc2cc(F)ccc2O)C1	827500887	NBBUZQNSELQCGD-DKTWLAJQSA-N	253.273	1.573	10	20	CDCD	
CC1(C)CN(C(=O)c2c(F)ccc(O)c2O)CCCO1	825899521	RAKMTWXUGUAOFV-UHFFFAOYSA-N	283.299	1.878	10	20	CDCD	
CN(CCCO)Cc1ccc(Br)cc1O	825773515	IWBABTNTOBAKKQ-UHFFFAOYSA-N	274.158	1.969	10	20	CDCD	
CC(C)C[C@H](CO)NC(=O)/C=C\c1ccc(O)c(O)c1	588408576	HCQZMEIFMJFVIC-TXNVCOODSA-N	279.336	1.634	10	20	CDCD	
C[C@@H](C(=O)NCCc1ccc(O)c(O)c1)c1cnccn1	907057110	NQVGXUVPUZUCNA-SNVBAGLBSA-N	287.319	1.350	10	20	CDCD	
O=C(CCCn1ccccc1=O)NCc1ccccc1O	735115445	HFTNEPGNDLNSRA-UHFFFAOYSA-N	286.331	1.651	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@H]2[C@H]3CCC(=O)[C@H]32)cc1F	906454834	SCJNFXMOWQLESD-NZVBXONLSA-N	290.338	1.733	10	20	CDCD	
CC(C)n1ccc(C(=O)NCc2ccc(O)cc2O)n1	910951275	QPXQPMCEBSSOII-UHFFFAOYSA-N	275.308	1.805	10	20	CDCD	
C[C@H](O)C[C@H](C)NC(=O)NCCc1ccc(N)cc1	841960317	MFRIIVGZGJSGPT-QWRGUYRKSA-N	265.357	1.270	10	20	CDCD	
CNC(=O)CCN(C)CCN(C)c1ccc(OC)cc1	844398713	AAWIVNUJBVQJJV-UHFFFAOYSA-N	279.384	1.199	10	20	CDCD	
COC/C(C)=C\C(=O)OCC(=O)c1ccc(O)c(O)c1	845245345	KTNYVTUPAMKFHR-UITAMQMPSA-N	280.276	1.416	10	20	CDCD	
COc1cccc([C@@H](C)NCCC(=O)NC(C)C)c1O	846139761	ZCRVERKEVHNGCX-LLVKDONJSA-N	280.368	1.966	10	20	CDCD	
CN1CC[C@@H](C(=O)NCc2cc(Cl)ccc2O)C1=O	846474606	WJKFEBZTCOCYDB-JTQLQIEISA-N	282.727	1.140	10	20	CDCD	
Cc1ccc([C@H](C)NCCN2CC[C@H](O)C2)c(O)c1C	858601662	IDIZMRRPZUUKSW-KBPBESRZSA-N	278.396	1.726	10	20	CDCD	
CCc1nncn1CCN[C@@H](C)c1cc(OC)ccc1O	756618566	CQBAVLLHCJPMKO-NSHDSACASA-N	290.367	1.906	10	20	CDCD	
Cc1cc(C)c(O)c(CN(C)[C@@H]2CCN(C)C2=O)c1	754742741	YRRZAROOCNGVDJ-CYBMUJFWSA-N	262.353	1.672	10	20	CDCD	
COc1ccc(CNC(=O)[C@@H]2CCC[C@@H]2N)c(O)c1	852824972	DWDLTAHRWWHHMF-NEPJUHHUSA-N	264.325	1.144	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)C2(N(C)C)CCC2)c1	862756207	TYOHXCLPKIDIIF-UHFFFAOYSA-N	262.353	1.801	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N1N[C@H]2CC[C@H]1C2	862912419	OOOKZLASGQKDMY-ZCWDBRCYSA-N	260.293	1.379	10	20	CDCD	
CC1(C)[C@@H]2CN(Cc3cc4c(cc3O)OC[C@H]4O)C[C@H]21	768466521	RDTDHPJYHZSPCV-YRGRVCCFSA-N	275.348	1.906	10	20	CDCD	
CN(C)CC1(O)CCN(Cc2ccc(N(C)C)cc2)CC1	931482561	XMGFNJXEAVAZCT-UHFFFAOYSA-N	291.439	1.641	10	20	CDCD	
CNC[C@@H](C)CN[C@@H](C)c1cc(OC)ccc1O	1118060194	XOIFDCFVZKGAPS-MNOVXSKESA-N	252.358	1.907	10	20	CDCD	
CCNC(=O)N1CC[C@H](NCc2ccc(C)cc2O)C1	877083961	CGHJWGSNJGVSNW-ZDUSSCGKSA-N	277.368	1.594	10	20	CDCD	
CC(=O)c1cc(F)cc(CN[C@H](CO)C2CC2)c1O	771812362	HPGGZNUOJPYQEE-CYBMUJFWSA-N	267.300	1.594	10	20	CDCD	
CC(C)[C@](C)(O)C(=O)NCc1ccc(N(C)C)c(F)c1	771297645	XXSUZOODRZVEGU-HNNXBMFYSA-N	282.359	1.915	10	20	CDCD	
CC[C@H](CN1CCOCC1)NCc1c(C)cccc1O	896618230	NVVAJZNMLIVARY-CQSZACIVSA-N	278.396	1.901	10	20	CDCD	
CC[C@H]1CN(Cc2cc(C)cc(OC)c2O)C[C@@H]1O	894094704	LTXMJYVAZAOOJZ-AAEUAGOBSA-N	265.353	1.912	10	20	CDCD	
C[C@H](O)CCCOC(=O)/C=C\c1ccc(O)c(O)c1	795562321	SLFRHJJTHBZWJO-BXKUYDPTSA-N	266.293	1.815	10	20	CDCD	
CCOc1ccc(O)c(CN2CC(N3CCCC3=O)C2)c1	897786390	NWEUZUGIMOERSX-UHFFFAOYSA-N	290.363	1.598	10	20	CDCD	
CSc1cc(O)ccc1NS(=O)(=O)c1cn(C)cn1	792702602	BAAALBPZWBXWTP-UHFFFAOYSA-N	299.377	1.648	10	20	CDCD	
COC[C@H](C)CC(=O)NCc1ccc(OC)cc1O	794381854	VDISTBYQLVAAFI-SNVBAGLBSA-N	267.325	1.690	10	20	CDCD	
COC[C@H](C)S(=O)(=O)N[C@H](C)c1ccccc1O	867834455	OSHQOWGGHOIAAR-VHSXEESVSA-N	273.354	1.408	10	20	CDCD	
COc1ccc(O)c([C@H](C)NCC2(C)OCCO2)c1	186211681	XSIPPWRIAQPBAA-JTQLQIEISA-N	267.325	1.814	10	20	CDCD	
O=C(NC[C@@H]1CCN(C2CC2)C1)c1cccc(O)c1O	192984708	FXYMCYRORFQOAT-JTQLQIEISA-N	276.336	1.312	10	20	CDCD	
Nc1ccc(CNC(=O)N2CC[C@@H](n3cccn3)C2)cc1	1337070021	GHUVSFCZRDBDPJ-CQSZACIVSA-N	285.351	1.622	10	20	CDCD	
C[C@@H]1CCC[C@]1(O)CNC(=O)NCc1ccc(N)cc1	1338792445	GPKALRIUXJKNPR-ABAIWWIYSA-N	277.368	1.619	10	20	CDCD	
C[C@@H](CN1CCOCC1)N[C@@H](C)c1cc(F)ccc1O	94617173	WNLOJQUVGCCFKQ-RYUDHWBXSA-N	282.359	1.903	10	20	CDCD	
C[C@H](CC(=O)NCc1cccc(O)c1O)n1cccn1	1263894725	SSCPUENADRJUSX-SNVBAGLBSA-N	275.308	1.562	10	20	CDCD	
COCCN(CC(F)F)C(=O)NCc1ccc(N)cc1	1262603579	NJEHLPCBPKANJC-UHFFFAOYSA-N	287.310	1.692	10	20	CDCD	
O=C(NCc1cccc(O)c1O)[C@@H]1CCSC1	1347234458	OCYCOLPZWBKDBK-SECBINFHSA-N	253.323	1.467	10	20	CDCD	
C[C@@H](C[S@](C)=O)NCc1cc(F)c(N(C)C)cc1F	1351507538	MILGLVHJHBOUBY-UGZDLDLSSA-N	290.379	1.887	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)c1cc(C(=O)O)ccn1	1606170240	YCPVIEADBQHRDD-UHFFFAOYSA-N	286.287	1.758	10	20	CDCD	
O=C(O)[C@H]1CNCCCN1Cc1cc(Cl)ccc1O	1601852332	FHTUAYMUVJKRBO-LLVKDONJSA-N	284.743	1.294	10	20	CDCD	
O=C(O)C1CC2(CC[C@H](CNCc3ccccc3O)O2)C1	1605987548	KKUJHWUKWPMMBE-MFOWVQHXSA-N	291.347	1.894	10	20	CDCD	
O=C(O)Cn1cc(NCc2cccc(F)c2O)cn1	1574745070	HQHXYXLBDBMQAL-UHFFFAOYSA-N	265.244	1.425	10	20	CDCD	
CON(C)C(=O)[C@@H](C)N[C@@H](C)c1cc(C(=O)O)ccc1O	1599315112	MNLZJJMQVZWLBY-DTWKUNHWSA-N	296.323	1.149	10	20	CDCD	
C[C@@H](N[C@H](CO)CC(F)F)c1cc(C(=O)O)ccc1O	1593211220	VWBNJLPXSSEPFJ-APPZFPTMSA-N	289.278	1.757	10	20	CDCD	
CN(C)[C@H](CNC(=O)Cc1ccc(N)cc1)C1CC1	165603850	HTTFBHKXJAAULY-CQSZACIVSA-N	261.369	1.268	10	20	CDCD	
COc1ccc(N(C)CCOC(=O)N(C)C)c(OC)c1	159476880	ZXIRGVGCIAYQRU-UHFFFAOYSA-N	282.340	1.838	10	20	CDCD	
CO[C@H]1CCN(Cc2cc3c(cc2O)OCO3)C[C@@H]1C	824815656	WABLXNQKVJMWJI-GWCFXTLKSA-N	279.336	1.978	10	20	CDCD	
CCn1cc(CNC(=O)Nc2ccc(N)cc2)nn1	404421615	CEIPUGMGLWTNMA-UHFFFAOYSA-N	260.301	1.202	10	20	CDCD	
CCNC(=O)C(C)(C)NCc1ccc2c(c1)CCO2	312883973	HTRURZQPGJMLLQ-UHFFFAOYSA-N	262.353	1.626	10	20	CDCD	
O=S(=O)(Nc1ccc(O)cc1F)c1cncc(F)c1	85203931	KDJSYKKRXDPLIE-UHFFFAOYSA-N	286.259	1.866	10	20	CDCD	
C[C@H](NC[C@H](O)CN(C)C)c1ccc(F)cc1O	717368894	ULRXMHIKVKZHEE-ONGXEEELSA-N	256.321	1.104	10	20	CDCD	
C[C@H](CNCc1cc([N+](=O)[O-])ccc1O)Cn1ccnc1	101595675	QCZFXHKLKMKBQM-LLVKDONJSA-N	290.323	1.923	10	20	CDCD	
Cc1ccc(C(=O)N2CCOC(C)(C)C2)c(O)c1O	177671743	KVJHLLKLJYPOCL-UHFFFAOYSA-N	265.309	1.657	10	20	CDCD	
COc1ccc(O)c(CN2CCO[C@@H]([C@@H]3CCCO3)C2)c1	180707271	VFODKLMUQSGBOI-JKSUJKDBSA-N	293.363	1.781	10	20	CDCD	
CC[C@@H](N)C(=O)NCCCSc1nccs1	129866847	JDUYGJBBVSWBRV-MRVPVSSYSA-N	259.400	1.479	10	20	CDCD	
Cc1ccc(C(=O)N(C)C[C@H]2CCC[C@H]2O)c(O)c1O	182904274	WSXIGBRQVAXNMM-ZYHUDNBSSA-N	279.336	1.639	10	20	CDCD	
COc1cc(O)c(CNC(C)(C)CCO)cc1OC	182220730	KYEORPDVGAWRSF-UHFFFAOYSA-N	269.341	1.660	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@H]2CSCN2)cc1	40825790	MUHACIUUBNODRW-GFCCVEGCSA-N	265.382	1.031	10	20	CDCD	
COc1cccc(CNC(=O)NCc2ccn(C)c2)c1O	81509497	ZBMQJTGJZORHCZ-UHFFFAOYSA-N	289.335	1.739	10	20	CDCD	
O=C1NC(=S)S/C1=C/c1ccc([N+](=O)[O-])c(O)c1	142135385	NRISVLPPTWGOEL-XBXARRHUSA-N	282.302	1.789	10	20	CDCD	
COc1ccc(O)c(CN2CC[C@H](C(=O)O)[C@H]2C)c1	92944187	CHSPPYSKYZDWNT-SKDRFNHKSA-N	265.309	1.696	10	20	CDCD	
Cc1cc(Cl)cc([C@@H](C)NC[C@H]2COCCN2)c1O	530222893	IFRSVMLDUNUISP-PWSUYJOCSA-N	284.787	1.993	10	20	CDCD	
CC1CCN(C(=O)C(=O)NCc2ccccc2O)CC1	278414391	MFDLCOKOPAOSPB-UHFFFAOYSA-N	276.336	1.267	10	20	CDCD	
Cc1ccc(C(=O)N[C@H]2CCSC2)c(O)c1O	272705842	CEVPOKSXGKAMRJ-QMMMGPOBSA-N	253.323	1.642	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N2CCO[C@@H]3C[C@@H]32)cc1F	368181804	WCYBSYKBDDUHPJ-UONOGXRCSA-N	293.342	1.574	10	20	CDCD	
Cc1noc(NC(=O)N(C)Cc2ccccc2O)n1	272414175	ZCDWHXGRGOHVTQ-UHFFFAOYSA-N	262.269	1.748	10	20	CDCD	
C[C@H](NC[C@@]1(O)CCO[C@@H]1C)c1ccc(F)c(F)c1O	278636936	DDLYCFSKWRCKGO-QIBSRJKCSA-N	287.306	1.861	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@H]2CCc3[nH]ncc3C2)cc1	270085463	BIYDDAJAPJNFPS-CYBMUJFWSA-N	298.390	1.897	10	20	CDCD	
CC[C@@H](N[C@@H](CCO)COC)c1ccc(F)cc1O	286089464	MQKZYRUPTPFZMC-WCQYABFASA-N	271.332	1.969	10	20	CDCD	
COc1cccc(CNc2ccc(CCO)nc2)c1O	808431930	AFRCIJLDALSKHI-UHFFFAOYSA-N	274.320	1.943	10	20	CDCD	
Cc1cc(CN(C)[C@H]2CCNC2=O)ccc1N(C)C	815076427	FOOARHSULFCFFE-AWEZNQCLSA-N	261.369	1.381	10	20	CDCD	
C[C@@H]1C[C@@H](NC[C@@H](N)c2ccc(N(C)C)cc2)CCO1	817944304	ZAZRVSYAPNGRNO-IVMMDQJWSA-N	277.412	1.910	10	20	CDCD	
COc1ccc(O)c(CN2C[C@@H]3[C@@H](C2)[C@H]2C=C[C@H]3O2)c1	824838221	MDZMVODNZZIBIB-RRCSTGOVSA-N	273.332	1.786	10	20	CDCD	
Cc1ccc(C(=O)NC2(C(=O)O)CCCC2)c(O)c1O	821064110	SZDNZSFYFSYIKG-UHFFFAOYSA-N	279.292	1.533	10	20	CDCD	
CCN(CC)c1ccc(CN2CCC(O)(CO)CC2)cc1	827147580	SYPFHIHHCRVVKI-UHFFFAOYSA-N	292.423	1.852	10	20	CDCD	
CC1CCN(CC(=O)NCc2ccc(O)cc2O)CC1	822421687	ABFHMHXOFQGDDT-UHFFFAOYSA-N	278.352	1.446	10	20	CDCD	
CCNC(=O)CN(C)Cc1cc(Cl)c(C)cc1O	824602165	RKPRXJLXECBAHR-UHFFFAOYSA-N	270.760	1.922	10	20	CDCD	
CN1C[C@H]2CC[C@H]1[C@H](CNC(=O)c1cccc(O)c1O)C2	909754840	VVXCEYTZJDVQBE-GVXVVHGQSA-N	290.363	1.558	10	20	CDCD	
COc1cc(CN(C)CC(N)=O)c(O)c(C(C)(C)C)c1	824555664	HSTSWHIKDDAXEB-UHFFFAOYSA-N	280.368	1.615	10	20	CDCD	
C[C@@H](NC(=O)N1CCC[C@@H]1CN)c1ccc(N(C)C)cc1	841882271	HTMXCMZLFXIPGD-IUODEOHRSA-N	290.411	1.946	10	20	CDCD	
Nc1ccc(CCNC(=O)N2CC[C@H](CCCO)C2)cc1	841955707	KWIUQNGHYOCYPP-AWEZNQCLSA-N	291.395	1.615	10	20	CDCD	
COC[C@H](O)CNCc1ccc(N(C)C)cc1C	840943387	PSPHJYGDJRJWQR-CQSZACIVSA-N	252.358	1.158	10	20	CDCD	
Cc1nc2n(n1)CCN(Cc1ccc(N(C)C)cc1C)C2	840915638	RUILUZNBWGCPLR-UHFFFAOYSA-N	285.395	1.977	10	20	CDCD	
CCOc1ccc(CN2CC[C@H](NC)C2)c(O)c1	843045509	UBVPGKGPVWJDIN-LBPRGKRZSA-N	250.342	1.585	10	20	CDCD	
N[C@H]1CCN(Cc2ccc(N3CCOCC3)c(F)c2)C1	843047328	RBIDFZQTNIPKNH-ZDUSSCGKSA-N	279.359	1.195	10	20	CDCD	
Nc1ccc(OCc2cn(CCCCCO)nn2)cc1	864623327	BTQZBYRJNRADTE-UHFFFAOYSA-N	276.340	1.602	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NCCN2CC[C@H](O)C2)c1	858602174	SDZPHOSELVXRKB-NEPJUHHUSA-N	280.368	1.118	10	20	CDCD	
CCOCCOCCOC(=O)/C=C\c1ccc(O)c(O)c1	922545323	LMJBQJJCLYHUQB-XQRVVYSFSA-N	296.319	1.707	10	20	CDCD	
CN(CC1=CCSC1)Cc1cc2c(cc1O)OC[C@H]2O	853620508	SODVUYBZWUKAMC-CQSZACIVSA-N	293.388	1.923	10	20	CDCD	
COCCOCCNC(=O)NCc1cc(C)ccc1O	858158801	QRVPDIBDEHPDTF-UHFFFAOYSA-N	282.340	1.163	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)Nc1nnn(C)n1	932269140	HWUNWYPMUGGGSL-UHFFFAOYSA-N	290.327	1.360	10	20	CDCD	
CCN1CC(=O)N[C@@H]1c1c(O)cccc1Br	864386606	FRUZFBXOQPSIFY-NSHDSACASA-N	285.141	1.605	10	20	CDCD	
COCCOCC(=O)N[C@@H](C)c1cc(OC)ccc1O	768910639	KEALFVUQQDOEKM-JTQLQIEISA-N	283.324	1.241	10	20	CDCD	
CN(C)c1ccc(CN(C(=O)Cc2nc[nH]n2)C2CC2)cc1	864786809	ZRIFLGPBIGHHKJ-UHFFFAOYSA-N	299.378	1.604	10	20	CDCD	
CCn1nccc1C(=O)NCc1cc(C)ccc1O	862757418	SZMXPDBSYKLSIQ-UHFFFAOYSA-N	259.309	1.847	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)C1CCSCC1	270544448	LWRNZIRGJVKVIK-UHFFFAOYSA-N	281.377	1.900	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)C1CCOCC1	768914342	NUNXIKAQLUDWLU-UHFFFAOYSA-N	251.282	1.141	10	20	CDCD	
COc1cccc(CNC(=O)Nc2ccnc(C)n2)c1O	763268440	OMIPKRWJPGCVSG-UHFFFAOYSA-N	288.307	1.821	10	20	CDCD	
C[C@H]1CSCCN1C(=O)Cc1ccc(N)cc1	70218779	VWEQBCZWXIRSGJ-JTQLQIEISA-N	250.367	1.775	10	20	CDCD	
CCN[C@@H](C)C(=O)NCc1ccc(OC)cc1O	876910288	BKCCPWJLSGGXKI-VIFPVBQESA-N	252.314	1.015	10	20	CDCD	
Cc1ccc(CN[C@H]2CCc3nnnn3CC2)c(O)c1	877596679	PXXYXOKUQDTPHE-LBPRGKRZSA-N	273.340	1.182	10	20	CDCD	
CC[C@H]1COCCN1CCNC(=O)Cc1ccc(N)cc1	877432115	ASWXHTMZFSTOOU-HNNXBMFYSA-N	291.395	1.038	10	20	CDCD	
Oc1ccc(F)cc1CNCCCNc1ncccn1	779044622	APQYQUJRYFDCPI-UHFFFAOYSA-N	276.315	1.913	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1nccs1	772542666	XZVDZBSXPFSVIT-MRVPVSSYSA-N	278.333	1.915	10	20	CDCD	
O=C(NCc1ccccc1O)c1ccn(C(F)F)n1	775780750	SLSPXTSXSHBPRF-UHFFFAOYSA-N	267.235	1.914	10	20	CDCD	
CC(C)NC(=O)CN[C@@H](C)c1c(O)cccc1F	886493553	QBMNPEWCHOPKBZ-VIFPVBQESA-N	254.305	1.707	10	20	CDCD	
O=C(OCc1nnc2n1CCCC2)c1cc(O)cs1	783608896	VGTARBIEIGROQD-UHFFFAOYSA-N	279.321	1.739	10	20	CDCD	
C[C@@]1(CO)C[C@@H](O)CN1Cc1cc(Cl)c(F)cc1O	895326470	YCMHYRHZKKQUQL-RNCFNFMXSA-N	289.734	1.502	10	20	CDCD	
COc1cc(C)cc(CN(C)CC[C@H](C)O)c1O	894034657	UDAZHJHTPJTQRF-NSHDSACASA-N	253.342	1.912	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1C[C@@H](O)C[C@]1(C)CO	895323179	AFMMPUMHHPBVLL-JKSUJKDBSA-N	278.396	1.379	10	20	CDCD	
C[C@@H](NC(=O)N[C@@H]1CC[C@H](CN)C1)c1ccccc1O	892170188	PYBNWPXADWDQIH-GRYCIOLGSA-N	277.368	1.880	10	20	CDCD	
CCOc1cccc(CN[C@@H](C)C[S@@](C)=O)c1O	168182119	FVYSBMCRWXJYIB-YPMLDQLKSA-N	271.382	1.648	10	20	CDCD	
Nc1ccc(CC(=O)NCCc2ccccc2O)cc1	169819352	KCCXNMGFUYAAMV-UHFFFAOYSA-N	270.332	1.876	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)c1cnn2ccncc12	1321511123	KAPTVLBUQLQKHA-UHFFFAOYSA-N	284.275	1.071	10	20	CDCD	
C[C@H](O)CCNCc1ccc(N2CCN(C)CC2)c(F)c1	1328655507	MOTPEIRKIAWHRA-ZDUSSCGKSA-N	295.402	1.438	10	20	CDCD	
OC[C@@H](CC(F)F)N[C@H]1CCc2cccc(O)c21	717743100	GZLLIRYZJAYSTM-ZJUUUORDSA-N	257.280	1.985	10	20	CDCD	
Cc1ccc([C@@H](C)NCc2nnc3n2CCOC3)c(O)c1	1343547958	PMMWZJUIYGVQLM-LLVKDONJSA-N	288.351	1.673	10	20	CDCD	
C[C@@]1(NC(=O)NCc2cc(Cl)ccc2O)CCOC1=O	1348568147	OVKOFBXXXAIOPJ-CYBMUJFWSA-N	298.726	1.550	10	20	CDCD	
O=C1NC(=O)/C(=C/c2ccc(N3CCOCC3)cc2)S1	1012957	NFHZXNKKWAOGQR-XFXZXTDPSA-N	290.344	1.847	10	20	CDCD	
O=C(Cc1ccc(O)c(O)c1)NC[C@@H](CC1CC1)C(=O)O	1601360475	CKGSYWWLWNOZHU-LLVKDONJSA-N	293.319	1.257	10	20	CDCD	
O=C(O)C[C@H]1CCCN1Cc1cc2c(cc1O)OC[C@@H]2O	1608696623	LEPHTNZKDQYIMY-MFKMUULPSA-N	293.319	1.257	10	20	CDCD	
COCCOCCN[C@H](C)c1cc(C(=O)O)ccc1O	1610260868	BJGLCJCXCPTUNZ-SNVBAGLBSA-N	283.324	1.404	10	20	CDCD	
O=C(O)[C@@H]1CSCCN(Cc2cc(F)ccc2O)C1	1601856164	IFHOTLSUOAMYCE-JTQLQIEISA-N	285.340	1.781	10	20	CDCD	
C/C(=C\CNC(=O)N[C@@H](C)c1ccccc1O)C(=O)O	1588973022	JAIHXKRGJBPENR-PCYYEKQGSA-N	278.308	1.783	10	20	CDCD	
C[C@@H]1CCN(C(=O)c2cc(O)cs2)C[C@@H]1C(=O)O	1589348691	UOXLIMOAKSCULJ-APPZFPTMSA-N	269.322	1.637	10	20	CDCD	
CC(C)(CNCc1ccc(N2CC[C@H](O)C2)cc1)C(=O)O	1776294518	SWQLQSPSDTVBLS-AWEZNQCLSA-N	292.379	1.458	10	20	CDCD	
COc1cccc(CNC(=O)NC(C)(C)C)c1O	157314114	YOWGGMNGNUDFDW-UHFFFAOYSA-N	252.314	1.999	10	20	CDCD	
C[C@@H](O)CCCNCc1ccc(N2CCOCC2)cc1	227956479	GINWDAMRDWZGLC-CQSZACIVSA-N	278.396	1.774	10	20	CDCD	
O=C(N[C@@H]1CCN(C2CC2)C1)c1cccc(O)c1O	126355352	CJQAPTMHQFCQAH-SECBINFHSA-N	262.309	1.064	10	20	CDCD	
Cc1nnsc1CNC(=O)c1cccc(O)c1O	384145079	OHFQLGHAALRHOD-UHFFFAOYSA-N	265.294	1.188	10	20	CDCD	
CS(=O)(=O)C1(CNCc2cc(Cl)ccc2O)CC1	393689671	MHCHGUHDMRNPMW-UHFFFAOYSA-N	289.784	1.712	10	20	CDCD	
COc1ccc(O)c(CN[C@H](C)[C@H](CO)SC)c1	224856968	LPSUYZHFQSZJCF-RNCFNFMXSA-N	271.382	1.603	10	20	CDCD	
CC(C)(CNCc1ccc2c(c1)CCCO2)OCCO	922132580	SNAOYEIREDEJJF-UHFFFAOYSA-N	279.380	1.889	10	20	CDCD	
CC[C@@H](N[C@H](C)c1ccccc1O)C(=O)N1CCOCC1	183547656	FTHRPIQNRPSJDJ-TZMCWYRMSA-N	292.379	1.680	10	20	CDCD	
CN(Cc1cc(Cl)ccc1O)[C@H]1CCS(=O)(=O)C1	132400752	MRFYOCBEOBIXPY-NSHDSACASA-N	289.784	1.665	10	20	CDCD	
COc1ccc(O)c(CNS(=O)(=O)c2ccco2)c1	188713774	GXRMWAALZFLJPQ-UHFFFAOYSA-N	283.305	1.472	10	20	CDCD	
COC(=O)N1CCN(Cc2cccc(OC)c2O)CC1	92217310	CYBJAFRZRAHRIX-UHFFFAOYSA-N	280.324	1.285	10	20	CDCD	
C[C@@H](CCO)CN[C@H](C)c1cc([N+](=O)[O-])ccc1O	273601720	SATVHAFKQWMBSM-VHSXEESVSA-N	268.313	1.970	10	20	CDCD	
COCC[C@@H](CO)N[C@@H](C)c1cc(F)ccc1O	281598994	MANQKYPXSJEWQQ-ONGXEEELSA-N	257.305	1.579	10	20	CDCD	
CC[C@@H](NCCOCCO)c1ccc(F)cc1O	285865768	YRPQCZBKVHANKK-GFCCVEGCSA-N	257.305	1.581	10	20	CDCD	
COCC[C@@H](CO)NCc1cccc(Cl)c1O	281179676	HQFFUIKREUPWOL-JTQLQIEISA-N	259.733	1.533	10	20	CDCD	
COC(=O)COCC(=O)N[C@H](C)c1ccc(N(C)C)cc1	807274037	GMEHFTNIEQVLOM-LLVKDONJSA-N	294.351	1.119	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@@](C)(O)C1CC1	804383500	UKPLRHQEFSWGKQ-INIZCTEOSA-N	276.380	1.838	10	20	CDCD	
COc1cc(OC)c(C(=O)OCC(=O)C(C)=O)cc1OC	808489170	GUDJDFVATNOLSU-UHFFFAOYSA-N	296.275	1.027	10	20	CDCD	
O[C@H](CNCc1ccc(N2CC=CC2)cc1)Cn1cccn1	819094201	BMTBKHRXHBMJTH-QGZVFWFLSA-N	298.390	1.410	10	20	CDCD	
OCC1(CNCc2ccc3ccccc3c2O)COC1	816557901	GEHRBTCRYKXLPC-UHFFFAOYSA-N	273.332	1.644	10	20	CDCD	
CCOc1ccc(O)c(CNC2CCN(C(C)=O)CC2)c1	727644786	RMBVUTSGOHCSQE-UHFFFAOYSA-N	292.379	1.891	10	20	CDCD	
O=CN1CCCN(Cc2cccc(Cl)c2O)CC1	827872279	TUASTJCNLDRZOR-UHFFFAOYSA-N	268.744	1.710	10	20	CDCD	
O=C(c1c(F)ccc(O)c1O)N1CC[C@@H]([C@@H]2CCOC2)C1	827209440	ZQTNHIQFIRMUOK-NXEZZACHSA-N	295.310	1.736	10	20	CDCD	
Cc1cc(O)c(CN2CCNC(=O)C2)cc1Cl	824516961	YELRWTJFIJGATL-UHFFFAOYSA-N	254.717	1.286	10	20	CDCD	
COCCN(CC[C@@H](C)O)c1ccc(OC)c(OC)c1	828345357	RWJNBQUFPADZFY-GFCCVEGCSA-N	283.368	1.928	10	20	CDCD	
CCC[C@H](OC)C(=O)NCc1cc(OC)ccc1O	825840491	UIUKVVPWLVZAQW-ZDUSSCGKSA-N	267.325	1.832	10	20	CDCD	
COc1cccc(CNCCCCC(=O)O)c1O	820865416	ODVIDTHNGMNTEL-UHFFFAOYSA-N	253.298	1.745	10	20	CDCD	
O=C(NCc1ccccc1O)N[C@@H]1CCCN(C(=O)O)C1	739449024	ZSFBOGFMKKARPF-LLVKDONJSA-N	293.323	1.334	10	20	CDCD	
COc1cc2c(c(OC)c1)N(CCCO)CCC2	839655517	STHMEZWYAIGEAW-UHFFFAOYSA-N	251.326	1.839	10	20	CDCD	
O=C(N[C@@H]1C[C@H]2CCCCN2C1=O)c1cc(O)cs1	839791003	HYBSAENWJVJSSB-PSASIEDQSA-N	280.349	1.337	10	20	CDCD	
Cc1ccoc1/C=C1\SC(=S)N(CC(=O)O)C1=O	742347179	UVSIRNAOILZNMO-YWEYNIOJSA-N	283.330	1.874	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N[C@H]2CCC[C@@H](N)C2)cc1	841656060	VFJPYSKWQXGZPG-KGLIPLIRSA-N	290.411	1.822	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1CCC(C(N)=O)CC1	840908230	QHCCLLKQOOJUNB-UHFFFAOYSA-N	275.396	1.758	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)C1(c2cccnc2)CC1	910947572	HJMVACFHDVGKNT-UHFFFAOYSA-N	284.315	1.841	10	20	CDCD	
CC[C@H](C)[C@H](NC(C)=O)C(=O)NCc1ccc(O)cc1O	910947020	ZJYHGIGLQRDVET-XPTSAGLGSA-N	294.351	1.265	10	20	CDCD	
COc1ccc(CNC(=O)N[C@@H]2CC[C@H](CN)C2)c(O)c1	842011321	SKEPBEAHXHEDIS-CMPLNLGQSA-N	293.367	1.327	10	20	CDCD	
COc1cccc([C@@H](C)NCc2nnc3n2CCC3)c1O	846138736	NGERTKCVSBEKRX-SNVBAGLBSA-N	288.351	1.789	10	20	CDCD	
COc1ccc(CNCCN2CC[C@@H](O)C2)cc1C	858298048	JBSSPKFSLXUMDH-CQSZACIVSA-N	264.369	1.160	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)OC[C@@H]1CCCO1	759579703	NXDXOTBGKMTIDZ-QZPNVGJNSA-N	264.277	1.833	10	20	CDCD	
COCCCOCCC(=O)NCCc1ccc(N)cc1	851631470	CVMUBKPOFYNFHN-UHFFFAOYSA-N	280.368	1.371	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2C[C@H](OC)C2)c1	858984904	LEUCSCXHTNSAGN-NHCYSSNCSA-N	294.351	1.938	10	20	CDCD	
CCc1cccc(CN(C)[C@@]2(CO)CCOC2)c1O	862428963	YBGOMDWGBOXBLA-OAHLLOKOSA-N	265.353	1.538	10	20	CDCD	
CCO[C@H](C(=O)NCc1cc(OC)ccc1O)C1CC1	860240937	FMBUAOQJJRDFKP-AWEZNQCLSA-N	279.336	1.832	10	20	CDCD	
COc1ccc(O)c([C@@H](C)N[C@@H]2CCOC[C@H]2O)c1	872141164	OMIDWRNXTNLUCN-GAJTVXKRSA-N	267.325	1.201	10	20	CDCD	
C[C@H](Cn1cccn1)NC(=O)/C=C/c1ccc(O)c(O)c1	779478453	HCQPDWXWJLCCNY-DUMNWFOQSA-N	287.319	1.512	10	20	CDCD	
CCN[C@H](C)C(=O)NCc1ccc(N2CCOCC2)cc1	876726455	GZAOKPRMFPZBJS-CYBMUJFWSA-N	291.395	1.137	10	20	CDCD	
CCN1CCN(C(=O)c2cc(O)cs2)C(C)(C)C1=O	779461241	GWKOOGKQXUVKDE-UHFFFAOYSA-N	282.365	1.537	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@@]2(C)CCCOC2)c1O	775051655	OXXODHJAHLEUBV-AWEZNQCLSA-N	296.323	1.968	10	20	CDCD	
C[C@@H](NC(=O)NCC(=O)N(C)C)c1ccc(N(C)C)cc1	773128517	DRGJTWATIXQRKB-LLVKDONJSA-N	292.383	1.201	10	20	CDCD	
C[C@@H](NCC(=O)N1CCC1)c1ccc(N(C)C)cc1	775836071	YHIDEMYLSGBICD-GFCCVEGCSA-N	261.369	1.636	10	20	CDCD	
CC(=O)c1cc(F)cc(Cn2cc(C(C)(C)O)nn2)c1O	880996372	SXLHFAWAOMJGHK-UHFFFAOYSA-N	293.298	1.601	10	20	CDCD	
O=C(CC[C@@H]1CCCO1)OCC(=O)c1ccc(O)c(O)c1	782729176	OBRMFLAXYIQKNU-NSHDSACASA-N	294.303	1.783	10	20	CDCD	
C[C@@H](N[C@H]1CCCN(C)C1=O)c1c(O)cccc1F	886536727	NTFGLXDKZKTBGF-KOLCDFICSA-N	266.316	1.803	10	20	CDCD	
OC[C@]12C[C@@H]1CN(Cc1cccc(Br)c1O)C2	783735853	TZRQZFUATBMHES-ZWNOBZJWSA-N	298.180	1.969	10	20	CDCD	
CN1CCN(CCCNCc2cc(F)cc(F)c2O)CC1	882881105	YFMLSMOTUJAHNH-UHFFFAOYSA-N	299.365	1.398	10	20	CDCD	
COc1ccc(CNCC[C@H](C)O)c(O)c1OC	894030161	OEOGHZFVKHYRIE-VIFPVBQESA-N	255.314	1.270	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)NC[C@H]1C[C@@H](N)C1	892560955	DAHDEGTXWZBWBE-KLPPZKSPSA-N	263.341	1.271	10	20	CDCD	
Cc1ccc(O)c(CN2C[C@@H](O)C[C@@]2(C)CO)c1	895332627	XBXBMGRAIFLJQR-JSGCOSHPSA-N	251.326	1.018	10	20	CDCD	
COC(=O)CCCC(=O)OCC(=O)c1ccc(O)c(O)c1	784722836	AJYVRDZFVVZDFD-UHFFFAOYSA-N	296.275	1.167	10	20	CDCD	
COC[C@H](NCc1ccc(OC)c(C)c1)C(=O)OC	789574178	BRHIWKBCFIPUSL-LBPRGKRZSA-N	267.325	1.281	10	20	CDCD	
COc1ccc(CNC(=O)NOCC(F)(F)F)c(O)c1	793009473	SASIBFNIFQMTTK-UHFFFAOYSA-N	294.229	1.694	10	20	CDCD	
CN(C)c1ccc(CN(C)C(=O)[C@H]2C[C@H](N)C2)cc1	693598958	SNHGLLWRZITNEW-JOCQHMNTSA-N	261.369	1.448	10	20	CDCD	
CN1CCN(c2ccc(CN(C)CCO)cc2F)CC1	1253963539	UNXMXQRPRIOIHE-UHFFFAOYSA-N	281.375	1.002	10	20	CDCD	
C[C@@H](C(=O)NCCc1ccc(N)cc1)n1ccnc1	1346089302	OPQMUWABZIADBE-NSHDSACASA-N	258.325	1.385	10	20	CDCD	
CCOc1cccc(CN[C@H](C)CC(=O)O)c1O	1610372758	DNHWXTCEUYHKOJ-SECBINFHSA-N	253.298	1.744	10	20	CDCD	
Cc1ccc([C@H](C)NCCn2cc(C(=O)O)nn2)c(O)c1	1610490817	MYEMOZGGIUASAX-JTQLQIEISA-N	290.323	1.341	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NC[C@H]2CCCCN2)c1	1579723468	BTWHWZCARPEGDX-CYBMUJFWSA-N	277.368	1.642	10	20	CDCD	
COc1ccc(O)c(CN[C@@H]2CCN(C)[C@H](C)C2)c1	128107982	SVQFGNJHNMQXCD-DGCLKSJQSA-N	264.369	1.973	10	20	CDCD	
Nc1ccc(CC(=O)NC[C@@H]2CCN(C3CC3)C2)cc1	37649625	RAPNKMAGNOFFPJ-ZDUSSCGKSA-N	273.380	1.412	10	20	CDCD	
C[C@H]1CCCCN1S(=O)(=O)NCCc1ccc(N)cc1	40675719	DRNGNRLGBMLTEH-LBPRGKRZSA-N	297.424	1.520	10	20	CDCD	
COc1cccc(CN[C@@H](C)c2n[nH]c(C)n2)c1O	392360463	ASOOXSOJDJPLHY-QMMMGPOBSA-N	262.313	1.678	10	20	CDCD	
CCS(=O)(=O)C[C@H](C)NCc1ccccc1O	113350571	GDLNTAUBHWPOCT-JTQLQIEISA-N	257.355	1.305	10	20	CDCD	
O=C1NC(=S)S/C1=C\c1cnc2ccccn12	119109047	OLUWOXQODLOVSV-YVMONPNESA-N	261.331	1.823	10	20	CDCD	
Cn1cc(N2CC[C@@H](Sc3nccs3)C2=O)cn1	110143437	UJUCIKQKVOHHAH-SECBINFHSA-N	280.378	1.774	10	20	CDCD	
C[C@]1(C(=O)NCc2c(O)cccc2F)CCCNC1	1354864000	BJWNELHPPKUWPA-AWEZNQCLSA-N	266.316	1.537	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@]1(O)CCSC1	305708387	ITMDGJQEPCRAMK-HNNXBMFYSA-N	294.420	1.545	10	20	CDCD	
CCc1noc(CN(C)c2ccc3c(c2)OCO3)n1	121413942	FEUYERBWODMZOE-UHFFFAOYSA-N	261.281	1.997	10	20	CDCD	
COc1ccccc1NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1	37874612	FDAWXSHXNGTCIT-LLVKDONJSA-N	292.295	1.273	10	20	CDCD	
CCn1nccc1C(=O)NCCc1ccc(O)c(O)c1	131828364	WZEAFVBWVXBHEX-UHFFFAOYSA-N	275.308	1.287	10	20	CDCD	
O=C(N[C@H]1CCO[C@H](C2CC2)C1)c1cccc(O)c1O	193164478	GKFLKORRCNLQEN-GWCFXTLKSA-N	277.320	1.785	10	20	CDCD	
COc1cccc(CN2CCN(CC3CC3)CC2)c1O	130671774	FUSYTANSILSHCJ-UHFFFAOYSA-N	276.380	1.928	10	20	CDCD	
CCO[C@H]1C[C@@H]1C(=O)NCCc1ccc(O)c(O)c1	179091041	NDTBISIFNVRBRP-GWCFXTLKSA-N	265.309	1.182	10	20	CDCD	
C[C@]1(CNC(=O)Cc2ccc(N)cc2)CCCC[C@@H]1O	237780927	LVSVOYGOXZQIBS-GOEBONIOSA-N	276.380	1.869	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2cnn(C3CC3)c2)c1	528859537	DMPPLOYUPUQGHK-UHFFFAOYSA-N	287.319	1.862	10	20	CDCD	
COc1ccc(N(C)CC(=O)N2CCC2)cc1F	268157019	IQKWPQYPJSNQRB-UHFFFAOYSA-N	252.289	1.503	10	20	CDCD	
C[C@@H]1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C1	263764356	ZKMVKKIBRGHHNO-SECBINFHSA-N	298.364	1.246	10	20	CDCD	
Cc1cc(Cl)cc([C@H](C)NC[C@H]2COCCN2)c1O	530222891	IFRSVMLDUNUISP-JQWIXIFHSA-N	284.787	1.993	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)[C@@H]1CCNC1=O	269456097	GZDGEZASYAXEJC-CQSZACIVSA-N	261.369	1.463	10	20	CDCD	
CNC(=O)C[C@@H](C)NCc1ccc(N(C)C)c(F)c1	269051949	WCEFGQOXBCVMSN-SNVBAGLBSA-N	267.348	1.506	10	20	CDCD	
CCN1CCN(Cc2cc(OC)ccc2O)CC1=O	273360405	CNURQFYSJUKYIX-UHFFFAOYSA-N	264.325	1.065	10	20	CDCD	
COC[C@]1(C(=O)OC)CCN(Cc2cccc(C)c2O)C1	295120422	WMSJPHAKWQMIQD-INIZCTEOSA-N	293.363	1.712	10	20	CDCD	
O=C(OCCOC1CCC1)c1cccc(O)c1O	805533055	XQGBGCANYXCDFY-UHFFFAOYSA-N	252.266	1.824	10	20	CDCD	
CC(=O)C(=O)COC(=O)/C=C\c1ccc2ccccc2n1	808490492	PQORAWAQZWRJIL-HJWRWDBZSA-N	283.283	1.949	10	20	CDCD	
CN(C)S(=O)(=O)NCc1cc(Cl)cc(Cl)c1O	805135327	JSKWYYOPHXUHSH-UHFFFAOYSA-N	299.179	1.595	10	20	CDCD	
O=C(NCc1ccccc1O)c1cc(F)cc2nn[nH]c12	800519696	UDKKUKDUYVMYSD-UHFFFAOYSA-N	286.266	1.733	10	20	CDCD	
COc1cccc(O)c1CN(C)C[C@H](O)C1CC1	809752139	NOZLVSOMRVBGJR-ZDUSSCGKSA-N	251.326	1.604	10	20	CDCD	
C[C@H](OC[C@@H]1CCCCO1)C(=O)NCc1ccc(N)cc1	297145801	ILXJWJJDOZIPKP-WFASDCNBSA-N	292.379	1.859	10	20	CDCD	
Cn1ncc2c1C[C@@H](C(=O)Nc1ccc(N)cc1)CC2	818556472	TYLGVEKWCHLPAJ-JTQLQIEISA-N	270.336	1.746	10	20	CDCD	
O[C@H](CNCCCSc1nccs1)Cn1cccn1	819064405	WVCSPOHNTBQRDX-LLVKDONJSA-N	298.437	1.473	10	20	CDCD	
COc1cccc(CN2CCC[C@@H]2C(=O)N(C)C)c1O	122713177	KJJXGYCBZUXVBC-GFCCVEGCSA-N	278.352	1.453	10	20	CDCD	
C[C@@H](NC(=O)c1c(F)ccc(O)c1O)[C@@H]1CCCOC1	828081083	MOTYGKCHWOVABC-RKDXNWHRSA-N	283.299	1.782	10	20	CDCD	
CCCN(Cc1ccccc1O)[C@H](C)C(=O)NCC(=O)O	829496540	HCHCECUWCHIAFP-LLVKDONJSA-N	294.351	1.194	10	20	CDCD	
CC[C@H](NCc1ccc(N2CCOCC2)c(F)c1)[C@H](C)O	824921645	OPDRDBSUVYYMHH-WFASDCNBSA-N	296.386	1.911	10	20	CDCD	
CC(C)[C@@H](NC(=O)c1cc(O)cs1)c1ncon1	834534068	ZBWGKCLUOFCGKZ-SECBINFHSA-N	267.310	1.964	10	20	CDCD	
COc1cc2c(c(OC)c1)N(Cc1nnn(C)n1)CCC2	839656859	VBZJSLVSCNGTRP-UHFFFAOYSA-N	289.339	1.180	10	20	CDCD	
CC(=O)N[C@H](C)C(=O)NCc1ccc2c(c1)CCCN2C	746809434	ZKYOKMNFUPQWKD-LLVKDONJSA-N	289.379	1.210	10	20	CDCD	
CCCNCCNC(=O)N(C)Cc1ccccc1O	841961121	LGDGZOQBJLKROD-UHFFFAOYSA-N	265.357	1.533	10	20	CDCD	
CCOC[C@@H](C)NC[C@H](N)c1ccc(N(C)C)cc1	841045824	QYEFEDNWTVKUMW-DOMZBBRYSA-N	265.401	1.767	10	20	CDCD	
CCc1cccc(CN[C@@H](C)C(=O)NCCF)c1O	848909077	KAANZEZNCWNEQT-JTQLQIEISA-N	268.332	1.518	10	20	CDCD	
CCCN(CC(N)=O)Cc1ccc(N(C)C)cc1C	840950966	VLHMRLJHAAAYOW-UHFFFAOYSA-N	263.385	1.758	10	20	CDCD	
CC(C)(O)CCC(=O)NCc1ccc(O)cc1O	910948127	UUAFERNRHCGWBC-UHFFFAOYSA-N	253.298	1.265	10	20	CDCD	
CCN(C)c1ccc(CN2CCOC[C@H]2CC(=O)O)cc1	846273073	WSWMLICBQFGFPP-OAHLLOKOSA-N	292.379	1.818	10	20	CDCD	
CN1CCCc2cc(CN[C@@H]3C(=O)NCC3(C)C)ccc21	924869614	HXHUBYPPZGOXIW-OAHLLOKOSA-N	287.407	1.683	10	20	CDCD	
CC[C@H](CCO)N[C@@H](C)c1cc(C(=O)OC)ccc1O	756604261	MLEGRBCZAMLGSD-CMPLNLGQSA-N	281.352	1.990	10	20	CDCD	
CO[C@H]1CCCN(Cc2cc3c(cc2O)OC[C@H]3O)C1	768453623	ZYZZBCKGXMANEI-SMDDNHRTSA-N	279.336	1.429	10	20	CDCD	
CON(C)C(=O)[C@@H](C)NC(=O)N[C@H](C)c1ccccc1O	868818053	SAAPGVVZJIXXGK-NXEZZACHSA-N	295.339	1.161	10	20	CDCD	
CCOc1ccc(CN2CCN3C(=O)CC[C@H]3C2)c(O)c1	769206535	OZQXNXILVQXDIX-ZDUSSCGKSA-N	290.363	1.598	10	20	CDCD	
COC[C@]1(C(=O)N(C)Cc2ccccc2O)CCCCN1	876606161	WGJOBORZXDAJPX-INIZCTEOSA-N	292.379	1.509	10	20	CDCD	
CN(C)c1cc(F)c(CN2CC(C)(O)C2)cc1F	877581096	NJZDKTNVECUVKJ-UHFFFAOYSA-N	256.296	1.597	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NCCOCC1CC1	779513363	ICHVASRLZKCPIS-GQCTYLIASA-N	277.320	1.654	10	20	CDCD	
C[C@H](NCCCN1CCN(C)CC1)c1c(O)cccc1F	886493496	NWVLWQHSPMEABV-ZDUSSCGKSA-N	295.402	1.819	10	20	CDCD	
C[C@@H]1Cn2nc(C(=O)N(C)c3ccc(N)cc3)cc2CN1	1122173938	LSRVHJCPEBWYTP-SNVBAGLBSA-N	285.351	1.234	10	20	CDCD	
O=C(NC1CCN([C@@H]2CCOC2)CC1)c1cc(O)cs1	771040761	SMSYYXDNASSXDZ-LLVKDONJSA-N	296.392	1.437	10	20	CDCD	
C[C@H](NC(=O)CCCC(N)=O)c1ccc(N(C)C)cc1	787533036	KTTAFDMFNKTXGL-NSHDSACASA-N	277.368	1.585	10	20	CDCD	
Cn1cncc1CCn1cc(COc2ccc(N)cc2)nn1	881369475	OKQHPZXABXGVGN-UHFFFAOYSA-N	298.350	1.416	10	20	CDCD	
C[C@@H]1OCC[C@@]1(O)CNCc1c(O)ccc(Cl)c1F	788537065	UJRVJAWRFGUYHD-ISVAXAHUSA-N	289.734	1.814	10	20	CDCD	
COc1ccc(CNC[C@H]2CC[C@@H](O)C2)c(O)c1OC	893959564	KWQKGFJRIWVFIQ-CMPLNLGQSA-N	281.352	1.660	10	20	CDCD	
COc1ccc(CN[C@H](C)[C@@H](C)OC)c(O)c1OC	894552857	LEZDBBMMJOXGGV-NXEZZACHSA-N	269.341	1.922	10	20	CDCD	
COc1ccc(CNCC2(CO)CCC2)c(O)c1OC	893534451	MDYOMNHRTXUDON-UHFFFAOYSA-N	281.352	1.662	10	20	CDCD	
Cc1nnc([C@@H](C)NC(=O)c2cccc(O)c2O)s1	280547896	TVIHQTNBLWOYGM-ZCFIWIBFSA-N	279.321	1.749	10	20	CDCD	
CN[C@@H](C)CCNC(=O)NCc1cccc(OC)c1O	1327485479	FKRILWIITFFNLH-JTQLQIEISA-N	281.356	1.198	10	20	CDCD	
O=S1(=O)CC[C@H](CNCc2cc(F)cc(F)c2O)C1	708558869	MEFWVWFDFZUPKR-MRVPVSSYSA-N	291.319	1.195	10	20	CDCD	
CCOc1cccc(CN[C@@H](C)CS(C)(=O)=O)c1O	78639414	XHXXZNAPXGRYNQ-JTQLQIEISA-N	287.381	1.314	10	20	CDCD	
COc1ccc(CN2CCN(C)C(C)(C)C2)c(O)c1OC	1333850486	OSRIGFUZFPOUFN-UHFFFAOYSA-N	294.395	1.935	10	20	CDCD	
CCOc1ccc(CNCc2csnn2)c(O)c1	1352863911	QVJMLDMQFBJOFR-UHFFFAOYSA-N	265.338	1.932	10	20	CDCD	
CC[C@H](O)CCN[C@@H](C)c1cccc(-c2nn[nH]n2)c1O	1604067150	VCYMWRBYXJIHNE-UWVGGRQHSA-N	291.355	1.384	10	20	CDCD	
CN(C)c1ccc([C@H](N)CNCc2ccc(O)nc2)cc1	1578424747	UOTSBDGUIKRJLO-OAHLLOKOSA-N	286.379	1.643	10	20	CDCD	
CON(C(=O)c1ccc(N=NC(N)=O)cc1)[C@@H](C)C(=O)O	1594038056	ASNWCXQTZQRHEB-ZETCQYMHSA-N	294.267	1.326	10	20	CDCD	
C[C@@H](NC/C=C\CO)c1cc(C(=O)O)ccc1O	1593256482	IIFSHYGVEVUPEX-PKRMOACSSA-N	251.282	1.290	10	20	CDCD	
COc1cc(O)c(CN(C)[C@H]2CCOC2)cc1OC	160161763	XLVMXRWIPTUQHV-NSHDSACASA-N	267.325	1.630	10	20	CDCD	
CNC(=O)NC(=O)CSc1ncc(C(C)(C)C)s1	164074423	FPSNBWPFWPTNHO-UHFFFAOYSA-N	287.410	1.988	10	20	CDCD	
COCCN(C)Cc1ccc(N2CCOCC2)cc1	154188684	VWZAPJYXDGKYST-UHFFFAOYSA-N	264.369	1.601	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)[C@@H]1C[C@@H]2CC[C@@H]1O2	156663352	TUXWKNLWMIQHFQ-WDMOLILDSA-N	277.320	1.324	10	20	CDCD	
Cc1cccc(CNCC(C)(C)NS(C)(=O)=O)c1O	124796962	XXLISEFHRFDCFX-UHFFFAOYSA-N	286.397	1.118	10	20	CDCD	
CCN1CCN(Cc2cc3c(cc2O)OCO3)CC1	28940709	DZIUPJTUUYSNHV-UHFFFAOYSA-N	264.325	1.258	10	20	CDCD	
CN1CC[C@H](N(C)Cc2cc(F)ccc2O)C1=O	272331319	WNIHWEGDTCCLCQ-NSHDSACASA-N	252.289	1.194	10	20	CDCD	
CCC1(O)CCN(C(=O)c2cccc(O)c2O)CC1	279360083	SPYWQCKWRDGWSR-UHFFFAOYSA-N	265.309	1.475	10	20	CDCD	
O=C1CN(Cc2ccccc2)[C@@H](c2ccc(O)c(O)c2)N1	112370186	SJIVINBJQRYDCW-INIZCTEOSA-N	284.315	1.728	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CC(=O)N(C)C1	115281828	QSNZSKFQQOUGHJ-CYBMUJFWSA-N	289.379	1.156	10	20	CDCD	
CCN(CC)C(=O)CN(C)C(=O)c1ccc(C)c(O)c1O	177664418	NMHSMVXLVMTHFE-UHFFFAOYSA-N	294.351	1.347	10	20	CDCD	
Cc1ccc(C(=O)Nc2ccccc2C(N)=O)c(O)c1O	179397874	UVPGKFUJBPZXRH-UHFFFAOYSA-N	286.287	1.757	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@@H](O)C1	304208628	CPJJGONJIYJIRB-OAHLLOKOSA-N	291.395	1.727	10	20	CDCD	
OCCn1ncc2c1CCC[C@H]2NCc1ccccc1O	37169228	GDROMLQMCLXMPO-CQSZACIVSA-N	287.363	1.748	10	20	CDCD	
CCN(CC)CCNC(=O)/C=C/c1ccc(O)c(O)c1	180580953	LPIRPTBXSLRKEE-SOFGYWHQSA-N	278.352	1.569	10	20	CDCD	
CN(Cc1cscn1)C(=O)c1cccc(O)c1O	126347004	MYAQNAIQVNGAQA-UHFFFAOYSA-N	264.306	1.827	10	20	CDCD	
CCCCCN1CC(=O)N[C@@H]1c1cc([N+](=O)[O-])ccc1O	182319217	JQAMWTAQHJCBDV-AWEZNQCLSA-N	293.323	1.921	10	20	CDCD	
CCC[C@@H]1C(=O)NCCN1Cc1cc(C)cc(OC)c1O	128939461	AUBQLXJZJGDADF-CYBMUJFWSA-N	292.379	1.810	10	20	CDCD	
Nc1ccc(CC(=O)N2CC[C@@H]3NCC[C@H]3C2)cc1	366459149	FLJDIMVVCCKPLU-JSGCOSHPSA-N	259.353	1.022	10	20	CDCD	
Cc1nc2n(n1)C[C@@H](N[C@@H](C)c1ccccc1O)CC2	183485230	WQHAMXDVZWAACU-JQWIXIFHSA-N	272.352	1.958	10	20	CDCD	
Oc1ccccc1CNC[C@@H](O)COCC1CC1	134231944	UNOQNVLLSXWOPM-CYBMUJFWSA-N	251.326	1.269	10	20	CDCD	
Cc1c(CN=c2ccc(=O)n(C)[nH]2)n(C)c2ccccc12	413259779	DKDOJEOSDVQJSP-UHFFFAOYSA-N	282.347	1.614	10	20	CDCD	
COc1cc(Cl)cc(CN(C)[C@H](C)C(=O)O)c1O	229118419	AYEPMPTXFMMEPH-SSDOTTSWSA-N	273.716	1.959	10	20	CDCD	
COc1ccc(O)c(CN[C@@H](C)CCN(C)C)c1	49553724	AXAAQBYJYPRBNN-NSHDSACASA-N	252.358	1.831	10	20	CDCD	
CON(C)CCNCc1ccc2c(c1)CCCO2	922247124	QIYXALMUWKEENJ-UHFFFAOYSA-N	250.342	1.594	10	20	CDCD	
CC[C@@H](NC[C@@]1(O)CCOC1)c1ccc(N(C)C)cc1	90849157	FXUXGCFOHNKQEB-CVEARBPZSA-N	278.396	1.945	10	20	CDCD	
CNC(=O)[C@@H](C)CN(C)Cc1cc(Cl)ccc1O	93899067	VWBPRTBRLBNJRM-VIFPVBQESA-N	270.760	1.860	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC[C@H]2COCCN2)c1	530221050	CDJXSGGXRRAGND-QWRGUYRKSA-N	266.341	1.040	10	20	CDCD	
COc1ccc(N(C)CC(=O)N2CCC2)c(OC)c1	269848783	XDTSYOCUJUNJHV-UHFFFAOYSA-N	264.325	1.372	10	20	CDCD	
COc1ccsc1C=C1C(=O)N(C)C(=O)N(C)C1=O	268758136	YYWHWKCIEHBBRK-UHFFFAOYSA-N	280.305	1.191	10	20	CDCD	
C[C@@H]1CCN(C(=O)Cc2ccc(N)cc2)[C@@H](CN)C1	261672192	CSTMARSGWGKZJF-BXUZGUMPSA-N	261.369	1.397	10	20	CDCD	
Nc1nsc(N2CCN(Cc3ccccc3O)CC2)n1	271343660	KAQIZUHNZRKJIK-UHFFFAOYSA-N	291.380	1.148	10	20	CDCD	
COC[C@@H](NCc1cccc(OC)c1O)[C@@H]1CCCO1	278726647	UAZWACWRSIFOQN-OLZOCXBDSA-N	281.352	1.684	10	20	CDCD	
CN(C)c1ccc(CN2CCOC[C@@H]2c2ncon2)cc1	360639880	VEZWTRDBZWRXRF-CQSZACIVSA-N	288.351	1.709	10	20	CDCD	
C[C@@H](N[C@@H](CO)c1cnn(C)c1)c1ccc(F)c(F)c1O	276885442	GQENYVDEKDBZGY-PELKAZGASA-N	297.305	1.788	10	20	CDCD	
C[C@@H](CNC(=O)c1c(F)ccc(O)c1O)CN(C)C	295286128	IXLZRNBJUWXSHN-QMMMGPOBSA-N	270.304	1.164	10	20	CDCD	
CCOC(=O)NCCC(=O)NCc1ccccc1O	299471345	GMYALKBCMRBTJK-UHFFFAOYSA-N	266.297	1.145	10	20	CDCD	
c1cc(N2CCOCC2)ccc1CN1CCOCC12CC2	802658718	PNFIJHROHUDUFP-UHFFFAOYSA-N	288.391	1.888	10	20	CDCD	
CC(C)[C@H](O)C(=O)NCCCSc1nccs1	813451071	HEBWQQFPMJXFST-VIFPVBQESA-N	274.411	1.758	10	20	CDCD	
CNCCC(=O)N[C@H](C)c1cc(OC)ccc1O	828667902	WFMHBSIWFUHSQJ-SECBINFHSA-N	252.314	1.188	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CO[C@@H](C)C2)c1	827612840	OYBAWDGVLGQPDY-DCAQKATOSA-N	294.351	1.938	10	20	CDCD	
COc1cccc(CN[C@H]2C[C@@H]3CCCCN3C2=O)c1O	835075130	VTSQJZXWEINURO-STQMWFEESA-N	290.363	1.644	10	20	CDCD	
C[C@H](N[C@@H]1COC[C@@H]1C)c1cc([N+](=O)[O-])ccc1O	903394561	DFECEXMRSWCEIH-HOTUBEGUSA-N	266.297	1.986	10	20	CDCD	
CNC(=O)C[C@@H](C)N[C@@H](C)c1cc(C(=O)OC)ccc1O	834898623	ABICIMYAIKHBJW-ZJUUUORDSA-N	294.351	1.354	10	20	CDCD	
Cc1ccc(C(=O)OCCn2ccccc2=O)c(O)c1O	733476363	OUMXFOBUQXUWPF-UHFFFAOYSA-N	289.287	1.425	10	20	CDCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(C)(C)C(=O)O	833694749	BYZXEADLNHUFPG-UHFFFAOYSA-N	292.379	1.818	10	20	CDCD	
CC(C)OC(=O)CCNC(=O)NCc1ccccc1O	748461528	YXBARELMBSQEJK-UHFFFAOYSA-N	280.324	1.533	10	20	CDCD	
C[C@]1(CCC(=O)NCc2ccc(O)cc2O)CCC(=O)N1	910950280	VILLWYIBVFPQGF-HNNXBMFYSA-N	292.335	1.163	10	20	CDCD	
CCOC(=O)NCCc1nc(Cc2ccc(N)cc2)no1	843159311	OTSHENNNWSGHEV-UHFFFAOYSA-N	290.323	1.531	10	20	CDCD	
COc1cccc([C@@H](C)N[C@@H]2CC(=O)N(C3CC3)C2)c1O	846154541	NSVDKMJLAHWSEQ-GHMZBOCLSA-N	290.363	1.815	10	20	CDCD	
C[C@@H](NC(=O)[C@H]1[C@H]2C(=O)CC[C@H]21)c1ccccc1O	913763693	OICHAQZJKUVSNW-KNJXUWEQSA-N	259.305	1.795	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1[C@@H]2CNC[C@@H]21	841999750	JIQRORNYVDOLBV-FICVDOATSA-N	288.395	1.112	10	20	CDCD	
Cc1ccc(C(=O)OCc2cc3n(n2)CCC3)c(O)c1O	845110119	QXTPJFJSDQAYJN-UHFFFAOYSA-N	288.303	1.906	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N(C)[C@@H](C)CCO	844990568	MMQURBOYYONEMK-ZDUSSCGKSA-N	293.411	1.973	10	20	CDCD	
CO[C@H]1CCN(C(=O)NCCc2ccc(N)cc2)C[C@@H]1C	841956274	ZZZJFFJETKWYJQ-WFASDCNBSA-N	291.395	1.878	10	20	CDCD	
COC(=O)[C@]1(C)CCCN1C(=O)Cc1ccc(N)cc1	843490343	SGKYCWCCEGOBBQ-HNNXBMFYSA-N	276.336	1.365	10	20	CDCD	
NCCCCCCNCc1cc2c(cc1O)OCO2	843128622	YMTVWXAADCISAN-UHFFFAOYSA-N	266.341	1.730	10	20	CDCD	
CN1CC[C@H]1CNC(=O)NCc1cc(Cl)ccc1O	925431607	XSTKOBYVXJVCOO-NSHDSACASA-N	283.759	1.549	10	20	CDCD	
COCC1(NC(=O)C(=O)Nc2ccc(N)cc2)CCCC1	850832276	OVLPBQYFPPMAJY-UHFFFAOYSA-N	291.351	1.283	10	20	CDCD	
CCCNC(=O)CNCc1cc(F)c(N(C)C)cc1F	858087742	KDGISQAUNFEVGB-UHFFFAOYSA-N	285.338	1.647	10	20	CDCD	
CC(=O)N[C@@](C)(C(=O)NCc1ccccc1O)C(C)C	934935617	LCCJHVBUPJDIKI-OAHLLOKOSA-N	278.352	1.559	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)CCc2cncn2C)c1	862757590	ZGZUFKNDNAMNOZ-UHFFFAOYSA-N	273.336	1.683	10	20	CDCD	
O[C@H]1CN(Cc2ccc(N3CCCCC3)cc2)C[C@@H]1O	862446076	OUYTYOGSOZBEDM-HOTGVXAUSA-N	276.380	1.214	10	20	CDCD	
CN(C(=O)/C=C\c1ccc(O)c(O)c1)[C@@H]1CCCC[C@H]1O	869922280	BPPJFNZSYZUQGO-JKOXKOMZSA-N	291.347	1.873	10	20	CDCD	
CCOc1ccc(CN(C)[C@@]2(CO)CCOC2)c(O)c1	862427132	UDSZFQPRRUSFPJ-OAHLLOKOSA-N	281.352	1.374	10	20	CDCD	
C[C@H](NC(=O)C(C)(C)C(N)=O)c1ccc(N(C)C)cc1	768005211	UKAAKUJSMFXXPW-JTQLQIEISA-N	277.368	1.441	10	20	CDCD	
Cc1nn(C)c(C(=O)NCc2ccccc2O)c1[N+](=O)[O-]	769366412	ZRAMMDOVOJTNGX-UHFFFAOYSA-N	290.279	1.272	10	20	CDCD	
Nc1ccc(OCc2cn(CCCCCCO)nn2)cc1	864628959	VCDRPGBPNPQFJS-UHFFFAOYSA-N	290.367	1.992	10	20	CDCD	
C[C@@H](C(=O)N[C@H](C)c1ccc(N(C)C)cc1)n1cncn1	773008611	HNBZUFRNYAPPJD-NEPJUHHUSA-N	287.367	1.783	10	20	CDCD	
O=C1N[C@@H](c2ccc(O)c(O)c2)N2CCc3ccccc3[C@@H]12	877855852	KXWCMUYNWJLOLY-JKSUJKDBSA-N	296.326	1.826	10	20	CDCD	
COC[C@H](CNC(=O)N[C@H](C)c1ccccc1O)OC	875474910	IHNFMHMXYIXPQW-MNOVXSKESA-N	282.340	1.414	10	20	CDCD	
C[C@H](NS(=O)(=O)c1cnc[nH]1)c1ccc(N(C)C)cc1	773083759	HXFPTOAHFQTWIT-JTQLQIEISA-N	294.380	1.515	10	20	CDCD	
C[C@H](O)CN(C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	776250569	VUIRJDWYJISJRY-RYUDHWBXSA-N	279.384	1.836	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@@H]2CCO[C@@H](C)C2)c1	776475990	ITASSHUCPZETGI-WDEREUQCSA-N	279.336	1.832	10	20	CDCD	
COC(=O)[C@@H]1CSCCN1Cc1ccc(N(C)C)cc1	887077106	DQBXFVYFNILELP-AWEZNQCLSA-N	294.420	1.843	10	20	CDCD	
CCN1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)C[C@@H]1C	779542255	OBMMSNUZEMBFBU-HWPRWLFBSA-N	290.363	1.664	10	20	CDCD	
CC(C)[C@@H](N)CNC(=O)N[C@H](C)c1ccccc1O	892019502	QIZHYHFZVUSPAT-PWSUYJOCSA-N	265.357	1.736	10	20	CDCD	
CCO[C@@H]1C[C@H](NCc2cc(C)ccc2O)[C@H]1OC	895581824	SSRHXIZNGIWGIZ-NWANDNLSSA-N	265.353	1.983	10	20	CDCD	
COc1cc(C)cc(CN[C@@H]2CCS(=O)(=O)[C@@H]2C)c1O	895401801	CDWNMOVEGBQDTA-ZYHUDNBSSA-N	299.392	1.374	10	20	CDCD	
CN1C(=O)/C(=C/c2cnnn2C)c2cc(Cl)ccc21	799501596	JFAHPNSRHJJJCW-IZZDOVSWSA-N	274.711	1.986	10	20	CDCD	
COCC[C@@H](CO)N[C@H](C)c1cc(F)cc(F)c1O	798940138	AOCPCIOHNFBHBI-SCZZXKLOSA-N	275.295	1.718	10	20	CDCD	
Cc1ncc(C(=O)NCCc2ccc(N)cc2)n1C	1341239889	CYDQVCXRYADEJO-UHFFFAOYSA-N	258.325	1.283	10	20	CDCD	
C[C@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)CCN1	222184912	YMRQZOXSPGFXQR-LBPRGKRZSA-N	276.384	1.256	10	20	CDCD	
c1cnn(CCCNCc2ccc3c(c2)CCO3)c1	67186310	YWYXJIDGXBEJSE-UHFFFAOYSA-N	257.337	1.998	10	20	CDCD	
C[C@@H](NC(=O)NCc1ccc(N)cc1)c1cnn(C)c1	1336038546	ZMKGNJFBLPENEC-SNVBAGLBSA-N	273.340	1.563	10	20	CDCD	
O=C(NC[C@H]1CCCN1CCCO)c1cc(O)cs1	1334404844	JQPIEEVJIMQTFP-SNVBAGLBSA-N	284.381	1.030	10	20	CDCD	
O=C(NCc1cccc(O)c1O)C1(c2ccccn2)CC1	1347541222	DTBCAQOIONSWGJ-UHFFFAOYSA-N	284.315	1.841	10	20	CDCD	
Nc1ccc(CNC(=O)CC[C@H]2CCCNC2)cc1	1524009740	VDKJHPHHYVKARK-GFCCVEGCSA-N	261.369	1.665	10	20	CDCD	
C[C@@H](NC(=O)[C@@H]1NC(C)(C)O[C@@H]1C)c1ccccc1O	1576900834	XDKPOMFSHCQPMQ-GIPNMCIBSA-N	278.352	1.682	10	20	CDCD	
NC[C@H]1C[C@H]2CC[C@H]1N(C(=O)Cc1ccc(O)c(O)c1)C2	1580257252	FZLABLSORVDZND-JHJVBQTASA-N	290.363	1.226	10	20	CDCD	
COc1ccc2c(c1)CCCN2Cn1cnc(C(=O)O)n1	1599628340	OFQADXQKDORKBJ-UHFFFAOYSA-N	288.307	1.395	10	20	CDCD	
CN(C)c1ccc(/C=C\CNC[C@](C)(O)C(=O)O)cc1	1593709164	YFDFSXHZFIUPKS-XVWMLYKFSA-N	278.352	1.191	10	20	CDCD	
Nc1ccc(CNC(=O)c2cn(C3CC3)nn2)cc1	859593711	JCXWITLXQUJIGZ-UHFFFAOYSA-N	257.297	1.125	10	20	CDCD	
C[C@H](O)C[C@H]1CCCCN1C(=O)c1cccc(O)c1O	126644545	FBUNEXTZTWHNLG-WDEREUQCSA-N	279.336	1.863	10	20	CDCD	
COc1cc(Cl)cc(CNC[C@]2(O)CCOC2)c1O	184710565	LGRBPFKFAWODMV-CYBMUJFWSA-N	287.743	1.295	10	20	CDCD	
C[C@@H](C[S@@](C)=O)NCc1cc(F)cc(F)c1O	708494377	HRYCXVOHZHBIAY-BWKAKNAASA-N	263.309	1.527	10	20	CDCD	
CN(CCN1CCOCC1)Cc1ccccc1O	171936889	YSONXDPKMKUAMB-UHFFFAOYSA-N	250.342	1.156	10	20	CDCD	
COc1cccc(CNC(=O)CC[C@@H]2CCCO2)c1O	68489109	IXOFSEVZQFGHIX-LBPRGKRZSA-N	279.336	1.976	10	20	CDCD	
CO[C@H](C)[C@H](NCc1ccc2c(c1)CCCO2)C(=O)O	1352146683	HFOQJVJOQXLXDG-YGRLFVJLSA-N	279.336	1.589	10	20	CDCD	
CC[C@H]1CN(C(=O)c2cccc(O)c2O)CCCO1	281559289	KVAOXFXNNARZIB-JTQLQIEISA-N	265.309	1.739	10	20	CDCD	
COCC[C@](C)(O)CN[C@H](C)c1ccccc1O	183516275	ABVFVJWWPODVMB-RISCZKNCSA-N	253.342	1.830	10	20	CDCD	
Cc1ccc(C(=O)N2CCC[C@H]2C(C)(C)O)c(O)c1O	182856243	LQDKILDEVICXKC-NSHDSACASA-N	279.336	1.782	10	20	CDCD	
C[C@@H](NC(=O)NCc1ccc(N(C)C)cc1)c1nc[nH]n1	180815368	VJCJGPUIJDZGIS-SNVBAGLBSA-N	288.355	1.431	10	20	CDCD	
COCC(C)(C)NCc1cc(OC)c(OC)cc1O	181854211	CMBGGRYGJAHVEP-UHFFFAOYSA-N	269.341	1.924	10	20	CDCD	
COc1cccc(CN2CC[C@H](N)C[C@@H]2C)c1O	131530557	IPHRYQWKUFXVGB-JQWIXIFHSA-N	250.342	1.712	10	20	CDCD	
O=C(c1cccc(O)c1O)N(CCO)C1CCC1	222151927	FDZBENCOKSRKSP-UHFFFAOYSA-N	251.282	1.085	10	20	CDCD	
CCOC(=O)[C@H](C)NCc1cc(OC)ccc1O	49369211	BZRZXTWKICUQEO-VIFPVBQESA-N	253.298	1.442	10	20	CDCD	
COC[C@H](CNCc1cc(Cl)ccc1O)OC	227705619	MIIKOQAGUHAMOA-NSHDSACASA-N	259.733	1.797	10	20	CDCD	
C[C@@H]1COCCN1Cc1ccc(N2CCOCC2)c(F)c1	91814872	HBWRCZHOTPDBCM-CYBMUJFWSA-N	294.370	1.883	10	20	CDCD	
COc1cc(Cl)cc(CNC[C@@H]2COCCN2)c1O	530182322	TYOBMVIXYVZPHY-LLVKDONJSA-N	286.759	1.132	10	20	CDCD	
Cc1ccc(C(=O)NC2CC(F)(F)C2)c(O)c1O	277471705	HGCUAUQFDUEQGM-UHFFFAOYSA-N	257.236	1.934	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNC[C@@H]2CCOC2)c1O	278935118	WVBLPUZXIWTTEC-VIFPVBQESA-N	282.296	1.435	10	20	CDCD	
CNC(=O)C[C@@H](C)NCc1ccc(N2CCOCC2)cc1	299161408	LCDBOPNQRVHQBZ-CYBMUJFWSA-N	291.395	1.137	10	20	CDCD	
CCCCN(Cc1ccccc1O)[C@H]1CCC(=O)NC1=O	801599346	KQTDFPHZWRXUCH-ZDUSSCGKSA-N	290.363	1.800	10	20	CDCD	
O=C(CNCC1CC1)NCCCSc1nccs1	829528043	JPKPIYHSMUWJPK-UHFFFAOYSA-N	285.438	1.741	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@]2(C)CCNC2)c1	828666195	BOVFGMVJAZILBK-MEBBXXQBSA-N	278.352	1.578	10	20	CDCD	
CCOC(=O)[C@H]1CCCN(C(=O)c2cc(O)cs2)C1	731866781	XXKNICIEGUGBRB-VIFPVBQESA-N	283.349	1.869	10	20	CDCD	
Cn1cc(NC(=O)/C=C\c2ccc(O)c(O)c2)cn1	588404300	IPXRFHIJPZIFHC-HYXAFXHYSA-N	259.265	1.483	10	20	CDCD	
COc1ccc(O)c(CNC(=O)NC[C@@]2(C)CCOC2)c1	734068690	GCNCEJYQYBBKMZ-OAHLLOKOSA-N	294.351	1.627	10	20	CDCD	
O=C(/C=C/[C@@H]1CCOC1)OCC(=O)c1ccc(O)c(O)c1	838049432	MQQCPCDJEUGPMT-YEQXMLPJSA-N	292.287	1.416	10	20	CDCD	
C[C@@H](NC(=O)[C@@H]1CCCN1C=O)c1ccc(N(C)C)cc1	832431804	VFUSRBBRKCTSJD-DOMZBBRYSA-N	289.379	1.551	10	20	CDCD	
CCN1C(=O)C(C)(C)N[C@H]1c1cccc(O)c1O	840834545	YSFHJQTXLBTEPD-LLVKDONJSA-N	250.298	1.327	10	20	CDCD	
C[C@H]1COCCN1CCNC(=O)Nc1ccc(N)cc1	841300783	UUOOAYSIHKHNEW-NSHDSACASA-N	278.356	1.111	10	20	CDCD	
CCOC1CC(O)(CNCc2cccc(CC)c2O)C1	848907062	HVTVYYOCSMYLHM-UHFFFAOYSA-N	279.380	1.974	10	20	CDCD	
Nc1ccc(CCNC(=O)N[C@@H]2CCC[C@@H]2CCO)cc1	841883754	ZVWGCIHJNIQPKI-UKRRQHHQSA-N	291.395	1.662	10	20	CDCD	
CN(C)c1ccc([C@@H](N)CNCc2cnn(C)c2)cc1	841040244	JQJLNRWYBHWWEQ-HNNXBMFYSA-N	273.384	1.276	10	20	CDCD	
CCC[C@H](O)[C@@H](CO)NCc1ccc2c(c1)CCO2	842226939	QTEBDWVJZMMORQ-KGLIPLIRSA-N	265.353	1.233	10	20	CDCD	
C/C=C\C[C@H](CO)NC(=O)NCCc1ccc(N)cc1	841958615	HDXVTYWXSFKKLM-PYLYLYNFSA-N	277.368	1.438	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1C[C@H]2C[C@]2(CO)C1	840940310	XAXKSZVCIBORPY-GDBMZVCRSA-N	260.381	1.875	10	20	CDCD	
CCc1cccc(CN(CC)CCOCCO)c1O	848909014	IGXLZSYJZPNHFZ-UHFFFAOYSA-N	267.369	1.785	10	20	CDCD	
Nc1ccc(CCNC(=O)NC[C@H]2CCCCO2)cc1	841739791	HVDKUOSKDCCRHV-CQSZACIVSA-N	277.368	1.680	10	20	CDCD	
COCC(=O)Nc1c(-c2ccccn2)nc2ccccn12	751303108	TZXVIWDJOWMKOF-UHFFFAOYSA-N	282.303	1.981	10	20	CDCD	
CC[S@](C)(=O)=NC(=O)/C=C\c1ccc(O)c(O)c1	925833886	LJSZZWZJJCNUAY-YEODSOHDSA-N	269.322	1.755	10	20	CDCD	
O=C(NCc1ccccc1O)[C@@H]1CCn2cncc2C1	750924462	SKWMYSRNPZDTDK-LLVKDONJSA-N	271.320	1.468	10	20	CDCD	
COC[C@H]1CCCN1NC(=O)c1ccc(C)c(O)c1O	862594452	FKINORQUSZJOLR-SNVBAGLBSA-N	280.324	1.162	10	20	CDCD	
COCC(C)(C)C(=O)NCc1cc(C)ccc1O	862757881	HOGMQLDVNBTDJB-UHFFFAOYSA-N	251.326	1.989	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C1(F)CCOCC1	867302324	NVFZPPOMRQTILA-JTQLQIEISA-N	297.326	1.664	10	20	CDCD	
C[C@@H]1CCN2[C@@H](c3cccc(F)c3O)NC(=O)[C@H]2C1	777901417	XIPIYTIGEFTEIT-DYLAAIIWSA-N	264.300	1.760	10	20	CDCD	
C[C@@H](NC(=O)N1CC[C@](C)(O)C1)c1ccc(N(C)C)cc1	776250213	SOUCYTJXKWYBRQ-WBMJQRKESA-N	291.395	1.980	10	20	CDCD	
CCc1c(C(=O)NCc2ccc(O)c(O)c2)cnn1C	778917848	JXIOMHJGOZCPID-UHFFFAOYSA-N	275.308	1.324	10	20	CDCD	
COCCOC[C@@H](C)NCc1cc(F)cc(F)c1O	883019086	ZRNKLESOXQBMQH-SECBINFHSA-N	275.295	1.812	10	20	CDCD	
CC[C@@H](F)C(=O)NC[C@H](N)c1ccc(N(C)C)cc1	1121809521	FURSUDSGXUBSHV-OLZOCXBDSA-N	267.348	1.617	10	20	CDCD	
CCOc1ccc(CN2C[C@H](O)C[C@@]2(C)CO)c(O)c1	895329871	KGJHJXTUHJSXBG-DOMZBBRYSA-N	281.352	1.109	10	20	CDCD	
COc1ccc(O)c(CN2[C@H](C)C(=O)N[C@@H](C)[C@H]2C)c1	895119136	VSKCZFRGGHMGAO-HBNTYKKESA-N	278.352	1.498	10	20	CDCD	
C[C@@H]1CO[C@@H](CO)CN1Cc1cc(F)cc(F)c1O	894095425	QIKURFMDCPROAV-LDYMZIIASA-N	273.279	1.252	10	20	CDCD	
COc1cc(O)c(CNCCO[C@@H]2CCOC2)cc1OC	897201343	IZTSGVJOTOALBU-GFCCVEGCSA-N	297.351	1.305	10	20	CDCD	
C[C@H]1CN(C)C(=O)CN1Cc1cc(Cl)ccc1O	783734587	UJPORJSCLMWPJD-VIFPVBQESA-N	268.744	1.708	10	20	CDCD	
CCNCC1CC(NC(=O)c2cc(OC)nc(OC)c2)C1	962035861	CXBVEIXLIGSRQU-UHFFFAOYSA-N	293.367	1.217	10	20	CDCD	
COC(=O)[C@](C)(CO)NCc1cc(C)c(C)cc1O	894975388	MHEAQIFXXFCWFF-AWEZNQCLSA-N	267.325	1.023	10	20	CDCD	
CNS(=O)(=O)N(Cc1ccccc1O)C1CCCCC1	795852195	WZMAKOVYWUZMHI-UHFFFAOYSA-N	298.408	1.991	10	20	CDCD	
Cc1cc(C)c(O)c(CN2CC[C@@](C)(C(N)=O)C2)c1	794709220	DWWSZSWECBAXJV-OAHLLOKOSA-N	262.353	1.706	10	20	CDCD	
COC[C@H](CCO)NCc1c(O)ccc(Cl)c1F	790967201	GYXCPCKHYRRYPG-QMMMGPOBSA-N	277.723	1.672	10	20	CDCD	
CCOC(=O)c1cc2ccc(O)c(O)c2oc1=O	38219057	ZBYULKPIMFEKAT-UHFFFAOYSA-N	250.206	1.381	10	20	CDCD	
CN(Cc1cc(C(=O)O)no1)Cc1ccccc1O	1598506573	FUBRIPUWYZEPPE-UHFFFAOYSA-N	262.265	1.710	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCOC[C@H]1C1CC1	187211844	AIHKYLUOSZKWDP-NSHDSACASA-N	263.293	1.349	10	20	CDCD	
CCCN(Cc1ccccc1O)c1nnnn1CC	1332480344	UDUZWBCCLXDMJD-UHFFFAOYSA-N	261.329	1.815	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)C(=O)NC1CC(F)(F)C1	1346424095	OEMRSVBMWQXMPA-UHFFFAOYSA-N	298.289	1.265	10	20	CDCD	
O=C(O)C1=NO[C@@]2(CCN(Cc3cc(F)ccc3O)C2)C1	1601746459	IAOSKKIJRKPSTR-AWEZNQCLSA-N	294.282	1.337	10	20	CDCD	
CCOc1ccc(CN2CCC[C@@H](O)[C@H]2C(=O)O)c(O)c1	1597102330	VXVGNXVDUOURPI-OCCSQVGLSA-N	295.335	1.201	10	20	CDCD	
COc1cccc(CN2CCO[C@@H](CF)C2)c1O	840955003	PRBWXMSQGHCYDO-NSHDSACASA-N	255.289	1.571	10	20	CDCD	
CC(=O)c1cc(Cl)cc(CN2CC[C@H]2CO)c1O	934027827	RZSPQNCKHXBNSO-NSHDSACASA-N	269.728	1.815	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCN(CC2CC2)CC1	126289886	XZYWCTPQMMUAMU-UHFFFAOYSA-N	276.336	1.266	10	20	CDCD	
COc1ccc(O)c([C@@H](C)N[C@@H](C)c2nncn2C)c1	37017191	KJIOKISTMGKAPT-ZJUUUORDSA-N	276.340	1.941	10	20	CDCD	
CCCN(C(=O)Cc1ccc(N)cc1)[C@H]1CCNC1	178891192	HAFDASSWIYOKEO-AWEZNQCLSA-N	261.369	1.412	10	20	CDCD	
C[C@H]1[C@@H](NCc2ccccc2O)CCS1(=O)=O	293929698	NKVSBSNQZWMHDP-ONGXEEELSA-N	255.339	1.057	10	20	CDCD	
CCC(O)(CC)CN(C)C(=O)c1cccc(O)c1O	706413014	CTHYZHJBJYYUKL-UHFFFAOYSA-N	267.325	1.721	10	20	CDCD	
C[C@@]1(C(N)=O)CCN(Cc2cc(F)cc(F)c2O)C1	708397268	AMDKDLQSZMSBFX-CYBMUJFWSA-N	270.279	1.368	10	20	CDCD	
CS(=O)(=O)c1ccc(=NCc2ccccc2O)[nH]c1	388869766	BKHOJOUJZONNNE-UHFFFAOYSA-N	278.333	1.225	10	20	CDCD	
CN(C)CC1(NC(=O)Nc2ccc(N)cc2)CCC1	393506669	CLTDAZJVFJWCTG-UHFFFAOYSA-N	262.357	1.875	10	20	CDCD	
CCNC(=O)[C@H](C)N[C@@H](CC)c1ccccc1O	36794783	SYKQWUHCGZPJKY-JQWIXIFHSA-N	250.342	1.958	10	20	CDCD	
CC[C@H](NCCS(C)(=O)=O)c1ccccc1O	37740457	NUWYVWYBPPOXDL-NSHDSACASA-N	257.355	1.478	10	20	CDCD	
CN(Cc1c(O)cccc1Cl)CC(C)(CO)CO	128061808	VRXWSUKKIDSQLJ-UHFFFAOYSA-N	273.760	1.468	10	20	CDCD	
C[C@H]1[C@@H](C)N(Cc2cc3c(cc2O)OCO3)CC[S@@]1=O	76682383	OHNCEXLXYUDQNC-ZJNREGCTSA-N	297.376	1.462	10	20	CDCD	
O=C(CSc1nncn1C1CC1)c1ccc(O)c(O)c1	73328020	YJWAOUZZXRGHSO-UHFFFAOYSA-N	291.332	1.999	10	20	CDCD	
COC(=O)[C@H](C)NCc1cccc(Br)c1O	42412105	WVADXZZJMFJJSG-ZETCQYMHSA-N	288.141	1.806	10	20	CDCD	
C[C@@H](CS(C)(=O)=O)NCc1c(O)cccc1Cl	83552731	YVWWAUABLPBKCO-QMMMGPOBSA-N	277.773	1.568	10	20	CDCD	
C[C@@H]1[C@@H](C)S(=O)(=O)CCN1Cc1ccc(N(C)C)cc1	93559166	SURXIZYUIMURHI-CHWSQXEVSA-N	296.436	1.760	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CCn2nccc21	367499020	YRDQXQRNBGNMTH-DUXPYHPUSA-N	271.276	1.354	10	20	CDCD	
Cc1cc(O)c(CN2CCNC(=O)C[C@@H]2C)cc1C	368137215	YFFUGUBAQFSHNQ-LBPRGKRZSA-N	262.353	1.719	10	20	CDCD	
CC(=O)C(=O)CSc1nnnn1-c1cccc(C)c1	289575643	IFYNQGHXBIVCKA-UHFFFAOYSA-N	276.321	1.221	10	20	CDCD	
Cc1ccc(O)c(CNC[C@H](CO)[C@H]2CCOC2)c1	280305115	NYXFYEVFMVBJKY-GXTWGEPZSA-N	265.353	1.435	10	20	CDCD	
CCCOc1ccc(CN(C)CCCO)c(O)c1	281679380	FAMCTGJUCBDGCN-UHFFFAOYSA-N	253.342	1.995	10	20	CDCD	
C[C@H](NC[C@H]1CC[C@@H](CO)O1)c1ccc(F)c(F)c1O	294522046	ZHQQZJIXDFANPW-AEJSXWLSSA-N	287.306	1.861	10	20	CDCD	
COC[C@@]1(C(=O)OC)CCN(Cc2cccc(C)c2O)C1	295120424	WMSJPHAKWQMIQD-MRXNPFEDSA-N	293.363	1.712	10	20	CDCD	
CCC[C@@H](C)C(=O)NCCNC(=O)c1cccc(O)c1O	294226829	YTOROEYXBPEMJB-SNVBAGLBSA-N	294.351	1.380	10	20	CDCD	
COc1ccc(N(C)CCN2CCNC2=O)cc1OC	808713251	MJWDFCXUJJHDDB-UHFFFAOYSA-N	279.340	1.165	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)CNC(=O)C2CC2)c1	728978306	OPLVTPTVSHJRGL-VIFPVBQESA-N	292.335	1.104	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)CN(C)C(C)=O)c1	728982357	LNTRJIKPRLAEOH-SECBINFHSA-N	280.324	1.056	10	20	CDCD	
CONC(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1	823725901	KCUNAXKIMAKQGG-NSHDSACASA-N	279.340	1.382	10	20	CDCD	
Oc1ccccc1CN1CCC[C@@H](n2ccnn2)C1	822503334	GIEYHEWFZZZLRY-CYBMUJFWSA-N	258.325	1.821	10	20	CDCD	
CC[C@H](C)NC(=O)COC(=O)c1ccc(C)c(O)c1O	727005737	VWOVHILUWFWJGZ-VIFPVBQESA-N	281.308	1.478	10	20	CDCD	
COC[C@@H](OC)C(=O)NCc1ccc(N(C)C)c(F)c1	824669609	OFOMGCPAIGJMQX-CYBMUJFWSA-N	284.331	1.169	10	20	CDCD	
CN(CC(=O)O)Cc1cc(C(C)(C)C)cc(O)c1O	739632030	LWESOXAAQOHKHS-UHFFFAOYSA-N	267.325	1.912	10	20	CDCD	
COC(=O)N1CCC[C@H](NC(=O)c2cc(O)cs2)C1	732283045	WCAVZMUYIKUPBI-QMMMGPOBSA-N	284.337	1.414	10	20	CDCD	
C[C@@H]1C[C@@H](NC(=O)c2cccc(O)c2O)c2nccn21	836960086	OZORRPHMXPCUBN-PSASIEDQSA-N	273.292	1.730	10	20	CDCD	
CO[C@H](CN)CC(=O)NCc1c(O)ccc2c1CCCC2	830597493	LEJLQPIEXFNXHR-LBPRGKRZSA-N	292.379	1.251	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)Nc2ncn(C)n2)c1	836663036	DOUIPBPCHGEMNX-QMMMGPOBSA-N	291.311	1.412	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)[C@@H]1C[C@@]12CCOC2	910947871	PWXHVEFXPOEWBQ-SMDDNHRTSA-N	263.293	1.141	10	20	CDCD	
COc1ccc(O)c([C@H](C)N[C@H](CO)CCF)c1	846097471	PILMMEXHLIZKMA-UWVGGRQHSA-N	257.305	1.772	10	20	CDCD	
CC(=O)CN(Cc1ccccc1O)C[C@H]1CCCO1	916645138	SHPJRPXVNDGCBO-CQSZACIVSA-N	263.337	1.962	10	20	CDCD	
C[C@H](NC(=O)N[C@H](C)CN)c1ccc(N(C)C)cc1	841881646	UCASCIIOKIVGPI-MNOVXSKESA-N	264.373	1.460	10	20	CDCD	
COC(=O)C[C@H](C)CC(=O)NCc1ccc(O)c(O)c1	847590663	DALXWGMSWWNXSK-SECBINFHSA-N	281.308	1.303	10	20	CDCD	
CCN1CCC[C@H]1CNC(=S)NCc1cccn1C	743061906	QITRVHLGVDZDAX-ZDUSSCGKSA-N	280.441	1.474	10	20	CDCD	
COC(=O)[C@@H]1CN(Cc2cccc(C)c2O)C[C@H](C)O1	846059346	AABBPRNXKVRMTP-AAEUAGOBSA-N	279.336	1.463	10	20	CDCD	
C[C@@H](NC(=O)c1cc(O)cs1)[C@H](O)C(F)(F)F	854921078	IHZSWMAJKOZUBI-FBCQKBJTSA-N	269.244	1.495	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)OC[C@@H]1CCOC1	759596874	WCUXUHPVHLAAON-CJHWANRJSA-N	264.277	1.691	10	20	CDCD	
Cc1[nH]nc(C(=O)NCc2cc(Cl)ccc2O)c1O	857547816	VDUYBZCZRIEPRD-UHFFFAOYSA-N	281.699	1.713	10	20	CDCD	
CCN(CC)c1ccc(CN(C)C[C@H](O)[C@@H](C)O)cc1	929185737	YEOXZYPRYBLPHX-CJNGLKHVSA-N	280.412	1.706	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)Cc1ccc(C(N)=O)cc1	754182600	OFEMMPWIOPGRCW-UHFFFAOYSA-N	298.342	1.692	10	20	CDCD	
CC[C@](C)(O)C(=O)N[C@@H](C)c1cc(OC)ccc1O	934940101	HYCXHMSHSWLMSY-XPTSAGLGSA-N	267.325	1.739	10	20	CDCD	
C[C@H]1CN(Cc2cc3c(cc2O)OCO3)CC[C@@H]1C(=O)O	863739665	NSLULIVNTAFNAM-ONGXEEELSA-N	293.319	1.664	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)C[C@@H]2COC(=O)C2)c1	862758214	SRKKXAKQIBYMQA-JTQLQIEISA-N	263.293	1.270	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNCc2cc(C)on2)c1O	774986634	SDJOARVLNSCOAR-UHFFFAOYSA-N	293.279	1.895	10	20	CDCD	
CC[C@H](NC[C@H](O)CN1CCCC1)c1ccccc1O	775413245	ZEUUXDXDQVOTSG-ZFWWWQNUSA-N	278.396	1.890	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCCC1	774206926	LRQRNUONIFRICM-UHFFFAOYSA-N	289.379	1.300	10	20	CDCD	
CCCOc1ccc(CNCCN2CC[C@@H](O)C2)cc1C	873149513	UXJRJUNLVCRSFD-MRXNPFEDSA-N	292.423	1.940	10	20	CDCD	
C[C@H](NC(=S)NCCN(C)C)c1ccc(N(C)C)cc1	774252914	XPJGUGQARBNDNT-LBPRGKRZSA-N	294.468	1.839	10	20	CDCD	
Cc1cccc(O)c1CN1CCN2CCOC[C@H]2C1	877331998	WLXVOZLDHKWTHR-CYBMUJFWSA-N	262.353	1.217	10	20	CDCD	
CN1CCN(c2ccc(CNC(=O)C(C)(F)F)cc2)CC1	881853515	YYVBDTGXLZEJLP-UHFFFAOYSA-N	297.349	1.710	10	20	CDCD	
CCC(=O)c1cn(Cc2ccc(N(C)C)cc2)nn1	881272068	KZWFXPXFUGMPBE-UHFFFAOYSA-N	258.325	1.985	10	20	CDCD	
C[C@H](O)C[C@@H](C)NC(=O)NCc1ccc(N(C)C)cc1	782912358	IOPBOQWKWHNGNL-NEPJUHHUSA-N	279.384	1.711	10	20	CDCD	
C[C@H]1CN(Cc2c(O)cccc2Cl)C[C@H](CO)O1	787418490	WQRMNMXXDLRWFN-VHSXEESVSA-N	271.744	1.627	10	20	CDCD	
CN(C)CCCOC(=O)/C=C\c1ccc(O)c(O)c1	792042858	ZWJSIBAQQSMHLW-ALCCZGGFSA-N	265.309	1.606	10	20	CDCD	
C[C@@H](NC(=O)c1cccc(O)c1O)[C@@H]1CCCCO1	279753101	CRYOPRWEZOKMKU-SKDRFNHKSA-N	265.309	1.785	10	20	CDCD	
C[C@H]1COC[C@H]1NCc1ccc(N2CCOCC2)cc1	829425461	AHCRSMMKRMYFBR-XJKSGUPXSA-N	276.380	1.648	10	20	CDCD	
COC(=O)[C@H]1CC(F)(F)CN1C(=O)c1cc(O)cs1	1328722213	TYYWSEXMHFGXNC-SSDOTTSWSA-N	291.275	1.477	10	20	CDCD	
Cc1cc(CNCc2cc3c(cc2O)OCO3)ncn1	756989871	IJDDBKALVAOCSW-UHFFFAOYSA-N	273.292	1.509	10	20	CDCD	
COc1cncc(S(=O)(=O)Nc2ccc(O)cc2F)c1	799124200	MWPHWMPMWJMLQK-UHFFFAOYSA-N	298.295	1.736	10	20	CDCD	
CO[C@H](C)[C@H](NCc1c(O)ccc(Cl)c1F)C(=O)O	1333892878	JBBXUTPDGNUSIJ-KBUNVGBDSA-N	291.706	1.762	10	20	CDCD	
C[C@H](CO)N(C)Cc1ccc(N2CCN(C)CC2)c(F)c1	1347223293	XVINBZPYBGPAGN-CYBMUJFWSA-N	295.402	1.390	10	20	CDCD	
Cc1ccc(C(=O)N[C@H]2CCCC[C@H]2C(=O)O)c(O)c1O	1607733330	HLXBTIIGXOZZHG-KOLCDFICSA-N	293.319	1.779	10	20	CDCD	
CCNCc1ccc(N2CCN(C)CC2)c(F)c1	34823179	ZCEJOPFFHFKRSJ-UHFFFAOYSA-N	251.349	1.687	10	20	CDCD	
C[C@H]1CCN(C(=O)c2cc(O)cs2)C[C@@H]1C(=O)O	1589348693	UOXLIMOAKSCULJ-CBAPKCEASA-N	269.322	1.637	10	20	CDCD	
C[C@H]1CCN(C(=O)c2cc(O)cs2)C[C@H]1C(=O)O	1589348731	UOXLIMOAKSCULJ-IONNQARKSA-N	269.322	1.637	10	20	CDCD	
C[C@@H](NCC[C@H](O)C(F)F)c1cc(C(=O)O)ccc1O	1593261110	KOMNAEVPVYDKQV-HQJQHLMTSA-N	289.278	1.757	10	20	CDCD	
CN1CCN(Cc2ccc(N(C)C)c(F)c2)CC1	154398531	BRKHAFAFYFDASR-UHFFFAOYSA-N	251.349	1.639	10	20	CDCD	
O=C1NCCC[C@H]1CNCc1ccc2c(c1)CCCO2	922180587	JDYQSIQUYOKAKO-AWEZNQCLSA-N	274.364	1.627	10	20	CDCD	
COc1ccc(CNC2(CO)CCOCC2)cc1C	227213805	JLTPKWMYSSNCBL-UHFFFAOYSA-N	265.353	1.635	10	20	CDCD	
CO[C@@]1(CNCc2cc3c(cc2O)OCO3)CCOC1	122880423	OVZHXFUBTYLCIE-CQSZACIVSA-N	281.308	1.016	10	20	CDCD	
O=C(NCCc1ccc(O)cc1)c1cccc(O)c1O	126277671	GJIYPMCTPZOLQU-UHFFFAOYSA-N	273.288	1.776	10	20	CDCD	
COc1cccc(CN2CCC[C@H](S(C)(=O)=O)C2)c1O	274090899	IKOCWLGVDQQXTN-LBPRGKRZSA-N	299.392	1.410	10	20	CDCD	
O=C(NC[C@H](C(=O)O)C1CCC1)c1cccc(O)c1O	697947376	JMYTUNLLUIYOMV-JTQLQIEISA-N	279.292	1.329	10	20	CDCD	
O=C(/C=C/c1ccc(N2CCOCC2)cc1)Nc1cn[nH]c1	108775935	SOLZYGUKVKWEQI-ZZXKWVIFSA-N	298.346	1.898	10	20	CDCD	
CC1CCN(c2ccc(CNC(=O)NCCO)cc2)CC1	108507815	DFXCCLHZPLIFAX-UHFFFAOYSA-N	291.395	1.714	10	20	CDCD	
CCOCCNC(=O)NCc1cc(OC)ccc1O	114586069	ADLHSQXIMSCIRF-UHFFFAOYSA-N	268.313	1.237	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CCc2nnc[nH]2)cc1F	176854913	YDEWLYOTAXAVJH-UHFFFAOYSA-N	291.330	1.259	10	20	CDCD	
Cc1ccc(C(=O)N2CCN(C(C)C)CC2)c(O)c1O	177670379	FJJZFMJBRQQTRF-UHFFFAOYSA-N	278.352	1.572	10	20	CDCD	
COc1ccc(O)c(CNC2CCC(O)CC2)c1	20089679	RBMHWWYRSJIRNF-UHFFFAOYSA-N	251.326	1.794	10	20	CDCD	
COc1ccc(O)c(CN2CCC[C@](C)(CO)C2)c1	305767339	HYJQEVBSTCNKJI-HNNXBMFYSA-N	265.353	1.995	10	20	CDCD	
COCCCC(=O)N[C@H](C)Cc1ccc(O)c(O)c1	183433103	LHECSXJWUPGKHU-SNVBAGLBSA-N	267.325	1.572	10	20	CDCD	
O=C(Nc1ccnc2ccnn12)c1cccc(O)c1O	193049331	CEPRPGPFSMMYMY-UHFFFAOYSA-N	270.248	1.393	10	20	CDCD	
COc1cccc(CNCCO[C@@H]2CCOC2)c1O	922939567	QQSYTQMLGZRANX-GFCCVEGCSA-N	267.325	1.296	10	20	CDCD	
CCN(Cc1cc(F)ccc1O)[C@@H]1CCS(=O)(=O)C1	179883348	XFOYARKEYWLXMM-GFCCVEGCSA-N	287.356	1.540	10	20	CDCD	
CN(C)C1(CNC(=O)/C=C/c2ccc(O)c(O)c2)CCC1	276067075	VTFBUXNXAMTLKB-FNORWQNLSA-N	290.363	1.712	10	20	CDCD	
COc1ccc(N(C)C[C@H](O)CN(C)C2CC2)cc1F	289292265	BGMWGKTUOAFWKA-CYBMUJFWSA-N	282.359	1.726	10	20	CDCD	
C[C@H](NCc1ccc2c(c1)CCO2)C(=O)NCCF	282687440	NWBZDNNEQFHLKP-JTQLQIEISA-N	266.316	1.185	10	20	CDCD	
CC[C@H](N[C@H](C)C(=O)NCCF)c1ccccc1O	281917016	AHFYRFLAICGNTD-PWSUYJOCSA-N	268.332	1.907	10	20	CDCD	
CCC(=O)N1CCCC[C@H]1C(=O)NCc1ccccc1O	299615784	YJZCWYFYIGKQMN-ZDUSSCGKSA-N	290.363	1.800	10	20	CDCD	
COc1cc(O)c(CN[C@H]2CC[C@@H](CO)C2)cc1OC	295053510	NQFORKYKLORBRV-PWSUYJOCSA-N	281.352	1.660	10	20	CDCD	
CCn1ccnc1C(=O)NCCc1ccc(O)c(O)c1	292172725	NUEWKOPEMYRDOD-UHFFFAOYSA-N	275.308	1.287	10	20	CDCD	
Cn1ncc(CCCN[C@@H]2CCc3cccc(O)c32)n1	297433343	VNOHNGLLGONNJS-CYBMUJFWSA-N	272.352	1.730	10	20	CDCD	
CN(C)c1ccc(CNC(=O)COCC(F)(F)F)cc1	298531508	ZZCNCKLJHPTPMQ-UHFFFAOYSA-N	290.285	1.948	10	20	CDCD	
CN(C)CCN(CCN(C)C)Cc1cc(Cl)ccc1O	809741547	PLJWKSXXGYDIFX-UHFFFAOYSA-N	299.846	1.971	10	20	CDCD	
Cc1cc(C(=O)N[C@H]2[C@@H]3CNC[C@@H]32)c(C)n1-c1ccccn1	295162404	DYSYIEOANWAJBH-FOLVSLTJSA-N	296.374	1.437	10	20	CDCD	
COc1ccc(CCC(=O)OCC(=O)C(C)=O)cc1F	808492661	AJFOSYYMRODNKJ-UHFFFAOYSA-N	282.267	1.468	10	20	CDCD	
CC[C@H](NCc1ccc([N+](=O)[O-])c(OC)c1O)[C@@H](C)O	824921536	MTDCTGUUQWBZEK-SCZZXKLOSA-N	284.312	1.558	10	20	CDCD	
Cn1ccnc1N1CCN(Cc2ccccc2O)CC1	827891246	FFRQDVCKDOWZSG-UHFFFAOYSA-N	272.352	1.448	10	20	CDCD	
COc1cccc(CN2CC[C@@H](N3CCOC3=O)C2)c1O	826995116	QSOYWVNIOOJUFI-GFCCVEGCSA-N	292.335	1.427	10	20	CDCD	
CN(C)c1ccc([C@@H](CNCC[N+](=O)[O-])N(C)C)cc1	905706454	VCJMPJGXAHOINC-CQSZACIVSA-N	280.372	1.222	10	20	CDCD	
COc1ncc(/C=C/C(=O)N2CCOc3ccncc32)cn1	492690598	VKQCXUCMZUNTCC-NSCUHMNNSA-N	298.302	1.319	10	20	CDCD	
CCOC[C@@H](O)CN1CCCc2cc(OC)cc(OC)c21	839656144	IFSXPNCYDZXUMF-ZDUSSCGKSA-N	295.379	1.854	10	20	CDCD	
NC(=O)Nc1ccc(CNC(=O)c2cc(O)cs2)cc1	732265783	HPDQAMLCQZWOQS-UHFFFAOYSA-N	291.332	1.874	10	20	CDCD	
Cn1c(Cl)cnc1CNC(=O)c1cc(O)cs1	732282053	IPSDYLZPUMVYPG-UHFFFAOYSA-N	271.729	1.771	10	20	CDCD	
CCOCCO[C@@H](C)C(=O)NCc1cc(OC)ccc1O	734015438	JVMICZAVZRNPEZ-NSHDSACASA-N	297.351	1.459	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)[C@@H]1CCSC1	910951561	UBLNYOOJLTWSBY-SECBINFHSA-N	253.323	1.467	10	20	CDCD	
COc1ccc(N(C)CCN(C)C(=O)C(C)(C)O)cc1	846442811	YZAATSGLASSGGD-UHFFFAOYSA-N	280.368	1.361	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCCCC[C@H]1CO	911950506	FMJWIMBGCPSDBL-VIFPVBQESA-N	255.339	1.831	10	20	CDCD	
COc1cccc([C@H](C)NCCCS(C)(=O)=O)c1O	846143661	FNSRHPAHNMKVAY-JTQLQIEISA-N	287.381	1.486	10	20	CDCD	
CN1CCC(NC[C@H](N)c2ccc(N(C)C)cc2)CC1	841045856	ROAIOGWVLHLGFL-INIZCTEOSA-N	276.428	1.436	10	20	CDCD	
CCONC(=O)CNCc1ccc(OC)c(C)c1	846091833	XAXVZVWHOFZURI-UHFFFAOYSA-N	252.314	1.161	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N(C)C2CC(N)C2)cc1F	841761252	OHRCZDFUUDWNPU-UHFFFAOYSA-N	294.374	1.523	10	20	CDCD	
COc1cccc(CNC(=O)c2c(CO)noc2C)c1O	847590019	QWWUCKFXRQDNSB-UHFFFAOYSA-N	292.291	1.120	10	20	CDCD	
CO[C@@H]1CCC[C@H]1CNC(=O)NCCc1ccc(N)cc1	841867201	LWYQDRYFXYTACR-DZGCQCFKSA-N	291.395	1.926	10	20	CDCD	
CC[C@@H]1CN(C)CCN1C(=O)c1cc(O)cs1	854666504	CBMSIKHBZDKLJV-SECBINFHSA-N	254.355	1.620	10	20	CDCD	
O=CN1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1O	855022647	DYLMWOBPYPJCLI-NSHDSACASA-N	282.727	1.283	10	20	CDCD	
Cc1nccn1CCCOC(=O)c1cccc(O)c1O	758556036	CWBNXHNMQQZYPR-UHFFFAOYSA-N	276.292	1.850	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)c2cnc3n2CCC3)c1	862754063	PVUVBQSZEMRHMO-UHFFFAOYSA-N	271.320	1.773	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)c2cn(C3CC3)nn2)c1	862753822	IHRMHROAUURREJ-UHFFFAOYSA-N	272.308	1.557	10	20	CDCD	
Cc1cccc(O)c1CN1CC[C@@H](NC(=O)NC2CC2)C1	877352934	MEFYXOXJJQQQDG-CYBMUJFWSA-N	289.379	1.737	10	20	CDCD	
CONC(=O)C1CCN(Cc2cc(Cl)ccc2O)CC1	877786238	AVXGKPHRVOKAQK-UHFFFAOYSA-N	298.770	1.935	10	20	CDCD	
CC(C)(C)n1cnc(C(=O)NCCc2ccc(N)cc2)n1	876528373	WEEKZWFYDMROHV-UHFFFAOYSA-N	287.367	1.588	10	20	CDCD	
Cc1ccc(CN2CCN(CC(C)(C)O)C[C@H]2C)c(O)c1	877458264	NVIRSQKNLFSHEU-CQSZACIVSA-N	292.423	1.978	10	20	CDCD	
CCn1nc(C)c(CNCc2ccc(C)cc2O)n1	877598144	JHJNAIVWWKGMHD-UHFFFAOYSA-N	260.341	1.910	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)CCNCC2CC2)c1	870881766	KZHVMNIZNPDCKO-LLVKDONJSA-N	292.379	1.968	10	20	CDCD	
C[C@H]1COCCN1CCNCc1ccc2c(c1)CCCO2	1119930652	BOTBLINKLAKVBV-AWEZNQCLSA-N	290.407	1.822	10	20	CDCD	
Cc1ccc(CN2C[C@H](N3CCOCC3)C[C@@H]2C)c(O)c1	877515977	AICAPHZSZHEQCR-GOEBONIOSA-N	290.407	1.996	10	20	CDCD	
CCCOc1ccc(CNC[C@]2(O)CCN(C)C2)cc1C	873107771	QICRSVPKJUOVKO-QGZVFWFLSA-N	292.423	1.940	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NCCc2cnccn2)cc1	774705901	ZUWLAOWHDBWFLD-UHFFFAOYSA-N	299.378	1.585	10	20	CDCD	
Cc1cc(Cn2cc(CON)nn2)ccc1N(C)C	881377641	RUCJROLPSISZGU-UHFFFAOYSA-N	261.329	1.091	10	20	CDCD	
Cc1cc(Cn2cc(Cn3ccnc3)nn2)ccc1N(C)C	881378396	OMMLWVOWWUWISQ-UHFFFAOYSA-N	296.378	1.946	10	20	CDCD	
CN(C)c1ccc(CN(C)[C@@]2(CO)CCOC2)cc1	785793121	FMNUESOWJYJSER-OAHLLOKOSA-N	264.369	1.336	10	20	CDCD	
COCc1cc(NCCc2ccc(O)c(O)c2)ncn1	782148624	GMXHMDBHCBXRKA-UHFFFAOYSA-N	275.308	1.689	10	20	CDCD	
CCN(CCCO)Cc1ccc(OC)c(OC)c1O	892110532	CKBUJXQSRDTVMQ-UHFFFAOYSA-N	269.341	1.614	10	20	CDCD	
COc1ccc(CN[C@H](C)Cn2cccn2)c(O)c1OC	892552730	BBMCAKMPEWOQIS-LLVKDONJSA-N	291.351	1.784	10	20	CDCD	
CCS(=O)(=O)CCNCc1cc(C)cc(OC)c1O	894219146	FQDHLIUQPHDITQ-UHFFFAOYSA-N	287.381	1.234	10	20	CDCD	
CC(C)OC(=O)CC[C@@H](C)NC(=O)c1cccc(O)c1O	792597050	FLQGWYADFFAAHD-SNVBAGLBSA-N	295.335	1.948	10	20	CDCD	
COC[C@@H](C)OC[C@H](O)CN(C)Cc1ccccc1O	278349053	MMYYSWUWWYNZIX-TZMCWYRMSA-N	283.368	1.236	10	20	CDCD	
CCN(C)C(=O)CN[C@@H](C)c1ccc(C)cc1O	186806689	ZBMQOGNLMHEKQD-NSHDSACASA-N	250.342	1.830	10	20	CDCD	
Cc1nc(CCNCc2cc(F)c(N(C)C)cc2F)n[nH]1	1329007981	FEHKHIJLPKIXPL-UHFFFAOYSA-N	295.337	1.790	10	20	CDCD	
OCC[C@@H]1CCC[C@@H]1NCc1cc2c(cc1O)OCO2	189933008	BBTNVYOUJFVZQZ-JQWIXIFHSA-N	279.336	1.762	10	20	CDCD	
Cc1cc(N[C@@H](C)Cc2ccc(O)c(O)c2)nc(CO)n1	1322483793	AULUCCFGLMPWAA-VIFPVBQESA-N	289.335	1.732	10	20	CDCD	
CON1CCC(NCc2cc3c(cc2O)OCO3)CC1	709346882	TVVRQKYOBKLRDX-UHFFFAOYSA-N	280.324	1.236	10	20	CDCD	
C[C@@H](NCCCN(C)S(C)(=O)=O)c1ccccc1O	692407165	JQSAUNLZRWIFOK-LLVKDONJSA-N	286.397	1.324	10	20	CDCD	
COC(=O)c1cnc(SC[C@@H]2CCC(=O)O2)s1	1333294410	ZSEAOUBPZMETAM-LURJTMIESA-N	273.335	1.727	10	20	CDCD	
CN(CCN1CCCC1)C(=O)NCc1ccc(N)cc1	1338792343	DNQVDCCPDGJAFR-UHFFFAOYSA-N	276.384	1.506	10	20	CDCD	
O=C(O)CC1(C(=O)NCc2c(O)cccc2O)CCC1	1606071453	AOVIACBPKCOGIS-UHFFFAOYSA-N	279.292	1.359	10	20	CDCD	
COc1ccc(O)c(CN[C@@H](C[C@H]2CCCO2)C(=O)O)c1	1607277801	VOPGTPKIYKGKNX-OLZOCXBDSA-N	295.335	1.513	10	20	CDCD	
Cc1ccc(/C=C\C(=O)N2CCCn3ncc(N)c32)cn1	1579679544	UEVSEPPMJOZNLB-WAYWQWQTSA-N	283.335	1.619	10	20	CDCD	
CC(=O)NC[C@H]1CCCCN1Cc1ccc(N)cc1	1575006633	OZUDAHSNVFLUDO-OAHLLOKOSA-N	261.369	1.759	10	20	CDCD	
COc1cccc(CNC(=O)[C@@H](N)C(C)(C)C)c1O	1574041301	FGRNDXZSDIKNCV-GFCCVEGCSA-N	266.341	1.390	10	20	CDCD	
Nc1ccc(CCNC(=O)[C@@H]2C[C@H]3CC(=O)[C@@H]2C3)cc1	1580443698	ZTODUUXCPNQAOH-IACUBPJLSA-N	272.348	1.543	10	20	CDCD	
C[C@@H](CC(=O)O)NC(=O)c1cc2cc(O)c(O)cc2s1	1589001705	UROBQKJMEZFXQS-LURJTMIESA-N	295.316	1.906	10	20	CDCD	
CN(Cc1ccccc1O)S(=O)(=O)CC1(C(=O)O)CC1	1598530529	JUBHVDQCOJCZGQ-UHFFFAOYSA-N	299.348	1.019	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)Nc1ncc(C(=O)O)cn1	1592881854	ACYWTJDDMLKFOO-MRVPVSSYSA-N	289.291	1.629	10	20	CDCD	
CCN(C)c1ccc(CN2C[C@@H](O)C[C@H]2C(=O)O)cc1	1596194350	KCIXXQRNSOWTPB-KBPBESRZSA-N	278.352	1.163	10	20	CDCD	
COc1ccc(CNc2ccc(-c3nn[nH]n3)nc2)c(O)c1	1591601333	LGRDNCACMXQOBC-UHFFFAOYSA-N	298.306	1.588	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C1(C(=O)O)CC1	836724200	OYCUMSLDXFQACC-UHFFFAOYSA-N	276.336	1.576	10	20	CDCD	
Nc1ccc(CC(=O)N[C@H]2CC[C@@H](CO)CC2)cc1	1122486171	UVZDGNPWBIZRGI-XBXGTLAGSA-N	262.353	1.479	10	20	CDCD	
COc1cccc(CNC2CCN(C(C)=O)CC2)c1O	37138409	LQVYKXZJBXNWIY-UHFFFAOYSA-N	278.352	1.501	10	20	CDCD	
COCCCN(CCOC)C(=O)Cc1ccc(N)cc1	37901843	SGFLIFRYMQLVNJ-UHFFFAOYSA-N	280.368	1.323	10	20	CDCD	
CC(C)N1CC[C@@H](CNC(=O)Cc2ccc(N)cc2)C1	40620423	MECQABBKHXLVDN-AWEZNQCLSA-N	275.396	1.658	10	20	CDCD	
CCn1cc(CN[C@H](C)c2cc(OC)ccc2O)nn1	404467481	NEZGFILVFHJYOD-SNVBAGLBSA-N	276.340	1.863	10	20	CDCD	
COc1ccc(O)c([C@H](C)NCCN2CCCC2=O)c1	405369316	NVIYJEALNKIXDM-NSHDSACASA-N	278.352	1.674	10	20	CDCD	
COCCN(CCOC)Cc1cc(F)cc(F)c1O	708415395	XJYNIABBYMKPRB-UHFFFAOYSA-N	275.295	1.765	10	20	CDCD	
CCc1cccc(CNCCS(C)(=O)=O)c1O	709424684	URVLNGGPMHLAFT-UHFFFAOYSA-N	257.355	1.089	10	20	CDCD	
CN(C)C[C@@H]1CCN(C(=O)Cc2ccc(N)cc2)C1	688453955	QZZAZDUOAMYLLO-ZDUSSCGKSA-N	261.369	1.221	10	20	CDCD	
C[C@H](NCc1ccccc1O)C(=O)NC(C)(C)C	134230474	INQNTVIBFMCWHM-JTQLQIEISA-N	250.342	1.785	10	20	CDCD	
NC(=O)CC[C@H]1CCCN(Cc2ccccc2O)C1	179564895	JCVCQXRVYGAJBV-GFCCVEGCSA-N	262.353	1.870	10	20	CDCD	
COCCOCCC(=O)NCc1ccc(N(C)C)cc1C	115282060	VMTGDPRNOKJQBL-UHFFFAOYSA-N	294.395	1.730	10	20	CDCD	
COc1ccc(O)c(CN2CCC[C@@H](CO)C2)c1	305770453	JSUNXDCLTRZKEW-LLVKDONJSA-N	251.326	1.605	10	20	CDCD	
COc1cccnc1N(C)C(=O)/C=C/c1cnn(C)c1	121652030	WASNFGQPNARDPS-VOTSOKGWSA-N	272.308	1.500	10	20	CDCD	
[N-]=[N+]=NCc1ccc(C(=O)NC[C@@H]2CCCO2)o1	1537962534	MBDGTLVBGVOJFX-QMMMGPOBSA-N	250.258	1.999	10	20	CDCD	
C[C@@H]1CN(Cc2cc(Br)ccc2O)C[C@H]1N	300334666	ANTFECHVKDRKQP-LDYMZIIASA-N	285.185	1.934	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)CCNC(N)=O	120507373	JVNWQXRISRGPOP-UHFFFAOYSA-N	292.383	1.160	10	20	CDCD	
CCOCCCC(=O)NCCc1ccc(O)c(O)c1	156578926	UTMHCBRHQPRKIA-UHFFFAOYSA-N	267.325	1.573	10	20	CDCD	
COc1cccc(CNC(=O)c2ccc(C#N)c(O)c2)c1O	188426659	BHIVECVQJGVSPA-UHFFFAOYSA-N	298.298	1.908	10	20	CDCD	
O=C(NCCCSc1nccs1)C(=O)NCC1CC1	191847701	RYGQFQXWOZYIJU-UHFFFAOYSA-N	299.421	1.268	10	20	CDCD	
CO[C@@H](C)CS(=O)(=O)NCc1ccc(N(C)C)cc1	192886154	QPRZHUALZRNDSM-NSHDSACASA-N	286.397	1.207	10	20	CDCD	
CNC(=O)C1(C(=O)NCc2c(C)c3ccccc3n2C)CC1	352133771	FRHRCMMSXTUQRA-UHFFFAOYSA-N	299.374	1.629	10	20	CDCD	
CC[C@@H](COC)NC(=O)NCc1ccccc1O	265804258	NYYNPIDUBQGJAL-NSHDSACASA-N	252.314	1.616	10	20	CDCD	
CCC1(C(=O)NCCc2ccc(O)c(O)c2)CCOCC1	272336417	NQTDDILJVFXLSX-UHFFFAOYSA-N	293.363	1.963	10	20	CDCD	
CCOc1ccc(O)c(CNC[C@@]2(O)CCO[C@@H]2C)c1	278750615	WGEZSXWWKBRLRT-ABAIWWIYSA-N	281.352	1.420	10	20	CDCD	
CC[C@H](OC)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	274726045	BBMLSAYYRQUATE-RNCFNFMXSA-N	267.325	1.570	10	20	CDCD	
CN(C)c1ccc(CN2CC[C@@H](S(C)(=O)=O)C2)cc1	282204590	OCTYBVOLZHWQNO-CQSZACIVSA-N	282.409	1.372	10	20	CDCD	
CCN(Cc1nnc2n1CCOC2)c1ccc(OC)cc1	281301420	NQBPWHVRQBUYIA-UHFFFAOYSA-N	288.351	1.843	10	20	CDCD	
CN1CCCc2cc(CNC(=O)[C@H]3C[C@@]34CCNC4)ccc21	372449182	YECCAPQAUZDIOE-CRAIPNDOSA-N	299.418	1.685	10	20	CDCD	
COc1ccc(OCCC(=O)OCC(=O)C(C)=O)cc1	808486845	LAIWHDBMBNQMPX-UHFFFAOYSA-N	280.276	1.165	10	20	CDCD	
COCC[C@H]1COCCN1C(=O)c1ccc(C)c(O)c1O	292062154	CCDNJCMFKAAGCT-NSHDSACASA-N	295.335	1.284	10	20	CDCD	
O=C(NCc1ccccc1O)NOC/C=C\Cl	811982671	XMDBGEHNJBAHOJ-UTCJRWHESA-N	256.689	1.876	10	20	CDCD	
CCNCCN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1	817952304	PDGKCJCLPJYZGV-ZDUSSCGKSA-N	295.402	1.922	10	20	CDCD	
CCN1C[C@@H](NCc2cc(Cl)cc(F)c2O)CC1=O	824887431	XLGBLPWPALARSR-JTQLQIEISA-N	286.734	1.895	10	20	CDCD	
CCOc1ccc(N(CC)CC(=O)NCC(=O)O)cc1	820387707	XGLOPAKGPVURGD-UHFFFAOYSA-N	280.324	1.112	10	20	CDCD	
CCCCC[C@@H](O)C(=O)NCc1cccc(OC)c1O	827304126	URWVVDOONSNBRD-GFCCVEGCSA-N	281.352	1.958	10	20	CDCD	
CN1CCCc2cc(CNC(=O)C[C@H](N)C3CC3)ccc21	827913620	DUTLTWWUTFEVEW-HNNXBMFYSA-N	287.407	1.813	10	20	CDCD	
CN(C(=O)/C=C/c1cncc(F)c1)c1ccc(C(N)=O)cc1	729330188	MDTBTNCTXGJQKV-FARCUNLSSA-N	299.305	1.996	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)Cc1ncc[nH]1	827962565	ODAPFYUSHVCLGS-UHFFFAOYSA-N	272.352	1.643	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)C[C@@H](C)N)c1	828666158	ATAQORDWBOPCAP-RKDXNWHRSA-N	252.314	1.315	10	20	CDCD	
C[C@H]1CN=C(NC(=O)c2c(F)ccc(O)c2O)S1	822481211	MOUMBLABGJFXEA-YFKPBYRVSA-N	270.285	1.458	10	20	CDCD	
CC(=O)NC1CCC(NC(=O)c2cc(O)cs2)CC1	732282517	PPUZZAZGPCHPMX-UHFFFAOYSA-N	282.365	1.631	10	20	CDCD	
C[C@H](CC(N)=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	903448535	PKJHGGXHQCYKNP-IUODEOHRSA-N	292.427	1.209	10	20	CDCD	
COCC1(S(=O)(=O)Nc2ccc(O)cc2OC)CC1	901704355	RNDHWKKDZVONDR-UHFFFAOYSA-N	287.337	1.322	10	20	CDCD	
CCN(C)c1ccc(CN(CC(N)=O)C(C)C)cc1	741753422	XTENSIOZVFYGLJ-UHFFFAOYSA-N	263.385	1.838	10	20	CDCD	
O=C1NC[C@H](CSc2ncc(Cl)s2)O1	849999354	ZCFKZWJIUPOQIB-SCSAIBSYSA-N	250.732	1.997	10	20	CDCD	
COc1ccc(N(C)CCN(C)[C@H]2CCN(C)C2=O)cc1	844400454	BZTHMGNUIPOKEY-HNNXBMFYSA-N	291.395	1.294	10	20	CDCD	
CC[C@@H](N)CNCc1ccc(N2CCOCC2)cc1	841070341	PPHOVEUQFQLSHW-CQSZACIVSA-N	263.385	1.350	10	20	CDCD	
CC[C@@]1(C(=O)NCc2ccc(OC)cc2O)CCCN1	843500005	QAPFJZFCHMRGFD-HNNXBMFYSA-N	278.352	1.549	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@H](C)CN	841825748	CQJBPKJYFBJBJP-NSHDSACASA-N	278.400	1.455	10	20	CDCD	
C[C@H](N)CNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	841987316	MDWWZVLROJEONX-LBPRGKRZSA-N	290.411	1.774	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)c1noc2c1CCCC2	910951652	KIVOPMIQXHRRTQ-UHFFFAOYSA-N	288.303	1.895	10	20	CDCD	
O=C1C[C@H](CN[C@@H]2CCc3cccc(O)c32)CN1C1CC1	846205486	HPIDBMVZIILMPG-BXUZGUMPSA-N	286.375	1.980	10	20	CDCD	
CNC(=O)NC1CCN(Cc2ccccc2O)CC1	840975612	ZORHKAJFUATVSV-UHFFFAOYSA-N	263.341	1.286	10	20	CDCD	
CCOc1ccc(CN2CCCO[C@H](CN)C2)c(O)c1	841100201	GLCRXSABLXJKEM-CQSZACIVSA-N	280.368	1.341	10	20	CDCD	
C[C@H](NC[C@@H](O)c1cnn(C)c1)c1cc(F)ccc1O	756616000	YILIXKAAEMIXSN-LKFCYVNXSA-N	279.315	1.649	10	20	CDCD	
C[C@@H](NCCN1CC[C@H](O)C1)c1cc(F)cc(F)c1O	858602254	VAIKMSNLSSCLLK-KOLCDFICSA-N	286.322	1.388	10	20	CDCD	
CNC(=S)NCc1ccc(N2CCC(O)CC2)cc1	853041201	TUOUTJXFUKITDO-UHFFFAOYSA-N	279.409	1.242	10	20	CDCD	
Cc1cc(CS(=O)(=O)N(C)Cc2ccccc2O)on1	751236709	YWOCWPJQUJVLLJ-UHFFFAOYSA-N	296.348	1.650	10	20	CDCD	
CN(C)c1ccc(CN(C[C@@H]2CNC(=O)C2)C2CC2)cc1	851732493	RVEFIEZPGHPSBF-AWEZNQCLSA-N	287.407	1.853	10	20	CDCD	
C[C@@H](NCC(=O)NCC1CC1)c1cc([N+](=O)[O-])ccc1O	757630780	AABYMMLHMLHBMR-SECBINFHSA-N	293.323	1.477	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)CCCn2ccnc2)c1	862759494	DYHATJDYNWMBII-UHFFFAOYSA-N	273.336	1.994	10	20	CDCD	
CN(C)c1ccc(CN2CCN(CCCCO)CC2)cc1	769398694	VHTMVWJHWPAKBZ-UHFFFAOYSA-N	291.439	1.643	10	20	CDCD	
C[C@H]1CN(C(=O)c2cc(O)cs2)CC[S@@](=O)C1	762924160	YKLFCJRGATUDFD-WNWIJWBNSA-N	273.379	1.294	10	20	CDCD	
COc1ccc(O)c(CNC(=O)Cc2cc(C)on2)c1	769539245	HDCPTDPYLXSXKN-UHFFFAOYSA-N	276.292	1.556	10	20	CDCD	
COC[C@@H](C)CC(=O)NCc1cc(C)ccc1O	862758282	VPRFIJLRCJZWOU-NSHDSACASA-N	251.326	1.989	10	20	CDCD	
O=C1N[C@@H](c2cc(Cl)ccc2O)N2CCSC[C@@H]12	765518242	KSWOTCYGGRHWBS-GXSJLCMTSA-N	284.768	1.591	10	20	CDCD	
CCNC(=O)N1CC[C@@H](NCc2ccc(C)cc2O)C1	877083960	CGHJWGSNJGVSNW-CYBMUJFWSA-N	277.368	1.594	10	20	CDCD	
COCC[C@H]1COCCN1Cc1ccc(C)cc1O	877544389	PCDTTYDUNPRKNY-AWEZNQCLSA-N	265.353	1.938	10	20	CDCD	
C[C@@H](CNCc1ccc(N2CCC(O)CC2)cc1)N(C)C	877150412	RFDFDTZSNJAZIM-AWEZNQCLSA-N	291.439	1.687	10	20	CDCD	
COc1cccc(O)c1CN1CC[C@](C)(C(=O)O)C1	1604871577	XJQGVFPGFCXALJ-AWEZNQCLSA-N	265.309	1.697	10	20	CDCD	
C[C@@H](NC[C@@H](O)Cn1cccn1)c1ccccc1O	879649262	OOJDXXJOFOUOCT-VXGBXAGGSA-N	261.325	1.300	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2CCC[C@H]2CCO)c1O	775091162	VTGRREPCHZSMEJ-NSHDSACASA-N	296.323	1.656	10	20	CDCD	
Oc1ccccc1CN1CCC(O)(C(F)F)CC1	779207051	KULSFNLPMCHTBF-UHFFFAOYSA-N	257.280	1.984	10	20	CDCD	
O=C(N[C@@H](CO)C[C@H]1CCCO1)c1cc(O)cs1	899293878	BZAWTAMSSMXRST-PSASIEDQSA-N	271.338	1.114	10	20	CDCD	
C[C@H]1CCN(CCNC(=O)N(C)Cc2ccccc2O)C1	897427955	BJCGOOUKOPFPGV-ZDUSSCGKSA-N	291.395	1.875	10	20	CDCD	
COc1ccc(CNC[C@@H]2CCCO2)c(O)c1OC	892432710	UYQQFWFEPQEYSU-NSHDSACASA-N	267.325	1.678	10	20	CDCD	
O=C(NCc1csc(O)n1)c1c(F)ccc(O)c1O	790077238	WAZGUFGUBXOPJE-UHFFFAOYSA-N	284.268	1.329	10	20	CDCD	
CC(C)CN1C[C@H](C(=O)Nc2ccc(N)cc2)CC1=O	701031535	UJZKHSQKQAXRJP-LLVKDONJSA-N	275.352	1.712	10	20	CDCD	
CC(C)CN1CCN(C(=O)NCc2ccc(N)cc2)CC1	1338799294	OVXLITBWPJCYLG-UHFFFAOYSA-N	290.411	1.752	10	20	CDCD	
O=C(O)c1cc(NS(=O)(=O)c2ccco2)ccc1O	783530232	WPPANCBJFKSKNL-UHFFFAOYSA-N	283.261	1.484	10	20	CDCD	
CC(C)(C)NC(=O)CCNC(=O)NCc1ccc(N)cc1	1335413234	NVERPLZUGQTMIG-UHFFFAOYSA-N	292.383	1.373	10	20	CDCD	
CN[C@H](C)CCN[C@H](C)c1cc(C(=O)OC)ccc1O	1261424575	XYBLHXLNGXNJPO-GHMZBOCLSA-N	280.368	1.827	10	20	CDCD	
Nc1ccc(CCNC(=O)NCC[C@H](O)C2CC2)cc1	1346477523	GJHAQIXUNNBLLH-AWEZNQCLSA-N	277.368	1.272	10	20	CDCD	
COc1ccc(CN[C@@H](CC2CC2)C(=O)O)c(O)c1OC	1607259061	KXYFMAHDXKIIJB-NSHDSACASA-N	295.335	1.752	10	20	CDCD	
O=C(O)CC1CC(NC(=O)/C=C\c2ccc(O)c(O)c2)C1	1601942517	ITFPPVLGGXRMPM-RQOWECAXSA-N	291.303	1.481	10	20	CDCD	
C[C@@H](NCc1cnnn1C)c1cc(C(=O)O)ccc1O	1604348138	KBALHIGMZPEPHZ-MRVPVSSYSA-N	276.296	1.070	10	20	CDCD	
O=C(O)c1cnc(SC[C@H](O)C(F)(F)F)s1	1608978690	MRHHOYFECRTOPM-BYPYZUCNSA-N	273.257	1.857	10	20	CDCD	
CCOc1ccc(O)c(CN2CCCNC[C@@H]2C(=O)O)c1	1610042979	NCQZIUXFWXXILD-CYBMUJFWSA-N	294.351	1.039	10	20	CDCD	
CN(C[C@@H]1CCCO1)c1ccc(OCC(=O)O)cc1	1777052908	HRDFWKNHSLWTQR-ZDUSSCGKSA-N	265.309	1.765	10	20	CDCD	
O=C(NCc1ccccc1O)[C@]1(C(F)(F)F)CCNC1	228422573	JBCVTKLTPRTOHW-LBPRGKRZSA-N	288.269	1.550	10	20	CDCD	
CCOC(=O)CN(C(=O)Cc1ccc(N)cc1)C1CC1	37825601	CVQBYYBGLLLSFI-UHFFFAOYSA-N	276.336	1.365	10	20	CDCD	
CC[S@@](=O)CCN[C@H]1CCc2cccc(O)c21	310229416	GSLJYKZUQKZJTN-APPDUMDISA-N	253.367	1.738	10	20	CDCD	
COc1cccc(CNC[C@@H](O)C2CCC2)c1O	316614709	RCBCYYZJBPKNOF-GFCCVEGCSA-N	251.326	1.651	10	20	CDCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2NC[C@H](O)CN(C)C	717394601	JVLZWBOYEPVAHY-FRRDWIJNSA-N	278.396	1.761	10	20	CDCD	
CO[C@@H]1CCOC[C@H]1NCc1cccc(Cl)c1O	724873787	RKYWABALNGKJTE-VXGBXAGGSA-N	271.744	1.939	10	20	CDCD	
O=C1NCCCC[C@H]1NCc1ccc2c(c1)CCCO2	921525043	JXEICSAWEIMPJJ-CQSZACIVSA-N	274.364	1.770	10	20	CDCD	
Cc1ccc(O)c(CNCC2CC3(C2)OCCO3)c1	922798827	GRIPTIBLFPCVBT-UHFFFAOYSA-N	263.337	1.943	10	20	CDCD	
C[C@@H](NC(=O)N[C@H]1C[C@H](C(=O)O)C1)c1ccccc1O	874427387	DIXNCGFFXACTON-OPRDCNLKSA-N	278.308	1.616	10	20	CDCD	
COc1cccc(CNC(=O)NCc2ccoc2)c1O	174332499	MWMDHOOFHJWHLU-UHFFFAOYSA-N	276.292	1.993	10	20	CDCD	
CN(Cc1cnn(C)c1)Cc1cc2c(cc1O)OCO2	29539858	WHKBTCIENPMSKT-UHFFFAOYSA-N	275.308	1.486	10	20	CDCD	
O=C(CCn1ccnn1)NCc1ccc(N2CCCC2)cc1	171958674	DHAMHAMTRUODAO-UHFFFAOYSA-N	299.378	1.585	10	20	CDCD	
C[C@H](O)CN(C)C(=O)NCc1ccc(N(C)C)cc1	176972097	HNOWLWDZVXPTMC-NSHDSACASA-N	265.357	1.275	10	20	CDCD	
C[C@H](NCCNC(=O)c1ccn[nH]1)c1ccc(F)cc1O	186511021	AUSSMUQVGKFYFQ-VIFPVBQESA-N	292.314	1.335	10	20	CDCD	
CN(C(=O)c1cccc(O)c1O)C1(C(=O)O)CCCCC1	315393332	SRSNLQGJYYZYQO-UHFFFAOYSA-N	293.319	1.957	10	20	CDCD	
COc1cc(Cl)cc(CNCC(F)(F)CO)c1O	185661071	XUSNWSNDJWARTA-UHFFFAOYSA-N	281.686	1.771	10	20	CDCD	
CCCCN1CC(=O)N[C@H]1c1cccc(OC)c1O	77475190	DDGPLILDODXGDO-CQSZACIVSA-N	264.325	1.631	10	20	CDCD	
CC(C)C(=O)N1CCN(C(=O)Cc2ccc(N)cc2)CC1	37805178	DIHNDWBMTLXBMZ-UHFFFAOYSA-N	289.379	1.138	10	20	CDCD	
CN(C)C(=O)CCCNC(=O)/C=C/c1ccc(O)c(O)c1	180974519	RQYGGHCZAPCAHP-SOFGYWHQSA-N	292.335	1.096	10	20	CDCD	
CCONC(=O)N1CCCN(c2ccc(OC)cc2)CC1	194282236	QMCOOKVNCXPBCX-UHFFFAOYSA-N	293.367	1.868	10	20	CDCD	
COc1cccc(CN2CCNCC2(C)C)c1O	88138129	ALZWLHMLXKLRBF-UHFFFAOYSA-N	250.342	1.585	10	20	CDCD	
CN(CCC(N)=O)Cc1cc(Br)ccc1O	382163248	IGJNYFSBBXDSEH-UHFFFAOYSA-N	287.157	1.462	10	20	CDCD	
CCCOc1ccc(CNC[C@@]2(O)CCO[C@H]2C)c(O)c1	278575965	FEAJQRIOXLPWMG-LRDDRELGSA-N	295.379	1.811	10	20	CDCD	
CNS(=O)(=O)[C@@H]1CCCN(Cc2cc(C)ccc2O)C1	371325223	CMALCPNUIGCNCF-CYBMUJFWSA-N	298.408	1.214	10	20	CDCD	
COc1cccc(CNC(=O)CC(C)(C)O)c1O	281764048	ZATDEOXTISZFJL-UHFFFAOYSA-N	253.298	1.178	10	20	CDCD	
Cc1ccc(C(=O)NC[C@]2(O)CCC[C@H]2C)c(O)c1O	294324080	PMKBVEPERFGZEB-MEBBXXQBSA-N	279.336	1.687	10	20	CDCD	
C[C@]1(NCc2cc(Cl)c(F)cc2O)CCOC1=O	293808595	DWASBJDXQKCRGN-LBPRGKRZSA-N	273.691	1.980	10	20	CDCD	
C[C@H]1C[C@H](CO)CN(C(=O)c2c(F)ccc(O)c2O)C1	817766809	RQFVGKJGIBVDTB-IUCAKERBSA-N	283.299	1.327	10	20	CDCD	
Oc1cccc2c1[C@H](NC[C@@H]1CNCCCO1)CC2	817982664	VHHXNUWHJSPTFL-QWHCGFSZSA-N	262.353	1.348	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)CN(C)C(=O)O	738402532	WVHOVCSNOAVEDA-UHFFFAOYSA-N	279.340	1.287	10	20	CDCD	
O=C(NCCOc1cccnc1)c1cc(O)cs1	734018205	IUJDMSRANIEMOQ-UHFFFAOYSA-N	264.306	1.658	10	20	CDCD	
CC(C)(CC(=O)O)CC(=O)NCc1ccc(O)c(O)c1	833454856	VXNPTRCPYXLPJB-UHFFFAOYSA-N	281.308	1.605	10	20	CDCD	
C[C@H](NC(=O)Cc1ncc[nH]1)c1ccc(N(C)C)cc1	832431541	QIXFJDKXQUIBPA-NSHDSACASA-N	272.352	1.896	10	20	CDCD	
CC[C@@H](O)[C@@H](C)C(=O)N(C)Cc1ccccc1O	901053779	RTTLCRKACYFMAI-ZYHUDNBSSA-N	251.326	1.758	10	20	CDCD	
CCC1(CNC(=O)NCc2cccc(OC)c2O)COC1	838697083	JBNHSCFYVJMWAA-UHFFFAOYSA-N	294.351	1.627	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)NC[C@@H]1CCC[C@H](O)C1	588407180	MVTHRKNNVQBONM-XHSUHYBKSA-N	291.347	1.778	10	20	CDCD	
COC(=O)[C@@H](NC(=O)Cc1ccc(N)cc1)C(C)(C)C	830229970	NRHUAPPCIJIRTA-CYBMUJFWSA-N	278.352	1.515	10	20	CDCD	
CCn1ccnc1[C@H](C)NC(=O)c1c(F)ccc(O)c1O	839785784	JBTNXLLWBCIQGU-QMMMGPOBSA-N	293.298	1.944	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC[C@H](O)c1cnn(C)c1	840935027	BQWFWPPTTJNSPU-INIZCTEOSA-N	288.395	1.618	10	20	CDCD	
O=C1C[C@@H](CNCc2ccccc2O)CN1C1CC1	846075188	LTYGUIVFFYKOBA-NSHDSACASA-N	260.337	1.493	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1C[C@@H]2[C@@H](CO)[C@@H]2C1	840949793	CMWVQIUHRVKBSI-ZSHCYNCHSA-N	260.381	1.731	10	20	CDCD	
CCOc1cccc(CNCC[C@@H]2CCNC2)c1O	841037057	SBJMQELRUBJPNB-LBPRGKRZSA-N	264.369	1.880	10	20	CDCD	
CC[C@H](O)CCNC(=O)NCCc1ccc(N)cc1	841956575	CCQGMFGCTPQPQE-ZDUSSCGKSA-N	265.357	1.272	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1C[C@@H](CO)OC[C@H]1C	840921573	WWCMKHPJTAFWMU-CJNGLKHVSA-N	278.396	1.643	10	20	CDCD	
Cc1ccc(C(=O)NC[C@@H]2C[C@H](C)O[C@@H]2C)c(O)c1O	840517752	XAHJLXWUMMOSIT-AXFHLTTASA-N	279.336	1.950	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)NC1(CO)CCC1	758504586	STLWBVVNPGZBCA-UHFFFAOYSA-N	291.395	1.775	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NC[C@@]2(C)CCC(=O)N2)c1	858530111	VHIGPVDWCBOZJH-OAHLLOKOSA-N	291.351	1.169	10	20	CDCD	
CCCCS(=O)(=O)CC(=O)NCc1ccccc1O	934934894	FBWUFILKPILBTJ-UHFFFAOYSA-N	285.365	1.223	10	20	CDCD	
CCN(C)c1ccc(CN[C@@H]2C(=O)NCC2(C)C)cc1	931653867	IELYBXBCVWKUGT-CQSZACIVSA-N	275.396	1.757	10	20	CDCD	
C[C@@](O)(CNC(=O)c1cc(O)cs1)C(F)(F)F	761061492	CZLUYWQUEPSZNI-MRVPVSSYSA-N	269.244	1.497	10	20	CDCD	
CC(C)N1CCC[C@H]1C(=O)NCc1ccc(O)c(O)c1	934945182	XHRDBABSCSTUNH-LBPRGKRZSA-N	278.352	1.587	10	20	CDCD	
Cc1ccc(C(=O)OCc2cc(=O)c(O)co2)c(O)c1O	761130502	HMJCTPGAMXJLKU-UHFFFAOYSA-N	292.243	1.422	10	20	CDCD	
CCOc1cccc(CNC[C@@H](O)C2CC2)c1O	71299505	MQFATIIDLQKAON-GFCCVEGCSA-N	251.326	1.651	10	20	CDCD	
CCOC(=O)c1ccc(N2N=C(C(C)=O)CC2=O)cc1C	871961268	OLJNIPVFIAVWIU-UHFFFAOYSA-N	288.303	1.853	10	20	CDCD	
CCC[C@@]1(C)C(=O)NCCN1Cc1ccc(N)cc1	1120268217	CRNFJHCNUHKORW-HNNXBMFYSA-N	261.369	1.759	10	20	CDCD	
CC1(C)OCC(NCc2cc(F)cc(F)c2O)CO1	883088106	UFCONSXXEYQKQN-UHFFFAOYSA-N	273.279	1.912	10	20	CDCD	
C[C@@H](O)CCCn1cc(COc2ccc(N)cc2)nn1	881317275	JKFIUCQIKLUVEI-LLVKDONJSA-N	276.340	1.600	10	20	CDCD	
CCOC(=O)CN(C)Cc1cc(F)cc(F)c1O	893923913	IUDYUOZAOGGLES-UHFFFAOYSA-N	259.252	1.665	10	20	CDCD	
COc1ccc(CNC[C@H](C)CCCO)c(O)c1OC	894681768	JXHFBQJFWYIQKF-LLVKDONJSA-N	283.368	1.908	10	20	CDCD	
COC(=O)C[C@@H](C)C(=O)OCC(=O)c1ccc(O)c(O)c1	784118127	KMWWRPVUQIAVNY-MRVPVSSYSA-N	296.275	1.023	10	20	CDCD	
COc1cc(C)cc(CN2CC(=O)N(C)C[C@@H]2C)c1O	894535972	ZUGIZOZLEYGLGM-NSHDSACASA-N	278.352	1.372	10	20	CDCD	
COc1ccc(CNC(=O)[C@H]2CCCN2C2CC2)c(O)c1	794389418	NCRHVLREOHARJT-CQSZACIVSA-N	290.363	1.644	10	20	CDCD	
COc1ccc(CNC(=O)[C@H](N)C2CCCCC2)c(O)c1	1326339071	IUYFUPNRRVRCCZ-OAHLLOKOSA-N	292.379	1.925	10	20	CDCD	
COc1cc(C)cc(CN2CC[C@](C)(O)C2)c1O	1331528494	HFSRSBKYBPGHHL-AWEZNQCLSA-N	251.326	1.666	10	20	CDCD	
CCCN(CCO)C(=O)NCc1ccc(N)cc1	1337025236	DSXOKUUHPWPUIN-UHFFFAOYSA-N	251.330	1.183	10	20	CDCD	
CCO[C@@H]1C[C@@H](NC(=O)NCc2ccc(N)cc2)[C@@H]1OC	1338596589	RRUHNTLKRQHQEE-MCIONIFRSA-N	293.367	1.260	10	20	CDCD	
COCC1(C(=O)NCCc2ccc(O)c(O)c2)CCC1	786390725	GVCYBSXUAUDTQM-UHFFFAOYSA-N	279.336	1.573	10	20	CDCD	
C[C@@H](NC(=O)[C@H](N)Cc1ccccn1)c1ccccc1O	1342306500	KMTCDFITGJIWIN-BXUZGUMPSA-N	285.347	1.534	10	20	CDCD	
COCCC(C)(C)NC(=O)NCc1ccc(N)cc1	1357791074	IVDPQSAJCBHXGR-UHFFFAOYSA-N	265.357	1.883	10	20	CDCD	
COC1(c2nccn2C)CN(C(=O)c2cc(O)cs2)C1	1520480406	LTQPHOCUBFPVRP-UHFFFAOYSA-N	293.348	1.185	10	20	CDCD	
COc1ccc(O)c(CNc2cnn(CC(=O)O)c2)c1	1604821244	SVSQTBCZDHNBNF-UHFFFAOYSA-N	277.280	1.294	10	20	CDCD	
O=C(O)[C@@H]1C[C@H](O)CN1Cc1ccc(Cl)cc1O	1601773379	SAHQDBSOGZYZLG-UWVGGRQHSA-N	271.700	1.065	10	20	CDCD	
CN[C@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1	1578598776	WAAINXJNLDWFSM-LBPRGKRZSA-N	289.339	1.673	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NCC2CCNCC2)c1	1579723162	BCQRJEJBHUZHJA-UHFFFAOYSA-N	277.368	1.499	10	20	CDCD	
Cc1sc(C(=O)Oc2ccc(N)cc2)nc1O	1579931877	PZEHYXFLXCWSMT-UHFFFAOYSA-N	250.279	1.959	10	20	CDCD	
Nc1ccc(CNC(=O)C2=C[S@@](=O)CCC2)cc1	1580443498	LQQCMJVSHVDWSD-SFHVURJKSA-N	264.350	1.311	10	20	CDCD	
CCN(CC)c1ccc(CNC[C@@](C)(O)C(=O)O)cc1F	1589728815	QMDAADIFDAEZIH-OAHLLOKOSA-N	298.358	1.597	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)Nc1cncc(C(=O)O)n1	1592883150	NNMCPBKDYGXJNE-QMMMGPOBSA-N	289.291	1.629	10	20	CDCD	
COc1ccc(CN2CCC[C@H]2C(=O)O)c(O)c1OC	1594094443	OZLUFXORYVGQGC-JTQLQIEISA-N	281.308	1.458	10	20	CDCD	
COc1cccc(O)c1CN1C[C@H](C)O[C@H](C(=O)O)C1	1599680157	CSZICTLYTGSTEP-ZANVPECISA-N	281.308	1.075	10	20	CDCD	
CN(C)S(=O)(=O)N(Cc1ccccc1O)C1CCCC1	161765837	ZBNNZDDQHNRLMN-UHFFFAOYSA-N	298.408	1.943	10	20	CDCD	
NC[C@H]1CN(Cc2cc(Cl)cc(Cl)c2O)CCO1	164668547	HUCUIVQPUZWVCW-JTQLQIEISA-N	291.178	1.859	10	20	CDCD	
NC(=O)[C@H]1CCCN(Cc2c(O)cccc2Cl)C1	155017720	IOSQWAYBJNJSAV-VIFPVBQESA-N	268.744	1.743	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)[C@H]1C[C@@H]2CC[C@@H]1O2	156663455	TUXWKNLWMIQHFQ-MJVIPROJSA-N	277.320	1.324	10	20	CDCD	
COc1cccc(O)c1CN(C)CCN1CCCC1	809737641	KGEMFJADZMUEQV-UHFFFAOYSA-N	264.369	1.928	10	20	CDCD	
O=C1OC[C@@H]2CN(Cc3cc(F)cc(F)c3O)CCN12	1262109126	KBSPMJIPQAQLNV-JTQLQIEISA-N	284.262	1.307	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NCCc2cnn[nH]2)c1	851900260	BTZHXLUWDLFNFN-SECBINFHSA-N	262.313	1.412	10	20	CDCD	
CN(C)CCCN(C)Cc1cc2c(cc1O)OCO2	211460255	LSCGJLIWXRBBIE-UHFFFAOYSA-N	266.341	1.504	10	20	CDCD	
Nc1ccc(CNC(=O)c2ccc3n[nH]nc3c2)cc1	221344956	FUSMAHXIJKXTHB-UHFFFAOYSA-N	267.292	1.470	10	20	CDCD	
COC(=O)[C@@H]1C[C@@H]1C(=O)NCc1ccc(N(C)C)cc1	171193405	JFWYUWXLKKCSQV-QWHCGFSZSA-N	276.336	1.178	10	20	CDCD	
CN(C(=O)c1cccc(O)c1O)c1nccs1	187083428	UAUWGVFWACBWBH-UHFFFAOYSA-N	250.279	1.831	10	20	CDCD	
CCc1nnc(CNCc2cc3c(cc2O)OCO3)s1	391852012	SIUJQEMFKJCHDY-UHFFFAOYSA-N	293.348	1.825	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CN2CCCC2=O)cc1F	58731134	YEAXHAXRIWCWNV-UHFFFAOYSA-N	293.342	1.130	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2n[nH]c3c2CCC3)c1	114542020	GXIVZAODAATEDA-UHFFFAOYSA-N	287.319	1.543	10	20	CDCD	
COc1ccc(O)c(CN2CCC[C@@H]2C(=O)NC2CC2)c1	179726503	ISOUYGZSJBXGRI-CQSZACIVSA-N	290.363	1.644	10	20	CDCD	
CC(C)C[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)O	213148319	OLBHHFOSTWXOHD-VLWUPBBWSA-N	293.319	1.727	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NCCS(C)(=O)=O)c1	37740489	POXKQYJCRRIGHY-SECBINFHSA-N	273.354	1.096	10	20	CDCD	
Cn1cc(/C=C\C(=O)N2C[C@H](C(=O)O)c3ccccc32)cn1	316642799	VRRSZAYDLOWIJO-FWWRYZNZSA-N	297.314	1.648	10	20	CDCD	
COc1ccc(N2CCN(c3ccnc(CO)c3)CC2)cc1	316176823	VEVRQZRYFKMHJL-UHFFFAOYSA-N	299.374	1.909	10	20	CDCD	
COc1ccc(O)c(CN2CCNC(=O)[C@H]2CC(C)C)c1	188910129	ABEFBBQESGGGDX-CQSZACIVSA-N	292.379	1.747	10	20	CDCD	
CCn1nncc1CN[C@H]1CCc2cccc(O)c21	527917209	RNIZQFJFPOOEQK-LBPRGKRZSA-N	258.325	1.781	10	20	CDCD	
C[C@H](N[C@H]1CCCCNC1=O)c1ccc(F)c(F)c1O	191198292	JMBXHSXEBFYKIB-KWQFWETISA-N	284.306	1.990	10	20	CDCD	
C[S@](=O)CCCNCc1ccc2c(c1)CCCO2	921751837	LCPFGIJSHPEYQG-SFHVURJKSA-N	267.394	1.870	10	20	CDCD	
C[C@H]1C[C@@H](C(=O)N2CCOc3cc(N(C)C)ccc32)CO1	439157178	NBQXHGJXVCXQHO-NWDGAFQWSA-N	290.363	1.903	10	20	CDCD	
Cc1cc(C(=O)N[C@H](C)CCO)c(C)n1-c1ccccn1	269102752	IKHLOYLVULJXHJ-LLVKDONJSA-N	287.363	1.990	10	20	CDCD	
COC[C@H](NCc1ccc2c(c1)CCO2)[C@@H]1CCCO1	278682998	PDVRVVKPHUDCMH-HOCLYGCPSA-N	277.364	1.905	10	20	CDCD	
CC[C@@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)C[C@H]1O	272627143	JWCATNQDWVVAOS-JDRNFJBZSA-N	277.320	1.340	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@H]2CCO[C@@H](C)C2)c1O	278473436	HYPDIBDVUOVWGQ-ONGXEEELSA-N	296.323	1.966	10	20	CDCD	
COCC[C@H](CO)N[C@@H](C)c1ccc(F)c(F)c1O	281588237	LNJOEXBTJINCIJ-DTWKUNHWSA-N	275.295	1.718	10	20	CDCD	
COc1ccc(C(=O)OCC(=O)C(C)=O)c(F)c1	808490993	JKQUCIPDXHEPME-UHFFFAOYSA-N	254.213	1.149	10	20	CDCD	
Cc1ccc(C(=O)NC2C[C@@H]3CC[C@H](C2)N3C)c(O)c1O	296835379	DDXKILFYHITNEF-YOGCLGLASA-N	290.363	1.761	10	20	CDCD	
CCC[C@@H](OC)C(=O)NCCc1ccc(O)c(O)c1	295529113	SMQRQGAVBDKFAN-CYBMUJFWSA-N	267.325	1.572	10	20	CDCD	
C[C@@H](NCCN1CCNCC1)c1cc(F)ccc1O	817944399	AZAZJPPVJFBEFB-LLVKDONJSA-N	267.348	1.087	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)[C@H]1CCCSC1	813489805	DAOGVSYSUGZFME-JTQLQIEISA-N	267.350	1.857	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NOCC(C)(C)O)cc1	811807463	WMWKGNPQRNUYOM-UHFFFAOYSA-N	281.356	1.254	10	20	CDCD	
CC[C@H](O)CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1	813719977	QIRWIEXOFMSCTM-RISCZKNCSA-N	279.384	1.884	10	20	CDCD	
CC[C@@H](NCCN1CCNCC1)c1ccc(F)cc1O	817944633	IPGBIGCESCJBHD-CQSZACIVSA-N	281.375	1.477	10	20	CDCD	
CC(=O)C1(C(=O)N2CCOc3cc(N(C)C)ccc32)CC1	572766447	WJKRKVUKXDEIAL-UHFFFAOYSA-N	288.347	1.847	10	20	CDCD	
COc1ccc(N2CC[C@@H](CNC(=O)N(C)OC)C2)cc1	824688734	YBFFYSWZGKWXQK-LBPRGKRZSA-N	293.367	1.724	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1C[C@@]12CCNC2	829764747	WGKVJJBIMHMODO-NVXWUHKLSA-N	287.407	1.677	10	20	CDCD	
CC[C@@H](NCc1ccc(N(C)C)c(F)c1)C(=O)NC	825316872	WLEZECDCFRRAJN-GFCCVEGCSA-N	267.348	1.506	10	20	CDCD	
CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)c2cc(O)cs2)C1	734179177	UWAOSUAOZMPHIA-NXEZZACHSA-N	296.392	1.831	10	20	CDCD	
O=C(O)C1(NCc2cc(F)cc(F)c2O)CCOCC1	904010155	QCIAUUYZGMVJLD-UHFFFAOYSA-N	287.262	1.394	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NCC(C)(C)C(=O)O)cc1	830639693	NJUIUQYPLYCYGE-UHFFFAOYSA-N	293.367	1.663	10	20	CDCD	
C[C@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccc(N(C)C)cc1	839727704	CRFDBLRAOSOIOX-ZWKOPEQDSA-N	277.324	1.595	10	20	CDCD	
C[C@@H](CO)C1CCN(C(=O)c2cccc(O)c2O)CC1	846470122	FUBSXAYUMSYHRC-JTQLQIEISA-N	279.336	1.578	10	20	CDCD	
COc1cccc(O)c1CN[C@H]1CCN[C@@H](C)C1	841060698	BEFWWYHPLIDZAR-QWRGUYRKSA-N	250.342	1.631	10	20	CDCD	
Cc1c(NC(=O)NCc2cc(Cl)ccc2O)nnn1C	844707147	JHQCMFQZNSNBKA-UHFFFAOYSA-N	295.730	1.804	10	20	CDCD	
Cc1cc(CN2C[C@@H](C)O[C@@H](C(=O)O)C2)ccc1N(C)C	846289920	BYHPWAANAKTDJC-IUODEOHRSA-N	292.379	1.735	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)NC[C@H](N)C1CC1	841965480	GPUQZVDQBZFMHK-LBPRGKRZSA-N	263.341	1.271	10	20	CDCD	
CC(C)[C@@H](CNC(=O)N(C)Cc1ccccc1O)C(=O)O	848593062	WVGGHDRUBOAOKQ-GFCCVEGCSA-N	294.351	1.890	10	20	CDCD	
COC(=O)N1CCC[C@H](NC(=O)Nc2ccc(N)cc2)C1	841301128	BLLIRZLQBLQXTJ-LBPRGKRZSA-N	292.339	1.621	10	20	CDCD	
C[C@@H](NC[C@H]1CCCNC1=O)c1cc(F)cc(F)c1O	840826410	XJYIAYAIGHFICV-RKDXNWHRSA-N	284.306	1.847	10	20	CDCD	
CN[C@@H]1CCN(Cc2cc(Cl)cc(F)c2O)C1	843045526	UNNYRVQYJUFOOR-SNVBAGLBSA-N	258.724	1.978	10	20	CDCD	
O=C(NCc1ccc(N2CCCC2)cc1)[C@]1(O)CCOC1	840270057	QZZGNSQTDAXVRM-INIZCTEOSA-N	290.363	1.054	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NCC[C@@]2(O)CCCOC2)c1	846107493	JHFDWFQTCZWYRV-WBMJQRKESA-N	295.379	1.983	10	20	CDCD	
C[C@@H](NC(=O)NC(C)(C)C(=O)O)c1ccc(N(C)C)cc1	929044908	OSHCXXQYEFUOIC-SNVBAGLBSA-N	293.367	1.976	10	20	CDCD	
C[C@@H](C(=O)NCc1ccc(N2CCCC2)cc1)N(C)C	750017266	CQYMXQABBFOIFH-ZDUSSCGKSA-N	275.396	1.853	10	20	CDCD	
CON(C)C(=O)[C@@H](C)N[C@@H](C)c1cc([N+](=O)[O-])ccc1O	858588007	VHCOFLABPGAEOU-DTWKUNHWSA-N	297.311	1.359	10	20	CDCD	
Cc1cc(C)c([C@@H](C)NCCN2CC[C@H](O)C2)c(O)c1	858602062	PHQSUWQXUBPPBH-KGLIPLIRSA-N	278.396	1.726	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@@H]2C[C@H]2c2cncn2C)c1	862754629	HSEZFZFZZGJYEJ-CHWSQXEVSA-N	285.347	1.854	10	20	CDCD	
COCC[C@]1(NCc2cc(C)ccc2O)CCOC1	775033173	MEYIZBUUTWCJHK-HNNXBMFYSA-N	265.353	1.986	10	20	CDCD	
Cc1ccc(CN2C[C@H](C)O[C@H](CO)C2)c(O)c1	877466217	FGYKVQZFJSJWHD-AAEUAGOBSA-N	251.326	1.282	10	20	CDCD	
OCCOC1CCN(Cc2ccccc2O)CC1	779034584	YORZCZOAOZDRQJ-UHFFFAOYSA-N	251.326	1.366	10	20	CDCD	
Cc1ccc(CNC[C@@H]2CCN(S(C)(=O)=O)C2)c(O)c1	877118474	CFZSRUZWDDKPJH-LBPRGKRZSA-N	298.408	1.072	10	20	CDCD	
C[C@@H](CNC(=O)N[C@H](C)c1ccccc1O)C(=O)O	874407030	KXXBHLQSZIYZKK-DTWKUNHWSA-N	266.297	1.473	10	20	CDCD	
COC[C@H](NCc1ccc(C)cc1O)[C@H]1CCCO1	877490045	SRNNHEBEILTVOI-DZGCQCFKSA-N	265.353	1.984	10	20	CDCD	
Cc1cc(=O)c(C(=O)NCc2ccccc2O)cn1C	774066583	UXCCVDHRJWYMGL-UHFFFAOYSA-N	272.304	1.329	10	20	CDCD	
CCN(C[C@H](O)C(F)(F)F)C(=O)c1cc(O)cs1	779445469	YZRGKMOTXKAGNG-QMMMGPOBSA-N	283.271	1.839	10	20	CDCD	
COCCONC(=O)N(C)Cc1ccccc1O	789351808	JZFHNNIGUZYGTG-UHFFFAOYSA-N	254.286	1.112	10	20	CDCD	
C[C@@](O)(CNC(=O)c1c(F)ccc(O)c1O)c1ccco1	789987037	PSJPKQPAWLZDDO-CQSZACIVSA-N	295.266	1.467	10	20	CDCD	
COC[C@H](C)n1ccc(NC(=O)c2cccc(O)c2O)n1	790943044	GSVPRDUFKHDOFY-VIFPVBQESA-N	291.307	1.754	10	20	CDCD	
O=C(c1cccc(O)c1O)N1C[C@@H](O)Cc2ccccc21	790157250	RMUPRRMFRMLYMQ-NSHDSACASA-N	285.299	1.662	10	20	CDCD	
O=C(c1cc(O)cs1)N(CCO)CC(F)F	795632847	OKXYROFZZXRWGV-UHFFFAOYSA-N	251.254	1.153	10	20	CDCD	
CN(C)[C@@H]1CCC[C@@H](NC(=O)c2cccc(O)c2O)C1	185802662	UKXKOQKHHKBLMQ-GHMZBOCLSA-N	278.352	1.700	10	20	CDCD	
COC(=O)N(C)CCN[C@@H](C)c1cc(F)ccc1O	701668425	IVBDLDFBYGVLNO-VIFPVBQESA-N	270.304	1.880	10	20	CDCD	
CC(C)(C)[C@H](NCc1cc([N+](=O)[O-])ccc1O)C(=O)O	1320866944	OEBPWWPIWHCDFZ-LLVKDONJSA-N	282.296	1.889	10	20	CDCD	
C[C@H](N[C@H](C)CN1CCOCC1)c1cc(F)ccc1O	94617174	WNLOJQUVGCCFKQ-NEPJUHHUSA-N	282.359	1.903	10	20	CDCD	
C[C@@H](C(=O)O)C1(NCc2cc([N+](=O)[O-])ccc2O)CC1	1261503635	HARAGZPMWRBDBI-QMMMGPOBSA-N	280.280	1.643	10	20	CDCD	
COc1cc(N(C)C[C@H](C)O)c([N+](=O)[O-])cc1OC	214230327	KDRIFOHUVMFRKE-QMMMGPOBSA-N	270.285	1.429	10	20	CDCD	
CC(C)[C@H](N)CNC(=O)c1ccc(N=NC(N)=O)cc1	1575460631	OFTWWUJZUUIODI-LLVKDONJSA-N	277.328	1.562	10	20	CDCD	
O=C(C[C@H]1CCCN1)NCc1cccc(Cl)c1O	1580505666	IXKGKOHBTLARQY-SNVBAGLBSA-N	268.744	1.804	10	20	CDCD	
O=C(NCc1cccc(O)c1O)c1cccc2c1CCNC2	1580718107	BGJODRBCDPUTMN-UHFFFAOYSA-N	298.342	1.674	10	20	CDCD	
O=C(O)CN(C(=O)c1cccc(O)c1O)C1CCC1	1595068983	WNTVHJLKRWSPGN-UHFFFAOYSA-N	265.265	1.177	10	20	CDCD	
C[C@H](NC/C=C\CO)c1cc(C(=O)O)ccc1O	1593256483	IIFSHYGVEVUPEX-XADBCAIWSA-N	251.282	1.290	10	20	CDCD	
COC[C@](C)(CC(=O)O)NCc1cc(F)cc(F)c1O	1777178128	SELZHUUMGUHRQF-ZDUSSCGKSA-N	289.278	1.640	10	20	CDCD	
CCO[C@H]1C[C@@](N)(C(=O)NCc2ccccc2O)C1(C)C	157718071	LBLPPLDHCHOFCT-XJKSGUPXSA-N	292.379	1.541	10	20	CDCD	
Oc1cc2c(cc1CNC[C@H]1CCC[C@H](O)C1)OCO2	230667417	ATGKNDLAMUYFSB-JQWIXIFHSA-N	279.336	1.762	10	20	CDCD	
CN1CCC(O)(CNCc2ccc3c(c2)CCO3)CC1	77450557	APEYWWYACAENEI-UHFFFAOYSA-N	276.380	1.168	10	20	CDCD	
C[C@@H](N(C)C(=O)c1cccc(O)c1O)C(C)(C)O	296756516	CKCMOPJCECHUHB-MRVPVSSYSA-N	253.298	1.329	10	20	CDCD	
CC[C@H](NC[C@H]1CN(C)CCN1C)c1ccccc1O	68801429	SEICTMSSDSEJQC-ZFWWWQNUSA-N	277.412	1.679	10	20	CDCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2N[C@@H]1COC[C@@H]1O	323526599	JENYJBAVVXDNEL-XZUYRWCXSA-N	263.337	1.598	10	20	CDCD	
CCS(=O)(=O)NCCN[C@@H](C)c1ccc(N(C)C)cc1	390313131	CZDWLBUKYABFPC-LBPRGKRZSA-N	299.440	1.343	10	20	CDCD	
CN(Cc1cccc(Br)c1O)[C@@H]1CCNC1=O	770379075	IJXLRZQLXARRRP-SNVBAGLBSA-N	299.168	1.475	10	20	CDCD	
CCOC(=O)CSc1ncc(C(=O)OCC)s1	310109115	QKHISEOYFKMURW-UHFFFAOYSA-N	275.351	1.975	10	20	CDCD	
COc1ccc(O)c(CN2CCN(CC3CC3)CC2)c1	179754007	PVFGSBYLWKRURP-UHFFFAOYSA-N	276.380	1.928	10	20	CDCD	
CC[C@H]1COCCN1C(=O)c1cccc(O)c1O	126267269	CHSUUAOSJYOCHV-VIFPVBQESA-N	251.282	1.349	10	20	CDCD	
CCCN(Cc1ccccc1O)[C@@H](C)c1nnnn1C	189480948	NETYTKDEXXKEHY-NSHDSACASA-N	275.356	1.889	10	20	CDCD	
COc1cc(O)c(CNC[C@@H]2CCCOC2)cc1OC	180341855	YGUQOTNYLXFDIY-NSHDSACASA-N	281.352	1.926	10	20	CDCD	
O=C(CSC(F)(F)F)NCc1ccc(O)c(O)c1	182547134	PBTBGHUIBCYCCZ-UHFFFAOYSA-N	281.255	1.967	10	20	CDCD	
COCCCCNC(=O)NCc1ccc(N(C)C)cc1	48141178	JWWSYDNISTUEBV-UHFFFAOYSA-N	279.384	1.978	10	20	CDCD	
CC(C)OCCCNC(=O)Cc1ccc(N)cc1	40830529	UBKIJVJMIRHOCO-UHFFFAOYSA-N	250.342	1.743	10	20	CDCD	
CCCNc1nnc(SCC(=O)C(C)=O)s1	289550838	GDZSZWUKSMTBBO-UHFFFAOYSA-N	259.356	1.610	10	20	CDCD	
COc1cc(Cl)cc(CN(CCO)CCCO)c1O	273798793	WPRRYAAFTDVWKZ-UHFFFAOYSA-N	289.759	1.231	10	20	CDCD	
CN1CCCc2cc(CNC(=O)C3(C)COC3)ccc21	272741448	HESLTNSWGFCQAQ-UHFFFAOYSA-N	274.364	1.722	10	20	CDCD	
CN(C)c1ccc(CNCc2cc(C(N)=O)no2)cc1F	273454446	ZQFRSGGAOQQSIC-UHFFFAOYSA-N	292.314	1.268	10	20	CDCD	
CCOCc1cc(CN[C@@H](C)C(=O)OC)ccc1OC	279774182	BPDOHWFMIOVLAI-NSHDSACASA-N	281.352	1.883	10	20	CDCD	
C[C@H]1CN(Cc2cc(F)ccc2O)CC[S@@](=O)C1	277636355	YDUQVNRROUAJDB-XTZNXHDOSA-N	271.357	1.732	10	20	CDCD	
COC(=O)[C@H]1CC[C@@H](C(=O)N(C)Cc2ccccc2O)O1	289970281	VZOWFSDRJFFPMC-QWHCGFSZSA-N	293.319	1.071	10	20	CDCD	
COc1cc(O)c(CN[C@@H](C)CN(C)C)cc1OC	289858438	QMHSGRGCXIDAOB-JTQLQIEISA-N	268.357	1.449	10	20	CDCD	
CN(C)c1ccc(CNC(=O)Nc2ncn(C)n2)cc1	296696336	IKRRMQORTZOLRV-UHFFFAOYSA-N	274.328	1.203	10	20	CDCD	
COc1cc(CCC(=O)OCC(=O)C(C)=O)cc(OC)c1	808491885	VVHMQAWLOPMJHQ-UHFFFAOYSA-N	294.303	1.338	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H]1CCOC1	808095001	NSRAFBLEKMYZQX-JTQLQIEISA-N	270.325	1.531	10	20	CDCD	
CC(=O)C(=O)Cn1cnc2sc3c(c2c1=O)CCCC3	808009398	DVICYHMSFGDTRO-UHFFFAOYSA-N	290.344	1.495	10	20	CDCD	
C[C@@H](C(=O)O)N(C)Cc1cc(Cl)cc([N+](=O)[O-])c1O	819889426	OEZCKIMDNZLYJV-LURJTMIESA-N	288.687	1.859	10	20	CDCD	
CCc1nnc(CNC(=O)c2cc(O)cs2)s1	812369126	JHOIDESQBQQEPN-UHFFFAOYSA-N	269.351	1.798	10	20	CDCD	
C[C@H](CCCCN)NC[C@H](N)c1ccc(N(C)C)cc1	817939163	AAMYSYNEGQORCW-CJNGLKHVSA-N	278.444	1.860	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@@H]2CCCNC2)c1	817942366	YCIYDHLWNWGYKK-CMPLNLGQSA-N	278.352	1.581	10	20	CDCD	
COCCC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1	819581934	GNJGLMSOUCSYJY-CYBMUJFWSA-N	292.379	1.674	10	20	CDCD	
C[C@@H](NC(=O)[C@H](C)[C@@H]1CCC(=O)N1)c1ccccc1O	827952063	FECQZHGNNDUXRX-FOGDFJRCSA-N	276.336	1.484	10	20	CDCD	
Cc1ncsc1/C=C\C(=O)N(C)c1cnn(C)c1	492738892	HGRWILZKSYBUHS-PLNGDYQASA-N	262.338	1.861	10	20	CDCD	
CCn1nc(C)c(CNCc2cccc(C)c2O)n1	822494498	QEASGQMJGAKYPO-UHFFFAOYSA-N	260.341	1.910	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1CCOC[C@@H]1CC(=O)O	902001290	DMJBDNDUFMRQAS-HNNXBMFYSA-N	292.379	1.737	10	20	CDCD	
O=C(NCCOC[C@@H]1CCCO1)NCc1ccccc1O	734663975	RJDLALTVRDSDDZ-ZDUSSCGKSA-N	294.351	1.387	10	20	CDCD	
COc1cc(O)ccc1NS(=O)(=O)CCOC(C)C	901703148	CJCBVBXKVUNXDK-UHFFFAOYSA-N	289.353	1.568	10	20	CDCD	
COCC1(CNC(=O)c2cc(O)cs2)CCOCC1	832445784	IFYCWOMNJMZDHE-UHFFFAOYSA-N	285.365	1.627	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)Nc2nc(C)no2)c1	836492621	CLNAVQIERZPIDG-SSDOTTSWSA-N	292.295	1.975	10	20	CDCD	
CCn1cc(NC(=O)/C=C\c2ccc(O)c(O)c2)cn1	588406320	LHVSAMXMDCZCSI-XQRVVYSFSA-N	273.292	1.966	10	20	CDCD	
CC[C@@H](C)[C@H](O)CNC(=O)NCCc1ccc(N)cc1	841954019	HPLDKEKDDOISMC-BXUZGUMPSA-N	279.384	1.518	10	20	CDCD	
CCC[C@H](CCO)CNC(=O)NCCc1ccc(N)cc1	841958785	STTUJTWJKRXJHP-CQSZACIVSA-N	293.411	1.909	10	20	CDCD	
CC[C@H](CO)C(=O)N(C)CCN(C)c1ccc(OC)cc1	846442378	OVTYYYURIWADOL-CYBMUJFWSA-N	294.395	1.608	10	20	CDCD	
C[C@@H](NC(=O)N[C@H]1CCCNC1)c1ccc(N(C)C)cc1	841884181	YNEFGHQLTUSXRH-OCCSQVGLSA-N	290.411	1.865	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)NC[C@H]1CCCNC1	841925207	BSBQQRZRZKMZOI-LBPRGKRZSA-N	277.368	1.533	10	20	CDCD	
CCN(C)C(=O)[C@H](C)N[C@H](C)c1cccc(OC)c1O	846167293	WNAGHVYNXYHMAV-MNOVXSKESA-N	280.368	1.918	10	20	CDCD	
O=C(COC[C@@H]1CCCO1)NCc1ccccc1O	748347262	XQENIYRBFKUCSA-LBPRGKRZSA-N	265.309	1.204	10	20	CDCD	
COC(=O)N1CC(N[C@@H](C)c2cccc(OC)c2O)C1	846157793	XHGHTUPAXXETBK-VIFPVBQESA-N	280.324	1.502	10	20	CDCD	
C[C@H](NCCO[C@@H]1CCOC1)c1cc([N+](=O)[O-])ccc1O	927081500	SPYHFZBMNUSPBD-CMPLNLGQSA-N	296.323	1.757	10	20	CDCD	
CN(C)c1ccc(CN[C@@H]2CCOC[C@H]2O)cc1F	858301288	UJMCZDYGLYKVOL-TZMCWYRMSA-N	268.332	1.131	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@]2(C)CCOC2)cc1	754034188	BPEKKINAUBGZRN-HNNXBMFYSA-N	262.353	1.795	10	20	CDCD	
CCOC(=O)[C@H](C)n1cc(COc2ccc(N)cc2)nn1	864626966	GARZWVOVIWOVMY-JTQLQIEISA-N	290.323	1.563	10	20	CDCD	
CON(C)C(=O)[C@@H](C)NCc1cc(Cl)cc(F)c1O	862542635	WBQZKCTWIDBENB-SSDOTTSWSA-N	290.722	1.683	10	20	CDCD	
COCCOCCCNC(=O)NCc1cc(C)ccc1O	875230640	JCZSQQQTNCCTPS-UHFFFAOYSA-N	296.367	1.553	10	20	CDCD	
C[C@@H](NC(=O)NCCN1CCCC1=O)c1ccccc1O	875695364	LBBQWLNONAEUHZ-LLVKDONJSA-N	291.351	1.375	10	20	CDCD	
CCN1CCN([C@H](C)CNCc2c(C)cccc2O)CC1	876931392	NLRZRNXAXWGWHY-OAHLLOKOSA-N	291.439	1.816	10	20	CDCD	
CCn1nccc1C(=O)NCc1ccc(N(C)C)cc1	772864594	QPZJYMAIMGWTDC-UHFFFAOYSA-N	272.352	1.899	10	20	CDCD	
CC(C)(C)OC(=O)[C@](C)(O)CNCc1ccccc1O	776520988	RZNNLYKFFXEGCA-OAHLLOKOSA-N	281.352	1.575	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N1CC(OCC(F)F)C1	779532836	WOGWDSOTHBYEHB-RQOWECAXSA-N	299.273	1.604	10	20	CDCD	
C[C@]1(CNCc2cc(F)cc(F)c2O)CCC(=O)N1	883140591	YTDFXRKQZLUJBY-CYBMUJFWSA-N	270.279	1.429	10	20	CDCD	
NC(=O)C1CCN(c2ccc(CNCC3CC3)cc2)CC1	886324667	BKRBXWPUGRTNHW-UHFFFAOYSA-N	287.407	1.888	10	20	CDCD	
C[C@H](NC[C@@]1(O)CCOC1)c1c(O)cccc1F	886556978	OFRSFNVNTMVQRI-ZANVPECISA-N	255.289	1.333	10	20	CDCD	
CCO[C@H](C)C(=O)NCCNCc1ccc(OC)c(C)c1	1123968811	RFPBOKFBQQNZIZ-CYBMUJFWSA-N	294.395	1.634	10	20	CDCD	
COC[C@@H](CNCc1cc(OC)c(OC)cc1O)OC	781528872	GCLYDPWEPDPJAD-LLVKDONJSA-N	285.340	1.160	10	20	CDCD	
CCc1cccc(CNC[C@H]2COCCO2)c1O	691481353	GOVDKEKXONFATP-ZDUSSCGKSA-N	251.326	1.460	10	20	CDCD	
COc1ccc(O)c(CN2[C@H](C)C(=O)N(C)[C@@H](C)[C@H]2C)c1	895922792	TVYXBXJQSMZHHC-QJPTWQEYSA-N	292.379	1.840	10	20	CDCD	
CC(C)C(=O)NCCCNC(=O)c1c(F)ccc(O)c1O	790074248	CGXFLSJHVFWTHB-UHFFFAOYSA-N	298.314	1.129	10	20	CDCD	
CCCNCCNC(=O)c1ccc(N=NC(N)=O)cc1	1153036980	AZENCBFQRMGHSS-UHFFFAOYSA-N	277.328	1.578	10	20	CDCD	
CN(C(=O)Cc1ccc(N)cc1)[C@@H]1CCSC1	37174062	ZWMVVHUYBSUNDB-GFCCVEGCSA-N	250.367	1.775	10	20	CDCD	
CCOc1ccc(N2CCN(CCCCO)CC2)cc1	1236433308	HVCIZYZRUXDBGG-UHFFFAOYSA-N	278.396	1.980	10	20	CDCD	
CSC[C@H](NCc1cc(F)cc(F)c1O)C(=O)O	1332017352	KSSACOSUOOUTLM-VIFPVBQESA-N	277.292	1.576	10	20	CDCD	
CCOc1cccc(CN2CCOC[C@@H]2C(=O)O)c1O	88382061	VJCFKINNNWBKJK-LLVKDONJSA-N	281.308	1.076	10	20	CDCD	
COc1cccc(O)c1CN1CCn2cnnc2C1	769358512	GCTYRHYPDHKNHN-UHFFFAOYSA-N	260.297	1.008	10	20	CDCD	
CC(C)c1nc(NC(=O)Cc2ccc(N)cc2)n[nH]1	1332157342	SABIKXOQXIIHSK-UHFFFAOYSA-N	259.313	1.692	10	20	CDCD	
COC(=O)c1cnc(SC[C@H]2CN(C)C(=O)O2)s1	1261262572	CJYXOBJMIIQXFY-ZCFIWIBFSA-N	288.350	1.472	10	20	CDCD	
C[C@@H](C(=O)NCc1cccc(O)c1O)c1cnn(C)c1	1347543132	XERDQMFKKZOBNU-SECBINFHSA-N	275.308	1.251	10	20	CDCD	
O=C(NCc1cccc(O)c1O)c1n[nH]c2c1CCCC2	1348048462	UFBBWPNDFRMVES-UHFFFAOYSA-N	287.319	1.630	10	20	CDCD	
CN(C(=O)c1cnc(C2CC2)nc1O)c1ccc(N)cc1	1354434940	AGRWAASQOWAQTE-UHFFFAOYSA-N	284.319	1.918	10	20	CDCD	
Cc1ccc(C(=O)N(C)[C@@H](CC(C)C)C(=O)O)c(O)c1O	1600330894	ZGEKUAAXKURDAZ-NSHDSACASA-N	295.335	1.978	10	20	CDCD	
C[C@@H](CCO)CN[C@@H](C)c1cccc(-c2nn[nH]n2)c1O	1603495181	IJKJFOQDLSQTMI-UWVGGRQHSA-N	291.355	1.241	10	20	CDCD	
C[C@@](CC(=O)O)(NCc1cc2c(cc1O)OCO2)C1CC1	1604088875	BBCQEFGQVKPAQV-HNNXBMFYSA-N	293.319	1.854	10	20	CDCD	
O=C(O)[C@]1(CNCc2ccc(Cl)cc2O)CCOC1	1601708272	DEFGBWOYAWXRSK-ZDUSSCGKSA-N	285.727	1.627	10	20	CDCD	
COc1cc(C)cc(CN[C@H]2C[C@H]3CC[C@@H]2N3)c1O	1579144335	DSSUOTYIROQKJU-AGIUHOORSA-N	262.353	1.692	10	20	CDCD	
NC(=O)c1csc(NC(=O)NCc2ccc(N)cc2)n1	1580107859	SFZKVTSXSGSFST-UHFFFAOYSA-N	291.336	1.146	10	20	CDCD	
CCC[C@](C)(NC(=O)c1ccc(C)c(O)c1O)C(=O)O	1595552892	AYBYXVYVWLXDJJ-AWEZNQCLSA-N	281.308	1.779	10	20	CDCD	
Oc1cccc(F)c1CNc1ncncc1-c1nn[nH]n1	1593539688	COMIEQGLBNGBRA-UHFFFAOYSA-N	287.258	1.114	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)C2(C(=O)O)CCC2)c1	1594373092	AVIAVMKSOKCRLS-UHFFFAOYSA-N	263.293	1.572	10	20	CDCD	
C[C@@H](N[C@@H]1CCN(CCC(=O)O)C1=O)c1ccccc1O	1599841082	KFGPTKIGFQNMBF-ZYHUDNBSSA-N	292.335	1.118	10	20	CDCD	
CCO[C@H]1C[C@@H](NC(=O)NCc2ccccc2O)C1	838062795	ZIWDDDZTDOVNRO-TXEJJXNPSA-N	264.325	1.759	10	20	CDCD	
CCc1cccc(CN2CCN3CCOC[C@H]3C2)c1O	848902006	IPAQOQPANCZUBY-OAHLLOKOSA-N	276.380	1.471	10	20	CDCD	
COc1ccc(O)c([C@@H](C)N[C@@H](C)C(=O)N(C)C)c1	36794240	CNTXMKCFECEOCA-ZJUUUORDSA-N	266.341	1.528	10	20	CDCD	
Cc1[nH]ncc1S(=O)(=O)NCc1ccc(N(C)C)cc1	40809107	SGMDGFWBSYKXSC-UHFFFAOYSA-N	294.380	1.263	10	20	CDCD	
C[C@@H](NCC1(S(C)(=O)=O)CC1)c1ccc(N(C)C)cc1	280904228	GATPOUTUPDJBBM-GFCCVEGCSA-N	296.436	1.980	10	20	CDCD	
CCOc1cccc(CNC(COC)COC)c1O	388369472	CCQIJRWOSVBUKS-UHFFFAOYSA-N	269.341	1.542	10	20	CDCD	
C[C@H]1CC[C@@H](CNC(=O)c2cccc(O)c2O)O1	398114417	TYNHPOIZMUUOLQ-IUCAKERBSA-N	251.282	1.395	10	20	CDCD	
O=C(N[C@@H]1C[C@H]1C(F)(F)F)c1cccc(O)c1O	871207870	GDTRYPULEHRLAL-RNFRBKRXSA-N	261.199	1.778	10	20	CDCD	
COCC[C@@H](C)NC(=O)N(C)Cc1ccccc1O	102024017	BSLJZOMRBXNOIN-LLVKDONJSA-N	266.341	1.959	10	20	CDCD	
COC(=O)CCN1CCCN(c2ccc(OC)cc2)CC1	52465889	KSRLZDUTIOTJNE-UHFFFAOYSA-N	292.379	1.770	10	20	CDCD	
CCS(=O)(=O)CCN[C@H](C)c1ccc(C)cc1O	185331188	PDGBWQWVNVBIEX-LLVKDONJSA-N	271.382	1.786	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2CC(=O)N1CCCC1	181135503	DNAKFKRAXFYLCU-UHFFFAOYSA-N	289.379	1.574	10	20	CDCD	
O[C@H]1CC[C@H](CNCc2ccc(N3CCOCC3)cc2)C1	188847745	FFAMVTFIBYEPEC-RDJZCZTQSA-N	290.407	1.774	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)NCCN(C)C	133696094	SLDRNYHKGYJXIM-UHFFFAOYSA-N	278.400	1.422	10	20	CDCD	
CCc1cc(C(=O)N(C)Cc2ccccc2O)[nH]n1	97496538	BPSRZDGPUFVLCN-UHFFFAOYSA-N	259.309	1.950	10	20	CDCD	
Cc1cc(C(=O)NCCO)c(C)n1-c1ccccn1	97250926	VEZWEZQXAHHHEU-UHFFFAOYSA-N	259.309	1.211	10	20	CDCD	
Nc1ccc(CC(=O)NCCCO[C@H]2CCOC2)cc1	238111999	MRRIDBKFTVPQHA-AWEZNQCLSA-N	278.352	1.123	10	20	CDCD	
CCN(CC)c1ccc(CN2CCO[C@H](C(N)=O)C2)cc1	92735786	JLVWHWIMJIRRGR-HNNXBMFYSA-N	291.395	1.219	10	20	CDCD	
COC(=O)CN(Cc1cccc(OC)c1O)C(C)C	93287248	KBVFDBNKALKVJP-UHFFFAOYSA-N	267.325	1.784	10	20	CDCD	
CN(C)c1ccc(CN(C)c2nccn(C)c2=O)cc1	266170415	QXZZEQLWNYKQJR-UHFFFAOYSA-N	272.352	1.483	10	20	CDCD	
OC[C@@H]1C[C@H](O)CN1Cc1c(O)ccc(Cl)c1F	364867284	XDSKJWYLAXPBHQ-YUMQZZPRSA-N	275.707	1.112	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NCc2cccnn2)cc1	277841604	KPRLEJXDIVQFEJ-UHFFFAOYSA-N	285.351	1.542	10	20	CDCD	
CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1c(F)ccc(O)c1O	276619221	QRTAUUFUUDMADK-HTQZYQBOSA-N	298.314	1.270	10	20	CDCD	
COc1cc(O)c(CNC[C@]2(O)CCSC2)cc1OC	271773385	CBZYZXGJJPIWPT-CQSZACIVSA-N	299.392	1.367	10	20	CDCD	
CCN(CCOC)Cc1ccc([N+](=O)[O-])c(OC)c1O	278229446	MMWTWJXAWLHGKD-UHFFFAOYSA-N	284.312	1.777	10	20	CDCD	
Cc1nc2n(n1)CCN(Cc1ccc(N(C)C)c(F)c1)C2	271206130	WFEAKAGFRNVEHP-UHFFFAOYSA-N	289.358	1.807	10	20	CDCD	
CC1(C(=O)NCc2ccc(N3CCCC3)cc2)COC1	272833408	NGHNLXZCDSDYEZ-UHFFFAOYSA-N	274.364	1.940	10	20	CDCD	
COC(=O)[C@@H](C)CNC(=O)/C=C/c1ccc(O)c(O)c1	272461824	ONAMWKNEKIVAIM-DNQSNQRASA-N	279.292	1.036	10	20	CDCD	
CN(C)c1ccc(CN2C(=O)N[C@@H](C3CC3)C2=O)cc1F	277731334	IQAKUSMKGGQMDL-ZDUSSCGKSA-N	291.326	1.722	10	20	CDCD	
COc1cc(N2C[C@H]3COC[C@H]3C2)c([N+](=O)[O-])cc1OC	376474625	OODXTQYJVPLDAU-AOOOYVTPSA-N	294.307	1.695	10	20	CDCD	
COCC[C@@H](CO)NCc1ccc(OC)c(C)c1	282247317	OJUWEFRXHHFKEG-ZDUSSCGKSA-N	253.342	1.491	10	20	CDCD	
CC(F)(F)C(=O)NCc1ccc(N2CCOCC2)cc1	288562013	MJMDSDFWDAIRCR-UHFFFAOYSA-N	284.306	1.795	10	20	CDCD	
Cc1ccc(C(=O)N2CCC[C@](C)(O)CC2)c(O)c1O	280480534	GGCGXHHSLWNKRT-HNNXBMFYSA-N	279.336	1.783	10	20	CDCD	
Cc1ccc(C(=O)NCC[C@H](C)CCO)c(O)c1O	295905276	IDYBFEYFCFUPMP-VIFPVBQESA-N	267.325	1.545	10	20	CDCD	
COC(=O)c1cnc(SCC(OC)OC)s1	295429966	YYCFKTUPIPARPE-UHFFFAOYSA-N	263.340	1.641	10	20	CDCD	
COC(=O)c1cnc(NCc2cc(OC)ccc2O)nc1	804459039	MDHQWLRGIJLMHW-UHFFFAOYSA-N	289.291	1.590	10	20	CDCD	
CCN(Cc1ccc(N2CCN(C)CC2)cc1)[C@@H](C)CO	816654037	RKOFILVKLZMPQM-HNNXBMFYSA-N	291.439	1.641	10	20	CDCD	
Cn1cc(/C=C/C(=O)N2C[C@H](CO)c3ccccc32)cn1	817782472	MCCDPMNIUVIALX-KTRBRXNASA-N	283.331	1.556	10	20	CDCD	
COC[C@@H](O)CNc1ccccc1OCC(F)F	819460676	UZQQLDOWDIJARO-VIFPVBQESA-N	261.268	1.750	10	20	CDCD	
Cn1cc(CNCc2ccc3ccccc3c2O)nn1	816567262	VTEZSICIQSXLRM-UHFFFAOYSA-N	268.320	1.964	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)C(C)(C)CN)c1	828666941	KGXQFUQBWNPWCS-SECBINFHSA-N	266.341	1.563	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N[C@H]1CC[C@@H](CO)CC1	588404772	GSPBHNOXZNDVCU-WCYATECHSA-N	291.347	1.778	10	20	CDCD	
CN(C(=O)c1cc(O)cs1)[C@@H]1CCCCNC1=O	825475578	SCJMUSVLVNWBOY-SECBINFHSA-N	268.338	1.194	10	20	CDCD	
C[C@H]1CC[C@@H](CNC(=O)NCc2ccccc2O)O1	838059503	BOARIBORRQXOSW-JQWIXIFHSA-N	264.325	1.759	10	20	CDCD	
Cc1cc(CNC(=O)NCc2ccccc2O)n[nH]1	738480192	JPDMCNCQMDDQEM-UHFFFAOYSA-N	260.297	1.423	10	20	CDCD	
CCOc1ccc(CN[C@@H](CO)C2CC2)c(O)c1	734163206	BZZQKJYLWXBFCU-ZDUSSCGKSA-N	251.326	1.651	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NC[C@H]2CCCCN2)cc1	841655354	RISFWQXKPQTOOK-CQSZACIVSA-N	290.411	1.694	10	20	CDCD	
CCNCCNCc1cc(Cl)cc([N+](=O)[O-])c1O	841038120	WOGWLTBYUOUORN-UHFFFAOYSA-N	273.720	1.653	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC1(CO)CCOCC1	840934368	PSIWHUJOCSAXKW-UHFFFAOYSA-N	278.396	1.692	10	20	CDCD	
CC(C)N1CC[C@H](OC(=O)c2cc(O)cs2)C1=O	746982545	OFDRCXQRDGYFOF-VIFPVBQESA-N	269.322	1.620	10	20	CDCD	
COc1cccc([C@@H](C)NCC2(O)CCN(C)CC2)c1O	846142772	CJEPJKPVCDLAJZ-GFCCVEGCSA-N	294.395	1.508	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N2CC[C@H](CN)C2)cc1F	841758321	ANBZVBNAKCJXQE-GFCCVEGCSA-N	294.374	1.382	10	20	CDCD	
COc1cccc([C@H](C)NCCC(=O)NC(C)C)c1O	846139762	ZCRVERKEVHNGCX-NSHDSACASA-N	280.368	1.966	10	20	CDCD	
Cc1ccc(C(=O)N2[C@H](C)C(=O)N[C@H](C)[C@H]2C)c(O)c1O	911794347	HTOBXLZMYQKCOU-OPRDCNLKSA-N	292.335	1.144	10	20	CDCD	
COc1cccc([C@H](C)NC[C@H]2CCCNC2=O)c1O	846170045	VDJXIBUASCTJOY-WDEREUQCSA-N	278.352	1.578	10	20	CDCD	
C[C@H]1CCCCN1C(=O)C(=O)Nc1ccc(N)cc1	841009829	HRYZMBJHHQJKKM-JTQLQIEISA-N	261.325	1.608	10	20	CDCD	
CCN1CCC(NC[C@H](N)c2ccc(N(C)C)cc2)CC1	841045109	HXKUWPTXENTHKF-KRWDZBQOSA-N	290.455	1.826	10	20	CDCD	
CCNC(=S)N(C)CCN(C)c1ccc(OC)cc1	844582512	KQLNJOAVFWFBDE-UHFFFAOYSA-N	281.425	1.958	10	20	CDCD	
CCc1cccc(CN2CCS(=O)(=O)CC[C@@H]2C)c1O	848907396	NGJDJDCDGPVIHR-LBPRGKRZSA-N	297.420	1.964	10	20	CDCD	
CN1CC[C@@H]1CNCc1ccc(N2CCC(O)CC2)cc1	922575385	YFBCVTJOVXREQK-MRXNPFEDSA-N	289.423	1.441	10	20	CDCD	
CC[C@@H](O)CNCc1ccc(N2CCC(O)CC2)cc1	853122901	VMRMVVLRFRFWKF-OAHLLOKOSA-N	278.396	1.508	10	20	CDCD	
Cc1cnc(COC(=O)/C=C/c2ccc(O)c(O)c2)cn1	759594400	NHCGUZMCULYAEM-HWKANZROSA-N	286.287	1.953	10	20	CDCD	
COc1ccc(O)c(CNC(=O)C2CSC2)c1	866767326	PPBHAYANZVAYBO-UHFFFAOYSA-N	253.323	1.380	10	20	CDCD	
O=C(O)C1(NCc2c(O)cccc2Br)CC1	864503900	JOMZGAZMQBLRRM-UHFFFAOYSA-N	286.125	1.862	10	20	CDCD	
CN(C)c1cc(F)c(CN2CCn3cnnc3C2)cc1F	862241212	WHZHDEBGHJFYMA-UHFFFAOYSA-N	293.321	1.638	10	20	CDCD	
CC[C@@H](CO)N(C)Cc1ccc(N2CCC(O)CC2)cc1	877555742	ADVVWLRSBSMYCK-HNNXBMFYSA-N	292.423	1.850	10	20	CDCD	
CCNC(=O)CN(C)Cc1ccc(N(C)CC)cc1	773730745	QLRHFZOLTQVYCR-UHFFFAOYSA-N	263.385	1.711	10	20	CDCD	
C[C@H](NCCOCCN(C)C)c1cc([N+](=O)[O-])ccc1O	774377103	PXVBRYZMOZTAPF-NSHDSACASA-N	297.355	1.529	10	20	CDCD	
Cc1cccc(O)c1CN(CCS(C)(=O)=O)C(C)C	876773004	LFZBETGYSYWDTA-UHFFFAOYSA-N	285.409	1.956	10	20	CDCD	
Cc1ccc(CN(C)[C@H](C)[C@@H](C)S(C)(=O)=O)c(O)c1	876739344	OWBNBNPPAVWTLB-VXGBXAGGSA-N	285.409	1.954	10	20	CDCD	
CC1(C)OC[C@H](CNC(=O)/C=C\c2ccc(O)c(O)c2)O1	779533582	YWJZKEGCKMSFRS-QZPNVGJNSA-N	293.319	1.379	10	20	CDCD	
COC[C@@H](CN[C@H](C)c1c(O)cccc1F)OC	886588772	YONMSRWVZVNHLX-NXEZZACHSA-N	257.305	1.843	10	20	CDCD	
CON(C)CCNCc1cc(F)c(N(C)C)cc1F	883171401	XIAMTGKDACBESJ-UHFFFAOYSA-N	273.327	1.614	10	20	CDCD	
CN1CCN(c2ccc(CNC(=O)c3ccoc3)cc2)CC1	881849700	UAWJRRJYSALDPW-UHFFFAOYSA-N	299.374	1.961	10	20	CDCD	
Cc1nc([C@@H]2CCN(Cc3cc(F)ccc3O)C2)n[nH]1	895008222	TZEBHIGSNRADJB-SNVBAGLBSA-N	276.315	1.947	10	20	CDCD	
CC[C@H](C)[C@H](OC)C(=O)NCCc1ccc(O)c(O)c1	793681290	NQGIDEDMYBYDRB-HZMBPMFUSA-N	281.352	1.818	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C1=CCOCC1	793796477	KNFNBLUTLNCFPB-JTQLQIEISA-N	277.320	1.492	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CSCN1	37801142	GBAXTQWYINRYNL-ZDUSSCGKSA-N	279.409	1.374	10	20	CDCD	
Nc1ccc(CN2CC[C@H](CN3CCCC3=O)C2)cc1	1334754880	USNCXGGPWCPQRQ-AWEZNQCLSA-N	273.380	1.713	10	20	CDCD	
CCn1nccc1CNC(=O)NCc1ccc(N)cc1	1335610056	OAYZAQUASTVHAO-UHFFFAOYSA-N	273.340	1.485	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2C[C@@H](C(=O)O)C2)c1	1263633243	LQDSKVVVRKCTCG-BBBLOLIVSA-N	293.319	1.689	10	20	CDCD	
COC(=O)NC1CN(Cc2c(O)cccc2Cl)C1	1348075195	NPHSROSDHWLNMH-UHFFFAOYSA-N	270.716	1.586	10	20	CDCD	
C[C@H](NC(=O)NCc1ccc(N)cc1)C(=O)N1CCCC1	1346739374	QDIZPESYVVIAMP-NSHDSACASA-N	290.367	1.079	10	20	CDCD	
Cc1c(CNC(=O)NCc2ccc(N)cc2)cnn1C	1353493210	UDNLKZFBVLHMAX-UHFFFAOYSA-N	273.340	1.310	10	20	CDCD	
O=C(O)[C@H]1COCCN1Cc1cccc(Cl)c1O	1610746878	WCXHYVWVPVHIGY-SNVBAGLBSA-N	271.700	1.331	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H]1CC[C@H]1C(=O)O	1596586792	KABODDNABASFRH-VHSXEESVSA-N	298.335	1.605	10	20	CDCD	
CN(C)c1ccc(CN2[C@@H](C(=O)O)CC[C@@H]2C(=O)O)cc1	1777039401	VNHARNUSZQUANJ-CHWSQXEVSA-N	292.335	1.255	10	20	CDCD	
CCN(C)c1ccc(CN2CCO[C@](C)(C(=O)O)C2)cc1	1776856107	QALGHBIMNWCXBH-INIZCTEOSA-N	292.379	1.818	10	20	CDCD	
CN(C)c1ccc(CNCCSCC(=O)O)cc1	1777040036	LEBOJMCTNMVPHU-UHFFFAOYSA-N	268.382	1.660	10	20	CDCD	
C[C@H](CNCc1cc([N+](=O)[O-])ccc1O)C(=O)O	1776426558	PLBSYUSZJQIVLA-SSDOTTSWSA-N	254.242	1.111	10	20	CDCD	
CN(C)c1ccc(CN2CCCC[C@H]2C(N)=O)cc1	161979020	WNCWNKZIJBORNL-AWEZNQCLSA-N	261.369	1.592	10	20	CDCD	
CN1CCC[C@H](NCc2ccc3c(c2)CCCO3)C1=O	921813228	CSDUUSFIVJMJQO-AWEZNQCLSA-N	274.364	1.722	10	20	CDCD	
C[C@H](Cc1cnn(C)c1)NCc1cc(F)ccc1O	825045873	NHZHDROYLUXZDD-SNVBAGLBSA-N	263.316	1.986	10	20	CDCD	
CC(C)CN(CCN(C)C)C(=O)c1cccc(O)c1O	126344627	LWZPMQQNOSTQSU-UHFFFAOYSA-N	280.368	1.758	10	20	CDCD	
CCOC[C@@H]1CCN(C(=O)Cc2ccc(N)cc2)C1	236971834	RBZXUWMSSGFPGA-CYBMUJFWSA-N	262.353	1.696	10	20	CDCD	
c1cnn(CCNCc2ccc3c(c2)CCCO3)c1	921579031	OOFSGBXFGIPXCC-UHFFFAOYSA-N	257.337	1.998	10	20	CDCD	
CCS(=O)(=O)CCCNCc1ccc2c(c1)CCCO2	922183220	BDCBUCOXXYAROV-UHFFFAOYSA-N	297.420	1.926	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@]2(O)CCSC2)cc1F	130654989	BDYXSSZAEUSMJW-CQSZACIVSA-N	298.383	1.376	10	20	CDCD	
C[C@]1(NC(=O)/C=C/c2ccc(O)c(O)c2)CCOC1	272351072	AGPKXYKXZNAELO-KQIUPUNMSA-N	263.293	1.406	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H](C)C(=O)OCC(C)C)c(O)c1O	272985596	MHQFKVMNHFNNLU-JTQLQIEISA-N	295.335	1.724	10	20	CDCD	
CCC[C@@](C)(O)CNC(=O)/C=C/c1ccc(O)c(O)c1	272595713	GMMRXJYXUDZYOF-KEDPEKRHSA-N	279.336	1.778	10	20	CDCD	
Cc1ccc(O)c(CNCCN2CCN(C)C(C)(C)C2)c1	282303327	JWVIJOFHBFZHDW-UHFFFAOYSA-N	291.439	1.816	10	20	CDCD	
CCN(CCOCCO)Cc1cc(C)c(C)cc1O	282890881	ZHXNTZVGTDQFNX-UHFFFAOYSA-N	267.369	1.840	10	20	CDCD	
O=C(NCc1ccccc1O)c1n[nH]c2c1CCC2	299454612	ACWRFBVGGLEFHZ-UHFFFAOYSA-N	257.293	1.534	10	20	CDCD	
O=C(OCc1ncnn1CCF)c1cc(O)cs1	801262045	HUUHNLZXPFRDOP-UHFFFAOYSA-N	271.273	1.372	10	20	CDCD	
Cc1cc(O)c(CNCCN2CCC(O)CC2)cc1C	294866402	OWFKDRFPRDEGIY-UHFFFAOYSA-N	278.396	1.555	10	20	CDCD	
CC(=O)C(=O)CSc1nc2ccccc2c(=O)n1C	808013440	CCBMYUNVINMQMV-UHFFFAOYSA-N	276.317	1.184	10	20	CDCD	
OC/C=C/CNCc1cccc(Br)c1O	717526407	YKZMTGPXAIGHFL-OWOJBTEDSA-N	272.142	1.793	10	20	CDCD	
COc1cc(O)c(CN(C)C[C@@H]2CCCN2C)cc1OC	817374134	IDWZMPKRCXYTIC-ZDUSSCGKSA-N	294.395	1.935	10	20	CDCD	
CN(CC(=O)O)Cc1cc(Cl)cc([N+](=O)[O-])c1O	820568697	AHVWTFOCSJVWQJ-UHFFFAOYSA-N	274.660	1.470	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)NN1CCCCC1	588407574	ASRXFDUQGQHWNM-ALCCZGGFSA-N	262.309	1.628	10	20	CDCD	
CC(C)N(C)CCCNC(=O)c1cc(O)cs1	732269971	NDLSPXCJDZSHFI-UHFFFAOYSA-N	256.371	1.914	10	20	CDCD	
C[C@H](NC(=O)c1cc(O)n(C)n1)c1ccc(N(C)C)cc1	832430630	GQPIZGUTQQZXCF-JTQLQIEISA-N	288.351	1.683	10	20	CDCD	
COC[C@H](O)CN[C@H](C)c1ccc(Cl)cc1O	841754041	YRGXKLMDVNBFBB-PSASIEDQSA-N	259.733	1.704	10	20	CDCD	
C[C@H](COCC1CC1)NC(=O)C(=O)Nc1ccc(N)cc1	846324140	NYXBAGBPLPMZPJ-SNVBAGLBSA-N	291.351	1.139	10	20	CDCD	
O=C(CC1(O)CCC1)NCc1ccc(O)cc1O	910944500	MZPKXARHRPFCSM-UHFFFAOYSA-N	251.282	1.019	10	20	CDCD	
CCOc1ccc(O)c(CN2CC[C@@](C)(CN)C2)c1	843116248	KAZPMHHCGGMJDS-HNNXBMFYSA-N	264.369	1.962	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)N[C@H]1[C@@H]2CNC[C@@H]21	841999168	BOAOJLMBNBFLNN-NHAGDIPZSA-N	289.379	1.532	10	20	CDCD	
COc1ccc(O)c(CNC(=O)CCn2cccc2)c1	748039665	OUVOUNQRJWPJBH-UHFFFAOYSA-N	274.320	1.909	10	20	CDCD	
COc1ccc(CN[C@@]2(C(=O)O)CCOC2)cc1C	841801173	OSTYNANXBWPODG-AWEZNQCLSA-N	265.309	1.337	10	20	CDCD	
C[C@H](Cc1cnc[nH]1)C(=O)NCc1ccc(N(C)C)cc1	847296339	FLCVHWGLVBDCEH-GFCCVEGCSA-N	286.379	1.971	10	20	CDCD	
COc1ccc(N(C)Cc2nnnn2C)cc1Cl	757856614	DEGMHLRSETXVSN-UHFFFAOYSA-N	267.720	1.509	10	20	CDCD	
C[C@H](N)CN(Cc1ccccc1O)C[C@H]1CCCO1	843356121	GEEJTWITIMSWMS-GXTWGEPZSA-N	264.369	1.720	10	20	CDCD	
COc1cccc(CNC[C@H]2CC(=O)N(C3CC3)C2)c1O	846075488	PABGSHPCKHDEJB-LLVKDONJSA-N	290.363	1.501	10	20	CDCD	
COc1cccc(CNC[C@H]2CCCCN2)c1O	841033407	UCRAAWHHLDTOKA-GFCCVEGCSA-N	250.342	1.633	10	20	CDCD	
Oc1cccc2c1[C@H](NCC[C@]1(O)CCCOC1)CC2	846211022	FLPCSTGFJURHRV-CZUORRHYSA-N	277.364	1.901	10	20	CDCD	
CCNCC(=O)N1CCCN(c2ccc(OC)cc2)CC1	844175805	UWGYNVBHOFMASY-UHFFFAOYSA-N	291.395	1.343	10	20	CDCD	
CN(CC1=CCCOC1)C(=O)/C=C\c1ccc(O)c(O)c1	855739055	FMDNCJUNAYFDOF-ALCCZGGFSA-N	289.331	1.916	10	20	CDCD	
O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccc(O)c(F)c1	755590333	KAFIWVCFJLAURS-XYOKQWHBSA-N	298.273	1.993	10	20	CDCD	
Cc1nnc(CN(C)Cc2cc3c(cc2O)OCO3)s1	853617903	STFAXHFZDRQDDH-UHFFFAOYSA-N	293.348	1.913	10	20	CDCD	
CNS(=O)(=O)CCCN[C@@H](C)c1cc(C)ccc1O	866458113	YRJAGZFDJSTVNL-NSHDSACASA-N	286.397	1.291	10	20	CDCD	
COC(=O)CN(Cc1cc(OC)c(C)cc1O)C1CC1	768465283	ZFKRQWGBKRILAQ-UHFFFAOYSA-N	279.336	1.847	10	20	CDCD	
Oc1cc2c(cc1CN1CCCOCC1)[C@@H](O)CO2	768445778	UIVMELBVDICEAW-ZDUSSCGKSA-N	265.309	1.040	10	20	CDCD	
O=C(OCc1cn2cccnc2n1)c1cc(O)cs1	762883936	CAJKGBAFPNFFNZ-UHFFFAOYSA-N	275.289	1.853	10	20	CDCD	
N=c1cc[nH]c(C(=O)NCCCSc2nccs2)n1	865935494	OFUXPIJRQDVBKT-UHFFFAOYSA-N	295.393	1.258	10	20	CDCD	
COC(=O)N1CCC(C(=O)N(C)c2ccc(N)cc2)CC1	877075025	YPAAAMILULNNHZ-UHFFFAOYSA-N	291.351	1.710	10	20	CDCD	
Cc1ccc(CNC[C@H](O)c2cnn(C)c2)c(O)c1	877072945	YLLKSJUXSHNIDZ-AWEZNQCLSA-N	261.325	1.257	10	20	CDCD	
COCC1(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)CC1	773739075	AFMSBWHJMDOMDR-JTQLQIEISA-N	279.336	1.572	10	20	CDCD	
Cc1cccc(O)c1CN1CCN(C(C)(C)C(N)=O)CC1	876773241	XENPRUQLJNFJAQ-UHFFFAOYSA-N	291.395	1.082	10	20	CDCD	
CCOc1ccc(O)c(CN(C)[C@@H]2CCNC2=O)c1	770382892	SVQGUVNJCGQACL-GFCCVEGCSA-N	264.325	1.111	10	20	CDCD	
CC[C@@H](NCc1ccc(C)cc1O)C(=O)N1CCOCC1	877077169	YJJCVKUCGHKYFT-CQSZACIVSA-N	292.379	1.428	10	20	CDCD	
CC[C@]1(O)CCN(Cc2ccc([N+](=O)[O-])c(OC)c2O)C1	775090512	RMLBIGRLWOEUQK-AWEZNQCLSA-N	296.323	1.656	10	20	CDCD	
COCCO[C@@H]1CCN(Cc2c(C)cccc2O)C1	877460519	UHOQGCRWPQXOMO-CYBMUJFWSA-N	265.353	1.938	10	20	CDCD	
CC(C)c1cc(C(=O)NCc2cccc(O)c2O)nn1C	1123887405	BYCKEQXLSZLOCA-UHFFFAOYSA-N	289.335	1.885	10	20	CDCD	
CCOc1ccc(CNC[C@]2(O)CCO[C@@H]2C)c(O)c1	788532969	BFWXJCPDVFSVGC-IAQYHMDHSA-N	281.352	1.420	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H](C)C(=O)O	780578754	XYJBFEQVTSDLTK-JTQLQIEISA-N	279.340	1.333	10	20	CDCD	
CCO[C@H]1C[C@](O)(CNC(=O)c2cc(O)cs2)C1(C)C	789919036	QWQWBULKYOYJCW-FZMZJTMJSA-N	299.392	1.750	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)CC1OCCO1	789964404	QWZXAGUUIXLFOE-UHFFFAOYSA-N	292.379	1.864	10	20	CDCD	
CC(=O)OC(C)(C)C(=O)OCC(=O)c1ccc(O)c(O)c1	792352282	MQQIYQUOFNYWBZ-UHFFFAOYSA-N	296.275	1.165	10	20	CDCD	
CCN(CC)c1ccc(CN[C@H](CC(=O)O)C(=O)O)cc1	75423932	FIVBCQLPHBPIPF-CYBMUJFWSA-N	294.351	1.550	10	20	CDCD	
COCC[C@@H](C)S(=O)(=O)NCc1cc(C)ccc1O	1328853878	ZDXXKOPWQPDRFE-LLVKDONJSA-N	287.381	1.545	10	20	CDCD	
C[C@@H](CC(=O)NCc1ccc(N)cc1)[C@@H]1CCCNC1	1263303725	GGMAREPVXSKIQJ-GXTWGEPZSA-N	275.396	1.911	10	20	CDCD	
C[C@@H]1CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)[C@@H]1CO	1348582743	WGPKDEFSBZZACY-BVKQBWKVSA-N	291.347	1.730	10	20	CDCD	
C[C@H]1CNc2c(C(=O)NCc3ccccc3O)cnn2C1	1528037732	PGMXQFGLKIMAJV-JTQLQIEISA-N	286.335	1.580	10	20	CDCD	
O=C(O)c1ccc(COC(=O)c2cccc(O)c2O)o1	1602352117	YOZWNFUDRZPDTE-UHFFFAOYSA-N	278.216	1.746	10	20	CDCD	
CN(C)c1ccc(CNc2nccnc2C(=O)O)cc1	1610105813	XPFIIMFJXMPZEV-UHFFFAOYSA-N	272.308	1.853	10	20	CDCD	
Oc1c(CN2C[C@H]3CCNC[C@H]3C2)ccc(F)c1F	1580885748	MIFRAONYYKZSSP-KOLCDFICSA-N	268.307	1.712	10	20	CDCD	
CC1(C)C[C@@]1(C(=O)O)C(=O)NCc1cc(O)ccc1O	1589218430	TYTZKPWVBLTQGI-AWEZNQCLSA-N	279.292	1.215	10	20	CDCD	
O=C(Cc1ccc(O)c(O)c1)NCc1ccc2c(c1)CNC2	1580570263	URYALKBUEIKLAM-UHFFFAOYSA-N	298.342	1.560	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2CCC[C@H]2C(=O)O)c1O	1599345234	SOWIGVJJTFRGSE-JTQLQIEISA-N	296.279	1.358	10	20	CDCD	
O=C(O)[C@H]1C[C@H](NCc2ccc(Cl)cc2O)C1	1595201479	FCDLJOFSGIMERW-CZMCAQCFSA-N	255.701	1.998	10	20	CDCD	
O=C(O)C[C@@H]1CCCCN1C(=O)c1cc(O)cs1	1594984558	KOSRZGWPZCFCON-QMMMGPOBSA-N	269.322	1.923	10	20	CDCD	
C[C@@H](O)[C@@H](NCc1ccc(N2CCCCC2)cc1)C(=O)O	1776463908	NMNMAPIIDICFCP-IUODEOHRSA-N	292.379	1.601	10	20	CDCD	
CC(C)(C)c1cnc(SCCS(N)(=O)=O)s1	164142269	QNVOKXCKTGJOFJ-UHFFFAOYSA-N	280.440	1.821	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2Cc1cnnn1C	154908503	UTLPAMOFSVZJJX-UHFFFAOYSA-N	273.340	1.280	10	20	CDCD	
COc1cc(NCCc2ccc(O)c(O)c2)ncn1	811811648	ZLOKBCYIWFZXNJ-UHFFFAOYSA-N	261.281	1.551	10	20	CDCD	
O=C(NCC1(CO)CCCC1)c1cccc(O)c1O	126633878	NTRPPWUYFMMQLP-UHFFFAOYSA-N	265.309	1.380	10	20	CDCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@H]2NCCS(C)(=O)=O	37740556	GSCDFOMLJNAJLA-WDEREUQCSA-N	283.393	1.883	10	20	CDCD	
CCN(CCCNCc1ccccc1O)S(C)(=O)=O	38035331	PZCSAQOSTJWKRU-UHFFFAOYSA-N	286.397	1.153	10	20	CDCD	
COc1ccc(O)c(CNCCN2CC=CCC2)c1	279771215	KGWGXLFEYOXGSK-UHFFFAOYSA-N	262.353	1.752	10	20	CDCD	
OC[C@@]1(NCc2ccc3c(c2)CCCO3)CCOC1	921994050	OTRWOYNTCMORGN-HNNXBMFYSA-N	263.337	1.253	10	20	CDCD	
CCCOCC(=O)N1CCN(c2ccc(OC)cc2)CC1	65530315	JLFXRQAGTRNWNK-UHFFFAOYSA-N	292.379	1.770	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)COC(C)(C)C	186431390	AMAHUWCHMKRAPE-JTQLQIEISA-N	281.352	1.960	10	20	CDCD	
C[C@]1(O)CCN(Cc2cc3c(cc2O)OCO3)C1	180198073	JIQGHZCUNRXCTJ-ZDUSSCGKSA-N	251.282	1.078	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N[C@H]2C[C@H](O)C2(C)C)cc1	186964475	YHTNTVMNBZQJOW-KBPBESRZSA-N	291.395	1.711	10	20	CDCD	
COC(=O)N1CC(N[C@@H](C)c2ccccc2O)C1	183622501	SWGHMFJQEBXAKQ-VIFPVBQESA-N	250.298	1.493	10	20	CDCD	
C[C@@H]1OCC[C@@]1(O)CNCc1cc(F)ccc1O	228094840	KLRHJCUOFNMSKH-TVQRCGJNSA-N	255.289	1.161	10	20	CDCD	
Nc1ccc(CCNC(=O)COC[C@@H]2CCCO2)cc1	238126136	CIGZHUFGMUXPQX-AWEZNQCLSA-N	278.352	1.123	10	20	CDCD	
CN(Cc1nnc[nH]1)C(=O)NCc1ccc(N(C)C)cc1	267910606	LUNXCWNSQLBXCM-UHFFFAOYSA-N	288.355	1.212	10	20	CDCD	
C[C@H](CO[C@H]1CCOC1)NC(=O)c1cccc(O)c1O	279360112	SQLGIPOOYUUAIY-ZJUUUORDSA-N	281.308	1.022	10	20	CDCD	
Oc1ccccc1CN1CCN([C@@H]2CCC[C@H]2O)CC1	361053448	RKPNMZZNCDQSKM-GDBMZVCRSA-N	276.380	1.423	10	20	CDCD	
CCOC1CC(O)(CNC(=O)c2ccc(C)c(O)c2O)C1	278147103	OBVKYAZURNYDBW-UHFFFAOYSA-N	295.335	1.066	10	20	CDCD	
Cc1c(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cnn1C	273129580	BGYPPRVJXHYUID-SECBINFHSA-N	289.335	1.501	10	20	CDCD	
CN1CCCc2cc(CN3C(=O)CNC3=O)ccc21	272543380	XQVPHHZMUUTMPO-UHFFFAOYSA-N	259.309	1.121	10	20	CDCD	
C[C@@H]1CN(Cc2cc3c(cc2O)OCO3)CC[S@@](=O)C1	277564691	SDCZFIWAYYYFSV-CFMSYZGJSA-N	297.376	1.321	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2cccnc2F)c1	806858345	KUKPAQLUUTWBRQ-UHFFFAOYSA-N	276.267	1.865	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CCN(C)C2)c1	729535370	QBLXCJGELOFLPV-QWRGUYRKSA-N	278.352	1.530	10	20	CDCD	
O=C(O)CCCCNC(=O)/C=C\c1ccc(O)c(O)c1	821518104	WEQOHGSECQUZMU-ALCCZGGFSA-N	279.292	1.482	10	20	CDCD	
COc1cc(O)c(CN[C@H]2C[C@H](C(=O)OC)C2)cc1OC	827812209	FVMDEWBSBYFPQF-HOMQSWHASA-N	295.335	1.451	10	20	CDCD	
COCCS(=O)(=O)N[C@H](C)c1cc(OC)ccc1O	739961871	ILMFGWOWDZQMMA-SECBINFHSA-N	289.353	1.028	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@H]2C[C@H]2C(=O)O)cc1F	737377343	LIFQDPMXFXNJMD-VHSXEESVSA-N	280.299	1.229	10	20	CDCD	
COC[C@](C)(CC(=O)O)NCc1ccc(OC)c(C)c1	901795614	OSVYSFZRHZYJNJ-HNNXBMFYSA-N	281.352	1.973	10	20	CDCD	
CC(C)(C)C[C@H](O)CNC(=O)c1cc(O)cs1	735329993	FHXNELVWOAXUSL-VIFPVBQESA-N	257.355	1.981	10	20	CDCD	
CC(=O)NCCN(C)Cc1ccc(N(C)C)c(C)c1	830148433	WRYWMOIQKUDNPS-UHFFFAOYSA-N	263.385	1.629	10	20	CDCD	
CCN1CCCC[C@H]1C(=O)NCCc1ccc(N)cc1	832659205	SUYTUXLASWWKBN-HNNXBMFYSA-N	275.396	1.802	10	20	CDCD	
C[C@H](NCc1cc(Cl)cc([N+](=O)[O-])c1O)C(=O)O	739030660	BTRATKVEVSISOJ-YFKPBYRVSA-N	274.660	1.517	10	20	CDCD	
CC(C)n1cc(CNC(=O)c2cccc(O)c2O)nn1	848116950	FYVDLFDGACVBJN-UHFFFAOYSA-N	276.296	1.200	10	20	CDCD	
COc1cc(O)c(CN2CCN[C@H](C)[C@H]2C)cc1OC	843057817	LVOCMMDCIYRZKL-GHMZBOCLSA-N	280.368	1.592	10	20	CDCD	
Cc1nccc(CNC(=O)NCc2ccccc2O)n1	748460357	OSERRZOVTSQOMJ-UHFFFAOYSA-N	272.308	1.490	10	20	CDCD	
CO[C@@H](CC(=O)NCc1ccc(O)c(O)c1)C(F)(F)F	845833338	FQNBJAPFQHFSSK-JTQLQIEISA-N	293.241	1.681	10	20	CDCD	
C[C@H](CCO)N(C)C(=O)/C=C\c1ccc(O)c(O)c1	846602188	QEXHXXISCVFRML-AYYIZTPMSA-N	265.309	1.340	10	20	CDCD	
C[C@@H]1SCC[C@@H]1NC(=O)C(=O)Nc1ccc(N)cc1	843053563	CHDNCHNOYPHYBZ-KWQFWETISA-N	279.365	1.218	10	20	CDCD	
C[C@]1(CN)CCN(Cc2ccc(N3CCOCC3)cc2)C1	843115107	GURSAZSUOSNQBI-QGZVFWFLSA-N	289.423	1.694	10	20	CDCD	
COC(=O)[C@@H](CC1CC1)NC(=O)c1ccc(C)c(O)c1O	840498894	AMEMFMVFNVUNDZ-LLVKDONJSA-N	293.319	1.478	10	20	CDCD	
CC(C)(CN)Cn1cc(COc2ccc(N)cc2)nn1	864631802	YTDZEIITIKFKEK-UHFFFAOYSA-N	275.356	1.424	10	20	CDCD	
CC[C@@H]1CCC[C@@H]1NC(=O)C(=O)Nc1ccc(N)cc1	841067021	IMDRGZPTKFGJCD-MFKMUULPSA-N	275.352	1.902	10	20	CDCD	
CCOCCNC(=O)CN1CCCc2cc(OC)ccc21	753389635	YMNGTJSTNNDYBR-UHFFFAOYSA-N	292.379	1.601	10	20	CDCD	
CC[C@H](NC)C(=O)NCCCSc1nccs1	852805882	OHNFLKOHPWBXKZ-VIFPVBQESA-N	273.427	1.740	10	20	CDCD	
Nc1ccc(CC(=O)N[C@@H]2CCCN3CCCC[C@H]23)cc1	852898919	AWLPFNXZTUXHJJ-HZPDHXFCSA-N	287.407	1.944	10	20	CDCD	
COc1cccc(CNC(=O)[C@H]2CCCN2C(C)C)c1O	934940142	IZVCCYZUQJLTIK-CYBMUJFWSA-N	292.379	1.890	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)N[C@H]2CCOC2)c1	756769272	PIRZZFGTSMTXDM-KOLCDFICSA-N	265.309	1.618	10	20	CDCD	
O=C(N[C@@H]1CCN(c2ccccn2)C1)c1cc(O)cs1	753842647	PIZPWHSCBFHFBT-SNVBAGLBSA-N	289.360	1.857	10	20	CDCD	
C[C@@H](NCC1(CO)CC1)c1cc([N+](=O)[O-])ccc1O	756638532	SKOKBKGENYOLNC-SECBINFHSA-N	266.297	1.724	10	20	CDCD	
CCOCCN(CC)Cc1cc2c(cc1O)OC[C@H]2O	768450115	IDIXZHZGUNUVQA-CQSZACIVSA-N	281.352	1.676	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)CCOCC(F)F)c1	862757424	TWNDYHLATLAIGX-UHFFFAOYSA-N	273.279	1.989	10	20	CDCD	
COC[C@H]1CCCN1NC(=O)/C=C/c1ccc(O)c(O)c1	862594680	JYKQLWCPBAXBMM-HOSRBBHYSA-N	292.335	1.253	10	20	CDCD	
Cc1nocc1S(=O)(=O)N[C@H](C)c1ccccc1O	867834756	MGSFPSYBVDZWRO-MRVPVSSYSA-N	282.321	1.728	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)c1csc(O)n1	769710297	KKUGUGRWRLXOQD-UHFFFAOYSA-N	264.306	1.827	10	20	CDCD	
OC[C@@H]1CN(Cc2c(O)cccc2Cl)C[C@@H]1CO	877764835	QBYYJYLSNRECHO-AOOOYVTPSA-N	271.744	1.078	10	20	CDCD	
COCC(C)(C)C(=O)NCc1ccc(O)c(O)c1	778917073	VGKQQNOFWKBIEX-UHFFFAOYSA-N	253.298	1.387	10	20	CDCD	
COc1cc(Cl)cc(CN2CCn3ncnc3C2)c1O	770664501	RSUVLXHGKHCAQC-UHFFFAOYSA-N	294.742	1.662	10	20	CDCD	
CC(=O)NC[C@@H]1CCCCN1Cc1ccccc1O	877674637	NXOVPUJXXIHMPL-AWEZNQCLSA-N	262.353	1.883	10	20	CDCD	
C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1nc[nH]n1	779526188	QCPDXLIYUTUMHJ-WGAJWPLOSA-N	274.280	1.107	10	20	CDCD	
CONC(=O)C1CCN(Cc2ccccc2O)CC1	877786795	ZATSRKZZCIUJRF-UHFFFAOYSA-N	264.325	1.282	10	20	CDCD	
CCOC(=O)c1cn(Cc2ccc(N(C)C)c(C)c2)nn1	881378384	OFIIIPPFFOEPBZ-UHFFFAOYSA-N	288.351	1.878	10	20	CDCD	
CC(=O)c1cc(F)cc(CN[C@H]2C[C@H](N)C2(C)C)c1O	883442788	SPOYFGLADNCGIF-STQMWFEESA-N	280.343	1.949	10	20	CDCD	
CCOc1ccc(CN2C[C@@H](O)C[C@]2(C)CO)c(O)c1	895329873	KGJHJXTUHJSXBG-SWLSCSKDSA-N	281.352	1.109	10	20	CDCD	
O=C(OCc1nnc2n1CCCC2)c1cccc(O)c1O	784785648	AVTRCGLIJISJAP-UHFFFAOYSA-N	289.291	1.383	10	20	CDCD	
O=CN1CCC(NCc2cc(Cl)ccc2O)CC1	895155534	KRRLZMSRSZWUCG-UHFFFAOYSA-N	268.744	1.756	10	20	CDCD	
C[C@H]1CN(C(=O)c2cc(O)cs2)C[C@H](C)S1=O	792515021	MCEFTYXTXISWDP-YUMQZZPRSA-N	273.379	1.435	10	20	CDCD	
C[C@H]1C(=O)CC[C@@H]1CC(=O)NCCc1ccc(O)c(O)c1	793679075	BXYPYHUMISYAMN-ZYHUDNBSSA-N	291.347	1.762	10	20	CDCD	
COc1ccc(CNC(=O)c2ccc3nncn3c2)c(O)c1	794390230	IMXZKLUYZWDZMZ-UHFFFAOYSA-N	298.302	1.374	10	20	CDCD	
CC(=O)c1cc(Cl)cc(CN2CCN(C)CC2)c1O	37322582	FBLAXXLYQLDNHH-UHFFFAOYSA-N	282.771	1.996	10	20	CDCD	
COC(=O)c1ncnc(NCc2ccc(N)cc2)c1OC	1162790009	PPFSJAROZAXFKV-UHFFFAOYSA-N	288.307	1.466	10	20	CDCD	
COC(=O)N(C)CCNCc1c(O)cccc1Cl	689551949	GVYYXGHGQWJJHH-UHFFFAOYSA-N	272.732	1.833	10	20	CDCD	
C[C@@H](NCc1nc[nH]n1)c1ccc(N2CCOCC2)cc1	1333586398	JDEWBGKTQBVLFW-GFCCVEGCSA-N	287.367	1.492	10	20	CDCD	
CCOCCn1nnnc1N(C)Cc1ccccc1O	1332978400	PVWLNADFHYOGQA-UHFFFAOYSA-N	277.328	1.052	10	20	CDCD	
COc1ccc(N(C)Cc2cc(C(=O)O)n[nH]2)cc1OC	1331952546	RFSQTTBIZLGQSR-UHFFFAOYSA-N	291.307	1.762	10	20	CDCD	
Nc1ccc(CC(=O)N[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)cc1	1263245068	XMSKPOLXKRGQLA-JYKNGBAOSA-N	258.321	1.103	10	20	CDCD	
CC(=O)OC(C)(C)C(=O)NCc1ccc(N)cc1	1346222195	XDUXYZCLEQWDPS-UHFFFAOYSA-N	250.298	1.227	10	20	CDCD	
O=C(NCc1ccc(N2CCC(O)CC2)cc1)[C@H]1C[C@H]1F	1347334638	OOGHFBATPKDGAQ-LSDHHAIUSA-N	292.354	1.622	10	20	CDCD	
COC[C@@](C)(CC(=O)O)NCc1cc(OC)ccc1O	1606785822	ZRHMICQAUIMILG-CQSZACIVSA-N	283.324	1.370	10	20	CDCD	
CN(C)c1cc(F)c(CN[C@H](CF)C(=O)O)cc1F	1606049997	HXJUZXIUGAVYSH-SNVBAGLBSA-N	276.258	1.543	10	20	CDCD	
O=C(O)c1cncc(NCc2cc(O)ccc2O)n1	1608981760	APWRBOQYIQALJX-UHFFFAOYSA-N	261.237	1.198	10	20	CDCD	
N[C@@H]1[C@@H](C(=O)NCc2c(O)cccc2F)[C@H]2C=C[C@H]1C2	1574284705	VPVIWEDTYPCAMS-WBRVRECLSA-N	276.311	1.297	10	20	CDCD	
C[C@@H](NCC1CCNCC1)c1cc(C(=O)O)ccc1O	1593257568	QCQCPYXGAYKMRA-SNVBAGLBSA-N	278.352	1.741	10	20	CDCD	
CN[C@H](C)CCN[C@H](C)c1cc(C(=O)O)ccc1O	1598663240	CNVREPLMSIMESN-NXEZZACHSA-N	266.341	1.739	10	20	CDCD	
C[C@@H](NC[C@]1(C)CCC(=O)N1)c1cc(C(=O)O)ccc1O	1593246817	CRXAFZKHPHUGRL-PSLIRLAXSA-N	292.335	1.410	10	20	CDCD	
COc1ccc(O)c(CN[C@H](CC2CC2)C(=O)O)c1	1599598418	LYUJLTGDDOITRM-GFCCVEGCSA-N	265.309	1.744	10	20	CDCD	
C[C@H]1CN(CCSc2ncc(C(=O)O)s2)CCO1	1594531815	POIGZWKXUKGPGR-QMMMGPOBSA-N	288.394	1.654	10	20	CDCD	
COc1cccc(CNCc2cnn(C)c2C)c1O	20352699	BVUQANTVYALZDM-UHFFFAOYSA-N	261.325	1.733	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2c[nH]cn2)c1	161194280	IJGJXDFWVLAYQO-MRVPVSSYSA-N	297.336	1.163	10	20	CDCD	
CN(C)c1ccc(CN2CCC(CC(N)=O)CC2)cc1F	159760073	JKZCSGBXMOLORB-UHFFFAOYSA-N	293.386	1.979	10	20	CDCD	
COc1ccc(N(C)CCN2CCOCC2)cc1	844353540	RCGGAGUAFBKXGK-UHFFFAOYSA-N	250.342	1.464	10	20	CDCD	
COc1ccc(O)c(CNC2(CO)CCOCC2)c1	224813389	XAXPVUAOTXXJLS-UHFFFAOYSA-N	267.325	1.032	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1N	112809849	CISCSHGPIAVCRW-AZHAFVHUSA-N	274.364	1.724	10	20	CDCD	
CO[C@H](CNC(=O)Cc1ccc(N)cc1)C(C)C	262464131	WXWZWHSKEFKMKE-CYBMUJFWSA-N	250.342	1.599	10	20	CDCD	
Cc1n[nH]c(C)c1CC(=O)N(C)Cc1ccccc1O	274865586	CBGCXDYCLFCQAK-UHFFFAOYSA-N	273.336	1.933	10	20	CDCD	
C[C@@H]1CCC[C@]1(O)CNCc1cc2c(cc1O)OCO2	292969175	KCIOQQXZFUUKGF-BMIGLBTASA-N	279.336	1.762	10	20	CDCD	
Nc1ccc(CCNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)cc1	884029050	ZJLJLLXEXLTEFW-AEGPPILISA-N	274.364	1.743	10	20	CDCD	
O=C(NCc1cccc(O)c1O)[C@H]1CCc2nc[nH]c2C1	1350300453	RGKUKMFUMZIIIS-VIFPVBQESA-N	287.319	1.242	10	20	CDCD	
CCOc1cccc(CN2CC[C@@H](NC)C2)c1O	128846998	CAXAILLSSZIGHV-GFCCVEGCSA-N	250.342	1.585	10	20	CDCD	
N#Cc1ccc(C(=O)NCc2ccc(O)c(O)c2)cc1O	188801353	LZYNBGULVCRVNU-UHFFFAOYSA-N	284.271	1.605	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NCC1(O)CCCCC1	180800278	YIOLRLJICIWJAO-FNORWQNLSA-N	291.347	1.922	10	20	CDCD	
COC(=O)C1(CNCc2cc(OC)ccc2O)CC1	188683121	WKSPHPXOCGZYBU-UHFFFAOYSA-N	265.309	1.444	10	20	CDCD	
COc1cccc(CNC[C@]2(O)CCSC2)c1O	176752881	WYRJIFAWKQBXGU-CYBMUJFWSA-N	269.366	1.358	10	20	CDCD	
Cc1nnc2ccc(N(C)Cc3ccccc3O)nn12	92689345	XAKMJVXGMLSNKH-UHFFFAOYSA-N	269.308	1.775	10	20	CDCD	
COc1cccc(CNC(=O)C2(OC)CCC2)c1O	272901138	XYDKQINNVXEMBF-UHFFFAOYSA-N	265.309	1.586	10	20	CDCD	
O=C(N[C@H]1CC[C@H](O)CC1)c1c(F)ccc(O)c1O	278893996	XORFKEJZPMHNFN-ZKCHVHJHSA-N	269.272	1.270	10	20	CDCD	
Cc1ccc(O)c(CN2CCN([C@H]3CCC[C@@H]3O)CC2)c1	371326972	LABQXJVSKQDJTL-RDJZCZTQSA-N	290.407	1.732	10	20	CDCD	
C[C@@H]1COCCN1CC(=O)NCc1ccc(N(C)C)cc1	297979861	WAWHIDGHAPAPGN-CYBMUJFWSA-N	291.395	1.090	10	20	CDCD	
CC[C@H](NCCN1CCNCC1)c1cc(Cl)ccc1O	817944761	LKCNLIINWYQWPD-AWEZNQCLSA-N	297.830	1.992	10	20	CDCD	
COCCOC[C@@H](O)CN[C@H](C)c1ccc(N(C)C)cc1	828960313	TXIVPMHYDGSNAJ-CJNGLKHVSA-N	296.411	1.427	10	20	CDCD	
CCN1CCN([C@@H](C)CNC(=O)c2cc(O)cs2)CC1	827500439	AOOLSTXBORETAZ-NSHDSACASA-N	297.424	1.210	10	20	CDCD	
CCc1cccc(CN2CC[C@@H](N3CCOC3=O)C2)c1O	827001392	VMYAYNFUYZPDDN-CQSZACIVSA-N	290.363	1.981	10	20	CDCD	
C[C@@H]1[C@H](O)CCN1Cc1ccc(N2CCOCC2)c(F)c1	825104353	UXZGDVMDMDEQFE-MLGOLLRUSA-N	294.370	1.617	10	20	CDCD	
C[C@@]1(CNCc2cc(Cl)c(F)cc2O)CCC(=O)N1	835060064	IJUNMVZGVYGPJZ-ZDUSSCGKSA-N	286.734	1.943	10	20	CDCD	
CN(C)c1ccc([C@H](N)CNC(=O)C2[C@H]3CCC[C@H]23)cc1	832267351	QTOJSZJXISYNCB-SOUVJXGZSA-N	287.407	1.915	10	20	CDCD	
NC(=O)CCC(=O)NCc1cc(Cl)cc(Cl)c1O	908212520	QDCPVHIZCZCLDV-UHFFFAOYSA-N	291.134	1.581	10	20	CDCD	
CC(=O)N[C@](C)(C(=O)Nc1ccc(N)cc1)C(C)C	911661845	XXWXUPXYJYRROA-AWEZNQCLSA-N	263.341	1.758	10	20	CDCD	
Nc1ccc(CC(=O)N2CC[C@@]3(CCCN3)C2)cc1	842514266	VUDYCNBMNWPLKR-HNNXBMFYSA-N	259.353	1.166	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@H]2CCCNCC2)cc1F	846674295	WEYXNPYUZYLJKP-ZDUSSCGKSA-N	293.386	1.898	10	20	CDCD	
CCOC(=O)[C@@H](NC(=O)Cc1ccc(N)cc1)C(C)(C)C	843445528	JPGCFHVMLOHMGG-CQSZACIVSA-N	292.379	1.905	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)[C@H]1CC12CCOCC2	910951889	XPDHPKBEHUJXMD-GFCCVEGCSA-N	277.320	1.531	10	20	CDCD	
COCCOCCN[C@H](C)c1cccc(OC)c1O	846144672	MWYYKPYCORFZND-LLVKDONJSA-N	269.341	1.714	10	20	CDCD	
CCN(CC)CC(=O)N(C)Cc1ccccc1O	63767174	IMRQAQTZRKVAFR-UHFFFAOYSA-N	250.342	1.692	10	20	CDCD	
COc1cc(Cl)cc(CNC[C@@H](C)CN)c1O	841049197	NTRMIKMGYSYYMB-QMMMGPOBSA-N	258.749	1.739	10	20	CDCD	
CCCNCCNC(=O)NCc1ccc(N(C)C)cc1C	841826814	JJFACMGHQGODDI-UHFFFAOYSA-N	292.427	1.860	10	20	CDCD	
C[C@@H]1COC[C@@H]1NCc1ccc(N2CCC(O)CC2)cc1	922641231	YOYHXCXMGNPRJM-DYVFJYSZSA-N	290.407	1.772	10	20	CDCD	
C[C@H](NC[C@@H](O)c1cnn(C)c1)c1cc(F)cc(F)c1O	756616376	ZCINGTQLTZCXAO-ISVAXAHUSA-N	297.305	1.788	10	20	CDCD	
C[C@@H](NC[C@H]1C[C@@H](O)C1)c1cc([N+](=O)[O-])ccc1O	858544429	WMBCJXXXKRWJNC-KKZNHRDASA-N	266.297	1.722	10	20	CDCD	
CC(=O)c1cc(F)cc(CN(C)Cc2cn(C)nn2)c1O	852553544	UJBNCXXEYJXDBE-UHFFFAOYSA-N	292.314	1.494	10	20	CDCD	
CC(C)C1(O)CN(C(=O)/C=C\c2ccc(O)c(O)c2)C1	765597988	FUJWJLCBWJPLFF-XQRVVYSFSA-N	277.320	1.340	10	20	CDCD	
CC[C@H](CO)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	779846544	UZULUIAMSNFPIZ-NWDGAFQWSA-N	264.369	1.948	10	20	CDCD	
Cc1ccc(CN[C@@H]2CCCN(CCCO)C2)c(O)c1	877559135	RXCGJNCCRATYJF-OAHLLOKOSA-N	278.396	1.637	10	20	CDCD	
Cc1cccc(O)c1CN1CCN(c2nccn2C)CC1	877642132	PMIPRVCSQVNURF-UHFFFAOYSA-N	286.379	1.756	10	20	CDCD	
COc1cc(Cl)cc(CNC2(C)COC2)c1O	877691373	OGEAXBBHILLWPL-UHFFFAOYSA-N	257.717	1.933	10	20	CDCD	
CCO[C@H]1CCN(C(=O)NCc2ccc(N)cc2)C1	1120677883	ZKHTUFBSZAYFPX-ZDUSSCGKSA-N	263.341	1.589	10	20	CDCD	
C[C@@H](NC[C@@H](C)N1CCN(C)CC1)c1c(O)cccc1F	886524889	STLUZRJZKQLECJ-CHWSQXEVSA-N	295.402	1.818	10	20	CDCD	
CC(C)[C@H](N)CNC(=O)N[C@@H](C)c1ccccc1O	892019500	QIZHYHFZVUSPAT-CMPLNLGQSA-N	265.357	1.736	10	20	CDCD	
COC(=O)[C@H](C)CN(C)Cc1ccc(OC)c(OC)c1O	891716941	BJDQTUXFNMETOQ-SNVBAGLBSA-N	297.351	1.650	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CC(Oc2ccncc2)C1	790634508	LPQCSARGCDUCLZ-UHFFFAOYSA-N	286.287	1.396	10	20	CDCD	
COc1ccc(CNC(=O)CCCn2ccnc2)c(O)c1	794370568	PRPAHMMPXZBGSI-UHFFFAOYSA-N	289.335	1.694	10	20	CDCD	
O=C(O)[C@H]1CCCCCN1Cc1cc2c(cc1O)OCO2	1601815912	ILWVAYHGSVASDA-LLVKDONJSA-N	293.319	1.950	10	20	CDCD	
CCc1cccc(CNC[C@H]2CCO[C@H]2C(=O)O)c1O	1605828994	VUMSCRVWJVGMRV-TZMCWYRMSA-N	279.336	1.534	10	20	CDCD	
COC[C@@]1(C(=O)O)CCCN1C(=O)c1cc(O)cs1	1606833137	JJLMOPIIWNHVCH-GFCCVEGCSA-N	285.321	1.160	10	20	CDCD	
O=C(CC1C[C@@H]2CC[C@H](C1)N2)NCc1c(O)cccc1O	1580508608	NHIZVTUKTFSHFP-YOGCLGLASA-N	290.363	1.635	10	20	CDCD	
COc1ccc(O)c(CNCCCN2CCCC2)c1	20129221	XOAYYMYWLUJCFX-UHFFFAOYSA-N	264.369	1.976	10	20	CDCD	
O=C(C[C@H]1CCCN1)NCCCSc1nccs1	158526728	UQWZMGHIRDLKNG-SNVBAGLBSA-N	285.438	1.884	10	20	CDCD	
CN1CC[C@H](NCc2cc(Br)ccc2O)C1	163887674	VNCUTGCAGHONEO-NSHDSACASA-N	285.185	1.948	10	20	CDCD	
COc1cc(Cl)cc(CN2CC[C@@H](NC(C)=O)C2)c1O	229121243	BVPYWCOMENHHSO-GFCCVEGCSA-N	298.770	1.765	10	20	CDCD	
COc1ccc(O)c(CNCC2([S@@](C)=O)CC2)c1	281820626	RBXGRTJSJGWINI-GOSISDBHSA-N	269.366	1.402	10	20	CDCD	
Cc1ccc([C@H](C)N[C@H]2CCN(S(C)(=O)=O)C2)c(O)c1	400150633	BJAPDAABRWUPOD-RYUDHWBXSA-N	298.408	1.385	10	20	CDCD	
NC[C@@H]1CN(Cc2c(O)cccc2Cl)CCCO1	313356420	QMDAMWWOULFWPQ-SNVBAGLBSA-N	270.760	1.595	10	20	CDCD	
C[C@H](NCc1ccc(N2CCOCC2)cc1)C(C)(C)O	393962033	VGTCFTUUCRGQEN-ZDUSSCGKSA-N	278.396	1.772	10	20	CDCD	
CCOc1cccc(CN(C)C2CC(N)C2)c1O	395014312	KWDIZASMKNAJOJ-UHFFFAOYSA-N	250.342	1.712	10	20	CDCD	
O=C1C[C@@H](CNCc2ccc(N3CCCC3)cc2)CN1	398434942	FWRZFYYEBLHTOJ-AWEZNQCLSA-N	273.380	1.513	10	20	CDCD	
O=C(O)c1cc(C(=O)NCc2ccccc2O)on1	1602247647	TUYLOJIHVUTJMJ-UHFFFAOYSA-N	262.221	1.008	10	20	CDCD	
Cc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(C)o1	10041390	YKDGEOXHXXPXPF-UHFFFAOYSA-N	262.265	1.330	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@@H](NC(C)=O)C(C)C)c1	114543264	DRNRVRWNBJQCKG-AWEZNQCLSA-N	294.351	1.178	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)[C@@H]2COCCN2)cc1	178711324	BMTGIMYDDAKLPE-HNNXBMFYSA-N	291.395	1.137	10	20	CDCD	
COc1ccc(O)c(CNC(=O)Cc2c(C)noc2C)c1	114541214	VYMUQZBLNPYBHE-UHFFFAOYSA-N	290.319	1.865	10	20	CDCD	
CCN(C)C[C@H]1CCN(C(=O)c2ccc(C)c(O)c2O)C1	179526213	FJIJGIQNQDZEAB-GFCCVEGCSA-N	292.379	1.820	10	20	CDCD	
OCC(F)(F)CNCc1ccc2c(c1)CCCO2	922004474	ROANRKFTWBXYJW-UHFFFAOYSA-N	257.280	1.729	10	20	CDCD	
Cc1nccc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)n1	186414736	QFTFJOJRTYWXEY-VIFPVBQESA-N	287.319	1.557	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)CN1CCCC1=O	170732215	ICEVPFUYAQMGQO-UHFFFAOYSA-N	290.363	1.753	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)CCc1nnc[nH]1	176860331	WXHAMXDSUASDST-UHFFFAOYSA-N	288.351	1.882	10	20	CDCD	
CCOCCN1CCOc2cc(N(C)C)ccc21	119952285	GXNSWEMPSQWGCC-UHFFFAOYSA-N	250.342	1.988	10	20	CDCD	
C[C@@H]1[C@@H](C(=O)NCCc2ccc(O)c(O)c2)C1(F)F	1123770548	SYHNZQITKOTSEA-HQJQHLMTSA-N	271.263	1.658	10	20	CDCD	
CC[C@H](NC(=O)c1cccc(O)c1O)[C@H]1CCCO1	187206151	LTKSMXWFCDMRMU-CMPLNLGQSA-N	265.309	1.785	10	20	CDCD	
CCCOc1ccc(CNCC(F)(F)CO)c(O)c1	183869368	MWJAQCAMKOUILG-UHFFFAOYSA-N	275.295	1.898	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CC[C@@H](O)C2)c1O	61711089	SANIVBQHUCDKFF-LLVKDONJSA-N	253.273	1.301	10	20	CDCD	
COC(CN1CCOc2cc(N(C)C)ccc21)OC	162137569	DKLZTWVXMDSVSD-UHFFFAOYSA-N	266.341	1.570	10	20	CDCD	
CCOCCC(=O)NCc1ccc(N(C)C)c(F)c1	263984121	KKXCOKALHOVYRR-UHFFFAOYSA-N	268.332	1.935	10	20	CDCD	
COC[C@@H](C)CNCc1ccc([N+](=O)[O-])c(OC)c1O	278932800	WOTYIGNDNPOJBT-VIFPVBQESA-N	284.312	1.681	10	20	CDCD	
Cc1ccc(C(=O)N2CCN(C3CCC3)CC2)c(O)c1O	272763916	QUXHTRIHVCTTTL-UHFFFAOYSA-N	290.363	1.717	10	20	CDCD	
C[C@H](NCCCCO)c1cc([N+](=O)[O-])ccc1O	279634660	ZNWLYWQLCICALP-VIFPVBQESA-N	254.286	1.724	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)OC(C)(C)C	275844146	QMVCIZFFTMOYBA-SECBINFHSA-N	295.335	1.487	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1cncn1C	277621853	IOGSTPUXKZUQPG-UHFFFAOYSA-N	286.335	1.525	10	20	CDCD	
COC[C@H](NCc1cc([N+](=O)[O-])ccc1O)[C@H]1CCCO1	278591109	GYEMRFQJSCGUCX-GXTWGEPZSA-N	296.323	1.584	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1cncnc1	273986468	RBGJWVUAEHCSHP-UHFFFAOYSA-N	270.336	1.815	10	20	CDCD	
C[C@H](N[C@@H]1CC(=O)N(C)C1)c1cc([N+](=O)[O-])ccc1O	273596439	QUWWAZKRBJKKTG-DTWKUNHWSA-N	279.296	1.182	10	20	CDCD	
CN1CC=C(CNCc2cc([N+](=O)[O-])ccc2O)CC1	271776839	COYCZKWGAOWTNO-UHFFFAOYSA-N	277.324	1.652	10	20	CDCD	
Cc1cc(O)c([C@H]2NC(=O)[C@H]3CSCCN32)cc1C	270818375	RFGXKJSLJSLOJI-YPMHNXCESA-N	278.377	1.555	10	20	CDCD	
C[C@H](CO)N(C)Cc1cc(Br)ccc1O	289444474	MGXJSFJVRWIVFS-MRVPVSSYSA-N	274.158	1.967	10	20	CDCD	
Nc1ccc(CC(=O)N2CCC([C@H]3CCCN3)CC2)cc1	371241875	DQOWVZCEWGPSHD-MRXNPFEDSA-N	287.407	1.802	10	20	CDCD	
C[C@H](NCc1c(O)cccc1Cl)C(=O)NCCF	282734154	RDIZHVAIYZETTK-QMMMGPOBSA-N	274.723	1.609	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN(C)CC(C)(C)CO)c1O	294839144	QWXJPQQQQKLKQA-UHFFFAOYSA-N	298.339	1.759	10	20	CDCD	
COc1ccc(O)c(CN2CC(OC(=O)NC(C)C)C2)c1	297520795	YDSHZUXHBPHGNZ-UHFFFAOYSA-N	294.351	1.720	10	20	CDCD	
C[C@@H](NC[C@@H](N)c1ccc(N(C)C)cc1)c1c[nH]ccc1=N	817942578	PPPZVOBRVVSPPG-SJKOYZFVSA-N	299.422	1.911	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)N[C@H](CN)C2CC2)c1	817959276	FADFYZMGXJDHNC-NOZJJQNGSA-N	278.352	1.567	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2CC[C@@H](O)[C@H]2C)c1O	825103839	JEAHEBUVDNHFEU-LDYMZIIASA-N	282.296	1.264	10	20	CDCD	
Cn1cncc1CNCc1cc([N+](=O)[O-])ccc1O	727470809	NQKRLICTIOBNJP-UHFFFAOYSA-N	262.269	1.324	10	20	CDCD	
COC(=O)C[C@H](C)C(=O)N[C@H](C)c1ccccc1O	827937312	RLDAZOWIPZDKQQ-VHSXEESVSA-N	265.309	1.769	10	20	CDCD	
O=C(O)CCCCCNC(=O)c1cc(O)cs1	739668218	HXAOKBYRAYZPTB-UHFFFAOYSA-N	257.311	1.829	10	20	CDCD	
CC[C@@H](C)C(=O)NC[C@H](N)c1ccc(N(C)C)cc1	832293635	ZKHFWJKIDFPFBB-RISCZKNCSA-N	263.385	1.915	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)c1snnc1C1CC1	910945402	VBOAAGJFMFUTGO-UHFFFAOYSA-N	291.332	1.757	10	20	CDCD	
C[C@H](C(=O)NC[C@H](N)c1ccc(N(C)C)cc1)C1CC1	832267451	SDMAHWIOOBWACZ-NHYWBVRUSA-N	275.396	1.915	10	20	CDCD	
Cc1nn(C)c(C)c1CNCCc1ccc(N)cc1	841035116	FPTKSDXNHAJHEH-UHFFFAOYSA-N	258.369	1.951	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)O[C@H]1CCOC1	916424982	NMDJHKJLAXNOCA-JTQLQIEISA-N	253.254	1.113	10	20	CDCD	
O=[N+]([O-])c1cc(Cl)cc(CN2CC[C@@H]3CNC[C@@H]32)c1O	841027143	XLLQKPGGYOOBQK-PELKAZGASA-N	297.742	1.748	10	20	CDCD	
COc1ccc(CNC(=O)[C@H]2CCCCN2)c(O)c1	843499355	FPVJRHKBVKJAOG-GFCCVEGCSA-N	264.325	1.159	10	20	CDCD	
C[C@H](N)C1CCN(Cc2cc3c(cc2O)OCO3)CC1	843052993	SEHSXNLYONCLOI-JTQLQIEISA-N	278.352	1.680	10	20	CDCD	
CCC[C@H](C)N(C)C(=O)C(=O)Nc1ccc(N)cc1	841015160	FKEZIFUHJXINPO-JTQLQIEISA-N	263.341	1.854	10	20	CDCD	
CCN1C[C@H](CNCc2ccc(N(C)C)cc2)CC1=O	846092339	CPLXZTMZHFFQRH-AWEZNQCLSA-N	275.396	1.711	10	20	CDCD	
CCOc1ccc(O)c(CN(C)[C@@H]2CCNC2)c1	843049756	VQOKCJUESUCNHR-GFCCVEGCSA-N	250.342	1.585	10	20	CDCD	
COc1cccc([C@@H](C)NCC2(O)CCC2)c1O	846147797	WKNHUQJYIDECRA-SNVBAGLBSA-N	251.326	1.966	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC[C@@H](O)C1CCOCC1	840933984	LJPUEVZYVKJJGX-QGZVFWFLSA-N	292.423	1.938	10	20	CDCD	
CC(C)(C)C[C@H](O)CNC(=O)NCCc1ccc(N)cc1	841954875	QAFWWPGRTZLABD-AWEZNQCLSA-N	293.411	1.908	10	20	CDCD	
CN[C@@H]1CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)C1	841761666	RCGYBTRTDDLKOH-GFCCVEGCSA-N	294.374	1.395	10	20	CDCD	
CC[C@H](NCCN1CC[C@@H](O)C1)c1ccc(F)cc1O	858547005	CERSSNKNQHFJGE-OCCSQVGLSA-N	282.359	1.639	10	20	CDCD	
Cc1ccnc2nc(C(=O)N(C)Cc3ccccc3O)nn12	920454278	DYAKQCXWDLRWPW-UHFFFAOYSA-N	297.318	1.411	10	20	CDCD	
CNC[C@@H](C)N[C@@H](C)c1cc([N+](=O)[O-])ccc1O	854232291	OYHKPAQVGLTIAR-BDAKNGLRSA-N	253.302	1.559	10	20	CDCD	
CC[C@H](CO)C(=O)N[C@H](C)c1cc(OC)ccc1O	779812372	LBTCCLKLKCOYBV-NXEZZACHSA-N	267.325	1.597	10	20	CDCD	
C[C@H](C[C@H]1CCCC(=O)N1)NCc1ccccc1O	876996135	PSABIGXHDPULCW-DGCLKSJQSA-N	262.353	1.929	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)C1CC(F)(F)C1	778924251	XUQUKKPRRGUEDV-UHFFFAOYSA-N	257.236	1.759	10	20	CDCD	
C[C@@H](NCC(=O)NCC1CC1)c1c(O)cccc1F	886586789	XHFPELUFFFJNME-SECBINFHSA-N	266.316	1.708	10	20	CDCD	
C[C@H](NCCC(=O)N(C)C)c1c(O)cccc1F	886519595	YVABGNFUZGQRFV-VIFPVBQESA-N	254.305	1.660	10	20	CDCD	
Cc1ccn(C)c1C(=O)OCC(=O)c1ccc(O)c(O)c1	784876062	OSYQIBHWDRCNKS-UHFFFAOYSA-N	289.287	1.784	10	20	CDCD	
COCC[C@@H](CO)N[C@@H](C)c1c(O)cccc1F	886604991	HJSRVFWNDSIJIQ-UWVGGRQHSA-N	257.305	1.579	10	20	CDCD	
COc1cc(O)c(CN2C[C@@H](O)C[C@@H]2C)cc1OC	788268917	INYVAHPWGJCSNW-ONGXEEELSA-N	267.325	1.365	10	20	CDCD	
COc1ccc(CNC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3)c(O)c1	1120670124	BDQAAOHYUKTNMK-KGYLQXTDSA-N	291.351	1.093	10	20	CDCD	
COc1ccc(O)c(CN2CCC3(CC2)CNC(=O)O3)c1	783722201	ZDLCZIYDXNZHTC-UHFFFAOYSA-N	292.335	1.475	10	20	CDCD	
CCn1nccc1NC(=O)c1ccc(C)c(O)c1O	780919966	ZPOTVDSHQQTVHT-UHFFFAOYSA-N	261.281	1.875	10	20	CDCD	
CC[C@H](C(=O)N(C)Cc1ccccc1O)[C@H](C)O	789988099	ACJJRYNPWMJAHJ-JQWIXIFHSA-N	251.326	1.758	10	20	CDCD	
COc1cc(C)cc(CN2CCN(C)C(=O)[C@H]2C)c1O	894497711	PHZMGLWEKUDCOD-LLVKDONJSA-N	278.352	1.372	10	20	CDCD	
CCN1C(=O)/C(=C/c2cn(CC)nn2)SC1=S	899333294	OFOMFUIUNOSYIW-YVMONPNESA-N	268.367	1.519	10	20	CDCD	
COc1cc(C)cc(CNC2CCN(C)CC2)c1O	894152164	HLMHPZNMVSSXLG-UHFFFAOYSA-N	264.369	1.893	10	20	CDCD	
C[C@@H](NC(=O)[C@H]1CCCC(=O)N1)c1ccc(N(C)C)cc1	799722633	RGLSLPOZGDMASX-BXUZGUMPSA-N	289.379	1.599	10	20	CDCD	
O=C(NCc1ccccc1O)c1csc(O)n1	792239106	BLGFAKRKCWEMRH-UHFFFAOYSA-N	250.279	1.484	10	20	CDCD	
CC(=O)NCCC1=CCN(c2cccc(F)n2)CC1	1089801975	CGBZMEKUWRLZNS-UHFFFAOYSA-N	263.316	1.883	10	20	CDCD	
CCO[C@@H]1C[C@@H](NCc2cccc(C)c2O)[C@H]1OC	274847462	AIXZQKBFTZGVBO-UMVBOHGHSA-N	265.353	1.983	10	20	CDCD	
O=C(Nc1c(Cl)ccc2nonc12)[C@H]1CCCO1	1324858432	MJMQCFVIHIXBRC-MRVPVSSYSA-N	267.672	1.994	10	20	CDCD	
C[C@H](NC[C@@H]1CN(C)CCN1C)c1ccc(F)cc1O	68803329	DWKMDSKKRSJBCA-WCQYABFASA-N	281.375	1.428	10	20	CDCD	
Nc1ccc(CNC(=O)N2CCC[C@@H]2CCO)cc1	1335723919	DESQEOJWJDVVAR-CYBMUJFWSA-N	263.341	1.325	10	20	CDCD	
CC1(C)CC[C@@H](C(=O)NCc2cccc(O)c2O)O1	1348047556	OFGFWIXNPVYOJK-NSHDSACASA-N	265.309	1.672	10	20	CDCD	
NCC[C@@H]1CCCN(C(=O)NCc2ccc(N)cc2)C1	1353540884	YVWNJBSTJLQBLG-ZDUSSCGKSA-N	276.384	1.539	10	20	CDCD	
Oc1c(F)cc(F)cc1CN1CCn2cncc2C1	1350328187	QTLWYQSYOPWZPT-UHFFFAOYSA-N	265.263	1.883	10	20	CDCD	
O=C(O)c1cnc(Sc2ncc(F)cn2)s1	1608979259	RRPSFECEZZNGRY-UHFFFAOYSA-N	257.271	1.922	10	20	CDCD	
C[C@@H](NCc1ccnn1C)c1cc(C(=O)O)ccc1O	1604347416	DEBLAHWBHLSJLX-SECBINFHSA-N	275.308	1.675	10	20	CDCD	
CNC[C@@H]1CCN(Cc2c(O)cccc2OC)C1	843052987	RZWXIQHFXOCDDE-NSHDSACASA-N	250.342	1.442	10	20	CDCD	
C[C@H](NC[C@H]1CCCNC1=O)c1ccc(N(C)C)cc1	838935106	AMSNMPZFOZCWRK-GXTWGEPZSA-N	275.396	1.929	10	20	CDCD	
COc1ccc(N(C)CC[C@H]2CCS(=O)(=O)C2)cc1	844353579	ZHYMDMMKPQCLJT-LBPRGKRZSA-N	283.393	1.956	10	20	CDCD	
COC[C@@H](O)CNCc1cc(Cl)cc(OC)c1O	228674753	OZJGQYUMOKFTIP-JTQLQIEISA-N	275.732	1.151	10	20	CDCD	
Cc1cccc(CN[C@@H](C)CN2CCOCC2)c1O	124707654	WCOSEHAETWQQDE-ZDUSSCGKSA-N	264.369	1.511	10	20	CDCD	
NC(=O)C1(NC(=O)Cc2ccc(N)cc2)CCCCC1	262294382	IJLRWTNETFTHRW-UHFFFAOYSA-N	275.352	1.116	10	20	CDCD	
COc1ccc(O)c(CN2CC[C@@H](CN(C)C)C2)c1	180230457	SRFNLKMIYBKKCC-LBPRGKRZSA-N	264.369	1.784	10	20	CDCD	
COC[C@H]1CCCN(C(=O)c2cccc(O)c2O)C1	185648901	QGFOCCLLHYNFLB-JTQLQIEISA-N	265.309	1.596	10	20	CDCD	
Cn1cc(CNCc2c(O)cccc2Br)nn1	706842460	QOBGMXBIOGAEHM-UHFFFAOYSA-N	297.156	1.573	10	20	CDCD	
COc1ccc(N2CCCN(C(=O)[C@@H](C)OC)CC2)cc1	55878704	XHBUOVLJFIOZOZ-CYBMUJFWSA-N	292.379	1.769	10	20	CDCD	
COc1cccc(CNC(=O)C2CCOCC2)c1O	105652653	FYFYMHFPWIUEJU-UHFFFAOYSA-N	265.309	1.444	10	20	CDCD	
C[C@H](N[C@@H]1CC(=O)N(C2CC2)C1)c1ccc(F)cc1O	186088435	HBJGEBBCUWHCNW-GXSJLCMTSA-N	278.327	1.945	10	20	CDCD	
C[C@H](NCCCS(C)(=O)=O)c1ccc(F)cc1O	62747882	BCGDSAVYDHHYAL-VIFPVBQESA-N	275.345	1.617	10	20	CDCD	
COc1cccc(CN(C)Cc2cnn(C)c2)c1O	119710606	ZAAXNOKFKPHYTI-UHFFFAOYSA-N	261.325	1.766	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2ncccc2O)cc1F	171284088	KKFOPZFUSJRQFM-UHFFFAOYSA-N	289.310	1.922	10	20	CDCD	
COc1ccc(O)c(CNC(C)(C)CN2CCOCC2)c1	308640187	RNCSXNYQRCCSAY-UHFFFAOYSA-N	294.395	1.601	10	20	CDCD	
C[C@H]1CN(C(=O)c2cccc(O)c2O)C[C@@H](C)O1	126192222	RATKMQFSSPCLFE-DTORHVGOSA-N	251.282	1.347	10	20	CDCD	
Cc1ccnc(O)c1C(=O)NCCc1ccc(O)c(O)c1	183672893	OKDZFLFJEQFSRO-UHFFFAOYSA-N	288.303	1.479	10	20	CDCD	
CC1CCN([C@H](C)CNC(=O)c2cccc(O)c2O)CC1	187033442	RRMHZCRSNOEPGM-GFCCVEGCSA-N	292.379	1.948	10	20	CDCD	
CCCNC(=O)CN(C)c1ccc(OCC(=O)OC)cc1	183806558	NDTGTTNNEJJEJY-UHFFFAOYSA-N	294.351	1.201	10	20	CDCD	
COC[C@@H](NC(=O)Cc1ccc(N)cc1)C(C)C	86681974	JIHNKICDZDZVLP-CYBMUJFWSA-N	250.342	1.599	10	20	CDCD	
C[C@@H](CN(C)Cc1ccc(N(C)C)cc1)C(=O)O	86806981	DTNNICVRVQMCDM-NSHDSACASA-N	250.342	1.905	10	20	CDCD	
COC[C@H](CNCc1c(O)cccc1Cl)OC	227706747	FPRDJWDRBLWEFT-VIFPVBQESA-N	259.733	1.797	10	20	CDCD	
C[C@H](CNC(=O)c1cccc(O)c1O)CN(C)C	293735601	KZEMALQMYHHNPJ-SECBINFHSA-N	252.314	1.025	10	20	CDCD	
Oc1cc2c(cc1CN[C@H]1CCCC[C@@H]1O)OCO2	52002600	ZKMZHYBDWOUEGQ-QWRGUYRKSA-N	265.309	1.514	10	20	CDCD	
COc1cccc(CN[C@@H]2C[C@H]3CC[C@H]2NC3)c1O	530247004	VGMWPUFBVUHUOQ-RAIGVLPGSA-N	262.353	1.631	10	20	CDCD	
C[C@H](N[C@H](CO)c1cnn(C)c1)c1ccc(F)cc1O	273521558	UMVCCAOIWDRUNS-TVQRCGJNSA-N	279.315	1.649	10	20	CDCD	
Cc1c(CCC(=O)NCc2ccc(O)c(O)c2)cnn1C	272294843	HOVGIXUMVHSTFC-UHFFFAOYSA-N	289.335	1.389	10	20	CDCD	
COc1cccc(CNC(=O)NCCC[C@@H](C)CO)c1O	270516087	MEBBLOKRHQAUQD-LLVKDONJSA-N	296.367	1.609	10	20	CDCD	
OC[C@H](CNCc1ccc2c(c1)CCO2)[C@H]1CCOC1	280216196	GAWWQDKCPOSIQQ-GJZGRUSLSA-N	277.364	1.356	10	20	CDCD	
C[C@@H](CN)C(=O)NCc1ccc(N2CCCC2)cc1	285841941	WMJMLWTVTYDHAO-LBPRGKRZSA-N	261.369	1.498	10	20	CDCD	
COC(=O)c1cnc(SCc2nnc(C)n2C)s1	295304627	MOQTVYARHIMGNL-UHFFFAOYSA-N	284.366	1.659	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H]1CCCO1	808095672	NTJFHEQNXSFHDR-LLVKDONJSA-N	270.325	1.673	10	20	CDCD	
CN(C(=O)/C=C/c1ccc(O)c(O)c1)[C@@H]1CCCOC1	804286501	JZPGWNWXJYUUCE-HOSRBBHYSA-N	277.320	1.748	10	20	CDCD	
C[C@H]1COCC[C@@H]1CNC(=O)c1cc(O)cs1	807704171	UHPRSBOYEUJITK-DTWKUNHWSA-N	255.339	1.856	10	20	CDCD	
CC[C@H](COC)N1C(=O)CN(Cc2ccccc2O)C1=O	819166175	OGNYQQJVKOLBAR-GFCCVEGCSA-N	292.335	1.581	10	20	CDCD	
COc1cc(O)c(CN[C@H]2C[C@H](O)C2)cc1OC	827827668	WXAJLPVYICFFQA-MGCOHNPYSA-N	253.298	1.022	10	20	CDCD	
COC1CC(NCc2ccc(N3CCC(O)CC3)cc2)C1	827661792	GNPPEBYBEWDNEP-UHFFFAOYSA-N	290.407	1.915	10	20	CDCD	
C[C@H](CNC(=O)c1cc(O)cs1)Cn1ccnc1	828404218	PUKDWMZYOCLAOR-SECBINFHSA-N	265.338	1.716	10	20	CDCD	
O=C(c1c(F)ccc(O)c1O)N1CC[C@@H](C2OCCO2)C1	900458361	UIENCEDBYJIDFW-MRVPVSSYSA-N	297.282	1.072	10	20	CDCD	
NC(=O)c1cccc(CNC(=O)c2cc(O)cs2)c1	731868752	SUBHUGUXYHBZMN-UHFFFAOYSA-N	276.317	1.483	10	20	CDCD	
COc1ccc(CNC(=O)CSC(F)F)c(O)c1	831033169	QHPNLDNDOCYWRH-UHFFFAOYSA-N	277.292	1.973	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNC[C@@H]2CCCNC2)c1O	841032737	JOJSPRJGQUSHFA-SNVBAGLBSA-N	295.339	1.398	10	20	CDCD	
COC/C(C)=C\C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	845929352	BDCJQIISIDMRTA-SDKXAQGSSA-N	279.336	1.738	10	20	CDCD	
C[C@H](N)[C@@H]1CCN(Cc2cc3c(cc2O)OCO3)C1	843057012	FERAKTLXGSZXRH-VHSXEESVSA-N	264.325	1.290	10	20	CDCD	
COCCNCCNCc1c(O)ccc(Cl)c1F	841047687	GQRLNRQOBYSBGV-UHFFFAOYSA-N	276.739	1.510	10	20	CDCD	
COc1ccc(O)c(CN[C@@H]2CCc3c(nnn3C)C2)c1	848926283	NZWZOKYJGOBGSX-LLVKDONJSA-N	288.351	1.176	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H](C)c2csnn2)c(O)c1O	840535321	MGHQCIIFEFOWPG-ZETCQYMHSA-N	279.321	1.749	10	20	CDCD	
C[C@@](O)(CC(=O)NCc1ccc(O)cc1O)C1CC1	910949172	GQPGQKWILZKGPX-CQSZACIVSA-N	265.309	1.265	10	20	CDCD	
COCCN(Cc1ccccc1O)C[C@H](O)C(F)(F)F	848921843	HZSBYXFWVIGPTD-LBPRGKRZSA-N	293.285	1.764	10	20	CDCD	
Cc1cccc(CN[C@@H](Cc2ccncc2)C(=O)O)c1O	848639358	IQGCAKCFHAFJKH-AWEZNQCLSA-N	286.331	1.881	10	20	CDCD	
CN1C(=O)C2(CCCC2)N[C@H]1c1cccc(O)c1O	742439188	JTXLHUFQYUCJSQ-GFCCVEGCSA-N	262.309	1.471	10	20	CDCD	
CCOC(=O)N1CC[C@H](NC(=O)Nc2ccc(N)cc2)C1	841296257	SCNRAFWVPVVLDR-LBPRGKRZSA-N	292.339	1.621	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNCC(=O)NC(C)C	840928122	KZTKXPHPNVWVOC-UHFFFAOYSA-N	263.385	1.675	10	20	CDCD	
C[C@H](NC(=O)N1CCN[C@H](C)C1)c1ccc(N(C)C)cc1	841880713	GRNUHUKBJJRGBT-OLZOCXBDSA-N	290.411	1.817	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@H](C(=O)O)C(C)C)c1	843329096	WPBLIEYXLVPCIC-NOZJJQNGSA-N	295.335	1.935	10	20	CDCD	
CN1CCN(Cc2cc(Cl)cc(F)c2O)[C@@H](CN)C1	843122930	XEIMJZRHAYIFQT-NSHDSACASA-N	287.766	1.259	10	20	CDCD	
CCCN1CC(=O)N[C@H]1c1cc([N+](=O)[O-])ccc1O	840822012	JLOFAUQEMJBEJC-GFCCVEGCSA-N	265.269	1.141	10	20	CDCD	
Cn1[nH]cnc1=NCc1ccc(N2CCSCC2)cc1	846748690	WWIBOLUCLKBYLR-UHFFFAOYSA-N	289.408	1.402	10	20	CDCD	
CCn1ccc(CC(=O)NCc2ccc(OC)cc2O)n1	846060408	BOLAAVUCXIMRHM-UHFFFAOYSA-N	289.335	1.476	10	20	CDCD	
CCOc1ccc(CNCC[C@@]2(O)CCCOC2)c(O)c1	846111819	VZMFNPIEYYSUFZ-INIZCTEOSA-N	295.379	1.812	10	20	CDCD	
CCc1cccc(CN2CCO[C@H](CNC(C)=O)C2)c1O	848887193	QABBEHXLZARECV-OAHLLOKOSA-N	292.379	1.292	10	20	CDCD	
CCOc1ccc(CNCC2(N)CCC2)c(O)c1	841050881	JQYCAMQHMFCZHI-UHFFFAOYSA-N	250.342	1.762	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)OCCn1ccnc1	759597309	QMQPAQCXEOXRTM-DUXPYHPUSA-N	274.276	1.551	10	20	CDCD	
c1cc(N2CCCC2)ccc1CN[C@@H]1CNCCOC1	925545095	XCLMXCRZWWRLIL-OAHLLOKOSA-N	275.396	1.365	10	20	CDCD	
C[C@H](NCCN1CC[C@H](O)C1)c1cc(F)ccc1O	858602098	QAMYAYAMWRSXNG-JQWIXIFHSA-N	268.332	1.249	10	20	CDCD	
C[C@@H]1CN(C(=O)c2cc(O)cs2)C[C@@]1(C)CO	856248662	OWLJGSYPXMNPKK-PELKAZGASA-N	255.339	1.544	10	20	CDCD	
C[C@@H](NC(=O)[C@H]1CCCNC1=O)c1ccc(N(C)C)cc1	867502949	FZADQOSBXNODRK-RISCZKNCSA-N	289.379	1.456	10	20	CDCD	
CCOC[C@@H]1CCN(Cc2cc3c(cc2O)OC[C@@H]3O)C1	768464190	ODDPJQABKXWDNA-ABAIWWIYSA-N	293.363	1.676	10	20	CDCD	
COc1ccc(O)c(CNC(=O)C(=O)C(C)(C)C)c1	769543181	UFZMDBZAMXTRTN-UHFFFAOYSA-N	265.309	1.632	10	20	CDCD	
COCCN(C)Cc1ccc(N2CCOCC2)c(F)c1	768241188	MDSTZPRNVWYDCJ-UHFFFAOYSA-N	282.359	1.741	10	20	CDCD	
CCO[C@@H]1C[C@@H](NCc2ccc(C)cc2O)[C@@H]1OC	877352447	YHMPIDOPORHYFV-YUELXQCFSA-N	265.353	1.983	10	20	CDCD	
COCC[C@]1(NCc2cc3c(cc2O)OCO3)CCOC1	775034979	VRMQEHIRNGXTOG-HNNXBMFYSA-N	295.335	1.406	10	20	CDCD	
CCC[C@@H]1C(=O)NCCN1Cc1c(C)cccc1O	876782125	OXNPYBKAUNZWFY-CYBMUJFWSA-N	262.353	1.801	10	20	CDCD	
COC[C@@H](C)N1CCN(c2ccc(OC)cc2OC)CC1	879461079	BXPQLLDNHHQDII-CYBMUJFWSA-N	294.395	1.861	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@]2(C)CCOC2)c1O	775040154	QIQGPNSKDWHURD-CYBMUJFWSA-N	282.296	1.578	10	20	CDCD	
CCN1CCCN(Cc2c(O)cccc2OC)CC1=O	787417538	PIIWNJSXDCVMFN-UHFFFAOYSA-N	278.352	1.455	10	20	CDCD	
COC(C)(C)CC(=O)NCc1cccc(O)c1O	1123977999	NTFKEPWRSQMNPG-UHFFFAOYSA-N	253.298	1.529	10	20	CDCD	
CC(=O)N1CC[C@@H](N[C@H](C)c2c(O)cccc2F)C1	886639675	JHKUZCKVHDZKSK-MWLCHTKSSA-N	266.316	1.803	10	20	CDCD	
COc1ccc(CNCCNC(=O)[C@H](C)OC)cc1C	1124293283	QTFIZBGLNZTERI-LBPRGKRZSA-N	280.368	1.244	10	20	CDCD	
CCOC(=O)[C@@H](NCc1ccccc1O)[C@H]1CCCOC1	789578886	DBKIMFJNWNZIGM-ZFWWWQNUSA-N	293.363	1.840	10	20	CDCD	
CC1(O)CN(Cc2cc(Br)cc(F)c2O)C1	894976964	NSWVBSIHOPCVCF-UHFFFAOYSA-N	290.132	1.860	10	20	CDCD	
C[C@H]1CN(Cc2cccc(Br)c2O)C[C@H]1O	897684350	NERHQUKFCTYCMM-GZMMTYOYSA-N	286.169	1.967	10	20	CDCD	
C[C@@H](NC(=O)CSCC(=O)O)c1ccccc1O	868461596	KUJCOQLKNGHIOO-MRVPVSSYSA-N	269.322	1.387	10	20	CDCD	
CN(C)CCOCCNCc1cc(F)cc(F)c1O	708535645	OMPJNDPWYGIUOB-UHFFFAOYSA-N	274.311	1.338	10	20	CDCD	
CC(C)C[C@H]1C(=O)NCCN1Cc1ccc(N)cc1	1336286250	QBEMESUSCZCKSG-AWEZNQCLSA-N	261.369	1.615	10	20	CDCD	
COC(=O)[C@@H]1CN(Cc2ccc(N)cc2)C[C@H]1C1CC1	1334753169	AWAMMGIXYKGVNK-LSDHHAIUSA-N	274.364	1.900	10	20	CDCD	
Cn1nc(CNC(=O)NCc2ccc(N)cc2)cc1C1CC1	1353485234	WEARECNAHURIDB-UHFFFAOYSA-N	299.378	1.879	10	20	CDCD	
C[C@](N)(C(=O)NCc1cccc(O)c1O)c1ccccc1	1576086661	XJVPYLAMLVLQNG-MRXNPFEDSA-N	286.331	1.588	10	20	CDCD	
C[C@H](NC[C@@H](O)[C@@H]1CCCO1)c1cc(C(=O)O)ccc1O	1593246015	FZTLAOSVYUCUPZ-FZZIBODNSA-N	295.335	1.281	10	20	CDCD	
CC(C)[C@@H](NCc1ccc(N2CC[C@@H](O)C2)cc1)C(=O)O	1776305647	GBZXSYYMGOCRJS-HUUCEWRRSA-N	292.379	1.456	10	20	CDCD	
CN(C)c1ccc(CN[C@H]2C=C[C@H](C(=O)O)C2)cc1	1777039972	PIEZITWQFIDYMY-STQMWFEESA-N	260.337	1.872	10	20	CDCD	
CCN(CC)C[C@@H](C)NC(=O)c1cccc(O)c1O	126367860	AJDWQDXNUWGJQY-SNVBAGLBSA-N	266.341	1.558	10	20	CDCD	
CC(=O)N1CCC[C@H]1C(=O)NCc1ccccc1O	269122020	GDJVXGPGJSTAPA-LBPRGKRZSA-N	262.309	1.019	10	20	CDCD	
CC(C)COCCCNC(=O)c1cccc(O)c1O	186848328	DUABUVHPNJJELP-UHFFFAOYSA-N	267.325	1.890	10	20	CDCD	
COc1ccc(CNCc2cnc(C)n2C)c(O)c1	689211806	OGKIUXIAALAVLM-UHFFFAOYSA-N	261.325	1.733	10	20	CDCD	
Nc1ccc(CN2CCSC[C@H]2CCO)cc1	689700268	ZJQAKEXVTCFTDA-CYBMUJFWSA-N	252.383	1.569	10	20	CDCD	
CC[C@H](NC)C(=O)N(C)Cc1ccc(N(C)C)cc1	692021238	LLTBPZAEUUWTHW-AWEZNQCLSA-N	263.385	1.709	10	20	CDCD	
CCOc1ccc(O)c(CN2CCS(=O)(=O)C[C@@H]2C)c1	179775307	QUESWFDYBDHDOF-NSHDSACASA-N	299.392	1.410	10	20	CDCD	
COc1ccc(O)c(CNC(=O)N[C@@H]2CCCOCC2)c1	181672543	UWFBPRWLYTWGHO-GFCCVEGCSA-N	294.351	1.769	10	20	CDCD	
CCN(CC)c1ccc(CN2CCNC(=O)[C@H]2C)cc1F	123441262	SPAHZLRRMCIGSY-GFCCVEGCSA-N	293.386	1.992	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NCC2OCCO2)c1	180251186	WPYNZYOOIQPJPA-SECBINFHSA-N	253.298	1.424	10	20	CDCD	
CCN(CC(C)(C)O)C(=O)/C=C/c1ccc(O)c(O)c1	180840476	ZCSNEJCWSHXWOO-SOFGYWHQSA-N	279.336	1.730	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2cnc(S)[nH]2)c1	193078765	RTFGWGMKOFUZFV-SSDOTTSWSA-N	293.348	1.904	10	20	CDCD	
CCOc1cccc(CN2CC[C@@H](C(=O)O)C2)c1O	86790424	SXYBMURWYMZGEI-LLVKDONJSA-N	265.309	1.697	10	20	CDCD	
COC(=O)CSCCC(=O)NCc1ccc(O)c(O)c1	269125508	VDQXUJKALUJQOK-UHFFFAOYSA-N	299.348	1.010	10	20	CDCD	
Cc1cc(O)c(CNCC2(S(C)(=O)=O)CC2)cc1C	279618815	ANCLENXOANTEPC-UHFFFAOYSA-N	283.393	1.676	10	20	CDCD	
CC[C@@H](CNS(C)(=O)=O)N[C@H](C)c1ccccc1O	296540040	QWZBSWOEURSSRN-MNOVXSKESA-N	286.397	1.371	10	20	CDCD	
CC[C@H](N)CNC(=O)c1cc(C)n(-c2ccccn2)c1C	295185881	IECRGFXIDHPBSN-ZDUSSCGKSA-N	286.379	1.956	10	20	CDCD	
CO[C@H](C)C(=O)NCc1ccc2c(c1)CCCN2C	299400908	XJBXYEXTBKOCCS-LLVKDONJSA-N	262.353	1.720	10	20	CDCD	
Cc1cc(O)c(CN[C@@H]2CCCN(CCCO)C2)cc1C	824582852	CKOJEODGZKJNQF-MRXNPFEDSA-N	292.423	1.945	10	20	CDCD	
C[C@@H]1CN(C(=O)c2cc(O)cs2)C[C@@H]1C(=O)O	828384583	ATYGXHYPNRWCSI-SVRRBLITSA-N	255.295	1.246	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@H]2C[C@@]23CCNC3)cc1	825973797	QONVZUPWGSMPNG-GOEBONIOSA-N	273.380	1.368	10	20	CDCD	
CC(=O)N1CCCC[C@H]1C(=O)NCc1ccc(O)cc1O	827730984	COWXKSVUDCSCKM-ZDUSSCGKSA-N	292.335	1.115	10	20	CDCD	
Cc1ccncc1/C=C\C(=O)N(C)c1cnn(C)c1	492456018	IVMMQTXPDPXGQN-PLNGDYQASA-N	256.309	1.800	10	20	CDCD	
C[C@@H](C(=O)NC[C@H](N)c1ccc(N(C)C)cc1)C1CC1	832267449	SDMAHWIOOBWACZ-ABAIWWIYSA-N	275.396	1.915	10	20	CDCD	
CCCCNCc1ccc(N2CCS(=O)(=O)CC2)cc1	906530091	YGRXTXCDADEYJS-UHFFFAOYSA-N	296.436	1.811	10	20	CDCD	
Cc1nc(/C=C2\SC(N3CCOCC3)=NC2=O)[nH]c1C	901441428	BGKJQOVYWGBPPH-YFHOEESVSA-N	292.364	1.329	10	20	CDCD	
C[C@H]1CN(CCNCc2c(O)cccc2Cl)CCO1	733328202	KSNNRPMPYOAMCJ-NSHDSACASA-N	284.787	1.856	10	20	CDCD	
CC[C@@H](C)OCC(=O)NC[C@H](N)c1ccc(N(C)C)cc1	832267656	YNJRKYWMAKQIDY-DOMZBBRYSA-N	293.411	1.684	10	20	CDCD	
CO[C@@H]1CCC[C@@H]1CNC(=O)Cc1ccc(N)cc1	831517241	ADZIARCKGUJSMD-TZMCWYRMSA-N	262.353	1.743	10	20	CDCD	
COc1ccc(N(C)CCN(C)Cc2cnnn2C)cc1	844400471	CIBPKNHLEMUGSG-UHFFFAOYSA-N	289.383	1.392	10	20	CDCD	
C[C@H](CNC(=O)NCc1ccc(N(C)C)c(F)c1)C(=O)O	848577972	SWEHQPLBGGSCJS-SECBINFHSA-N	297.330	1.412	10	20	CDCD	
Nc1ccc(CCNC(=O)N[C@H]2CC[C@@H](CO)CC2)cc1	841956586	COAUHODVKFNSDB-OTVXOJSOSA-N	291.395	1.662	10	20	CDCD	
COc1cccc(CNCC[C@H]2CCNC2)c1O	841037521	VCGARRRFEMLUBJ-LLVKDONJSA-N	250.342	1.490	10	20	CDCD	
CC(C)OC(=O)[C@H](C)CNC(=O)c1cc(O)cs1	743737296	ZLJAGKKZGRINDF-MRVPVSSYSA-N	271.338	1.771	10	20	CDCD	
CCN1C[C@H](CN[C@@H](C)c2cc(OC)ccc2O)CC1=O	846095594	BNEJDYXBYWYZBV-RYUDHWBXSA-N	292.379	1.920	10	20	CDCD	
C[C@@H](CNC(=O)c1cc(O)cs1)CC1(C)OCCO1	743487952	LKABASPMTWCEIX-SECBINFHSA-N	285.365	1.973	10	20	CDCD	
COc1ccc(CNC(=O)NC[C@@H]2CCCCN2)c(O)c1	841923149	YBYZBQJYMZFDCC-LBPRGKRZSA-N	293.367	1.342	10	20	CDCD	
CCN(C)C[C@@H](O)CN[C@@H](C)c1ccc(N(C)C)cc1	846860663	LMNVHKKTKHGDBT-BBRMVZONSA-N	279.428	1.716	10	20	CDCD	
CC[C@H](CSC)N(C)C(=O)C(=O)Nc1ccc(N)cc1	841111414	OGBVLBWAZOBYHK-GFCCVEGCSA-N	295.408	1.807	10	20	CDCD	
CCOc1ccc(O)c(CN[C@H](CO)[C@@H]2CCCOC2)c1	840963081	PZNIGEUGKTZXJK-IUODEOHRSA-N	295.379	1.668	10	20	CDCD	
COc1cccc(CN[C@@H]2CCCN[C@@H]2C)c1O	841065042	LKZYBWZFNDLIJG-ZYHUDNBSSA-N	250.342	1.631	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@@H](C)C2(CO)CC2)c1	850517499	VMKWGVOZXYWAQR-QWRGUYRKSA-N	293.363	1.990	10	20	CDCD	
CNC(=O)CCN[C@H](C)c1ccc(N2CCOCC2)cc1	765331226	CUBQLCVMEDILTH-CYBMUJFWSA-N	291.395	1.310	10	20	CDCD	
Cc1cccc(O)c1CN1C[C@@H](CO)O[C@H](C)C1	877466427	JNBSPXSYSYZADU-NEPJUHHUSA-N	251.326	1.282	10	20	CDCD	
CCCN(CC(=O)NC)Cc1c(C)cccc1O	876631610	KWJFAHQNJCJZDX-UHFFFAOYSA-N	250.342	1.659	10	20	CDCD	
CCOCCN(C)Cc1cc2c(cc1O)OC[C@H]2O	771641410	LFTJCPARKPDKEQ-CYBMUJFWSA-N	267.325	1.286	10	20	CDCD	
COCCCN(CCO)Cc1ccc(C)cc1O	877462332	ROWFVZQBSZBMCG-UHFFFAOYSA-N	253.342	1.531	10	20	CDCD	
C[C@@H](Cn1cccn1)NC(=O)/C=C/c1ccc(O)c(O)c1	779478454	HCQPDWXWJLCCNY-MALLOTDXSA-N	287.319	1.512	10	20	CDCD	
CC(C)CN1CCN(Cc2ccc(N)cc2)[C@H](C)C1=O	1120268402	DIEYPNPOQINCKX-CYBMUJFWSA-N	275.396	1.958	10	20	CDCD	
CCN(CC)c1ccc(CN(C)C(=O)[C@@H](C)O)cc1	786707274	IWCKUMVYLGNBMB-GFCCVEGCSA-N	264.369	1.872	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2cc([N+](=O)[O-])n[nH]2)cc1	794619367	WFHBHTRXFIUUBM-UHFFFAOYSA-N	289.295	1.314	10	20	CDCD	
COc1cc(C)cc(CN(CC(N)=O)CC(C)C)c1O	893953415	VGYABPKZILJNEA-UHFFFAOYSA-N	280.368	1.653	10	20	CDCD	
COc1ccc(CNC(=O)c2ccn(C)n2)c(O)c1	794384179	WQEAWWOOAGAGLB-UHFFFAOYSA-N	261.281	1.064	10	20	CDCD	
CCCCC[C@@H](NC(=O)c1cccc(O)c1O)C(=O)OC	790871667	AFTBTSLCWPPLMH-LLVKDONJSA-N	295.335	1.950	10	20	CDCD	
C[C@H](NCC(=O)NCC(F)F)c1cc(F)cc(F)c1O	795846604	ZHVQXWPLBKZBAU-LURJTMIESA-N	294.248	1.702	10	20	CDCD	
CNC[C@H](C)CN[C@@H](C)c1cc([N+](=O)[O-])ccc1O	1327840616	PWAADGDUJKOXOR-UWVGGRQHSA-N	267.329	1.807	10	20	CDCD	
CCc1cccc(CNCC2(C)OCCO2)c1O	716904222	VOEQOGHLGDFBCQ-UHFFFAOYSA-N	251.326	1.807	10	20	CDCD	
Oc1ccc(CCNc2nc[nH]c3nccc2-3)cc1O	754488887	NXPBUIJNLTUPEF-UHFFFAOYSA-N	270.292	1.975	10	20	CDCD	
CO[C@@H]1CCN(c2nnc(-c3sccc3O)n2C)C1	1338089245	WCINFJHCDZIRIE-MRVPVSSYSA-N	280.353	1.474	10	20	CDCD	
c1cc(N2CCCC2)ccc1CNC[C@H]1CNCCCO1	1261370410	IONXHDGJSFMCNX-QGZVFWFLSA-N	289.423	1.755	10	20	CDCD	
Cc1ccc(O)c(CNS(=O)(=O)CC[C@@H]2CCOC2)c1	1261796434	ALIFUICPXWYSMU-LBPRGKRZSA-N	299.392	1.547	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CC(C)(C)CN)cc1F	1521463072	JJSXJJWPGGEDDR-UHFFFAOYSA-N	281.375	1.883	10	20	CDCD	
O=C(O)c1cnc(SC[C@@H](O)C(F)(F)F)s1	1608978691	MRHHOYFECRTOPM-SCSAIBSYSA-N	273.257	1.857	10	20	CDCD	
COC1CC(NCc2cc(F)cc(F)c2O)(C(=O)O)C1	1777164206	CGRFPXHRLPFBSV-UHFFFAOYSA-N	287.262	1.392	10	20	CDCD	
CCOc1ccc(O)c(CN(C)CC(=O)N(C)C)c1	162515090	WYMRKPRIDUKCAJ-UHFFFAOYSA-N	266.341	1.311	10	20	CDCD	
Cc1cccc(CN(C)C[C@@H]2COCCO2)c1O	827140596	LYODELCCRDBGAL-CYBMUJFWSA-N	251.326	1.548	10	20	CDCD	
CC[C@@H](O)CCNCc1ccc(N2CCOCC2)cc1	124386119	CVMRBSIMGFKQKK-MRXNPFEDSA-N	278.396	1.774	10	20	CDCD	
OCC(CO)NCc1ccc(N2CCCCC2)cc1	87751248	MTKIRTZMAUKKAZ-UHFFFAOYSA-N	264.369	1.120	10	20	CDCD	
COC(=O)N(C)CCN[C@H](C)c1ccc(F)cc1O	689594048	JNECNGNWINSAID-SECBINFHSA-N	270.304	1.880	10	20	CDCD	
CCOc1cccc(CN2CCN[C@H](C)[C@@H]2C)c1O	379444577	VVMCGSFGAZULPT-NEPJUHHUSA-N	264.369	1.973	10	20	CDCD	
CCCN1CC[C@@H](NC(=O)Nc2ccc(N)cc2)C1	389538336	AVFUUGNKXMIVNQ-CYBMUJFWSA-N	262.357	1.875	10	20	CDCD	
COC(=O)c1cc(/C=C2\SC(=S)NC2=O)oc1C	9477054	DRSGNIYOYVRSRT-YWEYNIOJSA-N	283.330	1.863	10	20	CDCD	
COc1cccc(CNC[C@@](C)(O)c2ccco2)c1O	174531476	ZDKIMGCLDWOSME-OAHLLOKOSA-N	277.320	1.991	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2ncoc2C)c1	114542526	ZPXUFDJBJNDQGM-UHFFFAOYSA-N	262.265	1.627	10	20	CDCD	
Cc1ccc(C(=O)NC[C@@]2(C)CCCO2)c(O)c1O	182587057	RLKYDZHLGJLRRR-CQSZACIVSA-N	265.309	1.705	10	20	CDCD	
Cc1ccc(C(=O)NCCc2ccc(O)c(O)c2)cn1	156722302	HULRRNVPUTWFQT-UHFFFAOYSA-N	272.304	1.774	10	20	CDCD	
Cc1ccc(C(=O)NCc2ccc(O)c(O)c2)n1C	182512455	RZVPSARHXUMAES-UHFFFAOYSA-N	260.293	1.675	10	20	CDCD	
N[C@@H](CO)c1cc(Br)cc(F)c1O	72199085	KYPRMAGOMIUHBA-ZETCQYMHSA-N	250.067	1.286	10	20	CDCD	
O[C@@H]1CC[C@H](CNCc2ccc(N3CCOCC3)cc2)C1	188847790	FFAMVTFIBYEPEC-DOTOQJQBSA-N	290.407	1.774	10	20	CDCD	
CCNC(=O)CNCc1cccc(Br)c1O	42411937	NOANOCDYEQVKSA-UHFFFAOYSA-N	287.157	1.380	10	20	CDCD	
C/C=C/C[C@H](CO)NC(=O)c1cccc(O)c1O	193167145	GPTBYUQZNORDKQ-GKQMSVHHSA-N	251.282	1.155	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN(C)C1CC1	47921502	VPXGFTYOJDCFFF-UHFFFAOYSA-N	275.396	1.805	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@H]2CCCNC2)cc1	40825782	JANWOUZZYBGOJI-ZDUSSCGKSA-N	261.369	1.368	10	20	CDCD	
COc1ccc(CNC[C@H]2CCCS(=O)(=O)C2)cc1C	290112076	LFHWTAZXUNHJKD-CQSZACIVSA-N	297.420	1.918	10	20	CDCD	
CCCCN(CC(N)=O)Cc1cc(C)ccc1O	132864140	QPIJWXDORVHLQV-UHFFFAOYSA-N	250.342	1.788	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCC(=O)NC1	47797445	GJYZMEJUOOWSPA-CYBMUJFWSA-N	289.379	1.237	10	20	CDCD	
COCC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	49180134	JKESVHBQESPLON-LBPRGKRZSA-N	278.352	1.347	10	20	CDCD	
COc1cccc(CNC[C@@H](O)C(F)(F)F)c1O	227439270	MVRDRYKPCGMCTC-SECBINFHSA-N	265.231	1.414	10	20	CDCD	
COc1ccc(-n2c(C)cc(C(=O)NCCN)c2C)cc1	237304332	GHUSZBOYONATTM-UHFFFAOYSA-N	287.363	1.791	10	20	CDCD	
COC[C@H](CCO)N[C@H](C)c1cc(C)ccc1O	230663253	YYMAIIZEZUQQON-NEPJUHHUSA-N	253.342	1.749	10	20	CDCD	
COCCOCC(=O)NCc1c(C)c2ccccc2n1C	348663342	SJOQLLRFMWFGKI-UHFFFAOYSA-N	290.363	1.766	10	20	CDCD	
CCOc1ccc(O)c(CN2C[C@@H](C)O[C@@H](CO)C2)c1	249491562	VLVLWRHWAOPQMC-BXUZGUMPSA-N	281.352	1.373	10	20	CDCD	
CCN(CCC(=O)OC)C(=O)c1c(F)ccc(O)c1O	276659628	XVQIYUXQYBWTBZ-UHFFFAOYSA-N	285.271	1.262	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@]1(O)CCSC1	274972153	WGFXGMKHNULQGT-OTYXRUKQSA-N	297.376	1.013	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CC[C@H](C2CCOCC2)C1	365962417	DARCIZWIYOIZIQ-LBPRGKRZSA-N	291.347	1.987	10	20	CDCD	
CC(C)OCc1cc(NS(=O)(=O)N(C)C)ccc1O	290427707	AJMGCBXPPBONEJ-UHFFFAOYSA-N	288.369	1.536	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CN(C)[C@H]2CCOC2)cc1	299219081	IGNYRXCNPIBWIB-HNNXBMFYSA-N	291.395	1.090	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CN(C)[C@@H]2CCOC2)cc1	299219084	IGNYRXCNPIBWIB-OAHLLOKOSA-N	291.395	1.090	10	20	CDCD	
Cc1ccc(C(=O)NC[C@@H](C)CCCO)c(O)c1O	296010514	LAADNFUHXMRDGC-VIFPVBQESA-N	267.325	1.545	10	20	CDCD	
CC(=O)C(=O)COC(=O)CCCOc1ccc(C)cc1	808483893	BZXRWGFGRGHQLX-UHFFFAOYSA-N	278.304	1.855	10	20	CDCD	
COCC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	298418642	YNDOZEOBJKYTCG-UHFFFAOYSA-N	262.353	1.890	10	20	CDCD	
C[C@H](N[C@H]1CCNC1)c1ccc(N2CCOCC2)c(F)c1	817945032	RVLRFOLBVMWWNU-JSGCOSHPSA-N	293.386	1.675	10	20	CDCD	
C[C@@H](NC[C@H]1CNCCO1)c1cc2c(cc1O)CCCC2	817982351	CLUCYAHHTOEGLO-IUODEOHRSA-N	290.407	1.910	10	20	CDCD	
CC(C)[C@H](C(=O)NCCc1ccc(N)cc1)[C@H](C)N	818545150	MBOWFKKEASZUPG-FZMZJTMJSA-N	263.385	1.547	10	20	CDCD	
CCOc1ccc(O)c(CNC[C@@H]2CCOC[C@@H]2OC)c1	824708985	LQHGQQTZDPVIKQ-LRDDRELGSA-N	295.379	1.932	10	20	CDCD	
Cc1noc([C@H](C)NC(=O)NCc2ccccc2O)n1	726250727	BLGRGVNNOSWGGT-QMMMGPOBSA-N	276.296	1.644	10	20	CDCD	
CCN(C(=O)c1cc(O)cs1)[C@@H](C)CS(C)(=O)=O	733002318	ZJIAFARUTMKFDT-QMMMGPOBSA-N	291.394	1.349	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CN1CCCC1	821806381	AUTNDSMKKKLXQQ-NSHDSACASA-N	278.352	1.241	10	20	CDCD	
COC1(C)CN(Cc2ccc(N3CCOCC3)c(F)c2)C1	839103172	YAXVVNQVWMPFQK-UHFFFAOYSA-N	294.370	1.883	10	20	CDCD	
CN(C)c1ccc(CNC[C@](C)(O)C(F)F)cc1F	905077534	ZSEWPYRDAPJZSE-ZDUSSCGKSA-N	276.302	1.997	10	20	CDCD	
CC(C)(C)n1cc(C(=O)NCc2ccc(O)cc2O)cn1	910951971	NBLHCULSLPUEAE-UHFFFAOYSA-N	289.335	1.979	10	20	CDCD	
CC(C)(N)c1nocc1C(=O)NCCc1ccc(N)cc1	848395309	SCYYRNVCUDJRGK-UHFFFAOYSA-N	288.351	1.423	10	20	CDCD	
CC(C)(CCNCc1cc(F)ccc1O)S(C)(=O)=O	840960030	BUGFDJIFMJZMPS-UHFFFAOYSA-N	289.372	1.834	10	20	CDCD	
CCS(=O)(=O)C1CN(Cc2cc(OC)ccc2O)C1	841885588	GAQKVMMKCQUYIV-UHFFFAOYSA-N	285.365	1.020	10	20	CDCD	
Cc1ccc(C(=O)Nc2nnn(C)c2C)c(O)c1O	840572461	RFEAXTPXRQMFRT-UHFFFAOYSA-N	262.269	1.095	10	20	CDCD	
O=C(NCc1cc(Cl)ccc1O)C1(O)CCOCC1	846474267	SVYYUNCOYMLHBK-UHFFFAOYSA-N	285.727	1.203	10	20	CDCD	
CN(C(=O)c1cn(C)nc1-c1cccnc1)c1ccn(C)n1	681357705	YSRZKICCHIPCLQ-UHFFFAOYSA-N	296.334	1.492	10	20	CDCD	
CCO[C@@H]1COC[C@H]1NC(=O)NCc1cc(C)ccc1O	858524399	MIEUPENWMWWZOC-TZMCWYRMSA-N	294.351	1.304	10	20	CDCD	
COC(=O)c1cc(/C=C2\SC(=S)NC2=O)cn1C	756628131	SSTCTBWQOPIZHV-YWEYNIOJSA-N	282.346	1.301	10	20	CDCD	
Nc1ccc(NC(=O)C(=O)N2CC[C@H]3C[C@H]3C2)cc1	850850965	LOWKCCXRXMYMFI-UWVGGRQHSA-N	259.309	1.076	10	20	CDCD	
COC[C@](C)(CC(=O)OC)NCc1cc(OC)ccc1O	757926790	OOYFNTSQGKWYTR-HNNXBMFYSA-N	297.351	1.459	10	20	CDCD	
CCOCCOCCNC(=O)N[C@H](C)c1ccccc1O	927538431	GUOVDYREGACUKR-GFCCVEGCSA-N	296.367	1.806	10	20	CDCD	
C[C@H](NC[C@@H]1COCCO1)c1cc(F)cc(F)c1O	756433168	AFYSJTDYSCALEC-WCBMZHEXSA-N	273.279	1.736	10	20	CDCD	
CN(C)c1ccc(Cn2cc([N+](=O)[O-])ccc2=O)cc1	920240568	UGFGPDGCYSEZDV-UHFFFAOYSA-N	273.292	1.871	10	20	CDCD	
CC(C)(C)[C@H](O)C(=O)NCCc1ccc(O)c(O)c1	767775745	ULOZSSVJYUCDPN-GFCCVEGCSA-N	267.325	1.164	10	20	CDCD	
C[C@H](NC(=O)c1nc(=N)cc[nH]1)c1ccc(N(C)C)cc1	865977793	GXTMORGYKCNRCB-JTQLQIEISA-N	285.351	1.446	10	20	CDCD	
CNS(=O)(=O)C[C@@H]1CCCN1Cc1cc(C)ccc1O	769534716	YSWJQOOXXHPMQO-ZDUSSCGKSA-N	298.408	1.214	10	20	CDCD	
Cc1cc(C(=O)NCc2ccc(O)c(O)c2)ns1	768083728	YZKPTRYGIUZZEA-UHFFFAOYSA-N	264.306	1.793	10	20	CDCD	
CC[C@H](CO)N(C)Cc1ccc(N2CCC(O)CC2)cc1	877555743	ADVVWLRSBSMYCK-OAHLLOKOSA-N	292.423	1.850	10	20	CDCD	
O=C(N[C@@H]1CCn2ccnc2C1)c1cc(O)cs1	779448998	RZNMDVYFWOGDKE-MRVPVSSYSA-N	263.322	1.395	10	20	CDCD	
C[C@@H](O)[C@@H](C)NCc1ccc(N2CCC(CO)CC2)cc1	1118179613	ZUVCAPYXLDHDGM-ZIAGYGMSSA-N	292.423	1.754	10	20	CDCD	
CC[C@@H](CO)C(=O)N1CCOc2cc(N(C)C)ccc21	779639494	OLMKOOCHVQTXQT-NSHDSACASA-N	278.352	1.497	10	20	CDCD	
CCc1nnsc1C(=O)NCc1cccc(O)c1O	1123889994	SVXFGVCPFFCVMN-UHFFFAOYSA-N	279.321	1.442	10	20	CDCD	
C[C@@H](NC(=O)c1ccn(C)n1)c1ccc(N(C)C)cc1	775412371	XHXOWUOAEGSRCQ-LLVKDONJSA-N	272.352	1.977	10	20	CDCD	
C[C@@H]1C[C@H](NC(=O)NCc2ccc(N(C)C)cc2)C(=O)O1	883127344	SCGKXTXXCQHLJR-MFKMUULPSA-N	291.351	1.256	10	20	CDCD	
CC(=O)N1C[C@@H]2CN(Cc3cc(F)ccc3O)C[C@@H]2C1	895576183	JUNHZIRUIRYNTI-BETUJISGSA-N	278.327	1.441	10	20	CDCD	
CCc1ncncc1C(=O)NCc1ccc(OC)cc1O	794379412	RCCQYQMSKOQNJU-UHFFFAOYSA-N	287.319	1.683	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CCSC[C@H]2CO)c1O	388399945	VCNKBJLXRLVMEH-GFCCVEGCSA-N	299.367	1.644	10	20	CDCD	
O=C(O)[C@H](NCc1cc(Cl)ccc1O)C1CC1	86757720	ZUYSESBGZIKCAP-LLVKDONJSA-N	255.701	1.998	10	20	CDCD	
CCN(CC(N)=O)Cc1cc(Cl)cc(OC)c1O	188466556	FTPPGDGJCXLHMK-UHFFFAOYSA-N	272.732	1.361	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)C(=O)NCCC(C)(C)C	1322213680	ARODLNAFDVHDJX-UHFFFAOYSA-N	292.379	1.903	10	20	CDCD	
CN1CCC(NCc2cc(F)cc(F)c2O)CC1	708550003	UZYXQUMDCZSBCQ-UHFFFAOYSA-N	256.296	1.854	10	20	CDCD	
C[C@@H](O)[C@@H]1CCCN(C(=O)c2cccc(O)c2O)C1	688865413	XOGTVUVSXPHYLC-NXEZZACHSA-N	265.309	1.331	10	20	CDCD	
COc1ccc(O)c(CNCc2cnc3n2CCC3)c1	719851881	PESLSFXLKJABFU-UHFFFAOYSA-N	273.336	1.833	10	20	CDCD	
COc1cccc(CNC(=O)[C@H]2C[C@@H](C(=O)OC)C2)c1O	1336404463	DXBAVQSMZCKSHS-PHIMTYICSA-N	293.319	1.216	10	20	CDCD	
C[C@H](CC(=O)NCc1ccc(N)cc1)[C@@H]1CCCNC1	1263303728	GGMAREPVXSKIQJ-TZMCWYRMSA-N	275.396	1.911	10	20	CDCD	
Cc1nn(C)cc1[C@H](C)NC(=O)NCc1ccc(N)cc1	1357211422	XEOYDRCODJXQDL-JTQLQIEISA-N	287.367	1.871	10	20	CDCD	
C[C@]1(CO)C[C@@H](O)CN1Cc1ccc(N2CCCC2)cc1	1353562126	SYWNLJQGGWTCLR-IAGOWNOFSA-N	290.407	1.604	10	20	CDCD	
O=C(N[C@@H](C(=O)O)c1ccccn1)c1cc(O)cs1	1601401359	DMPZUNOCEGYKAC-SNVBAGLBSA-N	278.289	1.404	10	20	CDCD	
O=C(O)[C@@H](NCc1ccc(F)c(F)c1O)C1CC1	1608550546	UAWBHRRWMYBOAL-JTQLQIEISA-N	257.236	1.623	10	20	CDCD	
COc1ccc2c(c1)CCN2Cc1c(C(=O)O)cnn1C	1574225728	FPADTHURVLLBTJ-UHFFFAOYSA-N	287.319	1.690	10	20	CDCD	
CCN(C)c1ccc(CN2C[C@H]3C[C@@]2(C(=O)O)CO3)cc1	1776855717	ZZXHHMCROJRSHP-ZBFHGGJFSA-N	290.363	1.571	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CC[C@H](C)[C@@H]2CO)c1O	227055807	ZUWQIEYDXDXMCR-XPTSAGLGSA-N	281.327	1.937	10	20	CDCD	
COc1ccc(O)c(CN2CCS(=O)(=O)C[C@H]2C)c1	180313226	BQJSXGHUNFTVSS-SNVBAGLBSA-N	285.365	1.020	10	20	CDCD	
O=C1CCCN1CCN[C@H]1CCc2cccc(O)c21	405331603	ASQZTGMPQKJEHI-LBPRGKRZSA-N	260.337	1.592	10	20	CDCD	
C[C@@H](NC(=O)COC1CCNCC1)c1ccccc1O	870988800	ZYRODALFBLXYGG-LLVKDONJSA-N	278.352	1.338	10	20	CDCD	
Oc1cc2c(cc1CN1CCC[C@@H](O)C1)OCO2	7011660	LYQDAXMUUFVWTA-SNVBAGLBSA-N	251.282	1.078	10	20	CDCD	
COCCS(=O)(=O)NCc1ccc2c(c1)CCCN2C	101575492	YOMAZNYTLGHDNO-UHFFFAOYSA-N	298.408	1.135	10	20	CDCD	
CCc1cc(NCCc2ccc(O)c(O)c2)n2ncnc2n1	301542774	CXZGSLVJNXDARO-UHFFFAOYSA-N	299.334	1.753	10	20	CDCD	
NCc1ccc2c(c1)CCCN2CC(=O)N1CCCCC1	62801557	RHJZXNCQSOFGFK-UHFFFAOYSA-N	287.407	1.910	10	20	CDCD	
CC1(C)CN(CCNCc2ccccc2O)CCO1	171766730	NTQYCBGOZOWUNI-UHFFFAOYSA-N	264.369	1.593	10	20	CDCD	
C[C@H](CC[S@@](C)=O)NCc1ccc(N(C)C)cc1	125483226	WIJUFOKTDKSHKU-XIKOKIGWSA-N	268.426	1.999	10	20	CDCD	
C[C@@H](N[C@H]1CC(=O)N(C2CC2)C1)c1ccccc1O	183614290	AEZPWROXGRCVSV-MNOVXSKESA-N	260.337	1.806	10	20	CDCD	
CO[C@@H](C)C(=O)NCCCSc1nccs1	74136501	MUHIWPRRFKQETJ-QMMMGPOBSA-N	260.384	1.776	10	20	CDCD	
O=[N+]([O-])c1ccc(O)c(CNC[C@@H]2CC[C@H](O)C2)c1	188815234	CPLSEDKZMFMGRI-SKDRFNHKSA-N	266.297	1.551	10	20	CDCD	
CC1(C)[C@@H](O)C[C@@H]1NC(=O)/C=C/c1ccc(O)c(O)c1	190488646	GUUXHIBJHNZMDU-VFQZCJPISA-N	277.320	1.387	10	20	CDCD	
C[C@@H]1CN(Cc2cc(Br)ccc2O)CCN1	92456745	CCQVXRKMTMCGHL-SECBINFHSA-N	285.185	1.948	10	20	CDCD	
COC[C@H](C)CC(=O)NCCc1ccc(N)cc1	95033987	CVKYNIVPPJIOJX-LLVKDONJSA-N	250.342	1.600	10	20	CDCD	
CCN(C)c1ccc([C@H](C)NC[C@]2(O)CCOC2)cc1	90850005	LAJHQRNASUSJGC-XJKSGUPXSA-N	278.396	1.945	10	20	CDCD	
CN1C(=O)c2ccc(C(=O)Nc3ccc(N)cc3)cc2C1=O	237835896	BUDBQZOFMDVMGM-UHFFFAOYSA-N	295.298	1.747	10	20	CDCD	
COC(=O)[C@@]1(F)CCN(Cc2cccc(OC)c2O)C1	93887950	KWZAZIQDPZFULG-CQSZACIVSA-N	283.299	1.488	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H](C)c2ncn(C)n2)c(O)c1O	275611520	QOVGKXFJWBBSJJ-QMMMGPOBSA-N	276.296	1.026	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)c(O)c1O	272770566	SBBXUZGCESPEIA-ZWNOBZJWSA-N	290.363	1.619	10	20	CDCD	
C[C@@H](N[C@@H]1CC(=O)N(C)C1)c1cc(Cl)ccc1O	273576941	MBBUUYQKYLQZNM-PSASIEDQSA-N	268.744	1.927	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)[C@]1(F)CCNC1	370783420	YEVJEUQXKXGBMK-HNNXBMFYSA-N	293.342	1.180	10	20	CDCD	
CCc1cnc(CNC(=O)c2ccc(C)c(O)c2O)o1	281540132	JNRVMWDRMSPOBN-UHFFFAOYSA-N	276.292	1.887	10	20	CDCD	
CCCCN(Cc1ccccc1O)C(=O)c1cnnn1C	282572338	VFLCXWNEDLJDLA-UHFFFAOYSA-N	288.351	1.963	10	20	CDCD	
CNC(=O)[C@@H]1CCCN1Cc1ccc(N(C)C)c(C)c1	293510135	OHIDBQLCQYOTOF-HNNXBMFYSA-N	275.396	1.771	10	20	CDCD	
C[C@H]1CN(CCOC(=O)c2cc(O)cs2)CCO1	800167075	ZCKWUQLJWRNKPU-VIFPVBQESA-N	271.338	1.331	10	20	CDCD	
C[C@H](NCCCN1CCNCC1)c1ccc(N(C)C)cc1	817937640	YSPAKWAKVMBQTF-HNNXBMFYSA-N	290.455	1.699	10	20	CDCD	
CCOC(=O)[C@@H](F)C1CN(Cc2ccccc2O)C1	816634314	DQVVAMUTYDMFOT-ZDUSSCGKSA-N	267.300	1.725	10	20	CDCD	
CO[C@H]1CCC[C@@H](C(=O)NCCc2ccc(O)c(O)c2)C1	815833861	HXKJVWXWKVTNBN-OLZOCXBDSA-N	293.363	1.962	10	20	CDCD	
Cn1cc(/C=C\C(=O)N2C[C@@H](N)Cc3ccccc32)cn1	818019417	DVWSNLOBTYBUMF-AFNCTOJWSA-N	282.347	1.350	10	20	CDCD	
COC[C@H](O)CNCc1cc(Cl)c(C)cc1O	825803629	CZVOFDZNVVYNFF-SNVBAGLBSA-N	259.733	1.451	10	20	CDCD	
Oc1ccc(F)cc1CN1CCC[C@H](n2ccnn2)C1	822503793	LNFPQJZKKBUYEP-ZDUSSCGKSA-N	276.315	1.960	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)C[C@@H]2CCNC2)c1	828666898	JWJAGARYYDKTMU-MNOVXSKESA-N	278.352	1.578	10	20	CDCD	
COc1ccc(CN[C@@H](C(=O)O)[C@H]2CCCOC2)cc1C	901834790	YLHJIYMLETYCPF-DZGCQCFKSA-N	293.363	1.973	10	20	CDCD	
COc1cccc(CN2CC[C@@H](OC)C[C@@H]2C(=O)O)c1O	833735678	SJARNUMVTGPFHA-VXGBXAGGSA-N	295.335	1.465	10	20	CDCD	
C[C@H](O)CNCc1ccc(N2CCC(CO)CC2)cc1	843066388	WDKKLTDKUYXEAR-ZDUSSCGKSA-N	278.396	1.366	10	20	CDCD	
Nc1ccc(CCNC(=O)NC[C@H]2CCCCN2)cc1	841922991	WLTZVZSFTIBCKQ-CQSZACIVSA-N	276.384	1.253	10	20	CDCD	
CCC[C@H](O)[C@@H](CO)NCc1c(O)cccc1Cl	842224287	BRXZQLNCDVTQRK-YPMHNXCESA-N	273.760	1.657	10	20	CDCD	
CN(C)c1ccc([C@@H](N)CNCc2ccn(C)n2)cc1	841042851	LYEZIDCQDGTYMD-HNNXBMFYSA-N	273.384	1.276	10	20	CDCD	
COC[C@H](CN[C@@H](C)c1cccc(OC)c1O)OC	846166502	XZEMNOQPPUMATP-QWRGUYRKSA-N	269.341	1.713	10	20	CDCD	
CN(C)c1ccc(CN[C@@H]2CC[C@H](C(N)=O)C2)cc1	825279480	RFBNCPWKGSYYPI-QWHCGFSZSA-N	261.369	1.496	10	20	CDCD	
CCO[C@@H]1COCC[C@H]1NCc1cccc(OC)c1O	759173066	MJKSDYNRISMDPS-TZMCWYRMSA-N	281.352	1.684	10	20	CDCD	
CC(C)(O)CCOC(=O)/C=C/c1ccc(O)c(O)c1	765494198	KVRVCBOUNRGKGP-GQCTYLIASA-N	266.293	1.815	10	20	CDCD	
O[C@H](CNc1ccccc1OCCF)CN1CCCC1	863559093	GSKNFLJEPMXECQ-CYBMUJFWSA-N	282.359	1.904	10	20	CDCD	
COc1cccc(O)c1CN1CC[C@H](C)[S@@](=O)CC1	763494460	ULDVKUKGRKSJIP-WLRWDXFRSA-N	283.393	1.744	10	20	CDCD	
Nc1ccc(NC(=O)/C=C/CN2CCOCC2)cc1	876504334	MXBAIKVZGZAKQY-OWOJBTEDSA-N	261.325	1.096	10	20	CDCD	
Cc1nn(C)c2ncc(NC(=O)c3cccc(O)c3O)cc12	776327438	KZXHXFPVJQALER-UHFFFAOYSA-N	298.302	1.940	10	20	CDCD	
Cc1cc(O)c(CN2CCC(NCCO)CC2)cc1C	873215888	GGDCYJASXBRULQ-UHFFFAOYSA-N	278.396	1.555	10	20	CDCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@H]2NCCN1CCNC1=O	1119376678	ZJDCJZBBBQWSRH-NWDGAFQWSA-N	289.379	1.864	10	20	CDCD	
Cc1cccc(CN2CCN(C[C@H]3CCCO3)CC2)c1O	775645534	AXOXXRXBESCECY-MRXNPFEDSA-N	290.407	1.997	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2C[C@@H]3C[C@]3(CO)C2)c1O	775098518	WXENXMANBMSCRI-IINYFYTJSA-N	294.307	1.123	10	20	CDCD	
C[C@H](NCCN1CC[C@@H](O)C1)c1c(O)cccc1F	886643304	QOVBNWOKJPCDJB-WDEREUQCSA-N	268.332	1.249	10	20	CDCD	
CN(C)c1ccc(CNc2nc3ncccn3n2)cc1F	788452308	XLYPEBHXOVVSNM-UHFFFAOYSA-N	286.314	1.942	10	20	CDCD	
Cn1nccc1[C@H]1CN(Cc2cc(F)ccc2O)CCO1	897562908	HWMQYAPMJUMZRZ-OAHLLOKOSA-N	291.326	1.838	10	20	CDCD	
COc1ccc(CN2C[C@@H](C)C[C@@H](O)C2)c(O)c1OC	894788679	WCWPALSAYBVUIQ-CMPLNLGQSA-N	281.352	1.612	10	20	CDCD	
COc1ccc(CNC(=O)c2nnc(C)s2)c(O)c1	794761980	NVFCATBUZGUHBU-UHFFFAOYSA-N	279.321	1.491	10	20	CDCD	
COc1ccc(CNC(=O)c2cncc(Cl)n2)c(O)c1	796351000	RJTXUNNDQOUSLZ-UHFFFAOYSA-N	293.710	1.774	10	20	CDCD	
COC[C@H](CO)NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1	793063300	YMCUTYHPQMCXNM-AAEUAGOBSA-N	295.383	1.120	10	20	CDCD	
COCC(=O)NCCC1=CCN(c2cccc(F)n2)CC1	1089797654	DNYJAQHRQCMQRI-UHFFFAOYSA-N	293.342	1.510	10	20	CDCD	
CN(Cc1ccccc1O)c1ccc(C(=O)O)nn1	1777076942	ZFUUJZIESIVSBI-UHFFFAOYSA-N	259.265	1.517	10	20	CDCD	
C[C@H](NC(=O)C(=O)N1CC(F)C1)c1ccc(N(C)C)cc1	1325143612	ZJDMDJXSOVTRKI-JTQLQIEISA-N	293.342	1.110	10	20	CDCD	
CC1(CNCc2cc(F)cc(F)c2O)OCCO1	708393304	CBBDEDYNXIQRPZ-UHFFFAOYSA-N	259.252	1.523	10	20	CDCD	
C[C@H]1CN(C(=O)c2c(F)ccc(O)c2O)CCN1C	1324693844	RUCRDIQNPWTGDK-QMMMGPOBSA-N	268.288	1.013	10	20	CDCD	
Cc1noc(C2CN(C(=O)NCc3ccc(N)cc3)C2)n1	1335725282	LXOTZUGRSAJVQD-UHFFFAOYSA-N	287.323	1.269	10	20	CDCD	
C[C@H](NC(=O)CCn1cnnn1)c1ccc(N(C)C)cc1	1336048704	XSBMYCFMJKYDJN-NSHDSACASA-N	288.355	1.007	10	20	CDCD	
COc1ccc(CN[C@@H](C)c2nncn2C)c(O)c1OC	1334170138	YQNYYFNDDULXTL-VIFPVBQESA-N	292.339	1.389	10	20	CDCD	
CC1(O)CN(Cc2ccc(N3CCOCC3)c(F)c2)C1	1330622609	SXNMGMXRQJAPOW-UHFFFAOYSA-N	280.343	1.229	10	20	CDCD	
C[C@H](CC(=O)NCc1ccc(N)cc1)[C@H]1CCCNC1	1263303727	GGMAREPVXSKIQJ-OCCSQVGLSA-N	275.396	1.911	10	20	CDCD	
CN(C)c1ccc([C@H](N)CNC(=O)[C@@H]2C[C@@H]2F)cc1	1521145488	VZGIOQITWUPVAG-FRRDWIJNSA-N	265.332	1.227	10	20	CDCD	
Oc1cccc(Cl)c1CNc1n[nH]cc1-c1nn[nH]n1	1607111847	LSPKYFZGBPGKNG-UHFFFAOYSA-N	291.702	1.561	10	20	CDCD	
CC[C@H](NCCF)c1cccc(-c2nn[nH]n2)c1O	1604054956	JWGXJAZJVPLGGA-JTQLQIEISA-N	265.292	1.583	10	20	CDCD	
O=C(NCc1cc(O)ccc1O)c1ccnc(C(=O)O)c1	1608462666	HTDGLGBOWVVBOD-UHFFFAOYSA-N	288.259	1.121	10	20	CDCD	
Cc1ccc(CN2CCC([C@@H](O)C(=O)O)CC2)c(O)c1	1600412608	JQQANYOOFVMGJR-CQSZACIVSA-N	279.336	1.358	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)c1csc(C(=O)O)n1	1606169759	HMYKNGVNCMKFHA-UHFFFAOYSA-N	292.316	1.819	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NC[C@H]2CC[C@@H](N)C2)c1	1579723908	UMFIIDVNYYROEL-WCQYABFASA-N	277.368	1.627	10	20	CDCD	
CN(C)c1ccc(CNc2ccn(CC(=O)O)n2)cc1F	1593708849	HCIUWBSPTXGUFN-UHFFFAOYSA-N	292.314	1.785	10	20	CDCD	
COc1ccc(CNC(=O)c2ccc(C(=O)O)[nH]2)c(O)c1	1599570557	ZQSVZGCZUFECFQ-UHFFFAOYSA-N	290.275	1.357	10	20	CDCD	
C[C@@](O)(CNCc1c(O)ccc(Cl)c1F)CC(=O)O	1776460859	AHBQTNLHUSOZTR-LBPRGKRZSA-N	291.706	1.500	10	20	CDCD	
CCn1cnnc1CN(C)c1ccc(OCC(=O)O)cc1	1777013815	ZDSXARHRUOLHPW-UHFFFAOYSA-N	290.323	1.398	10	20	CDCD	
CC(C)NC(=O)CN[C@@H](C)c1ccc(N(C)C)cc1	37262752	CGMZOFDAWYADDB-LBPRGKRZSA-N	263.385	1.928	10	20	CDCD	
CC(C)N(CCC(=O)O)C(=O)Cc1ccc(N)cc1	40484321	XROMEWNYBCQEIS-UHFFFAOYSA-N	264.325	1.523	10	20	CDCD	
CN(C)C[C@@H]1CCN(Cc2cc(F)ccc2O)C1	180148466	QBQDHYBVPMDQPK-NSHDSACASA-N	252.333	1.915	10	20	CDCD	
CCN(C)C(=O)[C@H](C)NCc1cc2c(cc1O)OCO2	188493749	ZMDHZMVAPXCFIY-VIFPVBQESA-N	280.324	1.077	10	20	CDCD	
COc1ccc(O)c(CN2CC[C@H](C(=O)O)[C@@H](C)C2)c1	312712737	TUULICXOGFSAKI-GWCFXTLKSA-N	279.336	1.943	10	20	CDCD	
COc1cccc(CN2CC[C@H](C(=O)O)[C@@H](C)C2)c1O	312898628	RXMHFGVRAAXQCG-JQWIXIFHSA-N	279.336	1.943	10	20	CDCD	
CCN(CC)c1ccc(CN[C@@H]2CCOC[C@H]2O)cc1	706789158	JHNQXBFXVBPIBO-HZPDHXFCSA-N	278.396	1.772	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2csnn2)cc1F	58972716	KFGWWIBBVXCONW-UHFFFAOYSA-N	280.328	1.673	10	20	CDCD	
CC(C)NC(=O)CN1CCN(Cc2ccccc2O)CC1	179553764	FPPGUFMKOFRHNP-UHFFFAOYSA-N	291.395	1.034	10	20	CDCD	
CC(=O)N1CCN(Cc2cccc(Cl)c2O)CC1	124505917	KVXWGDRBINFENH-UHFFFAOYSA-N	268.744	1.710	10	20	CDCD	
CC(C)C[C@H](CCO)CNC(=O)c1cccc(O)c1O	187160056	MFJDAQDOBOGLII-NSHDSACASA-N	281.352	1.872	10	20	CDCD	
CCNC(=O)[C@@H](C)NCc1cc(OC)ccc1O	36794588	NQYYEQCGJHOUBH-SECBINFHSA-N	252.314	1.015	10	20	CDCD	
Cc1ncc(C(=O)NCc2ccc(O)c(O)c2)c(C)n1	182522114	YJVUCTDTTFWYEO-UHFFFAOYSA-N	273.292	1.435	10	20	CDCD	
Cc1ccc(C(=O)NCc2nccn2C(F)F)c(O)c1O	182245743	AMOYLIGMPBFYRT-UHFFFAOYSA-N	297.261	1.928	10	20	CDCD	
C[C@H]1OCC[C@]1(C)NCc1cc2c(cc1O)OCO2	230153859	XXXHQIKWNHYHDA-OTYXRUKQSA-N	265.309	1.778	10	20	CDCD	
C[C@]1(CNC(=O)Cc2ccc(N)cc2)CCCC[C@H]1O	237780953	LVSVOYGOXZQIBS-GDBMZVCRSA-N	276.380	1.869	10	20	CDCD	
COc1ccc(O)c(CN2CC[C@@H](C(=O)O)[C@@H]2C)c1	92944185	CHSPPYSKYZDWNT-JOYOIKCWSA-N	265.309	1.696	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H](N)CC(F)F	345796867	LFRANIFZEGBIMR-SNVBAGLBSA-N	299.321	1.461	10	20	CDCD	
COc1ccc(O)c(CNC[C@@]2(O)CCSC2)c1	182557854	PRFAPCZIIGCITO-ZDUSSCGKSA-N	269.366	1.358	10	20	CDCD	
COCCCCNCc1ccc([N+](=O)[O-])c(OC)c1O	278846807	KRGQDPHCTIQHET-UHFFFAOYSA-N	284.312	1.825	10	20	CDCD	
COC[C@@H](NCc1ccccc1O)[C@@H]1CCCO1	278555234	BVRWNMUNRTZABO-OCCSQVGLSA-N	251.326	1.676	10	20	CDCD	
COC(=O)C[C@@H]1COCCN1Cc1cc(C)ccc1O	377835624	VJLFVBSSWRAREF-CYBMUJFWSA-N	279.336	1.465	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@H]2C[C@]23CCOC3)cc1F	372020912	PFJIAMDNTMFXRN-LRDDRELGSA-N	292.354	1.935	10	20	CDCD	
O=C(c1cccc2c1CCNC2)N1CCn2nccc21	639034768	MRNUYNYOXWZZMH-UHFFFAOYSA-N	268.320	1.189	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2C[C@@H](O)C(C)(C)C2)c1O	280560597	UXXWICAPJDXQAT-LLVKDONJSA-N	296.323	1.512	10	20	CDCD	
COCC(COC)NCc1ccc(N2CCOCC2)cc1	388505732	OJEZHSKIPBHQMM-UHFFFAOYSA-N	294.395	1.274	10	20	CDCD	
COCC(C)(C)N(C)C(=O)/C=C/c1ccc(O)c(O)c1	294169566	RGGSAWDRZQAWTI-SOFGYWHQSA-N	279.336	1.994	10	20	CDCD	
COc1cc(CN2CC[C@H](CC(N)=O)C2)c(O)cc1C	808227897	PCJYJVWIYMMIOX-LLVKDONJSA-N	278.352	1.407	10	20	CDCD	
COC(=O)Cn1cc(CSc2nccs2)nn1	295643029	CFTYMMHSKVMPJL-UHFFFAOYSA-N	270.339	1.200	10	20	CDCD	
CCN(CCOC)C(=O)NCc1ccc(N(C)C)cc1	299151714	UCRUHHDURIYJCP-UHFFFAOYSA-N	279.384	1.931	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)c1cc(F)c[nH]1	815833750	BVEXSHFLVOFMGG-UHFFFAOYSA-N	264.256	1.538	10	20	CDCD	
Cc1nnsc1CNC(=O)/C=C\c1ccc(O)c(O)c1	817020223	HWENGJPMBRSXNM-HYXAFXHYSA-N	291.332	1.587	10	20	CDCD	
Nc1nccc(C(=O)NCc2ccccc2O)c1[N+](=O)[O-]	816912246	QMFGCMYASHTKMB-UHFFFAOYSA-N	288.263	1.208	10	20	CDCD	
CC[C@@H]1CN(C(=O)c2c(F)ccc(O)c2O)C[C@H]1O	827487542	WROHVYBBUOMEPZ-GMSGAONNSA-N	269.272	1.080	10	20	CDCD	
C[C@H]1CN(Cc2cc(Cl)ccc2O)CC(=O)N1	824910374	VAKJJSAOJZMBCW-QMMMGPOBSA-N	254.717	1.366	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)[C@@H]2C[C@@H]2N)cc1F	829039259	XIODPAGXLQQSSL-YPMHNXCESA-N	279.359	1.635	10	20	CDCD	
CCN(C(=O)/C=C/c1cnc(OC)nc1)c1cccnc1	492719609	XGTXBBMNMFDRGG-VOTSOKGWSA-N	284.319	1.947	10	20	CDCD	
C[C@@H](NC(=O)c1c(F)ccc(O)c1O)C(=O)OC(C)(C)C	825770327	KLXCLZQCTXWDSU-SSDOTTSWSA-N	299.298	1.697	10	20	CDCD	
COC[C@H]1COCCN1Cc1cc(C)cc(C)c1O	902564598	UMHDFFINPMUPBC-AWEZNQCLSA-N	265.353	1.856	10	20	CDCD	
COc1ccc(N(Cc2nnnn2C)CC2CC2)cc1	831588000	QIZPQHUARVGFGU-UHFFFAOYSA-N	273.340	1.635	10	20	CDCD	
CN(C)c1ccc(CNC2(CC(=O)O)CCOCC2)cc1	830639478	HRDMWQXCWLMEIT-UHFFFAOYSA-N	292.379	1.866	10	20	CDCD	
CCOC(=O)[C@H](CC)C(=O)NCc1ccccc1O	839613432	WLTTVGYQKMSWTH-LLVKDONJSA-N	265.309	1.598	10	20	CDCD	
Cc1nc(C(C)(C)NC(=O)c2cc(O)cs2)no1	839800998	XYSCAQYZDCJKAD-UHFFFAOYSA-N	267.310	1.810	10	20	CDCD	
O=C(CC[C@@H]1C[C@H](C(=O)O)CO1)NCc1ccccc1O	911327011	BUPKMFQQIMKPLX-NWDGAFQWSA-N	293.319	1.278	10	20	CDCD	
C[C@@H](C(=O)O)C(=O)NCc1ccc(N(C)C)c(F)c1	842585811	ICJHYDJDMKQHTE-MRVPVSSYSA-N	268.288	1.229	10	20	CDCD	
CN1CC[C@H](C(=O)NCc2c(O)ccc3c2CCCC3)C1	743719612	KYUCWHUHKJBQCH-ZDUSSCGKSA-N	288.391	1.839	10	20	CDCD	
COC[C@@H](C)NC(=O)NCc1cc(Cl)ccc1O	844279606	CSOUSDGASXNEQF-MRVPVSSYSA-N	272.732	1.880	10	20	CDCD	
c1cc(N2CCOCC2)ccc1CNC[C@H]1CCCCN1	841033197	PBJVCIDZBBLTJK-MRXNPFEDSA-N	289.423	1.755	10	20	CDCD	
C[C@H](CN)NCc1cccc(Br)c1O	841059603	HSHBCXJZZRQZED-SSDOTTSWSA-N	259.147	1.592	10	20	CDCD	
CCCS(=O)(=O)Cc1noc(Cc2ccc(N)cc2)n1	843218658	AUEXULZIOLCCLA-UHFFFAOYSA-N	295.364	1.567	10	20	CDCD	
CCCCOC(=O)COC(=O)/C=C/c1ccc(O)c(O)c1	759588942	PZOGFSYXWDZNEC-FNORWQNLSA-N	294.303	1.998	10	20	CDCD	
C[C@@H]1CN(C(=O)/C=C\c2ccc(O)c(O)c2)C[C@@]1(C)CO	856250326	IFFVNWHSALBKCY-OXIYKYQWSA-N	291.347	1.588	10	20	CDCD	
O=S(=O)(NCc1ccccc1O)c1ccccn1	758320000	MZQBBFDVDSITHV-UHFFFAOYSA-N	264.306	1.266	10	20	CDCD	
C[C@@H]1CN(Cc2cc3c(cc2O)OC[C@H]3O)CC(C)(C)O1	768441528	DBSYLOXVBRPXTE-QMTHXVAHSA-N	293.363	1.817	10	20	CDCD	
CCOC(=O)[C@](C)(O)CN[C@H](C)c1ccccc1O	879649273	MTSWDGCIUQFCIH-QMTHXVAHSA-N	267.325	1.357	10	20	CDCD	
CCN(C)C(=O)CNCc1cc(Cl)cc(F)c1O	776013244	MERQLOPLTOAVMO-UHFFFAOYSA-N	274.723	1.753	10	20	CDCD	
CC1=NO[C@H](CNC(=O)NCc2cc(C)ccc2O)C1	875956512	MELAJDLEDJQTES-LBPRGKRZSA-N	277.324	1.665	10	20	CDCD	
Cc1cccc(O)c1CNCC(C)(C)S(C)(=O)=O	877074641	CXPCIKOKOCDJON-UHFFFAOYSA-N	271.382	1.613	10	20	CDCD	
CCOC(=O)CC(=O)N[C@@H](C)c1ccc(N(C)C)cc1	775403585	PVEBYIWLDLGTHC-NSHDSACASA-N	278.352	1.883	10	20	CDCD	
Oc1c(F)cc(F)cc1CNCC1(N2CCOCC2)CC1	883104849	OIYTUASDDXACDP-UHFFFAOYSA-N	298.333	1.625	10	20	CDCD	
O=C(NCc1ccccc1O)N[C@@H]1CCn2ccnc2C1	777667839	KQPPPHDDXLBEPN-GFCCVEGCSA-N	286.335	1.403	10	20	CDCD	
COc1cc(O)c(CN[C@@H](CO)CC(C)C)cc1OC	776048602	PIMFOJPLEOTRML-GFCCVEGCSA-N	283.368	1.906	10	20	CDCD	
CCOC(=O)CN[C@H](C)c1ccc(N2CCOCC2)cc1	775256151	WNXHTNDLNLPIPV-CYBMUJFWSA-N	292.379	1.737	10	20	CDCD	
CCC(=O)NCc1cn(Cc2ccc(N(C)C)cc2)nn1	881272465	WEQMJUWMFDOUIC-UHFFFAOYSA-N	287.367	1.419	10	20	CDCD	
C[C@@H](NC[C@@H]1CCCNC1=O)c1c(O)cccc1F	886625775	ZSRMNIPJKYHRPY-ZJUUUORDSA-N	266.316	1.708	10	20	CDCD	
COc1ccc(CNCc2cc(C)no2)c(O)c1OC	893345811	XUUIUTDGPRETBK-UHFFFAOYSA-N	278.308	1.996	10	20	CDCD	
COc1cccc(CNC[C@H]2CC(C)=NO2)c1O	895312048	STSGCIRJFAGCKU-LLVKDONJSA-N	250.298	1.655	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NCC[C@@H](O)C1CC1	890719324	DSLGVDYKEDIZIM-RDNKVPPGSA-N	277.320	1.388	10	20	CDCD	
C[C@@H]1NC(=O)[C@H](C)N(Cc2cc(F)ccc2O)[C@@H]1C	895119098	VGVMPHMYJRUPAQ-AEJSXWLSSA-N	266.316	1.629	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N=S1(=O)CCOCC1	891365465	LMKCZFDUQGQGFZ-DUXPYHPUSA-N	297.332	1.136	10	20	CDCD	
C[C@H](NC(=O)N1C[C@@H]2C[C@H]1CN2)c1ccc(N(C)C)cc1	891813857	LWFYDGQRASFXKV-WHOFXGATSA-N	288.395	1.569	10	20	CDCD	
CCN1C[C@@H](C)N(C(=O)c2cccc(O)c2O)C[C@H]1C	790910798	BQLAHBMHUYSQHY-GHMZBOCLSA-N	278.352	1.653	10	20	CDCD	
CN1C(=O)C(=Cc2c(F)ccc(O)c2F)C(=O)N(C)C1=O	794926789	OGDATFQWPZURKJ-UHFFFAOYSA-N	296.229	1.104	10	20	CDCD	
C[C@@H](C(=O)N[C@H](C)Cc1ccc(O)c(O)c1)n1ccnc1	1320690103	DYLGZRCTISGXLS-MNOVXSKESA-N	289.335	1.603	10	20	CDCD	
COc1cccc([C@@H](C)NCc2nncn2C)c1O	1328727908	QAHZNXARWFYZQQ-SECBINFHSA-N	262.313	1.380	10	20	CDCD	
CCNS(=O)(=O)CCNCc1ccc(OC)c(C)c1	68981008	REDDMXKEESTFTR-UHFFFAOYSA-N	286.397	1.033	10	20	CDCD	
CC[C@@H](CO)NCc1ccc(N2CCN(C)CC2)c(F)c1	1343280778	RLISDNUYHTUASG-AWEZNQCLSA-N	295.402	1.438	10	20	CDCD	
O=C(O)c1cnc(SC[C@H]2CCS(=O)(=O)C2)s1	1602536974	JDBFCNDHPCNCHP-ZCFIWIBFSA-N	293.391	1.368	10	20	CDCD	
O=C(O)c1cnc(Sc2nccnc2F)s1	1602534894	MQNRSMWAOMMXLW-UHFFFAOYSA-N	257.271	1.922	10	20	CDCD	
O=C(O)[C@@H]1CSCCN(C(=O)c2cc(O)cs2)C1	1601855658	DSDYLPBXECBRMF-ZETCQYMHSA-N	287.362	1.344	10	20	CDCD	
COc1cccc(O)c1CN1CCSC[C@H](C(=O)O)C1	1599680369	NBWMIFDIJIEJSU-SNVBAGLBSA-N	297.376	1.650	10	20	CDCD	
COC(=O)CN(C)c1ccc(/C=C/C(=O)O)cc1[N+](=O)[O-]	1598859635	KUIYVFLHOJIPOL-GQCTYLIASA-N	294.263	1.302	10	20	CDCD	
CC[C@@H](CC(=O)O)NCc1ccc(N2CCOCC2)cc1	1776953119	WSSDMBJYBBWHFE-AWEZNQCLSA-N	292.379	1.866	10	20	CDCD	
CCCN(Cc1ccccc1O)C[C@@H]1CNC(=O)C1	851792069	KBFRFUSZNGZCGM-LBPRGKRZSA-N	262.353	1.740	10	20	CDCD	
C[C@H](N[C@@H]1CCOC[C@H]1O)c1ccc(F)cc1O	706773335	NCFHYKZFMMUPNS-RLCGTCKNSA-N	255.289	1.332	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@H](N)C2CCC2)cc1	399107930	JEJZSCMVHFJAQD-AWEZNQCLSA-N	261.369	1.496	10	20	CDCD	
CN1CCC(CCNCc2cc3c(cc2O)OCO3)CC1	105454252	WPFXYEMUJIWUNM-UHFFFAOYSA-N	292.379	1.942	10	20	CDCD	
CCOC(=O)CC(=O)NCc1c(O)ccc2c1CCCC2	178294278	LJIFOJJFTUERCG-UHFFFAOYSA-N	291.347	1.840	10	20	CDCD	
COc1ccc(N2CCN(C(=O)C3(O)CCC3)CC2)cc1	119038504	MCCHLSLGCPTCCK-UHFFFAOYSA-N	290.363	1.259	10	20	CDCD	
CCOc1cccc(CNC[C@H]2CN(C)CCN2C)c1O	68800169	FAGDUGHSUJFAEC-AWEZNQCLSA-N	293.411	1.126	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2C[C@@H](CO)OC[C@@H]2C)c1O	129270366	ZIQSRVGNASVLMZ-ZANVPECISA-N	297.326	1.316	10	20	CDCD	
COc1ccc(O)c(CN(C)C[C@H]2CCN(C(C)=O)C2)c1	180784122	OCTWPPASZMJLMP-CYBMUJFWSA-N	292.379	1.701	10	20	CDCD	
CC(C)N(C)S(=O)(=O)N(C)Cc1ccc(N(C)C)cc1	46865429	GXGNHAMISJAUDY-UHFFFAOYSA-N	299.440	1.769	10	20	CDCD	
CCNCCNC(=O)c1cc(C)n(-c2ccccn2)c1C	236984843	CNJRFELJHFKOJY-UHFFFAOYSA-N	286.379	1.828	10	20	CDCD	
CNCCCC(=O)NCc1ccc2c(c1)CCCN2C	237187297	GDUHAQOYOLLFGF-UHFFFAOYSA-N	275.396	1.685	10	20	CDCD	
CC[C@@H](O)CCN[C@@H](C)c1cc(C(=O)OC)ccc1O	273590539	PCCNTBPVNIQQIV-CMPLNLGQSA-N	281.352	1.990	10	20	CDCD	
CN(C(=O)c1c[nH]nc1-c1cccnc1)c1cnn(C)c1	541433514	FREZRUIDJWOSLC-UHFFFAOYSA-N	282.307	1.482	10	20	CDCD	
Cc1ccc(C(=O)NCC2([S@@](C)=O)CCC2)c(O)c1O	281716607	DVHWARAODHTTDT-HXUWFJFHSA-N	297.376	1.437	10	20	CDCD	
C[C@H](NCc1cncn1C)c1cc([N+](=O)[O-])ccc1O	289682758	HTUZJJIAKOUYGJ-VIFPVBQESA-N	276.296	1.885	10	20	CDCD	
CC(C)[C@@H](O)C(=O)NCc1ccc(N(C)C)cc1	285233043	YBGDSSMREVMLEO-CYBMUJFWSA-N	250.342	1.386	10	20	CDCD	
CCCN(Cc1cccc(C)c1O)[C@@H]1CC(=O)N(C)C1=O	283081968	RHZUZNGFJIABRE-CYBMUJFWSA-N	290.363	1.670	10	20	CDCD	
C[C@@H](NC(=O)NCCc1ccc(O)c(O)c1)C(F)(F)F	288703205	CYFWGHAWAOMHFU-SSDOTTSWSA-N	292.257	1.890	10	20	CDCD	
COc1cccc(CNC(=O)NC[C@@H](OC)C2CC2)c1O	297583968	UKAPLLJIMLTWPP-CYBMUJFWSA-N	294.351	1.625	10	20	CDCD	
COc1cc(C(=O)OCC(=O)C(C)=O)cc(OC)c1OC	808488766	OFPKLMCOPFRONF-UHFFFAOYSA-N	296.275	1.027	10	20	CDCD	
Cc1cc(CN(C[C@H](C)O)[C@@H](C)CO)ccc1N(C)C	294417007	DGJQNRKAFOSQGF-KBPBESRZSA-N	280.412	1.625	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)C1(C(=O)OC)CC1	808094725	YTXRJFSZMPTUKI-UHFFFAOYSA-N	298.335	1.447	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)N[C@@H]2CC[C@H]2O)c1	818358312	UHAFIMZKCSJFEK-XTWCZFFVSA-N	265.309	1.353	10	20	CDCD	
NC(=O)CC1(CNCc2cccc(Cl)c2O)CC1	817410806	HMBHXNMWKOUYIY-UHFFFAOYSA-N	268.744	1.791	10	20	CDCD	
Cc1noc([C@H](C)NC(=O)N(C)Cc2ccccc2O)n1	726278957	KKYPDSXMAGZVIY-VIFPVBQESA-N	290.323	1.986	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@H](C)C2(CO)CC2)c1O	826991271	YCSFYZLRZFUQEU-SECBINFHSA-N	296.323	1.560	10	20	CDCD	
CCN(C(=O)/C=C\c1cnc(OC)nc1)c1cccnc1	492719608	XGTXBBMNMFDRGG-SREVYHEPSA-N	284.319	1.947	10	20	CDCD	
COc1ccc(CN[C@@H]2CCOC[C@H]2C)c(O)c1	385316833	GPVVXLUGEHPUCD-ZWNOBZJWSA-N	251.326	1.915	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1[C@H]2CCC(=O)[C@H]21	906713693	FEBFJABRFQNTKL-CWRNSKLLSA-N	286.375	1.902	10	20	CDCD	
C[C@@H]1C(=O)CCCN1C(=O)c1c(F)ccc(O)c1O	900711416	IBCXHGHUZDZGCZ-SSDOTTSWSA-N	267.256	1.431	10	20	CDCD	
CCO[C@H]1C[C@@H](NC(=O)c2c(F)ccc(O)c2O)C1	839799860	PUBNOMDCDJBYOK-OCAPTIKFSA-N	269.272	1.534	10	20	CDCD	
CCOc1ccccc1NC[C@@H](O)C[C@]1(O)CCOC1	905294708	JOEDHXWQDWXWKW-SWLSCSKDSA-N	281.352	1.400	10	20	CDCD	
CC[C@@H](O)[C@H](C)C(=O)N(C)Cc1ccccc1O	901053776	RTTLCRKACYFMAI-CMPLNLGQSA-N	251.326	1.758	10	20	CDCD	
CCN(CC(=O)O)Cc1ccc(N(C)C)cc1C	901426974	WBRSOCJLKQRUQK-UHFFFAOYSA-N	250.342	1.968	10	20	CDCD	
O=C(COC(=O)c1cc(O)cs1)NCc1cccs1	731909260	FAFLXXIHFHLHFQ-UHFFFAOYSA-N	297.357	1.988	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N[C@H]2C[C@H](CO)C2)cc1F	915365526	GXXXRUYKSNODJO-HAQNSBGRSA-N	295.358	1.462	10	20	CDCD	
COc1ccc(CNC(=O)[C@@H]2CC[C@@H]2C(=O)O)c(O)c1	911718652	OWDFMLMYBDYQNW-MNOVXSKESA-N	279.292	1.128	10	20	CDCD	
CC[C@@H](C(=O)NCc1ccc(O)cc1O)N(CC)CC	910950034	AQGCWMQHSGSMLA-ZDUSSCGKSA-N	280.368	1.834	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNCc1ccc(C(N)=O)nc1	840937449	JYHSXNUEQBTRTG-UHFFFAOYSA-N	298.390	1.845	10	20	CDCD	
CN(C)c1ccc(CNC(=O)C(C)(C)CO)cc1F	847405535	NBRHVENYBYAAQZ-UHFFFAOYSA-N	268.332	1.526	10	20	CDCD	
CCNC(=O)NC(=O)CSc1ncc(Cl)s1	849997881	FQCIRIMRWILYRU-UHFFFAOYSA-N	279.774	1.734	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)C1(F)CCCC1	910948180	WIGVTWNJSLIYEL-UHFFFAOYSA-N	253.273	1.996	10	20	CDCD	
C[C@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccc(N)cc1	841028270	ADLCWTRAJIRCEQ-JOYOIKCWSA-N	261.325	1.512	10	20	CDCD	
CCOc1ccc(CN2CCCNCC2)c(O)c1	843047399	NQWUUMCPZFCRSA-UHFFFAOYSA-N	250.342	1.586	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2CC[C@H](N)C[C@H]2C)c1O	846702190	GGRBYYJHYJWBIK-KOLCDFICSA-N	295.339	1.621	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@H](C)C[C@H](C)N)c1O	843129942	VBENRVGXXFJTRZ-DTWKUNHWSA-N	283.328	1.524	10	20	CDCD	
C[C@H](NC(=O)NCCC(=O)O)c1ccc(N(C)C)cc1	840989214	VDOAUWLWOSKRDE-JTQLQIEISA-N	279.340	1.588	10	20	CDCD	
COCCCN(CCO)Cc1ccc(N(C)C)cc1C	840939666	OXPQDDPEWSMTMA-UHFFFAOYSA-N	280.412	1.892	10	20	CDCD	
COCCN1CC[C@@H](NCc2ccc3c(c2)CCCO3)C1	921710092	ITJNTLZIKFDQKF-MRXNPFEDSA-N	290.407	1.822	10	20	CDCD	
CCCC[C@@H](CC)CNC=C1C(=O)N(C)C(=O)N(C)C1=O	920976234	KWRMSIZUORKXRP-LLVKDONJSA-N	295.383	1.727	10	20	CDCD	
CCCN1CC[C@H](NCc2cc([N+](=O)[O-])ccc2O)C1	850394824	FKIVMNOZMHERAN-LBPRGKRZSA-N	279.340	1.874	10	20	CDCD	
Nc1ccc(NC(=O)[C@@H]2CC(=O)N[C@H]3CCCC[C@@H]32)cc1	851633610	OSMZFFGHBJAZFC-MCIONIFRSA-N	287.363	1.902	10	20	CDCD	
COc1cc(O)c(CN2Cc3cnn(C)c3C2)cc1OC	877632609	HGYQTPGIZFWGJA-UHFFFAOYSA-N	289.335	1.659	10	20	CDCD	
COc1ccc(N(C)CC(=O)N=S(C)(C)=O)cc1F	878187201	SMEFHSSXCLQTIT-UHFFFAOYSA-N	288.344	1.525	10	20	CDCD	
Cc1ccc(CNCCCc2cnn(C)n2)c(O)c1	877551436	ZNTVVBRIYPIUEY-UHFFFAOYSA-N	260.341	1.552	10	20	CDCD	
C[C@H](NC(=O)C(=O)NCC(F)F)c1ccc(N(C)C)cc1	768215216	AMUUOVKRAHIFOF-VIFPVBQESA-N	299.321	1.311	10	20	CDCD	
COc1ccc(CNC(=O)NCc2conc2C)c(O)c1	875952497	ULKWNDATULKJIT-UHFFFAOYSA-N	291.307	1.697	10	20	CDCD	
Cc1cccc(O)c1CN1CCN(C(=O)N(C)C)CC1	876575593	LHCVOSHHGJQXSL-UHFFFAOYSA-N	277.368	1.500	10	20	CDCD	
COC[C@H]1C[C@@H](O)CN1Cc1ccc(C)cc1O	877612265	GJLNJRMFMONXEI-CHWSQXEVSA-N	251.326	1.282	10	20	CDCD	
O=C(CC[C@H]1CCOC1)NCc1cccc(O)c1O	1123887406	BYEYICXATBMQQM-JTQLQIEISA-N	265.309	1.531	10	20	CDCD	
CNC(=O)CC1CCN(C(=O)c2cccc(O)c2O)CC1	776349029	UJSWKKGLCADKGJ-UHFFFAOYSA-N	292.335	1.086	10	20	CDCD	
Cc1cc(Cn2cc([C@H](C)N)nn2)ccc1N(C)C	881377480	OGZKPDLYKLOBPB-NSHDSACASA-N	259.357	1.721	10	20	CDCD	
CN(Cc1cc(F)cc(F)c1O)[C@@]1(CO)CCOC1	895385449	CFBXSTOTTRZDIU-CYBMUJFWSA-N	273.279	1.254	10	20	CDCD	
CN(C)c1ccc(CN[C@@H]2C(=O)NCC2(C)C)cc1	895316382	IFFRDAJPIBPUEU-CYBMUJFWSA-N	261.369	1.367	10	20	CDCD	
COC(=O)[C@@H]1CC[C@H](NCc2cc(OC)ccc2O)C1	792203736	UJAYPEGYFODEDM-PWSUYJOCSA-N	279.336	1.832	10	20	CDCD	
COC[C@@H](C)N1CCN(c2ccc(OC)cc2)CC1	75594752	VWORAGPKVPBEOC-CYBMUJFWSA-N	264.369	1.852	10	20	CDCD	
CCOc1ccc(N2CCN(C(=O)C(F)F)CC2)cc1	1324826854	BFJWFKUNLVYYPP-UHFFFAOYSA-N	284.306	1.999	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@H]1CC[C@H](N)CC1	711008359	UCLVEPOFKMGVAZ-AULYBMBSSA-N	262.353	1.868	10	20	CDCD	
O=C(N[C@@H]1CCCC12OCCO2)c1cccc(O)c1O	716058373	RIONRJQHEMKMBJ-LLVKDONJSA-N	279.292	1.123	10	20	CDCD	
CN1CCCc2cc(CNC(=O)[C@@H]3NC[C@@H]4C[C@@H]43)ccc21	1330085452	NTZAGRZYRSRBRS-OFQRWUPVSA-N	285.391	1.293	10	20	CDCD	
COC[C@H](CNCc1c(O)cccc1OC)OC	781414763	BRVXFQFYDIZUME-JTQLQIEISA-N	255.314	1.152	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@@H]2C[C@H]2C1	1333365899	UQOBGBNHPJXGHM-YPMHNXCESA-N	288.347	1.219	10	20	CDCD	
Cc1nc([C@H](C)NC(=O)c2cccc(O)c2O)no1	1344117443	YIZAXQIXKUJDSC-LURJTMIESA-N	263.253	1.280	10	20	CDCD	
CC(C)(CN1CCOCC1)C(=O)NCc1ccc(N)cc1	1356228072	NSRCJCCZDKKDAE-UHFFFAOYSA-N	291.395	1.243	10	20	CDCD	
C[C@H](C(=O)NCc1ccc(N)cc1)c1cnn(C)c1	1524009948	YSLJVJQAFQLNMR-JTQLQIEISA-N	258.325	1.422	10	20	CDCD	
Cc1ccc(O)c(CN[C@]2(CC(=O)O)CCOC2)c1	1600465031	OIKWVUZMKISNPG-AWEZNQCLSA-N	265.309	1.424	10	20	CDCD	
O=C(O)/C=C/c1ccc(N2CC(CCO)C2)c([N+](=O)[O-])c1	1601881110	NUQFIOOALCFFTR-DUXPYHPUSA-N	292.291	1.511	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)N[C@@H](C)CC(=O)O)c1	1605296868	QXXOZDJWYMIJON-VIFPVBQESA-N	266.297	1.363	10	20	CDCD	
COc1cc(C)cc(CN[C@H]2CNCC2(C)C)c1O	1579144256	ALOZFYBZIFIAAK-ZDUSSCGKSA-N	264.369	1.797	10	20	CDCD	
O=C(Cc1ccccc1O)NCCc1ccc(O)c(O)c1	154007642	LCAVRADCEFLEMS-UHFFFAOYSA-N	287.315	1.705	10	20	CDCD	
O=S1(=O)CCC[C@H](CNCc2ccccc2O)C1	808427606	YHOASCSWQVEVMA-LLVKDONJSA-N	269.366	1.307	10	20	CDCD	
COc1cccc(O)c1CN1CC[C@H]([C@@H](C)N)C1	843058453	SMLPCBGVLFIBFW-MNOVXSKESA-N	250.342	1.570	10	20	CDCD	
CC[C@H](C)NC(=O)CCNC(=O)c1cccc(O)c1O	126361052	PXBJOSCWABZZAF-VIFPVBQESA-N	280.324	1.132	10	20	CDCD	
CC[C@@H]1CN(C(=O)Cc2ccc(N)cc2)C[C@@H](C)O1	236952680	RUWNILMATBCMOL-BXUZGUMPSA-N	262.353	1.837	10	20	CDCD	
Cc1cccc(CNCC2(O)CCN(C)CC2)c1O	271836065	PUNYZBWJWYVRLX-UHFFFAOYSA-N	264.369	1.247	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC2CCS(=O)CC2)c1	158010553	PCRDIPZNCDFNHF-OZMOWAPCSA-N	283.393	1.963	10	20	CDCD	
CCOc1cccc(CNC[C@@]2(O)CCOC2)c1O	179023422	JNYAJMKUSVLNNW-AWEZNQCLSA-N	267.325	1.032	10	20	CDCD	
COc1cc(O)c(CN(CC(N)=O)C(C)C)cc1OC	179579542	PSYPAHMWUICQOS-UHFFFAOYSA-N	282.340	1.105	10	20	CDCD	
Oc1ccccc1CN1CCC[C@H](Cn2ccnn2)C1	179587163	ZITZRDPUQJQMFL-ZDUSSCGKSA-N	272.352	1.896	10	20	CDCD	
Cc1c(C(=O)NCc2ccc(N(C)C)c(F)c2)cnn1C	123464010	XPJXBPYWBGPMRI-UHFFFAOYSA-N	290.342	1.864	10	20	CDCD	
CCN(CCOCCO)Cc1cc(F)cc(C(C)=O)c1O	313963681	CBJQMBNNWOLHJN-UHFFFAOYSA-N	299.342	1.565	10	20	CDCD	
COC(=O)C[C@H](C)C(=O)NCc1ccc(N(C)C)cc1	121379580	PNZBRLRLHKENBS-NSHDSACASA-N	278.352	1.568	10	20	CDCD	
O=C(NC[C@H]1CSCCS1)c1cccc(O)c1O	126552541	UAJVHLQAPNFGJG-QMMMGPOBSA-N	285.390	1.676	10	20	CDCD	
C[C@@H](NCC1(C)OCCO1)c1ccc(F)cc1O	186211657	MPQSCVINYUQEGD-SECBINFHSA-N	255.289	1.945	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CCn1ccnc1	70897662	SQHRAHBSMCVXEA-UHFFFAOYSA-N	286.379	1.998	10	20	CDCD	
COC(=O)CNC(=O)c1cc(C)n(-c2ccccc2)c1C	41780444	IPRXALIHLJIKLN-UHFFFAOYSA-N	286.331	1.997	10	20	CDCD	
O=C(N[C@@H]1CCO[C@H](C2CC2)C1)c1cccc(O)c1O	193164465	GKFLKORRCNLQEN-MFKMUULPSA-N	277.320	1.785	10	20	CDCD	
O=C(Cn1cccn1)NCc1ccc(N2CCCC2)cc1	193196419	MNBPSSPUEDLAFO-UHFFFAOYSA-N	284.363	1.800	10	20	CDCD	
CN(C)c1ccc(CNC(=O)Cc2ccc(N)cn2)cc1	229613430	JPUGRCVSNPPRII-UHFFFAOYSA-N	284.363	1.589	10	20	CDCD	
CN(CCN1CCOCC1)Cc1cccc(Cl)c1O	180023768	BBAUMXBXLTUGJE-UHFFFAOYSA-N	284.787	1.810	10	20	CDCD	
CN1CCC[C@@H](CN(C)Cc2cc3c(cc2O)OCO3)C1	92253866	HMGHMABGFJSLLC-GFCCVEGCSA-N	292.379	1.895	10	20	CDCD	
Cc1ccc(C(=O)NC[C@@H](C)CCO)c(O)c1O	272744261	MQRRPPWIZVVADM-QMMMGPOBSA-N	253.298	1.155	10	20	CDCD	
C[C@@H](NC(=O)CC(C)(C)C)C(=O)NCc1ccccc1O	275168795	RXJMZOKRTOFARV-LLVKDONJSA-N	292.379	1.949	10	20	CDCD	
CC(=O)C(=O)CSc1nnnn1C1CCCCC1	289660538	OMJPTCNBNJBQIN-UHFFFAOYSA-N	268.342	1.429	10	20	CDCD	
CCOc1ccc(O)c(CN2CC(=O)N(C3CC3)C2)c1	280505676	PVRBUHVRGBEWKH-UHFFFAOYSA-N	276.336	1.555	10	20	CDCD	
CN(C)c1ccc(CNCC(C)(C)OCCO)cc1F	288326839	AGNLLTMVPVJOII-UHFFFAOYSA-N	284.375	1.769	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)C(=O)NC)cc1F	285249237	OHNISAMTABPAJT-UHFFFAOYSA-N	281.331	1.034	10	20	CDCD	
Cc1cccc(CN2C[C@@H](CO)OC(C)(C)C2)c1O	817412191	GEHCBXDNPOXMGL-ZDUSSCGKSA-N	265.353	1.672	10	20	CDCD	
COC[C@](C)(NCc1ccc(N(C)C)c(C)c1)C(=O)OC	815081319	ZEECVFWOBVFWGU-INIZCTEOSA-N	294.395	1.729	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC[C@@H]2CNCCO2)c1	817983587	OMOJXNAITSHTFS-JQWIXIFHSA-N	266.341	1.040	10	20	CDCD	
C[C@H](C[C@@H]1COCCN1)NCCc1ccc(N)cc1	817958248	UVWWUYAWMSYKMN-IUODEOHRSA-N	263.385	1.168	10	20	CDCD	
C[C@@]1(CNC(=O)c2c(F)ccc(O)c2O)CCOC1	825822875	OKCSAPFNYBKCIC-ZDUSSCGKSA-N	269.272	1.393	10	20	CDCD	
C[C@H]1C[C@@H](NC(=O)NCc2ccc(N(C)C)c(F)c2)CO1	826020043	ORFNMYWJYRFYHS-CMPLNLGQSA-N	295.358	1.868	10	20	CDCD	
C[C@@]1(C(=O)NCc2ccc(N3CCCC3)cc2)CCNC1	827005571	VTIBTWMCECBJTJ-QGZVFWFLSA-N	287.407	1.903	10	20	CDCD	
C[C@@H](NC(=O)/C=C1\SCC(=O)N1C)c1ccccc1O	827952223	KGQKFLGHYTWHNZ-UGHKADQRSA-N	292.360	1.616	10	20	CDCD	
O=C(Nc1ccc(-n2cncn2)nc1)c1cc(O)cs1	732267538	JVJVJOQFFISANX-UHFFFAOYSA-N	287.304	1.682	10	20	CDCD	
NC(=O)c1ccc(CNC(=O)NCc2ccccc2O)cc1	748460766	QLFMIUJGMXVNMU-UHFFFAOYSA-N	299.330	1.491	10	20	CDCD	
CCCNCCNCc1ccc(OCC)cc1O	841047267	YNJBSUNBMZFITP-UHFFFAOYSA-N	252.358	1.880	10	20	CDCD	
COc1ccc(O)c(CNC[C@H](C(=O)O)C(C)C)c1	848639746	KRWJHHPWRTXABX-LBPRGKRZSA-N	267.325	1.847	10	20	CDCD	
COC/C(C)=C\C(=O)NCCc1ccc(O)c(O)c1	845833578	LUOLPGFKKNGBNC-YFHOEESVSA-N	265.309	1.349	10	20	CDCD	
CNCCCN(C)Cc1cc2c(cc1O)OCO2	841102873	APRZKRADOKJNDA-UHFFFAOYSA-N	252.314	1.162	10	20	CDCD	
COC(C)(C)CN(C)C(=O)NCCc1ccc(N)cc1	841960403	OWIDOQAKRGHQSG-UHFFFAOYSA-N	279.384	1.878	10	20	CDCD	
COc1cccc(O)c1CNCc1nnn(C(C)(C)C)n1	848565826	SWLNNKGXIKTTHW-UHFFFAOYSA-N	291.355	1.432	10	20	CDCD	
CC[C@@H](N)CNC1CCN(c2ccc(OC)cc2)CC1	841071670	HZYBWEOGOTUFAS-CYBMUJFWSA-N	277.412	1.991	10	20	CDCD	
Cc1cc(CC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)on1	845932258	ZBWGIHQVVFJLOE-SECBINFHSA-N	290.319	1.684	10	20	CDCD	
CC(C)Cn1ccc(C(=O)NCc2ccc(O)cc2O)n1	910958332	ZPRRHMOFKRZJHP-UHFFFAOYSA-N	289.335	1.880	10	20	CDCD	
Nc1ccc(CCNC(=O)[C@H](O)C2CCCCC2)cc1	843343558	ZFPGGOXNIFZLLS-OAHLLOKOSA-N	276.380	1.869	10	20	CDCD	
CCc1cccc(CN(CC(=O)OC)CC(=O)OC)c1O	848881872	IXTJYTPZVPKDFU-UHFFFAOYSA-N	295.335	1.103	10	20	CDCD	
C[C@@H]1NCCC[C@@H]1NC[C@@H](N)c1ccc(N(C)C)cc1	925690376	JIXJTURINNOYEM-MAZHCROVSA-N	276.428	1.483	10	20	CDCD	
CCCNC(=O)CCN[C@H](C)c1cc([N+](=O)[O-])ccc1O	756462495	XDEQNRWYEFYMSX-SNVBAGLBSA-N	295.339	1.867	10	20	CDCD	
CCO[C@@H]1COCC[C@H]1NCc1cc([N+](=O)[O-])ccc1O	759173906	RCVNRQWUXDPKBU-TZMCWYRMSA-N	296.323	1.584	10	20	CDCD	
CC[C@@H](NC)C(=O)NCc1ccc(OC)cc1O	852824956	DJLXVNXSZITNCL-LLVKDONJSA-N	252.314	1.015	10	20	CDCD	
CC[C@H](N[C@@H](C)C(=O)N(C)OC)c1ccccc1O	858580381	ZCDRWAXVIUNTAT-JQWIXIFHSA-N	266.341	1.841	10	20	CDCD	
CN(C)CCN(C)CCCNCc1ccc2c(c1)CCO2	857784368	YDDLBCQFTUDZBH-UHFFFAOYSA-N	291.439	1.595	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2nc(C3CC3)no2)c1	865937720	YQUVJENXVOMPBJ-UHFFFAOYSA-N	289.291	1.591	10	20	CDCD	
Cc1cccc(O)c1CNCCNc1cnccn1	877086377	XIHYDSIRRDLJPY-UHFFFAOYSA-N	258.325	1.692	10	20	CDCD	
CN(C(=O)[C@@H]1C[C@@]12CCCNC2)c1ccc(N)cc1	877074430	KHNSPTHLGYDHNJ-DZGCQCFKSA-N	259.353	1.621	10	20	CDCD	
C[C@H](NC(=O)NCCCO)c1ccc(N(C)C)cc1	776242996	BOGBCLSDYONZEF-NSHDSACASA-N	265.357	1.495	10	20	CDCD	
Cc1ncc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c(N)n1	776269629	MCFUYHBAINKRLM-SNVBAGLBSA-N	299.378	1.924	10	20	CDCD	
CC(=O)NC[C@H]1CCCN(Cc2ccc(N)cc2)C1	1120263116	KIABHKBNXDPBMQ-CQSZACIVSA-N	261.369	1.617	10	20	CDCD	
COc1ccc(O)c([C@H](C)N[C@@H](CO)C[C@H]2CCCO2)c1	886670458	PQJUZNTZMGSTCX-OUCADQQQSA-N	295.379	1.981	10	20	CDCD	
CCOc1ccc(CN2CC[C@H](C)[C@H]2CO)c(O)c1	785985295	UMKCOFSLEHVOLA-SMDDNHRTSA-N	265.353	1.994	10	20	CDCD	
COc1ccc(O)c(CN2CCC[C@@H]([C@@H](C)O)C2)c1	780893768	ZWEJMAOHVJPHPI-VXGBXAGGSA-N	265.353	1.994	10	20	CDCD	
COc1cccc(CNC(=O)[C@@H]2CCN2C(C)(C)C)c1O	896115641	HMDQTDXGEPKJRF-LBPRGKRZSA-N	292.379	1.890	10	20	CDCD	
CO[C@H](C)[C@H](C)NCc1ccc(N2CCN(C)CC2)cc1	786165599	ATWSXHJFCKVLAG-LSDHHAIUSA-N	291.439	1.951	10	20	CDCD	
C[C@H](N)[C@H]1CN(Cc2ccc(N(C)C)cc2)CCO1	132585772	SPJOQADTPRTVCZ-SWLSCSKDSA-N	263.385	1.301	10	20	CDCD	
COc1cc(C)cc(CNC[C@H](O)C(F)(F)F)c1O	894201147	WTLUXYSYOIOPDO-JTQLQIEISA-N	279.258	1.722	10	20	CDCD	
NC(=O)[C@@H](NC(=O)c1cccc(O)c1O)c1ccccc1	790489176	CCKBRLFGNUHJTH-LBPRGKRZSA-N	286.287	1.054	10	20	CDCD	
CCOC(=O)[C@H]1CCCN(C(=O)Cc2ccc(N)cc2)C1	40222729	KXOBSEJMCMTSHH-ZDUSSCGKSA-N	290.363	1.613	10	20	CDCD	
C[C@@H]1CS(=O)(=O)C[C@@H]1NCc1cc(F)ccc1O	711674949	NVYDONITMMQPHF-KCJUWKMLSA-N	273.329	1.054	10	20	CDCD	
C[C@H](O)[C@@H]1CCCN(C(=O)c2cccc(O)c2O)C1	688865415	XOGTVUVSXPHYLC-VHSXEESVSA-N	265.309	1.331	10	20	CDCD	
O=C(O)[C@H](CO)NCc1ccc(N2CCCCC2)cc1	1332000497	YZFZVGPDBUSYJP-AWEZNQCLSA-N	278.352	1.212	10	20	CDCD	
C[C@](CO)(CNCc1ccc2c(c1)CCO2)CC(=O)O	1333185828	SXVWZYWPWWJKIV-OAHLLOKOSA-N	279.336	1.184	10	20	CDCD	
CNC[C@H]1CCCN1C(=O)NCc1ccc(N)cc1	1346739995	WROSMNDOYUOTGR-CYBMUJFWSA-N	262.357	1.162	10	20	CDCD	
Nc1ccc(CN2CCC[C@H]([C@@H]3C[C@@H](N)CCO3)C2)cc1	1356083494	PQNNCRMOWUMCDL-XIRDDKMYSA-N	289.423	1.987	10	20	CDCD	
O=C(O)c1cnc(NCc2c(O)cccc2F)nc1	1602533252	CXIOBAAIFMWUMP-UHFFFAOYSA-N	263.228	1.632	10	20	CDCD	
CN(C)c1ccc(CNc2cnc(C(=O)O)cn2)cc1F	1606056059	WAZPLNBQDLIOGP-UHFFFAOYSA-N	290.298	1.992	10	20	CDCD	
Cc1ccccc1[C@@H](N)C(=O)NCc1cc(O)ccc1O	1579794199	UOCWRLJIHOUJLE-OAHLLOKOSA-N	286.331	1.722	10	20	CDCD	
COc1ccc(CN(CC(=O)O)C2CC2)c(O)c1OC	1599559188	YYTSFDBPDIBVDW-UHFFFAOYSA-N	281.308	1.458	10	20	CDCD	
C[C@@H](N[C@@H](CO)CCF)c1cc(C(=O)O)ccc1O	1593209509	MLSJYPGZFDEGIV-PSASIEDQSA-N	271.288	1.462	10	20	CDCD	
COc1ccc(O)c([C@H](C)NS(=O)(=O)c2c[nH]cn2)c1	161194161	IJGJXDFWVLAYQO-QMMMGPOBSA-N	297.336	1.163	10	20	CDCD	
COc1cccc(O)c1CN1C[C@H](C)N[C@@H](C)C1	843049160	GZHYWHFLGXZGQM-QWRGUYRKSA-N	250.342	1.583	10	20	CDCD	
CC[C@@H]1CN(C(=O)Cc2ccc(N)cc2)CC[C@@H]1N	834646325	CLIBLNRAESCSNU-OCCSQVGLSA-N	261.369	1.397	10	20	CDCD	
Nc1ccc(CC(=O)N[C@H]2CCN3CCCC[C@@H]23)cc1	217806259	OKOZGXCUJNMHTE-GJZGRUSLSA-N	273.380	1.554	10	20	CDCD	
CC(C)C[C@@H](N)C(=O)NCc1ccc(N(C)C)cc1	40825814	GZQBENCRHLQLMF-CQSZACIVSA-N	263.385	1.742	10	20	CDCD	
O=C(NCc1ccccc1O)c1ccc2nn[nH]c2c1	701121211	DJFDIZKNAVXXLA-UHFFFAOYSA-N	268.276	1.594	10	20	CDCD	
COc1ccc(O)c([C@H](C)NCc2cn(C)nn2)c1	389833165	JYGMQFYLJYKAKB-VIFPVBQESA-N	262.313	1.380	10	20	CDCD	
CO[C@@H](C)C(=O)NCc1ccc(N2CCOCC2)c(F)c1	55529368	LCJQQGGJEYXUEB-NSHDSACASA-N	296.342	1.313	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2c(C)noc2C)c1	114543807	LEGDPRWBWUOCCP-UHFFFAOYSA-N	276.292	1.936	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@H]1CO	304264011	UQHKRUGSTNQLBN-HNNXBMFYSA-N	291.395	1.727	10	20	CDCD	
CCCN(CC(=O)NC)Cc1cc(F)ccc1O	179970428	NNVHTTJMSASAFP-UHFFFAOYSA-N	254.305	1.489	10	20	CDCD	
O=C(NC[C@@H]1CCCS1)c1cccc(O)c1O	126489416	YHNBLCOWLWSPNZ-QMMMGPOBSA-N	253.323	1.723	10	20	CDCD	
COCC[C@@H](CO)N[C@@H](C)c1ccc(F)cc1O	305976326	ZUQSZAVGEIMCTM-ONGXEEELSA-N	257.305	1.579	10	20	CDCD	
C[C@H](O)C(=O)NCc1ccc(N2CCSCC2)cc1	305691338	BTEKVFJPSJAFGX-NSHDSACASA-N	280.393	1.237	10	20	CDCD	
COCC(=O)N1CCN(Cc2cc(Cl)ccc2O)CC1	128688337	SVBVIVTVUCARDF-UHFFFAOYSA-N	298.770	1.336	10	20	CDCD	
COc1cc(Cl)cc(CN(C)C[C@H](C)N)c1O	379750550	KWQWSQGVDRSGOX-QMMMGPOBSA-N	258.749	1.833	10	20	CDCD	
CCc1nnc(C)cc1C(=O)NCCc1ccc(N)cc1	229151578	WNCHTFDKRWSUBO-UHFFFAOYSA-N	284.363	1.902	10	20	CDCD	
Nc1ccc(CC(=O)NC[C@@H]2CCCS2)cc1	149447735	GANSWLVLJCHABX-LBPRGKRZSA-N	250.367	1.823	10	20	CDCD	
CCOc1ccc(O)c(CNC[C@]2(O)CCOC2)c1	269998596	QWEITKLCVWTUEX-CQSZACIVSA-N	267.325	1.032	10	20	CDCD	
Nc1ccc(CC(=O)N2CCC[C@@H](c3ncc[nH]3)C2)cc1	269263411	XCHNOUMFBTUULY-CYBMUJFWSA-N	284.363	1.941	10	20	CDCD	
CN(C)c1ccc(CN(CCOCCO)C2CC2)cc1	265808734	JDDDCZFSXNWPNN-UHFFFAOYSA-N	278.396	1.726	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@H]2C[C@@H](O)C2(C)C)c1	275269841	BRHQNTHXZWWNDF-QCZZGDTMSA-N	293.363	1.989	10	20	CDCD	
CC(=O)C1(C(=O)NCc2ccc(N(C)C)c(F)c2)CC1	292856921	AJFBTPBOFJEBHF-UHFFFAOYSA-N	278.327	1.877	10	20	CDCD	
COC(=O)C(C)(C)CCNC(=O)c1cc(O)cs1	807670326	DCATXCCYZFVONR-UHFFFAOYSA-N	271.338	1.773	10	20	CDCD	
C[C@@H](CC(=O)NCc1ccccc1O)n1cccn1	819397577	KIXCJOFOEMIYBP-NSHDSACASA-N	259.309	1.856	10	20	CDCD	
CC[C@@H](N[C@@H]1COCC[C@H]1O)c1ccccc1O	710878897	OFBVVFMKTFNWAU-YRGRVCCFSA-N	251.326	1.583	10	20	CDCD	
c1cc2c(cc1CN[C@H](C1CC1)[C@H]1CNCCO1)CCO2	817902197	KPTJMUFZTKORBK-IAGOWNOFSA-N	288.391	1.478	10	20	CDCD	
COC[C@@H](C)[C@H](C)C(=O)NCc1cccc(OC)c1O	812496050	XBHFPBNABZZYOJ-MNOVXSKESA-N	281.352	1.936	10	20	CDCD	
COc1ccc(CNC(=O)N[C@H]2CO[C@@H](C)C2)c(O)c1	827617971	MOPNLSPKIQJKSG-GXSJLCMTSA-N	280.324	1.377	10	20	CDCD	
O=C(NCc1cc(Cl)ccc1O)[C@H]1C[C@@H](O)C1	824213578	RIJUTBJZXVQONO-WKFQBHICSA-N	255.701	1.433	10	20	CDCD	
CCCCN(C)CCNC(=O)c1c(F)ccc(O)c1O	825813450	FJXMFMITSZXKQZ-UHFFFAOYSA-N	284.331	1.699	10	20	CDCD	
CC[C@H](CO)N(C)Cc1ccc(N2CCOCC2)cc1	824533691	KLWZQYKXIYLBDB-OAHLLOKOSA-N	278.396	1.726	10	20	CDCD	
Cc1ccc(C(=O)N2CCC[C@@H](CC(=O)O)C2)c(O)c1O	821064064	OATCARBBARTDAN-JTQLQIEISA-N	293.319	1.733	10	20	CDCD	
O=C(/C=C\c1ccc[nH]1)NCCc1ccc(O)c(O)c1	588549201	BGPIFZUYPYCAJK-XQRVVYSFSA-N	272.304	1.798	10	20	CDCD	
NCCCC(=O)NCc1c(O)ccc2c1CCCC2	830597618	QSTWIEZXQNAGQO-UHFFFAOYSA-N	262.353	1.626	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)NCC[S@@](C)=O	735103619	NYRSZWOIAFAGNL-HXUWFJFHSA-N	297.424	1.273	10	20	CDCD	
Cc1cccc(C(=O)NC[C@H](N)c2ccc(N(C)C)cc2)n1	832292940	NQPHFUYTUNTSDM-HNNXBMFYSA-N	298.390	1.886	10	20	CDCD	
C[C@H](NC(=O)N(C)CCCN)c1ccc(N(C)C)cc1	841881621	AKZWCBLUTYRCBM-LBPRGKRZSA-N	278.400	1.804	10	20	CDCD	
CCn1ccc(C(=O)NCc2cccc(OC)c2O)n1	843833061	OTVZSYGLKDBBGJ-UHFFFAOYSA-N	275.308	1.547	10	20	CDCD	
CCCC[C@@H](CN)NC(=O)NCc1cccc(OC)c1O	841959233	OKXUQUKVONRIBG-LBPRGKRZSA-N	295.383	1.718	10	20	CDCD	
COCC[C@H](C)CNC(=O)NCc1cc(OC)ccc1O	840297579	JOVRJCMWBKXKDL-NSHDSACASA-N	296.367	1.873	10	20	CDCD	
CC[C@H](C)C[C@@H](CO)NC(=O)c1cc(O)cs1	844150171	XKJXIRHVAQJKAO-IUCAKERBSA-N	257.355	1.981	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1CCN2CCOC[C@H]2C1	840938415	DSGCYNXWVKWLAZ-QGZVFWFLSA-N	289.423	1.577	10	20	CDCD	
NC1(CNCc2ccc(N3CCOCC3)c(F)c2)CCC1	841051046	MZQSHLUHUKSIIE-UHFFFAOYSA-N	293.386	1.633	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)N[C@H]1CC[C@H](CN)C1	842010852	OTLAGWOVUJXZCW-AAEUAGOBSA-N	277.368	1.661	10	20	CDCD	
Cc1ccc([C@H](C)NCCN2CC[C@H](O)C2)c(O)c1	858602427	ZBQVFSRYWWYXPX-STQMWFEESA-N	264.369	1.418	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2ncnn2C)c1	853801642	FVGQFNBDVIKLAB-MRVPVSSYSA-N	276.296	1.020	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)NCc2cc[nH]n2)c1	756555046	RKZHUETUDYQMAO-VIFPVBQESA-N	275.308	1.753	10	20	CDCD	
CC[C@H](NC)C(=O)NCc1ccc(N2CCOCC2)cc1	852795146	VTEUERZKAQABTK-HNNXBMFYSA-N	291.395	1.137	10	20	CDCD	
CCOC(=O)[C@@H]1C[C@H]1C(=O)NCc1cc(OC)ccc1O	934942820	PWYWSEUNPBSMDK-VXGBXAGGSA-N	293.319	1.216	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2C[C@H](N)C[C@@H]2C)c1O	866684441	YVFBBWXHCXSFBF-QPUJVOFHSA-N	266.316	1.655	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)Cc1nc[nH]n1	865026935	DGNOBEUACKLQCF-UHFFFAOYSA-N	287.367	1.462	10	20	CDCD	
COC(=O)COc1ccc(N(C)Cc2ncc(C)[nH]2)cc1	862323032	OVJLUEHFYKWCBJ-UHFFFAOYSA-N	289.335	1.906	10	20	CDCD	
CCO[C@@H](C(=O)NCc1ccc(OC)cc1O)C1CC1	861490078	PCQJFGJTJMVYSK-CQSZACIVSA-N	279.336	1.832	10	20	CDCD	
CN(C)c1ccc(CNc2nccc(CO)n2)cc1F	767182230	BSQASMXVQAKXEF-UHFFFAOYSA-N	276.315	1.786	10	20	CDCD	
C[C@]1(C(=O)O)C[C@H](NCc2ccc3c(c2)CCO3)CCO1	1119615786	RZUQPFSSJBOOAK-CZUORRHYSA-N	291.347	1.733	10	20	CDCD	
Cc1ccc([C@@H](C)N[C@@H]2CCOC[C@H]2O)c(O)c1C	872141358	SVIOGQSSRASIGK-MRVWCRGKSA-N	265.353	1.809	10	20	CDCD	
OC[C@@H]1CCN(Cc2cc(Cl)cc(F)c2O)C1	775668944	AWYXBAQKUHUCKP-MRVPVSSYSA-N	259.708	1.999	10	20	CDCD	
COCCO[C@@H]1COCC[C@H]1NCc1cccc(C)c1O	777219937	OHTFBGRSILLOPY-HUUCEWRRSA-N	295.379	1.611	10	20	CDCD	
C[C@@H](NC(=O)N1CCC[C@@H]1CO)c1ccc(N(C)C)cc1	776239164	RIYIQADQZOSYRL-IUODEOHRSA-N	291.395	1.980	10	20	CDCD	
COC(=O)[C@H](CC(F)F)NCc1cccc(OC)c1O	789578440	AKPYRSJISQVDRQ-VIFPVBQESA-N	289.278	1.687	10	20	CDCD	
Cc1ccc(C(=O)N[C@H](C)C(=O)OC(C)(C)C)c(O)c1O	780933209	VLTWAILNHKPFNA-SECBINFHSA-N	295.335	1.866	10	20	CDCD	
C[C@@H]1C[C@H](NC(=O)NCc2cc(Cl)ccc2O)C(=O)O1	896367965	VUCYWLCHVMCXGS-XCBNKYQSSA-N	298.726	1.549	10	20	CDCD	
C[C@H]1C(=O)N(C)CCN1Cc1ccc(N2CCCC2)cc1	1204320911	DGLGVUKLANNQEP-AWEZNQCLSA-N	287.407	1.949	10	20	CDCD	
CC[C@@]1(NC(=O)c2ccc(C)c(O)c2O)CCOC1	791437652	ZJWCTPWEDJHHHN-CQSZACIVSA-N	265.309	1.705	10	20	CDCD	
O=C(NCCCN1CCCCC1)c1cccc(O)c1O	192898615	RVEFOBZEPMODQN-UHFFFAOYSA-N	278.352	1.704	10	20	CDCD	
C[C@H](Nc1cc(=O)n(C)c(O)n1)c1ccc(N(C)C)cc1	1339665367	FYNONMHHLAAAHI-JTQLQIEISA-N	288.351	1.725	10	20	CDCD	
C[C@H]1CCN1C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1	1331964012	KOZKISQBPUSJAR-ZDUSSCGKSA-N	299.374	1.300	10	20	CDCD	
CC(C)c1cc(C(=O)NCc2cccc(O)c2O)n(C)n1	1347540799	BMBLCDMNRWSSHL-UHFFFAOYSA-N	289.335	1.885	10	20	CDCD	
CC1(C)OC[C@H](CNC(=O)NCc2ccc(N)cc2)O1	1357337210	MXIQYNYLWUASPO-LBPRGKRZSA-N	279.340	1.220	10	20	CDCD	
C[C@H](NC1CC(CCO)C1)c1cc(C(=O)O)ccc1O	1604328217	DBOZOHXXCJSKOL-BMQDGWLCSA-N	279.336	1.902	10	20	CDCD	
CC[C@@H](NC[C@H]1CCN(c2ccc(OC)cc2)C1)C(=O)O	1609932562	MTSDHTQQXCMBIJ-IUODEOHRSA-N	292.379	1.974	10	20	CDCD	
COC(=O)N(C)CCNCc1c(O)cccc1OC	850389919	LDUPSILYLMKFBT-UHFFFAOYSA-N	268.313	1.189	10	20	CDCD	
C[C@@H]1CC[C@@H](NC(=O)NCc2cccc(Cl)c2O)CN1	1576666345	MOMBSSSLJRMVTC-MWLCHTKSSA-N	297.786	1.985	10	20	CDCD	
C[C@H](NC[C@H]1C[C@]2(CCNC2)CO1)c1ccccc1O	1579485822	RPRQEQMYFBZSBV-ZENOOKHLSA-N	276.380	1.811	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C1(C(=O)O)CC1	1592884012	YFBFSJWANKLQLO-QMMMGPOBSA-N	279.292	1.010	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CC[C@@H](O)[C@H]2C)c1O	832219265	BUUVYQQVVJODTN-AMIZOPFISA-N	267.300	1.689	10	20	CDCD	
Nc1ccc(CCNC(=O)CCOCC(F)(F)F)cc1	226249176	PPESJQVGVJOWFQ-UHFFFAOYSA-N	290.285	1.897	10	20	CDCD	
C[C@H]1OCC[C@@]1(C)NC(=O)c1cccc(O)c1O	229417751	OEFQDXOEUTVGBP-AMIZOPFISA-N	251.282	1.395	10	20	CDCD	
C[C@@H]1CCCCN1S(=O)(=O)NCc1ccccc1O	158579274	MNVHZQRWBCTSAT-LLVKDONJSA-N	284.381	1.601	10	20	CDCD	
COc1ccc(O)c(CN2CCS(=O)(=O)C[C@@H]2C)c1	180313248	BQJSXGHUNFTVSS-JTQLQIEISA-N	285.365	1.020	10	20	CDCD	
N[C@H]1CCN(Cc2cccc(Br)c2O)C1	390301010	CNGQGRCHMANUJE-VIFPVBQESA-N	271.158	1.688	10	20	CDCD	
CCCN1CC[C@H](NC(=O)Nc2ccc(N)cc2)C1	389538337	AVFUUGNKXMIVNQ-ZDUSSCGKSA-N	262.357	1.875	10	20	CDCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NC[C@@H]1CNC(=O)C1	398423862	WIJTZMJNEZCAAD-UTUOFQBUSA-N	274.364	1.975	10	20	CDCD	
CO[C@H]1COC[C@@H]1NCc1ccc(N(C)C)cc1	290065788	FOGLLQZQSMLDKL-KBPBESRZSA-N	250.342	1.256	10	20	CDCD	
C[C@@H](CN)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1	54344772	MBEWHEYPWFNRBK-ZDUSSCGKSA-N	291.395	1.076	10	20	CDCD	
Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(O)cc1	20256177	HZZFVIROGTUXNX-UHFFFAOYSA-N	267.310	1.533	10	20	CDCD	
COc1cccc(CN2CCC[C@H]([C@H](C)O)C2)c1O	136822974	CLSYDXPEKMBVTP-RYUDHWBXSA-N	265.353	1.994	10	20	CDCD	
C[C@@H]1CN(Cc2ccc(N(C)C)cc2)C[C@@H]1C(=O)O	86774362	LHJOFYGOJCBXME-RISCZKNCSA-N	262.353	1.905	10	20	CDCD	
COC(=O)[C@@H](C)CN(C)C(=O)c1ccc(C)c(O)c1O	267557097	FKRYUXNJMBBMRF-VIFPVBQESA-N	281.308	1.287	10	20	CDCD	
CC(C)OCCCNC(=O)c1c(F)ccc(O)c1O	276557726	JRDCQXNPSPVJDA-UHFFFAOYSA-N	271.288	1.782	10	20	CDCD	
Cc1cccc(CN2CCn3cnnc3[C@@H]2C)c1O	276844758	TWMDWOXFIGTHAQ-NSHDSACASA-N	258.325	1.869	10	20	CDCD	
CCOC(=O)C[C@H](C)CNC(=O)NCc1ccccc1O	270456147	PMLJTAJMYUFRAP-NSHDSACASA-N	294.351	1.781	10	20	CDCD	
CCO[C@@H]1C[C@H](NC(=O)NCc2ccccc2O)[C@H]1OC	274953337	QFAOPAKWSIOKBS-IACUBPJLSA-N	294.351	1.384	10	20	CDCD	
Cc1ccc(C(=O)NC[C@H]2CCCN2C)c(O)c1O	272782984	VIZGVTGJUOZVPS-SNVBAGLBSA-N	264.325	1.230	10	20	CDCD	
COC[C@@H](O)CCN[C@@H](C)c1cc(C(=O)OC)ccc1O	273511688	RVMFXXRQHIMZSU-JQWIXIFHSA-N	297.351	1.227	10	20	CDCD	
CCN(CCOC)CC(=O)NCc1ccc(N(C)C)cc1	270776947	NIEDOVSCNAMKHD-UHFFFAOYSA-N	293.411	1.337	10	20	CDCD	
Cn1cc(N2CC[C@@H](NCc3ccc4c(c3)CCO4)C2)cn1	374247945	SNBHNEYKJFKWTM-OAHLLOKOSA-N	298.390	1.724	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@](C)(O)C1CC1	286417189	RZWYTDJSXHTRAZ-MRXNPFEDSA-N	276.380	1.872	10	20	CDCD	
CN(C)c1ccc(CNC(=O)C[C@@H]2CCCC(=O)N2)cc1	289592554	JPDCPRPNPKDLAY-ZDUSSCGKSA-N	289.379	1.428	10	20	CDCD	
CCO[C@@H]1C[C@@H]1C(=O)NCc1ccc(N(C)C)cc1	298673681	VJRLMERJDIRZSZ-UONOGXRCSA-N	262.353	1.794	10	20	CDCD	
CON(C)C(=O)C1CCN(Cc2ccccc2O)CC1	291195695	HASXQDGOGDYNPU-UHFFFAOYSA-N	278.352	1.624	10	20	CDCD	
C[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)C1CNC1	817889055	RHWMNSIXXIXZFT-GFCCVEGCSA-N	293.386	1.360	10	20	CDCD	
CC(=O)NCCN(Cc1cc(C)ccc1O)[C@@H](C)C(=O)O	819770111	HJNDDKZUYVNRJM-NSHDSACASA-N	294.351	1.112	10	20	CDCD	
CN1CCCC[C@H](C(=O)NCc2ccccc2O)C1=O	821054646	AOSUVGAZUSDHPZ-GFCCVEGCSA-N	276.336	1.267	10	20	CDCD	
O=C(NCCCSc1nccs1)[C@H](O)C1CC1	827474595	FYYBWDCEMLHMME-SECBINFHSA-N	272.395	1.512	10	20	CDCD	
COC(=O)c1cnc(SCN2CCCCC2=O)s1	829680903	HXZNBRBEFXABAV-UHFFFAOYSA-N	286.378	1.992	10	20	CDCD	
COc1ccc(N(C)CCNC(=O)NC(C)C)cc1OC	827809212	YRFQZDOACKDDPR-UHFFFAOYSA-N	295.383	1.848	10	20	CDCD	
COc1cc(CN2C[C@H](O)[C@H](O)C2)c(O)c(C(C)(C)C)c1	824830502	QNHIINNXKPWHFF-OKILXGFUSA-N	295.379	1.236	10	20	CDCD	
Cc1nc(CC(=O)NCCCSc2nccs2)n[nH]1	827475339	YGFXIVDGBPBOFP-UHFFFAOYSA-N	297.409	1.411	10	20	CDCD	
O=C(N[C@H]1CCN2CCC[C@H]2C1)c1cc(O)cs1	732273085	VSZVHHUMSUNDAV-UWVGGRQHSA-N	266.366	1.810	10	20	CDCD	
CCNC(=O)C(C)(C)NCc1cc([N+](=O)[O-])ccc1O	835073519	CDRLGQGSAXTPEW-UHFFFAOYSA-N	281.312	1.305	10	20	CDCD	
CN(C)c1ccc(CNC[C@@](C)(O)C(F)F)cc1F	905077533	ZSEWPYRDAPJZSE-CYBMUJFWSA-N	276.302	1.997	10	20	CDCD	
C[C@H](N)C[C@H](C)NC(=O)NCc1ccc(N(C)C)cc1	831094978	TXIZXPMJBQJFRN-RYUDHWBXSA-N	278.400	1.678	10	20	CDCD	
COC1CCC(NC(=O)c2c(F)ccc(O)c2O)CC1	839800084	QNQNRWCQNYITAA-UHFFFAOYSA-N	283.299	1.924	10	20	CDCD	
C[C@@H](NCC[C@@]1(O)CCCOC1)c1ccccc1O	846213826	KTRVIHCSPHPOCK-DOMZBBRYSA-N	265.353	1.974	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)C(C)(C)CO)c1	847591013	MPRCRIMWIHKBIN-SECBINFHSA-N	267.325	1.597	10	20	CDCD	
CC[C@H]1C[C@@H](C)CN1C(=O)C(=O)Nc1ccc(N)cc1	841057225	YWBUTRZZCTUTBD-MFKMUULPSA-N	275.352	1.854	10	20	CDCD	
CN1C[C@@H](C(=O)NCc2cc(Cl)ccc2O)CC1=O	846473592	UNOUEGSATPKXTH-VIFPVBQESA-N	282.727	1.140	10	20	CDCD	
CCN1C[C@@H](CN[C@@H](C)c2cc(OC)ccc2O)CC1=O	846095592	BNEJDYXBYWYZBV-NWDGAFQWSA-N	292.379	1.920	10	20	CDCD	
CC(C)O[C@@H]1CCN(Cc2cc3c(cc2O)OC[C@H]3O)C1	842611410	ZDFLTRCSCIJSHL-IUODEOHRSA-N	293.363	1.817	10	20	CDCD	
C[C@H](CN)N(C)Cc1ccc(N2CCOCC2)c(F)c1	843051452	IFBDUTFEGHIPGP-GFCCVEGCSA-N	281.375	1.441	10	20	CDCD	
CC(=O)c1cc(F)cc(CN(C)[C@H](CN)C2CC2)c1O	843386733	LHSCNGLCJQZFRO-CQSZACIVSA-N	280.343	1.903	10	20	CDCD	
CC(C)(C)NC(=O)[C@H]1CCCN1C(=O)c1cc(O)cs1	928727283	KJSQOFSVTGXFIJ-SNVBAGLBSA-N	296.392	1.973	10	20	CDCD	
COc1cccc(CNC(=O)[C@@]2(C)CCOC2)c1O	755529595	ILSVVKAZEBIURN-AWEZNQCLSA-N	265.309	1.444	10	20	CDCD	
CN(C)c1cc(F)c(CNc2cnn(CCO)c2)cc1F	858124765	OXLFKMJYLVLYHC-UHFFFAOYSA-N	296.321	1.832	10	20	CDCD	
CN(C)c1cc(F)c(CNC[C@H]2CCCNC2=O)cc1F	858177404	KMUGWXNIMUVCCB-SNVBAGLBSA-N	297.349	1.647	10	20	CDCD	
COc1ccc(O)c([C@H](C)N[C@@H](C)[C@H]2CN(C)CCO2)c1	756759996	NAVIDBLQVSYGMK-MQIPJXDCSA-N	294.395	1.771	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@@H]2C[C@@H]2C1	856064282	WOOVFYYFXJYGSV-VNPHXJNISA-N	259.305	1.979	10	20	CDCD	
CCc1nc(COC(=O)/C=C\c2ccc(O)c(O)c2)n[nH]1	759588106	IGHIUYBWCKLBHO-XQRVVYSFSA-N	289.291	1.535	10	20	CDCD	
COC(=O)[C@@H]1C[C@@H]1C(=O)NCc1cc(C)ccc1O	862756404	XGMFUBYOLHMWHJ-WDEREUQCSA-N	263.293	1.126	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@H]2CCCC23OCCO3)c1	862755097	CPJMGDZRJNDBGU-CYBMUJFWSA-N	291.347	1.860	10	20	CDCD	
Cc1cccc(CN[C@H](CCO)C2CCOCC2)c1O	764680140	ZEUZGSPVEGNQEQ-OAHLLOKOSA-N	279.380	1.968	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2c1nnnn1C1CC1	1119721936	PRPGCLZVSJNIRR-UHFFFAOYSA-N	286.339	1.605	10	20	CDCD	
COC(=O)[C@@H](CC(F)F)NCc1ccc(C)cc1O	877469107	JRTZFEOIZTYRGT-SNVBAGLBSA-N	273.279	1.987	10	20	CDCD	
COc1ccc(O)c(CN(C)CCNC(=O)N(C)C)c1	779432561	VKECXWIHCCEUPW-UHFFFAOYSA-N	281.356	1.104	10	20	CDCD	
Cc1cccc(O)c1CNCCSCCCO	877013484	AKHMXXQYCNUMSI-UHFFFAOYSA-N	255.383	1.906	10	20	CDCD	
CCOC(=O)CN(CCOC)Cc1ccccc1O	770508702	FISBHHNNOKMZMJ-UHFFFAOYSA-N	267.325	1.404	10	20	CDCD	
O=C(O)CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@H]1F	1123286601	YXSYZFIVSGRYMA-NXEZZACHSA-N	267.256	1.163	10	20	CDCD	
C[C@@H](NCCCS(C)(=O)=O)c1c(O)cccc1F	886522490	KIAPPOXGSHQMNO-SECBINFHSA-N	275.345	1.617	10	20	CDCD	
Cc1ccc(C(=O)N2CCCC(=O)[C@@H]2C)c(O)c1O	885049215	HOEDVQDFYCCJSN-VIFPVBQESA-N	263.293	1.600	10	20	CDCD	
O=C(COC(=O)c1cccc(O)c1O)CC1CC1	784798212	MNDNMKIPMBKIEM-UHFFFAOYSA-N	250.250	1.624	10	20	CDCD	
C[C@@H]1C[C@@H](N)CN1C(=O)NCc1ccc(N(C)C)c(F)c1	891457174	XNAOPSNDNNJFCL-ZYHUDNBSSA-N	294.374	1.523	10	20	CDCD	
COc1cc(C)cc(CNCc2nnnn2C2CC2)c1O	894312364	IKFKQVMMCWGUBV-UHFFFAOYSA-N	289.339	1.320	10	20	CDCD	
C[C@@H]1CN(C)C(=O)CN1Cc1cc(F)cc(F)c1O	894533431	JBNWQZQAQTWHOM-MRVPVSSYSA-N	270.279	1.333	10	20	CDCD	
COc1ccc(O)c(CNC(=O)NOC[C@H]2CCOC2)c1	788323496	NETZNUCXZGIEMV-JTQLQIEISA-N	296.323	1.168	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2C[C@@H](C)[C@@H](O)C2)c1O	897679707	KXKHNTXPXOHPPS-KCJUWKMLSA-N	282.296	1.122	10	20	CDCD	
CO[C@H](CNC(=O)c1ccc(C)c(O)c1O)C(F)(F)F	780941073	ZWUVCYCPBSFJOT-MRVPVSSYSA-N	293.241	1.713	10	20	CDCD	
COc1ccc(CNCCNC(=O)CCCF)cc1C	1132463033	JLRSVMNQDSKFDV-UHFFFAOYSA-N	282.359	1.959	10	20	CDCD	
COc1ccc(CNC(=O)Cc2c(C)noc2C)c(O)c1	794389109	JAOUFWZOYGVGBA-UHFFFAOYSA-N	290.319	1.865	10	20	CDCD	
C[C@H](CS(C)(=O)=O)NCc1ccc(N(C)C)cc1	78640507	ZTXGQHQMSIRUBI-LLVKDONJSA-N	270.398	1.275	10	20	CDCD	
CCNCC1CCN(C(=O)NCc2ccc(N)cc2)CC1	1337019709	UDXLUKKREDXUID-UHFFFAOYSA-N	290.411	1.800	10	20	CDCD	
CCCN1CC[C@@H](CNC(=O)NCc2ccc(N)cc2)C1	1356583404	FDQQXUPMTCIXCR-AWEZNQCLSA-N	290.411	1.800	10	20	CDCD	
CC(=O)N[C@](C)(C(=O)NCc1ccc(N)cc1)C(C)C	1515333172	OASWPWYFQPGZEM-HNNXBMFYSA-N	277.368	1.436	10	20	CDCD	
COc1cc(C)cc(CN[C@@H](CN)C(F)(F)F)c1O	1579144887	KYNMUSLFWJGUAA-JTQLQIEISA-N	278.274	1.688	10	20	CDCD	
CN(C)c1ccc([C@@H](N)CNC(=O)OCCCF)cc1	1578424511	JSEHQBYTMHFTHK-ZDUSSCGKSA-N	283.347	1.838	10	20	CDCD	
Nc1ccc(CC(=O)N2C[C@H]3CC[C@@H](O)[C@H]3C2)cc1	1580443140	SUTLOVZWPSMJEI-KWCYVHTRSA-N	260.337	1.041	10	20	CDCD	
C/C(=C\CNC(=O)NCc1cc(Cl)ccc1O)C(=O)O	1588973442	KWYKWOADWQEUSP-XBXARRHUSA-N	298.726	1.876	10	20	CDCD	
COc1ccc(O)c([C@H](C)N=c2cc[nH]c(C(=O)O)n2)c1	1599598475	NRURUQWWKZHZSU-QMMMGPOBSA-N	289.291	1.484	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)NCCn1ccnc1	204527157	NAJHBCJKTHTLPV-RQOWECAXSA-N	273.292	1.124	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)[C@@H]1CC1(Cl)Cl	156669448	FEOCAOZVJABTCV-QMMMGPOBSA-N	290.146	1.950	10	20	CDCD	
COC[C@@H](CCO)NCc1cc(Cl)cc(OC)c1O	230934710	CSPQUDABBSVZDC-LLVKDONJSA-N	289.759	1.541	10	20	CDCD	
CCOc1cccc(CNCCn2ccnc2)c1O	41119112	KGPGEGPPZBDOSV-UHFFFAOYSA-N	261.325	1.777	10	20	CDCD	
CCc1cccc(CN[C@H](CO)CCOC)c1O	691493966	MJUBLGFUSHVMQS-ZDUSSCGKSA-N	253.342	1.442	10	20	CDCD	
CC(C)(C)CN(CC(=O)O)C(=O)Cc1ccc(N)cc1	692342953	KEXOZIYQNHDHHF-UHFFFAOYSA-N	278.352	1.771	10	20	CDCD	
O=C(O)[C@@H]1OCC[C@@H]1CNCc1cc(Cl)ccc1O	716162521	YSRYKUHXIYYQDG-PRHODGIISA-N	285.727	1.625	10	20	CDCD	
C[C@H]1CC[C@H](CNC(=O)c2cccc(O)c2O)O1	398114415	TYNHPOIZMUUOLQ-DTWKUNHWSA-N	251.282	1.395	10	20	CDCD	
C[C@H]1COCCN1Cc1cc2c(cc1O)OCO2	25480336	AMWOYOQKEAWDCG-VIFPVBQESA-N	251.282	1.342	10	20	CDCD	
CCCS(=O)(=O)NCc1ccc(N(C)C)cc1C	115592766	CPUYEDHPRLJQOU-UHFFFAOYSA-N	270.398	1.890	10	20	CDCD	
COc1cc(O)c(CN2CC[C@H](CN(C)C)C2)cc1OC	179444423	POWFHNUYDCOMMM-GFCCVEGCSA-N	294.395	1.793	10	20	CDCD	
CN1C(=O)C(=Cc2ccc(F)cc2Cl)C(=O)N(C)C1=O	128668933	YCESRWSKRCEJNJ-UHFFFAOYSA-N	296.685	1.913	10	20	CDCD	
COc1cccc(CN[C@@H](C)CC[S@](C)=O)c1O	125567408	BWWNHYUNIYSYAO-XTZNXHDOSA-N	271.382	1.648	10	20	CDCD	
O=C(Nc1cnn(CC(F)F)c1)c1cccc(O)c1O	187102944	RDKTYSNBRQOSCL-UHFFFAOYSA-N	283.234	1.812	10	20	CDCD	
CC(C)CC[C@@H](C)NC=C1C(=O)N(C)C(=O)N(C)C1=O	72680388	SFSYLFHCNLFPFC-SNVBAGLBSA-N	281.356	1.335	10	20	CDCD	
C[C@@H]1CN(C(=O)Cc2ccc(N)cc2)CCS1	155682155	QKPGMUPSVHWXBP-SNVBAGLBSA-N	250.367	1.775	10	20	CDCD	
COCCOCC(=O)N(C)Cc1ccc(N(C)C)cc1	72748043	KJDWXPDVVIAJBD-UHFFFAOYSA-N	280.368	1.374	10	20	CDCD	
O=C(NCCNCc1ccc(N2CCCC2)cc1)C1CC1	134294235	YUFYBBQAAAKPMX-UHFFFAOYSA-N	287.407	1.903	10	20	CDCD	
CC[C@](C)(CO)NCc1cc2c(cc1O)OCO2	80886466	MXYLYANQRZKGHO-CYBMUJFWSA-N	253.298	1.372	10	20	CDCD	
Cc1ccc(O)c(CN2CCOC[C@@]23CCOC3)c1	195008978	AQWFRIXSZBEZGB-HNNXBMFYSA-N	263.337	1.692	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)CNCCOC	92495806	JZAUBCKOSKHICA-UHFFFAOYSA-N	293.411	1.337	10	20	CDCD	
Nc1ccc(CC(=O)N2CCC(NCC3CC3)CC2)cc1	237886018	DHLAQQMIVUEGHO-UHFFFAOYSA-N	287.407	1.802	10	20	CDCD	
C[C@@H]1C[C@@H](NC[C@H]2COCCN2)c2c(O)ccc(F)c21	530222006	FLKUPMQSUGYZLY-JFGNBEQYSA-N	280.343	1.658	10	20	CDCD	
CN(C)c1ccc(CNC(=O)Nc2ccn(C)n2)cc1F	264468828	QHYPOWIDCGGMEH-UHFFFAOYSA-N	291.330	1.947	10	20	CDCD	
CCc1cc(O)ccc1NS(=O)(=O)c1cnn(CC)c1	276924143	QGWXSDBYFMHWGX-UHFFFAOYSA-N	295.364	1.972	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2CCOC[C@H](C)C2)c1O	364857216	KFMQMPVRBKXUIE-SNVBAGLBSA-N	296.323	1.777	10	20	CDCD	
Oc1ccccc1CN[C@@H]1COc2ccccc2[C@H]1O	288570461	MYDKWFCEEPWVCU-CZUORRHYSA-N	271.316	1.976	10	20	CDCD	
COCCn1c(SCC(=O)C(C)=O)nc(C)c1C	289796198	YBMFSJZXHYUQOE-UHFFFAOYSA-N	270.354	1.397	10	20	CDCD	
C[C@@H](OC(=O)c1cccc(O)c1O)c1nncn1C	805531852	IEILRNWDGQMFFA-SSDOTTSWSA-N	263.253	1.144	10	20	CDCD	
CCOCCOC1CN(Cc2cccc(OC)c2O)C1	297308290	BQMPUBDOPLDVNV-UHFFFAOYSA-N	281.352	1.638	10	20	CDCD	
CN1CC(=O)N[C@H]1c1cc(Br)ccc1O	298776008	HNQZGVGOOUZEBD-SNVBAGLBSA-N	271.114	1.215	10	20	CDCD	
CCn1nncc1C(=O)NCc1ccc(N(C)C)c(F)c1	292863433	AXOHHNDZXOPMLQ-UHFFFAOYSA-N	291.330	1.433	10	20	CDCD	
Cn1cncc1CC(=O)NCc1c(O)ccc2c1CCCC2	806942899	IXGCBEHICLFVFE-UHFFFAOYSA-N	299.374	1.863	10	20	CDCD	
Cn1cnc(C(=O)NCc2c(O)ccc3c2CCCC3)n1	810446384	SYCGCYGFFAUMEH-UHFFFAOYSA-N	286.335	1.330	10	20	CDCD	
C[C@H](C(=O)O)N(C)Cc1ccc(N2CCN(C)CC2)cc1	819895512	LZFJKKXJDXSSBA-CYBMUJFWSA-N	291.395	1.343	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H](C)[C@@H](C)N)c1	828667088	MUWMLNYRALWRCD-AEJSXWLSSA-N	266.341	1.561	10	20	CDCD	
C[C@H](NC(=O)c1c(F)ccc(O)c1O)[C@@H]1CCCOC1	828081081	MOTYGKCHWOVABC-DTWKUNHWSA-N	283.299	1.782	10	20	CDCD	
C[C@@H]([C@@H](C)NC(=O)c1cc(O)cs1)N1CCOCC1	732288370	QYVOEBKCQHQGBE-ZJUUUORDSA-N	284.381	1.293	10	20	CDCD	
CC[C@@H](NC(=O)c1ccc(C)c(O)c1O)C(OC)OC	834419156	RBGUKYASSQAZJL-SNVBAGLBSA-N	283.324	1.534	10	20	CDCD	
CCOc1ccc(O)c(CN(C)C[C@@H](C)C(=O)O)c1	833662976	PLZAVXCTJFPIMS-SNVBAGLBSA-N	267.325	1.943	10	20	CDCD	
COc1cccc([C@H](C)NCCN2CCCOCC2)c1O	903226521	GRCRFUMAUULUEI-ZDUSSCGKSA-N	294.395	1.774	10	20	CDCD	
CN(C)c1ccc([C@H](N)CNC(=O)[C@H]2CCCS2)cc1	832267330	QORRPGMGBLQXPA-ZIAGYGMSSA-N	293.436	1.764	10	20	CDCD	
CCOC(=O)[C@H](C)CNC(=O)Nc1ccc(N)cc1	841300520	SIECQCZDNTYGJV-SECBINFHSA-N	265.313	1.590	10	20	CDCD	
CC(=O)NCCCNC(=O)NCc1cc(Cl)ccc1O	844884178	BIDVGQDIRYQVLJ-UHFFFAOYSA-N	299.758	1.371	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H](C)CN)c1	841961359	AJDDOJYNNCFJJR-UWVGGRQHSA-N	281.356	1.356	10	20	CDCD	
C[C@@H]1OCCN(C(=O)NCCc2ccc(N)cc2)[C@H]1C	841960369	OHLAJUOEFKTUQP-RYUDHWBXSA-N	277.368	1.630	10	20	CDCD	
CCO[C@@H]1C[C@H](NC(=O)Nc2ccc(N)cc2)[C@@H]1OC	841296024	MTNIXEXYOIYWKN-XQQFMLRXSA-N	279.340	1.583	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CC[C@@H]([C@@H](C)N)C2)c1O	843364497	KNZFKTGZVKDVHZ-MWLCHTKSSA-N	280.343	1.903	10	20	CDCD	
Cn1[nH]cnc1=NCCCSc1nccs1	846748877	LZFCGESWYJHYLY-UHFFFAOYSA-N	255.372	1.288	10	20	CDCD	
CN1CCN(c2ccc(CNCC(C)(C)N)cc2)CC1	841029894	CRJCBTZJGMSLQR-UHFFFAOYSA-N	276.428	1.265	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CCC(=O)O)cc1F	842586531	UZEUUACBXBNENH-UHFFFAOYSA-N	268.288	1.373	10	20	CDCD	
C[C@H]1COC[C@@H]1NC(=O)N(C)Cc1ccc(N(C)C)cc1	925992504	RPHNUFUZCYSZRV-WFASDCNBSA-N	291.395	1.929	10	20	CDCD	
CNC[C@H](C)N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1	854233326	XUPYUBJTCYNWPE-STQMWFEESA-N	295.402	1.921	10	20	CDCD	
Cn1cnc(/C=C/C(=O)N2C[C@@H](O)Cc3ccccc32)c1	935712761	CIIIQKMEQDYSGU-UZYOAWRESA-N	283.331	1.384	10	20	CDCD	
Cc1cc(O)c(CNCCN2CC[C@@H](O)C2)cc1Cl	862532155	RFDQQLUJPBLSKS-GFCCVEGCSA-N	284.787	1.510	10	20	CDCD	
CCC[C@H](CCO)NC(=O)/C=C/c1ccc(O)c(O)c1	869866081	CVROITKHZOKIOJ-HOSRBBHYSA-N	279.336	1.778	10	20	CDCD	
CCOc1ccc(CN2CCC(NC(C)=O)CC2)c(O)c1	769193402	ZPCDAFQTKZYSLB-UHFFFAOYSA-N	292.379	1.891	10	20	CDCD	
CN(C)c1ccc(CNC[C@H]2C[C@H](O)C2)cc1F	873177470	NYPPNCOGYBAFBI-HAQNSBGRSA-N	252.333	1.752	10	20	CDCD	
Cc1cccc(O)c1CNC[C@H](O)COCC1CC1	877000183	LGYGKGVSKUWILO-ZDUSSCGKSA-N	265.353	1.578	10	20	CDCD	
Cc1ccc(CN2CC[C@H](NC(=O)NC3CC3)C2)c(O)c1	877352518	HBBIUSOWJALIMA-AWEZNQCLSA-N	289.379	1.737	10	20	CDCD	
CC[C@H](COC)NCc1ccc(N2CCN(C)CC2)cc1	776212702	NMSBIUVUTZFPQG-MRXNPFEDSA-N	291.439	1.953	10	20	CDCD	
Cc1ccc(CNCCCC(=O)NC2CC2)c(O)c1	876934104	BODDVRQMSZRPDL-UHFFFAOYSA-N	262.353	1.849	10	20	CDCD	
C[C@H]1NC(=O)N(CCCSc2nccs2)C1=O	777649070	CLDJPTPYQYFCJR-SSDOTTSWSA-N	271.367	1.566	10	20	CDCD	
CNC(=O)CCN(C)Cc1cc(Cl)cc(F)c1O	775679315	WOANMIQCRZHFNS-UHFFFAOYSA-N	274.723	1.753	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2CC[C@@H](O)[C@H](C)C2)c1O	775091171	WIPRUSNZBGFJAW-BXKDBHETSA-N	296.323	1.512	10	20	CDCD	
Cc1ccc(CN(C)[C@@H]2CCN(S(C)(=O)=O)C2)c(O)c1	877545822	MIIDUZUBTMPEIK-CYBMUJFWSA-N	298.408	1.166	10	20	CDCD	
CC[C@@H](C(=O)OC)n1cc(COc2ccc(N)cc2)nn1	881135411	FQJQTSPZLOIAJU-ZDUSSCGKSA-N	290.323	1.563	10	20	CDCD	
Cc1cc(C)c([C@H](C)N[C@@H](C)CC(N)=O)c(O)c1	788630083	FKSUMLMDBRQWDW-QWRGUYRKSA-N	250.342	1.924	10	20	CDCD	
CO[C@@H](C(=O)OCC(=O)c1ccc(O)c(O)c1)C(C)C	784784107	QVLKOKBOOOGDHA-CYBMUJFWSA-N	282.292	1.495	10	20	CDCD	
Nc1ccc(OCc2cn(CC3(O)CCC3)nn2)cc1	881413120	KDWMAJRFQUPSDM-UHFFFAOYSA-N	274.324	1.354	10	20	CDCD	
COc1cc(C)cc(CN[C@H]2COC[C@H]2OC)c1O	894983696	FTRRAKJBBVJVNN-WCQYABFASA-N	267.325	1.213	10	20	CDCD	
CCOc1ccc(O)c(CN2C[C@H](C)[C@@H](O)C2)c1	897684686	VEXIDDYYVOLFPN-HZMBPMFUSA-N	251.326	1.604	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@H]2CCCC(=O)N2)cc1F	799593509	XEBATEODEIIRLT-GFCCVEGCSA-N	293.342	1.177	10	20	CDCD	
CN1CCCc2cc(CNC(=O)COC(F)F)ccc21	795834039	YFTUIKJWDSTNIH-UHFFFAOYSA-N	284.306	1.924	10	20	CDCD	
CCN(CC)c1ccc(CN[C@H](C(=O)O)[C@H](C)O)cc1	75423924	AAYLZRNFNFXTEJ-FZMZJTMJSA-N	280.368	1.456	10	20	CDCD	
COc1ccc(CN2CC[C@H](OC)C2)c(O)c1OC	1336687389	VXQBLFGUMTYZPE-NSHDSACASA-N	267.325	1.630	10	20	CDCD	
Nc1ccc(CNC(=O)N2CCO[C@@H](C(F)F)C2)cc1	1335724660	HZUADYCSODNKAS-LLVKDONJSA-N	285.294	1.444	10	20	CDCD	
C[C@H](CCO)CNCc1ccc(N2CCOCC2)cc1	97439821	GLUKKPGDARKFNJ-CQSZACIVSA-N	278.396	1.631	10	20	CDCD	
C[C@H](C[C@@H]1CCOC1)NC(=O)NCc1ccc(N)cc1	1357261978	PAKCULUEVNNRPF-YPMHNXCESA-N	277.368	1.883	10	20	CDCD	
O=C(O)c1ccc(NCc2c(O)cccc2F)nn1	1602382015	WXYNXVBKFCPXGF-UHFFFAOYSA-N	263.228	1.632	10	20	CDCD	
Cn1nccc1[C@H](NCc1cc(Cl)ccc1O)C(=O)O	1605568610	XIIJYTFYXJXYMT-LBPRGKRZSA-N	295.726	1.695	10	20	CDCD	
C[C@]1(C(=O)O)CCCN1C(=O)c1cc(O)cs1	1603293126	XGGUYPWXAZUINL-LLVKDONJSA-N	255.295	1.533	10	20	CDCD	
CC(C)OCCN[C@@H](C)c1cccc(-c2nn[nH]n2)c1O	1603354706	WFKXEFOMWCTYOX-JTQLQIEISA-N	291.355	1.648	10	20	CDCD	
C[C@H]1CC[C@@H](C(=O)O)CN1C(=O)Cc1ccc(O)c(O)c1	1603381953	VSNFCZXGXJKFLQ-GXSJLCMTSA-N	293.319	1.352	10	20	CDCD	
CCOc1cccc(CN[C@H](CF)C(=O)O)c1O	1610045615	YEUDMKKXENHQBT-SECBINFHSA-N	257.261	1.303	10	20	CDCD	
c1cc(N2CCOCC2)ccc1CN[C@H]1C[C@H]2CC[C@@H]1N2	1580890484	LWTRXCUTNNNDIG-PVAVHDDUSA-N	287.407	1.506	10	20	CDCD	
O=C(NCc1cc(Cl)ccc1O)C1(F)CCNCC1	1580708691	ZLMZSLUTUCWDOI-UHFFFAOYSA-N	286.734	1.754	10	20	CDCD	
CC[C@@H](CNCc1ccc([N+](=O)[O-])c(OC)c1O)C(=O)O	1589551802	FDMRMFYINUCVAK-QMMMGPOBSA-N	298.295	1.509	10	20	CDCD	
CCCCN(Cc1ccccc1O)C(=O)COCC(=O)O	1595747247	DBZXRQWJFJIHTM-UHFFFAOYSA-N	295.335	1.622	10	20	CDCD	
Cc1n[nH]cc1CNCc1ccc(C(=O)O)cc1O	1777487325	ZCKOVJMJLIUDAY-UHFFFAOYSA-N	261.281	1.412	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C[C@H]1COC(=O)C1	159336377	CYBGUEWAMQIVGQ-CYBMUJFWSA-N	290.363	1.664	10	20	CDCD	
CS[C@H](CO)[C@@H](C)NCc1cc(F)ccc1O	226610483	ONUAIZSMICXJPS-PRHODGIISA-N	259.346	1.733	10	20	CDCD	
C[C@H](N)[C@@H]1CCCCN1C(=O)Cc1ccc(N)cc1	237427828	YWRQOKRLALYYCU-FZMZJTMJSA-N	261.369	1.540	10	20	CDCD	
CCNC(=O)[C@H](C)N[C@H](C)c1cc(OC)ccc1O	36795005	KFYBGPJZROMKDV-ZJUUUORDSA-N	266.341	1.576	10	20	CDCD	
CC[C@H]1CN(C(=O)c2cccc(O)c2O)[C@H](C)CO1	403828489	AGAORSDLGHRMAV-ZJUUUORDSA-N	265.309	1.737	10	20	CDCD	
CCc1cccc(CNCCN(C)CCOC)c1O	691450114	XBBGZFIWKPYSKW-UHFFFAOYSA-N	266.385	1.622	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CC(=O)N(C)C2)c1	103529894	BQIHVAXXTZXDND-ZJUUUORDSA-N	292.335	1.056	10	20	CDCD	
Cc1ccc(C(=O)N2CCN(C)C[C@H]2C(C)C)c(O)c1O	179511422	MZPWXLPJJGMPJZ-ZDUSSCGKSA-N	292.379	1.818	10	20	CDCD	
CCONC(=O)NCc1ccc(N2CCOCC2)c(F)c1	171581057	VPBOXRLXLPKWDG-UHFFFAOYSA-N	297.330	1.413	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@@H]1CO	304264012	UQHKRUGSTNQLBN-OAHLLOKOSA-N	291.395	1.727	10	20	CDCD	
CN[C@H]1CCN(Cc2cc(Br)ccc2O)C1	219381909	XZSFHHIAAKJFAP-NSHDSACASA-N	285.185	1.948	10	20	CDCD	
CCNC(=O)[C@H](C)NCc1ccc(N2CCOCC2)cc1	35134284	YPXJDYKWGLHDIL-ZDUSSCGKSA-N	291.395	1.137	10	20	CDCD	
COc1ccnc(N[C@@H](C)Cc2ccc(O)c(O)c2)n1	183599388	PKZZVURGAWGVRM-VIFPVBQESA-N	275.308	1.940	10	20	CDCD	
Cc1ccc(C(=O)NC[C@@](C)(O)C(C)C)c(O)c1O	182532859	VVXBTXILQBHTCR-CQSZACIVSA-N	267.325	1.543	10	20	CDCD	
C[C@@H]1CS(=O)(=O)CCN1Cc1cc(F)ccc1O	180172437	COJUDXHEDNISTC-SECBINFHSA-N	273.329	1.150	10	20	CDCD	
Nc1ccc(CC(=O)N2CCC[C@@H](Cn3cncn3)C2)cc1	237888306	KAYLROZQUKOVDS-CQSZACIVSA-N	299.378	1.342	10	20	CDCD	
CC[C@H]1C(=O)NCCN1Cc1cccc(OC)c1O	93050390	HQPLUOKDHGNBAM-NSHDSACASA-N	264.325	1.111	10	20	CDCD	
COC[C@@H](CCO)N[C@@H](C)c1cc(C)ccc1O	230663242	YYMAIIZEZUQQON-NWDGAFQWSA-N	253.342	1.749	10	20	CDCD	
CN1CCCc2cc(CNC(=O)c3cnc[nH]3)ccc21	263648071	CSTDUJPIGPHTBH-UHFFFAOYSA-N	270.336	1.722	10	20	CDCD	
CCC[C@@]1(C)C(=O)NCCN1C(=O)c1cccc(O)c1O	275849282	KYGRWYWPEZGGQR-HNNXBMFYSA-N	292.335	1.229	10	20	CDCD	
Cc1ccc(C(=O)NC[C@@H]2CCCCO2)c(O)c1O	271265752	KNYBJGNWRAPDQF-JTQLQIEISA-N	265.309	1.705	10	20	CDCD	
COc1cccc(CN2CC[C@H](O)C(C)(C)C2)c1O	275850400	HYPIMNPVGRUVIT-ZDUSSCGKSA-N	265.353	1.994	10	20	CDCD	
CCOC(=O)[C@@](C)(O)CN(C)c1ccc(OC)cc1OC	274223674	RVMRYSQXNUACNL-HNNXBMFYSA-N	297.351	1.454	10	20	CDCD	
COc1ccc(CNC[C@H](CO)[C@@H]2CCOC2)cc1C	280249345	ITDGDKVHLLSVQL-HUUCEWRRSA-N	279.380	1.738	10	20	CDCD	
COCC[C@@H](CO)N[C@@H](C)c1ccc(F)c(F)c1O	281588246	LNJOEXBTJINCIJ-IUCAKERBSA-N	275.295	1.718	10	20	CDCD	
CC1(C)CNC(=O)CN1Cc1cc(Cl)cc(F)c1O	800539096	MWCNEEJILPUKKO-UHFFFAOYSA-N	286.734	1.895	10	20	CDCD	
CN1CCCc2cc(CN[C@H]3CCNC(=O)CC3)ccc21	396716563	RMRIBNACHUQEQI-OAHLLOKOSA-N	287.407	1.827	10	20	CDCD	
C[C@@H](NCCC(=O)O)c1ccc(N2CCOCC2)c(F)c1	818046357	UHKVOFJSDGBIJD-LLVKDONJSA-N	296.342	1.788	10	20	CDCD	
C[C@H](NC[C@H](N)c1ccc(N(C)C)cc1)[C@@H]1CCOC1	817939562	COVDUSDHLBEFNM-BJJXKVORSA-N	277.412	1.767	10	20	CDCD	
COC(=O)[C@@H]1COCCN1Cc1cc(Cl)c(C)cc1O	824790604	ZQITYFZSNMRLKX-LBPRGKRZSA-N	299.754	1.728	10	20	CDCD	
COCC[C@H](CO)NCc1cc(Cl)c(C)cc1O	825773735	OOMXLDYUMBVMPW-LLVKDONJSA-N	273.760	1.841	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)C(=O)c1ccc[nH]1	821230919	XMQWOBLWUDJAGG-UHFFFAOYSA-N	258.277	1.562	10	20	CDCD	
COc1cccc(CN2CCC[C@H](n3ccnn3)C2)c1O	822504567	VPWXZUFRSQONKT-ZDUSSCGKSA-N	288.351	1.829	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)C[C@H]2CCCN2)c1	828667137	MWQVZAVVJYAZHJ-WDEREUQCSA-N	278.352	1.720	10	20	CDCD	
NC1CC(NCc2ccc(N3CCOCC3)c(F)c2)C1	906509282	FLKUSFZARRTSBP-UHFFFAOYSA-N	279.359	1.242	10	20	CDCD	
COc1ccc(CNC(=O)CC[C@H]2CCNC2)c(O)c1	832178611	UBUCCXFWDOTKGH-NSHDSACASA-N	278.352	1.407	10	20	CDCD	
CN(C)c1ccc([C@@H](N)CNC(=O)COCC2CC2)cc1	832300149	NHHGQTHFDVZHFM-HNNXBMFYSA-N	291.395	1.295	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)c1cc([N+](=O)[O-])c[nH]1	749022219	OCUCZHVSPQMWAQ-UHFFFAOYSA-N	277.236	1.264	10	20	CDCD	
COC(=O)COc1ccc(N(C)Cc2cnsn2)cc1	846853393	VKLPEZPPUMVGDZ-UHFFFAOYSA-N	293.348	1.726	10	20	CDCD	
CN1C(=O)CC[C@H]1C(=O)NCc1cc(Cl)ccc1O	846472726	FCQVTIHBWUJZDY-JTQLQIEISA-N	282.727	1.283	10	20	CDCD	
Oc1c(F)cccc1CN1CC[C@@H]2NCC[C@H]2C1	843127490	RRFQFIXYBNAJFS-GWCFXTLKSA-N	250.317	1.715	10	20	CDCD	
COCCNCc1ccc(Br)cc1O	691394309	CGLXXYXLJWRRSI-UHFFFAOYSA-N	260.131	1.891	10	20	CDCD	
C[C@@H](NC[C@@H]1COCCO1)c1cc([N+](=O)[O-])ccc1O	756433768	HIKSJZHZZBCVHZ-MWLCHTKSSA-N	282.296	1.366	10	20	CDCD	
CC1(C)CNC(=O)[C@@H]1NCCCSc1nccs1	925101473	IADOQXBVTNAFGY-VIFPVBQESA-N	285.438	1.740	10	20	CDCD	
CC(C)N1CC[C@H](OC(=O)c2cccc(O)c2O)C1=O	758547485	LVBQECHLZJVMIZ-NSHDSACASA-N	279.292	1.264	10	20	CDCD	
CO[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)CCO1	931035460	NQJUSVRFTWKWKO-INIZCTEOSA-N	292.379	1.328	10	20	CDCD	
CCC[C@H](CCO)NC(=O)c1ccc(C)c(O)c1O	869866794	NXNWMNNODHMHCE-SNVBAGLBSA-N	267.325	1.687	10	20	CDCD	
O=C(NCc1cc(Cl)ccc1O)c1cn(C2CC2)nn1	862130606	KDNYPIMUTULCFI-UHFFFAOYSA-N	292.726	1.902	10	20	CDCD	
COC(=O)C(C)(C)N(C)Cc1cccc(OC)c1O	769304666	ALFRWFWDPYCIBJ-UHFFFAOYSA-N	267.325	1.784	10	20	CDCD	
O=C(NCCSCCCO)c1cc(O)cs1	769227033	DQUVMUOUJSVUEB-UHFFFAOYSA-N	261.368	1.299	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@H]2[C@H]3CCCO[C@H]32)cc1	779746999	MXZLZROEAXUNAA-RBSFLKMASA-N	274.364	1.794	10	20	CDCD	
Cc1ccc(CN[C@@H](C)CC[S@](C)=O)c(O)c1	877090655	WXBLEQULVJAUOU-GTNSWQLSSA-N	255.383	1.947	10	20	CDCD	
Cc1cccc(O)c1CN1CCC[C@H]1C(=O)NC1CC1	876595770	KOTVJCSMKMJZMT-AWEZNQCLSA-N	274.364	1.944	10	20	CDCD	
COCCN(Cc1c(C)cccc1O)[C@@H](C)C(N)=O	876695993	NGWZWMBALMOCJQ-NSHDSACASA-N	266.341	1.023	10	20	CDCD	
O=C(NCCc1cnccn1)NCc1ccccc1O	774782691	UXKKZHWALDRRBE-UHFFFAOYSA-N	272.308	1.224	10	20	CDCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@H]1C[C@H]1F	1120990035	DLHAPHGNYOHMOE-NWDGAFQWSA-N	296.317	1.637	10	20	CDCD	
CC[C@@H](CN1CCOCC1)NCc1c(C)cccc1O	896618229	NVVAJZNMLIVARY-AWEZNQCLSA-N	278.396	1.901	10	20	CDCD	
COC/C=C\C(=O)NCc1ccc(N2CCOCC2)cc1	791336216	MFLBVGVGAKBOPF-IHWYPQMZSA-N	290.363	1.342	10	20	CDCD	
COC(=O)N(C)CCNCc1ccc2c(c1)CCO2	689578061	XSFPQMSRILDZDV-UHFFFAOYSA-N	264.325	1.409	10	20	CDCD	
CCc1c(C(=O)NCc2ccccc2O)cnn1C	748345846	POTGODMSAVDZMO-UHFFFAOYSA-N	259.309	1.618	10	20	CDCD	
CCc1cccc(CN2CCN(C(=O)OC)CC2)c1O	709322000	WGTUDZGHBDAVBQ-UHFFFAOYSA-N	278.352	1.839	10	20	CDCD	
C=CC(=O)N1CCN(c2ccc(OC)c(F)c2)CC1	1336702098	ODGDDDRWIGVDQK-UHFFFAOYSA-N	264.300	1.669	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)c1cncs1	762263227	BRXZPDJMIAKEHQ-UHFFFAOYSA-N	264.306	1.527	10	20	CDCD	
COc1cccc(O)c1CN(C)CCN1CCOCC1	769307856	KUYNEHXBJCOTJW-UHFFFAOYSA-N	280.368	1.165	10	20	CDCD	
CCOc1ccc(CNCC[C@H](C)NC)c(O)c1	1261370603	NZILNRGMWUWUSQ-NSHDSACASA-N	252.358	1.879	10	20	CDCD	
CN1CCC[C@@H](N2CCN(Cc3ccc(N)cc3)CC2)C1	1345160081	QSJVWVMOICYDAD-QGZVFWFLSA-N	288.439	1.481	10	20	CDCD	
C[C@@H](CCN)NCc1ccc(N2CCN(C)CC2)c(F)c1	1348515021	IMFHQSGFBQMGOS-ZDUSSCGKSA-N	294.418	1.404	10	20	CDCD	
O=C(O)[C@@H]1COCCN1Cc1c(O)ccc(Cl)c1F	1601853186	VDZHHWXTLFDAHY-VIFPVBQESA-N	289.690	1.470	10	20	CDCD	
C[C@@H]1[C@@H](C(=O)O)CCN1Cc1cc2c(cc1O)OCO2	1609835549	URXXFIXWXLEXIA-SCZZXKLOSA-N	279.292	1.416	10	20	CDCD	
O=C(NCc1cc(Cl)ccc1O)NC1CC(C(=O)O)C1	1601531463	XEVQEARYXIVAPZ-UHFFFAOYSA-N	298.726	1.708	10	20	CDCD	
CC[C@@H](NCCOC)c1cccc(-c2nn[nH]n2)c1O	1604052960	ADXZAULXJDLGGT-LLVKDONJSA-N	277.328	1.259	10	20	CDCD	
O=C(NCc1cc(Cl)ccc1O)NC[C@H]1C[C@H]1C(=O)O	1601530954	FFZIEEIGBDDLIC-GMSGAONNSA-N	298.726	1.566	10	20	CDCD	
C[C@H]1[C@@H](C(N)=O)CC[C@@H](C)N1C(=O)Cc1ccc(N)cc1	1576647229	MNJWTBYPZXSRPX-SUNKGSAMSA-N	289.379	1.312	10	20	CDCD	
CC(C)c1ncc(S(=O)(=O)NCc2ccc(N)cc2)[nH]1	1575870846	VXOWTEHQMOMIKF-UHFFFAOYSA-N	294.380	1.594	10	20	CDCD	
Cc1ccc(C(=O)N2C[C@@H](C)C[C@@H](C(=O)O)C2)c(O)c1O	1594344730	NKUKUVCGHDRHDF-WCBMZHEXSA-N	293.319	1.589	10	20	CDCD	
COc1ccc(N2CCCN(C(=O)CC(=O)O)CC2)cc1	1599585582	FECWJFXTEFPBSA-UHFFFAOYSA-N	292.335	1.209	10	20	CDCD	
C[C@H]1C[C@](NCc2ccc(N(C)C)cc2)(C(=O)O)CCO1	1776599415	AGWAWBLKXHYFTN-LRDDRELGSA-N	292.379	1.865	10	20	CDCD	
Cn1ncnc1NC(=O)NCCCSc1nccs1	161763362	FRFCQVQOFQPBSJ-UHFFFAOYSA-N	298.397	1.576	10	20	CDCD	
CS[C@@H]1CN(C(=O)Nc2ccc(N)cc2)C[C@H]1N(C)C	841295587	CAZMWEQMHAUAJU-CHWSQXEVSA-N	294.424	1.778	10	20	CDCD	
C[C@H](NCc1ccc(N2CCCC2)cc1)C(=O)N(C)C	37267788	YJTIUQKQHUBSRA-ZDUSSCGKSA-N	275.396	1.853	10	20	CDCD	
COc1ccc(O)c([C@H](C)NCC(=O)NCC2CC2)c1	182404918	HSKRCYNRNFGRSK-JTQLQIEISA-N	278.352	1.578	10	20	CDCD	
CN1C[C@H](C(=O)NCCCSc2nccs2)CC1=O	114375670	PWOYQFBLFKMAKS-SECBINFHSA-N	299.421	1.220	10	20	CDCD	
C[C@H](O)[C@@H]1CCN(Cc2cc3c(cc2O)OCO3)C1	180869989	TWSIMHDGCLABGH-VHSXEESVSA-N	265.309	1.324	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCCO1	183463396	FWTUDXPQQPFREZ-TVQRCGJNSA-N	265.309	1.324	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)c1cnn(C)c1N	181200561	ZLYMKKSMVCRTGF-UHFFFAOYSA-N	288.351	1.760	10	20	CDCD	
N[C@H]1CCN(Cc2cc(Br)ccc2O)C1	219829093	YNOJTPOEFWEWHQ-JTQLQIEISA-N	271.158	1.688	10	20	CDCD	
CCOc1cccc(CN2CC(C(=O)O)C2)c1O	86811210	KIYYIANXGUBUOK-UHFFFAOYSA-N	251.282	1.307	10	20	CDCD	
O=[N+]([O-])c1ccc(O)c(CNCCOCC(F)F)c1	190889466	IKGBQJSIXGGVQR-UHFFFAOYSA-N	276.239	1.672	10	20	CDCD	
O=C1NC(=S)NC(=O)C1=CNc1cc(Cl)ccc1F	48403150	DOJUNXZUFUEMBN-UHFFFAOYSA-N	299.714	1.306	10	20	CDCD	
C[C@H]1CCN(C(=O)NCc2ccc(N(C)C)cc2)[C@@H]1CO	191044758	ISVQPPZGOWBEMO-SWLSCSKDSA-N	291.395	1.665	10	20	CDCD	
COc1cccc(CN2CC(=O)N[C@H]3CCCC[C@@H]32)c1O	92703348	WXGYLWFWEPDFRR-STQMWFEESA-N	290.363	1.644	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@H]2CCNC2)cc1F	237085229	WZYSQJFTNWURCV-NSHDSACASA-N	265.332	1.117	10	20	CDCD	
COC(=O)[C@@]1(C)CCN(Cc2cc3c(cc2O)OCO3)C1	268499908	XBVNUUOFCHGBTM-HNNXBMFYSA-N	293.319	1.506	10	20	CDCD	
CC(C)[C@@H](CO)N[C@@H](C)c1cc([N+](=O)[O-])ccc1O	273619902	YRVYRUBOTCNIKD-JOYOIKCWSA-N	268.313	1.968	10	20	CDCD	
C[C@H](N)[C@@H](C)C(=O)NCc1ccc(N2CCOCC2)cc1	277031958	IYBMWSKEYBBIDN-OLZOCXBDSA-N	291.395	1.123	10	20	CDCD	
CO[C@@H](C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)C1CC1	280416732	WVRXVDKKIPWNEC-LKFCYVNXSA-N	279.336	1.570	10	20	CDCD	
C[C@H]1CN(C[C@@H](C)O)CCN1Cc1cccc(Cl)c1O	281129854	YEKPLKSSWVHKDE-NWDGAFQWSA-N	298.814	1.933	10	20	CDCD	
Oc1cccc2c1[C@@H](NCCCN1CCC(O)CC1)CC2	295939446	KVNHNMRMZMNGOT-HNNXBMFYSA-N	290.407	1.816	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN(C)C[C@H](C)O)c1O	291063863	KILQZGAMMVDRHQ-QMMMGPOBSA-N	270.285	1.122	10	20	CDCD	
COc1ccc(O)c(CNC(=O)CCc2cncnc2)c1	815834901	DZGMCQNDIYEMAE-UHFFFAOYSA-N	287.319	1.440	10	20	CDCD	
CC(C)(CN1CCOCC1)C(=O)NCc1ccccc1O	821056453	ZKJNUMWFKHLTAN-UHFFFAOYSA-N	292.379	1.367	10	20	CDCD	
COc1cccc(O)c1CNC[C@@H]1CCOC[C@@H]1OC	824709197	OOWTTXQAPQXADK-NHYWBVRUSA-N	281.352	1.542	10	20	CDCD	
COC(=O)NC1CCN(Cc2cccc(OC)c2O)CC1	827933945	GDBANNAQANYKFG-UHFFFAOYSA-N	294.351	1.721	10	20	CDCD	
O=C(NCC[C@H](O)C1CCCC1)c1cccc(O)c1O	831390778	VFPWARZTCGMCNR-LBPRGKRZSA-N	279.336	1.769	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1CCOC[C@@H]1C(=O)O	901987647	LBPBCYRGVPCEPF-CQSZACIVSA-N	278.352	1.346	10	20	CDCD	
CN(C)CCN(C(=O)Cc1ccc(N)cc1)C1CC1	832158980	VIBTXQCCEDJADD-UHFFFAOYSA-N	261.369	1.364	10	20	CDCD	
C[C@@H]1CN(c2ccc(/C=C/C(=O)O)cc2[N+](=O)[O-])C[C@H]1O	833635582	VZLMEUHQTNXPNA-LESDTJSZSA-N	292.291	1.510	10	20	CDCD	
COc1cc(O)c(CN[C@H]2CCNC2(C)C)cc1OC	841085432	CFPXEXBYMQRSEP-AWEZNQCLSA-N	280.368	1.640	10	20	CDCD	
COC1(CNC(=O)NCc2ccccc2O)CCOCC1	746801216	OSHGIUXGMLSNCC-UHFFFAOYSA-N	294.351	1.387	10	20	CDCD	
COc1cc(O)c(CN2CCC[C@H](C)[C@@H]2CN)cc1OC	843051761	LNFNBNGTZMRYDJ-AAEUAGOBSA-N	294.395	1.969	10	20	CDCD	
CCc1cccc(CN(CCOC)CCC(=O)OC)c1O	848885854	AZUQXCLIOAVTIR-UHFFFAOYSA-N	295.379	1.966	10	20	CDCD	
NC[C@@H]1CN(Cc2cccc(Cl)c2O)CCO1	843065674	OKNZWNYOMCRPRM-SNVBAGLBSA-N	256.733	1.205	10	20	CDCD	
COCCOC[C@H](C)NCc1ccc(N(C)C)cc1	742376671	BFHCDVWDWWHAFN-ZDUSSCGKSA-N	266.385	1.894	10	20	CDCD	
C[C@H](NCc1cc2c(cc1O)OCO2)[C@@H]1CCCNC1	841032744	GDEYTIDEZNGSMW-WDEREUQCSA-N	278.352	1.599	10	20	CDCD	
Oc1c(Cl)cccc1CN1CCN([C@H]2CCNC2)CC1	843125138	XBYQBYNAXKOBKN-ZDUSSCGKSA-N	295.814	1.525	10	20	CDCD	
Cc1nc(CN(C)c2ccc(OCC(=O)O)cc2)n[nH]1	846279424	DLVVXTYROURTBV-UHFFFAOYSA-N	276.296	1.213	10	20	CDCD	
CCN(CC)C(=O)CNC(=O)N(C)Cc1ccccc1O	920813898	VFUSEQWUJQFNNF-UHFFFAOYSA-N	293.367	1.402	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NCCOCCF)cc1	852715458	NYUZVRHZXMGLIV-UHFFFAOYSA-N	283.347	1.538	10	20	CDCD	
CCN(C)c1ccc(CN2CCC(O)(CO)CC2)cc1	852500146	IJFBEAJHQVJRPW-UHFFFAOYSA-N	278.396	1.462	10	20	CDCD	
COc1ccnc(COC(=O)c2cccc(O)c2O)c1	758582999	VNKXLRWEOIVDRE-UHFFFAOYSA-N	275.260	1.858	10	20	CDCD	
C[C@@H](NC(=O)NCc1nccn1C)c1ccccc1O	868282137	SOCRHYKSHQRMPN-SNVBAGLBSA-N	274.324	1.686	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)Cc1cnc[nH]1	935944614	VXFDULXAQDTEGL-UHFFFAOYSA-N	280.324	1.460	10	20	CDCD	
COc1cccc(O)c1CN1CCC(CNC(C)=O)CC1	769058214	AOLIHYXTAXCGTK-UHFFFAOYSA-N	292.379	1.749	10	20	CDCD	
Cc1cc(CNC(=O)CO)c(C)n1-c1ccccc1	863166060	RAYMLNRQDLSBQG-UHFFFAOYSA-N	258.321	1.703	10	20	CDCD	
COC(=O)[C@@H]1[C@@H](O)CCCN1Cc1ccc(C)cc1O	877460626	VIALJLNNHLRYIR-JSGCOSHPSA-N	279.336	1.199	10	20	CDCD	
CC[C@](C)(CO)NC(=O)c1ccc(C)c(O)c1O	782023236	DSGRIRWCWRRSDD-CYBMUJFWSA-N	253.298	1.297	10	20	CDCD	
CC(C)[C@@H](NC(=O)NCc1ccc(N(C)C)cc1)C(=O)O	780348946	BQVAZNQAPFXIFX-CYBMUJFWSA-N	293.367	1.661	10	20	CDCD	
COc1cc(C)cc(CNC[C@@H](O)c2cnn(C)c2)c1O	894315496	JIKLZWCVUBKCSY-CYBMUJFWSA-N	291.351	1.266	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNCCCCO)c1O	787296179	JJODUDAGRLXJSN-UHFFFAOYSA-N	270.285	1.171	10	20	CDCD	
Cc1cc(O)c(CN2C[C@@H](O)C[C@@]2(C)CO)cc1Cl	895326208	VZWLMOBAKHAJKE-FZMZJTMJSA-N	285.771	1.672	10	20	CDCD	
COc1ccc(CNC[C@H](O)C2CCC2)c(O)c1OC	894775857	FLVOHQYLYZVHMB-LBPRGKRZSA-N	281.352	1.660	10	20	CDCD	
O=C1CN(Cc2c(O)ccc(Cl)c2F)CCCN1	792166442	ANKPCJNQXPLSQF-UHFFFAOYSA-N	272.707	1.507	10	20	CDCD	
CC[C@@H](C(=O)NCc1ccc(OC)cc1O)C(=O)OC	794376968	NXOLGSWODRLULJ-NSHDSACASA-N	281.308	1.216	10	20	CDCD	
CN(CCN1CCCC1)Cc1cc2c(cc1O)OCO2	133915292	XSSZMMPYQWEUKN-UHFFFAOYSA-N	278.352	1.649	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@]1(F)CCOC1	1324089588	XAKWOZVRNJIEJM-OAHLLOKOSA-N	294.326	1.607	10	20	CDCD	
COc1ccc(CNC[C@@]2(O)CCSC2)c(O)c1OC	1333697731	KTEZXKRCELKDDK-AWEZNQCLSA-N	299.392	1.367	10	20	CDCD	
CC(=O)NCCN(C)Cc1cc(Cl)c(C)cc1O	1333945761	QYQCXDZQNIXPED-UHFFFAOYSA-N	270.760	1.922	10	20	CDCD	
Nc1ccc(CNC(=O)[C@H]2C[C@@]23CCCNC3)cc1	1342701443	YSUDDKPLMNJURM-UKRRQHHQSA-N	259.353	1.275	10	20	CDCD	
CNc1ccc(NC(=O)Cc2ccc(O)c(O)c2)cn1	1578758743	MZHLSDZQOGWEKT-UHFFFAOYSA-N	273.292	1.716	10	20	CDCD	
CCOC(=O)[C@@H](C(=O)NCc1ccc(N)cc1)C(C)C	1577905196	KBHZFORXJAYTRQ-CYBMUJFWSA-N	278.352	1.720	10	20	CDCD	
O=C(Cc1ccc(O)c(O)c1)N[C@H]1CCC[C@H]1C(=O)O	1594707958	XVTKYPLWFOZANM-ZJUUUORDSA-N	279.292	1.010	10	20	CDCD	
CC(C)(C)OC[C@H](NCc1ccc2c(c1)CCO2)C(=O)O	1776263023	AREBSBNRVMHHJB-ZDUSSCGKSA-N	293.363	1.979	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@]1(F)CCNC1	169104892	WKTIPWXMWZVFHI-HNNXBMFYSA-N	279.359	1.379	10	20	CDCD	
c1cc2c(cc1CNC[C@@H]1CNCCO1)CCCO2	258890317	KAGOSDFRIYCFGA-AWEZNQCLSA-N	262.353	1.090	10	20	CDCD	
CN(CCN1CCCCC1)C(=O)Cc1ccc(N)cc1	846701250	SOIHLCIGSKPFDP-UHFFFAOYSA-N	275.396	1.756	10	20	CDCD	
CCOc1cccc(CN2C[C@H](CN)C[C@@H]2C)c1O	216059049	CCNKSURQSBEUHJ-RYUDHWBXSA-N	264.369	1.960	10	20	CDCD	
Oc1ccc(Cl)cc1CNC[C@@H]1CN2CCC[C@H]2CO1	252667182	GIANITUMOFASPP-UONOGXRCSA-N	296.798	1.998	10	20	CDCD	
CS(=O)(=O)CCCN[C@H]1CCc2cccc(O)c21	310759320	AOCZLJDDOAWTMI-NSHDSACASA-N	269.366	1.404	10	20	CDCD	
Cc1nnc(CNC(=O)c2cccc(O)c2O)s1	392094327	HHOVIDMLZKEJBM-UHFFFAOYSA-N	265.294	1.188	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)c1cn(C2CC2)nn1	860048627	YNYFGJQCIWCEOL-UHFFFAOYSA-N	272.308	1.591	10	20	CDCD	
C[C@@H](C(=O)NCc1ccc2c(c1)CCCN2C)n1cncn1	58769613	ZSKMJHZAVWXEDL-LBPRGKRZSA-N	299.378	1.538	10	20	CDCD	
COc1cccc(O)c1CN1CC[C@@H](CS(C)(=O)=O)C1	814175504	JRMCZVDSTLDINY-LLVKDONJSA-N	299.392	1.267	10	20	CDCD	
COc1cc(O)c(CN2CCC[C@@H](CO)C2)cc1OC	183371097	FLQLVUVKFIQDJO-LLVKDONJSA-N	281.352	1.614	10	20	CDCD	
Cc1ncncc1C(=O)NCCc1ccc(O)c(O)c1	122486865	OAPOVCMXTGMWHD-UHFFFAOYSA-N	273.292	1.169	10	20	CDCD	
CN1CCC(NC(=O)N(C)Cc2ccccc2O)CC1	79205798	KWFURISUQFSQTH-UHFFFAOYSA-N	277.368	1.628	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1csnn1	79373664	PUDDQWDRVNMCNG-UHFFFAOYSA-N	276.365	1.876	10	20	CDCD	
COc1cccc(CN2CCS(=O)(=O)CC[C@H]2C)c1O	192056135	GMAPFUPRUVNURK-LLVKDONJSA-N	299.392	1.410	10	20	CDCD	
COc1ccc(CNCc2cc3c(cc2O)OCO3)cn1	42879543	VERZQDUVTAZNOI-UHFFFAOYSA-N	288.303	1.814	10	20	CDCD	
O=C(Nc1nc2c(s1)COCC2)c1cccc(O)c1O	193014760	HIQKGXYJHAXBPI-UHFFFAOYSA-N	292.316	1.879	10	20	CDCD	
CNC(=O)[C@@H]1CCCN(Cc2ccc(N(C)C)cc2)C1	93360404	DFQNYOCNZONWEH-CQSZACIVSA-N	275.396	1.711	10	20	CDCD	
Nc1ccc(CCNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2)cc1	237944740	ZJBARWMJVKJEPY-BPUTZDHNSA-N	287.407	1.848	10	20	CDCD	
CCN(CC)C(=O)CCC(=O)NCCc1ccc(N)cc1	237006641	MVYRDAOYWMSAMB-UHFFFAOYSA-N	291.395	1.576	10	20	CDCD	
C[C@H]1CN(Cc2cc(F)ccc2O)CC[S@](=O)C1	277636359	YDUQVNRROUAJDB-YPMLDQLKSA-N	271.357	1.732	10	20	CDCD	
CCOC1CC(O)(CN[C@@H](C)c2cc(OC)ccc2O)C1	278460524	MMQJMICFDIJKDB-XOMBGVMMSA-N	295.379	1.981	10	20	CDCD	
CN(C)[C@H]1CCC[C@H](NC(=O)c2c(F)ccc(O)c2O)C1	276637601	ULTJSVJXYUDJEN-UWVGGRQHSA-N	296.342	1.840	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)/C=C/c1c[nH]cn1	276674456	ZRIGJECTOHMRIQ-ZZXKWVIFSA-N	298.346	1.915	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC[C@H](O)c2cnn(C)c2)c1	273460905	CQWVZAXEUSOEDU-BONVTDFDSA-N	291.351	1.519	10	20	CDCD	
COC[C@@H](NCc1ccccc1O)[C@H]1CCCO1	278555239	BVRWNMUNRTZABO-TZMCWYRMSA-N	251.326	1.676	10	20	CDCD	
Oc1ccccc1CN1CCOC[C@@H]1c1ncon1	378542826	PATPVMNJCQFGDA-LLVKDONJSA-N	261.281	1.349	10	20	CDCD	
COc1cc(Cl)cc(CN2CC(=O)NCC2(C)C)c1O	282740049	MZXMYFXOIPRFPU-UHFFFAOYSA-N	298.770	1.765	10	20	CDCD	
COCCCCCNC(=O)c1c(F)ccc(O)c1O	294769908	BTTOPLSWNUYMMV-UHFFFAOYSA-N	271.288	1.783	10	20	CDCD	
Oc1cccc2c1[C@H](NC[C@@H]1CN3CCC[C@H]3CO1)CC2	386753993	FAAGUCOJEFLZBH-RRFJBIMHSA-N	288.391	1.832	10	20	CDCD	
Cc1ccc(C(=O)NC[C@H](C)CCCO)c(O)c1O	296007896	LAADNFUHXMRDGC-SECBINFHSA-N	267.325	1.545	10	20	CDCD	
Cn1ncc(CCCNCc2ccc3c(c2)CCO3)n1	292973783	MNSHTANDGDPMKP-UHFFFAOYSA-N	272.352	1.472	10	20	CDCD	
CC1(C)CNC(=O)CN1Cc1cc(F)ccc1O	800539257	UBUWRSJMDBZZGJ-UHFFFAOYSA-N	252.289	1.242	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC[C@@H](N)C2CC2)c1	817965770	VBYFWBHJQCGXLN-NOZJJQNGSA-N	250.342	1.789	10	20	CDCD	
COc1cc(Cl)cc(CN2CCCN(C=O)CC2)c1O	827871729	IDKNOSSLHHSSCV-UHFFFAOYSA-N	298.770	1.718	10	20	CDCD	
C[C@@H](CNCc1ccc(N(C)C)c(F)c1)N(C)C	824987799	ATJWAFORZVDTMK-NSHDSACASA-N	253.365	1.931	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@H](C)CN)c1	828667522	RUIJAZGJDAJIBA-RKDXNWHRSA-N	252.314	1.173	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)C[C@@H](C)N)cc1	827341169	UBCJHGHPMAXTRI-GFCCVEGCSA-N	263.385	1.886	10	20	CDCD	
CN(Cc1nccn1C)C(=O)c1cc(O)cs1	734178407	SJQSIDTWZSULBS-UHFFFAOYSA-N	251.311	1.459	10	20	CDCD	
CCOc1ccc(O)c(CN[C@@H]2CCC[C@H]2O)c1	835080908	ZGPUMEOMWJZPAR-TZMCWYRMSA-N	251.326	1.794	10	20	CDCD	
CN(Cc1cnn(C)c1)C(=O)c1cc(O)cs1	731867774	VFWNIMOVVRIOQE-UHFFFAOYSA-N	251.311	1.459	10	20	CDCD	
O=C(NCc1nccs1)NCc1ccccc1O	748459259	FAOYTFLTLVGTBE-UHFFFAOYSA-N	263.322	1.848	10	20	CDCD	
COc1ccc(N(C)C[C@H](O)COC[C@H]2CCCO2)cc1	844353611	RTKIYMLCIBMSSP-GOEBONIOSA-N	295.379	1.688	10	20	CDCD	
Nc1ccc(NC(=O)C(=O)NCC[C@@H]2C[C@H]3C=C[C@H]2C3)cc1	848601977	NAPSNCXKYDYWMX-RWMBFGLXSA-N	299.374	1.926	10	20	CDCD	
CCn1ncnc1CNCc1ccc(N(C)C)cc1C	840940719	CNDWQCLKNIUGLZ-UHFFFAOYSA-N	273.384	1.962	10	20	CDCD	
COC[C@@H](CN[C@H](C)c1cccc(OC)c1O)OC	846166500	XZEMNOQPPUMATP-GHMZBOCLSA-N	269.341	1.713	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)NC[C@H](C)C(=O)O)c1	848585071	FVXUTZIUNKIWPS-IUCAKERBSA-N	296.323	1.482	10	20	CDCD	
C[C@@H]1C[C@H](NC(=O)N(C)Cc2ccccc2O)CCN1	841990070	XYELTMKXIIZFBK-DGCLKSJQSA-N	277.368	1.674	10	20	CDCD	
CCc1cccc(CN2CCC[C@@H](O)[C@H]2C(=O)OC)c1O	848905364	JOVHZIDMOXNELV-KGLIPLIRSA-N	293.363	1.453	10	20	CDCD	
CCOc1ccc(O)c(CN2CC[C@@H]3CNC[C@@H]32)c1	841026875	UHOIWPCXSSDLTP-RISCZKNCSA-N	262.353	1.585	10	20	CDCD	
CSCCNC(=S)NCCc1ccc(O)c(O)c1	752726966	IGQDARHXIIGQDL-UHFFFAOYSA-N	286.422	1.467	10	20	CDCD	
CCCOC(=O)[C@@H](C)OC(=O)/C=C/c1ccc(O)c(O)c1	759588415	LHSIFEUUUFHVLL-BREXMAIKSA-N	294.303	1.996	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)NCCN(C)OC)c1	850479058	KWHLAKMGGCEDQD-SNVBAGLBSA-N	282.340	1.323	10	20	CDCD	
Cc1nc(CCN[C@@H](C)c2cc(F)cc(F)c2O)n[nH]1	757639865	VJHSIUWTCRDEEO-ZETCQYMHSA-N	282.294	1.990	10	20	CDCD	
N[C@@]12CCC[C@@H]1CN(Cc1cc3c(cc1O)OCO3)C2	857226388	MTYLEFNJZAVLRM-IAQYHMDHSA-N	276.336	1.434	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CN2CC[C@@H]3C[C@@H]3C2)cc1	852634587	IDTAUOPMFHHOOZ-HUUCEWRRSA-N	287.407	1.711	10	20	CDCD	
CCN(Cc1nc(=O)n(C)[nH]1)c1ccc(OC)cc1	754059465	JDAQZAPAYRFPPR-UHFFFAOYSA-N	262.313	1.144	10	20	CDCD	
CCS(=O)(=O)NCCCN(C)c1ccc(N)cc1	863558323	FPGFTGQIRNKGSY-UHFFFAOYSA-N	271.386	1.034	10	20	CDCD	
COc1cccc(CNC(=O)/C=C\C2CCOCC2)c1O	769507473	IGOGSPBJOHHHRU-WAYWQWQTSA-N	291.347	2.000	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)NC[C@H](C)O	765499919	MXILGRPJVFXUHZ-NSHDSACASA-N	265.357	1.241	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)C(=O)OC(C)(C)C)c1	863499208	RPGZZUUISGLLQG-UHFFFAOYSA-N	265.309	1.659	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)c1cn2ccccc2n1	767772490	AVGVFKRQVMQTBZ-UHFFFAOYSA-N	297.314	1.718	10	20	CDCD	
C=CC(=O)NCCC(=O)NCc1cc(C)ccc1O	862757852	GRCAJBHUPGPVDZ-UHFFFAOYSA-N	262.309	1.009	10	20	CDCD	
Cc1cccc(O)c1CNC[C@@H](C)CN1CCN(C)CC1	877017968	YFEHPBADGBIGSJ-CQSZACIVSA-N	291.439	1.674	10	20	CDCD	
CC1(C)NC(=O)N(Cc2ccc(N3CC=CC3)cc2)C1=O	761363127	QSAUYRYVNWUFES-UHFFFAOYSA-N	285.347	1.893	10	20	CDCD	
COC(=O)CN[C@H](C)c1ccc(N2CCOCC2)cc1	775258757	ATDPCEOFKVGFGG-GFCCVEGCSA-N	278.352	1.347	10	20	CDCD	
CC(C)(c1nc(Cc2ccc(N)cc2)no1)S(C)(=O)=O	1118243558	WSIDLTITCZDDIG-UHFFFAOYSA-N	295.364	1.522	10	20	CDCD	
C[C@@H]1CCN(S(=O)(=O)Nc2ccc(O)cc2)C1	777905820	PCWUVZUXBDFCRJ-SECBINFHSA-N	256.327	1.391	10	20	CDCD	
CCCCS(=O)(=O)CC(=O)NCc1ccc(N)cc1	1122445202	ONLHMVKNKGOLEL-UHFFFAOYSA-N	284.381	1.100	10	20	CDCD	
Cc1cc(NC(=O)c2c(F)ccc(O)c2O)n(C)n1	789958708	IPUNHQYARQWXRS-UHFFFAOYSA-N	265.244	1.531	10	20	CDCD	
COc1ccc(CN[C@@H]2C[C@H]3CC[C@@H]2O3)c(O)c1OC	895146121	BKHUMHUGRNQDLG-UTUOFQBUSA-N	279.336	1.819	10	20	CDCD	
COc1cc(C)cc(CN[C@@H](CO)C[C@@H]2CCCO2)c1O	895747404	HLNZUOTZHRMZEX-KGLIPLIRSA-N	295.379	1.729	10	20	CDCD	
COc1cc(C)cc(CN2CCNC(=O)[C@H]2C(C)C)c1O	894001624	KIFHGCMDYFPHNU-CQSZACIVSA-N	292.379	1.666	10	20	CDCD	
CCc1cc(C(=O)NCc2cc(OC)ccc2O)no1	896360429	CTBRKLHAKPFKFR-UHFFFAOYSA-N	276.292	1.881	10	20	CDCD	
CCOc1cccc(CN2C[C@H](C)[C@@H](O)C2)c1O	897684049	JXGBVSSGDVOKPB-JQWIXIFHSA-N	251.326	1.604	10	20	CDCD	
NC(=O)[C@@H]1CCN(Cc2ccc(N3CCCC3)cc2)C1	1204327230	MKQFIPNADYEUGR-CQSZACIVSA-N	273.380	1.594	10	20	CDCD	
O=C(CCNCc1c(O)cccc1Cl)N1CCOCC1	134652706	LCQYYJOBQNOMMW-UHFFFAOYSA-N	298.770	1.384	10	20	CDCD	
COc1ccc(O)c(CNCC(=O)NCC(C)C)c1	135777245	MWTDAQOOHAHHME-UHFFFAOYSA-N	266.341	1.263	10	20	CDCD	
COc1cccc([C@@H](C)NCC(=O)NCC(C)C)c1O	1329675553	PUZRKAZFVJWTHX-LLVKDONJSA-N	280.368	1.824	10	20	CDCD	
C[C@H](O)[C@H]1CCCN(C(=O)c2cccc(O)c2O)C1	688865414	XOGTVUVSXPHYLC-UWVGGRQHSA-N	265.309	1.331	10	20	CDCD	
COC(=O)c1cnc(SCCc2cnn[nH]2)s1	1330280610	RLCDOSMACKJRTM-UHFFFAOYSA-N	270.339	1.383	10	20	CDCD	
COC[C@H](NC(=O)NCc1ccc(N)cc1)C1CC1	1353379401	YVHOYIYPDJROJZ-ZDUSSCGKSA-N	263.341	1.493	10	20	CDCD	
O=C(O)[C@H]1COCCN1Cc1c(O)ccc(Cl)c1F	1601853185	VDZHHWXTLFDAHY-SECBINFHSA-N	289.690	1.470	10	20	CDCD	
CO[C@@H](C)CCN[C@H](C)c1cccc(-c2nn[nH]n2)c1O	1591322424	QNUGKYYCWOSAJH-VHSXEESVSA-N	291.355	1.648	10	20	CDCD	
COCCN(C/C=C/C(=O)O)c1ccc(OC)c(OC)c1	1777209992	RGEIAELOAPKXBY-SNAWJCMRSA-N	295.335	1.797	10	20	CDCD	
C[C@@H](Oc1cccnc1)C(=O)NCCc1ccc(N)cc1	152561274	CRHKEHCWGMBFSB-GFCCVEGCSA-N	285.347	1.790	10	20	CDCD	
COc1cccc(CNC(=O)CC2(O)CCCC2)c1O	155675304	JHMLJSHTXYWCGE-UHFFFAOYSA-N	279.336	1.712	10	20	CDCD	
C[C@@H]1CN(c2ccc(/C=C\C(=O)O)cc2[N+](=O)[O-])CCO1	207324105	QLBXYZOEAUBKOI-TZGMSPROSA-N	292.291	1.918	10	20	CDCD	
O=S(=O)(CCN[C@@H]1CCc2cccc(O)c21)C1CC1	840882701	JWEGDVWXSODIFI-GFCCVEGCSA-N	281.377	1.546	10	20	CDCD	
CS(=O)(=O)c1ccc(C(=O)Nc2ccc(N)cc2)cc1	21954049	MIMRPKRRDVCWBZ-UHFFFAOYSA-N	290.344	1.925	10	20	CDCD	
CC[C@H](NCC(=O)NCC(F)F)c1ccccc1O	271739582	VCODNIFCXQEAGK-JTQLQIEISA-N	272.295	1.814	10	20	CDCD	
COc1ccc(O)c([C@@H](C)N[C@H](C)c2nncn2C)c1	37017193	KJIOKISTMGKAPT-NXEZZACHSA-N	276.340	1.941	10	20	CDCD	
CCOc1cccc(CN[C@@H](C)c2ncn(C)n2)c1O	275827474	NSINDVRZWCVGEA-JTQLQIEISA-N	276.340	1.770	10	20	CDCD	
CC(C)[C@H]1CN(C(=O)c2cccc(O)c2O)CCCO1	294371703	KZSYVMUQMFSHRR-CYBMUJFWSA-N	279.336	1.985	10	20	CDCD	
CC(=O)N(C)CC(=O)NCc1ccc(N2CCCC2)cc1	28334969	WPXSTSXKGWTMJB-UHFFFAOYSA-N	289.379	1.381	10	20	CDCD	
CCOCCN1CCN(Cc2cc(OC)ccc2O)CC1	179669405	HNQVXDDPNWQVAK-UHFFFAOYSA-N	294.395	1.555	10	20	CDCD	
CC[C@H](C)NC(=O)[C@H](C)NC(=O)c1cccc(O)c1O	187037728	XNUNBNXFXJIHPK-IUCAKERBSA-N	280.324	1.131	10	20	CDCD	
CCO[C@H]1C[C@@H]1C(=O)NCc1ccc(O)c(O)c1	182532363	YTMTUBJROCJQNP-CABZTGNLSA-N	251.282	1.139	10	20	CDCD	
CC(C)(C)NC(=O)CNC(=O)CSc1nccs1	45058879	YKGYNHOYSJPGHT-UHFFFAOYSA-N	287.410	1.266	10	20	CDCD	
COc1cccc(CN2CCN(C(C)=O)CC2)c1O	131784216	ZRBIYEWAEHANNM-UHFFFAOYSA-N	264.325	1.065	10	20	CDCD	
CC(C)C[C@H](CO)NC(=O)NCc1ccc(N(C)C)cc1	265297622	FJOUWYMEVOPXLZ-CQSZACIVSA-N	293.411	1.959	10	20	CDCD	
CCCOc1ccc(CN(C)[C@H]2CCN(C)C2=O)c(O)c1	271191653	LVHLXDONSDBGKO-AWEZNQCLSA-N	292.379	1.844	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2CCC[C@@H](OC)C2)c1O	278178524	GOQQJHAMVSVVRG-LLVKDONJSA-N	296.323	1.920	10	20	CDCD	
C[C@H]1COCC[C@@H]1CNC(=O)/C=C/c1ccc(O)c(O)c1	286769846	IEQIPYGCXORERQ-OLEFQQMKSA-N	291.347	1.900	10	20	CDCD	
CC[C@@H](CNS(C)(=O)=O)NCc1cccc(C)c1O	294955244	DJVKPECTELSXPI-LBPRGKRZSA-N	286.397	1.118	10	20	CDCD	
Cn1c(NC(=O)c2cccc(O)c2O)nc2cccnc21	807259050	HADCHHMZXZRECP-UHFFFAOYSA-N	284.275	1.632	10	20	CDCD	
CN1CCCc2cc(CNC(=O)CCn3ccnc3)ccc21	299563734	AONSESZERKXPLK-UHFFFAOYSA-N	298.390	1.972	10	20	CDCD	
NC(=O)N[C@@H]1CCN(Cc2ccc3ccccc3c2O)C1	816521518	RIPZNMNXTUGWNY-CYBMUJFWSA-N	285.347	1.788	10	20	CDCD	
CN(C)c1cc(NC(=O)NCc2ccccc2O)ncn1	810220054	ORPNDNLYDYRXLA-UHFFFAOYSA-N	287.323	1.570	10	20	CDCD	
C[C@@H](NC(=O)C(=O)NCC1CC1)c1ccccc1O	827946840	SUGQHGKZMFWHMQ-SECBINFHSA-N	262.309	1.096	10	20	CDCD	
CCc1noc(COC(=O)c2ccc(C)c(O)c2O)n1	727005476	QQIDVANSPWDPKF-UHFFFAOYSA-N	278.264	1.709	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)NCC[C@@H](O)C2CC2)c1	903405931	GEIJFIGOLLIAHG-QMTHXVAHSA-N	293.363	1.990	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@H](O)c1cccnc1	731871943	RALXUOXURPKAPB-CQSZACIVSA-N	272.304	1.479	10	20	CDCD	
O=C(O)[C@H]1C[C@H]1C(=O)NCCCSc1nccs1	739546419	DZJONEZUKIJQFT-SFYZADRCSA-N	286.378	1.462	10	20	CDCD	
Oc1cccc2c1[C@H](NCCN1C[C@@H]3CC[C@H](C1)O3)CC2	834886682	FGJJIBBIVMFXRE-QLFBSQMISA-N	288.391	1.832	10	20	CDCD	
Cn1c(S)nnc1CCCNC(=O)c1cc(O)cs1	832877231	IXUUEFGXLVZNRQ-UHFFFAOYSA-N	298.393	1.234	10	20	CDCD	
Oc1cc2c(cc1CN1CC(C(F)F)C1)OCO2	839141628	UKVTYWQIXXNXLJ-UHFFFAOYSA-N	257.236	1.818	10	20	CDCD	
CO[C@@H]1COCC[C@@H]1CNC(=O)NCc1ccccc1O	836573894	KDAUECXPMFBQTC-TZMCWYRMSA-N	294.351	1.243	10	20	CDCD	
CCC(C)(C)OCC(=O)NCc1ccc(O)cc1O	910945352	SYBGRJBUMXJMHN-UHFFFAOYSA-N	267.325	1.919	10	20	CDCD	
COc1ccc([C@H]2NC3(CCCC3)C(=O)N2C)c(O)c1	742440259	SQRDKVRSMZVLHH-ZDUSSCGKSA-N	276.336	1.774	10	20	CDCD	
COc1ccc(O)c([C@H](C)NCC[C@]2(O)CCCOC2)c1	846107488	JHFDWFQTCZWYRV-BLLLJJGKSA-N	295.379	1.983	10	20	CDCD	
c1cc(N2CCOCC2)ccc1CNC[C@@H]1CCCCN1	841033196	PBJVCIDZBBLTJK-INIZCTEOSA-N	289.423	1.755	10	20	CDCD	
CNC[C@H]1CCCN1Cc1cc2c(cc1O)OCO2	843056145	UXKBXHXVYYTJIC-LLVKDONJSA-N	264.325	1.305	10	20	CDCD	
CCn1cnnc1CN[C@@H](C)c1cccc(OC)c1O	846140181	IFUNUNIFGDZRFE-JTQLQIEISA-N	276.340	1.863	10	20	CDCD	
Cc1ccc(O)c([C@H](C)NC[C@@H](O)CN2CCCC2)c1	756450623	SZZIGITXEJOVOL-UONOGXRCSA-N	278.396	1.808	10	20	CDCD	
COC[C@H](C)NCc1ccc(N2CCC(O)CC2)cc1	850406740	RRFFMUVKUBCBAB-ZDUSSCGKSA-N	278.396	1.772	10	20	CDCD	
CNC(=O)CCCN[C@H](C)c1cc(F)cc(F)c1O	756483755	PQIYOXQWIFQGCN-MRVPVSSYSA-N	272.295	1.847	10	20	CDCD	
COC[C@@H](NC(=O)NCc1cc(C)ccc1O)C1CC1	858311612	JXYHIUFBLQZGFU-CYBMUJFWSA-N	278.352	1.925	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1cc(=O)cc[nH]1	933814717	KSIBCOFWZSIKON-UHFFFAOYSA-N	299.330	1.480	10	20	CDCD	
COC(=O)[C@@]1(C)CCN(C(=O)c2cc(O)cs2)C1	760152910	YZNBKBGOLWWLOX-LBPRGKRZSA-N	269.322	1.479	10	20	CDCD	
Cc1cc(O)c(CN2CCN(C(C)(C)CO)CC2)cc1C	769445989	KFJQCCSJONJFGI-UHFFFAOYSA-N	292.423	1.898	10	20	CDCD	
Cc1cccc(O)c1CN1CCN(CC(C)(C)O)[C@H](C)C1	877460610	RMINJOUKHVYLMS-CQSZACIVSA-N	292.423	1.978	10	20	CDCD	
COc1ccc(O)c(CNC[C@H](OC)C2CCOCC2)c1	877034982	AOSHAKNAUVWMDA-INIZCTEOSA-N	295.379	1.932	10	20	CDCD	
Cc1cccc(O)c1CN1CC(=O)N[C@@H]2CCCC[C@H]21	876653378	YTJCLVXLIQZASL-ZIAGYGMSSA-N	274.364	1.944	10	20	CDCD	
CO[C@@]1(C)C[C@H]1NCc1ccc(N2CCC(O)CC2)cc1	877641057	VFTKLRKBZFBWOF-SJORKVTESA-N	290.407	1.915	10	20	CDCD	
CCN(C)c1ccc(CN2CCn3cnnc3C2)cc1	773755082	ABOSYIZHQLSECT-UHFFFAOYSA-N	271.368	1.750	10	20	CDCD	
CNc1snc(C)c1C(=O)NCc1ccc(O)c(O)c1	778926733	XDQHDROJLUKPIM-UHFFFAOYSA-N	293.348	1.834	10	20	CDCD	
C[C@H](NC(=O)N1C[C@H](O)C[C@H]1C)c1ccc(N(C)C)cc1	788320475	QMJXQWJLWOXTPC-TYNCELHUSA-N	291.395	1.978	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)Nc1cnnn1C	787790736	MZTFNRGQNKWJLG-UHFFFAOYSA-N	261.285	1.185	10	20	CDCD	
COC(=O)[C@H](CC(F)F)NCc1cccc(C)c1O	789580774	KSVLDIKPVTYJJH-JTQLQIEISA-N	273.279	1.987	10	20	CDCD	
CNC(=O)[C@H]1CCC[C@H]1NC(=O)c1ccc(C)c(O)c1O	780998877	CFKOFXZMKPMTEA-GXSJLCMTSA-N	292.335	1.051	10	20	CDCD	
CO[C@@H]1CCOC[C@H]1NCc1ccc(N(C)C)c(F)c1	897891562	HZGDWWHKTFHJHG-UKRRQHHQSA-N	282.359	1.785	10	20	CDCD	
Nc1ccc(NC(=O)N[C@@H](CO)C[C@@H]2CCCO2)cc1	886961913	ZYZQAEQDIXFARZ-OLZOCXBDSA-N	279.340	1.320	10	20	CDCD	
COc1cc(CN2CC[C@](C)(C(N)=O)C2)c(O)cc1C	794702180	FKATVURHOZBMFW-HNNXBMFYSA-N	278.352	1.407	10	20	CDCD	
C[C@@H](NC(=O)Cn1cc(C2CC2)nn1)c1ccccc1O	1329838257	YOWZZMXVVZXCGZ-SNVBAGLBSA-N	286.335	1.739	10	20	CDCD	
COc1ccc(O)c(CN2CCC(C)(N)CC2)c1	704537542	WNGFNAODLAGBBG-UHFFFAOYSA-N	250.342	1.714	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)C(=O)N1CC(C)(C)C1	1327010648	SHXKAFSJGMUPSV-UHFFFAOYSA-N	276.336	1.219	10	20	CDCD	
Cc1cc(N2CC[C@@H](NCc3ccc(N)cc3)C2=O)n(C)n1	1336284719	CCEOIOYCPRMGCS-CQSZACIVSA-N	299.378	1.206	10	20	CDCD	
COC[C@H](OC)C(=O)N(C)Cc1ccccc1O	691125194	XVONQYMSWYMNPP-LBPRGKRZSA-N	253.298	1.012	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)c1	1337362252	WBSSIUVMLNVTER-KCQAQPDRSA-N	291.347	1.368	10	20	CDCD	
CNC(=O)[C@@H](C)CN(C)Cc1cccc(OC)c1O	93899379	SMFBWAWIONKSAX-JTQLQIEISA-N	266.341	1.215	10	20	CDCD	
O=C(O)c1cncc(NCCc2ccc(O)c(O)c2)n1	1608982176	ZEBINSJCVQZZDH-UHFFFAOYSA-N	275.264	1.241	10	20	CDCD	
C[C@@H](CNCc1cc([N+](=O)[O-])ccc1O)[C@H](F)C(=O)O	1776424908	RKYRPIODINNNSB-CPCISQLKSA-N	286.259	1.449	10	20	CDCD	
CCN1CCCc2cc(CNC[C@@H](OC)C(=O)O)ccc21	1776875503	LCUZDZLODJLACG-OAHLLOKOSA-N	292.379	1.648	10	20	CDCD	
CCn1cc(CNCc2cccc(OC)c2O)cn1	20352701	OTANWAQOLVDZKO-UHFFFAOYSA-N	261.325	1.907	10	20	CDCD	
COCCNCc1ccc(N2CCOCC2)cc1	20085568	ZNKZTHHVBWLUFI-UHFFFAOYSA-N	250.342	1.259	10	20	CDCD	
Cc1nnsc1CNCc1cc(F)ccc1O	292849740	TWSYOFUTFKMSSB-UHFFFAOYSA-N	253.302	1.981	10	20	CDCD	
O=C1CCCN1CCNCc1cc(F)cc(F)c1O	708454235	NVAUMFDQYRDMCR-UHFFFAOYSA-N	270.279	1.382	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N2CCC[C@H](N)C2)cc1	841656248	YGVCDGMROLCYSE-ZDUSSCGKSA-N	276.384	1.385	10	20	CDCD	
C[C@H](NC(=O)N[C@H]1C[C@H](C(=O)O)C1)c1ccccc1O	874427386	DIXNCGFFXACTON-GUBZILKMSA-N	278.308	1.616	10	20	CDCD	
CC(C)[C@H](N)CNCc1ccc(N2CCN(C)CC2)cc1	107797352	BNIDLYHYCLCHOR-QGZVFWFLSA-N	290.455	1.511	10	20	CDCD	
C[C@H](CN1CCN(C)CC1)NCc1c(O)cccc1Cl	113339467	LXGUQINMKCPYBH-GFCCVEGCSA-N	297.830	1.771	10	20	CDCD	
Cc1ccc(C)n1-c1ccsc1C(=O)NCCO	121724214	FEUOTDBAZYGJTA-UHFFFAOYSA-N	264.350	1.878	10	20	CDCD	
C[C@@H]1C(=O)NCCN1Cc1cccc(Br)c1O	123475338	FDYNOQFXEWFAMN-MRVPVSSYSA-N	299.168	1.475	10	20	CDCD	
CS(=O)(=O)[C@@H]1CCN(Cc2c(O)cccc2Cl)C1	282674055	HTQDQZWDUQOFQC-SECBINFHSA-N	289.784	1.665	10	20	CDCD	
CN(Cc1cccc(Cl)c1O)[C@H]1CCS(=O)(=O)C1	124505265	HDCNJBFCRJDIMC-JTQLQIEISA-N	289.784	1.665	10	20	CDCD	
COc1ccc(O)c(CN(C)CC2(O)CCOCC2)c1	188831386	ONDAJPRHWGKFND-UHFFFAOYSA-N	281.352	1.374	10	20	CDCD	
CCC[C@@H](NC(N)=O)C(=O)N(C)Cc1ccccc1O	120228119	QHRWSFJCPSZQHE-LLVKDONJSA-N	279.340	1.188	10	20	CDCD	
CC(C)n1cc(C(=O)NCCc2ccc(O)c(O)c2)cn1	188445475	WQQJUMFREUCUKD-UHFFFAOYSA-N	289.335	1.848	10	20	CDCD	
C[C@@H](C[C@@H](C)O)NCc1cc2c(cc1O)OCO2	228074690	SZSVZMRHIWMYET-DTWKUNHWSA-N	253.298	1.370	10	20	CDCD	
CC(C)OC(=O)[C@H](C)CNC(=O)Cc1ccc(N)cc1	236781982	PSVCBVXGNBNGKZ-LLVKDONJSA-N	278.352	1.515	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@H]2CC[C@H](O)CC2)c1O	278493284	LXFJKCPFBYMSPR-XYPYZODXSA-N	296.323	1.702	10	20	CDCD	
Oc1cc2c(cc1CN1CCCC3(C1)OCCO3)OCO2	273709995	GAXQCXZFWGFGEX-UHFFFAOYSA-N	293.319	1.460	10	20	CDCD	
COC[C@H](C)OC[C@@H](O)CN(C)c1ccc2c(c1)OCO2	278303150	JLQQLHQSCMQZMO-AAEUAGOBSA-N	297.351	1.264	10	20	CDCD	
COc1ccc(N(C)C[C@@H](O)CN(C)C2CC2)cc1F	289292268	BGMWGKTUOAFWKA-ZDUSSCGKSA-N	282.359	1.726	10	20	CDCD	
C[S@@](=O)C1(CNCc2cc([N+](=O)[O-])ccc2O)CCC1	280556548	FKDGRXRLIRYLQT-HXUWFJFHSA-N	298.364	1.691	10	20	CDCD	
O=C(NCCOCC(F)F)c1c(F)ccc(O)c1O	294954371	BDCQXBVGBQOKGV-UHFFFAOYSA-N	279.214	1.248	10	20	CDCD	
COC(=O)C[C@@H](C)CC(=O)NCc1ccc(OC)cc1O	809801950	KDZFOWDZTORIJA-JTQLQIEISA-N	295.335	1.606	10	20	CDCD	
O=C1CN(Cc2ccccc2O)C(=O)N1C1CCOCC1	819164976	NLDLTCLUVANOAB-UHFFFAOYSA-N	290.319	1.335	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NCC2(N)CCC2)c1	817965185	QVJXLFDVTBFCPX-SNVBAGLBSA-N	250.342	1.933	10	20	CDCD	
C[C@@]1(C(=O)NCc2ccc(O)c(O)c2)CC1(F)F	817550466	VHPJWOLTEGGXQI-NSHDSACASA-N	257.236	1.759	10	20	CDCD	
CCCN(CC(N)=O)Cc1ccc(N(C)C)c(F)c1	814177625	JBTWUEBJLLRJSV-UHFFFAOYSA-N	267.348	1.589	10	20	CDCD	
COc1ccc(O)c(CNC[C@H]2CC[C@H](C(N)=O)CC2)c1	817411794	ZSTKUXJWBHKQPO-HAQNSBGRSA-N	292.379	1.782	10	20	CDCD	
C[C@H](NC[C@@H](N)c1ccc(N(C)C)cc1)[C@H]1CCCO1	817943313	UHBHWXOGBUISCX-APHBMKBZSA-N	277.412	1.910	10	20	CDCD	
COc1cccc(CNC(=O)c2ccn(C)n2)c1O	729859361	QYUQMACQEAQEFL-UHFFFAOYSA-N	261.281	1.064	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)CCCNC(=O)O	737493557	CXUSUNPXLSOHQW-UHFFFAOYSA-N	266.297	1.398	10	20	CDCD	
CC[C@@H](NC(=O)c1ccc(C)c(O)c1O)[C@@H](C)O	836862857	NEWLWBCKGMZKMP-PSASIEDQSA-N	253.298	1.295	10	20	CDCD	
CCOC(=O)N1CC[C@@H](NC(=O)Cc2ccc(N)cc2)C1	832157505	AGOMFJZRVXSRLW-CYBMUJFWSA-N	291.351	1.158	10	20	CDCD	
CCN1CCC(NC(=O)c2cc(OC)nc(OC)c2)CC1	1003245218	SMARBINFQADTTP-UHFFFAOYSA-N	293.367	1.313	10	20	CDCD	
COc1cc(O)c(CNCC(F)(F)CN)cc1OC	841059341	BFHMYZNKIKBUBR-UHFFFAOYSA-N	276.283	1.093	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)O[C@H]2CCOC2)c1	914153816	LPVIBBJKLCMIKH-KOLCDFICSA-N	281.308	1.977	10	20	CDCD	
C[C@@H](NC(=O)N1CCC(N)CC1)c1ccc(N(C)C)cc1	841884245	ZHOIXACVZDCTNE-GFCCVEGCSA-N	290.411	1.946	10	20	CDCD	
CNC(=O)C1(c2nc(Cc3ccc(N)cc3)no2)CCC1	843159190	MFCGDVJXFHKOKN-UHFFFAOYSA-N	286.335	1.410	10	20	CDCD	
CS[C@H](C)CC(=O)N(CC(=O)O)Cc1ccccc1O	911493856	PTMUFYPXMQDHJQ-SNVBAGLBSA-N	297.376	1.947	10	20	CDCD	
CO[C@H](CC(=O)NCc1ccc(O)c(O)c1)C(F)(F)F	845833339	FQNBJAPFQHFSSK-SNVBAGLBSA-N	293.241	1.681	10	20	CDCD	
Nc1ccc(C(=O)NCc2ccccc2O)cc1[N+](=O)[O-]	748353669	CKPMJQYEZAGQCU-UHFFFAOYSA-N	287.275	1.813	10	20	CDCD	
CCc1cccc(CN[C@H](C)C(=O)N(C)C)c1O	691483066	NPGJVQALQDDNJJ-SNVBAGLBSA-N	250.342	1.521	10	20	CDCD	
CCOc1ccc(CN2C[C@@H](F)C[C@H]2CNC)c(O)c1	843121277	BKCJUWSAUIOWEZ-STQMWFEESA-N	282.359	1.923	10	20	CDCD	
CCOc1ccc(O)c(CNC[C@H](N)C2CC2)c1	841051562	XMVJNYCXNAMLOT-ZDUSSCGKSA-N	250.342	1.618	10	20	CDCD	
CCc1cccc(CN2CC[C@@H]3COC(=O)N[C@H]3C2)c1O	848919197	HBJLFBOBBHZRIN-KGLIPLIRSA-N	290.363	1.885	10	20	CDCD	
CCOc1ccc(O)c(CN[C@H]2C[C@H](CO)C2)c1	923007349	KTURHWATQIXCLP-UMSPYCQHSA-N	251.326	1.651	10	20	CDCD	
O=C(NC[C@H](CO)CC1CC1)c1c(F)ccc(O)c1O	857327014	JXJPWVJAZVLCRD-SECBINFHSA-N	283.299	1.375	10	20	CDCD	
Cn1cnc(/C=C/C(=O)N2CCCn3nccc32)c1	931494787	RSFTVCGERWTMSG-ONEGZZNKSA-N	257.297	1.067	10	20	CDCD	
CN(Cc1cc(Cl)ccc1O)[C@]1(CO)CCOC1	862426911	PLLQWAIFJWXOFH-ZDUSSCGKSA-N	271.744	1.629	10	20	CDCD	
O=C(CC[C@@H]1CCCO1)NCCc1ccc(O)c(O)c1	269226128	RXUMSVZGXJALAS-LBPRGKRZSA-N	279.336	1.716	10	20	CDCD	
C[C@H]1CN(Cc2cc3c(cc2O)OC[C@@H]3O)CCO1	768442595	UPPYBQLEORUDCF-ZANVPECISA-N	265.309	1.039	10	20	CDCD	
CC(=O)c1cc(O)ccc1NS(=O)(=O)N1CC[C@@H](C)C1	766048622	UTMDGCBWNARZFX-SECBINFHSA-N	298.364	1.593	10	20	CDCD	
Cc1cc(C(=O)N[C@@H]2CNC(=O)C2)c(C)n1-c1ccccn1	779367169	KSXHKBPYUXBXFT-LBPRGKRZSA-N	298.346	1.107	10	20	CDCD	
CC(C)N1CCN(Cc2cc3c(cc2O)CCC3)CC1=O	779881749	BFGYDRBLPOUMIC-UHFFFAOYSA-N	288.391	1.934	10	20	CDCD	
CCc1cccc(CN2CCN(C)C[C@@H]2CO)c1O	877643190	BYLXFEZIVYNOHM-CQSZACIVSA-N	264.369	1.063	10	20	CDCD	
C[C@H]1[C@H](C)CCN1C(=O)C(=O)N(C)Cc1ccccc1O	1117904692	IXHXAEKOLSOXGV-NEPJUHHUSA-N	290.363	1.608	10	20	CDCD	
C[C@H]1C[C@H](C(=O)NCc2ccc(O)c(O)c2)CO1	784441998	KKEOHXXDGRXYDM-WPRPVWTQSA-N	251.282	1.139	10	20	CDCD	
COc1cc(C)cc(CN(C)[C@@H]2CCC(=O)N(C)C2)c1O	895389195	NTXHJPNFPOBFLM-CYBMUJFWSA-N	292.379	1.762	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CC(=O)N(C)C[C@H]2C)c1O	782591363	FAURKYNTVIAOQW-SECBINFHSA-N	294.326	1.396	10	20	CDCD	
Cc1ccc(C(=O)N(C)Cc2ccon2)c(O)c1O	780949182	HVDIPCISFHZTOH-UHFFFAOYSA-N	262.265	1.666	10	20	CDCD	
COC[C@@H](CO)NC1CCN(c2ccc(OC)cc2)CC1	793324916	OGGWSYLLROCBMU-CQSZACIVSA-N	294.395	1.261	10	20	CDCD	
CC[C@H](C)[C@H](NCc1ccc(N(C)C)cc1)C(N)=O	887055746	JVLQEGCCRUVNII-FZMZJTMJSA-N	263.385	1.742	10	20	CDCD	
COc1ccc(CNC(=O)N[C@H](C)[C@@H]2CCOC2)c(O)c1	792962398	YZTDEDHRXQRTPL-ZYHUDNBSSA-N	294.351	1.625	10	20	CDCD	
O=C1N[C@H]2CCN(Cc3ccccc3O)C[C@@H]2CO1	798957671	KVLRSMIWGACGQP-NEPJUHHUSA-N	262.309	1.323	10	20	CDCD	
CC[C@@H](C(=O)O)N(C)Cc1cc(OC)ccc1O	86803559	CFORSQLYSWCPCS-NSHDSACASA-N	253.298	1.696	10	20	CDCD	
C[C@H](NC[C@H]1CN(C)CCN1C)c1ccc(F)cc1O	68803341	DWKMDSKKRSJBCA-AAEUAGOBSA-N	281.375	1.428	10	20	CDCD	
CCC[C@]1(CO)CCN(C(=O)NCc2ccc(N)cc2)C1	1336290209	JVZQAJJYTOYYLK-INIZCTEOSA-N	291.395	1.963	10	20	CDCD	
CC[C@@H]1C(=O)NCCN1Cc1ccc(N2CCCC2)cc1	1341567177	DKVLXSQOTFRLGB-MRXNPFEDSA-N	287.407	1.997	10	20	CDCD	
CN(C)c1ccc(CN[C@H](C[C@@H]2CCCO2)C(=O)O)cc1	1350653067	MBXSOMQXWRRHDC-LSDHHAIUSA-N	292.379	1.865	10	20	CDCD	
CCC[C@@H](O)CN[C@@H](C)c1cc(C(=O)O)ccc1O	1605221133	IKHAMXCTCXNKSB-GXSJLCMTSA-N	267.325	1.902	10	20	CDCD	
CN(C)c1cc(F)c(CNC[C@H]2CCN2)cc1F	1578422881	KQDPNEPBUUOXMT-SNVBAGLBSA-N	255.312	1.482	10	20	CDCD	
COc1ccc(O)c(CNC(=O)NC/C=C(/C)C(=O)O)c1	1599598556	OVSCYWXZEZHPAK-UITAMQMPSA-N	294.307	1.231	10	20	CDCD	
CC[C@H](CNC(=O)COC)NCc1ccc(OC)c(C)c1	1753464939	URVIJXGOOZUITK-CQSZACIVSA-N	294.395	1.634	10	20	CDCD	
COc1ccc(O)c(CN[C@H]2CC=C(C(=O)O)C2)c1	1599598034	DZCMOGZKTFAGCE-NSHDSACASA-N	263.293	1.664	10	20	CDCD	
CN1CC[C@H](COc2ccc(N(C)C)c(C(=O)O)c2)C1=O	1598583465	HQKGULGCIXNBER-SNVBAGLBSA-N	292.335	1.308	10	20	CDCD	
C[C@H](C(=O)O)N1CCCc2ccc(N(C)C)cc2C1	1776228676	OPYLTZZVSQMRJP-LLVKDONJSA-N	262.353	1.974	10	20	CDCD	
O=C(COc1ccc(F)cc1)NCc1ccc(O)c(O)c1	158930758	CVGNYBWRPPPSQF-UHFFFAOYSA-N	291.278	1.932	10	20	CDCD	
CN(C)c1ccc(CNC(=O)C[C@@H]2CCCN2)cc1F	166462073	IAASVJZYCLMNPQ-LBPRGKRZSA-N	279.359	1.650	10	20	CDCD	
CCN(C)c1ccc([C@H](C)NCCOCCO)cc1	159109078	MJZVTOPVDMNINQ-ZDUSSCGKSA-N	266.385	1.802	10	20	CDCD	
Cc1cccc(CN2CC[C@@H](C(=O)N(C)C)C2)c1O	840957146	GBRLNKPMTBGCLL-CYBMUJFWSA-N	262.353	1.611	10	20	CDCD	
COC[C@H](CCO)NCc1cc(Cl)cc(OC)c1O	230934713	CSPQUDABBSVZDC-NSHDSACASA-N	289.759	1.541	10	20	CDCD	
CCOC[C@@H]1CCN(Cc2cc3c(cc2O)OCO3)C1	177635209	LFZJPWZIYUSGPK-LLVKDONJSA-N	279.336	1.979	10	20	CDCD	
C[C@H](NCCCN1CCOCC1)c1ccc(F)cc1O	62745094	LQNCREMYGAQHAU-LBPRGKRZSA-N	282.359	1.904	10	20	CDCD	
CO[C@H]1CN(Cc2c(C)cccc2O)C[C@H]1OC	877475125	MFXKCCYBEVVETP-OKILXGFUSA-N	251.326	1.546	10	20	CDCD	
COc1cccc(CN[C@H](CCO)C(F)(F)F)c1O	886371791	UMMJOYPNWWUMJV-SNVBAGLBSA-N	279.258	1.804	10	20	CDCD	
CN1C[C@@H](C(=O)NCCCSc2nccs2)CC1=O	114375672	PWOYQFBLFKMAKS-VIFPVBQESA-N	299.421	1.220	10	20	CDCD	
Cn1cnnc1CNCc1cccc(Br)c1O	42412544	KMDLVZLSXICJDZ-UHFFFAOYSA-N	297.156	1.573	10	20	CDCD	
CN(C)C[C@](C)(O)CNCc1ccc2c(c1)CCCO2	921930209	IIZNOYWGKIEAND-MRXNPFEDSA-N	278.396	1.414	10	20	CDCD	
C[C@H]1CN(C(=O)CSc2nccs2)CCO1	77582134	XNYHRTRSAQBXHJ-QMMMGPOBSA-N	258.368	1.483	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NCC(F)F)cc1F	73915561	LLWNJBZPUBJBRZ-UHFFFAOYSA-N	275.274	1.956	10	20	CDCD	
Cc1ccccc1[C@H](O)CNC(=O)c1cccc(O)c1O	187089560	JOFSFWJLWDTIHV-CQSZACIVSA-N	287.315	1.870	10	20	CDCD	
C[C@@H](O)[C@H]1CCN(C(=O)NCc2ccc(N(C)C)cc2)C1	181325634	LQZSAXOXGVGOAQ-OCCSQVGLSA-N	291.395	1.665	10	20	CDCD	
Cc1nc(NC(=O)/C=C/c2ccc(O)c(O)c2)n[nH]1	181039842	OMCQPYQXAHACFF-HWKANZROSA-N	260.253	1.176	10	20	CDCD	
CN1C[C@H](C(=O)N(C)Cc2ccc(N(C)C)cc2)CC1=O	46321262	MYDIMYWEMKUKMI-CYBMUJFWSA-N	289.379	1.189	10	20	CDCD	
C[C@@H]1OCC[C@@]1(O)CNCc1ccc(N2CCCC2)cc1	227981981	NDMYGBJYQKDGIV-WMLDXEAASA-N	290.407	1.916	10	20	CDCD	
O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1CCCN1	195171492	YTCMOHMVRZNVSG-OAHLLOKOSA-N	273.380	1.655	10	20	CDCD	
CCNC(=O)CN(Cc1ccccc1O)C[C@H]1CCCO1	96970996	XICIFNJPGZAENO-CQSZACIVSA-N	292.379	1.509	10	20	CDCD	
CC[C@@H](C(=O)NCc1ccc(O)c(O)c1)N(CC)CC	269095678	MRFOEUVXYSYUKF-LBPRGKRZSA-N	280.368	1.834	10	20	CDCD	
Cc1cccc(CN(C)[C@H](C)CN2CCOCC2)c1O	279347652	FVMCMYABCLAEEB-CQSZACIVSA-N	278.396	1.853	10	20	CDCD	
COc1ccc2c(c1)CCCCN2Cc1nnnn1C	362392802	SYRRLCMSFOEDAD-UHFFFAOYSA-N	273.340	1.562	10	20	CDCD	
COC[C@H]1CN(Cc2cc3c(cc2O)OCO3)C[C@H](C)O1	276023861	NQIFIMBRFFGDOC-CMPLNLGQSA-N	295.335	1.357	10	20	CDCD	
CN(C)c1ccc(CNC[C@H](CO)[C@H]2CCOC2)cc1	280427339	ZXKLBPQYOIJJHP-LSDHHAIUSA-N	278.396	1.487	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](C)CC(N)=O	282874697	AWXFMNRWKKIHCC-GFCCVEGCSA-N	291.395	1.613	10	20	CDCD	
COCC[C@H](CO)NCc1ccc(OC)c(C)c1	282247314	OJUWEFRXHHFKEG-CYBMUJFWSA-N	253.342	1.491	10	20	CDCD	
Cc1cc(CN2CCN3C(=O)NC[C@@H]3C2)ccc1N(C)C	292882380	UGMIEFRCQCYMGK-CQSZACIVSA-N	288.395	1.270	10	20	CDCD	
CC(=O)C(=O)CSc1nnnn1-c1c(C)cccc1C	808015956	BTCSCLFNCWJOMK-UHFFFAOYSA-N	290.348	1.529	10	20	CDCD	
CN(C)c1ccc(CN2CC[C@](F)(CO)C2)cc1F	802661975	ZBIRLYKUPUKLIL-CQSZACIVSA-N	270.323	1.798	10	20	CDCD	
OC[C@@H]1CN(Cc2ccccc2O)CCC1(F)F	291351934	XJJNDWORWUKBJK-NSHDSACASA-N	257.280	1.842	10	20	CDCD	
CN1C(=O)CC[C@@H]1C(=O)NCCCSc1nccs1	806851505	RGEBBVYIUCVBOX-SECBINFHSA-N	299.421	1.362	10	20	CDCD	
C[C@H](NCC1=CCNCC1)c1cc([N+](=O)[O-])ccc1O	817967620	KPWNNAUPQDDHPW-JTQLQIEISA-N	277.324	1.871	10	20	CDCD	
CC(C)N(CC(=O)O)C(=O)/C=C/c1ccc(O)c(O)c1	819996692	ZOYOCNBEKFGXDR-GQCTYLIASA-N	279.292	1.433	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN[C@H](C)C[C@@H]1COCCN1	817894698	PZDYOFWXVMGWPG-GDBMZVCRSA-N	291.439	1.918	10	20	CDCD	
CCN(C)c1ccc(CN2CC[C@@](C)(C(N)=O)C2)cc1	815105781	KYNHPSCKIGBIFG-MRXNPFEDSA-N	275.396	1.840	10	20	CDCD	
CC(C)[C@@H](N)CN[C@@H](C)c1cc([N+](=O)[O-])ccc1O	817958462	JVUHJPCKSJZMCY-CABZTGNLSA-N	267.329	1.934	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)c1ncc2n1CCCC2	828912099	ZBNYSJZWYXGAHQ-UHFFFAOYSA-N	287.319	1.561	10	20	CDCD	
CC1=NO[C@@H](C(=O)N2CCOc3cc(N(C)C)ccc32)C1	829238426	HXNKIXQWUFZJSH-CQSZACIVSA-N	289.335	1.643	10	20	CDCD	
O=C(O)[C@@H]1CCCCN1Cc1cc2c(cc1O)OCO2	821510195	COTGNRBYTXUOFW-JTQLQIEISA-N	279.292	1.560	10	20	CDCD	
CC[C@]1(C(=O)N[C@H](C)c2ccccc2O)CCNC1=O	827917630	ONPGISMPGGRINK-BMIGLBTASA-N	276.336	1.486	10	20	CDCD	
O=C(NCc1cc(Cl)ccc1O)[C@@H]1CCOC1	823985717	BQMHEKQPZDAFRF-MRVPVSSYSA-N	255.701	1.698	10	20	CDCD	
CCCONC(=O)NCc1ccc(N2CCOCC2)cc1	828256449	BUISQLAPOMPWER-UHFFFAOYSA-N	293.367	1.664	10	20	CDCD	
CN(C)c1ccc(CN2CCCN(C=O)CC2)cc1F	827872070	OMDITHPXIBFPJC-UHFFFAOYSA-N	279.359	1.556	10	20	CDCD	
COc1cc(O)ccc1NS(=O)(=O)N(C)CC1CC1	901703515	HERKJAXLIQWXOF-UHFFFAOYSA-N	286.353	1.399	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N=c1cc[nH]cc1	588403859	XIBPWKJKSOEFFV-RQOWECAXSA-N	256.261	1.567	10	20	CDCD	
COC(=O)[C@H]1C[C@H](OC)CCN1C(=O)c1cc(O)cs1	831794808	SPFWBSMAVUDSJV-NXEZZACHSA-N	299.348	1.246	10	20	CDCD	
CCN(C)S(=O)(=O)Nc1ccc(O)c(F)c1F	830185000	UBFIAETWEWEHCO-UHFFFAOYSA-N	266.269	1.279	10	20	CDCD	
Cc1cnc(CN(C)c2ccc(OCC(=O)O)cc2)nc1	846279944	QTYRFMDCZAMQDE-UHFFFAOYSA-N	287.319	1.885	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N[C@@H]2CCC[C@@H](N)C2)cc1	841656063	VFJPYSKWQXGZPG-ZIAGYGMSSA-N	290.411	1.822	10	20	CDCD	
Cc1ccc(C(=O)N2CCC([C@@H](C)CO)CC2)c(O)c1O	846471678	QWXONSUJQCWNQI-NSHDSACASA-N	293.363	1.887	10	20	CDCD	
C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccc(N)cc1	840999136	CJVHEUAKYIXIOF-MFKMUULPSA-N	275.352	1.902	10	20	CDCD	
COc1ccc(O)c([C@H](C)N[C@@H]2CC[C@H](C(N)=O)C2)c1	825284535	ORHJGRFQHAJLJK-GARJFASQSA-N	278.352	1.705	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1CCN(C)C[C@@H]1CN	843121302	CNNYLTPANOMLLA-INIZCTEOSA-N	276.428	1.136	10	20	CDCD	
CC[C@H](NCc1cc(Cl)cc([N+](=O)[O-])c1O)C(=O)O	843038469	HXUPQVJKSNWLTH-QMMMGPOBSA-N	288.687	1.907	10	20	CDCD	
COC(=O)C(C)(C)Cc1cn(-c2ccc(N)cc2)nn1	849134914	WECBOZCIYNXUKC-UHFFFAOYSA-N	274.324	1.591	10	20	CDCD	
CCCCN(CC)C(=O)C(=O)NCCc1ccc(N)cc1	842237013	AFQYRWFBAPYVLE-UHFFFAOYSA-N	291.395	1.576	10	20	CDCD	
CC(C)c1nnc(CNC(=O)c2cc(O)cs2)n1C	758597927	SJAIIFKQWODCOB-UHFFFAOYSA-N	280.353	1.636	10	20	CDCD	
CC(F)(F)C(=O)NCc1ccc(N2CCC(O)CC2)cc1	853863438	RDNZYWQLGBYJIH-UHFFFAOYSA-N	298.333	1.919	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CCC[C@@H]2N)c1	852801824	ARKIQNVWLSBRPR-XWIASGKRSA-N	278.352	1.705	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NCCOCC2CC2)c1	858204206	JSLSKOXXSCCEQN-UHFFFAOYSA-N	278.352	1.926	10	20	CDCD	
CN(C)CCn1nccc1NC(=O)c1cc(O)cs1	854665598	XHYRBHHUHXSUBW-UHFFFAOYSA-N	280.353	1.464	10	20	CDCD	
CCOc1ccc(O)c(CN[C@H]2CCCS(=O)(=O)C2)c1	754891008	SAPGQDXDJQMPDK-LBPRGKRZSA-N	299.392	1.458	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NCCO[C@@H]2CCOC2)c1	927526856	QBSOFDYOYKEMFA-CYBMUJFWSA-N	294.351	1.305	10	20	CDCD	
COC/C=C\C(=O)NCc1cccc(OC)c1O	866764978	ZERXDCGDEFJXBJ-DAXSKMNVSA-N	251.282	1.220	10	20	CDCD	
C[C@@H]1CN(Cc2cc3c(cc2O)OC[C@H]3O)[C@H](C)CO1	768441755	MHPBIVSSHMAISA-GPCCPHFNSA-N	279.336	1.427	10	20	CDCD	
CCN(CC)C(=O)CNCc1ccc(C)cc1O	876985851	RQNMVJQGISUIEA-UHFFFAOYSA-N	250.342	1.659	10	20	CDCD	
CCN(CCCO)Cc1ccc(N2CCC(O)CC2)cc1	876766618	OKEILWITVAZZQQ-UHFFFAOYSA-N	292.423	1.852	10	20	CDCD	
COC[C@@H](C)C(=O)NCCNCc1ccc(OC)c(C)c1	1124758832	ANKAHWYGTWFZNV-CYBMUJFWSA-N	294.395	1.492	10	20	CDCD	
C[C@@H](NC(=O)C[C@@H]1COC(=O)C1)c1ccc(N(C)C)cc1	773017522	FCSCNOLIPPFXGG-NEPJUHHUSA-N	290.363	1.883	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cocn1	773767853	RDOOQCWGDIWHIZ-QMMMGPOBSA-N	262.265	1.447	10	20	CDCD	
COc1cc(C)cc([C@@H]2NC(=O)[C@@H]3C[C@@H](C)CCN32)c1O	887329623	KZANCNPKVDOWDS-ONENECBXSA-N	290.363	1.938	10	20	CDCD	
C[C@H](NC(=O)C(=O)NCC1CC1)c1ccc(N(C)C)cc1	788535002	VKQDKJQOEFCSIL-NSHDSACASA-N	289.379	1.456	10	20	CDCD	
Cc1noc([C@@H](C)NC(=O)c2ccc(C)c(O)c2O)n1	780922952	ZURWEHBIBNKEQB-SSDOTTSWSA-N	277.280	1.589	10	20	CDCD	
C[C@@H](O)CCCNCc1ccc(N2CCN(C)CC2)cc1	788523405	CAOOAYBUQITJOK-OAHLLOKOSA-N	291.439	1.689	10	20	CDCD	
CCC1(CNCc2ccc(OC)c(OC)c2O)COC1	894750773	LTUWRHQXTVJNOS-UHFFFAOYSA-N	281.352	1.926	10	20	CDCD	
CCOc1ccc(CNCC2([S@@](C)=O)CC2)c(O)c1	799348516	FWZXSXKLVAFZME-LJQANCHMSA-N	283.393	1.792	10	20	CDCD	
CCOc1ccc(N2CCN(Cc3cnon3)CC2)cc1	1327556402	YKKMWSFGCHGXJP-UHFFFAOYSA-N	288.351	1.791	10	20	CDCD	
CCn1nnnc1N1CCOc2cc(N(C)C)ccc21	1332943168	ATVFEOOBVUDFHV-UHFFFAOYSA-N	274.328	1.290	10	20	CDCD	
C[C@H](CS(C)(=O)=O)N(C)Cc1cc(Cl)ccc1O	93384593	RBPUCJYOKMSOIE-SECBINFHSA-N	291.800	1.911	10	20	CDCD	
COc1cccc(CN[C@H](C)c2ncnn2C)c1O	788972190	WXFMVMWQYILNCI-SECBINFHSA-N	262.313	1.380	10	20	CDCD	
C[C@@H]1CN(C(=O)C(=O)NCCc2ccc(N)cc2)C[C@@H]1C	1345198521	RZRORVFWQOFTSR-TXEJJXNPSA-N	289.379	1.042	10	20	CDCD	
CO[C@@H]1CCC[C@@H]1C(=O)NCc1ccc(O)c(O)c1	1262614409	HMPNNRRUTRXOHJ-GXFFZTMASA-N	265.309	1.529	10	20	CDCD	
COCC1CN(C(=O)NCc2ccc(N(C)C)cc2)C1	1348384546	JVUFACKWDDYJQT-UHFFFAOYSA-N	277.368	1.540	10	20	CDCD	
O=C(O)c1cnc(SCOC(=O)C2CC2)s1	1608979341	WFFHXTVAMZKFLA-UHFFFAOYSA-N	259.308	1.844	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1C[C@@H](O)C[C@H]1C(=O)O	1607667620	MJQILMCFFDMZCN-KBPBESRZSA-N	278.352	1.081	10	20	CDCD	
O=C(O)C1(CNCc2cc(Cl)ccc2O)CC1	1601708052	RHTDKZNVTWGOEZ-UHFFFAOYSA-N	255.701	2.000	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)[C@@]12CCCC[C@@H]1NCC2	1580713598	DHLBQYYBYVXFDV-GOEBONIOSA-N	290.363	1.636	10	20	CDCD	
COc1ccc(CNC[C@H](OC)[C@H]2CCOC2)c(O)c1	850342925	OSQVEKZSECHEAP-WFASDCNBSA-N	281.352	1.542	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1c[nH]nn1	108286174	IMEDPRKTKPSZQK-UHFFFAOYSA-N	259.313	1.143	10	20	CDCD	
CN1C(=O)CC[C@@H](NCc2cccc(Cl)c2O)C1=O	158803295	IEZYJIWHVCJYTJ-SNVBAGLBSA-N	282.727	1.283	10	20	CDCD	
O[C@@]1(CNCc2ccc3c(c2)CCO3)CCSC1	304682154	ZVYSKBLMJVYDCO-CQSZACIVSA-N	265.378	1.579	10	20	CDCD	
CC[S@](=O)CCN[C@H]1CCc2cccc(O)c21	310229418	GSLJYKZUQKZJTN-GTNSWQLSSA-N	253.367	1.738	10	20	CDCD	
COc1cc(Cl)cc(CN[C@@H]2CCCN(C)C2=O)c1O	704388937	WISMTNSTGQRCRG-LLVKDONJSA-N	298.770	1.765	10	20	CDCD	
CCN(C)C(=O)[C@@H](C)NCc1cc(F)cc(F)c1O	708516492	IWCBXXANJIABRP-MRVPVSSYSA-N	272.295	1.627	10	20	CDCD	
COCCC(=O)N[C@H](C)c1cc(OC)ccc1O	103528568	FYACPEDTQMTHAP-SECBINFHSA-N	253.298	1.615	10	20	CDCD	
COc1cccc(CN[C@H](C)[C@@H]2CCOC2)c1O	135213569	ZKNVKHWQELYFSB-ZYHUDNBSSA-N	251.326	1.915	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)C1(O)CCCC1	304137109	DYTZRTJYZMKGPV-UHFFFAOYSA-N	276.380	1.982	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2noc(C)n2)c1	123678970	UXIBUWRLUWFQEN-UHFFFAOYSA-N	263.253	1.022	10	20	CDCD	
CC[C@H](CO)NC(=O)NCc1ccc(N(C)C)cc1	31726636	VFFXMIFXORTMBC-GFCCVEGCSA-N	265.357	1.323	10	20	CDCD	
CCOc1cccc(CN(C)CCN2CCNCC2)c1O	71148548	KMDBEZYUKQGOBL-UHFFFAOYSA-N	293.411	1.128	10	20	CDCD	
CC[C@@H](NC(=O)c1cccc(O)c1O)[C@H]1CCCO1	187206170	LTKSMXWFCDMRMU-ZYHUDNBSSA-N	265.309	1.785	10	20	CDCD	
CCN1CCC(NC(=O)CSc2nccs2)CC1	48874906	FRSUPJWEFJVZNF-UHFFFAOYSA-N	285.438	1.836	10	20	CDCD	
C[C@H]1CCN(C(=O)NCc2ccc(N(C)C)cc2)[C@H]1CO	191044786	ISVQPPZGOWBEMO-WFASDCNBSA-N	291.395	1.665	10	20	CDCD	
CC(C)CCC(=O)NCC(=O)NCCc1ccc(N)cc1	236682788	FJEXXPNWZZDXDN-UHFFFAOYSA-N	291.395	1.480	10	20	CDCD	
CS[C@H]1CCN(C(=O)c2cccc(O)c2O)C1	294197246	GTTPWNKETFHAAH-QMMMGPOBSA-N	253.323	1.675	10	20	CDCD	
CCOc1ccc(O)c(CN2CCO[C@@H](COC)C2)c1	93529388	RGPVGZYATFWHDT-CQSZACIVSA-N	281.352	1.638	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CCCCO)cc1	92171048	HECWJQGLKFKEFS-UHFFFAOYSA-N	250.342	1.531	10	20	CDCD	
CCOc1ccc(O)c(CN2CC(=O)N(CC3CC3)C2)c1	279469368	RXFSOKCGTBBLAF-UHFFFAOYSA-N	290.363	1.803	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[C@@H](O)C1	272344878	ABKCARMXQQAHBJ-DUMNWFOQSA-N	263.293	1.094	10	20	CDCD	
CN(CCCN1CCCC1)C(=O)c1cccc(O)c1O	281684402	KWPCOEOGQYLPFM-UHFFFAOYSA-N	278.352	1.656	10	20	CDCD	
COC(=O)c1ccc2nc(SCC(=O)C(C)=O)oc2c1	808021958	DXLHYIICFMUNFO-UHFFFAOYSA-N	293.300	1.865	10	20	CDCD	
Cc1c(CC(=O)NCc2ccc(N(C)C)cc2)cnn1C	292100332	ZHYDXQGKOOMQMO-UHFFFAOYSA-N	286.379	1.653	10	20	CDCD	
CCOc1ccc(O)c(CN2CC(=O)N[C@H](C)C2)c1	295074498	RISWBRGSJMKRAW-SNVBAGLBSA-N	264.325	1.111	10	20	CDCD	
CN(C)c1ccc([C@H](N)CN[C@@H]2CCC[C@H]2CN)cc1	817943874	WHGBJQTVGIXMQE-NUEKZKHPSA-N	276.428	1.469	10	20	CDCD	
CC[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C(C)(C)O	818584734	WNXWUBHMWHKIML-CFNZNRNTSA-N	279.336	1.777	10	20	CDCD	
C[C@@H](NC[C@@H](N)C1CC1)c1cc([N+](=O)[O-])ccc1O	817964499	AQHPGRNGWOUSDV-PRHODGIISA-N	265.313	1.688	10	20	CDCD	
CCN1C[C@@H](NCc2c(O)ccc(Cl)c2F)CC1=O	824886642	GQPIOAGYGMUIPK-QMMMGPOBSA-N	286.734	1.895	10	20	CDCD	
COc1ccc(O)c(CN2CC[C@@H](OC)C[C@H]2C(=O)O)c1	833733381	GFJKKLNJEMRPRN-OLZOCXBDSA-N	295.335	1.465	10	20	CDCD	
C[C@@H]1C[C@@]1(C(=O)O)C(=O)NCc1c(O)cccc1F	902854164	YVQNQGYEANTZDV-UHLUBPPHSA-N	267.256	1.258	10	20	CDCD	
COc1cccc([C@@H](O)CNC(=O)c2cc(O)cs2)c1	732297632	QQNGGBIPJDUBIK-LBPRGKRZSA-N	293.344	1.926	10	20	CDCD	
NCc1ccc2c(c1)CCCN2C[C@H](N)CC(F)F	903874161	ULAFFBLNISXJJD-GFCCVEGCSA-N	269.339	1.880	10	20	CDCD	
COCCN(CCC(=O)OC)C(=O)c1cc(O)cs1	743542337	NDBQWNCELQSBTM-UHFFFAOYSA-N	287.337	1.105	10	20	CDCD	
O=C(CC1(O)CCC1)NCc1cc(Cl)ccc1O	846476457	MNSGKKITDUQLCB-UHFFFAOYSA-N	269.728	1.967	10	20	CDCD	
CC(C)(N)CNC(=O)NCc1ccc(N2CC=CC2)cc1	841831128	CAHOSHUFMHZUBO-UHFFFAOYSA-N	288.395	1.599	10	20	CDCD	
NCC[C@H](NCc1cccc(F)c1O)C(F)(F)F	841091244	VMDSIRYERLFCLI-VIFPVBQESA-N	266.238	1.901	10	20	CDCD	
C[C@H]1C[C@@H](NC(=O)NCc2ccc(N(C)C)cc2)CCN1	841653992	LIYNATBJXSIMLP-JSGCOSHPSA-N	290.411	1.692	10	20	CDCD	
C[C@H]1NC(=O)N(CCSc2nccs2)C1=O	840194106	UYPREYSLUJSXBB-ZCFIWIBFSA-N	257.340	1.176	10	20	CDCD	
C[C@H](O)C[C@@H]1CCCN1C(=O)NCCc1ccc(N)cc1	841958972	JFWAKCLANQMNCK-WFASDCNBSA-N	291.395	1.756	10	20	CDCD	
Nc1ccc(CCNC(=O)N2CCO[C@@H](C(F)F)C2)cc1	841959116	LBTRKLDZGKWODR-GFCCVEGCSA-N	299.321	1.487	10	20	CDCD	
Cc1cc(O)c(CN2CCO[C@H]([C@@H](C)N)C2)cc1C	843057543	JOQXPUUAZIXDEN-DOMZBBRYSA-N	264.369	1.557	10	20	CDCD	
CO[C@@H]1CCN(C(=O)NCCc2ccc(N)cc2)C[C@@H]1C	841956272	ZZZJFFJETKWYJQ-SWLSCSKDSA-N	291.395	1.878	10	20	CDCD	
Cc1ccc(CC(=O)NCc2ccccc2O)cn1	748345072	HJVIWXHEDNZLFT-UHFFFAOYSA-N	256.305	1.955	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN[C@H]1C(=O)NCC[C@H]1C	840942482	UMAHFRWLGMITAH-IAQYHMDHSA-N	275.396	1.675	10	20	CDCD	
CCNC(=O)CNCc1ccc(OC)c(COCC)c1	747855067	YZRWJVXVSFMWGZ-UHFFFAOYSA-N	280.368	1.457	10	20	CDCD	
CCOC(=O)[C@H](CC1CC1)NC(=O)Cc1ccc(N)cc1	843449177	XPZBUNXOYUPLHG-AWEZNQCLSA-N	290.363	1.659	10	20	CDCD	
CC(=O)N1CC[C@@H](NCc2ccc3c(c2)CCCO3)C1	922273121	SFQDCOGQMCTHJA-OAHLLOKOSA-N	274.364	1.722	10	20	CDCD	
COc1ccc(N(C)CCN(C)Cc2cn(C)cn2)cc1	852210959	CKPUGDORBZDZCC-UHFFFAOYSA-N	288.395	1.997	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2coc(C(N)=O)c2)c1	759957885	HJFDWKRTEGXNRW-UHFFFAOYSA-N	290.275	1.023	10	20	CDCD	
COc1ccc(O)c(CNC(=O)C2(OC)CCCC2)c1	754229146	UJOFTLOVMXKDAD-UHFFFAOYSA-N	279.336	1.976	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)OCCCCO	759595038	PJOPVJXLADMVTJ-XQRVVYSFSA-N	252.266	1.427	10	20	CDCD	
Cc1ccc(C(=O)N(C)C[C@H]2C[C@@H](O)C2)c(O)c1O	863383337	NNQHBACUIXMJKH-AOOOYVTPSA-N	265.309	1.249	10	20	CDCD	
CC[C@@H](NC[C@@]1(O)CCN(C)C1)c1ccc(N(C)C)cc1	762790186	XZZJBQCTCSUADW-SJORKVTESA-N	291.439	1.860	10	20	CDCD	
CC(C)C1(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)COC1	935312798	ZETZNKPPLHWCKG-LLVKDONJSA-N	293.363	1.818	10	20	CDCD	
Oc1cc2c(cc1CN1CCc3c[nH]nc3C1)OCO2	769469310	WKSZQYJDAPMYMH-UHFFFAOYSA-N	273.292	1.402	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NCC(=O)N2CCC2)c1	775362679	HLTYRTYNDQWLQI-SNVBAGLBSA-N	264.325	1.284	10	20	CDCD	
Cc1nonc1CNC(=O)/C=C\c1ccc(O)c(O)c1	779518742	MJNPXYQEHAMKEQ-HYXAFXHYSA-N	275.264	1.119	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN(C)C2CC(O)C2)c1O	775063313	PZGGISVJKNMOQI-UHFFFAOYSA-N	282.296	1.264	10	20	CDCD	
COC(=O)N1CC(C)(NCc2ccc3c(c2)CCO3)C1	787767109	ORODCQOTSZTROV-UHFFFAOYSA-N	276.336	1.552	10	20	CDCD	
CCOc1ccc(CN[C@@H](C)c2ncnn2C)c(O)c1	788971108	GEKHPIZCNXJISO-JTQLQIEISA-N	276.340	1.770	10	20	CDCD	
Oc1ccccc1CN1CCC2(CC1)C[C@@H](O)CCO2	897261081	BGVVWCSUEVWJLY-AWEZNQCLSA-N	277.364	1.898	10	20	CDCD	
COCCONC(=O)NCc1ccc(N2CC=CC2)cc1	789039942	ZYOIYUFZVAZQLL-UHFFFAOYSA-N	291.351	1.440	10	20	CDCD	
Oc1c(F)cc(F)cc1CN1CCOC[C@@]12CCOC2	894661087	ASNSVWFYFWZLLM-AWEZNQCLSA-N	285.290	1.662	10	20	CDCD	
COc1ccc(O)c(CN2CCCN(C(C)=O)CC2)c1	133279179	YKRZVTIUBGIXNQ-UHFFFAOYSA-N	278.352	1.455	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CSCN1	37807389	YPGARNASMCTDTD-AWEZNQCLSA-N	293.436	1.764	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCC2(CC1)C[C@@H](O)CCO2	1334778435	WGGOOLHTOIDEDZ-JTQLQIEISA-N	297.376	1.600	10	20	CDCD	
CCN(CC)c1ccc(CN(C)C(=O)C[C@H](O)CN)cc1	1340788728	DVWGDLQRTZYDPS-HNNXBMFYSA-N	293.411	1.201	10	20	CDCD	
CCOC(=O)CN(C)c1ccc(OCC(=O)O)cc1	1605539505	QEZMFZGXOGYBSA-UHFFFAOYSA-N	267.281	1.149	10	20	CDCD	
O=C(O)[C@@H]1C[C@H](F)CN1C(=O)/C=C/c1ccc(O)c(O)c1	1602196602	MUYWCOAJHRTYPD-BMRYVVEKSA-N	295.266	1.135	10	20	CDCD	
COc1ccc(CNC(=O)NCC(C)(C)C(=O)O)c(O)c1	1610333183	PHAQOZFRATZJQV-UHFFFAOYSA-N	296.323	1.311	10	20	CDCD	
O=C(O)[C@H](NCc1ccc(Cl)cc1O)C1CC1	1601674110	JESJXZVJUPHKIL-LLVKDONJSA-N	255.701	1.998	10	20	CDCD	
CCOCCO[C@H](C)C(=O)Oc1ccc(N)cc1	1578117632	AMMCVQYOJIUHLA-SNVBAGLBSA-N	253.298	1.616	10	20	CDCD	
COC(=O)[C@@]1(C)CN(C(=O)Cc2ccc(N)cc2)C[C@@H]1C	1578840853	KPEMUBXHDQONEI-ZBEGNZNMSA-N	290.363	1.469	10	20	CDCD	
CCN(CC(=O)NCc1cccc(OC)c1O)C1CC1	153999782	HEYMPUSZEXZZAJ-UHFFFAOYSA-N	278.352	1.501	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)[C@@H]1C[C@H]2CC[C@@H]1O2	156663586	TUXWKNLWMIQHFQ-GYSYKLTISA-N	277.320	1.324	10	20	CDCD	
Cc1ccc(O)c([C@@H](C)NC[C@@H]2CCCNC2=O)c1	840825773	LHZIEALZYOKOSQ-NEPJUHHUSA-N	262.353	1.877	10	20	CDCD	
COc1cccc(CN(C)[C@@H](C)C[S@@](C)=O)c1O	131141806	LILNWZSEKXJRPI-YPMLDQLKSA-N	271.382	1.600	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C[C@H]1CCCN1	42168768	PKPQFYZQJATOSB-CQSZACIVSA-N	275.396	1.853	10	20	CDCD	
COc1ccc(O)c([C@H](C)NCc2nncn2C)c1	38007482	IZETVFBXSBLBMW-VIFPVBQESA-N	262.313	1.380	10	20	CDCD	
CO[C@@H]1CCN(C(=O)c2cccc(O)c2O)[C@@H](C)C1	388217376	FWYPQUGIWDPGBW-VHSXEESVSA-N	265.309	1.737	10	20	CDCD	
COc1ccc(O)c([C@H](C)N[C@@H]2CCNC(=O)CC2)c1	396729238	COTRUJLGIVJINC-QWRGUYRKSA-N	278.352	1.720	10	20	CDCD	
COCc1noc(CN[C@H](C)c2ccccc2O)n1	879649341	NYQJWMSGXCSAHF-SECBINFHSA-N	263.297	1.772	10	20	CDCD	
Cc1n[nH]c(C)c1S(=O)(=O)N[C@H](C)c1ccccc1O	867833865	DISXDDGYKQBUTM-MRVPVSSYSA-N	295.364	1.772	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CN2CCSC2=O)cc1	7243627	QGRHUSPOTGPMDT-UHFFFAOYSA-N	293.392	1.538	10	20	CDCD	
Cc1ccc(C(=O)N[C@H]2[C@H]3CCO[C@@H]3C2(C)C)c(O)c1O	179514379	AFPZIIGSXDERTG-SWHYSGLUSA-N	291.347	1.950	10	20	CDCD	
CCCCCN1CC(=O)N[C@H]1c1cc([N+](=O)[O-])ccc1O	182319241	JQAMWTAQHJCBDV-CQSZACIVSA-N	293.323	1.921	10	20	CDCD	
CCC[C@@H]1C(=O)NCCN1Cc1cc2c(cc1O)OCO2	128860469	BUGTZAVRMQNBNM-LLVKDONJSA-N	292.335	1.221	10	20	CDCD	
COCCOCCCNCc1cc(C)ccc1O	71406750	MQEVRMTXPDQMQL-UHFFFAOYSA-N	253.342	1.843	10	20	CDCD	
COc1ccc(O)c(CNC(=O)NC[C@@]2(C)CCCO2)c1	128510508	ZWVSGJBOAPWTHB-OAHLLOKOSA-N	294.351	1.769	10	20	CDCD	
CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1cccc(O)c1O	187037677	XNUNBNXFXJIHPK-RKDXNWHRSA-N	280.324	1.131	10	20	CDCD	
Cc1ccc(C(=O)NCCc2cscn2)c(O)c1O	182404671	GZXAMTUMRFWFBM-UHFFFAOYSA-N	278.333	1.835	10	20	CDCD	
C[C@@H](Sc1nccs1)C(=O)NC[C@H]1CCCO1	48874463	WMWBVFMFZZYTMW-RKDXNWHRSA-N	272.395	1.919	10	20	CDCD	
CC(C)CCCCCCNC=C1C(=O)NC(=S)NC1=O	48403125	OKBXZEPOEDSSMR-UHFFFAOYSA-N	297.424	1.597	10	20	CDCD	
CSCC[C@@H](N)C(=O)NCc1ccccc1O	83399601	RGFJMZSFWHGKES-SNVBAGLBSA-N	254.355	1.089	10	20	CDCD	
C[C@H](NC(=O)CCCN)c1ccc(N2CCOCC2)cc1	237598941	QMTKXIFLXTZLGP-ZDUSSCGKSA-N	291.395	1.439	10	20	CDCD	
C[C@H](NC[C@@H]1CCN(S(C)(=O)=O)C1)c1ccccc1O	183628423	OFLQCWSQNIABOP-RYUDHWBXSA-N	298.408	1.324	10	20	CDCD	
COCCn1cc(CNCc2ccc3c(c2)CCO3)cn1	266229173	SYLJCBOKNPUAPJ-UHFFFAOYSA-N	287.363	1.754	10	20	CDCD	
O=C(N[C@@H]1CCO[C@@]2(CCOC2)C1)c1cccc(O)c1O	366150686	FFEUFDUUNZQUHU-BMIGLBTASA-N	293.319	1.166	10	20	CDCD	
CN(C)c1ccc(CN[C@]2(CCO)CCOC2)cc1	278498258	NFVVOCFJACHHJD-OAHLLOKOSA-N	264.369	1.384	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)[C@H]1C[C@@]12CCOC2	364929578	ARVSCMCBBBHBOF-QMTHXVAHSA-N	263.293	1.141	10	20	CDCD	
CO[C@@H](C(=O)NCc1ccc(N(C)C)c(F)c1)C1CC1	279425848	XIERRAFUXGTONX-CQSZACIVSA-N	280.343	1.933	10	20	CDCD	
COc1ccc(N2CCCN(C(=O)C(F)F)CC2)cc1	365120025	FPERBNAICVWENU-UHFFFAOYSA-N	284.306	1.999	10	20	CDCD	
Oc1cc2c(cc1CN1C[C@@H]3CCCN[C@@H]3C1)OCO2	271159148	CRHNTUALLBTRLK-CMPLNLGQSA-N	276.336	1.305	10	20	CDCD	
C[C@H]1NC(=O)N(Cc2ccc3c(c2)CCCN3C)C1=O	272450928	PEJGFEWVOXJBKM-SNVBAGLBSA-N	273.336	1.509	10	20	CDCD	
O=C(NC[C@H]1COC2(CCCC2)O1)c1cccc(O)c1O	280034096	YLYZCFZCPRBLMM-JTQLQIEISA-N	293.319	1.513	10	20	CDCD	
CCOc1cccc(CN2CC[C@H](n3cncn3)C2)c1O	372370119	SBJQVGICNYKQAU-ZDUSSCGKSA-N	288.351	1.829	10	20	CDCD	
Nc1ccc(CC(=O)N2CCC([C@@H]3CCNC3)CC2)cc1	295053197	PUBXXXGHZOGXDJ-OAHLLOKOSA-N	287.407	1.659	10	20	CDCD	
O=C(N[C@@H]1CCO[C@@H](C2CC2)C1)c1c(F)ccc(O)c1O	296390775	UXJTUNKRZYTDPP-BXKDBHETSA-N	295.310	1.924	10	20	CDCD	
CON1CCC(N[C@@H](C)c2cc([N+](=O)[O-])ccc2O)CC1	817588904	SKWPRBCBMFXCKO-JTQLQIEISA-N	295.339	1.977	10	20	CDCD	
O=C(COCc1cccnc1)NCc1ccc(O)c(O)c1	813488759	FGJOXDJDAPGBTC-UHFFFAOYSA-N	288.303	1.326	10	20	CDCD	
COc1ccc(N2CC[C@@H](CN[C@H](C)CC(N)=O)C2)cc1	818345921	YCZBHTOQWBCXKV-OLZOCXBDSA-N	291.395	1.375	10	20	CDCD	
COCC1(NCc2cc3c(cc2O)OCO3)CCOCC1	814301838	GLXQLLAPGBKDSS-UHFFFAOYSA-N	295.335	1.406	10	20	CDCD	
C[C@@H]1C[C@H](N[C@H]2[C@@H]3CNC[C@@H]32)c2c(O)ccc(F)c21	817978037	UMMYPQOLKLNXKC-KWVOZVHGSA-N	262.328	1.887	10	20	CDCD	
CCOc1cccc(CN2CCc3nn[nH]c3C2)c1O	827884766	HNCIQWPGKABWTG-UHFFFAOYSA-N	274.324	1.467	10	20	CDCD	
COC(=O)c1cccc(/C=C2/SC(=S)NC2=O)n1	821023195	ZDFOVAOYURYUQZ-VMPITWQZSA-N	280.330	1.357	10	20	CDCD	
Cc1cc(CN2CC[C@@](O)(C(=O)O)C2)ccc1N(C)C	903624010	VSWIMZJTZWCRBK-HNNXBMFYSA-N	278.352	1.082	10	20	CDCD	
C[C@H](OC(=O)c1cc(O)cs1)C(=O)NC[C@H]1CCCO1	734190407	WJPBSIGINMNUON-WCBMZHEXSA-N	299.348	1.294	10	20	CDCD	
COc1cc(O)c(CN(C)C[C@@H](C)C(=O)O)cc1OC	833728847	ANHUQGSKUTYLOX-SECBINFHSA-N	283.324	1.562	10	20	CDCD	
CC[C@H](NC(=O)c1cccc(O)c1O)C(=O)OC(C)(C)C	844091766	LDIFGGXIULJKDD-JTQLQIEISA-N	295.335	1.948	10	20	CDCD	
COc1cc(Cl)cc(CN[C@@H]2CCNC2)c1O	841044832	JNDKRZIAOSMTEQ-SNVBAGLBSA-N	256.733	1.506	10	20	CDCD	
C[C@@H](N)[C@@H]1CN(Cc2cc(Cl)cc(F)c2O)CCO1	843057086	GFUNYXHVXVLDGJ-PELKAZGASA-N	288.750	1.733	10	20	CDCD	
CN(C)c1ccc(CN[C@H](CO)[C@H]2CCCOC2)cc1F	840963671	SGNYJZNDOHNCSX-DZGCQCFKSA-N	296.386	1.769	10	20	CDCD	
COCCN1C(=O)C2(CC2)N[C@H]1c1cccc(Cl)c1O	840836913	KNGFRKNSZXWOAM-GFCCVEGCSA-N	296.754	1.655	10	20	CDCD	
CC(C)C1(C(=O)OCC(=O)c2ccc(O)c(O)c2)COC1	924206697	QBHRFOUOSGIUAI-UHFFFAOYSA-N	294.303	1.496	10	20	CDCD	
CN(Cc1cncn1C)c1ccc(OCC(=O)O)cc1	846279588	HDLLTAIBFGNPEZ-UHFFFAOYSA-N	275.308	1.520	10	20	CDCD	
CON(C)C(=O)[C@@H](C)N[C@H]1CCc2cccc(O)c21	858588897	UEKJBDGYIDANIV-KOLCDFICSA-N	264.325	1.377	10	20	CDCD	
CCC[C@@H](O)CC(=O)N(C)Cc1ccccc1O	750425087	RHIRZHQFUZDIJK-GFCCVEGCSA-N	251.326	1.902	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@H](C(=O)O)C1CC1	852951024	AXFVFBNPDNVINI-CQSZACIVSA-N	290.363	1.788	10	20	CDCD	
CO[C@H]1C[C@H](NCc2ccc(N3CCN(C)CC3)cc2)C1	858322553	ZZJYSXWLLLTDJI-JCNLHEQBSA-N	289.423	1.705	10	20	CDCD	
COC[C@@H]1CCCN1NC(=O)/C=C/c1ccc(O)c(O)c1	862594682	JYKQLWCPBAXBMM-PZBABLGHSA-N	292.335	1.253	10	20	CDCD	
Cc1cccc(CN(C)[C@]2(CO)CCOC2)c1O	862427383	XDYRPSSRWKWBPU-AWEZNQCLSA-N	251.326	1.284	10	20	CDCD	
COCCCN1CCN(c2ccc(OC)cc2OC)CC1	879462254	MJCZDGMUYINLEZ-UHFFFAOYSA-N	294.395	1.862	10	20	CDCD	
CCC[C@@H](O)CC(=O)N[C@H](C)Cc1ccc(O)c(O)c1	773745995	SCTKHCWARAJVGF-ZYHUDNBSSA-N	281.352	1.696	10	20	CDCD	
CO[C@@H]1CN(Cc2ccc(N(C)C)c(C)c2)CCO1	878970531	SVVDVXGZOMSMGC-HNNXBMFYSA-N	264.369	1.866	10	20	CDCD	
C[C@H](NC(=O)NCCN(C)C)c1ccc(N(C)C)cc1	776242637	APNQKVDAFYPOID-LBPRGKRZSA-N	278.400	1.674	10	20	CDCD	
COc1ccc(N(C)CC2OCCO2)cc1OC	777564406	YITIFCNEUKRANR-UHFFFAOYSA-N	253.298	1.513	10	20	CDCD	
C[C@H]1[C@@H](C)N(C)CCN1Cc1cc2c(cc1O)OCO2	775986193	POSRHYJHQFIUBI-MNOVXSKESA-N	278.352	1.645	10	20	CDCD	
CCN(C)c1ccc(CN2CCNC(=O)C2(C)C)cc1	773755685	VUJMSQZESLHDNH-UHFFFAOYSA-N	275.396	1.853	10	20	CDCD	
COc1ccc(CN[C@@](C)(CO)C2CC2)c(O)c1OC	893368785	ZWGOGWFXXIUBHP-HNNXBMFYSA-N	281.352	1.660	10	20	CDCD	
CC[C@H](C)C[C@@H](N)C(=O)NCc1ccc(OC)cc1O	1122064808	JEZIZDOKMNRPMN-GXFFZTMASA-N	280.368	1.781	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)OCCC1OCCO1	781193786	SDKUOXAVIXDRID-DUXPYHPUSA-N	280.276	1.417	10	20	CDCD	
COc1ccc(CN[C@@H]2COCC[C@H]2OC)c(O)c1OC	897889043	MCZZZOSLBAXOIF-VXGBXAGGSA-N	297.351	1.303	10	20	CDCD	
COc1cc(C)cc(CN(C)[C@@H]2CCCCNC2=O)c1O	893984983	WFGVNGZAQCJILI-CYBMUJFWSA-N	292.379	1.810	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@@H](OC)C2CC2)c1	792238627	TXGUMPVCUMDLJE-ZDUSSCGKSA-N	265.309	1.442	10	20	CDCD	
CCC[C@](C)(O)C(=O)NCc1ccc(OC)cc1O	794381098	KWYPCAXGBDUZNB-AWEZNQCLSA-N	267.325	1.568	10	20	CDCD	
COc1cccc(CNC[C@H](CO)[C@H]2CCOC2)c1O	795582150	IWAXQVGWGXFCFC-QWHCGFSZSA-N	281.352	1.135	10	20	CDCD	
CN(C)c1ccc(CN2C(=O)NC3(CC3)C2=O)cc1F	1320754946	XRTFDWOIOZRBSZ-UHFFFAOYSA-N	277.299	1.476	10	20	CDCD	
Nc1ccc(CN[C@@H]2C[C@H]3CCCCN3C2=O)cc1	1334774471	IVXQWPUEPDUNHC-ZIAGYGMSSA-N	259.353	1.512	10	20	CDCD	
Cc1c(CN[C@H](C)c2cc(C(=O)O)ccc2O)cnn1C	1610414620	FYPQRWFLBXVUOG-SECBINFHSA-N	289.335	1.983	10	20	CDCD	
O=C(NCc1ccc2cccnc2c1O)[C@]12C[C@H]1CCCN2	1580718579	UYYPNZDADHAMEP-DYVFJYSZSA-N	297.358	1.699	10	20	CDCD	
C[C@@H](NC(=O)c1coc(-c2nn[nH]n2)c1)c1ccccc1O	1591730189	XZKZABAGYBDVMW-MRVPVSSYSA-N	299.290	1.656	10	20	CDCD	
CC[C@H](Sc1ncc(C(=O)O)s1)C(=O)OC	1595358381	DMRVTGGBUALJEZ-YFKPBYRVSA-N	261.324	1.885	10	20	CDCD	
CCOc1ccc(O)c(CN[C@@H]2CCN(C(C)=O)C2)c1	152934705	WHAPHMVFWMZILO-CYBMUJFWSA-N	278.352	1.501	10	20	CDCD	
CN(C)c1ccc(CN(CCO)C2CC2)cc1F	153603375	KEURBRNZAKFROR-UHFFFAOYSA-N	252.333	1.848	10	20	CDCD	
OCCN(Cc1cc2c(cc1O)OCO2)C1CC1	153623941	HVRTUNIQKMIRNR-UHFFFAOYSA-N	251.282	1.078	10	20	CDCD	
CC[C@H](C)[C@H](NC(=O)Cc1ccc(N)cc1)C(=O)OC	37044891	QQLSKUPFXSBNSX-HZMBPMFUSA-N	278.352	1.515	10	20	CDCD	
C[C@H](NCC(=O)NCC(F)F)c1cc(F)ccc1O	280936824	SEMPMPIHPCGCCC-ZETCQYMHSA-N	276.258	1.563	10	20	CDCD	
C[C@@H](N[C@@H]1CCCNC1=O)c1ccc(N(C)C)cc1	50395131	QMBKARQQPGIJMK-BXUZGUMPSA-N	261.369	1.682	10	20	CDCD	
CNC(=O)C[C@H](C)NCc1cc(F)cc(F)c1O	708388043	FUPWTQJUTSVJJU-ZETCQYMHSA-N	258.268	1.285	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)Cc1cccnc1	383731774	MELMWXOHLJYNCP-UHFFFAOYSA-N	256.305	1.988	10	20	CDCD	
C[C@@H]1C[C@H](C(=O)O)CN(C(=O)Cc2ccc(N)cc2)C1	398710720	XAYGXYGRUFBWSE-PWSUYJOCSA-N	276.336	1.381	10	20	CDCD	
COc1ccc(O)c(CN[C@H](CO)C[C@@H]2CCCO2)c1	895746115	BVZJCGYFPXSJPB-JSGCOSHPSA-N	281.352	1.420	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CCn1cncn1	54810834	SSBHZDSSXJJMFB-UHFFFAOYSA-N	287.367	1.393	10	20	CDCD	
C[C@@H](NCC1(CS(C)(=O)=O)CC1)c1ccccc1O	179904379	OVXZUIFGCHNTET-LLVKDONJSA-N	283.393	1.868	10	20	CDCD	
c1cc(N2CCOCC2)ccc1CNCCN1CCCC1	20127044	XRTGYKZVHKDXIT-UHFFFAOYSA-N	289.423	1.709	10	20	CDCD	
COc1ccc(O)c(CN2CCC[C@H](C(N)=O)C2)c1	183374685	RAXRWVOKSKHERS-JTQLQIEISA-N	264.325	1.098	10	20	CDCD	
CNCCN(C)C(=O)NCc1c(C)c2ccccc2n1C	418104336	XWEXTNWCKDXIHG-UHFFFAOYSA-N	288.395	1.848	10	20	CDCD	
O=C1NC(=S)NC(=O)C1=CNc1cccc2ncccc12	121023464	PLZPKQFHKLKOSA-UHFFFAOYSA-N	298.327	1.062	10	20	CDCD	
C[C@H]1C[C@H](NC(=O)c2cccc(O)c2O)CN1C1CC1	185819883	AWOWDZAFPOIYCB-UWVGGRQHSA-N	276.336	1.453	10	20	CDCD	
CO[C@H](C)CC(=O)N[C@H](C)Cc1ccc(O)c(O)c1	183478307	OXKDPHUGWASERC-NXEZZACHSA-N	267.325	1.570	10	20	CDCD	
CC[C@H](C)OCC(=O)NCc1cccc(OC)c1O	134180185	GUGRKRSKZCCHLA-JTQLQIEISA-N	267.325	1.832	10	20	CDCD	
CCN(CC)C(=O)CNCc1cc(C)ccc1O	134652969	WKPZLGGDWAFQGC-UHFFFAOYSA-N	250.342	1.659	10	20	CDCD	
COc1ccc(N(C)CCN2CCCC2=O)c(OC)c1	131604773	RHDBOHRTPUHPJL-UHFFFAOYSA-N	278.352	1.762	10	20	CDCD	
CCN1CCCC[C@H]1C(=O)NCc1ccccc1O	264219792	JSVRMOIBKZFPLE-ZDUSSCGKSA-N	262.353	1.883	10	20	CDCD	
C[C@H]1CCN(Cc2cc3c(cc2O)OCO3)CC[S@@]1=O	277290291	AGLSPWCLBBIZGQ-FVINQWEUSA-N	297.376	1.464	10	20	CDCD	
CNC(=O)CCN(C)Cc1ccc(N(C)C)c(F)c1	271146190	HQXDFTZGKRWIHW-UHFFFAOYSA-N	267.348	1.460	10	20	CDCD	
CCOc1ccc(O)c(CN[C@H]2COC[C@@H]2OC)c1	289895409	SXJMEWMJHFMENO-JSGCOSHPSA-N	267.325	1.294	10	20	CDCD	
CCCN(Cc1cc(C)ccc1O)[C@@H]1CC(=O)N(C)C1=O	282952319	HIKMFQYNMZKESF-CYBMUJFWSA-N	290.363	1.670	10	20	CDCD	
COC[C@H]1CN(Cc2ccc(N(C)C)c(C)c2)CCO1	292932522	ZEXOYXQUVPLBAR-OAHLLOKOSA-N	278.396	1.908	10	20	CDCD	
CC(=O)C(=O)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21	808032523	UYVUOKOUUPOBKW-UHFFFAOYSA-N	281.655	1.756	10	20	CDCD	
CN(CC(=O)NCc1ccc(N)cc1)C(=O)OC(C)(C)C	297225867	OICLAYQGIHIJBM-UHFFFAOYSA-N	293.367	1.752	10	20	CDCD	
COC(=O)[C@H](N(C)Cc1ccccc1O)C1(OC)CCC1	290042000	OCAJXRFSQNFZGT-AWEZNQCLSA-N	293.363	1.935	10	20	CDCD	
CCN(Cc1cc2c(cc1O)OC[C@@H]2O)C[C@@H](C)OC	812304518	XEOOXXDQBHSILJ-YGRLFVJLSA-N	281.352	1.675	10	20	CDCD	
C[C@H](CNCc1ccc(N2CC=CC2)cc1)S(C)(=O)=O	819096812	VDENWXLXHMZSOZ-CYBMUJFWSA-N	294.420	1.586	10	20	CDCD	
COC[C@]1(C(=O)O)CCCN1Cc1ccc(N(C)C)cc1	818629798	MGOPUCZRLOZLPO-INIZCTEOSA-N	292.379	1.818	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)CCn1ccnc1	734406506	YIUGOBUIPBVTMF-UHFFFAOYSA-N	286.379	1.964	10	20	CDCD	
CCO[C@@H]1COC[C@H]1NCc1ccc(N(C)C)c(F)c1	825197584	ZTPRRGPTHISAPS-UKRRQHHQSA-N	282.359	1.785	10	20	CDCD	
CN1CCN(C(=O)/C=C/c2cccnc2)c2cccnc21	492044801	IRHHHSINXWPJAS-VOTSOKGWSA-N	280.331	1.973	10	20	CDCD	
COC(=O)CC(C)(C)NCc1cc2c(cc1O)OCO2	741255238	NMVWXGKUFLQPIB-UHFFFAOYSA-N	281.308	1.552	10	20	CDCD	
CCN(CC(=O)N1CCO[C@@H](C)C1)c1ccc(OC)cc1	746109447	OSNHARJBBQBFFK-ZDUSSCGKSA-N	292.379	1.769	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NC[C@@H](N)C2CC2)cc1F	841762275	VPUJRZDXMYAZMS-CYBMUJFWSA-N	294.374	1.428	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)[C@@H]1CCCS1	910951906	XWTZJHCKAUGFKU-NSHDSACASA-N	253.323	1.610	10	20	CDCD	
Oc1cc2c(cc1CNCc1cccc(F)n1)OCO2	747939336	ZBUTXONORZEVMN-UHFFFAOYSA-N	276.267	1.945	10	20	CDCD	
C[C@@H](CCN(C)C)NC(=O)NCCc1ccc(N)cc1	841749087	AARNZWOSHRUVHC-LBPRGKRZSA-N	278.400	1.451	10	20	CDCD	
CCOc1cccc(CN2CC(S(=O)(=O)CC)C2)c1O	841885582	FLZLHWLUIVMHJT-UHFFFAOYSA-N	299.392	1.410	10	20	CDCD	
CCCCN(CCOC)C(=O)C(=O)Nc1ccc(N)cc1	841035029	YKGYGAOCJAUMJI-UHFFFAOYSA-N	293.367	1.482	10	20	CDCD	
CN(Cc1cc(Cl)cc(F)c1O)[C@@H]1CCNC1	843049752	VKYRUTZDFYOBLT-SNVBAGLBSA-N	258.724	1.978	10	20	CDCD	
O=C(c1c(F)ccc(O)c1O)N1CC[C@@H]2OCC[C@@H]2C1	844147820	XYYWWIWALVCGNI-KCJUWKMLSA-N	281.283	1.488	10	20	CDCD	
CN(C)c1ccc([C@H](N)CNC(=O)C2(N)CCCC2)cc1	841845664	CRGLMWOODJKSAU-CQSZACIVSA-N	290.411	1.140	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)NCC(C)(C)N	841949876	IJKBGKARXHPALT-UHFFFAOYSA-N	278.400	1.631	10	20	CDCD	
CCN1CCC[C@H](NCc2cc([N+](=O)[O-])ccc2O)C1=O	922639383	JXNYVGOVMTUSEX-LBPRGKRZSA-N	293.323	1.401	10	20	CDCD	
CON1CCC(NC(=O)c2cc(O)cs2)CC1	854968935	RCJMDUVYXJXSJB-UHFFFAOYSA-N	256.327	1.209	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)OCCn1cccn1	759590836	YAWGPPHGHLOXKA-HYXAFXHYSA-N	274.276	1.551	10	20	CDCD	
Cn1nncc1C(=O)NCc1cc(Cl)ccc1O	857548665	RZIPBGSFHVTGMH-UHFFFAOYSA-N	266.688	1.104	10	20	CDCD	
CS(=O)(=O)CC1(CNC(=O)c2cc(O)cs2)CC1	752821153	SVWFNOHNUHQFEX-UHFFFAOYSA-N	289.378	1.008	10	20	CDCD	
CN1CCN(C(=O)/C=C\c2cn(C)cn2)c2cccnc21	934198206	KLRAHWOKLYZTJZ-WAYWQWQTSA-N	283.335	1.311	10	20	CDCD	
CN(CCNC(=O)c1c(F)ccc(O)c1O)CC(F)F	863944909	UDUJPKAOUKUNNQ-UHFFFAOYSA-N	292.257	1.164	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cn(CC)nn1	935944448	SOAQXLPJTDNYOT-UHFFFAOYSA-N	295.339	1.419	10	20	CDCD	
C[C@@H](CCO)NCc1ccc(N2CCC(CO)CC2)cc1	779393534	SAPSPKLQTOJZRR-AWEZNQCLSA-N	292.423	1.756	10	20	CDCD	
CCOc1ccc(CN2C[C@@H](O)[C@@H](CC)C2)c(O)c1	770383456	VLBWQODCJMEJTG-XHDPSFHLSA-N	265.353	1.994	10	20	CDCD	
CSC[C@@H](CCO)NC(=O)/C=C\c1ccc(O)c(O)c1	779532193	FSYBOVJKGBVBLA-USEMIUTHSA-N	297.376	1.341	10	20	CDCD	
Nc1ccc(CN2CCC(N3CCNC3=O)CC2)cc1	1120371079	OYPTZQXCLPDMPH-UHFFFAOYSA-N	274.368	1.258	10	20	CDCD	
Nc1ccc(CNC(=O)NCCC[C@H]2CCCN2)cc1	1120544571	BHRCULWSKWXMNB-CQSZACIVSA-N	276.384	1.600	10	20	CDCD	
COc1ccc(CN2CCC[C@@H]2CCO)c(O)c1OC	893715637	CLCMPANOIMQFME-GFCCVEGCSA-N	281.352	1.756	10	20	CDCD	
C[C@H]1CN(C(=O)c2cc(O)cs2)CC2(CCOCC2)O1	791057951	BLDUKENZBSYETI-JTQLQIEISA-N	297.376	1.864	10	20	CDCD	
Cc1noc(C(=O)N(C)Cc2ccc(N(C)C)cc2)n1	791308264	STOCYGRSIMPHLH-UHFFFAOYSA-N	274.324	1.716	10	20	CDCD	
COc1ccc(CNC(=O)CC(C)(C)O)c(O)c1	794377522	JNFFRDCFNOOWLB-UHFFFAOYSA-N	253.298	1.178	10	20	CDCD	
Cc1ccc(O)c(CN[C@@H](C)CN2CCOCC2)c1	71407214	HSQLOCLDFUTINM-ZDUSSCGKSA-N	264.369	1.511	10	20	CDCD	
CCN(C)C(=O)[C@@H](C)N[C@@H](C)c1cc(OC)ccc1O	188501279	UDTAXLMLRLNFGU-WDEREUQCSA-N	280.368	1.918	10	20	CDCD	
COc1ccc(CN[C@@H]2CCC(=O)N(C)C2=O)cc1C	90027611	PGYAUKQVBBVISU-GFCCVEGCSA-N	276.336	1.241	10	20	CDCD	
COc1cccc(CN2C[C@@H](C)N(C)C[C@@H]2C)c1O	775984583	GZFWCEUIBZBRGC-NEPJUHHUSA-N	264.369	1.925	10	20	CDCD	
CC1(C)C[C@H](C(=O)NCc2ccc(O)cc2O)CCO1	1335995296	XOZVYSDVUCGULF-SNVBAGLBSA-N	279.336	1.919	10	20	CDCD	
C[C@@]1(N)CCCC[C@@H]1C(=O)NCc1ccc(N)cc1	1343567883	UIXBJIYUVXYQNV-UKRRQHHQSA-N	261.369	1.793	10	20	CDCD	
C[S@@](=O)CCSc1ncc(C(=O)O)s1	1610378867	JRUNULWOZUZIDR-CQSZACIVSA-N	251.354	1.312	10	20	CDCD	
Cc1ccc(C(=O)N2CCC(CC(=O)O)CC2)c(O)c1O	1610484202	ZEKGLHWLWFPUPT-UHFFFAOYSA-N	293.319	1.733	10	20	CDCD	
Cc1ccc(C(=O)N[C@](C)(CN)CC(C)C)c(O)c1O	1579661257	RGEXSKCFGHXNHG-HNNXBMFYSA-N	280.368	1.900	10	20	CDCD	
Cc1nc(N)sc1C(=O)NCc1ccc(O)cc1O	1579862875	NNPZMZSUXSDHJI-UHFFFAOYSA-N	279.321	1.375	10	20	CDCD	
N[C@@H]1C[C@H]2C[C@@]2(C(=O)N2Cc3cccc(O)c3C2)C1	1580402434	ZHUZUSJZLPEHMF-FIXISWKDSA-N	258.321	1.362	10	20	CDCD	
C[C@@H](NC[C@@H]1CCCN1C)c1cc(C(=O)O)ccc1O	1593286442	SVHNHXBYNFAEAL-PWSUYJOCSA-N	278.352	1.835	10	20	CDCD	
COc1ccc(O)c([C@@H](C)N[C@H](C)CC(=O)O)c1	1594105468	MKPVTEQKXNSETJ-RKDXNWHRSA-N	253.298	1.915	10	20	CDCD	
CCCC[C@@H](NCc1ccc(N(C)C)cc1)[C@H](O)C(=O)O	1776772974	CYCANDQDFINRIJ-CABCVRRESA-N	294.395	1.847	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NCCOCCN(C)C)c1	219324385	FDHMHDIYFVTDIG-GFCCVEGCSA-N	282.384	1.630	10	20	CDCD	
Cc1cc(CNCc2cc3c(cc2O)OCO3)no1	44693391	XHCDHVOLBWPCIE-UHFFFAOYSA-N	262.265	1.707	10	20	CDCD	
CCC(CC)(CO)CNC(=O)c1cccc(O)c1O	193146915	VUPOFMRIZOUIAP-UHFFFAOYSA-N	267.325	1.626	10	20	CDCD	
CCOc1cccc(CN2CC[C@@H](CC(N)=O)C2)c1O	367703411	JCIDIGONQFPCLL-NSHDSACASA-N	278.352	1.488	10	20	CDCD	
COc1cccc(CNCCCn2cncn2)c1O	394331432	PLYLNGIYCMCGRP-UHFFFAOYSA-N	262.313	1.172	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N2CCC[C@@H](N)C2)cc1	841656247	YGVCDGMROLCYSE-CYBMUJFWSA-N	276.384	1.385	10	20	CDCD	
NC[C@]12CCC[C@H]1CN(C(=O)Cc1ccc(N)cc1)C2	846689331	RIMZUAQEUGFNHI-BBRMVZONSA-N	273.380	1.399	10	20	CDCD	
COC(=O)CCC(=O)N1CCOc2cc(N(C)C)ccc21	173204090	QKIGYLMQVHZVTQ-UHFFFAOYSA-N	292.335	1.431	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1csnn1	115490698	PUCVUMNNSIQWEM-UHFFFAOYSA-N	276.365	1.843	10	20	CDCD	
O=C(NC1CC1)[C@@H]1CCCN1Cc1ccccc1O	179559043	LLALDAMYDPJPAP-ZDUSSCGKSA-N	260.337	1.635	10	20	CDCD	
CCOc1cccc(CN2C[C@@H](N)[C@H](C)C2)c1O	300083012	FMRZQGQZNJYLHH-ZYHUDNBSSA-N	250.342	1.570	10	20	CDCD	
CCN(Cc1cc(Cl)cc(OC)c1O)[C@@H]1CCNC1=O	281733287	JJOSHEJGJUKPHR-LLVKDONJSA-N	298.770	1.765	10	20	CDCD	
CCO[C@@H]1C[C@H]1C(=O)NCc1ccc(O)c(O)c1	182532379	YTMTUBJROCJQNP-BXKDBHETSA-N	251.282	1.139	10	20	CDCD	
O=C(N[C@H]1CCCSC1)c1cccc(O)c1O	126558351	OGDOKZNFAWUUJJ-QMMMGPOBSA-N	253.323	1.723	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCC(=O)N1	73029405	GOKFCEUGRAHIRX-AWEZNQCLSA-N	289.379	1.380	10	20	CDCD	
Cc1cc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)no1	183416189	FAJXZJMKRBILHF-QMMMGPOBSA-N	276.292	1.755	10	20	CDCD	
COc1cccc(CN[C@H](C(=O)O)C(C)C)c1O	43429704	URYNQZYFVVCWIL-NSHDSACASA-N	253.298	1.600	10	20	CDCD	
COc1ccc(O)c(CN[C@@H](C(=O)O)C2CC2)c1	86758894	TXBBZUOFWGILEU-GFCCVEGCSA-N	251.282	1.354	10	20	CDCD	
CN(C)c1ccc(CN2CCC[C@@H](CC(N)=O)C2)cc1	93808365	GAJTVGBZTLADLT-AWEZNQCLSA-N	275.396	1.840	10	20	CDCD	
CC(C)O[C@@]1(C)C[C@H]1NC(=O)c1cccc(O)c1O	529970877	VURMZYUGZGJXKF-RISCZKNCSA-N	265.309	1.784	10	20	CDCD	
COc1cccc(CNC2CCC(NC(C)=O)CC2)c1O	263695546	QCJPNNXJSHILOS-UHFFFAOYSA-N	292.379	1.938	10	20	CDCD	
COc1cccc(CNc2c([N+](=O)[O-])ncn2C)c1O	263879004	NIBZWTJXKFFFDO-UHFFFAOYSA-N	278.268	1.655	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCOC2(CCOCC2)C1	279992123	UDZIHKHNZADTNO-UHFFFAOYSA-N	293.319	1.119	10	20	CDCD	
CNC(=O)CCCN[C@H](C)c1ccc(F)c(F)c1O	276919544	MHWZOARKYQGBFB-MRVPVSSYSA-N	272.295	1.847	10	20	CDCD	
Cc1ccc(C(=O)N[C@]2(C)CCOC2)c(O)c1O	272706026	CJTPMKQGEBZGKW-CYBMUJFWSA-N	251.282	1.315	10	20	CDCD	
COc1ccc2c(c1)CCCCN2CCNS(C)(=O)=O	270831094	CXGAUTRVQBQSGP-UHFFFAOYSA-N	298.408	1.387	10	20	CDCD	
C[C@H](NCc1cnnn1C)c1cc([N+](=O)[O-])ccc1O	287167647	BYWUIEYTZZIRON-QMMMGPOBSA-N	277.284	1.280	10	20	CDCD	
COC[C@]1(C)CCN(C(=O)c2c(F)ccc(O)c2O)C1	295306648	BKLDWFCHRBIKFJ-CQSZACIVSA-N	283.299	1.736	10	20	CDCD	
CCCOc1ccc(CN2CC(=O)N[C@@H](C)C2)c(O)c1	294943998	HDHYQNFUNBNJHE-NSHDSACASA-N	278.352	1.501	10	20	CDCD	
C[C@H]1CN(C(=O)c2cccc(O)c2O)CCN(C2CC2)C1	295479722	ZAAFYIMDERIYCV-LLVKDONJSA-N	290.363	1.654	10	20	CDCD	
CC(C)N(Cc1cc2c(cc1O)OCO2)C1COC1	296038102	NVAJWTIYFXGOJX-UHFFFAOYSA-N	265.309	1.730	10	20	CDCD	
COc1cc(O)c(CN2CC[C@H](O)C[C@@H]2C)cc1OC	292770317	KLPAVGQDZNGDHA-JQWIXIFHSA-N	281.352	1.755	10	20	CDCD	
CN(Cc1ccccc1O)S(=O)(=O)CC[C@@H]1CCOC1	293671223	ZLNKMCAUPMOVNS-LBPRGKRZSA-N	299.392	1.580	10	20	CDCD	
OC/C=C\CNCc1ccc(Br)cc1O	717532810	QWPZWOZILAXVDJ-UPHRSURJSA-N	272.142	1.793	10	20	CDCD	
O=C(N[C@H]1C[C@@H]2C[C@]2(C(=O)O)C1)c1cccc(O)c1O	712964310	QOHZTYZZTSQKJL-KXEKKFMESA-N	277.276	1.081	10	20	CDCD	
CC(=O)N[C@H]1CCN(Cc2cc(C)cc(C)c2O)C1	817366202	QBUPUMWHGBXLKU-AWEZNQCLSA-N	262.353	1.719	10	20	CDCD	
Oc1ccccc1CNc1cnccc1-c1nn[nH]n1	826511503	SMCQPUDSIIERHI-UHFFFAOYSA-N	268.280	1.579	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CCCN1C=O	827955810	KKTOMYVLNVUFQP-HNNXBMFYSA-N	289.379	1.298	10	20	CDCD	
CCO[C@@H]1COC[C@H]1NCc1cc(OC)ccc1O	825196625	KLZBTVBVMWRDNX-TZMCWYRMSA-N	267.325	1.294	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)NCCC1(CO)CC1	836968216	KUYDTYHLTNMKDM-RQOWECAXSA-N	277.320	1.390	10	20	CDCD	
CCCNC(=O)[C@H]1CCCN(C(=O)c2cc(O)cs2)C1	731872317	DOMSPKXJBGFQIU-JTQLQIEISA-N	296.392	1.832	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@H](O)C(C)(C)C)cc1	735840132	DNIHQWSKSGZFLF-CYBMUJFWSA-N	264.369	1.776	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNCCS(=O)(=O)C1CC1	840967377	ZOBXGILXIWVSCU-UHFFFAOYSA-N	296.436	1.728	10	20	CDCD	
COc1ccc(N(C)CCN(C)C(=O)C[C@H](C)N)cc1	846697762	VVMDYIVSOVNWKB-LBPRGKRZSA-N	279.384	1.327	10	20	CDCD	
O=C(NCCCSc1nccs1)N[C@H]1CCNC1	841856810	KTVDLDKVYLIZGO-VIFPVBQESA-N	286.426	1.286	10	20	CDCD	
CN[C@@H](C)C(=O)NCc1ccc2c(c1)CCCN2C	848412401	QBVNBUNXLGTWMU-NSHDSACASA-N	261.369	1.293	10	20	CDCD	
COc1ccc(CNC(=O)N[C@H]2CCC[C@H](N)C2)c(O)c1	841981978	LWPYHWQABTZFCO-RYUDHWBXSA-N	293.367	1.470	10	20	CDCD	
C[C@@H](CCO)N(C)Cc1ccc(N2CCN(C)CC2)cc1	846112727	XFGLPYBCWWKIPV-HNNXBMFYSA-N	291.439	1.641	10	20	CDCD	
CN(C)C(=O)[C@H]1CCN(Cc2c(O)ccc3ccncc23)C1	840173693	FFFHPKBHZZOXHM-ZDUSSCGKSA-N	299.374	1.851	10	20	CDCD	
COc1cccc(O)c1CN[C@H]1CC[C@@H](CN)C1	841085321	ZHVSJUFVFZOOCH-MNOVXSKESA-N	250.342	1.618	10	20	CDCD	
C[C@H](NC[C@@H](O)Cn1ccnn1)c1ccc(N(C)C)cc1	840808872	YBODVUQQMLKTEP-SWLSCSKDSA-N	289.383	1.056	10	20	CDCD	
CCOC(=O)[C@@H]1C[C@H]1C(=O)NCc1ccc(N(C)C)cc1	929404749	NBLMXVAAISDGMP-ZIAGYGMSSA-N	290.363	1.568	10	20	CDCD	
Cc1ccc(O)c([C@@H](C)NC[C@@H](O)CN2CCCC2)c1	756450624	SZZIGITXEJOVOL-ZIAGYGMSSA-N	278.396	1.808	10	20	CDCD	
COc1cccc(O)c1CN1CC[C@H](C)[C@@H](CO)C1	857062151	YRVRYROPGWHQKS-NWDGAFQWSA-N	265.353	1.851	10	20	CDCD	
COC[C@H](C)CC(=O)NCc1cccc(OC)c1O	755774793	LZXYQDXNFYTLHX-SNVBAGLBSA-N	267.325	1.690	10	20	CDCD	
O=C(N[C@H](CCO)C(F)(F)F)c1cc(O)cs1	854616811	VJXOFIONCNCJJO-SSDOTTSWSA-N	269.244	1.497	10	20	CDCD	
CCOC(=O)CCCCOC(=O)c1cccc(O)c1O	758556073	DIGAJQFNDWPVBR-UHFFFAOYSA-N	282.292	1.988	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NC[C@@H]2CCCO2)c1	858603401	COSFCWIXPQDYDQ-LBPRGKRZSA-N	264.325	1.679	10	20	CDCD	
O=C1[C@H]2CCCN2C(=O)N1Cc1ccc(N2CC=CC2)cc1	761359045	HRTLJUAPUSUKHO-OAHLLOKOSA-N	297.358	1.989	10	20	CDCD	
Cc1ccc(C(=O)OC[C@H]2CCO[C@H]2C)c(O)c1O	869375573	ZNQGSBDQWCGECQ-VHSXEESVSA-N	266.293	1.988	10	20	CDCD	
CCOc1ccc([C@@H]2NC(=O)[C@H]3CSCCN32)c(O)c1	765518349	BEUZOGYQXZYULM-DGCLKSJQSA-N	294.376	1.337	10	20	CDCD	
NC(=O)N=Nc1ccc(C(=O)NC2CN(CCF)C2)cc1	1031464743	ZHNVOBHKOKTTBQ-UHFFFAOYSA-N	293.302	1.233	10	20	CDCD	
CN(C)c1ccc(CN2CCN(C(C)(C)CO)CC2)cc1	769447491	VTUUKAFHMYNAEC-UHFFFAOYSA-N	291.439	1.641	10	20	CDCD	
CC[C@@H](OC(=O)c1ccc(C)c(O)c1O)C(=O)OC	762809463	YVLIZJLRACFSMZ-SECBINFHSA-N	268.265	1.515	10	20	CDCD	
COc1ccc(N2CCN(CCF)CC2)c(OC)c1	879463453	XBHLIXHMPALFRF-UHFFFAOYSA-N	268.332	1.795	10	20	CDCD	
O=C(CSc1nncs1)NCc1ccc(O)c(O)c1	778917091	VYFYAGSFTMWVAE-UHFFFAOYSA-N	297.361	1.358	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2C[C@H](O)C[C@]2(C)CO)c1O	878983749	QFASGOHJJRSPPA-IUODEOHRSA-N	297.326	1.052	10	20	CDCD	
CCC[C@@H](NC(=O)c1cc(O)cs1)C(=O)OC	774393952	NASUVZAEMUMYDU-MRVPVSSYSA-N	257.311	1.525	10	20	CDCD	
COCCO[C@H]1COCC[C@H]1NCc1cccc(C)c1O	777219934	OHTFBGRSILLOPY-CABCVRRESA-N	295.379	1.611	10	20	CDCD	
C/C=C\C[C@H](CO)NCc1c(O)cccc1OC	883090041	AUQFGMRGEUIQMN-DLRQAJBASA-N	251.326	1.818	10	20	CDCD	
COCCOC(=O)NCCCSc1nccs1	885010945	YKQDDXUYYQDSTQ-UHFFFAOYSA-N	276.383	1.998	10	20	CDCD	
COCCOC(=O)N[C@@H](C)c1cc(OC)ccc1O	885026709	XOLVQBHMIPISTI-VIFPVBQESA-N	269.297	1.834	10	20	CDCD	
O=C(COC(=O)C1CC(F)(F)C1)c1ccc(O)c(O)c1	784068844	YNRPVTPTIHPEQA-UHFFFAOYSA-N	286.230	1.869	10	20	CDCD	
COc1cc(C)cc(CNC[C@@H]2CCCNC2=O)c1O	894983321	BQIVJBQSXPWZEX-NSHDSACASA-N	278.352	1.325	10	20	CDCD	
COc1ccc(O)c(CN2CCC[C@@H](CN)C2)c1	44527991	ADERXPHJZXENHQ-NSHDSACASA-N	250.342	1.572	10	20	CDCD	
CC(C)(O)CC(=O)NCCCSc1nccs1	792164937	KUHLJRZAPXWXMY-UHFFFAOYSA-N	274.411	1.903	10	20	CDCD	
C[C@@H]1CCN(C(=O)C(=O)NCCc2ccc(N)cc2)[C@@H]1C	1325428762	TWHYPUYXSNCTDV-VXGBXAGGSA-N	289.379	1.184	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@]1(F)CCOC1	1324060943	LBBLJUCUQCRFHO-HNNXBMFYSA-N	280.343	1.840	10	20	CDCD	
COc1cc(O)c(CN[C@H](C)c2noc(C)n2)cc1OC	1329850095	ODMXTQDOAMQEMJ-MRVPVSSYSA-N	293.323	1.952	10	20	CDCD	
O=C(N[C@H]1CC[C@H](CO)CC1)c1cccc(O)c1O	193142992	QRHHUHLEVIWZNK-AOOOYVTPSA-N	265.309	1.379	10	20	CDCD	
CC[C@@H]1CCCN1C(=O)C(=O)NCCc1ccc(N)cc1	1325747393	WJCGQILPOAISKI-CQSZACIVSA-N	289.379	1.329	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)NC1(C)COC1	1349333518	XKSQKNHWHJIGNN-UHFFFAOYSA-N	277.368	1.649	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NCC2(C(=O)O)CCC2)c1	1341328744	YZLWJLAOQSLXCF-UHFFFAOYSA-N	292.335	1.755	10	20	CDCD	
COC[C@H](C)N[C@H](C)c1cccc(-c2nn[nH]n2)c1O	1605129765	VHWRUXDEOORLQI-DTWKUNHWSA-N	277.328	1.258	10	20	CDCD	
Nc1ccc(CNC(=O)N2CCC(C(=O)O)CC2)cc1	1601215562	FLALSTRBZPFOPS-UHFFFAOYSA-N	277.324	1.275	10	20	CDCD	
O=C(O)/C=C\c1ccc(N2CCO[C@@H]3C[C@@H]32)c([N+](=O)[O-])c1	1608660765	AUKCPZPXMOLQCO-GQYCNYHZSA-N	290.275	1.670	10	20	CDCD	
O=C(O)[C@@]1(O)CCN(Cc2c(O)cccc2Cl)C1	1608578472	YRDIUTCVWDUHAF-GFCCVEGCSA-N	271.700	1.067	10	20	CDCD	
C/C(=C\c1cccnc1)C(=O)N1CCCn2ncc(N)c21	1574980982	XAYSUZSIXJIAAU-DHZHZOJOSA-N	283.335	1.701	10	20	CDCD	
CNC(=O)CCCC(=O)NCc1ccc(N(C)C)cc1C	153625852	HNEHGXSFZWGIEW-UHFFFAOYSA-N	291.395	1.594	10	20	CDCD	
CN(C)c1ccc(CNC2(CO)CCOCC2)cc1	227213867	NURVESUWKPCVSM-UHFFFAOYSA-N	264.369	1.384	10	20	CDCD	
Cc1nn(C)cc1CNC(=O)c1cccc(O)c1O	126524311	WEEDVLGEALCQNE-UHFFFAOYSA-N	261.281	1.070	10	20	CDCD	
C[C@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)[C@@H](C)N	156540751	FEOQWTPXZOAUPW-NWDGAFQWSA-N	263.385	1.694	10	20	CDCD	
CCNC(=O)[C@H](C)N[C@@H](C)c1cc(OC)ccc1O	36795000	KFYBGPJZROMKDV-UWVGGRQHSA-N	266.341	1.576	10	20	CDCD	
Cc1ccc(O)c(CN2CCC[C@@H](CS(C)(=O)=O)C2)c1	293980219	RGDKJTDCMFIMTB-CYBMUJFWSA-N	297.420	1.957	10	20	CDCD	
CC(C)(C)C[C@H](CO)NC(=O)c1cccc(O)c1O	185877664	SENOVQPQHXGVQP-SECBINFHSA-N	267.325	1.625	10	20	CDCD	
COC(=O)N(C)CCN[C@H](C)c1ccccc1O	689527655	XORMSSCBWDULOR-SNVBAGLBSA-N	252.314	1.741	10	20	CDCD	
COC(=O)N1CCN(Cc2ccccc2O)CC1	387275453	FELDTLAFUOUYNP-UHFFFAOYSA-N	250.298	1.276	10	20	CDCD	
CC(C)[C@H](C(=O)N(C)Cc1ccccc1O)[C@H](C)N	399618730	YJJUDVJCUSYODX-FZMZJTMJSA-N	264.369	1.970	10	20	CDCD	
Cc1ccc(C(=O)N2CCN(CC(C)C)CC2)c(O)c1O	179395772	KPBGIPPWKNZKKU-UHFFFAOYSA-N	292.379	1.820	10	20	CDCD	
COC(=O)[C@@H]1C[C@@H]1C(=O)N(C)Cc1ccc(N(C)C)cc1	171357138	OMJITMLYDSOHSN-UONOGXRCSA-N	290.363	1.520	10	20	CDCD	
Nc1ccc(NC(=O)CN2C(=O)c3ccccc3C2=O)cc1	20327133	HBWSUWRVZQVMKA-UHFFFAOYSA-N	295.298	1.504	10	20	CDCD	
CCONC(=O)NC1CCN(c2ccc(OC)cc2)CC1	171060222	FKHVQSDYRVBHHV-UHFFFAOYSA-N	293.367	1.915	10	20	CDCD	
Cc1ccc([C@@H](C)NCC2(C(N)=O)CCOCC2)c(O)c1	185002834	YNTHFRBKMPVTPF-GFCCVEGCSA-N	292.379	1.633	10	20	CDCD	
COc1cccc(CN[C@@H](C)[C@H](CO)SC)c1O	152437273	ALSVUEXSBVMSPG-CABZTGNLSA-N	271.382	1.603	10	20	CDCD	
CCOC(=O)NCCC(=O)NCc1ccc(N(C)C)cc1	31218052	FOEIDSKEEHLODQ-UHFFFAOYSA-N	293.367	1.505	10	20	CDCD	
CON(C)C(=O)NCc1ccc2c(c1)CCCN2C	185357182	ZPCINXZQVCYTSW-UHFFFAOYSA-N	263.341	1.772	10	20	CDCD	
CSC[C@](C)(O)CNCc1ccc2c(c1)CCO2	217857818	BTDNNMWGMDSIFK-CQSZACIVSA-N	267.394	1.825	10	20	CDCD	
CC(C)CN/C=C1/C(=O)NC(=S)N(CC(C)C)C1=O	48402998	DGQNHXAERRSFPE-POHAHGRESA-N	283.397	1.015	10	20	CDCD	
NCC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	237985238	RYNIVZSOMFBROM-JTQLQIEISA-N	299.321	1.332	10	20	CDCD	
COCCn1cc(CNCc2ccc(N(C)C)cc2)cn1	266177105	DZJVJOQHSYISDG-UHFFFAOYSA-N	288.395	1.885	10	20	CDCD	
CN1CCCc2cc(CNC(=O)CNCC3CC3)ccc21	269264617	YJSYJAVWFHHRRO-UHFFFAOYSA-N	287.407	1.685	10	20	CDCD	
COc1ccc(O)c([C@@H](C)N[C@@H](CO)c2cnn(C)c2)c1	273489343	NXJWIYMFYQTZIA-YGRLFVJLSA-N	291.351	1.519	10	20	CDCD	
CC(=O)C(=O)COc1cc(C)c([N+](=O)[O-])cc1F	289692792	QJUBRFXMSCJBTI-UHFFFAOYSA-N	255.201	1.579	10	20	CDCD	
CC(=O)C(=O)Cn1cnc2c(Cl)cc(Cl)cc2c1=O	808010481	ZRKLKCZRRDICNU-UHFFFAOYSA-N	299.113	1.861	10	20	CDCD	
Cc1noc(CCCC(=O)NCc2ccccc2O)n1	299561340	NNRQVUUGJOWWLZ-UHFFFAOYSA-N	275.308	1.723	10	20	CDCD	
CNC(=O)[C@H](C)NC(=O)c1cc(C)n(-c2ccccc2)c1C	294710208	RRCBMBZJXIXTDE-LBPRGKRZSA-N	299.374	1.958	10	20	CDCD	
CC(C)[C@@H]1NCC[C@H]1C(=O)NCCc1ccc(N)cc1	294710548	BHVGVAVHHLNHSP-CABCVRRESA-N	275.396	1.562	10	20	CDCD	
CON(C)C(=O)C1CCN(C(=O)c2cc(O)cs2)CC1	812713225	OKCVPVKVHOJFEA-UHFFFAOYSA-N	298.364	1.326	10	20	CDCD	
COc1cccc(CNC(=O)[C@@H]2CCN(C)[C@@H]2C)c1O	825702855	GGLFLZPUBSLLAJ-ZYHUDNBSSA-N	278.352	1.357	10	20	CDCD	
O=S1(=O)CCN(Cc2c(O)ccc3ccncc23)CC1	728711315	PBWRBISKENAUMZ-UHFFFAOYSA-N	292.360	1.171	10	20	CDCD	
C[C@H](NC(=O)CN(C)C)c1ccc(N2CCOCC2)cc1	727309566	AVPIBQCHULLCSV-ZDUSSCGKSA-N	291.395	1.262	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)C1(C)CNC1	829764634	QXBPWVVUAXQJLU-UHFFFAOYSA-N	261.369	1.287	10	20	CDCD	
CCO[C@@H]1COC[C@H]1NCc1ccc(N(C)C)cc1	825196683	MFOSCGABPWERTR-HUUCEWRRSA-N	264.369	1.646	10	20	CDCD	
Cc1nn(C)cc1COC(=O)c1cc(O)cs1	837514733	PJHSSKDKCBNSSF-UHFFFAOYSA-N	252.295	1.853	10	20	CDCD	
COc1cccc(CNC(=O)[C@H](CC(C)C)C(N)=O)c1O	839633490	RLICYORYYDCODD-LLVKDONJSA-N	294.351	1.165	10	20	CDCD	
COC1(OC)CC(NC(=O)/C=C/c2ccc(O)c(O)c2)C1	911027975	IHMJRXIMZJNWEB-GQCTYLIASA-N	293.319	1.379	10	20	CDCD	
C[C@@H]1C[C@H](C(=O)NCc2ccc(O)cc2O)CCC1=O	910950238	TVAWINVITPCPKV-NXEZZACHSA-N	277.320	1.719	10	20	CDCD	
COc1cccc(O)c1CNCCN1CC[C@H](C)C1	744449914	HZHRTKKKFCNYRY-LBPRGKRZSA-N	264.369	1.832	10	20	CDCD	
COC/C(C)=C\C(=O)NCc1ccc(OC)cc1O	846061773	SZBACLZSRNYPKU-POHAHGRESA-N	265.309	1.610	10	20	CDCD	
CCN(C)c1ccc(CN2C[C@H](O)C[C@@H]2COC)cc1	844404981	XKGWEHKKBWNBFX-HZPDHXFCSA-N	278.396	1.724	10	20	CDCD	
CC[C@@H](NC(=O)c1ccc(C)c(O)c1O)[C@@H](O)C(C)C	840525293	MTWVDUMODHIPQG-NEPJUHHUSA-N	281.352	1.932	10	20	CDCD	
COc1ccc2c(c1)CCCN2CCOCCN	843358053	YMZFRYCVKPUTGG-UHFFFAOYSA-N	250.342	1.423	10	20	CDCD	
COCC[C@H](C)NC(=O)NCCc1ccc(N)cc1	841773439	BQTPAOSRSRNCRO-NSHDSACASA-N	265.357	1.536	10	20	CDCD	
Nc1ccc(NC(=O)C(=O)N[C@@H](C2CCC2)C2CC2)cc1	841141550	LKALWSJJYIFZKL-AWEZNQCLSA-N	287.363	1.902	10	20	CDCD	
COC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	920886750	QFZHNIMAGPBSHS-NSHDSACASA-N	264.325	1.940	10	20	CDCD	
CCOC(=O)c1cnc(S[C@H](C)C(=O)OC)s1	853133150	HPEKRIHERMJSKU-ZCFIWIBFSA-N	275.351	1.973	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NCC2=CCCOC2)c1	858458873	KRGNFAOYKXSSDY-UHFFFAOYSA-N	276.336	1.847	10	20	CDCD	
CCN(c1ccc(OC)cc1)[C@@H]1CCN(CC(=O)O)C1=O	852725457	GOEAPRRJYMWNOP-CYBMUJFWSA-N	292.335	1.207	10	20	CDCD	
C[C@H](NS(=O)(=O)C1COC1)c1ccc(N(C)C)cc1	755133344	QFPXMGDBRMSTJU-JTQLQIEISA-N	284.381	1.132	10	20	CDCD	
Cc1cc(CCC(=O)NCCc2ccc(O)c(O)c2)no1	934938827	KTXWIRAZWOBJLK-UHFFFAOYSA-N	290.319	1.686	10	20	CDCD	
CC[C@@]1(C(=O)N(C)Cc2ccccc2O)CCNC1=O	866597483	TYKBVOJXZDFUES-OAHLLOKOSA-N	276.336	1.267	10	20	CDCD	
CCOCCN1CCN(Cc2ccc(C)cc2O)CC1	876563579	BBDLASZVLGWXFP-UHFFFAOYSA-N	278.396	1.855	10	20	CDCD	
CCOc1cccc(CN2CCC(CO)(CO)CC2)c1O	877797406	GNEAYVMMAGTDMJ-UHFFFAOYSA-N	295.379	1.358	10	20	CDCD	
C[C@H](NC(=O)N(C)CCO)c1ccc(N(C)C)cc1	776238156	LDSABALWROOJJZ-NSHDSACASA-N	265.357	1.447	10	20	CDCD	
COCCn1ccc(C(=O)N(C)c2ccc(N)cc2)n1	877075275	BVJBZTWLNLIEAA-UHFFFAOYSA-N	274.324	1.388	10	20	CDCD	
CC[C@@H](CO)C(=O)N[C@@H](C)c1cc(OC)ccc1O	779812374	LBTCCLKLKCOYBV-UWVGGRQHSA-N	267.325	1.597	10	20	CDCD	
C[C@@H](NC(=O)C1=COCCO1)c1ccc(N(C)C)cc1	773000374	ORMLOHCSQONITE-LLVKDONJSA-N	276.336	1.818	10	20	CDCD	
N[C@@]1(C(=O)NCCCSc2nccs2)CC1(F)F	870886438	ITKZCRSETINSSD-SECBINFHSA-N	293.364	1.478	10	20	CDCD	
COc1ccc(CNCCNC(=O)[C@@H]2CCOC2)cc1C	1124508829	IVVXRBAPNHRYJN-CQSZACIVSA-N	292.379	1.246	10	20	CDCD	
Nc1ccc(CNC(=O)N2CCC[C@@H](CCO)CC2)cc1	1120591669	FHFQPUXPRVKGSS-CYBMUJFWSA-N	291.395	1.963	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)OCCCn1ccnc1	784286439	LJEJKFYPKJGHMX-HYXAFXHYSA-N	288.303	1.941	10	20	CDCD	
CC[C@@H](SC)C(=O)OCC(=O)c1ccc(O)c(O)c1	784316253	VBRWJKXZEBRNRL-GFCCVEGCSA-N	284.333	1.965	10	20	CDCD	
COc1cc(C)cc(CNC[C@@H](O)C2CC2)c1O	894766832	VCXOFQCLMVGFLT-GFCCVEGCSA-N	251.326	1.570	10	20	CDCD	
COc1ccc(CN[C@@H](C)C[C@H](C)O)c(O)c1OC	893505453	MRNAWQMNHPVPGN-UWVGGRQHSA-N	269.341	1.658	10	20	CDCD	
COc1cc(C)cc(CNC[C@@H](O)C(F)(F)F)c1O	894201148	WTLUXYSYOIOPDO-SNVBAGLBSA-N	279.258	1.722	10	20	CDCD	
COc1ccc(CNc2cncc3ncnn23)c(O)c1	795283591	DBBLKYGWLIEDJP-UHFFFAOYSA-N	271.280	1.451	10	20	CDCD	
COc1ccc(CNC(=O)Nc2cnc(C)nc2)c(O)c1	797623656	XFNZVKMAWCBXJV-UHFFFAOYSA-N	288.307	1.821	10	20	CDCD	
COc1ccc(CNC(=O)NCC2CC2)c(O)c1	792787710	RKCCUMWWPFQDPJ-UHFFFAOYSA-N	250.298	1.610	10	20	CDCD	
C[C@@H]1C[C@H](NC(=O)Cc2ccc(N)cc2)CCN1C	132924732	NOTFZDOSTPXZEO-BXUZGUMPSA-N	261.369	1.410	10	20	CDCD	
O=C(O)CCNCc1cccc(Br)c1O	42411888	VLMSFOIOIAKALQ-UHFFFAOYSA-N	274.114	1.719	10	20	CDCD	
CC(=O)N[C@@H](CC(C)C)C(=O)N(C)c1ccc(N)cc1	704362961	KYWLKSTYXNGGME-AWEZNQCLSA-N	277.368	1.782	10	20	CDCD	
Cc1ccc(C(=O)N=c2cc[nH]cc2C)c(O)c1O	1320066803	YGOLXVLEMNBHGG-UHFFFAOYSA-N	258.277	1.784	10	20	CDCD	
CCc1cccc(CNCc2nnc(C)n2C)c1O	709459462	ADKZHONSELDNFC-UHFFFAOYSA-N	260.341	1.681	10	20	CDCD	
CN1CC[C@]2(CCN(C(=O)NCc3ccc(N)cc3)C2)C1	1335724105	GRYDOULENYSCGI-INIZCTEOSA-N	288.395	1.506	10	20	CDCD	
CCC(N)(CC)CNC(=O)NCc1ccc(N)cc1	1336905305	DKJIEARMMRXNQU-UHFFFAOYSA-N	264.373	1.586	10	20	CDCD	
Nc1ccc(CNC(=O)c2cc3c(nc2O)CCC3)cc1	1342018351	AEBNMNHBOPPEMT-UHFFFAOYSA-N	283.331	1.788	10	20	CDCD	
NCC[C@H]1CCN(C(=O)NCCc2ccc(N)cc2)C1	1262585169	VAPZPHHWADATME-ZDUSSCGKSA-N	276.384	1.192	10	20	CDCD	
CCCC[C@@H](OC(=O)c1cccc(O)c1O)C(=O)O	1605248817	BWVWTCQOKYWSGH-SNVBAGLBSA-N	268.265	1.898	10	20	CDCD	
C[C@@H](NCC1([S@@](C)=O)CC1)c1cc(C(=O)O)ccc1O	1593247204	FGZOHADBHOLWNX-GSDQLPOLSA-N	297.376	1.652	10	20	CDCD	
CCOc1cccc(CNCCNC(=O)C(C)C)c1O	20125236	APUCYVMUQBQJPZ-UHFFFAOYSA-N	280.368	1.653	10	20	CDCD	
CN(Cc1ccc(N2CCCC2)cc1)C(=O)C(=O)O	1777071268	XGJPNVFHWQGOIN-UHFFFAOYSA-N	262.309	1.330	10	20	CDCD	
C[C@@H]1C[C@H]1[C@H](NCc1ccc2c(c1)CCO2)C(=O)O	1776603680	YXXUPZPQSVEVJC-IUPBHXKESA-N	261.321	1.820	10	20	CDCD	
CCOCC(=O)N[C@@H](C)c1cc(OC)ccc1O	157872894	HQDPIJQYIDMVQB-VIFPVBQESA-N	253.298	1.615	10	20	CDCD	
Nc1ccc(CN2CCO[C@@H]([C@H]3CCCO3)C2)cc1	1120371071	OOUNCYJAQLNKGS-HUUCEWRRSA-N	262.353	1.649	10	20	CDCD	
O=C1NCCC[C@H]1CNCc1cccc(Cl)c1O	839196098	QTMYBWYIRDBQCP-JTQLQIEISA-N	268.744	1.661	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1nc[nH]n1	95039776	OBFSLUMIDPVXLS-UHFFFAOYSA-N	259.313	1.143	10	20	CDCD	
CC[C@H](N[C@H]1COC[C@@H]1OC)c1ccccc1O	290258586	UXTUDYDDUFUUPT-OBJOEFQTSA-N	251.326	1.847	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CCCNC1	178863199	DMIIUEMZIIITKI-GFCCVEGCSA-N	289.379	1.478	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCN(c2ccccn2)CC1	184771011	WIXDXJHKGLZUNP-UHFFFAOYSA-N	299.330	1.455	10	20	CDCD	
CCOC(=O)CN(CC(C)C)C(=O)Cc1ccc(N)cc1	37812290	JVMUREOVFYEGMH-UHFFFAOYSA-N	292.379	1.859	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)CNC[C@H]1CCCO1	237167841	ICVHSCPWBVQEPN-CYBMUJFWSA-N	278.352	1.119	10	20	CDCD	
CCCCCN(CC(N)=O)C(=O)c1ccc(C)c(O)c1O	183090412	GJRZCUZDXXZDDP-UHFFFAOYSA-N	294.351	1.524	10	20	CDCD	
CC(=O)N1CCC[C@@H](C(=O)N(C)Cc2ccccc2O)C1	193945172	ADVVXWQLSODHMB-CQSZACIVSA-N	290.363	1.609	10	20	CDCD	
COCCN(CCOC)c1ccc(OC)c(OC)c1	81156037	GWUGTWMKHSOXGQ-UHFFFAOYSA-N	269.341	1.803	10	20	CDCD	
CC(=O)N1CCN(Cc2c(O)cccc2Cl)CC1	131783067	GXJNXLWJWGBGNA-UHFFFAOYSA-N	268.744	1.710	10	20	CDCD	
CCS(=O)(=O)CCCNCc1ccccc1O	228414784	MMOWTUZFBFDLFF-UHFFFAOYSA-N	257.355	1.307	10	20	CDCD	
COC(=O)[C@@H]1C[C@H](O)CN1Cc1cc(Cl)ccc1O	93441363	UOECOFYSRYGQQA-QWRGUYRKSA-N	285.727	1.154	10	20	CDCD	
COC(=O)[C@H]1CC[C@@H](NCc2cc3c(cc2O)OCO3)C1	279474202	SOMYERDYJDSOGS-GXSJLCMTSA-N	293.319	1.552	10	20	CDCD	
CCO[C@@H]1C[C@@H](NCc2cc(OC)ccc2O)[C@H]1OC	272529798	AYRYDNFYMLKIOJ-BPLDGKMQSA-N	281.352	1.683	10	20	CDCD	
C[C@H](c1nncn1C)N1CCOc2cc(N(C)C)ccc21	287563886	BJNQDEIFXDIMKZ-LLVKDONJSA-N	287.367	1.841	10	20	CDCD	
CCOc1cccc(CN[C@@]2(C)CCOC2=O)c1O	289746580	HVHJRIHHYVEHDF-AWEZNQCLSA-N	265.309	1.586	10	20	CDCD	
CCOc1ccc(O)c(CNCCC2(O)CCOCC2)c1	285451333	JAXDMNQGZKGUDE-UHFFFAOYSA-N	295.379	1.812	10	20	CDCD	
O=C(NCc1ccccc1O)C1CCN(C2CC2)CC1	280033519	YZCUMQDQLQOWDG-UHFFFAOYSA-N	274.364	1.883	10	20	CDCD	
CC[C@H](NC[C@H](O)COC)c1ccc(F)cc1O	286036573	KIPDGGXJUWLPTO-JQWIXIFHSA-N	257.305	1.579	10	20	CDCD	
CCOc1ccc(O)c(CN2C[C@@H](O)C(C)(C)C2)c1	280562088	VABMWFLWWSLMPB-CQSZACIVSA-N	265.353	1.994	10	20	CDCD	
CCNC(=O)[C@@H](NCc1cc(F)ccc1O)C(C)C	293760361	XQVAQOAAMWWUFU-ZDUSSCGKSA-N	268.332	1.782	10	20	CDCD	
CCN(CCN1CCNC1=O)c1ccc(OC)c(OC)c1	290099994	XPIIIWIVNUIWDV-UHFFFAOYSA-N	293.367	1.555	10	20	CDCD	
CC(=O)N[C@H]1CCN(Cc2ccc(N(C)C)cc2C)C1	817415530	UNFYQHZBHHOXHR-HNNXBMFYSA-N	275.396	1.771	10	20	CDCD	
Cc1cc(O)c(CNC2(C(N)=O)CC2)cc1Cl	825500762	HPCGNHCFASNRFJ-UHFFFAOYSA-N	254.717	1.462	10	20	CDCD	
Cc1cccc(CN2CCC3(CC2)CNC(=O)N3C)c1O	822529256	BPCDZZNPYYNGLO-UHFFFAOYSA-N	289.379	1.690	10	20	CDCD	
CO[C@@H]1COCC[C@@H]1CNCc1cc(C)ccc1O	824708045	CXDLVMAYVDHTQX-IUODEOHRSA-N	265.353	1.842	10	20	CDCD	
COC[C@@H](O)CCNCc1cc(Cl)c(C)cc1O	825391642	ZVXKMTWVXHQXMB-NSHDSACASA-N	273.760	1.841	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1[C@H]2CCC(=O)[C@@H]21	905447804	GRKAPTGKCLBFQH-NUEKZKHPSA-N	286.375	1.936	10	20	CDCD	
CCO[C@@H]1C[C@](N)(C(=O)Nc2ccc(N)cc2)C1(C)C	832244805	XEUDTKZUASTPSH-DOMZBBRYSA-N	277.368	1.740	10	20	CDCD	
CCc1cccc(CNCC[C@]2(O)CCCOC2)c1O	848919376	XDROTGOFVVAEGV-MRXNPFEDSA-N	279.380	1.976	10	20	CDCD	
CCCNCCNCc1ccc([N+](=O)[O-])c(OC)c1O	841047061	UANDEPDKLVPKJN-UHFFFAOYSA-N	283.328	1.398	10	20	CDCD	
CS/C=C\C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1	843297338	HLYPPTNVPCPTOK-LJTDUEICSA-N	279.409	1.745	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@H]2C[C@@]23CCCNC3)cc1	848407061	LRUWFOBXOWXUSR-NVXWUHKLSA-N	287.407	1.759	10	20	CDCD	
CN(C)c1ccc(CNCC[C@H]2CCNC2)cc1F	841036501	PFGLSBWUFINTKU-GFCCVEGCSA-N	265.376	1.981	10	20	CDCD	
O=C(CC1OCCO1)NCc1cc(Cl)ccc1O	846473078	IJSOKKGHXHPMLD-UHFFFAOYSA-N	271.700	1.425	10	20	CDCD	
CO[C@H](C)c1noc(CN(C)c2ccc(N)cc2)n1	863558454	JJTKTYOBYRTKCS-SECBINFHSA-N	262.313	1.996	10	20	CDCD	
COCCNC(=O)N(C)CCN(C)c1ccc(OC)cc1	844282865	WQBJFISUEWHYST-UHFFFAOYSA-N	295.383	1.419	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN[C@@H](CO)CCF	846096408	HMACNOFPGZSFBU-CYBMUJFWSA-N	254.349	1.871	10	20	CDCD	
CN(C)c1ccc(CN2CC(N3CC[C@@H](O)C3)C2)cc1F	843421158	BHTLGFBFAWHAGS-CQSZACIVSA-N	293.386	1.143	10	20	CDCD	
CC[C@@H](C)[C@H](N)C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1	841845625	BESYXLHYJCOJQO-DFBGVHRSSA-N	292.427	1.242	10	20	CDCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)N1C(=O)CN(C)C1=O	842263904	ASKDGTMAQYQSMD-GFCCVEGCSA-N	289.379	1.886	10	20	CDCD	
CC(=O)NCCCN[C@H](C)c1cc(F)cc(F)c1O	756371831	NRPCFNFQLWLLDU-MRVPVSSYSA-N	272.295	1.847	10	20	CDCD	
Cc1ccc(O)c([C@H](C)NCCN2CC[C@H](O)C2)c1	858602397	YGOPQKISAWKLLZ-STQMWFEESA-N	264.369	1.418	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)N[C@@H](C)c2ncn(C)n2)c1	858376590	MUJVUDGUBZDALW-JTQLQIEISA-N	289.339	1.390	10	20	CDCD	
C[C@@H](NCCOCCO)c1cc(F)cc(F)c1O	756362657	LCFQAGXYJAUYFP-MRVPVSSYSA-N	261.268	1.330	10	20	CDCD	
CC(=O)N1CC[C@@H](NC(=O)N[C@H](C)c2ccccc2O)C1	868795617	QDSPKDWWZLJDDM-ZYHUDNBSSA-N	291.351	1.373	10	20	CDCD	
CO[C@@]1(CN(C)Cc2ccc(N(C)C)cc2)CCOC1	876511742	UNUOCFJJGCJSEC-MRXNPFEDSA-N	278.396	1.990	10	20	CDCD	
CN(C)c1noc(CNCc2c(O)cccc2Cl)n1	776264380	HVLOYOWBSFWTEQ-UHFFFAOYSA-N	282.731	1.784	10	20	CDCD	
CN(C)c1ccc(CN2CCN(c3nc[nH]n3)CC2)cc1	878825162	ZHRVHAOIZYERIJ-UHFFFAOYSA-N	286.383	1.193	10	20	CDCD	
Cc1ccc(CNC[C@@H](O)COCC2CC2)c(O)c1	877000562	RLAPERGDXWCAIP-CQSZACIVSA-N	265.353	1.578	10	20	CDCD	
Cc1ccc(CN2CC[S@@](=O)C[C@H](C)C2)c(O)c1	877477681	HJPYEXJJMHVSPH-KZULUSFZSA-N	267.394	1.901	10	20	CDCD	
COC(=O)[C@H]1C[C@H](O)CN(Cc2ccc(C)cc2O)C1	877607397	AFBYTGAUMAIYEL-STQMWFEESA-N	279.336	1.056	10	20	CDCD	
CCOC(=O)[C@@](C)(O)CN[C@@H](C)c1ccc(N(C)C)cc1	775835131	RVKLPMRJWGCSQQ-LRDDRELGSA-N	294.395	1.717	10	20	CDCD	
O=S1(=O)CCN(Cc2ccccc2O)[C@@H]2CCCC[C@H]21	779016259	DCTHKSUEAZBCGO-UKRRQHHQSA-N	295.404	1.934	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CO[C@H](C)C1	784462401	GOQYFPOSYBUVAT-CKYFFXLPSA-N	279.336	1.570	10	20	CDCD	
CC[C@@H](N)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	1122328380	HUWVXSSXLDYGFH-HUUCEWRRSA-N	292.427	1.209	10	20	CDCD	
CCOc1ccc(CN[C@@H](COC)C(=O)OC)c(O)c1	789576138	NXRIETHFDNLQEZ-LBPRGKRZSA-N	283.324	1.069	10	20	CDCD	
CCN(C(=O)NCCc1ccc(N)cc1)[C@H]1CCNC1	892038169	AVNZNUQLUBOHCS-AWEZNQCLSA-N	276.384	1.205	10	20	CDCD	
COCCONC(=O)NCc1ccc(N(C)C)cc1C	789025140	OLCXKFROKXFUDX-UHFFFAOYSA-N	281.356	1.438	10	20	CDCD	
CN(C)c1ccc(CN[C@H](CO)C2CCOCC2)cc1F	782388593	ZTPDOMNTTQQCGB-OAHLLOKOSA-N	296.386	1.769	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1CC(N2CCCC2=O)C1	897785163	XKZCHFSLFMXCIY-UHFFFAOYSA-N	287.407	1.868	10	20	CDCD	
C[C@H]1CN(Cc2cc(F)cc(F)c2O)CC[S@@](=O)C1	894565374	FRYWDOHHSWTKSQ-ZRNGKTOUSA-N	289.347	1.871	10	20	CDCD	
CC[C@@H](COC)NCc1ccc(OC)c(OC)c1O	893024201	SJUAUWVQMUKTOL-NSHDSACASA-N	269.341	1.924	10	20	CDCD	
COc1ccc(CNC(=O)[C@@H](OC)C(C)C)c(O)c1	794387296	HXNHHJCHYNJDPV-ZDUSSCGKSA-N	267.325	1.688	10	20	CDCD	
C[C@@H](CS(C)(=O)=O)NCc1ccc(N(C)C)cc1	78640503	ZTXGQHQMSIRUBI-NSHDSACASA-N	270.398	1.275	10	20	CDCD	
CCCN(CCS(C)(=O)=O)Cc1ccccc1O	103479506	ADYNHGRHBBQOFY-UHFFFAOYSA-N	271.382	1.649	10	20	CDCD	
O=C(NCc1ccccc1O)[C@H](O)c1ccccc1	706229417	BCAHGHACDUIJDP-CQSZACIVSA-N	257.289	1.742	10	20	CDCD	
CC(C)[C@H](NC(=O)NCc1ccc(N)cc1)C(C)(C)O	1338793146	MQWANAJIPIMLIS-ZDUSSCGKSA-N	279.384	1.864	10	20	CDCD	
C[C@H]1COCCN1CCNCc1cc(F)cc(F)c1O	1331287263	BWUOVIIKAODOPY-JTQLQIEISA-N	286.322	1.481	10	20	CDCD	
CC(C)OC(=O)COC(=O)/C=C/c1ccc(O)c(O)c1	1253337998	IZTWTWVMUDRREZ-GQCTYLIASA-N	280.276	1.606	10	20	CDCD	
Nc1ccc(CNC(=O)N2[C@H]3CCNC[C@H]2CC3)cc1	1335724126	HFDMOKUAKLAHAC-ZIAGYGMSSA-N	274.368	1.305	10	20	CDCD	
Nc1ccc(CC(=O)NC2(CC(=O)O)CCC2)cc1	94291817	DVJPSOUKDRPYIO-UHFFFAOYSA-N	262.309	1.325	10	20	CDCD	
O=C(O)CCCCOC(=O)/C=C/c1ccc(O)c(O)c1	1595047002	HKSYIOODYHCTDR-FNORWQNLSA-N	280.276	1.909	10	20	CDCD	
CN(C)c1ccc(CN[C@H](Cn2cccn2)C(=O)O)cc1	1777039749	HJGDBYPJGVGYFS-CQSZACIVSA-N	288.351	1.192	10	20	CDCD	
CCOc1ccc(N(C)CC(=O)NCCC(=O)OC)cc1	150733851	HIAZAFDVDBEMFU-UHFFFAOYSA-N	294.351	1.201	10	20	CDCD	
COC[C@]1(C(=O)O)CCN(Cc2ccc(C)cc2O)C1	1593966361	AZNDALGRMMFKMY-HNNXBMFYSA-N	279.336	1.624	10	20	CDCD	
CC(C)NC(=O)[C@H](C)NCc1ccc(N(C)C)cc1	157780715	AIRBVYRSFBGIEZ-LBPRGKRZSA-N	263.385	1.755	10	20	CDCD	
CCCNC(=O)CCN[C@H](C)c1cc(OC)ccc1O	45071920	GDYBTGVENRSTMY-LLVKDONJSA-N	280.368	1.968	10	20	CDCD	
COc1cc(Cl)cc(CN(C)Cc2nncn2C)c1O	290059832	FEDIWIAYALTIPF-UHFFFAOYSA-N	296.758	1.815	10	20	CDCD	
CN(C)c1ccc(CN2CCCO[C@H](CN)C2)cc1	313348688	HRVWLLHOHBBAGC-OAHLLOKOSA-N	263.385	1.302	10	20	CDCD	
O=C(O)[C@H]1C[C@H](O)CN1Cc1ccc(Cl)cc1O	1601773381	SAHQDBSOGZYZLG-VHSXEESVSA-N	271.700	1.065	10	20	CDCD	
CC(=O)C[C@@H](C)NC(=O)/C=C/c1ccc(O)c(O)c1	181246516	HLYSXTRQONHJCJ-OTQAPUNGSA-N	263.293	1.595	10	20	CDCD	
Cc1ccc(C(=O)Nc2ccc3nncn3c2)c(O)c1O	182975077	KURGLWIPLZRAFW-UHFFFAOYSA-N	284.275	1.701	10	20	CDCD	
Nc1ccc(CC(=O)N2CC[C@H]3NCC[C@@H]3C2)cc1	366459151	FLJDIMVVCCKPLU-TZMCWYRMSA-N	259.353	1.022	10	20	CDCD	
COc1cc(Cl)cc(CN2CCC[C@@H](C(N)=O)C2)c1O	184670143	MNVPICDTYNBXBC-SECBINFHSA-N	298.770	1.752	10	20	CDCD	
NC(=O)c1cccc(CNC(=O)c2cccc(O)c2O)c1	186893131	GEYCNIVFOHOONJ-UHFFFAOYSA-N	286.287	1.127	10	20	CDCD	
CCN1CCN(Cc2cc(F)ccc2O)C(C)(C)C1=O	190029816	HIBUZECILKBQBS-UHFFFAOYSA-N	280.343	1.974	10	20	CDCD	
COC(=O)[C@]1(F)CCN(Cc2cc3c(cc2O)OCO3)C1	267693776	QVMPWJRMGDPTPN-AWEZNQCLSA-N	297.282	1.208	10	20	CDCD	
CC(C)(O)CN(C(=O)/C=C/c1ccc(O)c(O)c1)C1CC1	275122524	HRMQULGEKISHBO-XBXARRHUSA-N	291.347	1.873	10	20	CDCD	
C[C@@H](NCCCC(=O)N(C)C)c1cc([N+](=O)[O-])ccc1O	273588257	OJRIPJGNCDICRV-SNVBAGLBSA-N	295.339	1.819	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NC[C@H]1CCOC1	272365182	CPNCBSVVBKWEDU-JRBALWBOSA-N	263.293	1.264	10	20	CDCD	
O=C1N[C@H]2CCN(Cc3cc(F)ccc3O)C[C@@H]2CO1	281201644	JBVFNRPQBVRZED-PWSUYJOCSA-N	280.299	1.462	10	20	CDCD	
COC(=O)[C@@H]1CC[C@@H]1C(=O)NCc1cccc(OC)c1O	286865659	YHSSHUVLVNMQAC-WDEREUQCSA-N	293.319	1.216	10	20	CDCD	
C[C@H]1CN(Cc2c(O)cccc2Cl)CC(=O)N1	294910446	DYHMTRUSJMAJFK-QMMMGPOBSA-N	254.717	1.366	10	20	CDCD	
O=C(NC[C@@H]1CCCOC1)c1c(F)ccc(O)c1O	294990021	YYWBZKUFBHOPFN-QMMMGPOBSA-N	269.272	1.393	10	20	CDCD	
COC(=O)c1cnc(SCCN2CCNC2=O)s1	294923060	CLWXTANMVNZRQO-UHFFFAOYSA-N	287.366	1.047	10	20	CDCD	
C[C@@H](NC(=O)C(=O)N(C)C1CC1)c1ccc(N(C)C)cc1	807674064	FQPSLEADRGRMBY-LLVKDONJSA-N	289.379	1.551	10	20	CDCD	
C[C@@H](NC1CNC1)c1ccc(Br)cc1O	817956266	VFLWVCGPNPSDQO-SSDOTTSWSA-N	271.158	1.777	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)C[C@@H](C)N)c1	828666155	ATAQORDWBOPCAP-BDAKNGLRSA-N	252.314	1.315	10	20	CDCD	
CO[C@@H]1COC[C@@H]1NCc1cc(Cl)c(C)cc1O	826121550	QZUDAFILLJIBMR-WCQYABFASA-N	271.744	1.857	10	20	CDCD	
CCc1oc(C(=O)O)cc1COc1cccc[n+]1[O-]	830394958	SBLVNUYWAOCCNQ-UHFFFAOYSA-N	263.249	1.753	10	20	CDCD	
CN(C)c1ccc([C@@H](N)CNC(=O)c2cscn2)cc1	832273525	ONHMFQMYXJDWSN-LBPRGKRZSA-N	290.392	1.639	10	20	CDCD	
CCN1C[C@@H](CNCc2cc(C)ccc2O)CC1=O	846095006	VXYCGDMTSXCCRQ-GFCCVEGCSA-N	262.353	1.659	10	20	CDCD	
CC[C@H]1CN(C(=O)NCCc2ccc(N)cc2)CC[C@@H]1N	841955718	LBDHSKVIEGYWGQ-ZFWWWQNUSA-N	290.411	1.580	10	20	CDCD	
COc1cccc(CN[C@@H]2CC23CCNCC3)c1O	841081203	YFEWAZNIUQGSLX-CYBMUJFWSA-N	262.353	1.633	10	20	CDCD	
C[C@H](N)CCNC(=O)NCc1ccc(N(C)C)cc1	841653167	HNCQSSJXNKWDLD-NSHDSACASA-N	264.373	1.289	10	20	CDCD	
CCON(C)C(=O)NCc1ccc(N(C)C)c(F)c1	753446770	OTMCBDIWGVRDNX-UHFFFAOYSA-N	269.320	1.985	10	20	CDCD	
C[C@H](N[C@@H](C)[C@@H]1CN(C)CCO1)c1cc(F)ccc1O	756758609	INGXQHLLDKCYRM-PGUXBMHVSA-N	282.359	1.901	10	20	CDCD	
COc1cc(O)c(CN2CC[C@H](C)[C@H](CO)C2)cc1OC	857062305	ZWGXQNQBCNUXFN-AAEUAGOBSA-N	295.379	1.860	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NCCN(C)C2CC2)c1	858281044	CHQDJRHKVWGPTI-UHFFFAOYSA-N	277.368	1.594	10	20	CDCD	
CC[C@@H]1NCC[C@@H]1C(=O)N[C@H](C)c1ccccc1O	870988715	XNGDEOATOKECQJ-WXHSDQCUSA-N	262.353	1.958	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)c2nc(C3CC3)no2)c1	866026420	ZOFSCOCZFNWOFX-UHFFFAOYSA-N	273.292	1.891	10	20	CDCD	
CCOC(=O)C[C@@H](O)COc1ccc(N2CCCC2)cc1	863459676	QVEACYFKOGYALW-CQSZACIVSA-N	293.363	1.980	10	20	CDCD	
CCn1cc(C(=O)NCc2cc(C)ccc2O)cn1	862759794	IQMAMXYRJZVFAW-UHFFFAOYSA-N	259.309	1.847	10	20	CDCD	
CO[C@@H]1COC[C@H]1NC(=O)N[C@H](C)c1ccccc1O	868736438	IMLUAFILBGSARC-IRUJWGPZSA-N	280.324	1.166	10	20	CDCD	
Cc1ccc(CNC[C@H]2CCN(S(C)(=O)=O)C2)c(O)c1	877118473	CFZSRUZWDDKPJH-GFCCVEGCSA-N	298.408	1.072	10	20	CDCD	
COc1cc(CN2CC[C@H](n3cncn3)C2)c(O)cc1C	776776653	SGJSVHBDUURPNL-ZDUSSCGKSA-N	288.351	1.748	10	20	CDCD	
COCCOC(=O)NCc1ccc(N(C)C)c(F)c1	884991966	AUFBQTJEEARAMZ-UHFFFAOYSA-N	270.304	1.764	10	20	CDCD	
C[C@H](N[C@H](C)C(=O)NCCF)c1c(O)cccc1F	886606639	CMIWQQGQTYUWJP-DTWKUNHWSA-N	272.295	1.656	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@H](CO)CC2CC2)c1O	775035189	WOEQYJCDNFRXOC-NSHDSACASA-N	296.323	1.560	10	20	CDCD	
CCOCC[C@@H](NCc1ccc2c(c1)CCCO2)C(=O)O	1120087321	GCKLESMJEBNZJK-CQSZACIVSA-N	293.363	1.981	10	20	CDCD	
COc1cc(O)c(CN[C@H](CO)C2CC2)cc1OC	776176642	ALHUOUPGDGOPCV-LLVKDONJSA-N	267.325	1.270	10	20	CDCD	
CN1CC(=O)N[C@@H]1c1cc(Br)cc(F)c1O	887325543	SXUHWDFNUPKFOE-JTQLQIEISA-N	289.104	1.354	10	20	CDCD	
C[C@@H]1CN(Cc2ccc(N(C)C)c(F)c2)C[C@H]1O	897684231	LKFJZRRRAGGMSV-QMTHXVAHSA-N	252.333	1.704	10	20	CDCD	
C[C@H](N)[C@@H]1CN(Cc2ccc(N(C)C)cc2)CCO1	132585375	SPJOQADTPRTVCZ-WFASDCNBSA-N	263.385	1.301	10	20	CDCD	
O=C(N[C@H]1CCC[C@@H]1CCO)c1cccc(O)c1O	280422237	ITFAAFQHQRBXIZ-KOLCDFICSA-N	265.309	1.379	10	20	CDCD	
Nc1ccc(CNC(=O)NCCOC[C@H]2CCCO2)cc1	1335499065	HUQHLKXTNXAEGA-CQSZACIVSA-N	293.367	1.264	10	20	CDCD	
COc1ccc(CNCCC(=O)O)cc1Cn1cccn1	1332268858	DHICBJSXUQHTEW-UHFFFAOYSA-N	289.335	1.504	10	20	CDCD	
CN(C)c1ccc(CNC[C@](C)(O)C(F)F)cc1	698657627	WRBNNDRNTBDHPN-ZDUSSCGKSA-N	258.312	1.858	10	20	CDCD	
CC(C)[C@H](O)c1nnc(N(C)Cc2ccccc2O)n1C	1339051959	OYDYKVMBUOMKLA-ZDUSSCGKSA-N	290.367	1.847	10	20	CDCD	
NC(=O)CC[C@H]1CCCN(Cc2ccc(N)cc2)C1	1262487359	RMEKOSFDFFNERJ-GFCCVEGCSA-N	261.369	1.746	10	20	CDCD	
C[C@@H](NC(=O)[C@H]1CC[C@@H](C(=O)O)O1)c1ccccc1O	1607421750	GYZLQEKJYCWWEZ-FXAINCCUSA-N	279.292	1.202	10	20	CDCD	
Nc1ccc(CCNCc2ccc(C(=O)O)[nH]2)cc1	1601215754	ICMYAVNIIGIHRH-UHFFFAOYSA-N	259.309	1.627	10	20	CDCD	
Cc1nonc1COc1ccc(N(C)C)c(C(=O)O)c1	1608030264	LBWHTRWHVRWDHT-UHFFFAOYSA-N	277.280	1.721	10	20	CDCD	
Cc1ccc(C(=O)NC2(CC(=O)O)CCCC2)c(O)c1O	1607731395	IVBXNYNHTXNTSE-UHFFFAOYSA-N	293.319	1.924	10	20	CDCD	
COc1ccc(CNC[C@@H]2CNCCO2)cc1C	258963437	SAQJLDFLZZKAOP-ZDUSSCGKSA-N	250.342	1.082	10	20	CDCD	
CO[C@@H](CS(=O)(=O)NCc1ccc(N)cc1)C(C)C	1578916996	VYKRLBMLNDWLSJ-ZDUSSCGKSA-N	286.397	1.359	10	20	CDCD	
O=C(O)[C@@]12COC[C@@H]1CN(Cc1ccc(Cl)cc1O)C2	1595192069	DEIBWBGMUHCBEN-HZMBPMFUSA-N	297.738	1.579	10	20	CDCD	
O=C(O)[C@@H]1CC[C@@H]1C(=O)N1Cc2cccc(O)c2C1	1595173675	SRNFNCUCCXGFCR-VHSXEESVSA-N	261.277	1.345	10	20	CDCD	
Cc1ccc(NC(=S)NNc2nnc(C)c(O)n2)cc1	11045726	MXXIRMYFYIUYSD-UHFFFAOYSA-N	290.352	1.508	10	20	CDCD	
COC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	5097890	UMMYZSOJDDFNMC-ZDUSSCGKSA-N	265.357	1.711	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N2CC[C@H](CO)C2)cc1	153283089	SLCWWVQYKUOLPF-ZDUSSCGKSA-N	277.368	1.276	10	20	CDCD	
CNC(=O)CCCN(C)Cc1cc(F)cc(C(C)=O)c1O	155212630	GBMZITBTGDMIKN-UHFFFAOYSA-N	296.342	1.692	10	20	CDCD	
CCc1cccc(CNCCS(=O)(=O)C2CC2)c1O	848917173	PONVPJIBEMEOCL-UHFFFAOYSA-N	283.393	1.621	10	20	CDCD	
COc1ccc(O)c(CNC[C@H]2[C@@H](C(=O)O)C2(F)F)c1	715299419	XRZJDHMCCSRAOO-ONGXEEELSA-N	287.262	1.456	10	20	CDCD	
COc1cccc(CN[C@H](C)c2ncn(C)n2)c1O	391810863	NQTNYLYSGZGZHW-SECBINFHSA-N	262.313	1.380	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2ccc[n+]([O-])c2)cc1F	58973972	HFPRPFCVCUZFAI-UHFFFAOYSA-N	289.310	1.455	10	20	CDCD	
C[S@@](=O)CCCNCc1ccc2c(c1)CCO2	116918240	HTNWMTKMNMWEDA-KRWDZBQOSA-N	253.367	1.480	10	20	CDCD	
COc1ccc(O)c(CNC[C@@H](O)c2ccco2)c1	305762960	DCQWXNVQWXQKKX-CYBMUJFWSA-N	263.293	1.817	10	20	CDCD	
CCO[C@H]1C[C@@H]1C(=O)N1CCOc2cc(N(C)C)ccc21	173196129	PADRBFVNTYTUPY-JSGCOSHPSA-N	290.363	1.903	10	20	CDCD	
CC[C@H](C)NC(=O)CCNC(=O)c1ccc(C)c(O)c1O	177675183	AWVDFMOLDKNDJV-JTQLQIEISA-N	294.351	1.441	10	20	CDCD	
CCOC1CCN(C(=O)c2cccc(O)c2O)CC1	126276978	YFCMAFWNUPDWHS-UHFFFAOYSA-N	265.309	1.739	10	20	CDCD	
CN(CCCN1CCOCC1)c1ccc2c(c1)OCO2	121294303	PENQEHPKYSVXQM-UHFFFAOYSA-N	278.352	1.574	10	20	CDCD	
Cn1cc(/C=C\C(=O)N2CCCc3ncccc32)cn1	210546740	BHYCABCSNBXKMU-SREVYHEPSA-N	268.320	1.808	10	20	CDCD	
CC(=O)N[C@@H](CC(C)C)C(=O)N(C)Cc1ccccc1O	180722271	JWEXKZWHSSJGEG-AWEZNQCLSA-N	292.379	1.901	10	20	CDCD	
C/C=C/C[C@H](CO)NCc1cc2c(cc1O)OCO2	185819794	XJVALCGRQLZDPR-KXMPLOMGSA-N	265.309	1.538	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NC[C@@H]2CC[C@@H](O)C2)cc1	189810506	BUBMPYGLQDTPOK-UKRRQHHQSA-N	291.395	1.713	10	20	CDCD	
COc1ccc(O)c(CN[C@@H](CC(C)C)C(=O)O)c1	43432999	WOMJMIARKNQDFL-LBPRGKRZSA-N	267.325	1.990	10	20	CDCD	
COCCN(CCOC)Cc1cc(F)cc(C(C)=O)c1O	48895552	ZYRJSZLSEYORJI-UHFFFAOYSA-N	299.342	1.829	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2CCn1cccn1	175031523	FFAFTGHLHYJJQX-UHFFFAOYSA-N	272.352	1.848	10	20	CDCD	
CO[C@H](C)CS(=O)(=O)Nc1ccc(O)c(Cl)c1	193339576	KVFWTEGEURRFND-SSDOTTSWSA-N	279.745	1.822	10	20	CDCD	
COCCn1ccc(NC(=O)Cc2ccc(N)cc2)n1	237137113	XVFJKPWMQBPVBG-UHFFFAOYSA-N	274.324	1.293	10	20	CDCD	
Cc1ccc(O)c(CN2CCN(C)C(=O)C2(C)C)c1	93642732	FBSWAYXNIWBBFS-UHFFFAOYSA-N	262.353	1.753	10	20	CDCD	
CNCCNC(=O)c1cc(C)n(-c2ccccn2)c1C	237107078	WPTKIZWJSBFADK-UHFFFAOYSA-N	272.352	1.438	10	20	CDCD	
CCCC[C@@H](NC(N)=O)C(=O)Nc1ccc(N)cc1	269143776	XRFRCMHEEFJCMT-LLVKDONJSA-N	264.329	1.434	10	20	CDCD	
Cc1c(CN=c2ccc3nnnn3[nH]2)n(C)c2ccccc12	359838980	QNCKMMGFDCIVNB-UHFFFAOYSA-N	293.334	1.353	10	20	CDCD	
CC1(C)C[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2)C(=O)O1	272685238	SQBIEITVRRVHOR-RWCYGVJQSA-N	291.303	1.321	10	20	CDCD	
CN(C)c1ccc(CN2CCN([C@@H]3CCOC3)CC2)cc1	375734141	VSOUUTBFYGFBJH-QGZVFWFLSA-N	289.423	1.659	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)COCc1ccccn1	806500150	TZWAYHSOBOQZBM-UHFFFAOYSA-N	286.331	1.962	10	20	CDCD	
COC(=O)COCC(=O)N[C@@H](C)c1ccc(N(C)C)cc1	807274038	GMEHFTNIEQVLOM-NSHDSACASA-N	294.351	1.119	10	20	CDCD	
COc1cc(Cl)cc(CN2CC(=O)N[C@H](C)C2)c1O	295109896	VZPHDKMMDIPPFT-MRVPVSSYSA-N	284.743	1.375	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@@H]2CCCNCC2)c1	817969588	XVNCDPZIMIPTTI-WCQYABFASA-N	292.379	1.972	10	20	CDCD	
CSC[C@@H](O)CNCc1ccc2c(c1)CCCN2C	818984509	AIMXQBNOBDVPOT-AWEZNQCLSA-N	280.437	1.883	10	20	CDCD	
CO[C@@H](C)[C@@H](C)NCc1ccc(N2CCN(C)CC2)cc1	810173351	ATWSXHJFCKVLAG-CABCVRRESA-N	291.439	1.951	10	20	CDCD	
CC1(C)CN[C@H]1C(=O)NCCCSc1nccs1	829528295	OAVVNRYRLNINHI-VIFPVBQESA-N	285.438	1.740	10	20	CDCD	
CN(C)c1ccc(CNC(=O)C2(C)CNC2)cc1F	827901558	QIEXJRHIBXCVIU-UHFFFAOYSA-N	265.332	1.117	10	20	CDCD	
Cc1ccc(/C=C2\SC(=S)N(CC(N)=O)C2=O)cc1	727177068	VVFGMSMZTWFETC-POHAHGRESA-N	292.385	1.682	10	20	CDCD	
C/C(Cl)=C\C(=O)NCCc1ccc(O)c(O)c1	901124731	ZKRUTJURFOMDBA-SOFGYWHQSA-N	255.701	1.899	10	20	CDCD	
COC1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2O)C1	839129176	XVGWADPFTJYCNE-UHFFFAOYSA-N	272.688	1.784	10	20	CDCD	
COc1ccc2c(c1)CCCN2CN1CCOC1=O	902195397	NPRQNTGMLGSMRB-UHFFFAOYSA-N	262.309	1.858	10	20	CDCD	
Cc1nc(C(=O)NCc2ccc(N(C)C)cc2C)n(C)n1	836196839	HWDCGAMCMSYGSJ-UHFFFAOYSA-N	287.367	1.428	10	20	CDCD	
CC1=NO[C@@H](C(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)C1	911668204	WDLYIYFAIOIHOF-ZIAGYGMSSA-N	290.367	1.033	10	20	CDCD	
CCNCCNC(=O)NCc1ccc(N(C)C)c(F)c1	841758374	AQSBRPFJYVWLPL-UHFFFAOYSA-N	282.363	1.300	10	20	CDCD	
COc1cc(C)cc(CN(C)CCNC(C)=O)c1O	842632592	XXFFXKGXCHTJJX-UHFFFAOYSA-N	266.341	1.277	10	20	CDCD	
COc1ccc(N(C)CCN(C)c2nnc(C)o2)cc1	845668337	AFMLDUDSNYZDFK-UHFFFAOYSA-N	276.340	1.959	10	20	CDCD	
C[C@H](OCC1CC1)C(=O)NCc1ccc(O)cc1O	910952185	RUPSDBMATGHECN-VIFPVBQESA-N	265.309	1.529	10	20	CDCD	
C[C@H](NC(=O)N(C)Cc1ccccc1O)[C@H]1CCCNC1	841929223	UYQPAEWMBSVCRK-STQMWFEESA-N	291.395	1.922	10	20	CDCD	
CSC1(CNC(=O)C(=O)Nc2ccc(N)cc2)CCC1	841120981	NDBWJVQHLLSPKD-UHFFFAOYSA-N	293.392	1.609	10	20	CDCD	
COc1cccc(O)c1CN[C@@H]1CCc2c(nnn2C)C1	848566924	MFQNJGRAPWGLFE-SNVBAGLBSA-N	288.351	1.176	10	20	CDCD	
Nc1ccc(CC(=O)Nc2cnc3c(c2)C[C@H](N)CC3)cc1	841849209	BPJJAXDNJLQJFO-CQSZACIVSA-N	296.374	1.661	10	20	CDCD	
CCN(C)c1ccc(CN(C)[C@@H]2CCS(=O)(=O)C2)cc1	741753097	MZRBDNFAWMDFTA-OAHLLOKOSA-N	296.436	1.762	10	20	CDCD	
CCN1C(=O)/C(=C\c2cc(C)n(C)n2)SC1=S	840713438	RZNUMMRMAZGRNX-RMKNXTFCSA-N	267.379	1.950	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNCC2(N(C)C)CC2)c1O	841890447	OINRHJXAIDNJJD-UHFFFAOYSA-N	295.339	1.493	10	20	CDCD	
Cc1cc(CC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)on1	845932259	ZBWGIHQVVFJLOE-VIFPVBQESA-N	290.319	1.684	10	20	CDCD	
COc1cc(N(C)C[C@H]2C[C@@H](O)C2)c([N+](=O)[O-])cc1OC	858817868	KWBWGLLIVDUOME-AOOOYVTPSA-N	296.323	1.819	10	20	CDCD	
COC(=O)[C@@H](NC(=O)c1ccc(C)c(O)c1O)C(C)(C)C	751537216	APOCZDPUSKTDMJ-GFCCVEGCSA-N	295.335	1.724	10	20	CDCD	
CC(C)C(=O)NCCNCc1cc(F)c(N(C)C)cc1F	858087099	JPFPDWOKVLAFPN-UHFFFAOYSA-N	299.365	1.893	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NC[C@]2(C)CCOC2)c1	858217128	LNTRRQMQIZJKEB-HNNXBMFYSA-N	278.352	1.926	10	20	CDCD	
CCN1CCN(Cc2cc(F)cc(C(C)=O)c2O)CC1=O	755291009	YNONLBMCMLHEPN-UHFFFAOYSA-N	294.326	1.398	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H]1CCN(C)C1	935945952	QZTQBELCCQKMHC-LLVKDONJSA-N	283.368	1.446	10	20	CDCD	
COc1cc(O)c(CN(C)C[C@H](C)N)cc1OC	863651380	HLGJZLRNAFVMJU-VIFPVBQESA-N	254.330	1.188	10	20	CDCD	
CNS(=O)(=O)CCCN[C@H](C)c1cc(C)ccc1O	866458112	YRJAGZFDJSTVNL-LLVKDONJSA-N	286.397	1.291	10	20	CDCD	
Cc1ccc(CN2CCN(C[C@H](C)O)C[C@@H]2C)c(O)c1	877487052	BONWLFDXUBDNNV-KBPBESRZSA-N	278.396	1.588	10	20	CDCD	
CCN(C)c1ccc(CN2CCS(=O)CC2)cc1	773754508	GLJSQZXJWCALQA-UHFFFAOYSA-N	266.410	1.707	10	20	CDCD	
COc1cccc(O)c1CN1CCC[C@H](CO)C1	771928179	QUAMRBMHPFPTPE-NSHDSACASA-N	251.326	1.605	10	20	CDCD	
CC[C@@]1(O)CCN(Cc2c(O)cccc2OC)C1	779218554	GTRBAELMAYVVAJ-CQSZACIVSA-N	251.326	1.748	10	20	CDCD	
COc1ccc(N(C)C[C@]2(OC)CCOC2)cc1OC	877341909	GNWKVMSZRWFRLS-OAHLLOKOSA-N	281.352	1.946	10	20	CDCD	
Cc1cccc(O)c1CNC[C@H]1CCCN1CCCO	877558556	BDPGJNRUGKVZIX-CQSZACIVSA-N	278.396	1.637	10	20	CDCD	
COC(=O)CC(C)(C)NC(=O)/C=C\c1ccc(O)c(O)c1	779518270	DIVYHIVXXWYZAW-ALCCZGGFSA-N	293.319	1.569	10	20	CDCD	
CNC(=O)[C@@H]1CCC[C@H]1NCc1ccc(C)cc1O	877120738	UPTYAZKEIBYAMV-CHWSQXEVSA-N	262.353	1.705	10	20	CDCD	
C[C@H](NC(=O)c1n[nH]c(O)n1)c1ccc(N(C)C)cc1	776269063	IHFHSYQJBFPTIH-QMMMGPOBSA-N	275.312	1.067	10	20	CDCD	
CCS(=O)(=O)CC(=O)N[C@H](C)c1ccc(N(C)C)cc1	773015492	PAYWOODPZPUDOR-LLVKDONJSA-N	298.408	1.365	10	20	CDCD	
C[C@H]1C[C@@H](CNC(=O)c2cc(O)cs2)CCO1	771416150	LHLZSIIGPRLNKF-IUCAKERBSA-N	255.339	1.999	10	20	CDCD	
C[C@H](NCC(C)(C)C(N)=O)c1c(O)cccc1F	886559718	CAGZNFXQXHRBMV-QMMMGPOBSA-N	254.305	1.693	10	20	CDCD	
CON(C)C(=O)[C@H](C)NCc1cc(F)cc(F)c1O	883192405	YTYAWQOESDWNMM-ZETCQYMHSA-N	274.267	1.168	10	20	CDCD	
Cn1ncc2c1CN(Cc1cc(F)cc(F)c1O)C2	895281273	CKRSOFOYTAHEPK-UHFFFAOYSA-N	265.263	1.920	10	20	CDCD	
Cc1cccc(CN2C[C@H](O)C[C@]2(C)CO)c1O	895328495	GPVVOMXBSPBBLH-TZMCWYRMSA-N	251.326	1.018	10	20	CDCD	
COCCCS(=O)(=O)N[C@H](C)c1ccccc1O	867835017	ZGXFXGCGUXKZPP-SNVBAGLBSA-N	273.354	1.409	10	20	CDCD	
CN1C(=O)/C(=C/c2cn(C)nn2)c2cc(Cl)ccc21	799502213	WVIYHSUAAMPEMV-IZZDOVSWSA-N	274.711	1.986	10	20	CDCD	
COc1ccc(O)c([C@H](C)NCC(=O)N2CCCC2)c1	135728535	XQKZEAJQEGCBIS-NSHDSACASA-N	278.352	1.674	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC[C@H]2C[C@@H](O)C2)c1	720939115	HIGWFMFFYNCVDC-MXWKQRLJSA-N	251.326	1.822	10	20	CDCD	
C[C@@H]1O[C@H](C)C[C@@H]1NC(=O)NCc1ccc(N)cc1	1336238541	FLLGFWCMUIMWJQ-NRUUGDAUSA-N	263.341	1.634	10	20	CDCD	
CNC1(C(=O)NCc2ccc(N(C)C)cc2C)CCC1	1340222745	OVTBPIMUBCUBAK-UHFFFAOYSA-N	275.396	1.819	10	20	CDCD	
Nc1ccc(CNC(=O)[C@H]2CCCN2c2ncccn2)cc1	1342020993	LURDFUHFEZJBBF-CQSZACIVSA-N	297.362	1.344	10	20	CDCD	
Cc1nccc(N2CCN(Cc3ccc(N)cc3)CC2)n1	1356082696	CNCMSDDNFWQBSM-UHFFFAOYSA-N	283.379	1.689	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2c(N)cnn2C)cc1F	1521465219	ZXPWDVSDSAJLHP-UHFFFAOYSA-N	291.330	1.137	10	20	CDCD	
Cc1cc(O)c(CN2CC(C(=O)O)C2)c(Cl)c1	1607699262	ISSSEJYVFXMYPE-UHFFFAOYSA-N	255.701	1.870	10	20	CDCD	
C[C@@H](NC(=O)NC[C@H](F)C(=O)O)c1ccc(N(C)C)cc1	1604287725	OOADTHAMMUZEDY-SKDRFNHKSA-N	297.330	1.536	10	20	CDCD	
O=C(O)CC1(C(=O)NCc2cccc(O)c2O)CCC1	1606071562	JDKMDDRIYMBZGT-UHFFFAOYSA-N	279.292	1.359	10	20	CDCD	
O=C(O)c1ccc(CNCc2c(O)cccc2F)[nH]1	1574973747	RMOCECYVNNSKCH-UHFFFAOYSA-N	264.256	1.847	10	20	CDCD	
O=C(O)[C@@]1(C(=O)NCc2ccc(O)cc2O)CC=CCC1	1594863989	ZJXYKLYDVJVJCA-HNNXBMFYSA-N	291.303	1.525	10	20	CDCD	
Cc1c(CNCc2cc3c(cc2O)OCO3)cnn1C	156617162	IEUJQHKGMLISIR-UHFFFAOYSA-N	275.308	1.453	10	20	CDCD	
CCN(C)C(=O)CN[C@@H](C)c1cc(OC)ccc1O	182463738	YCFMUMVDMLPNTN-JTQLQIEISA-N	266.341	1.530	10	20	CDCD	
OCCCCNCc1ccc(N2CCOCC2)cc1	193281581	JBEJIWDUSSMRNG-UHFFFAOYSA-N	264.369	1.385	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)CCNCC1CC1	717181702	MXHUVOGGAYFVST-UHFFFAOYSA-N	262.353	1.740	10	20	CDCD	
CO[C@H](C)C(=O)N1CCOc2cc(N(C)C)ccc21	173204808	IUNSINXQQYNKBD-SNVBAGLBSA-N	264.325	1.513	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N[C@@H]2CCC[C@H]2O)cc1F	172571766	FTGYBVCAFBHRLV-TZMCWYRMSA-N	295.358	1.604	10	20	CDCD	
Cc1ccc(C(=O)NC[C@@H](C)Cn2cccn2)c(O)c1O	177672794	PBVLRYBZQOLJAO-SNVBAGLBSA-N	289.335	1.669	10	20	CDCD	
C[C@@H](O)CC(C)(C)CNC(=O)NCc1ccccc1O	73939356	SZDBAPNYFHMOBM-LLVKDONJSA-N	280.368	1.989	10	20	CDCD	
COc1cc(Cl)cc(CN2CCNCC2)c1O	76535248	DIEGNSNXLMVUNY-UHFFFAOYSA-N	256.733	1.459	10	20	CDCD	
C[C@@H](OC[C@H]1CCCO1)C(=O)N(C)Cc1ccccc1O	70822461	DZYMRBYGIJHRFK-TZMCWYRMSA-N	293.363	1.935	10	20	CDCD	
CC(C)NC(=O)CCNCc1ccc(N(C)C)cc1	75771278	QXZLWYBZGHKUGO-UHFFFAOYSA-N	263.385	1.757	10	20	CDCD	
CC[C@@H](C)[C@H](N)C(=O)N(C)Cc1ccccc1O	37823758	XWUDTMQVKVYWJX-MFKMUULPSA-N	250.342	1.724	10	20	CDCD	
Nc1ccc(CC(=O)N2C[C@H]3[C@H](N)CCC[C@H]3C2)cc1	374597802	VCMVTHBFANYMER-NWANDNLSSA-N	273.380	1.397	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)[C@@H]1CCNC(=O)C1	136243105	YNNXSRVDVFTBRH-GFCCVEGCSA-N	290.363	1.657	10	20	CDCD	
O=C(O)[C@@H]1CN(Cc2cc(Cl)ccc2O)CCO1	86804759	XNGNPHZJWHRHRN-NSHDSACASA-N	271.700	1.331	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CNCCO1	43710178	IMPUMWMOCQBLIA-OAHLLOKOSA-N	291.395	1.090	10	20	CDCD	
CC(C)Oc1ccc(N(C)Cc2nnn(C)n2)cc1	193494192	JROGMOFYSAZGEX-UHFFFAOYSA-N	261.329	1.634	10	20	CDCD	
CN1CCCc2cc(CNC(=O)[C@]3(F)CCNC3)ccc21	366329764	PJOYCUOBPMJQNT-INIZCTEOSA-N	291.370	1.387	10	20	CDCD	
COc1cccc(CNC(=O)NCCC[C@H](C)CO)c1O	270516942	MEBBLOKRHQAUQD-NSHDSACASA-N	296.367	1.609	10	20	CDCD	
Cc1ccc(C(=O)N2CC[C@](CO)(C(C)C)C2)c(O)c1O	366521892	QPFDUWSGYXFBOB-INIZCTEOSA-N	293.363	1.887	10	20	CDCD	
CN(C)c1ccc(CN(C)c2nccn3cnnc23)cc1	271291766	BRDJMJKEKBBOKD-UHFFFAOYSA-N	282.351	1.827	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H]2CCO[C@@H](C)C2)c1O	278473429	HYPDIBDVUOVWGQ-GXSJLCMTSA-N	296.323	1.966	10	20	CDCD	
COCC[C@@H](CO)N[C@H](C)c1ccc(C)cc1O	281521593	HSYNYGMXYILUEQ-NEPJUHHUSA-N	253.342	1.749	10	20	CDCD	
CC(=O)C(=O)CS(=O)(=O)c1ccccc1C(F)(F)F	289756992	VCUBBFMJJRIVTK-UHFFFAOYSA-N	294.250	1.637	10	20	CDCD	
CCCOc1ccc(CN[C@@H](CO)CCOC)c(O)c1	282184393	KHIUVYXCVSBIGN-CYBMUJFWSA-N	283.368	1.668	10	20	CDCD	
C[C@@H](N[C@H](C)c1ccccc1O)C(=O)NCCF	282946620	ZAQYYVZLAZMEFX-NXEZZACHSA-N	254.305	1.517	10	20	CDCD	
CO[C@H]1COC[C@@H]1N[C@H](C)c1ccc(F)c(F)c1O	290296315	YJCFYBOYPUYVBH-GGVZMXCHSA-N	273.279	1.735	10	20	CDCD	
C[C@@H](CN)N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1	817970028	JOQBGXUHCWVDMT-RYUDHWBXSA-N	281.375	1.660	10	20	CDCD	
Cc1cc(CN2CCSC[C@@H]2CO)ccc1N(C)C	815078143	PHUVUSZYHXNWCQ-AWEZNQCLSA-N	280.437	1.971	10	20	CDCD	
C[C@H](NC1CNC1)c1ccc(N2CCOCC2)c(F)c1	817955116	QNDKJKMSEGXRNQ-NSHDSACASA-N	279.359	1.285	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](O)C1CC1	824234866	VOMHUAZQDPDKIF-OAHLLOKOSA-N	276.380	1.872	10	20	CDCD	
COc1cccc(CN2CCc3nn[nH]c3C2)c1O	827884363	AMCUNNYTPKGXOZ-UHFFFAOYSA-N	260.297	1.077	10	20	CDCD	
COc1ccc(O)c(CNC(=O)COC(C)C)c1	734016168	DIRBLIKFDAFLKL-UHFFFAOYSA-N	253.298	1.442	10	20	CDCD	
CNC(=O)[C@@H]1CCC[C@@H]1N[C@H]1CCc2cccc(O)c21	834697983	SNWLPWCCYAABQT-AGIUHOORSA-N	274.364	1.884	10	20	CDCD	
CS(=O)(=O)c1ccc(C(=O)NCc2ccccc2O)o1	733360579	MENGRIKHHJWSNI-UHFFFAOYSA-N	295.316	1.319	10	20	CDCD	
COCC(COC)N[C@@H](C)c1cc([N+](=O)[O-])ccc1O	834888323	GDZAXIBCDOAIMV-VIFPVBQESA-N	284.312	1.612	10	20	CDCD	
CCc1noc(C(=O)NCc2cccc(OC)c2O)n1	904438710	HMRZMGKFLWLYQW-UHFFFAOYSA-N	277.280	1.276	10	20	CDCD	
COc1cccc(CNC(=O)NC[C@H]2CC[C@@H](C)O2)c1O	838744979	MTSFDHKZRSVGAG-ZYHUDNBSSA-N	294.351	1.768	10	20	CDCD	
CC[C@@H](C)OC(=O)c1cc(NS(C)(=O)=O)ccc1O	738629358	KKFUHMZHOZECFR-MRVPVSSYSA-N	287.337	1.719	10	20	CDCD	
CN(C)c1ccc([C@H](N)CNC(=O)C(C)(C)C)cc1	832293092	PEEVATZFRKKCPF-CYBMUJFWSA-N	263.385	1.915	10	20	CDCD	
CCO[C@@H](C)C(=O)N(CC(=O)O)Cc1ccccc1O	911486152	MPONKOHRSYEFMS-JTQLQIEISA-N	281.308	1.230	10	20	CDCD	
COc1cccc(CNC(=O)c2ccc(C(N)=O)o2)c1O	747418576	KDCGGAZWULYMLP-UHFFFAOYSA-N	290.275	1.023	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N2CCC[C@@H]2CN)cc1F	841758715	CWPYYFBDKPBHPX-GFCCVEGCSA-N	294.374	1.524	10	20	CDCD	
C[C@H](N)CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1	841881095	NYAOSAQWXRTEOC-WDEREUQCSA-N	264.373	1.460	10	20	CDCD	
C[C@H](NCCS(C)(=O)=O)c1ccc(Cl)cc1O	841747243	OZXUYQCDZSZJJW-QMMMGPOBSA-N	277.773	1.741	10	20	CDCD	
CC(C)[C@H](N)CCN(C)C(=O)NCCc1ccc(N)cc1	841956245	ZRXNXTKURQCZIT-OAHLLOKOSA-N	292.427	1.826	10	20	CDCD	
CN(CC(=O)NCc1ccc(N(C)C)cc1)C(=O)C1CC1	915680449	NRKSORJFCUOYGB-UHFFFAOYSA-N	289.379	1.237	10	20	CDCD	
CCC[C@H]1CN(C(=O)C(=O)Nc2ccc(N)cc2)CCO1	841077536	CGCZAISDFXJIDH-ZDUSSCGKSA-N	291.351	1.235	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cnc(N)cn1	843487531	IEDRIRGGOPFCAE-UHFFFAOYSA-N	299.378	1.787	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)C1(C(=O)O)CC1	844253883	JQIXPACMHRTRKB-UHFFFAOYSA-N	276.336	1.542	10	20	CDCD	
COC(=O)c1cnc(SC[C@@H](O)Cn2cccn2)s1	840765191	BHKYCBYXKVGMQH-QMMMGPOBSA-N	299.377	1.279	10	20	CDCD	
C[C@H]1CN(Cc2c(O)ccc3ccncc23)CC(=O)N1	840132357	IDFAMSUUHMFTNP-JTQLQIEISA-N	271.320	1.261	10	20	CDCD	
CNCCCN1CCN(c2ccc(OC)c(F)c2)CC1	844221017	HGFFAMMFBFPNQI-UHFFFAOYSA-N	281.375	1.566	10	20	CDCD	
COc1cccc(CNC(=O)c2[nH]c(C)nc2C)c1O	857103005	ZWIGQDAQZPHBBB-UHFFFAOYSA-N	275.308	1.671	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)NC[C@H]2C[C@@H](O)C2)c1	858542758	BHFJMYBTJMSHJD-JBLDHEPKSA-N	279.336	1.600	10	20	CDCD	
CC[C@@H](NC)C(=O)N[C@@H](C)c1cc(OC)ccc1O	852802701	RQGVLZHQOSQKIM-JOYOIKCWSA-N	266.341	1.576	10	20	CDCD	
C[S@](=O)[C@@H]1CCC[C@H](NC(=O)c2cccc(O)c2O)C1	857309006	NWXYKDGWWLZCHA-AUKWLOTRSA-N	297.376	1.517	10	20	CDCD	
C[C@H](O)C[C@@H]1CCCN1Cc1cc2c(cc1O)OC[C@@H]2O	768462080	IVLLOPSHIPMIOK-WBIUFABUSA-N	293.363	1.553	10	20	CDCD	
COc1cccc(O)c1CN1C[C@@](C)(CO)[C@@](C)(CO)C1	862519302	ZUXQZCNVALYVCO-IYBDPMFKSA-N	295.379	1.214	10	20	CDCD	
CO[C@@H]1COCC[C@@H]1CNC(=O)c1cc(O)cs1	1118765303	YTQOWRKSVJGMSM-PSASIEDQSA-N	271.338	1.235	10	20	CDCD	
COCCO[C@H]1CCN(Cc2c(C)cccc2O)C1	877460520	UHOQGCRWPQXOMO-ZDUSSCGKSA-N	265.353	1.938	10	20	CDCD	
CC[C@@H](CO)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	779834351	DPKYQGDXIISWDR-ONGXEEELSA-N	267.325	1.164	10	20	CDCD	
C[C@@H](CNC(=O)NCc1ccc(N)cc1)N1CCCCC1	1120576776	NGANDKFLWIAKPZ-ZDUSSCGKSA-N	290.411	1.942	10	20	CDCD	
C[C@@H](NC(=O)C(F)F)c1ccc(N2CCOCC2)cc1	787206365	GQJWJQZJJCZMCN-SNVBAGLBSA-N	284.306	1.966	10	20	CDCD	
NC(=O)c1cc(NCCCSc2nccs2)ncn1	881981631	IKGOVBKRZOCJGL-UHFFFAOYSA-N	295.393	1.626	10	20	CDCD	
C[C@@H]1CN(Cc2cc(Cl)c(F)cc2O)C[C@H]1O	897681054	YIHRWUOVYXVULK-JMCQJSRRSA-N	259.708	1.997	10	20	CDCD	
COC[C@H]1CCN(Cc2ccc(OC)c(OC)c2O)C1	892022058	STJRJWKQMGZJPS-NSHDSACASA-N	281.352	1.878	10	20	CDCD	
CN(Cc1cc2c(cc1O)OCO2)[C@@H]1CCCC[C@H]1O	895436306	BHVQRXCZBQFQSS-VXGBXAGGSA-N	279.336	1.856	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1[nH]nnc1C	789952046	RVJHCMSXQJPVBX-UHFFFAOYSA-N	273.340	1.418	10	20	CDCD	
CNC(=O)[C@H](C)CN(C)Cc1ccc(OC)c(OC)c1O	892208373	ZILFPPQLARRAJR-SNVBAGLBSA-N	296.367	1.223	10	20	CDCD	
COc1cc(C)cc(CNCCCC(=O)NC2CC2)c1O	894179467	CTIDSNKRHVEADA-UHFFFAOYSA-N	292.379	1.858	10	20	CDCD	
CC[C@H](NC[C@]1(O)CCN(C)C1)c1ccccc1O	702636414	MLGNNQPIQRSVOU-DZGCQCFKSA-N	264.369	1.500	10	20	CDCD	
COCCO[C@@H]1CCN(Cc2cc(C)ccc2O)C1	188826632	LVWODWWNTBZEOP-CQSZACIVSA-N	265.353	1.938	10	20	CDCD	
COc1ccc(O)c(CN2C[C@@H]3CN(C)C[C@@H]3C2)c1	194535082	WWYNXOMIYDNVMH-BETUJISGSA-N	262.353	1.394	10	20	CDCD	
CC1CCN(S(=O)(=O)Nc2ccc(O)cc2F)CC1	85203897	FEJXMDMSCIYJAT-UHFFFAOYSA-N	288.344	1.920	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C[C@@H]1CCOC1	774752444	PZJWUFYHSZFULD-LBPRGKRZSA-N	262.353	1.988	10	20	CDCD	
CN1CCN(c2ccc(CN[C@H]3C[C@H](N)C3)cc2F)CC1	1345235289	OSHKGTMWIFIJCO-HDJSIYSDSA-N	292.402	1.157	10	20	CDCD	
O=C(O)[C@@H]1CCCN(C(=O)/C=C\c2ccc(O)c(O)c2)C1	1606373968	KPXCOKHQPJIEJL-VLWUPBBWSA-N	291.303	1.434	10	20	CDCD	
C[C@H](NC(=O)NC[C@H]1CCN1)c1ccc(N(C)C)cc1	1576207509	MTQHJBHXQAUZSO-WCQYABFASA-N	276.384	1.475	10	20	CDCD	
CCCOc1ccc(CNC[C@](C)(O)C(=O)O)cc1C	1573859871	FDSPPQLTCPWAQD-HNNXBMFYSA-N	281.352	1.709	10	20	CDCD	
CC[C@H](N[C@H]1CCOC1)c1cccc(-c2nn[nH]n2)c1O	1590467692	SPZNRLRTMHBKIJ-CABZTGNLSA-N	289.339	1.402	10	20	CDCD	
COC[C@@H](O)CCN[C@@H](C)c1cc(C(=O)O)ccc1O	1599179950	YSKAHRDVGYBKIU-ONGXEEELSA-N	283.324	1.138	10	20	CDCD	
CC[C@H](NCCOCCO)c1ccc(N(C)C)cc1	159139769	PFOWLBWPAIYCAB-HNNXBMFYSA-N	266.385	1.802	10	20	CDCD	
CC(C)(C(=O)O)N1CCN(Cc2ccccc2O)CC1	901764989	AIEUAROLANOUMT-UHFFFAOYSA-N	278.352	1.373	10	20	CDCD	
COc1ccc(N2CCCN(CC[C@H](C)O)CC2)cc1	827468540	UNUDGRCKONSSAL-AWEZNQCLSA-N	278.396	1.978	10	20	CDCD	
COc1cccc(O)c1CN(C)CC(C)(C)CN	843056473	LPARNMOFCGICNP-UHFFFAOYSA-N	252.358	1.818	10	20	CDCD	
CSC[C@](C)(O)CNCc1cc2c(cc1O)OCO2	217858370	WQYMNGBCINJMAY-CYBMUJFWSA-N	285.365	1.325	10	20	CDCD	
CN(C)C[C@H]1CCN(Cc2cc(F)ccc2O)C1	180148486	QBQDHYBVPMDQPK-LLVKDONJSA-N	252.333	1.915	10	20	CDCD	
O=C(/C=C/c1ccc(N2CCOCC2)cc1)NC1CC1	108764115	CHSPIQNLAOWQOU-FPYGCLRLSA-N	272.348	1.815	10	20	CDCD	
C[C@@]1(CNC(=O)c2cccc(O)c2O)CCCC[C@H]1O	185794763	XDYACQMHRYIXNN-DOMZBBRYSA-N	279.336	1.769	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCC(=O)N1	73029412	GOKFCEUGRAHIRX-CQSZACIVSA-N	289.379	1.380	10	20	CDCD	
COc1ccc(O)c(CN2CCN[C@H](C)[C@H]2C)c1	379448396	ZLMIFOCOXCFHPZ-GHMZBOCLSA-N	250.342	1.583	10	20	CDCD	
COc1cc(N2CC[C@@H](C(=O)O)C2)c([N+](=O)[O-])cc1OC	213806851	GDTJYVHXONYYPG-MRVPVSSYSA-N	296.279	1.523	10	20	CDCD	
CCN(C)C(=O)[C@H](C)NC(=O)N(C)Cc1ccccc1O	187968550	AGFQDIWEKBUHLR-NSHDSACASA-N	293.367	1.400	10	20	CDCD	
O=C(NCc1ccc2[nH]c(=O)[nH]c2c1)c1cccc(O)c1O	189921398	LBJTUNHFMAOOGR-UHFFFAOYSA-N	299.286	1.197	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@H]2CCc3cn[nH]c3C2)cc1	79318987	DNYRGHNLGSAIOE-CYBMUJFWSA-N	298.390	1.897	10	20	CDCD	
CON(C)C(=O)NCc1ccc(N2CCOCC2)c(F)c1	192371478	YRTMTVRTGBCFGV-UHFFFAOYSA-N	297.330	1.365	10	20	CDCD	
Cc1ccc(O)c(CN(C)CC(=O)NC(C)C)c1	133379562	PEEGDMAAEUPCML-UHFFFAOYSA-N	250.342	1.657	10	20	CDCD	
Nc1ccc(NC(=O)[C@@H]2CCc3cn[nH]c3C2)cc1	237996676	AQFNIKLXDVDBLF-SECBINFHSA-N	256.309	1.736	10	20	CDCD	
COc1cc(O)c(CN(C)[C@H]2CCN(C)C2=O)cc1OC	271101059	PHRVXOHVZJDDKE-NSHDSACASA-N	294.351	1.072	10	20	CDCD	
COc1ccc(O)c(CN2CC[S@](=O)C[C@@H](C)C2)c1	369350768	WOPYMOCCGZBGBR-WLRWDXFRSA-N	283.393	1.601	10	20	CDCD	
CCOC1CC(O)(CNCc2ccc(N(C)C)cc2)C1	277635315	CQRSWVHWHFSGET-UHFFFAOYSA-N	278.396	1.772	10	20	CDCD	
CC[C@H](C)[C@H](O)CNCc1ccc([N+](=O)[O-])c(OC)c1O	278950234	ZHCWEXNNVXJRIS-JOYOIKCWSA-N	298.339	1.806	10	20	CDCD	
CN(C)c1ccc(CN2CCN3C(=O)OC[C@@H]3C2)cc1	378343858	WPQQHORYSWWOCU-AWEZNQCLSA-N	275.352	1.389	10	20	CDCD	
CC[C@H](NC[C@@]1(O)CCOC1)c1ccc(F)cc1O	286154516	OZKNVDJRZDYFLN-JSGCOSHPSA-N	269.316	1.723	10	20	CDCD	
COc1cccc(CNC(=O)[C@](C)(OC)C2CC2)c1O	291729634	QQSJTQDLNBLTBN-OAHLLOKOSA-N	279.336	1.832	10	20	CDCD	
C[C@H]1CN(C(=O)c2c(F)ccc(O)c2O)C[C@@H](C)N1C	295511923	FOURYGVUQWQTRQ-DTORHVGOSA-N	282.315	1.402	10	20	CDCD	
C[C@H](CN[C@H]1CCc2cccc(O)c21)N1CCN(C)CC1	297933950	XVAWBPZJBLATDO-HIFRSBDPSA-N	289.423	1.605	10	20	CDCD	
Cc1ccc(C(=O)Nc2nc(C)n(C)n2)c(O)c1O	293766075	UUGKGQOQRJXDJR-UHFFFAOYSA-N	262.269	1.095	10	20	CDCD	
COc1cccc(CN[C@@H]2CCCN(CCCO)C2)c1O	295116718	MNGLCUSZKWJWEW-CQSZACIVSA-N	294.395	1.337	10	20	CDCD	
Cc1nc([C@H](C)NC(=O)/C=C/c2ccc(O)c(O)c2)n[nH]1	804812815	AKZGWNROAKNXAP-JQTRYQTASA-N	288.307	1.415	10	20	CDCD	
Cc1cc(O)c(CN2CC[C@H](CS(C)(=O)=O)C2)cc1C	291814161	DEENUKYJBCXQHY-ZDUSSCGKSA-N	297.420	1.876	10	20	CDCD	
CCc1nc(C)c(C(=O)NCc2ccc(O)c(O)c2)o1	293764020	RZCOUZDOJJRPMK-UHFFFAOYSA-N	276.292	1.887	10	20	CDCD	
COc1cccc(O)c1CN1CCC[C@H](CO)CC1	816666335	KVAAWDQSDPZQEW-LBPRGKRZSA-N	265.353	1.995	10	20	CDCD	
C[C@H](NC[C@@H]1CNCCCO1)c1cc(F)ccc1O	817981284	IKLSAESWJCZRQO-JQWIXIFHSA-N	268.332	1.560	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@]1(C)CCNC1	571687975	LJFOQEBFOJWKGR-INIZCTEOSA-N	289.379	1.478	10	20	CDCD	
C[C@H](C(=O)O)N(C)Cc1ccc(N(C)C)c(F)c1	819895516	MATGTEVCZJVDLT-SECBINFHSA-N	254.305	1.797	10	20	CDCD	
COc1cc(O)c(CN2C[C@H](C)[C@](C)(CO)C2)cc1OC	827700632	WAQAESVXLMTRCN-ZBEGNZNMSA-N	295.379	1.860	10	20	CDCD	
CC[C@@H](CCO)NC(=O)/C=C\c1ccc(O)c(O)c1	588408344	OUOKBGFIJTVTSS-QZPNVGJNSA-N	265.309	1.388	10	20	CDCD	
COCCN(CCC(=O)O)Cc1cccc(C)c1O	904269555	KJNPBRYQBUEOJB-UHFFFAOYSA-N	267.325	1.624	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)c2nc(C)nn2C)c1	836194540	OQYZLMWTBNAOFV-QMMMGPOBSA-N	290.323	1.329	10	20	CDCD	
COC(=O)[C@]1(C)CCCN1C(=O)c1cc(O)cs1	832524042	ZRVHTUVRSVZCFE-LBPRGKRZSA-N	269.322	1.621	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2cc(O)n(C)n2)c1	830541135	SVVPFBUNHDWYNX-MRVPVSSYSA-N	291.307	1.331	10	20	CDCD	
CC[C@H](CSC)NC(=O)C(=O)Nc1ccc(N)cc1	841079231	KEWQUTQXPWQMBK-SNVBAGLBSA-N	281.381	1.465	10	20	CDCD	
O=C(N[C@@H]1c2ccccc2C[C@@H]1O)c1cc(O)cs1	748299266	QEQKPJSKMFOBNJ-WCQYABFASA-N	275.329	1.842	10	20	CDCD	
COc1cccc(O)c1CN1CC[C@]2(CCCN2)C1	841105893	BLPTUQZGLLJDGU-OAHLLOKOSA-N	262.353	1.729	10	20	CDCD	
COc1ccc(O)c(CNC(=S)NCC2CC2)c1	849257277	JNPWCWHSRGODNW-UHFFFAOYSA-N	266.366	1.775	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N[C@H]2CCCNC2)cc1	841654590	NSHAWPKNUJIZGA-ZDUSSCGKSA-N	276.384	1.304	10	20	CDCD	
CCNC(=O)[C@@H](C)N[C@@H](C)c1cccc(OC)c1O	846137842	RJMDTIVJGKJNSU-VHSXEESVSA-N	266.341	1.576	10	20	CDCD	
Cn1nc2c(c1C(=O)NCc1ccc(N)cc1)CCC2	927767161	AONAKKJKPPOCQA-UHFFFAOYSA-N	270.336	1.421	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)NC[C@H](C)N(C)C)c1	756536419	VNIUEQFCGVZLLV-QWRGUYRKSA-N	280.368	1.780	10	20	CDCD	
C[C@@H](NC(=O)c1c(F)ccc(O)c1O)C1(CO)CC1	857311269	RDJKKZZZTSCKQZ-SSDOTTSWSA-N	269.272	1.128	10	20	CDCD	
CNC(=O)[C@@H]1CCC[C@@H]1NCc1cccc(OC)c1O	765797245	RBYQHCGCDHXZTD-NEPJUHHUSA-N	278.352	1.405	10	20	CDCD	
C[C@H]1CCNC(=O)[C@@H]1NC(=O)N[C@H](C)c1ccccc1O	868578921	LXSUXPPOFWIJCD-OPQQBVKSSA-N	291.351	1.277	10	20	CDCD	
Cc1cn2ccnc(C(=O)NCc3ccc(O)c(O)c3)c2n1	762100777	TUAKJIZCUOPIAZ-UHFFFAOYSA-N	298.302	1.379	10	20	CDCD	
COc1ccc(O)c(CNCCN(C)CC(F)F)c1	862551179	SJHRKFKEBRCNGD-UHFFFAOYSA-N	274.311	1.687	10	20	CDCD	
COc1cccc(CNC(=O)C2CSC2)c1O	866764381	TYIKERCLYXJFCS-UHFFFAOYSA-N	253.323	1.380	10	20	CDCD	
CCN(C)c1ccc(CN2CCN(C)C[C@H]2CO)cc1	879001435	XDATXXPUWCMTKY-INIZCTEOSA-N	277.412	1.251	10	20	CDCD	
COCC1(O)CCN(Cc2c(C)cccc2O)CC1	876750402	SPCLMSAAJYMQSA-UHFFFAOYSA-N	265.353	1.674	10	20	CDCD	
C[C@@H](NC(=O)[C@@H]1CCOC1)c1ccc(N(C)C)cc1	773018010	LATJQJDSIQCUHG-DGCLKSJQSA-N	262.353	1.966	10	20	CDCD	
COCCNC(=S)N[C@H](C)c1ccc(N(C)C)cc1	774259309	WCUITCFHIMCSSH-LLVKDONJSA-N	281.425	1.924	10	20	CDCD	
COC(=O)[C@@H]1[C@H]2CN(Cc3c(C)cccc3O)C[C@H]21	877547350	UYWNBNUOOPUWBL-IMRBUKKESA-N	261.321	1.551	10	20	CDCD	
CCN(C)c1ccc(CN2CCN(C)C(=O)C2)cc1	773756025	WKULSZVUXLGZCX-UHFFFAOYSA-N	261.369	1.417	10	20	CDCD	
OCC[C@@]1(NCc2cc(Cl)ccc2O)CCOC1	775029494	ORAFXIUMOPLCJC-CYBMUJFWSA-N	271.744	1.677	10	20	CDCD	
CCN(C)c1ccc(CN2CCc3nn[nH]c3C2)cc1	773888029	KPISSZIQOGXDCR-UHFFFAOYSA-N	271.368	1.819	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CCCCO)cc1F	771503471	LRLGQWRIUBMCIE-UHFFFAOYSA-N	268.332	1.671	10	20	CDCD	
CN(C)c1ccc(CN2C[C@H]3C[C@]3(CO)C2)cc1F	783735995	UWLHGVOXTSRIAR-IUODEOHRSA-N	264.344	1.706	10	20	CDCD	
COc1ccc(CNCCNC(=O)[C@@H]2CC2(F)F)cc1C	1126782127	NVAJKQZIWPKTKE-LBPRGKRZSA-N	298.333	1.865	10	20	CDCD	
O=C(COC(=O)c1cncs1)c1ccc(O)c(O)c1	782619472	MQLXANRBOJQPCO-UHFFFAOYSA-N	279.273	1.594	10	20	CDCD	
COc1cc(C)cc(CNC[C@]2(O)CCO[C@@H]2C)c1O	894595319	OHMJOLYWGLUMEX-IAQYHMDHSA-N	281.352	1.339	10	20	CDCD	
C[C@H](CCCN)NC(=O)N[C@H](C)c1ccccc1O	892141164	OBVPUIIMFDALCJ-GHMZBOCLSA-N	265.357	1.880	10	20	CDCD	
O=C(COC(=O)[C@H]1CCCCO1)c1ccc(O)c(O)c1	784287526	SYUAJWHCUKBZLI-CYBMUJFWSA-N	280.276	1.393	10	20	CDCD	
COc1cc(C)cc(CN[C@H](CO)CC2CC2)c1O	894358153	CIBKQTSFWMCVRQ-ZDUSSCGKSA-N	265.353	1.960	10	20	CDCD	
CN(C)c1ccc(CNS(=O)(=O)c2ccoc2)cc1	795777847	YWFAMGHDHKJSFA-UHFFFAOYSA-N	280.349	1.824	10	20	CDCD	
CCC(=O)NCCC1=CCN(c2cc(F)ncn2)CC1	1089794183	BRYCZASTSLCNRL-UHFFFAOYSA-N	278.331	1.669	10	20	CDCD	
c1cc(N2CCOCC2)ccc1CN[C@H]1CCOC1	88687596	BPYICTRRALLIEA-AWEZNQCLSA-N	262.353	1.402	10	20	CDCD	
C[C@@H](CN(C)C)NCc1ccc(N2CCOCC2)cc1	168633871	MFZRYDRAMZWBLD-AWEZNQCLSA-N	277.412	1.563	10	20	CDCD	
COc1cccc(CNCCOCC(F)F)c1O	190889490	WWLONQKGQBZXTO-UHFFFAOYSA-N	261.268	1.772	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1C[C@@H](C(=O)O)C1	1349954611	SHVCDLSSMRNWFW-BETUJISGSA-N	290.363	1.788	10	20	CDCD	
CN(C)C(=O)CCCC(=O)NCc1ccc(N)cc1	1343565888	BUXUSBCPEMWDDP-UHFFFAOYSA-N	263.341	1.144	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NC1(C(=O)O)CCC1	1601238830	OJFSMEKBXTXKLL-HWKANZROSA-N	277.276	1.235	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)c2csc(C(=O)O)n2)c1	1607811704	SIXAYWAWFFKMFT-UHFFFAOYSA-N	292.316	1.785	10	20	CDCD	
COC[C@](C)(CC(=O)O)NCc1cc(C)cc(OC)c1O	1599149282	BOCQWBDWSVUODJ-HNNXBMFYSA-N	297.351	1.679	10	20	CDCD	
C[C@H]1[C@@H](C(=O)O)CCN1C(=O)c1c(F)ccc(O)c1O	1594156202	KEAZOWRIEMVSLB-BQBZGAKWSA-N	283.255	1.172	10	20	CDCD	
COC(=O)[C@@]1(F)CCN(Cc2cc(C)cc(OC)c2O)C1	164440329	QDEDSVQRGWOOIM-OAHLLOKOSA-N	297.326	1.796	10	20	CDCD	
Cc1ccc(O)c([C@@H](C)NC[C@H]2CCCNC2=O)c1	840825776	LHZIEALZYOKOSQ-VXGBXAGGSA-N	262.353	1.877	10	20	CDCD	
C[C@H](NCCO[C@H]1CCOC1)c1ccccc1O	927083100	DRYVCYSETSYAMK-RYUDHWBXSA-N	251.326	1.848	10	20	CDCD	
O=C(CCCNCc1cc(F)ccc1O)NC1CC1	226584859	MPWLLEMCOPSARK-UHFFFAOYSA-N	266.316	1.680	10	20	CDCD	
CC(C)CNC(=O)CN[C@H](C)c1cc(F)ccc1O	228693417	MIUXIIGGHJMVFP-SNVBAGLBSA-N	268.332	1.954	10	20	CDCD	
COc1cccc(CN2CC[C@@H](CN(C)C)C2)c1O	125526998	CMMPQWKHVLJIBA-LBPRGKRZSA-N	264.369	1.784	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C1(N)CCC1	147887461	QPGGIDUQMDMAEO-UHFFFAOYSA-N	275.396	1.983	10	20	CDCD	
Cc1ccc(O)c([C@H](C)NCCNC(=O)C2CC2)c1	168733759	XJNFRORYRIYVIW-NSHDSACASA-N	262.353	1.877	10	20	CDCD	
OCC1(CNCc2cc3c(cc2O)OCO3)CCC1	184371538	SJOKNURGBNNYMW-UHFFFAOYSA-N	265.309	1.373	10	20	CDCD	
C[C@]1(CNCc2cc3c(cc2O)OCO3)CCOC1	397111182	CHBFBHQIYJBRQO-CQSZACIVSA-N	265.309	1.637	10	20	CDCD	
CCNS(=O)(=O)CCNCc1c(O)cccc1Cl	226648308	UJUGLNBCKWVWTJ-UHFFFAOYSA-N	292.788	1.075	10	20	CDCD	
Oc1ccccc1CN1CCC(CN2CCOCC2)CC1	179557182	XIGGFPSMDBTARX-UHFFFAOYSA-N	290.407	1.936	10	20	CDCD	
COc1ccc(O)c(CNC(=O)Nc2cc(C)nn2C)c1	172019399	FFDUTZCOBQJSLX-UHFFFAOYSA-N	290.323	1.764	10	20	CDCD	
CC[C@@H](C)[C@H](O)CNC(=O)c1ccc(C)c(O)c1O	179546316	CSYJEYKCQVOAEL-LDYMZIIASA-N	267.325	1.543	10	20	CDCD	
COc1ccc(O)c(CNc2ncc([N+](=O)[O-])cn2)c1	302161758	PROZRBFBZIQYSE-UHFFFAOYSA-N	276.252	1.711	10	20	CDCD	
CN(C)CCN(C)Cc1cc2c(cc1O)OCO2	211494851	NYUSMPXDIXZAOU-UHFFFAOYSA-N	252.314	1.114	10	20	CDCD	
Cc1ccc(C(=O)N2CC[C@](C)(O)C2)c(O)c1O	182559374	ASECIEPZIRGKQM-ZDUSSCGKSA-N	251.282	1.003	10	20	CDCD	
Cc1cccc(CN(CCS(C)(=O)=O)C2CC2)c1O	180576438	KHJFKLHJQQXSMM-UHFFFAOYSA-N	283.393	1.710	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@H]2CCC[C@@H]2CN)cc1	89459562	DQHZNMBMKUFFKJ-UKRRQHHQSA-N	275.396	1.744	10	20	CDCD	
CC(C)NC(=O)CNCc1c(O)cccc1Cl	83551543	SMIXPJRTBIXRCK-UHFFFAOYSA-N	256.733	1.660	10	20	CDCD	
C[C@@H](NC(=O)NCc1ccc(N(C)C)cc1)C(=O)N(C)C	45827426	QDANQWUUHZELOG-LLVKDONJSA-N	292.383	1.029	10	20	CDCD	
CCOc1cccc(CN2CCC[C@@H](CC(N)=O)C2)c1O	93808767	CCOCILMYCNEZHH-LBPRGKRZSA-N	292.379	1.878	10	20	CDCD	
CCOc1cccc(CN(CCOC)[C@@H](C)C(N)=O)c1O	93138104	XFZUNHMINUJZOS-NSHDSACASA-N	296.367	1.113	10	20	CDCD	
CO[C@@H](C)CCC(=O)NCCc1ccc(O)c(O)c1	184023897	CSJXCWCJUGQQHQ-JTQLQIEISA-N	267.325	1.572	10	20	CDCD	
CNC(=O)CC(=O)NCc1c(C)c2ccccc2n1C	352125167	FIJUDBWCKVCXRE-UHFFFAOYSA-N	273.336	1.239	10	20	CDCD	
CCn1cc(CNCc2cc([N+](=O)[O-])ccc2O)cn1	264789829	AINAIDDAUCPYOL-UHFFFAOYSA-N	276.296	1.807	10	20	CDCD	
CCN(C)c1ccc([C@@H](C)NC[C@H](O)COC)cc1	268895039	KKCACAYBZCHPGX-DOMZBBRYSA-N	266.385	1.801	10	20	CDCD	
CN(CCOCC1CC1)C(=O)c1c(F)ccc(O)c1O	276532214	HTJCAHLRFCJXJV-UHFFFAOYSA-N	283.299	1.736	10	20	CDCD	
CCOC(=O)[C@@H](C)CNC(=O)c1ccc(C)c(O)c1O	272791772	WZYYUORBISFROO-VIFPVBQESA-N	281.308	1.335	10	20	CDCD	
COc1ccc(O)c(CNC[C@@](C)(O)c2ccco2)c1	271856026	UUIDTXBRBSTMGG-OAHLLOKOSA-N	277.320	1.991	10	20	CDCD	
CCOC1CC(C(=O)NCc2cccc(OC)c2O)C1	287885918	YBYURPNGFCNOEC-UHFFFAOYSA-N	279.336	1.832	10	20	CDCD	
CC[C@@H]1NCC[C@H]1C(=O)NCCc1ccc(N)cc1	295322668	ZDELAMZRMYKOQI-KGLIPLIRSA-N	261.369	1.316	10	20	CDCD	
C[C@H](N[C@@H](C)C1CNC1)c1ccc(N2CCOCC2)cc1	817891867	OVFFWEVLNQDQAA-KBPBESRZSA-N	289.423	1.782	10	20	CDCD	
COCCNC(=O)c1csc(Cc2ccc(N)cc2)n1	817903364	OKSQBBFEAJBSCR-UHFFFAOYSA-N	291.376	1.692	10	20	CDCD	
C[C@H](NCC(=O)O)c1ccc(N2CCOCC2)cc1	820142443	VCBCMWREDGPBMI-NSHDSACASA-N	264.325	1.258	10	20	CDCD	
Oc1cc2c(cc1CN1C[C@@H]3[C@H]4C=C[C@@H](O4)[C@H]3C1)OCO2	824837185	FOXKYIUGVPOQFK-CDGCEXEKSA-N	287.315	1.506	10	20	CDCD	
CC1(C)OCC(NC(=O)c2c(F)ccc(O)c2O)CO1	828405952	RZORYHFSNXCULK-UHFFFAOYSA-N	285.271	1.118	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)NC[C@@H](O)C2CCC2)c1	834905082	FHAPRVBMONIRJP-MEBBXXQBSA-N	293.363	1.990	10	20	CDCD	
CN1CC[C@@H]2CN(C(=O)c3c(F)ccc(O)c3O)C[C@@H]21	834307660	DKTVZJFVGNZZRZ-SCZZXKLOSA-N	280.299	1.013	10	20	CDCD	
COc1ccc(O)c(CNC(=O)NC[C@@H](OC)C2CC2)c1	838474347	JCIMPEQMHQOHTB-CQSZACIVSA-N	294.351	1.625	10	20	CDCD	
CCOC1(C(=O)NCc2ccc(O)c(O)c2)CCOCC1	830559242	KIPRNAPLTHDXFL-UHFFFAOYSA-N	295.335	1.300	10	20	CDCD	
COc1cc2c(c(OC)c1)N(C[C@H](C)O)CCC2	839656399	JZSSNCFNVSZXBP-JTQLQIEISA-N	251.326	1.837	10	20	CDCD	
CCc1cccc(CN2C[C@H](CO)OC[C@H]2C)c1O	848890189	PUTWGJWVKSJTCI-BXUZGUMPSA-N	265.353	1.536	10	20	CDCD	
Cc1cc(N(C)C)ccc1C[C@H](C)N[C@@H](C)CC(N)=O	840892561	AXWWRZSLJPJUBM-STQMWFEESA-N	277.412	1.846	10	20	CDCD	
COc1cccc(CN[C@H]2CC[C@@H](CN)C2)c1O	841084529	KHFOMLYTPQLUJP-PWSUYJOCSA-N	250.342	1.618	10	20	CDCD	
CN(C)c1ccc([C@H](N)CNC(=O)C=C2CCC2)cc1	843296868	CJZVGZFGBZKDNQ-OAHLLOKOSA-N	273.380	1.979	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN(C)[C@@H](C)CCO)c1O	846109676	GOGDIHORVLOBIR-VIFPVBQESA-N	284.312	1.512	10	20	CDCD	
COCCn1ccc(-c2nc(Cc3ccc(N)cc3)no2)n1	843162443	XEIRTLCQVKLWTK-UHFFFAOYSA-N	299.334	1.753	10	20	CDCD	
CC(C)[C@H](CNCc1cc2c(cc1O)OCO2)C(=O)O	848640972	XFAHVUALFYWXAD-JTQLQIEISA-N	281.308	1.567	10	20	CDCD	
CC[C@@H]1CCCCN1C(=O)C(=O)Nc1ccc(N)cc1	841009681	GMTYLGLZILWNIZ-CYBMUJFWSA-N	275.352	1.998	10	20	CDCD	
C[C@@H](CN)NC(=O)NCc1ccc(N2CC=CC2)cc1	841832488	OSKZSPAWCAESPW-LBPRGKRZSA-N	274.368	1.209	10	20	CDCD	
COc1cccc(CN2CCN[C@@H](C(C)C)C2)c1O	843103531	AWXNPRJLSKJHAS-CYBMUJFWSA-N	264.369	1.831	10	20	CDCD	
C[C@H](NCc1nnnn1C1CC1)c1cc(F)cc(F)c1O	756732498	MBVSVVITFWNCRZ-ZETCQYMHSA-N	295.293	1.843	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@]1(C(=O)O)CC1(C)C	852948335	XCZOHVZJPPCMHE-HNNXBMFYSA-N	277.320	1.852	10	20	CDCD	
CCCN(Cc1ccccc1O)C[C@@H](O)[C@@H](C)O	929753347	NXBPINKQXZBPBB-BXUZGUMPSA-N	253.342	1.346	10	20	CDCD	
Cc1cc(CNC(=O)NCc2ccc(N(C)C)cc2)ncn1	756918119	KEEKLJGYZBHPEN-UHFFFAOYSA-N	299.378	1.850	10	20	CDCD	
C[C@@H](NC(=O)NCc1cnnn1C)c1ccccc1O	868615515	FYXIKLHPHPXYMK-SECBINFHSA-N	275.312	1.081	10	20	CDCD	
CN1C[C@H](N(C)Cc2cc3c(cc2O)OCO3)CCC1=O	862428296	PDJUAUSDXNGYMA-LLVKDONJSA-N	292.335	1.174	10	20	CDCD	
C[C@@H](NS(=O)(=O)N(C)CC1CC1)c1ccccc1O	867834969	XHUMXLHNCBDVOT-SNVBAGLBSA-N	284.381	1.629	10	20	CDCD	
CC(=O)CSCC(=O)NCc1cc(C)ccc1O	862755014	ASOZGWDYXNWTOF-UHFFFAOYSA-N	267.350	1.639	10	20	CDCD	
COc1cccc(O)c1CN1CCC(N(C)C(C)=O)CC1	769139534	ITMMJSVPKNNSDW-UHFFFAOYSA-N	292.379	1.844	10	20	CDCD	
COc1ccc(N2CCCN(CC(C)=O)CC2)cc1	877984088	YRNQYMGYBYACCU-UHFFFAOYSA-N	262.353	1.796	10	20	CDCD	
CNC[C@H](C)CNCc1ccc(N2CCOCC2)c(F)c1	1117953457	HNLGOGPJJJJSQX-ZDUSSCGKSA-N	295.402	1.607	10	20	CDCD	
Cc1ccc(CN(C2CC2)[C@@H]2CCS(=O)(=O)C2)c(O)c1	876586383	DGLNORYXFFTZDJ-CQSZACIVSA-N	295.404	1.852	10	20	CDCD	
CN1CCN(c2ccc(CNC(=O)c3ncc[nH]3)cc2)CC1	881853131	KEZYTDFUWVWIDQ-UHFFFAOYSA-N	299.378	1.092	10	20	CDCD	
CO[C@H]1CCCN(C(=O)NCc2ccc(N)cc2)CC1	1120677128	KPNWXTXNVIRFMS-AWEZNQCLSA-N	277.368	1.979	10	20	CDCD	
Cc1ccc(C(=O)NC[C@H](O)c2ccco2)c(O)c1O	780969425	RXGIBIWEJTVNSQ-JTQLQIEISA-N	277.276	1.463	10	20	CDCD	
C[C@@H]1C[C@@H](O)CN1C(=O)NCc1ccc(N(C)C)cc1	788082606	JDACWAIKOTUAHU-BXUZGUMPSA-N	277.368	1.417	10	20	CDCD	
Oc1c(F)cc(F)cc1CN1CCOC[C@]12CCOC2	894661089	ASNSVWFYFWZLLM-CQSZACIVSA-N	285.290	1.662	10	20	CDCD	
Cc1ccc(/C=C\C(=O)N2CCCc3c(O)ncnc32)cn1	893206323	AMSAFRQXGZQKTA-SREVYHEPSA-N	296.330	1.878	10	20	CDCD	
COc1ccc(CN(C)CC[C@@H](C)O)c(O)c1OC	892065646	OQJQMTJKXOTXJB-SNVBAGLBSA-N	269.341	1.612	10	20	CDCD	
C[C@H]1C(=O)NCCCN1Cc1cc2c(cc1O)CCCC2	788044878	QZBIQMXDASGCQE-LBPRGKRZSA-N	288.391	1.981	10	20	CDCD	
COc1cc(C)cc(CNC[C@@H]2CCOC[C@@H]2OC)c1O	894887563	FQWBFQQFBDPFJN-WFASDCNBSA-N	295.379	1.850	10	20	CDCD	
CO[C@@H]1CCC[C@H]1CNC(=O)c1cccc(O)c1O	790916526	TVFCJOXPTJIWFZ-JOYOIKCWSA-N	265.309	1.643	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2[nH]nc3c2CNCC3)cc1	82807225	DFMCNJZRISHEET-UHFFFAOYSA-N	299.378	1.051	10	20	CDCD	
COc1cccc(CN2CC[C@H](CCN)C2)c1O	723689485	GSOFIKWPTFHVBF-NSHDSACASA-N	250.342	1.572	10	20	CDCD	
CC(C)CO[C@@H]1CCN(C(=O)c2cccc(O)c2O)C1	193133409	YRIKZDYPMOLDQY-LLVKDONJSA-N	279.336	1.985	10	20	CDCD	
CN(C)c1ccc(CNc2cc(N)ncn2)cc1F	1251645385	LSZHEVPCHOIVCL-UHFFFAOYSA-N	261.304	1.876	10	20	CDCD	
Nc1ccc(CNC(=O)[C@H]2CCc3n[nH]cc3C2)cc1	1342018762	BGPHKHXJRUJARY-NSHDSACASA-N	270.336	1.413	10	20	CDCD	
CO[C@@]1(C(=O)NCc2ccc(N)cc2)CCSC1	1342023985	YWLUJKSUQXPYDV-ZDUSSCGKSA-N	266.366	1.407	10	20	CDCD	
CN(C)c1ccc(CN[C@H](C[C@H]2CCCO2)C(=O)O)cc1	1350653065	MBXSOMQXWRRHDC-HUUCEWRRSA-N	292.379	1.865	10	20	CDCD	
O=C(NCc1c(O)cccc1F)NC1CC(C(=O)O)C1	1601530574	HCGYKXIAINJZSH-UHFFFAOYSA-N	282.271	1.194	10	20	CDCD	
CN(C)c1noc(CSc2ncc(C(=O)O)s2)n1	1606070190	JTYRLTDJPLSFHG-UHFFFAOYSA-N	286.338	1.583	10	20	CDCD	
COc1ccc(/C=C/C(=O)O)cc1OCC(=O)C(C)=O	1599544276	GXVBIXMSZRJOBF-GQCTYLIASA-N	278.260	1.330	10	20	CDCD	
COC[C@H](CCN[C@H](C)c1cc(C(=O)O)ccc1O)OC	1599162601	CIBSQIHPCCOKEP-PWSUYJOCSA-N	297.351	1.793	10	20	CDCD	
Cc1cc(CC(=O)NCc2ccc(N(C)C)cc2C)n[nH]1	155138019	OCLQWZCTVXFKCY-UHFFFAOYSA-N	286.379	1.951	10	20	CDCD	
C[C@H](NCCOCCO)c1ccc(N2CCOCC2)cc1	159088863	AUYNLSNMKPDZTE-AWEZNQCLSA-N	294.395	1.183	10	20	CDCD	
COC[C@H](O)CN[C@H]1C[C@H](C)c2c(C)ccc(O)c21	250984837	RFABNIUYMMAQQK-TUAOUCFPSA-N	265.353	1.846	10	20	CDCD	
CC[C@@]1(C(=O)N(C)Cc2ccccc2O)CCCN1	128941813	IAZGHIUEOBYXFD-HNNXBMFYSA-N	262.353	1.883	10	20	CDCD	
COC(=O)[C@H](C)N(C)Cc1ccc(N(C)C)cc1	287804478	JDSKWWXFWUQZNN-NSHDSACASA-N	250.342	1.746	10	20	CDCD	
C[C@@H]1C[C@@H](NCc2cc3c(cc2O)OCO3)CO1	402350484	SDEZYRVTSMCDNH-PSASIEDQSA-N	251.282	1.388	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@@H]1CCC[C@@H]1CN	89457748	ZLTWCONMDCXMFN-DGCLKSJQSA-N	262.353	1.726	10	20	CDCD	
Oc1cc2c(cc1CNCCCOC(F)F)OCO2	398250966	ITRCOKZMUHHQGR-UHFFFAOYSA-N	275.251	1.840	10	20	CDCD	
C[C@H](NC(=O)[C@H]1C[C@H]2CC[C@H]1NC2)c1ccccc1O	870987710	AXZFKPVAZMSDDT-UZGDPCLZSA-N	274.364	1.958	10	20	CDCD	
CC(=O)N(C)CC(=O)NCCCSc1nccs1	114375394	IYZFJVIKIRWYGD-UHFFFAOYSA-N	287.410	1.220	10	20	CDCD	
COc1cc(O)c(CN(CC(N)=O)CC(C)C)cc1OC	179731935	UAUYFQDLEZBPPH-UHFFFAOYSA-N	296.367	1.353	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2cn[nH]c2C)c1	173580322	SNKUUZFEIHAOMD-UHFFFAOYSA-N	261.281	1.362	10	20	CDCD	
CO[C@@H](C)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	117974787	AEOPNGJUVHHIQP-JSGCOSHPSA-N	293.363	1.935	10	20	CDCD	
Cn1cc(/C=C/C(=O)N2CCc3ccc([N+](=O)[O-])cc32)cn1	29251451	ORBUORIVOWCAEF-GORDUTHDSA-N	298.302	1.931	10	20	CDCD	
COCCCN(C)Cc1cc2c(cc1O)OCO2	66371335	GVWZIQVCBMPYBW-UHFFFAOYSA-N	253.298	1.589	10	20	CDCD	
Cc1cc(C(=O)NCC(N)=O)c(C)n1-c1ccc(F)cc1	76642690	NNGDJLZNBQLHHL-UHFFFAOYSA-N	289.310	1.448	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cn[nH]c1	186426770	AMVBKQWVEDIHKQ-QMMMGPOBSA-N	261.281	1.182	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccncc1	183425828	RBKCYPPDKKLURO-JTQLQIEISA-N	272.304	1.854	10	20	CDCD	
CCc1nnc(CN(C)c2ccc3c(c2)OCO3)o1	121247044	MMLSYQRCTMLGLT-UHFFFAOYSA-N	261.281	1.997	10	20	CDCD	
CCCCCN(CC(N)=O)Cc1cc(OC)ccc1O	180804963	XEPATGYAZONQGV-UHFFFAOYSA-N	280.368	1.878	10	20	CDCD	
Cc1cccc(CNCC(C)(C)OCCO)c1O	381138783	CERXVOIWRVPKGA-UHFFFAOYSA-N	253.342	1.578	10	20	CDCD	
COc1cc(Cl)cc(CN[C@@H]2C(=O)NCC[C@@H]2C)c1O	195008197	RBTOWCASOPMXHD-UFBFGSQYSA-N	298.770	1.668	10	20	CDCD	
Cc1ccc(O)c(CN2CC(=O)N[C@@H]3CCCC[C@@H]32)c1	92703423	WTYCOYLYLBHMKC-KGLIPLIRSA-N	274.364	1.944	10	20	CDCD	
COCCCN(C)CCNC(=O)NCc1ccccc1O	266487291	IRLLXJZBNIKTBO-UHFFFAOYSA-N	295.383	1.160	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@H]2CCCC(=O)N2)cc1	270265936	ZBRYVWOZVAOLHX-ZDUSSCGKSA-N	275.352	1.038	10	20	CDCD	
CC1(C)C[C@H](NC(=O)c2c(F)ccc(O)c2O)C(=O)O1	276554966	KVHOBNUIWNWVQM-ZETCQYMHSA-N	283.255	1.061	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNC[C@@H](C)C[C@H](C)O)c1O	278480011	JCEMYWNDLOMLQD-UWVGGRQHSA-N	298.339	1.806	10	20	CDCD	
O=C(CCCn1cccc1)NCc1ccc(O)c(O)c1	272301822	IWBMNTAALQINDA-UHFFFAOYSA-N	274.320	1.996	10	20	CDCD	
Nc1ccc(CCNC(=O)[C@H]2CCC[C@@H](C(=O)O)C2)cc1	386843700	UGUZRIOZYDSAJS-QWHCGFSZSA-N	290.363	1.819	10	20	CDCD	
CC(C)CS(=O)(=O)CCC(=O)NCc1ccccc1O	299588895	SORAITLMECLSNS-UHFFFAOYSA-N	299.392	1.469	10	20	CDCD	
C[C@@H](NCC1(CC(N)=O)CC1)c1cc(F)ccc1O	817586732	RLAQTDXMVUUVEV-SECBINFHSA-N	266.316	1.838	10	20	CDCD	
CCOc1ccc(CN2CCC[C@H]2C(=O)O)c(O)c1	820387442	QKGIAKWLDAFOHH-LBPRGKRZSA-N	265.309	1.840	10	20	CDCD	
Cc1ccc(C(=O)NCCCCCC(=O)O)c(O)c1O	821064198	ZZAWXYXCGLPDNV-UHFFFAOYSA-N	281.308	1.781	10	20	CDCD	
Cc1cc(O)c(CN[C@]2(CCO)CCOC2)cc1Cl	825716740	XUBCHLFVKQJRKD-CQSZACIVSA-N	285.771	1.985	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)C2=COCCO2)c1	728983742	DUYHKVCAKLFMET-SECBINFHSA-N	279.292	1.466	10	20	CDCD	
COC(=O)N(C)CCNCc1cc(OC)c(OC)cc1O	827371142	PLDFFPJGNHOGKT-UHFFFAOYSA-N	298.339	1.197	10	20	CDCD	
COC(=O)[C@](C)(NC(=O)c1cc(O)cs1)C1CC1	828220341	XYWDOJQAFFMCFC-GFCCVEGCSA-N	269.322	1.525	10	20	CDCD	
CC[C@@H](O)[C@H](C)C(=O)NCc1ccc(N(C)C)c(F)c1	900434251	JDEYBKUTWRMGRT-IINYFYTJSA-N	282.359	1.915	10	20	CDCD	
CCN(CC)c1ccc(CN2CC[C@](O)(C(=O)O)C2)cc1	901901441	KXBGHBLGQQRISO-MRXNPFEDSA-N	292.379	1.554	10	20	CDCD	
CN(C)c1ccc(CN2CCN(C(=O)C3CC3)CC2)cc1	732576741	OIUWSGPYSABIDY-UHFFFAOYSA-N	287.407	1.807	10	20	CDCD	
CNC(=O)C[C@@H](C)N[C@@H](C)c1cc(F)cc(F)c1O	834899719	JSXKHLGODXKSIL-SFYZADRCSA-N	272.295	1.846	10	20	CDCD	
CCC[C@H](O)CC(=O)NCc1ccc(O)cc1O	910949123	FQTGLZDQAYKNIW-JTQLQIEISA-N	253.298	1.265	10	20	CDCD	
Nc1ccc(NC(=O)NC[C@H](CO)Cc2ccco2)cc1	841302087	LGORLALFEJPOHG-LLVKDONJSA-N	289.335	1.835	10	20	CDCD	
CCc1cccc(CN2CC[C@@H](C)S(=O)(=O)CC2)c1O	848906145	PWDGHTYPVMJQRV-GFCCVEGCSA-N	297.420	1.964	10	20	CDCD	
C[C@@H](NC(=O)[C@H]1CCCC(=O)N1C)c1ccccc1O	913763464	HDKMJGZXMVDRFE-ZYHUDNBSSA-N	276.336	1.580	10	20	CDCD	
CC(=O)c1cc(F)cc(CN[C@](C)(CN)C2CC2)c1O	843355062	BCNIFGJKIQZNBR-OAHLLOKOSA-N	280.343	1.951	10	20	CDCD	
COC(=O)[C@@H]1CN(Cc2ccc(N(C)C)cc2C)CCO1	840914237	RPLJHFPJJKOWBQ-HNNXBMFYSA-N	292.379	1.435	10	20	CDCD	
CC[C@H](NCc1nc(O)cc(CN)n1)c1ccccc1O	854233351	XYRUOQGTAYPHFM-LBPRGKRZSA-N	288.351	1.587	10	20	CDCD	
Cc1ccc([C@H](C)NCCN2CC[C@@H](O)C2)c(O)c1	858549690	ZBQVFSRYWWYXPX-QWHCGFSZSA-N	264.369	1.418	10	20	CDCD	
COC(=O)[C@H]1CSCCN1C(=O)c1cc(O)cs1	925198570	VCDLBRVQSCEZFO-MRVPVSSYSA-N	287.362	1.184	10	20	CDCD	
CN(C)c1cc(F)c(CNCC2(CO)CC2)cc1F	858148331	SYLFMEKVSDKHKC-UHFFFAOYSA-N	270.323	1.893	10	20	CDCD	
COC1CC(NCc2ccc(N3CCN(C)CC3)cc2)C1	757971856	ZZJYSXWLLLTDJI-UHFFFAOYSA-N	289.423	1.705	10	20	CDCD	
CN(C)c1cc(F)c(CN(CCO)CCCO)cc1F	862242458	GLVUQDUPLXHURA-UHFFFAOYSA-N	288.338	1.208	10	20	CDCD	
C[C@@H](NCC(F)(F)CO)c1cc(F)cc(F)c1O	768285885	IJODBXJZEIFTLX-ZCFIWIBFSA-N	267.222	1.949	10	20	CDCD	
CCOc1cccc(CN(C)C2CC(O)C2)c1O	761222201	IWDYUAUNSALFGI-UHFFFAOYSA-N	251.326	1.746	10	20	CDCD	
COc1ccc(O)c(CN[C@H](C)C[C@@H]2CCCC(=O)N2)c1	877037301	ZQEJEXICOGAAOO-YPMHNXCESA-N	292.379	1.938	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@@](C)(O)C(C)C)c1	771418861	SVBWVCWHBJJPJP-AWEZNQCLSA-N	267.325	1.424	10	20	CDCD	
CO[C@@H]1CN[C@](C)(C(=O)NCc2ccc(N(C)C)cc2)C1	876713460	QDEOJRYPYIHMDT-HOCLYGCPSA-N	291.395	1.136	10	20	CDCD	
O=[N+]([O-])c1cc(Cl)cc(CN2C[C@@H]3CNC[C@@H]3C2)c1O	770394419	HXVNUDJDSZPZGK-AOOOYVTPSA-N	297.742	1.605	10	20	CDCD	
Cc1cccc(O)c1CN[C@H]1CCc2nnnn2CC1	877597075	YSCYYFWYBKFOSQ-NSHDSACASA-N	273.340	1.182	10	20	CDCD	
Oc1cc2c(cc1CNC[C@H]1CCOC1)OCO2	42880191	GSAJQPUVODTGHB-SECBINFHSA-N	251.282	1.247	10	20	CDCD	
CNC(=O)C1(NCc2ccc(N(C)C)cc2)CCCC1	779176322	KAMULYNTYPGVAT-UHFFFAOYSA-N	275.396	1.901	10	20	CDCD	
O=C(C[C@@H]1CCCO1)OCC(=O)c1ccc(O)c(O)c1	782917182	CHELITMGQQYDCR-JTQLQIEISA-N	280.276	1.393	10	20	CDCD	
OC[C@H](C[C@H]1CCCO1)NCc1cc2c(cc1O)OCO2	886228579	BOYHBBPQZKFKEE-NWDGAFQWSA-N	295.335	1.141	10	20	CDCD	
C[C@@H](N[C@H](CO)C1CCOCC1)c1ccccc1O	783533497	RHQFQKPEQHBUAS-BXUZGUMPSA-N	265.353	1.830	10	20	CDCD	
Cn1cc(-c2n[nH]cc2C(=O)NCc2ccccc2O)cn1	780930645	LULILOVMXPWZAT-UHFFFAOYSA-N	297.318	1.446	10	20	CDCD	
COc1cc(C)cc(CN2CC[C@@H](C)[C@H]2CO)c1O	894535226	XIDUTNCLMSYFAP-DGCLKSJQSA-N	265.353	1.912	10	20	CDCD	
C[C@H]1CN(Cc2cc(Cl)cc(F)c2O)C[C@@H]1O	897680895	MVSFQLGJWYDDFC-CPCISQLKSA-N	259.708	1.997	10	20	CDCD	
O=C(c1cc(O)cs1)N1C[C@H]2CC[C@H]1[C@H](O)C2	899766346	TWXRSUOQTNVUAR-UJNFCWOMSA-N	253.323	1.439	10	20	CDCD	
CCCCN1CC(=O)N[C@H]1c1ccc(OC)c(OC)c1O	899370616	IUOXXWSLQADNDI-OAHLLOKOSA-N	294.351	1.640	10	20	CDCD	
COc1ccc(CNCC[C@H](C)CCO)c(O)c1OC	894667545	HAFUUDUVXDVNLN-NSHDSACASA-N	283.368	1.908	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)O	274170427	MRLSIWUXZSRFPI-UHFFFAOYSA-N	250.298	1.186	10	20	CDCD	
Cc1ccc(O)c(CNS(=O)(=O)N2CCCCC2)c1	1328769179	KFFZZUXQGOCYSZ-UHFFFAOYSA-N	284.381	1.521	10	20	CDCD	
CC(C)[C@@H](O)C(C)(C)CNC(=O)c1cccc(O)c1O	193147291	NMYXQZXWPOHPKM-CYBMUJFWSA-N	281.352	1.871	10	20	CDCD	
CCn1cc(CN(C)C(=O)Cc2ccc(N)cc2)cn1	693277043	NFTPYHANSNXYHL-UHFFFAOYSA-N	272.352	1.686	10	20	CDCD	
CC(C)(CNCc1ccc2c(c1)CCO2)NS(C)(=O)=O	67005873	IXSXZJSSVXZIRC-UHFFFAOYSA-N	298.408	1.039	10	20	CDCD	
COc1nn(C)cc1C(=O)N[C@H](C)c1ccccc1O	883974650	KGSLQSRHVBGHBX-SECBINFHSA-N	275.308	1.625	10	20	CDCD	
COC(=O)C(C)(C)N1CCN(Cc2ccc(N)cc2)CC1	1337838205	KHWVPGDQKHTREI-UHFFFAOYSA-N	291.395	1.338	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1C[C@@H](CO)C1	1331314932	MEUHTOZBAWMBOE-XBXGTLAGSA-N	291.395	1.631	10	20	CDCD	
CC(C)(O)C(C)(C)CNC(=O)NCc1ccc(N)cc1	1262583101	OBWOIAYEDZQISL-UHFFFAOYSA-N	279.384	1.865	10	20	CDCD	
Cc1c([C@@H](C)NC(=O)c2cc(O)cs2)cnn1C	1261647959	NGWJXKXTCRABOB-SSDOTTSWSA-N	265.338	1.987	10	20	CDCD	
Cc1ccc(O)c(CNS(=O)(=O)N2CCC(C)CC2)c1	1351395579	POGACMGTEHUQGZ-UHFFFAOYSA-N	298.408	1.767	10	20	CDCD	
Cc1cc(C)c(O)c(CN2CCO[C@H](CC(=O)O)C2)c1	1610455863	MPKCDAXDLYWFHZ-CYBMUJFWSA-N	279.336	1.685	10	20	CDCD	
C[C@H](NC1CCN(CC(=O)O)CC1)c1ccccc1O	1589123122	INGNAZIRPGKLSG-NSHDSACASA-N	278.352	1.592	10	20	CDCD	
COC[C@](C)(CC(=O)O)NCc1cccc(C)c1O	1599149351	GBRJYTAJTWCFNQ-AWEZNQCLSA-N	267.325	1.670	10	20	CDCD	
CN(C)c1ccc(CN=c2cc[nH]cc2C(=O)O)cc1	1777040365	XJJARUOYKRUPQV-UHFFFAOYSA-N	271.320	1.880	10	20	CDCD	
CN(C)c1ccc(CN2CCC(C(N)=O)CC2)cc1F	158597683	XFQONIKZZOCXOR-UHFFFAOYSA-N	279.359	1.589	10	20	CDCD	
COc1ccc(CC(=O)NCc2ccc(O)c(O)c2)cc1	158875444	SYPVFNUGDKGXDM-UHFFFAOYSA-N	287.315	1.965	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)CCn1cccn1	120231552	WDNACYKCJVECQN-UHFFFAOYSA-N	259.309	1.637	10	20	CDCD	
Oc1cccc(Cl)c1CNC[C@H]1CN2CCC[C@H]2CO1	252674327	QFTJDBXOORTOFQ-RYUDHWBXSA-N	296.798	1.998	10	20	CDCD	
Cc1ccc(O)c(CN2CCCO[C@H](CN)C2)c1	313354581	OOESCIJVSANAJZ-CYBMUJFWSA-N	250.342	1.250	10	20	CDCD	
Cc1noc(CN(C)C(=O)Cc2ccc(N)cc2)n1	706749557	ZPTLMXCTBJPAOH-UHFFFAOYSA-N	260.297	1.161	10	20	CDCD	
CCc1cccc(CN[C@@H]2CCN(S(C)(=O)=O)C2)c1O	709404006	ADRHSURPTSIUIO-CYBMUJFWSA-N	298.408	1.078	10	20	CDCD	
CCn1cc(CNCc2ccc3c(c2)CCCN3C)nn1	404438686	FGKRQBZZIYRCFI-UHFFFAOYSA-N	285.395	1.970	10	20	CDCD	
COCCOCCC(=O)NCc1ccc(N(C)C)cc1	63264388	MXCFFNHXZXBNSJ-UHFFFAOYSA-N	280.368	1.422	10	20	CDCD	
Cc1cc(C(=O)N[C@H]2CCNC2)c(C)n1-c1ccccn1	127279276	GJXZLJMZOGWLGA-ZDUSSCGKSA-N	284.363	1.581	10	20	CDCD	
CN(C)c1ccc(CN2C[C@@H]3CCCN[C@@H]3C2)cc1	219788926	JWURRENJTWFOIL-GOEBONIOSA-N	259.397	1.936	10	20	CDCD	
COCCN(CCO)Cc1cc(Cl)cc(OC)c1O	184687665	XNNJKDSKDYJWOC-UHFFFAOYSA-N	289.759	1.495	10	20	CDCD	
COc1cccc(CNC(=O)c2c(C)ccnc2O)c1O	181225244	AFXYJWKIOVXJGI-UHFFFAOYSA-N	288.303	1.740	10	20	CDCD	
O=S1(=O)CCN(Cc2cc(Cl)ccc2O)CC1	132272354	KNSACBVPZDNZMF-UHFFFAOYSA-N	275.757	1.276	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)NCCCn1cccn1	79158132	GORJXQVCDFKHSE-UHFFFAOYSA-N	288.351	1.820	10	20	CDCD	
COc1cc(O)c(CNC[C@@H](C)OC)cc1OC	191204481	JQDINXVVJFQYKR-SECBINFHSA-N	255.314	1.534	10	20	CDCD	
O=C(N[C@@H]1CCO[C@@H](C2CC2)C1)c1cccc(O)c1O	193164491	GKFLKORRCNLQEN-ZWNOBZJWSA-N	277.320	1.785	10	20	CDCD	
O=C(N[C@@H]1CCc2[nH]ncc2C1)c1cccc(O)c1O	193069212	YYBHMFMEVCGKRH-SECBINFHSA-N	273.292	1.108	10	20	CDCD	
CCOC(=O)c1cnc(Sc2nnnn2C2CC2)s1	382467768	APMXBCWYCZTWAO-UHFFFAOYSA-N	297.365	1.792	10	20	CDCD	
Cc1cc(C(=O)N2CCCNCC2)c(C)n1-c1ccccn1	237685915	RJIUYYFWWHMDCS-UHFFFAOYSA-N	298.390	1.925	10	20	CDCD	
COC[C@H](CCO)N[C@H](C)c1ccc(F)cc1O	230663267	JOIFDDOVWQDNAA-KOLCDFICSA-N	257.305	1.579	10	20	CDCD	
CO[C@H]1CCN(CC(=O)NCc2ccc(N(C)C)cc2)C1	267803622	LJJKLFPRQLNTTR-HNNXBMFYSA-N	291.395	1.090	10	20	CDCD	
CC[C@H](COC)NC(=O)NCc1ccccc1O	265804256	NYYNPIDUBQGJAL-LLVKDONJSA-N	252.314	1.616	10	20	CDCD	
COc1cccc(CN2CCn3nc(C)nc3C2)c1O	271202077	UTZNZVHOJWJBAA-UHFFFAOYSA-N	274.324	1.317	10	20	CDCD	
Cc1ccc(C(=O)N2CC([C@@H]3CCOC3)C2)c(O)c1O	366863825	JXVMONIEGVPZQU-SNVBAGLBSA-N	277.320	1.515	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2CCOC[C@H]2C)c1O	278186988	HOCZWPLZNSPFBO-SECBINFHSA-N	282.296	1.530	10	20	CDCD	
COC(=O)COc1ccc(N(C)Cc2nc(C)no2)cc1	273023940	AZBCAVUZSVIFGI-UHFFFAOYSA-N	291.307	1.566	10	20	CDCD	
CC[C@H]1NCC[C@@H]1C(=O)NCc1ccc(N(C)C)c(F)c1	289481544	BXKAPHRGPXDDAA-GXTWGEPZSA-N	293.386	1.896	10	20	CDCD	
Cc1nccn1CC(=O)NCc1ccc2c(c1)CCCN2C	297570212	DELQWVSYKLZMRY-UHFFFAOYSA-N	298.390	1.890	10	20	CDCD	
Oc1cccc2c1[C@@H](NCC1(N3CCOCC3)CC1)CC2	296575422	VNIRAVSZYZBEGC-AWEZNQCLSA-N	288.391	1.834	10	20	CDCD	
CC[C@H](O)CN[C@H](C)c1cc([N+](=O)[O-])ccc1O	293901682	ZQXHCTLUGFZVCG-SCZZXKLOSA-N	254.286	1.722	10	20	CDCD	
C[C@@](O)(CNC(=O)c1c(F)ccc(O)c1O)C(F)(F)F	295644958	YTQFXVYWGQIRMN-SNVBAGLBSA-N	297.204	1.280	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)Cn1cccn1	819761555	UTANUPXVIURHAF-UHFFFAOYSA-N	280.324	1.391	10	20	CDCD	
CCOc1ccc(CNC[C@@H]2CCOC[C@H]2OC)c(O)c1	824709555	RBCRTOASPLKSHX-XJKSGUPXSA-N	295.379	1.932	10	20	CDCD	
CC1=NO[C@H](C(=O)N2CCOc3cc(N(C)C)ccc32)C1	829238424	HXNKIXQWUFZJSH-AWEZNQCLSA-N	289.335	1.643	10	20	CDCD	
Cc1nnc(CN(C)Cc2cc(F)ccc2O)o1	827039251	LSGMHQSCQNVSSH-UHFFFAOYSA-N	251.261	1.855	10	20	CDCD	
O=C1CC[C@@H]2[C@H]1[C@H]2C(=O)NCCCSc1nccs1	906669597	GLGMVZNARGFNRP-IEBDPFPHSA-N	296.417	1.967	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)/C=C1/SCC(=O)N1C	820880207	YIDGHIXDGGTWDU-VGOFMYFVSA-N	292.360	1.397	10	20	CDCD	
COc1ccc(O)c(CNC(=O)Nc2cnc(C)nc2)c1	734062962	DVUGHMWCWPGQBO-UHFFFAOYSA-N	288.307	1.821	10	20	CDCD	
CCOCc1cc(CN[C@H]2C[C@H](N)C2)ccc1OC	906508681	UOFMXDXPJQKWLC-HDJSIYSDSA-N	264.369	1.811	10	20	CDCD	
COC(=O)CC(=O)NCc1ccc(N(C)C)cc1C	906714181	PXYYEVJJEHJHGJ-UHFFFAOYSA-N	264.325	1.240	10	20	CDCD	
COc1cc(C)ccc1C=C1C(=O)N(C)C(=O)N(C)C1=O	834398932	UQPFZRKCBJGGBH-UHFFFAOYSA-N	288.303	1.437	10	20	CDCD	
C[C@H](NC(=O)N[C@H](C)CCN)c1ccc(N(C)C)cc1	841882718	NJCBQVDGNIZCFT-NEPJUHHUSA-N	278.400	1.850	10	20	CDCD	
CC[C@H](N)CNCc1cc(Br)ccc1O	841069650	CESUVLIPKUMSLM-JTQLQIEISA-N	273.174	1.982	10	20	CDCD	
CC[C@@H](O)Cn1cc(COc2ccc(N)cc2)nn1	864653247	UBVRVMMSMXPKRY-GFCCVEGCSA-N	262.313	1.210	10	20	CDCD	
COC(=O)[C@H](CC1CC1)NCc1cc(OC)ccc1O	840959634	ZBABSPMMVTUIEI-ZDUSSCGKSA-N	279.336	1.832	10	20	CDCD	
COc1ccc(CNC(=O)NCCCNC(C)C)c(O)c1	841932808	SQTOPGVBPXWIPJ-UHFFFAOYSA-N	295.383	1.588	10	20	CDCD	
COc1cccc(CN[C@H]2CCN(C(C)(C)C)C2=O)c1O	842722204	ZXVXDOYMRCPTLN-LBPRGKRZSA-N	292.379	1.890	10	20	CDCD	
C[C@@H](NC(=O)N[C@@H](CO)CCF)c1ccc(N(C)C)cc1	845123327	BCKDSMWMJNXZQK-DGCLKSJQSA-N	297.374	1.833	10	20	CDCD	
C[C@@H]1CCCCN1C(=O)C(=O)NCCc1ccc(N)cc1	842238855	ZZKQLTHLXZYYLM-GFCCVEGCSA-N	289.379	1.329	10	20	CDCD	
CC(C)(C)[C@@H](CN)NCc1cc2c(cc1O)OCO2	841087646	PFAAMOMMQTYWQF-CYBMUJFWSA-N	266.341	1.584	10	20	CDCD	
C[C@H]1C[C@H](NC(=O)c2c(F)ccc(O)c2O)CO1	844153951	PQEBGMQEWDVPAU-BQBZGAKWSA-N	255.245	1.144	10	20	CDCD	
CC[C@H](C)CS(=O)(=O)NCCc1ccc(N)cc1	842821868	PSDQEOXGSDWRLG-NSHDSACASA-N	270.398	1.777	10	20	CDCD	
CCOc1ccc(CNC[C@@H]2CCCNC2)c(O)c1	841033219	PZHMJZVAPGCSFJ-GFCCVEGCSA-N	264.369	1.880	10	20	CDCD	
CNC[C@H](C)NCc1ccc([N+](=O)[O-])c(OC)c1O	853248314	CYFCDHOBKAZUGB-QMMMGPOBSA-N	269.301	1.007	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)N[C@H](C)c2ccn(C)n2)c1	858536351	GKWNJHBCQWVIDO-LLVKDONJSA-N	288.351	1.995	10	20	CDCD	
CNC[C@H](C)NC(=O)NCc1ccc(N(C)C)cc1	851655623	XZNVQJJWKNUZSC-NSHDSACASA-N	264.373	1.160	10	20	CDCD	
O=C(NC[C@H]1CCCC[C@@H]1O)c1cc(O)cs1	754907132	NTRCSALRYVKFML-SCZZXKLOSA-N	255.339	1.735	10	20	CDCD	
CCC[C@@H](O)CC(=O)NCc1cc(OC)ccc1O	750424959	VSUPCBFYPJYYRU-LLVKDONJSA-N	267.325	1.568	10	20	CDCD	
Oc1c(Cl)cccc1CNCCN1CC[C@@H](O)C1	862531237	DRNZDVYGHFSVHI-LLVKDONJSA-N	270.760	1.202	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc(=O)cc[nH]1	935944725	ZWOYPGFTIZYRGI-UHFFFAOYSA-N	293.319	1.496	10	20	CDCD	
O=C1NCCC[C@H]1C(=O)NCc1cc(Cl)ccc1O	869146769	LMNOQACACUGOCO-SNVBAGLBSA-N	282.727	1.188	10	20	CDCD	
CN(C)c1ccc(CN2C(=O)N(C)C(C)(C)C2=O)cc1	760947000	FUHLVTCIPOASOW-UHFFFAOYSA-N	275.352	1.925	10	20	CDCD	
COC/C=C\C(=O)N[C@@H](C)c1cc(OC)ccc1O	866764756	ORXSSHVHWYRDDW-LWTINBJPSA-N	265.309	1.781	10	20	CDCD	
CCCC[C@H](NC(=O)c1cc(O)cs1)C(=O)OC	761176638	KKFUAXZCTNFKJC-VIFPVBQESA-N	271.338	1.915	10	20	CDCD	
CCOC1CN(Cc2ccc(N3CCC(O)CC3)cc2)C1	877580529	SBKFNGAFUCNJHF-UHFFFAOYSA-N	290.407	1.868	10	20	CDCD	
Cc1ccc(C(=O)NCCOC2CCC2)c(O)c1O	780950407	ADWIKBAISOTPPE-UHFFFAOYSA-N	265.309	1.705	10	20	CDCD	
COc1cccc(CNC(=O)NC/C=C/Cl)c1O	899052087	SHHUPSHIAUWPFX-ZZXKWVIFSA-N	270.716	1.953	10	20	CDCD	
COc1ccc(CN2CCCC[C@H]2C(N)=O)c(O)c1OC	891489436	JHLWKJWWZHNYSI-NSHDSACASA-N	294.351	1.249	10	20	CDCD	
C[C@]1(CO)C[C@H](O)CN1Cc1cc(Cl)cc(F)c1O	895328904	HLFXFETWLAVVRW-GXFFZTMASA-N	289.734	1.502	10	20	CDCD	
CC[C@H](C)[C@@H](C)NC(=O)C(=O)NCCc1ccc(N)cc1	1328732396	KPENLOMVTZQPKF-NWDGAFQWSA-N	291.395	1.478	10	20	CDCD	
COc1cccc(CN2CCO[C@@H](CC(=O)O)C2)c1O	91298094	APBWYHINRZNTIH-NSHDSACASA-N	281.308	1.076	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NCCCC(=O)O)c1	1341258856	XIFDEDSEQIVPSA-UHFFFAOYSA-N	266.297	1.365	10	20	CDCD	
Cc1cc(O)c(CN(C)Cc2cn(C)nn2)cc1C	1350593561	KTDPPEVBXSOJDC-UHFFFAOYSA-N	260.341	1.770	10	20	CDCD	
CCOc1cccc(CN2CCCNC[C@H]2C(=O)O)c1O	1605704220	CRFZJMURDJOYKJ-LBPRGKRZSA-N	294.351	1.039	10	20	CDCD	
C[C@H](NCCC1(C)OCCO1)c1cc(C(=O)O)ccc1O	1609775235	CDRRLMYUNFLTMH-JTQLQIEISA-N	295.335	1.894	10	20	CDCD	
O=C(N[C@H]1C[C@@H]2C[C@]2(C(=O)O)C1)c1c(F)ccc(O)c1O	1608493426	RVUHXLAMOHCVJA-DHDZUQTRSA-N	295.266	1.220	10	20	CDCD	
C[C@H](NCc1ccc(N2CCN(C)CC2)c(F)c1)C(=O)O	1594240791	AXCJMTXMZMVRJT-NSHDSACASA-N	295.358	1.140	10	20	CDCD	
C[C@H](NCCC(=O)N(C)C)c1cc(C(=O)O)ccc1O	1593257502	OPSQJXWQBPCXRE-VIFPVBQESA-N	280.324	1.219	10	20	CDCD	
CN(Cc1ccccc1O)C[C@H](O)c1ccccn1	851840884	KUGLAAWMYLQSCG-HNNXBMFYSA-N	258.321	1.953	10	20	CDCD	
CCc1nn(C)cc1C(=O)N(C)c1ccc(N)cc1	227544241	MGPVEJFLYXOTRX-UHFFFAOYSA-N	258.325	1.841	10	20	CDCD	
COc1ccc(O)c([C@H](C)NCCNC(=O)C2CC2)c1	168734255	QLMJVGYSVJBSNR-JTQLQIEISA-N	278.352	1.578	10	20	CDCD	
C[C@@H](CNC(=O)c1cccc(O)c1O)N(C)C1CC1	188388399	GIMRKYOEJMZKKU-VIFPVBQESA-N	264.325	1.310	10	20	CDCD	
COc1ccc(O)c(CN2CCNC(C)(C)C2)c1	395999768	DBNLBTXZDYROSF-UHFFFAOYSA-N	250.342	1.585	10	20	CDCD	
COc1ccc(O)c(CNC(=O)C[C@H]2CCCO2)c1	172044051	XQZAMRDTZJXGKR-GFCCVEGCSA-N	265.309	1.586	10	20	CDCD	
Cc1ccc(C(=O)NC[C@H]2CCN(C3CC3)C2)c(O)c1O	179444350	ZEUPIUKAVOUIQQ-LLVKDONJSA-N	290.363	1.620	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1	171119429	USJZOXPAVJSMOJ-OAHLLOKOSA-N	296.436	1.762	10	20	CDCD	
COc1cccc(CN(C)CCn2cccn2)c1O	125301485	PQGJHIIILIOHJI-UHFFFAOYSA-N	261.325	1.729	10	20	CDCD	
Cc1noc(NCc2ccc(N3CCOCC3)cc2)n1	182220158	CWSBDOJMVLDJSU-UHFFFAOYSA-N	274.324	1.827	10	20	CDCD	
COc1cc(N2CCNC(C)(C)C2)c([N+](=O)[O-])cc1OC	213809937	OTKDSBGIKRLOJX-UHFFFAOYSA-N	295.339	1.800	10	20	CDCD	
C[C@@H](CN[C@H](C)c1ccc(F)cc1O)N1CCN(C)CC1	185364236	MHWWTYPFBQYYNT-QWHCGFSZSA-N	295.402	1.818	10	20	CDCD	
C[C@H](O)CN1CCN(Cc2cccc(Cl)c2O)CC1	189855090	ZHWQXEVKSCZVID-NSHDSACASA-N	284.787	1.544	10	20	CDCD	
COc1cc(Cl)cc(CN2CC[C@@H](C(=O)O)C2)c1O	229118913	DHUODLGCOGZBDG-MRVPVSSYSA-N	285.727	1.961	10	20	CDCD	
CC(C)C(=O)NCCNCc1ccc2c(c1)CCCO2	921484626	RLIHMWOJNNZCDE-UHFFFAOYSA-N	276.380	1.873	10	20	CDCD	
CCOc1cccc(CN2CC[C@H](C)[C@@H]2CO)c1O	191182340	NPJCSLCDWRIIMU-AAEUAGOBSA-N	265.353	1.994	10	20	CDCD	
COc1ccc(O)c(CN2C[C@@H](C)[C@@H](C(=O)O)C2)c1	86774728	VJVVJTUDGVQYRJ-SKDRFNHKSA-N	265.309	1.553	10	20	CDCD	
COc1ccc(N2CCC(NC(=O)CCCN)CC2)cc1	237279357	HCSSVPKFRMIZHQ-UHFFFAOYSA-N	291.395	1.519	10	20	CDCD	
CCNC(=O)CN(CC)c1ccc(OC)c(OC)c1	269602417	LNMLVBPSBMVOHI-UHFFFAOYSA-N	266.341	1.666	10	20	CDCD	
Nc1ccc(CC(=O)N2CCC([C@H]3CCNC3)CC2)cc1	295053195	PUBXXXGHZOGXDJ-HNNXBMFYSA-N	287.407	1.659	10	20	CDCD	
Cc1cccc(CNCC2(OCCO)CCOCC2)c1O	800542045	ZCGMTLRKBLUXPJ-UHFFFAOYSA-N	295.379	1.348	10	20	CDCD	
Cc1cc(C)c([C@@H](C)NCc2ncn(C)n2)c(O)c1	294827931	QUUBWYFFSOEHFP-LLVKDONJSA-N	260.341	1.988	10	20	CDCD	
Cn1nc(NC(=O)c2cccc(O)c2O)cc1C1CC1	290971797	QVYLVGHUQJTLSF-UHFFFAOYSA-N	273.292	1.961	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)CCNC(=O)NC	293469450	UDTOGQLRMMQJDE-UHFFFAOYSA-N	293.367	1.450	10	20	CDCD	
C[C@@H](NCCC(N)=O)c1ccc(N2CCOCC2)cc1	818978191	FPJYZWZSKFPZBJ-GFCCVEGCSA-N	277.368	1.049	10	20	CDCD	
CC[C@@]1(O)CCN(C(=O)c2c(F)ccc(O)c2O)C1	829071998	IFTLRVAQJXJLCJ-CYBMUJFWSA-N	269.272	1.224	10	20	CDCD	
CCc1nnc(C(=O)NCCc2ccc(O)c(O)c2)s1	901121467	FFTXEXJKXQZXSS-UHFFFAOYSA-N	293.348	1.484	10	20	CDCD	
C[C@H](O)CN(CC(F)F)C(=O)c1cccc(O)c1O	837007008	DZSHSVPKDQDKLL-ZETCQYMHSA-N	275.251	1.186	10	20	CDCD	
Cc1cc(CN2CCC[C@@H]2C(N)=O)ccc1N(C)C	831857137	GOOPAQNMBKKQJY-CQSZACIVSA-N	261.369	1.511	10	20	CDCD	
CC[C@@H](C(=O)O)C(=O)NCc1cccc(OC)c1O	911336123	AIAZFBJJKUMTEG-SECBINFHSA-N	267.281	1.128	10	20	CDCD	
CONC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C	840350370	ICGIEIWXMPIHOJ-LLVKDONJSA-N	265.357	1.853	10	20	CDCD	
CCOCc1cc(CN[C@@H]2COC[C@H]2OC)ccc1OC	842752769	VPJYUPWBETXXQP-GDBMZVCRSA-N	295.379	1.735	10	20	CDCD	
O=C(O)c1ccc(CNCc2cc3c(cc2O)OCO3)o1	740132177	FTHRKRUIAYAICD-UHFFFAOYSA-N	291.259	1.702	10	20	CDCD	
CCN1C(=O)C(C)(C)N[C@@H]1c1cc2c(cc1O)OCO2	840832691	DMTOLPKGODQXJQ-LBPRGKRZSA-N	278.308	1.350	10	20	CDCD	
CNCCCN(C)Cc1ccc(N2CCOCC2)c(F)c1	841104431	RMIINOQPJBWRIZ-UHFFFAOYSA-N	295.402	1.704	10	20	CDCD	
CC(C)N(C)C(=O)NC[C@H](N)c1ccc(N(C)C)cc1	842784976	JIBQBACSKPRPJP-AWEZNQCLSA-N	278.400	1.802	10	20	CDCD	
C[C@H]1CNCCN1Cc1cc(Cl)cc([N+](=O)[O-])c1O	843048268	VYWUBWGYDVDLPK-QMMMGPOBSA-N	285.731	1.748	10	20	CDCD	
C[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(N)cc2)CC1	841025832	JPRIGKJUNZWHDD-LLVKDONJSA-N	275.352	1.856	10	20	CDCD	
COCCNCCNCc1cc(Cl)ccc1O	841049064	YJJPBANETXFXRT-UHFFFAOYSA-N	258.749	1.371	10	20	CDCD	
C[C@H]1CCC[C@@]1(O)CNC(=O)NCCc1ccc(N)cc1	841955901	QYAKZFNVMICMPE-BLLLJJGKSA-N	291.395	1.662	10	20	CDCD	
Cc1ccc(C(=O)N[C@H](CO)C[C@H]2CCCO2)c(O)c1O	923740713	JRDFEEYLIWXUAP-WDEREUQCSA-N	295.335	1.066	10	20	CDCD	
CN[C@H](CC(C)(C)C)C(=O)NCCc1ccc(N)cc1	841848151	XPVCXSNLDRMZDI-CQSZACIVSA-N	277.412	1.952	10	20	CDCD	
Cc1cc(CN2C[C@@H]3CC[C@H](C2)N3)ccc1N(C)C	923411286	CABNBBKMKWIULR-GASCZTMLSA-N	259.397	1.997	10	20	CDCD	
O=C(c1cc(O)cs1)N1CC[C@]2(CCOC2)C1	757426026	VJIGDIVBMXDANH-LBPRGKRZSA-N	253.323	1.706	10	20	CDCD	
Cc1nccnc1C(=O)NC[C@H](N)c1ccc(N(C)C)cc1	852792600	YOQVYDZTUCXQFL-AWEZNQCLSA-N	299.378	1.281	10	20	CDCD	
O=C(NCc1ccccc1O)c1cn2c(n1)CCCC2	697228275	ROJSHYRNRPZMER-UHFFFAOYSA-N	271.320	1.855	10	20	CDCD	
Cc1ccc(O)c(CN2CCN(C(=O)C3CC3)CC2)c1	768193686	IXJXTTHXMAMAQY-UHFFFAOYSA-N	274.364	1.755	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCOC2(CCOCC2)C1	768381923	FRGCRTZBYASHJN-UHFFFAOYSA-N	283.349	1.475	10	20	CDCD	
CCOC(=O)C[C@H](O)COc1ccc(N(C)C)cc1	863469799	JZGXOYHZYHUEBT-LBPRGKRZSA-N	267.325	1.446	10	20	CDCD	
Cc1ccc([C@H](C)N[C@@H]2COC[C@@H]2O)c(O)c1C	866421280	YLHCOORHYWQGLP-UHTWSYAYSA-N	251.326	1.419	10	20	CDCD	
C[C@@H](O)CN(C)Cc1cc(F)c(N(C)C)cc1F	862324134	DHWUCHDVRSAAQX-SECBINFHSA-N	258.312	1.843	10	20	CDCD	
COC(=O)[C@H]1C[C@H](O)CN(Cc2c(C)cccc2O)C1	877607387	ACQHYCFALZZBDF-RYUDHWBXSA-N	279.336	1.056	10	20	CDCD	
COc1cccc(CN[C@H]2C[C@H](C(=O)O)C2)c1O	1119096612	HSPHVRVJIOWORC-MGCOHNPYSA-N	251.282	1.354	10	20	CDCD	
CO[C@H](CNCc1ccccc1O)C1CCOCC1	876995621	IDYXBNGMZONGPG-OAHLLOKOSA-N	265.353	1.923	10	20	CDCD	
C[C@@H](NC(=O)CCc1nc[nH]n1)c1ccc(N(C)C)cc1	773018695	ZQNRSFZTCSELOZ-LLVKDONJSA-N	287.367	1.681	10	20	CDCD	
COCCCn1cc(C(=O)Nc2ccc(N)cc2)cn1	876504629	RKOCXSZNUNCXIM-UHFFFAOYSA-N	274.324	1.754	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[C@H]1CCO	779283730	JNDHUPTVQHOAIF-FUEXJSSKSA-N	277.320	1.484	10	20	CDCD	
Nc1ccc(OCc2cn(CCOCC(F)F)nn2)cc1	881369598	VNVQEYHLWVWNIU-UHFFFAOYSA-N	298.293	1.721	10	20	CDCD	
COC(=O)[C@@]1(C)CN(Cc2ccc(N)cc2)C[C@@H]1C	1120269382	RPLPOZNYRBMJGF-NHYWBVRUSA-N	262.353	1.900	10	20	CDCD	
CC(=O)c1cc(F)cc(Cn2cc([C@H](C)N)nn2)c1O	880995958	JUOSHAGHFZVSAR-ZETCQYMHSA-N	278.287	1.393	10	20	CDCD	
CCOc1ccc(CN(C)CC2(O)CCOCC2)c(O)c1	783715642	NRLXRDLYWLIUTE-UHFFFAOYSA-N	295.379	1.764	10	20	CDCD	
COc1cc(C)cc([C@@H]2NC(=O)[C@@H]3CSCCN32)c1O	887330101	XXDAENDOYMYFRZ-GXFFZTMASA-N	294.376	1.255	10	20	CDCD	
COc1ccc(O)c(CNC(=O)C2(OC)CCC2)c1	782012458	DQVOCJZRTMUZNL-UHFFFAOYSA-N	265.309	1.586	10	20	CDCD	
CC[C@@](C)(O)CNCc1cc(C)cc(OC)c1O	894164117	CUTXWLWIVPSALG-CQSZACIVSA-N	253.342	1.960	10	20	CDCD	
CCOC(=O)[C@@H]1CCN(Cc2cccc(OC)c2O)C1	896962598	OKQZOTATNAJKOW-GFCCVEGCSA-N	279.336	1.786	10	20	CDCD	
COc1cccc(O)c1CN1CC(=O)N(C2CC2)C1	790943737	ZUUHBCSKZFCASH-UHFFFAOYSA-N	262.309	1.165	10	20	CDCD	
COC(=O)[C@H]1CCCN(C(=O)Cc2ccc(N)cc2)C1	82699033	AORJBJKIJDQASG-LBPRGKRZSA-N	276.336	1.223	10	20	CDCD	
Cc1n[nH]c(C)c1CC(=O)N(C)c1ccc(N)cc1	702050477	ZXDGMEVDEOHJKA-UHFFFAOYSA-N	258.325	1.814	10	20	CDCD	
O=C(NCc1cccc(O)c1O)[C@@H]1CCO[C@H]1C1CC1	1176577029	YQVMENAESKPPPP-RISCZKNCSA-N	277.320	1.529	10	20	CDCD	
CC[C@H](NC[C@H](O)CN(C)C)c1ccccc1O	717355552	VJEZKOXBXKKGOW-AAEUAGOBSA-N	252.358	1.355	10	20	CDCD	
O=C(NCc1cccc(O)c1O)[C@]1(Cl)C[C@H]2CC[C@H]1O2	1348047095	LSJNKCKRXZOXNW-UDZFHETQSA-N	297.738	1.643	10	20	CDCD	
CN(C)c1cc(F)c(CNCCc2nc[nH]n2)cc1F	1261787656	WJTGTLHAJFBRRP-UHFFFAOYSA-N	281.310	1.481	10	20	CDCD	
C[C@@H](CC(=O)NCc1cccc(O)c1O)n1ccnc1	1347541152	CZFBUQUJPFCBAL-JTQLQIEISA-N	275.308	1.562	10	20	CDCD	
CO[C@](C)(CNC(=O)NCc1ccc(N)cc1)C1CC1	1353405137	ITZHRRPJHPOMHJ-OAHLLOKOSA-N	277.368	1.883	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)c1ccnc(C(=O)O)c1	1601540206	TWKBIGJZZWOJKK-UHFFFAOYSA-N	288.259	1.121	10	20	CDCD	
NC[C@@]12CC[C@H]1CCN2Cc1cc(F)c(F)cc1O	1580253228	JHVVDLYWXSRJTE-HZMBPMFUSA-N	268.307	1.984	10	20	CDCD	
COc1ccc(O)c(CNc2ncc(C(=O)O)cn2)c1	1599598954	WWEVUTHICDXKQD-UHFFFAOYSA-N	275.264	1.501	10	20	CDCD	
COc1cccc(CNC(=O)NC2CC=CC2)c1O	154909335	HCDMKOLAIOUUNO-UHFFFAOYSA-N	262.309	1.919	10	20	CDCD	
Cc1nc(CC(=O)NCCc2ccc(N)cc2)cs1	169819563	LDMBORCIHAJDPN-UHFFFAOYSA-N	275.377	1.935	10	20	CDCD	
COC(C)(C)CN(C)C(=O)c1cccc(O)c1O	404321103	DBGRKYDZQSGJDR-UHFFFAOYSA-N	253.298	1.595	10	20	CDCD	
CCN1CCCN(C(=O)c2cccc(O)c2O)[C@@H](C)C1	319988440	GNGTVRCZDHBKHU-NSHDSACASA-N	278.352	1.654	10	20	CDCD	
Oc1cc2c(cc1CNC[C@H]1CCC=CO1)OCO2	380031255	ZWUWHVFNBCHYLF-LLVKDONJSA-N	263.293	1.903	10	20	CDCD	
O=C(NCc1ccc(F)cn1)c1cccc(O)c1O	790892146	VJNFDUKKNZUWSB-UHFFFAOYSA-N	262.240	1.562	10	20	CDCD	
COc1cc(O)c(CN(CCO)C2CC2)cc1OC	179689274	ZXJJOFWJMFBINI-UHFFFAOYSA-N	267.325	1.366	10	20	CDCD	
Cc1cc(O)c(CN2CCn3cnnc3C2)cc1C	111173860	ZBJKNLZAXFIZFW-UHFFFAOYSA-N	258.325	1.616	10	20	CDCD	
COCCc1nsc(NCCc2ccc(O)c(O)c2)n1	302827617	NRLOKGDBUIKBTF-UHFFFAOYSA-N	295.364	1.793	10	20	CDCD	
COc1ccc(O)c(CN[C@H]2CC[C@H](O)CC2)c1	252744083	RBMHWWYRSJIRNF-HAQNSBGRSA-N	251.326	1.794	10	20	CDCD	
CCC[C@]1(C)C(=O)NCCN1Cc1cc(OC)ccc1O	189032973	UXTDIWDUDHXFMZ-MRXNPFEDSA-N	292.379	1.891	10	20	CDCD	
COC[C@@H]1CCN(Cc2cc(OC)ccc2O)C1	211400524	XPPZYGRDRRWSEA-LLVKDONJSA-N	251.326	1.869	10	20	CDCD	
CNC(=O)CCNCc1cccc(Br)c1O	44990698	ZBBXULKSRYODBQ-UHFFFAOYSA-N	287.157	1.380	10	20	CDCD	
C[C@H](N)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1	40855905	TUMDIHNOWHXYML-ZDUSSCGKSA-N	275.396	1.983	10	20	CDCD	
O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1CCOC1	49354598	XSOMZBVLWQBAMI-CQSZACIVSA-N	274.364	1.940	10	20	CDCD	
CC[C@@H](N)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1	40855892	YXJXPCBFSHCJRK-OAHLLOKOSA-N	291.395	1.219	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H]1CC[C@@H](O)C1	191181223	QUKFNQKNWJCGHI-JKNNBXRXSA-N	277.320	1.388	10	20	CDCD	
CN(C)c1ccc(CNC(=O)C(C)(C)CN)cc1F	237056325	WGSHMSZJOMWIKK-UHFFFAOYSA-N	267.348	1.493	10	20	CDCD	
Cc1cc(C(=O)NCCNC2CC2)c(C)n1-c1ccccn1	237726987	RNNOGEHEIVJLJF-UHFFFAOYSA-N	298.390	1.971	10	20	CDCD	
CC(C)NC(=O)CCN[C@H]1CCc2cccc(O)c21	295879787	HNZJPCXYVCCWRU-LBPRGKRZSA-N	262.353	1.884	10	20	CDCD	
COC(=O)C(C)(C)CNC(=O)NCc1ccccc1O	268283423	WXVDZDBXFNYWMQ-UHFFFAOYSA-N	280.324	1.391	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCC[C@@]12CCOC2=O	368454974	MXNKEHZLUWKFHN-AWEZNQCLSA-N	277.276	1.020	10	20	CDCD	
CC(C)[C@@H](C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)N(C)C	274962692	UGOBLHYRKMKWMA-NHYWBVRUSA-N	294.395	1.731	10	20	CDCD	
CS[C@@H](CO)[C@@H](C)NC(=O)c1c(F)ccc(O)c1O	276590347	MZMSBXGSBWMSGW-MUWHJKNJSA-N	289.328	1.079	10	20	CDCD	
COC1CC(C(=O)N2CCOc3cc(N(C)C)ccc32)C1	625915796	AJADAFSISHTFLL-UHFFFAOYSA-N	290.363	1.903	10	20	CDCD	
COc1ccc(-c2n[nH]c(SCC(=O)C(C)=O)n2)cc1	808015026	JLYQOBMFCQDQJG-UHFFFAOYSA-N	291.332	1.731	10	20	CDCD	
CCO[C@@H]1C[C@H](NC(=O)c2c(F)ccc(O)c2O)[C@@H]1OC	295018058	UEJOWEJNSPNLGD-PLMOITTCSA-N	299.298	1.159	10	20	CDCD	
C[C@@H](O)C(=O)NCc1cc(Cl)cc(Cl)c1O	813685880	UPUCOXJTVKPYFW-RXMQYKEDSA-N	264.108	1.696	10	20	CDCD	
CC[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)[C@@H](C)O	824921643	OPDRDBSUVYYMHH-IUODEOHRSA-N	296.386	1.911	10	20	CDCD	
COc1ccc(O)c(CNC(=O)NC[C@@H]2CCCCO2)c1	734067500	PDJUUNXYCRZRPE-ZDUSSCGKSA-N	294.351	1.769	10	20	CDCD	
CC(C)(C)c1cc(O)c(O)c(CN2CC[C@@H]2CO)c1	902631185	VCQJCPKJXSPUGT-GFCCVEGCSA-N	265.353	1.962	10	20	CDCD	
CCNS(=O)(=O)NCc1ccc(N(C)C)cc1C	736336707	BBKOLCLNRCTBOV-UHFFFAOYSA-N	271.386	1.005	10	20	CDCD	
COc1cc(C)cc(CN2CC[C@H](C3OCCO3)C2)c1O	905694895	KMWZDUPBYNSXMA-LBPRGKRZSA-N	293.363	1.904	10	20	CDCD	
CN(C)CC(C)(C)CNC(=O)c1cc(O)cs1	732264691	IIOBJLPGTXATQD-UHFFFAOYSA-N	256.371	1.771	10	20	CDCD	
CC[C@@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)[C@H](C)O	838030459	ZVAKXBIEISDBHT-GXFFZTMASA-N	297.374	1.850	10	20	CDCD	
CCc1cccc(CN(CC)CC(=O)OC)c1O	848885602	LGEQSYGKOFZJQS-UHFFFAOYSA-N	251.326	1.950	10	20	CDCD	
COCC[C@H](CO)NCc1ccc(N(C)C)cc1C	840942363	BZLYHEKFDFOHNN-CQSZACIVSA-N	266.385	1.548	10	20	CDCD	
CCN(C)C[C@@H](O)CN[C@H](C)c1cc(OC)ccc1O	846843440	CMWMBOHDCOTSCW-NEPJUHHUSA-N	282.384	1.364	10	20	CDCD	
CCOc1cccc(CN[C@@H](CO)CCF)c1O	846098051	YMJYRDRKSWBMAO-LLVKDONJSA-N	257.305	1.601	10	20	CDCD	
C[C@H]1CN(Cc2ccc(N3CCOCC3)cc2)C[C@@H](C)N1	843051484	JHXCKTILCNECPQ-GASCZTMLSA-N	289.423	1.705	10	20	CDCD	
Cc1ccc(C(=O)N2CCCCC[C@@H]2CO)c(O)c1O	911951175	BYZFETRBWQHYCM-LLVKDONJSA-N	279.336	1.783	10	20	CDCD	
COc1cc(Cl)cc(CN[C@@H](C)CCN)c1O	841051156	OFTVWDSVCWBTGV-QMMMGPOBSA-N	258.749	1.881	10	20	CDCD	
C[C@H](CNC(=O)NCCc1ccc(N)cc1)N(C)C1CC1	841791476	XXUCGIKCXDLWTO-GFCCVEGCSA-N	290.411	1.593	10	20	CDCD	
CN(C)c1ccc(OCCN2C[C@@H]3CC[C@H](C2)O3)cc1	842042956	CNMCXXSZNLPATA-IYBDPMFKSA-N	276.380	1.995	10	20	CDCD	
CC(C)[C@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C(N)=O	759588277	KEFYNZIWHVGFDZ-BPJJOFIESA-N	279.292	1.164	10	20	CDCD	
CN(C)c1cc(F)c(CN[C@H](CO)C2CC2)cc1F	858137799	GVLOLFUEBOZDKA-CYBMUJFWSA-N	270.323	1.891	10	20	CDCD	
Cn1nc(C2CC2)nc1C(=O)NCCc1ccc(N)cc1	857765387	PUWYHKSXUUBSKH-UHFFFAOYSA-N	285.351	1.247	10	20	CDCD	
CCC1(C(=O)NCc2ccc(N(C)C)c(F)c2)COC1	755251468	UNNHRTCSSCHYCH-UHFFFAOYSA-N	280.343	1.935	10	20	CDCD	
C[C@@H](NC(=O)NC/C=C\CO)c1ccc(N(C)C)cc1	854002635	CBOBZSPDMVEMFY-QMAVJUDZSA-N	277.368	1.661	10	20	CDCD	
Cc1ccc(O)c(CN2C[C@@H]3COC[C@]3(C(=O)O)C2)c1	854240655	BICKUIYLSBJZLV-IUODEOHRSA-N	277.320	1.234	10	20	CDCD	
Cc1cccc(O)c1CN[C@@H](C)CN1CCCC1=O	876950800	WNPYIWJRYZXHQN-LBPRGKRZSA-N	262.353	1.801	10	20	CDCD	
Cn1ccc(CCNC(=O)/C=C/c2ccc(O)c(O)c2)n1	760966138	HMPVRYUIMXVHCW-HWKANZROSA-N	287.319	1.203	10	20	CDCD	
C[C@@H](NCc1ncnn1CCF)c1ccccc1O	879648887	FDNBCPYZYNHFLK-SNVBAGLBSA-N	264.304	1.804	10	20	CDCD	
Cc1ccc(CN(CCO)C2CCN(C)CC2)c(O)c1	876511941	CQTUWPMHFAQVBB-UHFFFAOYSA-N	278.396	1.589	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NCc1cocn1	779515883	VKZRIKZMGKBXNX-DUXPYHPUSA-N	260.249	1.415	10	20	CDCD	
Cc1cccc(O)c1CN[C@@H]1CCc2c(nnn2C)C1	877617948	AHTWWWPMEYKBLA-LLVKDONJSA-N	272.352	1.476	10	20	CDCD	
Cc1cc(O)c(CN2CCSC[C@@H]2CO)cc1C	877780300	MFCKEJYQOBQIBF-ZDUSSCGKSA-N	267.394	1.919	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2ccc3nc[nH]c3n2)cc1	770469988	LZVVZSPYDIGZNC-UHFFFAOYSA-N	295.346	1.954	10	20	CDCD	
Cc1cc(CN(C)C(=O)NCc2ccc(N)cc2)no1	1120681178	HBYVNAAVVGQEAJ-UHFFFAOYSA-N	274.324	1.907	10	20	CDCD	
CC[C@H]1CN(Cc2c(O)cccc2OC)C[C@@H]1O	770380752	NPVFPINRFOTTPU-GWCFXTLKSA-N	251.326	1.604	10	20	CDCD	
Oc1c(F)cc(Cl)cc1CN1C[C@H]2CNC[C@@H]2C1	775748379	XHRVWKVBXLHBIO-NXEZZACHSA-N	270.735	1.836	10	20	CDCD	
C[C@@H](NCCCNS(C)(=O)=O)c1c(O)cccc1F	886496878	KJMUIAZBSKEVIZ-SECBINFHSA-N	290.360	1.121	10	20	CDCD	
O=C1N[C@H](c2cc(F)cc(F)c2O)N2CCSC[C@@H]12	887329516	IRQIRGKQNWWRGI-ONGXEEELSA-N	286.303	1.216	10	20	CDCD	
CCC[C@@H](O)[C@H](CO)NCc1cc(F)cc(F)c1O	883145766	MWEWMOQQZQYYOZ-NWDGAFQWSA-N	275.295	1.282	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1C[C@@H]2C[C@H]2C1	886328494	KTXPBVFQWNLPNA-GJZGRUSLSA-N	287.407	1.663	10	20	CDCD	
CCNC(=O)CC(=O)NCc1c(O)ccc2c1CCCC2	780984711	MIQTYCAPZDEZFP-UHFFFAOYSA-N	290.363	1.413	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNCCO[C@H]1CCOC1	897202700	WOFIGGHYBLHQKD-INIZCTEOSA-N	278.396	1.956	10	20	CDCD	
CCOC(=O)C1(CNC(=O)c2cccc(O)c2O)CCC1	790771431	BVVMFHRFJRZTPP-UHFFFAOYSA-N	293.319	1.561	10	20	CDCD	
CN1C[C@H](NCc2c(O)ccc(Cl)c2F)CC1=O	790954952	HCXNCNNMVIFMNY-SSDOTTSWSA-N	272.707	1.505	10	20	CDCD	
CN(C)c1ccc(CNC(=O)COC(F)F)cc1	794619369	WHZNBTNTEPRFHA-UHFFFAOYSA-N	258.268	1.608	10	20	CDCD	
CC(=O)NCCC1=CCN(c2nc(C)nc(C)c2F)CC1	1089802679	TXBWFFRPAFPZOV-UHFFFAOYSA-N	292.358	1.895	10	20	CDCD	
COc1ccc(O)c([C@H](C)NCCCC(=O)O)c1	37418222	SKVFYPAGTMYDDH-VIFPVBQESA-N	253.298	1.916	10	20	CDCD	
CCN1CC(=O)N[C@H]1c1ccc(N2CCCC2)cc1	1320662202	PBVOYOANSHQGMW-OAHLLOKOSA-N	259.353	1.737	10	20	CDCD	
CC[C@H](C)CN(C)C(=O)C(=O)N(C)Cc1ccccc1O	1326906770	LDEJNWNETDBTNI-LBPRGKRZSA-N	292.379	1.855	10	20	CDCD	
C[C@H]1C[C@@H](C(=O)NCCc2ccc(O)c(O)c2)CO1	784447573	VJRCLRKCDVEGFM-GXSJLCMTSA-N	265.309	1.182	10	20	CDCD	
CCOC(=O)CN(Cc1cnon1)Cc1ccccc1O	1261639335	AQPCEJKUUTYMER-UHFFFAOYSA-N	291.307	1.341	10	20	CDCD	
COc1ccc(CN2CCC[C@H](N(C)C)C2)c(O)c1OC	1262356709	KVHHSHMLWFUPID-ZDUSSCGKSA-N	294.395	1.935	10	20	CDCD	
CC(C)(CF)NC(=O)NCCc1ccc(N)cc1	1348559948	ANTPUCJFAJTDKL-UHFFFAOYSA-N	253.321	1.859	10	20	CDCD	
CN(CC(=O)N1CCCC1)C(=O)NCc1ccc(N)cc1	1353532410	ZTUFQNLMEMJDBO-UHFFFAOYSA-N	290.367	1.033	10	20	CDCD	
C[C@@H](NC(=O)[C@@]1(F)CCOC1)c1ccccc1O	1352971807	NJFSWCLBIBPDFR-NOZJJQNGSA-N	253.273	1.698	10	20	CDCD	
O=C(O)C1=CC[C@@H](NCc2cc(F)cc(F)c2O)C1	1350653433	OGKIIAOZVZHRBY-SNVBAGLBSA-N	269.247	1.933	10	20	CDCD	
Cc1nc(CSc2ncc(C(=O)O)s2)n[nH]1	1610550218	GKAXIILCGRIDJK-UHFFFAOYSA-N	256.312	1.560	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CC[C@H]1C(=O)O	1589079615	UDRDAJRIMFSBCH-JMJZKYOTSA-N	293.319	1.256	10	20	CDCD	
CC[C@H](N[C@@H](C)c1cc(OC)ccc1O)C(=O)O	1593623343	WBDHNHHARBPLNK-KWQFWETISA-N	253.298	1.915	10	20	CDCD	
COc1ccc(CN[C@@H]2CN(C(C)=O)C[C@H]2C)cc1C	1054305895	PQLKWRXRNJEORN-IUODEOHRSA-N	276.380	1.960	10	20	CDCD	
CCn1ncc(CNCc2ccc3c(c2)CCO3)n1	838922364	IYTKTXZQMDKMOK-UHFFFAOYSA-N	258.325	1.523	10	20	CDCD	
COC[C@@H](C)OC[C@H](O)CN(C)c1ccc(OC)cc1	844353214	RAEDRUXBCUILNY-TZMCWYRMSA-N	283.368	1.544	10	20	CDCD	
CC(C)[C@@H](CCO)NCc1cc2c(cc1O)OCO2	230688564	PGLVDZPBWNMSEV-LLVKDONJSA-N	267.325	1.618	10	20	CDCD	
CN(C)c1ccc(CN[C@@H]2CCCCNC2=O)cc1	35225046	PKLYSWDDNWEOBR-CQSZACIVSA-N	261.369	1.511	10	20	CDCD	
C[C@](O)(CNCc1cc(F)ccc1O)C(F)(F)F	272527470	ZEFFZBAZBLTAPU-JTQLQIEISA-N	267.222	1.934	10	20	CDCD	
C[C@@H](NCC1(S(C)(=O)=O)CC1)c1ccccc1O	280898844	FQKOHELTOZXLAD-SNVBAGLBSA-N	269.366	1.620	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCC[C@H](O)CC1	294255261	BNGCYIWMAALSDN-VIFPVBQESA-N	251.282	1.085	10	20	CDCD	
C[C@@H](NC[C@H](O)CN(C)C)c1ccc(N(C)C)cc1	305109978	FKRTVJBWPYNDQB-DOMZBBRYSA-N	265.401	1.326	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)[C@H]1Cc2ccccc2O1	178424578	UNAVFVBYCQFRPG-MRXNPFEDSA-N	299.326	1.760	10	20	CDCD	
COC(=O)N[C@H](C(=O)N(C)Cc1ccccc1O)C(C)C	66621458	JTTOXOFVMZZSPQ-ZDUSSCGKSA-N	294.351	1.731	10	20	CDCD	
Cc1nnc(CC(=O)NCc2ccc(N(C)C)c(F)c2)o1	170830192	HDDPZISOVOUMSX-UHFFFAOYSA-N	292.314	1.442	10	20	CDCD	
Cc1cccc(CN2C[C@H](CO)OC[C@@H]2C)c1O	305800498	XDJKAQOXTQCHJW-WCQYABFASA-N	251.326	1.282	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1ccoc1	186424886	FSTUARJNZVIQDM-SNVBAGLBSA-N	275.304	1.981	10	20	CDCD	
C[C@H](CO)CCCNC(=O)c1cccc(O)c1O	229416835	OCODOHXLUGAJIO-VIFPVBQESA-N	253.298	1.236	10	20	CDCD	
COCCOC[C@H]1CCN(Cc2cccc(OC)c2O)C1	93755235	JJZROHSAYVRNPN-ZDUSSCGKSA-N	295.379	1.886	10	20	CDCD	
COc1cccc(CN2CCN(C)C(=O)C2(C)C)c1O	93642697	YZCHLYSXWNDABU-UHFFFAOYSA-N	278.352	1.453	10	20	CDCD	
CN[C@@H](C)CNC(=O)c1cc(C)n(-c2ccccn2)c1C	261674933	HAHHZCTYKJBBSL-NSHDSACASA-N	286.379	1.827	10	20	CDCD	
C[C@@H](NC[C@@H]1COCCN1)c1cc2c(cc1O)CCCC2	530221015	BUPCVIMVZIYDAK-IUODEOHRSA-N	290.407	1.910	10	20	CDCD	
O=C(NCc1ccccc1O)N[C@@H]1C[C@H]2CC[C@@H]1O2	265215637	KHRFGAYDCOHADF-WZRBSPASSA-N	262.309	1.511	10	20	CDCD	
COC(=O)[C@H](NCc1cc(OC)c(OC)cc1O)C1CC1	276459039	LBKFXBYBQNTPGD-CQSZACIVSA-N	295.335	1.451	10	20	CDCD	
Oc1ccc(F)cc1CN[C@H]1CCc2c[nH]nc2C1	373125364	NNRYHUPWILFMHC-LBPRGKRZSA-N	261.300	1.902	10	20	CDCD	
COC(=O)[C@@H]1CN(Cc2cccc(C)c2O)C[C@H]1C	280378496	VVRCYTVXARSUAE-DGCLKSJQSA-N	263.337	1.942	10	20	CDCD	
CO[C@H](C)CN(C)Cc1ccc(N2CCN(C)CC2)cc1	809717617	KZNOLFGUMKPMJE-OAHLLOKOSA-N	291.439	1.905	10	20	CDCD	
CC(=O)C1(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)CC1	293605413	YFUUJNWTTIMYDZ-SECBINFHSA-N	277.320	1.514	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[C@H](O)CC1	294705330	GTCHYAXDYNHCLP-FUEXJSSKSA-N	277.320	1.484	10	20	CDCD	
COc1ccc(O)c(CNCCC2(O)CCOCC2)c1	809694325	OKMQSVXZESADLC-UHFFFAOYSA-N	281.352	1.422	10	20	CDCD	
CCn1ccnc1C(=O)NCc1cccc(OC)c1O	292151264	MNWQIFUSAJPMPE-UHFFFAOYSA-N	275.308	1.547	10	20	CDCD	
CN(C(=O)c1cccc(O)c1O)[C@@H]1CC(C)(C)OC1=O	817072168	YSPXCXCNKLVYNX-SECBINFHSA-N	279.292	1.264	10	20	CDCD	
C[C@H]1C[C@H](CO)CN(Cc2cc(F)ccc2O)C1	817412030	BMKWQOQTDDGHHP-QWRGUYRKSA-N	253.317	1.982	10	20	CDCD	
C[C@H](NC[C@H](N)c1ccc(N(C)C)cc1)[C@@H]1CCCO1	817943315	UHBHWXOGBUISCX-RCBQFDQVSA-N	277.412	1.910	10	20	CDCD	
COc1ncc(/C=C/C(=O)N2CCCc3ncccc32)cn1	493592459	RIWQFGSPOLVJAG-VOTSOKGWSA-N	296.330	1.873	10	20	CDCD	
CCOc1ccc(O)c(CN2CC[C@H](C(=O)O)C2)c1	820387723	XWLCHFMPYRNSIK-JTQLQIEISA-N	265.309	1.697	10	20	CDCD	
CCOC(=O)C[C@@H](C)NC(=O)c1c(F)ccc(O)c1O	826937960	PNHSOYRSDYUYAU-SSDOTTSWSA-N	285.271	1.308	10	20	CDCD	
COCC[C@@H](C)NC(=O)NCCc1ccc(N)cc1	841773438	BQTPAOSRSRNCRO-LLVKDONJSA-N	265.357	1.536	10	20	CDCD	
C[C@@H](O)CN(C(=O)NCc1ccc(N(C)C)cc1)C1CC1	847276916	NVIOOCRYONVZKM-GFCCVEGCSA-N	291.395	1.807	10	20	CDCD	
CCOc1ccc(O)c(CN(C)CCCNC)c1	841104410	QOWQKNKNLZGWKC-UHFFFAOYSA-N	252.358	1.832	10	20	CDCD	
CNC[C@H]1CCN(Cc2cc(OC)c(OC)cc2O)C1	843051622	ACRMWGPGZUYHFI-LLVKDONJSA-N	280.368	1.451	10	20	CDCD	
CC[C@@](C)(O)CNC(=O)NCCc1ccc(N)cc1	841958307	YWKHEORBPQVEGN-CQSZACIVSA-N	265.357	1.272	10	20	CDCD	
C[C@H](NC(=O)N[C@H]1CCCNC1)c1ccc(N(C)C)cc1	841884180	YNEFGHQLTUSXRH-JSGCOSHPSA-N	290.411	1.865	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(C)(C)CO	847500286	HLFSBRKKKBBNNY-UHFFFAOYSA-N	264.369	1.696	10	20	CDCD	
Cn1cc(CCCOC(=O)c2cccc(O)c2O)cn1	758564070	ZUUKHEKMNHGNTH-UHFFFAOYSA-N	276.292	1.621	10	20	CDCD	
CCCN(CC(=O)N1CCC1)Cc1ccccc1O	68973664	PNEVWZHBBGFZIP-UHFFFAOYSA-N	262.353	1.837	10	20	CDCD	
C[C@H](O)[C@H]1CCCN1C(=O)NCc1ccc(N(C)C)cc1	853244540	NMCFJYCVMFSTIO-SWLSCSKDSA-N	291.395	1.807	10	20	CDCD	
CC[C@H](N[C@@H]1CCOC[C@H]1O)c1ccc(C)cc1O	858553252	MYOWURDPUMKDRT-GZBFAFLISA-N	265.353	1.891	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)CNC(=O)OC(C)(C)C)c1	862758541	CLBKVYXGIHSRFI-UHFFFAOYSA-N	294.351	1.842	10	20	CDCD	
O=C1O[C@H]2C[C@H]1N(Cc1c(O)cccc1Br)C2	862385183	PNQHOFFPPVNCEN-OIBJUYFYSA-N	298.136	1.654	10	20	CDCD	
CC[C@]1(C(=O)NCc2cc(Cl)ccc2O)CCNC1=O	869145860	CESXFZWZHDRMKD-AWEZNQCLSA-N	296.754	1.578	10	20	CDCD	
CN(C)c1ccc(CN[C@@H]2CCCNC(=O)C2)cc1	876905362	GRJKAFVDALQHAR-CYBMUJFWSA-N	261.369	1.511	10	20	CDCD	
CCC[C@@H](C)S(=O)(=O)NCc1ccc(O)cc1O	867416981	KPTLQOFMOZYXQD-SECBINFHSA-N	273.354	1.706	10	20	CDCD	
CCO[C@H](C(=O)NCc1cccc(OC)c1O)C1CC1	860240667	JYHJPEPZIYLTQS-AWEZNQCLSA-N	279.336	1.832	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)Nc1ncc([N+](=O)[O-])cn1	762800872	XBAPLPOFWCVNCC-QMMMGPOBSA-N	290.279	1.839	10	20	CDCD	
Cc1ccc(CN(C)C2(CO)CCOCC2)c(O)c1	877644701	QTKWBTRVDXCUCI-UHFFFAOYSA-N	265.353	1.674	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCC=CO1	773755378	AEGMHHKATDIXQT-HZMBPMFUSA-N	277.320	1.838	10	20	CDCD	
Cc1nnc(CCC(=O)NCc2ccc(N(C)C)cc2)o1	873828738	DQWNMMSKOCTBCG-UHFFFAOYSA-N	288.351	1.693	10	20	CDCD	
C[C@H](O)CCNCc1ccc(N2CCC(O)CC2)cc1	877046984	WCTJLFNZFZYSLD-ZDUSSCGKSA-N	278.396	1.508	10	20	CDCD	
COC(=O)C1(CNC(=O)c2cc(O)cs2)CC1	777223900	ANTCCGLJEFAIFH-UHFFFAOYSA-N	255.295	1.137	10	20	CDCD	
CC(C)[C@@H]1CN(C(=O)c2cc(O)cs2)CCO1	778515772	SYHDPAYIXFJWIG-JTQLQIEISA-N	255.339	1.951	10	20	CDCD	
CCC[C@H](NC(=O)NCc1ccc(N(C)C)cc1)C(=O)O	780349230	FSXNAUISEZOYNB-ZDUSSCGKSA-N	293.367	1.805	10	20	CDCD	
Cc1cccnc1C(=O)OCC(=O)c1ccc(O)c(O)c1	784020441	ZVRKQWCTHWCTFY-UHFFFAOYSA-N	287.271	1.841	10	20	CDCD	
CN(C)C[C@@H]1CCN(C(=O)c2cc(O)cs2)C1	782871455	SOYCREFMAWISNP-VIFPVBQESA-N	254.355	1.477	10	20	CDCD	
CN1CCN(c2ccc(CNC(=O)N3CCC3)cc2)CC1	889669588	NTDNZGQCRJWAMG-UHFFFAOYSA-N	288.395	1.354	10	20	CDCD	
COC[C@@]1(C)CCN(C(=O)NCc2ccc(N)cc2)C1	1120591638	DJUWZNHUVXAURD-HNNXBMFYSA-N	277.368	1.837	10	20	CDCD	
CC1=NO[C@@H](CNCc2cc(F)cc(F)c2O)C1	895300088	SCPQFDOZPFUXAO-SNVBAGLBSA-N	256.252	1.925	10	20	CDCD	
CNC(=O)[C@@H]1CCC[C@H]1N[C@@H](C)c1ccccc1O	783524603	HZXSMKDXOCBJSL-CYZMBNFOSA-N	262.353	1.958	10	20	CDCD	
COc1cc(C)cc(CNCCCOCCO)c1O	894433118	ALYJFRPTDNCOOR-UHFFFAOYSA-N	269.341	1.198	10	20	CDCD	
COc1cccc(O)c1CN1C[C@H](C)[S@@](=O)[C@H](C)C1	792193622	ZBXCKUJQPYFLQS-QEAOQQLJSA-N	283.393	1.742	10	20	CDCD	
CC[C@H](NC(=O)c1c(F)ccc(O)c1O)[C@H]1CCCO1	790075777	NTYGYLFYBRHJQG-GXSJLCMTSA-N	283.299	1.924	10	20	CDCD	
COc1ccc(CNC(=O)c2ccc(OC)nn2)c(O)c1	794383862	RKUGWAKZBQYTQX-UHFFFAOYSA-N	289.291	1.129	10	20	CDCD	
CN(C)C(=O)CNCc1cc(Cl)cc(Cl)c1O	37225365	DXRSKHZENWYEBM-UHFFFAOYSA-N	277.151	1.877	10	20	CDCD	
CC[C@H](NCc1nnc2n1CCOC2)c1ccccc1O	1321029732	SFILJLLXNBRYRM-LBPRGKRZSA-N	288.351	1.755	10	20	CDCD	
C[C@@H]1CCCN(C(=O)NCc2ccc(N)cc2)[C@@H]1CCN	1337019794	VLLWGNHPZNVLRM-IUODEOHRSA-N	290.411	1.928	10	20	CDCD	
COc1cccc(CN[C@@H](C)c2ncnn2C)c1O	788972192	WXFMVMWQYILNCI-VIFPVBQESA-N	262.313	1.380	10	20	CDCD	
CC[C@@]1(O)CCN(C(=O)NCc2ccc(N)cc2)C1	1262603640	PHZXSDDBHDMZFH-CQSZACIVSA-N	263.341	1.325	10	20	CDCD	
CNC[C@H](C)CNC(=O)N(C)Cc1ccccc1O	1261376839	ZPSZUAMLYPHHDM-NSHDSACASA-N	265.357	1.389	10	20	CDCD	
Cc1ccc(O)c(CNS(=O)(=O)N(C)C(C)C)c1	1261796723	KQZYUMKIRGCFRU-UHFFFAOYSA-N	272.370	1.375	10	20	CDCD	
C[C@@H](CC(=O)O)C(=O)NCc1c(O)cccc1F	1604095002	LYONFDLMVWTUFA-ZETCQYMHSA-N	255.245	1.258	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N[C@H](C(=O)O)C1CC1	1601238148	GNUHGGNZADYXBF-XYRDXQRHSA-N	277.276	1.090	10	20	CDCD	
C[C@@H](NCCCCO)c1cc(C(=O)O)ccc1O	1593265194	QUMLHKGQLWTXDN-SECBINFHSA-N	253.298	1.514	10	20	CDCD	
C[C@@H](NCCn1cc(C(=O)O)nn1)c1ccc(F)cc1O	1593286218	QAXFZSNYHAQTBQ-MRVPVSSYSA-N	294.286	1.172	10	20	CDCD	
C[C@H](NC[C@@H]1CCS(=O)(=O)C1)c1ccc(N(C)C)cc1	38083398	ILYMOGJWYUVPTK-STQMWFEESA-N	296.436	1.838	10	20	CDCD	
COc1cccc(CN2CC[C@H](C(=O)O)[C@H](C)C2)c1O	312898633	RXMHFGVRAAXQCG-PWSUYJOCSA-N	279.336	1.943	10	20	CDCD	
O=C(O)c1ccc(C(=O)NCc2ccccc2O)o1	1610823575	VVCPNNJZIVVNQE-UHFFFAOYSA-N	261.233	1.613	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)Nc1cccnc1	115171576	ALENGTSNZQPVMJ-UHFFFAOYSA-N	273.292	1.857	10	20	CDCD	
COCCCN1CCOc2cc(N(C)C)ccc21	119956136	GWZGAYCYPZHTJR-UHFFFAOYSA-N	250.342	1.988	10	20	CDCD	
Cc1cc(C(=O)N2CC[C@H](O)C2)c(C)n1-c1ccccn1	304868446	IXQKBALJLUNSOS-ZDUSSCGKSA-N	285.347	1.696	10	20	CDCD	
COC(=O)COc1ccc(N(C)Cc2ncnn2C)cc1	183800820	URNMHTWZQRPQOW-UHFFFAOYSA-N	290.323	1.003	10	20	CDCD	
COc1ccc(O)c(CN2CCC(OC(C)=O)CC2)c1	180278623	FKKNPMSGGHMTPB-UHFFFAOYSA-N	279.336	1.928	10	20	CDCD	
COCCN1CCN(Cc2cccc(OC)c2O)CC1	123014071	WRXRKOYLNCYHDQ-UHFFFAOYSA-N	280.368	1.165	10	20	CDCD	
COCCC1(C(=O)NCc2ccc(O)c(O)c2)CC1	182533103	DESARNQWVORZRJ-UHFFFAOYSA-N	265.309	1.531	10	20	CDCD	
COC[C@H]1CN(Cc2ccc(N(C)C)cc2)CCO1	93528190	LJMXYZBMXWKQIA-OAHLLOKOSA-N	264.369	1.600	10	20	CDCD	
Cc1ccc(O)c(CN2CC[C@H](CN3CCOCC3)C2)c1	93665157	RZJKNIKDUWMASC-OAHLLOKOSA-N	290.407	1.855	10	20	CDCD	
CCOc1ccc(O)c(CN[C@@H]2CC(=O)N(C)C2)c1	263789234	XKDKFQKNSAIRPD-LLVKDONJSA-N	264.325	1.111	10	20	CDCD	
CCc1nnc(C)cc1C(=O)NCc1ccc(O)c(O)c1	273579404	DORJXFZXXQIVJJ-UHFFFAOYSA-N	287.319	1.689	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H](C)CCO)c1O	278493169	LRQZBEBOECEXCJ-QMMMGPOBSA-N	270.285	1.170	10	20	CDCD	
C[C@@H](NC[C@H](O)C1CCOCC1)c1ccc(F)cc1O	273345755	APUUPIOWNXCXLG-BMIGLBTASA-N	283.343	1.969	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)N[C@H](C)CO)c1	273407639	OWFADLYZECOYNP-RKDXNWHRSA-N	253.298	1.210	10	20	CDCD	
CN(C)c1ccc(CNCCC2(O)CCOCC2)cc1	285535322	PLYQYGJHWUJSTE-UHFFFAOYSA-N	278.396	1.774	10	20	CDCD	
C[C@H]1CCC[C@]1(O)CNC(=O)c1c(F)ccc(O)c1O	295626148	PMEBSGGSJICKJP-RTHLEPHNSA-N	283.299	1.518	10	20	CDCD	
CC(C)n1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)nn1	806571463	IJCLCZDNINQBJQ-JYRVWZFOSA-N	297.318	1.320	10	20	CDCD	
COCCCN(CCO)Cc1ccc(N(C)C)c(C)c1	294755170	XXVKMQKIRJGATG-UHFFFAOYSA-N	280.412	1.892	10	20	CDCD	
C[C@H]1COCC[C@H]1CNC(=O)c1cccc(O)c1O	804616878	DDMFVYMDKHFRHD-UWVGGRQHSA-N	265.309	1.500	10	20	CDCD	
C[C@H]1CN(C(=O)c2c(F)ccc(O)c2O)C[C@@H](C2CC2)O1	296319284	ORBNTHYVTPDJBZ-UFBFGSQYSA-N	295.310	1.876	10	20	CDCD	
CC[C@@H](O)CNC[C@@H]1CCN(c2ccc(OC)cc2)C1	819381107	VSVPJUBIKMBJIG-DZGCQCFKSA-N	278.396	1.882	10	20	CDCD	
COc1ccc2c(c1)CCCCN2CC(=O)NCC(=O)O	820853266	HLMCTGSWVGUPPC-UHFFFAOYSA-N	292.335	1.039	10	20	CDCD	
Cc1cc(O)c(CN[C@H](C)C(=O)NCCF)cc1Cl	825773987	SKIOIPYUEOIQMJ-SECBINFHSA-N	288.750	1.918	10	20	CDCD	
COc1cccc(CNC(=O)NC[C@H]2CC[C@H](C)O2)c1O	838744976	MTSFDHKZRSVGAG-CMPLNLGQSA-N	294.351	1.768	10	20	CDCD	
C[C@@H]1CC[C@H](CNC(=O)c2c(F)ccc(O)c2O)O1	839792002	FQGOTZPTFHMFCY-HTQZYQBOSA-N	269.272	1.534	10	20	CDCD	
Cc1ncc2c(n1)CC[C@@H](NC(=O)c1cc(O)cs1)C2	732266984	SIKLXJHSGMPNLG-SNVBAGLBSA-N	289.360	1.839	10	20	CDCD	
Nc1ccc(NC(=O)[C@H]2COCCN2C2CCCC2)cc1	832250425	QGOPBZMVIDWRNU-OAHLLOKOSA-N	289.379	1.851	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2	837467418	FYLRYSUDUZPGAP-UHTWSYAYSA-N	273.332	1.966	10	20	CDCD	
Cc1ccc(O)c(CNCc2nc([C@@H]3CCCO3)n[nH]2)c1	848563429	VDXIRUJNJXULRI-ZDUSSCGKSA-N	288.351	1.960	10	20	CDCD	
C[C@H]1CN(Cc2cc3c(cc2O)OCO3)[C@@H](C)CN1	843119762	IROLQJLTTCHIBW-UWVGGRQHSA-N	264.325	1.303	10	20	CDCD	
CCNCC1CCN(Cc2cc3c(cc2O)OCO3)CC1	843056223	WUJRBXXSOFPRTH-UHFFFAOYSA-N	292.379	1.942	10	20	CDCD	
COc1cc(CN2CC(=O)N[C@H](C)C2)c(O)cc1C	840135204	RQMFYKKQHGZMSE-SNVBAGLBSA-N	264.325	1.030	10	20	CDCD	
C[C@H]1CN(Cc2cc3c(cc2O)OCO3)C[C@H](C)N1	843049127	FXWGMYMTJWSIJZ-UWVGGRQHSA-N	264.325	1.303	10	20	CDCD	
C[C@H]1C[C@@H](NC(=O)c2cc(O)cs2)CCN1C	743638982	TXDKJZPSVDYLRB-IUCAKERBSA-N	254.355	1.666	10	20	CDCD	
Oc1c(F)cc(Cl)cc1CN1CCCNCC1	843047616	QPKOAIGVPDKOSL-UHFFFAOYSA-N	258.724	1.980	10	20	CDCD	
Oc1cc2c(cc1CNCCC[C@H]1CCCN1)OCO2	841072385	JDJRLVQMFLWQET-LBPRGKRZSA-N	278.352	1.743	10	20	CDCD	
COc1cccc(CNCC[C@@H]2CCNC2)c1O	841037522	VCGARRRFEMLUBJ-NSHDSACASA-N	250.342	1.490	10	20	CDCD	
COc1ccc(CNC(=O)N[C@@H]2CCC[C@H](N)C2)c(O)c1	841981977	LWPYHWQABTZFCO-NWDGAFQWSA-N	293.367	1.470	10	20	CDCD	
COc1cc(Cl)cc(CNC[C@H]2CCCN2)c1O	841035275	JOJKIMSJLLBIIS-LLVKDONJSA-N	270.760	1.896	10	20	CDCD	
COc1cc(N2[C@H]3CC[C@H]2COC3)c([N+](=O)[O-])cc1OC	840341561	LMONBWQNLMZQQW-UWVGGRQHSA-N	294.307	1.980	10	20	CDCD	
Cc1ncoc1C(=O)NCc1ccc(N(C)C)cc1	747200485	XWHYRNIWGOEJTG-UHFFFAOYSA-N	259.309	1.979	10	20	CDCD	
Nc1ccc(NC(=O)C(=O)N2C[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2)cc1	841137570	WEOUCOGESQWMOS-UOVKNHIHSA-N	299.374	1.712	10	20	CDCD	
CN1C[C@@H](N(C)Cc2ccc(N(C)C)cc2)CCC1=O	846921504	UVALOWGZZYSLJD-HNNXBMFYSA-N	275.396	1.805	10	20	CDCD	
C[C@@H](NC[C@@H](O)Cn1ccnn1)c1cc(Cl)ccc1O	840805059	LNJSIUJGOFEQDV-MWLCHTKSSA-N	296.758	1.349	10	20	CDCD	
CN(C)c1ccc([C@H](N)CNCc2cccnc2)cc1	841043957	RTFGAKWEGRTKSG-MRXNPFEDSA-N	270.380	1.937	10	20	CDCD	
Nc1ccc(CCNC(=O)N2CCC[C@@H]3OCC[C@@H]32)cc1	851663176	VGGWJKJGKQYTPN-GJZGRUSLSA-N	289.379	1.774	10	20	CDCD	
COc1ccc(CNCc2nc(C(N)=O)cs2)cc1C	850384947	UVRSCVVSQJVXDZ-UHFFFAOYSA-N	291.376	1.849	10	20	CDCD	
CN(CC(C)(C)N)C(=O)NCCc1ccc(N)cc1	851663155	UWMKIXIONKFOMD-UHFFFAOYSA-N	264.373	1.190	10	20	CDCD	
COc1cc(O)c(CNC[C@H]2C[C@@H](O)C2)cc1OC	862527614	CYGKMJCKLQOFQZ-JGZJWPJOSA-N	267.325	1.270	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H](C)[C@@H](O)CC	935945346	UJDSKCOIKAWYIN-MNOVXSKESA-N	286.368	1.901	10	20	CDCD	
Cc1cnn(C)c1S(=O)(=O)N[C@H](C)c1ccccc1O	867833945	AKERLWJLBKZZRP-SNVBAGLBSA-N	295.364	1.474	10	20	CDCD	
COC(=O)C[C@@]1(NCc2ccc3c(c2)CCO3)CCOC1	766468762	MKLIXNWDMSFJDU-INIZCTEOSA-N	291.347	1.433	10	20	CDCD	
CC[C@](C)(CO)NCc1ccc([N+](=O)[O-])c(OC)c1O	775051854	QFMKOFZWQZKGMX-CYBMUJFWSA-N	284.312	1.560	10	20	CDCD	
Cc1ccc(O)c(CNC[C@@](C)(O)C(=O)OC(C)(C)C)c1	776520973	RKXGOENYMHIRBW-MRXNPFEDSA-N	295.379	1.883	10	20	CDCD	
Cc1ccc(CN2C[C@@H](C)S(=O)(=O)[C@H](C)C2)c(O)c1	877542791	RQDKIPKKZPBMHK-VXGBXAGGSA-N	283.393	1.708	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C1=COCC1	773739890	GKMFGZRCZWDPKG-VIFPVBQESA-N	263.293	1.449	10	20	CDCD	
CC(=O)c1cc(F)cc(Cn2cc([C@H](C)O)nn2)c1O	880996182	PLHZZASMUNVKAS-QMMMGPOBSA-N	279.271	1.427	10	20	CDCD	
CC[C@@H](C)C[C@@H](N)C(=O)NCc1ccc(OC)cc1O	1122064810	JEZIZDOKMNRPMN-ZWNOBZJWSA-N	280.368	1.781	10	20	CDCD	
Cc1cccnc1CNC(=O)c1c(F)ccc(O)c1O	789976922	TVCJWIGRGXMSTQ-UHFFFAOYSA-N	276.267	1.870	10	20	CDCD	
COc1cc(C)cc(CN2CCC[C@]23CCOC3=O)c1O	894496814	FRCPJTMBMHNRRV-MRXNPFEDSA-N	291.347	1.991	10	20	CDCD	
CCN(Cc1ccc(OC)c(OC)c1O)[C@H](C)CO	894582273	NBPTWRFAMIXNOX-SNVBAGLBSA-N	269.341	1.612	10	20	CDCD	
Cc1c[nH]nc1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	799719556	PRYPYHVAKMVQCA-VIFPVBQESA-N	275.308	1.490	10	20	CDCD	
COC(=O)CCN[C@H](C)c1ccc(N(C)C)cc1	37252088	GJGDCICTKHUOGE-LLVKDONJSA-N	250.342	1.966	10	20	CDCD	
COc1cccc(CNC(=O)CNC(C)(C)C)c1O	1319341216	LNKFHAVWDZSIAU-UHFFFAOYSA-N	266.341	1.405	10	20	CDCD	
Cc1nc(CCNCc2cc(F)cc(F)c2O)n[nH]1	708387990	FFTBQBNGUAJNIB-UHFFFAOYSA-N	268.267	1.429	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NCC1(N)CC1	1338745933	KLVGUDCHSMANDW-UHFFFAOYSA-N	290.411	1.775	10	20	CDCD	
CS(=O)(=O)CCCCNC(=O)Nc1ccc(N)cc1	692813306	WDWMRZGGVPIECJ-UHFFFAOYSA-N	285.369	1.215	10	20	CDCD	
CC(C)[C@H](CNC(=O)Cc1ccc(N)cc1)C(=O)O	87512958	UJDQXFKBMPOULY-LBPRGKRZSA-N	264.325	1.284	10	20	CDCD	
CN(C)c1ccc(CNC(=O)C[C@H]2CSCCN2)cc1	91138072	UJCNXLFPWYGHQC-ZDUSSCGKSA-N	293.436	1.464	10	20	CDCD	
COC[C@@H](CNCc1c(O)cccc1OC)OC	781414764	BRVXFQFYDIZUME-SNVBAGLBSA-N	255.314	1.152	10	20	CDCD	
CN(C)c1ccc([C@@H](N)CNC(=O)c2cccc(N)n2)cc1	1349092711	DWJGRBXOERHTLG-ZDUSSCGKSA-N	299.378	1.160	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)C2(O)Cc3ccccc3C2)c1	1261831519	IJZQMKKBPZELJP-UHFFFAOYSA-N	297.354	1.847	10	20	CDCD	
C[C@]1(C(=O)NCc2cccc(O)c2O)CC1(F)F	1347542944	UCLPAULDVCWUOG-LLVKDONJSA-N	257.236	1.759	10	20	CDCD	
CO[C@]1(C(=O)O)CCN(Cc2cc(F)c(F)cc2O)C1	1606705740	GHUOSYIUHWQJBR-CYBMUJFWSA-N	287.262	1.346	10	20	CDCD	
Cc1cc(O)c(CN2CCO[C@@H]([C@H](C)N)C2)cc1Cl	1579638503	ZTVMHHSFQFLUMJ-IINYFYTJSA-N	284.787	1.902	10	20	CDCD	
CC[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)C(=O)O	1589547068	WAVJWXLATXWTCY-QMMMGPOBSA-N	292.295	1.690	10	20	CDCD	
O=C(O)[C@]1(C(=O)NCc2ccc(O)cc2O)CC=CCC1	1594863991	ZJXYKLYDVJVJCA-OAHLLOKOSA-N	291.303	1.525	10	20	CDCD	
Oc1cccc(Cl)c1CN1CCN([C@H]2CCOC2)CC1	827120248	QQWAQNJKKWSDIJ-LBPRGKRZSA-N	296.798	1.952	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2cccc(=O)[nH]2)cc1	227876166	LMRKHPDVGVCSQJ-UHFFFAOYSA-N	271.320	1.371	10	20	CDCD	
O=S1(=O)CCC[C@@H]1CNCc1ccc2c(c1)CCO2	126767400	WQENBSBNMDDIOT-CYBMUJFWSA-N	281.377	1.288	10	20	CDCD	
CC(=O)NCCCN[C@H](C)c1ccc(F)cc1O	184921678	JELRVZSGETXVDQ-SECBINFHSA-N	254.305	1.708	10	20	CDCD	
O=C(NCc1ccc(O)nc1)c1cccc(O)c1O	185683765	WPXNCCOYWBIPQN-UHFFFAOYSA-N	260.249	1.128	10	20	CDCD	
COc1ccc(CN[C@@H]2CCS(=O)(=O)[C@@H]2C)cc1C	312019927	KTKYDNFVGZCUBR-DGCLKSJQSA-N	283.393	1.669	10	20	CDCD	
CCOc1cccc(CN2CC[C@@H]3NCC[C@@H]3C2)c1O	380709672	IBMJFCOEVGXBCD-OCCSQVGLSA-N	276.380	1.975	10	20	CDCD	
C[C@@H](NC(=O)C1(S(C)(=O)=O)CCC1)c1ccccc1O	827946653	NKGVMENUXZUPCX-SNVBAGLBSA-N	297.376	1.537	10	20	CDCD	
Cc1ccc(C(=O)OCC(=O)NC(C)C)c(O)c1O	60343461	IYAVAAPICDILDB-UHFFFAOYSA-N	267.281	1.088	10	20	CDCD	
COc1ccc(O)c([C@@H](C)N[C@@H]2CCN(C)C2)c1	42544475	XWLLTLJUKSCESQ-GHMZBOCLSA-N	250.342	1.756	10	20	CDCD	
Cn1nccc1NC(=O)/C=C/c1ccc(O)c(O)c1	181003208	JDONDFGBRQKQSR-HWKANZROSA-N	259.265	1.483	10	20	CDCD	
Nc1ccc(CNC(=O)c2cnn(-c3ccccc3)n2)cc1	319180156	KPTNQQZPQRBLJG-UHFFFAOYSA-N	293.330	1.780	10	20	CDCD	
CN(C)C(=O)CCCNCc1ccc2c(c1)CCCO2	921607542	ZVQSQJCZFJFFDM-UHFFFAOYSA-N	276.380	1.970	10	20	CDCD	
CCN(CC)C(=O)CCC(=O)Nc1ccc(N)cc1	237008594	BFSYGTOIKWZBTL-UHFFFAOYSA-N	263.341	1.856	10	20	CDCD	
CCCN(CC(=O)NC(=O)NC)Cc1ccccc1O	299627023	KNYWCNCJPOQLQL-UHFFFAOYSA-N	279.340	1.060	10	20	CDCD	
C[C@H](NC[C@H]1COCCN1)c1ccc(F)cc1O	530227846	WHMCPMUUIGQZGU-ONGXEEELSA-N	254.305	1.170	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@H](O)c2cccnc2)cc1	264883490	TXPHQCQROKAANA-OAHLLOKOSA-N	285.347	1.497	10	20	CDCD	
C[C@@H]1OCC[C@]12CN(Cc1ccccc1O)CCO2	279748067	YEWJWVWWIXNRNO-WFASDCNBSA-N	263.337	1.772	10	20	CDCD	
O=C1N[C@@H](c2cccc(Cl)c2O)N2CCSC[C@H]12	270853569	ZCVKKEBHKOHURL-MWLCHTKSSA-N	284.768	1.591	10	20	CDCD	
C[C@H](N[C@H](C)c1ncn(C)n1)c1cc([N+](=O)[O-])ccc1O	275647289	DDFOKBLTOCGMBX-DTWKUNHWSA-N	291.311	1.841	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)C[C@H]1COCCN1	285654448	IGVWJWHWIKXARJ-AWEZNQCLSA-N	292.379	1.509	10	20	CDCD	
COc1cccc(CNC(=O)CCC(C)=O)c1O	282283526	FAQPKEIKXHNXCU-UHFFFAOYSA-N	251.282	1.386	10	20	CDCD	
O=C(NCc1ccc(N2CCOCC2)cc1)[C@@H]1CC1(F)F	294365405	BVHKLZQBSMDVLG-ZDUSSCGKSA-N	296.317	1.795	10	20	CDCD	
CNCCN[C@@H](C)c1cc(C(=O)OC)ccc1O	817954474	ZIJKSIANZCKBBU-VIFPVBQESA-N	252.314	1.049	10	20	CDCD	
CCN(C)c1ccc(CN2CC(=O)N(CCOC)C2)cc1	815111990	JIBFOFURRSTFPU-UHFFFAOYSA-N	291.395	1.391	10	20	CDCD	
COc1ccc(CN[C@H](C(=O)O)c2ccnn2C)cc1C	819166003	JWIAQSBRUYPZOI-AWEZNQCLSA-N	289.335	1.653	10	20	CDCD	
C[C@@H](NC[C@H]1CNCCCO1)c1cc(F)cc(F)c1O	817981631	MDGLMWSXNSWLSE-MWLCHTKSSA-N	286.322	1.700	10	20	CDCD	
C[C@@H](NCC1(N)CCC1)c1cc([N+](=O)[O-])ccc1O	817964650	HDARHYOMCNUXMS-SECBINFHSA-N	265.313	1.832	10	20	CDCD	
COc1ccc(N(C)CC[S@@](C)=O)cc1OC	827490547	AYYUKFYHJVYORE-QGZVFWFLSA-N	257.355	1.519	10	20	CDCD	
CCN(CC)c1ccc(CN(C)C(=O)[C@@H](C)N)cc1	826020647	VQUCHHYJDOGOBC-GFCCVEGCSA-N	263.385	1.838	10	20	CDCD	
CC(C)[C@@](C)(O)CNC(=O)c1c(F)ccc(O)c1O	826121080	NIPFVWFWXBEROT-ZDUSSCGKSA-N	271.288	1.374	10	20	CDCD	
Cc1cc(O)c(CN2CC(=O)N[C@@H](C)C2)cc1Cl	826064618	MLZYDTTVAZIJQW-VIFPVBQESA-N	268.744	1.674	10	20	CDCD	
COCCN(CCC(=O)O)Cc1c(O)cccc1Cl	904269384	DNECPUVDANMFKG-UHFFFAOYSA-N	287.743	1.969	10	20	CDCD	
C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)c1cc(O)cs1	736710370	OUELCSHLJOURLV-HTQZYQBOSA-N	289.378	1.101	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)C1(C)CNC1	584353877	SOOKSYVUAMVTDI-UHFFFAOYSA-N	275.352	1.088	10	20	CDCD	
COCn1ccc(C(=O)N(C)Cc2ccccc2O)n1	830140923	KPRPIGZTHNVVDV-UHFFFAOYSA-N	275.308	1.465	10	20	CDCD	
COc1cc(O)c(CN2CC[C@](F)(C(=O)O)C2)cc1OC	833729098	PYBIAOYVHSVHIH-CQSZACIVSA-N	299.298	1.408	10	20	CDCD	
COc1cccc([C@H](C)NC[C@H](O)C(F)(F)F)c1O	846146305	RHRINUFMGALMMO-XVKPBYJWSA-N	279.258	1.975	10	20	CDCD	
CCN(CC)c1ccc(CN2CCC(O)(CN)CC2)cc1	841108232	REOAXVSHXIJUMO-UHFFFAOYSA-N	291.439	1.818	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)C2(N)CC2)c1	843490040	WAEUWMGGDXKMQS-QMMMGPOBSA-N	250.298	1.069	10	20	CDCD	
CCNC(=O)CN(C)Cc1c(O)ccc2ccncc12	747074462	RRSGXFGXSOSPNO-UHFFFAOYSA-N	273.336	1.508	10	20	CDCD	
CCOc1ccc(CN2CC[C@@H]([C@@H](C)N)C2)c(O)c1	843056917	BUEIKXLDMCAQSZ-VXGBXAGGSA-N	264.369	1.960	10	20	CDCD	
C[C@H](NC(=O)N1C[C@@H](N)[C@H](C)C1)c1ccc(N(C)C)cc1	841880855	IYEJIQUIZRXLRR-TYNCELHUSA-N	290.411	1.802	10	20	CDCD	
CN(C)c1ccc([C@H](N)CNC[C@H]2CCCOC2)cc1	841046239	YHWWJTOMGYWWJN-CZUORRHYSA-N	277.412	1.769	10	20	CDCD	
CN1CCN(c2ccc(CN[C@H](CN)C3CC3)cc2)CC1	841027704	FMDXOHQFHOSYQA-QGZVFWFLSA-N	288.439	1.265	10	20	CDCD	
COc1ccc(O)c(CNCc2cnc(N(C)C)n2C)c1	840898756	RKPRDHVFPYMTKQ-UHFFFAOYSA-N	290.367	1.490	10	20	CDCD	
CCN(C)C(=O)NC[C@H](N)c1ccc(N(C)C)cc1	842786030	SIAXLQLVUKXWBV-ZDUSSCGKSA-N	264.373	1.414	10	20	CDCD	
Cn1cc(CCc2nc(Cc3ccc(N)cc3)no2)cn1	843158382	CGHSMPZITCBPOM-UHFFFAOYSA-N	283.335	1.761	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)[C@@H]2[C@H]3CNC[C@H]32)cc1	844172628	FLSZIOGSFPWJQP-ZSHCYNCHSA-N	287.407	1.614	10	20	CDCD	
CCc1cccc(CNC[C@@H](CO)[C@@H]2CCOC2)c1O	848907589	FYQDRVDFGFKEGJ-CABCVRRESA-N	279.380	1.689	10	20	CDCD	
COC(=O)N1CC(N[C@H](C)c2cc(F)cc(F)c2O)C1	756760048	NNUVOFPCRPCLBT-SSDOTTSWSA-N	286.278	1.772	10	20	CDCD	
Cc1cc(CNCc2ccc(N3CCOCC3)cc2)ncn1	756989161	BIJSDMDUETVNCL-UHFFFAOYSA-N	298.390	1.911	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2ccc3nnnn3c2)cc1	757622976	IRJOTMFNOHESHI-UHFFFAOYSA-N	296.334	1.120	10	20	CDCD	
CCOc1ccc(CN2CCCC[C@@H]2C(N)=O)c(O)c1	768179982	QVZDXEHBQPAQLJ-CYBMUJFWSA-N	278.352	1.631	10	20	CDCD	
Cc1ccc(CN(C)[C@H](C)CS(C)(=O)=O)c(O)c1	876734500	UZJRMNAKNJGANU-LLVKDONJSA-N	271.382	1.566	10	20	CDCD	
COc1cccc(O)c1CN1CCC(CCC(N)=O)CC1	769469254	WLBWPOKQZLLVKA-UHFFFAOYSA-N	292.379	1.878	10	20	CDCD	
CO[C@@]1(CNCc2c(C)cccc2O)CCOC1	877371522	IYLGMQILJGKWKS-CQSZACIVSA-N	251.326	1.596	10	20	CDCD	
CCCN(CC(=O)OC)C(=O)c1cc(O)cs1	768478020	GECKIFMQXATTGR-UHFFFAOYSA-N	257.311	1.479	10	20	CDCD	
C[C@H](O)C[C@@H](C)NCc1ccc(N2CCC(O)CC2)cc1	877196028	RLCCNOMIZTWBGD-KGLIPLIRSA-N	292.423	1.897	10	20	CDCD	
Cc1cccc(O)c1CNC[C@H](C)CN1CCN(C)CC1	877017967	YFEHPBADGBIGSJ-AWEZNQCLSA-N	291.439	1.674	10	20	CDCD	
COc1cccc(O)c1CNCc1ccnc(N(C)C)n1	776497721	XSYQPBOKRVGLKL-UHFFFAOYSA-N	288.351	1.547	10	20	CDCD	
CC[C@@H]1COCCN1CCNC(=O)c1cc(O)cs1	874708922	SPFFIIKKQBLBBQ-SNVBAGLBSA-N	284.381	1.294	10	20	CDCD	
CN1CCCc2cc(CN[C@@H]3CCCNC(=O)C3)ccc21	876986350	BOVACTDGIKRLRA-OAHLLOKOSA-N	287.407	1.827	10	20	CDCD	
C[C@H](O)[C@H](C)NCc1ccc(N2CCC(CO)CC2)cc1	1118179610	ZUVCAPYXLDHDGM-KBPBESRZSA-N	292.423	1.754	10	20	CDCD	
Cc1ccc(CN2CC[C@@H](OC(=O)N(C)C)C2)c(O)c1	877558631	KUECAFSFJORMSQ-CYBMUJFWSA-N	278.352	1.973	10	20	CDCD	
COC(=O)C[C@@H]1CCCN1C(=O)c1cc(O)cs1	772574476	CIVMUYLXWIGNNH-QMMMGPOBSA-N	269.322	1.621	10	20	CDCD	
COc1ccc(O)c(CN[C@@H](C)C[C@@H]2CCCC(=O)N2)c1	877037298	ZQEJEXICOGAAOO-AAEUAGOBSA-N	292.379	1.938	10	20	CDCD	
Cc1ccc(CN2CCN(CC[S@](C)=O)CC2)c(O)c1	876763900	QTTZHGVUDPVWLA-FQEVSTJZSA-N	296.436	1.197	10	20	CDCD	
CN1CCN(c2ccc(CN3CCC[C@H]3CO)cc2)CC1	775661378	MXRZDBASFGPJQC-KRWDZBQOSA-N	289.423	1.395	10	20	CDCD	
CCOc1ccc(O)c(CN2C[C@@H](O)C[C@@H]2C)c1	788269432	NRFLFQBXIVWNQJ-JQWIXIFHSA-N	251.326	1.746	10	20	CDCD	
Nc1ccc(CC(=O)NC2CC3(CC(N)C3)C2)cc1	1122522366	NXEKXRPBSKFROG-UHFFFAOYSA-N	259.353	1.197	10	20	CDCD	
CCN(C)c1ccc([C@H](C)NCCN2CCNC2=O)cc1	886742681	HFGSGDMJZWWOOC-ZDUSSCGKSA-N	290.411	1.819	10	20	CDCD	
CCOC(=O)c1cn(Cc2ccc(N(C)C)cc2)nn1	881271056	FXSWNNBKRUCBGH-UHFFFAOYSA-N	274.324	1.569	10	20	CDCD	
Cc1ccc(C(=O)Nc2n[nH]c(C)c2C)c(O)c1O	780929265	WRQDHFBMYUGASU-UHFFFAOYSA-N	261.281	1.998	10	20	CDCD	
CC[C@@]1(C)CN(Cc2cc3c(cc2O)OC[C@@H]3O)CCO1	785513129	CYWJMEBRRZYZJP-HOCLYGCPSA-N	293.363	1.819	10	20	CDCD	
CC(C)(C)C(=O)NCCNCc1cc(F)cc(F)c1O	882985822	RHXREZYWRIEMBG-UHFFFAOYSA-N	286.322	1.922	10	20	CDCD	
CN1C[C@@H](NCc2c(O)ccc(Cl)c2F)CC1=O	790954953	HCXNCNNMVIFMNY-ZETCQYMHSA-N	272.707	1.505	10	20	CDCD	
COc1ccc(CNC(=O)c2cncnc2)c(O)c1	794377463	IUJQXGIPTURPPR-UHFFFAOYSA-N	259.265	1.121	10	20	CDCD	
CCC1(C(=O)NCc2ccc(OC)cc2O)COC1	794373861	NJRPASGWEGSCDR-UHFFFAOYSA-N	265.309	1.444	10	20	CDCD	
CCN(CC)c1ccc(CN[C@@H](C(=O)O)[C@@H](C)O)cc1	75423923	AAYLZRNFNFXTEJ-BXUZGUMPSA-N	280.368	1.456	10	20	CDCD	
COc1ccc(O)c([C@H](C)N[C@H](C)c2ncnn2C)c1	276525546	CEDRWAYUWNGIRO-VHSXEESVSA-N	276.340	1.941	10	20	CDCD	
CC[C@@H]1C[C@H]1NC(=O)C(=O)N(C)Cc1ccccc1O	1326160493	ZYDWZEMWQLYJNQ-ZYHUDNBSSA-N	276.336	1.265	10	20	CDCD	
COC(=O)[C@@H](C)NCc1c(O)cccc1Br	706863887	XKCXQJGUMGNSKQ-SSDOTTSWSA-N	288.141	1.806	10	20	CDCD	
CO[C@@H]1CC[C@@H](NC(=O)c2c(F)ccc(O)c2O)C1	1326504452	PAATYBRMAVTAPO-HTQZYQBOSA-N	269.272	1.534	10	20	CDCD	
CCc1nnsc1C(=O)NCCc1ccc(N)cc1	87443930	ZEFBRXBARVWJGO-UHFFFAOYSA-N	276.365	1.655	10	20	CDCD	
C[C@H]1NCC[C@H]1C(=O)NCc1ccc(N(C)C)cc1	92955701	TZCLZKNGTREQPG-BXUZGUMPSA-N	261.369	1.367	10	20	CDCD	
Nc1ccc(CNC(=O)N2CC[C@@H]3OCC[C@@H]3C2)cc1	1337069752	AGQIVJNGWFZJHY-OCCSQVGLSA-N	275.352	1.589	10	20	CDCD	
CN(CCS(N)(=O)=O)Cc1ccc(N2CCCC2)cc1	1333009069	LUAKERMMIAUHQD-UHFFFAOYSA-N	297.424	1.007	10	20	CDCD	
Cc1c([C@H](C)NC(=O)NCc2ccc(N)cc2)cnn1C	1262562462	BHFPVYZAATVESM-JTQLQIEISA-N	287.367	1.871	10	20	CDCD	
Nc1ccc(CNC(=O)NOCCC(F)(F)F)cc1	1346647745	JMSXSNJXFQEJFK-UHFFFAOYSA-N	277.246	1.952	10	20	CDCD	
CCn1c(-c2sccc2O)nnc1N1CCOCC1	1356278153	OJSXUBAGQBZGNU-UHFFFAOYSA-N	280.353	1.569	10	20	CDCD	
O=C(NCc1cccc(O)c1O)[C@H]1CC12CCOCC2	1528771124	KRZHWPMPENCOHR-LLVKDONJSA-N	277.320	1.531	10	20	CDCD	
CC1(O)CN(c2ccc(/C=C\C(=O)O)cc2[N+](=O)[O-])C1	1604595400	MSXWNXQJCIDJKA-HYXAFXHYSA-N	278.264	1.264	10	20	CDCD	
C[C@@H](NCc1cncn1C)c1cccc(-c2nn[nH]n2)c1O	1603670349	FICYKYLEEBQKBW-SECBINFHSA-N	299.338	1.157	10	20	CDCD	
CCC(CC)(C(=O)O)C(=O)NCc1cc(OC)ccc1O	1603522774	XSLQRMFSEOYPCT-UHFFFAOYSA-N	295.335	1.908	10	20	CDCD	
O=C(O)[C@@H]1COCCN1Cc1cc(Cl)cc(F)c1O	1610746770	KAWVGSUWAJGILZ-JTQLQIEISA-N	289.690	1.470	10	20	CDCD	
COc1ccc(CNCCC2CCNCC2)c(O)c1OC	1579216325	OIQKJJWVOJCKML-UHFFFAOYSA-N	294.395	1.889	10	20	CDCD	
COc1cc(C)c(CN2CC[C@@H](F)[C@H](N)C2)c(O)c1	1579145349	YNRLTPSIHKADSM-CHWSQXEVSA-N	268.332	1.580	10	20	CDCD	
CCN1CCc2cc(CN[C@@](C)(COC)C(=O)O)ccc21	1776884625	ANUHDTCGBGMMBN-INIZCTEOSA-N	292.379	1.648	10	20	CDCD	
CN(C)c1ccc(CN2[C@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)cc1	1777039398	URUMGFNVBISYPF-AEGPPILISA-N	272.348	1.966	10	20	CDCD	
CCN(C)c1ccc(CN2C[C@@H](O)[C@H](CC(=O)O)C2)cc1	1776856084	KDXLNXQHLIQDOH-UKRRQHHQSA-N	292.379	1.410	10	20	CDCD	
C[C@H](C[S@@](C)=O)NCc1cc(Cl)ccc1O	164287493	FSSFKQVUYKKDNM-BCTVWOGZSA-N	261.774	1.902	10	20	CDCD	
OCC1(CN[C@H]2CCc3cccc(O)c32)CCOCC1	296973735	RRZHQMNPEWDRKR-ZDUSSCGKSA-N	277.364	1.758	10	20	CDCD	
C[C@H](NC(=O)c1cccc(O)c1O)c1cnn(C)c1	311984449	MNLVTLWJDIQQPG-QMMMGPOBSA-N	261.281	1.322	10	20	CDCD	
Cc1ccc([C@H](C)NC[C@H](O)CN(C)C)c(O)c1	717355857	XALNTWXVPWQRDB-RYUDHWBXSA-N	252.358	1.274	10	20	CDCD	
Cc1ccc(C(=O)NC[C@H](C)CN2CCCC2)c(O)c1O	177673569	FZIGQDDAFATRLJ-NSHDSACASA-N	292.379	1.868	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CCCN1C	115489525	BPOXTQOBTNFGKA-HNNXBMFYSA-N	275.396	1.771	10	20	CDCD	
CCCOc1ccc(CN2CCNC(=O)[C@@H]2C)c(O)c1	123497913	AXJUFHKTXOEPJK-NSHDSACASA-N	278.352	1.501	10	20	CDCD	
O=C(O)C[C@H]1COCCN1Cc1ccccc1O	128730834	DUOXBSXUJSFUCM-NSHDSACASA-N	251.282	1.068	10	20	CDCD	
COc1cccc(CN2CC[C@@H](N)C[C@@H]2C)c1O	131530104	IPHRYQWKUFXVGB-CMPLNLGQSA-N	250.342	1.712	10	20	CDCD	
CCCOc1ccc(CN(CCO)CCOC)c(O)c1	93006037	ACAIOGCTRKKGPQ-UHFFFAOYSA-N	283.368	1.622	10	20	CDCD	
COc1ccc(O)c(CN2CCS(=O)(=O)[C@H](C)[C@@H]2C)c1	180350932	VITCLJGCCWMKCI-WDEREUQCSA-N	299.392	1.408	10	20	CDCD	
C[C@H]1CCCCN1CCNC(=O)Cc1ccc(N)cc1	237509547	JILCEFFORSYIRB-ZDUSSCGKSA-N	275.396	1.802	10	20	CDCD	
CC1(C)CN(C(=O)/C=C/c2ccc(O)c(O)c2)C[C@H]1O	279121989	AHJXWWZDMHCFGY-DIECRNLCSA-N	277.320	1.340	10	20	CDCD	
Cc1nc2n(n1)CCN(Cc1cccc(C)c1O)C2	376832100	MCHPWIIRTWAWOW-UHFFFAOYSA-N	258.325	1.616	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNC[C@@H](O)C2CC2)c1O	289455281	NQUXYYWMOJMROS-LLVKDONJSA-N	282.296	1.170	10	20	CDCD	
Cc1ccc(O)c([C@H](C)NC[C@H](CO)[C@@H]2CCOC2)c1	280893291	PGKXLPRXMPMOJI-BFHYXJOUSA-N	279.380	1.996	10	20	CDCD	
CC[C@H](N[C@@H](CCO)COC)c1ccc(F)cc1O	286089457	MQKZYRUPTPFZMC-AAEUAGOBSA-N	271.332	1.969	10	20	CDCD	
C[S@@](=O)C1(CNCc2cc([N+](=O)[O-])ccc2O)CC1	282298069	JMYWOCRHVLSBGQ-LJQANCHMSA-N	284.337	1.301	10	20	CDCD	
Cc1cc(CN(C)CC(=O)NC2CC2)ccc1N(C)C	293437098	JQSSDZWAEPMBQG-UHFFFAOYSA-N	275.396	1.771	10	20	CDCD	
CNC(=O)[C@H](C)N[C@@H](C)c1cc([N+](=O)[O-])ccc1O	291925306	ODXYRILQXOOSQW-YUMQZZPRSA-N	267.285	1.086	10	20	CDCD	
CN(Cc1cc(F)ccc1O)C[C@@H](O)C(F)(F)F	809751288	PPHXHILAIIMNAC-SNVBAGLBSA-N	267.222	1.886	10	20	CDCD	
C[C@@H](CC(N)=O)NCc1ccc2ccccc2c1O	816557475	RAXCWTHOEHZDBU-JTQLQIEISA-N	258.321	1.899	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CCOC[C@H]2C(=O)O)c1O	823666628	NTQZBYVPAHSUCH-LBPRGKRZSA-N	297.282	1.019	10	20	CDCD	
CC[C@@H](C(=O)N[C@H](C)c1ccccc1O)N1CCCC1=O	827937137	LWLOOFDLYQAFAB-YPMHNXCESA-N	290.363	1.970	10	20	CDCD	
NC(=O)c1cccc(NC(=O)/C=C\c2ccc(O)c(O)c2)c1	588403596	MSPLMAGSSFXLNY-ALCCZGGFSA-N	298.298	1.849	10	20	CDCD	
COc1ncc(C(=O)N(C)Cc2ccccc2O)cn1	734015900	ZBJDXXRCBFDVBF-UHFFFAOYSA-N	273.292	1.463	10	20	CDCD	
Nc1ccc(NC(=O)C(=O)NC[C@@H]2C[C@H]3CC[C@H]2C3)cc1	841027791	WTKIPUDSBVFDJE-SRVKXCTJSA-N	287.363	1.760	10	20	CDCD	
COc1cc(O)c(CN2CC[C@@H]([C@H](C)N)C2)cc1OC	843057191	GMMRDZCNQKGAGY-WDEREUQCSA-N	280.368	1.579	10	20	CDCD	
CCO[C@H]1C[C@@H]1C(=O)NCc1ccc(O)cc1O	910952488	VRIDRTBQGYFMRX-JQWIXIFHSA-N	251.282	1.139	10	20	CDCD	
Nc1ccc(NC(=O)C(=O)N2C[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2)cc1	841137569	WEOUCOGESQWMOS-LWWSYDQCSA-N	299.374	1.712	10	20	CDCD	
CN(C)CCn1ccc(C(=O)NCc2ccccc2O)n1	847589575	KNBUTCQWPCCEAG-UHFFFAOYSA-N	288.351	1.080	10	20	CDCD	
Cc1cccc(CNC[C@H]2CC(=O)N(C3CC3)C2)c1O	846073368	UHASOGAVYCODGT-GFCCVEGCSA-N	274.364	1.801	10	20	CDCD	
Cn1ccnc1[C@H]1CNCCN1Cc1cccc(F)c1O	843121702	HRUQIQUYMZOLKO-CYBMUJFWSA-N	290.342	1.411	10	20	CDCD	
O=CN1CCC[C@@H]1C(=O)NCc1cc(Cl)ccc1O	855022646	DYLMWOBPYPJCLI-LLVKDONJSA-N	282.727	1.283	10	20	CDCD	
Cc1ccc(O)c([C@@H](C)NCCN2CC[C@H](O)C2)c1	858602396	YGOPQKISAWKLLZ-OLZOCXBDSA-N	264.369	1.418	10	20	CDCD	
COC(=O)C[C@@]1(NCc2cccc(C)c2O)CCOC1	768531944	BZUWIVYTUGGCAD-HNNXBMFYSA-N	279.336	1.512	10	20	CDCD	
C[C@@H](NC(=O)NOC1CCOCC1)c1ccccc1O	868513084	JUIHNVMOSINIDZ-SNVBAGLBSA-N	280.324	1.863	10	20	CDCD	
CCO[C@H]1COCC[C@@H]1NC(=O)c1cc(O)cs1	760448896	OWKXINMEDFWBFG-UWVGGRQHSA-N	271.338	1.378	10	20	CDCD	
Nc1ccc(Cc2noc([C@H]3CCCS3(=O)=O)n2)cc1	1118327080	XWEMPZUIKGATOQ-LLVKDONJSA-N	293.348	1.492	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCSC1	773750415	GMGFWNLXONMSKJ-MWLCHTKSSA-N	281.377	1.898	10	20	CDCD	
C[C@H](Cn1cccn1)NC(=O)/C=C\c1ccc(O)c(O)c1	779478456	HCQPDWXWJLCCNY-VLWUPBBWSA-N	287.319	1.512	10	20	CDCD	
O=C1CC[C@@H]2CN(Cc3cc(Cl)cc(F)c3O)CCN12	775667533	KMZDUYRSKQVKNT-LLVKDONJSA-N	298.745	1.991	10	20	CDCD	
CN(C)c1ccc(CN2CCSC[C@@H]2CO)cc1	785760920	ORFDSLSTJJJTGJ-AWEZNQCLSA-N	266.410	1.662	10	20	CDCD	
C[C@@H](O)CCCNCc1ccc(N2CCOCC2)c(F)c1	788523999	JWDHXEPGVJPKAJ-CYBMUJFWSA-N	296.386	1.913	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NCC[C@@H](O)C2CC2)cc1	891607924	URVAEFXHRFELBX-OAHLLOKOSA-N	291.395	1.713	10	20	CDCD	
CCOCc1cc(CNCC(=O)N(C)OC)ccc1OC	895040789	JEDFURYROAYHGU-UHFFFAOYSA-N	296.367	1.341	10	20	CDCD	
COc1ccc(CNC(=O)c2cnc(Cl)cn2)c(O)c1	796348955	YEEDGSTVDMJOLU-UHFFFAOYSA-N	293.710	1.774	10	20	CDCD	
Cn1cc([N+](=O)[O-])cc1C(=O)NCc1ccccc1O	133936114	UPGCWBXYODIPAD-UHFFFAOYSA-N	275.264	1.569	10	20	CDCD	
Cc1cccc(O)c1CNCCS(=O)(=O)N1CCCC1	897830306	RHVAHJHEQZHYNA-UHFFFAOYSA-N	298.408	1.216	10	20	CDCD	
CN(CCNS(C)(=O)=O)Cc1cccc(Cl)c1O	1319935800	YDXRETNYHPQMAA-UHFFFAOYSA-N	292.788	1.027	10	20	CDCD	
CC[C@H](C)[C@@H](O)CNC(=O)c1cccc(O)c1O	185855240	LHPIZKHRAALBJK-KWQFWETISA-N	253.298	1.235	10	20	CDCD	
Cc1ccc(O)c(CNS(=O)(=O)N2CC[C@H](C)C2)c1	1329238079	DCXBBJUAUWFDPT-NSHDSACASA-N	284.381	1.377	10	20	CDCD	
CO[C@H]1CCCN(C(=O)c2cccc(O)c2O)C1	187217999	MSZVQDOURUVULK-VIFPVBQESA-N	251.282	1.349	10	20	CDCD	
CCN(Cc1ccc(N2CCCC2)cc1)[C@H]1CCNC1=O	1327031280	KLWCCPMADGKWPV-INIZCTEOSA-N	287.407	1.997	10	20	CDCD	
Nc1ccc(CC(=O)NC[C@@H]2C=C[C@H]3C[C@@H]2CO3)cc1	1342579790	ZLGQEOOYJPCCIP-GUTXKFCHSA-N	272.348	1.519	10	20	CDCD	
Cc1cc(O)c(CN2CCCNC[C@@H]2C(=O)O)cc1C	1600286069	JVNDUYKFNJIAJX-CYBMUJFWSA-N	278.352	1.258	10	20	CDCD	
CC[C@@](C)(CC(=O)O)NC(=O)c1cccc(O)c1O	1604902015	NWHAASDTLMHYCO-ZDUSSCGKSA-N	267.281	1.471	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2cc(C(=O)O)co2)cc1	1606056078	XFLYGLCVUYCBKC-UHFFFAOYSA-N	288.303	1.974	10	20	CDCD	
COc1ccc(N(C)CCCS(=O)(=O)N(C)C)cc1	844353328	NFFVZKPSJNQYQY-UHFFFAOYSA-N	286.397	1.413	10	20	CDCD	
CCS(=O)(=O)CCCNCc1ccc2c(c1)CCO2	840973061	DBDWORCZXFETKC-UHFFFAOYSA-N	283.393	1.536	10	20	CDCD	
COc1cccc(O)c1CN1CC[C@@H](C(=O)O)[C@@H]1C	1599680291	KAGDXFIIROBCDT-VHSXEESVSA-N	265.309	1.696	10	20	CDCD	
CS[C@@H](CO)[C@H](C)NCc1cc(F)ccc1O	226610487	ONUAIZSMICXJPS-UFBFGSQYSA-N	259.346	1.733	10	20	CDCD	
CNC(=O)[C@]1(C)CCN(Cc2cc(C)ccc2O)C1	228098993	YXEUFMLOJFAUDX-OAHLLOKOSA-N	262.353	1.659	10	20	CDCD	
COc1cc(Cl)cc(CN2CCn3cnnc3C2)c1O	228663040	CELGESIRCDFHLK-UHFFFAOYSA-N	294.742	1.662	10	20	CDCD	
CCCNC(=O)CN[C@@H](C)c1cc(OC)ccc1O	36780923	ZCZVYHYHEPBTRG-JTQLQIEISA-N	266.341	1.578	10	20	CDCD	
NC(=O)C[C@@H]1CCN(Cc2cccc(Cl)c2O)C1	368133711	KCGUTHSHYMNIAM-VIFPVBQESA-N	268.744	1.743	10	20	CDCD	
C[C@@H](C[S@@](C)=O)N(C)Cc1cc(F)cc(F)c1O	708422247	LACSQRXJUBJOQT-DCXZOGHSSA-N	277.336	1.869	10	20	CDCD	
CO[C@@H]1CCOC[C@H]1NCc1cc(F)ccc1O	724870168	RJIIHQOYCMSUPX-DGCLKSJQSA-N	255.289	1.425	10	20	CDCD	
CN(C)c1ccc(CNS(=O)(=O)C2CC2)cc1F	173078884	YHCLUCBKSTXJPY-UHFFFAOYSA-N	272.345	1.474	10	20	CDCD	
c1cc2c(cc1CNCCO[C@H]1CCOC1)CCO2	922938662	HTXYEWPPOXMZBK-AWEZNQCLSA-N	263.337	1.517	10	20	CDCD	
CN(CC(=O)NCC1CC1)c1ccc2c(c1)OCO2	121248083	ULINGTWICVCTKY-UHFFFAOYSA-N	262.309	1.378	10	20	CDCD	
C[C@H](CNC(=O)c1cccc(O)c1O)Cn1cccn1	186951735	ZHAWLIOVHLGYIT-SNVBAGLBSA-N	275.308	1.360	10	20	CDCD	
C[C@H](C(=O)N(C)C)N1CCOc2cc(N(C)C)ccc21	130429171	OXFJUDCVXZPDDN-LLVKDONJSA-N	277.368	1.428	10	20	CDCD	
COc1ccc(N(C)C[C@@H](O)CSC)cc1F	187940376	KMKSCFYIDNZZQZ-SNVBAGLBSA-N	259.346	1.994	10	20	CDCD	
COc1ccc(O)c(CN2CCC[C@H](OCCO)C2)c1	180175425	JBMABYLLMNHQKF-AWEZNQCLSA-N	281.352	1.374	10	20	CDCD	
Cc1cc(C(=O)N[C@H](C)C(=O)O)c(C)n1-c1ccccn1	237326377	ADVLFMRCZDTXQG-SNVBAGLBSA-N	287.319	1.692	10	20	CDCD	
CCC(=O)N1CSC[C@H]1C(=O)Nc1ccc(N)cc1	236766023	RXIZVJPWEYBNIY-NSHDSACASA-N	279.365	1.519	10	20	CDCD	
COC[C@@H](CO)NCc1cc(Cl)cc(Cl)c1O	234867145	ZAJGUJCDLNUTOH-SECBINFHSA-N	280.151	1.796	10	20	CDCD	
COc1cc(Cl)cc(CNC[C@H]2COCCN2)c1O	530182323	TYOBMVIXYVZPHY-NSHDSACASA-N	286.759	1.132	10	20	CDCD	
NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1Cc1ccccc1O	368975404	RAYGUIVNLZQVMN-JKOKRWQUSA-N	260.337	1.478	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2CCO[C@@H](C)[C@@H]2C)c1O	278332722	ZMSCFTYSRAHOOR-UWVGGRQHSA-N	296.323	1.918	10	20	CDCD	
COC(=O)[C@@H](NCc1ccc(N(C)C)c(F)c1)C1CC1	276472003	MYEGPARVIFEQEW-AWEZNQCLSA-N	280.343	1.933	10	20	CDCD	
Cc1ccc(C(=O)N2CCC[C@H](O)CC2)c(O)c1O	294971734	SXNYXLHJKGVAIG-JTQLQIEISA-N	265.309	1.393	10	20	CDCD	
CN(C)C(=O)O[C@@H]1CCN(C(=O)c2cccc(O)c2O)C1	295510236	PVPMKMAQIYFEAE-SECBINFHSA-N	294.307	1.011	10	20	CDCD	
CO[C@@H]1CCOC[C@H]1N[C@H]1CCc2cccc(O)c21	724872518	MKAJCEIFAKRLHJ-OUCADQQQSA-N	263.337	1.773	10	20	CDCD	
CCOC(=O)/C(=C/c1cn(C)cn1)c1nccn1C	800794175	XUHKQUABABHKIJ-YRNVUSSQSA-N	260.297	1.257	10	20	CDCD	
CCOC(=O)CN(Cc1ccccc1O)C(=O)C(C)C	819693956	XCDQALINBNDUEA-UHFFFAOYSA-N	279.336	1.940	10	20	CDCD	
COc1ccc(CNC(=O)c2cccc(CO)c2)c(O)c1	813554656	QUHXQJGDHBATII-UHFFFAOYSA-N	287.315	1.823	10	20	CDCD	
C[C@@H](NCCN)c1cc(Br)ccc1O	817934082	BQNVRGXXZODQPY-SSDOTTSWSA-N	259.147	1.764	10	20	CDCD	
CC(=O)NCCN(Cc1cccc(C)c1O)[C@@H](C)C(=O)O	819781840	XXENKXXYRMXKTE-NSHDSACASA-N	294.351	1.112	10	20	CDCD	
COc1cc(O)c(CN2CCC[C@H](O)CC2)cc1OC	816667390	LZHMVYDAIPVIEV-LBPRGKRZSA-N	281.352	1.756	10	20	CDCD	
O=C(c1c(F)ccc(O)c1O)N1CCC[C@@H](CCO)C1	827378373	PAJDXZRKVYTFGU-VIFPVBQESA-N	283.299	1.472	10	20	CDCD	
CN(C)c1ccc(OCC(=O)N=[S@](C)(=O)N(C)C)cc1	905093169	ZJECXBQCGZOYMP-FQEVSTJZSA-N	299.396	1.232	10	20	CDCD	
CN(C)c1ccc([C@H](CNCC[N+](=O)[O-])N(C)C)cc1	905706453	VCJMPJGXAHOINC-AWEZNQCLSA-N	280.372	1.222	10	20	CDCD	
C[C@H](NC(=O)c1cc(O)cs1)c1nnc2ccccn12	732262910	IOXZZCNLNMMZFY-QMMMGPOBSA-N	288.332	1.987	10	20	CDCD	
CN1[C@H]2CC[C@H]1CC(NC(=O)c1cc(O)cs1)C2	839785167	MIKKJNOQERXRLD-UWVGGRQHSA-N	266.366	1.809	10	20	CDCD	
COc1cccc([C@H](C)NC[C@@H]2CCN2C)c1O	903316047	MFMMSGLJHRTKIM-QWRGUYRKSA-N	250.342	1.756	10	20	CDCD	
CC(C)O[C@H]1C[C@@H](NC(=O)c2c(F)ccc(O)c2O)C1	839799293	MCTUDYCLQAZHPB-DTORHVGOSA-N	283.299	1.923	10	20	CDCD	
CO[C@H](C1CC1)[C@@H](C)NC(=O)c1ccc(C)c(O)c1O	837014609	QEJHWMCCICHKPE-OTYXRUKQSA-N	279.336	1.950	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCO[C@H]1C(F)(F)F	912081425	QBAOOMCBMJJAJU-QMMMGPOBSA-N	267.228	1.815	10	20	CDCD	
CCc1cccc(CN2CCS(=O)(=O)CC2(C)C)c1O	848911063	RQSZVODINFQEGT-UHFFFAOYSA-N	297.420	1.964	10	20	CDCD	
C[C@H](CN)NC(=O)N[C@H](C)c1ccc(N(C)C)cc1	841881645	UCASCIIOKIVGPI-GHMZBOCLSA-N	264.373	1.460	10	20	CDCD	
O=C(NCCCN1CCCC1)c1c(F)ccc(O)c1O	842224967	RRWPHUWGNZWWIS-UHFFFAOYSA-N	282.315	1.453	10	20	CDCD	
O=C(NCc1c(O)ccc2c1CCCC2)c1ncccn1	743719654	NHSUQKPECOXJLH-UHFFFAOYSA-N	283.331	1.991	10	20	CDCD	
COc1ccc(N(C)CCN(C)Cc2cn[nH]c2)cc1	846051531	FHDAFLMCZLFQOD-UHFFFAOYSA-N	274.368	1.987	10	20	CDCD	
Oc1cc2c(cc1CNC[C@H]1CCCNC1)OCO2	841032945	KMGLXFZRDCIAGZ-JTQLQIEISA-N	264.325	1.210	10	20	CDCD	
COc1cccc([C@H](C)N[C@H]2COC[C@H]2OC)c1O	846167811	DZPXBTPJLHDGOO-XHVZSJERSA-N	267.325	1.465	10	20	CDCD	
CCCN1CC(=O)N[C@@H]1c1ccc([N+](=O)[O-])c(OC)c1O	840824112	HMTXUFLHDYLMRU-ZDUSSCGKSA-N	295.295	1.149	10	20	CDCD	
COc1ccc(O)c(CN[C@H](C)CC[S@](C)=O)c1	164758114	IRVGVIAJQGLVQS-MLCYQJTMSA-N	271.382	1.648	10	20	CDCD	
CN(C)c1ccc(CNC[C@@H]2CNCCCO2)cc1	841085408	BHZJWGDGXOHNDR-HNNXBMFYSA-N	263.385	1.221	10	20	CDCD	
CNCCNCc1cc(C)cc(Br)c1O	841034895	GPEHRUMKGVXVEG-UHFFFAOYSA-N	273.174	1.772	10	20	CDCD	
CC(C)[C@H](CNCc1cc(F)ccc1O)C(=O)O	848640408	RFQFVAWRMNOMFZ-NSHDSACASA-N	255.289	1.978	10	20	CDCD	
COC(=O)[C@H]1C[C@@H](C)CCN1C(=O)c1cccc(O)c1O	857328988	ALADIDAUSQGCKM-GXSJLCMTSA-N	293.319	1.512	10	20	CDCD	
Cc1nnc(CC(=O)NCc2ccc(N(C)C)cc2)s1	854272136	ZPNOPLBJZOTGMU-UHFFFAOYSA-N	290.392	1.771	10	20	CDCD	
Cc1ccc(C(=O)OCC(=O)OC(C)(C)C)c(O)c1O	750618322	FGGUOIBECCTNGC-UHFFFAOYSA-N	282.292	1.905	10	20	CDCD	
CCn1nccc1CNC(=O)c1cc(O)cs1	856481545	XAHVBPKBWCDTLA-UHFFFAOYSA-N	251.311	1.600	10	20	CDCD	
CC[C@H](C)NC(=O)COC(=O)/C=C\c1ccc(O)c(O)c1	759578257	GCCXILAVLDROSL-BXKUYDPTSA-N	293.319	1.569	10	20	CDCD	
C[C@H](OC(=O)c1cccc(O)c1O)c1nnnn1C1CC1	758582451	SNYQWPDWSYXLHE-ZETCQYMHSA-N	290.279	1.337	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@@H](C)C[C@H](C)O)c1	757659045	XJTZLKSJLAHCLL-DCAQKATOSA-N	281.352	1.989	10	20	CDCD	
CC(=O)N1CCC[C@@H](C(=O)NCc2cc(C)ccc2O)C1	862760656	UEXLQVCFJOOUEU-CYBMUJFWSA-N	290.363	1.575	10	20	CDCD	
Cc1ccc(CN[C@@H](C)CN2CCCC2=O)c(O)c1	876949881	BQOLXKCZQTXPJQ-LBPRGKRZSA-N	262.353	1.801	10	20	CDCD	
CC1(C)OC[C@H](CNC(=O)c2cc(O)cs2)O1	769218420	VPZXAPUNFONYIP-QMMMGPOBSA-N	257.311	1.335	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)c1ccnc(C2CC2)n1	778919913	PKWRZTRVHQXUOB-UHFFFAOYSA-N	285.303	1.695	10	20	CDCD	
CCNC(=O)N1CC[C@H](N[C@H](C)c2c(O)cccc2F)C1	886551809	OYCNFBQMYGHZNO-MNOVXSKESA-N	295.358	1.986	10	20	CDCD	
Nc1ccc(CNC(=O)N2CC[C@@H](N3CCCC3)C2)cc1	1120591997	OHANBWMDENTUOM-OAHLLOKOSA-N	288.395	1.649	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)[C@@H]1[C@H]2CCCO[C@H]21	780983787	GHNRQZONYANPOL-OASPWFOLSA-N	263.293	1.139	10	20	CDCD	
COc1cc(C)cc(CN2CCN3C(=O)CC[C@@H]3C2)c1O	893984218	LWYNHVAZYCSLQH-CYBMUJFWSA-N	290.363	1.516	10	20	CDCD	
CCN(Cc1cc(C)cc(OC)c1O)[C@H]1CCNC1=O	894664740	ZNDGYUFSAHEOMD-LBPRGKRZSA-N	278.352	1.420	10	20	CDCD	
COc1ccc(CNC[C@H](O)C(F)(F)F)c(O)c1OC	892668786	MWGUPXZKHJCIOD-VIFPVBQESA-N	295.257	1.422	10	20	CDCD	
Oc1ccccc1CNc1ccc(-n2cncn2)cn1	791002391	HLALGKCADQLIPX-UHFFFAOYSA-N	267.292	1.980	10	20	CDCD	
CC1(C)CNC(=O)[C@H]1NCc1cccc(Cl)c1O	895316615	QAFFHHBIESLBOB-LLVKDONJSA-N	268.744	1.660	10	20	CDCD	
CN[C@H](C)CCNC(=O)NCc1ccc(N)cc1	1335552008	TYLZEDSQYSSNGX-SNVBAGLBSA-N	250.346	1.066	10	20	CDCD	
CCOc1ccc(N2CCN(C(=O)CCO)CC2)cc1	1336077282	IJJMTFWYAZHCGE-UHFFFAOYSA-N	278.352	1.116	10	20	CDCD	
O=C(NCc1cccc(O)c1O)C1(CCF)CC1	1347233294	HKOGTGUDDQJZSR-UHFFFAOYSA-N	253.273	1.854	10	20	CDCD	
N[C@@H]1C[C@H]2CN(Cc3cc(F)ccc3O)C[C@@]2(C(=O)O)C1	1608265886	CONCYDRCTOJBOZ-NVBFEUDRSA-N	294.326	1.155	10	20	CDCD	
O=C(NC1(C(=O)O)CCCCC1)c1cc(O)cs1	1605735999	MPLSZGHLPCGNIS-UHFFFAOYSA-N	269.322	1.971	10	20	CDCD	
CN(C(=O)NCc1ccc(N)cc1)[C@H]1C[C@@H](C(=O)O)C1	1605971578	FKWMWCPIHODHDK-KLPPZKSPSA-N	277.324	1.273	10	20	CDCD	
CC[C@@H](O)CN(C)c1ccc(OCC(=O)O)cc1	1605748863	ITGWYGWURXMHBW-LLVKDONJSA-N	253.298	1.357	10	20	CDCD	
Cc1ccc(C(=O)N[C@@]2(C(=O)O)CCSC2)c(O)c1O	1610483727	HBZPIFJFXVMQJX-ZDUSSCGKSA-N	297.332	1.096	10	20	CDCD	
CCN1C[C@@H](N[C@@H](C)c2cc(C(=O)O)ccc2O)CC1=O	1596403477	XZGKMPWJAMEHKV-ONGXEEELSA-N	292.335	1.362	10	20	CDCD	
COC[C@@H](O)CCN[C@H](C)c1cc(C(=O)O)ccc1O	1599179948	YSKAHRDVGYBKIU-KOLCDFICSA-N	283.324	1.138	10	20	CDCD	
C[C@@H](C(=O)O)N1CCCc2ccc(N(C)C)cc2C1	1776228677	OPYLTZZVSQMRJP-NSHDSACASA-N	262.353	1.974	10	20	CDCD	
CN1CCC[C@@H]1C(=O)NCc1c(O)ccc2c1CCCC2	156341160	GSSMOPGYFFLNGY-OAHLLOKOSA-N	288.391	1.981	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@H]2NCCC2(C)C)cc1	852855618	KQEDOIMFHCRULU-CQSZACIVSA-N	275.396	1.757	10	20	CDCD	
CCOCCN(CC)Cc1cc2c(cc1O)OCO2	107668416	AHSROGMKSOJBQJ-UHFFFAOYSA-N	267.325	1.979	10	20	CDCD	
CC(=O)c1cc(Cl)cc(CN2CCNC(=O)[C@@H]2C)c1O	106359004	XJYPUFORZQUUEI-QMMMGPOBSA-N	296.754	1.569	10	20	CDCD	
CN(C)c1ccc(CNCCc2ccnn2C)cc1	231033644	DUAPHKNCQQPQAK-UHFFFAOYSA-N	258.369	1.818	10	20	CDCD	
COc1cccc(CN[C@@H]2CCCS(=O)(=O)C2)c1O	69142851	XHQDVIHURPAIMC-LLVKDONJSA-N	285.365	1.068	10	20	CDCD	
O=C(NCCCOC(F)F)c1cccc(O)c1O	398229272	XEQOHBWXSKJXEF-UHFFFAOYSA-N	261.224	1.457	10	20	CDCD	
C[S@](=O)CCNCc1ccc2c(c1)CCCO2	921751140	DUNQSLJDFVWKNA-KRWDZBQOSA-N	253.367	1.480	10	20	CDCD	
CC(=O)NC[C@@H]1CN(Cc2cc(Cl)ccc2O)CCO1	179712121	SIRFZNJKHSIGGK-CYBMUJFWSA-N	298.770	1.383	10	20	CDCD	
CC1CCN(c2ccc(CNS(C)(=O)=O)cc2)CC1	108403600	PKEMKBYACYKZAA-UHFFFAOYSA-N	282.409	1.972	10	20	CDCD	
C[C@@H]1C[C@H](NC(=O)Cc2ccc(N)cc2)CN1C1CC1	178866766	FWRLNXAGBWFDNW-RISCZKNCSA-N	273.380	1.553	10	20	CDCD	
C[C@H]1C[C@@H](NC(=O)Cc2ccc(N)cc2)CN1C1CC1	178866785	FWRLNXAGBWFDNW-SMDDNHRTSA-N	273.380	1.553	10	20	CDCD	
C[C@H](NC[C@@H]1CN(C)CCN1C)c1ccc(N(C)C)cc1	68801750	RSIGQQIYGCUPFT-WMLDXEAASA-N	290.455	1.649	10	20	CDCD	
CN(C)c1ccc(CNC(=O)C2(O)CCSCC2)cc1	305753547	UYQSNFHPWRNGDJ-UHFFFAOYSA-N	294.420	1.627	10	20	CDCD	
CC(C)c1cc(C(=O)NCc2ccc(O)c(O)c2)n(C)n1	182541200	MDZVOTMMDWHGTP-UHFFFAOYSA-N	289.335	1.885	10	20	CDCD	
COc1cccc(CN2CCC[C@H](C(=O)O)C2)c1O	86728429	ASOUZVPXBDDZEB-NSHDSACASA-N	265.309	1.697	10	20	CDCD	
CCNC(=O)[C@H](C)N[C@@H](C)c1cc(F)ccc1O	94617130	KTXIUPQKZAYRGY-IUCAKERBSA-N	254.305	1.707	10	20	CDCD	
CS(=O)(=O)N1CCC[C@@H](CSc2nccs2)C1	267181690	XLIAJMJGTMZTQZ-SECBINFHSA-N	292.451	1.907	10	20	CDCD	
CCN(CCNS(=O)(=O)CC)c1ccc(OC)cc1	264546828	GKSYRIVAABJVSN-UHFFFAOYSA-N	286.397	1.461	10	20	CDCD	
COC(=O)[C@H](NCc1ccc(N(C)C)c(F)c1)C1CC1	276472005	MYEGPARVIFEQEW-CQSZACIVSA-N	280.343	1.933	10	20	CDCD	
COC[C@@H](NCc1ccc2c(c1)CCO2)[C@@H]1CCCO1	278683000	PDVRVVKPHUDCMH-ZBFHGGJFSA-N	277.364	1.905	10	20	CDCD	
CC[C@H](C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)C(=O)OC	276834865	PBCGVXQTDSPTQW-GXSJLCMTSA-N	295.335	1.344	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)Cc1cncnc1	279397295	JIVLUSYELCKTRM-UHFFFAOYSA-N	298.346	1.511	10	20	CDCD	
CN(C)c1ccc(OC[C@@H]2CCS(=O)(=O)C2)cc1	289307727	AUXBEMUJZLSCKR-NSHDSACASA-N	269.366	1.566	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC[C@H]2CC[C@@H](CO)O2)c1	293802122	VEGJVLPSTCBVHJ-RTXFEEFZSA-N	281.352	1.591	10	20	CDCD	
C[C@H](CO)CNC(=O)NCc1ccc(N(C)C)c(F)c1	299300008	AMTTYYOEKMPXBP-JTQLQIEISA-N	283.347	1.319	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCOC[C@@H]1[C@H]1CCCO1	807688445	KMSVYBNLVVLGTK-GHMZBOCLSA-N	283.349	1.474	10	20	CDCD	
NC(=O)N[C@@H]1CCN(Cc2cc(Cl)c(F)cc2O)C1	816521329	MPOQVLQCYDTMJC-MRVPVSSYSA-N	287.722	1.427	10	20	CDCD	
CC[C@H](N)CN[C@@H](C)c1cc([N+](=O)[O-])ccc1O	817981147	ZMBZMQCLSDIOMD-IUCAKERBSA-N	253.302	1.688	10	20	CDCD	
COc1ccc(N2CC[C@H](CN[C@H](C)CCO)C2)cc1	818342238	NNVDYIHQZSXGLQ-ZIAGYGMSSA-N	278.396	1.882	10	20	CDCD	
C[C@H](C(=O)N[C@H](C)c1ccccc1O)[C@@H]1CCC(=O)N1	827952065	FECQZHGNNDUXRX-UMNHJUIQSA-N	276.336	1.484	10	20	CDCD	
CCOC(=O)[C@H](C(=O)NCc1ccc(O)c(O)c1)C(C)C	821070610	HWUCIMKHRDIYMO-ZDUSSCGKSA-N	295.335	1.549	10	20	CDCD	
CNC[C@H](C)C(=O)N[C@H](C)c1cc(OC)ccc1O	828666213	BVLMDAAUXHLRDG-VHSXEESVSA-N	266.341	1.434	10	20	CDCD	
CCc1nc(CNC(=O)NCc2ccccc2O)co1	838059958	DULKNSRFGZVVRY-UHFFFAOYSA-N	275.308	1.942	10	20	CDCD	
O=C(NC[C@@H](O)C1CCC1)c1c(F)ccc(O)c1O	839790247	PDSPYBWCFNVVCE-SNVBAGLBSA-N	269.272	1.128	10	20	CDCD	
CCc1nc(CNC(=O)c2cc(O)cs2)co1	839786186	NFQOMIRUQFSJOU-UHFFFAOYSA-N	252.295	1.934	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)NC[C@@H](O)C1CCC1	837113857	JQGINNKWVSTKQF-BRLPQQTGSA-N	277.320	1.388	10	20	CDCD	
CC(C)CO[C@H](C)C(=O)NCc1ccc(O)cc1O	910951700	LWOWKBBPTHDDHW-SNVBAGLBSA-N	267.325	1.775	10	20	CDCD	
CC(C)(C)O[C@@H]1C[C@H]1C(=O)NCc1ccc(O)cc1O	910944609	VDLKHZVWQYPHLP-DGCLKSJQSA-N	279.336	1.918	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCC(CCO)CC1	846662537	CFPSMPMFPMNKQM-UHFFFAOYSA-N	255.339	1.688	10	20	CDCD	
CC1(C(=O)O)CCN(Cc2cc3c(cc2O)OCO3)CC1	843040196	HTIQFPFYUMMICK-UHFFFAOYSA-N	293.319	1.808	10	20	CDCD	
CCOc1ccc(CNC[C@H]2CCN2C)c(O)c1	922576214	YNBFITONGKMISR-GFCCVEGCSA-N	250.342	1.585	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H](CO)CC1CC1	855916230	MAHNVMYIPWVYMB-BPJJOFIESA-N	291.347	1.636	10	20	CDCD	
CC[C@H](NC)C(=O)N(C)CCN(C)c1ccc(OC)cc1	852834756	ATBYICFSSRTTEQ-HNNXBMFYSA-N	293.411	1.588	10	20	CDCD	
CCCN1CC(=O)N[C@@H]1c1c(O)cccc1Br	864388122	QPJBHPPNZXNOGQ-LBPRGKRZSA-N	299.168	1.995	10	20	CDCD	
Cc1cccc(O)c1CN1CCC(CC(N)=O)CC1	876593345	IWHAEAALFCCCHI-UHFFFAOYSA-N	262.353	1.788	10	20	CDCD	
Cc1nc([C@H](C)NCc2cc3c(cc2O)OCO3)no1	1117645803	MMKJXKJNFMGJIF-ZETCQYMHSA-N	277.280	1.663	10	20	CDCD	
CO[C@H]1CN(Cc2ccc(N(C)C)cc2)CCO1	878970198	KFPSYRUUJKDADX-CQSZACIVSA-N	250.342	1.557	10	20	CDCD	
COCCO[C@H]1COCC[C@@H]1NCc1cc(C)ccc1O	776812587	LIPDTFILXYFFGE-HOCLYGCPSA-N	295.379	1.611	10	20	CDCD	
O=C(O)CN(Cc1ccccc1O)C(=O)[C@H]1C[C@@H]1F	1123286604	YXSYZFIVSGRYMA-UWVGGRQHSA-N	267.256	1.163	10	20	CDCD	
C[C@@H](NC(=O)C1CC(=O)C1)c1ccc(N(C)C)cc1	773016275	ATELNMGZKCELSK-SNVBAGLBSA-N	260.337	1.909	10	20	CDCD	
CC(=O)c1cc(F)cc(Cn2cc(CCCO)nn2)c1O	880994722	DNMKDQBSPYQJIU-UHFFFAOYSA-N	293.298	1.299	10	20	CDCD	
CN(C)c1ccc(Cn2cc([C@@]3(O)CCOC3)nn2)cc1	881272440	VCGYVUZFYWFXTI-OAHLLOKOSA-N	288.351	1.000	10	20	CDCD	
C[C@H](O)C[C@H](C)NC(=O)NCc1ccc(N(C)C)cc1	782912361	IOPBOQWKWHNGNL-RYUDHWBXSA-N	279.384	1.711	10	20	CDCD	
COc1cc(C)cc(CN[C@H]2C[C@@H](O)C2(C)C)c1O	894495090	SBJLOWUTYHQVAJ-QWHCGFSZSA-N	265.353	1.958	10	20	CDCD	
Cc1cccc(CN2CC[C@@H](C3OCCO3)C2)c1O	896387749	UTGUPIGBAKHRNL-CYBMUJFWSA-N	263.337	1.895	10	20	CDCD	
CCOc1ccc(CNCc2cn(C)cn2)c(O)c1	898045471	OROITIAXZJWTTP-UHFFFAOYSA-N	261.325	1.814	10	20	CDCD	
COC(=O)[C@@H]1CCN(C(=O)c2cc(O)cs2)[C@@H]1C	788008924	QVICTUHKTYQJET-VXNVDRBHSA-N	269.322	1.477	10	20	CDCD	
CO[C@H]1CN(Cc2cc(C)cc(C)c2O)C[C@H]1OC	792713991	QIKDXTCVZDKYAE-OKILXGFUSA-N	265.353	1.855	10	20	CDCD	
O=C(COC(F)F)NCCCSc1nccs1	796418385	ORFBERHWCZENFW-UHFFFAOYSA-N	282.337	1.981	10	20	CDCD	
COCC[C@@H](CO)N[C@@H](C)c1cc(F)cc(F)c1O	798940140	AOCPCIOHNFBHBI-WPRPVWTQSA-N	275.295	1.718	10	20	CDCD	
COc1ccc(O)c(CNCC2CCOCC2)c1	104187266	LZDVUQXRZHVSKI-UHFFFAOYSA-N	251.326	1.917	10	20	CDCD	
C[C@@H](NC[C@@H]1CCS(=O)(=O)C1)c1ccccc1O	38082636	FHBGCKWSUQTKMO-MNOVXSKESA-N	269.366	1.478	10	20	CDCD	
COc1cccc(O)c1CN1CC[C@@](O)(C2CC2)C1	1320915269	CVZSHHJVIUCLNF-HNNXBMFYSA-N	263.337	1.748	10	20	CDCD	
COc1cccc(O)c1CNCC1([S@@](C)=O)CC1	799348712	LOUGFDZNAYJIRG-GOSISDBHSA-N	269.366	1.402	10	20	CDCD	
NC[C@@H]1CN(Cc2ccc(N3CCCC3)cc2)CCCO1	1331417915	DQIISZWDGXHTTP-QGZVFWFLSA-N	289.423	1.836	10	20	CDCD	
Cn1ncc2c1CCCN(C(=O)NCc1ccc(N)cc1)C2	1346738670	JCSQPHNREVJRMJ-UHFFFAOYSA-N	299.378	1.660	10	20	CDCD	
CC[C@@H]1NCC[C@H]1C(=O)NCc1c(O)cccc1F	1344820653	BHDSMHSUNNPGQF-SKDRFNHKSA-N	266.316	1.536	10	20	CDCD	
NC[C@H]1CC[C@H](NC(=O)NCc2ccc(N)cc2)CC1	1346527227	UMOGBNORWRSYOB-YEORSEQZSA-N	276.384	1.586	10	20	CDCD	
C[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(N)cc2)C1	1346210436	RIIFGCHJRZRISN-LLVKDONJSA-N	275.352	1.144	10	20	CDCD	
O=C(O)c1cnc(SCC(=O)C2CCOCC2)s1	1602537350	PPZIGPGHFMYFQQ-UHFFFAOYSA-N	287.362	1.929	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@]1(C(=O)O)C[C@H]1C	1603200239	YPZZHPJRJQRBAL-OLBFVZFUSA-N	293.319	1.256	10	20	CDCD	
Cc1ccc(O)c(CNCCN(C)CC(F)F)c1	858336215	AAIZNTDUKNKBJX-UHFFFAOYSA-N	258.312	1.987	10	20	CDCD	
COCC[C@H](N)C(=O)NCc1c(O)ccc2ccccc12	1573974405	GLVQXNOMSANLMQ-AWEZNQCLSA-N	288.347	1.525	10	20	CDCD	
Cc1ccc(O)c(CNc2cc(-c3nn[nH]n3)cnn2)c1	1592185773	BKRSPIVAGAYNMH-UHFFFAOYSA-N	283.295	1.283	10	20	CDCD	
C[C@H](N[C@H](C)CCO)c1cc(C(=O)O)ccc1O	1592529377	QDAYWGXEOPSKBQ-BDAKNGLRSA-N	253.298	1.512	10	20	CDCD	
C[C@H](N[C@H](C)C[S@](C)=O)c1ccc(F)cc1O	168867162	RKXSJIJXDDJRQR-KSRUKNBBSA-N	259.346	1.949	10	20	CDCD	
CCn1cc(C(=O)NCCc2ccc(N)cc2)cn1	152517961	YPGUGVYJAPJFLA-UHFFFAOYSA-N	258.325	1.458	10	20	CDCD	
Cc1ncccc1C(=O)NCc1ccc(O)c(O)c1	159026851	UFSWPTCQUQPHOJ-UHFFFAOYSA-N	258.277	1.731	10	20	CDCD	
CCOc1cccc(CNCCCOCCO)c1O	227335352	YCWNXBKOQVBYKC-UHFFFAOYSA-N	269.341	1.280	10	20	CDCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2NC[C@@]1(O)CCOC1	230669450	WZHLHSKQORVMIY-HSMVNMDESA-N	277.364	1.990	10	20	CDCD	
[N-]=[N+]=NCc1ccc(C(=O)N2CCC[C@H](O)C2)o1	1537962743	XKLRRBOMVLVORV-QMMMGPOBSA-N	250.258	1.687	10	20	CDCD	
CN(C)c1ccc(CN2CCN(c3cnn(C)c3)CC2)cc1	126038593	ZGZHJOWHNAVMIQ-UHFFFAOYSA-N	299.422	1.808	10	20	CDCD	
CN(CCN1CCNCC1)Cc1c(O)cccc1Cl	128326642	DCKPAJZMXYYDSU-UHFFFAOYSA-N	283.803	1.383	10	20	CDCD	
CSC1(CNC(=O)Cc2ccc(N)cc2)CCOCC1	237487028	PABUGCFNNHBYAY-UHFFFAOYSA-N	294.420	1.840	10	20	CDCD	
Cc1cc(C(=O)N[C@@H](C)CCO)c(C)n1-c1ccccn1	269102753	IKHLOYLVULJXHJ-NSHDSACASA-N	287.363	1.990	10	20	CDCD	
COc1ccc(N(C)CCN2CCOCC2)c(OC)c1	269765207	DZRVBSYCRRSZGK-UHFFFAOYSA-N	280.368	1.472	10	20	CDCD	
CN(C)[C@]1(CNC(=O)Cc2ccc(N)cc2)CCSC1	269223678	BHCPTJDGHFKDJH-HNNXBMFYSA-N	293.436	1.365	10	20	CDCD	
O=C1CO[C@H]2CCN(Cc3cc(Cl)ccc3O)C[C@@H]2N1	366771118	JYNINJNWHQCRDF-AAEUAGOBSA-N	296.754	1.135	10	20	CDCD	
COC(=O)CN(C)Cc1cc(OC)c(OC)cc1O	271714520	HYSKXZMIOBXXJL-UHFFFAOYSA-N	269.297	1.014	10	20	CDCD	
CC(=O)C(=O)COc1ccc2c(c1)OC(=O)C[C@H]2C	289611281	KXKYUBNIOGUDTD-MRVPVSSYSA-N	262.261	1.636	10	20	CDCD	
C[C@H]1C[C@@H](C)O[C@H]1C(=O)NCCc1ccc(O)c(O)c1	282291930	FQONDFPJXNKBPK-IMSIIYSGSA-N	279.336	1.570	10	20	CDCD	
CCOc1ccc(CN2CCNC(=O)C[C@@H]2C)c(O)c1	809766173	WGBKHBZEUFSDSN-NSHDSACASA-N	278.352	1.501	10	20	CDCD	
CC1(C)CN(Cc2cc3c(cc2O)OCO3)C[C@@H](CO)O1	817413552	YWFQQNCIHUJXSR-NSHDSACASA-N	295.335	1.093	10	20	CDCD	
COCCOC[C@H](O)CNCc1ccc(N(C)C)cc1C	819077265	JXQJMLJIMJHJNX-MRXNPFEDSA-N	296.411	1.175	10	20	CDCD	
CC(C)[C@@H](C(=O)NCCc1ccc(N)cc1)[C@@H](C)N	818545149	MBOWFKKEASZUPG-BXUZGUMPSA-N	263.385	1.547	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNCCCCS(C)(=O)=O	822494159	HLFAOOXNTVJODF-UHFFFAOYSA-N	298.452	1.975	10	20	CDCD	
O=C(O)C1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1	821508646	CUGVAOIURPCZNQ-RQOWECAXSA-N	291.303	1.434	10	20	CDCD	
C[C@@H]1NCC[C@@H]1C(=O)NCc1ccc2c(c1)CCCN2C	827914024	VOWKITAREPJZOG-WFASDCNBSA-N	287.407	1.683	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CCN(C)C1	734468150	NZAHOVNFPQBMCY-CQSZACIVSA-N	275.396	1.629	10	20	CDCD	
O=C(O)CN(Cc1cc(Cl)ccc1O)C[C@H]1CCOC1	739793735	OLKWXJRJOGRLBX-SNVBAGLBSA-N	299.754	1.969	10	20	CDCD	
CC[C@H](NC(=O)NCc1ccc(N(C)C)cc1)[C@@H](C)O	836236819	UQSNGLCPFULACJ-RISCZKNCSA-N	279.384	1.711	10	20	CDCD	
COC(=O)CC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C	910559970	YVVAHPGYSHAOHM-GFCCVEGCSA-N	292.379	1.671	10	20	CDCD	
Cc1cccc(CN2CC[C@@H](N3CCNCC3)C2)c1O	843122129	KYZYVPBVAOYNLB-OAHLLOKOSA-N	275.396	1.180	10	20	CDCD	
CCN1C[C@H](CNCc2cc(C)ccc2O)CC1=O	846095008	VXYCGDMTSXCCRQ-LBPRGKRZSA-N	262.353	1.659	10	20	CDCD	
CCOC(=O)N[C@@H](C(=O)NCc1ccccc1O)C(C)C	748346651	RBWOCDOOXSCCHV-CYBMUJFWSA-N	294.351	1.779	10	20	CDCD	
COc1cc(O)c(CNCC2(N(C)C)CC2)cc1OC	841889838	GLOKOTQUMLZFAY-UHFFFAOYSA-N	280.368	1.593	10	20	CDCD	
Oc1cccc2c1[C@@H](NCC[C@@]1(O)CCCOC1)CC2	846211018	FLPCSTGFJURHRV-BBRMVZONSA-N	277.364	1.901	10	20	CDCD	
Oc1c(Cl)cccc1CN1CC[C@@H](N2CCNCC2)C1	843120698	BQBOFKOTQNYLKM-CYBMUJFWSA-N	295.814	1.525	10	20	CDCD	
COC(=O)CC1(NC(=O)Cc2ccc(N)cc2)CCC1	843443745	OIAUUBBMEYPPFY-UHFFFAOYSA-N	276.336	1.413	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN(C)CC(C)(C)N)c1O	849350065	JLHWJPWCTXYADV-UHFFFAOYSA-N	283.328	1.478	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)NC[C@H](C)N	841989711	WLIZJTWNLMERIN-NSHDSACASA-N	265.357	1.661	10	20	CDCD	
CN1C(=O)C2(CCCC2)N[C@H]1c1cc2c(cc1O)OCO2	742439115	IIJPPZZVFXLIDU-CYBMUJFWSA-N	290.319	1.494	10	20	CDCD	
CCOc1ccc(CNC[C@H](N)C2CC2)c(O)c1	841051249	XDKIRHFKLNERDB-ZDUSSCGKSA-N	250.342	1.618	10	20	CDCD	
CC(C)N1CC[C@@H](OC(=O)c2cccc(O)c2O)C1=O	758547483	LVBQECHLZJVMIZ-LLVKDONJSA-N	279.292	1.264	10	20	CDCD	
C[C@H](NC(=O)O[C@H]1CNOC1)c1ccc(N(C)C)cc1	922051538	NECBHCZGIMSUBJ-GWCFXTLKSA-N	279.340	1.443	10	20	CDCD	
O=C(NC[C@@H](CO)CC1CC1)c1c(F)ccc(O)c1O	857327016	JXJPWVJAZVLCRD-VIFPVBQESA-N	283.299	1.375	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NC[C@H]2CCCN(C)C2)c1	858283238	ZZVUEQDTZCZHQS-CYBMUJFWSA-N	291.395	1.842	10	20	CDCD	
COC[C@@H](CN[C@@H](C)c1cc(C(=O)OC)ccc1O)OC	757636116	BGIVRQAAMNWMKL-CMPLNLGQSA-N	297.351	1.491	10	20	CDCD	
C[C@H](NCc1cc(F)c(N(C)C)cc1F)C(=O)N(C)C	858160319	IOGWNDFCWBKYDB-VIFPVBQESA-N	285.338	1.597	10	20	CDCD	
COCC(COC)N(C)CCN(C)c1ccc(OC)cc1	930851813	APAHOJIPDSIUTC-UHFFFAOYSA-N	296.411	1.725	10	20	CDCD	
CCCCCCNC(=O)COC(=O)c1cccc(O)c1O	758571107	CLDRMYZOQDZHAF-UHFFFAOYSA-N	295.335	1.951	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)NCCOCCF)c1	853238978	WTNUKVLKMXNIGQ-JTQLQIEISA-N	285.315	1.816	10	20	CDCD	
CN(Cc1cc(Cl)cc(F)c1O)[C@]1(CO)CCOC1	862426785	OHQCHGUXPCFFRY-ZDUSSCGKSA-N	289.734	1.768	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1cccnc1	763279035	HQUHBZCRCOLLIL-NSHDSACASA-N	286.331	1.783	10	20	CDCD	
O=C(NCc1ccccc1O)N[C@@H]1CCCc2c[nH]nc21	766913446	MFQXWRWCTZNWJE-GFCCVEGCSA-N	286.335	1.992	10	20	CDCD	
CC(=O)N[C@@H]1CCN(Cc2cc(F)c(N(C)C)cc2F)C1	862396415	PDAMANMSDUJPTG-GFCCVEGCSA-N	297.349	1.741	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N1CCO[C@@H]2CCC[C@@H]21	862858957	QPQSUEHXMUKYBK-YJXTXKHHSA-N	289.331	1.891	10	20	CDCD	
CCOC(=O)CN(CC)Cc1c(O)cccc1OC	769005725	NJICLCTUIQKHRP-UHFFFAOYSA-N	267.325	1.786	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cnco1	773768728	ZGJHWRNHHAMFQY-MRVPVSSYSA-N	262.265	1.447	10	20	CDCD	
Nc1ccc(CNC(=O)N2C[C@@H]3CCC[C@@H](N)[C@H]3C2)cc1	1120592157	QJPCNCBSVLUWAB-AEGPPILISA-N	288.395	1.538	10	20	CDCD	
CCO[C@@H]1C[C@@H](NCc2cc(F)cc(F)c2O)[C@H]1OC	894466947	QFMNWUMNPWWEOQ-YRGRVCCFSA-N	287.306	1.952	10	20	CDCD	
CC1(C)CNC(=O)[C@@H]1NCc1cccc(Cl)c1O	895316617	QAFFHHBIESLBOB-NSHDSACASA-N	268.744	1.660	10	20	CDCD	
COc1cc(Cl)cc(CN[C@H]2CCOC2=O)c1O	895804286	ISHYNYALSDSDGG-VIFPVBQESA-N	271.700	1.459	10	20	CDCD	
CCN1CCN(Cc2ccc(N3CCCC3)cc2)CC1=O	1204321622	JJLQMKHLQJQLOW-UHFFFAOYSA-N	287.407	1.951	10	20	CDCD	
O=S1(=O)N=C(NCc2ccccc2O)c2ccccc21	133745888	STQNFYRFYLZRBI-UHFFFAOYSA-N	288.328	1.631	10	20	CDCD	
OCCCCCNCc1cc2c(cc1O)OCO2	192904412	QDYYQILKAOKNQO-UHFFFAOYSA-N	253.298	1.373	10	20	CDCD	
CCc1cccc(CNCCCCS(C)(=O)=O)c1O	692830948	LSXWBDOBYMTANL-UHFFFAOYSA-N	285.409	1.869	10	20	CDCD	
COC(=O)[C@H]1C[C@@H](C(=O)NCc2cc(C)ccc2O)C1	1336035643	PXYDNELTRCSKDR-PHIMTYICSA-N	277.320	1.516	10	20	CDCD	
NOCCCNC(=O)NCc1ccc(N2CC=CC2)cc1	1338551903	RWBGOZRTBDHHEB-UHFFFAOYSA-N	290.367	1.142	10	20	CDCD	
CCN1CCC[C@@H](NCc2cc(OC)ccc2O)C1=O	722358296	BYNWXVAHXFLJKT-CYBMUJFWSA-N	278.352	1.501	10	20	CDCD	
CN(C)c1ccc(CNCC(C)(C)S(C)(=O)=O)cc1	93520834	SKTXATLFCQFPHY-UHFFFAOYSA-N	284.425	1.665	10	20	CDCD	
CC(=O)OC1CCN(C(=O)NCc2ccc(N)cc2)CC1	1346739221	OPLBUPJODGIMKR-UHFFFAOYSA-N	291.351	1.506	10	20	CDCD	
C[C@H]1CCCN(C(=O)CCNC(=O)c2cc(O)cs2)C1	1350882391	WYMUDEIAOIBUKO-JTQLQIEISA-N	296.392	1.832	10	20	CDCD	
CCN(Cc1ccc(N)cc1)[C@@H](C)CS(=O)(=O)CC	1356083604	USRHLYOVFPFNFS-LBPRGKRZSA-N	284.425	1.914	10	20	CDCD	
O=C(O)[C@@H](Cc1cncs1)NCc1cc(F)ccc1O	1601662016	IPYQGOYFIRHRKO-LLVKDONJSA-N	296.323	1.773	10	20	CDCD	
CC[C@@H](NC)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	1577172268	RVKJPJJYFRDAIJ-BXUZGUMPSA-N	263.385	1.928	10	20	CDCD	
CC(C)(C)[C@@H](NCc1cc2c(cc1O)OCO2)C(=O)O	1589717485	PMIQINCEZJKVRU-LBPRGKRZSA-N	281.308	1.710	10	20	CDCD	
O=C(N[C@@H]1CCN2CCC[C@H]2C1)c1cccc(O)c1O	253087727	DLSIPVMDNBRKSP-MNOVXSKESA-N	276.336	1.454	10	20	CDCD	
CC[C@@H]1CN(Cc2cc(F)cc(C(C)=O)c2O)C[C@H]1O	270820448	BEJBPDCUUKRDHQ-QMTHXVAHSA-N	281.327	1.937	10	20	CDCD	
Cc1csc(=O)n1CCC(=O)Nc1ccc(N)cc1	34670395	HTMRCSVGQHXPDY-UHFFFAOYSA-N	277.349	1.829	10	20	CDCD	
Oc1c(Cl)cc(Cl)cc1CN[C@H]1COC[C@H]1O	323213410	WWEXQWXQMNYWHK-VHSXEESVSA-N	278.135	1.548	10	20	CDCD	
Oc1c(F)cc(F)cc1CN1CCn2cnnc2C1	708383930	OHWOBLFCGXZBGK-UHFFFAOYSA-N	266.251	1.278	10	20	CDCD	
O=S1CCN(Cc2cc(F)cc(F)c2O)CC1	708415268	VZVHYFWRYBPNHC-UHFFFAOYSA-N	261.293	1.235	10	20	CDCD	
CN(Cc1cc(F)cc(F)c1O)[C@@H]1CCS(=O)(=O)C1	708421355	FBLSJYHDROLODT-SNVBAGLBSA-N	291.319	1.289	10	20	CDCD	
C[C@H](NCc1cc2c(cc1O)OCO2)c1ncn(C)n1	391861883	QGNCNBRMCBPJIW-QMMMGPOBSA-N	276.296	1.100	10	20	CDCD	
COCCC(C)(C)NC(=O)c1cccc(O)c1O	398360051	XBUVGKXOOYAFDV-UHFFFAOYSA-N	253.298	1.643	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCC[C@H]1C1OCCO1	888439883	ULWVLQAXZDPJMW-JTQLQIEISA-N	279.292	1.075	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)Cc2cnn(C)c2)c1	170900494	CKPRNPIKRFXRGL-JTQLQIEISA-N	289.335	1.554	10	20	CDCD	
CN1CCN(CCCNCc2ccc(N(C)C)cc2)CC1	20128300	YNDJRRQSCFKLPE-UHFFFAOYSA-N	290.455	1.480	10	20	CDCD	
CC(=O)NC[C@@H]1CN(Cc2cc(C)cc(C)c2O)CCO1	178889881	XVDXAXMZFKRAFG-OAHLLOKOSA-N	292.379	1.346	10	20	CDCD	
Cc1ccc(C(=O)NCCCC(=O)NC2CC2)c(O)c1O	182074838	KQUWONKDDJDGII-UHFFFAOYSA-N	292.335	1.195	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CNC2CC2)cc1F	237082450	UYXHXXZZZRJQQF-UHFFFAOYSA-N	265.332	1.260	10	20	CDCD	
Cc1ccc(O)c(CN(C)[C@@H]2CCN(S(C)(=O)=O)C2)c1	292791909	MOEXMACMYSOAAL-CYBMUJFWSA-N	298.408	1.166	10	20	CDCD	
COC[C@H](CO)N[C@H](C)c1cc(OC)ccc1O	234838057	SBQGNBPUBUKLFP-ZJUUUORDSA-N	255.314	1.059	10	20	CDCD	
Cc1ccc([C@H](C)NCC(=O)N2CCOCC2)c(O)c1	181232516	IJAHQLDPKNQHNI-LBPRGKRZSA-N	278.352	1.210	10	20	CDCD	
O=C(N[C@H]1CCCC[C@@H]1O)c1c(F)ccc(O)c1O	276508077	ARXQIVHZSUJTNV-IUCAKERBSA-N	269.272	1.270	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H](C)CCN(C)C)c(O)c1O	272550377	AUPFIJMSFJWYMZ-JTQLQIEISA-N	266.341	1.476	10	20	CDCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)C1CC1	272267216	RHKVWGOAJYFBNN-UHFFFAOYSA-N	297.738	1.957	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1cncs1	276241128	ODVJWSPWVMYTFH-VIFPVBQESA-N	292.360	1.844	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNC[C@H](O)C(C)C)c1O	278891880	PRDUFBKDWPHZPT-NSHDSACASA-N	284.312	1.416	10	20	CDCD	
COc1ccc(N2CCN(CC(=O)N3CCC3)CC2)cc1	298304309	WYTAMEPQGPBDGW-UHFFFAOYSA-N	289.379	1.050	10	20	CDCD	
COc1cccc(CN2CCOCC(F)(F)C2)c1O	290206168	QAVDPGYGHWTFKN-UHFFFAOYSA-N	273.279	1.868	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCOCC(F)(F)C1	290371173	BCGLBQGPFOBVCY-UHFFFAOYSA-N	273.235	1.206	10	20	CDCD	
COc1cc(O)c(CNC[C@@H](OC)C2CC2)cc1OC	293562539	GFFLQHDSCQVCHH-OAHLLOKOSA-N	281.352	1.924	10	20	CDCD	
CNC(=O)c1ccc(C(=O)NCc2ccccc2O)cn1	728605378	ZWZDWJMEWYBMQR-UHFFFAOYSA-N	285.303	1.077	10	20	CDCD	
CO[C@](C)(CNC(=O)c1cc(O)cs1)C1CC1	812598459	DODZHHAZWBLGJH-GFCCVEGCSA-N	255.339	1.999	10	20	CDCD	
CCN1CC[C@H](CNC(=O)c2c(F)ccc(O)c2O)C1	825510786	IUHOZPINFXKMCE-SECBINFHSA-N	282.315	1.309	10	20	CDCD	
CCOc1ccc(CN[C@@H]2CC[C@H](C(N)=O)C2)c(O)c1	825280001	VYZPYBRZUIRDCK-CMPLNLGQSA-N	278.352	1.535	10	20	CDCD	
CN(Cc1cn(C2CC2)nn1)Cc1ccccc1O	906275662	CHSJZPZDSOXJKP-UHFFFAOYSA-N	258.325	1.951	10	20	CDCD	
CCn1cc(CN(C)c2ccc(OCC(=O)O)cc2)nn1	903904291	IXPRFWIORLAHCN-UHFFFAOYSA-N	290.323	1.398	10	20	CDCD	
CC[C@H](C)NC(=O)[C@@H](C)NC(=O)c1cc(O)cs1	731871229	HEUKJROZJIGEQT-JGVFFNPUSA-N	270.354	1.487	10	20	CDCD	
CC[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)C(OC)OC	834419613	ZTBPTWAWUXZJLT-JYKYSHPRSA-N	295.335	1.625	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)[C@@H]1CCCSC1	910945005	RWURHNWYYAXTAP-SNVBAGLBSA-N	267.350	1.857	10	20	CDCD	
COCCOC[C@H](C)NC(=O)c1cc(O)cs1	743677388	BSGXFRZYWYCMKK-QMMMGPOBSA-N	259.327	1.235	10	20	CDCD	
O=C(NCc1ccccc1O)N[C@H]1CCN2CCC[C@H]2C1	748460340	OFGQDFFJSLKZPW-KBPBESRZSA-N	289.379	1.818	10	20	CDCD	
O=C(O)[C@@H](O)C1CCN(Cc2cccc(Cl)c2O)CC1	833771193	XPSAXOBPKIQFIM-ZDUSSCGKSA-N	299.754	1.703	10	20	CDCD	
Cc1nccc(CN(C)c2ccc(OCC(=O)O)cc2)n1	846279773	KRIRNIMZUOVFLG-UHFFFAOYSA-N	287.319	1.885	10	20	CDCD	
O=C(COC(F)F)NCc1cc(Cl)ccc1O	846475678	FFIARVXFSKDWKK-UHFFFAOYSA-N	265.643	1.901	10	20	CDCD	
COc1cc(O)c(CN(C)Cc2nc(C)no2)cc1OC	848504970	LRHYSVMMTLFAAV-UHFFFAOYSA-N	293.323	1.733	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](C)CN	841969735	POEGFVRGMPIPBC-GFCCVEGCSA-N	278.400	1.631	10	20	CDCD	
O=C(NCc1cc2n(n1)CCCO2)c1cc(O)cs1	848385509	YPMNPVMFCWRTNS-UHFFFAOYSA-N	279.321	1.363	10	20	CDCD	
C[C@@H](CNCc1ccc(N2CCN(C)CC2)cc1)C(=O)O	848637933	NQAFENIAAOJRCH-ZDUSSCGKSA-N	291.395	1.249	10	20	CDCD	
CN(C)CC1(C(=O)NCc2ccc(O)cc2O)CC1	910944669	WSMKZCIHYZAMLZ-UHFFFAOYSA-N	264.325	1.056	10	20	CDCD	
C[C@H]1CC[C@@H](C)N1CC(=O)NCc1ccc(O)cc1O	910951834	WAIDOGAVHIQWLH-PHIMTYICSA-N	278.352	1.587	10	20	CDCD	
CC(C)[C@H]1CN(Cc2cccc(F)c2O)CCN1	843104471	INXSWAHOLGSNLR-CYBMUJFWSA-N	252.333	1.961	10	20	CDCD	
COc1ccc(O)c(CN2C[C@H]3CCC[C@@]3(N)C2)c1	857225993	CLHVGJZAHOMTET-IUODEOHRSA-N	262.353	1.714	10	20	CDCD	
OC[C@H](CCF)NCc1c(O)cccc1Br	858184574	SLYFDUWDSZHXMJ-QMMMGPOBSA-N	292.148	1.965	10	20	CDCD	
CN(C)c1cc(F)c(CN[C@H]2CCCCNC2=O)cc1F	858095681	RPTVDRKLQYAHEH-ZDUSSCGKSA-N	297.349	1.789	10	20	CDCD	
CCS(=O)(=O)C[C@@H](C)N(C)Cc1ccc(C)cc1O	876741256	XBOPZLZJGPCHCH-GFCCVEGCSA-N	285.409	1.956	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@H](C(C)C)N(C)C)c1	862757757	DESYXQKJIXEMDD-AWEZNQCLSA-N	264.369	1.903	10	20	CDCD	
C[C@@H](NS(=O)(=O)[C@H]1CCOC1)c1ccccc1O	867833976	IVFUURPYWBDNDY-ZJUUUORDSA-N	271.338	1.162	10	20	CDCD	
CCN(C)C(=O)[C@@H](C)NC(=O)N[C@H](C)c1ccccc1O	868532480	JYOQCEMCZINHHR-GHMZBOCLSA-N	293.367	1.619	10	20	CDCD	
CC(C)CS(=O)(=O)CCC(=O)N(C)c1ccc(N)cc1	877081094	UHOFUSWNEGNXCD-UHFFFAOYSA-N	298.408	1.693	10	20	CDCD	
O=C(O)[C@@H](CCO)NCc1c(O)ccc(Cl)c1F	1119614288	ZJFBRCSXBXBGRZ-MRVPVSSYSA-N	277.679	1.110	10	20	CDCD	
CNC(=O)C[C@@H](C)N[C@@H](C)c1c(O)cccc1F	886620276	GHHOPEAINGVLHQ-BDAKNGLRSA-N	254.305	1.707	10	20	CDCD	
C[C@@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)[C@H](C)CN1C	779547414	KNBZYLLEMCRSEV-ONYUAGEFSA-N	290.363	1.662	10	20	CDCD	
CCOC(=O)[C@@H]1CCN(C(=O)c2cccc(O)c2O)C1	884734002	NLLPMEJDVGTHOJ-SECBINFHSA-N	279.292	1.123	10	20	CDCD	
OC[C@]12C[C@H]1CN(Cc1cc(Br)ccc1O)C2	783741157	LADSUPAPDUPJSR-GXFFZTMASA-N	298.180	1.969	10	20	CDCD	
OC[C@@]12C[C@@H]1CN(Cc1cccc(Br)c1O)C2	783735852	TZRQZFUATBMHES-MFKMUULPSA-N	298.180	1.969	10	20	CDCD	
COc1ccc(CNC(=O)CCN2CCCC2=O)c(O)c1	794373847	NFBYMHZVLPUBML-UHFFFAOYSA-N	292.335	1.030	10	20	CDCD	
N=c1cc[nH]c(C(=O)NCc2ccc(N3CCCC3)cc2)n1	791426635	WZWVHQXCMCGPAO-UHFFFAOYSA-N	297.362	1.419	10	20	CDCD	
COc1cccc(CNS(=O)(=O)c2ccoc2)c1O	795853488	QPZYUVKRMNBEOG-UHFFFAOYSA-N	283.305	1.472	10	20	CDCD	
CC[C@H](NC[C@@]1(O)CCN(C)C1)c1ccccc1O	702636419	MLGNNQPIQRSVOU-ZFWWWQNUSA-N	264.369	1.500	10	20	CDCD	
Cc1noc(C)c1C(=O)NCCc1ccc(O)c(O)c1	193987982	CRDVRKXFMSHKGG-UHFFFAOYSA-N	276.292	1.675	10	20	CDCD	
O=C(O)[C@H]1[C@@H](CNCc2ccc3c(c2)CCO3)C1(F)F	715337089	ZGCWHIUOJYLSSW-ZYHUDNBSSA-N	283.274	1.677	10	20	CDCD	
C[C@@H](NCc1cc(Br)cc(F)c1O)C(N)=O	715719906	VQUSUEFZXQUFIH-RXMQYKEDSA-N	291.120	1.257	10	20	CDCD	
C[C@H](NCCN1CCC(CO)CC1)c1c(O)cccc1F	1337585969	OINWSSMYUXFJRM-LBPRGKRZSA-N	296.386	1.886	10	20	CDCD	
COc1ccc(N(C)Cc2cn(C)nc2C(=O)O)cc1F	1334017210	SUYFKYOZOAOXQA-UHFFFAOYSA-N	293.298	1.902	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@@H]1COC(=O)C1	1342892523	HPBIOOXZBXLBGL-ONGXEEELSA-N	293.319	1.098	10	20	CDCD	
O=C(NCc1cccc(O)c1O)c1cnc2n1CCCC2	1352657510	FAFMHRKKJXUDME-UHFFFAOYSA-N	287.319	1.561	10	20	CDCD	
C[C@H]1C[C@H](C(=O)O)CN(C(=O)Cc2ccc(O)c(O)c2)C1	1589269106	PVICPTCMVJIWNZ-ONGXEEELSA-N	293.319	1.210	10	20	CDCD	
Nc1ccc(C(=O)NCc2ccc3cccnc3c2O)nc1	1580440112	QQBQKWMBKBAHII-UHFFFAOYSA-N	294.314	1.848	10	20	CDCD	
CN(C)c1ccc(CNc2ncncc2C(=O)O)cc1	1598320621	JGEAIINVASFUFE-UHFFFAOYSA-N	272.308	1.853	10	20	CDCD	
CCN1CCCc2cc(CN[C@@H](COC)C(=O)O)ccc21	1776875547	DJYUKMXFFSWNAW-AWEZNQCLSA-N	292.379	1.648	10	20	CDCD	
CCN1CCCc2cc(CNCC[C@H](O)C(=O)O)ccc21	1776875549	OUAHWMUCUKLXTM-HNNXBMFYSA-N	292.379	1.384	10	20	CDCD	
Cc1cc(CC(=O)N(C)Cc2ccc(N(C)C)cc2)n[nH]1	151978242	LDWGMTBAXXLZCP-UHFFFAOYSA-N	286.379	1.985	10	20	CDCD	
C[C@H](C[S@](C)=O)NCc1c(O)cccc1Cl	164296294	IJFLQCAIDPEGMV-VPTHRUTESA-N	261.774	1.902	10	20	CDCD	
C[C@H](NCCO[C@@H]1CCOC1)c1cc(F)ccc1O	927079491	FEBCAMZLTRRVFO-CMPLNLGQSA-N	269.316	1.987	10	20	CDCD	
COC[C@H](CO)N[C@@H]1C[C@@H](C)c2c(C)ccc(O)c21	234834920	WRWNBUZOGIMEPI-GRYCIOLGSA-N	265.353	1.846	10	20	CDCD	
C[C@@H](CN1CCOCC1)N[C@@H](C)c1ccccc1O	36933245	DWJRVQMBGSEXHD-STQMWFEESA-N	264.369	1.764	10	20	CDCD	
C[C@H](NCC(=O)NCC(F)(F)F)c1ccccc1O	179887378	MZMOOEWVPCBUKZ-QMMMGPOBSA-N	276.258	1.721	10	20	CDCD	
C[C@@H]1CN(C(=O)Cc2ccc(N)cc2)CC[C@H]1C(=O)O	312375696	QJIXBHWJZYAFGK-ZWNOBZJWSA-N	276.336	1.381	10	20	CDCD	
CNC(=O)C[C@H](C)NCc1cc(Cl)ccc1O	323022018	JMWFZXWIFHXGAN-QMMMGPOBSA-N	256.733	1.660	10	20	CDCD	
COc1cccc(CNC(C)(C)CS(C)(=O)=O)c1O	391535608	UHAKTKRMZYJMPC-UHFFFAOYSA-N	287.381	1.314	10	20	CDCD	
CO[C@H]1CCCC[C@H]1NC(=O)Cc1ccc(N)cc1	269228473	NRUYHJVDWGBFQG-KGLIPLIRSA-N	262.353	1.885	10	20	CDCD	
NC(=O)c1ccc(CNC(=O)Cc2ccc(N)cc2)cc1	108261538	YWYKFMVQJXAMPD-UHFFFAOYSA-N	283.331	1.227	10	20	CDCD	
CN(CC(=O)N(C)c1nccs1)Cc1ccccc1O	109772737	QKQXPMGDQKISAQ-UHFFFAOYSA-N	291.376	1.944	10	20	CDCD	
COc1ccc2c(c1)CCCN2CC(=O)NC(C)C	27959646	BXMOUJJMLUMIGR-UHFFFAOYSA-N	262.353	1.972	10	20	CDCD	
CCCN(CC(=O)N(C)C)C(=O)c1ccc(C)c(O)c1O	179444820	CFYACJUZXGQMFK-UHFFFAOYSA-N	294.351	1.347	10	20	CDCD	
CCONC(=O)NCc1ccc(N(C)C)cc1C	115644506	GBCLMKSMEOMISU-UHFFFAOYSA-N	251.330	1.812	10	20	CDCD	
COc1ccc(O)c([C@H](C)NCC2([S@](C)=O)CC2)c1	282462244	VSDJFGIHMIRNIG-OVWNDWIMSA-N	283.393	1.963	10	20	CDCD	
CCC[C@@H]1C(=O)NCCN1Cc1cc(OC)ccc1O	180552306	XNVCLCAOHBNGRS-CYBMUJFWSA-N	278.352	1.501	10	20	CDCD	
O=C(NCc1ccc(N2CCCC2)cc1)c1ccc[n+]([O-])c1	41365483	YKCOBJSYRZXUCO-UHFFFAOYSA-N	297.358	1.850	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1cccc(=O)[nH]1	227876085	KVWALJSDCSZHNZ-UHFFFAOYSA-N	285.347	1.713	10	20	CDCD	
Oc1cc2c(cc1CN1CCOCC13CCC3)OCO2	93510611	JQWBMRKVAHKVPH-UHFFFAOYSA-N	277.320	1.876	10	20	CDCD	
Cc1ccc(O)c(CN2CC[C@@H](CN3CCOCC3)C2)c1	93665158	RZJKNIKDUWMASC-HNNXBMFYSA-N	290.407	1.855	10	20	CDCD	
COC(=O)[C@@H]1C[C@H](OC)CCN1Cc1cc(C)ccc1O	360001060	UUEBECTUSZWAMS-KGLIPLIRSA-N	293.363	1.853	10	20	CDCD	
C[C@@]1(O)CCCN(Cc2cc3c(cc2O)OCO3)CC1	279569614	AILKJOXFBMQEJR-OAHLLOKOSA-N	279.336	1.858	10	20	CDCD	
CC[C@@H](C(=O)NCc1ccc(N(C)C)c(F)c1)C(=O)OC	276622678	OIEACUZBIOMOSD-NSHDSACASA-N	296.342	1.707	10	20	CDCD	
CCOC(=O)/C(=C/c1cn(C(C)C)nn1)c1nccn1C	287341541	WTAFENPSWKHHEG-XYOKQWHBSA-N	289.339	1.696	10	20	CDCD	
Cc1cc(O)c(CN2CC[C@@H](CC(N)=O)C2)cc1C	377188630	AIVOUXUWKFPWDG-LBPRGKRZSA-N	262.353	1.706	10	20	CDCD	
C[C@H](N[C@@H](C)c1cc(F)ccc1O)C(=O)NCCF	282437418	DOZMPDXZSPDZCP-IUCAKERBSA-N	272.295	1.656	10	20	CDCD	
CO[C@H]1COC[C@@H]1NCc1cc(C)c(C)cc1O	289424761	CADNPQJSBRLOQJ-JSGCOSHPSA-N	251.326	1.512	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNCC[C@@H](C)CCO)c1O	294673254	ARGFXBQKTDDUFY-SNVBAGLBSA-N	298.339	1.807	10	20	CDCD	
Cc1noc(NC(=O)NCCc2ccc(O)c(O)c2)n1	296605171	DVHMXUXWVGWDRZ-UHFFFAOYSA-N	278.268	1.153	10	20	CDCD	
COC[C@H](CO)N[C@H](C)c1cc(Cl)ccc1O	290299891	YRAXGWCPHAVCAY-SCZZXKLOSA-N	259.733	1.704	10	20	CDCD	
O=C(NCC[C@@]1(O)C[C@H]2CC[C@H]1C2)c1cccc(O)c1O	816803971	MSIULCLTYBJEGC-XMZIXOGTSA-N	291.347	1.769	10	20	CDCD	
CN1CC[C@@](O)(CNCc2cc(Cl)c(F)cc2O)C1	816570370	RPCCVFQQBDJAJU-CYBMUJFWSA-N	288.750	1.341	10	20	CDCD	
COc1ccc(N2CC[C@@H](CN[C@H]3CCOC3)C2)cc1	818219776	DGZXJCQLYDVTIG-KBPBESRZSA-N	276.380	1.900	10	20	CDCD	
O=S1CCN(Cc2cc(Cl)c(F)cc2O)CC1	816504351	JOPNSZLFYXBXOL-UHFFFAOYSA-N	277.748	1.749	10	20	CDCD	
C[C@H](C1CCN(C)CC1)N(C)C(=O)c1cccc(O)c1O	819923193	WYOLFXQWVZBJSC-LLVKDONJSA-N	292.379	1.900	10	20	CDCD	
CC[C@@H](NC[C@H]1CNCCCO1)c1ccccc1O	817982441	SJLLYXBIHGLTNU-TZMCWYRMSA-N	264.369	1.811	10	20	CDCD	
Cc1cc(O)c(CN[C@@H](C)CS(C)(=O)=O)cc1Cl	825266308	JONZUHKHZJWQCR-VIFPVBQESA-N	291.800	1.877	10	20	CDCD	
C[C@@H]1C[C@H](O)CN(Cc2cc3c(cc2O)OCO3)C1	825310670	AQZWALBAHDNLEV-KOLCDFICSA-N	265.309	1.324	10	20	CDCD	
Cc1cc(O)c(CN[C@H]2CCCN(CCCO)C2)cc1C	824582851	CKOJEODGZKJNQF-INIZCTEOSA-N	292.423	1.945	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)c2c(C)cnn2C)c1	839651170	QMRDSZYVQFAIGS-JTQLQIEISA-N	289.335	1.934	10	20	CDCD	
C[C@@H](NCc1cn(C)cn1)c1cc([N+](=O)[O-])ccc1O	903352699	WCNQVFTVZKEXDZ-SECBINFHSA-N	276.296	1.885	10	20	CDCD	
Cc1cc(NC(=O)/C=C\c2ccc(O)c(O)c2)n(C)n1	588403936	KVAJAXWXUABECW-XQRVVYSFSA-N	273.292	1.792	10	20	CDCD	
CCOCCN1CCN(C(=O)c2cc(O)cs2)CC1	732293018	XDXYJPRHNSQWEQ-UHFFFAOYSA-N	284.381	1.248	10	20	CDCD	
CCOc1ccc(CNCCC[S@](C)=O)c(O)c1	735084893	AIXMKVRTFGYFMD-SFHVURJKSA-N	271.382	1.649	10	20	CDCD	
CCN(C[C@@H](C)OC)C(=O)c1c(F)ccc(O)c1O	832328430	JDUMKHDQUHWGPR-MRVPVSSYSA-N	271.288	1.734	10	20	CDCD	
CNC(=O)[C@@H]1CCCCN1C(=O)c1cc(O)cs1	732271002	MGFWGBFVXODIEX-VIFPVBQESA-N	268.338	1.194	10	20	CDCD	
COC[C@H](C)CC(=O)N(CC(=O)O)Cc1ccccc1O	911483780	DUHKCZXSWCGWII-LLVKDONJSA-N	295.335	1.478	10	20	CDCD	
Cc1cc(C(=O)OCCO)c(C)n1-c1ccccn1	914907242	TXKWKGXXDYJUBU-UHFFFAOYSA-N	260.293	1.638	10	20	CDCD	
Nc1ccc(CCNC(=O)[C@H]2CCCC[C@H]2N)cc1	911782990	NKXPPCOXJIFFEN-UONOGXRCSA-N	261.369	1.445	10	20	CDCD	
COc1cccc([C@@H](C)NCc2cn(C)nn2)c1O	846161735	CCEGUULYGMKUSD-SECBINFHSA-N	262.313	1.380	10	20	CDCD	
O=C(NCCc1ccccn1)NCc1ccccc1O	748450751	LHXKNGFBQUAFTG-UHFFFAOYSA-N	271.320	1.829	10	20	CDCD	
CNC[C@@H]1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2O)C1	843052129	GUBUPQQJMZZELM-VIFPVBQESA-N	299.758	1.995	10	20	CDCD	
C[C@@H]1[C@H](CO)CCCN1C(=O)/C=C/c1ccc(O)c(O)c1	840557728	GSFAWWMCTOWRKN-HASJVIIQSA-N	291.347	1.730	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2C[C@@H](C)NC[C@H]2C)c1O	843120115	XXRHEOWOUKMDCQ-NXEZZACHSA-N	295.339	1.491	10	20	CDCD	
NCC(F)(F)CNCc1c(O)ccc(Cl)c1F	841059949	NRHPAACXALHTGI-UHFFFAOYSA-N	268.666	1.868	10	20	CDCD	
Cc1ccc(O)c(CNCc2nnn(C(C)(C)C)n2)c1	848564567	OODUSNVGWOQVCG-UHFFFAOYSA-N	275.356	1.732	10	20	CDCD	
O=C(c1cc(O)cs1)N1CC[C@H](C2OCCO2)C1	927996790	SGYCLBUUUNGTKS-QMMMGPOBSA-N	269.322	1.289	10	20	CDCD	
CCO[C@@H]1COCC[C@H]1NCc1cc(C)ccc1O	759174000	SVOXJLYXRBBGSX-UKRRQHHQSA-N	265.353	1.984	10	20	CDCD	
O=C(NC[C@H]1CCCCS1(=O)=O)c1cc(O)cs1	753468204	DCFSGMVFSGUZOT-SECBINFHSA-N	289.378	1.151	10	20	CDCD	
C[C@@H]1[C@H](N(C)C)CCN1C(=O)/C=C/c1ccc(O)c(O)c1	854654196	JKLVQQVVSKXKNL-BVKQBWKVSA-N	290.363	1.662	10	20	CDCD	
C[C@H](N)C[C@@H](C)NCc1ccc(N2CCC(O)CC2)cc1	854230370	NYGQKAKHVDGFQE-UONOGXRCSA-N	291.439	1.863	10	20	CDCD	
COc1ncnc(OC)c1C(=O)NCc1ccccc1O	769361764	AAEYCYNOEQVABB-UHFFFAOYSA-N	289.291	1.129	10	20	CDCD	
COC(=O)C[C@@]1(NCc2cc(OC)ccc2O)CCOC1	768532291	DTBZMWFOLZXJFP-HNNXBMFYSA-N	295.335	1.213	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2cnc(C)nc2N)c1	769497914	DFMAMKNNLAHNNF-UHFFFAOYSA-N	288.307	1.011	10	20	CDCD	
C[C@@H]1CN(Cc2cc3c(cc2O)OC[C@H]3O)CCCO1	768448880	YBCNJPLIOFDOBU-QMTHXVAHSA-N	279.336	1.429	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCCN(CC(F)F)CC1	767153128	MSABTZBMLFTVRS-UHFFFAOYSA-N	290.335	1.867	10	20	CDCD	
COCC[C@@H](NCc1c(O)ccc(Cl)c1F)C(=O)O	1119064806	BOALTMABSHCGCD-SECBINFHSA-N	291.706	1.764	10	20	CDCD	
CCN(C[C@@H](O)C(F)(F)F)C(=O)c1cc(O)cs1	779445468	YZRGKMOTXKAGNG-MRVPVSSYSA-N	283.271	1.839	10	20	CDCD	
COCCOCC(=O)N[C@H](C)c1ccc(N(C)C)cc1	773008502	FKSWMHHOOPTAKG-GFCCVEGCSA-N	280.368	1.593	10	20	CDCD	
Cc1cc(O)ccc1NS(=O)(=O)N1CC[C@H](C)C1	777934324	QMUCDDIAGHUGFG-VIFPVBQESA-N	270.354	1.699	10	20	CDCD	
COc1cccc(O)c1CN1CCO[C@H]([C@@H]2CCCO2)C1	770303710	IUCGKXKYANEMED-HOTGVXAUSA-N	293.363	1.781	10	20	CDCD	
CCN1CCN(Cc2ccc(OC)c(OC)c2O)[C@H](C)C1	894405799	MITATDZWNSKBTB-GFCCVEGCSA-N	294.395	1.935	10	20	CDCD	
CC(C)[C@@H](N)CNC(=O)N[C@@H](C)c1ccccc1O	892019501	QIZHYHFZVUSPAT-JQWIXIFHSA-N	265.357	1.736	10	20	CDCD	
CC[C@H](C(=O)NCc1cc(OC)ccc1O)[C@@H](C)O	790070747	FYTPXJJWPFKFSO-SKDRFNHKSA-N	267.325	1.424	10	20	CDCD	
COc1ccc(CNC(=O)[C@@H](NC(C)=O)C(C)C)c(O)c1	794372720	COVSRSMUYHMGSZ-AWEZNQCLSA-N	294.351	1.178	10	20	CDCD	
C[C@@H]1CO[C@@H](CO)CN1Cc1c(O)ccc(Cl)c1F	792173062	QDJACLMNPSTQAW-RKDXNWHRSA-N	289.734	1.766	10	20	CDCD	
O=C(CCNCc1ccccc1O)N1CCCCC1	134492335	IAAYPIGDBVSPRH-UHFFFAOYSA-N	262.353	1.884	10	20	CDCD	
CCOC(CCNC(=O)c1cccc(O)c1O)OCC	276165251	FHHSGPOHQOHLMZ-UHFFFAOYSA-N	283.324	1.617	10	20	CDCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NC[C@]1(O)CCN(C)C1	1320514176	OSSWJTQQXMPPEV-IIYDPXPESA-N	290.407	1.905	10	20	CDCD	
COCC1(NC(=O)NCc2ccc(N)cc2)CCC1	1335738069	VSLXHZPTPRYWMF-UHFFFAOYSA-N	263.341	1.637	10	20	CDCD	
CC1(C)CN(C(=O)NCc2ccc(N)cc2)CC[C@@H]1O	1262603243	BUEHWDCVYKVEEC-ZDUSSCGKSA-N	277.368	1.571	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@H]1COC(=O)C1	1342892513	HPBIOOXZBXLBGL-GXSJLCMTSA-N	293.319	1.098	10	20	CDCD	
C[C@@H]1[C@@H](C(=O)O)CCN1C(=O)NCCc1ccc(N)cc1	1594148690	DILDGSBENWYCBS-MFKMUULPSA-N	291.351	1.316	10	20	CDCD	
CO[C@@H](C)[C@H](C)N[C@H](C)c1cccc(-c2nn[nH]n2)c1O	1591323933	GMKMCCCSFZLUIB-AEJSXWLSSA-N	291.355	1.646	10	20	CDCD	
C[C@@H]1C[C@@H]1[C@H](NCc1ccc(N(C)C)cc1)C(=O)O	1776602871	CIDAUGVTHXTWLC-SWHYSGLUSA-N	262.353	1.951	10	20	CDCD	
Oc1ccc(F)cc1CN1CCN([C@@H]2CCOC2)CC1	827118632	DOWVMNKVVXOJNW-CQSZACIVSA-N	280.343	1.438	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@@]1(C)CCCNC1	62857678	MORKBIAEODMVOI-HNNXBMFYSA-N	262.353	1.740	10	20	CDCD	
CCC[C@@H]1CN(C(=O)Cc2ccc(N)cc2)CCO1	709060634	CATZXLZWKQSVQP-CQSZACIVSA-N	262.353	1.839	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC[C@@H]2CCN2C)c1	712537519	ZRHPNNVVZXMBRC-QWRGUYRKSA-N	250.342	1.756	10	20	CDCD	
Cc1ccc(O)c(CNC[C@@H]2CCCCS2(=O)=O)c1	694515212	NDVQUJFISVKZSX-ZDUSSCGKSA-N	283.393	1.758	10	20	CDCD	
CO[C@@H]1CCCC[C@@H]1NC(=O)Cc1ccc(N)cc1	269228475	NRUYHJVDWGBFQG-UONOGXRCSA-N	262.353	1.885	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC1CC1	115347358	ZKHLHAXKHOPQLL-UHFFFAOYSA-N	289.379	1.380	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)[C@H](C)NC(N)=O	170732253	UGYQDTGYQKVUOU-JTQLQIEISA-N	279.340	1.188	10	20	CDCD	
COc1cc(O)c(CN2CCN(C(C)=O)CC2)cc1OC	183460570	PQBSHQNLYHTLDF-UHFFFAOYSA-N	294.351	1.074	10	20	CDCD	
COc1cc(O)c(CN2CCC[C@H](O)C2)cc1OC	183469399	PTGGTPSRYRHFEK-NSHDSACASA-N	267.325	1.366	10	20	CDCD	
COC(=O)[C@@H]1[C@@H](O)CCCN1Cc1cccc(Cl)c1O	188785574	UDIHKEIHLODYRR-RYUDHWBXSA-N	299.754	1.544	10	20	CDCD	
COCCN(CC(F)F)C(=O)c1cccc(O)c1O	187073556	FSCOYDIRZDBXPT-UHFFFAOYSA-N	275.251	1.452	10	20	CDCD	
Nc1ccc(NC(=O)CCNC(=O)Cc2ccccc2)cc1	238136283	ORIUYDTWUCSUPZ-UHFFFAOYSA-N	297.358	1.956	10	20	CDCD	
COc1ccc(N2CCCN(C(=O)CCN)CC2)cc1	237279614	KQWIVHKWDYYQHM-UHFFFAOYSA-N	277.368	1.083	10	20	CDCD	
CCN(CC)c1ccc(CN2C[C@H](O)[C@H](O)C2)cc1F	93483625	IZTOYJAMFRUJGT-GASCZTMLSA-N	282.359	1.209	10	20	CDCD	
COc1ccc(O)c(CN2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)c1	364972809	LMVKYLSWDGQPGL-ZBINZKHDSA-N	290.363	1.487	10	20	CDCD	
CCc1cc(C(=O)NCCc2ccc(N)cc2)n[nH]1	262585440	VARMOGVENQFEKH-UHFFFAOYSA-N	258.325	1.527	10	20	CDCD	
Cc1ccc([C@@H](C)N[C@@H]2CC(=O)N(C)C2)c(O)c1C	273578098	MDVGDMLHNYJAIR-VXGBXAGGSA-N	262.353	1.890	10	20	CDCD	
C[C@@H]1[C@@H](C)[S@@](=O)CCN1Cc1ccccc1O	271440301	RUVXVDAEBGLWBL-AGKHESDQSA-N	253.367	1.734	10	20	CDCD	
CC(=O)C(=O)COC(=O)CSCc1ccc(F)cc1	808485121	NTFFXWYDBFUQAU-UHFFFAOYSA-N	284.308	1.760	10	20	CDCD	
COc1ccc(O)c(CN2CC[C@H](O)C[C@@H]2C)c1	292815936	PHTCXEHROAGXBF-JQWIXIFHSA-N	251.326	1.746	10	20	CDCD	
CCOc1ccc(N(CC)CCN2C(=O)CNC2=O)cc1	299354007	BZMRTUWOLWJFNG-UHFFFAOYSA-N	291.351	1.463	10	20	CDCD	
Cc1ccc(C(=O)N2C[C@H](C)N(C)[C@H](C)C2)c(O)c1O	293914852	GJIOVRLIBREXDA-PHIMTYICSA-N	278.352	1.571	10	20	CDCD	
COc1cccc(O)c1CN1C[C@H](CO)OC(C)(C)C1	817412356	JDCZQJXRGZYMEC-LLVKDONJSA-N	281.352	1.373	10	20	CDCD	
CC[C@H]1CN(C)CCN1C(=O)c1cccc(O)c1O	818972849	ZPVCJIXUHVDAJR-JTQLQIEISA-N	264.325	1.264	10	20	CDCD	
COc1ccc(CNC(=O)[C@H](N)C2CCC2)c(O)c1	818000424	QOCQZGKBGZNIML-CYBMUJFWSA-N	264.325	1.144	10	20	CDCD	
CN(C)c1ccc(CNCC2(CC(N)=O)CC2)cc1F	817411267	OKCBOGDUCCRVEZ-UHFFFAOYSA-N	279.359	1.637	10	20	CDCD	
CCCCC[C@H](O)C(=O)NCCc1ccc(O)c(O)c1	827294647	KIDBXXULKRHAGN-ZDUSSCGKSA-N	281.352	1.698	10	20	CDCD	
C[C@@H](NC(=O)CCc1cnn(C)c1)c1ccccc1O	827930327	GTFWRBNETBHEKC-LLVKDONJSA-N	273.336	1.936	10	20	CDCD	
Oc1ccc(Cl)c(F)c1CN1CCc2nn[nH]c2C1	827884473	CJTMLFAEXJUTJB-UHFFFAOYSA-N	282.706	1.861	10	20	CDCD	
COc1cccc(O)c1CN1CC[C@H](OC(=O)N(C)C)C1	824576164	BNWSMXUKWWTBHX-NSHDSACASA-N	294.351	1.673	10	20	CDCD	
COC(=O)[C@H]1C[C@@H](NCc2ccc3c(c2)CCO3)C1	827501158	SGPJPZWZEFVEAE-BETUJISGSA-N	261.321	1.663	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)O[C@@H]1CCOC1	837587969	NGWLHYVKMUTHMJ-WUWIAWFRSA-N	250.250	1.443	10	20	CDCD	
CN(Cc1ccc(Br)cc1O)C1CNC1	701089739	CZTHROHXXHIIRM-UHFFFAOYSA-N	271.158	1.558	10	20	CDCD	
O=C(NCC1(C(=O)O)CCCC1)c1cc(O)cs1	833134835	JUCKFPOPCYWNGP-UHFFFAOYSA-N	269.322	1.829	10	20	CDCD	
COCC1CN(C(=O)/C=C/c2ccc(O)c(O)c2)C1	911965437	KYICVOQIOQMFPF-HWKANZROSA-N	263.293	1.216	10	20	CDCD	
CCc1nn(C)cc1CNCCc1ccc(N)cc1	841035927	QKEURRTWDVWFJY-UHFFFAOYSA-N	258.369	1.897	10	20	CDCD	
CCn1ncc(/C=C2\SC(N3CCCCC3)=NC2=O)n1	840731896	ABNWWEXGOYOGLV-FLIBITNWSA-N	291.380	1.754	10	20	CDCD	
O=C(Cc1ccc2c(c1)OCO2)NCc1ccccc1O	748345955	SKSAVMOZVYHFLV-UHFFFAOYSA-N	285.299	1.980	10	20	CDCD	
COc1cccc(O)c1CN[C@@H]1CCN[C@@H](C)C1	841060699	BEFWWYHPLIDZAR-WDEREUQCSA-N	250.342	1.631	10	20	CDCD	
C[C@@H]1CCCN(Cc2cc3c(cc2O)OCO3)[C@@H]1CN	843052200	PCFGBJYNQUGFJY-ZYHUDNBSSA-N	278.352	1.680	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCO[C@H](C(F)(F)F)C1	740127677	FURGBIBILYAYSQ-QMMMGPOBSA-N	281.255	1.857	10	20	CDCD	
COCCC(C)(C)NC(=O)NCCc1ccc(N)cc1	841960321	MPESSUCVPMHUOB-UHFFFAOYSA-N	279.384	1.926	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1CCOC1	759596876	WCUXUHPVHLAAON-FWEMWIAWSA-N	264.277	1.691	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)NCC2(CO)CC2)c1	756637721	OZGLYQDJALPAQA-JTQLQIEISA-N	279.336	1.602	10	20	CDCD	
C[C@H](NC[C@H](C)S(C)(=O)=O)c1ccc(N(C)C)cc1	697603382	HVSOZVQCFFEXRG-RYUDHWBXSA-N	284.425	1.836	10	20	CDCD	
Cc1ccc(C(=O)NCc2ccc(O)c(O)c2)c(O)n1	768917328	JRUBFTZYWVCBJE-UHFFFAOYSA-N	274.276	1.437	10	20	CDCD	
CNC(=O)[C@H]1CCCN(Cc2ccc(C)cc2O)C1	876728589	QHFJESZQUBVKJP-ZDUSSCGKSA-N	262.353	1.659	10	20	CDCD	
C[C@H]1CN(C(=O)CN[C@H](C)c2ccccc2O)C[C@H](C)O1	879647577	FCRLGEQUFJBEJR-RWMBFGLXSA-N	292.379	1.679	10	20	CDCD	
Cc1nc([C@@H](C)NC(=O)N(C)Cc2ccccc2O)no1	1117487314	NQRCJTFMCTVLDM-SECBINFHSA-N	290.323	1.986	10	20	CDCD	
CC(C)(CO)N1CCN(Cc2cccc(Cl)c2O)CC1	775702460	AGXRLSPUHKGZSB-UHFFFAOYSA-N	298.814	1.934	10	20	CDCD	
COc1ccc(O)c(CN2CCN(C)[C@@H](C)[C@@H]2C)c1	775986172	PKPFTNUQWNXEDB-RYUDHWBXSA-N	264.369	1.925	10	20	CDCD	
C[C@@H](NC(=O)CN1CCOCC1)c1ccc(N(C)C)cc1	775403435	IWNRCLGAJSODPX-CYBMUJFWSA-N	291.395	1.262	10	20	CDCD	
CCOc1ccc(CNCC(=O)N(C)CC)c(O)c1	775362198	JXKZMNOVDMJFCC-UHFFFAOYSA-N	266.341	1.359	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[C@H](CCO)C1	779534475	GIDFXAXNXOUNPW-DIECRNLCSA-N	291.347	1.732	10	20	CDCD	
CCn1cnnc1CCN[C@@H](C)c1ccccc1O	783522431	NUBFAWKVUUGCCF-NSHDSACASA-N	260.341	1.897	10	20	CDCD	
C[C@@H](N[C@@H]1COCC[C@H]1O)c1c(O)cccc1F	886646745	RYFDPXWLBTUKDC-FBIMIBRVSA-N	255.289	1.332	10	20	CDCD	
C[C@H](CO)[C@@H]1CCCCN1C(=O)NCc1ccc(N)cc1	1120676782	CFVUAMVFHPPSAC-DOMZBBRYSA-N	291.395	1.961	10	20	CDCD	
COc1ccc(CN2CCO[C@@H](OC)C2)c(O)c1OC	895963861	KPPQBPCXIHGILJ-GFCCVEGCSA-N	283.324	1.214	10	20	CDCD	
CNC(=O)C(C)(C)CNCc1cc(C)cc(OC)c1O	894359210	OHUIGASYJSKVCN-UHFFFAOYSA-N	280.368	1.571	10	20	CDCD	
CCn1cc(CN(C)C(=O)c2ccc(C)c(O)c2O)cn1	780936352	AXCZWGHBSJTYBG-UHFFFAOYSA-N	289.335	1.895	10	20	CDCD	
CC[C@@H]1CN(Cc2cc(F)cc(F)c2O)C[C@@H]1O	894094086	JIEZBCLOZDCZCD-PELKAZGASA-N	257.280	1.873	10	20	CDCD	
CC1(O)CN(Cc2ccc(N3CCOCC3)cc2)C1	1138496989	WTVLMOHXJHPTDJ-UHFFFAOYSA-N	262.353	1.090	10	20	CDCD	
C[C@@H]1CCN(CCNC(=O)N(C)Cc2ccccc2O)C1	897427954	BJCGOOUKOPFPGV-CYBMUJFWSA-N	291.395	1.875	10	20	CDCD	
Cn1c(Sc2nccs2)nnc1[C@H]1CCCNC1	892583694	YBNXPPAFJPGFEA-QMMMGPOBSA-N	281.410	1.890	10	20	CDCD	
NC(=O)[C@H]1CCCN(Cc2cc(F)cc(F)c2O)C1	893863771	NTXLOHXMFMQEPC-QMMMGPOBSA-N	270.279	1.368	10	20	CDCD	
CCCN(Cc1ccccc1O)[C@@H]1CCC(=O)NC1=O	799125970	VZZTYRVAZNTZRX-GFCCVEGCSA-N	276.336	1.409	10	20	CDCD	
COC[C@@H](NCc1ccc2c(c1)CCCO2)C(=O)O	1333893092	OEWFYDARUKJRLR-GFCCVEGCSA-N	265.309	1.201	10	20	CDCD	
COc1cccc(O)c1CN1CC[C@@H]2NC(=O)OC[C@H]2C1	798958688	IDWBMQQBJBQDHN-PWSUYJOCSA-N	292.335	1.331	10	20	CDCD	
COc1ccc(O)c(CN(C)Cc2nccn2C)c1	134107638	ZVHOFPWUMRWDBS-UHFFFAOYSA-N	261.325	1.766	10	20	CDCD	
CSCC[C@H](O)C(=O)N(C)Cc1ccc(N(C)C)cc1	276588914	KFCYNBWOWOFVBU-AWEZNQCLSA-N	296.436	1.825	10	20	CDCD	
CC[C@H](C)[C@H](NC(=O)Cc1ccc(N)cc1)C(=O)O	40472385	SWWFIXGRPKOOBT-ZANVPECISA-N	264.325	1.427	10	20	CDCD	
C[C@H](N[C@H]1CCCCNC1=O)c1cc(F)ccc1O	94617263	NPTJOIUWQJREFA-CABZTGNLSA-N	266.316	1.851	10	20	CDCD	
CN(Cc1c(O)cccc1Cl)C[C@@H]1COCCO1	827140891	OBZPIMMMFBVMTJ-SNVBAGLBSA-N	271.744	1.893	10	20	CDCD	
Cc1cc(O)c(CN2C[C@@H](C(=O)O)C[C@@H](O)C2)cc1Cl	1607698757	FFNAHQQYLQFSDG-WDEREUQCSA-N	299.754	1.621	10	20	CDCD	
COCC[C@H](N)CNCc1ccc(N(C)C)cc1C	1579003825	LVRXDZAIEGEDOL-AWEZNQCLSA-N	265.401	1.514	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CCN[C@@H]1C	1579617995	XZKDRTZJWTWESG-DOMZBBRYSA-N	290.411	1.611	10	20	CDCD	
Cc1cc(CNC(=O)C2(O)CNC2)c(C)n1-c1ccccc1	1574134629	MJBXILKKJDXLRH-UHFFFAOYSA-N	299.374	1.045	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2cc(C(=O)O)ccn2)cc1	1598320371	AOAHSQXYELECOO-UHFFFAOYSA-N	299.330	1.776	10	20	CDCD	
CC[C@H](NCc1cc([N+](=O)[O-])ccc1O)C(=O)O	1776722014	QQOBOSJMXRRBJT-VIFPVBQESA-N	254.242	1.253	10	20	CDCD	
COc1cccc(O)c1CNC[C@H](C)CCCO	824603692	XZVPZKSPUFJAAF-LLVKDONJSA-N	253.342	1.899	10	20	CDCD	
CCCN1CCN(C(=O)Nc2ccc(N)cc2)CC1	35407985	PVRBJWQSRBRRDM-UHFFFAOYSA-N	262.357	1.828	10	20	CDCD	
COc1ccc(O)c(CN[C@H]2CCN(C3CC3)C2)c1	44685551	GZEXWFYPJJPVME-LBPRGKRZSA-N	262.353	1.727	10	20	CDCD	
COc1ccc(O)c(CN(C)C[C@H]2CCOC2)c1	180624403	YZXHCYCTRSSINS-LLVKDONJSA-N	251.326	1.869	10	20	CDCD	
CC(C)(CN1CCOCC1)NCc1ccccc1O	308639345	JKULFDNGXJVGLQ-UHFFFAOYSA-N	264.369	1.593	10	20	CDCD	
COC(=O)CN(Cc1cc(OC)ccc1O)C(C)C	179743708	IXWYBPSPGUNJID-UHFFFAOYSA-N	267.325	1.784	10	20	CDCD	
COCCC(=O)NCc1ccc(N(C)C)cc1C	115279801	KPQNGLWDVBZIPJ-UHFFFAOYSA-N	250.342	1.714	10	20	CDCD	
CC(=O)NC[C@H]1CN(Cc2cc(Cl)ccc2O)CCO1	179712131	SIRFZNJKHSIGGK-ZDUSSCGKSA-N	298.770	1.383	10	20	CDCD	
C[C@@H](CN[C@H](C)c1ccccc1O)N1CCN(C)CC1	183496252	GBZVBGLZJFEGNF-UONOGXRCSA-N	277.412	1.679	10	20	CDCD	
Cc1[nH]ncc1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	186427428	VDNFNIXXJUAQGN-QMMMGPOBSA-N	275.308	1.490	10	20	CDCD	
COc1ccc(O)c([C@H](C)NCC(F)(F)CO)c1	184694476	WNWRAURQZQJMJT-QMMMGPOBSA-N	261.268	1.679	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CCc2cncn2C)cc1	188458256	UGUBRQQECQMGOE-UHFFFAOYSA-N	286.379	1.735	10	20	CDCD	
CN(C)C(=O)CCNCc1c(O)cccc1Cl	83552332	WXCOYXVWWLIXHL-UHFFFAOYSA-N	256.733	1.614	10	20	CDCD	
CCOC[C@@H]1CN(C(=O)c2ccc(C)c(O)c2O)CCO1	529899940	WQUMXYFCZZEFGG-NSHDSACASA-N	295.335	1.284	10	20	CDCD	
O=C1CO[C@H]2CCN(Cc3cccc(Cl)c3O)C[C@@H]2N1	366774111	LHKYPXVQCSBNNZ-RYUDHWBXSA-N	296.754	1.135	10	20	CDCD	
Cc1cccc(CN2CCN([C@@H]3CCC[C@@H]3O)CC2)c1O	362048111	VLTYXBHZVDDIRU-CVEARBPZSA-N	290.407	1.732	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CCO[C@H]2CCC[C@H]21	272480800	QPQSUEHXMUKYBK-VQOXYXNASA-N	289.331	1.891	10	20	CDCD	
CN1CC[C@@H]2CCN(C(=O)c3cccc(O)c3O)[C@H]2C1	279891818	SUOFWVGCOWUDMQ-PWSUYJOCSA-N	276.336	1.264	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)NC[C@H]2CCOC2)c1	273433944	WMTZTUYCVAQNLN-WDEREUQCSA-N	279.336	1.866	10	20	CDCD	
Cc1ccc(C(=O)N[C@H]2CCO[C@H](C)C2)c(O)c1O	272962139	JSUIOFLQRYRPSV-ZJUUUORDSA-N	265.309	1.704	10	20	CDCD	
CC1CCN(CCNC(=O)c2c(F)ccc(O)c2O)CC1	276576125	NXYFZDCOGAAYLX-UHFFFAOYSA-N	296.342	1.699	10	20	CDCD	
Cc1ccc(C(=O)NCC2([C@H](O)C(C)C)CC2)c(O)c1O	272937929	GZWVNRLZYSUXOQ-CQSZACIVSA-N	293.363	1.933	10	20	CDCD	
COCC1(NC(=O)/C=C/c2ccc(O)c(O)c2)CCC1	285787687	OJBILUHHUWGWMX-GQCTYLIASA-N	277.320	1.796	10	20	CDCD	
O=C(O)c1ccc2c(c1)CN(C(=O)c1cccc(O)c1O)C2	388255641	AFUDSQZQVQKIIU-UHFFFAOYSA-N	299.282	1.952	10	20	CDCD	
C[C@H](C(=O)O)N(C)Cc1cc(Cl)cc([N+](=O)[O-])c1O	819889427	OEZCKIMDNZLYJV-ZCFIWIBFSA-N	288.687	1.859	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)N[C@H]2CCNC2)c1	817944795	MJYCFTBHWYCJGF-KOLCDFICSA-N	264.325	1.191	10	20	CDCD	
C[C@@H](NC(=O)CN1CCOC1=O)c1ccc(N(C)C)cc1	822083232	UOXVCSIXNARFKQ-LLVKDONJSA-N	291.351	1.382	10	20	CDCD	
O=C(NCCCCn1ccnc1)c1c(F)ccc(O)c1O	825517089	MDDQVIBCCQMCRD-UHFFFAOYSA-N	293.298	1.644	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)CC2CCNCC2)c1	828666818	JBNQPUDWITZZLM-LLVKDONJSA-N	292.379	1.968	10	20	CDCD	
COc1ccc(O)c(CNC(=O)NCCCC(=O)O)c1	738044112	KABGUEMERPKMBJ-UHFFFAOYSA-N	282.296	1.065	10	20	CDCD	
CC[C@H](NC(=O)c1c(F)ccc(O)c1O)[C@H](C)O	839783416	YYRHWOZGECTTBT-XPUUQOCRSA-N	257.261	1.126	10	20	CDCD	
COc1ncccc1CNC(=O)c1cc(O)cs1	732267555	KJKDSHVQCUCKGA-UHFFFAOYSA-N	264.306	1.787	10	20	CDCD	
Cc1cc(CN(C)c2ccc(OCC(=O)O)cc2)n(C)n1	902014936	ANAZRIPWFNEHEM-UHFFFAOYSA-N	289.335	1.828	10	20	CDCD	
CC(C)[C@H](CO)CNC(=O)c1c(F)ccc(O)c1O	832001917	XKBZVXMOMQEVSA-QMMMGPOBSA-N	271.288	1.231	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)c1cnnc(O)c1	830147789	YBEBJIWTOSUUDG-UHFFFAOYSA-N	287.319	1.940	10	20	CDCD	
C[C@@H]1O[C@H](C)C[C@H]1CNC(=O)c1cc(O)cs1	839852444	VSWDYBMGMBJUMU-VGMNWLOBSA-N	255.339	1.997	10	20	CDCD	
CO[C@@H]1COC[C@@H]1NCc1ccc(N(C)C)c(F)c1	839193086	OLFSIHHUZINUTN-GXTWGEPZSA-N	268.332	1.395	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)[C@@H](O)C1CCCCC1	910947751	LXFYGVDYNSVSAU-AWEZNQCLSA-N	279.336	1.655	10	20	CDCD	
CNC(=O)NC(=O)CCSc1ncc(Cl)s1	849999617	UZFQUPBXUSDCIB-UHFFFAOYSA-N	279.774	1.734	10	20	CDCD	
NC[C@H]1CCCC[C@H]1NC(=O)NCCc1ccc(N)cc1	841952008	YVPNTYYMPQFUNG-UKRRQHHQSA-N	290.411	1.628	10	20	CDCD	
CC(=O)CN(Cc1ccccc1O)C[C@@H]1CCCO1	916645137	SHPJRPXVNDGCBO-AWEZNQCLSA-N	263.337	1.962	10	20	CDCD	
COc1ccc(N(C)CCN(C)C(=O)N[C@@H](C)CN)cc1	846173802	UAMGDRXDWXRTOM-LBPRGKRZSA-N	294.399	1.120	10	20	CDCD	
Cc1cc(Br)cc(CN[C@H](C)CN)c1O	841059442	DOSGHIYPYFKWDV-MRVPVSSYSA-N	273.174	1.900	10	20	CDCD	
CCOCCOCCNC(=O)N(C)Cc1ccccc1O	927528941	NDAILJHFKNIEFX-UHFFFAOYSA-N	296.367	1.587	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2CC[C@H](CN)C2)c1O	843048225	CIURSHGWGOPEJN-SECBINFHSA-N	281.312	1.090	10	20	CDCD	
CN(C)c1ccc(CN2CCCO[C@H](CN)C2)cc1F	841101204	RRKIQKNWDOPNAK-CYBMUJFWSA-N	281.375	1.441	10	20	CDCD	
CO[C@@H](CS(=O)(=O)Nc1ccc(O)cc1)C(C)C	842573440	KBECJGZZGVMGFC-LBPRGKRZSA-N	273.354	1.805	10	20	CDCD	
CC[C@H](CO)C(=O)NCc1cc(Cl)ccc1O	846472868	GKFZGLJEUBVBAM-MRVPVSSYSA-N	257.717	1.680	10	20	CDCD	
CONC(=O)CNCc1ccc(N2CCCCC2)cc1	922830239	PQOXRIJVUSMGKS-UHFFFAOYSA-N	277.368	1.444	10	20	CDCD	
COc1ccc(N2CCCN(CC[N+](=O)[O-])CC2)cc1	929316459	QQWRUXNSHLKKLU-UHFFFAOYSA-N	279.340	1.484	10	20	CDCD	
COC1CCN(C(=O)c2ccc(C)c(O)c2O)CC1	751533821	SHJQETZCSPPTSR-UHFFFAOYSA-N	265.309	1.657	10	20	CDCD	
Cn1ccc(CCNC(=O)/C=C\c2ccc(O)c(O)c2)n1	760966139	HMPVRYUIMXVHCW-HYXAFXHYSA-N	287.319	1.203	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)Cc2cc(C)on2)c1	862760984	YWXBNHOTTDUBHC-UHFFFAOYSA-N	260.293	1.856	10	20	CDCD	
O=C(OCC(=O)[C@@H]1CCCOC1)c1cc(O)cs1	769104192	VRIISHZSUWSUQG-MRVPVSSYSA-N	270.306	1.606	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)NCCC1CC(O)C1	762717188	NFTODNGQOQEPBM-RQOWECAXSA-N	277.320	1.388	10	20	CDCD	
CCc1cc(CNC(=O)/C=C\c2ccc(O)c(O)c2)on1	779521821	UZMFBWGCMZLEHL-XQRVVYSFSA-N	288.303	1.978	10	20	CDCD	
C[C@@H](NC(=O)N1CCC(O)CC1)c1ccc(N(C)C)cc1	776249365	NLEFLHJVVPPGKG-GFCCVEGCSA-N	291.395	1.980	10	20	CDCD	
Cc1cccc(O)c1CNC[C@@H](O)COCC1CC1	877000182	LGYGKGVSKUWILO-CYBMUJFWSA-N	265.353	1.578	10	20	CDCD	
C[C@@H](NCCN1C(=O)NC(C)(C)C1=O)c1ccccc1O	879650001	XBXGQXRLNDSMJS-SNVBAGLBSA-N	291.351	1.373	10	20	CDCD	
O=C(Nc1c(Cl)ccc2nonc12)[C@H]1COCCO1	1116850404	MMDTYFXGMCGAIQ-MRVPVSSYSA-N	283.671	1.230	10	20	CDCD	
COc1cccc(CNc2nccn3c(C)nnc23)c1O	774525051	XMNOLUBVFPMPSB-UHFFFAOYSA-N	285.307	1.759	10	20	CDCD	
CN(Cc1ccc(N2CCC(O)CC2)cc1)CC(C)(C)O	876735982	CWVMBXUXFOJCFV-UHFFFAOYSA-N	292.423	1.850	10	20	CDCD	
CCN(C[C@@H]1CCOC1)C(=O)/C=C/c1ccc(O)c(O)c1	779499543	NBWWLNCJKMZEFB-BPJJOFIESA-N	291.347	1.996	10	20	CDCD	
Cc1cnc(CNC(=O)/C=C/c2ccc(O)c(O)c2)o1	779525036	HQBVWZWFERURAM-HWKANZROSA-N	274.276	1.724	10	20	CDCD	
CCN(C)C(=O)CN[C@@H](C)c1cc(F)cc(F)c1O	775586248	KFSNLUMBWHSOEX-QMMMGPOBSA-N	272.295	1.799	10	20	CDCD	
C[C@@H](NC[C@@H](O)CN(C)C)c1c(O)cccc1F	886524335	ISLXPONXEYVKGQ-NXEZZACHSA-N	256.321	1.104	10	20	CDCD	
Nc1ccc(CNC(=O)N[C@@H]2CCC[C@@H]2CCO)cc1	1120617896	IOFSVALNXPVORT-TZMCWYRMSA-N	277.368	1.619	10	20	CDCD	
C[C@H](NC[C@H]1CNC(=O)C1)c1c(O)cccc1F	886625215	LBSXPUWAEKVQMU-IUCAKERBSA-N	252.289	1.318	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)c1cccc(O)n1	786408242	GVFSLTVMFBWKFA-UHFFFAOYSA-N	260.249	1.128	10	20	CDCD	
C[C@H]1C[C@@H](C(=O)NCc2cccc(O)c2O)CO1	1352657853	NKDSJTRBIPFDFG-WCBMZHEXSA-N	251.282	1.139	10	20	CDCD	
COCCN1CC[C@H](NCc2ccc(N(C)C)cc2C)C1	784548889	KUEJQSZQLJKIHE-INIZCTEOSA-N	291.439	1.871	10	20	CDCD	
CCN1CCN(Cc2ccc(OC)c(OC)c2O)C[C@@H]1C	891991782	HTTBXHGDQMDLIU-LBPRGKRZSA-N	294.395	1.935	10	20	CDCD	
COc1cccc(CN2[C@@H](C)[C@@H](C)N(C)C(=O)[C@H]2C)c1O	895921271	PAUBDVSOZRSLDV-GRYCIOLGSA-N	292.379	1.840	10	20	CDCD	
COc1cc(C)cc(CNC[C@@H]2CC(C)=NO2)c1O	895299689	MMRYWLOHLOXZLK-LBPRGKRZSA-N	264.325	1.964	10	20	CDCD	
CN1CC[C@](O)(CNCc2cc(Cl)ccc2O)C1	702603887	ONAFPZNDDTWMAW-ZDUSSCGKSA-N	270.760	1.202	10	20	CDCD	
COc1ccc(O)c([C@H](C)NCCN2CCOC2=O)c1	775375579	NODFYWSOFHOPMS-JTQLQIEISA-N	280.324	1.504	10	20	CDCD	
C[C@@H]1C[C@@H](C(=O)NCc2cccc(O)c2O)[C@@H](C)O1	1352672995	ZGZWEHIQLGYNKU-FXPVBKGRSA-N	265.309	1.528	10	20	CDCD	
O=C(O)CC(=O)NCc1c(O)ccc2c1CCCC2	1601888541	KXZNXRJWAIEUCZ-UHFFFAOYSA-N	263.293	1.362	10	20	CDCD	
O=C(O)c1cncc(NCc2c(O)cccc2F)n1	1602539797	FXVJBBGZERWROK-UHFFFAOYSA-N	263.228	1.632	10	20	CDCD	
CNCCCNC(=O)NCc1cccc(Cl)c1O	1578686776	IUDLDHWXJJDJFL-UHFFFAOYSA-N	271.748	1.454	10	20	CDCD	
CN(Cc1ccccc1O)Cc1ccncc1-c1nn[nH]n1	1579262756	JVUOROOEKXWGGE-UHFFFAOYSA-N	296.334	1.599	10	20	CDCD	
C[C@H](NC[C@H]1C[C@@]2(CCNC2)CO1)c1ccccc1O	1579485820	RPRQEQMYFBZSBV-WOSRLPQWSA-N	276.380	1.811	10	20	CDCD	
C[C@@]1(NCc2c(O)cccc2Br)CCNC1	1576545383	LDZKAXOSNILKRM-GFCCVEGCSA-N	285.185	1.996	10	20	CDCD	
Cc1nc(N[C@@H](C)c2ccccc2O)cc(-c2nn[nH]n2)n1	1581526448	BBHGLJKVPMHLMW-QMMMGPOBSA-N	297.322	1.844	10	20	CDCD	
CC[C@H](N[C@H](C)c1cc(OC)ccc1O)C(=O)O	1593623342	WBDHNHHARBPLNK-KCJUWKMLSA-N	253.298	1.915	10	20	CDCD	
OC[C@H]1CCCN(Cc2cc3c(cc2O)OCO3)C1	154573668	UIJNPTSTSYGWGZ-JTQLQIEISA-N	265.309	1.325	10	20	CDCD	
CNCCC1CCN(C(=O)Cc2ccc(N)cc2)CC1	834423254	DCHQXSFDSDAQHU-UHFFFAOYSA-N	275.396	1.659	10	20	CDCD	
Nc1ccc(CN2CC(=O)N[C@@H]3CCCC[C@H]32)cc1	1120263957	XUIUNFQIOURBDS-ZIAGYGMSSA-N	259.353	1.512	10	20	CDCD	
CCc1cccc(CN2CC[C@H](CS(C)(=O)=O)C2)c1O	848913362	UZIRFQQRVTXSEN-LBPRGKRZSA-N	297.420	1.821	10	20	CDCD	
CN(C)c1ccc(CN2CC[C@](CF)(C(=O)O)C2)cc1	1777039434	LVZSOFRXEVPLCJ-OAHLLOKOSA-N	280.343	1.999	10	20	CDCD	
COc1cccc(O)c1CN(C)C[C@@H](C)C(=O)O	1594131839	QEDYVKQBAVGLHJ-SECBINFHSA-N	253.298	1.553	10	20	CDCD	
Oc1ccc(F)cc1CN[C@@H]1CCN(C2CC2)C1	226607471	WZFNLTKYVWYAFW-GFCCVEGCSA-N	250.317	1.858	10	20	CDCD	
C[C@@H](N)[C@@H](C)C(=O)N(C)Cc1ccc(N(C)C)cc1	156540875	FEOQWTPXZOAUPW-VXGBXAGGSA-N	263.385	1.694	10	20	CDCD	
CC[C@@H](NCC(=O)N1CCOCC1)c1ccccc1O	183342822	NTDHQTZFHUAMRP-CYBMUJFWSA-N	278.352	1.292	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCC(F)(F)[C@@H](CO)C1	403627073	YXTCKRYYIZOEQS-MRVPVSSYSA-N	287.262	1.188	10	20	CDCD	
CNC(=O)C[C@@H](C)NCc1cc(OC)ccc1O	323041439	OQMVGSOOGXYXDU-SECBINFHSA-N	252.314	1.015	10	20	CDCD	
COc1ccc(O)c([C@@H](C)N[C@H]2CCNC(=O)CC2)c1	396729236	COTRUJLGIVJINC-GHMZBOCLSA-N	278.352	1.720	10	20	CDCD	
COc1cc(N2CCN(C(C)=O)CC2)cc(OC)c1OC	6022441	MZBUGEQYUNPWRW-UHFFFAOYSA-N	294.351	1.381	10	20	CDCD	
COc1cc(O)c(CN2CCC[C@H]2CO)cc1OC	179843241	HOQBLGXYFYIRCA-NSHDSACASA-N	267.325	1.366	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)c1cccc(F)n1	180736721	XNZDWQIASZUZTG-UHFFFAOYSA-N	262.240	1.562	10	20	CDCD	
C[C@@H](NCCS(C)(=O)=O)c1cc2c(cc1O)CCCC2	185226600	UBLWSPUSPBCXCY-LLVKDONJSA-N	297.420	1.966	10	20	CDCD	
COc1cc(OC)nc(N(C)Cc2ccccc2O)n1	286113780	DSSOPKQWQHRQLS-UHFFFAOYSA-N	275.308	1.836	10	20	CDCD	
Cc1cc(C)c(O)c(CN2CCN(S(C)(=O)=O)CC2)c1	194566829	YNTBVEPTWBABKA-UHFFFAOYSA-N	298.408	1.086	10	20	CDCD	
CCNC(=O)CN(C)c1ccc(OC)cc1OC	132066553	BWZGNUOARICSGR-UHFFFAOYSA-N	252.314	1.276	10	20	CDCD	
COC[C@H](CN[C@H](C)c1ccc(F)c(F)c1O)OC	276916038	LQYIRUMNELVJOQ-BDAKNGLRSA-N	275.295	1.982	10	20	CDCD	
O=C(NCC1(CCO)CCCC1)c1cccc(O)c1O	279277597	LDSSVKMOVUYVCB-UHFFFAOYSA-N	279.336	1.770	10	20	CDCD	
CC[C@H]1CN(Cc2cc(OC)ccc2O)C[C@@H]1O	272028141	YFOJQEQJGZDGNF-HZMBPMFUSA-N	251.326	1.604	10	20	CDCD	
Cc1ccc(O)c(CN2CCc3n[nH]c(=O)cc3C2)c1	274883986	BYLVLUCEXJAQFP-UHFFFAOYSA-N	271.320	1.342	10	20	CDCD	
CN(C)c1ccc(CNCCN2CCCOCC2)cc1F	289388384	DMXUWGXVDRLOCY-UHFFFAOYSA-N	295.402	1.704	10	20	CDCD	
CN1CC(=O)N[C@@H]1c1cc(Cl)cc([N+](=O)[O-])c1O	298794079	SFNJIBHKAQLWLB-JTQLQIEISA-N	271.660	1.014	10	20	CDCD	
O=[N+]([O-])c1cc(Cl)cc(CN[C@@H]2CC[C@H]2O)c1O	818230208	ARPALNVHZAAORP-PSASIEDQSA-N	272.688	1.567	10	20	CDCD	
C[C@](O)(C(=O)NCc1ccc(O)c(O)c1)C1CCC1	813491629	ZXHNOFGMZQSYDH-CQSZACIVSA-N	265.309	1.265	10	20	CDCD	
CN1CCCc2cc(CNC(=O)CC3(CN)CC3)ccc21	827913650	FPSYKJKUPNOPKW-UHFFFAOYSA-N	287.407	1.814	10	20	CDCD	
CCOC(=O)/C(=C/c1c[nH]c(C(=O)O)c1)c1nccn1C	829817143	BDANXWITBZAJGU-UXBLZVDNSA-N	289.291	1.550	10	20	CDCD	
CNC(=O)CN(C)Cc1ccc(N(C)C)c(F)c1	827868170	XYYGEANDIUQDHT-UHFFFAOYSA-N	253.321	1.070	10	20	CDCD	
Cc1cc(CCNC(=O)CO)c(C)n1-c1ccccc1	822274153	PAXSIUWBYLVHKB-UHFFFAOYSA-N	272.348	1.745	10	20	CDCD	
COC(=O)CC(=O)N[C@H](C)c1ccc(N(C)C)cc1	907494270	XSAWYPKXEMRQAA-SNVBAGLBSA-N	264.325	1.493	10	20	CDCD	
CCCCC[C@H](O)C(=O)NCc1cc(OC)ccc1O	827317458	UQZGLEWVQLUMMW-AWEZNQCLSA-N	281.352	1.958	10	20	CDCD	
CC[C@H](C(=O)N[C@H](C)c1ccccc1O)N(C)C	827937439	WTLPLAVKDLSMPN-ZYHUDNBSSA-N	250.342	1.910	10	20	CDCD	
O=C(OCc1cc(=O)c(O)co1)c1cc(O)cs1	736825751	QAYBFFLVDUDXEG-UHFFFAOYSA-N	268.246	1.470	10	20	CDCD	
COC(=O)CN1CCCc2cc(OC)cc(OC)c21	839654700	PHUZJKIPJXGSRA-UHFFFAOYSA-N	265.309	1.629	10	20	CDCD	
C[C@@H](NC(=O)[C@@H]1[C@H]2CCC(=O)[C@@H]21)c1ccccc1O	913763697	OICHAQZJKUVSNW-ZLBRTTDGSA-N	259.305	1.795	10	20	CDCD	
CN(C[C@H]1CCC[C@@H]1O)C(=O)NCCc1ccc(N)cc1	841956571	CBPCMNGLZMPJCE-HIFRSBDPSA-N	291.395	1.614	10	20	CDCD	
O=C(NCCOCC(F)(F)F)NCc1ccccc1O	748458778	BXXOJPTYJLMFPY-UHFFFAOYSA-N	292.257	1.770	10	20	CDCD	
CCCNC(=O)CCN[C@H](C)c1cccc(OC)c1O	846147657	WZJLZAMSHPQZQB-LLVKDONJSA-N	280.368	1.968	10	20	CDCD	
CN[C@H]1CCCN(C(=O)NCCc2ccc(N)cc2)C1	841955712	KZUKJAMCHRHYFT-AWEZNQCLSA-N	276.384	1.205	10	20	CDCD	
COC(=O)N1CCC[C@@H](NC(=O)Nc2ccc(N)cc2)C1	841301127	BLLIRZLQBLQXTJ-GFCCVEGCSA-N	292.339	1.621	10	20	CDCD	
CCOc1ccc(O)c(CN2CC[C@H]3NCC[C@@H]3C2)c1	843127816	TXVPBGCZLMFSBW-IUODEOHRSA-N	276.380	1.975	10	20	CDCD	
O=C(NCc1cc(Cl)ccc1O)C1(CO)CCOCC1	846476384	LBQRCRGULHGARS-UHFFFAOYSA-N	299.754	1.451	10	20	CDCD	
CN(CC(=O)O)Cc1ccc(Br)cc1O	691412030	BTWBRZIXSODTBF-UHFFFAOYSA-N	274.114	1.671	10	20	CDCD	
CN1CCC(ONC(=O)/C=C\c2ccc(O)c(O)c2)CC1	854358158	QKBADGGISFJHAP-HYXAFXHYSA-N	292.335	1.253	10	20	CDCD	
C[C@@H]1C[C@H](NC(=O)NCc2ccccc2O)CN1C1CC1	753926760	UFYZFBXUSOKODL-YPMHNXCESA-N	289.379	1.817	10	20	CDCD	
CO[C@H](C)CNC(=O)NCc1cc(C)ccc1O	858611651	MNRUFVUXTZRJCY-SNVBAGLBSA-N	252.314	1.535	10	20	CDCD	
CN1CCN(c2ccc(CN3C[C@H]4C[C@@H]4C3)cc2)CC1	862443031	KROQZTGOKZPWNU-HZPDHXFCSA-N	271.408	1.890	10	20	CDCD	
O=C(O)[C@@H]1CCC[C@@H]1NCc1ccc2c(c1)CCO2	864526635	LZQDOSGEYLQSLA-OLZOCXBDSA-N	261.321	1.964	10	20	CDCD	
COCCS(=O)(=O)CCCN(C)c1ccc(N)cc1	863557496	PLNVTXJLUUOSAC-UHFFFAOYSA-N	286.397	1.156	10	20	CDCD	
C[C@@H](NC[C@@H](O)COC[C@@H]1CCCO1)c1ccccc1O	879648763	CSQOIHCSMPWWDU-MCIONIFRSA-N	295.379	1.599	10	20	CDCD	
Cc1ccc(CN2CCC(OCCO)CC2)c(O)c1	876791334	KQIRFSADHILGJH-UHFFFAOYSA-N	265.353	1.674	10	20	CDCD	
Cn1ccc(NCc2ccc(N3CCC(O)CC3)cc2)n1	877085442	UICCGQWZYYNSBU-UHFFFAOYSA-N	286.379	1.993	10	20	CDCD	
CCN(C)c1ccc(CN2CCCN(C(N)=O)CC2)cc1	773748747	RGJAHZJHAXBBFN-UHFFFAOYSA-N	290.411	1.729	10	20	CDCD	
COC(=O)N1CC(N[C@@H](C)c2c(O)cccc2F)C1	886553547	PPGIIXDTQDSJDQ-QMMMGPOBSA-N	268.288	1.633	10	20	CDCD	
C[C@@H](CN1CCOCC1)OC(=O)c1cc(O)cs1	782274047	FSXAGJLXFZNPKH-VIFPVBQESA-N	271.338	1.331	10	20	CDCD	
OC[C@@H](CC1CC1)NCc1cc(F)cc(F)c1O	883075533	DUXWGFBLVUYWDV-LLVKDONJSA-N	257.280	1.921	10	20	CDCD	
COCc1ncsc1C(=O)NCc1ccccc1O	786394917	YRMOIZOYIGKQMY-UHFFFAOYSA-N	278.333	1.925	10	20	CDCD	
C[C@@H](CCNCc1cc([N+](=O)[O-])ccc1O)N(C)C	895297445	MGIFAPBYZIRMLZ-JTQLQIEISA-N	267.329	1.730	10	20	CDCD	
COCCO[C@@H]1CCCN(Cc2ccc(N)cc2)C1	1334773915	AYSVRIIXBRBYOU-OAHLLOKOSA-N	264.369	1.896	10	20	CDCD	
COc1cccc(O)c1CN[C@@H](C)c1n[nH]c(C)n1	894771622	OVOFZSQQAZKWMN-QMMMGPOBSA-N	262.313	1.678	10	20	CDCD	
COC[C@H](C)OC[C@H](O)CN(C)Cc1ccccc1O	278349025	MMYYSWUWWYNZIX-GXTWGEPZSA-N	283.368	1.236	10	20	CDCD	
CN1C[C@H](COC(=O)/C=C\c2ccc(O)c(O)c2)OC1=O	1324492688	YPSZGNXHNKQWDZ-TZGMSPROSA-N	293.275	1.105	10	20	CDCD	
C[C@@H](Cn1ccnc1)NC(=O)NCc1ccc(N)cc1	1336360719	JUIMQQLPFORQQN-NSHDSACASA-N	273.340	1.353	10	20	CDCD	
C[C@@H](CO)c1nnc(N(C)Cc2ccccc2O)n1C	1339542576	VPUXWSAFXVPIQN-JTQLQIEISA-N	276.340	1.253	10	20	CDCD	
CC[C@@H]1COCCN1Cc1cc2c(cc1O)OCO2	96810781	DMWKNFJYTFHQLX-LLVKDONJSA-N	265.309	1.732	10	20	CDCD	
COc1cccc(CNC(=O)[C@H]2CCC[C@H]2OC)c1O	1335820765	OXFFOROPXZLRLM-NWDGAFQWSA-N	279.336	1.832	10	20	CDCD	
Nc1nccc(NCc2ccc(N3CCOCC3)cc2)n1	1262680157	RQEAWIJCVFNSQY-UHFFFAOYSA-N	285.351	1.508	10	20	CDCD	
C/C=C/[C@@H]1CNC[C@H]1C(=O)NCc1c(O)cccc1F	1341122008	ALIIFUNQUDVKBJ-JTNORFRNSA-N	278.327	1.559	10	20	CDCD	
O=C(NCc1c(O)cccc1F)c1cc(C(=O)O)on1	1601530834	XUXTVHSSOJTTBG-UHFFFAOYSA-N	280.211	1.148	10	20	CDCD	
O=C(O)[C@H]1C[C@@H](O)CN1Cc1cc(Cl)c(F)cc1O	1601770785	BRXXYVUEUFJKTM-GMSGAONNSA-N	289.690	1.205	10	20	CDCD	
COC(CN[C@H](C)c1ccc(N2CCOCC2)cc1)OC	162328405	ULDJHNQKSPHMFW-CYBMUJFWSA-N	294.395	1.793	10	20	CDCD	
C[C@H](CCCCO)NC(=O)c1cccc(O)c1O	295850294	SESMDVDQNQRBNO-SECBINFHSA-N	253.298	1.379	10	20	CDCD	
CS(=O)(=O)N1CC[C@H](N[C@@H]2CCc3cccc(O)c32)C1	400252921	OSDPLLRAIWBGSC-NWDGAFQWSA-N	296.392	1.003	10	20	CDCD	
CCc1cc(C(=O)N(C)Cc2ccccc2O)n(C)n1	383911360	FNJDOULBQQHSGA-UHFFFAOYSA-N	273.336	1.960	10	20	CDCD	
CN1CCCc2cc(CNC(=O)c3cc[nH]n3)ccc21	58770168	RUZCRTSDDCVDOM-UHFFFAOYSA-N	270.336	1.722	10	20	CDCD	
CCS(=O)(=O)CC(=O)N(C)Cc1ccc(N(C)C)cc1	52984416	VPSFVLMXCDOOOY-UHFFFAOYSA-N	298.408	1.146	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)c1cc(C(N)=O)cs1	54080663	CQXFXZDVBRHAAF-UHFFFAOYSA-N	290.344	1.825	10	20	CDCD	
C[C@H](C[S@](C)=O)NC(=O)N(C)Cc1ccccc1O	182619902	PIQMWPULVVEAQT-DGIBIBHMSA-N	284.381	1.301	10	20	CDCD	
CC[C@H](O)CN1CCCN(c2ccc(OC)cc2)CC1	363090161	ULAHGWGNDZWANO-HNNXBMFYSA-N	278.396	1.978	10	20	CDCD	
COc1ccc(O)c(CN(CC(=O)O)CC(C)C)c1	86778539	SZUWYFYYSOWVNR-UHFFFAOYSA-N	267.325	1.943	10	20	CDCD	
COC(=O)[C@@]1(F)CCN(Cc2cc(C)ccc2O)C1	93888093	HVETWTOKFNHTBI-CQSZACIVSA-N	267.300	1.788	10	20	CDCD	
COCCN(CC(=O)N(C)C)Cc1cc(C)ccc1O	91774407	UASFKEVLIRFXAS-UHFFFAOYSA-N	280.368	1.237	10	20	CDCD	
CS[C@@H](CO)[C@H](C)NC(=O)c1c(F)ccc(O)c1O	276590351	MZMSBXGSBWMSGW-RCOVLWMOSA-N	289.328	1.079	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H]1CCSC1	279777555	NJBKJCIJOUKUAN-FWEMWIAWSA-N	279.361	1.980	10	20	CDCD	
COc1cccc(CN(C)[C@@H](C)CN2CCOCC2)c1O	279398022	KSYCKFMWWSTQPH-ZDUSSCGKSA-N	294.395	1.553	10	20	CDCD	
C[C@H]1[C@@H](C)N(C(=O)c2cccc(O)c2O)CC[S@@]1=O	279390598	VUSKIZBCAPQFRC-MGOSUKFUSA-N	283.349	1.079	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H]2C[C@@H](O)C2(C)C)c1O	278388509	MQKJSYQOIZZDNU-GHMZBOCLSA-N	296.323	1.558	10	20	CDCD	
CCC(=O)N1CCCN(Cc2cc(F)ccc2O)CC1	378494816	JZCRUFVHAMFRDR-UHFFFAOYSA-N	280.343	1.976	10	20	CDCD	
CN(C)c1ccc(CN2CC(=O)NCC2(C)C)cc1F	282718643	LIMSYRLIJSOOOB-UHFFFAOYSA-N	279.359	1.602	10	20	CDCD	
CCCCN(Cc1ccccc1O)[C@H](C)C(N)=O	282560794	YLGDXABICHGMEZ-LLVKDONJSA-N	250.342	1.868	10	20	CDCD	
CN(C)c1ccc(OCc2nnnn2C2CC2)cc1	289363542	JDEDLWJHMZOATP-UHFFFAOYSA-N	259.313	1.653	10	20	CDCD	
COC[C@H](CO)N[C@@H](C)c1cc2c(cc1O)CCCC2	281003997	NTPMXMZAVHRNPH-FZMZJTMJSA-N	279.380	1.929	10	20	CDCD	
CN(CCOCCO)Cc1ccc(N(C)C)c(F)c1	800545331	NLJMFHWUTKUIHX-UHFFFAOYSA-N	270.348	1.332	10	20	CDCD	
C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1c(F)ccc(O)c1O	295217167	XVSUYAINPCNVCD-KCJUWKMLSA-N	294.326	1.449	10	20	CDCD	
CC(C)(C)C(=O)NCCNC(=O)NCc1ccccc1O	299621682	MQRVHJAHRWUUQY-UHFFFAOYSA-N	293.367	1.354	10	20	CDCD	
CCN(CCOC)C(=O)c1c(F)ccc(O)c1O	294822005	KRCLPQMHCZRMEY-UHFFFAOYSA-N	257.261	1.345	10	20	CDCD	
COC(=O)COc1ccc(N(C)Cc2n[nH]cc2C)cc1	290807597	FVFXHLYFBNJCGP-UHFFFAOYSA-N	289.335	1.906	10	20	CDCD	
C[C@H](N)CN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1	817972596	YFJFCZNAZIUBEI-RYUDHWBXSA-N	281.375	1.660	10	20	CDCD	
CC[C@@H](CNC(=O)NCc1ccc(OC)cc1O)OC	811968969	QIAFDLFAEFMBAF-NSHDSACASA-N	282.340	1.625	10	20	CDCD	
COC[C@@H](O)CNc1ccccc1OCC1CC1	819451523	MXAOXWCOIFWZLR-LBPRGKRZSA-N	251.326	1.895	10	20	CDCD	
COC[C@@H](C)[C@H](C)C(=O)NCc1ccc(O)c(O)c1	813491434	XMUVMMCAYVKKPC-ZJUUUORDSA-N	267.325	1.633	10	20	CDCD	
O=C(NCc1ccccc1O)[C@H]1CCc2cncn2C1	816912481	ZGBXXMRJZNIUBB-LBPRGKRZSA-N	271.320	1.468	10	20	CDCD	
COc1cccc(CN2C[C@@H](C)C[C@@H](CO)C2)c1O	817412329	IVTSJGNFRZOJHG-NWDGAFQWSA-N	265.353	1.851	10	20	CDCD	
C[C@H](C(=O)NCc1c(O)ccc2c1CCCC2)N(C)C	821071032	SQYZNXGMQGPVIR-LLVKDONJSA-N	276.380	1.837	10	20	CDCD	
COCCC(=O)NC1CCN(c2ccc(OC)cc2)CC1	727106155	ZIGPBANXEZBFIO-UHFFFAOYSA-N	292.379	1.817	10	20	CDCD	
CC[C@]1(O)CCN(C(=O)c2c(F)ccc(O)c2O)C1	829071999	IFTLRVAQJXJLCJ-ZDUSSCGKSA-N	269.272	1.224	10	20	CDCD	
C[C@H](C(=O)NCc1cc(Cl)ccc1O)N(C)C	824213539	QRUZDHGKSNMEJD-MRVPVSSYSA-N	256.733	1.612	10	20	CDCD	
COc1cc(O)ccc1NS(=O)(=O)CCC1CC1	901703546	HYLQLHMVRMNPOC-UHFFFAOYSA-N	271.338	1.943	10	20	CDCD	
O=C(N[C@H]1CCN(CC2CC2)C1)c1c(F)ccc(O)c1O	825771650	YUPVRTAHSJWSDO-JTQLQIEISA-N	294.326	1.451	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@H](C)[C@@H](C)N)c1	828667090	MUWMLNYRALWRCD-BBBLOLIVSA-N	266.341	1.561	10	20	CDCD	
COc1ccccc1NC[C@@H](O)C[C@]1(O)CCOC1	905300905	QSPZPVVEZJIMBX-SMDDNHRTSA-N	267.325	1.010	10	20	CDCD	
NOCCCNCc1cc(Br)ccc1O	904456422	HOFJYFDIXIWSAV-UHFFFAOYSA-N	275.146	1.525	10	20	CDCD	
CC(C)CC(=O)NC[C@H](N)c1ccc(N(C)C)cc1	832284914	NXNYNACKFUQTQS-AWEZNQCLSA-N	263.385	1.915	10	20	CDCD	
Cc1cc(Cn2cc(COC(=N)O)nn2)ccc1N(C)C	900569790	CGASPNFQWVMWPR-UHFFFAOYSA-N	289.339	1.710	10	20	CDCD	
C[C@H]1CC2(CCNCC2)CN1C(=O)Cc1ccc(N)cc1	842514621	GEHWQSKTABDIHW-ZDUSSCGKSA-N	287.407	1.802	10	20	CDCD	
Cc1ccc(O)c(CN[C@H]2CCc3c(nnn3C)C2)c1	848565647	KNJCGKOAFCVFDL-LBPRGKRZSA-N	272.352	1.476	10	20	CDCD	
CCS(=O)(=O)NCCNCc1ccc(N(C)C)cc1C	840933552	PSGZNYPPYDXBRK-UHFFFAOYSA-N	299.440	1.090	10	20	CDCD	
Cn1ncc(/C=C2\SC(N3CCCCC3)=NC2=O)n1	840732384	FRKYHWRVPLIWKT-YFHOEESVSA-N	277.353	1.271	10	20	CDCD	
CCc1cccc(CN2CCN(CC(C)(C)O)CC2)c1O	848884402	IBWCNMBRZJPKDI-UHFFFAOYSA-N	292.423	1.843	10	20	CDCD	
CNC[C@@H]1C[C@H](F)CN1Cc1cc(OC)c(OC)cc1O	843122262	PUBCPJLJNYGUKG-RYUDHWBXSA-N	298.358	1.541	10	20	CDCD	
C[C@@H](NC[C@@]1(O)CCOC1)c1ccc(Cl)cc1O	841751518	NLOVPJVGZBKWMD-RNCFNFMXSA-N	271.744	1.848	10	20	CDCD	
Nc1ccc(NC(=O)C(=O)NCC(C2CC2)C2CC2)cc1	841050559	HNPMLQQGYNMPDB-UHFFFAOYSA-N	287.363	1.760	10	20	CDCD	
C[C@@H](CNC(=O)N(C)Cc1ccc(N(C)C)cc1)C(=O)O	848586821	PTICRWZIZPCOEF-NSHDSACASA-N	293.367	1.615	10	20	CDCD	
O=C(O)[C@H](C(=O)NCc1ccccc1O)C1CCCC1	852942768	MSYMUQQDRXSDRG-ZDUSSCGKSA-N	277.320	1.899	10	20	CDCD	
COC[C@@](C)(O)CNCc1cc(F)c(N(C)C)cc1F	858134977	XYGYSEOAQPUNLK-AWEZNQCLSA-N	288.338	1.518	10	20	CDCD	
CN(CC(=O)Nc1ccon1)c1ccc2c(c1)OCO2	756654046	BFWOIYBZSLUJTN-UHFFFAOYSA-N	275.264	1.478	10	20	CDCD	
C[C@@H](NCC(=O)NCC1CC1)c1cc(F)cc(F)c1O	757633202	RHNQBMIXUYVWBX-MRVPVSSYSA-N	284.306	1.847	10	20	CDCD	
Nc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccccc1O	757937584	PODACPAEHBOTEU-UHFFFAOYSA-N	288.263	1.208	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)C1(O)CCC1	935948310	LADOMUWHZKCPOO-UHFFFAOYSA-N	270.325	1.409	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)COC[C@H]2CCCO2)c1	862760492	SDYBIQHDHCJEMA-CYBMUJFWSA-N	279.336	1.512	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)c2cn(C)nc2C)c1	862760841	WHOBFPAVOKBRDZ-UHFFFAOYSA-N	259.309	1.673	10	20	CDCD	
CO[C@H](C)CNC(=O)N[C@H](C)c1ccccc1O	868769983	QONQDWFUGSFNBK-NXEZZACHSA-N	252.314	1.787	10	20	CDCD	
Cc1ccc(CN2CC(n3cc([C@@H](C)O)nn3)C2)c(O)c1	877175666	LRAAXXOCWYGHGI-LLVKDONJSA-N	288.351	1.402	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN[C@@H]1CCCNC(=O)C1	877031082	LWXKYYBNWXUHPO-CQSZACIVSA-N	275.396	1.819	10	20	CDCD	
CCO[C@@H]1C[C@@](N)(C(=O)N(C)c2ccc(N)cc2)C1(C)C	877077280	BIXKDZXCIICQPK-CZUORRHYSA-N	291.395	1.764	10	20	CDCD	
COc1ccc(CNCCNC(=O)COC(C)C)cc1C	1124437533	XNFJUMUNWLUVHP-UHFFFAOYSA-N	294.395	1.634	10	20	CDCD	
Cc1ccc(C(=O)NC[C@H](O)COCC(C)C)c(O)c1O	780966757	ALKFAWBIGRRSRU-NSHDSACASA-N	297.351	1.170	10	20	CDCD	
COc1ccc(CN[C@@H](C)Cn2cccn2)c(O)c1OC	892552731	BBMCAKMPEWOQIS-NSHDSACASA-N	291.351	1.784	10	20	CDCD	
CN(C)c1cc(F)c(CNC[C@H]2COCO2)cc1F	894886465	DLLQVIHMIMTBNT-JTQLQIEISA-N	272.295	1.493	10	20	CDCD	
COC(=O)[C@@H](C)N(C)Cc1cc(F)cc(F)c1O	894621475	VRAACDAIRNGCGW-SSDOTTSWSA-N	259.252	1.664	10	20	CDCD	
COC(=O)N1CC(C)(NCc2cc(F)cc(F)c2O)C1	894542065	WUYRZZFQKICXPQ-UHFFFAOYSA-N	286.278	1.601	10	20	CDCD	
C[C@H](OC(=O)c1cccc(O)c1O)C(=O)C1CC1	798655035	SGDQDAXOCVILJL-ZETCQYMHSA-N	250.250	1.622	10	20	CDCD	
COc1ccc(O)c(CNS(=O)(=O)CC(C)(C)C)c1	799776296	PRJNEVXQBLKBAJ-UHFFFAOYSA-N	287.381	1.866	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NCCCC(=O)O)c1	37418224	SKVFYPAGTMYDDH-SECBINFHSA-N	253.298	1.916	10	20	CDCD	
COc1ccc(CNCc2cc(C)ncn2)c(O)c1OC	1334199253	CAWWZBYTUGLUTO-UHFFFAOYSA-N	289.335	1.798	10	20	CDCD	
COCCO[C@@H]1CCN(C(=O)NCc2ccc(N)cc2)C1	1336291086	YWDWIKKSTJTGIV-CQSZACIVSA-N	293.367	1.216	10	20	CDCD	
CC(=O)N1CC[C@@H](CN(C)Cc2ccc(N)cc2)C1	1336284663	BOBFTWHNYSHZMS-AWEZNQCLSA-N	261.369	1.569	10	20	CDCD	
Nc1ccc(CNC(=O)N[C@@H](CO)C2CCCC2)cc1	1337018995	OICIBVQFKMIEJJ-AWEZNQCLSA-N	277.368	1.619	10	20	CDCD	
COC(=O)COc1ccc(N(C)Cc2nncs2)cc1	1354595082	PTOIOIQXNWXMKW-UHFFFAOYSA-N	293.348	1.726	10	20	CDCD	
COc1ccc(CN[C@H](CC2CC2)C(=O)O)c(O)c1OC	1607259057	KXYFMAHDXKIIJB-LLVKDONJSA-N	295.335	1.752	10	20	CDCD	
O=C(O)[C@@H]1C[C@H]2CC[C@H]1N2C(=O)c1cc(O)cs1	1601791149	YHBLEFFWIQLUBO-FTLITQJKSA-N	267.306	1.531	10	20	CDCD	
C[C@@H](NCCc1ccn(C)n1)c1cc(C(=O)O)ccc1O	1609782316	ZLABSRSAVLHNTF-SNVBAGLBSA-N	289.335	1.717	10	20	CDCD	
Cc1ccc(C(=O)NCC2(C(=O)O)CC2)c(O)c1O	1610484512	GCZCACHLTWGQNZ-UHFFFAOYSA-N	265.265	1.001	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNC(C)(C)C(=O)O)c1O	1610278803	ZEPPJAILHMWHSZ-UHFFFAOYSA-N	284.268	1.262	10	20	CDCD	
C[C@H]1CCCN1S(=O)(=O)NCc1ccc(N)cc1	1576715040	QVZZUKYSYXPKMC-JTQLQIEISA-N	269.370	1.088	10	20	CDCD	
CC[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)C(=O)O	1589547067	WAVJWXLATXWTCY-MRVPVSSYSA-N	292.295	1.690	10	20	CDCD	
Cc1cccc(O)c1CNCC1(C(=O)O)CCOCC1	1594408133	BFFHNBFBKXBULV-UHFFFAOYSA-N	279.336	1.672	10	20	CDCD	
C[C@@H](O)[C@H](NCc1ccc(N2CCCC2)cc1)C(=O)O	1599845155	MTMLRRPMMDCNEQ-RISCZKNCSA-N	278.352	1.210	10	20	CDCD	
CCn1cnnc1CNCc1ccc2c(c1)CCCO2	921544245	UTRJQIBTOIIGII-UHFFFAOYSA-N	272.352	1.913	10	20	CDCD	
CC1([C@H](NCc2ccc3c(c2)CCO3)C(=O)O)CC1	1776514407	APLZEFLXBQKWDL-CYBMUJFWSA-N	261.321	1.964	10	20	CDCD	
CN(CCN)Cc1cc(Br)ccc1O	234277778	VFTDNWANXNDNFA-UHFFFAOYSA-N	259.147	1.545	10	20	CDCD	
CN(C)c1ccc(CNC2CCS(=O)(=O)CC2)cc1	35652349	GYCCWFCBDDXNCB-UHFFFAOYSA-N	282.409	1.419	10	20	CDCD	
CC[C@H](C)NC(=O)CCNCc1cc(OC)ccc1O	38013888	NOSXIRZXYAIUSC-NSHDSACASA-N	280.368	1.795	10	20	CDCD	
C[C@@H]1OCC[C@]1(O)CNCc1cc(F)cc(F)c1O	708535560	MOJWSPMWPJSNLE-SDBXPKJASA-N	273.279	1.300	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCC[C@@H](CF)C1	711454386	YHGCSLRNJOOMGL-VIFPVBQESA-N	253.273	1.920	10	20	CDCD	
COC[C@](C)(O)CNCc1cc(Cl)cc(OC)c1O	382546711	DJRJMOHSTYOYEQ-CYBMUJFWSA-N	289.759	1.541	10	20	CDCD	
O=C(NCc1c(O)ccc2c1CCCC2)[C@H]1COCCO1	174518124	HKJCNWFQSNRBJR-OAHLLOKOSA-N	291.347	1.303	10	20	CDCD	
CCOCCN1CCN(Cc2ccc(N(C)C)cc2)CC1	127417585	WOIHDVNEWSZOIM-UHFFFAOYSA-N	291.439	1.907	10	20	CDCD	
CCOC(=O)[C@@H]1CCCCN1C(=O)c1cccc(O)c1O	126270189	VQZSZBJVNGQHLT-NSHDSACASA-N	293.319	1.656	10	20	CDCD	
Cc1ncsc1/C=C/C(=O)N(C)c1cnn(C)c1	186564969	HGRWILZKSYBUHS-SNAWJCMRSA-N	262.338	1.861	10	20	CDCD	
C[C@H]1[C@H](C(=O)O)CCN1Cc1cc(F)ccc1O	235638478	LHXRMUYDOFDPCQ-GZMMTYOYSA-N	253.273	1.826	10	20	CDCD	
Cc1ccc(O)c([C@H](C)NCCCN2CCN(C)CC2)c1	35628824	AVNHYHJETDHXTC-HNNXBMFYSA-N	291.439	1.989	10	20	CDCD	
CC(C)N(CC(N)=O)Cc1cc(Cl)ccc1O	133008845	QJKCGZMIZJXJDL-UHFFFAOYSA-N	256.733	1.741	10	20	CDCD	
COc1cccc(CN2CC[C@H](C(=O)O)C2)c1O	86789832	DLBLZTZKLATQMG-JTQLQIEISA-N	251.282	1.307	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCO[C@H](c2ccco2)C1	193130546	MPODYHZNVPDYHI-ZDUSSCGKSA-N	289.287	1.905	10	20	CDCD	
O=C(NCc1ccccc1O)[C@H]1CCc2cn[nH]c2C1	266516813	IDAONVHKLSXZGD-JTQLQIEISA-N	271.320	1.537	10	20	CDCD	
CN(C)c1ccc(CN2CCCN(C(N)=O)CC2)cc1	92753923	OYCRCAAVHGYYHC-UHFFFAOYSA-N	276.384	1.339	10	20	CDCD	
C[C@@H]1CN(Cc2cc(F)ccc2O)C[C@@H](CO)O1	249509480	ZKWDGRYFFMKPII-SKDRFNHKSA-N	255.289	1.113	10	20	CDCD	
COc1cc(O)c(CN2CCO[C@H]3C[C@@H]32)cc1OC	368313845	WZQBEQAYIVZPHZ-JQWIXIFHSA-N	265.309	1.383	10	20	CDCD	
Cc1nc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c[nH]1	274230886	RYVPARXGUFHCCX-QMMMGPOBSA-N	275.308	1.490	10	20	CDCD	
CCCOc1ccc(CN[C@]2(CCO)CCOC2)c(O)c1	278520282	RXNDVOCLEJNBIY-MRXNPFEDSA-N	295.379	1.812	10	20	CDCD	
CCO[C@@H]1C[C@@H](NCc2cccc(OC)c2O)[C@H]1OC	274992699	ZFZFKYCWQINEGY-UXIGCNINSA-N	281.352	1.683	10	20	CDCD	
COc1cccc(CN2CC[C@H](C)[S@](=O)CC2)c1O	277287970	AEDLXYYZYZROQR-JEOXALJRSA-N	283.393	1.744	10	20	CDCD	
CC(C)N1CCC(O)(CNCc2cc(F)ccc2O)CC1	272425787	MQAUFWPZOZFNDB-UHFFFAOYSA-N	296.386	1.856	10	20	CDCD	
Cc1cccc(CNC[C@H](CO)[C@H]2CCOC2)c1O	280987083	WQVIZSBCUOCAJM-UONOGXRCSA-N	265.353	1.435	10	20	CDCD	
COC(=O)[C@@H]1C[C@@H](OC)CCN1Cc1cc(F)ccc1O	378502601	VZBNPPZJURLZEW-STQMWFEESA-N	297.326	1.684	10	20	CDCD	
O=S(=O)(CCCCF)NCc1ccccc1O	288282895	VBVOJRLAGKATDZ-UHFFFAOYSA-N	261.318	1.561	10	20	CDCD	
C[C@@H](CNCc1ccc(N2CCOCC2)cc1)CN(C)C	386723501	SQXOUXCMDXEBAG-HNNXBMFYSA-N	291.439	1.811	10	20	CDCD	
COCCN(C)CCCN[C@H]1CCc2cccc(O)c21	295959920	LYTBPOHNUDVQEQ-AWEZNQCLSA-N	278.396	1.937	10	20	CDCD	
CCC[C@@H](O)CNC(=O)c1c(F)ccc(O)c1O	295598382	XYZBGYMOVYWZAE-SSDOTTSWSA-N	257.261	1.128	10	20	CDCD	
CCC(=O)N1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)C1	819671510	HKNGWWXQMILVRE-XQRVVYSFSA-N	290.319	1.149	10	20	CDCD	
COC[C@]1(CN[C@H](C)c2ccc(F)cc2O)CCCN1	817973026	BAYOTWRREKIORA-IAQYHMDHSA-N	282.359	1.951	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CC[C@](F)(C(=O)O)C2)c1O	825946978	ZOWHNQCBSXNYGC-CQSZACIVSA-N	299.273	1.733	10	20	CDCD	
CCN(CC)c1ccc(CN(C)C(=O)CO)cc1	822268827	HYMMQQJKBPWIJI-UHFFFAOYSA-N	250.342	1.484	10	20	CDCD	
O=CN1CCCN(Cc2cc(F)ccc2O)CC1	827872284	TYFHMHKIPPWQEN-UHFFFAOYSA-N	252.289	1.195	10	20	CDCD	
C[C@@H](NC(=O)[C@H]1CCN1)c1ccc(N2CCOCC2)cc1	827725650	JOYOWBXWXASZJP-IUODEOHRSA-N	289.379	1.062	10	20	CDCD	
C[C@@]1(CNC(=O)c2c(F)ccc(O)c2O)CCCO1	826804717	BSXMVNJNMFBCRZ-ZDUSSCGKSA-N	269.272	1.536	10	20	CDCD	
CC(=O)OC(C)(C)C(=O)N[C@H](C)c1ccccc1O	827941121	MVGHEKZEODFVER-SECBINFHSA-N	265.309	1.911	10	20	CDCD	
CCCN(CCN(C)C)C(=O)c1c(F)ccc(O)c1O	827420790	VGGGIAJXTRUSPS-UHFFFAOYSA-N	284.331	1.651	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNS(=O)(=O)N(C)C(C)C	734504110	YAKLXGUZNGPFHJ-UHFFFAOYSA-N	299.440	1.736	10	20	CDCD	
CC[C@@H]1OCC[C@H]1NC(=O)/C=C\c1ccc(O)c(O)c1	838298343	JXUBBPQPEUXTET-YBGXSUTOSA-N	277.320	1.795	10	20	CDCD	
COCCOC1CN(Cc2c(O)cccc2OC)C1	838985634	BJDRRIRUHMMNHQ-UHFFFAOYSA-N	267.325	1.248	10	20	CDCD	
Oc1c(F)cccc1CN1CC[C@H]2NCC[C@@H]2C1	843127496	RRFQFIXYBNAJFS-ZWNOBZJWSA-N	250.317	1.715	10	20	CDCD	
COc1cccc([C@H](C)NC[C@H]2COCCO2)c1O	846142602	FQOJRFJEEQGNQW-QWRGUYRKSA-N	267.325	1.467	10	20	CDCD	
CC[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccc(N)cc1	841067023	IMDRGZPTKFGJCD-ZWNOBZJWSA-N	275.352	1.902	10	20	CDCD	
C[C@@H]1C[C@H](O)CN1c1ccc(/C=C/C(=O)O)cc1[N+](=O)[O-]	844213040	FRNASGQLVATWGV-FYGOAMBHSA-N	292.291	1.652	10	20	CDCD	
C[C@H]1CN(C(=O)NCCc2ccc(N)cc2)[C@@H](C)CO1	841960779	WXBHNDKFSSELRX-RYUDHWBXSA-N	277.368	1.630	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H](C2CC2)C(C)(C)CO)c(O)c1O	848247660	QFHSGCOLDWPNIQ-AWEZNQCLSA-N	293.363	1.933	10	20	CDCD	
Cc1ccc([C@H](C)NCC(=O)N2CCN(C)CC2)c(O)c1	756492021	YTTZQGOAZDFPDQ-ZDUSSCGKSA-N	291.395	1.125	10	20	CDCD	
O=C(c1cc(O)cs1)N1C[C@H]2CC[C@@H](O)C[C@H]2C1	855335579	XIZQSAILQUAHCA-KXUCPTDWSA-N	267.350	1.687	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N[C@H]1CCn2cncc2C1	857944111	IXNZWJGTMQRKDU-KMOQFTEPSA-N	299.330	1.439	10	20	CDCD	
O=C(NCCF)NCc1ccc(N2CCC(O)CC2)cc1	852303298	YCFRVHMRNUWVDN-UHFFFAOYSA-N	295.358	1.416	10	20	CDCD	
Cc1noc(CCCOC(=O)c2ccc(C)c(O)c2O)n1	763956972	UZJLUDAGEOEEJA-UHFFFAOYSA-N	292.291	1.887	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)Cc2cnn(C)c2)c1	862759125	WRXJUKGFKUBZDU-UHFFFAOYSA-N	259.309	1.293	10	20	CDCD	
COc1cccc(CNC(=O)CCc2cn[nH]c2)c1O	863864830	XKPVEFWOKZQGOM-UHFFFAOYSA-N	275.308	1.373	10	20	CDCD	
Cc1cccc(O)c1CNC[C@H]1CN(C)CCN1C	877031757	UXSAGRJPCHREEM-ZDUSSCGKSA-N	263.385	1.036	10	20	CDCD	
CON(C)C(=O)[C@@H](C)NCc1ccc(C)cc1O	877660080	ILNAFNXPOATSLI-SNVBAGLBSA-N	252.314	1.199	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NCCC(C)(C)N)cc1	1119405992	ZWCQJHXXSZFYRC-UHFFFAOYSA-N	278.400	1.679	10	20	CDCD	
Cc1ccc(CN2CCN(C[C@@H](C)O)C[C@@H]2C)c(O)c1	877487056	BONWLFDXUBDNNV-UONOGXRCSA-N	278.396	1.588	10	20	CDCD	
COc1cccc(O)c1CN1CCO[C@@H]([C@H]2CCCO2)C1	770303715	IUCGKXKYANEMED-HZPDHXFCSA-N	293.363	1.781	10	20	CDCD	
CN(C)c1ccc(Cn2cc(CC(C)(C)O)nn2)cc1	881270892	DNNQDAZWXZOOLS-UHFFFAOYSA-N	274.368	1.706	10	20	CDCD	
C[C@@H](Nc1cc(C(N)=O)ncn1)c1ccc(N(C)C)cc1	882203025	LNKVZNLAZGISGF-SNVBAGLBSA-N	285.351	1.815	10	20	CDCD	
COC(=O)CCC(=O)N[C@@H](C)c1ccc(N(C)C)cc1	775408793	BYWXMIAZKMWGKQ-NSHDSACASA-N	278.352	1.883	10	20	CDCD	
COc1ccc(CN(C)Cc2nc[nH]n2)c(O)c1OC	892073163	KVSSGXKUNNTXLZ-UHFFFAOYSA-N	278.312	1.160	10	20	CDCD	
OC[C@H](CNCc1cc(Cl)ccc1O)[C@H]1CCOC1	795582096	ICFSLICDAABHFW-JQWIXIFHSA-N	285.771	1.780	10	20	CDCD	
C[S@](=O)C1(CNC(=O)/C=C\c2ccc(O)c(O)c2)CC1	799775657	HYRWRSWAWNUAEE-BOYDRYHPSA-N	295.360	1.138	10	20	CDCD	
CC(=O)N1CC[C@H](CN(C)Cc2ccc(N)cc2)C1	1336284665	BOBFTWHNYSHZMS-CQSZACIVSA-N	261.369	1.569	10	20	CDCD	
C[C@H]1COC[C@@H]1NCc1cc2c(cc1O)OCO2	699833196	FTUNHDZZUPZAEC-WPRPVWTQSA-N	251.282	1.245	10	20	CDCD	
CN(Cc1ccc(N2CCOCC2)cc1)Cc1cnon1	1330545327	SKKQAYBDXCSQTO-UHFFFAOYSA-N	288.351	1.538	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NCc2cnccn2)cc1	1341825845	UBJADQWPNVGKEN-UHFFFAOYSA-N	285.351	1.542	10	20	CDCD	
CCOC(=O)N[C@H](C(=O)NCc1ccc(N)cc1)C(C)C	1341923027	ITMICDRHPQESQC-ZDUSSCGKSA-N	293.367	1.656	10	20	CDCD	
CC1(C)[C@H](NC(=O)NCc2ccc(N)cc2)[C@H]2CCO[C@H]21	1353351771	OQJBSBXAGRAGIW-MGPQQGTHSA-N	289.379	1.882	10	20	CDCD	
O=C(O)[C@H](C[C@@H]1CCCO1)NCc1cc(F)ccc1O	1601640802	FMQQAHHGDASHPN-RYUDHWBXSA-N	283.299	1.643	10	20	CDCD	
CCc1cccc(CN2CC[C@@](OC)(C(=O)O)C2)c1O	1597586513	GBOMZYULQKFKDC-HNNXBMFYSA-N	279.336	1.630	10	20	CDCD	
C[C@H]1C[C@H](NCc2cc3c(cc2O)OCO3)CCO1	219923350	PYVVNMCYZYWACT-GXSJLCMTSA-N	265.309	1.778	10	20	CDCD	
COc1cccc(CNCCCC(=O)NC2CC2)c1O	112017123	BULRVYMODPBUMX-UHFFFAOYSA-N	278.352	1.549	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1cn[nH]c1	37652636	JNTGUCFEIUZJFF-UHFFFAOYSA-N	258.325	1.748	10	20	CDCD	
OC1CCN(CCNCc2ccc3c(c2)CCO3)CC1	294984181	YMGXKYNGKSUGPP-UHFFFAOYSA-N	276.380	1.168	10	20	CDCD	
C[C@H]1CSCCN(C(=O)c2cccc(O)c2O)C1	380380724	OJHVZHXWRKZBEL-SECBINFHSA-N	267.350	1.923	10	20	CDCD	
Oc1ccc(Br)cc1CN[C@H]1C[C@H](O)C1	850417626	GHXAFTOQFKLOKM-MGCOHNPYSA-N	272.142	1.768	10	20	CDCD	
COc1cccc(CNC(=O)[C@@H]2CCCOC2)c1O	105649903	YKBHHSFBYHMPPY-LLVKDONJSA-N	265.309	1.444	10	20	CDCD	
CC[C@@H](CO)NC(=O)NCc1ccc(N(C)C)c(F)c1	57646749	DWHFMRYXJGOFJP-NSHDSACASA-N	283.347	1.462	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1cn[nH]c1	115490345	ZRYPXLIXDIINQS-UHFFFAOYSA-N	258.325	1.714	10	20	CDCD	
Cc1cc(C(=O)NCCC(N)=O)c(C)n1-c1ccccn1	175433679	LQHYYPHWEQVQDC-UHFFFAOYSA-N	286.335	1.094	10	20	CDCD	
CCCN(CCN1C(=O)CCC1=O)Cc1ccccc1O	174371666	YJPPMHQILVHTON-UHFFFAOYSA-N	290.363	1.753	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCCC[C@H]1c1ncon1	185698334	YHPWYCUKEKJHKF-JTQLQIEISA-N	289.291	1.848	10	20	CDCD	
C[C@@H](NCc1ncn(C)n1)c1cc(F)ccc1O	186214797	UPPHWWADGWCSTJ-MRVPVSSYSA-N	250.277	1.511	10	20	CDCD	
COc1ccc(O)c(CN2CCN3C(=O)OC[C@@H]3C2)c1	378445567	VHWZNIHKZSQTCP-NSHDSACASA-N	278.308	1.037	10	20	CDCD	
COC[C@H]1CN(Cc2ccccc2O)C[C@@H](C)O1	188343047	MZOUGFVIVGVQHL-DGCLKSJQSA-N	251.326	1.628	10	20	CDCD	
CCOCc1cc(CNCC(=O)N(C)CC)ccc1OC	185174338	IGJUWVJKCUTLFI-UHFFFAOYSA-N	294.395	1.800	10	20	CDCD	
COc1cccc(CN2CC[C@H](O)[C@H](C)C2)c1O	190044661	KBDGFZSFEUCXGX-PWSUYJOCSA-N	251.326	1.604	10	20	CDCD	
COC(=O)Cn1ncc(NCc2cc(F)ccc2O)c1C	192989547	KJNUWIJICFPDRM-UHFFFAOYSA-N	293.298	1.821	10	20	CDCD	
CCCOc1ccc(CN(CCO)CCCO)c(O)c1	93324080	UVNOWZWUVGNQRJ-UHFFFAOYSA-N	283.368	1.358	10	20	CDCD	
CN(CCOCCO)Cc1ccc(N(C)C)cc1	265921086	YHNCBVMHCCWMGO-UHFFFAOYSA-N	252.358	1.193	10	20	CDCD	
CCOc1cccc(CN2CC[C@@H]([C@H](C)O)C2)c1O	248422066	YLSPQQVSTZXOFB-NWDGAFQWSA-N	265.353	1.994	10	20	CDCD	
COC(=O)CN(Cc1cc(F)ccc1O)C1CC1	272417561	LLOZMGUCVBEVLA-UHFFFAOYSA-N	253.273	1.669	10	20	CDCD	
C[C@@H](CCO)N[C@H](C)c1cc([N+](=O)[O-])ccc1O	273619254	YMNMTZNXFZWDHA-DTWKUNHWSA-N	254.286	1.722	10	20	CDCD	
COc1cc(O)c(CN2CCNC(=O)C[C@@H]2C)cc1OC	377889771	QKDXRBBDHPLKJD-JTQLQIEISA-N	294.351	1.120	10	20	CDCD	
Cc1nc2n(n1)C[C@H](N[C@@H]1CCc3cccc(O)c31)CC2	297773030	PFNUWXVWUBWUCQ-CHWSQXEVSA-N	284.363	1.884	10	20	CDCD	
CO[C@@H]1CCOC[C@H]1NCc1cc2c(cc1O)OCO2	724880202	MKKXGTYCDKHSQT-ZYHUDNBSSA-N	281.308	1.014	10	20	CDCD	
O=C1C[C@H](N[C@H]2CCc3cccc(O)c32)CN1C1CC1	296785672	KWTUHXGNJCPQPS-AAEUAGOBSA-N	272.348	1.732	10	20	CDCD	
O=C(CNC(=O)C1CCCCC1)NCc1ccccc1O	299575430	QECVMTYOIKVBLK-UHFFFAOYSA-N	290.363	1.705	10	20	CDCD	
COC[C@H](O)CNCCCSc1nccs1	819064190	SZRSNYVLRQKGFP-SECBINFHSA-N	262.400	1.222	10	20	CDCD	
CN(C)C(=O)CCNCc1cc(Cl)c(F)cc1O	816544128	YOURMYIMQQOGHN-UHFFFAOYSA-N	274.723	1.753	10	20	CDCD	
CO[C@H](CNC(=O)c1c(F)ccc(O)c1O)C(F)(F)F	825826846	JOWOUBLFLXIWCW-SSDOTTSWSA-N	297.204	1.544	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@@H](C)N(C)C	820041453	MEGADVWJUUTLSH-GFCCVEGCSA-N	263.385	1.627	10	20	CDCD	
COC(=O)CCCC(=O)N[C@H](C)Cc1ccc(O)c(O)c1	821807670	XUMKOWCUPWNAFE-SNVBAGLBSA-N	295.335	1.488	10	20	CDCD	
Cc1ccc(C(=O)N2CCC[C@H](CC(=O)O)C2)c(O)c1O	821064065	OATCARBBARTDAN-SNVBAGLBSA-N	293.319	1.733	10	20	CDCD	
O=C(CNCc1ccc2ccccc2c1O)NC1CC1	839099367	XMYJXBXYGSFSFG-UHFFFAOYSA-N	270.332	1.914	10	20	CDCD	
Cc1cc(O)ccc1NS(=O)(=O)N(C)CC1CC1	743260098	VHVASPZIMIZIOJ-UHFFFAOYSA-N	270.354	1.699	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)NC[C@H]1CCCCN1	841919647	BNWPRNXSIQDMFI-CYBMUJFWSA-N	277.368	1.676	10	20	CDCD	
CCN(CCN1CCCS1(=O)=O)c1ccc(OC)cc1	747681623	DBZZBHRUABBWIB-UHFFFAOYSA-N	298.408	1.557	10	20	CDCD	
COc1ccc(CNC(=O)NCC2(N)CCC2)c(O)c1	841967300	RPTKEWKUGDJKMQ-UHFFFAOYSA-N	279.340	1.081	10	20	CDCD	
CN(Cc1nnn(C(C)(C)C)n1)c1ccc2c(c1)OCO2	846836686	SEKQWLHOGQRIBN-UHFFFAOYSA-N	289.339	1.793	10	20	CDCD	
CNC(=O)CCCC(=O)NCc1cc(Cl)ccc1O	846473132	JBUAPSHJNLEJQP-UHFFFAOYSA-N	284.743	1.578	10	20	CDCD	
C[C@H](NC(=O)NCCCC(=O)O)c1ccc(N(C)C)cc1	840988895	QLQGVIPNNRCVES-NSHDSACASA-N	293.367	1.978	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CCN[C@@H](C)[C@@H]2C)c1O	843378043	YGVLLOKNUTYAEP-UWVGGRQHSA-N	280.343	1.916	10	20	CDCD	
C[C@H](CCO)N(C)C(=O)NCc1ccc(N(C)C)cc1	844781975	LZYVWDILIVGZSG-GFCCVEGCSA-N	279.384	1.665	10	20	CDCD	
COC[C@H](OC)C(=O)N[C@H](C)c1ccccc1O	827957860	ZKABSLBONBRIKX-SKDRFNHKSA-N	253.298	1.231	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@](C)(O)CC	935947396	XBGWRCISFJRAJG-CQSZACIVSA-N	272.341	1.655	10	20	CDCD	
Cc1ccnn1CC(=O)N(C)Cc1ccccc1O	860047448	DUJMZQLOWBIHFT-UHFFFAOYSA-N	259.309	1.556	10	20	CDCD	
C[C@@H]1CCN(C(=O)c2cc(O)cs2)CCS1(=O)=O	760918797	CQRGWOGTPOYTKD-MRVPVSSYSA-N	289.378	1.103	10	20	CDCD	
COc1ccc(CNC2(CO)COC(C)(C)OC2)cc1C	1119849685	MBJNPZLYHPODOO-UHFFFAOYSA-N	295.379	1.607	10	20	CDCD	
CCOCCCNCc1cc2c(cc1O)OCO2	42879329	ZBZIEBUSXJCNHZ-UHFFFAOYSA-N	253.298	1.637	10	20	CDCD	
COC(=O)N[C@@H](C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	773019108	ORUDOSVRUDNTIH-QWRGUYRKSA-N	293.367	1.674	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC[C@H](O)COCC2CC2)c1	775374485	CDJHVMJTEOUXBU-YPMHNXCESA-N	295.379	1.839	10	20	CDCD	
C[C@H]1C[C@H]1C(=O)NCc1ccc(N2CCN(C)CC2)cc1	881849731	VEXMUDIWKGQPST-XJKSGUPXSA-N	287.407	1.711	10	20	CDCD	
Cc1ccc(C(=O)NCCC(=O)OC(C)C)c(O)c1O	780858423	HMLPDCZQEFXJMF-UHFFFAOYSA-N	281.308	1.478	10	20	CDCD	
OC[C@H](NCc1cc(F)cc(F)c1O)[C@@H]1CCCOC1	883146515	PDLJCBHIYLEZAQ-RNCFNFMXSA-N	287.306	1.548	10	20	CDCD	
CCC[C@@H](NCc1cc2c(cc1O)OCO2)C(=O)OC	897835582	PAJVMKHOFSPAKR-SNVBAGLBSA-N	281.308	1.552	10	20	CDCD	
COc1ccc(CN(C)CC(=O)NC2CC2)c(O)c1OC	891518008	WGYGSUVPBJFKRO-UHFFFAOYSA-N	294.351	1.120	10	20	CDCD	
COC(=O)C1(CNC(=O)c2cccc(O)c2O)CCCC1	790827563	UQXDRNZYKGWXTF-UHFFFAOYSA-N	293.319	1.561	10	20	CDCD	
COc1ccc(N2CCC(NCCCCN)CC2)cc1	1326035757	AWEUPXLXBXTKAG-UHFFFAOYSA-N	277.412	1.993	10	20	CDCD	
C[C@H](CCNCc1cc([N+](=O)[O-])ccc1O)CC(=O)O	1321907393	PGAYVIJRLQNGBO-SECBINFHSA-N	282.296	1.891	10	20	CDCD	
C[C@@H]1CS(=O)(=O)C[C@@H]1NCc1c(O)cccc1Cl	711686152	BKHBEGIYGXOOIY-KCJUWKMLSA-N	289.784	1.568	10	20	CDCD	
CC(=O)N(C)C1CCN(C(=O)Cc2ccc(N)cc2)CC1	1326006824	SHCZDLSYOZNUHA-UHFFFAOYSA-N	289.379	1.281	10	20	CDCD	
CC(C)(O)C1CCN(C(=O)c2cccc(O)c2O)CC1	716365518	FIVPWTQOKOFMKK-UHFFFAOYSA-N	279.336	1.721	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)C(=O)NCC1=CCCC1	1331105561	FUHASFPJPPUBFQ-UHFFFAOYSA-N	288.347	1.577	10	20	CDCD	
Nc1ccc(CNC(=O)N2CC[C@H](n3cncn3)C2)cc1	1262603282	DIADAUAZODDPSX-ZDUSSCGKSA-N	286.339	1.017	10	20	CDCD	
CC[C@H](C)[C@@H](NC(=O)CN(C)c1ccc(N)cc1)C(=O)O	1594887179	JQYRUSVPRVLXTH-IINYFYTJSA-N	293.367	1.321	10	20	CDCD	
CC[C@@H](COC)NC(=O)N(C)Cc1ccccc1O	163295786	ABRZOYYWFSSMGH-LBPRGKRZSA-N	266.341	1.959	10	20	CDCD	
CN(C)c1ccc(CNCCS(=O)(=O)C2CC2)cc1	840963747	DTGZIQVFZGEQRB-UHFFFAOYSA-N	282.409	1.419	10	20	CDCD	
CS[C@H]1CN(C(=O)Nc2ccc(N)cc2)C[C@H]1N(C)C	841295588	CAZMWEQMHAUAJU-OLZOCXBDSA-N	294.424	1.778	10	20	CDCD	
C[C@H](NCc1ccc(N(C)C)cc1)C(=O)N1CCCC1	72895202	YHRCOPVWBDKTHU-ZDUSSCGKSA-N	275.396	1.853	10	20	CDCD	
CC[C@@H](NCc1cc2c(cc1O)OCO2)[C@H](C)O	387397262	KXCHLWAOLQNJJK-WCBMZHEXSA-N	253.298	1.370	10	20	CDCD	
CN(C)c1ccc(CNc2ccc3nnnn3n2)cc1F	58545492	GXIOXQYFLJQHIH-UHFFFAOYSA-N	287.302	1.337	10	20	CDCD	
Cc1cc(C(=O)N2CC[C@H](CO)C2)c(C)n1-c1ccccn1	305649938	DEOPZKKCVDJTAM-AWEZNQCLSA-N	299.374	1.944	10	20	CDCD	
CCN(C)C[C@@H]1CCN(Cc2cc3c(cc2O)OCO3)C1	173490522	JWUUOZRCRNVFBE-LBPRGKRZSA-N	292.379	1.895	10	20	CDCD	
C/C=C/C[C@H](CO)NCc1cc([N+](=O)[O-])ccc1O	185811260	FTNPYPGWRMUFDC-KXMPLOMGSA-N	266.297	1.717	10	20	CDCD	
COc1cc(O)c(CNC[C@H]2CC[C@@H](O)C2)cc1OC	187985189	PWOBOMTUGHFZMW-CMPLNLGQSA-N	281.352	1.660	10	20	CDCD	
C[C@H](NC[C@@H](C)CN1CCN(C)CC1)c1ccccc1O	183491664	MSVSGAPTXDNGPV-CABCVRRESA-N	291.439	1.926	10	20	CDCD	
C[C@@](O)(CNC(=O)c1cccc(O)c1O)c1ccco1	185770693	XBUHZVXDRHKWBL-CQSZACIVSA-N	277.276	1.328	10	20	CDCD	
CC(C)CN(CC(N)=O)Cc1ccc(N(C)C)cc1	92010930	ZTIVBFOWTUMYHD-UHFFFAOYSA-N	263.385	1.696	10	20	CDCD	
CN1CC(=O)N(Cc2ccc(N3CCCC3)cc2)C1=O	272223640	IBPWRLMLVKEXMP-UHFFFAOYSA-N	273.336	1.681	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CC(=O)N(C3CC3)C2)c1O	279182534	SASRUYJMEUFXHB-UHFFFAOYSA-N	292.310	1.498	10	20	CDCD	
CCN(Cc1cnnn1C)c1ccc(OC)c(OC)c1	289440606	YWDYBHUJHFVIGP-UHFFFAOYSA-N	276.340	1.859	10	20	CDCD	
O=C1O[C@H]2C[C@H]1N(Cc1cc(Br)ccc1O)C2	294891631	WNQZMYJDNLZKOX-VHSXEESVSA-N	298.136	1.654	10	20	CDCD	
C[C@@H]1NCC[C@H]1C(=O)N1CCOc2cc(N(C)C)ccc21	563211215	SJSZMGQWWFXUNI-WCQYABFASA-N	289.379	1.476	10	20	CDCD	
COc1cc(O)c(CNC[C@H]2CC[C@@H](CO)O2)cc1OC	293978531	RCUKIZCSSKZSHK-NEPJUHHUSA-N	297.351	1.039	10	20	CDCD	
COc1ccc(CNC(=O)c2ncc(C)o2)c(O)c1	813818709	WWFMZCLHGYNPTN-UHFFFAOYSA-N	262.265	1.627	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CC[C@@H]1C(N)=O	816822573	PICJPMJEFKXRPV-UONOGXRCSA-N	289.379	1.223	10	20	CDCD	
CCN(CC)c1ccc(CN2CCO[C@H](C(=O)O)C2)cc1	820344004	JSIGSKPMNYGFQK-HNNXBMFYSA-N	292.379	1.818	10	20	CDCD	
CCOc1ccc(O)c(CN2CC[C@@](CO)(COC)C2)c1	825158536	OZTSBZWPOBTJQO-MRXNPFEDSA-N	295.379	1.622	10	20	CDCD	
COc1ccc(CNC(=O)C2(CN(C)C)CC2)c(O)c1	822613163	XBHOEVCUMJNKSY-UHFFFAOYSA-N	278.352	1.359	10	20	CDCD	
COc1ccc(CNCc2ccnc(OC)n2)c(O)c1	824321758	WCLBHDFTXITCND-UHFFFAOYSA-N	275.308	1.489	10	20	CDCD	
CN1CCCc2cc(CNC(=O)c3ncc[nH]3)ccc21	824676041	CLDJJJKSJNLGBR-UHFFFAOYSA-N	270.336	1.722	10	20	CDCD	
CCOc1cccc(CN2CC[C@@](CO)(COC)C2)c1O	825158447	LUGHCCGGCXVDIS-MRXNPFEDSA-N	295.379	1.622	10	20	CDCD	
CCN(CC)C[C@H](C)NC(=O)c1c(F)ccc(O)c1O	825567543	BSPZLDDOQIHHNS-VIFPVBQESA-N	284.331	1.697	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CCN(C)C2)c1	729535368	QBLXCJGELOFLPV-GHMZBOCLSA-N	278.352	1.530	10	20	CDCD	
CO[C@H]1CCN(C(=O)c2ccc(C)c(O)c2O)C[C@@H]1C	836839075	XTYYPBMFQIUHRY-JQWIXIFHSA-N	279.336	1.903	10	20	CDCD	
CN(C)c1ccc(CN[C@]2(CC(=O)O)CCCOC2)cc1	901523531	DVUVYYQKJFPQFW-INIZCTEOSA-N	292.379	1.866	10	20	CDCD	
CO[C@@H](C)CN1C(=O)CN(Cc2ccccc2O)C1=O	849359674	ASEBYMMVBAVMSQ-JTQLQIEISA-N	278.308	1.191	10	20	CDCD	
CCC1(C)CN(C(=O)C(=O)Nc2ccc(N)cc2)C1	841132048	JBWYTQIHDQXKDL-UHFFFAOYSA-N	261.325	1.466	10	20	CDCD	
CC[C@@H]1C[C@@H](C(=O)NCc2ccc(O)cc2O)CCO1	910949599	LOZKLXISHGHYFD-GXFFZTMASA-N	279.336	1.919	10	20	CDCD	
Nc1ccc(CCNC(=O)NCCc2nccs2)cc1	841764183	DZRMJAFQDDIHKU-UHFFFAOYSA-N	290.392	1.810	10	20	CDCD	
OC[C@]1(NCc2cc(Cl)cc(F)c2O)CCOC1	757978232	LIJCGQPLVOPJFA-GFCCVEGCSA-N	275.707	1.426	10	20	CDCD	
CN(CC1=CCCOC1)Cc1cc2c(cc1O)OCO2	853561434	CQJSBPANSHDJRM-UHFFFAOYSA-N	277.320	1.899	10	20	CDCD	
O=C(OCCCN1CCOCC1)c1cc(O)cs1	750889223	ZBEUVVOOJYIEBM-UHFFFAOYSA-N	271.338	1.333	10	20	CDCD	
CN1CCCc2cc(CNC(=O)CCc3cnn[nH]3)ccc21	865054004	MWEYDAPKGQBLCK-UHFFFAOYSA-N	299.378	1.436	10	20	CDCD	
COc1cccc(CN2CCN(C(C)(C)CO)CC2)c1O	769447625	YYSLHIHQNASVJV-UHFFFAOYSA-N	294.395	1.289	10	20	CDCD	
CN(Cc1cc2c(cc1O)OCO2)C1CC(O)C1	761222615	KOIBYNFDDRRSTC-UHFFFAOYSA-N	251.282	1.076	10	20	CDCD	
C[C@H]1C(=O)N(Cc2ccc(N(C)C)cc2)C(=O)N1C	760951946	VZXWOCJOURLXAU-JTQLQIEISA-N	261.325	1.535	10	20	CDCD	
CN(C)c1ccc(CN2C[C@@H](O)C[C@]2(C)CO)cc1	878984632	VYLQBCXTOIMZLC-LSDHHAIUSA-N	264.369	1.070	10	20	CDCD	
CCN(C)c1ccc(CN(C)C[C@H](C)C(=O)NC)cc1	773756820	VVWHVYNKTNPRKI-ZDUSSCGKSA-N	277.412	1.957	10	20	CDCD	
CCCOc1ccc(CNC[C@@H](O)CO)cc1C	873116840	OEKBFLMZGBDGDW-CYBMUJFWSA-N	253.342	1.227	10	20	CDCD	
CCOc1ccc(CNC2CC(C(=O)O)C2)c(O)c1	874055983	JQBGOEYEXYBGGP-UHFFFAOYSA-N	265.309	1.744	10	20	CDCD	
COCCO[C@@H]1COCC[C@H]1NCc1ccccc1O	776811614	BGDXFKKIPGENAK-UKRRQHHQSA-N	281.352	1.302	10	20	CDCD	
CCn1cc(CN(C)c2ccc(OC)c(OC)c2)nn1	883998625	HFGGTWYCOUPXFS-UHFFFAOYSA-N	276.340	1.952	10	20	CDCD	
CC(C)[C@@H](O)C1(CNC(=O)c2cc(O)cs2)CC1	776249496	ZWKCRPYHZLBSKF-LLVKDONJSA-N	269.366	1.981	10	20	CDCD	
C[C@@H](O)CN1CCN(Cc2ccc(N)cc2)[C@H](C)C1	1120269338	QEERJKOBGSJKPD-CHWSQXEVSA-N	263.385	1.156	10	20	CDCD	
CCn1cc(CC(=O)NCc2ccc(N)cc2)cn1	1122536234	VYHNOAXXEQFTLJ-UHFFFAOYSA-N	258.325	1.344	10	20	CDCD	
C[C@@H](C[C@@H](C)O)NCc1ccc(N2CCN(C)CC2)cc1	782977475	FXLIGSLJVDWBJP-LSDHHAIUSA-N	291.439	1.687	10	20	CDCD	
CO[C@@H]1CN(Cc2cc(Cl)c(F)cc2O)CCO1	895963570	PTTJUGXKPNEQBY-LBPRGKRZSA-N	275.707	1.989	10	20	CDCD	
C[C@@H]1C[C@@H](O)CN1Cc1ccc(N(C)C)c(F)c1	788270873	UPYKLCCRVYYTIV-ZYHUDNBSSA-N	252.333	1.847	10	20	CDCD	
COc1ccc(CNCCOCC2CC2)c(O)c1OC	892946886	RSEGMFXOYNHMIT-UHFFFAOYSA-N	281.352	1.926	10	20	CDCD	
O=C1CCCN1C1CN(Cc2c(O)cccc2Cl)C1	897786712	WQMBMBSJPNPVIM-UHFFFAOYSA-N	280.755	1.852	10	20	CDCD	
CC(=O)N1CC[C@H](CN(C)Cc2cc(F)cc(F)c2O)C1	894094710	LVAQLDNAAZEOPK-LLVKDONJSA-N	298.333	1.971	10	20	CDCD	
COC[C@@H](C)S(=O)(=O)N[C@H](C)c1ccccc1O	867834452	OSHQOWGGHOIAAR-NXEZZACHSA-N	273.354	1.408	10	20	CDCD	
Cc1ccc(O)c(CNc2cccc(S(N)(=O)=O)c2)c1	71406071	ZDQROJIMCLBCAN-UHFFFAOYSA-N	292.360	1.960	10	20	CDCD	
CC(C)NC(=O)[C@H](C)NCc1cc(F)cc(F)c1O	708518079	ZHFUENFDTAVCLS-QMMMGPOBSA-N	272.295	1.673	10	20	CDCD	
CCn1[nH]cnc1=N[C@H](C)c1ccc(N(C)C)cc1	1337938251	CRCIKZVBWXJJKY-LLVKDONJSA-N	259.357	1.959	10	20	CDCD	
Cc1noc(CN(C)C(=O)NCc2ccc(N)cc2)n1	1337018997	OKCGFKDHKFKMGN-UHFFFAOYSA-N	275.312	1.302	10	20	CDCD	
COC(=O)[C@@H](NCc1ccc(N)cc1)C(C)(C)C	1336286545	RRBHZUXIHBCHMR-GFCCVEGCSA-N	250.342	1.946	10	20	CDCD	
Cc1cc(Cn2cc(C[C@H](C)O)nn2)ccc1N(C)C	1331244435	RBPVUPOVIPSUJE-LBPRGKRZSA-N	274.368	1.624	10	20	CDCD	
COC(=O)C12CC(C(=O)NCc3cccc(O)c3O)(C1)C2	1347234447	OBSTZGFPBMINQF-UHFFFAOYSA-N	291.303	1.057	10	20	CDCD	
C[C@H](O)[C@H]1CCCN(C(=O)NCc2ccc(N)cc2)C1	1346738727	JXUDAKWTDNKXQF-AAEUAGOBSA-N	277.368	1.571	10	20	CDCD	
COc1cc(O)c(CN[C@H]2C[C@@H](C(=O)O)C2)cc1OC	1352205395	VHNOKXHWBANAGO-WAAGHKOSSA-N	281.308	1.362	10	20	CDCD	
CCn1[nH]cnc1=NCc1cccc(Br)c1O	1354029538	SQEOWZHNFSXKBV-UHFFFAOYSA-N	297.156	1.800	10	20	CDCD	
COc1ccc(N2CCC(N[C@@H](CF)C(=O)O)CC2)cc1	1610339193	KIIKNNYXFOCXIX-AWEZNQCLSA-N	296.342	1.676	10	20	CDCD	
CC(C)(CCC(=O)O)NC(=O)c1cc(O)cs1	1588764272	WIYOUEYZNCUOLY-UHFFFAOYSA-N	257.311	1.827	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)NC[C@@H](C)C(=O)O)c1	1593883271	WIZAMLBJPRTNBA-BDAKNGLRSA-N	281.308	1.550	10	20	CDCD	
CC[C@@](C)(CC(=O)O)NC(=O)c1ccc(C)c(O)c1O	1594822107	PTHDWCWZSKVUTM-AWEZNQCLSA-N	281.308	1.779	10	20	CDCD	
CCCN(C(=O)c1ccc(C)c(O)c1O)[C@H](C)C(=O)O	1595828005	XPMMITYIYHJUPQ-SECBINFHSA-N	281.308	1.732	10	20	CDCD	
Cc1[nH]c(C(=O)NCc2ccccc2O)c(C)c1C(=O)O	1599952801	WJLRRRVLXHDRRY-UHFFFAOYSA-N	288.303	1.965	10	20	CDCD	
COc1cccc(O)c1CNC[C@H](O)C1CCC1	825240575	MPTWXVDVSZIMNQ-ZDUSSCGKSA-N	251.326	1.651	10	20	CDCD	
CC[C@H]1CN(Cc2cccc(OC)c2O)CC[C@H]1N	251657121	GVYCIIRBVMDGLD-WCQYABFASA-N	264.369	1.960	10	20	CDCD	
C[C@H]1CCN[C@H](C(=O)NCc2ccc(N(C)C)cc2)C1	126919785	QASAFGSDUBTUJW-WFASDCNBSA-N	275.396	1.757	10	20	CDCD	
CC(C)(C)[C@@H]1CN(C(=O)c2cccc(O)c2O)CCO1	279450132	VPDAQBVELYEXLU-LBPRGKRZSA-N	279.336	1.985	10	20	CDCD	
CN(C)c1ccc(CNCC2(S(C)(=O)=O)CC2)cc1	279761852	ZZCPPORFEUIWJX-UHFFFAOYSA-N	282.409	1.419	10	20	CDCD	
CC[C@H](NCc1cc2c(cc1O)OCO2)C(C)(C)O	293202045	XSGOCLRZNDSQDD-ZDUSSCGKSA-N	267.325	1.760	10	20	CDCD	
CC(C)CNC(=O)NC(=O)CN(C)Cc1ccccc1O	109771847	KTGGUCCCJKASNE-UHFFFAOYSA-N	293.367	1.306	10	20	CDCD	
O=C(CNC1CC1)NCc1ccc(N2CCCC2)cc1	178924814	ZLBFAXFAPNMBTN-UHFFFAOYSA-N	273.380	1.655	10	20	CDCD	
CCN(CC)S(=O)(=O)NCc1ccc(N(C)C)cc1C	115592659	DUVKGAYBVMATPP-UHFFFAOYSA-N	299.440	1.737	10	20	CDCD	
Cc1cc(O)c(CN2C[C@@H](CO)OC[C@H]2C)cc1C	305747150	RUCRFHJVXFUUDU-OCCSQVGLSA-N	265.353	1.591	10	20	CDCD	
C[C@H](C[C@H](O)c1ccco1)NC(=O)c1cccc(O)c1O	185842943	IPIOCABZTKLSGO-SKDRFNHKSA-N	291.303	1.933	10	20	CDCD	
COC(=O)CCCC(=O)N(C)Cc1ccccc1O	182725271	SVNYFSCBMJUPFA-UHFFFAOYSA-N	265.309	1.694	10	20	CDCD	
Cc1nnc(C(=O)NCc2ccc(N(C)C)cc2)s1	185333859	DZWGYMFYOBQFOJ-UHFFFAOYSA-N	276.365	1.843	10	20	CDCD	
Nc1ccc(CC(=O)NC2CCSCC2)cc1	156914354	ZKTUHBDXJVAMOG-UHFFFAOYSA-N	250.367	1.823	10	20	CDCD	
CN(C)c1ccc(CNc2ccnc(C(N)=O)c2)cc1F	131962886	AMUVCYXGFHSCPO-UHFFFAOYSA-N	288.326	1.998	10	20	CDCD	
CCN1CCN(Cc2cccc(OC)c2O)C(C)(C)C1=O	190027131	RYHCIMMZSPITNQ-UHFFFAOYSA-N	292.379	1.844	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)Nc1cccc(F)n1	134233837	VYDCCBMWUQGXKK-UHFFFAOYSA-N	291.282	1.996	10	20	CDCD	
C[C@@H](O)C[C@@H](C)NCc1cc2c(cc1O)OCO2	228074672	SZSVZMRHIWMYET-RKDXNWHRSA-N	253.298	1.370	10	20	CDCD	
Cc1cc(C)c(O)c(CN2CCS(=O)(=O)C[C@@H](C)C2)c1	191376624	OTFZPZAVJIWKHE-LBPRGKRZSA-N	297.420	1.876	10	20	CDCD	
Nc1ccc(CC(=O)N2CCC[C@@]3(CCNC3)C2)cc1	295134343	YXAVSSJAJMHFAB-INIZCTEOSA-N	273.380	1.413	10	20	CDCD	
COc1ccc(O)c(CN2CCO[C@@]3(CCO[C@@H]3C)C2)c1	279707344	SAORYAXVCDDRJQ-WBMJQRKESA-N	293.363	1.781	10	20	CDCD	
C[C@@H](NC[C@H](O)C1CCOCC1)c1cc(F)ccc1O	273467813	JEQJOVQUUZZACC-BMIGLBTASA-N	283.343	1.969	10	20	CDCD	
C[C@H](O)CN1CCN(Cc2ccc(N(C)C)c(F)c2)CC1	275112582	DDPSZJTXHQBWFV-ZDUSSCGKSA-N	295.402	1.390	10	20	CDCD	
C[C@@H](OC[C@H]1CCCO1)C(=O)NCc1ccc(O)c(O)c1	272270481	DAVVOGMAXXTHGE-ZYHUDNBSSA-N	295.335	1.298	10	20	CDCD	
COC[C@H](O)CCN[C@H](C)c1cc(C(=O)OC)ccc1O	273511693	RVMFXXRQHIMZSU-ZYHUDNBSSA-N	297.351	1.227	10	20	CDCD	
CC(C)NC(=O)CN[C@H](C)c1cc([N+](=O)[O-])ccc1O	273376967	HJBMDIGZPBJMCM-SECBINFHSA-N	281.312	1.476	10	20	CDCD	
Cc1ccc(C(=O)N2CC[C@H](C)[S@@](=O)CC2)c(O)c1O	277458628	GIHURRNAGABGGL-FVINQWEUSA-N	297.376	1.389	10	20	CDCD	
COc1ccc(Cl)cc1C(=O)OCC(=O)C(C)=O	808483897	CCFSGCPPBLRVKP-UHFFFAOYSA-N	270.668	1.664	10	20	CDCD	
O=C(NCc1nccc(C(F)F)n1)c1cccc(O)c1O	807891931	YVBJEWDAQMKOSO-UHFFFAOYSA-N	295.245	1.755	10	20	CDCD	
CCOc1ccc(CNCC(C)(C)OCCO)c(O)c1	808438027	PPJUGJWLPIIWNS-UHFFFAOYSA-N	283.368	1.668	10	20	CDCD	
CCOc1ccc(CN(C)CCOCCOC)c(O)c1	809790098	XVKRKWKLWSXJEU-UHFFFAOYSA-N	283.368	1.886	10	20	CDCD	
CCC[C@@H](OC)C(=O)NCc1cccc(OC)c1O	294775866	CGNFKPINLMUYSB-GFCCVEGCSA-N	267.325	1.832	10	20	CDCD	
Nc1ccc(NC(=O)C(=O)NC[C@H]2C[C@H]3C=C[C@H]2CC3)cc1	817987596	UOQBMRSTICDEAQ-RWMBFGLXSA-N	299.374	1.926	10	20	CDCD	
COCC[C@H]1COCCN1C(=O)c1cc(O)cs1	812744271	DPGCCYVWSCKWJE-VIFPVBQESA-N	271.338	1.331	10	20	CDCD	
CC[C@H](CN1C(=O)CN(Cc2ccccc2O)C1=O)OC	819169479	KGLKOQFNVAYQJL-GFCCVEGCSA-N	292.335	1.581	10	20	CDCD	
CC[C@@H](CS(=O)(=O)Nc1ccc(O)c(F)c1F)OC	817352382	GMDYGTSEHYKKGJ-ZETCQYMHSA-N	295.307	1.837	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@](C)(O)C1CCC1	813514257	ZAZCSCHTQUFRMD-HWPZZCPQSA-N	293.363	1.696	10	20	CDCD	
C[C@@H](NC(=O)CCn1ccccc1=O)c1ccccc1O	827922863	BCPXZXMVMHIOMV-GFCCVEGCSA-N	286.331	1.821	10	20	CDCD	
CCOc1ccc(O)c(CN2CC[C@@H](C(=O)O)C2)c1	820387724	XWLCHFMPYRNSIK-SNVBAGLBSA-N	265.309	1.697	10	20	CDCD	
OC1CCN(c2ccc(CNC3CSC3)cc2)CC1	827662218	OCZJUCDYCLTWET-UHFFFAOYSA-N	278.421	1.853	10	20	CDCD	
CCOC(=O)C1(C(=O)N[C@H](C)c2ccccc2O)CC1	827937261	QBFMCICIVXECHV-SNVBAGLBSA-N	277.320	1.913	10	20	CDCD	
CN(C)c1ccc([C@@H](N)CNC(=O)[C@@H]2CCCOC2)cc1	832278907	GDORTVISYXGSJU-HIFRSBDPSA-N	291.395	1.295	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@H](C)CC(=O)O)c1	832424761	JMXVCEBIVBHMIV-MRVPVSSYSA-N	267.281	1.128	10	20	CDCD	
CN(C)[C@]1(CNC(=O)c2cc(O)cs2)CCSC1	748432620	BIZMWAKZMOURIS-LBPRGKRZSA-N	286.422	1.621	10	20	CDCD	
Nc1ccc(CCNC(=O)NOCCC(F)(F)F)cc1	841883530	YRVAAFLFVFWFPI-UHFFFAOYSA-N	291.273	1.995	10	20	CDCD	
CC[C@]1(NC(=O)NCCc2ccc(N)cc2)CCOC1	841957345	ADYDDVLWFUVYGM-HNNXBMFYSA-N	277.368	1.680	10	20	CDCD	
CC(C)C[C@H](CN)NC(=O)NCc1ccc(N(C)C)cc1	841651921	CFJKJTOBUJLPAY-CQSZACIVSA-N	292.427	1.925	10	20	CDCD	
CCc1cccc(CN2CCN(C(=O)N(C)C)CC2)c1O	848881531	PQBSQWDECLEIRJ-UHFFFAOYSA-N	291.395	1.754	10	20	CDCD	
Nc1ccc(NC(=O)C(=O)N[C@H](C2CCC2)C2CC2)cc1	841141551	LKALWSJJYIFZKL-CQSZACIVSA-N	287.363	1.902	10	20	CDCD	
CCN1C[C@@H](CNCc2cc3c(cc2O)OCO3)CC1=O	846092675	HMTPXCXZRIMNHU-SNVBAGLBSA-N	292.335	1.079	10	20	CDCD	
C[C@H](CC[S@@](C)=O)NC(=O)c1cc(O)cs1	748373622	YVMYCSMQDCDEIC-VGDKGRGNSA-N	261.368	1.341	10	20	CDCD	
CCNC(=O)[C@H](C)N[C@H](C)c1cccc(OC)c1O	846137844	RJMDTIVJGKJNSU-ZJUUUORDSA-N	266.341	1.576	10	20	CDCD	
COc1cc(Cl)cc(CN[C@H](CO)CCF)c1O	846096769	BCCRYEVGTJLBJD-JTQLQIEISA-N	277.723	1.864	10	20	CDCD	
C[C@H](NCCOCCO)c1ccc(Cl)cc1O	841745153	VHVCJMPDIRCFDD-VIFPVBQESA-N	259.733	1.705	10	20	CDCD	
O[C@H]1CCN(CCNCc2ccc3c(c2)CCCO3)C1	922298448	IXDQEDISSTVVGZ-HNNXBMFYSA-N	276.380	1.168	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NCCOCC(F)F)c1	858384174	HRUQXMQURGGMMG-UHFFFAOYSA-N	288.294	1.782	10	20	CDCD	
COc1ccc(N2CCN(CN3CCC3=O)CC2)cc1F	857234313	HNAIKDWJVSQJRS-UHFFFAOYSA-N	293.342	1.146	10	20	CDCD	
CCN(CC)c1ccc(CNCCN2CC[C@H](O)C2)cc1	858338642	JHNBCRCPHMQZHL-KRWDZBQOSA-N	291.439	1.689	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)CCc2nc(C)no2)c1	862759761	KSYGVHZJNVAJAD-UHFFFAOYSA-N	275.308	1.641	10	20	CDCD	
CN(C)c1cc(F)c(CN=c2nc[nH]n2C)cc1F	865291450	XSCXGDAUQOVMNP-UHFFFAOYSA-N	267.283	1.193	10	20	CDCD	
CCN1C[C@@H](NC(=O)N[C@H](C)c2ccccc2O)CC1=O	868674116	GSGDRWXUUOIJTH-MNOVXSKESA-N	291.351	1.373	10	20	CDCD	
COC1CCN(Cc2cc3c(cc2O)OC[C@@H]3O)CC1	768442024	NRGZRUMROQBEEP-AWEZNQCLSA-N	279.336	1.429	10	20	CDCD	
CNC(=O)NC1CCN(Cc2c(C)cccc2O)CC1	877591391	CZVCOMZRGKCXPB-UHFFFAOYSA-N	277.368	1.594	10	20	CDCD	
Cc1ccc(C(=O)N2CCO[C@@H]3COCC[C@@H]32)c(O)c1O	888779845	ZOVRIMPQKUSUBG-NWDGAFQWSA-N	293.319	1.036	10	20	CDCD	
CCNC(=O)CNCc1cc(Cl)cc(F)c1O	777444592	OHPAIZRLRZUCLH-UHFFFAOYSA-N	260.696	1.410	10	20	CDCD	
C[C@H]1CN(Cc2cc(Cl)cc(F)c2O)CCN1	775638436	DERPXKKUYSQLGO-QMMMGPOBSA-N	258.724	1.978	10	20	CDCD	
COC(=O)C1CCN(C(=O)NCc2ccc(N)cc2)CC1	1120591808	JSVONOGPFQDFRT-UHFFFAOYSA-N	291.351	1.363	10	20	CDCD	
Cc1ccc(C(=O)N2CC(=O)Nc3cnccc32)c(O)c1O	780953445	WWLKWWQYVADRMS-UHFFFAOYSA-N	299.286	1.400	10	20	CDCD	
COc1cc(C)cc(CN2CC[C@@H](O)[C@@H](C)C2)c1O	894497617	NDUUCJSCLHQEPR-WCQYABFASA-N	265.353	1.912	10	20	CDCD	
Cc1ccc(C(=O)NCc2nccn2C)c(O)c1O	780929790	YZSUFABETLCUGF-UHFFFAOYSA-N	261.281	1.070	10	20	CDCD	
CC(C)[C@H](NC(=O)NCc1ccc(N(C)C)cc1)C(=O)O	780348947	BQVAZNQAPFXIFX-ZDUSSCGKSA-N	293.367	1.661	10	20	CDCD	
COc1cc(C)cc(CNCc2nc(C3CC3)n[nH]2)c1O	894876638	LOJIQBJDZYQXGT-UHFFFAOYSA-N	288.351	1.995	10	20	CDCD	
COc1ccc(CNC(=O)[C@H]2CCO[C@@H]2C)c(O)c1	794372586	BBHKNYSSEKINIS-SKDRFNHKSA-N	265.309	1.442	10	20	CDCD	
CCCn1cc(C(=O)NCc2ccc(OC)cc2O)cn1	794377272	QUKZXCMJLZHKPM-UHFFFAOYSA-N	289.335	1.937	10	20	CDCD	
COc1ccc(CNC(=O)CN(C)C(C)C)c(O)c1	794371191	YFHQJBGSVRSCGI-UHFFFAOYSA-N	266.341	1.357	10	20	CDCD	
C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)Cc1ccc(N)cc1	1334773925	BAFAFKPRHCYIDQ-WDEREUQCSA-N	270.398	1.522	10	20	CDCD	
C[C@H]1CCN(CCNC(=O)c2cccc(O)c2O)C1	1347824604	BZDAKRNYGNMCQD-JTQLQIEISA-N	264.325	1.169	10	20	CDCD	
CS(=O)(=O)Cc1noc(CSc2nccs2)n1	1318724005	UNOVMIRNWPZZTB-UHFFFAOYSA-N	291.379	1.363	10	20	CDCD	
COC[C@@H](OC)C(=O)Nc1c(Cl)ccc2nonc12	1331446472	AUMBVYZNOQJNLD-MRVPVSSYSA-N	285.687	1.476	10	20	CDCD	
Cc1ccc(C(=O)OC[C@@H]2CN(C)C(=O)O2)c(O)c1O	1261238143	RQZYXKRCYJVQPM-QMMMGPOBSA-N	281.264	1.014	10	20	CDCD	
COc1cccc(O)c1CNCC1([S@](C)=O)CCC1	797903119	OQPRAFZXTFSBBB-IBGZPJMESA-N	283.393	1.792	10	20	CDCD	
CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)NCc1ccc(N)cc1	1353351770	OQJBSBXAGRAGIW-MCIONIFRSA-N	289.379	1.882	10	20	CDCD	
CO[C@]1(C(=O)NCc2cccc(O)c2O)CCSC1	1352672331	VCTONZIXAJLLGS-CYBMUJFWSA-N	283.349	1.236	10	20	CDCD	
CO[C@@]1(C)C[C@H]1N[C@@H](C)c1cc(C(=O)O)ccc1O	1607002288	DFWTUGQEXMDFAB-PELMWDNLSA-N	265.309	1.918	10	20	CDCD	
CN(C)c1cc(F)c(CN[C@@H](CF)C(=O)O)cc1F	1606049994	HXJUZXIUGAVYSH-JTQLQIEISA-N	276.258	1.543	10	20	CDCD	
C[C@@H]1CCN[C@H](C(=O)N2Cc3cccc(O)c3C2)C1	1576744424	JAOAFGRGZPMFCL-MFKMUULPSA-N	260.337	1.623	10	20	CDCD	
Nc1ccc(CCNC(=O)c2ccc(CO)nc2)cc1	1580443562	QCUOCDRTFGQAFA-UHFFFAOYSA-N	271.320	1.129	10	20	CDCD	
CN(C)c1ccc(C(=O)NCc2ccc(O)c(O)c2)cn1	158916520	OICADQGHDQHGRL-UHFFFAOYSA-N	287.319	1.489	10	20	CDCD	
C[C@@H](NC(=O)Cc1ccc(N)cc1)[C@H]1CCCNC1	832497489	HBYOOVNWZROXMC-YPMHNXCESA-N	261.369	1.316	10	20	CDCD	
O=C1CC[C@@H]2CN(Cc3cc(F)ccc3O)CCN12	226563801	DIKCFJABJCYXCR-GFCCVEGCSA-N	264.300	1.338	10	20	CDCD	
CCN(C[C@@H]1CCOC1)C(=O)Cc1ccc(N)cc1	37827202	OYAMOOULVCHLFQ-ZDUSSCGKSA-N	262.353	1.696	10	20	CDCD	
CN(C[C@H]1CCCCO1)C(=O)Cc1ccc(N)cc1	48946525	WFXDCLYYNAWIEU-CQSZACIVSA-N	262.353	1.839	10	20	CDCD	
CN1[C@H]2CC[C@H]1CC(NC(=O)c1cccc(O)c1O)C2	322590425	JUTKIJVNIZAZMB-QWRGUYRKSA-N	276.336	1.453	10	20	CDCD	
C[C@@H](N[C@@H]1COCC[C@H]1O)c1cc(F)ccc1O	710914615	YBMDSRVYANIGPN-XTWCZFFVSA-N	255.289	1.332	10	20	CDCD	
COCCCC(=O)NCc1ccc(N2CCOCC2)cc1	54284044	SLOGENKQVPIRIT-UHFFFAOYSA-N	292.379	1.566	10	20	CDCD	
Cc1cccc(CN2CCC(CC(N)=O)CC2)c1O	179720143	RRKOAEIGVBLTBM-UHFFFAOYSA-N	262.353	1.788	10	20	CDCD	
COCC[C@@H](C)NCc1cc2c(cc1O)OCO2	112018176	WSGIAWXQVOOYFD-SECBINFHSA-N	253.298	1.636	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC[C@@H]2CN(C)CCN2C)c1	68800734	VMARKXLLIVRCGL-QWHCGFSZSA-N	293.411	1.297	10	20	CDCD	
COc1ccc(CNC(=O)[C@@H]2CCC[C@H]2OC)c(O)c1	1358185381	KGFCOBXXXKUNOE-TZMCWYRMSA-N	279.336	1.832	10	20	CDCD	
CN(Cc1nccn1C(F)F)C(=O)c1cccc(O)c1O	188143441	KOUUYSLVAUZUIK-UHFFFAOYSA-N	297.261	1.962	10	20	CDCD	
O=C(Nc1ccc(-n2cccn2)nc1)c1cccc(O)c1O	188126445	FEPHIXYGEANDDV-UHFFFAOYSA-N	296.286	1.931	10	20	CDCD	
CCN/C(C)=C(/C(=O)OC)c1cc(O)ccc1O	38534740	GDQQFDFDXPTWOS-XYOKQWHBSA-N	251.282	1.611	10	20	CDCD	
Cc1ccc(C(=O)NC[C@H](O)c2ccccc2)c(O)c1O	182618457	XXSVAVKXFFRMIE-ZDUSSCGKSA-N	287.315	1.870	10	20	CDCD	
Cc1ccc(C(=O)N2CCO[C@H](C)[C@H]2C)c(O)c1O	182822101	CSCBHARSEXUQOO-NXEZZACHSA-N	265.309	1.656	10	20	CDCD	
Oc1ccc(F)cc1CN1CCN(C[C@@H]2CCOC2)CC1	180231555	ZPJHVNSGMOZGQU-ZDUSSCGKSA-N	294.370	1.685	10	20	CDCD	
Cc1cc(C(=O)NCCCCN)c(C)n1-c1ccccn1	237588171	DGZHCBIXWBYRQP-UHFFFAOYSA-N	286.379	1.958	10	20	CDCD	
CCn1nncc1CNCc1cc(C)c(C)cc1O	527725583	FOSGVIBZYYEYJD-UHFFFAOYSA-N	260.341	1.910	10	20	CDCD	
C[C@H]1OCC[C@@]1(O)CNCc1ccc(N(C)C)c(F)c1	278748261	WBSNWOJQPHYRLP-IAQYHMDHSA-N	282.359	1.521	10	20	CDCD	
C[C@H](NC[C@@H]1CN(C)CCN1C)c1cc(Cl)ccc1O	273610938	VTWVESFEYFFBDP-WCQYABFASA-N	297.830	1.942	10	20	CDCD	
C[C@H]1C[C@@H](C)O[C@@H]1C(=O)NCCc1ccc(O)c(O)c1	282291936	FQONDFPJXNKBPK-RBZYPMLTSA-N	279.336	1.570	10	20	CDCD	
C[C@@H](NCCCn1cc(CO)nn1)c1ccc(F)cc1O	289712767	JDZXUGDSKFWCGL-SNVBAGLBSA-N	294.330	1.356	10	20	CDCD	
COC[C@H](CO)N[C@H](C)c1cc2c(cc1O)CCCC2	281004005	NTPMXMZAVHRNPH-RISCZKNCSA-N	279.380	1.929	10	20	CDCD	
CC[C@@H]1C[C@H]1NC(=O)NCc1cccc(OC)c1O	280722322	HUBJHHWBYKEFGN-MWLCHTKSSA-N	264.325	1.999	10	20	CDCD	
CNC(=O)[C@H](CCSC)NCc1cc(OC)ccc1O	809784224	IVIIMAHQKXMHBG-LBPRGKRZSA-N	298.408	1.358	10	20	CDCD	
CCCS(=O)(=O)CC(=O)N(C)Cc1ccccc1O	299068101	DXLMLPWUEUREFN-UHFFFAOYSA-N	285.365	1.175	10	20	CDCD	
CC[C@H](NCC(=O)N1CCNCC1)c1ccc(F)cc1O	817946466	XWEZIUIFKQRBEL-ZDUSSCGKSA-N	295.358	1.004	10	20	CDCD	
Oc1ccccc1CN1CCC(n2cnnc2O)CC1	813328162	OCSIDVCOCCODKT-UHFFFAOYSA-N	274.324	1.526	10	20	CDCD	
CN(C)c1ccc(CNC(=O)/C=C\[C@H]2CCOC2)cc1	822227154	XIKDOZCEKBFPCE-PODYEWJSSA-N	274.364	1.962	10	20	CDCD	
CCN1C[C@@H](NCc2cc([N+](=O)[O-])ccc2O)CC1=O	824887018	ONWDQUHAXBOVOO-JTQLQIEISA-N	279.296	1.011	10	20	CDCD	
CCc1cccc(CN2CCCN(C=O)CC2)c1O	827868224	ZCHOFJMHGKGLPF-UHFFFAOYSA-N	262.353	1.619	10	20	CDCD	
O=C(NCCOC[C@@H]1CCOC1)c1c(F)ccc(O)c1O	825791685	SNDXEGMRPAFUQK-SECBINFHSA-N	299.298	1.020	10	20	CDCD	
CC(C)[C@H](C(=O)O)C(=O)N[C@H](C)c1ccccc1O	902516531	GZVZPRZKYBXIAU-SKDRFNHKSA-N	265.309	1.926	10	20	CDCD	
COc1cccc(O)c1CN1CC(C(C)(C)O)C1	839139507	HIJADGHINDIVKG-UHFFFAOYSA-N	251.326	1.604	10	20	CDCD	
O=C(Cn1cc(C2CC2)cn1)NCc1ccc(O)cc1O	910943516	NHYOAGFLUXCJSR-UHFFFAOYSA-N	287.319	1.488	10	20	CDCD	
COc1ccc(CNC(=N)NC2CCCC2)c(O)c1	849025241	VNQYBRIOOVBHLW-UHFFFAOYSA-N	263.341	1.957	10	20	CDCD	
Cc1cc(O)c(CN[C@@H]2CCCS(=O)(=O)C2)cc1C	747811060	JUJHUBKYKNSLHY-CYBMUJFWSA-N	283.393	1.676	10	20	CDCD	
Cc1cc(C(=O)NCc2ccc(N(C)C)c(F)c2)nn1C	746803147	MRJJTNZJBVWFME-UHFFFAOYSA-N	290.342	1.864	10	20	CDCD	
COC(=O)C(C)(C)CCNC(=O)Nc1ccc(N)cc1	841300617	XTGKGKFDEFNJNP-UHFFFAOYSA-N	279.340	1.980	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNCCCn1cncn1	840931747	JQTLEPALRNWHPK-UHFFFAOYSA-N	273.384	1.832	10	20	CDCD	
CCOc1ccc(CNC[C@H](C)C(=O)O)c(O)c1	848637721	LHSUGNBPVFUOLO-VIFPVBQESA-N	253.298	1.601	10	20	CDCD	
COc1cccc([C@H](C)NCc2nccn2C)c1O	846147749	VKPWFMUYMQTFAN-JTQLQIEISA-N	261.325	1.985	10	20	CDCD	
COc1ccc(CNC(=O)[C@H]2CCC(=O)C2)c(O)c1	843874130	FRYXWWJFASABCZ-VIFPVBQESA-N	263.293	1.386	10	20	CDCD	
COc1ccc(O)c(CN(C)C2CCNCC2)c1	843044277	BOCRNZHEFGJHAO-UHFFFAOYSA-N	250.342	1.585	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC[C@H]1CNCCCO1	841086411	NLIWYZXNQGXHNI-MRXNPFEDSA-N	277.412	1.529	10	20	CDCD	
C[C@@H](CN)N(C)C(=O)NCc1ccc(N2CCCC2)cc1	841710584	ZEZFXCKJWMQIIN-ZDUSSCGKSA-N	290.411	1.775	10	20	CDCD	
C[C@H]1C[C@@H]1C(=O)NCc1ccc(N2CCC(O)CC2)cc1	856208016	FYGSMEBZBWXXDT-LRDDRELGSA-N	288.391	1.920	10	20	CDCD	
CN(C)C(=O)[C@H]1CCN(C(=O)c2cc(O)cs2)C1	854934029	JQTKPGONGZVKMS-QMMMGPOBSA-N	268.338	1.004	10	20	CDCD	
CCOc1ccc(O)c(CN[C@H](C)C(=O)N(C)OC)c1	858325423	XQWNGCRBSZWRLR-SNVBAGLBSA-N	282.340	1.289	10	20	CDCD	
Cc1nn(C)cc1CC(=O)NCc1ccccc1O	857472384	SCQAEBHJGPSQFB-UHFFFAOYSA-N	259.309	1.293	10	20	CDCD	
Cc1ccc([C@H](C)NC[C@H](C)S(C)(=O)=O)c(O)c1	697580935	XUICKBNNTCHNMZ-QWRGUYRKSA-N	271.382	1.784	10	20	CDCD	
CCOc1ccc(CN2CC[C@](C)(O)C2)c(O)c1	769541639	FBEQQDXINLGANC-AWEZNQCLSA-N	251.326	1.748	10	20	CDCD	
COc1ccccc1C(=O)C(=O)NCc1ccccc1O	760919663	VXZQTOLZPWXOTL-UHFFFAOYSA-N	285.299	1.900	10	20	CDCD	
CCOc1ccc(O)c(CN2CCNC(C)(C)C2)c1	769191708	IOHAHBRJJAXDCN-UHFFFAOYSA-N	264.369	1.975	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)c1cccc2[nH]ncc12	767773067	LKEGPUGQHCQVCL-UHFFFAOYSA-N	297.314	1.947	10	20	CDCD	
CCN(C)c1ccc(CN2C[C@H](O)C[C@@]2(C)CO)cc1	878983900	OEEXECLFYZPGNG-CVEARBPZSA-N	278.396	1.460	10	20	CDCD	
COCCN(CCO)Cc1ccc(N2CCCC2)cc1	1116443664	ADODYKVXXGBUBL-UHFFFAOYSA-N	278.396	1.728	10	20	CDCD	
COc1ccc(N2CCN(C[C@@H](C)CO)CC2)c(OC)c1	879461678	FWDDUQLVYSDQEA-CYBMUJFWSA-N	294.395	1.454	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@]2(C)CCCOC2)c1O	775051660	OXXODHJAHLEUBV-CQSZACIVSA-N	296.323	1.968	10	20	CDCD	
COCCNC(=O)C1(N[C@@H](C)c2c(O)cccc2F)CC1	886625302	NDMMMGQBEZRNEN-JTQLQIEISA-N	296.342	1.477	10	20	CDCD	
COc1ccc(CNS(=O)(=O)C2CCC2)c(O)c1	882147941	RKWQWEQJHJHNSH-UHFFFAOYSA-N	271.338	1.373	10	20	CDCD	
CCOc1cccc(CN2CCO[C@@H](OC)C2)c1O	895971078	WVUICKYYWOOOOL-CYBMUJFWSA-N	267.325	1.596	10	20	CDCD	
CO[C@H]1CN(Cc2cc(Cl)ccc2O)CCO1	895970723	UTMLFNNJNYAECL-GFCCVEGCSA-N	257.717	1.850	10	20	CDCD	
C[C@H]1OCC[C@@]12CN(C(=O)c1cc(O)cs1)CCO2	792674435	QIUDXXVFLZXXSQ-NOZJJQNGSA-N	283.349	1.474	10	20	CDCD	
COc1ccc(CN2CC3(CCOC3)C2)c(O)c1OC	894650153	XWJUDDZBHDXINI-UHFFFAOYSA-N	279.336	1.632	10	20	CDCD	
O=C(c1ccco1)N1CCN(Cc2ccccc2O)CC1	84857711	KARNNMHRFQHGAZ-UHFFFAOYSA-N	286.331	1.943	10	20	CDCD	
CN(C(=O)c1cccc(O)c1O)C1CCC(CO)CC1	185840146	MBBXNBUZAOVEEV-UHFFFAOYSA-N	279.336	1.721	10	20	CDCD	
CCOc1cccc(CN[C@@H]2CCOC[C@H]2O)c1O	706732906	DLPWMIBQKZBVCZ-VXGBXAGGSA-N	267.325	1.030	10	20	CDCD	
C[C@H]1N(C(=O)c2cccc(O)c2O)CCOC1(C)C	707348330	PINGILRZGGXYOH-SECBINFHSA-N	265.309	1.737	10	20	CDCD	
C[C@@H](CN1CCOCC1)NCc1cc(F)cc(F)c1O	708393477	FTBYTBZNQUAASF-JTQLQIEISA-N	286.322	1.481	10	20	CDCD	
C[C@H](NCCCN1CCOCC1)c1cc(F)ccc1O	94616923	UUPSRNSLSFPCHA-LBPRGKRZSA-N	282.359	1.904	10	20	CDCD	
C[C@@H](NCc1nnc2n1CCOC2)c1cc(F)ccc1O	1343549322	YPFOCMHSMKJIJM-SECBINFHSA-N	292.314	1.504	10	20	CDCD	
Cc1nc(CNC(=O)c2cc(O)cs2)oc1C	1347230848	ZNLHSFBKBRDCPC-UHFFFAOYSA-N	252.295	1.989	10	20	CDCD	
COc1ccc(O)c([C@H](C)NCC2(C(=O)O)CC2)c1	1607276939	FYLMHRDFLMIWJL-VIFPVBQESA-N	265.309	1.916	10	20	CDCD	
O=C(O)C[C@]1(NCc2ccc3c(c2)CCCO3)CCOC1	1608688727	SLAZNRXUKLRZBY-MRXNPFEDSA-N	291.347	1.735	10	20	CDCD	
O=C(CCNC1CC1)Nc1c(Cl)ccc2nonc12	1580537998	KGRQIMZQNAMPAZ-UHFFFAOYSA-N	280.715	1.957	10	20	CDCD	
COCCOC[C@H](C)N[C@@H](C)c1cc(C(=O)O)ccc1O	1599248922	ACNPNDIFBDOXKR-QWRGUYRKSA-N	297.351	1.793	10	20	CDCD	
COc1cccc(O)c1CN[C@H]1C[C@H](C(=O)O)C1	1599680408	PERRKJPXXDXSMW-KYZUINATSA-N	251.282	1.354	10	20	CDCD	
C[C@@H]1C[C@H]1[C@@H](NCc1ccc(N(C)C)cc1)C(=O)O	1776602870	CIDAUGVTHXTWLC-LERXQTSPSA-N	262.353	1.951	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCC[C@@H](CCO)C1	126616912	NRCXXHIZIZAZSP-JTQLQIEISA-N	265.309	1.332	10	20	CDCD	
COC[C@H](O)CCN[C@@H]1CCc2cccc(O)c21	296897372	OSPIYKLEHFFAKG-VXGBXAGGSA-N	251.326	1.367	10	20	CDCD	
CO[C@]1(C(=O)O)CCN(Cc2ccc(N(C)C)cc2)C1	703783048	HKUUNZIIPXPQTI-OAHLLOKOSA-N	278.352	1.428	10	20	CDCD	
C[C@@H](N[C@H]1CCCN(C)C1=O)c1ccc(F)cc1O	704356764	NFVIKRPSNXNWOH-SKDRFNHKSA-N	266.316	1.803	10	20	CDCD	
COC(=O)NCC(=O)NCc1ccc(N2CCCC2)cc1	53485571	LCKQLLBMBPXHQL-UHFFFAOYSA-N	291.351	1.259	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCOCC1	115640359	QWTCBWLDUMAGCY-UHFFFAOYSA-N	277.368	1.603	10	20	CDCD	
C[C@@H](NCCOCCO)c1cc(Cl)ccc1O	184886683	HHMDBVKLSRJSEJ-SECBINFHSA-N	259.733	1.705	10	20	CDCD	
CSCCNC1=NN=C(c2cccn2C)CS1	180255949	IRQLZRGDPQXAKH-UHFFFAOYSA-N	268.411	1.785	10	20	CDCD	
O=C(COc1ccccc1)NCCc1ccc(O)c(O)c1	98074457	QFVDUEVVZCNXMP-UHFFFAOYSA-N	287.315	1.836	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NCC(C)(C)O)cc1	264488798	NPBIRKRJSFUDMX-UHFFFAOYSA-N	265.357	1.323	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1cncc(O)c1	279326076	CFSHONBRSXHYQW-UHFFFAOYSA-N	299.330	1.892	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)NC[C@H](C)CCO)c1	273575652	LQZKXPYFLBJXHT-GHMZBOCLSA-N	281.352	1.848	10	20	CDCD	
COc1cccc(CNCc2cn(C(C)C)nn2)c1O	289449946	NBHBJBLKVUYCTN-UHFFFAOYSA-N	276.340	1.863	10	20	CDCD	
COc1cccc(CN(C)C[C@@H](O)C2CC2)c1O	809751485	IGNPHKCXKLPNOT-GFCCVEGCSA-N	251.326	1.604	10	20	CDCD	
CCCNCCN[C@@H](C)c1cc([N+](=O)[O-])ccc1O	817963300	TWQYNHVPMLSLMF-JTQLQIEISA-N	267.329	1.951	10	20	CDCD	
COC[C@@H](C)[C@@H](C)C(=O)NCc1ccc(OC)cc1O	812561424	NJFZSPIGLYMRGQ-GHMZBOCLSA-N	281.352	1.936	10	20	CDCD	
CS(=O)(=O)[C@H]1CCCC[C@H]1NCCc1ccc(N)cc1	817956030	OEKWFYFSLRUZCE-CABCVRRESA-N	296.436	1.757	10	20	CDCD	
CCOc1ccc(O)c(CNC[C@H]2CCOC[C@@H]2OC)c1	824708990	LQHGQQTZDPVIKQ-WBMJQRKESA-N	295.379	1.932	10	20	CDCD	
CCNC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1	837575315	SXRYMIXEAFATQR-UHFFFAOYSA-N	299.321	1.621	10	20	CDCD	
CO[C@H]1COCC[C@@H]1CNC(=O)NCc1ccccc1O	836573893	KDAUECXPMFBQTC-OCCSQVGLSA-N	294.351	1.243	10	20	CDCD	
CCOCCCC(=O)NC[C@@H](N)c1ccc(N(C)C)cc1	832300425	VNPNWTVSAIBTBG-OAHLLOKOSA-N	293.411	1.685	10	20	CDCD	
CN(Cc1nnc2ccccn12)C(=O)c1cc(O)cs1	733360568	LTLNTLDZVNSFMV-UHFFFAOYSA-N	288.332	1.769	10	20	CDCD	
Cc1nc(NCc2ccc(N3CCN(C)CC3)cc2)n[nH]1	834475091	KXIYOPBNHUSRAA-UHFFFAOYSA-N	286.383	1.477	10	20	CDCD	
Cc1cccnc1C(=O)NC[C@H](N)c1ccc(N(C)C)cc1	832267618	XWBRQHMDXXOXJL-HNNXBMFYSA-N	298.390	1.886	10	20	CDCD	
Cn1nc(C(=O)NCc2ccc(O)cc2O)cc1C1CC1	910950170	DOLULMXOVZOQIE-UHFFFAOYSA-N	287.319	1.639	10	20	CDCD	
CC(C)N1CC[C@@H](OC(=O)c2cc(O)cs2)C1=O	746982544	OFDRCXQRDGYFOF-SECBINFHSA-N	269.322	1.620	10	20	CDCD	
CCOc1cccc(CN[C@@H]2CCCNC2)c1O	841043792	WIFBJJPXZFMJLR-GFCCVEGCSA-N	250.342	1.633	10	20	CDCD	
CN1CCN(C(=O)CSc2nccs2)CC1	917525616	DHWXQWIUCYBBPT-UHFFFAOYSA-N	257.384	1.009	10	20	CDCD	
C[C@@H]1CN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CCN1	841880712	GRNUHUKBJJRGBT-CHWSQXEVSA-N	290.411	1.817	10	20	CDCD	
COCCCCNC(=O)NCCc1ccc(N)cc1	841698830	QKJCXIWUPAGJHG-UHFFFAOYSA-N	265.357	1.537	10	20	CDCD	
C[C@@H]1C[C@@H](NC[C@H]2CNC(=O)C2)c2c(O)ccc(F)c21	840833083	JHBLVTGJTHSOPN-WCABBAIRSA-N	278.327	1.805	10	20	CDCD	
CCOc1ccc(O)c(CN2CC[C@H](N)[C@H](C)C2)c1	843052442	UDJWKNBGRRPBPM-RISCZKNCSA-N	264.369	1.960	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@H]2COC[C@H]2OC)c1	840826693	SIEYAGNIRJMYIO-DUFXMDAXSA-N	295.335	1.243	10	20	CDCD	
OC[C@H]1CN(Cc2cc(Cl)c(F)cc2O)CC[C@@H]1O	840975636	PMCOQUXYTNTMIQ-SKDRFNHKSA-N	289.734	1.360	10	20	CDCD	
COc1cccc([C@H](C)NCCNC(=O)C(C)C)c1O	846136487	IWDCEHXIZDQYMT-NSHDSACASA-N	280.368	1.824	10	20	CDCD	
COC[C@@](C)(NCc1ccc(OC)c(C)c1)C(=O)O	841800290	BXBXAKGVKPDGCT-CQSZACIVSA-N	267.325	1.583	10	20	CDCD	
CC[C@H]1CN(C(=O)C(=O)Nc2ccc(N)cc2)[C@H](C)CO1	846320444	BGQAYZLAXCVDPS-MFKMUULPSA-N	291.351	1.233	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)N[C@H]2C[C@H](OC)C2)c1	858984903	LEUCSCXHTNSAGN-CKYFFXLPSA-N	294.351	1.938	10	20	CDCD	
COc1ccc(CN[C@H]2C[C@H](NC(C)=O)C2)cc1C	1019904890	DRPRJGBIGGQOEH-HDJSIYSDSA-N	262.353	1.760	10	20	CDCD	
COc1ccc(CNC(=O)C2(C(=O)O)CC=CC2)c(O)c1	852942307	HUGVKNUERNLLLU-UHFFFAOYSA-N	291.303	1.438	10	20	CDCD	
C[C@@H](NCCN1CC[C@@H](O)C1)c1ccc(N(C)C)cc1	858547197	FKGJRQVNBYRSLM-CZUORRHYSA-N	277.412	1.470	10	20	CDCD	
CCN(C(=O)c1cc(O)cs1)[C@H]1CCS(=O)(=O)C1	752611004	JHDZJYFGZZJPJF-QMMMGPOBSA-N	289.378	1.103	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NCC2([S@](C)=O)CC2)c1	858426265	ODAAQAJFEVXSGO-FQEVSTJZSA-N	296.392	1.411	10	20	CDCD	
CC(=O)NCCCN[C@@H](C)c1cc(F)cc(F)c1O	756371833	NRPCFNFQLWLLDU-QMMMGPOBSA-N	272.295	1.847	10	20	CDCD	
Cc1nc([C@H]2CCCN(C(=O)c3cc(O)cs3)C2)n[nH]1	761604084	XBTDIXLMJXVQQH-VIFPVBQESA-N	292.364	1.900	10	20	CDCD	
COc1cc(NC(=O)NCc2ccc(N(C)C)cc2)[nH]n1	861385365	OQXXQLNMAMXICK-UHFFFAOYSA-N	289.339	1.806	10	20	CDCD	
OCC[C@@H](NCc1ccccc1O)C1CCOCC1	763468431	YXHFUWZUSSXHLA-CQSZACIVSA-N	265.353	1.659	10	20	CDCD	
CCOC(=O)c1nc(=N[C@H](C)c2ccccc2O)cc[nH]1	866237343	IJROWPZUXKMXRC-SNVBAGLBSA-N	287.319	1.954	10	20	CDCD	
COC(=O)C[C@@]1(NCc2cc(Cl)ccc2O)CCOC1	766469080	NMLYPWTYOVJJBJ-AWEZNQCLSA-N	299.754	1.857	10	20	CDCD	
CN(C(=O)[C@@H]1CCCN1C(=O)C1CC1)c1ccc(N)cc1	877076964	YSTUKJKGOUYSJU-AWEZNQCLSA-N	287.363	1.633	10	20	CDCD	
CN1CCN(c2ccc(CNC(=O)CC3CC3)cc2)CC1	1119440607	PUUTXHDZLOFVAK-UHFFFAOYSA-N	287.407	1.855	10	20	CDCD	
Cc1cc(CNCc2ccc(N3CCN(C)CC3)cc2)n[nH]1	1119282360	FEXUXAQJWUGXJD-UHFFFAOYSA-N	299.422	1.760	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)c1ccn(C(F)F)n1	775780128	LYBNTBLGKHWICL-UHFFFAOYSA-N	297.261	1.662	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2ccc3cccnn23)c1	777802641	TVNKSLVUTKRODY-UHFFFAOYSA-N	297.314	1.979	10	20	CDCD	
COc1ccc(O)c(CN[C@@H](C)Cn2cncn2)c1	776070299	JTPYSZHCEYNCDL-JTQLQIEISA-N	262.313	1.171	10	20	CDCD	
CN1CCN(c2ccc(CNCC3(O)CCC3)cc2)CC1	771850959	WTCDACJHPMPHBB-UHFFFAOYSA-N	289.423	1.443	10	20	CDCD	
O=C(/C=C/[C@@H]1CCOC1)NCc1cccc(O)c1O	1123977635	KOABPJOQOQHEKX-ORAHPGNNSA-N	263.293	1.307	10	20	CDCD	
COc1ccc(O)c(CNCc2nnnn2CC2CC2)c1	770669452	XPSCCIFKMVFUHL-UHFFFAOYSA-N	289.339	1.087	10	20	CDCD	
Cc1nccn1CCn1cc(COc2ccc(N)cc2)nn1	881262360	WBTXIAAUNNAVIK-UHFFFAOYSA-N	298.350	1.644	10	20	CDCD	
COc1cccc(O)c1CNCc1nc(N(C)C)no1	789554009	FJSJQOKXLCISIT-UHFFFAOYSA-N	278.312	1.140	10	20	CDCD	
C[C@H](NC[C@H](C)N1CCN(C)CC1)c1c(O)cccc1F	886524892	STLUZRJZKQLECJ-STQMWFEESA-N	295.402	1.818	10	20	CDCD	
COC(=O)[C@@H](CC(F)F)NCc1cc(F)ccc1O	789578555	BSNWOYXYRSVFKM-SECBINFHSA-N	277.242	1.818	10	20	CDCD	
COCC[C@]1(NCc2cc(C)cc(OC)c2O)CCOC1	894578860	WDCFEZOAGOYMDN-INIZCTEOSA-N	295.379	1.994	10	20	CDCD	
CN(Cc1cc(F)cc(F)c1O)[C@@H]1CCCCNC1=O	893983820	GJZXYAJOLHNGJI-GFCCVEGCSA-N	284.306	1.771	10	20	CDCD	
Oc1ccc(Br)cc1CN[C@H]1COC[C@H]1O	134221256	JVXMGGWPDMGOMI-GXSJLCMTSA-N	288.141	1.004	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CCC[C@@H]2C(N)=O)c1O	50133231	KAJMDIOVRKDAGP-GFCCVEGCSA-N	280.299	1.184	10	20	CDCD	
CCN(C)C(=O)CN[C@H](C)c1ccc(F)cc1O	186821418	UXBZCNTXHSPMED-SECBINFHSA-N	254.305	1.660	10	20	CDCD	
CCOc1ccc(N2CCN(CCC(=O)OC)CC2)cc1	1325996146	XIHHMTMBQINIKW-UHFFFAOYSA-N	292.379	1.770	10	20	CDCD	
COc1cccc(CNC[C@H]2CCCCS2(=O)=O)c1O	694596109	KSYAERWTEIOPGK-GFCCVEGCSA-N	299.392	1.458	10	20	CDCD	
C[C@H]1C[C@@H](NC(=O)NCc2ccc(N)cc2)c2nccn21	1335539258	PSAPOQSRVCOXQA-GXFFZTMASA-N	285.351	1.971	10	20	CDCD	
COc1ccc(CNC(=O)NC[C@H]2CCOC2)c(O)c1	1348385188	SOBBRQUENWAGNO-SNVBAGLBSA-N	280.324	1.237	10	20	CDCD	
COc1cccc(CNC2(CC(=O)O)CC2)c1O	1607322866	MLKFQNOZDIXTGO-UHFFFAOYSA-N	251.282	1.498	10	20	CDCD	
COc1cccc(CN[C@H]2CC[C@@H](C(=O)O)C2)c1O	1599674267	NDZRWIQDUVAWND-KOLCDFICSA-N	265.309	1.744	10	20	CDCD	
NC(=O)[C@@H]1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2O)C1	157114764	AXFHKRWGKYUDPN-SSDOTTSWSA-N	299.714	1.261	10	20	CDCD	
CCC[C@](C)(O)C(=O)NCCc1ccc(O)c(O)c1	157997721	RRABPJSOHSLLTQ-AWEZNQCLSA-N	267.325	1.308	10	20	CDCD	
COCCC1(C(=O)NCCc2ccc(N)cc2)CC1	818544978	ZUFKJUXDVBIUII-UHFFFAOYSA-N	262.353	1.744	10	20	CDCD	
Nc1ccc(CN2CC(=O)N[C@@H]3CCCC[C@@H]32)cc1	1120263955	XUIUNFQIOURBDS-KGLIPLIRSA-N	259.353	1.512	10	20	CDCD	
CC(C)(C)C(=O)NCCC(=O)Nc1ccc(N)cc1	236783361	QCSNVEQACJENKK-UHFFFAOYSA-N	263.341	1.760	10	20	CDCD	
CC(=O)c1cc(Cl)cc(CN(C)C(C)(C)C(N)=O)c1O	295742484	PWZYIKACHOJBOI-UHFFFAOYSA-N	298.770	1.944	10	20	CDCD	
C[C@@H](C(=O)N(C)C)N1CCCc2cc(CN)ccc21	700809622	RINYVPDMJYYRBP-NSHDSACASA-N	261.369	1.375	10	20	CDCD	
CNC(=O)NC1CCN(Cc2ccc(N)cc2)CC1	702138438	BXPFYYYIVAHSLZ-UHFFFAOYSA-N	262.357	1.162	10	20	CDCD	
C[C@H]1C[C@@H](C(=O)O)CN(C(=O)Cc2ccc(N)cc2)C1	398710717	XAYGXYGRUFBWSE-CMPLNLGQSA-N	276.336	1.381	10	20	CDCD	
C[C@H](NCc1nncn1C)c1ccc(F)cc1O	62747797	RHUVFPXVTUBZSE-QMMMGPOBSA-N	250.277	1.511	10	20	CDCD	
CCCOCC(=O)N1CCOc2cc(N(C)C)ccc21	173193325	NPJJTAZGGZAISM-UHFFFAOYSA-N	278.352	1.905	10	20	CDCD	
CCOCCCNC(=O)N(C)Cc1ccccc1O	125564785	DWHWGMJZMKAOSC-UHFFFAOYSA-N	266.341	1.960	10	20	CDCD	
COc1cccc(CN2CC[C@@H](N)C[C@H]2C)c1O	131529891	IPHRYQWKUFXVGB-ZYHUDNBSSA-N	250.342	1.712	10	20	CDCD	
CCOc1ccc(O)c(CN(C)C[C@@H](C)C(=O)NC)c1	93899573	KKMRJIFNSWQIMJ-LLVKDONJSA-N	280.368	1.605	10	20	CDCD	
CCN1C(=O)/C(=C\c2c(C(=O)O)cnn2C)SC1=S	606445301	DFNKSUQGEFIWFM-XBXARRHUSA-N	297.361	1.339	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CC(O)(C2CC2)C1	365249955	ZVIMIPQDNZFLCN-QHHAFSJGSA-N	275.304	1.094	10	20	CDCD	
CCN(CC)c1ccc(CN2C[C@@H](O)[C@H](O)C2)cc1F	278355236	IZTOYJAMFRUJGT-HUUCEWRRSA-N	282.359	1.209	10	20	CDCD	
COC(=O)[C@@H]1CCCN1C(=O)/C=C/c1ccc(O)c(O)c1	272388425	GMQASLOKNMUCMZ-ZRQQLDRUSA-N	291.303	1.275	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)CCNC)cc1F	285768812	LPBFRFPPMFPEFM-UHFFFAOYSA-N	281.375	1.898	10	20	CDCD	
C[C@H](NC(=O)c1cn(C)nn1)c1ccc(N(C)C)cc1	808419364	JOLTYQNEXXVYQL-JTQLQIEISA-N	273.340	1.372	10	20	CDCD	
CCN(C[C@H](C)OC)C(=O)/C=C/c1ccc(O)c(O)c1	292097992	DVSFTGZOMGGRKJ-IOCXFXADSA-N	279.336	1.994	10	20	CDCD	
C[C@H](CNC(=O)c1c(F)ccc(O)c1O)CN(C)C	295286124	IXLZRNBJUWXSHN-MRVPVSSYSA-N	270.304	1.164	10	20	CDCD	
CC(=O)C(=O)CSc1n[nH]c(-c2ccccc2F)n1	808011692	UYTIENHFJCHXKT-UHFFFAOYSA-N	279.296	1.861	10	20	CDCD	
C[C@@H]1C[C@@H]1CN1C(=O)CN(Cc2ccccc2O)C1=O	819165256	RKTICVTTYPMHCP-ZYHUDNBSSA-N	274.320	1.812	10	20	CDCD	
COC(=O)CCCONC(=O)c1cc(O)cs1	811561532	QMYHNCQNGQHHDJ-UHFFFAOYSA-N	259.283	1.068	10	20	CDCD	
CC[C@@H](CS(=O)(=O)NCc1ccccc1O)OC	817133638	HDWJAYIQOZGOAB-NSHDSACASA-N	273.354	1.237	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@H]2C[C@]23CCNC3)c1	828667867	VIADQBULASMWCR-WNMQOVRZSA-N	290.363	1.578	10	20	CDCD	
COC(=O)NC1CCN(Cc2c(O)cccc2OC)CC1	827934684	NXGLLSHMXSSVOY-UHFFFAOYSA-N	294.351	1.721	10	20	CDCD	
COC[C@@H](O)CNCc1cc(Cl)c(C)cc1O	825803628	CZVOFDZNVVYNFF-JTQLQIEISA-N	259.733	1.451	10	20	CDCD	
CN(C)c1ccc(OCC(=O)N=[S@@](C)(=O)N(C)C)cc1	905093170	ZJECXBQCGZOYMP-HXUWFJFHSA-N	299.396	1.232	10	20	CDCD	
CN(C)C(=O)[C@@H]1CCCN1C(=O)c1cc(O)cs1	735520921	SDIDGMRRRGYTFU-VIFPVBQESA-N	268.338	1.147	10	20	CDCD	
COCCCC(=O)NC[C@H](N)c1ccc(N(C)C)cc1	832274524	UUKBGMKHFNDXNY-AWEZNQCLSA-N	279.384	1.295	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CCCNC(=O)O)cc1	737377981	PKNWZGJJSMCPGC-UHFFFAOYSA-N	279.340	1.417	10	20	CDCD	
C[C@@H]1CN(CCN[C@H]2CCc3cccc(O)c32)CCO1	834567225	ZTCFWUZVSKIQEC-OCCSQVGLSA-N	276.380	1.690	10	20	CDCD	
O=C(O)CN(Cc1cc2c(cc1O)CCC2)C1CC1	738607524	JFUBXOGYTKHGSS-UHFFFAOYSA-N	261.321	1.930	10	20	CDCD	
CCc1ncncc1C(=O)NCc1cc(OC)ccc1O	743410794	PWVFUEPMTDPTKV-UHFFFAOYSA-N	287.319	1.683	10	20	CDCD	
CCN(C)C(=O)CN1CCCc2cc(OC)cc(OC)c21	839656166	IJSCCMGBGSZVRN-UHFFFAOYSA-N	292.379	1.935	10	20	CDCD	
CO[C@@](C)(C(=O)NCc1ccc(O)cc1O)C1CC1	910943544	DFJLFTNKOKPBFC-CQSZACIVSA-N	265.309	1.529	10	20	CDCD	
CC(C)OCCONC(=O)Nc1ccc(N)cc1	841300067	RWNFNIRNYNNWCH-UHFFFAOYSA-N	253.302	1.747	10	20	CDCD	
CCN1C[C@H](c2nc(Cc3ccc(N)cc3)no2)CC1=O	843158254	AOZBFQVPYNANBB-LLVKDONJSA-N	286.335	1.578	10	20	CDCD	
COc1ccc(N(C)CCN(C)CCC(=O)O)cc1	844401377	MUETXDHTBSNWJT-UHFFFAOYSA-N	266.341	1.538	10	20	CDCD	
C[C@@H]1CCCN(Cc2cc3c(cc2O)OCO3)[C@H]1CN	843052199	PCFGBJYNQUGFJY-PWSUYJOCSA-N	278.352	1.680	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NC(C)(C)CN)cc1	841651913	CFILZPVNYJNZNJ-UHFFFAOYSA-N	264.373	1.289	10	20	CDCD	
COCCNC(=O)C1(N[C@H](C)c2ccc(F)cc2O)CC1	840822673	NVWGIWIEJZEBSC-SNVBAGLBSA-N	296.342	1.477	10	20	CDCD	
COC(=O)c1cnc(SCC[C@H]2CCNC2=O)s1	848439569	RZMMBRPASZWICN-SSDOTTSWSA-N	286.378	1.548	10	20	CDCD	
COC[C@]1(CNCc2ccc(N(C)C)c(F)c2)CCCN1	841067577	NHFWGZYOLIPDHY-MRXNPFEDSA-N	295.402	1.750	10	20	CDCD	
COc1cc(O)c(CN[C@H]2CC23CCNCC3)cc1OC	841079306	LLVOTFZDTXBYFW-HNNXBMFYSA-N	292.379	1.641	10	20	CDCD	
CC[C@H](C)C[C@@H](CO)NC(=O)c1ccc(C)c(O)c1O	844030896	AAIWCIAPXPUAGF-ONGXEEELSA-N	281.352	1.933	10	20	CDCD	
C[C@@H]1CN(Cc2cc(Cl)cc(F)c2O)C[C@H]1N	843120311	FDPGCLYUYXABST-RDDDGLTNSA-N	258.724	1.964	10	20	CDCD	
COc1cccc(NC(=S)NNc2ncccn2)c1	912972989	COVWVJGTNTXSGJ-UHFFFAOYSA-N	275.337	1.799	10	20	CDCD	
Nc1ccc(-n2cc(CN3CCSCC3)nn2)cc1	849134740	NONSSWXEFZIPSY-UHFFFAOYSA-N	275.381	1.398	10	20	CDCD	
C[C@@H]1CCCCN(C(=O)C(=O)Nc2ccc(N)cc2)C1	841089743	NOZWPHPMWGPQFH-LLVKDONJSA-N	275.352	1.856	10	20	CDCD	
CNC(=O)[C@@H]1CCC[C@@H]1N[C@@H](C)c1cccc(OC)c1O	846158294	WKNHJPMYWTZJKU-UHTWSYAYSA-N	292.379	1.966	10	20	CDCD	
CO[C@@H](CC(C)C)C(=O)NCCc1ccc(O)c(O)c1	841402881	BTJPYGWNBAXKEP-AWEZNQCLSA-N	281.352	1.818	10	20	CDCD	
O=C(NCc1cc(Cl)ccc1O)N[C@@H]1COC(=O)C1	923758061	YPDAVMVSEQFBSG-VIFPVBQESA-N	284.699	1.160	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1COCO1	923859185	KFEGZXQDBWSYCT-CQSZACIVSA-N	293.367	1.267	10	20	CDCD	
C[C@H]1OCC[C@@H]1COC(=O)c1cccc(O)c1O	869476483	CSKRGELXDRCAMF-RKDXNWHRSA-N	252.266	1.680	10	20	CDCD	
O=C(CNC(=O)Nc1ccccc1)NCc1ccccc1O	769362347	IITJKHKIVWQCFN-UHFFFAOYSA-N	299.330	1.830	10	20	CDCD	
CN(C)c1ccc(CNC(=S)NCc2ccon2)cc1	764453370	PHYYPDLQAZKBBF-UHFFFAOYSA-N	290.392	1.905	10	20	CDCD	
C[C@@H](N[C@@H]1COCC[C@H]1O)c1ccc(Cl)cc1O	866498178	VTOWTSSFNYOVRR-GGZOMVNGSA-N	271.744	1.846	10	20	CDCD	
COc1cccc(CNC(=O)CCCCO)c1O	866764335	SJOSFRGUTBBMAI-UHFFFAOYSA-N	253.298	1.180	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CCO[C@@H](C(=O)O)C2)c1O	769756892	ZXXSICHJZKDNOY-GFCCVEGCSA-N	297.282	1.019	10	20	CDCD	
Oc1ccc(F)cc1CNCC1(N2CCOCC2)CC1	775156307	PWKVCNGVXLEZIO-UHFFFAOYSA-N	280.343	1.486	10	20	CDCD	
Nc1ccc(CNC(=O)N2CCOC[C@H]2C2CC2)cc1	1120677098	JEABORHLSZMUFF-AWEZNQCLSA-N	275.352	1.589	10	20	CDCD	
CCN(CCC(=O)NC)Cc1cc(C)ccc1O	897710526	VQNNNSDSHKQHMF-UHFFFAOYSA-N	250.342	1.659	10	20	CDCD	
COC(=O)[C@@H]1CCN(Cc2cc(OC)ccc2O)[C@H]1C	787421159	OBLBCNGZOHIZPP-GXFFZTMASA-N	279.336	1.784	10	20	CDCD	
COc1cc(C)cc(CN[C@H]2C(=O)NCC[C@H]2C)c1O	894664151	VURSFGPMYPNTAM-ZWNOBZJWSA-N	278.352	1.323	10	20	CDCD	
COc1cc(C)cc(CN2CCn3cnnc3[C@H]2C)c1O	894549650	AHKATQOQQZIXDB-LLVKDONJSA-N	288.351	1.878	10	20	CDCD	
O=C(OC[C@H]1CCCS(=O)(=O)C1)c1cc(O)cs1	791885716	OKDPNTXMTSDQSD-MRVPVSSYSA-N	290.362	1.435	10	20	CDCD	
C[S@@](=O)C1(CNC(=O)/C=C/c2ccc(O)c(O)c2)CC1	799775662	HYRWRSWAWNUAEE-HQMUEHRGSA-N	295.360	1.138	10	20	CDCD	
CC(C)CONC(=O)C(=O)NCc1ccc(N(C)C)cc1	1321421148	YZYUTMUCEBCTPU-UHFFFAOYSA-N	293.367	1.073	10	20	CDCD	
C[C@H]1CN(C(=O)c2cccc(O)c2O)[C@@H](C)CN1C	790912155	YVYHTNQCEAVULC-UWVGGRQHSA-N	264.325	1.262	10	20	CDCD	
CN(C)c1cc(F)c(CNCCC(=O)O)cc1F	1330273267	ASFMMAGWGSLNOB-UHFFFAOYSA-N	258.268	1.595	10	20	CDCD	
C[C@H](c1ccc(N(C)C)cc1)N1C(=O)NC2(CC2)C1=O	1343706172	OZRLBNRGKFKICO-SNVBAGLBSA-N	273.336	1.898	10	20	CDCD	
O=C(O)CCCCC(=O)NCc1ccc(O)cc1O	1601982280	SXWZIXGTTQRACA-UHFFFAOYSA-N	267.281	1.359	10	20	CDCD	
CC(=O)C(=O)COc1cc(Cl)ccc1-c1nn[nH]n1	1609061454	FQHBIGFPEBBUAE-UHFFFAOYSA-N	280.671	1.057	10	20	CDCD	
O=C(O)CCN(Cc1cc(F)ccc1O)C[C@@H]1CCCO1	1602006509	FEKFKICEAJUQHQ-ZDUSSCGKSA-N	297.326	1.987	10	20	CDCD	
Cc1cc(NC(=O)Cc2ccc(O)c(O)c2)c(C(=O)O)[nH]1	1607679590	VAQCOSNKPIIQLS-UHFFFAOYSA-N	290.275	1.614	10	20	CDCD	
CCC[C@H](NCc1ccc(N2CC[C@@H](O)C2)cc1)C(=O)O	1776760167	NCMLLXZEZBNVHH-CABCVRRESA-N	292.379	1.601	10	20	CDCD	
CCc1cccc(CN2CCS(=O)(=O)[C@H](C)[C@@H]2C)c1O	848887706	CEGBNHVRDSOBBU-NWDGAFQWSA-N	297.420	1.962	10	20	CDCD	
CC(C)[C@@H]1NCC[C@@H]1C(=O)NCc1ccccc1O	289602210	BRUSJJIBZSMQEP-JSGCOSHPSA-N	262.353	1.643	10	20	CDCD	
CCC(CC)[C@H](O)CNC(=O)c1cccc(O)c1O	187087226	JDJFRUSQSWESNH-GFCCVEGCSA-N	267.325	1.625	10	20	CDCD	
COc1ccc(O)c(CNC(C)(C)CN(C)C)c1	308615797	YGHUCEFRPPYDPN-UHFFFAOYSA-N	252.358	1.831	10	20	CDCD	
Oc1cc2c(cc1CNCC13CC(CO1)C3)OCO2	527790723	UFYZXLASFJPPAD-UHFFFAOYSA-N	263.293	1.390	10	20	CDCD	
CC(C)N(C)CCNC(=O)Nc1ccc(N)cc1	54108838	NCQAUECFDLBABJ-UHFFFAOYSA-N	250.346	1.731	10	20	CDCD	
CSc1ccccc1C(=O)N1CCS(=O)(=O)C[C@@H]1C	172572781	VOWPBMAFYJNPTE-JTQLQIEISA-N	299.417	1.668	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@H](CO)C1	304271545	HNJHWBYDAITOEF-ZDUSSCGKSA-N	291.395	1.585	10	20	CDCD	
CN1CCN(Cc2ccc(N3CCCCC3)cc2)CC1=O	127317708	ROVAZJRBHCYOEC-UHFFFAOYSA-N	287.407	1.951	10	20	CDCD	
COC(=O)COc1ccc(N(C)Cc2ccon2)cc1	183793708	YGSNYCZFQOPSPQ-UHFFFAOYSA-N	276.292	1.863	10	20	CDCD	
Cc1[nH]ncc1S(=O)(=O)Nc1ccc(O)cc1	37730620	PFNCDXMYAJDXGZ-UHFFFAOYSA-N	253.283	1.225	10	20	CDCD	
C[C@H](C(=O)NCc1ccc(O)c(O)c1)N1CCSCC1	182531165	YCSSXLSSRFIEDH-SNVBAGLBSA-N	296.392	1.151	10	20	CDCD	
CC(C)[C@@H](CNCc1ccccc1O)N1CCN(C)CC1	40770056	PPSRMSPKCJAMRD-MRXNPFEDSA-N	291.439	1.754	10	20	CDCD	
C[C@@H](N[C@H]1CCCCNC1=O)c1ccc(F)c(F)c1O	191198305	JMBXHSXEBFYKIB-KCJUWKMLSA-N	284.306	1.990	10	20	CDCD	
CCOc1cccc(CN2CCNC(=O)[C@@H]2C(C)C)c1O	93054909	HGVWEHDGHGBRIN-AWEZNQCLSA-N	292.379	1.747	10	20	CDCD	
C[C@H]1OCC[C@H]1C(=O)N1CCOc2cc(N(C)C)ccc21	92440244	FKIPFUPRWRQRTA-DGCLKSJQSA-N	290.363	1.903	10	20	CDCD	
C[C@H](CO)NC(=O)NCc1ccc(N2CC=CC2)cc1	265909941	DULHWLFWVONLQR-GFCCVEGCSA-N	275.352	1.243	10	20	CDCD	
CN(Cc1ccccc1O)Cc1nnc2n1CCCC2	264674510	AFCHXDDIRCLKGK-UHFFFAOYSA-N	272.352	1.952	10	20	CDCD	
C[C@](O)(CC(=O)NCCc1ccc(O)c(O)c1)C1CC1	270546511	MUEYVZJMIRTIOF-HNNXBMFYSA-N	279.336	1.308	10	20	CDCD	
C[C@H]1CC(=O)CC[C@@H]1C(=O)NCc1ccc(O)c(O)c1	272387118	WZPIYXVZIOHISR-CABZTGNLSA-N	277.320	1.719	10	20	CDCD	
CO[C@@H]1CCCN(C(=O)c2c(F)ccc(O)c2O)C1	276652431	ZFCQGBWZFITZDN-MRVPVSSYSA-N	269.272	1.488	10	20	CDCD	
CCOC1CC(O)(CNCc2cc3c(cc2O)OCO3)C1	277724971	OBHBMCCCDDRLET-UHFFFAOYSA-N	295.335	1.141	10	20	CDCD	
O=C(NCCCOC[C@H]1CCCO1)c1cccc(O)c1O	274893087	MMSHMLWUAUKWOZ-LLVKDONJSA-N	295.335	1.413	10	20	CDCD	
COCCCONC(=O)/C=C/c1ccc(O)c(O)c1	288204210	QKHFMSVKKLDHTJ-GQCTYLIASA-N	267.281	1.195	10	20	CDCD	
CO[C@H](C)CS(=O)(=O)Nc1ccc(O)cc1C	282236078	PNNNGDCNRSFDRS-SECBINFHSA-N	259.327	1.477	10	20	CDCD	
CCOCc1cc(CN[C@H]2C[C@@H](O)C2)ccc1OC	294837644	MEIRFDGNYCJLNB-OKILXGFUSA-N	265.353	1.845	10	20	CDCD	
C[C@H](OC(=O)c1cc(O)cs1)c1nncn1C	805449818	HTTSMBYBRKPBHL-LURJTMIESA-N	253.283	1.500	10	20	CDCD	
COc1ccc(CNC(=O)CCC(C)=O)c(O)c1	800560161	NKRZXRNYVWFKOK-UHFFFAOYSA-N	251.282	1.386	10	20	CDCD	
NC(=O)CC1CN(Cc2c(O)cccc2Cl)C1	297352177	GQMDHONTQNWWFE-UHFFFAOYSA-N	254.717	1.353	10	20	CDCD	
C[C@@H](C[C@@H]1COCCN1)NCCc1ccc(N)cc1	817958249	UVWWUYAWMSYKMN-SWLSCSKDSA-N	263.385	1.168	10	20	CDCD	
C[C@H](NC[C@@H](N)c1ccc(N(C)C)cc1)c1ncc[nH]1	817941848	LCKYBLWHGQPJNW-SMDDNHRTSA-N	273.384	1.826	10	20	CDCD	
COC[C@@H](C)[C@@H](C)C(=O)NCc1ccccc1O	812489738	BUNQZSZMSUPMCM-GHMZBOCLSA-N	251.326	1.927	10	20	CDCD	
CC[C@@H]1C(=O)NCCN1Cc1ccc(N(C)C)c(C)c1	815051823	ZTSSIJUXJDUSMM-CQSZACIVSA-N	275.396	1.771	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)c1cnn2c1CCC2	827084878	DXEVIWAMZMKVQC-UHFFFAOYSA-N	287.319	1.213	10	20	CDCD	
c1csc(Sc2ccc(-c3nn[nH]n3)nn2)n1	826526707	JXAAOZLVESFDSK-UHFFFAOYSA-N	263.311	1.264	10	20	CDCD	
O=C(NCc1ccc(N2CCSCC2)cc1)[C@H]1CCN1	827320791	OSNLHHLKGWKVBA-CQSZACIVSA-N	291.420	1.218	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCN(c2ccccn2)CC1	731864301	UAHZRCAXZIWBFR-UHFFFAOYSA-N	289.360	1.811	10	20	CDCD	
COc1ccc(CNC(=O)NC[C@H](OC)C2CC2)c(O)c1	836492117	YNPSNLKEGJPVCT-AWEZNQCLSA-N	294.351	1.625	10	20	CDCD	
CCCN(C(=O)c1cccc(O)c1O)[C@H]1CCN(C)C1	843990981	ZTIGHPUIVUQESI-NSHDSACASA-N	278.352	1.654	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)[C@@H]1CCc2ncncc2C1	843830612	JFZKAPGUURKMML-LLVKDONJSA-N	299.330	1.309	10	20	CDCD	
CC[C@@H](N[C@@H]1COC[C@@H]1OC)c1ccc(F)cc1O	840826584	OSSCASZWZHJRFG-BZPMIXESSA-N	269.316	1.986	10	20	CDCD	
C[C@](O)(CNC(=O)Cc1ccc(N)cc1)c1ccco1	846689970	YWAHZSBFZNGVMT-HNNXBMFYSA-N	274.320	1.428	10	20	CDCD	
CCN1C[C@H](CN[C@@H](C)c2cccc(OC)c2O)CC1=O	846208333	IGPFCDDAPBODAV-RYUDHWBXSA-N	292.379	1.920	10	20	CDCD	
COC(=O)NCC(=O)NCc1cc(Cl)ccc1O	846473088	OMNMEWXBFTXSTB-UHFFFAOYSA-N	272.688	1.018	10	20	CDCD	
COC(=O)[C@@H]1CCCN1C(=O)c1cc(O)cs1	848371051	MZXQFECIQHQDIU-QMMMGPOBSA-N	255.295	1.231	10	20	CDCD	
Nc1ccc(OCc2cn([C@@H]3CCOC3)nn2)cc1	864635296	SJSDGUNCTIFACM-GFCCVEGCSA-N	260.297	1.401	10	20	CDCD	
CC[C@@H](NC(=O)c1ccc(C)c(O)c1O)[C@H](O)C(C)C	840525299	MTWVDUMODHIPQG-VXGBXAGGSA-N	281.352	1.932	10	20	CDCD	
CCOC(=O)CN(C)c1ccc(OC)c(OC)c1	64517329	YHBFEQJMCWDWJN-UHFFFAOYSA-N	253.298	1.703	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)NCCO[C@H]1CCOC1	927513558	ZQOIWHDPYBBBRO-ZDUSSCGKSA-N	294.351	1.339	10	20	CDCD	
C[C@H](NCc1nnnn1CC1CC1)c1ccc(F)cc1O	769985007	FWHOLXZKZDQJDT-VIFPVBQESA-N	291.330	1.779	10	20	CDCD	
Cc1nocc1S(=O)(=O)NCc1ccc(N(C)C)cc1	866424210	GOMJSRLMBJEIID-UHFFFAOYSA-N	295.364	1.528	10	20	CDCD	
C[C@H](C[C@@H]1CCCC(=O)N1)NCc1ccccc1O	876996137	PSABIGXHDPULCW-YPMHNXCESA-N	262.353	1.929	10	20	CDCD	
Cc1nc2n(n1)C[C@H](NCc1c(C)cccc1O)CC2	877003027	JHOYMJVYQYSOCI-GFCCVEGCSA-N	272.352	1.705	10	20	CDCD	
CC(=O)[C@@H](C)OC(=O)/C=C\c1ccc(O)c(O)c1	772770866	VNXCAFXRBCZPRW-XTULLQBASA-N	250.250	1.632	10	20	CDCD	
Cc1cc(O)c(CN[C@@H]2COC[C@@H]2O)cc1Cl	877666806	BVBXVPBHUMCWGV-PWSUYJOCSA-N	257.717	1.203	10	20	CDCD	
Cc1cc(OCC(=O)NCc2ccc(O)c(O)c2)no1	778919013	YNOYSSAODZSARP-UHFFFAOYSA-N	278.264	1.089	10	20	CDCD	
O=C1CCCN1[C@H]1CCCN(Cc2ccccc2O)C1	770510503	MVYDPYRXVMJJBE-AWEZNQCLSA-N	274.364	1.979	10	20	CDCD	
Nc1ccc(CN[C@@H]2Cc3ccccc3[C@H]2N)cc1	1120372014	XLZAGVQQZQYWHV-HZPDHXFCSA-N	253.349	1.983	10	20	CDCD	
CC(C)CN1CCC[C@H]1C(=O)NCc1cccc(O)c1O	1123888754	KQSFWTKQQORVKU-ZDUSSCGKSA-N	292.379	1.834	10	20	CDCD	
COCC[C@@]1(NCc2cc(F)ccc2O)CCOC1	775203518	LJNCNVDGAGNLMP-CQSZACIVSA-N	269.316	1.817	10	20	CDCD	
CCn1[nH]c(C)nc1=NC(=O)N(C)Cc1ccccc1O	888524983	IBZQEMNHEHQVKR-UHFFFAOYSA-N	289.339	1.398	10	20	CDCD	
COCCNC(=O)C1(N[C@H](C)c2c(O)cccc2F)CC1	886625303	NDMMMGQBEZRNEN-SNVBAGLBSA-N	296.342	1.477	10	20	CDCD	
CSC[C@H](C)C(=O)OCC(=O)c1ccc(O)c(O)c1	783582321	JSUZIPPUYIVHHV-QMMMGPOBSA-N	284.333	1.823	10	20	CDCD	
COCCONC(=O)N[C@H](C)c1ccc(N(C)C)cc1	789212521	JXBBJRWTZAEWFN-LLVKDONJSA-N	281.356	1.691	10	20	CDCD	
CN1CCN(c2ccc(CNC(=O)c3cc[nH]n3)cc2)CC1	881850108	NUYKBRJIRNRETB-UHFFFAOYSA-N	299.378	1.092	10	20	CDCD	
Cc1cc(C(=O)OCC(=O)c2ccc(O)c(O)c2)ccn1	789028328	PRHHEAPQVMPHCG-UHFFFAOYSA-N	287.271	1.841	10	20	CDCD	
CN(Cc1cc(F)cc(F)c1O)CC(C)(CO)CO	894033163	BJWDLZUVXCNYIE-UHFFFAOYSA-N	275.295	1.093	10	20	CDCD	
C[C@H]1C(=O)N(C)CCN1Cc1cc(F)cc(F)c1O	894495412	CCSJVDPRWMCIQJ-QMMMGPOBSA-N	270.279	1.333	10	20	CDCD	
COc1cc(C)cc(CN[C@H](C)CN2CCCC2=O)c1O	894197547	VQFBFYCIQYZOQI-GFCCVEGCSA-N	292.379	1.810	10	20	CDCD	
COC[C@@H](C)NC(=O)NCc1ccc(OC)cc1O	792779917	LPMAIMHETROFCT-SECBINFHSA-N	268.313	1.235	10	20	CDCD	
COc1ccc(CNC(=O)NOCC(F)F)c(O)c1	793169058	QWRUFBDOXNXPIG-UHFFFAOYSA-N	276.239	1.397	10	20	CDCD	
CN1CC[C@@](O)(CNCc2cc(Cl)ccc2O)C1	702603885	ONAFPZNDDTWMAW-CYBMUJFWSA-N	270.760	1.202	10	20	CDCD	
Cc1nc([C@H](C)NC(=O)c2cc(O)cs2)no1	1327764825	BIVQWPFSXNVJDZ-YFKPBYRVSA-N	253.283	1.636	10	20	CDCD	
Nc1ccc(CCNC(=O)CCn2ccnc2)cc1	63129853	WKVPJYZMKNJWGE-UHFFFAOYSA-N	258.325	1.214	10	20	CDCD	
C[C@@H](NC[C@@H]1CN(C)CCN1C)c1ccc(F)cc1O	68803337	DWKMDSKKRSJBCA-DGCLKSJQSA-N	281.375	1.428	10	20	CDCD	
CCCN1CCC[C@H]1CNC(=O)NCc1ccc(N)cc1	1335569602	BAZDLOUQGNXTDM-HNNXBMFYSA-N	290.411	1.942	10	20	CDCD	
CO[C@H]1CCN(C(=O)NCc2ccc(N)cc2)C[C@H]1C	1335726739	WUOJEPTZMPQMHC-RISCZKNCSA-N	277.368	1.835	10	20	CDCD	
CCO[C@H]1COCC[C@@H]1NC(=O)NCc1ccc(N)cc1	1335554913	BWLIYFBCCUXKDE-KBPBESRZSA-N	293.367	1.262	10	20	CDCD	
C[C@@H](CN1CCCCC1)NC(=O)NCc1ccc(N)cc1	1335338360	PVAPBJALFKFTFR-ZDUSSCGKSA-N	290.411	1.942	10	20	CDCD	
COC[C@H](NC(=O)NCc1ccc(N)cc1)[C@@H]1CCCO1	1346429700	QYOULVJLVZDNLH-KBPBESRZSA-N	293.367	1.262	10	20	CDCD	
CN(C)[C@@H](C(=O)Nc1ccc(N)cc1)c1cncn1C	1356608621	QRPKQEWAKQRUIP-CYBMUJFWSA-N	273.340	1.244	10	20	CDCD	
CSC[C@H](CCO)NC(=O)NCCc1ccc(N)cc1	1579369814	CDFFOCFNZSHPCE-ZDUSSCGKSA-N	297.424	1.225	10	20	CDCD	
O=C(N[C@]12CCC[C@H]1CNC2)c1cc(O)cs1	1580756775	KZVRKQGXWFZKPM-UFBFGSQYSA-N	252.339	1.326	10	20	CDCD	
Nc1ccc(CC(=O)NCC2(C(=O)O)CCCCC2)cc1	165697055	ZLSDNLWKRIRPLN-UHFFFAOYSA-N	290.363	1.963	10	20	CDCD	
CCOc1cccc(CN[C@H]2C[C@H](CO)C2)c1O	923007791	OFKCUWOCPSXQHI-UMSPYCQHSA-N	251.326	1.651	10	20	CDCD	
COCC[C@](C)(O)CNCc1ccc2c(c1)CCCO2	921749489	KTCVHUQRJQPZAA-INIZCTEOSA-N	279.380	1.889	10	20	CDCD	
C[C@@H]1OCC[C@]1(C)NC(=O)c1cccc(O)c1O	229417760	OEFQDXOEUTVGBP-SDBXPKJASA-N	251.282	1.395	10	20	CDCD	
CN(C)C[C@@](C)(O)CNCc1ccc2c(c1)CCO2	131410750	ZELQUEKTQUUZHL-HNNXBMFYSA-N	264.369	1.024	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCC[C@](F)(CO)C1	286610976	BJLQHEYLBJKQMD-CYBMUJFWSA-N	269.272	1.034	10	20	CDCD	
CCNC(=O)C(C)(C)NCc1cc(F)ccc1O	312888318	SBCLHQCYMBKZPX-UHFFFAOYSA-N	254.305	1.536	10	20	CDCD	
CCOC[C@H]1CN(Cc2cc(C)ccc2O)CCO1	529664851	FMMDIPSKNOGWGT-CQSZACIVSA-N	265.353	1.938	10	20	CDCD	
CCN1C[C@H](NC(=O)Nc2ccc(N)cc2)CC1=O	391723524	KQOQDKXGSHPYED-LLVKDONJSA-N	262.313	1.011	10	20	CDCD	
COCC[C@@](C)(O)CNCc1cc(Cl)ccc1O	172072186	NKQJFWGRAWCSBH-CYBMUJFWSA-N	273.760	1.923	10	20	CDCD	
COc1cccc(CNC(=O)NCc2cc[nH]n2)c1O	174057669	ZBOFEFPMEPBPPG-UHFFFAOYSA-N	276.296	1.123	10	20	CDCD	
CC1(C)COCCN1C(=O)/C=C/c1ccc(O)c(O)c1	180703418	XHXHENVFHMBFMS-GQCTYLIASA-N	277.320	1.748	10	20	CDCD	
COC(=O)[C@H](C)N(C)Cc1ccc(N2CCOCC2)cc1	123668698	GOYYCIZYDZTAKD-ZDUSSCGKSA-N	292.379	1.517	10	20	CDCD	
Nc1ccc(CC(=O)N2CC(=O)N[C@H]3CCCC[C@@H]32)cc1	237884814	JDSGOWRMUCPZTN-KBPBESRZSA-N	287.363	1.081	10	20	CDCD	
CCOc1ccc(O)c(CN2C[C@H](C)O[C@@H](CO)C2)c1	249491566	VLVLWRHWAOPQMC-SMDDNHRTSA-N	281.352	1.373	10	20	CDCD	
CC[C@H](C)[C@H](O)CNC(=O)NCc1ccc(N(C)C)cc1	264864295	PRWUZIPYZVSQGW-SWLSCSKDSA-N	293.411	1.959	10	20	CDCD	
CC[C@H](C)NC(=O)[C@H](C)NC(=O)c1c(F)ccc(O)c1O	276619235	QRTAUUFUUDMADK-YUMQZZPRSA-N	298.314	1.270	10	20	CDCD	
CCNC(=O)[C@@H](C)N[C@H](C)c1cc(C(=O)OC)ccc1O	273377002	HKFOSTNVAMZSPD-NXEZZACHSA-N	294.351	1.354	10	20	CDCD	
COC[C@@H](CCO)N[C@@H](C)c1cc(C(=O)OC)ccc1O	273371105	CLZIQNNOSNZIRP-CMPLNLGQSA-N	297.351	1.227	10	20	CDCD	
Cc1ccc(C(=O)NC[C@H]2CCOC[C@@H]2C)c(O)c1O	287083273	YIUAGKQGCUNCOC-WDEREUQCSA-N	279.336	1.809	10	20	CDCD	
COc1ccc(O)c(CN2CC(=O)N(C3CC3)C2)c1	280450545	LFVPJQNFYANAPL-UHFFFAOYSA-N	262.309	1.165	10	20	CDCD	
COc1ccc(O)c(CNC(=O)N[C@@H]2CSC[C@@H]2C)c1	806810158	HUVVLEXBLLFMBD-JOYOIKCWSA-N	296.392	1.952	10	20	CDCD	
CC(C)ONC(=O)NCc1ccc(N2CCOCC2)cc1	296404581	QUQUMAREGAWJBV-UHFFFAOYSA-N	293.367	1.662	10	20	CDCD	
O=C(O)[C@H]1CCN(Cc2cc3c(cc2O)OCO3)C1	819286574	BKPRKNAMMOVCNA-QMMMGPOBSA-N	265.265	1.027	10	20	CDCD	
Cc1cc(CN2CCN(C)C(=O)[C@H]2C)ccc1N(C)C	815095580	DRXDIOJQIXDDPD-CYBMUJFWSA-N	275.396	1.724	10	20	CDCD	
CO[C@H](C)CCC(=O)NCc1ccc(O)cc1O	824250239	JSXOVVSUSWUEBK-SECBINFHSA-N	253.298	1.529	10	20	CDCD	
Cc1cc(O)c(CNC[C@@H](O)CN2CCCC2)cc1Cl	825131375	NBUAQEJPWCBZEH-CYBMUJFWSA-N	298.814	1.900	10	20	CDCD	
CO[C@@H](CN)CC(=O)NCc1ccc(N(C)C)cc1C	829764789	XNMDEDHPJXAVIM-CQSZACIVSA-N	279.384	1.041	10	20	CDCD	
O=C(O)c1ccc2c(c1)CCN2C(=O)/C=C/c1cnccn1	737391931	PKRQXHUPFDTRLI-DUXPYHPUSA-N	295.298	1.777	10	20	CDCD	
COc1ccc(CNC(=O)[C@H](C)c2cnccn2)c(O)c1	907925076	CDNJODQHIVURTB-SNVBAGLBSA-N	287.319	1.611	10	20	CDCD	
CN(C)c1ccc(CN2CC[C@](F)(C(=O)O)C2)cc1	901518315	XEVQXPAVGRMPBY-CQSZACIVSA-N	266.316	1.751	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C1(C(N)=O)CC1	732260833	ALMSEOFLWQHKLN-UHFFFAOYSA-N	289.379	1.367	10	20	CDCD	
COC(=O)c1cc(O)c(F)cc1NS(=O)(=O)C1CC1	830161750	VSZUZRPEMLZVCH-UHFFFAOYSA-N	289.284	1.222	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)[C@@H]1CCn2ccnc2C1	910944124	KVVCRQLNNVNQRK-SNVBAGLBSA-N	287.319	1.173	10	20	CDCD	
COC(=O)[C@@H]1CNCCCN1Cc1cc(C)ccc1O	843123695	NPDOLTNGKHDPDD-ZDUSSCGKSA-N	278.352	1.038	10	20	CDCD	
CCn1cc(CC(=O)NCc2ccc(O)cc2O)cn1	910947314	CVYVEOOIQJQECX-UHFFFAOYSA-N	275.308	1.173	10	20	CDCD	
COCCNC(=N)NCc1cc(Cl)ccc1O	849048282	GGKIIWQCMSWJDV-UHFFFAOYSA-N	257.721	1.306	10	20	CDCD	
CC[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(N)cc2)C1	841017324	ZJJLIFILGSFCTM-LLVKDONJSA-N	275.352	1.856	10	20	CDCD	
O=C(NCc1ccc(N2CCCC2)cc1)O[C@H]1CNOC1	914179900	XNAVHZLJOBJSHH-AWEZNQCLSA-N	291.351	1.416	10	20	CDCD	
COc1cccc(CNC(=O)Nc2cc(C)n(C)n2)c1O	748644772	SPSDMGMXXKKAAR-UHFFFAOYSA-N	290.323	1.764	10	20	CDCD	
CN(C)c1ccc([C@H](N)CNCc2cncs2)cc1	841043578	PKRZCMCVZBDSRW-CQSZACIVSA-N	276.409	1.999	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N1CCO[C@@H](CF)C1	840482631	CGRWHBXFHNQFSM-MORRKMRCSA-N	281.283	1.308	10	20	CDCD	
CCN1C[C@@H](CNC(=O)c2cc(O)cs2)CC1=O	846659543	SPSOHVXCFUXTRE-MRVPVSSYSA-N	268.338	1.052	10	20	CDCD	
CN(C)c1ccc(CN[C@@H]2[C@@H]3C[C@@H]4[C@@H]2NC[C@@H]4C3)cc1F	925530156	OKEVKSHHHBKYCU-NTLKJNNPSA-N	289.398	1.978	10	20	CDCD	
C[C@@H](NC(=O)c1ncnn1C)c1ccc(N(C)C)cc1	853805573	XKTHWOZJOGDWMB-SNVBAGLBSA-N	273.340	1.372	10	20	CDCD	
CN(C)c1cc(F)c(CNCC(C)(C)O)cc1F	858133733	WLUYKOFYANDJQU-UHFFFAOYSA-N	258.312	1.891	10	20	CDCD	
C[C@@H](NCCN1CC[C@@H](O)C1)c1ccc(F)cc1O	858548466	MHPZTFQPPDFMJN-ZYHUDNBSSA-N	268.332	1.249	10	20	CDCD	
C[C@H](NC(=O)c1cc(O)cs1)[C@@H](O)C(F)(F)F	854921084	IHZSWMAJKOZUBI-MHTLYPKNSA-N	269.244	1.495	10	20	CDCD	
CCONC(=O)NCc1ccc(N2CCC(O)CC2)cc1	851920828	SPYYPHZYJYXIDN-UHFFFAOYSA-N	293.367	1.398	10	20	CDCD	
CCOc1ccc(CN(C)CCS(C)(=O)=O)c(O)c1	768368077	WMCCDBGKOYIEKW-UHFFFAOYSA-N	287.381	1.267	10	20	CDCD	
CCOc1ccc(CN2CCN(CC)CC2)c(O)c1	768139612	TUPXZZJCKUXIAL-UHFFFAOYSA-N	264.369	1.928	10	20	CDCD	
Cc1cc(C(=O)N(C)C[C@@H](C)N)c(C)n1-c1ccccn1	877103162	KGGWOHOIGXBUIA-LLVKDONJSA-N	286.379	1.908	10	20	CDCD	
CN(C(=O)c1conc1C(C)(C)N)c1ccc(N)cc1	877074480	LMMRNMBPRQLLHY-UHFFFAOYSA-N	274.324	1.727	10	20	CDCD	
O=C(NCc1cccc(Br)c1O)c1cnn[nH]1	765765111	NJPGZPDHRDUQJU-UHFFFAOYSA-N	297.112	1.203	10	20	CDCD	
C[C@H](C(=O)N(C)c1ccc(N)cc1)c1cnn(C)c1	877077483	KBWVJNYWDXJXBJ-JTQLQIEISA-N	258.325	1.769	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1[C@H]2CCCO[C@H]21	773751787	WQICMWIOEOPYLY-NZQZLILVSA-N	291.347	1.570	10	20	CDCD	
Cc1ccc(CN2CCN([C@@H]3CCC[C@@H]3O)CC2)c(O)c1	876686938	CDAGDVGROJKUER-CVEARBPZSA-N	290.407	1.732	10	20	CDCD	
CCOCCONC(=O)NCc1ccc(N(C)C)cc1C	773520771	QHRNJHYYKJMLNE-UHFFFAOYSA-N	295.383	1.828	10	20	CDCD	
Cc1cccc(O)c1CNCCCN1CCCS1(=O)=O	877022257	RPNUIIVSDLEIBK-UHFFFAOYSA-N	298.408	1.216	10	20	CDCD	
CN1CCCc2cc(CNC(=O)C3(C(=O)O)CC3)ccc21	777852964	JPJBYSGSCSCSQN-UHFFFAOYSA-N	288.347	1.550	10	20	CDCD	
CN(C(=O)[C@@H]1CCc2ncncc2C1)c1ccc(N)cc1	877075819	IOGQNCVIMWXLCU-LLVKDONJSA-N	282.347	1.827	10	20	CDCD	
Cc1ccc(CNC[C@H](C)CN2CCN(C)CC2)c(O)c1	877015887	FFYTYADOOBBATN-HNNXBMFYSA-N	291.439	1.674	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)CNCC(C)C	1118287251	SHNGLFMSWJPIIS-UHFFFAOYSA-N	277.412	1.923	10	20	CDCD	
Cc1ccc(O)c(CN2CCC(CO)(CO)CC2)c1	877797461	JPEFFIAMNHIHSY-UHFFFAOYSA-N	265.353	1.267	10	20	CDCD	
Cn1cc(CNC(=O)/C=C/c2ccc(O)c(O)c2)cn1	779479980	PUGIMNLZDSVLNH-HWKANZROSA-N	273.292	1.161	10	20	CDCD	
C[C@@H](NC(=O)c1cc[n+]([O-])cc1)c1ccc(N(C)C)cc1	773000246	OCSIGXMTOJBNDA-GFCCVEGCSA-N	285.347	1.877	10	20	CDCD	
C[C@@H](NC(=O)[C@@H]1C[C@@]12CCNC2)c1ccccc1O	870988078	FWWTUPFGTURDHP-IFUGULHKSA-N	260.337	1.569	10	20	CDCD	
CCN(C)c1ccc(CN2CCN3C(=O)CC[C@H]3C2)cc1	773810874	CMGMNPVAYIROPP-INIZCTEOSA-N	287.407	1.949	10	20	CDCD	
O=[N+]([O-])c1cc(Cl)cc(CN2C[C@@H]3C[C@@]3(CO)C2)c1O	783734310	LHKIIAAMRMEAAH-ZANVPECISA-N	298.726	1.768	10	20	CDCD	
Cc1cnc2c(c1)N(C(=O)c1c(C)c[nH]c1CC(N)=O)CC2	888144733	RRYXXGFRBJLYMC-UHFFFAOYSA-N	298.346	1.257	10	20	CDCD	
COC(=O)[C@@H](CC(F)F)NCc1ccccc1O	789583351	WRVOJLZVXNQLTH-SECBINFHSA-N	259.252	1.679	10	20	CDCD	
CCN1C[C@H](C)N(C(=O)c2cccc(O)c2O)C[C@@H]1C	790910802	BQLAHBMHUYSQHY-QWRGUYRKSA-N	278.352	1.653	10	20	CDCD	
CC[C@H](C)[C@@H](OC)C(=O)OCC(=O)c1ccc(O)c(O)c1	795999627	ZTXOTDZPSSWHAS-LKFCYVNXSA-N	296.319	1.885	10	20	CDCD	
COc1ccc(CNC(=O)NCc2c[nH]nc2C)c(O)c1	792856288	FIGSZZWVDRKHBJ-UHFFFAOYSA-N	290.323	1.432	10	20	CDCD	
COc1cccc(O)c1CNCCC1(O)CCC1	790638290	YGFVDRQWHJLCIA-UHFFFAOYSA-N	251.326	1.796	10	20	CDCD	
Oc1c(F)cc(F)cc1CN1CCN2CCOC[C@H]2C1	894456492	RMFZYJGRYQQWME-GFCCVEGCSA-N	284.306	1.187	10	20	CDCD	
CNC(=O)CC1CCN(Cc2ccc(N)cc2)CC1	1356083174	LWJOBOMFYLKOHH-UHFFFAOYSA-N	261.369	1.617	10	20	CDCD	
Nc1ccc(CC(=O)N2CC[C@]3(CCNC3)C2)cc1	82698425	BKYUXXNNYGXWCD-HNNXBMFYSA-N	259.353	1.023	10	20	CDCD	
C[C@H](NC[C@@]1(O)CCO[C@H]1C)c1ccc(N(C)C)cc1	278669423	FTWBTJMUUANBBN-XEZPLFJOSA-N	278.396	1.943	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@H]2CC[C@@H](N)C2)cc1	91542441	MOSPQYNYDRDPSU-QWHCGFSZSA-N	261.369	1.496	10	20	CDCD	
O=C(NCc1ccc(N2CCOCC2)cc1)OCCF	1194974163	SVXJPPVZJMLDCB-UHFFFAOYSA-N	282.315	1.719	10	20	CDCD	
Nc1ccc(CNC(=O)NCCC2=CCNCC2)cc1	1262597556	RWQVJITULIIYDI-UHFFFAOYSA-N	274.368	1.378	10	20	CDCD	
CN(C)c1ccnc(CNC(=O)Cc2ccc(N)cc2)c1	1342466131	SPCAWMDDGOKAJW-UHFFFAOYSA-N	284.363	1.589	10	20	CDCD	
CN(C)[C@H]1CCC[C@@H](NC(=O)NCc2ccc(N)cc2)C1	1262577382	OXRNLLGBYMOCAV-CABCVRRESA-N	290.411	1.941	10	20	CDCD	
Cc1ccc(O)c(CN[C@@]2(CC(=O)O)CCOC2)c1	1600465032	OIKWVUZMKISNPG-CQSZACIVSA-N	265.309	1.424	10	20	CDCD	
Cc1ccc([C@@H](C)NCCn2cc(C(=O)O)nn2)c(O)c1	1610490818	MYEMOZGGIUASAX-SNVBAGLBSA-N	290.323	1.341	10	20	CDCD	
CC(=O)C(=O)COc1ccc(-c2nn[nH]n2)cc1Cl	1588782921	ZVCXHPOJXIPMOF-UHFFFAOYSA-N	280.671	1.057	10	20	CDCD	
Cn1nccc1[C@@H](NCc1ccc(Cl)cc1O)C(=O)O	1594594982	KBTOUQANJHJFPG-GFCCVEGCSA-N	295.726	1.695	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](C)CCO	160163115	MYGGUJBCXVVBFR-GFCCVEGCSA-N	279.384	1.631	10	20	CDCD	
CC(C)[C@H](C(=O)NCCc1ccc(N)cc1)N(C)C	152503982	JMANELFPCHATST-CQSZACIVSA-N	263.385	1.514	10	20	CDCD	
C[C@@H](NCCN1CCCC1=O)c1ccc(F)cc1O	405414912	OMBKTKSXOBXWSE-SNVBAGLBSA-N	266.316	1.804	10	20	CDCD	
COc1cccc(CNC(=O)c2ccc(=O)n(C)c2)c1O	105651444	ZWEATLRUGBLQAW-UHFFFAOYSA-N	288.303	1.030	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N[C@](C)(CO)C2CC2)cc1	304838393	ORKPBCNIAVMGEZ-MRXNPFEDSA-N	291.395	1.713	10	20	CDCD	
CCC[C@](C)(O)C(=O)NCc1ccc(O)c(O)c1	182537869	SNFIWLYGKWIBIL-ZDUSSCGKSA-N	253.298	1.265	10	20	CDCD	
Cc1cccc2nc(CNC(=O)c3cccc(O)c3O)cn12	187083969	AELUQAWQZRHMOL-UHFFFAOYSA-N	297.314	1.984	10	20	CDCD	
CNC(=O)[C@H]1CCCCN1Cc1cc2c(cc1O)OCO2	133055253	HCDXFZNIEQRJSY-LLVKDONJSA-N	292.335	1.221	10	20	CDCD	
CCOC1CC(C(=O)NCCc2ccc(O)c(O)c2)C1	288391619	YRTSNVMKDHABCP-UHFFFAOYSA-N	279.336	1.572	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)CCOC1CCOCC1	84631244	AFKRGXXDYIUSJJ-UHFFFAOYSA-N	293.363	1.936	10	20	CDCD	
COc1ccc(CNCCS(=O)(=O)C(C)C)cc1C	290131591	JTRQZZLNQZLZIU-UHFFFAOYSA-N	285.409	1.916	10	20	CDCD	
COC[C@@H](CCO)N[C@@H](C)c1cc(F)ccc1O	230663353	WGAKKSAYBYWBKG-GXSJLCMTSA-N	257.305	1.579	10	20	CDCD	
CCOCCO[C@@H](C)C(=O)NCc1ccc(O)c(O)c1	269101531	PFUJONIPYWBNSW-JTQLQIEISA-N	283.324	1.156	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NCCC(C)(C)O)cc1	274908124	IHOFBZVFVAQCSO-UHFFFAOYSA-N	279.384	1.713	10	20	CDCD	
Cc1ncc2c(n1)CC[C@H](NC(=O)Cc1ccc(N)cc1)C2	366326427	XQVYIRZNEHYFJR-HNNXBMFYSA-N	296.374	1.583	10	20	CDCD	
COc1ccc(O)c(CN2CC[C@@H]([C@@H](C)O)C2)c1	272584318	YQWHEKXWSYLHRK-GHMZBOCLSA-N	251.326	1.604	10	20	CDCD	
CN1CC(=O)N[C@@H]1c1ccc(N2CCCCC2)cc1	298788701	OVQPMPJLKXEMRG-HNNXBMFYSA-N	259.353	1.737	10	20	CDCD	
Cn1cnc(CNCc2cc([N+](=O)[O-])ccc2O)c1	808384991	HNBIENZSTYAQSQ-UHFFFAOYSA-N	262.269	1.324	10	20	CDCD	
C[C@H]1CN(Cc2cc(Br)ccc2O)CC(=O)N1	295092578	TYEVAJWVQYATJJ-QMMMGPOBSA-N	299.168	1.475	10	20	CDCD	
COc1ccc(O)c([C@H](C)NCCCc2cnn(C)n2)c1	293032381	ADMXERQCVHXTAJ-NSHDSACASA-N	290.367	1.813	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)NC[C@H](C)N)c1	817971490	DOTVBHHCMJAQMB-IUCAKERBSA-N	252.314	1.177	10	20	CDCD	
O=C1CN(Cc2ccccc2O)C(=O)N1C[C@@H]1CCCO1	819166114	MQLDBXPEQRZWPV-LBPRGKRZSA-N	290.319	1.335	10	20	CDCD	
CCN(C)c1ccc(CN2CC[C@@H](NC(C)=O)C2)cc1	817280261	BDLJKYOEIGOYOL-OAHLLOKOSA-N	275.396	1.853	10	20	CDCD	
C[C@H]1C[C@@H](C)[C@H](CN)CN1Cc1cc2c(cc1O)OCO2	817864847	DVDKCQBQSNGVOB-NTZNESFSSA-N	292.379	1.926	10	20	CDCD	
COC[C@]1(CO)CCN(Cc2cccc(Cl)c2O)C1	825158688	WIOMHQWEKSJGSD-CQSZACIVSA-N	285.771	1.876	10	20	CDCD	
Cn1cc(C(C)(C)NC(=O)c2cccc(O)c2O)cn1	839800790	WHNZWYKNTIULMC-UHFFFAOYSA-N	275.308	1.496	10	20	CDCD	
COc1ccc2c(c1)CCCN2C[C@@H](O)Cn1cccn1	730079957	JMGNPYSQSRQPBQ-CQSZACIVSA-N	287.363	1.705	10	20	CDCD	
CN1CCC[C@H](CN(C)C(=O)c2cc(O)cs2)C1	734552671	JOKNQNACHVYKSM-JTQLQIEISA-N	268.382	1.868	10	20	CDCD	
Nc1ccc(NC(=O)c2cnn([C@H]3CCCNC3)c2)cc1	832250719	ZODHPWHLMMTFKL-AWEZNQCLSA-N	285.351	1.642	10	20	CDCD	
CCCc1cc(C(=O)NCc2ccc(O)cc2O)no1	910944098	KSWBDOCQHBHYRG-UHFFFAOYSA-N	276.292	1.968	10	20	CDCD	
CCOc1cccc(CN[C@H](CO)[C@H]2CCCOC2)c1O	840962920	OCBPDFGRTGUZED-UONOGXRCSA-N	295.379	1.668	10	20	CDCD	
C[C@H](C(=O)NCc1ccc(N(C)C)cc1)c1cnn(C)c1	749874964	SEZIWSCTIVVMPW-LBPRGKRZSA-N	286.379	1.906	10	20	CDCD	
CC[C@H]1CCCN(C(=O)C(=O)Nc2ccc(N)cc2)C1	841017328	ZJJLIFILGSFCTM-NSHDSACASA-N	275.352	1.856	10	20	CDCD	
COc1ccc(CNC[C@H]2CNCCCO2)cc1C	841087243	SCDZGERXHRBCBL-CQSZACIVSA-N	264.369	1.472	10	20	CDCD	
C[C@@H](N[C@H](CO)CCF)c1cc([N+](=O)[O-])ccc1O	846210376	ZKGMJVANNKWIMI-BDAKNGLRSA-N	272.276	1.672	10	20	CDCD	
NC[C@H](NCc1ccc(N2CCOCC2)c(F)c1)C1CC1	841028584	PXOWFUFIJCVUQY-HNNXBMFYSA-N	293.386	1.489	10	20	CDCD	
CC(C)[C@H](N)CNCc1ccc(N2CCOCC2)c(F)c1	841031148	XCWWYAXCTMPKBQ-OAHLLOKOSA-N	295.402	1.735	10	20	CDCD	
CC[C@@H](C)N(CC)Cc1cc(O)n2ncc(C(=O)O)c2n1	849344436	MDVPIINUQUUIEV-SECBINFHSA-N	292.339	1.754	10	20	CDCD	
C[C@@H](CNCc1cc(Cl)cc(F)c1O)C(=O)O	848637237	DLXMZEIGPVJJCY-LURJTMIESA-N	261.680	1.995	10	20	CDCD	
Cn1cc(/C=C/C(=O)N2CCOc3ccncc32)cn1	750137759	BFNZFMVLQKMXOP-NSCUHMNNSA-N	270.292	1.254	10	20	CDCD	
COc1cccc(CNC(=O)c2cc(C)ncn2)c1O	759609260	RVHWDVPJFANXEU-UHFFFAOYSA-N	273.292	1.429	10	20	CDCD	
CCOc1ccc(CN2CCn3cnnc3C2)c(O)c1	769360727	UTEYLVAYEAWJNO-UHFFFAOYSA-N	274.324	1.398	10	20	CDCD	
Cc1cccc(O)c1CN(C)[C@@H](C)CS(C)(=O)=O	876732765	FRCRDYVBXMCPKE-NSHDSACASA-N	271.382	1.566	10	20	CDCD	
Cc1ccc(CC(=O)NCc2ccc(O)c(O)c2)cn1	768914788	JTTVDWAHSTXAIN-UHFFFAOYSA-N	272.304	1.660	10	20	CDCD	
CC1(NCc2cc(Cl)cc([N+](=O)[O-])c2O)COC1	877690605	CKKUDUZHDPXEQY-UHFFFAOYSA-N	272.688	1.832	10	20	CDCD	
CCN1CCN(CCCNCc2c(C)cccc2O)CC1	877146207	UNPAREWNYBEYFE-UHFFFAOYSA-N	291.439	1.818	10	20	CDCD	
CC[C@H]1C(=O)N(CC)CCN1Cc1cc(F)ccc1O	779218942	WTEQJBWDDQHEHO-ZDUSSCGKSA-N	280.343	1.974	10	20	CDCD	
COc1cc(O)c(CNC2CSC2)cc1OC	877634699	QSHXBNGLKZYLJE-UHFFFAOYSA-N	255.339	1.614	10	20	CDCD	
COc1ccc(CNC/C=C/CO)cc1Cn1cccn1	873135874	OXQKAAMQZHAPGT-NSCUHMNNSA-N	287.363	1.578	10	20	CDCD	
CC(=O)[C@H](C)OC(=O)/C=C/c1ccc(O)c(O)c1	772770863	VNXCAFXRBCZPRW-DNQSNQRASA-N	250.250	1.632	10	20	CDCD	
CC[C@]1(O)CCCN(C(=O)c2c(F)ccc(O)c2O)C1	881297221	HJNVCTQZFRTIBC-AWEZNQCLSA-N	283.299	1.614	10	20	CDCD	
COCC[C@@](C)(O)CNC(=O)/C=C\c1ccc(O)c(O)c1	779525356	KNTYIFVHBUDVKC-ZDTYVGOBSA-N	295.335	1.015	10	20	CDCD	
COCCN(CCOC)C(=O)c1ccc(C)c(O)c1O	770466813	ZKBIMGXSCAGJRR-UHFFFAOYSA-N	283.324	1.141	10	20	CDCD	
CC1(C)CN(Cc2cc3c(cc2O)OCO3)CC[C@H]1O	783728307	GPKQWXCAMHGGEN-CQSZACIVSA-N	279.336	1.714	10	20	CDCD	
Cc1nn[nH]c1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	789892825	SXRLCGLOYKFBCY-UHFFFAOYSA-N	299.378	1.984	10	20	CDCD	
COc1ccc(CNC(=S)NC2(C)CC2)c(O)c1	789319164	QKBGKRFVIVAIAK-UHFFFAOYSA-N	266.366	1.917	10	20	CDCD	
COc1cc(C)cc(CN[C@H]2CC(=O)N(C(C)C)C2)c1O	894281404	SZIBKKQVVHJRHP-ZDUSSCGKSA-N	292.379	1.808	10	20	CDCD	
CC[C@]1(NC(=O)/C=C\c2ccc(O)c(O)c2)CCOC1	791428220	IKWKPOMKVWOOTA-VOKGJARPSA-N	277.320	1.796	10	20	CDCD	
CCOc1ccc(CNCC2([S@](C)=O)CC2)c(O)c1	799348514	FWZXSXKLVAFZME-IBGZPJMESA-N	283.393	1.792	10	20	CDCD	
c1cc(N2CCOCC2)ccc1CN[C@H]1CCCOC1	109544405	YDGOECSXCFZIHU-HNNXBMFYSA-N	276.380	1.792	10	20	CDCD	
CC1(C(=O)O)CN(Cc2cc(F)cc(F)c2O)C1	708090054	NDOQWWYHZCXNKS-UHFFFAOYSA-N	257.236	1.577	10	20	CDCD	
CCN1CC[C@H](OC(=O)c2ccc(C)c(O)c2O)C1=O	1333182002	MGSKDBILYRWZLX-JTQLQIEISA-N	279.292	1.184	10	20	CDCD	
COc1ccc(CN[C@@H](C)c2noc(C)n2)c(O)c1OC	1262371286	GXDCXKZBFLIRIK-QMMMGPOBSA-N	293.323	1.952	10	20	CDCD	
C[C@H](C[C@H]1CCOC1)NC(=O)NCc1ccc(N)cc1	1357261976	PAKCULUEVNNRPF-DGCLKSJQSA-N	277.368	1.883	10	20	CDCD	
Cn1nccc1CCC(=O)NCc1cccc(O)c1O	1352657783	KDEOUVYUKZBATK-UHFFFAOYSA-N	275.308	1.080	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H](C(=O)O)C1CC1	1601238143	GNUHGGNZADYXBF-IUAZIXFQSA-N	277.276	1.090	10	20	CDCD	
COc1ccc(CNC(=O)c2c[nH]c(C(=O)O)c2)c(O)c1	1610334167	XWDOTBDMDQGOGQ-UHFFFAOYSA-N	290.275	1.357	10	20	CDCD	
CNC(=O)Cc1noc(-c2ccc(-n3cccc3)cc2)n1	163179796	RKTIWSZHODLNIV-UHFFFAOYSA-N	282.303	1.816	10	20	CDCD	
COc1cccc(O)c1CNCCCCS(C)(=O)=O	818224743	PVTUDGQYCJOPEC-UHFFFAOYSA-N	287.381	1.315	10	20	CDCD	
C[C@H]1CN(Cc2cc(F)ccc2O)C[C@@H](C)S1(=O)=O	290903239	MGGDOFHWVMQXER-AOOOYVTPSA-N	287.356	1.539	10	20	CDCD	
COc1ccc(O)c(CN[C@@H]2CCCN(C)C2=O)c1	704348865	FVPFKLNYQAYYMM-GFCCVEGCSA-N	264.325	1.111	10	20	CDCD	
COC[C@H]1CN(Cc2cc(F)cc(F)c2O)CCO1	708385613	TXVGBLFHYMXSKN-LLVKDONJSA-N	273.279	1.518	10	20	CDCD	
CC(C)[C@@H](CO)CNC(=O)c1cccc(O)c1O	394175931	KMHFRJRVAVMJBH-SECBINFHSA-N	253.298	1.092	10	20	CDCD	
NCC1(O)CCN(Cc2c(O)cccc2Cl)CC1	397026248	NXTVGIKWPXWZBI-UHFFFAOYSA-N	270.760	1.331	10	20	CDCD	
CN1CCc2cc(OC[C@@H]3C[N@@]3Cc3cnn(C)c3)ccc21	1887518966	BGXDWUUXFACIOZ-YCRPNKLZSA-N	298.390	1.676	10	20	CDCD	
COC(=O)[C@H](C)CN(C)Cc1cccc(C)c1O	179773710	YPXLODFWPIFQLF-LLVKDONJSA-N	251.326	1.942	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CCOC2)c1	103529163	TXEHFDQBSYKDJI-UWVGGRQHSA-N	265.309	1.615	10	20	CDCD	
Cc1cc(O)c(CN2CCS(=O)(=O)C[C@H]2C)cc1C	172610701	STJXXOUCKMIOFY-GFCCVEGCSA-N	283.393	1.628	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2cn(C)cn2)cc1	178159784	XGLKBRGICUIHIT-UHFFFAOYSA-N	258.325	1.416	10	20	CDCD	
COc1ccc(N(C)CC(=O)N2CCOCC2)cc1Cl	121969050	PTONPLAPFKTFHB-UHFFFAOYSA-N	298.770	1.644	10	20	CDCD	
CNC(=O)CCN(C)Cc1ccc(N2CCOCC2)cc1	125684243	SSHODECMCXOQAX-UHFFFAOYSA-N	291.395	1.091	10	20	CDCD	
O=C(NC[C@]1(O)CCc2ccccc21)c1cccc(O)c1O	187201916	CAGAWMAAFSKXMQ-QGZVFWFLSA-N	299.326	1.662	10	20	CDCD	
COC(=O)[C@@H](C)NCc1cc(Cl)cc(OC)c1O	193099286	BKPIRZTZVDYSAF-SSDOTTSWSA-N	273.716	1.705	10	20	CDCD	
CN(C)CC(=O)NCc1ccc(N2CCCC2)cc1	193557108	VHVIJULIVUBQJB-UHFFFAOYSA-N	261.369	1.465	10	20	CDCD	
COc1cc(Cl)cc(CN2CCC(N)CC2)c1O	229102415	YQRCDCUVUUVFCA-UHFFFAOYSA-N	270.760	1.977	10	20	CDCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CCN	40855903	FLGQZWKTTBZIEW-UHFFFAOYSA-N	275.396	1.984	10	20	CDCD	
COC[C@H](CNCc1ccc(N(C)C)cc1)OC	227707556	YPVWJZCQTALJIH-AWEZNQCLSA-N	252.358	1.504	10	20	CDCD	
COC(=O)[C@@H](C)NCc1ccc(N(C)C)c(F)c1	272430862	QNHKHYXNJVVXQI-SECBINFHSA-N	254.305	1.543	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H]2CCc3c[nH]nc3C2)c(O)c1O	371583709	ZZWDPXKPWIDZPE-SNVBAGLBSA-N	287.319	1.417	10	20	CDCD	
CC[S@](=O)CCNCc1ccc2c(c1)CCCO2	921720576	BGOODFJZBDTNOI-SFHVURJKSA-N	267.394	1.870	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CCc2cnccn2)cc1	280409186	YDRWQJDKPXYNOY-UHFFFAOYSA-N	284.363	1.792	10	20	CDCD	
Cc1cc(CN2CCc3n[nH]c(=O)cc3C2)ccc1N(C)C	294502490	IHOCTSUZNDHIGA-UHFFFAOYSA-N	298.390	1.703	10	20	CDCD	
CO[C@@H]1CCC[C@H](C(=O)NCCc2ccc(O)c(O)c2)C1	815833862	HXKJVWXWKVTNBN-QWHCGFSZSA-N	293.363	1.962	10	20	CDCD	
COCC1(CN[C@H]2CCc3cccc(O)c32)CCNCC1	817973623	FMYINBWYZVWRFX-AWEZNQCLSA-N	290.407	1.985	10	20	CDCD	
O=C(COC(=O)c1cc(F)c[nH]1)c1ccc(O)c(O)c1	815392046	UCIKIXDHNYSCDE-UHFFFAOYSA-N	279.223	1.605	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)[C@@H](COC)OC)cc1	822607804	NLWOXQKFYMCRFJ-OAHLLOKOSA-N	294.395	1.810	10	20	CDCD	
CN(CC[S@@](C)=O)Cc1ccc(N2CCOCC2)cc1	827336704	LMQQUIKMJLPYSD-HXUWFJFHSA-N	296.436	1.334	10	20	CDCD	
COc1cccc(CNC(=O)c2cn3ccccc3n2)c1O	730588297	CSBYTYMNKHMBOR-UHFFFAOYSA-N	297.314	1.979	10	20	CDCD	
CCO[C@H]1C[C@@](CO)(NC(=O)c2cc(O)cs2)C1(C)C	832677727	LJVDUXZBSYUJFB-FZMZJTMJSA-N	299.392	1.750	10	20	CDCD	
NC[C@@H]1CCCC[C@H]1NCc1cc2c(cc1O)OCO2	841029499	HVZXHQXQBNSHMW-CMPLNLGQSA-N	278.352	1.728	10	20	CDCD	
CC[C@@H](O)CCNC(=O)NCCc1ccc(N)cc1	841956574	CCQGMFGCTPQPQE-CYBMUJFWSA-N	265.357	1.272	10	20	CDCD	
C[C@H](N)CCNC(=O)N[C@H](C)c1ccc(N(C)C)cc1	841882570	KLVOMBDLTAIDTK-NWDGAFQWSA-N	278.400	1.850	10	20	CDCD	
CC(=O)c1cc(F)cc(CN(C)C2CC(N)C2)c1O	843387900	PSAUTWYAALFAED-UHFFFAOYSA-N	266.316	1.655	10	20	CDCD	
CCN(CC)c1ccc(CN2CC[C@H](O)[C@@H](CO)C2)cc1	840975453	NVQYXOJZFMZIDH-WBVHZDCISA-N	292.423	1.708	10	20	CDCD	
C[C@H]1SCCN(C(=O)C(=O)Nc2ccc(N)cc2)[C@@H]1C	841041120	DSDPWWFXRYLSNH-NXEZZACHSA-N	293.392	1.560	10	20	CDCD	
CN(C)c1ccc(CN[C@H]2CCCNC2)cc1F	841043879	YHCGLZJEITZQCW-LBPRGKRZSA-N	251.349	1.733	10	20	CDCD	
CN1C(=O)C(=Cc2nccc3ccccc23)C(=O)N(C)C1=O	740764468	WHZZQKBCWWQCGK-UHFFFAOYSA-N	295.298	1.669	10	20	CDCD	
OC[C@H](CCF)NCc1cc(Cl)c(F)cc1O	846098101	YZFYFYCUHRKTDB-QMMMGPOBSA-N	265.687	1.995	10	20	CDCD	
C[C@@H]1COC[C@H]1NC(=O)/C=C/c1ccc(O)c(O)c1	928902510	IYPHIPMQOCOASF-DREQKGALSA-N	263.293	1.262	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1CCCO1	759579700	NXDXOTBGKMTIDZ-DUMNWFOQSA-N	264.277	1.833	10	20	CDCD	
CN(C)CCCNC(=O)CSc1ncc(Cl)s1	850000518	XWYVVXKBAVUPSR-UHFFFAOYSA-N	293.845	1.957	10	20	CDCD	
COc1cccc(O)c1CN(C)CCn1cccn1	769403430	HWXUASZGKUYXFV-UHFFFAOYSA-N	261.325	1.729	10	20	CDCD	
CC[C@H](NC(C)=O)C(=O)NCc1cc(Cl)ccc1O	869147057	NSJUFDSOLWHBRR-NSHDSACASA-N	284.743	1.577	10	20	CDCD	
CC(C)C1(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)COC1	935312799	ZETZNKPPLHWCKG-NSHDSACASA-N	293.363	1.818	10	20	CDCD	
CCN(CC(=O)N(C)C)Cc1ccc(N(C)C)c(F)c1	768309096	XYAGBYILWFJDMJ-UHFFFAOYSA-N	281.375	1.802	10	20	CDCD	
CNC(=O)[C@H]1CCCCN1Cc1ccc(C)cc1O	876584395	WIELGBQPBZXAJK-CYBMUJFWSA-N	262.353	1.801	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CCN(C)C2=O)c1	773408122	QUZNJDBYQIJWQY-GXSJLCMTSA-N	292.335	1.056	10	20	CDCD	
Nc1ccc(CCNC(=O)[C@H]2CCCCC[C@H]2N)cc1	872257983	OPBAUAYIMQVDQC-LSDHHAIUSA-N	275.396	1.835	10	20	CDCD	
CCN(C)c1ccc(CN2CCN(CCOC)CC2)cc1	773730502	IOZOPUJJBKDKHD-UHFFFAOYSA-N	291.439	1.907	10	20	CDCD	
Cc1nnc(NCc2ccc(N3CCOCC3)c(F)c2)o1	777505193	LWZPDEVBSWOTHQ-UHFFFAOYSA-N	292.314	1.966	10	20	CDCD	
Cc1ccc(CN2CCSC[C@@H]2CO)c(O)c1	877779956	INNKRUAAAUPQDX-LBPRGKRZSA-N	253.367	1.610	10	20	CDCD	
COC1(CO)CCN(C(=O)c2ccc(C)c(O)c2O)CC1	773254232	JCGBIJSPQXSUOY-UHFFFAOYSA-N	295.335	1.020	10	20	CDCD	
CC[C@@H](CO)C(=O)NCc1ccc2c(c1)CCCN2C	779618586	KGIZSKXUMPNBBM-ZDUSSCGKSA-N	276.380	1.704	10	20	CDCD	
CCOc1ccc(CN2CCCN(C)CC2)c(O)c1	771924565	OEWMVGROKYFEDD-UHFFFAOYSA-N	264.369	1.928	10	20	CDCD	
CC(=O)NCc1cn(Cc2ccc(N(C)C)c(C)c2)nn1	881378506	PDBWHPIXTXPQRD-UHFFFAOYSA-N	287.367	1.337	10	20	CDCD	
Cc1ccc(C(=O)NCc2ccn(C)c2)c(O)c1O	780963510	QSVWWQACGIRLQW-UHFFFAOYSA-N	260.293	1.675	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2C[C@H](C)[C@@H](O)C2)c1O	897679708	KXKHNTXPXOHPPS-KWQFWETISA-N	282.296	1.122	10	20	CDCD	
COCCCCC(=O)OCC(=O)c1ccc(O)c(O)c1	783281996	LWLSODFPRTUICN-UHFFFAOYSA-N	282.292	1.640	10	20	CDCD	
CC1=NO[C@@H](CNCc2ccc(N3CCOCC3)cc2)C1	895311058	NTPUOMVYIPXFSE-MRXNPFEDSA-N	289.379	1.778	10	20	CDCD	
C[C@@H]1CN(Cc2ccc(N3CCN(C)CC3)cc2)C[C@H]1O	897681157	PSEQVDCADKMKKR-RHSMWYFYSA-N	289.423	1.251	10	20	CDCD	
CCc1cccc(CN2CCO[C@@H](OC)C2)c1O	895964235	VKOOHGXFBPPVML-CYBMUJFWSA-N	251.326	1.759	10	20	CDCD	
COc1ccc(CNC(=O)c2oc(C)nc2C)c(O)c1	794378830	WODBMEFXILCIRS-UHFFFAOYSA-N	276.292	1.936	10	20	CDCD	
Cc1ccc(C(=O)NOC/C=C\Cl)c(O)c1O	794295680	JXVUVUHCOOJVLJ-DJWKRKHSSA-N	257.673	1.820	10	20	CDCD	
COc1ccc(CNc2c([N+](=O)[O-])ncn2C)c(O)c1	795286048	YLQJZUXOGRWOCE-UHFFFAOYSA-N	278.268	1.655	10	20	CDCD	
O=C(NCc1nc2cccnc2[nH]1)c1cccc(O)c1O	793930518	CHTLLFIVFDKDBE-UHFFFAOYSA-N	284.275	1.299	10	20	CDCD	
CNC(=O)CN(C)Cc1cc(Cl)cc(C(C)=O)c1O	50133791	DDUDSGOSWHCNGX-UHFFFAOYSA-N	284.743	1.426	10	20	CDCD	
CC[C@H]1CC[C@@H](C(=O)NCCc2ccc(O)c(O)c2)O1	270551233	OUIDNRIDTJQFLF-FZMZJTMJSA-N	279.336	1.714	10	20	CDCD	
O=C(CCn1cccn1)NCCc1ccc(O)c(O)c1	271274263	YFQMOMVZHHTQNM-UHFFFAOYSA-N	275.308	1.043	10	20	CDCD	
COCCN1CC[C@@H](N[C@@H](C)c2ccc(F)cc2O)C1	273572580	KZNUUFVNENWGFF-WCQYABFASA-N	282.359	1.903	10	20	CDCD	
COc1cc(NC(=O)CN=[N+]=[N-])cc(OC)c1OC	100673027	DDGSUJUZAOTPTD-UHFFFAOYSA-N	266.257	1.961	10	20	CDCD	
COC[C@@H](CCO)NCc1ccc2c(c1)CCO2	219135911	FUTMFCHISQMZMA-CYBMUJFWSA-N	251.326	1.109	10	20	CDCD	
COC(=O)c1cccc(/C=C2\SC(=S)NC2=O)c1	1322546245	FIWQAEAMEHRABX-TWGQIWQCSA-N	279.342	1.962	10	20	CDCD	
Cn1cc(N2CC[C@@H](N[C@H]3CCc4cccc(O)c43)C2)cn1	1261276322	DSGAJOAWCHRJFS-HIFRSBDPSA-N	298.390	1.982	10	20	CDCD	
Cn1cnc(/C=C/C(=O)N2C[C@@H](CCN)c3ccccc32)c1	1263173489	CGLDVZOOUVGBES-KTRBRXNASA-N	296.374	1.913	10	20	CDCD	
CC[C@@H]1C[C@@H](C(=O)NCc2cccc(O)c2O)CCO1	1347233313	ICVKPBDNRFTITE-CMPLNLGQSA-N	279.336	1.919	10	20	CDCD	
O=C(O)[C@@H]1CCC[C@H]1NCc1cc2c(cc1O)OCO2	1601808482	MXOUZESQVXSOLT-NXEZZACHSA-N	279.292	1.464	10	20	CDCD	
C[C@H](CC(=O)O)NC(=O)/C=C/c1ccc(O)c(O)c1	1603124881	XVQVTFOYOHYTNS-RYEJSQLPSA-N	265.265	1.090	10	20	CDCD	
Cn1cc(CNCc2ccccc2O)cc1C(=O)O	1610604788	QMXFYYQLGRSMIF-UHFFFAOYSA-N	260.293	1.719	10	20	CDCD	
COc1cc(C)c(CN[C@H]2C[C@H]3CC[C@@H]2N3)c(O)c1	1579144440	GLDMUAVQMVMGTR-SWHYSGLUSA-N	262.353	1.692	10	20	CDCD	
C/C(=C/COC(=O)c1cccc(O)c1O)C(=O)O	1588991957	LYYFXJFBLOUAKU-ALCCZGGFSA-N	252.222	1.286	10	20	CDCD	
O=C(O)CCNCc1c(O)ccc(F)c1Br	1777640878	PBDDNXKQTDCABB-UHFFFAOYSA-N	292.104	1.858	10	20	CDCD	
CCN(C)S(=O)(=O)N[C@H](C)c1cc(OC)ccc1O	161189839	HKHNEUSPPTYEGZ-SECBINFHSA-N	288.369	1.248	10	20	CDCD	
CC(=O)NC[C@H]1CCCN(Cc2ccccc2O)C1	155651737	IAUFGDWCSUCWBM-CYBMUJFWSA-N	262.353	1.740	10	20	CDCD	
CN(C[C@H]1COCCO1)C(=O)Nc1ccc(N)cc1	850749145	BCIQJMBHYCGEEA-LBPRGKRZSA-N	265.313	1.148	10	20	CDCD	
CS(=O)(=O)[C@H]1CCCN(Cc2cc(F)ccc2O)C1	274128776	ORYBQCPJBCDWSH-LBPRGKRZSA-N	287.356	1.540	10	20	CDCD	
Cc1nn(C)c(C)c1S(=O)(=O)Nc1ccc(O)cc1	48728023	GQDNRHQMMRXTQX-UHFFFAOYSA-N	281.337	1.543	10	20	CDCD	
CCOC[C@H](O)CN[C@@H](C)c1ccc(N(C)C)cc1	312032290	YDKKRKYJEHZNGF-SWLSCSKDSA-N	266.385	1.801	10	20	CDCD	
OCCOCCCNCc1cc(F)cc(F)c1O	708454352	PXUCPQSBNZNAGB-UHFFFAOYSA-N	261.268	1.159	10	20	CDCD	
COCC[C@](C)(O)CNCc1cc(F)cc(F)c1O	708536095	WBXSVUZHLDPYEJ-ZDUSSCGKSA-N	275.295	1.548	10	20	CDCD	
C[C@H](NC[C@@H](O)CN(C)C)c1cc(F)ccc1O	717363406	CJKIUXNGKVRXIM-GXSJLCMTSA-N	256.321	1.104	10	20	CDCD	
Oc1cc2c(cc1CN[C@H]1CCN3CCC[C@@H]3C1)OCO2	112017224	IKDXCZYCSUBXDV-QWHCGFSZSA-N	290.363	1.837	10	20	CDCD	
C[C@H](CC[S@@](C)=O)NCc1ccc2c(c1)CCO2	122754575	FPOOSGTWBWQBEB-ZMZPIMSZSA-N	267.394	1.868	10	20	CDCD	
Cc1ccc(O)c(CN2CCN(S(C)(=O)=O)[C@@H](C)C2)c1	181927063	SKRQDTUTQALIPC-LBPRGKRZSA-N	298.408	1.166	10	20	CDCD	
C[C@@H](CN1CCN(C)CC1)N[C@@H](C)c1ccccc1O	183502128	ZRRCKCFTMZFBOC-KBPBESRZSA-N	277.412	1.679	10	20	CDCD	
CO[C@H](C)CNC(=O)/C=C/c1ccc(O)c(O)c1	189613917	CQMCANKUJNPVRL-OTQAPUNGSA-N	251.282	1.262	10	20	CDCD	
COc1cccc(CNC(=O)N[C@H](C)CCN(C)C)c1O	73906807	NMQIDAASUQZRCK-LLVKDONJSA-N	295.383	1.540	10	20	CDCD	
CC(C)(C)[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C(N)=O	181049317	ONHFVGWBJGJHFU-VUDGCMKMSA-N	292.335	1.127	10	20	CDCD	
Oc1cc2c(cc1CNCc1nccs1)OCO2	42880404	DMUNVMWNRYHMOP-UHFFFAOYSA-N	264.306	1.867	10	20	CDCD	
C[C@H](NCc1cc2c(cc1O)OCO2)C(=O)NC(C)(C)C	134493388	NROSYMYITLSBJJ-VIFPVBQESA-N	294.351	1.514	10	20	CDCD	
COCC(=O)NCc1ccc(N2CCSCC2)cc1	48607683	JHYIUCIUUPKKQT-UHFFFAOYSA-N	280.393	1.502	10	20	CDCD	
COc1ccc(N2CCN(C(=O)C3(N)CCC3)CC2)cc1	147476452	KDBKBKCURFHOJG-UHFFFAOYSA-N	289.379	1.225	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccnc(O)c1	349546887	OWZWGFJCYMJAFK-UHFFFAOYSA-N	299.330	1.892	10	20	CDCD	
CO[C@@H](CNC(=O)NCc1ccccc1O)C(C)C	266840001	OMGSJHJDKQENOA-ZDUSSCGKSA-N	266.341	1.862	10	20	CDCD	
Cc1ccc(C(=O)N2CC[C@H](n3cncn3)C2)c(O)c1O	364478170	TVWQFRGVSFHGLZ-JTQLQIEISA-N	288.307	1.085	10	20	CDCD	
CC[C@H](C)NC(=O)[C@@H](C)NC(=O)c1c(F)ccc(O)c1O	276619226	QRTAUUFUUDMADK-JGVFFNPUSA-N	298.314	1.270	10	20	CDCD	
Cc1cc(CN2CC(=O)N(C3CC3)C2)ccc1N(C)C	294014820	GXZLPSHDUXGAKP-UHFFFAOYSA-N	273.380	1.825	10	20	CDCD	
CN1CCC[C@@]2(CCN(C(=O)c3cccc(O)c3O)C2)C1	294209474	QMNWECLUBCDMBC-MRXNPFEDSA-N	290.363	1.656	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN(C)C[C@H](O)C2CC2)c1O	809752965	YDAFVOBRGWXGSA-LBPRGKRZSA-N	296.323	1.512	10	20	CDCD	
Cc1cc(CN2CC[C@@H](CC(N)=O)C2)ccc1N(C)C	815119842	HVXXGMPWYZZWTJ-AWEZNQCLSA-N	275.396	1.758	10	20	CDCD	
Cc1ccc(C(=O)OCC(=O)c2ccc[nH]2)c(O)c1O	727005555	SEHUZXMFLFNOFB-UHFFFAOYSA-N	275.260	1.774	10	20	CDCD	
CCOc1ccccc1NC[C@H](O)C[C@@]1(O)CCOC1	905294706	JOEDHXWQDWXWKW-DOMZBBRYSA-N	281.352	1.400	10	20	CDCD	
CC1(C)COCCN1CCNC(=O)c1cc(O)cs1	732285966	LNEMBRPIYKYSOU-UHFFFAOYSA-N	284.381	1.294	10	20	CDCD	
CC(C)[C@@H](CO)ONC(=O)NCc1ccc(N(C)C)cc1	836232452	AZPXFUHKVNQHSZ-CQSZACIVSA-N	295.383	1.500	10	20	CDCD	
CC[C@@H](NC(=O)c1c(F)ccc(O)c1O)[C@@H](C)O	839783411	YYRHWOZGECTTBT-HTRCEHHLSA-N	257.261	1.126	10	20	CDCD	
O=C(NCc1ccc(N2CC=CC2)cc1)O[C@H]1CNOC1	919907990	CJRXDWFWCUCFKE-AWEZNQCLSA-N	289.335	1.192	10	20	CDCD	
CN1C(=O)C2(CCCC2)N[C@H]1c1cc([N+](=O)[O-])ccc1O	742440241	SHOVAECQKMZIQK-GFCCVEGCSA-N	291.307	1.673	10	20	CDCD	
COc1ccc(N2CC[C@H](CNC(=N)N3CCC3)C2)cc1	849043397	BNVBLSAMOGKOFR-CYBMUJFWSA-N	288.395	1.752	10	20	CDCD	
Oc1ccc(Cl)cc1CNC[C@@H]1C[C@H](F)CN1	841078458	HXGWXZHQMIWVQC-QWRGUYRKSA-N	258.724	1.835	10	20	CDCD	
CN(Cc1ccc(N2CCOCC2)c(F)c1)CC(C)(C)N	849350735	UPHQDEJEZYVNJX-UHFFFAOYSA-N	295.402	1.831	10	20	CDCD	
CCCCOC(=O)C(C)(C)NC(=O)c1cccc(O)c1O	848326896	QSCHKOYSAMKYNO-UHFFFAOYSA-N	295.335	1.950	10	20	CDCD	
COc1cccc([C@H](C)NCCOCCO)c1O	846138539	WARIXYDICPQBFF-JTQLQIEISA-N	255.314	1.060	10	20	CDCD	
COc1cc(O)c(CN(C)CCCN)cc1OC	843050797	QCJWIWBUTBPISI-UHFFFAOYSA-N	254.330	1.190	10	20	CDCD	
CCN(C)C[C@H](O)CN[C@H](C)c1cc(OC)ccc1O	846843443	CMWMBOHDCOTSCW-VXGBXAGGSA-N	282.384	1.364	10	20	CDCD	
Cc1noc(NC(=O)NCCc2ccc(N)cc2)n1	841176354	LUGVYWDHAQIJJL-UHFFFAOYSA-N	261.285	1.324	10	20	CDCD	
COC[C@H]1C[C@@H](O)CN1Cc1cc(Cl)ccc1O	846053808	XVOAMLAUYWSJPB-VXGBXAGGSA-N	271.744	1.627	10	20	CDCD	
Cc1c(NC(=O)NCc2ccc(N(C)C)cc2)nnn1C	841796223	FSSNGGOFBDRDCF-UHFFFAOYSA-N	288.355	1.511	10	20	CDCD	
COc1cccc([C@@H](C)NCC2(S(C)(=O)=O)CC2)c1O	846168591	SZRSWJKJUGSHIZ-SNVBAGLBSA-N	299.392	1.629	10	20	CDCD	
C[C@H](O)CN(C(=O)NCc1ccc(N(C)C)cc1)C1CC1	847276917	NVIOOCRYONVZKM-LBPRGKRZSA-N	291.395	1.807	10	20	CDCD	
CCOCCOCCOC(=O)/C=C/c1ccc(O)c(O)c1	922545322	LMJBQJJCLYHUQB-GQCTYLIASA-N	296.319	1.707	10	20	CDCD	
Cn1ccc(NC(=O)NCCc2ccc(O)c(O)c2)n1	755019421	POXMDKJPUQQBMM-UHFFFAOYSA-N	276.296	1.196	10	20	CDCD	
COC(=O)c1nc(=NCc2ccc(N(C)C)cc2)cc[nH]1	853093887	MKBWDFOVLHFCBO-UHFFFAOYSA-N	286.335	1.363	10	20	CDCD	
O=C(NCc1ccccc1O)c1ccccc1-n1ccnn1	752595674	HUPWVCBOXZZWRL-UHFFFAOYSA-N	294.314	1.903	10	20	CDCD	
C[C@H]1COC[C@@H]1NCc1cc([N+](=O)[O-])ccc1O	922642989	KFVKISNAIOBTDL-KWQFWETISA-N	252.270	1.425	10	20	CDCD	
CNC[C@@H](C)NC(=O)c1cc(C)n(-c2ccccn2)c1C	852920448	BTTOEXUZIFCGKM-LLVKDONJSA-N	286.379	1.827	10	20	CDCD	
CCC[C@@H](CCO)NC(=O)c1ccc(C)c(O)c1O	869866793	NXNWMNNODHMHCE-JTQLQIEISA-N	267.325	1.687	10	20	CDCD	
CO[C@@]1(CN[C@H](C)c2cc([N+](=O)[O-])ccc2O)CCOC1	763575203	RBQICTJLUVCXRU-QMTHXVAHSA-N	296.323	1.757	10	20	CDCD	
O=C(NCc1ccccc1O)c1nc(C2CC2)no1	865921973	YLPFQTZZWNCNEC-UHFFFAOYSA-N	259.265	1.583	10	20	CDCD	
CCC1(O)CCN(Cc2cc3c(cc2O)OC[C@H]3O)CC1	768465331	GZKQWZIVNPVQGU-CQSZACIVSA-N	293.363	1.555	10	20	CDCD	
C[C@H](NCc1nnnn1CC1CC1)c1cc(F)ccc1O	769988187	NRDRCYZCOSXUFX-VIFPVBQESA-N	291.330	1.779	10	20	CDCD	
C[C@@H](O)CN(C)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	776250570	VUIRJDWYJISJRY-VXGBXAGGSA-N	279.384	1.836	10	20	CDCD	
Cc1ccc(CN[C@H]2CCc3nc(C)nn3C2)c(O)c1	877002914	GFKVHLDEZSLSLN-ZDUSSCGKSA-N	272.352	1.705	10	20	CDCD	
Cc1nc([C@@H](C)NC(=O)c2ccc(C)c(O)c2O)no1	1116516870	HXHOJSPDQIVKNM-SSDOTTSWSA-N	277.280	1.589	10	20	CDCD	
COC(=O)C[C@]1(NCc2cc(C)ccc2O)CCCOC1	770675610	PAKYLJAIYAZUTM-MRXNPFEDSA-N	293.363	1.903	10	20	CDCD	
Cn1ccc(CNC(=O)/C=C/c2ccc(O)c(O)c2)c1	779531103	MQDSJHZFOVAGHD-HWKANZROSA-N	272.304	1.766	10	20	CDCD	
CCN(CC(=O)NC)Cc1ccc(N(C)CC)cc1	773746630	MULHSGYUFCOAJQ-UHFFFAOYSA-N	263.385	1.711	10	20	CDCD	
C[C@H](NC(=O)N1CCOCC1)c1ccc(N(C)C)cc1	773090568	YMNZMAFUNCIXCC-LBPRGKRZSA-N	277.368	1.855	10	20	CDCD	
CC[C@]1(O)CCN(C(=O)c2ccc(C)c(O)c2O)C1	779343269	RCWPGBZHYAOMKL-AWEZNQCLSA-N	265.309	1.393	10	20	CDCD	
CN(C)c1ccc(Cn2cc(C[C@@H](O)C3CC3)nn2)cc1	881272131	NLJMCARUXPXHQA-MRXNPFEDSA-N	286.379	1.706	10	20	CDCD	
Cc1cnn(CCC(=O)NCc2ccc(N)cc2)c1	1122444793	HRWHGKHTVJXLSI-UHFFFAOYSA-N	258.325	1.480	10	20	CDCD	
Cc1ccc(C(=O)NC[C@H]2CCN(C(C)C)C2)c(O)c1O	780916296	VCRMYRKNITVTON-GFCCVEGCSA-N	292.379	1.866	10	20	CDCD	
O=C(Nc1nnc2n1CCCC2)c1cc(O)cs1	780793566	QGBXBYWTASAKSL-UHFFFAOYSA-N	264.310	1.634	10	20	CDCD	
Oc1c(F)cc(F)cc1CN1CCOC[C@@H]1c1ncon1	894428987	JWENTTKUGGOKLK-LLVKDONJSA-N	297.261	1.627	10	20	CDCD	
CC(C)OC[C@@H](CO)N(C)Cc1ccc(N(C)C)cc1	785829738	AGETWKXHCVHKEU-MRXNPFEDSA-N	280.412	1.970	10	20	CDCD	
COc1cc(C)cc(CN(C)CCN2CCCC2=O)c1O	894017933	SZNKAGSDFCJDSD-UHFFFAOYSA-N	292.379	1.763	10	20	CDCD	
C[C@H]1CN(Cc2ccc(N(C)C)c(F)c2)C[C@H]1O	897684230	LKFJZRRRAGGMSV-IINYFYTJSA-N	252.333	1.704	10	20	CDCD	
COc1ccc(CNC(=O)[C@H](C)c2cnn(C)c2)c(O)c1	794377617	RDAIUCHGDBQLOG-SNVBAGLBSA-N	289.335	1.554	10	20	CDCD	
CCOc1ccc(CN[C@H](CO)CCOC)c(O)c1	798505721	UXLWRHFBGDEUHN-LBPRGKRZSA-N	269.341	1.278	10	20	CDCD	
CN(CC(=O)NCC(F)(F)F)Cc1ccccc1O	109770847	JKBYGRJPRRXISL-UHFFFAOYSA-N	276.258	1.503	10	20	CDCD	
CCOc1ccc(N2CCN(C(=O)[C@@H](C)OC)CC2)cc1	1320024053	SDRMWJNHQMEBGK-CYBMUJFWSA-N	292.379	1.769	10	20	CDCD	
COC(=O)NC1CN(Cc2cc(Cl)c(F)cc2O)C1	1328219126	FBTNRXBUDUKHDE-UHFFFAOYSA-N	288.706	1.725	10	20	CDCD	
CSCCCn1nnnc1N(C)Cc1ccccc1O	1333685310	IACLTIILFJRSST-UHFFFAOYSA-N	293.396	1.768	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)C[C@@H]1COC(=O)C1	1340590309	OYSKFHFCBPLVFJ-JTQLQIEISA-N	263.293	1.304	10	20	CDCD	
COc1cccc(CNCCCn2ccnc2)c1O	20506272	OIUZTMVUWZFFAY-UHFFFAOYSA-N	261.325	1.777	10	20	CDCD	
C[C@H](C(=O)O)C(=O)NCc1cc(Cl)ccc1O	1588573342	CPRIBFXVFYZPQM-LURJTMIESA-N	257.673	1.383	10	20	CDCD	
C[C@@H](O)CCN[C@H](C)c1cc(C(=O)O)ccc1O	1593273627	FNRGETQZSYMGSD-RKDXNWHRSA-N	253.298	1.512	10	20	CDCD	
COCCC[C@@H](NCc1cc(F)cc(F)c1O)C(=O)O	1777203430	QSGLVGHGLJWYDV-LLVKDONJSA-N	289.278	1.640	10	20	CDCD	
CO[C@H](CNCc1ccc2c(c1)CCCO2)C(=O)O	1777148742	JVBXNGPLWWLWQY-CYBMUJFWSA-N	265.309	1.201	10	20	CDCD	
C[C@H]1C[C@H](C(=O)NCCc2ccc(N)cc2)CCO1	818545156	MCPOOWUOZOTRST-WCQYABFASA-N	262.353	1.743	10	20	CDCD	
CC[C@@H](NC(C)=O)C(=O)N[C@H](C)c1ccccc1O	827955650	BXOMPMXTXFARAW-BXKDBHETSA-N	264.325	1.484	10	20	CDCD	
C[C@@H](CN1CCCCC1)NC(=O)c1cccc(O)c1O	126309687	JUPSRSGBGJQDHD-NSHDSACASA-N	278.352	1.702	10	20	CDCD	
O=C(N[C@@H](CO)c1ccccc1)c1cccc(O)c1O	126619642	GRSZXTZYCQPRII-LBPRGKRZSA-N	273.288	1.561	10	20	CDCD	
Oc1c(Cl)cccc1CNC[C@@H]1CN2CCC[C@H]2CO1	252738624	FONGDJPMYXISOB-QWHCGFSZSA-N	296.798	1.998	10	20	CDCD	
CO[C@@]1(CN[C@@H]2CCc3cccc(O)c32)CCOC1	389169748	HUYGDZLWJXOFBT-IUODEOHRSA-N	263.337	1.775	10	20	CDCD	
CCOc1cccc(CNC2([C@@H](C)O)CC2)c1O	827580155	QGHCKWVVFBHWNE-SNVBAGLBSA-N	251.326	1.794	10	20	CDCD	
CCn1cc(NC(=O)NCc2cccc(OC)c2O)cn1	57881842	PRBGREKAVVGRKU-UHFFFAOYSA-N	290.323	1.939	10	20	CDCD	
C[C@@H]1COCCN1Cc1cc2c(cc1O)OCO2	25480333	AMWOYOQKEAWDCG-SECBINFHSA-N	251.282	1.342	10	20	CDCD	
CN(Cc1nnnn1C1CC1)c1ccc2c(c1)OCO2	121282108	RNKOOVZXGUONPD-UHFFFAOYSA-N	273.296	1.373	10	20	CDCD	
O=C(CNCc1cc(Cl)ccc1O)NC1CC1	36782431	GAEIUAKWLQVVCK-UHFFFAOYSA-N	254.717	1.414	10	20	CDCD	
COc1cc(N(C)CC(=O)NC2CC2)cc(OC)c1OC	125766810	ZGNAHKNVJUBSQC-UHFFFAOYSA-N	294.351	1.427	10	20	CDCD	
COc1ccc(CN(C)Cc2ccccc2O)nn1	283032731	HUKNTRYLZIRFGT-UHFFFAOYSA-N	259.309	1.823	10	20	CDCD	
COC[C@H](O)CN[C@H](C)c1ccc(N(C)C)cc1	71267958	CQSPSABOYXBIHX-BXUZGUMPSA-N	252.358	1.411	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H]2C[C@H](O)C2(C)C)c(O)c1O	190590285	IXEQGFHEWLUUFR-ZJUUUORDSA-N	265.309	1.295	10	20	CDCD	
NC(=O)c1cccc(NCc2cc3c(cc2O)OCO3)c1	42879432	HVXJPSNDUWUSEA-UHFFFAOYSA-N	286.287	1.832	10	20	CDCD	
C[C@H](N)[C@@H]1CCCN(C(=O)Cc2ccc(N)cc2)C1	237470056	JREKUJULAVBIBA-WCQYABFASA-N	261.369	1.397	10	20	CDCD	
CCOc1cccc(CN[C@]2(CO)CCOC2)c1O	184190266	AKEZPFXIMGSHQO-AWEZNQCLSA-N	267.325	1.032	10	20	CDCD	
CCOCCO[C@H](C)C(=O)NCc1ccc(O)c(O)c1	269101533	PFUJONIPYWBNSW-SNVBAGLBSA-N	283.324	1.156	10	20	CDCD	
CC1CCN(CC(=O)NCc2ccccc2O)CC1	269100160	FYFSAFXFWSSQLF-UHFFFAOYSA-N	262.353	1.740	10	20	CDCD	
CN1CC[C@H](N(C)Cc2ccc(N(C)C)c(F)c2)C1=O	271206596	SEACXKBZSMCWBG-AWEZNQCLSA-N	279.359	1.554	10	20	CDCD	
C[C@H]1COCCN1C(=O)/C=C/c1ccc(O)c(O)c1	272445734	MYLVEIPYIQFJPQ-GFAPAMAISA-N	263.293	1.358	10	20	CDCD	
CC(C)C[C@@H]1C(=O)NCCN1C(=O)c1cccc(O)c1O	276019986	QSASODTUWDHGNJ-LLVKDONJSA-N	292.335	1.085	10	20	CDCD	
CO[C@H]1CN(Cc2ccc(N(C)C)cc2)C[C@H]1OC	277215040	KQDXLUVYRRWZGB-GASCZTMLSA-N	264.369	1.598	10	20	CDCD	
COC[C@@H](CN[C@H](C)c1ccc(F)c(F)c1O)OC	276916070	LQYIRUMNELVJOQ-RKDXNWHRSA-N	275.295	1.982	10	20	CDCD	
O=C1NCCN1[C@@H]1CCCN(Cc2cc(F)ccc2O)C1	378501563	TUEQBOYSMCSZET-CYBMUJFWSA-N	293.342	1.521	10	20	CDCD	
C[C@]1(NCc2cccc(Cl)c2O)CCOC1=O	290822836	GZNOAUIODSLDKK-LBPRGKRZSA-N	255.701	1.841	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)C(C)(C)CN	566917315	HZILIWBPGNLNGB-UHFFFAOYSA-N	277.368	1.463	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CCO[C@@H]2C[C@H]21	816900414	NNFWNCLDRSARBV-WQLMKKEISA-N	261.277	1.111	10	20	CDCD	
CN(C)c1ccc([C@H](N)CN[C@H]2CCCC[C@H]2CN)cc1	817939797	CDCYIEKGSPRWFD-UAGQMJEPSA-N	290.455	1.860	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N2CCO[C@@H]3C[C@@H]32)cc1	813560725	LDODGNSFGVYTIF-UONOGXRCSA-N	275.352	1.435	10	20	CDCD	
COC[C@@H](C)[C@H](C)C(=O)NCc1ccccc1O	812489739	BUNQZSZMSUPMCM-MNOVXSKESA-N	251.326	1.927	10	20	CDCD	
C[C@@H](Cn1cccn1)NC(=O)c1cc(O)cs1	732271334	HCTLPQCQZXNEDG-QMMMGPOBSA-N	251.311	1.469	10	20	CDCD	
COc1ccc(N2CCN(C(=O)C[C@H](C)N)CC2)cc1F	831143262	MDHDSACVHRMCEE-NSHDSACASA-N	295.358	1.220	10	20	CDCD	
NC1(CNCc2ccc(N3CCOCC3)c(F)c2)CC1	904449783	NCGNCACLRBCDPA-UHFFFAOYSA-N	279.359	1.243	10	20	CDCD	
Nc1ccc(CCNC(=O)NCCOCCF)cc1	831103120	FSOAWVPONLAQBC-UHFFFAOYSA-N	269.320	1.097	10	20	CDCD	
CCc1cccc(CNCC2([S@](C)=O)CC2)c1O	691450877	ZWELCPBFWBJMRE-SFHVURJKSA-N	267.394	1.955	10	20	CDCD	
COC[C@H](CNCc1ccc(N(C)C)cc1C)OC	840937194	PNSZTGPNBSNVSF-HNNXBMFYSA-N	266.385	1.812	10	20	CDCD	
CC[C@@H](COC)NC[C@@H](N)c1ccc(N(C)C)cc1	841046160	XEJUNLUIWXTUBC-DZGCQCFKSA-N	265.401	1.767	10	20	CDCD	
COCCCOCC(=O)NCc1cc(Cl)ccc1O	846474309	UJPWMZCBIMMVSR-UHFFFAOYSA-N	287.743	1.715	10	20	CDCD	
C[C@@H](NCC(=O)N1CCOCC1)c1ccc(Cl)cc1O	841751424	MVQQSJWOWVZOHB-SNVBAGLBSA-N	298.770	1.555	10	20	CDCD	
COC[C@]1(C)CCN(Cc2cc3c(cc2O)OC[C@@H]3O)C1	840103988	JBGBAZJXCSLYTJ-GOEBONIOSA-N	293.363	1.676	10	20	CDCD	
CN[C@@H](CC(C)(C)C)C(=O)NCCc1ccc(N)cc1	841848150	XPVCXSNLDRMZDI-AWEZNQCLSA-N	277.412	1.952	10	20	CDCD	
CC[C@H](CNC(=O)NCCc1ccc(N)cc1)OC	841915718	XRZYBIPYQUPRSE-CYBMUJFWSA-N	265.357	1.536	10	20	CDCD	
COC(=O)[C@H]1CCCN1C(=O)/C=C\c1ccc(O)c(O)c1	928602995	GMQASLOKNMUCMZ-JPVGGKMYSA-N	291.303	1.275	10	20	CDCD	
Nc1ccc(Cc2noc([C@@H]3CC(=O)N(C4CC4)C3)n2)cc1	843158970	JOPWSBJKPUJMPU-LLVKDONJSA-N	298.346	1.721	10	20	CDCD	
C[C@@H](CO)C1CCN(Cc2cc3c(cc2O)OCO3)CC1	846056853	BLSWWFDCWBVJRH-NSHDSACASA-N	293.363	1.961	10	20	CDCD	
C[C@@H](Cn1cccn1)NC[C@@H](N)c1ccc(N(C)C)cc1	841045179	JAVQCRHSFDYDCT-XJKSGUPXSA-N	287.411	1.627	10	20	CDCD	
COc1ccc(N(C)CC(=O)NCc2cccnc2)cc1	844353489	PPDXKYZNBRSPDW-UHFFFAOYSA-N	285.347	1.843	10	20	CDCD	
C[C@@H]1[C@@H](C)N(C(=O)Nc2ccc(N)cc2)CCN1C	841295565	BLIOIMWMZDDLHD-GHMZBOCLSA-N	262.357	1.825	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)NCCN1CCC1	752670711	PKFDVLOMQPPGPU-UHFFFAOYSA-N	290.411	1.566	10	20	CDCD	
CCN(CC)CCOCCNCc1cc(F)ccc1O	757945866	IQYGTLUTHYLBAR-UHFFFAOYSA-N	284.375	1.979	10	20	CDCD	
CC1CC(CNC(=O)C(=O)Nc2ccc(N)cc2)C1	857098604	IHRVHXVWFILNIM-UHFFFAOYSA-N	261.325	1.370	10	20	CDCD	
COC[C@@H]1COCCN1Cc1cc(F)cc(C(C)=O)c1O	933338450	ZMUPTBBERGFGBG-CYBMUJFWSA-N	297.326	1.581	10	20	CDCD	
COC(=O)C[C@@]1(NCc2cc(F)ccc2O)CCOC1	768533221	JEDOHCLQWXBXKT-AWEZNQCLSA-N	283.299	1.343	10	20	CDCD	
CC(C)(C)[C@H](NC(=O)c1cc(O)cs1)C(N)=O	769229373	CCIPIIRSRWMMIV-MRVPVSSYSA-N	256.327	1.084	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)NCCc1ccn(C)n1	761011072	NKCMCUJOEPXXJD-UHFFFAOYSA-N	288.351	1.510	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CN(C)C2CCC2)cc1F	863862424	RQYNOXSBYVEGLY-UHFFFAOYSA-N	293.386	1.992	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)Cn2cc(C3CC3)nn2)c1	1118947073	NAXXEVYYEVSAPL-UHFFFAOYSA-N	286.335	1.486	10	20	CDCD	
COC(=O)C[C@@H]1COCCN1Cc1ccc(C)cc1O	877530122	QXQICMIWMGBKJN-CYBMUJFWSA-N	279.336	1.465	10	20	CDCD	
N[C@]1(C(=O)NCc2ccc(N3CCCC3)cc2)CC1(F)F	870866338	ZEFZNQCPUQFXMG-AWEZNQCLSA-N	295.333	1.640	10	20	CDCD	
COC[C@H](C)OC[C@@H](O)CN[C@H](C)c1ccccc1O	879649529	VOWBOJSYVOWSCJ-XQQFMLRXSA-N	283.368	1.455	10	20	CDCD	
Cc1ccc(CN2CC[C@H]3NC(=O)CC[C@H]3C2)c(O)c1	877628486	IKZQDPSNUFPMKU-GXTWGEPZSA-N	274.364	1.801	10	20	CDCD	
COc1cccc(C(=O)NCc2ccc(O)c(O)c2)n1	778927060	JPXLOZMEMANBPD-UHFFFAOYSA-N	274.276	1.431	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CCN(C)C1=O	773022337	SWKRYMVDEJIGPS-AWEZNQCLSA-N	289.379	1.156	10	20	CDCD	
C[C@H](NC[C@H](C)S(C)(=O)=O)c1c(O)cccc1F	886555339	PVQDDSZDQQUZJT-IUCAKERBSA-N	275.345	1.615	10	20	CDCD	
CSC[C@@H](O)Cn1cc(COc2ccc(N)cc2)nn1	881419865	SHYDNBPUZXWSGG-LBPRGKRZSA-N	294.380	1.163	10	20	CDCD	
COc1ccc(CNC(=O)NCCC(C)(C)N)c(O)c1	892852940	FNWCSMJFBXAFDK-UHFFFAOYSA-N	281.356	1.327	10	20	CDCD	
C[C@]1(CO)C[C@@H](O)CN1Cc1cc(Cl)ccc1O	895329336	JEYBUOOTQXQHAS-DGCLKSJQSA-N	271.744	1.363	10	20	CDCD	
Nc1ccc(CCNC(=O)N2C[C@H]3[C@@H](O)CC[C@H]3C2)cc1	892038479	GMEGLVVFPLGCMZ-CFVMTHIKSA-N	289.379	1.224	10	20	CDCD	
CCc1cc(O)ccc1NS(=O)(=O)N1CC[C@@H](C)C1	790415248	CCTDFUYUKFLPMV-SNVBAGLBSA-N	284.381	1.953	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2n[nH]cc2C)c1	799697781	JLIKMMGAFPBZFG-UHFFFAOYSA-N	261.281	1.362	10	20	CDCD	
COc1ccc(CNc2cc(-n3ccnc3)ncn2)c(O)c1	795289028	FXGJKJVOKBQTAF-UHFFFAOYSA-N	297.318	1.989	10	20	CDCD	
COc1ccc(O)c(CN2CCN(C)CC2(C)C)c1	271874402	SRSOJTMICMIRSO-UHFFFAOYSA-N	264.369	1.927	10	20	CDCD	
Cc1ccc(O)c(CNS(=O)(=O)N(C)[C@@H](C)C2CC2)c1	1328770974	VNFVAMAJDWWJKG-NSHDSACASA-N	298.408	1.765	10	20	CDCD	
C[C@H]1COCCN1CCN[C@H](C)c1c(O)cccc1F	1332365970	SLGSZYMRUDJTJO-NWDGAFQWSA-N	282.359	1.903	10	20	CDCD	
CCN(CC)c1ccc(CNCC[C@H](O)C(=O)O)cc1	1332485650	FAZXFPXZAKSFEB-AWEZNQCLSA-N	280.368	1.458	10	20	CDCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H](O)CN	1521560887	JJYMTXNRRWNJOV-OAHLLOKOSA-N	293.411	1.199	10	20	CDCD	
Cn1ccnc1C(=O)CSc1ncc(C(=O)O)s1	1600981805	YWXROCFSITVAJN-UHFFFAOYSA-N	283.334	1.550	10	20	CDCD	
CC(C)C[C@]1(C(=O)Oc2ccc(N)cc2)CCNC1=O	1575548912	DMVULHCQNAAYGW-OAHLLOKOSA-N	276.336	1.727	10	20	CDCD	
CO[C@H](C)CN[C@@H](C)c1cc(C(=O)O)ccc1O	1599325397	YBCVRIBCIZRDIP-BDAKNGLRSA-N	253.298	1.776	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H](C)C(=O)O	1590345752	GBOKWMXVIIHWNX-MRVPVSSYSA-N	272.297	1.215	10	20	CDCD	
O=S(=O)(NCc1ccccc1O)N1CCCCC1	158572659	MFIKGXFTHVRUEI-UHFFFAOYSA-N	270.354	1.213	10	20	CDCD	
C[C@H]1CC(=O)CC[C@H]1C(=O)NCCc1ccc(O)c(O)c1	159828139	RYVRBVCWFWYCOM-GXFFZTMASA-N	291.347	1.762	10	20	CDCD	
C[C@H]1CCCN(C(=O)Cc2ccc(N)cc2)[C@@H]1CCN	846692367	ANSPMBAVWIVGII-SWLSCSKDSA-N	275.396	1.787	10	20	CDCD	
CCc1cccc(CNCC2CCS(=O)(=O)CC2)c1O	848900915	QVBOFFOSNLNQDK-UHFFFAOYSA-N	297.420	1.869	10	20	CDCD	
C[C@@H](O)C[C@@H](C)NCc1ccc(N2CCOCC2)cc1	228067958	PDOQTSNHYNCBNU-ZIAGYGMSSA-N	278.396	1.772	10	20	CDCD	
CCCN(CC(=O)OCC)C(=O)c1cccc(O)c1O	126340645	YCNRQRGJODMJQW-UHFFFAOYSA-N	281.308	1.513	10	20	CDCD	
C[C@H]1CN(Cc2cc3c(cc2O)OCO3)[C@@H](C)CO1	26665270	UHMUUJWNHPGDQI-UWVGGRQHSA-N	265.309	1.730	10	20	CDCD	
CCOc1cccc(CN(C)CCS(C)(=O)=O)c1O	156087067	YVNVFVWMTYAJBD-UHFFFAOYSA-N	287.381	1.267	10	20	CDCD	
NC[C@H](NC(=O)Cc1ccc(N)cc1)C1CCCCC1	262591133	CKPCBRPJCOAPBY-HNNXBMFYSA-N	275.396	1.835	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC[C@@H]2COCCO2)c1	38060297	REUJDEVGAMGEQX-ZYHUDNBSSA-N	267.325	1.467	10	20	CDCD	
COC[C@](C)(O)CN[C@@H](C)c1cc(C)ccc1O	394590196	IDZKMTRLWNKBOY-SMDDNHRTSA-N	253.342	1.749	10	20	CDCD	
O=C(N[C@H]1CC[C@H](O)CC1)c1cccc(O)c1O	249511949	NXIFZDBIOKELDO-KYZUINATSA-N	251.282	1.131	10	20	CDCD	
O=C(Nc1ccc(-n2nccn2)cc1)c1cccc(O)c1O	188293788	BDBQZSFCVJJHAQ-UHFFFAOYSA-N	296.286	1.931	10	20	CDCD	
CC[C@H](NC[C@@H]1COCCO1)c1ccccc1O	38060222	VOUZJJOSIHZPBA-YPMHNXCESA-N	251.326	1.848	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc2nncn2c1	181306532	KSHDORNCFUYTDN-QHHAFSJGSA-N	296.286	1.792	10	20	CDCD	
COc1cccc(CNC(=O)NC[C@@]2(C)CCCO2)c1O	133274906	HSBGMYSOWZQYHB-OAHLLOKOSA-N	294.351	1.769	10	20	CDCD	
Cc1ccc(C(=O)Nc2ccc(=O)n(C)c2)c(O)c1O	182158570	LGDHHMHGLRUCLH-UHFFFAOYSA-N	274.276	1.357	10	20	CDCD	
CN(Cc1cc(Cl)ccc1O)[C@@H]1CCS(=O)(=O)C1	132400565	MRFYOCBEOBIXPY-LLVKDONJSA-N	289.784	1.665	10	20	CDCD	
CC(C)OCCS(=O)(=O)Nc1ccc(O)cc1	93666425	VXKQCLSBJILSPN-UHFFFAOYSA-N	259.327	1.559	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2C[C@@H](CO)O[C@H](C)C2)c1O	248881410	WYPNGWGCWSTBNT-RNCFNFMXSA-N	297.326	1.316	10	20	CDCD	
COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(C)c(O)c1O	267568585	IDRJHZUUDNKKNX-NSHDSACASA-N	295.335	1.724	10	20	CDCD	
Cc1nc(C(C)(C)NCc2cc3c(cc2O)OCO3)no1	264360038	GAWBJAHTNRXCLM-UHFFFAOYSA-N	291.307	1.837	10	20	CDCD	
CCOc1cccc(CN[C@@H]2CCN(CCOC)C2)c1O	264647397	WMLUWIMLXSDQHD-CQSZACIVSA-N	294.395	1.601	10	20	CDCD	
COc1cccc(CNC(=O)[C@H](C)n2cccn2)c1O	264252104	GVIRYXILDSHXBP-JTQLQIEISA-N	275.308	1.475	10	20	CDCD	
COC(=O)C(C)(C)CNC(=O)/C=C/c1ccc(O)c(O)c1	272439955	MJPNKMDFRDHXBU-FNORWQNLSA-N	293.319	1.426	10	20	CDCD	
CC(C)OCC(=O)N[C@H](C)Cc1ccc(O)c(O)c1	274929108	NDYCEKPSSDEESB-SNVBAGLBSA-N	267.325	1.570	10	20	CDCD	
COC[C@@H](O)CCN[C@H](C)c1cc(C(=O)OC)ccc1O	273511690	RVMFXXRQHIMZSU-PWSUYJOCSA-N	297.351	1.227	10	20	CDCD	
CN(C)c1ccc(CN2CC[C@H](CC(N)=O)C2)cc1F	377847930	RNSFWLQNYALKCM-GFCCVEGCSA-N	279.359	1.589	10	20	CDCD	
COC[C@H](NCc1cccc(OC)c1O)[C@H]1CCCO1	278726650	UAZWACWRSIFOQN-QWHCGFSZSA-N	281.352	1.684	10	20	CDCD	
COCCO[C@@H]1C[C@H](CO)CN(Cc2ccccc2O)C1	278707115	OHUYZHIQRQCOMO-DZGCQCFKSA-N	295.379	1.238	10	20	CDCD	
COC(=O)C[C@@H](C)CC(=O)NCc1ccc(N(C)C)cc1	288029632	AJSPZCPRIAZSFW-LBPRGKRZSA-N	292.379	1.958	10	20	CDCD	
COCC[C@H](CO)N[C@H](C)c1ccc(F)c(F)c1O	281588255	LNJOEXBTJINCIJ-RKDXNWHRSA-N	275.295	1.718	10	20	CDCD	
Cc1nnc(CCNCc2cc([N+](=O)[O-])ccc2O)s1	289988214	XJGFIBIBUXUJHG-UHFFFAOYSA-N	294.336	1.793	10	20	CDCD	
C[C@@H]1C[C@H](NC(=O)c2c(F)ccc(O)c2O)CCO1	297641981	XWGHSVLQWBQSPU-HTQZYQBOSA-N	269.272	1.534	10	20	CDCD	
CC(=O)C(=O)COC(=O)c1ccc([N+](=O)[O-])c(C)c1	808488051	MKTSSGYWXWZCQZ-UHFFFAOYSA-N	265.221	1.218	10	20	CDCD	
CC(=O)c1cc(Cl)cc(CN2C[C@H]3C[C@H]2C(=O)O3)c1O	295255912	QVZGLOYTGVGIGQ-PWSUYJOCSA-N	295.722	1.748	10	20	CDCD	
C[C@@H]1CN(C(=O)c2cc(O)cs2)C[C@@H](C)S1(=O)=O	812373360	UJGKVUILEIASHW-HTQZYQBOSA-N	289.378	1.101	10	20	CDCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC[C@@H](C)O	819374544	FYVXOZNZUMJUBR-QWHCGFSZSA-N	250.386	1.962	10	20	CDCD	
Cc1cc(CN2CC[C@@H](CO)[C@H](O)C2)ccc1N(C)C	815101180	PQIWKEVBVOMYGM-GOEBONIOSA-N	278.396	1.236	10	20	CDCD	
CC[C@@H](CS(=O)(=O)Nc1ccc(O)c(OC)c1)OC	817356573	PHMNRYUDMJSVNB-JTQLQIEISA-N	289.353	1.568	10	20	CDCD	
NCC1(C(=O)NCCc2ccc(N)cc2)CCCC1	818545034	BTBFKJBMMKXATM-UHFFFAOYSA-N	261.369	1.447	10	20	CDCD	
CN(C)c1ccc(CN2C[C@H](CO)OC(C)(C)C2)cc1	817280050	XVMYVJGWCTYHHV-OAHLLOKOSA-N	278.396	1.724	10	20	CDCD	
CCN(CCNC(=O)c1cc(O)cs1)C1CC1	732282071	JHBBFALNGQZRRU-UHFFFAOYSA-N	254.355	1.668	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)N[C@H]1CCN(C2CC2)C1	734285173	HIPVVMRFTMWQLW-ZDUSSCGKSA-N	289.379	1.770	10	20	CDCD	
COc1cccc(CN2CC[C@](F)(C(=O)O)C2)c1O	833735034	AUUWWEHZUVSKSR-CYBMUJFWSA-N	269.272	1.399	10	20	CDCD	
C[C@@H](OC(=O)c1cc(O)cs1)C(=O)NC[C@H]1CCCO1	734190405	WJPBSIGINMNUON-PSASIEDQSA-N	299.348	1.294	10	20	CDCD	
CN(C[C@@H]1CCOC1)c1ccc(OCC(=O)O)cc1	833693377	VMGKQHDOECWQLI-NSHDSACASA-N	265.309	1.623	10	20	CDCD	
Cc1cc(N)nc(SCC(=O)c2ccc(O)c(O)c2)n1	913593412	LVDOREQEJZEUSH-UHFFFAOYSA-N	291.332	1.753	10	20	CDCD	
CC[C@@H]1C(=O)NCCN1Cc1ccc(N(C)C)cc1C	840914127	PDNCOQWVLBZDCG-OAHLLOKOSA-N	275.396	1.771	10	20	CDCD	
C[C@H](CN)NC(=O)NCCCSc1nccs1	841855545	AXTNBDGAFWOXPH-MRVPVSSYSA-N	274.415	1.272	10	20	CDCD	
OC[C@@H]1CN(Cc2cc(Cl)ccc2O)CC[C@H]1O	840975179	MDWWUYHRVGHJKJ-GXFFZTMASA-N	271.744	1.221	10	20	CDCD	
CNC[C@@H]1C[C@H](F)CN1Cc1cc2c(cc1O)OCO2	843121756	KTWBLMUJQXQHGX-QWRGUYRKSA-N	282.315	1.253	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N2CCO[C@H](CF)C2)cc1	840244443	NFMHVXQMYZNSJW-CQSZACIVSA-N	295.358	1.633	10	20	CDCD	
O=C(O)CN(Cc1cccc(F)c1O)CC1CC1	844937299	STXXFKWXHTYLIR-UHFFFAOYSA-N	253.273	1.828	10	20	CDCD	
C[C@H](NC(=O)NCCc1ccc(N)cc1)[C@@H]1CCCNC1	841929617	WRZGDNXDPKTZHL-GXTWGEPZSA-N	290.411	1.499	10	20	CDCD	
Nc1ccc(CCNC(=O)N2C[C@@H]3[C@H](C2)C3(F)F)cc1	846172350	LKUYCVSHKRVEIV-TXEJJXNPSA-N	281.306	1.718	10	20	CDCD	
Oc1cc2c(cc1CN1CC[C@@]3(CCOC3)C1)[C@@H](O)CO2	768463076	FWSXLVYIZYCDGO-GOEBONIOSA-N	291.347	1.430	10	20	CDCD	
C[C@@H](NS(=O)(=O)C[C@H]1CCCCO1)c1ccccc1O	867834544	QKKLLODSJWYNOP-VXGBXAGGSA-N	299.392	1.942	10	20	CDCD	
CC[C@H](NC[C@@]1(O)CCN(C)C1)c1ccc(N(C)C)cc1	762790185	XZZJBQCTCSUADW-IRXDYDNUSA-N	291.439	1.860	10	20	CDCD	
CN1CCN(c2ccc(CNCc3ncc[nH]3)cc2)CC1	877672450	FGGLYMDWIMEECL-UHFFFAOYSA-N	285.395	1.451	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)C(=O)N1CCC=C(F)C1	1117913824	MKAXJGZJMLOXDP-UHFFFAOYSA-N	292.310	1.436	10	20	CDCD	
CC(C)CN1CCN(C(=O)c2cc(O)cs2)[C@@H](C)C1=O	779468721	FZXRKEBUTSWZTH-JTQLQIEISA-N	296.392	1.783	10	20	CDCD	
CNC(=O)[C@]1(C)CCN(Cc2c(C)cccc2O)C1	877494625	MQDRJUWEJGVNNT-OAHLLOKOSA-N	262.353	1.659	10	20	CDCD	
O=C(O)CN(Cc1ccccc1O)C(=O)CC1CC1	1119589977	FTXUADKGVZVGNR-UHFFFAOYSA-N	263.293	1.606	10	20	CDCD	
Cc1ccc(CN2C[C@@H](N3CCOCC3)C[C@@H]2C)c(O)c1	877515979	AICAPHZSZHEQCR-HOCLYGCPSA-N	290.407	1.996	10	20	CDCD	
Cc1ccc(C(=O)NCCc2ccncc2)c(O)c1O	780904224	OJDLPFJSDGXVBT-UHFFFAOYSA-N	272.304	1.774	10	20	CDCD	
CC(=O)OC[C@H](C)NCc1ccc(N(C)C)cc1	892475447	HVTMKJVCOYBESW-NSHDSACASA-N	250.342	1.794	10	20	CDCD	
CCOc1ccc(O)c(CN2C[C@@H](O)C[C@H]2C)c1	788269437	NRFLFQBXIVWNQJ-PWSUYJOCSA-N	251.326	1.746	10	20	CDCD	
C[C@H](N[C@@H](C)[C@H]1CN(C)CCO1)c1ccccc1O	783518216	KBIQTDFWIBNHSG-SLEUVZQESA-N	264.369	1.762	10	20	CDCD	
COc1ccc(CNCCN(C)C(C)C)c(O)c1OC	892785521	GOLDUVBSNGPBIT-UHFFFAOYSA-N	282.384	1.839	10	20	CDCD	
Cc1cnc(COCC(=O)N(C)Cc2ccccc2O)o1	797188595	HGMUFACBQNHIMW-UHFFFAOYSA-N	290.319	1.864	10	20	CDCD	
CN(C)[C@@]1(CNC(=O)c2cccc(O)c2O)CCSC1	790855311	LDZGLTQMJQLFLT-CQSZACIVSA-N	296.392	1.265	10	20	CDCD	
COc1ccc(CNC(=S)NC[C@@H]2CCOC2)c(O)c1	795032624	VVVZOICLQZSOLL-JTQLQIEISA-N	296.392	1.401	10	20	CDCD	
COc1cccc(O)c1CNCC[C@@H](C)N(C)C	895299024	FREPZPKGVZJQEE-LLVKDONJSA-N	252.358	1.831	10	20	CDCD	
C[C@H](NCCS(C)(=O)=O)c1ccc(N(C)C)cc1	37740852	IXDPEYQQOXMKQB-NSHDSACASA-N	270.398	1.448	10	20	CDCD	
CCOc1ccc(N2CCN(CC3OCCO3)CC2)cc1	1319877267	LTYVKSVJPNXOOZ-UHFFFAOYSA-N	292.379	1.580	10	20	CDCD	
CC[C@@](C)(CO)NCc1ccc(N2CCOCC2)cc1	77111460	HEALFVJXLYAHHC-INIZCTEOSA-N	278.396	1.774	10	20	CDCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NC[C@@]1(O)CCN(C)C1	1320514175	OSSWJTQQXMPPEV-IGCXYCKISA-N	290.407	1.905	10	20	CDCD	
C[C@@H]1CCC[C@H]1NC(=O)C(=O)N(C)Cc1ccccc1O	1328664269	XYSZJEPYFIWXSZ-DGCLKSJQSA-N	290.363	1.655	10	20	CDCD	
CN(C)c1ccc(CNc2nccc(CO)n2)cc1	767165360	UTPUXZVOWRRHAU-UHFFFAOYSA-N	258.325	1.647	10	20	CDCD	
O=C(NCCOC[C@H]1CCCO1)c1cccc(O)c1O	790721855	ZXGITARUWRQCHF-SNVBAGLBSA-N	281.308	1.023	10	20	CDCD	
CC(=O)c1cc(F)cc(CN(C)C2(CO)CC2)c1O	796501892	FPQPKLTWXKCGOK-UHFFFAOYSA-N	267.300	1.691	10	20	CDCD	
COc1ccc(N2CC[C@H](CNC(=O)[C@@H]3C[C@H]3F)C2)cc1	1518262819	MXCDHMVYWPVUTR-KCPJHIHWSA-N	292.354	1.996	10	20	CDCD	
Cn1ccnc1CCC(=O)NCCc1ccc(O)c(O)c1	1528036334	GCHVDUDCNBHRSF-UHFFFAOYSA-N	289.335	1.123	10	20	CDCD	
C[C@H]1CCN(C(=O)c2c(F)ccc(O)c2O)C[C@@H]1C(=O)O	1589348039	LJRRZKXFFNTHQP-YUMQZZPRSA-N	297.282	1.420	10	20	CDCD	
Cn1nccc1[C@H](NCc1ccc(Cl)cc1O)C(=O)O	1594594983	KBTOUQANJHJFPG-LBPRGKRZSA-N	295.726	1.695	10	20	CDCD	
CCNS(=O)(=O)CCNCc1ccc2c(c1)CCCO2	921716140	KRGCMQIQOFDBEM-UHFFFAOYSA-N	298.408	1.041	10	20	CDCD	
CCc1cccc(CN[C@@H](C)CCS(C)(=O)=O)c1O	848898724	GMQHWLVFYBVPTK-NSHDSACASA-N	285.409	1.867	10	20	CDCD	
Cc1cccc(O)c1CN[C@@H]1CCS(=O)(=O)[C@@H]1C	877656315	DUDKKLZCYIQTJW-ZYHUDNBSSA-N	269.366	1.366	10	20	CDCD	
CCCOCC(=O)NCc1ccc(N(C)C)c(F)c1	58734156	UVCGMCNDXVAYJW-UHFFFAOYSA-N	268.332	1.935	10	20	CDCD	
C[C@H](CO)N(C)C(=O)NCc1ccc(N2CCCC2)cc1	179313306	NICNGVPAXKYEHL-CYBMUJFWSA-N	291.395	1.809	10	20	CDCD	
COCCNCC(=O)NCc1ccc(N2CCCC2)cc1	178711120	QAELJNFBASYATA-UHFFFAOYSA-N	291.395	1.139	10	20	CDCD	
CCC(O)(CC)CNC(=O)c1cccc(O)c1O	126623707	OMNHQGRYLBXUJC-UHFFFAOYSA-N	253.298	1.379	10	20	CDCD	
CN(C)CCN(C)c1ccc(/C=C\C(=O)O)cc1[N+](=O)[O-]	216749785	IQJARRNXEZAANY-ALCCZGGFSA-N	293.323	1.690	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)c1ccc(F)nc1	157922793	SICCLTJXSLXWAP-UHFFFAOYSA-N	276.267	1.604	10	20	CDCD	
COCCCNC(=O)CN(C)Cc1ccc(N(C)C)cc1	120118527	WUMXTKPTYRYQPE-UHFFFAOYSA-N	293.411	1.337	10	20	CDCD	
C[C@H](N[C@H]1CC(=O)N(C2CC2)C1)c1ccccc1O	183614272	AEZPWROXGRCVSV-QWRGUYRKSA-N	260.337	1.806	10	20	CDCD	
C[C@@H](NCC(=O)N1CCOCC1)c1cc(Cl)ccc1O	186235214	FEMDBVUHRHWVRS-SNVBAGLBSA-N	298.770	1.555	10	20	CDCD	
O=C(O)C[C@H]1CN(Cc2c(O)cccc2Cl)CCO1	128838332	BAPDTAOHWAOFSK-VIFPVBQESA-N	285.727	1.721	10	20	CDCD	
Oc1cc2c(cc1CNCC1CC3(C1)OCCO3)OCO2	922798776	MQNDRNMGYWVGMP-UHFFFAOYSA-N	293.319	1.364	10	20	CDCD	
CCOc1cccc(CN2CCC(C(=O)NC)CC2)c1O	133344661	WQQLZGOJZFVVHV-UHFFFAOYSA-N	292.379	1.749	10	20	CDCD	
Cc1cc(O)c(CN[C@]2(CO)CCOC2)cc1C	184181629	AUDQZKVQRWVORY-AWEZNQCLSA-N	251.326	1.250	10	20	CDCD	
COc1cc(O)c(CN[C@@H]2C(=O)NCC[C@H]2C)cc1OC	195008123	FLIXLCBREGRFPI-OTYXRUKQSA-N	294.351	1.024	10	20	CDCD	
C[C@@H](O)C[C@@H](C)CNC(=O)NCc1ccc(N(C)C)cc1	133899396	GWCUIEIUHPUONP-CHWSQXEVSA-N	293.411	1.959	10	20	CDCD	
Cc1cccc(NC(=O)C(=O)N(C)Cc2ccccc2O)n1	193046648	ASBANVJBUNNYRQ-UHFFFAOYSA-N	299.330	1.693	10	20	CDCD	
CCCNC(=O)CN[C@H](C)c1cc(F)ccc1O	94617116	KUQHDSIDGYZWQH-SECBINFHSA-N	254.305	1.708	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)NC[C@H](O)C(C)C)c1	273616620	XLUWQFLQSPHOKM-YGRLFVJLSA-N	281.352	1.846	10	20	CDCD	
CCC[C@]1(C)C(=O)NCCN1C(=O)c1cccc(O)c1O	275849285	KYGRWYWPEZGGQR-OAHLLOKOSA-N	292.335	1.229	10	20	CDCD	
Nc1ccc(CC(=O)N(C2CCNCC2)C2CC2)cc1	370794424	WMDJOMSHZPINAH-UHFFFAOYSA-N	273.380	1.554	10	20	CDCD	
CCn1c(SCC(=O)C(C)=O)nc2ccsc2c1=O	289577605	IHZSKPVJFDZVCC-UHFFFAOYSA-N	296.373	1.728	10	20	CDCD	
Cc1cc(O)c(CNC[C@H](CO)[C@@H]2CCOC2)cc1C	280388001	WLPGFEFYWBJDRN-UKRRQHHQSA-N	279.380	1.744	10	20	CDCD	
Cc1nnc([C@H](C)NC(=O)c2c(F)ccc(O)c2O)s1	295025121	UZMZKNQWEVTLJF-YFKPBYRVSA-N	297.311	1.888	10	20	CDCD	
CC(=O)C(=O)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1	808021422	MLPSDIAFJWDQLX-UHFFFAOYSA-N	274.236	1.011	10	20	CDCD	
Cc1cc(CN2CCN3C(=O)NC[C@H]3C2)ccc1N(C)C	292882376	UGMIEFRCQCYMGK-AWEZNQCLSA-N	288.395	1.270	10	20	CDCD	
CN1CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)CC1	299404815	DMRSYOIFTLWBOC-UHFFFAOYSA-N	294.374	1.349	10	20	CDCD	
Oc1ccc(F)cc1CN1CC[C@]2(CNCCO2)C1	719996557	AIPKGNPXBWTGPT-AWEZNQCLSA-N	266.316	1.096	10	20	CDCD	
CCOCC[C@@H](O)CNCc1ccc(N(C)C)cc1C	819077845	PEEQZEJJVRJFTA-MRXNPFEDSA-N	280.412	1.938	10	20	CDCD	
O=C1NC[C@@H]2CN(Cc3ccc4ccccc4c3O)CCN12	816520053	DXSOUCSWNQUKRV-CQSZACIVSA-N	297.358	1.755	10	20	CDCD	
COC(=O)N(C)CCNC(=O)N(C)Cc1ccccc1O	822798204	UGAKSVFSQIZSSM-UHFFFAOYSA-N	295.339	1.232	10	20	CDCD	
O=C(c1c(F)ccc(O)c1O)N1CC[C@@H]([C@H]2CCOC2)C1	827209443	ZQTNHIQFIRMUOK-ZJUUUORDSA-N	295.310	1.736	10	20	CDCD	
COc1cc(O)c(CNC/C=C/CO)cc1OC	826937365	LUHZZSIEJCRXMG-ONEGZZNKSA-N	253.298	1.048	10	20	CDCD	
CO[C@@H]1CCC[C@@H]1CNC(=O)c1c(F)ccc(O)c1O	827821770	VCCIRLGYSBZVIO-LDYMZIIASA-N	283.299	1.782	10	20	CDCD	
CN(C[C@@H]1CCCOC1)C(=O)c1cc(O)cs1	732289616	IXNDJQMYMYPUJS-VIFPVBQESA-N	255.339	1.952	10	20	CDCD	
CN(C)c1ccc(CN[C@H](C(=O)O)[C@H]2CCCOC2)cc1	901832960	QKFBQUQYWMCUDL-ZFWWWQNUSA-N	292.379	1.722	10	20	CDCD	
CC[C@H](NC(=O)c1c(F)ccc(O)c1O)[C@H](O)C(C)C	839870737	VJRPICMHHMHQTL-JOYOIKCWSA-N	285.315	1.762	10	20	CDCD	
COCCN(C)C(=O)NCc1ccc(N(C)C)cc1C	734687065	FQRQMYKKORPBDV-UHFFFAOYSA-N	279.384	1.849	10	20	CDCD	
O=C(COC(=O)[C@H]1CC1(F)F)c1ccc(O)c(O)c1	837982101	MMLOCMJTDDVHFX-SSDOTTSWSA-N	272.203	1.479	10	20	CDCD	
Oc1cc2c(cc1CN[C@H]1CCNC3(CCC3)C1)OCO2	841089992	SWYLLEGZVLVIMD-LBPRGKRZSA-N	290.363	1.885	10	20	CDCD	
COc1ccc(O)c(CNC(=O)NCc2ccon2)c1	747586040	WBSSHJBIRQXQTC-UHFFFAOYSA-N	277.280	1.388	10	20	CDCD	
CNCCCNC(=O)N(C)Cc1ccc(N(C)C)cc1	841914376	DBXVMJVBPQOBLG-UHFFFAOYSA-N	278.400	1.504	10	20	CDCD	
COC[C@@H](NCc1ccc(N(C)C)cc1C)C(=O)OC	840941621	DTXBCJCXHYUXTR-CQSZACIVSA-N	280.368	1.339	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2ccc3nncn3c2)cc1	749403384	KFHQVEKQIFDMDJ-UHFFFAOYSA-N	295.346	1.725	10	20	CDCD	
CCc1cccc(CN(C)CC(=O)N2CCOCC2)c1O	848881605	ZCBMCITUUBSNJU-UHFFFAOYSA-N	292.379	1.245	10	20	CDCD	
CCN1C(=O)C(C)(C)N[C@@H]1c1cccc(O)c1O	840834546	YSFHJQTXLBTEPD-NSHDSACASA-N	250.298	1.327	10	20	CDCD	
Cc1cc(CN[C@H]2C(=O)NCC2(C)C)ccc1N(C)C	925433737	FYIUWTHVUPOZNO-AWEZNQCLSA-N	275.396	1.675	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)N[C@H](CCO)C2CC2)c1	756739421	NIQHRUWJZGHJDX-QMTHXVAHSA-N	293.363	1.990	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)C2(CO)CCOCC2)c1	862755256	PUCSMCDVHAWKPD-UHFFFAOYSA-N	279.336	1.106	10	20	CDCD	
CC(C)N1CCC[C@@H]1C(=O)NCc1ccccc1O	934936269	QQARCTAKCHDIOB-CYBMUJFWSA-N	262.353	1.881	10	20	CDCD	
C[C@H]1CN(Cc2cc3c(cc2O)OCO3)CC[C@H]1C(=O)O	863739661	NSLULIVNTAFNAM-GXSJLCMTSA-N	293.319	1.664	10	20	CDCD	
COC[C@@H]1CN(Cc2ccc(C)cc2O)C[C@H](C)O1	877464200	LYOBLOYMNFZPPT-JSGCOSHPSA-N	265.353	1.936	10	20	CDCD	
C[C@H](NC(=O)Cn1cccn1)c1ccc(N(C)C)cc1	773008256	MAFOFFQGZLKHNP-LBPRGKRZSA-N	272.352	1.827	10	20	CDCD	
CO[C@H]1CN(Cc2cc(F)cc(C(C)=O)c2O)CCO1	878966768	NANXBXLNWVHDCA-CYBMUJFWSA-N	283.299	1.539	10	20	CDCD	
CC(=O)NCCNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1	773611744	KBIRFRLKOHBTDU-NSHDSACASA-N	292.383	1.249	10	20	CDCD	
CCOC(=O)[C@H](C)N(C)C(=O)/C=C/c1ccc(O)c(O)c1	779515535	TZAPROGNRNBEAX-PCGIRMHASA-N	293.319	1.521	10	20	CDCD	
CCOc1ccc(O)c(CNC[C@H]2C[C@H](O)C2)c1	873177325	FHEXNGYEYTYSCQ-UMSPYCQHSA-N	251.326	1.651	10	20	CDCD	
O=C(NCc1ccccc1O)c1ccnn1CC(F)F	789996397	PUCUJDYSIRSCQH-UHFFFAOYSA-N	281.262	1.784	10	20	CDCD	
COC(=O)C(C)(C)NCc1cc(C)cc(OC)c1O	894374120	DXZKVAIGFSYYBM-UHFFFAOYSA-N	267.325	1.750	10	20	CDCD	
C[C@@]1(C(N)=O)CCN(Cc2cc3c(cc2O)CCCC3)C1	794710643	HSFJVWRNJMKIEQ-QGZVFWFLSA-N	288.391	1.968	10	20	CDCD	
CN(Cc1cc2c(cc1O)OCO2)Cc1nccn1C	16848978	OIMJNMIXLUWRAK-UHFFFAOYSA-N	275.308	1.486	10	20	CDCD	
C[C@@H]1CN(C(=O)c2cc(O)cs2)CC2(CCOCC2)O1	791057953	BLDUKENZBSYETI-SNVBAGLBSA-N	297.376	1.864	10	20	CDCD	
COC[C@@H](NC(=O)NCc1ccc(OC)cc1O)C1CC1	793007178	GBZTYRCPTPOPON-CYBMUJFWSA-N	294.351	1.625	10	20	CDCD	
Cn1cc(/C=C/C(=O)N2C[C@H](O)Cc3ccccc32)cn1	790156774	QDNGIIPDZOHSOV-PSKZRQQASA-N	283.331	1.384	10	20	CDCD	
CC(=O)N1CCC(C(=O)NCc2ccc(N)cc2)CC1	701361820	YLFHAEPVUVAVNR-UHFFFAOYSA-N	275.352	1.144	10	20	CDCD	
CCCNC(=O)NC(=O)CN(C)Cc1ccccc1O	109770899	VSIOPXHQKPWMOD-UHFFFAOYSA-N	279.340	1.060	10	20	CDCD	
COc1ccc(O)c(CN[C@H](CCO)C(C)C)c1	224869572	YNZCEWSERDBXSR-CYBMUJFWSA-N	253.342	1.897	10	20	CDCD	
COc1ccc(N2CCN(C[C@@H](C)O)CC2)cc1F	192740708	BWXNPDBVMXUWKU-LLVKDONJSA-N	268.332	1.337	10	20	CDCD	
CCN1CCC[C@H](N[C@@H]2CCc3cccc(O)c32)C1=O	722356437	PPGMXVSZTYNZIS-OLZOCXBDSA-N	274.364	1.980	10	20	CDCD	
CN(CCCO)C1CCN(Cc2ccc(N)cc2)CC1	1336116950	IREBZPACDGNLCT-UHFFFAOYSA-N	277.412	1.547	10	20	CDCD	
Cc1ccc(CN[C@H]2CCN(c3cnn(C)c3)C2)c(O)c1	1333352701	MRHCDCKLLATHSC-AWEZNQCLSA-N	286.379	1.803	10	20	CDCD	
COC(=O)C[C@H]1CN(Cc2ccc(N)cc2)CCO1	1336118393	YMJNLDZWLCBWHD-ZDUSSCGKSA-N	264.325	1.033	10	20	CDCD	
Cn1c(-c2sccc2O)nnc1N1C[C@H]2COC[C@H]2C1	1337957374	PRQKCTHKSZQCII-DTORHVGOSA-N	292.364	1.332	10	20	CDCD	
CNC1(C(=O)NCc2ccc(OC)cc2O)CCC1	1343659481	JQRGNZCOVVZKTN-UHFFFAOYSA-N	264.325	1.159	10	20	CDCD	
Cc1cc(Cl)cc(CN2CCCNC[C@H]2C(=O)O)c1O	1607655770	IUZWAQAEHAIUQY-LBPRGKRZSA-N	298.770	1.603	10	20	CDCD	
COc1cc(O)c(CN[C@@H](C)CC(=O)O)cc1OC	1594066504	OEANGUWOBNZXRY-QMMMGPOBSA-N	269.297	1.362	10	20	CDCD	
Oc1c(F)cc(F)cc1CNCCO[C@H]1CCOC1	922934960	PNLYQBPIVBKERG-NSHDSACASA-N	273.279	1.566	10	20	CDCD	
COCCCN(C)Cc1cc(OC)c(OC)cc1O	159962455	TUEPNJKVMYJPMH-UHFFFAOYSA-N	269.341	1.878	10	20	CDCD	
CC(C)[C@H](O)C(C)(C)CNC(=O)Cc1ccc(N)cc1	831448306	STCQIHSLKNTWDW-HNNXBMFYSA-N	278.396	1.971	10	20	CDCD	
COC(=O)[C@@H](CC(C)C)NC(=O)c1cccc(O)c1O	126350783	WNSMPZQDXDDTLZ-SNVBAGLBSA-N	281.308	1.415	10	20	CDCD	
COc1ccc(CN[C@@H]2CCN(S(C)(=O)=O)C2)cc1C	400149484	AUPPRQSYOKTQJK-CYBMUJFWSA-N	298.408	1.127	10	20	CDCD	
COc1cccc(CNCCN2CCSCC2)c1O	226246658	AUAWJRCBSIURBZ-UHFFFAOYSA-N	282.409	1.539	10	20	CDCD	
Cc1cc(O)c(CN(C)[C@@H]2CCS(=O)(=O)C2)cc1C	27165343	PUOHKPVFYWPMSI-CYBMUJFWSA-N	283.393	1.628	10	20	CDCD	
CN(C)c1ccc(CNc2ccncc2C(N)=O)cc1F	302207865	FIXDGQSGGIVLDE-UHFFFAOYSA-N	288.326	1.998	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1nccnc1N	115489715	GWLKUCNIFHRALD-UHFFFAOYSA-N	285.351	1.363	10	20	CDCD	
COc1ccc(N2CC[C@@H](CNS(C)(=O)=O)C2)cc1	62575118	JAFRAYADQYNQSE-NSHDSACASA-N	284.381	1.071	10	20	CDCD	
C[C@H](NCc1c(O)cccc1Cl)[C@H]1CN(C)CCO1	129235051	QTOJDDIYJIVVAU-IINYFYTJSA-N	284.787	1.854	10	20	CDCD	
Cc1ccc(O)c(CN[C@@H](C)CC[S@@](C)=O)c1	125534358	ICQSPVCOXRWSKV-GTNSWQLSSA-N	255.383	1.947	10	20	CDCD	
CN(C)c1ccc(CN2CCN(CC(C)(C)O)CC2)cc1	129940604	KSSLHFHCUSGLEP-UHFFFAOYSA-N	291.439	1.641	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NCC1(CO)CCCC1	187036789	WGUYRTVITJPSSE-GQCTYLIASA-N	291.347	1.780	10	20	CDCD	
Cc1ccc(C(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)c(O)c1O	182582983	DAIWXOMGYKHBBA-QWRGUYRKSA-N	290.363	1.761	10	20	CDCD	
Cc1cccc(CN2C[C@H](C)O[C@@H](CO)C2)c1O	248957033	FYDWHSXQRZHUSY-WCQYABFASA-N	251.326	1.282	10	20	CDCD	
CCOC(=O)CN(C)C(=O)c1ccc(C)c(O)c1O	267559673	GHELVIDAZTZGNS-UHFFFAOYSA-N	267.281	1.041	10	20	CDCD	
CCOc1ccc(N(CC)CCCS(N)(=O)=O)cc1	264178135	JLXXSQXLUINOJA-UHFFFAOYSA-N	286.397	1.590	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)N[C@@H]2C=C[C@H](CO)C2)c1	273451637	GCEHMJUGSVXKJT-NTZNESFSSA-N	291.347	1.766	10	20	CDCD	
Cc1nn(C)cc1S(=O)(=O)N(C)Cc1ccccc1O	288282758	VAPBCVDSIPRYMJ-UHFFFAOYSA-N	295.364	1.255	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNCCCCCO)c1O	280591579	XNFQHUBALRTMPT-UHFFFAOYSA-N	284.312	1.561	10	20	CDCD	
COc1cc(O)c(CNC[C@H](O)C2CC2)cc1OC	289536282	WMMXUCQTHIEGOR-LBPRGKRZSA-N	267.325	1.270	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@](C)(O)C1CC1	287990071	VFKPFADSAUEZGM-RFAUZJTJSA-N	279.336	1.306	10	20	CDCD	
COc1ccc(O)c(CN(C)[C@@H](CO)COC(C)C)c1	809768247	GFIYZQGTURVMNY-ZDUSSCGKSA-N	283.368	1.619	10	20	CDCD	
COCCN(CC(=O)OC)Cc1ccc(N(C)C)c(C)c1	293263975	XQGNVIISUVSFGH-UHFFFAOYSA-N	294.395	1.682	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCOCC(F)(F)C1	811544455	YSAYIHBNNMAODJ-UHFFFAOYSA-N	263.265	1.561	10	20	CDCD	
Nc1ccc(CNC(=O)N2CC[C@H]3CC[C@@H](C2)N3)cc1	1357791965	QVFPFGLLPRAULP-KGLIPLIRSA-N	274.368	1.305	10	20	CDCD	
COCCNCCN[C@@H](C)c1c(C)cc(C)cc1O	817964539	FAEOJZKJYOIBAY-ZDUSSCGKSA-N	266.385	1.896	10	20	CDCD	
COCCNCCN[C@@H]1C[C@@H](C)c2c(F)ccc(O)c21	817964529	DVXUNRRJAUCTSY-ZYHUDNBSSA-N	282.359	1.905	10	20	CDCD	
Cc1nc(=NC(=O)NCc2c(C)c3ccccc3n2C)o[nH]1	579199526	TVBAGNWKBGRHEA-UHFFFAOYSA-N	299.334	1.922	10	20	CDCD	
COc1cccc(CN2C[C@H](CO)OC(C)(C)C2)c1O	817413119	UMIZVSLGNTUZLL-GFCCVEGCSA-N	281.352	1.373	10	20	CDCD	
O=C(O)[C@@H](NCc1ccc2c(c1)CCO2)[C@H]1CCCOC1	901833654	UTDYRUYSEFDTQC-ZFWWWQNUSA-N	291.347	1.591	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)[C@H](O)C1CC1	830146943	NOIAJUSGBZJJIE-CQSZACIVSA-N	263.337	1.902	10	20	CDCD	
CC[C@@H](C)N1CCN(C(=O)c2c(F)ccc(O)c2O)CC1	839787626	QBZIDXMFMJKCKS-SNVBAGLBSA-N	296.342	1.793	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H](O)C2CC2)c1	830540833	OASHXIMWEOGSMG-SDBXPKJASA-N	265.309	1.349	10	20	CDCD	
O=C(NCCCSc1nccs1)C(=O)c1ccc[nH]1	836196037	WKVMWGASUICSGI-UHFFFAOYSA-N	295.389	1.953	10	20	CDCD	
CC(C)CO[C@@H](C)C(=O)NCc1ccc(O)cc1O	910951699	LWOWKBBPTHDDHW-JTQLQIEISA-N	267.325	1.775	10	20	CDCD	
CN(C)c1ccc([C@@H](N)CNC(=O)[C@H]2CCCOC2)cc1	832278909	GDORTVISYXGSJU-ZFWWWQNUSA-N	291.395	1.295	10	20	CDCD	
C[C@@H]1CC[C@@H](CNC(=O)NCc2ccccc2O)O1	838059505	BOARIBORRQXOSW-PWSUYJOCSA-N	264.325	1.759	10	20	CDCD	
CN1CC(=O)N[C@H]1c1cccc(Br)c1O	917500508	OEMGNZFTHCYVCP-SNVBAGLBSA-N	271.114	1.215	10	20	CDCD	
CCn1ccc(CC(=O)NCc2ccc(O)cc2O)n1	910944679	WZLRLXIMERMTST-UHFFFAOYSA-N	275.308	1.173	10	20	CDCD	
CC1(N)CCN(Cc2ccc(N3CCOCC3)cc2)CC1	843104461	IEJJWCRCYVKFEX-UHFFFAOYSA-N	289.423	1.836	10	20	CDCD	
COc1cccc(O)c1CNC[C@@](C)(O)c1ccco1	742375139	IUTVJDCZHJEHRM-OAHLLOKOSA-N	277.320	1.991	10	20	CDCD	
CCCN1CC(=O)N[C@@H]1c1cc(Cl)ccc1O	840823335	WSDLMXCBLHNYIP-LBPRGKRZSA-N	254.717	1.886	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)c2[nH]c(O)nc2C)c1	847589663	LASKGNDHTGGCIT-ZETCQYMHSA-N	291.307	1.629	10	20	CDCD	
O=C(Cc1ccc2c(c1)NC(=O)C2)NCc1ccccc1O	752597758	YVEPCKXZXREDMK-UHFFFAOYSA-N	296.326	1.746	10	20	CDCD	
COC[C@@](C)(O)CN[C@H](C)c1cc(C(=O)OC)ccc1O	756578880	XJHKVDBYIGOJRC-BMIGLBTASA-N	297.351	1.227	10	20	CDCD	
COc1ccc(O)c([C@H](C)N[C@H](C)C(=O)N(C)OC)c1	858586581	FQATZQWKAYKVSX-VHSXEESVSA-N	282.340	1.460	10	20	CDCD	
CC[C@H](N[C@@H]1CCOC[C@H]1O)c1ccc(N(C)C)cc1	858552246	DTARKAUPRRUGMT-ARFHVFGLSA-N	278.396	1.943	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1cnco1	759112720	AGSMVSCIKMJIEX-UHFFFAOYSA-N	259.309	1.979	10	20	CDCD	
CCCNC(=O)CCNC(=O)N[C@H](C)c1ccccc1O	868127028	XQZDDEDVMALPIK-LLVKDONJSA-N	293.367	1.669	10	20	CDCD	
CC(C)CC[C@@H](CO)NC(=O)c1c(F)ccc(O)c1O	863936915	BTJLWCJUBUQERS-VIFPVBQESA-N	285.315	1.764	10	20	CDCD	
O=C1CN(Cc2cc(Cl)ccc2O)CCCN1	769115088	NVUMRXHUIFXQIQ-UHFFFAOYSA-N	254.717	1.368	10	20	CDCD	
COc1cccc(O)c1CN1CC(=O)N[C@H]2CCCC[C@H]21	769193356	XZRRWVFGAXPYMH-QWHCGFSZSA-N	290.363	1.644	10	20	CDCD	
Cc1ccc(CN2C[C@@H](CO)OC[C@H]2C)c(O)c1	876812276	KNFYWYMMECUVLF-YPMHNXCESA-N	251.326	1.282	10	20	CDCD	
COC(C)(C)CN(C)C(=O)/C=C\c1ccc(O)c(O)c1	779530245	WPVKFQVFMGFFNQ-VURMDHGXSA-N	279.336	1.994	10	20	CDCD	
C[C@@H](NC(=O)NCC1(CO)CC1)c1ccc(N(C)C)cc1	776249335	MYRKFOJUVUKHJG-GFCCVEGCSA-N	291.395	1.885	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCC[C@]12CCOC2=O	779462478	OTNLACBTACBHPF-GFCCVEGCSA-N	267.306	1.375	10	20	CDCD	
Oc1cc2c(cc1CN1CC(OC(F)F)C1)[C@H](O)CO2	797821126	DNVKXHUDQMTVJM-LLVKDONJSA-N	287.262	1.241	10	20	CDCD	
CCO[C@@H]1C[C@H]1C(=O)NCc1ccc(OC)cc1O	794380749	BERWIHRCNAWSRD-DGCLKSJQSA-N	265.309	1.442	10	20	CDCD	
CS(=O)(=O)CCCc1nc(Cc2ccc(N)cc2)no1	1329434306	YJNOJHMEJQNCHO-UHFFFAOYSA-N	295.364	1.220	10	20	CDCD	
C[C@H]1OCCN(C(=O)c2cccc(O)c2O)[C@@H]1C	193137489	VCYNZSBBIIDNFI-RKDXNWHRSA-N	251.282	1.347	10	20	CDCD	
CCO[C@H]1COCC[C@@H]1NCc1cccc(C)c1O	761222487	JMTCSJRTPRTJQD-KBPBESRZSA-N	265.353	1.984	10	20	CDCD	
CCC[C@@H](O)CCNC(=O)NCc1ccc(N)cc1	1335736527	CFXONHZCVYGBRW-CYBMUJFWSA-N	265.357	1.619	10	20	CDCD	
COc1cccc(O)c1CN1CCC[C@@H](S(C)(=O)=O)C1	764676752	BURBIIOSZWXJTC-LLVKDONJSA-N	299.392	1.410	10	20	CDCD	
Nc1ccc(CNC(=O)NC[C@@H]2CCCCCN2)cc1	1346685489	KKHCVEFLGLXDNR-AWEZNQCLSA-N	276.384	1.600	10	20	CDCD	
Nc1ccc(CN2CC[C@@H](n3cc(C(=O)O)nn3)C2)cc1	1608272771	LAOKTVUGWSITIY-GFCCVEGCSA-N	287.323	1.006	10	20	CDCD	
C[C@@H]1CC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CN1	1576667905	WLHWZUHSKLYLJJ-BXKDBHETSA-N	289.339	1.719	10	20	CDCD	
CC[C@@H](CCO)N[C@H](C)c1cccc(-c2nn[nH]n2)c1O	1590439966	VCCGFEISZXWQIZ-ZJUUUORDSA-N	291.355	1.384	10	20	CDCD	
Cc1cccc(O)c1CNc1cnn(CC(=O)O)c1	1594408429	IZOYWJLSOGQDNS-UHFFFAOYSA-N	261.281	1.594	10	20	CDCD	
NC(=O)[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1	155043672	WLKCEYUXPCSTPR-SECBINFHSA-N	268.744	1.743	10	20	CDCD	
O=C1N=C(N2CCCCC2)S/C1=C/c1csnn1	209147863	VGUUXXDWAQNPAB-RMKNXTFCSA-N	280.378	1.994	10	20	CDCD	
C[C@@H](CO)CCCNCc1cc2c(cc1O)OCO2	230161349	QQJUMHBTAMFWAC-SNVBAGLBSA-N	267.325	1.619	10	20	CDCD	
Cc1nc(S(=O)(=O)Nc2ccc(O)cc2)cn1C	50254241	VGKVZZOIGQUWCF-UHFFFAOYSA-N	267.310	1.235	10	20	CDCD	
CCc1cccc(CN(C)CC(=O)N(C)C)c1O	821982072	GFSOMFQJDPNYNV-UHFFFAOYSA-N	250.342	1.475	10	20	CDCD	
C[C@@H](NC(=O)C[C@H]1CCS(=O)(=O)C1)c1ccccc1O	1330895768	FEQUSCMOTARHGL-GHMZBOCLSA-N	297.376	1.394	10	20	CDCD	
CN[C@H]1CCCN(Cc2cc(OC)ccc2O)C1	53201733	OHXSMGAYKSHIKP-LBPRGKRZSA-N	250.342	1.585	10	20	CDCD	
COCCN(Cc1ccc(N(C)C)c(F)c1)[C@@H](C)C(N)=O	119917355	XIMBEVMSYUIIQC-NSHDSACASA-N	297.374	1.214	10	20	CDCD	
C[C@H](O)[C@H](C)SCC(=O)NCc1ccc(N(C)C)cc1	172955225	KKCOZKYVJZMZHU-RYUDHWBXSA-N	296.436	1.871	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CCn2ccnn2)cc1F	69913976	BBKQEESNDNKYCQ-UHFFFAOYSA-N	291.330	1.190	10	20	CDCD	
COc1cccc(CNC(C)(C)CN2CCOCC2)c1O	308641068	YKFKZVSOAFLSGX-UHFFFAOYSA-N	294.395	1.601	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccnc2ccnn12	181095121	RAMOOESIFNYTNV-DUXPYHPUSA-N	296.286	1.792	10	20	CDCD	
C[C@@H](NCCOCCO)c1ccc(N(C)C)cc1	37239922	YNWAPLWXMJABFH-GFCCVEGCSA-N	252.358	1.412	10	20	CDCD	
COc1cccc(CNC(=O)COC(C)(C)C)c1O	182344949	RFSPEFXAVLQFTD-UHFFFAOYSA-N	267.325	1.832	10	20	CDCD	
CC[C@](C)(O)CNC(=O)c1ccc(C)c(O)c1O	182531916	QRZNNSQUCPJIJM-ZDUSSCGKSA-N	253.298	1.297	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)c1csc([N+](=O)[O-])c1	182518271	PDNKYHXZDUJFFW-UHFFFAOYSA-N	294.288	1.998	10	20	CDCD	
CO[C@@H](C)CNC(=O)NCc1ccc(N(C)C)cc1	191071796	YMCHLOHNFRLWKI-NSHDSACASA-N	265.357	1.587	10	20	CDCD	
CCCCN/C=C1/C(=O)NC(=S)N(CC(C)C)C1=O	48403033	YOCMOZOAFIYMDN-YFHOEESVSA-N	283.397	1.159	10	20	CDCD	
O=C(CNC1CC1)NCc1c(O)ccc2c1CCCC2	238145634	RVAZXVSREHDZLZ-UHFFFAOYSA-N	274.364	1.639	10	20	CDCD	
Cc1cc(NS(=O)(=O)c2cn(C)cn2)ccc1O	148629169	ONRMHFSBXWWCDQ-UHFFFAOYSA-N	267.310	1.235	10	20	CDCD	
Oc1cccc(Cl)c1CNCCN1CCC(O)CC1	294884078	QGUCDWYNAXMPDN-UHFFFAOYSA-N	284.787	1.592	10	20	CDCD	
COC(=O)C[C@@H]1CN(Cc2cc(Cl)ccc2O)CCO1	93458446	FGRVIALBWJAOBD-GFCCVEGCSA-N	299.754	1.810	10	20	CDCD	
O=C(NCc1ccccc1O)NCC1CCOCC1	263762573	RSKMZKHHIRUXGP-UHFFFAOYSA-N	264.325	1.618	10	20	CDCD	
C[C@H](NC[C@@H]1CN(C)CCN1C)c1ccc(F)c(F)c1O	276983173	WIXGYXPDVYKMQS-WDEREUQCSA-N	299.365	1.567	10	20	CDCD	
O=C(NC[C@H]1CCCCO1)c1c(F)ccc(O)c1O	277614264	IAOQRQXAMXUDTC-MRVPVSSYSA-N	269.272	1.536	10	20	CDCD	
Cc1cccc(CN2CCN(C[C@H](C)O)C[C@@H]2C)c1O	284291075	IBTIXNSQSSRBEB-KBPBESRZSA-N	278.396	1.588	10	20	CDCD	
C[C@@H](NC1CC1)C(=O)NCc1ccc(N(C)C)c(F)c1	295198263	OTXGWLCFTSCROQ-SNVBAGLBSA-N	279.359	1.648	10	20	CDCD	
CCn1nc(C)c(C(=O)NCc2ccc(N(C)C)cc2)n1	292916783	YWPTXXRPPFHIBY-UHFFFAOYSA-N	287.367	1.602	10	20	CDCD	
CCOc1ccc(CN2CC(=O)NCC2(C)C)c(O)c1	800539430	YFAMVEMMUCBQDR-UHFFFAOYSA-N	278.352	1.501	10	20	CDCD	
CC[C@H](NC[C@H]1CNCCO1)c1ccc(F)cc1O	817983967	SQCUOYNFBBJWSI-YPMHNXCESA-N	268.332	1.560	10	20	CDCD	
C[C@@H](CN)CN[C@H](C)c1cc([N+](=O)[O-])ccc1O	817962237	JRWUZZZIAWIAFR-DTWKUNHWSA-N	253.302	1.546	10	20	CDCD	
COCCOCCCCNC(=O)NCc1ccccc1O	726251205	SUQYCXAOSLZGJW-UHFFFAOYSA-N	296.367	1.635	10	20	CDCD	
Oc1ccc(F)cc1CNC1CCN([C@@H]2CCOC2)CC1	827549230	FCZFQRZRYMLDOC-OAHLLOKOSA-N	294.370	1.874	10	20	CDCD	
COc1ncc(/C=C\C(=O)N2CCOc3ncccc32)cn1	492673056	FGGBHCIFENZKLI-PLNGDYQASA-N	298.302	1.319	10	20	CDCD	
NC(=O)[C@H]1CC[C@H]1C(=O)NCCCSc1nccs1	847487321	BPAUEFOOXFLFPD-DTWKUNHWSA-N	299.421	1.253	10	20	CDCD	
CC(C)[C@@H]1CN(C(=O)C(=O)Nc2ccc(N)cc2)CCO1	841084076	WILWHZNKSUISJD-ZDUSSCGKSA-N	291.351	1.091	10	20	CDCD	
COc1ccc(N2CCCN(CC(C)(C)N)CC2)cc1	843060746	OBZRTBKQIBIVLN-UHFFFAOYSA-N	277.412	1.945	10	20	CDCD	
C[C@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)CC[C@@H]1N	841651909	CETIWNJFLMYEFR-WFASDCNBSA-N	290.411	1.631	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1CC[C@](F)(CO)C1	840943345	NWBTULULSWGHIQ-OAHLLOKOSA-N	266.360	1.967	10	20	CDCD	
CC[C@H](C)[C@H](OC(=O)c1cccc(O)c1O)C(=O)OC	922619193	DLMRNTMOPSTSFG-UFBFGSQYSA-N	282.292	1.842	10	20	CDCD	
COc1cc(C)cc(CN(C)[C@@H]2CCOC2)c1O	754726164	FDGMZYNJSOXWPK-GFCCVEGCSA-N	251.326	1.930	10	20	CDCD	
COCCOCC(=O)N[C@H](C)c1cc(OC)ccc1O	768910640	KEALFVUQQDOEKM-SNVBAGLBSA-N	283.324	1.241	10	20	CDCD	
COC[C@@H]1NC(=O)N([C@@H](C)c2ccc(N(C)C)cc2)C1=O	761579480	MNZMAPKZKNXJFQ-GWCFXTLKSA-N	291.351	1.380	10	20	CDCD	
C[C@H]1NC(=O)N(Cc2ccc(N3CC=CC3)cc2)C1=O	761356865	BQTPGFMJJGSEKP-LLVKDONJSA-N	271.320	1.503	10	20	CDCD	
CNC(=O)[C@@H](C)CN(C)Cc1ccc(C)cc1O	876798690	LLBBFIHRRNYQOM-NSHDSACASA-N	250.342	1.515	10	20	CDCD	
Cc1cccc(CN[C@H](C)CC[S@](C)=O)c1O	164756233	QVKRTKZHAAWKGX-PIGZYNQJSA-N	255.383	1.947	10	20	CDCD	
CNC(=O)[C@H]1CCC[C@H]1NCc1cc2c(cc1O)OCO2	765795588	KDDNUAQWJJCMHJ-WDEREUQCSA-N	292.335	1.125	10	20	CDCD	
COCC[C@H](C)S(=O)(=O)NCc1ccccc1O	766500327	DSOMBFAVLCMPPO-JTQLQIEISA-N	273.354	1.237	10	20	CDCD	
CCN(CC)C[C@@H](C)NC(=O)/C=C\c1ccc(O)c(O)c1	779520494	IEXUAJBHOSIPQS-ZVTBTPLYSA-N	292.379	1.958	10	20	CDCD	
CN(Cc1ccccc1O)Cc1cc(C(=O)O)nn1C	874036077	BWCVEHUQMVTXGH-UHFFFAOYSA-N	275.308	1.456	10	20	CDCD	
CC[C@@](C)(CO)NCc1ccc([N+](=O)[O-])c(OC)c1O	775051857	QFMKOFZWQZKGMX-ZDUSSCGKSA-N	284.312	1.560	10	20	CDCD	
C[C@@H](NCc1ncn(C)n1)c1c(O)cccc1F	886559755	CUTGIVKIAZPHIU-MRVPVSSYSA-N	250.277	1.511	10	20	CDCD	
CCN1C[C@H](N[C@H](C)c2c(O)cccc2F)CC1=O	886619127	TVWPESBOUARPKD-NXEZZACHSA-N	266.316	1.803	10	20	CDCD	
CCOC(=O)CN(CC)C(=O)c1ccc(C)c(O)c1O	780938445	CCRNBQNIBHGNRC-UHFFFAOYSA-N	281.308	1.431	10	20	CDCD	
CC(=O)N1CC(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1	788246087	FBDGOACDKVFYJA-LLVKDONJSA-N	289.379	1.408	10	20	CDCD	
C[C@@H](CNC(=O)NCc1ccc(N)cc1)N(C)C	1120573405	JLXZVGRZLMVTNE-JTQLQIEISA-N	250.346	1.018	10	20	CDCD	
CCC(=O)N1CC[C@@H](NCc2cc(F)cc(F)c2O)C1	883044878	GSHLHALTNCBHTL-LLVKDONJSA-N	284.306	1.771	10	20	CDCD	
CCn1cnnc1CCN[C@H](C)c1ccccc1O	783522429	NUBFAWKVUUGCCF-LLVKDONJSA-N	260.341	1.897	10	20	CDCD	
COc1cc(C)cc(CN2C[C@H](O)C[C@@]2(C)CO)c1O	895323219	AWZVWNBYUMAOPL-DOMZBBRYSA-N	281.352	1.027	10	20	CDCD	
CCOc1ccc(O)c(CN[C@@H]2COCC[C@H]2OC)c1	897891940	YYOJBTDRNQWZQM-UKRRQHHQSA-N	281.352	1.684	10	20	CDCD	
CCOC(=O)NCCC(=O)NCc1ccc(OC)cc1O	794381859	PPHFXUKUUZUIHC-UHFFFAOYSA-N	296.323	1.153	10	20	CDCD	
CC(C)(C)n1cc(C(=O)NCc2ccccc2O)nn1	790793513	DBKKGCDHJDQCDY-UHFFFAOYSA-N	274.324	1.669	10	20	CDCD	
Cn1cc([C@H](O)CNCc2c(O)ccc(Cl)c2F)cn1	790974326	SSXLEXIHNOKNJX-GFCCVEGCSA-N	299.733	1.741	10	20	CDCD	
Cc1nn(C)cc1CCC(=O)NCc1ccc(O)c(O)c1	1319338202	NRTKNSNJZZNOCE-UHFFFAOYSA-N	289.335	1.389	10	20	CDCD	
COc1ccc(CN2CCn3cncc3C2)c(O)c1OC	1336813386	QLDIFMCWNOTJRL-UHFFFAOYSA-N	289.335	1.622	10	20	CDCD	
O=C(NCc1cccc(O)c1O)c1cn2c(n1)CCCC2	1347235824	XOARXVRSKWEDPB-UHFFFAOYSA-N	287.319	1.561	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)NC1(C(=O)O)CC1	1262174928	NYVUFUFPSJMLNJ-UHFFFAOYSA-N	291.351	1.477	10	20	CDCD	
COc1ccc(CNC(=O)C[C@H](N)C(C)(C)C)c(O)c1	1263126294	HSRRQFCYMSWDIK-ZDUSSCGKSA-N	280.368	1.781	10	20	CDCD	
CN(C(=O)[C@@H]1C[C@H]1c1cncn1C)c1ccc(N)cc1	1340848069	ONFANEUTWMMOIO-CHWSQXEVSA-N	270.336	1.769	10	20	CDCD	
O=C(c1cccc2c1CCN2)N1CCCn2nccc21	1340197373	YJFGQJMXUAFKOD-UHFFFAOYSA-N	268.320	1.902	10	20	CDCD	
C[C@H]1[C@@H](C(=O)O)CCN1Cc1ccc(F)c(F)c1O	1604637340	RFWRHWCNGVGHDW-CBAPKCEASA-N	271.263	1.965	10	20	CDCD	
CC[C@](COC)(NCc1ccc(N(C)C)cc1)C(=O)O	1605057000	RNYXUWPEDKFUNB-OAHLLOKOSA-N	280.368	1.722	10	20	CDCD	
COc1cc(C)cc(CNC[C@@]2(C(=O)O)CCOC2)c1O	1607149268	FAOVTTBLHKZKPJ-HNNXBMFYSA-N	295.335	1.290	10	20	CDCD	
COc1cc(OC)cc(N(C)C(=O)C2=CCCNCC2)c1	1579168976	GXYJTVMMEDMHKX-UHFFFAOYSA-N	290.363	1.976	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)C1CC2(CC2)C1	830531663	MHPUSSRMUMTYHX-UHFFFAOYSA-N	261.321	1.947	10	20	CDCD	
Oc1ccccc1CNC[C@H]1CN2CCC[C@H]2CO1	252667514	KTEQJBKGUKNEFB-KBPBESRZSA-N	262.353	1.345	10	20	CDCD	
COc1cccc(CN2C[C@@H]3CCC[C@@H](N)[C@H]3C2)c1O	252859396	MKWMTDCGXFYMIS-FPMFFAJLSA-N	276.380	1.960	10	20	CDCD	
COC(=O)c1ccc(NCc2ccccc2O)nn1	163771795	DKCFPAOQQDZMMX-UHFFFAOYSA-N	259.265	1.581	10	20	CDCD	
COc1ccc(O)c(CN2C[C@@H](C)S(=O)(=O)[C@H](C)C2)c1	290814591	GJSXWUYSCZAMSU-GHMZBOCLSA-N	299.392	1.408	10	20	CDCD	
CN1CCC[C@H](N[C@H]2CCc3cccc(O)c32)C1=O	704346658	YSIMYHJDFUVKGC-RYUDHWBXSA-N	260.337	1.590	10	20	CDCD	
CCCNS(=O)(=O)N[C@H](C)c1ccccc1O	867834355	GOFVYICYWDWZJH-SECBINFHSA-N	258.343	1.287	10	20	CDCD	
COCC[C@H](CO)NCc1c(O)cccc1Cl	302295166	LXTJNDMNHKSZQF-SECBINFHSA-N	259.733	1.533	10	20	CDCD	
COC(=O)C[C@H]1CCCN1Cc1cccc(OC)c1O	179893931	INYSQKPPCPQALE-GFCCVEGCSA-N	279.336	1.928	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H]2CCCO2)c1	171409058	ZAHOHABRPVWIPQ-ZYHUDNBSSA-N	294.351	1.940	10	20	CDCD	
CC[C@H](C(=O)NCc1ccc(N(C)C)cc1)N(C)C	124563358	AVGRTOFFAAQUSK-CQSZACIVSA-N	263.385	1.709	10	20	CDCD	
CN(CCCS(C)(=O)=O)c1ccc2c(c1)OCO2	121293466	OPMZFHLCPFQUNY-UHFFFAOYSA-N	271.338	1.286	10	20	CDCD	
Cc1nc2n(n1)C[C@H](N[C@H](C)c1ccccc1O)CC2	183485245	WQHAMXDVZWAACU-ZYHUDNBSSA-N	272.352	1.958	10	20	CDCD	
COc1ccc(N(C)C[C@@H](O)COC(C)C)c(OC)c1	132071662	BDJGRTNDYBJHID-GFCCVEGCSA-N	283.368	1.926	10	20	CDCD	
Cn1cc(/C=C/C(=O)N2C[C@@H](C(=O)O)c3ccccc32)cn1	316642801	VRRSZAYDLOWIJO-KTRBRXNASA-N	297.314	1.648	10	20	CDCD	
COC[C@H](CO)NCc1cc(Br)ccc1O	234785832	CITWNFYSUKFYEH-JTQLQIEISA-N	290.157	1.252	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2CCc1cnn(C)c1	266858353	IMUYCRNSFUDLLJ-UHFFFAOYSA-N	286.379	1.928	10	20	CDCD	
Cc1ccc(C(=O)N[C@H](C)Cn2ccnc2)c(O)c1O	272527498	ABYVODMCMOJGOZ-SNVBAGLBSA-N	275.308	1.421	10	20	CDCD	
CCOC(=O)[C@@](C)(O)CN(CC)c1ccc(OC)cc1	274565473	DHWMTVXXIJKBFV-HNNXBMFYSA-N	281.352	1.836	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNCC(F)(F)CO)c1O	278473387	HWHSESUJPVNUAV-UHFFFAOYSA-N	292.238	1.026	10	20	CDCD	
CCN(C[C@@H](O)CN(C)C1CC1)c1ccc(OC)cc1	289299314	CHWRDSNGLHHIDJ-HNNXBMFYSA-N	278.396	1.977	10	20	CDCD	
Cc1cc(O)c(CN2CC(=O)NCC2(C)C)cc1C	282854560	WRPQXXIUNCIONF-UHFFFAOYSA-N	262.353	1.719	10	20	CDCD	
CCOC(=O)C[C@H](C)CNC(=O)c1c(F)ccc(O)c1O	295594624	TWRPSVVLAXQHTO-QMMMGPOBSA-N	299.298	1.556	10	20	CDCD	
CCOC[C@@H](O)CN1CCCc2cc(CN)ccc21	700831738	MKPXXZSAVBWQMG-AWEZNQCLSA-N	264.369	1.295	10	20	CDCD	
C[C@@H]1CN(C)CC[C@H]1N(C)Cc1cc2c(cc1O)OCO2	809765901	RPKJHEGOPVDXJP-DGCLKSJQSA-N	292.379	1.893	10	20	CDCD	
COc1cccc(CN2CC[C@](F)(CO)C2)c1O	802660237	FVMLIHNDWUPOMK-CYBMUJFWSA-N	255.289	1.307	10	20	CDCD	
CCCN1C[C@@H](CNC(=O)c2cc(O)cs2)CC1=O	817764832	LKAOPMMFWGLHKT-SECBINFHSA-N	282.365	1.442	10	20	CDCD	
C[C@@H](CN1CCOCC1)C(=O)N[C@H](C)c1ccccc1O	827940862	JONBRGDHIGUIFB-QWHCGFSZSA-N	292.379	1.538	10	20	CDCD	
COC(=O)CSCCC(=O)N[C@H](C)c1ccccc1O	827930466	KUGZUPXPWOMQNG-SNVBAGLBSA-N	297.376	1.866	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1ncc[nH]1	827957765	VTLVMGSXDVOMBB-UHFFFAOYSA-N	258.325	1.714	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@H]2C[C@@H]2C(=O)O)cc1F	737377342	LIFQDPMXFXNJMD-UWVGGRQHSA-N	280.299	1.229	10	20	CDCD	
COCC1(CNCc2cc(F)ccc2O)CCNCC1	841068780	VSXAIWYTTCZDLQ-UHFFFAOYSA-N	282.359	1.637	10	20	CDCD	
COc1cccc([C@@H](C)N[C@H](CO)CCF)c1O	846209686	SCWTYNNNEKLWMK-ZJUUUORDSA-N	257.305	1.772	10	20	CDCD	
CC[C@@H](COC(=O)c1ccc(C)c(O)c1O)OC	842072263	OTWWXVPOWPDMSR-VIFPVBQESA-N	254.282	1.988	10	20	CDCD	
COc1cc(O)c(CN[C@@H]2CCCNCC2)cc1OC	841056584	ADIPRXADSIRLNN-GFCCVEGCSA-N	280.368	1.641	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCCCN2)c1	843489692	RZQJCSVXCUMTEP-GWCFXTLKSA-N	278.352	1.720	10	20	CDCD	
C[C@@H]1CN(C(=O)c2cccc(O)c2O)CC2(CCC2)O1	844100161	GOFPVZPBVMOKMV-SNVBAGLBSA-N	277.320	1.881	10	20	CDCD	
NC[C@@H](NCc1cc(Cl)cc([N+](=O)[O-])c1O)C1CC1	841029652	XKVVBNMYTGNZSI-SNVBAGLBSA-N	285.731	1.781	10	20	CDCD	
O=C(NCC[C@]1(O)CCCOC1)c1cc(O)cs1	846664096	CKDIOTKYINAILL-GFCCVEGCSA-N	271.338	1.115	10	20	CDCD	
CCN[C@H](C)CNCc1ccc([N+](=O)[O-])c(OC)c1O	841063471	KFRARMVDMCFVAP-SECBINFHSA-N	283.328	1.397	10	20	CDCD	
C[C@@H]1COC[C@H]1N1C(=O)CN(Cc2ccccc2O)C1=O	925212542	SRGZCZDXKAQFJW-ZYHUDNBSSA-N	290.319	1.191	10	20	CDCD	
C[C@@H](N)[C@H]1CN(Cc2cc(Cl)cc(F)c2O)CCO1	843057087	GFUNYXHVXVLDGJ-PRHODGIISA-N	288.750	1.733	10	20	CDCD	
CCNC(=N)NCc1cc(F)c(N2CCOCC2)c(F)c1	849039699	NTTOSTCTPMMHEQ-UHFFFAOYSA-N	298.337	1.435	10	20	CDCD	
C[C@@H](NC(=O)O[C@H]1CNOC1)c1ccc(N(C)C)cc1	922051539	NECBHCZGIMSUBJ-MFKMUULPSA-N	279.340	1.443	10	20	CDCD	
C[C@H](N[C@@H]1CCCN(C)C1=O)c1cc([N+](=O)[O-])ccc1O	756638796	RUNHNBRIRPJVMY-JOYOIKCWSA-N	293.323	1.572	10	20	CDCD	
CCOc1ccc(O)c(CN[C@@H](C)C(=O)N(C)OC)c1	858320564	XQWNGCRBSZWRLR-JTQLQIEISA-N	282.340	1.289	10	20	CDCD	
CCOc1ccc(O)c(CNC[C@@]2(OC)CCOC2)c1	763480315	LVZCPWKRTVCJLE-HNNXBMFYSA-N	281.352	1.686	10	20	CDCD	
CC[C@H](N[C@@H]1COC[C@@H]1O)c1ccc(F)cc1O	866419974	KSVJAMYMWURCTM-LOWVWBTDSA-N	255.289	1.332	10	20	CDCD	
OC[C@H]1CSCCN1Cc1cccc(Cl)c1O	877780388	OWWJUCKLDTWZTE-JTQLQIEISA-N	273.785	1.955	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)C(C)(C)OC(C)=O)c1	779810980	AMTVJIYRDJEDAX-VIFPVBQESA-N	295.335	1.920	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2CCC[C@@H]2CCO)c1O	775091161	VTGRREPCHZSMEJ-LLVKDONJSA-N	296.323	1.656	10	20	CDCD	
O=C(Nc1ccc2nncn2c1)c1cc(O)cs1	782123933	IJLIZAMMUYAHFM-UHFFFAOYSA-N	260.278	1.749	10	20	CDCD	
COc1cc(C)cc(CN[C@@H](C)C[C@H](C)O)c1O	894437956	UACHTHDKCCDHPU-QWRGUYRKSA-N	253.342	1.958	10	20	CDCD	
CCOc1ccc(CN[C@H](C)c2ncnn2C)c(O)c1	788971109	GEKHPIZCNXJISO-SNVBAGLBSA-N	276.340	1.770	10	20	CDCD	
CN(C(=O)NCCc1ccc(N)cc1)[C@@H]1CCC[C@H]1O	892038194	BBQCUBDZHCJQTJ-ZIAGYGMSSA-N	277.368	1.366	10	20	CDCD	
O=C(Nn1cnc2ccccc21)c1c(F)ccc(O)c1O	789946726	NPAMFTCVKFGNPB-UHFFFAOYSA-N	287.250	1.971	10	20	CDCD	
CCOC[C@H](C(=O)OC)N(C)Cc1ccc(N(C)C)cc1	785752996	PCKVLUPQXDITQA-OAHLLOKOSA-N	294.395	1.763	10	20	CDCD	
COc1cc(C)cc(CNCCCS(C)(=O)=O)c1O	894237689	LULNVJVEPADPEE-UHFFFAOYSA-N	287.381	1.234	10	20	CDCD	
CN(CCn1cccn1)Cc1cc(F)cc(F)c1O	894021214	QJJUPGNIHCZBLP-UHFFFAOYSA-N	267.279	1.999	10	20	CDCD	
COc1ccc(CNC(=O)C(C)(C)OC(C)=O)c(O)c1	794389984	VJDCRSAIDZXVEM-UHFFFAOYSA-N	281.308	1.359	10	20	CDCD	
COc1ccc(CNC(=O)[C@H]2CSCCS2)c(O)c1	794390986	SIWIGOCJCJAQPJ-GFCCVEGCSA-N	299.417	1.866	10	20	CDCD	
CCOc1ccc(O)c(CNCc2ncnn2CC)c1	793344786	WIPJGYXEUJMHNC-UHFFFAOYSA-N	276.340	1.692	10	20	CDCD	
COc1ccc(CNC(=O)[C@H]2CCCO2)c(O)c1	794373104	GPKRQRUBGFZUCQ-GFCCVEGCSA-N	251.282	1.196	10	20	CDCD	
C[C@@]1(C(=O)NCCc2ccc(O)c(O)c2)CCCOC1	272966312	YCGBAYMKCJLODA-OAHLLOKOSA-N	279.336	1.573	10	20	CDCD	
O=C(CCc1nc2cccnc2[nH]1)NCc1ccccc1O	1321683809	VHDBZQRGKKCPRK-UHFFFAOYSA-N	296.330	1.913	10	20	CDCD	
Cc1nnc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2O)n1C	1323831822	ZHOWPVRBRGHQQV-QMMMGPOBSA-N	291.311	1.588	10	20	CDCD	
CSc1ccccc1C(=O)N1CCSC[C@H]1CO	689299766	ARMABBGBCSBUKX-SNVBAGLBSA-N	283.418	1.958	10	20	CDCD	
CN(CCCCCO)c1nnc(-c2sccc2O)n1C	1262854718	UQJZTMQWMRIWJQ-UHFFFAOYSA-N	296.396	1.848	10	20	CDCD	
C[C@@H](NC[C@@H]1CCC[C@H]1O)c1cc(C(=O)O)ccc1O	1604341370	KHFCKQUAKGOMGL-SUZMYJTESA-N	279.336	1.902	10	20	CDCD	
Nc1ccc(CN(CCC(=O)O)C[C@@H]2CCCO2)cc1	1601215547	DOAACQDJJDQMTK-AWEZNQCLSA-N	278.352	1.725	10	20	CDCD	
COC[C@@H](CN[C@H](C)c1cc(C(=O)O)ccc1O)OC	1606800030	CILAZTXTBSJCLS-MWLCHTKSSA-N	283.324	1.402	10	20	CDCD	
NC[C@]12CC[C@H]1CCN2Cc1cc(F)c(F)cc1O	1580253229	JHVVDLYWXSRJTE-IINYFYTJSA-N	268.307	1.984	10	20	CDCD	
CC[C@H](C)[C@@H](OC(=O)c1cccc(O)c1O)C(=O)O	1594926019	GOPSNSQUXCFHLW-WRWORJQWSA-N	268.265	1.754	10	20	CDCD	
CCn1ncc(C(=O)CSc2ncc(C(=O)O)s2)n1	1597950251	LMPSNHSUEPLYNS-UHFFFAOYSA-N	298.349	1.428	10	20	CDCD	
COC[C@H](NCc1ccc(N2CCCC2)cc1)C(=O)O	1599177607	QUCMTIHUHVCRPI-AWEZNQCLSA-N	278.352	1.476	10	20	CDCD	
C[C@@H](NC(=O)CCSCC(=O)O)c1ccccc1O	1599838117	SVYRWIWGNROJRX-SECBINFHSA-N	283.349	1.777	10	20	CDCD	
CC(C)C(=O)NCCNCc1cc(Cl)ccc1O	20125297	URYSIAZUNYRCMC-UHFFFAOYSA-N	270.760	1.907	10	20	CDCD	
COC[C@H](CN[C@@H](C)c1ccc(F)cc1O)OC	230672165	IUCYUJBPUAZWJP-ONGXEEELSA-N	257.305	1.843	10	20	CDCD	
CC(C)(C)C(=O)NCCNC(=O)Cc1ccc(N)cc1	154346593	PLMHXHXSRHVQLT-UHFFFAOYSA-N	277.368	1.090	10	20	CDCD	
C[C@@H]1C[C@@H](NCc2ccc(N3CCOCC3)cc2)CO1	402041759	JBOVQLRSHNDLQV-UKRRQHHQSA-N	276.380	1.790	10	20	CDCD	
CCN1C[C@H](NCc2cc(Cl)ccc2O)CC1=O	391571076	UTXJEMAUPAQGCK-LLVKDONJSA-N	268.744	1.756	10	20	CDCD	
COc1ccc(N2CCN(Cc3ncnn3C)CC2)cc1	176980015	RKACKAWTPNMVQL-UHFFFAOYSA-N	287.367	1.146	10	20	CDCD	
CCn1nccc1CNCc1cc(OC)ccc1O	119224186	WPYCIYIPVQBZEV-UHFFFAOYSA-N	261.325	1.907	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNc1ccc2nnnn2n1	301285423	LPTTWBMYHGKVPZ-UHFFFAOYSA-N	283.339	1.506	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@H]2C[C@H]3C=C[C@H]2NC3)cc1	1353449067	ZINKLGMKOYBATG-FVQBIDKESA-N	285.391	1.533	10	20	CDCD	
COc1cc(N(C)CCCC(=O)O)c([N+](=O)[O-])cc1OC	213805640	NYXKELFXRBISGE-UHFFFAOYSA-N	298.295	1.913	10	20	CDCD	
COc1ccc(N2CCN(Cc3nonc3C)CC2)cc1	265122866	KKYVWFARNNSWAD-UHFFFAOYSA-N	288.351	1.709	10	20	CDCD	
CNS(=O)(=O)[C@H]1CCCN(Cc2cccc(C)c2O)C1	362236004	CVFLTTYXKXRWBU-ZDUSSCGKSA-N	298.408	1.214	10	20	CDCD	
COCC1(O)CCN(Cc2ccc(N(C)C)c(F)c2)CC1	271160755	DHGMWQJVCPHYTG-UHFFFAOYSA-N	296.386	1.865	10	20	CDCD	
Cc1ccc(C(=O)N[C@H](C)C2=CCN(C)CC2)c(O)c1O	272909087	JIWUYKUNGUAVIF-LLVKDONJSA-N	290.363	1.786	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C1SCCS1	274894319	DMJRTMMRMFIPAX-QMMMGPOBSA-N	299.417	1.951	10	20	CDCD	
COCc1noc(COc2ccc(N(C)C)cc2)n1	281130833	IPLCHMMHYZECTJ-UHFFFAOYSA-N	263.297	1.861	10	20	CDCD	
CCOC1CC(N(C)Cc2cc3c(cc2O)OC[C@H]3O)C1	808213545	MVCQJGJBQBZPQH-KOHJWAIASA-N	293.363	1.817	10	20	CDCD	
CC[C@@H]1CN(C(=O)c2c(F)ccc(O)c2O)C[C@@H](C)O1	295357341	VVFNAMVJRWBGOV-RKDXNWHRSA-N	283.299	1.876	10	20	CDCD	
C[C@@H](NCCCc1cnn(C)n1)c1ccccc1O	293800266	UXXOFYIPRPIBJG-LLVKDONJSA-N	260.341	1.804	10	20	CDCD	
COc1ccc(O)c(CNc2cncc3ncnn23)c1	811806323	QYQIZLWBLLASND-UHFFFAOYSA-N	271.280	1.451	10	20	CDCD	
C[C@@H](NC(=O)COC1CCOCC1)c1ccccc1O	827937160	MQTKKLJBYZMAHX-LLVKDONJSA-N	279.336	1.765	10	20	CDCD	
CN(C)c1ccc(CNC[C@@]2(C)CCC(=O)N2)cc1F	835060121	JDCRROMCRCWENC-OAHLLOKOSA-N	279.359	1.650	10	20	CDCD	
C[C@@H](O)CN(CC(F)F)C(=O)c1cc(O)cs1	839787613	PQROXGHKDOCXRU-ZCFIWIBFSA-N	265.281	1.542	10	20	CDCD	
C[C@@H](NCc1cc([N+](=O)[O-])ccc1O)c1ccn(C)n1	839192650	VUCKWKIMFVKRGX-SECBINFHSA-N	276.296	1.885	10	20	CDCD	
COc1ccc(CNC(=O)[C@@H](C)NC2CC2)c(O)c1	832178041	LIRRFVBJLMRIJV-SECBINFHSA-N	264.325	1.158	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)CCn1ccccc1=O	917311226	URGVRMDOIWAPGY-UHFFFAOYSA-N	286.331	1.603	10	20	CDCD	
CNC(=O)C[C@H](C)N[C@@H](C)c1cc(F)cc(F)c1O	834899721	JSXKHLGODXKSIL-YUMQZZPRSA-N	272.295	1.846	10	20	CDCD	
COC(=O)C[C@H](C)CC(=O)NCc1ccc(O)cc1O	910946519	ONKLRBONZPEIEX-SECBINFHSA-N	281.308	1.303	10	20	CDCD	
CC(C)C[C@@H](CN)NC(=O)NCCc1ccc(N)cc1	841953424	HQZLXYCRFBCVJM-AWEZNQCLSA-N	278.400	1.484	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)CCNC1CC1	848415413	UIMIARVZYBTHFT-UHFFFAOYSA-N	275.396	1.819	10	20	CDCD	
C[C@@H]1C[C@H](CN)CN1Cc1ccc(N2CCOCC2)cc1	843056792	AEMIBZTVUVKROJ-GDBMZVCRSA-N	289.423	1.692	10	20	CDCD	
CS[C@H]1CCN(Cc2cc3c(cc2O)OC[C@H]3O)C1	840112509	DFGRXBSKPGWQLY-GXFFZTMASA-N	281.377	1.755	10	20	CDCD	
C[C@@H]1C[C@H](CN)CN1C(=O)NCc1ccc(N(C)C)cc1	841654035	LYIGJCBVUWMDQJ-TZMCWYRMSA-N	290.411	1.631	10	20	CDCD	
Cc1ccc(C(=O)N[C@H](C)c2csnn2)c(O)c1O	840535320	MGHQCIIFEFOWPG-SSDOTTSWSA-N	279.321	1.749	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H](CN)C1CC1	841828567	VMISLMIIITZJGR-HNNXBMFYSA-N	290.411	1.598	10	20	CDCD	
COc1ccc(N(C)CCN(C)C(=O)c2cn[nH]c2)cc1	846447708	WAXLCKUQXQITJV-UHFFFAOYSA-N	288.351	1.627	10	20	CDCD	
CC(C)COC(=O)COC(=O)/C=C/c1ccc(O)c(O)c1	759594174	MAIORCJUNHKWEV-GQCTYLIASA-N	294.303	1.853	10	20	CDCD	
C[C@H](O)CCNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1	759168481	ZQUVZIQPZGAPFG-RYUDHWBXSA-N	279.384	1.884	10	20	CDCD	
O=C(Cc1cc[nH]n1)NCc1cc(Cl)ccc1O	857547575	KQQALJPTJXXJPG-UHFFFAOYSA-N	265.700	1.628	10	20	CDCD	
Cc1noc(C)c1N(C)C(=O)/C=C/c1cn(C)cn1	933883663	JVCVKYMCJSHZNS-AATRIKPKSA-N	260.297	1.701	10	20	CDCD	
C[C@@H](CNCc1cc(F)ccc1O)S(C)(=O)=O	697631896	DFNONXCOMXWRHQ-QMMMGPOBSA-N	261.318	1.054	10	20	CDCD	
CN1CC(=O)N[C@@H]1c1c(O)cccc1Br	864374334	PCDHORPXQXQLKG-JTQLQIEISA-N	271.114	1.215	10	20	CDCD	
CNS(=O)(=O)CCCNCc1c(O)cccc1Cl	865707169	NYZZEJLHGYCTIC-UHFFFAOYSA-N	292.788	1.075	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)c2cncnc2)c1	760917147	APMOKQZHGCIYJK-VIFPVBQESA-N	273.292	1.682	10	20	CDCD	
CCOc1ccc(CN(C)[C@]2(CO)CCOC2)c(O)c1	862427131	UDSZFQPRRUSFPJ-HNNXBMFYSA-N	281.352	1.374	10	20	CDCD	
COC1CCN(CCNCc2ccc(C)cc2O)CC1	877157301	CRHURFIPHSWHHH-UHFFFAOYSA-N	278.396	1.901	10	20	CDCD	
Cc1nc[nH]c1C(=O)NC[C@H](N)c1ccc(N(C)C)cc1	876506956	RSPQUKIZQOVHSZ-ZDUSSCGKSA-N	287.367	1.214	10	20	CDCD	
Cc1[nH]c(C=O)cc1C(=O)NCc1ccccc1O	774066942	VPNUGQKQYODUBT-UHFFFAOYSA-N	258.277	1.771	10	20	CDCD	
CC1(O)CCC(NC(=O)/C=C\c2ccc(O)c(O)c2)CC1	779531244	VAHJSCBYKXRUND-HYXAFXHYSA-N	291.347	1.921	10	20	CDCD	
CCN(C)c1ccc(CN(C)[C@@H]2CCNC2=O)cc1	773810954	QJCNGXTXNISZRL-CQSZACIVSA-N	261.369	1.463	10	20	CDCD	
CN(C)c1ccc(Cn2cc(-c3ccnn3C)nn2)cc1	881272111	MXGOLOAJQKDBGG-UHFFFAOYSA-N	282.351	1.793	10	20	CDCD	
COc1cccc(CN2CCN(C(C)C)CC2)c1O	132266836	LWNXSYWSKMMHAU-UHFFFAOYSA-N	264.369	1.927	10	20	CDCD	
COC[C@@H](NCc1cccc(Cl)c1O)C(=O)OC	789577644	XHWODMTVHPFPLN-SNVBAGLBSA-N	273.716	1.323	10	20	CDCD	
O=C(NCCc1cccnc1)c1c(F)ccc(O)c1O	789953823	ZSRCGBJLWDNHOU-UHFFFAOYSA-N	276.267	1.604	10	20	CDCD	
O=C(COC(=O)c1cccnc1F)c1ccc(O)c(O)c1	789013028	RKYDFNOZODMRPR-UHFFFAOYSA-N	291.234	1.672	10	20	CDCD	
COc1ccc(CNC[C@@H]2CCCOC2)c(O)c1OC	892650612	ZPIJPWLAOBOTMA-NSHDSACASA-N	281.352	1.926	10	20	CDCD	
COc1ccc(CNC(=O)C[C@H]2CCCCO2)c(O)c1	794388046	NDDRRMMKMWPQHL-CYBMUJFWSA-N	279.336	1.976	10	20	CDCD	
COC(=O)N(C)CCNCc1cc(OC)ccc1O	701678873	CDFDCFJPNPNBFA-UHFFFAOYSA-N	268.313	1.189	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNC2(C)CC2)c1O	1320869679	OPRYOCQAXQFTCQ-UHFFFAOYSA-N	252.270	1.951	10	20	CDCD	
CCCn1nc(C)c(-c2ccn(CC(=O)O)c(=O)c2)c1C	1329316826	ZSKORVZPALVTEN-UHFFFAOYSA-N	289.335	1.823	10	20	CDCD	
CC(C)C(=O)NCCN[C@H](C)c1cc(F)ccc1O	94616856	FXBJJWKVROINSO-SNVBAGLBSA-N	268.332	1.954	10	20	CDCD	
COc1ccc(S(=O)(=O)Nc2ccc(O)c(C)c2)cn1	795338656	DGANARKXKDZSMO-UHFFFAOYSA-N	294.332	1.905	10	20	CDCD	
COc1cc(C)cc(CNC[C@H](O)C(C)C)c1O	1262110181	VGCAXKUNJFDMIZ-LBPRGKRZSA-N	253.342	1.816	10	20	CDCD	
CNC1(C(=O)NCc2c(O)cccc2F)CCC1	1341012157	QWHJVPNMQZDUSS-UHFFFAOYSA-N	252.289	1.290	10	20	CDCD	
CC[C@](COC)(NC(=O)c1cc(O)cs1)C(=O)O	1595194965	VJCSCHBTBHVULJ-LLVKDONJSA-N	273.310	1.063	10	20	CDCD	
CN(C)c1ccc(CNc2cncc(-c3nn[nH]n3)n2)cc1	1591032209	CWUYJGAUTABPTE-UHFFFAOYSA-N	296.338	1.335	10	20	CDCD	
C[C@H](NCC1([S@@](C)=O)CC1)c1cc(C(=O)O)ccc1O	1593247206	FGZOHADBHOLWNX-GWNMQOMSSA-N	297.376	1.652	10	20	CDCD	
CCCn1nccc1CNCc1ccc(C(=O)O)cc1O	1776850829	XEOFPDRLAJTVDH-UHFFFAOYSA-N	289.335	1.987	10	20	CDCD	
CC(C)C[C@@H](O)CNCc1cc2c(cc1O)OCO2	227442309	MEMDFSAQBNBOMK-LLVKDONJSA-N	267.325	1.618	10	20	CDCD	
O=C1CC[C@@H]2CN(Cc3cccc(Cl)c3O)CCN12	124579208	KSPWBJZBNFRFBJ-LLVKDONJSA-N	280.755	1.852	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCC2(CCOCC2)C1	279251674	IGUVQLHFCJPKHW-UHFFFAOYSA-N	277.320	1.741	10	20	CDCD	
COC[C@](C)(O)CN[C@@H](C)c1ccc(F)cc1O	382544684	FLHUNPORKQAJGL-TVQRCGJNSA-N	257.305	1.579	10	20	CDCD	
NC(=O)CC1CC(NC(=O)Nc2ccc(N)cc2)C1	718426522	VQTLOQMHZRQNEC-UHFFFAOYSA-N	262.313	1.044	10	20	CDCD	
COCC(COC)NCc1cc(OC)ccc1O	388396866	JGSXZQQRZDERLU-UHFFFAOYSA-N	255.314	1.152	10	20	CDCD	
C[C@@H]1C[C@@H](CNC(=O)Cc2ccc(N)cc2)CCO1	389140435	YCXMKGBUHFRBAC-YPMHNXCESA-N	262.353	1.743	10	20	CDCD	
C[C@H]1COCCCN1C(=O)c1cccc(O)c1O	398871910	CNXITBMOQCWHGJ-VIFPVBQESA-N	251.282	1.349	10	20	CDCD	
CN(CCN1CCNCC1)Cc1ccc(Cl)cc1O	1578472037	ZXNCHQYXKNFZAO-UHFFFAOYSA-N	283.803	1.383	10	20	CDCD	
C[C@@H](NC(=O)c1cn(C2CC2)nn1)c1ccccc1O	827956640	OATNYMDKASEQSP-SECBINFHSA-N	272.308	1.810	10	20	CDCD	
Cc1cccc(CN2CCCN(C(N)=O)CC2)c1O	179944153	WPXUKIGIDLJSDV-UHFFFAOYSA-N	263.341	1.287	10	20	CDCD	
CC[C@](C)(O)CNCc1cc([N+](=O)[O-])ccc1O	111384723	KMKUZOBRXNJTMQ-LBPRGKRZSA-N	254.286	1.551	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC[C@H](O)CSC)c1	188224500	LEQDZOKPCXRVIX-ZJUUUORDSA-N	271.382	1.775	10	20	CDCD	
COc1ccc(N2CCN(Cn3cnnc3)CC2)cc1	182568414	MESWLVOUNZEANG-UHFFFAOYSA-N	273.340	1.066	10	20	CDCD	
CCN(CC(=O)N[C@H](C)Cc1ccc(O)c(O)c1)C1CC1	186433815	BIRPISZMHUCHCR-LLVKDONJSA-N	292.379	1.629	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)c1ccc2[nH]nnc2c1	182525050	JHPQQUXVHFCFCE-UHFFFAOYSA-N	284.275	1.299	10	20	CDCD	
CCOc1cccc(CN2CC[C@@H]([C@@H](C)O)C2)c1O	180851479	YLSPQQVSTZXOFB-VXGBXAGGSA-N	265.353	1.994	10	20	CDCD	
CN(C)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1	194469033	WPWDRBILGBLKFY-UHFFFAOYSA-N	277.368	1.637	10	20	CDCD	
CC[C@@H](N)C(=O)N1CCCN(c2ccc(OC)cc2)CC1	130380894	YDGJJKGVJCYRTJ-OAHLLOKOSA-N	291.395	1.471	10	20	CDCD	
CN(C)CC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	194561480	OVPVGGXEVQICRR-UHFFFAOYSA-N	291.395	1.043	10	20	CDCD	
C[C@H](CCCO)NC(=O)NCc1ccc(N(C)C)c(F)c1	88538042	XAEGGCXAYMBVTI-LLVKDONJSA-N	297.374	1.852	10	20	CDCD	
C[C@H](CC(=O)NCCc1ccc(N)cc1)C1CCNCC1	237638648	YCTJHAMRUPEQEC-CYBMUJFWSA-N	289.423	1.953	10	20	CDCD	
CCC[C@@](C)(O)C(=O)N(C)Cc1ccccc1O	269605574	QBAJCAASPXCUIW-CQSZACIVSA-N	251.326	1.902	10	20	CDCD	
COCCCN(CCO)Cc1c(O)cccc1Cl	275962697	KVASZQQKXLXHNV-UHFFFAOYSA-N	273.760	1.876	10	20	CDCD	
CN(C)C[C@H]1CCN(C(=O)c2c(F)ccc(O)c2O)C1	276548155	JYOZZPODKLHDNB-SECBINFHSA-N	282.315	1.261	10	20	CDCD	
COc1cccc(CN2CCOC[C@@H]2[C@@H]2CCCO2)c1O	377689451	BPXKNLXAZKTAKG-KGLIPLIRSA-N	293.363	1.781	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@H]1CCc2nccn2C1	376940580	IJEIBCPXARUTST-ZDUSSCGKSA-N	285.347	1.810	10	20	CDCD	
C[C@H]1CN(Cc2cc(F)ccc2O)C[C@]2(CCOC2)O1	280241864	KOHNFGLNHMOOSU-NHYWBVRUSA-N	281.327	1.911	10	20	CDCD	
O=C(Nc1nc(-c2ccncc2)n[nH]1)C1=S=CC=C1	377468455	NUKLAOOQDZPKEK-UHFFFAOYSA-N	271.305	1.083	10	20	CDCD	
COCC[C@@H](CO)N[C@H](C)c1cc([N+](=O)[O-])ccc1O	281797542	YECDCEUIRSOAJK-ZJUUUORDSA-N	284.312	1.348	10	20	CDCD	
COC(=O)c1cnc(SCc2cnnn2C)s1	295403091	WLVLOTHICIBUMX-UHFFFAOYSA-N	270.339	1.351	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)C[C@H]1CCC(=O)N1	816889378	WFHIEDCEYOWCRT-LLVKDONJSA-N	262.309	1.019	10	20	CDCD	
COc1ccc(CN[C@@H](C(=O)O)c2ccnn2C)cc1C	819166004	JWIAQSBRUYPZOI-CQSZACIVSA-N	289.335	1.653	10	20	CDCD	
C[C@H]1CN(c2ccc(CNC[C@@H](C)O)cc2F)C[C@@H](C)O1	818967698	ZJLHGSWBBCEJJV-UPJWGTAASA-N	296.386	1.910	10	20	CDCD	
CC[C@H](NCCN1CCNCC1)c1ccc(N(C)C)cc1	817943954	SXQDJLDWJUBPFK-KRWDZBQOSA-N	290.455	1.699	10	20	CDCD	
CN(C)c1ccc([C@@H](N)CNC2CCC(O)CC2)cc1	817941491	JZRHWEDFISQYDF-BCLQGDPASA-N	277.412	1.646	10	20	CDCD	
COc1cccc(CN(C)Cc2noc(C)n2)c1O	827892099	RJVICHWURNFLIX-UHFFFAOYSA-N	263.297	1.724	10	20	CDCD	
Oc1ccccc1CNC(=S)NCCc1ccccn1	726130655	UZRDPLFQFNIFQO-UHFFFAOYSA-N	287.388	1.994	10	20	CDCD	
C[C@@H]1C[C@H](NC(=O)NCc2ccc(N(C)C)cc2)CO1	825602669	LPTJLILQERWHHS-YPMHNXCESA-N	277.368	1.729	10	20	CDCD	
O=C(O)[C@]1(NCc2cc(F)cc(F)c2O)CCSC1	904008018	ZXZOWJGGFHMDIF-LBPRGKRZSA-N	289.303	1.720	10	20	CDCD	
C[C@H]1CSC[C@H]1NC(=O)c1c(F)ccc(O)c1O	831867192	WYDGMJGZBQWTHY-POYBYMJQSA-N	271.313	1.718	10	20	CDCD	
Oc1c(CNC[C@@H](O)Cn2ccnn2)ccc2ccccc12	839181589	YVURUTNGUZNABA-CQSZACIVSA-N	298.346	1.288	10	20	CDCD	
CCOCCOCCNC(=O)c1c(F)ccc(O)c1O	900715910	CZAKVGMTJNIOIH-UHFFFAOYSA-N	287.287	1.020	10	20	CDCD	
CCOCCOC1CN(Cc2cc(F)ccc2O)C1	838993829	XNMFJMVDXWMSJQ-UHFFFAOYSA-N	269.316	1.769	10	20	CDCD	
O=C(O)CN(Cc1ccccc1O)C(=O)C1[C@@H]2CCC[C@@H]12	911485207	IAQYATHYNXMJQE-VXGBXAGGSA-N	289.331	1.852	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)[C@H]1CSCCS1	910950469	FUZVJYSJIBATOS-LLVKDONJSA-N	285.390	1.563	10	20	CDCD	
CCOC[C@@H](NC(=O)C(=O)Nc1ccc(N)cc1)C(C)C	841115133	YTAANLRGOUIGSR-CYBMUJFWSA-N	293.367	1.385	10	20	CDCD	
CCNS(=O)(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C	841569630	MSKVHJRVMBAYQE-GFCCVEGCSA-N	299.440	1.436	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CC[C@H]2C(N)=O)c1	847591372	UUFJPZPVCMYYDP-GDPRMGEGSA-N	292.335	1.090	10	20	CDCD	
CC[C@@H]1[C@H](C)CCN1C(=O)C(=O)Nc1ccc(N)cc1	841094434	YYNHWCRMRMUHGZ-ZWNOBZJWSA-N	275.352	1.854	10	20	CDCD	
CO[C@H]1CCN(C(=O)NCCc2ccc(N)cc2)C1	841956692	AYLXMIUFRCTKII-ZDUSSCGKSA-N	263.341	1.242	10	20	CDCD	
COc1ccc(N2CCN(C(=O)N(C)C)CC2)c(OC)c1	846749130	FOWPRLSPTAOZQS-UHFFFAOYSA-N	293.367	1.507	10	20	CDCD	
CCO[C@H]1COCC[C@@H]1NCc1cc([N+](=O)[O-])ccc1O	759173904	RCVNRQWUXDPKBU-JSGCOSHPSA-N	296.323	1.584	10	20	CDCD	
COCC1(N(C)C(=O)/C=C\c2ccc(O)c(O)c2)CC1	855338891	QBHDKSRTXQSXCY-XQRVVYSFSA-N	277.320	1.748	10	20	CDCD	
C[C@H](O)[C@H]1CCCN1C(=O)/C=C/c1ccc(O)c(O)c1	855870224	XEBYSTAQOZUKRY-LCMYJQKYSA-N	277.320	1.483	10	20	CDCD	
Cc1ccnc(COC(=O)c2ccc(C)c(O)c2O)n1	756175739	BDCOTHMFFIDPDD-UHFFFAOYSA-N	274.276	1.862	10	20	CDCD	
Nc1ncc2c(n1)CN(C(=O)c1cc(O)cs1)CC2	857973034	XMRRRFAGUWUHGD-UHFFFAOYSA-N	276.321	1.024	10	20	CDCD	
Nc1ccc(OCc2cn(C[C@@H]3CCC(=O)O3)nn2)cc1	864627449	FUSICKMHAYDHHW-ZDUSSCGKSA-N	288.307	1.145	10	20	CDCD	
Cc1ccc(CN(CC(N)=O)C2CCCC2)c(O)c1	876570774	NWKRCHZZEBOSHQ-UHFFFAOYSA-N	262.353	1.931	10	20	CDCD	
CCN(Cc1cc2c(cc1O)OC[C@H]2O)C[C@H]1CCOC1	768446505	KSYCRCDHKQUUSK-IAQYHMDHSA-N	293.363	1.676	10	20	CDCD	
Cc1cccc(O)c1CNCC1(OCCO)CCOCC1	877501148	JXMYASVKRYSLJM-UHFFFAOYSA-N	295.379	1.348	10	20	CDCD	
CNC(=O)[C@H]1CCC[C@@H]1NCc1cc(OC)ccc1O	776253583	YFTJGWGGUBGESR-STQMWFEESA-N	278.352	1.405	10	20	CDCD	
Cc1nc(C)c(C(=O)NCc2ccc(O)c(O)c2)o1	778913748	BYEGDSUSXNCOIN-UHFFFAOYSA-N	262.265	1.633	10	20	CDCD	
O=C(NCc1ccccc1O)c1cc(O)cc([N+](=O)[O-])c1	780452635	YOLOTYLFPKFWQQ-UHFFFAOYSA-N	288.259	1.936	10	20	CDCD	
CN(C)c1ccc(CN[C@H]2C(=O)NCC2(C)C)cc1	895316383	IFFRDAJPIBPUEU-ZDUSSCGKSA-N	261.369	1.367	10	20	CDCD	
C[C@@H]1CN(Cc2ccc(N(C)C)c(F)c2)C[C@H](CO)O1	787417112	IXWOVEGNEAZELJ-DGCLKSJQSA-N	282.359	1.473	10	20	CDCD	
Cc1ccc(CN2CC[C@H](C3OCCO3)C2)c(O)c1	896377301	HNISUMBLLCNFQU-ZDUSSCGKSA-N	263.337	1.895	10	20	CDCD	
COc1ccc(CNCCC2(CO)CC2)c(O)c1OC	894744113	VAWXTILKVCCTCI-UHFFFAOYSA-N	281.352	1.662	10	20	CDCD	
COc1cc(O)c(CN[C@H]2C[C@H](CO)C2)cc1OC	897357975	RCCHZDQBZIECJN-HOMQSWHASA-N	267.325	1.270	10	20	CDCD	
COc1ccc(CNC(=O)Cc2ncccc2F)c(O)c1	794373031	FDFHYOALPFOBQH-UHFFFAOYSA-N	290.294	1.794	10	20	CDCD	
Oc1c(Cl)cccc1CNCCO[C@H]1CCOC1	897201772	NHQZBSAXABGXTO-NSHDSACASA-N	271.744	1.941	10	20	CDCD	
COC[C@H](C)S(=O)(=O)NCc1cc(C)ccc1O	1328771764	ZOZRFLOLMWKRHK-JTQLQIEISA-N	273.354	1.155	10	20	CDCD	
C[C@@H]1CC(NC(=O)c2cccc(O)c2O)C[C@@H](C)O1	193151384	JTOFEPVLURPWLL-RKDXNWHRSA-N	265.309	1.784	10	20	CDCD	
CCOc1cccc(CN[C@@H]2COC[C@H]2C)c1O	699842012	XLDVHUQBNZLYCR-ZYHUDNBSSA-N	251.326	1.915	10	20	CDCD	
C[C@H](O)c1nnc(N(C)Cc2ccccc2O)n1C	1262899857	BOOQZFFTCHIMHW-VIFPVBQESA-N	262.313	1.210	10	20	CDCD	
COC1CC(C(=O)NCc2cccc(O)c2O)C1	1348049122	YPHLDOFQUCNVJX-UHFFFAOYSA-N	251.282	1.139	10	20	CDCD	
CC(C)OCCNC(=O)NCc1ccc(N)cc1	1357350847	KLODMLNFHIVAFV-UHFFFAOYSA-N	251.330	1.493	10	20	CDCD	
COc1cc(C)c(CNc2cnn(CC(=O)O)c2)c(O)c1	1594054113	HBNQTKPCKXIKHU-UHFFFAOYSA-N	291.307	1.602	10	20	CDCD	
CN(C)c1ccc(OCc2noc(CCC(=O)O)n2)cc1	1598330198	MJGUCWNFUOXWGF-UHFFFAOYSA-N	291.307	1.732	10	20	CDCD	
CCN1CCc2cc(CNCC[C@H](F)C(=O)O)ccc21	1776877310	LMNQTMMXDYSCHC-ZDUSSCGKSA-N	280.343	1.971	10	20	CDCD	
CC(C)[C@@H](CCO)NC(=O)Nc1ccc(N)cc1	841300960	XXUGTKNVRRBEET-GFCCVEGCSA-N	251.330	1.797	10	20	CDCD	
CCc1nn(C)cc1C(=O)NCCc1ccc(N)cc1	227544565	DJIUYUNEVZIHOZ-UHFFFAOYSA-N	272.352	1.537	10	20	CDCD	
COc1cccc(CNCCc2ccnn2C)c1O	231033388	LXFDVAXTMNSXCE-UHFFFAOYSA-N	261.325	1.467	10	20	CDCD	
CCOc1cccc(CNCC2([S@](C)=O)CC2)c1O	282498991	WMABHIUHLJGSFV-IBGZPJMESA-N	283.393	1.792	10	20	CDCD	
COCCS(=O)(=O)N[C@H](C)c1ccccc1O	867834102	LIBSPTXEIWWSJC-SECBINFHSA-N	259.327	1.019	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)CNC(=O)OC)cc1	55446555	NXFUISDQZNMZTL-UHFFFAOYSA-N	293.367	1.505	10	20	CDCD	
CCOc1ccc(O)c(CN(C)CC(=O)NC(C)C)c1	120282909	VDBJJOVLMBEYEF-UHFFFAOYSA-N	280.368	1.747	10	20	CDCD	
O=C1NCCCC[C@H]1NCc1cccc(Cl)c1O	124697066	KWIYSYOKMSDLHF-LLVKDONJSA-N	268.744	1.804	10	20	CDCD	
O=C(O)[C@H]1CN(Cc2c(O)cccc2Cl)CCO1	128828307	TZVMQOOBCZEODI-LLVKDONJSA-N	271.700	1.331	10	20	CDCD	
COc1cccc(CNC(=O)c2nnc(C)s2)c1O	183334777	HUTOSDZBKLZZSW-UHFFFAOYSA-N	279.321	1.491	10	20	CDCD	
CSCCCNC(=O)NCc1ccccc1O	76977832	QBJHIJJFJOTVAJ-UHFFFAOYSA-N	254.355	1.945	10	20	CDCD	
CC(=O)NCc1ccc(N2CCSCC2)cc1	48607682	KDHAHWWURFGNQA-UHFFFAOYSA-N	250.367	1.876	10	20	CDCD	
NCC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	237981766	RYNIVZSOMFBROM-SNVBAGLBSA-N	299.321	1.332	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2CCSCC2)c1O	278269937	RKMNUCLNYBBFRM-UHFFFAOYSA-N	284.337	1.858	10	20	CDCD	
CC[C@@H](C)N(CC(=O)OC)C(=O)c1cccc(O)c1O	297099694	ZZPBMSRAWSJMHV-SECBINFHSA-N	281.308	1.512	10	20	CDCD	
CC(=O)C(=O)Cn1cnc2cc(Cl)ccc2c1=O	808017653	AGWKBCRICATUPD-UHFFFAOYSA-N	264.668	1.208	10	20	CDCD	
COC(=O)c1cnc(SC[C@@H](O)COC(C)C)s1	295326102	OPOWFAACAKNTJO-QMMMGPOBSA-N	291.394	1.808	10	20	CDCD	
Cc1cc(O)c(CNCC2(O)CCN(C)CC2)cc1Cl	825303404	HPEZEUFQSWTECI-UHFFFAOYSA-N	298.814	1.900	10	20	CDCD	
Cc1cc(O)c(CN2C[C@H](C)O[C@@H](CO)C2)cc1Cl	825651413	IEZYJFVMLKVCPS-CMPLNLGQSA-N	285.771	1.936	10	20	CDCD	
CNC(=O)C[C@@H](C)N[C@@H](C)c1cc([N+](=O)[O-])ccc1O	834901694	YCZCGKVJYOOELX-BDAKNGLRSA-N	281.312	1.476	10	20	CDCD	
COC(=O)N1CCC(C(=O)NCc2ccccc2O)CC1	830526639	PNCHJYNRJYRBIE-UHFFFAOYSA-N	292.335	1.487	10	20	CDCD	
CCC[C@H](O)CCNC(=O)c1ccc(C)c(O)c1O	832663069	VKERKPZGGVADIZ-JTQLQIEISA-N	267.325	1.687	10	20	CDCD	
C[C@@H]1C[C@@H](C)[C@@H](C(=O)NCc2ccc(O)cc2O)O1	910946535	OYJLHKDCKOSVRK-KKFJDGPESA-N	265.309	1.528	10	20	CDCD	
COCC[C@H](C)CNC(=O)c1c(F)ccc(O)c1O	839812377	ZKBWFLCNTWQSEP-QMMMGPOBSA-N	271.288	1.639	10	20	CDCD	
CCOCCO[C@@H](C)C(=O)NCc1ccc(O)cc1O	910951318	DYWFIOUDIWQLCI-JTQLQIEISA-N	283.324	1.156	10	20	CDCD	
C[C@@H]1C[C@@H](CNC[C@@H](N)c2ccc(N(C)C)cc2)CCN1	841044501	ZBWXJURWOONIOP-JKIFEVAISA-N	290.455	1.730	10	20	CDCD	
NCCCOC1CCN(Cc2cccc(F)c2O)CC1	843056245	FSKZZVQLRRIAQU-UHFFFAOYSA-N	282.359	1.861	10	20	CDCD	
OC[C@@H](NCc1ccc2c(c1)CCO2)[C@H]1CCCOC1	840964304	YXGHSNGCLIWNBP-LSDHHAIUSA-N	277.364	1.499	10	20	CDCD	
COc1ccc(CNC(=O)C2(N(C)C)CC2)c(O)c1	846950960	SCTLHHCSCLNCCF-UHFFFAOYSA-N	264.325	1.111	10	20	CDCD	
CN(C[C@@H]1CCC[C@H]1O)C(=O)NCCc1ccc(N)cc1	841956570	CBPCMNGLZMPJCE-DZGCQCFKSA-N	291.395	1.614	10	20	CDCD	
CN(C)c1ccc(CNC(=O)COC(F)(F)F)cc1	929406826	YMTPKIQGEQJNNO-UHFFFAOYSA-N	276.258	1.905	10	20	CDCD	
C[C@H](NC(=O)NC[C@@H]1CCN1C)c1ccc(N(C)C)cc1	922055266	OGTAQPLCLBKDRX-WFASDCNBSA-N	290.411	1.817	10	20	CDCD	
COc1ccc(O)c(CNC(=O)NCCC[C@H](C)CO)c1	759439884	WDNIQAYEBKJKLZ-NSHDSACASA-N	296.367	1.609	10	20	CDCD	
CC1CCN(C[C@H](C)NC(=O)c2cccc(O)c2O)CC1	855899635	QRAJYYINULEFKQ-LBPRGKRZSA-N	292.379	1.948	10	20	CDCD	
COc1ccc(N(C)Cc2cn(C)nn2)cc1OC	761654026	OSFOHYIILWEYOI-UHFFFAOYSA-N	262.313	1.469	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2C[C@@H]3C[C@H]2CN3)c1O	866679715	VRWRGSWQYBRHGQ-RYUDHWBXSA-N	264.300	1.280	10	20	CDCD	
COc1cccc(O)c1CN[C@@H](C)c1noc(C)n1	1117600706	MLYPPMOXJSSFHV-QMMMGPOBSA-N	263.297	1.943	10	20	CDCD	
COCCN(CCC(=O)OC)Cc1cc(OC)ccc1O	775701456	XMHGFJFYENSXFK-UHFFFAOYSA-N	297.351	1.412	10	20	CDCD	
CN1C(=O)C(=Cc2cc(F)cc(Cl)c2)C(=O)N(C)C1=O	776722023	MCYIDUGMTRHMNY-UHFFFAOYSA-N	296.685	1.913	10	20	CDCD	
CCOC1CCN(C(=O)NCc2ccc(N)cc2)CC1	1120584443	JGXXFVSBROUWTQ-UHFFFAOYSA-N	277.368	1.979	10	20	CDCD	
C[C@@H]1CCNC(=O)[C@@H]1NCc1cc(F)cc(F)c1O	883111952	UTEOEVOQPWCEBB-RDDDGLTNSA-N	270.279	1.285	10	20	CDCD	
Cc1nnc(NCc2ccc(N3CCN(C)CC3)cc2)o1	777505227	NAVPTNKJGFODMW-UHFFFAOYSA-N	287.367	1.742	10	20	CDCD	
C[C@H](C(=O)OCC(=O)c1ccc(O)c(O)c1)C1CC1	783982630	VZRAEJKVXHZNLM-QMMMGPOBSA-N	264.277	1.870	10	20	CDCD	
COCCO[C@H]1CCN(C(=O)c2cc(O)cs2)C1	782057538	CMVZMOVHQXTYCG-JTQLQIEISA-N	271.338	1.331	10	20	CDCD	
COc1ccc(CN2CCNC(=O)C[C@@H]2C)c(O)c1OC	894491359	GRNJLPJPGUXZPY-JTQLQIEISA-N	294.351	1.120	10	20	CDCD	
CC[C@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)C(=O)O	780490567	ZBKHEUBUQKEUGE-NSHDSACASA-N	297.330	1.554	10	20	CDCD	
COc1cc(C)cc(CN2C[C@H]3C[C@@]3(CO)C2)c1O	894533405	IRGIQDVGVLURSM-DOMZBBRYSA-N	263.337	1.523	10	20	CDCD	
COc1ccc(CN2C[C@@H](O)C(C)(C)C2)c(O)c1OC	894125466	FLXHMOOMBFJFKI-GFCCVEGCSA-N	281.352	1.612	10	20	CDCD	
COc1ccc(CN2C[C@H](C)N(C)C[C@@H]2C)c(O)c1OC	893669270	LSPGNJZXLQRISI-RYUDHWBXSA-N	294.395	1.934	10	20	CDCD	
CN(C)c1ccc(CNC[C@@H]2COCO2)cc1F	894871407	DQBTVXBYIWIWME-LLVKDONJSA-N	254.305	1.354	10	20	CDCD	
COc1ccc(CNC(=O)c2ocnc2C)c(O)c1	794373567	KELVJEYEVWLVTB-UHFFFAOYSA-N	262.265	1.627	10	20	CDCD	
CCNC(=O)[C@@H](C)NCc1c(O)cccc1Cl	83551507	XTIWPHJBLGZFEL-MRVPVSSYSA-N	256.733	1.660	10	20	CDCD	
Cc1ccc(O)c([C@H](C)NCC(C)(C)C(N)=O)c1	186220206	AKXVYDLARPKCRD-JTQLQIEISA-N	250.342	1.863	10	20	CDCD	
CCc1cccc(CN2C[C@H](C)S(=O)(=O)[C@@H](C)C2)c1O	692116085	QYCCLXOVCWKOPA-RYUDHWBXSA-N	297.420	1.962	10	20	CDCD	
COc1ccc(N2CCCN(Cc3nc[nH]n3)CC2)cc1	1328398054	GMLLKSJYLGYFNX-UHFFFAOYSA-N	287.367	1.526	10	20	CDCD	
CS(=O)(=O)CCCCN[C@H]1CCc2cccc(O)c21	692838635	KNSBEDRLVAHVIA-LBPRGKRZSA-N	283.393	1.794	10	20	CDCD	
COC(=O)[C@H]1C[C@@H](C(=O)NCc2cc(Cl)ccc2O)C1	1353726026	TWIQJFWDLYMRDJ-DTORHVGOSA-N	297.738	1.861	10	20	CDCD	
COC(=O)c1ccnc(NCc2ccc(N(C)C)cc2)n1	1354062788	YKEBHRRRKNWOPT-UHFFFAOYSA-N	286.335	1.941	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1CCC[C@@H]1C(=O)O	1608288419	SFVWZBIQWPFMBW-KKSDUGGKSA-N	291.303	1.481	10	20	CDCD	
C[C@@H](CCCN)N[C@@H](C)c1cc(C(=O)O)ccc1O	1604131659	BJOVOMYTAGULDJ-UWVGGRQHSA-N	266.341	1.868	10	20	CDCD	
CC[C@H](C(=O)O)N(C)Cc1cc2c(cc1O)OC[C@H]2O	1589440815	AKTQXPZNSLVMBN-ZYHUDNBSSA-N	281.308	1.113	10	20	CDCD	
COC[C@H](NCc1cc(Cl)ccc1O)C(=O)O	1599177505	PJDYZGWOXOTYPT-VIFPVBQESA-N	259.689	1.235	10	20	CDCD	
CC(C)c1ccc(O)c(CN2C[C@H](O)C[C@H]2C(=O)O)c1	1591973610	DIKQIMNPADNBOY-OLZOCXBDSA-N	279.336	1.535	10	20	CDCD	
COc1cc(C)c(CN(C)[C@H](C)C(=O)O)c(O)c1	1599391461	YJKXSOIDDLXSBD-SECBINFHSA-N	253.298	1.614	10	20	CDCD	
CC(C)(O)CNC(=O)NCCCSc1nccs1	154618329	BPQVVYSCCQYOOB-UHFFFAOYSA-N	289.426	1.695	10	20	CDCD	
Oc1cc2c(cc1CNCC1=CCCOC1)OCO2	288473107	PCUMBJOCEFYIOD-UHFFFAOYSA-N	263.293	1.557	10	20	CDCD	
C[C@@H]1[C@H](N(C)C)CCN1C(=O)c1cccc(O)c1O	312049303	WMBICONETCZDRN-MWLCHTKSSA-N	264.325	1.262	10	20	CDCD	
COCCN(C)CCN[C@@H](C)c1cc(F)ccc1O	94618131	MBWQKLDCERATDH-NSHDSACASA-N	270.348	1.760	10	20	CDCD	
COc1cccc(CN2C[C@@H](C)C[C@@H](C(=O)O)C2)c1O	399011522	RPRRUHRAPSFDMR-CMPLNLGQSA-N	279.336	1.943	10	20	CDCD	
CN(Cc1c(O)cccc1Cl)[C@@H]1CCNC1=O	770381713	PIXVYZOBWXODCJ-SNVBAGLBSA-N	254.717	1.366	10	20	CDCD	
CN1CCCc2cc(CNC(=O)c3ccc(=O)[nH]c3)ccc21	58769446	ICTYBWGOYVIFSX-UHFFFAOYSA-N	297.358	1.687	10	20	CDCD	
CCn1cc(NC(=O)c2ccc(C)c(O)c2O)cn1	181960380	YMGIELYRJJMCNR-UHFFFAOYSA-N	261.281	1.875	10	20	CDCD	
COc1ccc(O)c(CN2CC[C@@H](S(C)(=O)=O)C2)c1	282826359	UNRAXHOSJFNRKH-GFCCVEGCSA-N	285.365	1.020	10	20	CDCD	
Cc1ccc(C(=O)N(C)CC2CCN(C)CC2)c(O)c1O	182380541	BDFHVNDVYAQXGA-UHFFFAOYSA-N	292.379	1.820	10	20	CDCD	
CC(C)N1C[C@@H](NC(=O)Nc2ccc(N)cc2)CC1=O	217287828	CQKGWRDGTSFNAF-LBPRGKRZSA-N	276.340	1.400	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc(F)n1	186424533	QOGWFZCIKOVJID-VIFPVBQESA-N	290.294	1.993	10	20	CDCD	
C[C@@H](NCC(C)(C)C(N)=O)c1ccc(F)cc1O	186220280	KSDDYCNXMATTHO-MRVPVSSYSA-N	254.305	1.693	10	20	CDCD	
O=C(NCc1ccc(N2CCCC2)cc1)N1CCOCC1	31091074	VXODLUPBVZVOAS-UHFFFAOYSA-N	289.379	1.829	10	20	CDCD	
O=C(O)[C@@H]1COCCN1Cc1c(O)cccc1Cl	128833586	VBNRYWDLUCZJMT-JTQLQIEISA-N	271.700	1.331	10	20	CDCD	
CN(CC(=O)NCC(F)(F)F)c1ccc2c(c1)OCO2	121385032	CNZBDPNPRPJFNU-UHFFFAOYSA-N	290.241	1.530	10	20	CDCD	
COc1cccc(CN2C[C@@H](CN)C[C@@H]2C)c1O	216050046	YPTGOKSRGHVFJK-WDEREUQCSA-N	250.342	1.570	10	20	CDCD	
COCCC(=O)N1CCN(c2ccc(OC)c(F)c2)CC1	84814612	BANJIOMROPIBOD-UHFFFAOYSA-N	296.342	1.519	10	20	CDCD	
CC(=O)N[C@H]1CCN(Cc2cccc(Cl)c2O)C1	228356327	RAZDHUFKNFCEHG-NSHDSACASA-N	268.744	1.756	10	20	CDCD	
COC(=O)C[C@@H]1CN(Cc2ccc(N(C)C)cc2)CCO1	93458165	QQGCYVOTUSICNL-OAHLLOKOSA-N	292.379	1.517	10	20	CDCD	
CNCCCC(=O)NCc1ccc(N(C)C)cc1C	237180632	VVSJZWKRTDEDOF-UHFFFAOYSA-N	263.385	1.677	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](O)c1cccnc1	264750975	SLZRIGWBGKLCPR-INIZCTEOSA-N	299.374	1.840	10	20	CDCD	
COc1ccc(N2CCCN([C@H]3CCOC3=O)CC2)cc1	363213433	UYXRQMOVMGTJHM-HNNXBMFYSA-N	290.363	1.523	10	20	CDCD	
CCN(CC)c1ccc(CN(C)CCC(N)=O)cc1	274101238	SRUVZFPPMGADBK-UHFFFAOYSA-N	263.385	1.840	10	20	CDCD	
CCOc1ccc(O)c(CN2C[C@@H](O)[C@@H](CC)C2)c1	271377538	RBOIQEVTBPTTIP-XHDPSFHLSA-N	265.353	1.994	10	20	CDCD	
Cc1ccc(C(=O)NCCC2(O)CCC2)c(O)c1O	285636828	FKIRVMUDASACOI-UHFFFAOYSA-N	265.309	1.441	10	20	CDCD	
COc1ccc(N(C)C[C@H]2CCS(=O)(=O)C2)cc1F	280191213	ZXMDMTBDBBWMAW-SNVBAGLBSA-N	287.356	1.705	10	20	CDCD	
COc1cccc(CN2C[C@H](O)C(C)(C)C2)c1O	280516917	QQKXQKXAMCPUPY-LBPRGKRZSA-N	251.326	1.604	10	20	CDCD	
CC(C)[C@H](O)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	291600795	FHDMFWHBKLYXTB-RNCFNFMXSA-N	267.325	1.162	10	20	CDCD	
CNS(=O)(=O)CCN[C@H](C)c1c(C)cc(C)cc1O	815619235	HHJSGJQEYCEDRI-LLVKDONJSA-N	286.397	1.209	10	20	CDCD	
CS(=O)(=O)CCNCc1ccc(N2CC=CC2)cc1	819095047	SPKKJVZANDJPOT-UHFFFAOYSA-N	280.393	1.197	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)Cc1ncc[nH]1	829239954	WRMIOHFDCHLFDE-UHFFFAOYSA-N	286.335	1.444	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2cnn3cccnc23)c1	734018670	BJRFQPNMDUNLJD-UHFFFAOYSA-N	298.302	1.374	10	20	CDCD	
CCOc1cccc(CNC[C@@H](CC)C(=O)O)c1O	903704210	FFIVGYYYTLKJHS-SNVBAGLBSA-N	267.325	1.991	10	20	CDCD	
C[C@@H]1COCCN1CCN[C@@H]1CCc2cccc(O)c21	834566322	JTMJIDFZIQWFNI-TZMCWYRMSA-N	276.380	1.690	10	20	CDCD	
COc1ccc(CNC(=O)[C@@H]2C[C@@]23CCNC3)c(O)c1	832178605	TZNDFWZMJYFOSF-SWLSCSKDSA-N	276.336	1.017	10	20	CDCD	
COCCNCC(=O)NCc1c(O)ccc2c1CCCC2	830597394	GRJNZKMUBXDLHE-UHFFFAOYSA-N	292.379	1.123	10	20	CDCD	
CN(CCCC(=O)O)Cc1ccc(N2CCOCC2)cc1	734844146	WAFJQVUVVPPPBS-UHFFFAOYSA-N	292.379	1.820	10	20	CDCD	
Cn1cccc(NC(=O)/C=C\c2ccc(O)c(O)c2)c1=O	588405106	PUBFZRKWMFDGOB-ALCCZGGFSA-N	286.287	1.448	10	20	CDCD	
Cc1ccc(C(=O)NCc2ccc(N(C)C)c(F)c2)nn1	839608386	SRPRKTQKNGHYBL-UHFFFAOYSA-N	288.326	1.920	10	20	CDCD	
Cc1cc(C)c(O)c(CN2CC[C@@H]3COC(=O)N[C@H]3C2)c1	842644248	UGGUFTTUGKUNCS-OCCSQVGLSA-N	290.363	1.939	10	20	CDCD	
COc1cc(O)c(CN2CC[C@H]([C@H](C)N)C2)cc1OC	843057190	GMMRDZCNQKGAGY-QWRGUYRKSA-N	280.368	1.579	10	20	CDCD	
Cc1cc(O)c(CN2CC[C@@H](N3CCNCC3)C2)cc1C	843123643	UCVXPVKFIAVALC-MRXNPFEDSA-N	289.423	1.489	10	20	CDCD	
O=C(c1cc(O)cs1)N1CC[C@H](CN2CCOCC2)C1	743706549	XOSNGYLTKXDGCB-LLVKDONJSA-N	296.392	1.248	10	20	CDCD	
Nc1ccc(CCN[C@@H]2CC[C@H]3CNC[C@@H]3C2)cc1	843126095	NHXJRIRYBORWJD-OFQRWUPVSA-N	259.397	1.789	10	20	CDCD	
C[C@H](NCc1cc2c(cc1O)OCO2)[C@@H](O)C(F)(F)F	865712220	YBMXLDKPVOVWLL-UPONEAKYSA-N	293.241	1.522	10	20	CDCD	
COc1ccc(O)c([C@H](C)N[C@H](CO)C2CCOCC2)c1	757657728	FSUHJXKGYHPCJV-XHDPSFHLSA-N	295.379	1.839	10	20	CDCD	
CNC[C@@H](C)NC(=O)N(C)Cc1ccc(N(C)C)cc1	851682011	SOCFXNKPSMWVFP-GFCCVEGCSA-N	278.400	1.502	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)C1(F)CCOCC1	866597298	QCRVLMBIADCWQH-UHFFFAOYSA-N	267.300	1.869	10	20	CDCD	
CCS(=O)(=O)C[C@H](C)NCc1c(C)cccc1O	877028774	DCYGBVSGFFTWON-NSHDSACASA-N	271.382	1.613	10	20	CDCD	
CC(=O)N1CCN(Cc2cc(Cl)cc(F)c2O)CC1	775639356	VLNFHFZMGSPIBN-UHFFFAOYSA-N	286.734	1.849	10	20	CDCD	
COC1(CO)CCN(C(=O)c2cc(O)cs2)CC1	774936154	JOKFEQHVQACQTN-UHFFFAOYSA-N	271.338	1.067	10	20	CDCD	
Cc1nnc([C@@H](C)OC(=O)c2cccc(O)c2O)o1	776278647	CODXEOOZVPQHQR-ZCFIWIBFSA-N	264.237	1.707	10	20	CDCD	
COc1ccc(O)c([C@H](C)NCCCC(=O)NC(N)=O)c1	775365596	WTDGWBIMMBPASK-VIFPVBQESA-N	295.339	1.027	10	20	CDCD	
C[C@@H](NCCCn1cncn1)c1c(O)cccc1F	886572967	LZLWADZOBTZJPN-SNVBAGLBSA-N	264.304	1.864	10	20	CDCD	
CN(C[C@H]1CCOC1)C(=O)NCc1ccc(N)cc1	1120591985	OCBSDGKRMGRREU-GFCCVEGCSA-N	263.341	1.447	10	20	CDCD	
O=C1[C@@H](NCc2cc(F)cc(F)c2O)C[C@@H]2CCCCN12	883140064	IGVCBURYFLIZLV-AAEUAGOBSA-N	296.317	1.913	10	20	CDCD	
COc1ccc(CNC[C@H](C)N(C)C)c(O)c1OC	893344052	KNBKAZFKESOOPK-JTQLQIEISA-N	268.357	1.449	10	20	CDCD	
COc1ccc(CNC[C@@H](O)C2CCC2)c(O)c1OC	894775856	FLVOHQYLYZVHMB-GFCCVEGCSA-N	281.352	1.660	10	20	CDCD	
COc1cc(C)cc(CNCCC[S@@](C)=O)c1O	894284233	KWRSPBRLLXDHSY-GOSISDBHSA-N	271.382	1.567	10	20	CDCD	
Nc1ccc(CCNC(=O)N2CC[C@@H](CF)C2)cc1	892039191	ROSXUTGHPSZVRP-LBPRGKRZSA-N	265.332	1.812	10	20	CDCD	
COc1cc(C)cc(CN[C@H](C)[C@@H]2CN(C)CCO2)c1O	894345974	NYLHMGAQLDOSGS-DOMZBBRYSA-N	294.395	1.518	10	20	CDCD	
CCNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	891947879	MEFVPYDQRUCYRV-AWEZNQCLSA-N	278.400	1.674	10	20	CDCD	
COc1ccc(CNC(=O)[C@H](O)CCSC)c(O)c1	794386807	BLYUYZVSKHWMTN-LLVKDONJSA-N	285.365	1.131	10	20	CDCD	
CCN(CC(=O)NC)Cc1c(O)ccc(Cl)c1F	792162357	IDEVSBIWUOUIPY-UHFFFAOYSA-N	274.723	1.753	10	20	CDCD	
CC[C@@H]1CN(Cc2cc3c(cc2O)OC[C@@H]3O)CCCO1	799163876	OAMDSFCUXKIHLJ-DOMZBBRYSA-N	293.363	1.819	10	20	CDCD	
COc1ccc(CNC(=O)c2cnn3ccccc23)c(O)c1	794378090	BZOXZPMFYHTZLS-UHFFFAOYSA-N	297.314	1.979	10	20	CDCD	
C[C@H](NCc1cc(Cl)ccc1O)C(=O)N(C)C	36794323	UOIYPQZQYGHRIV-QMMMGPOBSA-N	256.733	1.612	10	20	CDCD	
CCCN(Cc1ccccc1O)[C@@H](CC)C(N)=O	76074296	INRFVUMHANGXII-LBPRGKRZSA-N	250.342	1.868	10	20	CDCD	
O=C(NCc1ccccc1O)[C@@H]1CCn2ccnc2C1	749223798	PMUKQNDXKLOEGW-LLVKDONJSA-N	271.320	1.468	10	20	CDCD	
NC1(CNC(=O)NCCCSc2nccs2)CC1	1338568361	WZBNTMHOWOXEDJ-UHFFFAOYSA-N	286.426	1.416	10	20	CDCD	
CCOc1cccc(CNC[C@H]2C[C@@H](O)C2)c1O	720939672	JQABXZIILAGGGZ-KLPPZKSPSA-N	251.326	1.651	10	20	CDCD	
Cc1ncccc1C(=O)NCCc1ccc(O)c(O)c1	768901350	ZTGMYTKUOAPEFI-UHFFFAOYSA-N	272.304	1.774	10	20	CDCD	
OCCNC1CCN(Cc2c(O)cccc2Cl)CC1	686281339	FPWCECFBIMJKOK-UHFFFAOYSA-N	284.787	1.592	10	20	CDCD	
C[C@](CO)(NCc1ccc(N2CCCC2)cc1)C(=O)O	1604194435	CSXDRRKSJKJPMZ-OAHLLOKOSA-N	278.352	1.212	10	20	CDCD	
C[C@@H](CN(C(=O)c1cc(O)cs1)C1CC1)C(=O)O	1592562977	YBVFVRQOUSTBIU-ZETCQYMHSA-N	269.322	1.779	10	20	CDCD	
CN(C)c1ccc(CN2C[C@H](C(=O)O)OC(C)(C)C2)cc1	1777039366	KTYLZPYWEOHQKX-CQSZACIVSA-N	292.379	1.817	10	20	CDCD	
O=C(O)CCCCNCc1ccc(N2CC[C@@H](O)C2)cc1	1777639155	OPFONVXAGZIULO-OAHLLOKOSA-N	292.379	1.602	10	20	CDCD	
CCCS(=O)(=O)N[C@@H](C)c1cc(OC)ccc1O	151306762	TXMYVDSVJNLHMV-VIFPVBQESA-N	273.354	1.791	10	20	CDCD	
CSCCNC(=O)NCCc1ccc(N)cc1	841774038	BBQWZUIKYYRWII-UHFFFAOYSA-N	253.371	1.474	10	20	CDCD	
O=C(O)[C@@H]1CCCN1Cc1cc(F)cc(F)c1O	708076919	YTHOGKBNZQVKBM-JTQLQIEISA-N	257.236	1.719	10	20	CDCD	
Cc1ccc([C@H](C)N[C@@H]2COCC[C@H]2O)c(O)c1	710879026	OZGQVMSZGSQXTE-CYZMBNFOSA-N	251.326	1.501	10	20	CDCD	
CC(C)NC(=O)[C@H](C)N[C@H]1CCc2cccc(O)c21	381947876	ANNGUHRDPUEGJA-JQWIXIFHSA-N	262.353	1.882	10	20	CDCD	
Cc1ccc([C@@H](C)NCc2nnc(C)n2C)c(O)c1	393227095	YVKYXFLDIJDLKQ-SNVBAGLBSA-N	260.341	1.988	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)NCC(=O)N(C)C	66697752	JAACLXNZFOIADK-UHFFFAOYSA-N	293.367	1.402	10	20	CDCD	
Cc1cc(C(=O)NCCC(N)=O)c(C)n1-c1ccccc1	173017642	KMMJWEVXGYACFE-UHFFFAOYSA-N	285.347	1.699	10	20	CDCD	
Cc1ccc(C(=O)NCCc2cccnc2)c(O)c1O	181843827	BITIPSSWMKIFDP-UHFFFAOYSA-N	272.304	1.774	10	20	CDCD	
COc1cccc(CN2C[C@@H](CN)C[C@H]2C)c1O	216050002	YPTGOKSRGHVFJK-GHMZBOCLSA-N	250.342	1.570	10	20	CDCD	
O=S1(=O)CC[C@@H](CNCc2cccc(Cl)c2O)C1	124683075	MELKZVBDSMNTSW-VIFPVBQESA-N	289.784	1.570	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)[C@@H]1C[C@]12CCOC2	363799278	SKDZKIJRHSDCAZ-NHYWBVRUSA-N	277.320	1.183	10	20	CDCD	
Cc1ccc(C(=O)NCC2CCOCC2)c(O)c1O	182274040	WJLRAWUWTGLVLJ-UHFFFAOYSA-N	265.309	1.563	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCOC	48730300	PCISKBKMADSEEC-UHFFFAOYSA-N	279.384	1.931	10	20	CDCD	
Cc1ccc(O)c(CNC[C@H]2CCCS(=O)(=O)C2)c1	290206271	VIGJZUIBYMSUJD-GFCCVEGCSA-N	283.393	1.615	10	20	CDCD	
CCN(C)C(=O)CNCc1ccc(OC)c(C)c1	229522743	LJVRDWILGZLSOL-UHFFFAOYSA-N	250.342	1.572	10	20	CDCD	
CO[C@@H](C)CNC(=O)NCc1ccc2c(c1)CCCN2C	190415422	ZVKLBQGXBBAESE-LBPRGKRZSA-N	291.395	1.903	10	20	CDCD	
CCOc1cccc(CN2CCNC(=O)C2(C)C)c1O	93084514	FXGKIYBQAMIIRF-UHFFFAOYSA-N	278.352	1.501	10	20	CDCD	
COc1cccc(CNC(=O)N[C@H](C)[C@@H]2CCOC2)c1O	266793128	NAMKMQPLUUTAKI-ZYHUDNBSSA-N	294.351	1.625	10	20	CDCD	
Cc1cc(CC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)n[nH]1	273208477	SMIQQTCMBYUEFJ-VIFPVBQESA-N	289.335	1.419	10	20	CDCD	
CC[C@@H](NCCCOCCO)c1ccc(F)cc1O	285905470	BNEGWVCXDOQYLA-CYBMUJFWSA-N	271.332	1.971	10	20	CDCD	
CCCN(CC)CCNC(=O)c1c(F)ccc(O)c1O	295463319	YSIQHUBADMEMCM-UHFFFAOYSA-N	284.331	1.699	10	20	CDCD	
O=C(NC[C@@H]1CC[C@H](O)C1)c1c(F)ccc(O)c1O	295046636	AIALCIJLRBDEQM-SFYZADRCSA-N	269.272	1.128	10	20	CDCD	
CC(=O)C(=O)COC(=O)c1cc2ccccc2c(O)n1	808490807	HBDAXUVTAJWNSK-UHFFFAOYSA-N	273.244	1.255	10	20	CDCD	
C[C@H]1CCC[C@]1(O)CNCc1cc([N+](=O)[O-])ccc1O	292857102	ALGZNEAQOGRENY-HZMBPMFUSA-N	280.324	1.941	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)NC2CCNCC2)c1	817935101	GNCYGQMPGRNBET-JTQLQIEISA-N	278.352	1.581	10	20	CDCD	
COC[C@H](C)[C@H](C)C(=O)NCCc1ccc(O)c(O)c1	812536365	ZHRODDWLUBYGGA-QWRGUYRKSA-N	281.352	1.675	10	20	CDCD	
CN(CCC(=O)O)Cc1cc(Cl)cc([N+](=O)[O-])c1O	820586147	NAGKMJJNFICURE-UHFFFAOYSA-N	288.687	1.860	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)C[C@@H]2CCCN2)c1	828667136	MWQVZAVVJYAZHJ-QWRGUYRKSA-N	278.352	1.720	10	20	CDCD	
CCN(CC)c1ccc(CN(C)C(=O)CCN)cc1	826020411	UIHUNRDKUKUVIO-UHFFFAOYSA-N	263.385	1.840	10	20	CDCD	
COc1cccc(CNC(=O)NCCOCCF)c1O	824325894	UWXUZPVDPZWAIF-UHFFFAOYSA-N	286.303	1.186	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)[C@H]2CCN2)cc1	827341032	QNFBSSJWBOZQFX-CQSZACIVSA-N	261.369	1.511	10	20	CDCD	
O=C(NCCOCC(F)(F)F)c1cc(O)cs1	732266455	BPRXAQBYZZXMRD-UHFFFAOYSA-N	269.244	1.762	10	20	CDCD	
O=C(NCc1cc(Cl)ccc1O)[C@H]1C[C@H]1C(=O)O	911328810	BBKJUUXYVHQRRL-DTWKUNHWSA-N	269.684	1.383	10	20	CDCD	
CCOc1ccc(O)c(CN(C)CC(C)(C)N)c1	849350299	NDLDLCYMPXGGQQ-UHFFFAOYSA-N	252.358	1.960	10	20	CDCD	
COc1ccc(O)c(CN[C@@H](CN)C(C)(C)C)c1	841086994	HMVNFKNFSATLAT-ZDUSSCGKSA-N	252.358	1.864	10	20	CDCD	
CN(CCCn1ccnc1)c1ccc(OCC(=O)O)cc1	846279378	AXIMCDAOBDWLTK-UHFFFAOYSA-N	289.335	1.873	10	20	CDCD	
C[C@H](CCN)NC(=O)NCc1ccc(N(C)C)c(F)c1	841760612	KVBOONDKKNRPGM-SNVBAGLBSA-N	282.363	1.428	10	20	CDCD	
CCN1C[C@H](N[C@H](C)c2cccc(OC)c2O)CC1=O	846169767	TWMYBRYFDHFCPL-GHMZBOCLSA-N	278.352	1.672	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN(C)CC(=O)NC1CC1	840909586	JJBLQEZWEKNWGK-UHFFFAOYSA-N	275.396	1.771	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2cnccn2)cc1F	746797974	KYPIWFSKGZHVAS-UHFFFAOYSA-N	274.299	1.612	10	20	CDCD	
C[C@H]1OC(=O)N[C@H]1C(=O)NCc1cc(Cl)ccc1O	846474549	UZOXMONYWJQWBU-LHLIQPBNSA-N	284.699	1.159	10	20	CDCD	
CN[C@H]1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2O)C1	843045557	VCJQVAONYPEREB-JTQLQIEISA-N	281.312	1.103	10	20	CDCD	
COc1ccc(N2CC[C@H](CNC(=N)N(C)C)C2)cc1	849043395	BMQJIZFRLXKIEQ-GFCCVEGCSA-N	276.384	1.607	10	20	CDCD	
CC[C@H](N)CNC(=O)N[C@@H](C)c1cc(OC)ccc1O	842005689	JMJOSTDDWSMPPG-UWVGGRQHSA-N	281.356	1.498	10	20	CDCD	
CCN(CC)c1ccc(CN[C@H]2[C@@H]3CNC[C@@H]32)cc1	841077169	CFPMYWQCUAZMKN-ZSHCYNCHSA-N	259.397	1.840	10	20	CDCD	
CCN(C)c1ccc(CN2CCOC[C@@H]2CC(=O)O)cc1	846273072	WSWMLICBQFGFPP-HNNXBMFYSA-N	292.379	1.818	10	20	CDCD	
CN1C[C@H](N(C)C(=O)c2cc(O)cs2)CCC1=O	854635804	WHLDGGQEBYSSJD-MRVPVSSYSA-N	268.338	1.147	10	20	CDCD	
C[C@@H](NC(=O)c1cc(O)cs1)[C@@H](O)C(F)(F)F	854921077	IHZSWMAJKOZUBI-CLZZGJSISA-N	269.244	1.495	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)N[C@@H]2CCN(C)C2)c1	756536293	UNQQBOMTQVJNRO-ZYHUDNBSSA-N	278.352	1.534	10	20	CDCD	
C[C@H]1C[C@H](NCc2nncn2C)c2c(O)ccc(F)c21	756403376	XZYVRLDTXHZZJC-WPRPVWTQSA-N	276.315	1.998	10	20	CDCD	
CCOC(=O)[C@@H](C)OC(=O)c1cccc(O)c1O	758562232	RSKCWHRSYMPVJX-SSDOTTSWSA-N	254.238	1.206	10	20	CDCD	
C[C@@H](NS(=O)(=O)CC1CCOCC1)c1ccccc1O	867834049	KDBRCESAVYIACV-LLVKDONJSA-N	299.392	1.799	10	20	CDCD	
CCC1(Cn2cc(COc3ccc(N)cc3)nn2)COC1	864633719	JTWCYBLFDUDKPC-UHFFFAOYSA-N	288.351	1.866	10	20	CDCD	
CCOc1ccc(CN2C[C@@H]3CCCN[C@@H]3C2)c(O)c1	769441072	GMNVZHPNZJDZBS-SWLSCSKDSA-N	276.380	1.975	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)Cc1cn(C)nn1	761640822	OBIBSSARSOIHET-UHFFFAOYSA-N	273.384	1.903	10	20	CDCD	
CN(CC1=CCCOC1)C(=O)C(=O)Nc1ccc(N)cc1	1118541812	LHBKTZWTHLRFQZ-UHFFFAOYSA-N	289.335	1.012	10	20	CDCD	
C[C@@H](NC(=O)C(C)(C)n1ccc(N)n1)c1ccccc1O	877256493	XITWJGWMHRKRGF-SNVBAGLBSA-N	288.351	1.783	10	20	CDCD	
COCCCOC(=O)/C=C/c1ccc(O)c(O)c1	772776252	PDECTGXJHDHEFB-GQCTYLIASA-N	252.266	1.691	10	20	CDCD	
C[C@@H](NCc1cn(C)nn1)c1c(O)cccc1F	886588708	XTAWJZBPTZLNFS-MRVPVSSYSA-N	250.277	1.511	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CC=CCC1	778967321	BBVTVVWKLLZUAE-UHFFFAOYSA-N	287.407	1.973	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NC(C)(C)C(=O)O)cc1F	780490614	ZWGUKURPTIHJSE-UHFFFAOYSA-N	297.330	1.554	10	20	CDCD	
C[C@H](NC(=O)[C@@H](C)O)c1ccc(N2CCOCC2)cc1	786826245	DYGAHHLXKUUUKM-NWDGAFQWSA-N	278.352	1.081	10	20	CDCD	
Cn1ncc(C(=O)NCCCSc2nccs2)n1	786159017	JWMHEWBPJBWDQK-UHFFFAOYSA-N	283.382	1.184	10	20	CDCD	
COCCOc1ccc(/C=C2/SC(=S)NC2=O)o1	899340602	GPBSYDWCYYFMLV-SOFGYWHQSA-N	285.346	1.794	10	20	CDCD	
COc1cccc(CNC(=O)c2ccc(O)cc2O)c1O	780985639	TUIOQZWINAADKH-UHFFFAOYSA-N	289.287	1.742	10	20	CDCD	
COCCN1CC[C@@H](NCc2cc(C)cc(OC)c2O)C1	894273893	RUTKHVMSBJHQGB-CQSZACIVSA-N	294.395	1.520	10	20	CDCD	
COC(=O)C(C)(C)NCc1cccc(OC)c1O	37085530	XYMHUPJIHDRCAU-UHFFFAOYSA-N	253.298	1.442	10	20	CDCD	
[N-]=[N+]=NCC(=O)N1CC[C@](CO)(C(F)(F)F)C1	409425237	ABSCHUIJVDXYTE-ZETCQYMHSA-N	252.196	1.070	10	20	CDCD	
Cc1ccc([C@@H](C)NC[C@@]2(O)CCN(C)C2)c(O)c1	702636998	RJKPIHJOWGKFDJ-DOMZBBRYSA-N	264.369	1.418	10	20	CDCD	
Cc1ccc(O)c(CNc2ccc(S(N)(=O)=O)cc2)c1	71406070	HAZLYKALGFKWJV-UHFFFAOYSA-N	292.360	1.960	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@H]2C[C@@H]2C1	1333365896	UQOBGBNHPJXGHM-WCQYABFASA-N	288.347	1.219	10	20	CDCD	
Nc1ccc(CN2CCN(c3ncc(F)cn3)CC2)cc1	1334775101	RFXVLZFYZXWXJR-UHFFFAOYSA-N	287.342	1.520	10	20	CDCD	
COc1cccc(CN=c2nc[nH]n2CC2CC2)c1O	1347981404	SECMFQZFOCZPPT-UHFFFAOYSA-N	274.324	1.436	10	20	CDCD	
Cn1nc(C2CC2)cc1C(=O)NCc1cccc(O)c1O	1348048026	RTWYZELMXVKZJT-UHFFFAOYSA-N	287.319	1.639	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CCC=C(C(=O)O)C2)c1O	1776210236	JRQWSMXMVDRBIH-UHFFFAOYSA-N	293.294	1.951	10	20	CDCD	
CN(C)c1ccc(CN2C[C@@H](O)[C@H](CC(=O)O)C2)cc1	1777039712	TVUOOWZCORTRJC-TZMCWYRMSA-N	278.352	1.020	10	20	CDCD	
CCCc1cc(C(=O)NCCc2ccc(O)c(O)c2)[nH]n1	156638910	JRVZMVASFILSJY-UHFFFAOYSA-N	289.335	1.746	10	20	CDCD	
CC(C)C(=O)NCCNCc1cc(F)ccc1O	226582688	LLNNMDRPTRQUBA-UHFFFAOYSA-N	254.305	1.393	10	20	CDCD	
CN(C)c1ccc(CNC(=O)C[C@H](N)C2CC2)cc1	123903241	JUTIKLRXJVIBFL-AWEZNQCLSA-N	261.369	1.496	10	20	CDCD	
CCOc1cccc(CNCC2([S@@](C)=O)CC2)c1O	282498992	WMABHIUHLJGSFV-LJQANCHMSA-N	283.393	1.792	10	20	CDCD	
COC(=O)N1CCN(Cc2cc(OC)ccc2O)CC1	387386231	ZJMAWMQMUUAAOR-UHFFFAOYSA-N	280.324	1.285	10	20	CDCD	
COc1ccc(O)c(CN[C@H](CCO)C(F)(F)F)c1	894850895	LLKFYKIKHHFTST-LLVKDONJSA-N	279.258	1.804	10	20	CDCD	
O=C(C1CC1)N1CCCN(Cc2ccccc2O)CC1	119099726	OYSRIKLTQKDJSA-UHFFFAOYSA-N	274.364	1.837	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)CN2CCCC2=O)c1	170900964	NXMBFZQTNPSZCR-JTQLQIEISA-N	292.335	1.200	10	20	CDCD	
COC[C@@H](C)N(C)C(=O)c1ccc(C)c(O)c1O	182122549	DXVOMSSONZROIG-SECBINFHSA-N	253.298	1.513	10	20	CDCD	
Cc1nc(CNC(=O)c2cccc(O)c2O)cs1	126316313	SDPKVZRSBLKNJY-UHFFFAOYSA-N	264.306	1.793	10	20	CDCD	
CCOCC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	120824933	ZBIMGCJUMQFBIV-AWEZNQCLSA-N	293.363	1.936	10	20	CDCD	
COc1ccc(O)c(CNC(=O)N[C@@H]2CCC[C@H]2OC)c1	132302227	VTBLVXYJHVQEPY-TZMCWYRMSA-N	294.351	1.768	10	20	CDCD	
O=S(=O)(Nc1ccc(O)c(Cl)c1)c1ncc[nH]1	380210514	UBVLZGODYXQLST-UHFFFAOYSA-N	273.701	1.570	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1cnsn1	48723321	RVDKUAUBKKFUBE-UHFFFAOYSA-N	276.365	1.876	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC[C@@H]2COCCN2)c1	530221052	CDJXSGGXRRAGND-WDEREUQCSA-N	266.341	1.040	10	20	CDCD	
CN(C)c1ccc(CNC(=O)COc2cccnc2)cc1	263926657	QTGQSBGDJHRSLP-UHFFFAOYSA-N	285.347	1.843	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)C1(O)Cc2ccccc2C1	367888864	ZERCPGFGPJZKFX-UHFFFAOYSA-N	299.326	1.244	10	20	CDCD	
COc1cc(O)c(CNCC2=CCN(C)CC2)cc1OC	271868285	WYDDQEDKOWKIPU-UHFFFAOYSA-N	292.379	1.761	10	20	CDCD	
C[C@H]1c2nncn2CCN1Cc1cc2c(cc1O)OCO2	276784466	KBACXPLECZMUBW-VIFPVBQESA-N	288.307	1.289	10	20	CDCD	
COC(=O)[C@@H]1CC[C@H]1C(=O)N(C)Cc1ccccc1O	285603171	IQEKKJFYWPFUPT-VXGBXAGGSA-N	277.320	1.550	10	20	CDCD	
CC(=O)CCC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	282677725	IAPSBPPQUDQMGL-VIFPVBQESA-N	265.309	1.514	10	20	CDCD	
COC(=O)c1ccc(OCC(=O)C(C)=O)cc1OC	288293176	BQLCUOJKPKMPOL-UHFFFAOYSA-N	266.249	1.019	10	20	CDCD	
O=C(Cn1cc(Cl)cn1)NCCc1ccc(O)c(O)c1	807106660	RPJITFAIUXNERQ-UHFFFAOYSA-N	295.726	1.307	10	20	CDCD	
COc1cc(O)c(CN2CCOCC23CC3)cc1OC	802658494	FPLOOQDTPCMATM-UHFFFAOYSA-N	279.336	1.774	10	20	CDCD	
CCCOC(=O)CCNC(=O)c1c(F)ccc(O)c1O	295359883	VYICIVLKARHPCN-UHFFFAOYSA-N	285.271	1.310	10	20	CDCD	
CO[C@H]1COC[C@@H]1NCc1cc(Cl)cc(C)c1O	290868846	KCHHZFTZASVWCL-RYUDHWBXSA-N	271.744	1.857	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2cccnc2O)c1	728979560	IHUGPQWQXMGGEC-SECBINFHSA-N	288.303	1.992	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2ccc(C=O)n2C)cc1	822227192	YTBFUJSPSRRIBD-UHFFFAOYSA-N	285.347	1.834	10	20	CDCD	
CCN1CCOC[C@@H]1C(=O)N[C@H](C)c1ccccc1O	827941322	QHMSEXJLQSGXRW-DGCLKSJQSA-N	278.352	1.290	10	20	CDCD	
C[C@H](CCCO)CNC(=O)/C=C\c1ccc(O)c(O)c1	833889238	RINVMXBBBMKVJM-JPVGGKMYSA-N	279.336	1.636	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCOCC12CCC2	830856804	PIJWYNHWJHJVOK-UHFFFAOYSA-N	253.323	1.849	10	20	CDCD	
COc1ccc(CNC(=O)N[C@@H]2CCC[C@H]2OC)c(O)c1	836605886	BBICMUABTORBHE-TZMCWYRMSA-N	294.351	1.768	10	20	CDCD	
CNC(=O)NC1CCN(Cc2ccc(N(C)C)cc2)CC1	839665390	GWNPGGHISGTLII-UHFFFAOYSA-N	290.411	1.646	10	20	CDCD	
O=C(O)CC1(NCc2ccc3c(c2)CCO3)CCOCC1	833205797	GMNYMLNYTPMZNM-UHFFFAOYSA-N	291.347	1.735	10	20	CDCD	
CN1CCN(C(=O)c2cc(O)cs2)CC1(C)C	847137463	COOUAZTYPZMIHL-UHFFFAOYSA-N	254.355	1.620	10	20	CDCD	
COc1ccc(N(C)CCN(C)CC2(CO)COC2)cc1	844402066	TWDMYRLYAAWPCF-UHFFFAOYSA-N	294.395	1.072	10	20	CDCD	
C[C@@H]1C[C@H](O)CN1c1ccc(/C=C\C(=O)O)cc1[N+](=O)[O-]	844213041	FRNASGQLVATWGV-PMEPJVLUSA-N	292.291	1.652	10	20	CDCD	
O=C1O[C@@H](C(=O)NCc2ccccc2O)Cc2ccccc21	748346054	LBNPJCPICNMGGL-OAHLLOKOSA-N	297.310	1.790	10	20	CDCD	
CN(C)c1ccc(CN2CCCO[C@@H](CN)C2)cc1F	841101205	RRKIQKNWDOPNAK-ZDUSSCGKSA-N	281.375	1.441	10	20	CDCD	
C[C@H]1CCNC(=O)[C@@H]1NCc1ccc2c(c1)CCCO2	922101067	STTAQZNFPQZCFN-XHDPSFHLSA-N	274.364	1.626	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1C[C@H](CO)OC[C@@H]1C	840921575	WWCMKHPJTAFWMU-XJKSGUPXSA-N	278.396	1.643	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@H](CN)C2CC2)c1O	841028030	JRQRXFISXPYJMZ-SNVBAGLBSA-N	281.312	1.136	10	20	CDCD	
C[C@H](C(=O)NCc1ccccc1O)c1cnn(C)c1	750240586	YCRLRFXFVPULEI-JTQLQIEISA-N	259.309	1.546	10	20	CDCD	
C[C@H](N)CCNC(=O)N(C)Cc1ccc(N(C)C)cc1	857114074	JMJAIVZOTOMMAX-LBPRGKRZSA-N	278.400	1.631	10	20	CDCD	
COc1cccc(CCNC(=O)c2cc(O)cs2)n1	754016192	CFBZKKGTYKPFPI-UHFFFAOYSA-N	278.333	1.830	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@@H](CCO)C2CC2)c1	756739415	NIQHRUWJZGHJDX-HZMBPMFUSA-N	293.363	1.990	10	20	CDCD	
CC(C)c1[nH]nc(C(N)=O)c1NC(=O)c1cc(O)cs1	854895636	BFVFKUKCSNZPCC-UHFFFAOYSA-N	294.336	1.651	10	20	CDCD	
CN(C(=O)COC(=O)/C=C\c1ccc(O)c(O)c1)C1CC1	750553992	NHZDMEJFXOZKLO-CLTKARDFSA-N	291.303	1.275	10	20	CDCD	
CN(C)c1ccc(CNc2ncnc3c2nnn3C)cc1	853093523	GJTMALSHCJSTTQ-UHFFFAOYSA-N	283.339	1.436	10	20	CDCD	
OC1CCN(c2ccc(CN[C@H]3CCCOC3)cc2)CC1	850565606	GUUQPLOKVATYBJ-HNNXBMFYSA-N	290.407	1.916	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)CCc1cnn[nH]1	866597490	UBFRLDLXNPMURQ-UHFFFAOYSA-N	260.297	1.102	10	20	CDCD	
O=C1[C@@H]2CCCN2C(=O)N1Cc1ccc(N2CC=CC2)cc1	761359038	HRTLJUAPUSUKHO-HNNXBMFYSA-N	297.358	1.989	10	20	CDCD	
O=C(OCC(=O)[C@@H]1CCOC1)c1cc(O)cs1	762894182	VFVXKPJQLVKFFZ-SSDOTTSWSA-N	256.279	1.216	10	20	CDCD	
COc1cccc(C(=O)NCCc2ccc(O)c(O)c2)n1	762268431	FYURWKNAMWDLND-UHFFFAOYSA-N	288.303	1.474	10	20	CDCD	
CCOc1cccc(CN2CC(OCCOC)C2)c1O	779432265	QMHIMSDIPSTIEY-UHFFFAOYSA-N	281.352	1.638	10	20	CDCD	
CO[C@@H](C)CCNCc1ccc(N2CCN(C)CC2)cc1	771827482	KCDDKIJZWVOZIW-HNNXBMFYSA-N	291.439	1.953	10	20	CDCD	
C[C@H](C(=O)Nc1c(Cl)ccc2nonc12)n1cncn1	1117546725	BZKVNBCNQLDXID-ZCFIWIBFSA-N	292.686	1.667	10	20	CDCD	
COC[C@H](CCO)N[C@@H](C)c1c(O)cccc1F	886530451	KUQKAPHEMDSXQT-UWVGGRQHSA-N	257.305	1.579	10	20	CDCD	
CCC[C@H](NC(=O)c1ccc(C)c(O)c1O)C(=O)OC	781015325	VETJLOHNYIPVBT-JTQLQIEISA-N	281.308	1.478	10	20	CDCD	
COc1cc(C)cc(CN2CCSC[C@H]2CO)c1O	895471672	ZSZUOOULHYBALZ-GFCCVEGCSA-N	283.393	1.619	10	20	CDCD	
C[C@H](NC(=O)NC[C@H]1C[C@@H](N)C1)c1ccc(N(C)C)cc1	891814584	SKWYKZZUVGGDJS-SGMGOOAPSA-N	290.411	1.850	10	20	CDCD	
COc1ccc(CNC(=O)c2ccc(C=O)[nH]2)c(O)c1	794381130	LPRJBRXHVNKUQT-UHFFFAOYSA-N	274.276	1.471	10	20	CDCD	
COc1ccc(CNCCCC(=O)N(C)C)c(O)c1OC	892697635	USOMMTLUUZBWQX-UHFFFAOYSA-N	296.367	1.367	10	20	CDCD	
COc1cc(O)c(CN2CC(OC(F)F)C2)cc1OC	797821459	UIDAMLCFSATRGQ-UHFFFAOYSA-N	289.278	1.833	10	20	CDCD	
COc1cccc(CNC(C)(C)C(=O)N2CCCC2)c1O	793393883	CUGBPKMGRSBEMK-UHFFFAOYSA-N	292.379	1.891	10	20	CDCD	
COC(=O)N(C)CCCC(=O)Nc1ccc(N)cc1	160387068	OFSMDPLGPWHWFT-UHFFFAOYSA-N	265.313	1.686	10	20	CDCD	
C[C@H](NCCS(C)(=O)=O)c1cc(F)ccc1O	94617635	XEYJUSAXXCSQPU-QMMMGPOBSA-N	261.318	1.227	10	20	CDCD	
Nc1ccc(CNC(=O)N[C@@H](CO)CC(F)(F)F)cc1	1337070781	WAVJGRBKWSJQNT-SNVBAGLBSA-N	291.273	1.381	10	20	CDCD	
COc1ccc(CNCCc2cn[nH]c2)c(O)c1OC	1333763587	GMKYQXWIXVHYJA-UHFFFAOYSA-N	277.324	1.465	10	20	CDCD	
COc1ccc(N(C)C[C@@H]2CN(C)C(=O)O2)cc1OC	1261236955	CGNPABLUXSOKBM-LLVKDONJSA-N	280.324	1.591	10	20	CDCD	
CN(C)c1ccc(CN[C@@H]2CCOC[C@H]2CC(=O)O)cc1	1343443952	ORSKXRQLBSSSRL-UKRRQHHQSA-N	292.379	1.722	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@H](C(=O)O)C(C)C)c1	1605297108	VJMLMHURMHMSCP-GFCCVEGCSA-N	265.309	1.674	10	20	CDCD	
O=C(O)CC1(NC(=O)Cc2ccc(O)c(O)c2)CCC1	1594979778	LVXWAJYCXMOJNY-UHFFFAOYSA-N	279.292	1.154	10	20	CDCD	
CN(Cc1ccccc1O)c1ccnc(-c2nn[nH]n2)c1	1591148068	ZKCCEWBRZIMWFT-UHFFFAOYSA-N	282.307	1.604	10	20	CDCD	
C[C@H](NCC1(CCO)CC1)c1cc(C(=O)O)ccc1O	1593248748	LQFDXNDZOOQZGI-JTQLQIEISA-N	279.336	1.904	10	20	CDCD	
C[C@H](CNCc1ccc(N(C)C)cc1)[C@H](F)C(=O)O	1776425464	WWGLFDSCTZQTKA-MFKMUULPSA-N	268.332	1.901	10	20	CDCD	
CC[C@H](C)CS(=O)(=O)NCc1cccc(OC)c1O	151302260	ZKEVEBYNVRFRGT-JTQLQIEISA-N	287.381	1.866	10	20	CDCD	
COCCN(C)CCNCc1cccc(OC)c1O	61375431	WQBWOFVFVJFIQM-UHFFFAOYSA-N	268.357	1.069	10	20	CDCD	
COc1cccc(CNC[C@@]2(C)CCOC2)c1O	397279722	HJSGSEMHVRPLHY-CQSZACIVSA-N	251.326	1.917	10	20	CDCD	
C[C@H]1C[C@@H](C(=O)O)CN(C(=O)c2cccc(O)c2O)C1	398749448	VFLLSCVPWOEGML-DTWKUNHWSA-N	279.292	1.281	10	20	CDCD	
O[C@@H]1CCCN(Cc2ccc(N3CCOCC3)cc2)C1	305720139	AHVHKNAQZMQPDH-MRXNPFEDSA-N	276.380	1.480	10	20	CDCD	
CCCCCS(=O)(=O)CC(=O)NCc1ccccc1O	76431113	ZTHRBESTRWTSGN-UHFFFAOYSA-N	299.392	1.613	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NCc2nccc(N)n2)c1	182424121	ODGVRJQFEXHLBC-SECBINFHSA-N	274.324	1.624	10	20	CDCD	
CC(C)N1CC[C@@H](CNCc2cc3c(cc2O)OCO3)C1	42880361	FTDKWEPVOMNWHK-LBPRGKRZSA-N	292.379	1.941	10	20	CDCD	
COC(=O)[C@@H](C)N1CCN(c2ccc(OC)c(F)c2)CC1	84866339	RBJUUFWGFAHYQM-LLVKDONJSA-N	296.342	1.518	10	20	CDCD	
O=C1NC(=S)NC(=O)C1=CNc1ccc(F)cc1Cl	48402969	DFRSSQUONXUVNG-UHFFFAOYSA-N	299.714	1.306	10	20	CDCD	
CC(C)Oc1ccc(N(C)CC(=O)N(C)C)cc1	191585372	IZJULPABTXKYHH-UHFFFAOYSA-N	250.342	1.998	10	20	CDCD	
CCOc1cccc(CN2CCOC[C@@]23CCOC3)c1O	195017306	PRMYHMQKLKQKCE-INIZCTEOSA-N	293.363	1.782	10	20	CDCD	
CCCOc1ccc(CN(C)CC(C)(CO)CO)c(O)c1	93502806	FSYFEWZMLBREFC-UHFFFAOYSA-N	297.395	1.604	10	20	CDCD	
C[C@H](CCN(C)C)NC(=O)c1c(F)ccc(O)c1O	276549790	KFGPKAICSMMUOU-MRVPVSSYSA-N	270.304	1.307	10	20	CDCD	
COc1cc(O)c(CN(C)[C@H](C)CO)cc1OC	289498159	SPPSSJMKMSUIMQ-SECBINFHSA-N	255.314	1.222	10	20	CDCD	
C[C@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1O)C(=O)NCCF	282862924	UUQFQUXTZLIHBW-BDAKNGLRSA-N	299.302	1.425	10	20	CDCD	
Cn1nncc1C(=O)NCc1c(O)ccc2c1CCCC2	282565194	BLJDZUIQXKNFIK-UHFFFAOYSA-N	286.335	1.330	10	20	CDCD	
COC(=O)N1CC(N[C@H]2CCc3cccc(O)c32)C1	297137399	ZFNVDLKMCDLUFA-NSHDSACASA-N	262.309	1.420	10	20	CDCD	
CCNC(=O)[C@@H](NCc1cc([N+](=O)[O-])ccc1O)C(C)C	292741505	AJQPKKXELFSZNH-ZDUSSCGKSA-N	295.339	1.551	10	20	CDCD	
COCC[C@H]1COCCN1Cc1cccc(OC)c1O	291222619	JONDIJBWVRNLIS-ZDUSSCGKSA-N	281.352	1.638	10	20	CDCD	
CN(C)c1ccc(Cn2ccc(=O)c([N+](=O)[O-])c2)cc1	814751694	QOWLAHACXVGORW-UHFFFAOYSA-N	273.292	1.871	10	20	CDCD	
CNC(=O)NCCC(=O)N[C@H](C)c1ccc(N(C)C)cc1	816180437	PILGCHFUTHYBAT-LLVKDONJSA-N	292.383	1.249	10	20	CDCD	
CC[C@@H](C)NC(=O)[C@@H](C)OC(=O)c1ccc(C)c(O)c1O	727005620	UHOVVOQCDWXVFK-NXEZZACHSA-N	295.335	1.866	10	20	CDCD	
CC[C@H](NCc1ccc([N+](=O)[O-])c(OC)c1O)[C@H](C)O	824921538	MTDCTGUUQWBZEK-WPRPVWTQSA-N	284.312	1.558	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CSC2COC2)cc1	901645424	WJHDBOOWKHUJTH-UHFFFAOYSA-N	280.393	1.501	10	20	CDCD	
C[C@@H](NC(=O)[C@@H]1CCN(C)[C@@H]1C)c1ccccc1O	827952551	XEEDRGCFMJYNJR-NQBHXWOUSA-N	262.353	1.910	10	20	CDCD	
CN1CCC[C@@H](CN(C)C(=O)c2cc(O)cs2)C1	734552672	JOKNQNACHVYKSM-SNVBAGLBSA-N	268.382	1.868	10	20	CDCD	
COC[C@@H]1CN(C(=O)Cc2ccc(N)cc2)C[C@@H](C)O1	832002119	BOUSWSOLKLYSSE-RISCZKNCSA-N	278.352	1.074	10	20	CDCD	
Nc1ccc(Cc2noc([C@@H]3[C@H]4CCC(=O)[C@H]43)n2)cc1	904078245	WMBHFSKEHNOYAL-LEWSCRJBSA-N	269.304	1.935	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1CC[C@@H](C(=O)O)C1	901490649	QDONZURKQBEIQL-CYBMUJFWSA-N	262.353	1.968	10	20	CDCD	
CCOc1ccc(O)c(CN2CC[C@@](F)(C(=O)O)C2)c1	833662681	KBMBDCHUDIAXBA-AWEZNQCLSA-N	283.299	1.790	10	20	CDCD	
Cc1ccc(C(=O)NC(C)(C)CN(C)C)c(O)c1O	837239352	QPJFLOLWQOVQNW-UHFFFAOYSA-N	266.341	1.476	10	20	CDCD	
O=[N+]([O-])c1cc(Cl)cc(CNC[C@@H](O)C2CC2)c1O	734844574	OBYWAUNMMDTHBS-LLVKDONJSA-N	286.715	1.814	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCC[C@@H](CO)CC1	832927245	SWARKBVEDPNPRP-SECBINFHSA-N	255.339	1.688	10	20	CDCD	
CN(C)c1ccc([C@@H](N)CNC(=O)C(C)(C)C)cc1	832293093	PEEVATZFRKKCPF-ZDUSSCGKSA-N	263.385	1.915	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)N[C@@H](C)CN)cc1	841718246	QCSCXPMGHMUZGV-LBPRGKRZSA-N	278.400	1.679	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1CCS(=O)(=O)CC1	840914490	UOFVXGJAWNIXBX-UHFFFAOYSA-N	282.409	1.291	10	20	CDCD	
CC[C@@H](C)CN(C)C(=O)C(=O)Nc1ccc(N)cc1	841036034	NLBZDQITDQONPL-SNVBAGLBSA-N	263.341	1.712	10	20	CDCD	
COC[C@](C)(O)CN[C@@H](C)c1cccc(OC)c1O	846143473	GABHCFYRJQOMBO-IINYFYTJSA-N	269.341	1.449	10	20	CDCD	
CCCN1CC(=O)N[C@H]1c1cccc(OC)c1O	840821871	GLOKYDJKDXNKJI-CYBMUJFWSA-N	250.298	1.241	10	20	CDCD	
COCCNC(=O)C1(N[C@H]2CCc3cccc(O)c32)CC1	840825121	SNHOATGMIIPBGR-LBPRGKRZSA-N	290.363	1.264	10	20	CDCD	
Oc1ccc(CCNC(=S)NC[C@@H]2CCOC2)cc1O	749647545	NSLUXBYARMNDIR-NSHDSACASA-N	296.392	1.141	10	20	CDCD	
CS(=O)(=O)c1ccc(/C=C2/SC(=S)NC2=O)cc1	918155875	XUQIQFQEBXJLOO-RMKNXTFCSA-N	299.398	1.579	10	20	CDCD	
CCOC1CCN(C(=O)C(=O)Nc2ccc(N)cc2)CC1	846319757	JBQAHHNLVUGCEG-UHFFFAOYSA-N	291.351	1.235	10	20	CDCD	
C[C@@H]1CCN(Cc2cc3c(cc2O)OCO3)C[C@@H]1CN	841101321	SMTBJTNXRLTOHK-PWSUYJOCSA-N	278.352	1.538	10	20	CDCD	
CCOCc1cc(CNC[C@H](C)CN)ccc1OC	841050165	YOXPGTVECZIYED-GFCCVEGCSA-N	266.385	1.916	10	20	CDCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NC[C@H](C)O	840478764	BWOPHADHXHMGOB-OLZOCXBDSA-N	293.411	1.672	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)N[C@@H](C)Cn2ccnc2)c1	858154796	RLQUOUOQFQZCGA-LBPRGKRZSA-N	288.351	1.785	10	20	CDCD	
CN(C(=O)/C=C\c1cnn(C)c1)c1ccc2c(c1)OCO2	756284551	ISSWJRJYIWOVDI-UTCJRWHESA-N	285.303	1.825	10	20	CDCD	
CC(C)C[C@H](CN)CC(=O)NCCc1ccc(N)cc1	852795397	HOKWJENIXILIHQ-AWEZNQCLSA-N	277.412	1.939	10	20	CDCD	
O=[N+]([O-])c1ccc(O)c(CNCCN2CCC2)c1	752106895	LQSFJYAFGGBSFQ-UHFFFAOYSA-N	251.286	1.096	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)CC(C)(C)O	935946095	XPIFAOGNMUZLFR-UHFFFAOYSA-N	272.341	1.655	10	20	CDCD	
CCOc1cccc(CN[C@@H]2CCC[C@H]2C(=O)NC)c1O	765797241	RBBWRVFJLFEVNB-CHWSQXEVSA-N	292.379	1.795	10	20	CDCD	
CCC[C@H](O)C(=O)NCc1ccc(N(C)C)c(F)c1	931145810	FXEZYNHTJVQIFA-ZDUSSCGKSA-N	268.332	1.669	10	20	CDCD	
Oc1cc2c(cc1CN(C1CC1)C1CC1)[C@@H](O)CO2	863303210	WEHCXPWJXOPAMH-AWEZNQCLSA-N	261.321	1.945	10	20	CDCD	
O=C(N[C@H](CO)CC(F)F)c1cc(O)cs1	760919447	DGEQWUGXGDCEKL-YFKPBYRVSA-N	251.254	1.200	10	20	CDCD	
OC[C@H]1C[C@@H](NCc2ccc(N3CCC(O)CC3)cc2)C1	877667382	OOWXODYHXKPMTO-GASCZTMLSA-N	290.407	1.508	10	20	CDCD	
Cc1ccc(CNC[C@H](O)COCC(C)C)c(O)c1	876966576	WROUBABSTGUYNC-AWEZNQCLSA-N	267.369	1.824	10	20	CDCD	
C[C@@H](NCC(=O)NCc1ccccn1)c1ccccc1O	879648355	LCEZOFMXXGLETL-GFCCVEGCSA-N	285.347	1.754	10	20	CDCD	
CCN[C@H](C)C(=O)NCc1ccc(N(C)C)c(F)c1	876740364	LWEWBOOHJOQMJR-SNVBAGLBSA-N	267.348	1.506	10	20	CDCD	
C[C@H]1[C@@H](C)N(C)CCN1C(=O)c1cc(O)cs1	771418859	OPWWZIPUYWZTDS-BDAKNGLRSA-N	254.355	1.618	10	20	CDCD	
C[C@@H](NCCS(C)(=O)=O)c1c(O)cccc1F	886518009	ZTYOFKCVWNHMKU-MRVPVSSYSA-N	261.318	1.227	10	20	CDCD	
CN[C@@H](CC(C)C)C(=O)N(C)Cc1ccccc1O	884092060	RKGAGJOIUAXMND-ZDUSSCGKSA-N	264.369	1.985	10	20	CDCD	
COc1ccc(CN2CCC(CO)CC2)c(O)c1OC	891573636	HCEQOSXXUZZHQI-UHFFFAOYSA-N	281.352	1.614	10	20	CDCD	
COc1cc(C)cc(CN[C@@H](CO)[C@@H]2CCCOC2)c1O	894993870	KYCUYIOFTVGFPK-OCCSQVGLSA-N	295.379	1.586	10	20	CDCD	
COCC[C@H](CO)NCc1cc(Cl)cc(F)c1O	798967316	VIWHWPRNWAHNIC-SNVBAGLBSA-N	277.723	1.672	10	20	CDCD	
CC[C@H](NC[C@@H]1COCCO1)c1ccc(F)cc1O	796695565	QDWMOGLHBMWWDF-YPMHNXCESA-N	269.316	1.987	10	20	CDCD	
COc1ccc(CN=c2nn[nH]n2-c2ccccc2)c(O)c1	795289189	JASLWZXQNHUCBW-UHFFFAOYSA-N	297.318	1.411	10	20	CDCD	
CCNC(=O)NC(=O)[C@@H](C)N(C)Cc1ccccc1O	109770062	QMTBCUTZOPJYQU-SNVBAGLBSA-N	279.340	1.058	10	20	CDCD	
CCN1CCC[C@@H](NCc2ccc(N(C)C)cc2)C1=O	722360885	CJLMQWOKVYNVMX-OAHLLOKOSA-N	275.396	1.853	10	20	CDCD	
NS(=O)(=O)c1cccnc1NCc1ccccc1O	774522915	BUEIHSNASVVSLN-UHFFFAOYSA-N	279.321	1.047	10	20	CDCD	
CC(C)OC[C@H](NCc1ccc2c(c1)CCO2)C(=O)O	1335816344	BQPIBWKQFGXDEV-ZDUSSCGKSA-N	279.336	1.589	10	20	CDCD	
O=C(N[C@H]1CN2CCC1CC2)c1cc(O)cs1	1337410606	RXRJDQCGHUZEES-JTQLQIEISA-N	252.339	1.278	10	20	CDCD	
Cn1cc(N2CC[C@@H](N[C@@H]3CCc4cccc(O)c43)C2)cn1	1261276323	DSGAJOAWCHRJFS-UKRRQHHQSA-N	298.390	1.982	10	20	CDCD	
O=C(O)[C@H]1C[C@@H](NCc2cc(F)c(F)cc2O)C1	1608822976	QBJXPDQURLABAZ-WRXNHJIOSA-N	257.236	1.623	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(C)(C)C(=O)O	1603200048	RDOPIRNZOYMABZ-MRVPVSSYSA-N	281.308	1.256	10	20	CDCD	
COc1cccc([C@H](C)NC[C@H](C)C(=O)O)c1O	1604857058	MRGTTYAKCDBBLL-IUCAKERBSA-N	253.298	1.772	10	20	CDCD	
COc1ccc(CN(C)[C@H](C)C(=O)O)c(O)c1OC	1607251693	MSVCLHNZWILLCA-MRVPVSSYSA-N	269.297	1.314	10	20	CDCD	
CC[C@@H](O)CN[C@H](CC)c1cccc(-c2nn[nH]n2)c1O	1590465911	HTUBPHMDKKDHON-BXKDBHETSA-N	291.355	1.384	10	20	CDCD	
C[C@@H](CCO)NC(=O)NCc1ccc(N(C)C)c(F)c1	158089999	PRCCDUFIJDPPRH-JTQLQIEISA-N	283.347	1.462	10	20	CDCD	
COc1ncccc1C(=O)NCCc1ccc(O)c(O)c1	156636953	QHYLPOKMSAHDEQ-UHFFFAOYSA-N	288.303	1.474	10	20	CDCD	
COC(=O)c1cnc(N(C)Cc2ccccc2O)nc1	804577448	BWWPVSNBHMKMMD-UHFFFAOYSA-N	273.292	1.605	10	20	CDCD	
Cc1c(C(=O)N[C@H](C)c2ccccc2O)nnn1C	827937553	YUTJHZDBVIJDOF-MRVPVSSYSA-N	260.297	1.320	10	20	CDCD	
CN(C)c1ccc(CNC[C@H]2COC(C)(C)O2)cc1	228842539	SRZMJLHOUMVODX-AWEZNQCLSA-N	264.369	1.994	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCC2(CC1)OCCO2	126168739	FEJZJIPUIVECBU-UHFFFAOYSA-N	279.292	1.077	10	20	CDCD	
CCN1CCN(C(=O)c2cccc(O)c2O)C[C@@H]1C	126413286	UZQBPEFGUZVALR-JTQLQIEISA-N	264.325	1.264	10	20	CDCD	
Cc1ccc(O)c(CNCC2(S(C)(=O)=O)CC2)c1	279885433	UUVZDLKOQXHGNX-UHFFFAOYSA-N	269.366	1.367	10	20	CDCD	
Cc1cc(NS(=O)(=O)c2cnn(C)c2C)ccc1O	388589290	LLABHHLODDMYPK-UHFFFAOYSA-N	281.337	1.543	10	20	CDCD	
O=C(O)C[C@@H]1CN(Cc2ccc(Cl)cc2O)CCO1	1608700139	BQZNYXYRSCADDG-LLVKDONJSA-N	285.727	1.721	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)CN1CCCC1=O	115280010	HCDCETBFKADZPT-UHFFFAOYSA-N	289.379	1.300	10	20	CDCD	
COCCCNC(=O)NCc1ccc(N(C)C)cc1C	115780467	XBCYYFXGYPJYFU-UHFFFAOYSA-N	279.384	1.897	10	20	CDCD	
CC(C)NC(=O)[C@H](C)N[C@@H](C)c1ccccc1O	228941325	MOGNEMWDCYKFMB-QWRGUYRKSA-N	250.342	1.956	10	20	CDCD	
Nc1ccc(CNC(=O)N2CC[C@@H](CCCO)C2)cc1	1357791100	JCKQAWRDBODHTM-CYBMUJFWSA-N	277.368	1.573	10	20	CDCD	
CCOc1cccc(CN2CC[C@H](S(C)(=O)=O)C2)c1O	282670985	HOWPSKOOELYDLE-LBPRGKRZSA-N	299.392	1.410	10	20	CDCD	
C[S@](=O)C1(CNCc2cc(F)ccc2O)CCC1	281931689	ZXLXZNFXICHUCP-SFHVURJKSA-N	271.357	1.922	10	20	CDCD	
C[C@H](C[S@](C)=O)NC(=O)NCc1ccc(N(C)C)cc1	182417446	ZQJJCNSAWUAQJS-GIPWTMENSA-N	297.424	1.319	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)[C@@H]1CCCS1	156631722	YPYQXIXRRJEIOP-LBPRGKRZSA-N	267.350	1.652	10	20	CDCD	
Cc1ccc(C(=O)N2CC[C@H](C)[C@H]2CO)c(O)c1O	189512383	GBGSOKDBRGJSBP-GZMMTYOYSA-N	265.309	1.249	10	20	CDCD	
CO[C@@H](C)CCC(=O)NCCc1ccc(N)cc1	228490706	LDLWUKZZGSKYNZ-NSHDSACASA-N	250.342	1.743	10	20	CDCD	
Cc1cc(C(=O)NC[C@@H](N)C2CC2)c(C)n1-c1ccccn1	237735043	BOKJTUQUANTZNB-OAHLLOKOSA-N	298.390	1.956	10	20	CDCD	
CNc1nnc(CC(=O)N(C)Cc2ccccc2O)s1	273562778	XSRBLLYMIGDHGH-UHFFFAOYSA-N	292.364	1.487	10	20	CDCD	
CC[C@@H](COC)NCc1ccc([N+](=O)[O-])c(OC)c1O	278310038	DXSUJIIDQLLLCP-JTQLQIEISA-N	284.312	1.824	10	20	CDCD	
COC(=O)C[C@@H](C)NC(=O)c1ccc(C)c(O)c1O	271314003	WCIMLTIDFGVUPE-MRVPVSSYSA-N	267.281	1.088	10	20	CDCD	
COC(=O)C[C@@H](C)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	274926571	MLPGFVQPYRVPQJ-ZJUUUORDSA-N	295.335	1.344	10	20	CDCD	
CN1CCN(CCNCc2cc(F)ccc2O)CC1(C)C	282485836	XEOHUWNEHKDUED-UHFFFAOYSA-N	295.402	1.647	10	20	CDCD	
COc1ccc(N2CCCN(C(=O)[C@H](C)CN)CC2)cc1	375825133	PIBKUQOJQVZQGH-CYBMUJFWSA-N	291.395	1.329	10	20	CDCD	
COc1ccc(O)c(CNC[C@H](CO)[C@H]2CCOC2)c1	281010304	YMEILJIZRUDXHW-WCQYABFASA-N	281.352	1.135	10	20	CDCD	
COc1ccc(CN[C@@H]2C(=O)NCC[C@H]2C)cc1C	282285960	IQALSCJJMUMXKL-YGRLFVJLSA-N	262.353	1.618	10	20	CDCD	
Cn1nnc(COc2ccc(N3CCCC3)cc2)n1	283469781	GNPCBJCXEKXYHA-UHFFFAOYSA-N	259.313	1.389	10	20	CDCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N[C@H]1C[C@@H](O)C1	297262366	OGDMLUISNVXXLW-OTVXOJSOSA-N	287.363	1.385	10	20	CDCD	
Cc1cc(C)c([C@H](C)NC[C@]2(O)CCOC2)c(O)c1	294911968	WOAFGCRPZUIHNT-SWLSCSKDSA-N	265.353	1.811	10	20	CDCD	
CC(C)(C)CC(=O)NCC(=O)NCc1ccccc1O	299461806	CEXSJUBEYFRBDE-UHFFFAOYSA-N	278.352	1.561	10	20	CDCD	
CCC[C@@](C)(O)CNC(=O)c1c(F)ccc(O)c1O	295723895	DVFNWORIOOUNHH-CYBMUJFWSA-N	271.288	1.518	10	20	CDCD	
CCn1nncc1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	293526915	QWBIHVNCUPTHHQ-VIFPVBQESA-N	290.323	1.070	10	20	CDCD	
COc1cccc(O)c1CN1CCC(F)(F)[C@@H](CO)C1	812775154	HNNZGSKMDGGCTH-SNVBAGLBSA-N	287.306	1.850	10	20	CDCD	
Cc1cc(O)c(CN2CC[C@@H](O)[C@@H](CO)C2)cc1Cl	826123029	CQEHHTFZHVFDHN-DGCLKSJQSA-N	285.771	1.529	10	20	CDCD	
COc1cc(O)c(CN2C[C@@H](C)[C@](C)(CO)C2)cc1OC	827700630	WAQAESVXLMTRCN-BZNIZROVSA-N	295.379	1.860	10	20	CDCD	
CO[C@@]1(C(=O)NCc2ccc(O)c(O)c2)CCSC1	901131642	NCJYSQFMANFERU-ZDUSSCGKSA-N	283.349	1.236	10	20	CDCD	
CCOc1cccc(CN2CCC(O)(CO)CC2)c1O	827146567	GKHBDVLXGRHFRV-UHFFFAOYSA-N	281.352	1.110	10	20	CDCD	
OC[C@@H]1[C@H]2CN(Cc3ccc(Br)cc3O)C[C@H]21	825962989	DIXGIZMPTBJBHT-GDNZZTSVSA-N	298.180	1.825	10	20	CDCD	
COc1cccc(CNc2ccc(-c3nn[nH]n3)cn2)c1O	737133132	XXJMZOZOSCGIFD-UHFFFAOYSA-N	298.306	1.588	10	20	CDCD	
COc1cccc(CNC(=O)NC[C@@H]2CC[C@H](C)O2)c1O	838744977	MTSFDHKZRSVGAG-JQWIXIFHSA-N	294.351	1.768	10	20	CDCD	
O=C1[C@@H](NCc2cc(F)ccc2O)C[C@H]2CCCCN12	835075012	UJGYWFALLPANIB-OLZOCXBDSA-N	278.327	1.774	10	20	CDCD	
C[C@H](N[C@@H]1CC[C@H](C(N)=O)C1)c1cc(F)cc(F)c1O	834906875	IOHQWXVERUTYNQ-OYNCUSHFSA-N	284.306	1.975	10	20	CDCD	
COc1ccc(O)c(CNC(=O)N[C@@H](C)[C@H]2CCOC2)c1	745821263	XJTPLPZZIPKFKF-QWRGUYRKSA-N	294.351	1.625	10	20	CDCD	
C[C@H](CN)NC(=O)NCc1ccc(N(C)C)c(F)c1	841762717	ZUYDFEJMQBNTMT-SECBINFHSA-N	268.336	1.038	10	20	CDCD	
COCCNC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C	840238077	HPYYDAAQVTUIIK-CYBMUJFWSA-N	293.411	1.938	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCO[C@@H]1C(F)(F)F	912084974	MEAKVWCNJZCPRJ-SNVBAGLBSA-N	277.198	1.459	10	20	CDCD	
CCNCC(=O)NCc1ccc2c(c1)CCCN2C	844177346	JTRBYDQLMHFJJW-UHFFFAOYSA-N	261.369	1.295	10	20	CDCD	
COc1ccc(O)c(CNC[C@@H]2CCCNC2)c1	841033226	QEZLZAZXLQKGBH-LLVKDONJSA-N	250.342	1.490	10	20	CDCD	
CCCN(C(=O)C(=O)Nc1ccc(N)cc1)C1CC1	841112561	MNOUFCUSOMQQQB-UHFFFAOYSA-N	261.325	1.608	10	20	CDCD	
CC[C@@H](O)CNC(=O)c1cc(C)n(-c2ccccn2)c1C	855742069	JEIXADRAOIAVEM-CYBMUJFWSA-N	287.363	1.990	10	20	CDCD	
C[C@H](NC[C@]1(O)CCSC1)c1cc([N+](=O)[O-])ccc1O	756637569	NUUDHXWOPSETQM-TVQRCGJNSA-N	298.364	1.819	10	20	CDCD	
COC[C@H](CN[C@@H](C)c1cc(C(=O)OC)ccc1O)OC	757636117	BGIVRQAAMNWMKL-JQWIXIFHSA-N	297.351	1.491	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@H]1CCCN(C(N)=O)C1	769282605	OEFWWNPVAFOAMA-LBPRGKRZSA-N	291.351	1.141	10	20	CDCD	
CN1CCN(C(=O)/C=C/c2cn(C)cn2)c2ccccc2C1	931951825	UPARIFASFNXLCK-BQYQJAHWSA-N	296.374	1.912	10	20	CDCD	
CCOC(=O)CN(Cc1c(O)cccc1OC)C1CC1	768755746	XPYRTBXNCZISSQ-UHFFFAOYSA-N	279.336	1.928	10	20	CDCD	
O=C(NCc1cccc(Br)c1O)c1cnc[nH]1	765766860	CYAZNQHYDDYLHS-UHFFFAOYSA-N	296.124	1.808	10	20	CDCD	
CCCCOCCNC(=O)CN(C)c1ccc(N)cc1	863557297	MLWTUMRCADTBDF-UHFFFAOYSA-N	279.384	1.638	10	20	CDCD	
CCC[C@@H]1CN(Cc2cc3c(cc2O)OC[C@H]3O)CCO1	768465657	OPNIUDIDXUCFMJ-IUODEOHRSA-N	293.363	1.819	10	20	CDCD	
CN(C)c1ccc([C@H](N)CNCc2ccn(C)c2)cc1	863641432	BYFQOBVCSFVAFN-MRXNPFEDSA-N	272.396	1.881	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)c1cnn2ccccc12	762262156	RMKRREMCNMQCPS-UHFFFAOYSA-N	297.314	1.718	10	20	CDCD	
CNC(=O)[C@H]1CCC[C@H]1NCc1c(C)cccc1O	877119154	BSHVCVTZCQJGGI-WCQYABFASA-N	262.353	1.705	10	20	CDCD	
C[C@H](C(=O)NCCc1ccc(O)c(O)c1)c1cnn(C)c1	762267331	DWZVOUXJMXBZCP-JTQLQIEISA-N	289.335	1.294	10	20	CDCD	
COC(=O)[C@@H](C)CN(C)Cc1c(C)cccc1O	876618076	YXTGRNNCGRQNEG-NSHDSACASA-N	251.326	1.942	10	20	CDCD	
COc1cc(C)cc(CN2C[C@H]3COC[C@H]3C2)c1O	872784624	OQQKDPKJOFASOE-BETUJISGSA-N	263.337	1.787	10	20	CDCD	
COc1cccc(CNC(=O)[C@H](OC)C(C)C)c1O	771417854	OJWYNFKMHDPSJL-CYBMUJFWSA-N	267.325	1.688	10	20	CDCD	
C[C@@H]1C(=O)N(C)CCN1Cc1ccc(N(C)C)c(F)c1	779199778	LERQHBAOKRIUQY-LLVKDONJSA-N	279.359	1.554	10	20	CDCD	
C[C@@H]1CN(C(=O)/C=C\c2ccc(O)c(O)c2)CC[C@H]1O	779267167	GGRAEGCGJOQVHF-SIIXBRRKSA-N	277.320	1.340	10	20	CDCD	
Cc1cccc(O)c1CNC[C@@H]1CCS(=O)(=O)C1	876913242	OZTDJSJKGJBIFF-NSHDSACASA-N	269.366	1.225	10	20	CDCD	
C[C@@H](NC(=O)N1CC[C@H](CO)C1)c1ccc(N(C)C)cc1	776245871	OYMLRNAGZYGIID-OLZOCXBDSA-N	291.395	1.837	10	20	CDCD	
CC(=O)NC(C)(C)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	773018505	MEFQZOHOBXBIOE-LLVKDONJSA-N	291.395	1.845	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N[C@H](CO)CC1CC1	779547426	KVONVNSMXUCWCU-RNZFLTOJSA-N	277.320	1.388	10	20	CDCD	
CC[C@@H]1C(=O)N(CC)CCN1Cc1cccc(OC)c1O	779214606	CCKBRKZJEVEJDQ-CYBMUJFWSA-N	292.379	1.844	10	20	CDCD	
C[C@@H](N[C@H](C)c1c(O)cccc1F)C(=O)N(C)C	886549255	FCWVUVGMHWTHOM-RKDXNWHRSA-N	254.305	1.659	10	20	CDCD	
COC[C@H](NCc1cc(Cl)cc(F)c1O)C(=O)OC	789577025	VKTYOWDQZZZTOU-JTQLQIEISA-N	291.706	1.462	10	20	CDCD	
CC(C)OCCC(=O)OCC(=O)c1ccc(O)c(O)c1	782726709	QUBJVCCOGWSSDO-UHFFFAOYSA-N	282.292	1.639	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)NOC[C@H]1CCOC1	788568721	CKBRSKHSVVTQNF-MORRKMRCSA-N	279.292	1.195	10	20	CDCD	
COc1cc(C)cc(CN2CC[C@H](C)[C@H]2CO)c1O	894535228	XIDUTNCLMSYFAP-WCQYABFASA-N	265.353	1.912	10	20	CDCD	
COc1cc(C)cc(CN2CCN3C(=O)CC[C@H]3C2)c1O	893984219	LWYNHVAZYCSLQH-ZDUSSCGKSA-N	290.363	1.516	10	20	CDCD	
COc1cc(O)c(CNC[C@@H]2CC(C)=NO2)cc1OC	895306803	KEDNJPRLILSKGQ-NSHDSACASA-N	280.324	1.664	10	20	CDCD	
COc1ccc(CNC(=O)NC(C)(C)C)c(O)c1	794923436	KZCLMURVCCOTFU-UHFFFAOYSA-N	252.314	1.999	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)C(=O)NCCCC1CC1	1329104888	NVINGRSAZYKZDT-UHFFFAOYSA-N	290.363	1.657	10	20	CDCD	
COC[C@@H]1CCCN1C(=O)c1cccc(O)c1O	702763325	COKHXRPQRVZDET-VIFPVBQESA-N	251.282	1.349	10	20	CDCD	
C[C@@H]1CN(Cc2ccc(N3CCCC3)cc2)C[C@H](CO)O1	1320642708	GQVMYZDYFJBWIH-RHSMWYFYSA-N	290.407	1.868	10	20	CDCD	
CO[C@H]1C[C@H](NC(=O)c2cccc(O)c2O)C12CCC2	713144741	KZQHHHVZBRBCAH-RYUDHWBXSA-N	277.320	1.785	10	20	CDCD	
Cc1cc(O)ccc1NS(=O)(=O)c1c(C)nn(C)c1C	80357935	DWZHQQNSIGFETC-UHFFFAOYSA-N	295.364	1.852	10	20	CDCD	
CN(CCOCCN)Cc1c(O)cccc1Cl	699492595	XQGOJBYNTRBIGX-UHFFFAOYSA-N	258.749	1.453	10	20	CDCD	
COc1cccc(O)c1CNC[C@@]1(O)CCO[C@H]1C	788536527	PUEFYAHZRJNOHT-HZMBPMFUSA-N	267.325	1.030	10	20	CDCD	
Nc1ccc(CCNC(=O)NCC[C@@H](O)C2CC2)cc1	1346477525	GJHAQIXUNNBLLH-CQSZACIVSA-N	277.368	1.272	10	20	CDCD	
CN(C)c1cc(F)c(CNCCCCO)cc1F	1351331189	QOZSEEMZQPNCTM-UHFFFAOYSA-N	258.312	1.893	10	20	CDCD	
CCCC[C@@H](NC(=O)Cc1ccc(O)c(O)c1)C(=O)O	1605241577	BMNRZZIRSIDTND-SNVBAGLBSA-N	281.308	1.400	10	20	CDCD	
C[C@@H]1[C@@H](C(=O)O)CCN1Cc1cc2c(cc1O)OC[C@@H]2O	1604638145	VAFRBKPOMFBJON-DVYJOKAKSA-N	293.319	1.113	10	20	CDCD	
CCOc1cccc(CN2CCC[C@H](O)[C@@H]2C(=O)O)c1O	1610044682	HKOMVASQVKHBFN-WCQYABFASA-N	295.335	1.201	10	20	CDCD	
CCC(CC)(CN)C(=O)NCc1c(O)cccc1O	1577050804	FPBVVSICCVCKMM-UHFFFAOYSA-N	266.341	1.479	10	20	CDCD	
COC[C@@H](C)NC(=S)NCc1ccc(N(C)C)cc1	18165344	GAODFLCPENHPQE-LLVKDONJSA-N	281.425	1.752	10	20	CDCD	
Nc1ccc(NC(=O)N2C[C@H]3[C@@H](O)CC[C@H]3C2)cc1	123884798	KWCNAIPAKWIPSZ-BIMULSAOSA-N	261.325	1.503	10	20	CDCD	
C[C@H](NCC(=O)NCC(F)F)c1ccc(N(C)C)cc1	275048914	ZOYGXAWSBUFYFB-JTQLQIEISA-N	285.338	1.785	10	20	CDCD	
CC[C@@H]1NCC[C@@H]1C(=O)NCc1ccc(N(C)C)cc1	289463690	ACNSJPLNGSBQGT-GJZGRUSLSA-N	275.396	1.757	10	20	CDCD	
CN(C)c1ccc(CN2CCCO[C@@H](CN)C2)cc1	313348687	HRVWLLHOHBBAGC-HNNXBMFYSA-N	263.385	1.302	10	20	CDCD	
COc1ccc(O)c(CNC(=O)CCN2CCCC2=O)c1	114541909	CYLWTSFRETTYJC-UHFFFAOYSA-N	292.335	1.030	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2cn[nH]c2C)c1	172328015	XNFUSQRKZDIOQE-MRVPVSSYSA-N	275.308	1.923	10	20	CDCD	
O=C(N=S1(=O)CCCC1)c1cccc(O)c1O	310192529	ANFKSTHPVQQURL-UHFFFAOYSA-N	255.295	1.500	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)NCCO)cc1	57420279	ZASFJDCQWZVITL-UHFFFAOYSA-N	265.357	1.324	10	20	CDCD	
Cc1ccc(C(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)c(O)c1O	179514864	VVZDLRSSQIECTI-WCQYABFASA-N	292.379	1.818	10	20	CDCD	
COc1ccc(O)c(CNC(=O)NCc2cccnc2)c1	172064137	RYXVUFZOMFSEMQ-UHFFFAOYSA-N	287.319	1.795	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N[C@]2(C)CCOC2)cc1F	123753047	GUYUSTMGHNNHHB-OAHLLOKOSA-N	295.358	1.870	10	20	CDCD	
CCN(C)C(=O)CCN[C@H](C)c1cc(OC)ccc1O	182415133	CXADTNNLXNHRFX-LLVKDONJSA-N	280.368	1.920	10	20	CDCD	
CC[C@@](C)(O)CNC(=O)/C=C/c1ccc(O)c(O)c1	181142820	UFRUMHKDOYWPFI-HZRUHFOJSA-N	265.309	1.388	10	20	CDCD	
CN(C)c1ccc(CNC(=O)Cn2cc(Cl)cn2)cc1	77956778	PUHIPXNEFSXYJO-UHFFFAOYSA-N	292.770	1.919	10	20	CDCD	
C[C@H](O)CN(Cc1ccc(N(C)C)cc1)[C@@H](C)CO	191221091	XBLUSLKKYPXWBX-STQMWFEESA-N	266.385	1.316	10	20	CDCD	
Cc1ccc(O)c(CN2C[C@@H](CO)O[C@H](C)C2)c1	191520826	UOFFQJCDZAOOTM-YPMHNXCESA-N	251.326	1.282	10	20	CDCD	
COC(=O)N[C@@H](C(=O)NCCc1ccc(N)cc1)C(C)C	237281706	KLNXBCQWSSLKOV-CYBMUJFWSA-N	293.367	1.308	10	20	CDCD	
COc1ccc(CN[C@H]2CCOC[C@@H]2C)c(O)c1	385316830	GPVVXLUGEHPUCD-GWCFXTLKSA-N	251.326	1.915	10	20	CDCD	
CO[C@@H](C)CCNC(=O)c1ccc(C)c(O)c1O	272723190	FROGOZNGZCJWEG-VIFPVBQESA-N	253.298	1.561	10	20	CDCD	
Cc1ccc(O)c(CN2CCN([C@@H]3CCC[C@H]3O)CC2)c1	371326971	LABQXJVSKQDJTL-NVXWUHKLSA-N	290.407	1.732	10	20	CDCD	
Cc1noc(C2CN(C(=O)c3ccc(C)c(O)c3O)C2)n1	370489203	ABKAQPFWPDIWJS-UHFFFAOYSA-N	289.291	1.337	10	20	CDCD	
C[C@@H](NCc1cc(Cl)ccc1O)C(=O)NCCF	800292486	RDQWBYYXQSUHMP-MRVPVSSYSA-N	274.723	1.609	10	20	CDCD	
CS(=O)(=O)[C@H]1CCCN(Cc2ccccc2O)CC1	800533349	BCROWLRPGIFZBU-ZDUSSCGKSA-N	283.393	1.791	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN(C)CCCN(C)C)c1O	809729914	SMVGZTRAOJMFBQ-UHFFFAOYSA-N	297.355	1.693	10	20	CDCD	
COc1ccc(CNC(=O)N[C@@H]2CSC[C@H]2C)c(O)c1	805790496	AMPNXZGISOQQQL-BXKDBHETSA-N	296.392	1.952	10	20	CDCD	
CCNC(=O)[C@@H](NCc1cccc(OC)c1O)C(C)C	292844234	BJWZAYNFHMSXLQ-ZDUSSCGKSA-N	280.368	1.651	10	20	CDCD	
C[C@H](NC[C@@H](N)c1ccc(N(C)C)cc1)c1ccn(C)n1	817940121	FJZPVDAQUZGCIC-SWLSCSKDSA-N	287.411	1.837	10	20	CDCD	
C[C@H](NC1CCNCC1)c1cc([N+](=O)[O-])ccc1O	817936734	QSBZWNVXDMWZOA-VIFPVBQESA-N	265.313	1.703	10	20	CDCD	
CCCCOCCNC(=O)c1c(F)ccc(O)c1O	825600500	LHQOVCBWDRAOFZ-UHFFFAOYSA-N	271.288	1.783	10	20	CDCD	
CN(Cc1ccc(N2CCOCC2)c(F)c1)C1(CO)CC1	827904079	UQXILMKMURAWCU-UHFFFAOYSA-N	294.370	1.619	10	20	CDCD	
COc1ccc(N(C)Cc2cc(=O)c(O)co2)cc1OC	733897578	JHIJMMRIUFAYIS-UHFFFAOYSA-N	291.303	1.999	10	20	CDCD	
CCOc1ccc(CN[C@@H](C)CC(=O)NC)c(O)c1	825068843	YNZIGANSMAWXIQ-JTQLQIEISA-N	266.341	1.405	10	20	CDCD	
COc1cccc(CNC(=O)N[C@H]2CO[C@H](C)C2)c1O	828427671	POXMBCTYKWZPDM-MWLCHTKSSA-N	280.324	1.377	10	20	CDCD	
O=C(O)C[C@H]1CCCCN1Cc1cc2c(cc1O)OCO2	739639359	LINRDWIRVNDPLK-LLVKDONJSA-N	293.319	1.950	10	20	CDCD	
O=C(CNC(=O)c1cc(O)cs1)Nc1cccc(F)c1	732280204	CGACTTDBEUMKJC-UHFFFAOYSA-N	294.307	1.961	10	20	CDCD	
CN[C@H]1CCN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1	841882335	JKGCNLYWPDAJSK-JSGCOSHPSA-N	290.411	1.817	10	20	CDCD	
Cc1ccc(C(=O)N(C)CCN2CCCCC2)c(O)c1O	846615022	WDALDNQLDLYQGX-UHFFFAOYSA-N	292.379	1.964	10	20	CDCD	
NCC1(O)CCN(Cc2cccc(Cl)c2O)CC1	841107354	GWVNDLFUWHJTDM-UHFFFAOYSA-N	270.760	1.331	10	20	CDCD	
C[C@H]1C[C@H]1C(=O)N(CC(=O)O)Cc1ccccc1O	911483969	IBBSANKRINONLL-GXSJLCMTSA-N	263.293	1.461	10	20	CDCD	
NC[C@@H]1CCCN(Cc2ccc(N3CCOCC3)cc2)C1	843046819	BJZJJNSLGJHLRJ-INIZCTEOSA-N	289.423	1.694	10	20	CDCD	
C[C@H]1CCN(Cc2cc3c(cc2O)OCO3)C[C@H]1CN	841101319	SMTBJTNXRLTOHK-CMPLNLGQSA-N	278.352	1.538	10	20	CDCD	
C[C@H](CN(C)C(=O)NCc1ccc(N(C)C)cc1)C(=O)O	840983745	UOJYDMZSRNNGMN-LLVKDONJSA-N	293.367	1.615	10	20	CDCD	
Nc1ccc(Cc2noc([C@H]3COCCO3)n2)cc1	843160485	YRVCYMOUNRNSQB-LLVKDONJSA-N	261.281	1.331	10	20	CDCD	
CNC[C@@H]1CCN(Cc2ccc(N(C)C)c(F)c2)C1	843052933	PEQVHNOEALUBCY-ZDUSSCGKSA-N	265.376	1.933	10	20	CDCD	
C[C@@H](N)[C@@H]1CCCCN1Cc1cc2c(cc1O)OCO2	843045913	LSURCZVODUNGJM-PWSUYJOCSA-N	278.352	1.823	10	20	CDCD	
Cc1cc(O)c(CN2CC[C@@H](C(=O)N(C)C)C2)cc1C	840176344	CVGOMHYWGBABHM-CYBMUJFWSA-N	276.380	1.919	10	20	CDCD	
C[C@@H]1CCCN(Cc2cc(O)n3ncc(C(=O)O)c3n2)C1	846231756	OQRVYRZUUIHVAO-SECBINFHSA-N	290.323	1.365	10	20	CDCD	
Nc1ccc(CCNC(=O)NC[C@H]2CCC[C@@H](O)C2)cc1	841955102	UTXJXPOXJUWRKC-DZGCQCFKSA-N	291.395	1.662	10	20	CDCD	
CN1CCC(ONC(=O)c2cc(O)cs2)CC1	846648076	ODQQPVPKAXKFAW-UHFFFAOYSA-N	256.327	1.209	10	20	CDCD	
O=C(O)c1ccc(O)c([C@@H]2NC(=O)c3ccccc3N2)c1	740155782	SFBRHCNRGNGCLQ-ZDUSSCGKSA-N	284.271	1.945	10	20	CDCD	
CCc1cccc(CNCCN2CCCOCC2)c1O	848911823	ISEBFAORBRIOBD-UHFFFAOYSA-N	278.396	1.767	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2cc(O)n(C)n2)cc1	854271749	PYHRJGDDNBHKEN-UHFFFAOYSA-N	274.324	1.122	10	20	CDCD	
CCn1nncc1CNCc1cc([N+](=O)[O-])ccc1O	858203688	ZNKYRKRZOHSFOD-UHFFFAOYSA-N	277.284	1.202	10	20	CDCD	
CCn1cnnc1CCN[C@@H](C)c1cc(OC)ccc1O	756733638	RLLCQJAHOQTBEJ-NSHDSACASA-N	290.367	1.906	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NCCn2cccn2)c1	858277441	NAFBJQHUIKGRGS-UHFFFAOYSA-N	274.324	1.397	10	20	CDCD	
Cc1ccc(C(=O)OC[C@@H]2CCCOC2)c(O)c1O	760771056	LWQZWHQDOFSHMO-SNVBAGLBSA-N	266.293	1.990	10	20	CDCD	
CN(Cc1nc[nH]n1)Cc1cc(F)c(N(C)C)cc1F	862246513	KBVIEHFDJJVMCH-UHFFFAOYSA-N	281.310	1.781	10	20	CDCD	
COC(=O)CCC(C)(C)NCc1cc2c(cc1O)OCO2	762785393	HTVAQNBYTXPUEG-UHFFFAOYSA-N	295.335	1.942	10	20	CDCD	
CCC[C@H](CCO)NCc1cc([N+](=O)[O-])ccc1O	865662514	AHOPFFIHVLYSGY-LLVKDONJSA-N	268.313	1.941	10	20	CDCD	
COc1ccc(O)c(CN[C@@H](C)[C@H](O)C(F)(F)F)c1	877693629	MKNNOIYURWYVOO-CPCISQLKSA-N	279.258	1.802	10	20	CDCD	
CN(C)c1ccc(CNC(=O)C(C)(C)CO)cc1	776320995	PVPRLPVRYMQESF-UHFFFAOYSA-N	250.342	1.387	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1CCC(CO)(CO)CC1	877796431	MMEDGYYBAIVLFC-UHFFFAOYSA-N	292.423	1.628	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2CCNC(C)(C)C2)c1O	774861005	DCQYINXUTKBQAR-UHFFFAOYSA-N	295.339	1.493	10	20	CDCD	
C[C@H](N)CC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	1122413843	CEKXUZMZYSOZGQ-SWLSCSKDSA-N	292.427	1.209	10	20	CDCD	
CCOc1cccc(CN[C@@H](COC)C(=O)OC)c1O	789576897	SHMIWDGXWVQVND-NSHDSACASA-N	283.324	1.069	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CN2CC[C@H](CF)C2)cc1	880295645	WHNRSEKFFXCUFT-CQSZACIVSA-N	293.386	1.660	10	20	CDCD	
C[C@@H]1OCC[C@]1(O)CNCc1c(O)ccc(Cl)c1F	788537067	UJRVJAWRFGUYHD-SDBXPKJASA-N	289.734	1.814	10	20	CDCD	
COc1ccc(O)c(CNC(=O)NC[C@@H]2CCC=CO2)c1	780462715	PVBFDHMDNMFIER-ZDUSSCGKSA-N	292.335	1.893	10	20	CDCD	
O=S(=O)(C[C@@H]1CCCOC1)Nc1ccc(O)cc1F	795349245	XHJUFCHMDGZXBP-SECBINFHSA-N	289.328	1.700	10	20	CDCD	
COc1ccc(CNC(=O)c2ccc(=O)n(C)c2)c(O)c1	794377078	LXAKPDDKUJDJMY-UHFFFAOYSA-N	288.303	1.030	10	20	CDCD	
C[C@@H](NCc1nncn1C)c1cc(F)ccc1O	94617736	RDCQABRKMKAZGS-MRVPVSSYSA-N	250.277	1.511	10	20	CDCD	
Cc1ccc(O)c([C@@H](C)NCC2(CO)COC2)c1	186146080	SCSKEVNJIATUIE-LLVKDONJSA-N	251.326	1.360	10	20	CDCD	
CN1CCN(c2ccc(CNCCF)cc2F)CC1	1321299627	ODEPDAZLMJEKQC-UHFFFAOYSA-N	269.339	1.637	10	20	CDCD	
C[C@@H]1C[C@@H](CNC(=O)c2cccc(O)c2O)[C@@H](C)O1	686402237	XEMLRWQYJVQBOK-BBBLOLIVSA-N	265.309	1.641	10	20	CDCD	
COC(=O)C(C)(C)CNCc1ccc(OC)c(OC)c1O	1336698599	RMSWLQFJNLGSND-UHFFFAOYSA-N	297.351	1.698	10	20	CDCD	
C[C@@H](N)C[C@@H](C)NC(=O)NCc1ccc(N)cc1	1346499821	DOGIZAQTNHRBDH-NXEZZACHSA-N	250.346	1.194	10	20	CDCD	
O=C(NCc1cccc(O)c1O)[C@H]1CCCC[C@H]1C(=O)O	1601542683	ONSDLVRZOATQFM-WDEREUQCSA-N	293.319	1.605	10	20	CDCD	
CCOc1ccc(N(C)C[C@@H]2CC3(CNC3)C(=O)O2)cc1	1578182024	XEOZCAIURUEWSF-AWEZNQCLSA-N	290.363	1.427	10	20	CDCD	
C[C@H](NCC1([S@](C)=O)CC1)c1cc(C(=O)O)ccc1O	1593247208	FGZOHADBHOLWNX-LXGOIASLSA-N	297.376	1.652	10	20	CDCD	
NC(=O)C1CCN(Cc2c(O)cccc2Cl)CC1	158615902	HTJUNEFIKRSHBS-UHFFFAOYSA-N	268.744	1.743	10	20	CDCD	
CC(C)(C)n1cc(C(=O)NCc2ccc(O)c(O)c2)cn1	159017137	PXWSOVYGSVMKFL-UHFFFAOYSA-N	289.335	1.979	10	20	CDCD	
CC1(CNC(=O)c2cccc(O)c2O)CCOCC1	229413232	BIKIWDYATVYWCA-UHFFFAOYSA-N	265.309	1.644	10	20	CDCD	
COC[C@H](CN[C@H](C)c1ccc(F)cc1O)OC	230672173	IUCYUJBPUAZWJP-KOLCDFICSA-N	257.305	1.843	10	20	CDCD	
COC1CCN(Cc2cc3c(cc2O)OCO3)CC1	48398951	YJFQIAQYFDJTNK-UHFFFAOYSA-N	265.309	1.732	10	20	CDCD	
CC[C@@H](C(=O)OC)N1CCN(c2ccc(OC)cc2)CC1	54145921	KKLNDZFEJIJYOL-HNNXBMFYSA-N	292.379	1.769	10	20	CDCD	
Cn1nc2c(cc1=O)CN(Cc1cc(F)ccc1O)CC2	180217577	HYUXRBAZLSVFTA-UHFFFAOYSA-N	289.310	1.183	10	20	CDCD	
COC[C@H]1CN(Cc2cc(F)cc(C(C)=O)c2O)CCO1	79463823	RXWJHYMCFSGDDO-CYBMUJFWSA-N	297.326	1.581	10	20	CDCD	
CNC(=O)CCCC(=O)NCc1ccc(N(C)C)cc1	183318616	WZTMMFQCVQDIJV-UHFFFAOYSA-N	277.368	1.285	10	20	CDCD	
CCCN(Cc1ccccc1O)[C@H]1CCN(C)C1=O	174372165	TVAAADMGHAVHCZ-ZDUSSCGKSA-N	262.353	1.835	10	20	CDCD	
CS(=O)(=O)NCc1ccc(N2CCSCC2)cc1	48671858	ZIDRIIVPGSUONH-UHFFFAOYSA-N	286.422	1.289	10	20	CDCD	
CC(=O)N[C@H]1CCN(Cc2cc(Cl)ccc2O)C1	228356814	MZOYCOZDBGGVJC-LBPRGKRZSA-N	268.744	1.756	10	20	CDCD	
COc1ccc(O)c(CN2C[C@@H]3CCCN[C@@H]3C2)c1	221366127	AYVXTZQJGFXQBI-SMDDNHRTSA-N	262.353	1.585	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@@]2(C)CCCNC2)c1	237208314	TZNATWWHWYHNJR-BZNIZROVSA-N	292.379	1.968	10	20	CDCD	
CO[C@H]1CCN(Cc2cc(F)cc(C(C)=O)c2O)C1	234889381	QGYBPHFVXDDFOJ-LBPRGKRZSA-N	267.300	1.955	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CC[C@@H](N)C1	237151341	GAPDWDNRWYGZJS-NWDGAFQWSA-N	289.379	1.605	10	20	CDCD	
CCOc1ccc(CNCc2cnnn2CC)c(O)c1	527725683	GNEUGDUYZIWPER-UHFFFAOYSA-N	276.340	1.692	10	20	CDCD	
Nc1ccc(CCNC(=O)[C@@]23CCCC[C@H]2CNC3)cc1	262258199	UDRNGCQBQQIRCJ-WMLDXEAASA-N	287.407	1.707	10	20	CDCD	
CCN(C)c1ccc([C@H](C)NC[C@@]2(O)CCOC2)cc1	271494021	LAJHQRNASUSJGC-BBRMVZONSA-N	278.396	1.945	10	20	CDCD	
COC(=O)[C@H]1C[C@@H](OC)CCN1Cc1cccc(C)c1O	371530138	WSBZPFRLFDHGJS-UONOGXRCSA-N	293.363	1.853	10	20	CDCD	
COc1ccc(N(C)Cc2nc(C)n[nH]2)c(OC)c1	293077034	HJRLCNWLRLFLJX-UHFFFAOYSA-N	262.313	1.767	10	20	CDCD	
CC1(C)CCC[C@@]1(O)CNC(=O)c1c(F)ccc(O)c1O	295229017	CFJOKIGWUJQTQS-OAHLLOKOSA-N	297.326	1.908	10	20	CDCD	
COc1ccc(O)c(CN2CC[C@H](OC(=O)N(C)C)C2)c1	295178932	VKDYNBORGWEQDC-ZDUSSCGKSA-N	294.351	1.673	10	20	CDCD	
O=C(NC[C@@H]1CCCS(=O)(=O)C1)c1cc(O)cs1	807799707	PJWVGSKCQQMBBS-QMMMGPOBSA-N	289.378	1.008	10	20	CDCD	
Cc1ccc(C(=O)N[C@H](C)CC(C)(C)O)c(O)c1O	297114757	GNMGLEOIERYSBJ-SECBINFHSA-N	267.325	1.686	10	20	CDCD	
C[C@H](OC[C@@H]1CCCO1)C(=O)NCc1ccccc1O	299617472	YUYCXOAAROCWPJ-AAEUAGOBSA-N	279.336	1.593	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@H]2CCc3nncn3C2)cc1	814254852	LGBJUAHVWBYDSR-CYBMUJFWSA-N	299.378	1.223	10	20	CDCD	
C[C@@H](NC[C@@H]1CNCCCO1)c1ccccc1O	817982446	SMAITWXWVVGWCG-NEPJUHHUSA-N	250.342	1.421	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(O)nn2)c1	728980327	BONMYXJMIAHYIQ-MRVPVSSYSA-N	289.291	1.387	10	20	CDCD	
CN1CC[C@@H](C(=O)NCc2ccc(N(C)C)c(F)c2)C1	729528931	LSSZIDWBDAZMLM-GFCCVEGCSA-N	279.359	1.460	10	20	CDCD	
C[C@]1(C(=O)O)CCN(Cc2cc3c(cc2O)OCO3)C1	828029033	NLRWSJKZMMKFNQ-AWEZNQCLSA-N	279.292	1.418	10	20	CDCD	
COc1cccc(O)c1CN(C)Cc1cn(C)nn1	827305487	SVXPKNDZRBPULA-UHFFFAOYSA-N	262.313	1.161	10	20	CDCD	
COc1ccc(O)c(CN2CC[C@@H]3NC(=O)CC[C@H]3C2)c1	827131778	CFFULGLZQBHZPN-FZMZJTMJSA-N	290.363	1.501	10	20	CDCD	
CCc1nc[nH]c1C(=O)NCCc1ccc(O)c(O)c1	907058024	USBUZXDWQSGILE-UHFFFAOYSA-N	275.308	1.356	10	20	CDCD	
CCC1(C(=O)NC[C@H](N)c2ccc(N(C)C)cc2)COC1	832267285	POBKETQPVAQJCM-AWEZNQCLSA-N	291.395	1.295	10	20	CDCD	
CCS(=O)(=O)C[C@@H](C)NC(=O)c1cc(O)cs1	733368907	DHGUGYQVHARMGZ-SSDOTTSWSA-N	277.367	1.007	10	20	CDCD	
CC(C)NC(=O)CCNC(=O)NCCc1ccc(N)cc1	841715730	XFPSLTGKPUCDDU-UHFFFAOYSA-N	292.383	1.025	10	20	CDCD	
CN(C)c1ccc([C@@H](N)CNC(=O)C(C)(C)F)cc1	844162416	BFWBCFIKLFJKFY-LBPRGKRZSA-N	267.348	1.617	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNCCNC(=O)C(C)C	840927946	IKYPFRGNYBPFPS-UHFFFAOYSA-N	277.412	1.923	10	20	CDCD	
COCC[C@H](C)CNC(=O)NCc1ccc(OC)cc1O	840396537	QVXOWQIZVSZFQL-NSHDSACASA-N	296.367	1.873	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NCC2(N(C)C)CC2)c1	922983152	JZPQKOSFJBNULT-UHFFFAOYSA-N	277.368	1.594	10	20	CDCD	
CCCCCNC(=O)[C@H](C)OC(=O)c1cccc(O)c1O	758558839	AMCHTFJSWXBMPV-JTQLQIEISA-N	295.335	1.950	10	20	CDCD	
COc1cccc(O)c1CNC[C@@H](CO)CC1CC1	850388504	NFQQCEGUTYQWES-LBPRGKRZSA-N	265.353	1.899	10	20	CDCD	
CCS(=O)(=O)CCN(C)Cc1c(C)cccc1O	876765993	YSTSTYPKAMWGFS-UHFFFAOYSA-N	271.382	1.567	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)COCC(F)(F)F)c1	862757379	RMCVGBBLQCBMRM-UHFFFAOYSA-N	277.242	1.896	10	20	CDCD	
CCOc1ccc(O)c(CN(C)CC(=O)N2CCCC2)c1	768215488	VIHBKFALBWVPNB-UHFFFAOYSA-N	292.379	1.845	10	20	CDCD	
C[C@@H]1CN(C(=O)c2cc(O)cs2)CC[S@@](=O)C1	762924151	YKLFCJRGATUDFD-CQLKUDPESA-N	273.379	1.294	10	20	CDCD	
CCOC(=O)C1=NN(c2ccc3[nH]ncc3c2)C(=O)[C@H]1C	871957496	HIEOJGSWRSMIBJ-QMMMGPOBSA-N	286.291	1.465	10	20	CDCD	
Cc1ccc(CN2CCNC(=O)[C@@H]2C(C)C)c(O)c1	876687406	IUNVCHXIVXXOBJ-AWEZNQCLSA-N	262.353	1.657	10	20	CDCD	
Cc1cnc(CNC(=O)/C=C\c2ccc(O)c(O)c2)o1	779525037	HQBVWZWFERURAM-HYXAFXHYSA-N	274.276	1.724	10	20	CDCD	
CCc1cc(C(=O)NCc2ccc(O)c(O)c2)cc(O)n1	778926916	HEWFQVSAJSXYMZ-UHFFFAOYSA-N	288.303	1.691	10	20	CDCD	
CN(C)c1ccc(Cn2cc(CN3CCCC3)nn2)cc1	881272035	JRVUUGRYEOQUNO-UHFFFAOYSA-N	285.395	1.988	10	20	CDCD	
CCN(CC)c1ccc(CNS(=O)(=O)NC2CC2)cc1	772451894	BOWXWKXTRSIOPX-UHFFFAOYSA-N	297.424	1.619	10	20	CDCD	
O=C(NCc1cccc(O)c1O)[C@@H]1C[C@H]1C1CCOCC1	1123977937	MSVCNLHXLANIAO-QWHCGFSZSA-N	291.347	1.777	10	20	CDCD	
COCCOCCNCc1ccc2c(c1)CCO2	44424102	CEIPEACSKCREFO-UHFFFAOYSA-N	251.326	1.374	10	20	CDCD	
CNC(=O)CCNCc1c(O)ccc(Cl)c1F	790958388	OESDKRJJUXPYHE-UHFFFAOYSA-N	260.696	1.410	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCS[C@@H]2COCC[C@H]21	275078677	DBRSQXKEYPQYFC-ZYHUDNBSSA-N	295.360	1.444	10	20	CDCD	
CC(=O)N[C@@H](C(=O)N(C)c1ccc(N)cc1)C(C)C	702097301	LDZFSZGFXQYREZ-CYBMUJFWSA-N	263.341	1.392	10	20	CDCD	
COC[C@@H](CO)NCc1c(O)cccc1Br	706804017	AUEKMLDEBVDHAT-MRVPVSSYSA-N	290.157	1.252	10	20	CDCD	
C[C@@H](N)CN(C)Cc1ccc(N2CCN(C)CC2)c(F)c1	1335382656	PSRLZFMUXCJXPO-CYBMUJFWSA-N	294.418	1.357	10	20	CDCD	
C[C@@H]1CCN1C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1	1331964011	KOZKISQBPUSJAR-CYBMUJFWSA-N	299.374	1.300	10	20	CDCD	
C[C@H](NCc1nnnn1C1CC1)c1ccccc1O	775137035	QLYKBNJCUODGAL-VIFPVBQESA-N	259.313	1.564	10	20	CDCD	
CN(C)[C@@H]1CCC[C@H](NC(=O)NCc2ccc(N)cc2)C1	1262577385	OXRNLLGBYMOCAV-LSDHHAIUSA-N	290.411	1.941	10	20	CDCD	
C[C@H](O)[C@@H](C)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	1356114674	YGIDFPBDFVFZNL-DVOMOZLQSA-N	279.428	1.714	10	20	CDCD	
O=C(NCc1cccc(O)c1O)[C@@H]1CC12CCOCC2	1528771125	KRZHWPMPENCOHR-NSHDSACASA-N	277.320	1.531	10	20	CDCD	
CC(C)c1ccc(O)c(CN2CCC[C@@H](O)[C@H]2C(=O)O)c1	1604002780	NJZIEYYYIOPNKK-CABCVRRESA-N	293.363	1.926	10	20	CDCD	
CCOc1ccc(O)c(CN2C[C@@H](O)C[C@@H](C(=O)O)C2)c1	1610043605	WWJPVFKGCOQQEN-NEPJUHHUSA-N	295.335	1.058	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CC[C@H]2C(=O)O)c1	1594105180	GVOWHRLMGPSIMU-DVVUODLYSA-N	293.319	1.689	10	20	CDCD	
CCOc1ccc(CN[C@@H](C)CC(=O)O)c(O)c1	1592663086	DLIXDFZIDFOZCH-VIFPVBQESA-N	253.298	1.744	10	20	CDCD	
O=C(O)[C@H](NCc1ccc(N2CC[C@@H](O)C2)cc1)C1CC1	1777591865	HIQNWHQQHHRYSD-HUUCEWRRSA-N	290.363	1.210	10	20	CDCD	
COc1cccc(O)c1CN[C@H](C)CN1CCOCC1	921531949	GUDBBEBBWOGJRA-GFCCVEGCSA-N	280.368	1.211	10	20	CDCD	
CCc1cccc(CN[C@@H](C)CS(=O)(=O)CC)c1O	848896291	XKYDVHPWPNPOIN-NSHDSACASA-N	285.409	1.867	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CC[C@@H](C)[C@@H]2CO)c1O	227055800	ZUWQIEYDXDXMCR-OTYXRUKQSA-N	281.327	1.937	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC[C@@]2(OC)CCOC2)c1	123266188	VVLOEUWJFYLDPG-ABAIWWIYSA-N	281.352	1.857	10	20	CDCD	
O=C(CNCc1c(O)cccc1Cl)NCC1CC1	272655993	QQPKUWQQSDFAHF-UHFFFAOYSA-N	268.744	1.661	10	20	CDCD	
COc1ccc(O)c([C@H](C)NCc2nccn2C)c1	71273011	XFXDQVUQQNWDSJ-JTQLQIEISA-N	261.325	1.985	10	20	CDCD	
CN1CCC[C@H](N[C@@H]2CCc3cccc(O)c32)C1=O	704346655	YSIMYHJDFUVKGC-NEPJUHHUSA-N	260.337	1.590	10	20	CDCD	
C[C@@H](NC(=O)c1cccc(O)c1O)[C@H]1CCCOC1	389050860	RXRWDWGNGHBUPP-ZJUUUORDSA-N	265.309	1.643	10	20	CDCD	
COC(=O)C[C@H]1CN(Cc2cc(C)c(C)cc2O)CCO1	176139095	CCPGYXOCVSWAON-AWEZNQCLSA-N	293.363	1.773	10	20	CDCD	
C[C@@H](NCC1(CO)COC1)c1cc2c(cc1O)CCCC2	186146351	JMTYOEBCHXUYOC-GFCCVEGCSA-N	291.391	1.931	10	20	CDCD	
COc1ccc(O)c(CN2CCC(C(N)=O)CC2)c1	183468012	KZTPYBARADEGHE-UHFFFAOYSA-N	264.325	1.098	10	20	CDCD	
CC(C)CN1CC(=O)N[C@H]1c1ccc(N(C)C)cc1	77474156	IDECZFAAMHUWTE-OAHLLOKOSA-N	261.369	1.839	10	20	CDCD	
CC[C@@H](CO)NCc1cc(OC)c(OC)cc1O	188856647	HGPVDNMOAGYZLO-JTQLQIEISA-N	255.314	1.270	10	20	CDCD	
Cn1cc(NC(=O)/C=C/c2ccc(O)c(O)c2)ccc1=O	180687695	SLKGVZSHTQFLCL-ZZXKWVIFSA-N	286.287	1.448	10	20	CDCD	
CN(C)c1ccc(CN[C@@H]2[C@H]3C[C@@H]4CN[C@H]2[C@H]4C3)cc1	381306123	OITSLYAJKJYMNF-GWCDLVAZSA-N	271.408	1.839	10	20	CDCD	
Cc1ccc(O)c(CN2CC[C@H](C)S(=O)(=O)CC2)c1	192050502	COQYFIUERXVIBM-LBPRGKRZSA-N	283.393	1.710	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)[C@H]1CCCN1C1CC1	279659045	CDXBWWPEDUFJRL-GFCCVEGCSA-N	276.336	1.341	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)NC(C)C	272248724	XZWNMICQIMMVHD-UHFFFAOYSA-N	299.440	1.817	10	20	CDCD	
CC[C@H](C)[C@H](NC(C)=O)C(=O)NCc1ccccc1O	286873050	ZCKFXZZBDBOVSO-HZMBPMFUSA-N	278.352	1.559	10	20	CDCD	
C[C@@H](Cn1cccn1)NC(=O)N(C)Cc1ccccc1O	298701820	HKTYPMDXCCUPJZ-LBPRGKRZSA-N	288.351	1.819	10	20	CDCD	
C[C@H](N)C[C@@H](C)NC[C@@H](N)c1ccc(N(C)C)cc1	817940298	FVLKVLKKTMUXPJ-YWPYICTPSA-N	264.417	1.468	10	20	CDCD	
Cn1nc(C(=O)NCCc2ccc(N)cc2)cc1C1CC1	818546136	ZTPIJUSHMZIELZ-UHFFFAOYSA-N	284.363	1.852	10	20	CDCD	
CCc1cc(NC(=O)NCCc2ccc(N)cc2)nn1C	817869142	MEBAOOMNVNHSNY-UHFFFAOYSA-N	287.367	1.929	10	20	CDCD	
COc1cc(C)cc(CN2CC[C@H](NC(C)=O)C2)c1O	817365702	NFGCYVNIMVCBSV-ZDUSSCGKSA-N	278.352	1.420	10	20	CDCD	
C[C@@H]1CN(Cc2cc3c(cc2O)OCO3)C[C@@H]1C(=O)O	828455790	GSWXUTSAMRBJBR-SCZZXKLOSA-N	279.292	1.273	10	20	CDCD	
O=C1NC(=S)S/C1=C/c1cc(-c2nn[nH]n2)cs1	823540461	FNIFGFZRDWHPFW-QHHAFSJGSA-N	295.374	1.417	10	20	CDCD	
O=[N+]([O-])CCNCc1ccc(N2CCOCC2)c(F)c1	905054533	IWXWPQARJGYWEA-UHFFFAOYSA-N	283.303	1.029	10	20	CDCD	
O=C(c1cc(O)cs1)N1CC[C@@H](O)C12CCCC2	832850086	DRCIICJLANKRAG-LLVKDONJSA-N	267.350	1.973	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@H]2[C@H]3C(=O)CC[C@H]32)c1	907059569	FEOUFYZGIKNOFT-LERXQTSPSA-N	275.304	1.242	10	20	CDCD	
O=C(NCC[C@H]1C[C@H]2CC[C@H]1O2)c1c(F)ccc(O)c1O	839800865	YAVKHFGPLJBZRZ-YGOYTEALSA-N	295.310	1.924	10	20	CDCD	
CN(Cc1ccc(N2CCCCC2)cc1)c1nnnn1C	730806228	ZTLBYCUKXYKNOR-UHFFFAOYSA-N	286.383	1.837	10	20	CDCD	
C[C@H]1[C@@H](C)N(C(=O)c2cc(O)cs2)CC[S@]1=O	736725620	WLEQXDNTBKOBER-QTDQWHRXSA-N	273.379	1.435	10	20	CDCD	
COCC1(C(=O)NCCc2ccc(O)c(O)c2)CCCC1	837481069	NAYMMUNYNJGXSH-UHFFFAOYSA-N	293.363	1.963	10	20	CDCD	
COc1ccc(N(C)CCN(C)CCn2cccn2)cc1	844399445	JQMUGGSOOMHMKR-UHFFFAOYSA-N	288.395	1.960	10	20	CDCD	
COc1cccc([C@@H](C)NC[C@@H](O)C(F)(F)F)c1O	846146046	RHRINUFMGALMMO-GMSGAONNSA-N	279.258	1.975	10	20	CDCD	
CC1(C)NCC[C@H]1NCc1ccc(N2CCOCC2)cc1	841087654	UVKHKDKBKQBVAI-MRXNPFEDSA-N	289.423	1.753	10	20	CDCD	
Oc1c(Cl)cccc1CNCCCN1CCNCC1	841030508	SJDYUKXSANPEAM-UHFFFAOYSA-N	283.803	1.431	10	20	CDCD	
CCN(CC)c1ccc(CNCC(=O)NOC)cc1F	922830457	QKMKOEYWFAKNBG-UHFFFAOYSA-N	283.347	1.439	10	20	CDCD	
CCOc1ccc(CN[C@@H]2CCN(C(C)=O)C2)c(O)c1	856811935	PKUMCZKSIKEELA-CYBMUJFWSA-N	278.352	1.501	10	20	CDCD	
O=C(OCC[C@@H]1CCOC1=O)c1cccc(O)c1O	758561746	LVWSTLXLTDIJMG-QMMMGPOBSA-N	266.249	1.208	10	20	CDCD	
CCCN(Cc1ccccc1O)c1nc(N)nc(N)n1	858451196	OSEFMCLJJPSDHJ-UHFFFAOYSA-N	274.328	1.158	10	20	CDCD	
C[C@H]1CN(CCN[C@@H](C)c2ccc(F)cc2O)CCO1	756547294	YLBXTPIYIVSIDM-RYUDHWBXSA-N	282.359	1.903	10	20	CDCD	
C[C@H](N[C@@H](CO)C1CCOCC1)c1cc(F)ccc1O	757658576	HXRAJMWJFPNXNA-HZMBPMFUSA-N	283.343	1.969	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1nonc1C	935946672	LIOMJUDOIOCDQW-UHFFFAOYSA-N	282.296	1.499	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)C2(S(C)(=O)=O)CCC2)c1	862755588	IQXYXTRDZYDWPP-UHFFFAOYSA-N	297.376	1.284	10	20	CDCD	
CN1CCN(C(=O)c2cc(O)cs2)C(C)(C)C1=O	762815026	JZIIXEOPEHUDNW-UHFFFAOYSA-N	268.338	1.147	10	20	CDCD	
CCN(C)c1ccc([C@H](C)NC[C@H]2COCCN2)cc1	863544691	BITUBBKOHHIHMU-ZFWWWQNUSA-N	277.412	1.782	10	20	CDCD	
CN(C)c1cc(F)c(CN(CCO)C2CC2)cc1F	862220866	RSVDLLUSSKJRBA-UHFFFAOYSA-N	270.323	1.988	10	20	CDCD	
O=C(NCc1ccccc1O)c1cnn2ncccc12	765427008	XNUGWFMTDHGJAI-UHFFFAOYSA-N	268.276	1.365	10	20	CDCD	
CN(C)c1cc(F)c(CN[C@H]2C[C@H](C(=O)O)C2)cc1F	1118918759	MQBNYMGEIYIFNN-CZMCAQCFSA-N	284.306	1.984	10	20	CDCD	
Cc1ccc(CN(C)[C@@]2(CO)CCOC2)c(O)c1	877649234	QWJOPZCLDCSSAA-CQSZACIVSA-N	251.326	1.284	10	20	CDCD	
CCOc1ccc(O)c(CN2C[C@@H]3CNC[C@H]3C2)c1	770394719	LGTZSHMVQHDSPZ-STQMWFEESA-N	262.353	1.442	10	20	CDCD	
CC(C)(O)CCNCc1ccc(N2CCOCC2)c(F)c1	775368970	IDVAUEZRLGKSOU-UHFFFAOYSA-N	296.386	1.913	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNS(=O)(=O)NC1CC1	772685653	HQBDSUNGELHDFL-UHFFFAOYSA-N	283.397	1.147	10	20	CDCD	
C[C@@H](CC(N)=O)NC(=O)N[C@H](C)c1ccc(N(C)C)cc1	776237532	BKIKDGDHJFKJBA-WDEREUQCSA-N	292.383	1.377	10	20	CDCD	
NC(=O)c1cc(NCc2ccc(N3CCCC3)cc2)ncn1	881804711	PFUOZIZSCLJNJZ-UHFFFAOYSA-N	297.362	1.788	10	20	CDCD	
C[C@@H](NC(=O)CCc1cn[nH]c1)c1ccccc1O	881441444	XANDBEOSDWIMDW-SNVBAGLBSA-N	259.309	1.925	10	20	CDCD	
Cc1ccc(C(=O)NC[C@H]2CCC=CO2)c(O)c1O	781479729	LFCTYIQUFGHGKL-SNVBAGLBSA-N	263.293	1.829	10	20	CDCD	
COc1ccc(CNCCNC(=O)C2CC2)c(O)c1OC	892441289	MVCKXBDTCYSMLU-UHFFFAOYSA-N	294.351	1.025	10	20	CDCD	
N[C@@H]1CCC[C@@H](NC(=O)N2Cc3cccc(O)c3C2)C1	892090333	VNTIFDXFCLBYBU-VXGBXAGGSA-N	275.352	1.687	10	20	CDCD	
C[C@H](NCc1ccc(N2CCOCC2)c(F)c1)C(C)(C)O	898126030	GDSVTXTWLGZZIQ-LBPRGKRZSA-N	296.386	1.911	10	20	CDCD	
O=C(Cc1ccc2n[nH]cc2c1)NCc1ccc(O)c(O)c1	793689930	QIZLVJOCIKBNND-UHFFFAOYSA-N	297.314	1.833	10	20	CDCD	
C[C@@H]1CN(C(=O)c2cc(O)cs2)C[C@]2(CCCOC2)O1	796498686	PHFNVJKMHOWQGP-YGRLFVJLSA-N	297.376	1.864	10	20	CDCD	
CC(=O)NC[C@H]1CCCN(C(=O)c2cccc(O)c2O)C1	790589969	LUTOUKCVRYWOMG-LLVKDONJSA-N	292.335	1.086	10	20	CDCD	
COc1ccc(CNC(=O)[C@@H](N)CC(C)C)c(O)c1	83492337	QGIXSALHEKBMSC-LBPRGKRZSA-N	266.341	1.390	10	20	CDCD	
CCOC(=O)CN(Cc1nc[nH]n1)Cc1ccccc1O	1327573732	NZBBPQITPJRLJS-UHFFFAOYSA-N	290.323	1.076	10	20	CDCD	
COC(OC)C(=O)N(C)Cc1ccc(N(C)C)cc1	692616215	RXLKFCVMTYKMAB-UHFFFAOYSA-N	266.341	1.330	10	20	CDCD	
Nc1ccc(CNC(=O)N2CC[C@@H]3NCC[C@@H]3C2)cc1	1335736744	HRKORDGHSDIPFU-OCCSQVGLSA-N	274.368	1.162	10	20	CDCD	
O=C(NCc1cccc(O)c1O)C1CC(F)(F)C1	1520508888	OLYXBBLRABQODN-UHFFFAOYSA-N	257.236	1.759	10	20	CDCD	
O=C(O)CC1CCN(Cc2cc3c(cc2O)OCO3)CC1	1610763679	YKNSVAZRASZDCN-UHFFFAOYSA-N	293.319	1.808	10	20	CDCD	
COC(=O)[C@H]1CN(Cc2cc(C)cc(C)c2O)CCO1	164285417	WOUCXGVBBFZHBI-CYBMUJFWSA-N	279.336	1.383	10	20	CDCD	
CCOC[C@@H](O)CN(C)c1ccc(OCC)cc1	157316770	KDEVEWQLTMEPAN-ZDUSSCGKSA-N	253.342	1.919	10	20	CDCD	
Cc1ccc(O)c([C@H](C)NC[C@]2(O)CCO[C@@H]2C)c1	228065149	QRKQBANJTJYEED-YWPYICTPSA-N	265.353	1.891	10	20	CDCD	
CC(=O)N1CCN(C(=O)[C@@H](C)Sc2nccs2)CC1	64661794	BVHBVROCCGOALV-SECBINFHSA-N	299.421	1.314	10	20	CDCD	
C[C@H](Cn1cncn1)NCc1ccc(N(C)C)c(F)c1	113330102	BTDMUGUFVHDQFZ-LLVKDONJSA-N	277.347	1.662	10	20	CDCD	
COc1ccc(O)c(CNCCCN2CCN(C)CC2)c1	20128543	SLUBLOCTJJVEAB-UHFFFAOYSA-N	293.411	1.128	10	20	CDCD	
COc1cccc(CN2CC[C@@H](CC(N)=O)C2)c1O	368132105	DNVYQNSYRQCYDT-JTQLQIEISA-N	264.325	1.098	10	20	CDCD	
CC[C@@H](NCCCOCCO)c1ccccc1O	157923607	SKRMGTGBGPNCIS-CYBMUJFWSA-N	253.342	1.832	10	20	CDCD	
CCOCC(=O)N[C@H](C)Cc1ccc(O)c(O)c1	183419506	RKYMUJRWMIOUCB-SECBINFHSA-N	253.298	1.182	10	20	CDCD	
CCOC(=O)CCCNC(=O)CSc1nccs1	71991610	AIVLZSMDXAESLW-UHFFFAOYSA-N	288.394	1.695	10	20	CDCD	
COc1cccc(CNC(=O)CCc2ccncn2)c1O	191857907	GVBXECMSTUGCTC-UHFFFAOYSA-N	287.319	1.440	10	20	CDCD	
Cc1cc(O)c(CN[C@@H]2C(=O)NCC[C@H]2C)cc1C	193674532	LVPQLTGFFHQNIK-OTYXRUKQSA-N	262.353	1.623	10	20	CDCD	
C[C@H]1CCCC[C@H]1NC=C1C(=O)N(C)C(=O)N(C)C1=O	48402848	WTTOQTLEYNDFBL-GXSJLCMTSA-N	279.340	1.089	10	20	CDCD	
Cc1ccc(C(=O)NCc2nnc(C3CC3)o2)c(O)c1O	194001900	KGACGLDBUTXIAL-UHFFFAOYSA-N	289.291	1.597	10	20	CDCD	
C[C@H](NC(=O)CCN)c1ccc(N2CCOCC2)cc1	237604138	OYAWLFQVWKASAH-LBPRGKRZSA-N	277.368	1.049	10	20	CDCD	
C[C@H]1COCCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1	364996494	SWNYQHVSXDLURN-JOAKQRRISA-N	277.320	1.606	10	20	CDCD	
COCCOCCN[C@H](C)c1cc([N+](=O)[O-])ccc1O	273442851	YXLJQJRZJYNWEK-SNVBAGLBSA-N	284.312	1.614	10	20	CDCD	
CCc1cc(O)ccc1NS(=O)(=O)c1ccnn1C	276848618	IVBDDLUKTBOEJC-UHFFFAOYSA-N	281.337	1.489	10	20	CDCD	
Cc1ccc(C(=O)N(C)[C@@H](C)C(=O)OC(C)C)c(O)c1O	272705966	CHJQPNIJBUNWMX-JTQLQIEISA-N	295.335	1.818	10	20	CDCD	
COc1cccc(CN2CC[C@@H]3CCN(C)C[C@@H]32)c1O	272539155	BWNPYRFSHRAYFB-JSGCOSHPSA-N	276.380	1.927	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](C)CN	54341027	NYMDBURINMFVDR-LBPRGKRZSA-N	263.385	1.696	10	20	CDCD	
C[C@H](NC[C@@H](CO)[C@H]1CCOC1)c1ccc(F)cc1O	280756881	FCZOLMGKQDYFOS-SRVKXCTJSA-N	283.343	1.827	10	20	CDCD	
Cc1ccc(C(=O)N(C)[C@@H]2CCCOC2)c(O)c1O	804289582	WFWKELHIPXOKDS-SNVBAGLBSA-N	265.309	1.657	10	20	CDCD	
CO[C@H]1COC[C@@H]1N[C@@H](C)c1ccc(N(C)C)cc1	290291268	YAGWUWOGRSEZBI-CQDKDKBSSA-N	264.369	1.817	10	20	CDCD	
NC(=O)CC1CN(Cc2ccc(N3CCCCC3)cc2)C1	297297742	BGZWEHXOUCSQDA-UHFFFAOYSA-N	287.407	1.984	10	20	CDCD	
Cc1ccc(C(=O)NCCc2nccnc2C)c(O)c1O	294148217	OVLNKUIEYLOMGH-UHFFFAOYSA-N	287.319	1.477	10	20	CDCD	
C[C@H](CN1CCCC1=O)NC(=O)NCc1ccccc1O	299463574	ANMHHOMGMCQGFR-LLVKDONJSA-N	291.351	1.202	10	20	CDCD	
C[C@@H](N[C@@H]1COCC[C@H]1O)c1ccc(N(C)C)cc1	710938911	GKJORKOZWMJERY-KCPJHIHWSA-N	264.369	1.553	10	20	CDCD	
CCOCCNC(=S)N[C@H](C)c1cc(OC)ccc1O	728792962	ODXDYNKJSMTBLF-SNVBAGLBSA-N	298.408	1.962	10	20	CDCD	
COC(=O)CC(=O)NCc1cc(Cl)cc(Cl)c1O	908211618	JHMJEQXFGQAWRL-UHFFFAOYSA-N	292.118	1.878	10	20	CDCD	
C[C@@H]1CN(Cc2ccccc2O)C[C@@H](C(=O)O)O1	901934203	QDPLUIOABSIHKA-SKDRFNHKSA-N	251.282	1.066	10	20	CDCD	
C[C@H](O)CN(CC(F)F)C(=O)c1cc(O)cs1	839787612	PQROXGHKDOCXRU-LURJTMIESA-N	265.281	1.542	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC1=NCCCN1C	849009182	ISLUKJWKYIKWOO-UHFFFAOYSA-N	260.385	1.842	10	20	CDCD	
CNCCCNCc1cc(Cl)cc(OC)c1O	841041939	KHDHXMCBPOIFEO-UHFFFAOYSA-N	258.749	1.753	10	20	CDCD	
COc1cccc(CNCC[C@]2(O)CCCOC2)c1O	846108009	ARQOWXPPACAEFK-OAHLLOKOSA-N	281.352	1.422	10	20	CDCD	
CCO[C@H]1C[C@H]1C(=O)N(CC(=O)O)Cc1ccccc1O	911486543	PBSRSJBORARKBE-YPMHNXCESA-N	293.319	1.230	10	20	CDCD	
O=C(NCCn1cncn1)NCc1cc(Cl)ccc1O	844947861	KRFNCZYPXZLGCR-UHFFFAOYSA-N	295.730	1.137	10	20	CDCD	
O=C1CN(Cc2ccccc2O)C(=O)N1[C@@H]1C=CCC1	849360250	ZWRNSBFPZXQHKC-GFCCVEGCSA-N	272.304	1.875	10	20	CDCD	
COc1cccc(CNC(=O)NCC2(N)CCC2)c1O	841967310	RWTURUYXXPMBRB-UHFFFAOYSA-N	279.340	1.081	10	20	CDCD	
COCC1(CNCc2c(O)cccc2OC)CCNCC1	841068812	XAEPGIBXSPIFKY-UHFFFAOYSA-N	294.395	1.507	10	20	CDCD	
C[C@@H](N[C@H]1C[C@H](CO)C1)c1cc([N+](=O)[O-])ccc1O	927148546	SAZZWWJAOKKKBA-OPRDCNLKSA-N	266.297	1.722	10	20	CDCD	
Cc1ccc(C(=O)N[C@]2(C)CCO[C@@H]2C)c(O)c1O	753069101	XOOZZEAHHQGWDG-YMTOWFKASA-N	265.309	1.704	10	20	CDCD	
CN(C)CCCS(=O)(=O)N(C)Cc1ccccc1O	866835260	WNDSYQNWXTYZJV-UHFFFAOYSA-N	286.397	1.106	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@](C)(O)C(C)C)c1	862757378	RMCMBPKXGHZHTF-CQSZACIVSA-N	251.326	1.724	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1C(=O)N[C@@H](C2CC2)C1=O	761357227	QBJPXVSQENISQM-AWEZNQCLSA-N	287.363	1.891	10	20	CDCD	
O=C1NC2(CC2)C(=O)N1CCCSc1nccs1	1116768824	WDLHBVXPCVNSKP-UHFFFAOYSA-N	283.378	1.710	10	20	CDCD	
CC(C)OC[C@H](O)CN[C@H](C)c1ccccc1O	879649166	NESVDIXMSJOMGR-VXGBXAGGSA-N	253.342	1.829	10	20	CDCD	
Cc1ccc(CNC[C@@H]2CCCN2CCCO)c(O)c1	877559601	POXQUPOJGHYBGU-HNNXBMFYSA-N	278.396	1.637	10	20	CDCD	
COCCn1cc(C(=O)N(C)c2ccc(N)cc2)cn1	877074870	UMMLUEGSUVWWAM-UHFFFAOYSA-N	274.324	1.388	10	20	CDCD	
Cc1cc(CNC(=O)/C=C\c2ccc(O)c(O)c2)ncn1	779541172	GCUXEZRXHKTVSJ-HYXAFXHYSA-N	285.303	1.526	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)c1cnn2cccnc12	778916561	LTZQOZXHVSVLNR-UHFFFAOYSA-N	284.275	1.071	10	20	CDCD	
COC(=O)CN(C)Cc1cc(Cl)cc(F)c1O	775648601	DPUIXYHFZZBVSM-UHFFFAOYSA-N	261.680	1.790	10	20	CDCD	
COc1ccc(CNCc2nnc3c(=O)[nH]ccn23)cc1C	886292065	COTOPTRTYFNFND-UHFFFAOYSA-N	299.334	1.024	10	20	CDCD	
Cn1ccc(C(=O)OCC(=O)c2ccc(O)c(O)c2)c1	784166970	HEPOUXJWAXOJNE-UHFFFAOYSA-N	275.260	1.476	10	20	CDCD	
C[C@H]1C[C@@H](NC(=O)NCc2cc(Cl)ccc2O)C(=O)O1	896367964	VUCYWLCHVMCXGS-OIBJUYFYSA-N	298.726	1.549	10	20	CDCD	
CCc1cc(O)ccc1NS(=O)(=O)N1CC[C@H](C)C1	790415246	CCTDFUYUKFLPMV-JTQLQIEISA-N	284.381	1.953	10	20	CDCD	
Nc1ccc(CNC(=O)/C=C\C2CCOCC2)cc1	1341924416	STCCVSVDDRTZKT-UTCJRWHESA-N	260.337	1.868	10	20	CDCD	
Cc1c([C@H](C)NC(=O)c2cc(O)cs2)cnn1C	1261647960	NGWJXKXTCRABOB-ZETCQYMHSA-N	265.338	1.987	10	20	CDCD	
O=C(O)[C@@H](CF)NCc1cccc(Br)c1O	1608533392	LHWVSRTZMLXSJO-MRVPVSSYSA-N	292.104	1.667	10	20	CDCD	
CC(C)C(=O)NCCN[C@@H](C)c1cc(C(=O)O)ccc1O	1609682791	MNTMMBKHUURIDI-JTQLQIEISA-N	294.351	1.513	10	20	CDCD	
O=C(O)CN(Cc1nc[nH]n1)Cc1cc(Cl)ccc1O	1602060341	NOOVCGHNFJFLOU-UHFFFAOYSA-N	296.714	1.251	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2C(=O)O)c(O)c1O	1610484480	COFIVVDOTXYCAE-WCBMZHEXSA-N	279.292	1.389	10	20	CDCD	
O=[N+]([O-])c1ccc(O)c(CN[C@@H]2CCCNC2)c1	1580875870	SXRNAHOFNUXXKL-SNVBAGLBSA-N	251.286	1.142	10	20	CDCD	
CCC1(O)CN(c2ccc(/C=C/C(=O)O)cc2[N+](=O)[O-])C1	1595397373	LVHGPCPNGFERIJ-GQCTYLIASA-N	292.291	1.654	10	20	CDCD	
CN(C)c1cc(F)c(CN[C@H](C(=O)O)C2CC2)cc1F	1777037908	DUMHQYGHCJRQEU-ZDUSSCGKSA-N	284.306	1.984	10	20	CDCD	
Cc1cc(CC(=O)NCc2ccc(N(C)C)cc2)n[nH]1	151497523	AWSOYKHRVSBOKV-UHFFFAOYSA-N	272.352	1.643	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NCC(C)(C)CO)cc1F	153961916	LEDYIYUQFOSAPJ-UHFFFAOYSA-N	297.374	1.709	10	20	CDCD	
CCNC(=O)[C@H](C)NCc1ccc(N2CCCC2)cc1	37268363	MBOXEYYBWAZYSK-ZDUSSCGKSA-N	275.396	1.901	10	20	CDCD	
C[C@@H](NC[C@H]1CN(C)CCN1C)c1ccccc1O	68800507	MLCJIKCUKIHMPS-OLZOCXBDSA-N	263.385	1.289	10	20	CDCD	
CC(=O)c1cc(Cl)cc(CN2C[C@@H](O)[C@@H](CO)C2)c1O	316455117	OTAWPCURNPWMGP-ZWNOBZJWSA-N	299.754	1.033	10	20	CDCD	
CC(C)(O)C(C)(C)CNC(=O)c1cccc(O)c1O	393550000	VZJPXLXRDASEBF-UHFFFAOYSA-N	267.325	1.625	10	20	CDCD	
COc1cccc(CN[C@@H](CO)C[C@H]2CCCO2)c1O	886228990	JERBQJNHKNTBGZ-CHWSQXEVSA-N	281.352	1.420	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](C)OC)c1	103529280	VATNTMWLFPDKHQ-RKDXNWHRSA-N	253.298	1.613	10	20	CDCD	
COc1ccc(O)c(CNS(=O)(=O)c2ccccc2)c1	119831257	AXCVGANVMPKIQX-UHFFFAOYSA-N	293.344	1.879	10	20	CDCD	
CN(C(=O)c1cccc(O)c1O)C(C)(C)C(=O)O	126019076	FKJMDEUPQKPDLU-UHFFFAOYSA-N	253.254	1.033	10	20	CDCD	
Cc1cccc(CN2CCN(CC(C)(C)O)[C@H](C)C2)c1O	188899984	WYKPRJKCJYSPSL-CQSZACIVSA-N	292.423	1.978	10	20	CDCD	
CCNC(=O)[C@@H](C)NCc1ccc(N2CCOCC2)cc1	35134283	YPXJDYKWGLHDIL-CYBMUJFWSA-N	291.395	1.137	10	20	CDCD	
Cc1cc(C(=O)NCCc2ccc(O)c(O)c2)no1	156669866	UPEQAWSQZHQJBC-UHFFFAOYSA-N	262.265	1.367	10	20	CDCD	
COCCCN(CCO)Cc1cc(C)c(C)cc1O	188928212	MISAPCKOGFBWPC-UHFFFAOYSA-N	267.369	1.840	10	20	CDCD	
CO[C@H](C)CNC(=O)NCCCSc1nccs1	190724171	JQNPWXLYMITEOS-SECBINFHSA-N	289.426	1.959	10	20	CDCD	
COC(=O)[C@@H](NCc1cccc(Cl)c1O)[C@@H](C)O	191962283	XQSZFWCLZNKIJH-XCBNKYQSSA-N	273.716	1.058	10	20	CDCD	
Nc1ccc(CC(=O)NCCC(=O)N2CCCCC2)cc1	135255297	JPHBHSRJMZAIFF-UHFFFAOYSA-N	289.379	1.330	10	20	CDCD	
COc1ccc(N(C)Cc2nnn(C)n2)cc1Cl	193436223	JAKCJNICMQOIHQ-UHFFFAOYSA-N	267.720	1.509	10	20	CDCD	
COc1cccc(CNC(=O)Nc2ccncn2)c1O	190697869	JREYXIYBFVOJBJ-UHFFFAOYSA-N	274.280	1.513	10	20	CDCD	
O=C(C[C@@H]1CCCOC1)NCCc1ccc(O)c(O)c1	193594094	QMLOLGVXPGBSJL-LBPRGKRZSA-N	279.336	1.573	10	20	CDCD	
COc1cccc(CNS(=O)(=O)CCC2CC2)c1O	92310745	ZZMVEHIMDFIUPI-UHFFFAOYSA-N	285.365	1.620	10	20	CDCD	
O=C(NCC1CC(F)(F)C1)c1cccc(O)c1O	293564863	DOVYPPDOBZGJGO-UHFFFAOYSA-N	257.236	1.873	10	20	CDCD	
COC(=O)[C@@H]1CN(Cc2cc(Cl)ccc2O)CCO1	93082253	GWYXMEHIXTYIAY-LBPRGKRZSA-N	285.727	1.419	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@@H](C)CO)c1	273590081	OWFADLYZECOYNP-IUCAKERBSA-N	253.298	1.210	10	20	CDCD	
CCN(CCCO)Cc1cc2c(cc1O)OCO2	271162737	BAOQJCGAGFGRQY-UHFFFAOYSA-N	253.298	1.325	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cn(C)nn1	289845368	FCKFVGNSDJSVRD-UHFFFAOYSA-N	287.367	1.543	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1cnc[nH]1	299625138	KERKBNMESMZVOT-UHFFFAOYSA-N	258.325	1.748	10	20	CDCD	
CCOC1CC(N(C)Cc2cc3c(cc2O)OC[C@@H]3O)C1	808213546	MVCQJGJBQBZPQH-QOZQQMKHSA-N	293.363	1.817	10	20	CDCD	
CCOC(=O)[C@H](F)C1CN(Cc2cc(F)ccc2O)C1	816634372	GMSUDBHWPAOKGM-CYBMUJFWSA-N	285.290	1.864	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N1CCC[C@H](CO)CC1	819240908	YNULTIHYGVFPIF-AGLBCWCQSA-N	291.347	1.732	10	20	CDCD	
COc1cccc(O)c1CN1CCN([C@@H]2CCOC2)CC1	827119551	NCEAFQQVMLSGCY-CYBMUJFWSA-N	292.379	1.307	10	20	CDCD	
O=C(O)[C@H]1CCCCN1C(=O)/C=C/c1ccc(O)c(O)c1	821509139	VHCXRDYKMMVFKL-OKPNEXGHSA-N	291.303	1.577	10	20	CDCD	
CCN(C[C@H]1CCOC1)C(=O)c1cc(O)cs1	731871125	DMYSBCRZJNOBDT-SECBINFHSA-N	255.339	1.952	10	20	CDCD	
O=C(NCCCn1ccnc1)c1cc(O)cs1	731865338	BJOIEBOYYJQMDX-UHFFFAOYSA-N	251.311	1.470	10	20	CDCD	
OCC1(NCc2cc3c(cc2O)OCO3)CCSCC1	839177890	UDHTYYIWVOBJGF-UHFFFAOYSA-N	297.376	1.469	10	20	CDCD	
CCOc1cccc(CNC[C@]2(C)CCC(=O)N2)c1O	835060052	IFEOKEMIMMYJGC-HNNXBMFYSA-N	278.352	1.549	10	20	CDCD	
CCC(=O)N[C@@H](C)C(=O)NCc1ccc(N(C)C)cc1C	734471956	XZQPVHWTNCKEOQ-LBPRGKRZSA-N	291.395	1.592	10	20	CDCD	
C[C@@H](NC(=O)N[C@@]1(C)CCNC1)c1ccc(N(C)C)cc1	831073483	UUWVZDINWMIHJV-WBMJQRKESA-N	290.411	1.865	10	20	CDCD	
CC[C@@H](O)[C@H](C)C(=O)N(CC(=O)O)Cc1ccccc1O	911484428	NSBCCYSJPPUMDL-CMPLNLGQSA-N	295.335	1.212	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H](N)C(C)(C)C)c1	843488994	AFLIQFPPDFGDRQ-TVQRCGJNSA-N	280.368	1.951	10	20	CDCD	
CCOc1ccc(CN2CCC[C@@H](NC)C2)c(O)c1	843048756	WAYCQEAXRPBQAU-CYBMUJFWSA-N	264.369	1.975	10	20	CDCD	
CO[C@H]1C[C@@H](NC(=O)NCCc2ccc(N)cc2)C1(C)C	841853649	FPUWTQZEWYHBBZ-KGLIPLIRSA-N	291.395	1.924	10	20	CDCD	
COc1ccc(O)c([C@H]2NC3(CCCC3)C(=O)N2C)c1	742442348	GMNRCQAHIWJMNR-ZDUSSCGKSA-N	276.336	1.774	10	20	CDCD	
CC1(C)CC(=O)NCCN1C(=O)c1cc(O)cs1	913061403	LUEXQJPYNDLGJH-UHFFFAOYSA-N	268.338	1.194	10	20	CDCD	
CCOc1ccc(O)c(CN2CCN[C@H](C)[C@@H]2C)c1	843057841	MMBNDQHHTLOTTE-NEPJUHHUSA-N	264.369	1.973	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1C[C@@H]2C[C@@]2(CO)C1	840940314	XAXKSZVCIBORPY-HOCLYGCPSA-N	260.381	1.875	10	20	CDCD	
COCCN1C(=O)C2(CC2)N[C@@H]1c1cc(OC)ccc1O	840836859	DEGFCJDDFSDKPM-ZDUSSCGKSA-N	292.335	1.010	10	20	CDCD	
C[C@H]1C[C@H](NCc2ccc(N3CCN(C)CC3)cc2)CO1	842776741	ZMZAJQDMGUAEKW-HOCLYGCPSA-N	289.423	1.705	10	20	CDCD	
COC[C@@H](O)CN[C@H](C)c1cccc(OC)c1O	846168340	SOPKSBXHNJZQML-ZJUUUORDSA-N	255.314	1.059	10	20	CDCD	
COc1ccc(CNC(=O)C(C)(C)CO)c(O)c1	848022567	CYXUDFHMQRZYOQ-UHFFFAOYSA-N	253.298	1.036	10	20	CDCD	
CN(C)c1nccc(CNCc2cc(F)ccc2O)n1	757868316	ZHSJPNQEAXINGG-UHFFFAOYSA-N	276.315	1.677	10	20	CDCD	
C[C@@H]1C[C@H](NCC2(CO)COC2)c2c(O)ccc(F)c21	756759868	NCGIJUCAVGRDFD-KOLCDFICSA-N	281.327	1.678	10	20	CDCD	
C[C@H]1C[C@H](NC(=O)NCc2ccccc2O)CN1C1CC1	753926757	UFYZFBXUSOKODL-AAEUAGOBSA-N	289.379	1.817	10	20	CDCD	
Cc1ncc(C(=O)NCCc2ccc(O)c(O)c2)[nH]1	762267946	XHAIOWIRNMYDPF-UHFFFAOYSA-N	261.281	1.102	10	20	CDCD	
CCOc1ccc(CNC[C@H]2CCCS2(=O)=O)c(O)c1	765268350	VYOYCHBJHISEQT-CYBMUJFWSA-N	299.392	1.458	10	20	CDCD	
CN(C(=O)CCCn1cccn1)c1ccc(N)cc1	877077328	DGBLWJCNTKBDQS-UHFFFAOYSA-N	258.325	1.909	10	20	CDCD	
CNC(=O)CCCN(C)Cc1ccc(C)cc1O	876774133	MEGZCEGWHWTJNL-UHFFFAOYSA-N	250.342	1.659	10	20	CDCD	
CC(C)[C@@H](O)Cn1cc(COc2ccc(N)cc2)nn1	881320020	FFSAENSCDHKMQX-AWEZNQCLSA-N	276.340	1.456	10	20	CDCD	
C[C@H]1CN(C(=O)NCc2ccc(N)cc2)CC[C@@H](C)O1	1120584260	AVEIDCKWXOSSOI-NEPJUHHUSA-N	277.368	1.978	10	20	CDCD	
C[C@H](Nc1cnn(CCO)c1)c1c(O)cccc1F	886578285	QUSJGKMDWJEEMF-VIFPVBQESA-N	265.288	1.893	10	20	CDCD	
COCCN1CC[C@H](N[C@@H](C)c2c(O)cccc2F)C1	886524790	QYCUUGKTOQVXLH-RYUDHWBXSA-N	282.359	1.903	10	20	CDCD	
CCOCc1cc(CNCCN(C)OC)ccc1OC	883172299	CREXOKDKEAOVTI-UHFFFAOYSA-N	282.384	1.815	10	20	CDCD	
OC[C@H](NCc1cc(F)cc(F)c1O)[C@H]1CCCOC1	883146517	PDLJCBHIYLEZAQ-ZANVPECISA-N	287.306	1.548	10	20	CDCD	
CC[C@@H](CO)N(C)Cc1cc(C)cc(OC)c1O	894872193	ZLKYBVJZCZYMBI-LBPRGKRZSA-N	253.342	1.912	10	20	CDCD	
COc1ccc(CN2CCC[C@H]2CCO)c(O)c1OC	893715639	CLCMPANOIMQFME-LBPRGKRZSA-N	281.352	1.756	10	20	CDCD	
C[C@@]1(CO)C[C@@H](O)CN1Cc1cccc(Cl)c1O	895327970	FONAWCWXPPWRDN-MFKMUULPSA-N	271.744	1.363	10	20	CDCD	
CCc1cc(CNC(=O)c2cccc(O)c2O)n[nH]1	790706669	GZVHECZLRLNVNM-UHFFFAOYSA-N	261.281	1.313	10	20	CDCD	
COc1cccc(CNC(=O)Cc2ncccc2F)c1O	792238877	XAKQCUUBJWWZCG-UHFFFAOYSA-N	290.294	1.794	10	20	CDCD	
CCNC(=O)CCCC(=O)NCc1ccc(OC)cc1O	794376260	DIXUCDPPEGDDNG-UHFFFAOYSA-N	294.351	1.323	10	20	CDCD	
CCOC(=O)c1cnc(SCC(=O)NC)s1	390465837	FOWUTYIWBJTIOA-UHFFFAOYSA-N	260.340	1.158	10	20	CDCD	
CCOC(=O)[C@H](NCc1cc(OC)ccc1O)C1CC1	1320684579	DZJBMQKAMUMMAG-CQSZACIVSA-N	279.336	1.832	10	20	CDCD	
CC[C@@H](C)CN(C)C(=O)C(=O)NCCc1ccc(N)cc1	1325377972	AVWRXTMYWUITOO-GFCCVEGCSA-N	291.395	1.432	10	20	CDCD	
CN(C)c1ccc(CN2C[C@H]3C[C@@]3(C(=O)O)C2)cc1	693270177	YUCKBYUXIFSZIC-IUODEOHRSA-N	260.337	1.659	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)c1csc(CCN)n1	90950598	SOWHEMITKDEOLH-UHFFFAOYSA-N	291.376	1.622	10	20	CDCD	
Nc1ccc(CNC(=O)N[C@H]2CCC[C@H](N)C2)cc1	1262586106	UZKWALIOJGFOLJ-STQMWFEESA-N	262.357	1.338	10	20	CDCD	
C[C@@H](NC(=O)NCC1(N)CC1)c1ccc(N(C)C)cc1	1262579825	AUJKKHDYMDKLEY-LLVKDONJSA-N	276.384	1.604	10	20	CDCD	
CO[C@@H]1COCC[C@@H]1CC(=O)NCc1cccc(O)c1O	1348046051	HIBVSTRKCRVZCY-ZWNOBZJWSA-N	295.335	1.156	10	20	CDCD	
CC1(CNC(=O)NCc2ccc(N)cc2)CCNCC1	1357464769	WLONZGNXGWXHJZ-UHFFFAOYSA-N	276.384	1.458	10	20	CDCD	
Cc1cc(O)c(CN2CCOC[C@H]2C(=O)O)cc1Cl	1607699304	JLYGMXNZQYPNJZ-NSHDSACASA-N	285.727	1.639	10	20	CDCD	
Cc1cc(NC(=O)CSc2ncc(C(=O)O)s2)no1	1600257575	XXWAHFGWGWFHJC-UHFFFAOYSA-N	299.333	1.869	10	20	CDCD	
C/C(=C/C(=O)N1CCCn2ncc(N)c21)c1cnccn1	1574971164	ARMDSHZURFJKQG-YFHOEESVSA-N	284.323	1.096	10	20	CDCD	
C[C@H](NCc1cc([N+](=O)[O-])ccc1O)[C@H]1CCCNC1	1576245008	NEZCERYCQUFYKD-QWRGUYRKSA-N	279.340	1.778	10	20	CDCD	
COc1ccc(CN2CCC[C@@H]2CC(=O)O)c(O)c1OC	1599561238	HZGVVLQUYUHFDU-LLVKDONJSA-N	295.335	1.849	10	20	CDCD	
C[C@](NC(=O)Cc1ccc(O)c(O)c1)(C(=O)O)C1CC1	1593040733	WFKLBFSBINDSLC-CQSZACIVSA-N	279.292	1.010	10	20	CDCD	
C[C@@H]1C[C@](NCc2ccc(N(C)C)cc2)(C(=O)O)CCO1	1776599419	AGWAWBLKXHYFTN-WBMJQRKESA-N	292.379	1.865	10	20	CDCD	
CN(C)c1ccc(CN=c2cc[nH]c(C(=O)O)c2)cc1	1777040350	RKBVTMCMGXFIBG-UHFFFAOYSA-N	271.320	1.880	10	20	CDCD	
COCCN(CCOC)Cc1ccc(N(C)C)cc1	158181081	POTIWALQDQEQPT-UHFFFAOYSA-N	266.385	1.847	10	20	CDCD	
C[C@@H](NCCS(=O)(=O)C1CC1)c1ccc(F)cc1O	840884829	SEVHXYFUCWDISS-SECBINFHSA-N	287.356	1.759	10	20	CDCD	
O=C1NCCCC[C@H]1NCc1ccc2c(c1)CCO2	37363243	VMLJXUCBCVIKFZ-CYBMUJFWSA-N	260.337	1.380	10	20	CDCD	
CC(C)(C)[C@H](CO)NC(=O)c1cccc(O)c1O	278799643	ONMBMNOANRFOLV-JTQLQIEISA-N	253.298	1.235	10	20	CDCD	
COC[C@](C)(O)CNCc1cccc(Cl)c1O	382553691	HDXPTXOFSQDZFQ-GFCCVEGCSA-N	259.733	1.533	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)CNC(=O)OC	170731778	IIQHNGUWOLEUKV-UHFFFAOYSA-N	280.324	1.487	10	20	CDCD	
CC[C@@H]1OCC[C@H]1NC(=O)NCc1ccc(N)cc1	1353413470	JREHEKTVLFHBBD-OLZOCXBDSA-N	263.341	1.636	10	20	CDCD	
CC(=O)N(C)C1CCN(Cc2ccccc2O)CC1	179563961	ZXWOYIWFLPZUDR-UHFFFAOYSA-N	262.353	1.835	10	20	CDCD	
CCN(C)C(=O)CN[C@H](C)c1cc(F)ccc1O	186811804	FFDVKASIQJMROV-SECBINFHSA-N	254.305	1.660	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N[C@H]2C[C@@H](O)C2(C)C)cc1	186964509	YHTNTVMNBZQJOW-UONOGXRCSA-N	291.395	1.711	10	20	CDCD	
COCCOCC(=O)NCc1ccc(N(C)C)cc1	72748214	CCXJCFUCUIYKOG-UHFFFAOYSA-N	266.341	1.032	10	20	CDCD	
CN(C)c1ccc(CN2CCOC[C@]23CCOC3)cc1	193691597	SGXPUQGLBVMBHV-MRXNPFEDSA-N	276.380	1.744	10	20	CDCD	
CNC(=O)[C@H](C)N[C@@H](C)c1cc(OC)ccc1O	42560488	ZGQRLVWUWQBCEK-IUCAKERBSA-N	252.314	1.186	10	20	CDCD	
COc1cccc(CNC(=O)NC[C@H](C)SC)c1O	133760044	STSMEOIICBVRJM-VIFPVBQESA-N	284.381	1.952	10	20	CDCD	
Cc1cc(O)c(CN2CCN3C(=O)NC[C@H]3C2)cc1C	91864518	VTHFLRZCXPUERP-ZDUSSCGKSA-N	275.352	1.218	10	20	CDCD	
CNC(=O)[C@@H]1CCCN1Cc1ccc(N(C)C)cc1	92096412	DNBHLMKNHNCJEZ-AWEZNQCLSA-N	261.369	1.463	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)CC(C)(C)N	237101359	YHQWRRIOJSGGGT-UHFFFAOYSA-N	277.368	1.605	10	20	CDCD	
Cc1ccc(CC(=O)NCCc2ccc(O)c(O)c2)cn1	269122828	DSORVCFYPDTERE-UHFFFAOYSA-N	286.331	1.703	10	20	CDCD	
C[C@H]1CCN(Cc2cc(F)ccc2O)CC[S@]1=O	277418877	ICHDTXOKDKNNGC-XTZNXHDOSA-N	271.357	1.874	10	20	CDCD	
CCOc1cccc(CN(CC(=O)OC)C2CC2)c1O	271267741	MJDVLKQFFGQPMV-UHFFFAOYSA-N	279.336	1.928	10	20	CDCD	
CCCCN(Cc1ccccc1O)[C@@H](C)C(=O)NC(N)=O	282517909	SRHLJFOFCXQMQG-NSHDSACASA-N	293.367	1.578	10	20	CDCD	
COc1cc(O)c(CN2CC[C@](C)(C(N)=O)C2)cc1OC	280307218	PIPTZEUXFBGCNL-HNNXBMFYSA-N	294.351	1.107	10	20	CDCD	
COc1ccc(CNC(=O)[C@@H]2O[C@H](C)C[C@@H]2C)c(O)c1	800559630	GSNULUPQXRRZPZ-IMSIIYSGSA-N	279.336	1.831	10	20	CDCD	
C[C@@H]1CSC[C@@H]1NC(=O)/C=C/c1ccc(O)c(O)c1	804501337	BLXZGUYMQLAXFB-FYGOAMBHSA-N	279.361	1.979	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(F)c[nH]1	816028216	ADPZDAUVHFHJON-QMMMGPOBSA-N	278.283	1.926	10	20	CDCD	
Cc1cc(CN(C)[C@H](C)CS(C)(=O)=O)ccc1N(C)C	815048281	UJZXILCBJBVKKY-CYBMUJFWSA-N	298.452	1.926	10	20	CDCD	
C[C@@H](NC[C@@H]1CNCCO1)c1ccc(N(C)C)cc1	817982794	HJRATNVXIHYXBH-DOMZBBRYSA-N	263.385	1.392	10	20	CDCD	
COC(=O)[C@@H]1[C@H]2CN(Cc3cccc(OC)c3O)C[C@H]21	814173291	MQDAFTXNUWWHDX-PJXYFTJBSA-N	277.320	1.252	10	20	CDCD	
Cc1cc(C(=O)OCc2cnn[nH]2)c(C)n1-c1ccccn1	821586727	NDXHZBBWFKXVGZ-UHFFFAOYSA-N	297.318	1.964	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NC1(C(=O)O)CCCC1	821369643	XIPWIWWDIQBLST-GQCTYLIASA-N	291.303	1.625	10	20	CDCD	
C[C@@H](CC(=O)O)C(=O)NCc1ccc(N(C)C)c(F)c1	827295091	COUYVPPTPCOTAX-VIFPVBQESA-N	282.315	1.619	10	20	CDCD	
CC1(CN(CC(=O)O)Cc2cc(Cl)ccc2O)COC1	828087904	DKZNBRIKWXCJNA-UHFFFAOYSA-N	299.754	1.969	10	20	CDCD	
CO[C@H](C)CNC(=O)/C=C\c1ccc(O)c(O)c1	588553482	CQMCANKUJNPVRL-XTULLQBASA-N	251.282	1.262	10	20	CDCD	
O=C(N[C@@H](C1CC1)[C@H](CO)C1CC1)c1cccc(O)c1O	834009093	DSDUDSPQXCYKGA-OCCSQVGLSA-N	291.347	1.625	10	20	CDCD	
COCCCN(CCOC)C(=O)c1cc(O)cs1	732275052	QYVUCAQUUCRMNC-UHFFFAOYSA-N	273.354	1.579	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC[C@]2(C)CCC(=O)N2)c1	834908677	LDNUWDMWHKRYBQ-BONVTDFDSA-N	278.352	1.720	10	20	CDCD	
Cn1cc(NC(=O)/C=C\c2ccc(O)c(O)c2)ccc1=O	588403985	SLKGVZSHTQFLCL-UTCJRWHESA-N	286.287	1.448	10	20	CDCD	
C[C@@H]1C[C@@H]1C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1	832293387	VUEHUULGVAHJRP-DDTOSNHZSA-N	261.369	1.525	10	20	CDCD	
O=C(COC(=O)c1ccco1)c1ccc(O)c(O)c1	916589909	GYCOUFRHGOJLSS-UHFFFAOYSA-N	262.217	1.731	10	20	CDCD	
COc1ccc(N(C)CCN(C)[C@H](C)C(=O)N(C)C)cc1	844399413	ICYKECDJYOLLTB-CYBMUJFWSA-N	293.411	1.540	10	20	CDCD	
CCn1ccc(CC(=O)NCCc2ccc(O)c(O)c2)n1	845832348	BRQYBVNZUNRSFD-UHFFFAOYSA-N	289.335	1.216	10	20	CDCD	
COc1cccc(CN2CCC[C@@H](CO)[C@H]2C)c1O	840976448	BWKGEKGSEXZCND-YPMHNXCESA-N	265.353	1.994	10	20	CDCD	
Cc1cc(C)c(O)c(CN2CC[C@H](C(=O)N(C)C)C2)c1	840178229	NCYIOLJMQLVWSO-ZDUSSCGKSA-N	276.380	1.919	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCN(C[C@H]2CCOC2)CC1	754455671	XNZDBVVQJHNTOO-LLVKDONJSA-N	296.392	1.248	10	20	CDCD	
C[C@H](N[C@H]1CCOC1)c1cc([N+](=O)[O-])ccc1O	756770822	XMJLQOFYOWYACO-IUCAKERBSA-N	252.270	1.740	10	20	CDCD	
CO[C@@]1(C)C[C@H]1NC(=O)/C=C\c1ccc(O)c(O)c1	856267676	DMMFALPSABFVEU-LJXYTEIVSA-N	263.293	1.405	10	20	CDCD	
COC(=O)N(C)CCN[C@H](C)c1cccc(OC)c1O	850548116	XWGZKJOFEVSGHI-SNVBAGLBSA-N	282.340	1.750	10	20	CDCD	
CC(=O)c1cc(O)ccc1NS(=O)(=O)c1ccnn1C	766047023	BPHITCYFEKSRFY-UHFFFAOYSA-N	295.320	1.129	10	20	CDCD	
CCOC(=O)C1=NN(c2cccc(F)c2)C(=O)[C@H]1C	871946819	IRCYKLLYGWKITI-QMMMGPOBSA-N	264.256	1.728	10	20	CDCD	
Cc1ccc(CN2CCN(C)C(=O)C2(C)C)c(O)c1	876765430	WSBDNPARYWUCDU-UHFFFAOYSA-N	262.353	1.753	10	20	CDCD	
CCOC(=O)CN1CCN(c2ccc(OCC)cc2)CC1	1116348181	QRAUSHPLDWMDGX-UHFFFAOYSA-N	292.379	1.770	10	20	CDCD	
Cc1cc(O)c(CN2C[C@H]3C(=O)N(C)C(=O)[C@H]3C2)cc1C	872714057	HGICOMXSNLNVBZ-BETUJISGSA-N	288.347	1.056	10	20	CDCD	
Oc1c(Cl)cc(Cl)cc1CN[C@@H]1C[C@H](O)[C@H](O)C1	886256005	SNMLNCROIQBGHV-GUDFOSOFSA-N	292.162	1.673	10	20	CDCD	
NC(=O)[C@H]1CCCN(Cc2cc(Cl)cc(F)c2O)C1	775632831	ABMQTJKTAJQOBO-QMMMGPOBSA-N	286.734	1.882	10	20	CDCD	
C[C@@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)CC[C@H]1O	779267168	GGRAEGCGJOQVHF-VSEZHWFZSA-N	277.320	1.340	10	20	CDCD	
C[C@@H]1CN(C(=O)/C=C\c2ccc(O)c(O)c2)[C@H](C)CN1C	779547413	KNBZYLLEMCRSEV-LWSHCTJVSA-N	290.363	1.662	10	20	CDCD	
Cc1cc(O)c(CN[C@@H]2C(=O)NCC2(C)C)cc1Cl	895321668	OSPMUCGPODINBK-GFCCVEGCSA-N	282.771	1.968	10	20	CDCD	
COc1cc(O)c(CNCC[C@H](C)N(C)C)cc1OC	895296543	OLAOBFVCIKMYAU-NSHDSACASA-N	282.384	1.839	10	20	CDCD	
C[C@@H]1NC(=O)[C@H](C)N(Cc2cc3c(cc2O)OCO3)[C@@H]1C	895114510	MEMICHWLAMKMLG-AEJSXWLSSA-N	292.335	1.218	10	20	CDCD	
COc1ccc(CNC(=O)c2cc(OC)no2)c(O)c1	794379947	VDEKLPANMZYRHC-UHFFFAOYSA-N	278.264	1.327	10	20	CDCD	
OC[C@H]1CN(Cc2ccc(N3CCCC3)cc2)CC[C@H]1O	1204325022	QFSLBFAQTXWMNC-NVXWUHKLSA-N	290.407	1.462	10	20	CDCD	
COC[C@@H](C)n1ccc(NC(=O)c2cccc(O)c2O)n1	790943042	GSVPRDUFKHDOFY-SECBINFHSA-N	291.307	1.754	10	20	CDCD	
COC[C@H]1CN(Cc2c(O)cccc2OC)CCO1	1319711294	HXYTXLRDONKIDI-LLVKDONJSA-N	267.325	1.248	10	20	CDCD	
Nc1ccc(CC(=O)N2CC[C@@H]3OCCC[C@H]3C2)cc1	1326688186	PKPSORCVBATZPQ-ZFWWWQNUSA-N	274.364	1.839	10	20	CDCD	
Nc1ccc(CNC(=O)N[C@@H]2CCN(C3CC3)C2)cc1	1338733069	XPTSFFNOVAMQGY-CYBMUJFWSA-N	274.368	1.305	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@@H]2C[C@@H]2C1	1333365893	UQOBGBNHPJXGHM-DGCLKSJQSA-N	288.347	1.219	10	20	CDCD	
Nc1ccc(CNC(=O)NC[C@H]2CCN(C3CC3)C2)cc1	1262597684	VUYXQWYXHPZRLU-CYBMUJFWSA-N	288.395	1.552	10	20	CDCD	
NC(=O)[C@@H]1CCN(Cc2cc(Cl)ccc2O)C1	157130899	XFQCMTVVIQBGTC-MRVPVSSYSA-N	254.717	1.353	10	20	CDCD	
CC[C@@](C)(OC)C(=O)NCc1cccc(O)c1O	1521852535	WZZZWUMWIWDFPI-CYBMUJFWSA-N	253.298	1.529	10	20	CDCD	
CN(C)c1ccc(CN(C(=O)CC(=O)O)C2CC2)cc1	1606053903	GLOZSJQHOMXFCK-UHFFFAOYSA-N	276.336	1.718	10	20	CDCD	
C[C@H](NCc1oncc1C(=O)O)c1ccccc1O	1607461994	JCBCXYMRJOOJAH-QMMMGPOBSA-N	262.265	1.929	10	20	CDCD	
Nc1ccc(NC(=O)CN2CSCCSC2)cc1	1580447810	MQGGSEHZVVOZSD-UHFFFAOYSA-N	283.422	1.904	10	20	CDCD	
CC[C@@H](N[C@H](C)c1cc(C(=O)O)ccc1O)C(=O)NC	1595279208	MTDNFSUHHXJZEU-LDYMZIIASA-N	280.324	1.266	10	20	CDCD	
CCC1(O)CN(c2ccc(/C=C\C(=O)O)cc2[N+](=O)[O-])C1	1595397374	LVHGPCPNGFERIJ-XQRVVYSFSA-N	292.291	1.654	10	20	CDCD	
Cn1cc([C@H]2CCN(C(=O)Cc3ccc(N)cc3)C2)cn1	169155628	BBGOAXWCSSKLGS-ZDUSSCGKSA-N	284.363	1.561	10	20	CDCD	
CCc1c(C(=O)NCCc2ccc(N)cc2)cnn1C	818545260	SGYFQEQNMINGFI-UHFFFAOYSA-N	272.352	1.537	10	20	CDCD	
CCCOc1ccc(CN2CC[C@@H](C(N)=O)C2)c(O)c1	157179820	DVUPYOTVVBXMPM-GFCCVEGCSA-N	278.352	1.488	10	20	CDCD	
CC(C)C(=O)NCCNCc1ccc2c(c1)CCO2	37362781	RAGYKEVNCWOLAI-UHFFFAOYSA-N	262.353	1.483	10	20	CDCD	
C[C@H](NCCn1cncn1)c1ccc(N(C)C)cc1	268867174	WUTMKMOTWRRFFX-LBPRGKRZSA-N	259.357	1.695	10	20	CDCD	
CC[C@H](NC[C@@H]1CN(C)CCN1C)c1ccccc1O	68801418	SEICTMSSDSEJQC-HIFRSBDPSA-N	277.412	1.679	10	20	CDCD	
C[C@@H](NC[C@@]1(O)CCOC1)c1ccc(N(C)C)cc1	90849201	XHUVHNHPMJETER-DOMZBBRYSA-N	264.369	1.555	10	20	CDCD	
CCC1(CNCc2cc3c(cc2O)OCO3)COC1	393961321	SIKDMEBULLEONV-UHFFFAOYSA-N	265.309	1.637	10	20	CDCD	
COCCNC(=O)N[C@H](C)c1cc(OC)ccc1O	103593247	QCSJXQBMPZKENC-SECBINFHSA-N	268.313	1.407	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)Nc1ccccn1	174373303	GURZQNXFKZILJR-UHFFFAOYSA-N	259.265	1.815	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)C1=COCCO1	173197665	CURPYCMIOURXEU-UHFFFAOYSA-N	290.319	1.366	10	20	CDCD	
CCCOCC(=O)NCCc1ccc(O)c(O)c1	122055965	ZLCOUQBLYONTDH-UHFFFAOYSA-N	253.298	1.183	10	20	CDCD	
CCN(C)c1ccc([C@@H](C)NC[C@H](O)CN(C)C)cc1	305115042	HOWWSFCEDZKQQC-CJNGLKHVSA-N	279.428	1.716	10	20	CDCD	
CNC[C@@H]1CCCN(C(=O)Cc2ccc(N)cc2)C1	158901417	HPSRHDGBMWGMPJ-ZDUSSCGKSA-N	261.369	1.269	10	20	CDCD	
CC(C)N1CCC[C@H](CNC(=O)c2cccc(O)c2O)C1	187041844	PKSDQSMLVISTKE-GFCCVEGCSA-N	292.379	1.948	10	20	CDCD	
COc1cccc(CN2CCC[C@H]2C(=O)NC2CC2)c1O	121488859	OPTUCJWAOWWUFE-ZDUSSCGKSA-N	290.363	1.644	10	20	CDCD	
CSC[C@@H](C)NC(=O)c1ccc(C)c(O)c1O	182475094	JRLWFCBGRHRIMM-MRVPVSSYSA-N	255.339	1.888	10	20	CDCD	
CC(=O)c1cc(F)cc(CN(C)CC(C)(CO)CO)c1O	135931369	XMZUZHYBPLAVDC-UHFFFAOYSA-N	299.342	1.157	10	20	CDCD	
COCCCCNC(=O)c1ccc(C)c(O)c1O	182051116	NVJOHQINSKQJME-UHFFFAOYSA-N	253.298	1.563	10	20	CDCD	
CN(C)CCOCCNCc1c(O)cccc1Cl	226744296	WCTZDTFNYOUNAM-UHFFFAOYSA-N	272.776	1.713	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@H]2CCCNC2)cc1	40825779	JANWOUZZYBGOJI-CYBMUJFWSA-N	261.369	1.368	10	20	CDCD	
C[C@H](N[C@@H](C)c1ccc(F)cc1O)C(=O)N(C)C	62745930	HXWFWYVFNGHKTM-IUCAKERBSA-N	254.305	1.659	10	20	CDCD	
CCOC[C@@H](O)CN[C@H](C)c1cc(OC)ccc1O	182434618	NSOLIANCEHYOCV-MNOVXSKESA-N	269.341	1.449	10	20	CDCD	
C[C@H](CO)N[C@H](C)c1ccc(N2CCOCC2)c(F)c1	268875615	WNRURIFTJHBXAQ-VXGBXAGGSA-N	282.359	1.694	10	20	CDCD	
COC(=O)[C@H]1C[C@H]1C(=O)NCc1ccc(N(C)C)c(F)c1	263896556	PMOYBYFPOFIPKS-MNOVXSKESA-N	294.326	1.317	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1CCCC1	297672699	ZZPNRADNAZPFNU-UHFFFAOYSA-N	289.379	1.333	10	20	CDCD	
COc1ccc(N2CC[C@H](CN[C@H]3CCOC3)C2)cc1	818219777	DGZXJCQLYDVTIG-KGLIPLIRSA-N	276.380	1.900	10	20	CDCD	
CCN(C)c1ccc(CN(CC)[C@@H]2CCNC2=O)cc1	815107612	MBJKLSGDTOMIEI-OAHLLOKOSA-N	275.396	1.853	10	20	CDCD	
N[C@H]1CCC[C@@H]1NCc1ccc(N2CCOCC2)cc1	817894914	OWCDFCOVHGJGKK-HOTGVXAUSA-N	275.396	1.493	10	20	CDCD	
CC[C@H](NC[C@H]1CNCCCO1)c1ccccc1O	817982440	SJLLYXBIHGLTNU-OCCSQVGLSA-N	264.369	1.811	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCCC[C@H]1CCO	821366693	OJBGNBVEGMBZJM-VIFPVBQESA-N	255.339	1.831	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)C2(C)CNC2)cc1	827340511	DPJVKEKNVFBKLT-UHFFFAOYSA-N	275.396	1.759	10	20	CDCD	
CC[C@H](C)[C@H](NC(=O)OC)C(=O)NCc1ccccc1O	825658074	BLVJWJSTDRTLES-GWCFXTLKSA-N	294.351	1.779	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CCC(=O)NC2)c1	728983301	XLKZWGDJPTUZKR-UWVGGRQHSA-N	292.335	1.104	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1cc(O)n(C)n1	827955385	GKKZHZUDYQLGBC-UHFFFAOYSA-N	288.351	1.430	10	20	CDCD	
Cc1noc(CCC(=O)N[C@H](C)c2ccccc2O)n1	827923751	ZBCJULYMTYCJKK-SECBINFHSA-N	275.308	1.894	10	20	CDCD	
CCO[C@@H]1COC[C@H]1NCc1ccc2c(c1)CCO2	825196971	RDXVTFRSOLYSLP-UKRRQHHQSA-N	263.337	1.515	10	20	CDCD	
COC1(COC(=O)c2cccc(O)c2O)CCC1	837648682	ULDGXAJGMBANTP-UHFFFAOYSA-N	252.266	1.824	10	20	CDCD	
Cc1ccc(O)c(CN2CC(c3nc(C)no3)C2)c1	839131177	OQBMNLGSPFLBAD-UHFFFAOYSA-N	259.309	1.991	10	20	CDCD	
C[C@@H]1C[C@@H](NC(=O)c2c(F)ccc(O)c2O)c2nccn21	839786182	MWCDKEZVBHKJNS-VXNVDRBHSA-N	291.282	1.869	10	20	CDCD	
CC(C)C(=O)NC1CCN(C(=O)c2cc(O)cs2)CC1	732270933	YEQPYFFWKTZDFL-UHFFFAOYSA-N	296.392	1.831	10	20	CDCD	
CC1(C)CN(C(=O)c2cc(O)cs2)[C@@H]2COC[C@@H]21	839792769	NRMRZXOYDJFKJD-VHSXEESVSA-N	267.350	1.951	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@H]2CCCCN2C)cc1	732258306	RMDDXFYHPPTWSL-HNNXBMFYSA-N	275.396	1.853	10	20	CDCD	
CC(=O)CC1(C(=O)NCc2ccc(O)cc2O)CCC1	910948101	UEXDJQIDHSXRPI-UHFFFAOYSA-N	277.320	1.863	10	20	CDCD	
C/C(=C\C(=O)N1CCCc2n[nH]cc21)c1cnccn1	831339809	WWTQQABQQJIMDS-JXMROGBWSA-N	269.308	1.582	10	20	CDCD	
C[C@@H]1C[C@@H](NC(=O)/C=C/c2ccc(O)c(O)c2)CO1	844107964	UIMLZGMRLYAJMR-DREQKGALSA-N	263.293	1.405	10	20	CDCD	
CCC(N)(CC)CNC(=O)NCc1cccc(OC)c1O	841954270	KLTFUJYJJXKZOC-UHFFFAOYSA-N	295.383	1.718	10	20	CDCD	
O=C(OCc1cc2n(n1)CCC2)c1cc(O)cs1	845114063	IRDCWZVMGCGUSU-UHFFFAOYSA-N	264.306	1.953	10	20	CDCD	
COC[C@@H](C)[C@H](C)C(=O)NCc1ccc(O)cc1O	910943363	ATZXPOGATREHGE-ZJUUUORDSA-N	267.325	1.633	10	20	CDCD	
C[C@@H](CC(N)=O)NCc1ccc(N(C)C)c(F)c1	749128316	LZDMRLCMNZLOJQ-VIFPVBQESA-N	253.321	1.245	10	20	CDCD	
CCCN1CC(=O)N[C@@H]1c1ccc(OCC)cc1O	840820905	AEJDDXADTTUXJK-AWEZNQCLSA-N	264.325	1.631	10	20	CDCD	
CO[C@@H](CC(=O)NCc1ccc(O)cc1O)C(F)(F)F	910944127	SBVQACATOYHYGA-JTQLQIEISA-N	293.241	1.681	10	20	CDCD	
CNC[C@H](C)C(=O)N(C)CCN(C)c1ccc(OC)cc1	846696346	FNQYJNUCLAAPJS-ZDUSSCGKSA-N	293.411	1.445	10	20	CDCD	
CCOc1ccc(CN2C[C@@H](C)N[C@H](C)C2)c(O)c1	843049391	MSGUXAIAVPTENW-VXGBXAGGSA-N	264.369	1.973	10	20	CDCD	
COc1cc(O)c(CN2CCC[C@H]([C@H](C)N)C2)cc1OC	843052041	OYTSXZRJJGUCOF-RYUDHWBXSA-N	294.395	1.969	10	20	CDCD	
CN1CC[C@H]2[C@H](CCCN2C(=O)Cc2ccc(N)cc2)C1	843490986	PGOZQDRVRFMKJZ-ZBFHGGJFSA-N	287.407	1.754	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)N2CC[C@@H](N)C2)cc1	841720282	UCSGADXNOOHUBS-CQSZACIVSA-N	290.411	1.775	10	20	CDCD	
C[C@H](N)CNC(=O)NCc1ccc(N(C)C)c(F)c1	841761242	OEKSGCNGBNNXAR-VIFPVBQESA-N	268.336	1.038	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)N[C@@H](C)C(C)(C)O)c1	756816814	AMMHASKZAHVPDJ-ZJUUUORDSA-N	281.352	1.989	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@]2(C)CCOC2)c1	755529498	HWMYPNAUZPOAPY-CQSZACIVSA-N	265.309	1.444	10	20	CDCD	
Nc1ccc(NC(=O)[C@@H]2CC(=O)N[C@@H]3CCCC[C@H]32)cc1	851633609	OSMZFFGHBJAZFC-BFHYXJOUSA-N	287.363	1.902	10	20	CDCD	
CCn1cc(C(=O)NCc2ccc3c(c2)CCCN3C)nn1	931152282	ODEIFXFNZPAXGX-UHFFFAOYSA-N	299.378	1.610	10	20	CDCD	
CC[C@H](C(=O)NCc1cc(C)ccc1O)N(C)C	862758425	YSJMIJQJOSOYHX-GFCCVEGCSA-N	250.342	1.657	10	20	CDCD	
CCCS(=O)(=O)N(C)Cc1ccc(N(C)C)cc1	70265335	DKOOKZVYWHISIU-UHFFFAOYSA-N	270.398	1.924	10	20	CDCD	
Cc1ccc(CNCC2(CS(C)(=O)=O)CC2)c(O)c1	877082566	YBPNKLQEKPYMGY-UHFFFAOYSA-N	283.393	1.615	10	20	CDCD	
COc1ccc(O)c(CN2CCN(C)[C@H](C)[C@H]2C)c1	775986173	PKPFTNUQWNXEDB-VXGBXAGGSA-N	264.369	1.925	10	20	CDCD	
O=C(O)[C@@H](CC1CC1)NCc1ccc2c(c1)CCO2	871882984	ZFOTVIPQBNAQDO-CYBMUJFWSA-N	261.321	1.964	10	20	CDCD	
CNS(=O)(=O)[C@@H]1CCCN(Cc2c(C)cccc2O)C1	876735782	HTZQODPUWXBQME-GFCCVEGCSA-N	298.408	1.214	10	20	CDCD	
C[C@H]1CN(C(=O)NCc2ccc(N)cc2)C[C@H](C2CC2)O1	1120591994	OGVJYEFVLYDMJO-XHDPSFHLSA-N	289.379	1.978	10	20	CDCD	
CCn1cnnc1CN[C@@H](C)c1c(O)cccc1F	886504956	AMUWKDZOMIQQMN-VIFPVBQESA-N	264.304	1.994	10	20	CDCD	
CCc1nn(C)cc1S(=O)(=O)Nc1ccc(O)cc1	882659326	ZXRKVHWKQVRQPQ-UHFFFAOYSA-N	281.337	1.489	10	20	CDCD	
COC(=O)C1(CNCc2c(O)cccc2OC)CC1	777219245	FAEDKYSCFYCLQP-UHFFFAOYSA-N	265.309	1.444	10	20	CDCD	
Cc1cc(C(=O)N[C@H](CO)C2CC2)c(C)n1-c1ccccn1	771028736	DEKISEGLPLVLEV-OAHLLOKOSA-N	299.374	1.990	10	20	CDCD	
C[C@@H](NCCN1CCC(O)CC1)c1c(O)cccc1F	886622595	XTPBHKLZJZYLDJ-LLVKDONJSA-N	282.359	1.639	10	20	CDCD	
CN1CC[C@@H]2CN(C(=O)c3c(F)ccc(O)c3O)C[C@@H]2C1	898166558	AAMZREWEGHXZOD-ZJUUUORDSA-N	294.326	1.261	10	20	CDCD	
COc1cc(C)cc(CN2[C@@H](C)[C@H](C)NC(=O)[C@H]2C)c1O	895123059	WHELVTCRTOVQCE-SDDRHHMPSA-N	292.379	1.807	10	20	CDCD	
C[C@@H](NCC(=O)NCC(F)F)c1cc(F)cc(F)c1O	795846605	ZHVQXWPLBKZBAU-ZCFIWIBFSA-N	294.248	1.702	10	20	CDCD	
C[C@@H]1C(=O)N(C)CCN1Cc1ccc(N2CCCC2)cc1	1204320912	DGLGVUKLANNQEP-CQSZACIVSA-N	287.407	1.949	10	20	CDCD	
Cc1cnn(C)c1C(=O)NCCc1ccc(N)cc1	1336977367	IJAQPSWXINQSHQ-UHFFFAOYSA-N	258.325	1.283	10	20	CDCD	
CCN1C[C@H](C(=O)N(C)c2ccc(N)cc2)CC1=O	702070300	ABLPKEFIYGNOOU-SNVBAGLBSA-N	261.325	1.100	10	20	CDCD	
CCC[C@@H](C)NC(=O)C(=O)NCc1ccc(N(C)C)cc1	1325745454	IDIOWVKHYJYSLL-GFCCVEGCSA-N	291.395	1.674	10	20	CDCD	
COc1ccc(N(C)CCOC(=O)N(C)C)cc1	1332537155	ADTCXHSNNBTIRK-UHFFFAOYSA-N	252.314	1.830	10	20	CDCD	
C[C@H](N[C@@H]1CCC(=O)NC1=O)c1ccc(N(C)C)cc1	89752066	RDTRPYAQZIMGHC-GXFFZTMASA-N	275.352	1.208	10	20	CDCD	
COCc1nocc1C(=O)NCc1ccc(N(C)C)cc1	1346088937	HCQZZNQXABPNTF-UHFFFAOYSA-N	289.335	1.817	10	20	CDCD	
COc1cccc(CN2C[C@@H]3CCNC[C@@H]3C2)c1O	904421278	WPPVTZBLTMYCFN-WCQYABFASA-N	262.353	1.442	10	20	CDCD	
CN1CCCC[C@H]1CNC(=O)NCc1ccccc1O	1341266268	UHQAMVQLRZRSMV-ZDUSSCGKSA-N	277.368	1.676	10	20	CDCD	
CC(C)Cn1nccc1C(=O)NCc1cccc(O)c1O	1347542411	MAWVRCOMJXRSFC-UHFFFAOYSA-N	289.335	1.880	10	20	CDCD	
CC(C)N1C(=O)CC[C@H]1C(=O)NCc1cccc(O)c1O	1528770683	CRCQKNXZRQUZEO-NSHDSACASA-N	292.335	1.113	10	20	CDCD	
CCOc1ccc(O)c(CN2C[C@@H](C)O[C@@H](C(=O)O)C2)c1	1605697968	WQNAICWOJCLJAP-QMTHXVAHSA-N	295.335	1.465	10	20	CDCD	
O=C(O)c1ccc(C(=O)NCc2c(O)cccc2O)o1	1602323896	MJQOURXJZCQLAB-UHFFFAOYSA-N	277.232	1.319	10	20	CDCD	
Cc1cc(CN2CCCNC[C@H]2C(=O)O)ccc1N(C)C	1600197081	REIDZDKSZYUFSI-HNNXBMFYSA-N	291.395	1.310	10	20	CDCD	
CNC(=O)c1c(NCc2ccc(N)cc2)n[nH]c1C	1578561301	QAFYJKZZZHXMKK-UHFFFAOYSA-N	259.313	1.272	10	20	CDCD	
c1cc(Sc2nccs2)nc(-c2nn[nH]n2)n1	1593562489	LOQKWNOMBXWFEQ-UHFFFAOYSA-N	263.311	1.264	10	20	CDCD	
Cc1cn(C)c(CN(C)c2ccc(OCC(=O)O)cc2)n1	1777478301	NKEFUOLZXRMJMY-UHFFFAOYSA-N	289.335	1.828	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)C2CCN(C)CC2)c1	153948641	HOUAJBMOYNADEY-LLVKDONJSA-N	292.379	1.920	10	20	CDCD	
COc1cc(N(C)C[C@@H](C)N)cc(OC)c1OC	258803079	RMWDYXJOEIBJDM-SECBINFHSA-N	254.330	1.496	10	20	CDCD	
Cc1ccc(O)c(CN2CCC[C@@H](NS(C)(=O)=O)C2)c1	154125746	QZCNBXSOEXZMDK-CYBMUJFWSA-N	298.408	1.214	10	20	CDCD	
CN(CCNC(=O)Cc1ccc(N)cc1)C1CCCC1	71376431	IAEYCGPOAPXZBQ-UHFFFAOYSA-N	275.396	1.802	10	20	CDCD	
CC(C)CNCC(=O)N[C@H](C)c1ccccc1O	1262009978	OXYIIBCDOJQXGX-LLVKDONJSA-N	250.342	1.815	10	20	CDCD	
CCN(CCC(=O)OC)Cc1cc(F)ccc1O	179969931	WXKJMFNTDXSOCM-UHFFFAOYSA-N	255.289	1.916	10	20	CDCD	
CCC(=O)NC1CCN(C(=O)c2cccc(O)c2O)CC1	1352868739	UJJRQJYWQFOBSV-UHFFFAOYSA-N	292.335	1.229	10	20	CDCD	
Cn1nccc1CNCc1ccc(N2CCOCC2)cc1	69678805	GNVGVHCFIMFKIG-UHFFFAOYSA-N	286.379	1.547	10	20	CDCD	
Cc1ccc(O)c(CN2CCN(CC(C)(C)O)[C@H](C)C2)c1	188897996	JFNDAPVJWRYTEK-CQSZACIVSA-N	292.423	1.978	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CCNC(=O)C1	124517218	QOIQCSKYBYMPQZ-LBPRGKRZSA-N	289.379	1.203	10	20	CDCD	
CO[C@H](C)CCC(=O)N[C@H](C)Cc1ccc(O)c(O)c1	186443716	KJWQUXLJHQATSM-GHMZBOCLSA-N	281.352	1.960	10	20	CDCD	
COc1cccc(CNC(=O)c2cccc(=O)n2C)c1O	133758147	YJNRLSHWTFQAJW-UHFFFAOYSA-N	288.303	1.030	10	20	CDCD	
COc1cc(Cl)cc(CNC[C@H](O)C2CC2)c1O	229051965	JEWAGOYVLHMIHN-NSHDSACASA-N	271.744	1.915	10	20	CDCD	
COc1ccc(O)c(CN[C@H]2C(=O)NCC[C@@H]2C)c1	195006863	BGWABKITWHHUSW-TVQRCGJNSA-N	264.325	1.015	10	20	CDCD	
C[C@H](NC[C@H]1COCCN1)c1cc(Cl)ccc1O	530226379	OWVINMBZQYCJSM-ONGXEEELSA-N	270.760	1.685	10	20	CDCD	
COC(=O)[C@H]1COCCN1Cc1ccc(N(C)C)cc1	260205406	VHTNKTXLZAHTAU-CQSZACIVSA-N	278.352	1.126	10	20	CDCD	
O=C(C[C@H]1CCCO1)NCc1ccc(O)c(O)c1	269109621	QYDRJVLCCFYCMP-SNVBAGLBSA-N	251.282	1.283	10	20	CDCD	
Cc1ccc(O)c(CNC[C@H](CO)[C@@H]2CCOC2)c1	280306634	NYXFYEVFMVBJKY-TZMCWYRMSA-N	265.353	1.435	10	20	CDCD	
CC[C@@H]1CN(C(=O)c2cccc(O)c2O)C[C@@H](C)[S@]1=O	287211158	IITIWSCIFICKPH-ODXZIHIVSA-N	297.376	1.469	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N[C@H]2C[C@@H](O)C2)cc1	296410545	RRWFEBVPWFMKEM-BJHJDKERSA-N	263.341	1.075	10	20	CDCD	
O=C1CCCN1C[C@H]1CCN(Cc2cc(F)ccc2O)C1	827634625	WMXJYGDVORLXRP-LBPRGKRZSA-N	292.354	1.976	10	20	CDCD	
Oc1ccccc1CNCc1cc(-c2nn[nH]n2)cs1	823731669	BGSYBPKLMHNLMC-UHFFFAOYSA-N	287.348	1.924	10	20	CDCD	
Cc1cc(O)c(CNC[C@]2(O)CCO[C@H]2C)cc1Cl	825731146	DANCZWAWPZHDBQ-IINYFYTJSA-N	285.771	1.984	10	20	CDCD	
COc1ccc(O)c(CN2C[C@H](C)N(CCO)[C@H](C)C2)c1	824926448	NRDPKNZYHQWKCM-BETUJISGSA-N	294.395	1.288	10	20	CDCD	
O=C(NCCOCC1CC1)NCc1ccccc1O	731115728	HPGGXIVHVKPXOG-UHFFFAOYSA-N	264.325	1.618	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)NCC[S@](C)=O	735102557	JSVWPIFREGIKNF-FQEVSTJZSA-N	297.424	1.239	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@H](O)C(C)(C)C)c1	735857577	ANWZIIOXICMVRD-ZANVPECISA-N	281.352	1.985	10	20	CDCD	
CCc1noc(C(=O)N(C)Cc2ccccc2O)n1	902616741	FKKXVZKXSQCESE-UHFFFAOYSA-N	261.281	1.610	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)NCC[C@@H](O)C2CC2)c1	903405930	GEIJFIGOLLIAHG-IINYFYTJSA-N	293.363	1.990	10	20	CDCD	
O=C(O)C[C@@H]1CCCCN1Cc1cc2c(cc1O)OCO2	739639362	LINRDWIRVNDPLK-NSHDSACASA-N	293.319	1.950	10	20	CDCD	
C[C@H]1C(=O)CC[C@H]1CC(=O)NCc1ccc(O)cc1O	910946181	KBKORKLJXZYNSC-ZJUUUORDSA-N	277.320	1.719	10	20	CDCD	
Nc1ccc(NC(=O)c2ccc(N3CCOCC3)nc2)cc1	832250275	NVBMVAPBKHLKLR-UHFFFAOYSA-N	298.346	1.753	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)O[C@@H]2CCOC2)c1	918004032	JZKFDDFQFZBIFT-LLVKDONJSA-N	251.282	1.716	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NCCCNC2CC2)cc1	841652500	DTQJFPWIDFDXQW-UHFFFAOYSA-N	290.411	1.694	10	20	CDCD	
CC(C)C1(O)CN(C(=O)NCCc2ccc(N)cc2)C1	841960230	YOJWQSFZGVPQKN-UHFFFAOYSA-N	277.368	1.224	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)c2cnc(C)n2C)c1	913000275	FZCUVQAUQMNYIW-UHFFFAOYSA-N	259.309	1.673	10	20	CDCD	
CC[C@H](O)CNCc1ccc(N2CCC(CO)CC2)cc1	843065110	IZKYQFLHLLKOKA-KRWDZBQOSA-N	292.423	1.756	10	20	CDCD	
CC(C)O[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(N)cc2)C1	841141898	QHWQZTCWDXVFPL-BETUJISGSA-N	291.351	1.280	10	20	CDCD	
CCOc1ccc(O)c(CN2CCC[C@@H](CN)C2)c1	843047520	RWLGAXCSJYXOKP-LBPRGKRZSA-N	264.369	1.962	10	20	CDCD	
C[C@@H](CN)N(C)C(=O)NCc1ccc(N(C)C)cc1	841651749	AEMZNVWUXSXTIG-NSHDSACASA-N	264.373	1.241	10	20	CDCD	
CCO/C=C/C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	847696197	MPEGTVLXNVDMLH-VQCYPWCPSA-N	265.309	1.695	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNCCN1CCCOCC1	840948935	MTBBPHHSMRGKAK-UHFFFAOYSA-N	291.439	1.873	10	20	CDCD	
Nc1ccc(CCNC(=O)NC[C@H]2CCC=CO2)cc1	841886047	XACFVWVRSQNIMW-CQSZACIVSA-N	275.352	1.803	10	20	CDCD	
COc1ccc(N(C)CCN(C)Cc2cc[nH]n2)cc1	844400888	GHYDCSHYTQPHPU-UHFFFAOYSA-N	274.368	1.987	10	20	CDCD	
CCO[C@H]1COCC[C@@H]1NC(=O)NCc1ccccc1O	759299358	DXUMCEAXFTWYKC-JSGCOSHPSA-N	294.351	1.385	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)[C@H]2C[C@H](N)C2)cc1	852860684	UQSZMPJPCGEDQD-HDJSIYSDSA-N	275.396	1.886	10	20	CDCD	
CCN(C)C(=O)COC(=O)/C=C/c1ccc(O)c(O)c1	759596755	PQLNFGAYSDEAIS-FNORWQNLSA-N	279.292	1.133	10	20	CDCD	
C[C@H](C(=O)N(C)Cc1ccccc1O)[C@@H]1CCC(=O)N1	860049320	UKQLIBCKHKDGIJ-JQWIXIFHSA-N	276.336	1.265	10	20	CDCD	
CN(CC[C@@H]1CCS(=O)(=O)C1)c1ccc2c(c1)OCO2	760888199	RWEWMGDTIUYPGT-LLVKDONJSA-N	297.376	1.676	10	20	CDCD	
C[C@@](O)(CNC(=O)/C=C/c1ccc(O)c(O)c1)C1CC1	779525083	IIUCLIFVDLREAW-NKPGBKMFSA-N	277.320	1.388	10	20	CDCD	
Cc1nnccc1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	773768874	LYXNDSUGJGUTBP-VIFPVBQESA-N	287.319	1.557	10	20	CDCD	
COCCOC1CN(Cc2ccc(N(C)C)c(F)c2)C1	779431932	IDSWBRAKXIAXMS-UHFFFAOYSA-N	282.359	1.739	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNCC2(O)CCC2)c1O	775020529	HORZAXZRPRXEGA-UHFFFAOYSA-N	282.296	1.314	10	20	CDCD	
O=C1N[C@H](c2ccc(O)c(O)c2)N2CCc3ccccc3[C@H]12	877855849	KXWCMUYNWJLOLY-CVEARBPZSA-N	296.326	1.826	10	20	CDCD	
CC(C)(C)C[C@@H](CO)NC(=O)c1cc(O)cs1	778511745	RBZKLFKDEUTTGU-QMMMGPOBSA-N	257.355	1.981	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@@H](OC)C(C)C)c1	771415997	BBNBBJAAFBKDJS-ZDUSSCGKSA-N	267.325	1.688	10	20	CDCD	
CC(C)c1cc(NS(=O)(=O)c2cnnn2C)ccc1O	882799290	XDYRGNMGKCXLIV-UHFFFAOYSA-N	296.352	1.445	10	20	CDCD	
CO[C@@H]1COCC[C@H]1CNCc1cc(F)cc(F)c1O	883132989	LJXOZCXRWXTNLH-TVQRCGJNSA-N	287.306	1.812	10	20	CDCD	
COc1ccc(/C=C2\SC(=S)NC2=O)cn1	780149114	UFIHKMIIFDAPMU-DAXSKMNVSA-N	252.320	1.579	10	20	CDCD	
COC(=O)[C@@H](NCc1ccc(OC)c(OC)c1O)C1CC1	893952639	YGYUVCQYBWWAQL-LBPRGKRZSA-N	295.335	1.451	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCS[C@H]2COCC[C@H]21	275078673	DBRSQXKEYPQYFC-PWSUYJOCSA-N	295.360	1.444	10	20	CDCD	
CCCN(CCCS(N)(=O)=O)Cc1ccccc1O	170914729	HALYHRAYBZTKEY-UHFFFAOYSA-N	286.397	1.283	10	20	CDCD	
CN(CCOCCN)Cc1cc(Cl)ccc1O	699484112	XXGADYISLDIMBU-UHFFFAOYSA-N	258.749	1.453	10	20	CDCD	
C[C@H](NCc1ncn(C)n1)c1ccc(N(C)C)cc1	90969764	MKHYGWNAFVDPAH-NSHDSACASA-N	259.357	1.732	10	20	CDCD	
CC[C@H](C(=O)NCc1ccc(N)cc1)N1CCCC1=O	1343472629	JLKNEWIPTQRPMX-CYBMUJFWSA-N	275.352	1.286	10	20	CDCD	
COc1ccc(O)c(CN2CCSC[C@H](C(=O)O)C2)c1	1607277547	GOLWEAYUXJWVFI-LLVKDONJSA-N	297.376	1.650	10	20	CDCD	
C[C@@H]1CCCN1S(=O)(=O)NCc1ccc(N)cc1	1576715041	QVZZUKYSYXPKMC-SNVBAGLBSA-N	269.370	1.088	10	20	CDCD	
COc1cc(C)cc(CN2C[C@H]3[C@@H](C2)[C@@H]3C(=O)O)c1O	1599392949	XBQSNQVCSYCGHY-PJXYFTJBSA-N	277.320	1.472	10	20	CDCD	
C[C@@H](NCC[C@@H]1CCNC1)c1cc(C(=O)O)ccc1O	1593265158	QJUFFIAEPOCEMI-MNOVXSKESA-N	278.352	1.741	10	20	CDCD	
O=C(C[C@@H]1CCCN1)NCCCSc1nccs1	158526578	UQWZMGHIRDLKNG-JTQLQIEISA-N	285.438	1.884	10	20	CDCD	
COc1ccc(O)c(CN(C)[C@H]2CCN(C)C2=O)c1	271830842	OSCLNSHQEQYALL-LBPRGKRZSA-N	264.325	1.063	10	20	CDCD	
CCN(CC)c1ccc(CNCc2nncn2C)cc1	37988968	AXNGKIQODWSHHJ-UHFFFAOYSA-N	273.384	1.951	10	20	CDCD	
C[C@H](N[C@@H]1CCCNC1=O)c1ccc(N(C)C)cc1	50395130	QMBKARQQPGIJMK-SMDDNHRTSA-N	261.369	1.682	10	20	CDCD	
Cc1cccc(CN2CCC(CS(C)(=O)=O)CC2)c1O	292731533	GIZNFUKMSOJSAN-UHFFFAOYSA-N	297.420	1.957	10	20	CDCD	
CC(=O)N[C@H](C(=O)N(C)c1ccc(N)cc1)C(C)C	702097304	LDZFSZGFXQYREZ-ZDUSSCGKSA-N	263.341	1.392	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@@H](C)SC)c1	114540501	RXKSJYPLLCJUNN-MRVPVSSYSA-N	255.339	1.769	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@H]2CCOC2)c1	114542941	QIPZFELXMGHHFJ-VIFPVBQESA-N	251.282	1.054	10	20	CDCD	
COC[C@@H](CO)NCc1ccc2c(c1)CCCO2	922081234	KBMGVHSIFLNOKV-CYBMUJFWSA-N	251.326	1.109	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)Cc2ccn(C)n2)c1	184026410	YTDSWPCHAUPMPI-JTQLQIEISA-N	289.335	1.554	10	20	CDCD	
CCN1CCN(c2cc(OC)c(OC)c(OC)c2)CC1	183701955	WQRMNQMLKYCSCR-UHFFFAOYSA-N	280.368	1.854	10	20	CDCD	
COC(=O)N1CC(N[C@H](C)c2ccccc2O)C1	183622513	SWGHMFJQEBXAKQ-SECBINFHSA-N	250.298	1.493	10	20	CDCD	
COc1ccc(CNCCCOCCO)cc1C	227334987	KWYCNXGWACHJQY-UHFFFAOYSA-N	253.342	1.492	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NCCCCO)cc1F	194350413	QHWPHGYSTCMKLV-UHFFFAOYSA-N	283.347	1.463	10	20	CDCD	
Cc1nn(C)c(C)c1CC(=O)NCCc1ccc(N)cc1	237682949	HMBFYWLMAHTRRK-UHFFFAOYSA-N	286.379	1.521	10	20	CDCD	
COc1cccc(CN2CC[C@H](C(=O)O)[C@H]2C)c1O	92943102	OCWCSNIIXNMKJO-KOLCDFICSA-N	265.309	1.696	10	20	CDCD	
C[C@@H]([C@@H](C)N(C)Cc1cc(F)ccc1O)S(C)(=O)=O	180159622	MLJJAFRGQNYEMK-ZJUUUORDSA-N	289.372	1.785	10	20	CDCD	
C[C@@H](CN1CCCC1=O)N[C@H]1CCc2cccc(O)c21	296189299	YKZMHUYHMBHEFV-AAEUAGOBSA-N	274.364	1.980	10	20	CDCD	
COC[C@@H](CN[C@H]1CCc2cccc(O)c21)OC	296604388	XXZRNLOOFOXEQG-NEPJUHHUSA-N	251.326	1.631	10	20	CDCD	
C[C@H]1CN(c2ccc(CNC(=N)N)cc2F)C[C@@H](C)O1	263979412	QQLLDCKTHVEGPM-AOOOYVTPSA-N	280.347	1.422	10	20	CDCD	
COC[C@H]1CN(C(=O)c2ccc(C)c(O)c2O)C[C@@H](C)O1	276117627	XYPPWJQKEUDZKZ-GHMZBOCLSA-N	295.335	1.282	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)NCc1cccnn1	278111170	ZOPFRSZDMLLLKD-UHFFFAOYSA-N	299.378	1.884	10	20	CDCD	
CCc1cc(=O)oc2cc(OCC(=O)C(C)=O)ccc12	289604103	KKDHILDSBSXRHH-UHFFFAOYSA-N	274.272	1.892	10	20	CDCD	
COC(=O)[C@@H]1CN(Cc2cc3c(cc2O)OCO3)C[C@H]1C	280168965	FWBHAEVAAGADSA-MWLCHTKSSA-N	293.319	1.362	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1cncn1C	809682185	GHYTUMJAYDGFLC-UHFFFAOYSA-N	272.352	1.725	10	20	CDCD	
CO[C@H]1COC[C@@H]1NCc1cc(F)cc(C(C)=O)c1O	290099120	INCYDOSAFWQPHV-STQMWFEESA-N	283.299	1.237	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN(C2CC2)C2COC2)c1O	296070382	PVMTXWMWQSRCON-UHFFFAOYSA-N	294.307	1.672	10	20	CDCD	
C[C@@H](NCC1(CC(N)=O)CC1)c1cc(F)cc(F)c1O	817586029	KZLZJKVKJLJMEO-MRVPVSSYSA-N	284.306	1.977	10	20	CDCD	
C[C@H]1CN(C)C(=O)CN1Cc1cc(Cl)c(F)cc1O	816586224	CYTGPUXCJBZAPK-QMMMGPOBSA-N	286.734	1.847	10	20	CDCD	
C[C@@H]1C[C@H]1CN1C(=O)CN(Cc2ccccc2O)C1=O	819165255	RKTICVTTYPMHCP-PWSUYJOCSA-N	274.320	1.812	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)[C@@H](F)C(F)(F)F	815836013	NGMFARFXQZPVDC-MRVPVSSYSA-N	267.178	1.614	10	20	CDCD	
C[C@@H](CC(=O)O)N1CCN(C(=O)c2cc(O)cs2)CC1	827374557	IQAHPGDWKRBPCS-VIFPVBQESA-N	298.364	1.075	10	20	CDCD	
CN(C)c1ccc([C@H](N)CNC[C@]2(C)CCCNC2)cc1	904353415	MAIGCMNSLCMCRJ-IAGOWNOFSA-N	290.455	1.732	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N(CCCCO)C1CC1	588408631	RQZZBYCEDQTTHH-YWEYNIOJSA-N	291.347	1.875	10	20	CDCD	
O=C(CCNC(=O)c1cc(O)cs1)N=c1cc[nH]cc1	732280781	INKYUUFITRNVEA-UHFFFAOYSA-N	291.332	1.029	10	20	CDCD	
Cc1ccc(C(=O)N[C@H](C)Cc2cnn(C)c2)c(O)c1O	836980599	SGXKYARBZMWMBH-SNVBAGLBSA-N	289.335	1.501	10	20	CDCD	
CC[C@H]1CN(C(=O)C(=O)Nc2ccc(N)cc2)CCCO1	841124242	IVQXAUSNLGTXPV-ZDUSSCGKSA-N	291.351	1.235	10	20	CDCD	
COC[C@@]1(C)CCN(C(=O)NCCc2ccc(N)cc2)C1	841955546	GJIQZRVZULADSA-INIZCTEOSA-N	291.395	1.879	10	20	CDCD	
COc1cc(Cl)cc(CN[C@@H]2CCCNC2)c1O	841043529	SIRQIIBWOIOFBT-LLVKDONJSA-N	270.760	1.896	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)c1ncoc1C1CC1	910943555	DTZYUUONMZICLA-UHFFFAOYSA-N	274.276	1.893	10	20	CDCD	
CN[C@@H]1CCCN(Cc2ccc(N3CCOCC3)cc2)C1	843048606	JWPYZZWDGSVQNO-MRXNPFEDSA-N	289.423	1.707	10	20	CDCD	
COc1cc(C)cc(CN2CC[C@H](C(=O)N(C)C)C2)c1O	840178222	NAPVFFHLPUNJSB-LBPRGKRZSA-N	292.379	1.619	10	20	CDCD	
COc1cccc(CNC(=O)c2ncccn2)c1O	743333591	UIDDQNTYTVPFMB-UHFFFAOYSA-N	259.265	1.121	10	20	CDCD	
CCNCC(=O)N[C@H](C)c1cc(OC)ccc1O	843488997	AHWQVFXYGAPOHD-SECBINFHSA-N	252.314	1.188	10	20	CDCD	
C[C@@H](N)[C@H]1CCN(C(=O)NCc2ccc(N(C)C)cc2)C1	841653871	KJUHMQBVJOXHLI-OCCSQVGLSA-N	290.411	1.631	10	20	CDCD	
CCOC(=O)C1=NN(c2ccc(F)cc2)C(=O)[C@H]1C	871940597	LGQAOEZQGWSKFZ-QMMMGPOBSA-N	264.256	1.728	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1C[C@H]2C=C[C@H]1C2	922055676	SDVINDBSQWTPTH-NDYVEPOPSA-N	257.289	1.898	10	20	CDCD	
CN(C)c1cc(F)c(CN2CC(=O)N(C3CC3)C2)cc1F	862351244	HZEUGQWNYJJFIH-UHFFFAOYSA-N	295.333	1.795	10	20	CDCD	
C[C@H]1CSCCN1Cc1cc2c(cc1O)OC[C@@H]2O	768444702	BHJZTESRXPMGTH-ZANVPECISA-N	281.377	1.755	10	20	CDCD	
OCC1(CO)CCN(Cc2cccc(Cl)c2O)CC1	877798020	FXZLZEQTBPTJID-UHFFFAOYSA-N	285.771	1.612	10	20	CDCD	
O=C(CCCCN1CCCC1)NCc1ccc(O)c(O)c1	778918415	LAYKZDWXFCIFKW-UHFFFAOYSA-N	292.379	1.980	10	20	CDCD	
COCCOC[C@@H](O)CN[C@H](C)c1ccccc1O	879649116	ISGVKOXWHSYZEW-NEPJUHHUSA-N	269.341	1.067	10	20	CDCD	
Nc1ccc(CCNC(=O)[C@H]2CC[C@H](N)CC2)cc1	870936738	OGRZCDAKLWHLCY-MQMHXKEQSA-N	261.369	1.445	10	20	CDCD	
CN1CCN(c2ccc(CNCc3cnn(C)c3)cc2)CC1	776167814	GCWNBPCYXJJLCJ-UHFFFAOYSA-N	299.422	1.462	10	20	CDCD	
COc1ccc(O)c([C@H](C)NCc2ccn(C)c(=O)c2)c1	775376086	RWAIEABKCRJVDF-NSHDSACASA-N	288.347	1.950	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N1CC(C(F)F)C1	779533284	IFDNDDZPEUZDBI-RQOWECAXSA-N	269.247	1.835	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CCC(C)(C)O)cc1	786716721	MDPPPUDACGXWGF-UHFFFAOYSA-N	264.369	1.920	10	20	CDCD	
O=C(C[C@@H]1CCOC1)OCC(=O)c1ccc(O)c(O)c1	783763481	GYNGETJGNYPKIC-VIFPVBQESA-N	280.276	1.250	10	20	CDCD	
CC(C)(N)CCNC(=O)NCCc1ccc(N)cc1	892039137	PUZPZSSRYKNILG-UHFFFAOYSA-N	264.373	1.238	10	20	CDCD	
COC(=O)C1(C)CN(Cc2cc(C)cc(OC)c2O)C1	895058553	YZKKRDOTVJPMIT-UHFFFAOYSA-N	279.336	1.704	10	20	CDCD	
COCCCN(C)Cc1ccc(OC)c(OC)c1O	891819139	UDSJBAYGNBAIMR-UHFFFAOYSA-N	269.341	1.878	10	20	CDCD	
COc1ccc(CNC(=O)c2cc(C)ncn2)c(O)c1	794379785	SUJZANJXXHLGLT-UHFFFAOYSA-N	273.292	1.429	10	20	CDCD	
CC[C@@H](NCc1nnc2n1CCOC2)c1ccccc1O	1321029730	SFILJLLXNBRYRM-GFCCVEGCSA-N	288.351	1.755	10	20	CDCD	
C[C@@H](N[C@H]1CCN(C2CC2)C1=O)c1ccccc1O	708712066	GHQDXZZQHXBUDI-MFKMUULPSA-N	260.337	1.806	10	20	CDCD	
C[C@H](CS(C)(=O)=O)N(C)Cc1ccc(N)cc1	688559592	QRPVSHGNWKXGMX-SNVBAGLBSA-N	256.371	1.134	10	20	CDCD	
CCCCN(C)S(=O)(=O)NCCc1ccc(N)cc1	63129945	DTGNAFFTLNWBGX-UHFFFAOYSA-N	285.413	1.378	10	20	CDCD	
COCCN1CC[C@H](NCc2c(O)cccc2OC)C1	730818589	ZKGDEKGYYNXNPL-LBPRGKRZSA-N	280.368	1.211	10	20	CDCD	
Nc1ccc(CNC(=O)N[C@@H](CCO)C2CC2)cc1	1337017635	ADULTRMNSXBFMY-ZDUSSCGKSA-N	263.341	1.229	10	20	CDCD	
COC[C@H](O)CCN[C@H](C)c1ccc(N(C)C)cc1	90951396	VDRWVQGYZDQDRN-IUODEOHRSA-N	266.385	1.801	10	20	CDCD	
CN(Cc1ccccc1O)S(=O)(=O)CC1CCC1	92994245	MNPUOQXLWUEVAD-UHFFFAOYSA-N	269.366	1.954	10	20	CDCD	
CCN(C[C@@H]1CCOC1)C(=O)c1cccc(O)c1O	790590009	NFRMCOQZCOGMTA-JTQLQIEISA-N	265.309	1.596	10	20	CDCD	
COCC[C@@H](NCc1ccc(OC)c(C)c1)C(=O)O	1332223432	PLHKVSSZLCRSCA-GFCCVEGCSA-N	267.325	1.583	10	20	CDCD	
CCNC(=O)CN1CCN(c2ccc(OCC)cc2)CC1	1345029131	FKWBHHOCFQURHD-UHFFFAOYSA-N	291.395	1.343	10	20	CDCD	
CCC(=O)N1CCC[C@H](C(=O)NCc2ccc(N)cc2)C1	1515333760	VJFJJUDPCVSCOS-ZDUSSCGKSA-N	289.379	1.534	10	20	CDCD	
COc1cccc(CNC(=O)c2ccc(C(=O)O)[nH]2)c1O	1574634368	QTOTVDKESHVNFO-UHFFFAOYSA-N	290.275	1.357	10	20	CDCD	
O=C(O)CCCCC(=O)NCc1cccc(O)c1O	1595032652	DVUNLWHVQAOQCK-UHFFFAOYSA-N	267.281	1.359	10	20	CDCD	
COc1ccc(O)c(CNCC2(C(=O)O)CC2)c1	1599598924	VBIRLOSOYYWIST-UHFFFAOYSA-N	251.282	1.355	10	20	CDCD	
CN(C)c1ccc(CN[C@@H](Cc2cccnc2)C(=O)O)cc1	1777039805	WPETYFHOHVBSBQ-INIZCTEOSA-N	299.374	1.933	10	20	CDCD	
CN(C)c1ccc(CN2CCC[C@H](O)C2)cc1F	158760991	UQRHYPKNJHKVDJ-LBPRGKRZSA-N	252.333	1.848	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CCCN)cc1F	166462568	GTWWRZOWIVQWJD-UHFFFAOYSA-N	253.321	1.247	10	20	CDCD	
O=C(COCC1CC1)NCCc1ccc(O)c(O)c1	156657082	NXCFAZLWZXMUMB-UHFFFAOYSA-N	265.309	1.183	10	20	CDCD	
COc1ccc(O)c(CNC[C@]2(O)CCO[C@H]2C)c1	228094447	JRSQOWXFMCJNRA-IINYFYTJSA-N	267.325	1.030	10	20	CDCD	
CC(=O)NCCCCCC(=O)Nc1ccc(N)cc1	236643719	VRXFOLRTNOBGFK-UHFFFAOYSA-N	263.341	1.904	10	20	CDCD	
Nc1ccc(NC(=O)CCOC2CCOCC2)cc1	40991852	GASODDCOZVFJAP-UHFFFAOYSA-N	264.325	1.793	10	20	CDCD	
Cc1ccc([C@H](C)NCC2(O)CCN(C)CC2)c(O)c1	273619362	YOZATFFRZUYLQX-ZDUSSCGKSA-N	278.396	1.808	10	20	CDCD	
COc1ccc(O)c(CN[C@@H]2CCN(C3CC3)C2)c1	44685548	GZEXWFYPJJPVME-GFCCVEGCSA-N	262.353	1.727	10	20	CDCD	
COc1ccc(N2CCN(Cc3cc[nH]n3)CC2)cc1	179531148	QIACYIOKBZZNRX-UHFFFAOYSA-N	272.352	1.741	10	20	CDCD	
O=C(NC1CCC(CO)CC1)c1cccc(O)c1O	193158474	QRHHUHLEVIWZNK-UHFFFAOYSA-N	265.309	1.379	10	20	CDCD	
CCn1cc(CN(C)C(=O)c2cccc(O)c2O)cn1	703623212	ZMTHSUREDLEYIR-UHFFFAOYSA-N	275.308	1.586	10	20	CDCD	
COc1ccc(O)c(CNC[C@]2(C)CCOC2)c1	397304546	PPJQFVXDNSRUDM-AWEZNQCLSA-N	251.326	1.917	10	20	CDCD	
NC(=O)[C@@H]1CC[C@H](NCc2cc(Cl)ccc2O)C1	825278640	HCKLLXASNIFUNW-KCJUWKMLSA-N	268.744	1.789	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCCN2C)c1	104901000	RYONOWQHLZZYIR-GWCFXTLKSA-N	278.352	1.672	10	20	CDCD	
Cc1ccc(C(=O)N2CCC[C@H](O)C2)c(O)c1O	179420152	OLKMPDMNSCFXDU-VIFPVBQESA-N	251.282	1.003	10	20	CDCD	
COc1cccc(CN2CC[C@@H](S(C)(=O)=O)C2)c1O	282801576	RYPAHYRTGFDTHD-LLVKDONJSA-N	285.365	1.020	10	20	CDCD	
COCCCOCC(=O)NCc1ccc(N(C)C)c(F)c1	180096864	DHOCVIAQFGDORP-UHFFFAOYSA-N	298.358	1.561	10	20	CDCD	
C[C@@H](CCN1CCN(C)CC1)NCc1ccccc1O	185871484	SVWMWRSWTNYZDF-AWEZNQCLSA-N	277.412	1.508	10	20	CDCD	
COc1ccc(O)c(CN2CCC[C@H](C3OCCO3)C2)c1	180014641	YRUWJAWYDKGWHS-LBPRGKRZSA-N	293.363	1.986	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)NCC(F)(F)F	184926995	ZLHHRTWHWSNDGP-SSDOTTSWSA-N	292.257	1.890	10	20	CDCD	
COc1ccc(O)c(CNC(=O)COC(C)(C)C)c1	182345519	UGAIAVJXFUPEHW-UHFFFAOYSA-N	267.325	1.832	10	20	CDCD	
C[C@H](N[C@@H]1CC(=O)N(C2CC2)C1)c1cc(F)ccc1O	186089384	VKHHEXYKRRDSKY-GXSJLCMTSA-N	278.327	1.945	10	20	CDCD	
CCCS(=O)(=O)CC(=O)NCc1ccc(N(C)C)cc1	48927739	XKFAHWTYOOQTHK-UHFFFAOYSA-N	298.408	1.194	10	20	CDCD	
COc1ccc(N2CCN(Cc3cnns3)CC2)cc1	290160006	XKFJBMWRQKRIII-UHFFFAOYSA-N	290.392	1.869	10	20	CDCD	
COC[C@@H]1CN(Cc2cc(OC)c(C)cc2O)C[C@H](C)O1	190206613	TUXZBNYGCUEIED-JSGCOSHPSA-N	295.379	1.945	10	20	CDCD	
CCS(=O)(=O)N1CCN(Cc2cccc(C)c2O)CC1	179668842	FSGRKNUEDITSGR-UHFFFAOYSA-N	298.408	1.168	10	20	CDCD	
CN(Cc1cc2c(cc1O)OCO2)CC1(O)CCCC1	93503218	HGWDLICRECXOFV-UHFFFAOYSA-N	279.336	1.858	10	20	CDCD	
CCOC[C@@H](O)CN(C)c1ccc(OC)cc1OC	269845093	WJCAWRDMINPURR-NSHDSACASA-N	269.341	1.537	10	20	CDCD	
CNC(=O)NCC(=O)NCc1c(C)c2ccccc2n1C	352126254	RBBFKFSQGIOYIA-UHFFFAOYSA-N	288.351	1.032	10	20	CDCD	
CN(C)c1ccc(CN2C(=O)[C@H]3CCCN3C2=O)cc1F	272021138	ADQCUAQCQFCTBM-CYBMUJFWSA-N	291.326	1.818	10	20	CDCD	
COCC1(O)CCN(Cc2cc3c(cc2O)OCO3)CC1	270196381	BNDSOZQJOVSNAI-UHFFFAOYSA-N	295.335	1.094	10	20	CDCD	
CCOC(=O)CN(Cc1cc2c(cc1O)OCO2)C(C)C	271113224	FNDVBAQZYBERGE-UHFFFAOYSA-N	295.335	1.894	10	20	CDCD	
CC(=O)C(=O)CSc1nc2nc(C)c(C)c(C)n2n1	289532975	DYUCLXNGUZLMDZ-UHFFFAOYSA-N	278.337	1.300	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)N[C@@H](C)CN(C)C)c1	286892333	DDOZQFVWXNMVIS-WDEREUQCSA-N	280.368	1.780	10	20	CDCD	
CN(c1ccc(/C=C\C(=O)O)cc1[N+](=O)[O-])[C@@H]1CCOC1	384438439	LIMGUBUBWHNJTG-USEMIUTHSA-N	292.291	1.918	10	20	CDCD	
CCCOc1ccc(CNc2ncn(C)n2)c(O)c1	292404461	JJTHOKFTDPSXJM-UHFFFAOYSA-N	262.313	1.922	10	20	CDCD	
Oc1ccc(Cl)cc1CN[C@@H]1CCc2nnnn2CC1	817419098	PBGMNRUMDZXLJG-LLVKDONJSA-N	293.758	1.527	10	20	CDCD	
CO[C@@H]1CCOC[C@H]1NCc1cc(F)cc(F)c1O	724880973	WHYQRAXCRMJLFY-VXGBXAGGSA-N	273.279	1.564	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@H]2C[C@@H](O)C2)c1	821065098	KWOXABSEQFYKOJ-LPEHRKFASA-N	265.309	1.349	10	20	CDCD	
COc1cccc(O)c1CN(C)CC(C)(C)CO	824631285	XPSDDOPRKDQQNN-UHFFFAOYSA-N	253.342	1.851	10	20	CDCD	
C[C@@H](NC(=O)[C@H]1CCCN1C=O)c1ccccc1O	827952127	GXHLRQOLGHMZDI-ZYHUDNBSSA-N	262.309	1.190	10	20	CDCD	
C[C@]1(C(=O)O)CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1	833554218	SNADXVJEENDFLP-UJAVWCLSSA-N	291.303	1.434	10	20	CDCD	
C[C@]1(CN[C@@H]2CCc3cccc(O)c32)CCC(=O)N1	834907709	AJOLTMVIWJCHJA-IAQYHMDHSA-N	260.337	1.638	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)Cc2ncc[nH]2)c1	830540852	OODAQPSRXNRAOY-SECBINFHSA-N	275.308	1.544	10	20	CDCD	
CCCN[C@@H](C)C(=O)NC[C@H](N)c1ccc(N(C)C)cc1	841845974	INBQSUYJPAQUNT-WFASDCNBSA-N	292.427	1.257	10	20	CDCD	
C[C@H](NC(=O)N(C)Cc1ccccc1O)[C@@H]1CCCNC1	841929222	UYQPAEWMBSVCRK-QWHCGFSZSA-N	291.395	1.922	10	20	CDCD	
C[C@H](N)CCNC(=O)NCCCSc1nccs1	841857931	RMVVDSHPRRVAGW-VIFPVBQESA-N	288.442	1.662	10	20	CDCD	
CC(C)(CO)[C@@H](NC(=O)c1cccc(O)c1O)C1CC1	848247599	OOEHROQSMQSNCF-ZDUSSCGKSA-N	279.336	1.625	10	20	CDCD	
C[C@H](CN)NC(=O)NCc1ccc(N2CC=CC2)cc1	841832486	OSKZSPAWCAESPW-GFCCVEGCSA-N	274.368	1.209	10	20	CDCD	
C[C@H](O)CN(C)c1ccc(/C=C/C(=O)O)cc1[N+](=O)[O-]	844207193	BZJPXCDXKMVLMR-DNQSNQRASA-N	280.280	1.510	10	20	CDCD	
COc1ccc(CNC(=O)N[C@@H]2CCN[C@H](C)C2)c(O)c1	841983619	DWFPIXJIZXZDKW-ZYHUDNBSSA-N	293.367	1.341	10	20	CDCD	
C[C@H]1C[C@H](NCCN2CC[C@@H](O)C2)c2c(O)ccc(F)c21	858546950	BJFPSVWJTNVURJ-LOWVWBTDSA-N	294.370	1.736	10	20	CDCD	
COc1cc(N(C)Cc2cnc[nH]2)c([N+](=O)[O-])cc1OC	853742898	GVYOGJPNDDJXMJ-UHFFFAOYSA-N	292.295	1.972	10	20	CDCD	
O=C(c1cc(O)cs1)N1CC[C@H]([C@H]2CCOC2)C1	750538393	HJTTWHCXBRADLE-UWVGGRQHSA-N	267.350	1.952	10	20	CDCD	
Cc1ccc(C(=O)OCCC(C)(C)O)c(O)c1O	765464286	XVALNXYLXZYTBO-UHFFFAOYSA-N	254.282	1.724	10	20	CDCD	
CC[C@@H](NC(C)=O)C(=O)N[C@H](C)c1cc(OC)ccc1O	866765040	QDPMGOJGOSMNLB-NOZJJQNGSA-N	294.351	1.493	10	20	CDCD	
C[C@@H](NC(=O)NC[C@@H]1CCCNC1=O)c1ccccc1O	868700241	OVJXFRILTQUXAW-MNOVXSKESA-N	291.351	1.279	10	20	CDCD	
CCOc1ccc(CN2CC[C@H](CO)C2)c(O)c1	769245727	VHSLCPNKZCFGGX-NSHDSACASA-N	251.326	1.605	10	20	CDCD	
OC[C@H]1CSCCN1Cc1cc2c(cc1O)OCO2	877780393	PAAOTWPSYNYRBD-JTQLQIEISA-N	283.349	1.031	10	20	CDCD	
COC(=O)N[C@H](C(=O)N(C)c1ccc(N)cc1)C(C)C	877078458	QCFLMYXKEHKVBJ-LBPRGKRZSA-N	279.340	1.612	10	20	CDCD	
O=C(NCc1cccc2c1OCO2)c1cccc(O)c1O	776338460	IYJNRSBQTYPMBI-UHFFFAOYSA-N	287.271	1.757	10	20	CDCD	
Nc1ccc(CNC(=O)N2CCOCC(F)(F)C2)cc1	1120591608	CQBALSPAQCPPTA-UHFFFAOYSA-N	285.294	1.446	10	20	CDCD	
NC(=O)Nc1cccc(NC(=O)c2cccc(O)c2O)c1	776325950	UOPBOYSWLSYPKR-UHFFFAOYSA-N	287.275	1.841	10	20	CDCD	
COCCOC1CN(Cc2cc(OC)c(OC)cc2O)C1	779431748	DGXWZXLULTWDEN-UHFFFAOYSA-N	297.351	1.257	10	20	CDCD	
CC(C)(O)[C@H]1CCCN(C(=O)c2c(F)ccc(O)c2O)C1	881456533	QYMCRUFGOARDCS-VIFPVBQESA-N	297.326	1.860	10	20	CDCD	
O=C(COC(=O)[C@H]1C[C@H]2CC[C@H]1O2)c1ccc(O)c(O)c1	783673506	PNKGJGVVQSKDIJ-ISTVAULSSA-N	292.287	1.391	10	20	CDCD	
O=C(Nc1ncccc1O)c1c(F)ccc(O)c1O	790069852	DSWUWHWZDPJORN-UHFFFAOYSA-N	264.212	1.590	10	20	CDCD	
COc1cccc(CNC[C@H](CO)[C@@H]2CCOC2)c1O	795582145	IWAXQVGWGXFCFC-CHWSQXEVSA-N	281.352	1.135	10	20	CDCD	
C[C@H]1CN(Cc2ccc(N3CCCC3)cc2)CC(=O)N1	1204324625	NVFHZAVNQUWJIJ-ZDUSSCGKSA-N	273.380	1.607	10	20	CDCD	
Nc1ccc(NC(=O)CN2CCCCCC2=O)cc1	19393970	AGPYSCHUCQFZIK-UHFFFAOYSA-N	261.325	1.610	10	20	CDCD	
Oc1cc(Br)ccc1CNCCN1CCC1	691439420	DVKMGABZVUAGEN-UHFFFAOYSA-N	285.185	1.950	10	20	CDCD	
CN1CCCc2cc(CNC(=O)N[C@H]3C[C@H](O)C3)ccc21	1327678247	JCWDMNJAPIPUSK-HDJSIYSDSA-N	289.379	1.392	10	20	CDCD	
C[C@H](O)CN(Cc1ccccc1O)C[C@@H]1CCCO1	192994953	IHIJWOLEYFPOIR-JSGCOSHPSA-N	265.353	1.754	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H](C)n1ccnc1	1262338415	PPRZNNWASQAQCN-NSHDSACASA-N	294.351	1.952	10	20	CDCD	
CCN1C[C@H](C)N(C(=O)NCc2ccc(N)cc2)C[C@@H]1C	1353539894	PUYQRBZXEZEPJO-STQMWFEESA-N	290.411	1.893	10	20	CDCD	
COc1ccc(CN[C@@H]2C[C@@H]3C[C@H](C(=O)O)C[C@H]32)c(O)c1	1607260014	LXLNXFPPXSCFAD-CDGCEXEKSA-N	291.347	1.990	10	20	CDCD	
O=C(O)c1n[nH]c2c1CN(Cc1cc(F)ccc1O)CC2	1602567868	WYPDMOQCBUWGHX-UHFFFAOYSA-N	291.282	1.511	10	20	CDCD	
COc1cc(C)cc(CN[C@@H](CCN)C(F)F)c1O	1579144272	BDOVVNIUOKDFEV-JTQLQIEISA-N	274.311	1.781	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)CCC1CNC1	1577939820	RYIQQTYXEBJKLG-UHFFFAOYSA-N	283.368	1.494	10	20	CDCD	
C[C@H](C(=O)O)N(Cc1cccc(F)c1O)C1CC1	1573381593	LFKUXIQQYSEAHG-MRVPVSSYSA-N	253.273	1.969	10	20	CDCD	
Nc1cc(C(=O)NCc2ccc(O)cc2O)ccn1	1580434041	DQXPRYCFLYGWFJ-UHFFFAOYSA-N	259.265	1.005	10	20	CDCD	
CCOc1ccc(CN2CCC[C@H](O)[C@@H]2C(=O)O)c(O)c1	1597102328	VXVGNXVDUOURPI-GXTWGEPZSA-N	295.335	1.201	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ncccc1O	153024725	IKZDUTQUDONXRV-VIFPVBQESA-N	288.303	1.559	10	20	CDCD	
C[C@H](O)C[C@H]1CCCN1Cc1cc2c(cc1O)OCO2	155417930	NASYNRVELQKRSA-CMPLNLGQSA-N	279.336	1.856	10	20	CDCD	
C[C@@H](NC[C@H]1COCCO1)c1ccc(N(C)C)cc1	38060941	NUBZLKHHZJRSJY-DOMZBBRYSA-N	264.369	1.819	10	20	CDCD	
Cc1ccc(O)c([C@@H](C)NC[C@H]2CN(C)CCN2C)c1	68800935	ROCNVGCTTHTGLE-KGLIPLIRSA-N	277.412	1.597	10	20	CDCD	
CCn1cc(CNCc2ccc(N(C)C)cc2)nn1	404470817	YSZFQAJKOYOOTO-UHFFFAOYSA-N	259.357	1.654	10	20	CDCD	
CCc1cccc(CNCCN(C)C(=O)OC)c1O	689571458	ODLGXLIOMGJXHJ-UHFFFAOYSA-N	266.341	1.742	10	20	CDCD	
CCN1CCCC[C@H]1C(=O)NCc1cccc(OC)c1O	105650383	QXACAXNZODDWPU-ZDUSSCGKSA-N	292.379	1.891	10	20	CDCD	
O=C(O)C[C@@H]1COCCN1Cc1ccccc1O	128731073	DUOXBSXUJSFUCM-LLVKDONJSA-N	251.282	1.068	10	20	CDCD	
CCn1nccc1C(=O)NCc1ccc(O)c(O)c1	131840666	FACLWOAVTULOCJ-UHFFFAOYSA-N	261.281	1.244	10	20	CDCD	
O=C(Nc1cccnc1-n1cncn1)c1cccc(O)c1O	40821559	NPKJFMRCXGLGOY-UHFFFAOYSA-N	297.274	1.326	10	20	CDCD	
CONC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	193967558	BRFQPUGYRIOFAI-UHFFFAOYSA-N	297.330	1.147	10	20	CDCD	
CCn1ncnc1CN(C)c1ccc2c(c1)OCO2	193451174	WBVPMGLZJYVBHE-UHFFFAOYSA-N	260.297	1.663	10	20	CDCD	
Cc1cc(C(=O)N(C)[C@H](C)CN)c(C)n1-c1ccccn1	237636774	YBIZLXJXPJQLMG-GFCCVEGCSA-N	286.379	1.908	10	20	CDCD	
COc1cccc(CN2CC[C@H](N)[C@H](C)C2)c1O	94339021	NWELMVBKDFDFAQ-PWSUYJOCSA-N	250.342	1.570	10	20	CDCD	
CCCN(Cc1n[nH]c(=O)[nH]1)Cc1ccccc1O	91587902	WLQCWIKGYHTEPD-UHFFFAOYSA-N	262.313	1.216	10	20	CDCD	
COc1ccc(O)c(CN2CC[C@@H](C(=O)O)[C@H]2C)c1	92944183	CHSPPYSKYZDWNT-BXKDBHETSA-N	265.309	1.696	10	20	CDCD	
COCc1nc(C)cc(NCCc2ccc(O)c(O)c2)n1	267213403	BYWCIFHLHJYQHC-UHFFFAOYSA-N	289.335	1.997	10	20	CDCD	
C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)Cc1ccc(N)cc1	269272843	UJKLMLGARXONGB-NHYWBVRUSA-N	273.380	1.410	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)C[C@@H](CN)OC	278170883	CKSUFZDVZWKRKY-ZDUSSCGKSA-N	280.368	1.495	10	20	CDCD	
CCOCc1cc(CN[C@H](CO)COC)ccc1OC	279812946	OTXWXXLMCCHJOK-CQSZACIVSA-N	283.368	1.329	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNC[C@H](C)CCO)c1O	278550252	YXELBFCXUARIGK-SECBINFHSA-N	284.312	1.417	10	20	CDCD	
COC(=O)N1CCN(Cc2cc3c(cc2O)OCO3)CC1	387311175	LFYAWUWVELBYPU-UHFFFAOYSA-N	294.307	1.005	10	20	CDCD	
CCC[C@@H](OC)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	295683061	HKAKLDLRNNKCPT-QMTHXVAHSA-N	281.352	1.960	10	20	CDCD	
Nc1ccc(CCNC(=O)C[C@@H]2CCCC[C@@H]2N)cc1	295218887	QTMMORRZUPKNAK-ZFWWWQNUSA-N	275.396	1.835	10	20	CDCD	
CCn1c(SCC(=O)C(C)=O)nnc1C1CC1	808018130	GXENOGZWXSKJEO-UHFFFAOYSA-N	253.327	1.426	10	20	CDCD	
NC(=O)CC1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2O)C1	297310326	CFLUIWQSXDNTOY-UHFFFAOYSA-N	299.714	1.261	10	20	CDCD	
CCN(C)c1ccc([C@@H](C)N[C@@H](C)C(=O)NC)cc1	291905911	MEDRMNDPBLLFCC-NEPJUHHUSA-N	263.385	1.928	10	20	CDCD	
CN(C)c1ccc(CN2C[C@H]3C[C@H]2C(=O)O3)cc1F	294759348	IXLUYUUFNUGVPD-MFKMUULPSA-N	264.300	1.391	10	20	CDCD	
C[C@@H](NC[C@@H](N)c1ccc(N(C)C)cc1)c1nccn1C	817940285	FPYZGPSRQCZWOD-IUODEOHRSA-N	287.411	1.837	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)NC[C@@H](N)C2CC2)c1	817966015	ZEIGGCUPTBHOTR-TVQRCGJNSA-N	278.352	1.567	10	20	CDCD	
C[C@H](NCCC(=O)O)c1ccc(N2CCOCC2)cc1	818046306	RJQXXMLRSVIPMU-LBPRGKRZSA-N	278.352	1.649	10	20	CDCD	
COc1ccc(O)c(CNc2ccc(CO)cn2)c1	811501212	HIMJXRSAAJANBT-UHFFFAOYSA-N	260.293	1.900	10	20	CDCD	
CC[C@@H](CO)N(C)Cc1ccc(N2CCN(C)CC2)cc1	824533739	MAYPICFAELJDJW-INIZCTEOSA-N	291.439	1.641	10	20	CDCD	
COc1cccc(CNC(=O)COC[C@@H]2CCCO2)c1O	729859540	USFCZBWYTMGHBN-LBPRGKRZSA-N	295.335	1.213	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)[C@@H]2CCNC2=O)cc1	822607772	MTXDTBPSQMFMFL-CQSZACIVSA-N	289.379	1.285	10	20	CDCD	
CCN(CC)C(=O)CNC(=O)c1cc(O)cs1	732277059	CVIRWELTNTWFQH-UHFFFAOYSA-N	256.327	1.052	10	20	CDCD	
COCCCN(CC(=O)O)Cc1cc(Cl)ccc1O	737760348	SYYLUWMJPUAQCH-UHFFFAOYSA-N	287.743	1.969	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccc2nncn2c1	588407871	KSHDORNCFUYTDN-KXFIGUGUSA-N	296.286	1.792	10	20	CDCD	
COc1cccc(CNC(=O)[C@@H](CC(C)C)C(N)=O)c1O	839633491	RLICYORYYDCODD-NSHDSACASA-N	294.351	1.165	10	20	CDCD	
CCOC(=O)N[C@@H]1CCCN(C(=O)c2cc(O)cs2)C1	731871742	LWNLNKLJWACRFO-SECBINFHSA-N	298.364	1.804	10	20	CDCD	
CON1CCC(N(C)Cc2cc3c(cc2O)OCO3)CC1	835076281	MSHLELCKCZXLQS-UHFFFAOYSA-N	294.351	1.579	10	20	CDCD	
C[C@@H](NC(=O)NCCc1ccc(N)cc1)c1ccn(C)n1	841915007	CUYYKNGGYNQXKU-LLVKDONJSA-N	287.367	1.605	10	20	CDCD	
C[C@@H]1NCCN(Cc2cc3c(cc2O)OCO3)[C@H]1C	843057223	GUZRMRRTWRPJAA-UWVGGRQHSA-N	264.325	1.303	10	20	CDCD	
CN(C)c1ccc([C@@H](N)CN[C@@H]2CCCNCC2)cc1	841042698	MKFQYCWEEWPART-ZBFHGGJFSA-N	276.428	1.484	10	20	CDCD	
O=C(CSC1CC1)NCc1ccc(O)cc1O	910943719	GDVRERRKERLBHC-UHFFFAOYSA-N	253.323	1.610	10	20	CDCD	
CC(C)COC[C@@H](O)CN(C)c1ccc(N)cc1	923400960	PELWJZMECAZKTL-AWEZNQCLSA-N	252.358	1.739	10	20	CDCD	
CCC(CC)[C@H](O)CNC(=O)NCCc1ccc(N)cc1	841955845	PMQSFPJOMDRUGU-OAHLLOKOSA-N	293.411	1.908	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)N[C@H](CO)CCF)c1	846210373	ZIWKYPWKFGIASL-KOLCDFICSA-N	285.315	1.550	10	20	CDCD	
Oc1cc2c(cc1CNCC[C@]1(O)CCCOC1)OCO2	846112141	XLQCDAGOWWWEKQ-OAHLLOKOSA-N	295.335	1.142	10	20	CDCD	
Oc1cc2c(cc1CNC[C@H](O)c1ccco1)OCO2	747097488	FEBXDMUNPWTMMH-NSHDSACASA-N	277.276	1.537	10	20	CDCD	
COC(=O)[C@@H]1[C@H]2CN(Cc3ccc(N(C)C)cc3C)C[C@H]21	840950052	IXHZFYYYOACUAO-ZSHCYNCHSA-N	288.391	1.912	10	20	CDCD	
C[C@H]1C[C@@H](NCc2ccc(N3CCOCC3)cc2)CCN1	841061244	HGYDSMZFORNRAC-HOCLYGCPSA-N	289.423	1.753	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)[C@@H](C)C(=O)O	842587580	FRMZTYNVBZFPCT-SNVBAGLBSA-N	265.309	1.852	10	20	CDCD	
CC(C)(C)OC(=O)C(=O)NCCc1ccc(N)cc1	857764958	GGYMSLGTFPVTND-UHFFFAOYSA-N	264.325	1.269	10	20	CDCD	
C[C@@H]1COCCN(C(=O)NCc2ccc(N(C)C)cc2)C1	754020477	AWGLQDWBKNZKET-ZDUSSCGKSA-N	291.395	1.931	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC[C@H]2CCC(=O)O2)c1	851900337	SIKPWLDRIYKKER-GXSJLCMTSA-N	265.309	1.757	10	20	CDCD	
CCOc1ccc(CN[C@@H]2CCS(=O)(=O)[C@@H]2C)c(O)c1	858282232	USMUPNDIOYVPMA-ZWNOBZJWSA-N	299.392	1.456	10	20	CDCD	
CC(C)NC(=O)NC[C@@H](N)c1ccc(N(C)C)cc1	866757572	YWTPVLSYMTXBSU-CYBMUJFWSA-N	264.373	1.460	10	20	CDCD	
COc1cccc(O)c1CN1CCn2nc(C)nc2C1	769448001	WUGZQYKYTKUAKV-UHFFFAOYSA-N	274.324	1.317	10	20	CDCD	
COC(=O)c1ccc(C(=O)NCc2ccccc2O)nc1	769359838	HTIJAJONYOBODS-UHFFFAOYSA-N	286.287	1.504	10	20	CDCD	
CCOCCN1CCN(Cc2c(O)cccc2OC)CC1	768243287	JVHSJBQBHVSZBC-UHFFFAOYSA-N	294.395	1.555	10	20	CDCD	
CC[C@@H](NCCN1CCNC1=O)c1ccc(F)cc1O	886745100	OEOWWCLMVSXASD-GFCCVEGCSA-N	281.331	1.597	10	20	CDCD	
COC(=O)[C@H](CC(F)F)NCc1cc(C)ccc1O	789582506	RUAGSZKMCGMWSU-JTQLQIEISA-N	273.279	1.987	10	20	CDCD	
O=C(COC(=O)[C@@H]1C[C@@]12CCOC2)c1ccc(O)c(O)c1	784728881	LKFVWGUGGVSCOT-ZUZCIYMTSA-N	292.287	1.250	10	20	CDCD	
COCCOC[C@H](C)NC(=O)c1ccc(C)c(O)c1O	780952375	ZDXNEGDNKZXDHE-JTQLQIEISA-N	283.324	1.188	10	20	CDCD	
Cc1ccc(C(=O)NCCNc2ncccn2)c(O)c1O	780905909	FKGPUVOAPPFMIL-UHFFFAOYSA-N	288.307	1.038	10	20	CDCD	
COCCN1CC[C@@H](NCc2ccc(N(C)C)cc2C)C1	784548894	KUEJQSZQLJKIHE-MRXNPFEDSA-N	291.439	1.871	10	20	CDCD	
CC1(C)CCN(CCNCc2cc3c(cc2O)OCO3)C1	898035720	XJCDHXLEBLMJSY-UHFFFAOYSA-N	292.379	1.942	10	20	CDCD	
COCCC1(C(=O)NCc2ccc(OC)cc2O)CC1	794376744	JLJNKYDYVDJYCN-UHFFFAOYSA-N	279.336	1.834	10	20	CDCD	
Cn1cc(/C=C\C(=O)N(CCC(N)=O)c2ccccc2)cn1	1318157090	OHMOGVGEFWVSBZ-FPLPWBNLSA-N	298.346	1.342	10	20	CDCD	
CN[C@H](C)CCN[C@H](C)c1cc([N+](=O)[O-])ccc1O	1325743049	ITSKDHCZFLZOAH-NXEZZACHSA-N	267.329	1.949	10	20	CDCD	
Nc1ccc(CNC(=O)N2CCO[C@H](C(F)F)C2)cc1	1335724661	HZUADYCSODNKAS-NSHDSACASA-N	285.294	1.444	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CCC[C@@H]1O	1261960838	JLNRAZBTXJAQRK-GJZGRUSLSA-N	291.395	1.774	10	20	CDCD	
Nc1ccc(CN2CCC[C@@H](N3CCOCC3)CC2)cc1	1262488009	MYKIMQDLSUXFQG-QGZVFWFLSA-N	289.423	1.956	10	20	CDCD	
CCOC(=O)C1(C(=O)NCc2ccc(N)cc2)CC1	1263304051	QRGQBKMQGFHZMO-UHFFFAOYSA-N	262.309	1.228	10	20	CDCD	
Cc1ccc(C(=O)NCc2ccc(C(=O)O)o2)c(O)c1O	1600339831	CZFIEVVLBDIZKY-UHFFFAOYSA-N	291.259	1.627	10	20	CDCD	
O=C(c1cc(O)cs1)N1C2CCC1(C(=O)O)CC2	1602623072	VOMGKVLBGJMWRQ-UHFFFAOYSA-N	267.306	1.676	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)c1ccc(C(=O)O)nc1	1610697772	ZTZGDXKXHAZQGO-UHFFFAOYSA-N	288.259	1.121	10	20	CDCD	
N[C@@H]1[C@@H](C(=O)NCc2cccc(Cl)c2O)[C@H]2C=C[C@H]1C2	1574284909	ZZBLOOHWPJQNRC-VDUILEQBSA-N	292.766	1.811	10	20	CDCD	
CCN(CC)c1ccc(CNC[C@@](C)(O)C(=O)O)cc1	1589729001	YLUDRQKTTPZPTB-OAHLLOKOSA-N	280.368	1.458	10	20	CDCD	
O=C(NCc1cccc(O)c1O)c1ccc(C(=O)O)nc1	1594771272	LFXIIBPRNWXRCM-UHFFFAOYSA-N	288.259	1.121	10	20	CDCD	
CO[C@H]1CCN(Cc2ccc(C)cc2O)[C@@H](C(=O)O)C1	1599125051	YNBZPZATKURYBQ-QWHCGFSZSA-N	279.336	1.765	10	20	CDCD	
Oc1ccccc1CNC[C@@H]1CN2CCC[C@@H]2CO1	112839398	KTEQJBKGUKNEFB-ZIAGYGMSSA-N	262.353	1.345	10	20	CDCD	
Cn1cc(CNCc2ccc(Br)cc2O)nn1	701078478	QPRPKHHXALZBCV-UHFFFAOYSA-N	297.156	1.573	10	20	CDCD	
Cc1ccc(C(=O)N[C@H]2CCCC[C@@H]2C(N)=O)c(O)c1O	179536920	KGLZLTOPKFAVIS-ONGXEEELSA-N	292.335	1.180	10	20	CDCD	
CCO[C@@H]1C[C@H]1C(=O)NCc1cccc(OC)c1O	171487142	QWLFEIMBBAHBGQ-ZYHUDNBSSA-N	265.309	1.442	10	20	CDCD	
Cc1cccc(CN2CCC[C@H]2CN2CCOCC2)c1O	179802782	ZYWUGGLDKGVIFD-INIZCTEOSA-N	290.407	1.997	10	20	CDCD	
Cc1ccc(C(=O)NC2(C)CCOCC2)c(O)c1O	182893122	SSSYDRJXNRUOBN-UHFFFAOYSA-N	265.309	1.705	10	20	CDCD	
CCNS(=O)(=O)[C@H]1CCN(Cc2cc(C)ccc2O)C1	181564049	APPMSNDQBILNHS-ZDUSSCGKSA-N	298.408	1.214	10	20	CDCD	
CCN(C)C(=O)CCN(C)Cc1ccccc1O	153450584	YRENELOFFKBRLI-UHFFFAOYSA-N	250.342	1.692	10	20	CDCD	
COc1ccc(O)c([C@@H](C)N[C@H](C)CN2CCOCC2)c1	36933064	PBIGFZKVTDMASS-CHWSQXEVSA-N	294.395	1.772	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CC[C@@H](CO)C2)c1O	122844256	YAJWQQHLLKIKMC-SNVBAGLBSA-N	267.300	1.548	10	20	CDCD	
CNC(=O)CCNCc1cc(Cl)cc(OC)c1O	228672570	KJTYPUNAWUAJDX-UHFFFAOYSA-N	272.732	1.280	10	20	CDCD	
C[C@@H]1CN(CCN(C)Cc2ccccc2O)CCO1	191571859	AEFLCYMATBVCSW-CYBMUJFWSA-N	264.369	1.545	10	20	CDCD	
CCOc1cccc(CN2CCCN(C(C)=O)CC2)c1O	133283859	SXVKOFXPJQBBBI-UHFFFAOYSA-N	292.379	1.845	10	20	CDCD	
COCCN1CCN(Cc2cc(OC)ccc2O)CC1	179641328	WYIQPIGZNZOZFT-UHFFFAOYSA-N	280.368	1.165	10	20	CDCD	
CN(C)C(=O)CCCC(=O)N(C)Cc1ccccc1O	265391892	DCMKTCRSTJGYHD-UHFFFAOYSA-N	278.352	1.609	10	20	CDCD	
Cc1ccc(C(=O)N2CCCN3CCC[C@H]3C2)c(O)c1O	367988990	OVOUREBTJIPPTJ-LBPRGKRZSA-N	290.363	1.717	10	20	CDCD	
C[C@@H](NCc1ccc(N(C)C)c(F)c1)c1ncn(C)n1	275386883	AMFBCXQBVLMTOZ-SNVBAGLBSA-N	277.347	1.871	10	20	CDCD	
COc1cccc(CN2CC[C@H]3CCN(C)C[C@@H]32)c1O	272539161	BWNPYRFSHRAYFB-OCCSQVGLSA-N	276.380	1.927	10	20	CDCD	
COC(=O)[C@H]1CCCCN1C(=O)c1ccc(C)c(O)c1O	272771991	SKOGYMPIOFWWDS-LLVKDONJSA-N	293.319	1.574	10	20	CDCD	
C[C@H](NCCCN(C)C)c1cc([N+](=O)[O-])ccc1O	273442919	ZCAZDJLEMHYYOY-JTQLQIEISA-N	267.329	1.903	10	20	CDCD	
Oc1c(Br)cccc1CNCCN1CCC1	381499873	CGRBHJLRMIXGQF-UHFFFAOYSA-N	285.185	1.950	10	20	CDCD	
CC(=O)C(=O)COC(=O)c1nc(-c2ccccc2)oc1C	808484401	PJVGTFMFBJEOCT-UHFFFAOYSA-N	287.271	1.965	10	20	CDCD	
COc1cccc(CNC(=O)c2coc(C)n2)c1O	801613105	FXKUISSPYVCBKG-UHFFFAOYSA-N	262.265	1.627	10	20	CDCD	
COC[C@H](O)CN[C@H]1C[C@@H](C)c2c(F)ccc(O)c21	802310477	VYIXYZHNQVHVBZ-KKZNHRDASA-N	269.316	1.677	10	20	CDCD	
COCCOC[C@@H](O)CN(C)c1ccc(OC(C)C)cc1	296071921	RYKAITVPCUNGEU-HNNXBMFYSA-N	297.395	1.934	10	20	CDCD	
O=C1CN(Cc2ccc3ccccc3c2O)CCN1	816481337	RDPOQASJNZEUFE-UHFFFAOYSA-N	256.305	1.477	10	20	CDCD	
Cc1cc(O)c(CN2C[C@H](C)O[C@H](CO)C2)cc1Cl	825651420	IEZYJFVMLKVCPS-JQWIXIFHSA-N	285.771	1.936	10	20	CDCD	
CCCCN(Cc1ccccc1O)C(=O)CCC(N)=O	908045362	MKXGFEGOVJMMIO-UHFFFAOYSA-N	278.352	1.786	10	20	CDCD	
CCOc1ccc(N(C)CC(=O)N(C)CC)cc1	739923651	KOOJXQPVJHJHMV-UHFFFAOYSA-N	250.342	2.000	10	20	CDCD	
COc1ccc(N2CC[C@H](CN[C@@H](C)C(=O)O)C2)cc1	904250034	WQLZMQGOKWCDAV-NWDGAFQWSA-N	278.352	1.584	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@H](C)C[C@H](C)N)c1	831203778	ZROGDNPIQPIPCZ-AXFHLTTASA-N	295.383	1.887	10	20	CDCD	
CN[C@@H](C)C(=O)NCc1ccc(N2CCCC2)cc1	848409949	BNRYBCJSDUACGE-LBPRGKRZSA-N	261.369	1.511	10	20	CDCD	
Cc1cc(O)c(CNCCS(=O)(=O)C2CC2)cc1C	840965085	XKAFQAXDTWZTNI-UHFFFAOYSA-N	283.393	1.676	10	20	CDCD	
CC[C@@H](N)CNCc1ccc([N+](=O)[O-])c(OC)c1O	841071700	IXBIPKCNHROFRJ-SECBINFHSA-N	269.301	1.136	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)C1CCC(O)CC1	910946714	RXEHKWQDCAHVSH-UHFFFAOYSA-N	265.309	1.265	10	20	CDCD	
CN(Cc1cnn(C)c1)c1ccc(OCC(=O)O)cc1	846279637	IOZNEIYGKSXISI-UHFFFAOYSA-N	275.308	1.520	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1COC(=O)O1	759588327	KOSOXSHQSRVPJL-LXOKAJLYSA-N	280.232	1.190	10	20	CDCD	
CC(CO)(CO)CSc1ncc(Cl)s1	850000510	XPNSVPLXNHBWHS-UHFFFAOYSA-N	253.776	1.880	10	20	CDCD	
CCc1noc([C@@H](C)OC(=O)c2cccc(O)c2O)n1	758561790	MQCXIBPCVVWJBY-SSDOTTSWSA-N	278.264	1.961	10	20	CDCD	
CCOCCNC(=S)NCc1ccccc1O	751009507	WPONWJIEIANSHX-UHFFFAOYSA-N	254.355	1.393	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)NCC[C@H](C)N)c1	857112426	CWJPLHLHDLBPBR-VHSXEESVSA-N	281.356	1.498	10	20	CDCD	
CC1=NO[C@H](CNC(=O)c2ccc(C)c(O)c2O)C1	854800264	SFCPXBDUGSRXSV-VIFPVBQESA-N	264.281	1.301	10	20	CDCD	
CC[C@H](NC(C)=O)C(=O)NCc1cc(C)ccc1O	869410218	HQZLDELMJQIECQ-LBPRGKRZSA-N	264.325	1.232	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@](C)(O)CC	935947395	XBGWRCISFJRAJG-AWEZNQCLSA-N	272.341	1.655	10	20	CDCD	
C[C@@H](NC[C@@H](O)COC1CCOCC1)c1ccccc1O	879648302	JFKVURYSWUDBKK-CHWSQXEVSA-N	295.379	1.599	10	20	CDCD	
CC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2C)C(=O)C1	871953779	CBULWKGEPBOLOU-UHFFFAOYSA-N	261.237	1.585	10	20	CDCD	
CCOc1ccc(CN2CCN3C(=O)NC[C@@H]3C2)c(O)c1	770287128	SPRJLEMKRASPEI-GFCCVEGCSA-N	291.351	1.000	10	20	CDCD	
CCOc1nc(C(=O)NCc2cccc(OC)c2O)co1	773408050	NZRAJWCISGRRRB-UHFFFAOYSA-N	292.291	1.718	10	20	CDCD	
COC(=O)[C@H]1C[C@H](OC)CCN1Cc1ccc(C)cc1O	877165847	ROWLXCLNPJEOMP-ZIAGYGMSSA-N	293.363	1.853	10	20	CDCD	
CCS(=O)(=O)N[C@H](C)c1ccc(N(C)C)cc1	773084727	SIXODSSSYOTQOW-SNVBAGLBSA-N	256.371	1.753	10	20	CDCD	
COC(=O)CN(C)Cc1ccc(N2CCN(C)CC2)cc1	775650058	OOYUCGFRBFXVSF-UHFFFAOYSA-N	291.395	1.043	10	20	CDCD	
CCCN1CC(=O)N[C@H]1c1cc(F)cc(F)c1O	887329990	VGTURJFMISNLBU-GFCCVEGCSA-N	256.252	1.511	10	20	CDCD	
OC[C@@]12C[C@H]1CN(Cc1cccc(Br)c1O)C2	783735850	TZRQZFUATBMHES-GWCFXTLKSA-N	298.180	1.969	10	20	CDCD	
CO[C@H]1COCC[C@@H]1CNCc1cc(F)cc(F)c1O	883132988	LJXOZCXRWXTNLH-RNCFNFMXSA-N	287.306	1.812	10	20	CDCD	
CC[C@](C)(O)CNCc1cc(C)cc(OC)c1O	894164116	CUTXWLWIVPSALG-AWEZNQCLSA-N	253.342	1.960	10	20	CDCD	
CO[C@@H]1CN(Cc2cc(F)cc(F)c2O)CCO1	895962148	HLYUTOBUAJRYCQ-NSHDSACASA-N	259.252	1.475	10	20	CDCD	
COc1cc(C)cc(CN2CCN3CCOC[C@H]3C2)c1O	894455458	CLIZGPFSUABOLF-CQSZACIVSA-N	292.379	1.226	10	20	CDCD	
COc1cc(Cl)cc(CNC[C@@H]2COCO2)c1O	894879035	OWJHYWWQEDPCEB-SNVBAGLBSA-N	273.716	1.517	10	20	CDCD	
COc1ccc(CNC(=O)[C@@H]2CCO[C@H]2C)c(O)c1	794372584	BBHKNYSSEKINIS-JOYOIKCWSA-N	265.309	1.442	10	20	CDCD	
C[C@@H]1C(=O)CC[C@@H]1CC(=O)NCCc1ccc(O)c(O)c1	793679060	BXYPYHUMISYAMN-CMPLNLGQSA-N	291.347	1.762	10	20	CDCD	
COc1ccc(CNC(=O)NCc2ncoc2C)c(O)c1	793031462	IPIJTWIAGLXYKY-UHFFFAOYSA-N	291.307	1.697	10	20	CDCD	
CN(Cc1nnc2ccccn12)C(=O)c1cccc(O)c1O	790612933	CMLOYTPGINYDKR-UHFFFAOYSA-N	298.302	1.413	10	20	CDCD	
COc1cc(C)cc(CNCc2nc(N(C)C)no2)c1O	1331550961	XUDABMLILUSDCQ-UHFFFAOYSA-N	292.339	1.448	10	20	CDCD	
CCn1[nH]cnc1=NCc1ccc(N2CCCC2)cc1	1337665588	SNOKEIJFBRTTKN-UHFFFAOYSA-N	271.368	1.932	10	20	CDCD	
CC[C@H](C)N1CCN(C(=O)NCc2ccc(N)cc2)CC1	1262603859	XLXMNMQVMJZWCW-ZDUSSCGKSA-N	290.411	1.895	10	20	CDCD	
C[C@@H](NCC1CC1)c1cccc(-c2nn[nH]n2)c1O	1589974987	DPPVNOOPVKYDSM-MRVPVSSYSA-N	259.313	1.633	10	20	CDCD	
CN(C)c1ccc(CN2CCCNC[C@H]2C(=O)O)cc1F	1598317708	KGCQAWBQUHIAJJ-AWEZNQCLSA-N	295.358	1.140	10	20	CDCD	
Cc1ccc([C@@H](C)NCCOCC(=O)O)c(O)c1C	1594349494	JPMFYZGHWWZRDG-LLVKDONJSA-N	267.325	1.761	10	20	CDCD	
CC(C)(C)c1cnc(SCC(=O)NC(N)=O)s1	164333515	SOEDTDLIMYOHNW-UHFFFAOYSA-N	273.383	1.728	10	20	CDCD	
COC(=O)C[C@@H]1CN(Cc2cc(C)cc(C)c2O)CCO1	164462301	MPZXEJVBBBWVHZ-CQSZACIVSA-N	293.363	1.773	10	20	CDCD	
NC(=O)C1(NCc2ccc(Br)cc2O)CC1	825500731	HIWCNVSXZBGWIW-UHFFFAOYSA-N	285.141	1.262	10	20	CDCD	
COc1cccc(O)c1CN1CC[C@@H]2NCC[C@@H]2C1	843127749	SXXMIESPAOAYDT-YPMHNXCESA-N	262.353	1.585	10	20	CDCD	
CC(C)C(=O)NCCN[C@H](C)c1ccc(F)cc1O	62745021	HIGVWWYQGKEYOG-SNVBAGLBSA-N	268.332	1.954	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(OC)OC	692586888	CHDGRNGFNBFJID-UHFFFAOYSA-N	280.368	1.720	10	20	CDCD	
Cc1cccc(CNCCCCS(C)(=O)=O)c1O	692801585	APXYQIOBPSGPRR-UHFFFAOYSA-N	271.382	1.615	10	20	CDCD	
Oc1c(F)cc(Br)cc1CN[C@@H]1CC[C@H]1O	883150473	JDIXTCBHRBOAPP-NXEZZACHSA-N	290.132	1.907	10	20	CDCD	
C[C@H](N[C@@H]1CC(=O)N(C2CC2)C1)c1ccccc1O	183614240	AEZPWROXGRCVSV-WDEREUQCSA-N	260.337	1.806	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)CN(C)C(C)=O)cc1	79391405	CJUAZOVKYWCVDK-UHFFFAOYSA-N	291.395	1.627	10	20	CDCD	
Oc1c(Cl)cccc1CN1CCn2cnnc2C1	124594881	DXACMLPVRQLQLW-UHFFFAOYSA-N	264.716	1.653	10	20	CDCD	
Oc1ccc(F)cc1CN1CCN(C[C@@H]2CCCO2)CC1	139745250	OXZUTWPIUXUTEE-HNNXBMFYSA-N	294.370	1.828	10	20	CDCD	
COCCN(Cc1cc(C)ccc1O)[C@@H](C)C(N)=O	93139188	DZNVPIUPHKMUGT-NSHDSACASA-N	266.341	1.023	10	20	CDCD	
C[C@@]1(CO)CN(Cc2cc(Cl)ccc2O)C[C@]1(C)CO	529668955	QQSAVJZXAONNOB-GASCZTMLSA-N	299.798	1.858	10	20	CDCD	
Cc1c(CNC(=O)CNC(=O)C2CC2)n(C)c2ccccc12	526935327	GYJUJQBJINFPBT-UHFFFAOYSA-N	299.374	1.629	10	20	CDCD	
CC(=O)N1CC[C@@](C)(C(=O)NCCc2ccc(N)cc2)C1	371283546	LDSWAEMLKGOMGF-MRXNPFEDSA-N	289.379	1.186	10	20	CDCD	
CCO[C@@H]1C[C@H](NCc2cccc(OC)c2O)[C@H]1OC	274992696	ZFZFKYCWQINEGY-NJZAAPMLSA-N	281.352	1.683	10	20	CDCD	
CC(=O)C(=O)Cn1cc(C)cc(Br)c1=O	289606816	KPMZRDFFOZGRDV-UHFFFAOYSA-N	272.098	1.077	10	20	CDCD	
CC(=O)C(=O)CSc1nc2sccc2c(=O)n1C	288024715	AEBALMMKRIUKLT-UHFFFAOYSA-N	282.346	1.245	10	20	CDCD	
COc1ccc(N(C)CCN2CCNC2=O)cc1F	290338681	PHDMGGCGMAZCNM-UHFFFAOYSA-N	267.304	1.296	10	20	CDCD	
COC[C@@]1(C)CCN(C(=O)c2ccc(C)c(O)c2O)C1	296356424	FIGASQNEKHBLHY-HNNXBMFYSA-N	279.336	1.905	10	20	CDCD	
COC(=O)c1cnc(SCCCC(=O)N(C)C)s1	294930938	CYFJOFQTQPQXMY-UHFFFAOYSA-N	288.394	1.890	10	20	CDCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2N[C@@H]1COCC[C@H]1O	710860554	LMRRBRQHJDERLM-WUHRBBMRSA-N	277.364	1.988	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CCC(=O)NC2)c1	728983300	XLKZWGDJPTUZKR-NXEZZACHSA-N	292.335	1.104	10	20	CDCD	
CCOc1ccc(O)c(CN(C)C2(CO)CC2)c1	827904265	YHIBRVXJIOWJIS-UHFFFAOYSA-N	251.326	1.748	10	20	CDCD	
C[C@H](NC(=O)[C@H]1CCN1)c1ccc(N2CCOCC2)cc1	827725651	JOYOWBXWXASZJP-SWLSCSKDSA-N	289.379	1.062	10	20	CDCD	
Cc1nc(CC(=O)NCc2ccc(N(C)C)c(F)c2)n[nH]1	824669467	MGDSTJIKPCWSPJ-UHFFFAOYSA-N	291.330	1.177	10	20	CDCD	
C[C@@H](NC(=O)CCN1CCOCC1)c1ccccc1O	827930610	MRRBGDNZPAMVNZ-GFCCVEGCSA-N	278.352	1.292	10	20	CDCD	
COc1cccc(O)c1CNCCc1nnc2ccccn12	731448314	BWCGRVPZLQYZLV-UHFFFAOYSA-N	298.346	1.776	10	20	CDCD	
CO[C@H]1COCC[C@H]1CNCc1cc([N+](=O)[O-])ccc1O	824709010	MBCZONLIVAJJSV-HZMBPMFUSA-N	296.323	1.442	10	20	CDCD	
CCOc1ccc(O)c(CN(CC)CC(=O)O)c1	833663532	WKLFIPGOWQJSIH-UHFFFAOYSA-N	253.298	1.697	10	20	CDCD	
COc1ccc(CNC(=O)[C@H]2CCCC[C@@]2(C)N)c(O)c1	832178880	YSXBOOQKIZZABT-CZUORRHYSA-N	292.379	1.925	10	20	CDCD	
CC[C@H](O)[C@H](C)C(=O)NCc1ccc(O)c(O)c1	901130618	DORVROBXHYXFOS-WPRPVWTQSA-N	253.298	1.121	10	20	CDCD	
CCc1nncn1CCN[C@@H]1CCc2cccc(O)c21	834606191	FSCDAXAIUABMME-GFCCVEGCSA-N	272.352	1.823	10	20	CDCD	
C[C@H](N[C@@H]1CCc2cccc(O)c21)[C@@H]1CN(C)CCO1	834685491	XNCVODUOSDWKDC-LNSITVRQSA-N	276.380	1.688	10	20	CDCD	
COc1ccc(CNC(=O)[C@@H]2CCN(C)[C@@H]2C)c(O)c1	831037798	CQNGTMPQPLTNCS-ZWNOBZJWSA-N	278.352	1.357	10	20	CDCD	
Nc1ccc(NC(=O)Cn2nnc3c2CCCC3)cc1	911659809	DUXSEHWUVFXQQK-UHFFFAOYSA-N	271.324	1.378	10	20	CDCD	
CCN(C)c1ccc(CN2CC[C@@](CO)(COC)C2)cc1	832399920	HMIKQDIBDWUASZ-QGZVFWFLSA-N	292.423	1.974	10	20	CDCD	
CC1(C)C[C@@H]1CNC(=O)C(=O)Nc1ccc(N)cc1	841035163	IRDPGKJGPROZIY-SECBINFHSA-N	261.325	1.370	10	20	CDCD	
CCOc1ccc(CN2CCC[C@H](CN)C2)c(O)c1	843047876	ZSUCTHKZZMTIOS-GFCCVEGCSA-N	264.369	1.962	10	20	CDCD	
Nc1ccc(CCNC(=O)NC[C@@H](O)C2CCC2)cc1	841955536	GBCUTHNWBHAFNY-CQSZACIVSA-N	277.368	1.272	10	20	CDCD	
CCc1cccc(CN[C@H]2CCc3nnnn3CC2)c1O	848918252	UHEAOYIOKGBWNX-ZDUSSCGKSA-N	287.367	1.436	10	20	CDCD	
CO[C@@]1(C)C[C@H]1NCc1cc([N+](=O)[O-])ccc1O	850409445	UUZQZAYGGNTCST-NEPJUHHUSA-N	252.270	1.567	10	20	CDCD	
NC(=O)c1ccc(CC(=O)NCc2ccccc2O)cc1	754210322	XRBDDMIERPCUAZ-UHFFFAOYSA-N	284.315	1.350	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)NC[C@H]2CCN2C)c1	925410300	ZPLDNIOKEGCFBJ-WDEREUQCSA-N	293.367	1.465	10	20	CDCD	
CC[C@@H](CCO)N[C@H](C)c1cc(C(=O)OC)ccc1O	756604265	MLEGRBCZAMLGSD-PWSUYJOCSA-N	281.352	1.990	10	20	CDCD	
C[C@H](Oc1ccccn1)C(=O)NCc1ccccc1O	857472507	VPLNYIXPZKUIJO-NSHDSACASA-N	272.304	1.871	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)Cc2cn(C)nc2C)c1	862755191	PGFGMLDHYQRNNR-UHFFFAOYSA-N	273.336	1.601	10	20	CDCD	
CCS(=O)(=O)CCNCc1cc(Cl)ccc1O	69172824	PWVNWPSABVLFFR-UHFFFAOYSA-N	277.773	1.570	10	20	CDCD	
Cc1ccc(C(=O)NCC(=O)C2CCCC2)c(O)c1O	863057806	FRTSNYMHGPTRSJ-UHFFFAOYSA-N	277.320	1.895	10	20	CDCD	
COc1cccc([C@@H](C)N[C@@H]2COCC[C@H]2O)c1O	866497478	MQJWLDOQYLCCQI-YUSALJHKSA-N	267.325	1.201	10	20	CDCD	
C[C@@H]1C(=O)NCCN1Cc1cc(F)c(N(C)C)cc1F	862237019	UPPJKSRCZYNIGC-SECBINFHSA-N	283.322	1.351	10	20	CDCD	
CCOC(=O)C1=NN(c2cccc(F)c2)C(=O)[C@@H]1C	871946817	IRCYKLLYGWKITI-MRVPVSSYSA-N	264.256	1.728	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)COCc2ccnn2C)c1	862755961	NVPVIIWXBPITOT-UHFFFAOYSA-N	289.335	1.267	10	20	CDCD	
O=C(NCc1ccccc1O)[C@@H]1CCCN(CC(F)F)C1	866754658	BTYCGXWYOMAUMO-GFCCVEGCSA-N	298.333	1.986	10	20	CDCD	
COC/C=C/C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	867302046	JCAHMVYJLCSUSZ-HMDXOVGESA-N	265.309	1.348	10	20	CDCD	
O=C(N[C@H]1CCCc2c[nH]nc21)c1cc(O)cs1	768289691	DMKCKVQMPNFXHE-VIFPVBQESA-N	263.322	1.984	10	20	CDCD	
CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)NCc1ccccc1O	765782299	NINKJBFHZAVWDF-NEPJUHHUSA-N	291.351	1.106	10	20	CDCD	
Oc1cc2c(cc1CN1C3CCC1CC3)[C@H](O)CO2	768442440	WEZKPFUVWUHCOY-QIMFLAQGSA-N	261.321	1.945	10	20	CDCD	
Cc1nccn1CCNC(=O)/C=C/c1ccc(O)c(O)c1	779511242	RXCSNPQDLOZNTO-HWKANZROSA-N	287.319	1.432	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN[C@@]1(CO)CCOC1	1118012533	OKCBCOBKVJWFPB-OAHLLOKOSA-N	264.369	1.302	10	20	CDCD	
COC(=O)[C@@H]1CN(Cc2c(C)cccc2O)C[C@H](C)O1	877612958	ZLHFIOLZBUFDTA-FZMZJTMJSA-N	279.336	1.463	10	20	CDCD	
CC(C)NC(=O)CCCC(=O)NCc1ccc(O)c(O)c1	778919384	CBADUASGMATRGX-UHFFFAOYSA-N	294.351	1.409	10	20	CDCD	
CC[C@@H]1COCCN1Cc1ccc([N+](=O)[O-])c(OC)c1O	774839983	IBZCZPPRNNDWOU-LLVKDONJSA-N	296.323	1.920	10	20	CDCD	
CCN1C[C@H](CNCc2ccc(C)cc2O)CC1=O	877613248	BVHLAVWINBRVLQ-LBPRGKRZSA-N	262.353	1.659	10	20	CDCD	
CCCn1cc(CNCc2ccc(OC)cc2O)nn1	877493559	LTUNKUWGJXVPCS-UHFFFAOYSA-N	276.340	1.692	10	20	CDCD	
C[C@@H]1CN(C(=O)NCc2ccc(N)cc2)CC[C@@H]1N	1120677329	NRKOXJHIJNJAIZ-MFKMUULPSA-N	262.357	1.148	10	20	CDCD	
CO[C@@]1(CN[C@@H](C)c2c(O)cccc2F)CCOC1	886590134	OLTSWVNONKYMHC-IINYFYTJSA-N	269.316	1.987	10	20	CDCD	
COc1ccc(CN2CC[C@@](F)(CO)C2)c(O)c1OC	894282261	ZLTLGQHBVBKQSR-AWEZNQCLSA-N	285.315	1.316	10	20	CDCD	
C[C@@H]1OCC[C@]1(C)NCc1cc([N+](=O)[O-])ccc1O	784639421	ICLRCSJYJCHJKS-ZANVPECISA-N	266.297	1.958	10	20	CDCD	
COc1ccc2c(c1)CCCN2CC(=O)N1CCOCC1	796301087	TVHWYAUPJSBXRJ-UHFFFAOYSA-N	290.363	1.307	10	20	CDCD	
COc1cc(C)cc(CNC[C@H]2C[C@H](O)C2)c1O	895471966	DAGXEBSDYIQCMF-UMSPYCQHSA-N	251.326	1.570	10	20	CDCD	
CCOc1ccc(CN(CC)[C@@H]2CCNC2=O)c(O)c1	799737393	CXSPTUWDMFUAIU-CYBMUJFWSA-N	278.352	1.501	10	20	CDCD	
CCCN(Cc1ccc(N)cc1)[C@@H]1CC(=O)N(C)C1=O	1345160683	XRZDVIJSAODHHO-CYBMUJFWSA-N	275.352	1.238	10	20	CDCD	
CC[C@H](NC[C@]1(O)CCOC1)c1ccccc1O	186299839	MRFQEZFFZWZTEZ-GXTWGEPZSA-N	251.326	1.584	10	20	CDCD	
CN[C@@H](C)CCNC(=O)NCc1ccc(OC)cc1O	1326134572	ZDVDXRYBGKINEP-JTQLQIEISA-N	281.356	1.198	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@@H](C)n2ccnc2)c1	1335332473	VHSPQCJRTSBEGS-LLVKDONJSA-N	259.309	1.775	10	20	CDCD	
C/C=C\C[C@@H](CO)NC(=O)NCc1ccc(N)cc1	1337019293	RIXCJXAFULOUES-ZRMMWKCHSA-N	263.341	1.395	10	20	CDCD	
CC(C)c1ncncc1C(=O)NCc1cccc(O)c1O	1263894712	RYYGGZOQJPUVDV-UHFFFAOYSA-N	287.319	1.941	10	20	CDCD	
C[C@@H]1C[C@H](C(=O)N2Cc3cccc(O)c3C2)O[C@H]1C(=O)O	1607441680	RBKQWARZEZNQQX-BZHVJNSISA-N	291.303	1.113	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1CCC[C@@H](O)[C@@H]1C(=O)O	1607667501	KYKWTQIHCOYDFT-HUUCEWRRSA-N	292.379	1.471	10	20	CDCD	
CCO[C@@H]1CN(Cc2ccc(F)c(F)c2O)C[C@H]1CN	1578157444	FPAZLKXCKJMIEM-ZYHUDNBSSA-N	286.322	1.466	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN(C)CCCC(=O)O)c1O	1594048466	OWZISFDDPYSVKC-UHFFFAOYSA-N	298.295	1.606	10	20	CDCD	
C[C@@H](CNCc1ccc(N2CC[C@H](O)C2)cc1)CC(=O)O	1776425358	QFFPJIMAQHAWDF-DOMZBBRYSA-N	292.379	1.458	10	20	CDCD	
CO[C@H]1C[C@](NCc2cc(F)cc(F)c2O)(C(=O)O)C1	1777248716	CGRFPXHRLPFBSV-SWZMTVOYSA-N	287.262	1.392	10	20	CDCD	
CCN(C)c1ccc(CN[C@H](CCO)C(=O)O)c(C)c1	1776856239	XKPKNGJIRAKJQE-CQSZACIVSA-N	280.368	1.376	10	20	CDCD	
Nc1ccc(NC(=O)N2CC[C@H]3NC(=O)CC[C@H]3C2)cc1	160425272	JXRDJZUNWIVFKB-GXFFZTMASA-N	288.351	1.401	10	20	CDCD	
CC(=O)N1CC[C@@H](NCc2ccc(N(C)C)c(F)c2)C1	152955355	MOZBNLFOWBELAZ-CYBMUJFWSA-N	279.359	1.602	10	20	CDCD	
CO[C@H]1CCN(Cc2cc3c(cc2O)OCO3)C[C@H]1C	824815658	WABLXNQKVJMWJI-MFKMUULPSA-N	279.336	1.978	10	20	CDCD	
CC[C@@H](NCc1c(O)cccc1OC)C(=O)NC	825316141	KRDUNJQIXNQLMC-SNVBAGLBSA-N	252.314	1.015	10	20	CDCD	
CCS(=O)(=O)CCN[C@H](C)c1ccc(N(C)C)cc1	163484282	FUAFBOWXKLPZRV-GFCCVEGCSA-N	284.425	1.838	10	20	CDCD	
CC[C@@H]1CN(C(=O)c2cccc(O)c2O)[C@@H](C)CO1	403828486	AGAORSDLGHRMAV-VHSXEESVSA-N	265.309	1.737	10	20	CDCD	
Cc1nnc(O)c(C(=O)NCc2ccccc2O)c1C	706251235	ZTCOSWJQPNBXOH-UHFFFAOYSA-N	273.292	1.435	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CN2CCCC2)cc1	7340291	UJLLUQGCZIYYCG-UHFFFAOYSA-N	261.369	1.465	10	20	CDCD	
C[C@H](NCCO)c1cc(Br)c(F)cc1O	134910898	OZJIMROMSYFFRQ-LURJTMIESA-N	278.121	1.937	10	20	CDCD	
CN(C)CC(=O)NCc1c(O)ccc2c1CCCC2	174513747	OYZOKCMNGNSOSL-UHFFFAOYSA-N	262.353	1.449	10	20	CDCD	
NC(=O)[C@H]1CCCCN1Cc1cccc(Cl)c1O	179581780	PSFPTDMOPPFRJL-LLVKDONJSA-N	268.744	1.885	10	20	CDCD	
CCOc1cccc(CN(C)CC(=O)NC2CC2)c1O	120335914	HNVAECVRQWTKAQ-UHFFFAOYSA-N	278.352	1.501	10	20	CDCD	
CCOc1cccc(CN[C@@H](C)CN2CCCC2=O)c1O	37782216	LVEUYSGDGCNBOX-LBPRGKRZSA-N	292.379	1.891	10	20	CDCD	
CCN(CC)CCNC(=O)c1cccc(O)c1O	126219368	DUOQLFKTXXHQSK-UHFFFAOYSA-N	252.314	1.169	10	20	CDCD	
CCCNC(=O)CCNC(=O)/C=C/c1ccc(O)c(O)c1	180689054	UUQPVJWJDNDYKY-GQCTYLIASA-N	292.335	1.144	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NN1CCCCC1	181265770	ASRXFDUQGQHWNM-FNORWQNLSA-N	262.309	1.628	10	20	CDCD	
COc1cccc(CN(C)C[C@@H]2CCN(C(C)=O)C2)c1O	92101333	GHNVIBXVASYZTH-ZDUSSCGKSA-N	292.379	1.701	10	20	CDCD	
CCOc1ccc(O)c(CNC[C@@H](O)C2CC2)c1	265289647	ZAWRDGVGWQGWHQ-CQSZACIVSA-N	251.326	1.651	10	20	CDCD	
CCN(Cc1ncnn1C)c1ccc(OC)c(OC)c1	267424618	XEKIIKBNAPJDJT-UHFFFAOYSA-N	276.340	1.859	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1cncs1	276241120	ODVJWSPWVMYTFH-SECBINFHSA-N	292.360	1.844	10	20	CDCD	
CCN(C)C(=O)[C@H](C)N[C@@H](C)c1cc([N+](=O)[O-])ccc1O	276698381	VLCVFWWEPMFIGB-UWVGGRQHSA-N	295.339	1.818	10	20	CDCD	
CN(C[C@H]1CCOC1)C(=O)/C=C/c1ccc(O)c(O)c1	272635794	LAVXNWXQICUKHW-OGOUPESXSA-N	277.320	1.606	10	20	CDCD	
CC[C@@](C)(NC(=O)c1ccc(C)c(O)c1O)C(=O)OC	272740400	IIVPBUNIIFVNTE-CQSZACIVSA-N	281.308	1.478	10	20	CDCD	
COc1cccc(CNC(=O)[C@H](OC)C2CC2)c1O	281676760	UIANIGUBIFCBMS-CYBMUJFWSA-N	265.309	1.442	10	20	CDCD	
C[C@@H]1CN(Cc2cc(F)ccc2O)C[C@]2(CCOC2)O1	280241840	KOHNFGLNHMOOSU-ABAIWWIYSA-N	281.327	1.911	10	20	CDCD	
OC[C@H](CNCc1ccccc1O)[C@@H]1CCOC1	280365648	UHGUOKXJYIKVFY-OLZOCXBDSA-N	251.326	1.127	10	20	CDCD	
COc1ccc(N(C)C[C@@H](O)CN(C)C2CC2)cc1OC	809936759	OTGGLJRAGKJUAJ-AWEZNQCLSA-N	294.395	1.595	10	20	CDCD	
COc1cc(Cl)cc(CN2CC(CC(N)=O)C2)c1O	297397847	LDVJAQCWVCGTLI-UHFFFAOYSA-N	284.743	1.361	10	20	CDCD	
Cc1ccc(C(=O)NC[C@@]2(O)CCC[C@H]2C)c(O)c1O	294324073	PMKBVEPERFGZEB-BMIGLBTASA-N	279.336	1.687	10	20	CDCD	
CCOc1ccc(CN2CC[C@H](NC(C)=O)C2)c(O)c1	817412142	DTOWEBICBNDVSZ-ZDUSSCGKSA-N	278.352	1.501	10	20	CDCD	
NC(=O)[C@@H]1CCN(Cc2ccc3ccccc3c2O)C1	816480731	VDBWQXQWYGUYAT-CYBMUJFWSA-N	270.332	1.853	10	20	CDCD	
COc1ccc(CNC(=O)CC2(CN)CC2)c(O)c1	818000728	URPSCZDYRRBXOQ-UHFFFAOYSA-N	264.325	1.146	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC[C@@H](N)C2CC2)c1	817965773	VBYFWBHJQCGXLN-TVQRCGJNSA-N	250.342	1.789	10	20	CDCD	
NC(=O)CC1(CNCc2c(O)cccc2Cl)CC1	817411089	MRZDUTXBMZVYAR-UHFFFAOYSA-N	268.744	1.791	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)NC[C@H](N)C(C)C)c1	817958408	JMQJQNYXACZMDN-MFKMUULPSA-N	280.368	1.813	10	20	CDCD	
C[C@@H](NCc1ccc(N2CCCC2)cc1)C1CNC1	817898127	DDLDFFXEZQEPIS-CYBMUJFWSA-N	259.397	1.984	10	20	CDCD	
NC(=O)CN1C(=O)/C(=C/c2cccc(F)c2)SC1=S	727177154	WVWYTILXAKOUHN-UITAMQMPSA-N	296.348	1.512	10	20	CDCD	
C/C(=C/C(=O)N1CCCc2ccnc(O)c21)c1cnccn1	823804511	QJSWJTCQGOLQMT-LUAWRHEFSA-N	296.330	1.960	10	20	CDCD	
CC(C)(C)[S@@](=O)CCNC(=O)c1cc(O)cs1	732830416	IZGBVPFHQXHZHW-KRWDZBQOSA-N	275.395	1.731	10	20	CDCD	
CCN(CC)C(=O)CCCC(=O)NCc1ccc(N)cc1	837302981	OXJMYRLKRKOMDG-UHFFFAOYSA-N	291.395	1.924	10	20	CDCD	
Cn1cncc1CCOC(=O)c1cc(O)cs1	837515389	SFPOHGMNOOHRLB-UHFFFAOYSA-N	252.295	1.587	10	20	CDCD	
O=C(O)C[C@H]1CCCN1C(=O)c1cc(O)cs1	833212377	XHJRIBIUYXJGSF-SSDOTTSWSA-N	255.295	1.533	10	20	CDCD	
COC(=O)CN(C(=O)/C=C/c1cnn(C)c1)c1ccccc1	736034752	KMKJQCZZLIFACQ-CMDGGOBGSA-N	299.330	1.640	10	20	CDCD	
C[C@@H]1CN(CCNCc2c(O)cccc2Cl)CCO1	733328201	KSNNRPMPYOAMCJ-LLVKDONJSA-N	284.787	1.856	10	20	CDCD	
CCc1nc(COC(=O)c2ccc(C)c(O)c2O)no1	733475646	FRNRIUIBKGLECC-UHFFFAOYSA-N	278.264	1.709	10	20	CDCD	
COc1ccc(N2CCC(N[C@H]3CCNC3)CC2)cc1	841045219	PMIFJOPQKFJRQJ-AWEZNQCLSA-N	275.396	1.616	10	20	CDCD	
CC[C@H](N)CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1	841882194	XKIPHRQMZBVGRE-YPMHNXCESA-N	278.400	1.850	10	20	CDCD	
Nc1ccc(NC(=O)N2CC(=O)N[C@H]3CCCC[C@@H]32)cc1	841298202	NPNJAEDEKIGYKM-STQMWFEESA-N	288.351	1.544	10	20	CDCD	
C[C@@H]1[C@H](CO)CCCN1C(=O)c1cccc(O)c1O	840558816	KOAVYZIUCNSHQI-ZJUUUORDSA-N	265.309	1.331	10	20	CDCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)N1C(=O)N[C@H](C)C1=O	842265193	QCAUCPCXYWMBLW-VXGBXAGGSA-N	289.379	1.932	10	20	CDCD	
C[C@@H](NS(=O)(=O)N1CCCCC1)c1ccccc1O	867834991	YQBMSEULPRUJMS-LLVKDONJSA-N	284.381	1.774	10	20	CDCD	
COc1ccc(O)c(CN2CCC[C@@H](CO)[C@@H]2C)c1	840977852	KLSNYKGFOHXXBF-RYUDHWBXSA-N	265.353	1.994	10	20	CDCD	
Nc1ccc(-n2cc(CCCCCCO)nn2)cc1	849134280	BLXFLPHCXBGGTC-UHFFFAOYSA-N	260.341	1.945	10	20	CDCD	
CCO/C=C\C(=O)NCc1ccc(OC)cc1O	848022896	HJOUTZVLYVDXGF-SREVYHEPSA-N	251.282	1.567	10	20	CDCD	
COCCCCN(C)C(=O)c1ccc(C)c(O)c1O	841468207	NBZHYOKNMZRUHZ-UHFFFAOYSA-N	267.325	1.905	10	20	CDCD	
O=C(N[C@H]1CCn2cncc2C1)c1cccc(O)c1O	857947135	LETRIXSJHMLLTB-VIFPVBQESA-N	273.292	1.039	10	20	CDCD	
C[C@@H]1CCN(C(=O)c2cc(O)cs2)C[C@@H]1CO	857365031	MWEXHRUPXNZBOM-RKDXNWHRSA-N	255.339	1.544	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1COCO1	923859184	KFEGZXQDBWSYCT-AWEZNQCLSA-N	293.367	1.267	10	20	CDCD	
CCC(F)(F)C(=O)NC[C@H](N)c1ccc(N(C)C)cc1	852791610	KOVRZGZXLFERPA-LBPRGKRZSA-N	285.338	1.914	10	20	CDCD	
COc1ccc(N(C)CCN(C)C(=O)[C@H](O)C2CC2)cc1	855020378	OGPIEODKWHLOPU-OAHLLOKOSA-N	292.379	1.361	10	20	CDCD	
C[C@@H]1C[C@H](N[C@@H]2CC(=O)N(C)C2)c2c(O)ccc(F)c21	756524599	HOPRLCIFOBKOBH-KKZNHRDASA-N	278.327	1.900	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)c2cnc(O)n2C)c1	866765654	YFFCWWHGIRIZEB-QMMMGPOBSA-N	291.307	1.331	10	20	CDCD	
CN(C)C[C@H]1CCN(Cc2cc3c(cc2O)OC[C@@H]3O)C1	768448665	WDCNPTTUZIFLJZ-ABAIWWIYSA-N	292.379	1.202	10	20	CDCD	
O=C(NC[C@@H](CO)Cc1ccco1)c1cc(O)cs1	761122758	WYOZOIGCXDXGDA-VIFPVBQESA-N	281.333	1.628	10	20	CDCD	
CCOC(=O)C1=NN(c2ccc(C)cc2)C(=O)[C@H]1C	871940190	DVVRIVAVWRBVGH-JTQLQIEISA-N	260.293	1.897	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@@H](C)Cc2cnc[nH]2)c1	862755008	NBUCCSNXUJJTSE-NSHDSACASA-N	273.336	1.919	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@]2(O)CCSC2)c1	765863020	GHFNKFNPNRVKPU-OTYXRUKQSA-N	297.376	1.446	10	20	CDCD	
CCc1c(C(=O)N(C)c2ccc(N)cc2)cnn1C	877077971	XIIJOFXQLXDORO-UHFFFAOYSA-N	258.325	1.841	10	20	CDCD	
COC[C@]1(C(=O)O)CCN(Cc2cccc(C)c2O)C1	874042346	CQKUWUDYJZVBIP-HNNXBMFYSA-N	279.336	1.624	10	20	CDCD	
CCOc1ccc(CN2C[C@H](CO)OC[C@H]2C)c(O)c1	770350137	FLVGEYUSMQTZIK-BXUZGUMPSA-N	281.352	1.373	10	20	CDCD	
Cn1cc(CN2CCN(Cc3ccccc3O)CC2)cn1	779007301	BZEHCWXOGMZYDI-UHFFFAOYSA-N	286.379	1.444	10	20	CDCD	
CCOC(=O)C1=NN(c2cc(F)cc(OC)c2)C(=O)[C@H]1C	871959477	SMWYVXQJTPJTCM-QMMMGPOBSA-N	294.282	1.736	10	20	CDCD	
COC(=O)C[C@@]1(NCc2cccc(C)c2O)CCCOC1	770674791	MKEGMEQYFZGLCR-INIZCTEOSA-N	293.363	1.903	10	20	CDCD	
Cc1cccc(O)c1CNCCN1CCO[C@@H](C)C1	877021935	WUXGREKWVFAEPN-ZDUSSCGKSA-N	264.369	1.511	10	20	CDCD	
C[C@H](NCC(=O)NCC(F)F)c1c(O)cccc1F	886604746	BSKWZPSMHUXZHT-ZETCQYMHSA-N	276.258	1.563	10	20	CDCD	
CC(C)C[C@H]1CN(C)CCN1C(=O)c1cccc(O)c1O	886598347	YGDLINWAJQQTNO-LBPRGKRZSA-N	292.379	1.900	10	20	CDCD	
COC(=O)C[C@@H]1CCCN1C(=O)NCc1ccc(N)cc1	1120677374	OZBDIBKMNIRJDO-ZDUSSCGKSA-N	291.351	1.506	10	20	CDCD	
Cc1nnc(CNC(=O)NCc2ccccc2O)s1	780046483	DQTAONCYZIGNLH-UHFFFAOYSA-N	278.337	1.552	10	20	CDCD	
CCOc1ccc(CN(CCO)CC(F)F)c(O)c1	793307513	OXFGBDXWULDGAO-UHFFFAOYSA-N	275.295	1.850	10	20	CDCD	
CC[C@H](NC(=O)c1cccc(O)c1O)[C@@H](O)C(F)(F)F	790912235	QJAZIEXGQMQQDH-OIBJUYFYSA-N	293.241	1.529	10	20	CDCD	
CSCC[C@@H](N)C(=O)N[C@H](C)c1ccccc1O	870987676	AEKVDGXQRAXPGR-MWLCHTKSSA-N	268.382	1.650	10	20	CDCD	
COc1ccc(O)c(CNC[C@@H](O)C(F)(F)F)c1	224554267	QWUJFWOYJVCTTI-SNVBAGLBSA-N	265.231	1.414	10	20	CDCD	
CC[C@@H](C)[C@@H](O)CNC(=O)c1cccc(O)c1O	185855221	LHPIZKHRAALBJK-KCJUWKMLSA-N	253.298	1.235	10	20	CDCD	
O=C(CNCc1cc(F)cc(F)c1O)NCC1CC1	708556968	ZZLCHIQWKJMHAR-UHFFFAOYSA-N	270.279	1.286	10	20	CDCD	
Cc1ccc(O)c([C@H](C)NC[C@@H](O)CN(C)C)c1	717354928	RNCIQEAZWWPKFZ-NWDGAFQWSA-N	252.358	1.274	10	20	CDCD	
CC[C@H](C)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	765979153	IXVMSUIKINEGAO-ZDUSSCGKSA-N	296.436	1.810	10	20	CDCD	
CSCC[C@H](N)CC(=O)N(C)Cc1ccccc1O	1339973594	DVOVAYGYIQGEOL-LBPRGKRZSA-N	282.409	1.821	10	20	CDCD	
COc1cccc(O)c1CN(C)[C@@H]1CCS(=O)(=O)C1	768138539	OCRNHQYEEUMDQI-SNVBAGLBSA-N	285.365	1.020	10	20	CDCD	
COc1ccc(CNC[C@](C)(O)C2CC2)c(O)c1OC	1262360398	FPQGAWWKFCFBTD-HNNXBMFYSA-N	281.352	1.660	10	20	CDCD	
COC[C@H]1CN(Cc2ccc(N)cc2)C[C@@H](C)O1	1262488096	QKTNHQDIVUHUAM-BXUZGUMPSA-N	250.342	1.505	10	20	CDCD	
Cc1cc(NCCNCc2ccc(N)cc2)n2ncnc2n1	1579635947	OXPWSUPAELTKEV-UHFFFAOYSA-N	297.366	1.217	10	20	CDCD	
CC[C@](C)(NC(=O)Cc1ccc(O)c(O)c1)c1cnn[nH]1	1576189253	AETUCYLKTOUQOA-AWEZNQCLSA-N	290.323	1.200	10	20	CDCD	
O=C(O)c1ccc(C(=O)NCc2ccc(O)cc2O)cc1	1595220616	WFASRJNMEXHAJO-UHFFFAOYSA-N	287.271	1.726	10	20	CDCD	
CC(C)(CCNC(=O)Cc1ccc(O)c(O)c1)C(=O)O	1590675626	GKZOIECKGQVVPF-UHFFFAOYSA-N	281.308	1.257	10	20	CDCD	
O=C(Cc1ccc(O)c(O)c1)NC1CCC(C(=O)O)CC1	1594707341	HVKAPTDIELPSRR-UHFFFAOYSA-N	293.319	1.400	10	20	CDCD	
CN(CC[C@@H]1COCCO1)c1ccc(OCC(=O)O)cc1	1777056414	UBPUJHBDTMBSHV-CQSZACIVSA-N	295.335	1.392	10	20	CDCD	
COC(=O)CCCCNC(=O)Cc1ccc(N)cc1	153605750	WORJSJGNFNQFOV-UHFFFAOYSA-N	264.325	1.271	10	20	CDCD	
C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)Cc1ccc(N)cc1	830360737	SOKULXIXVZUVLA-DOMZBBRYSA-N	275.396	1.610	10	20	CDCD	
CC(C)CO[C@H](C)C(=O)NCc1ccc(N)cc1	837303482	RSJWSLDVKJJXCQ-LLVKDONJSA-N	250.342	1.946	10	20	CDCD	
C[C@H](NCCN1CCC(O)CC1)c1ccccc1O	295892305	HVOAKQNEIYASPK-LBPRGKRZSA-N	264.369	1.500	10	20	CDCD	
COC[C@@](C)(O)CN[C@H](C)c1ccc(C)cc1O	382576608	UGCSOLDHPIGHFM-RISCZKNCSA-N	253.342	1.749	10	20	CDCD	
CC(=O)c1cc(F)cc(CN(C)C2CCNCC2)c1O	50158750	REHWSJKQGDDECH-UHFFFAOYSA-N	280.343	1.918	10	20	CDCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)NC1CC1	55329260	YCHFHWUWZIUTGI-UHFFFAOYSA-N	293.342	1.624	10	20	CDCD	
CCN1CCN(c2ccc(CNC(N)=O)cc2F)CC1	106512247	YZHWSRBLSBXBKP-UHFFFAOYSA-N	280.347	1.136	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)[C@H]1Cc2ccccc2O1	178445383	KVIVSCQOPGNDLX-OAHLLOKOSA-N	285.299	1.718	10	20	CDCD	
COc1ccnc(C(=O)NCc2cccc(OC)c2O)c1	116444588	MEAGFNOCYXEWAW-UHFFFAOYSA-N	288.303	1.734	10	20	CDCD	
COc1ccc(O)c(CNS(=O)(=O)c2cccs2)c1	119847287	YYTZNVATXVJOHY-UHFFFAOYSA-N	299.373	1.941	10	20	CDCD	
COc1cc(O)c(CN2CC[C@@H](CO)C2)cc1OC	179954148	UANUXTBHTCZMAZ-SNVBAGLBSA-N	267.325	1.224	10	20	CDCD	
COc1ccc(N2CCN(C(=O)C(F)(F)F)CC2)cc1	70286855	NNWCEUUSFAQUBQ-UHFFFAOYSA-N	288.269	1.906	10	20	CDCD	
COCCc1noc(CN(C)Cc2cc(F)ccc2O)n1	180185475	NKSPOEHCLZNNFO-UHFFFAOYSA-N	295.314	1.735	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)Cc1cncn1C	186786778	AZZFUAFNJBOTNH-UHFFFAOYSA-N	286.379	1.687	10	20	CDCD	
COc1ccc(N(Cc2nc(=O)[nH][nH]2)[C@@H](C)C2CC2)cc1	122194754	CVQZKWOAYSBWSD-JTQLQIEISA-N	288.351	1.912	10	20	CDCD	
CC[C@@](C)(O)CNCc1cc(OC)c(OC)cc1O	182440798	GJFAKBVFOHYIBA-CQSZACIVSA-N	269.341	1.660	10	20	CDCD	
C[C@@H](NCC1(C(N)=O)CCOCC1)c1ccccc1O	183413822	XFQYMXUYIQRJNJ-LLVKDONJSA-N	278.352	1.325	10	20	CDCD	
C[C@@H]1CCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1O	75414630	JDGRDVWIVVYKQW-SECBINFHSA-N	298.364	1.388	10	20	CDCD	
COc1cc(O)c(CN[C@H]2C[C@@H](O)C2(C)C)cc1OC	189965090	GOGZXZJZMHLZBR-UONOGXRCSA-N	281.352	1.658	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc[nH]1	183483644	VYKYUXKEVUUDRW-SECBINFHSA-N	260.293	1.787	10	20	CDCD	
CCCNC(=O)CCN[C@@H](C)c1ccccc1O	45072214	HCWDGGRHCVORKD-NSHDSACASA-N	250.342	1.959	10	20	CDCD	
C[C@H](N)[C@@H]1CN(Cc2cc(Cl)ccc2O)CCO1	132621501	SQSAXGSSPIDUBF-ZANVPECISA-N	270.760	1.594	10	20	CDCD	
C[C@H]1CN(Cc2ccc(N(C)C)cc2)C[C@H](CO)O1	191520103	AZTOQVPGTOTCIE-SWLSCSKDSA-N	264.369	1.334	10	20	CDCD	
COc1ccc(N2CCN(C(=O)C(C)(C)O)CC2)cc1F	191840340	AFWNDVNWABTFGH-UHFFFAOYSA-N	296.342	1.254	10	20	CDCD	
C[C@H](CCO)CNCc1cc2c(cc1O)OCO2	97440201	BGTBZDYOVSOHII-SECBINFHSA-N	253.298	1.229	10	20	CDCD	
Cc1ccc(O)c(CN2CCC[C@H](CC(N)=O)C2)c1	93809167	UWEMUIXQGAEPRQ-GFCCVEGCSA-N	262.353	1.788	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)[C@H]1CC1(F)F	295517932	RTYIQAYFGDQGPS-MRVPVSSYSA-N	257.236	1.412	10	20	CDCD	
OC[C@H](O)CNCc1ccc(N2CCCCC2)cc1	90282304	HIDJNIMSGHBOKZ-OAHLLOKOSA-N	264.369	1.120	10	20	CDCD	
C[C@H](CCO)CNC(=O)/C=C/c1ccc(O)c(O)c1	272381807	FRQSNAGBCXNLTQ-RXNUUUNCSA-N	265.309	1.246	10	20	CDCD	
Cc1ccc(C(=O)NC[C@H](C)N(C)C)c(O)c1O	272835965	QPVUGHAYECMOOF-VIFPVBQESA-N	252.314	1.086	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CC[C@H]1CCOC1	274902311	GPXXXUQPTLIPJD-NEPJUHHUSA-N	293.363	1.962	10	20	CDCD	
CCN(CC)c1ccc(CNS(=O)(=O)C2COC2)cc1	276878674	IOCOJUIDEDAUTP-UHFFFAOYSA-N	298.408	1.351	10	20	CDCD	
CO[C@H](C)CS(=O)(=O)Nc1cc(Cl)c(O)cc1F	288101742	AUGOGWRBWJYFBO-ZCFIWIBFSA-N	297.735	1.961	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H]2CSC[C@H]2C)c(O)c1O	804504396	RTNFACPMGQPUGZ-PSASIEDQSA-N	267.350	1.888	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)COC(F)F)c1	802781883	IBTFUSQELJDXIH-ZETCQYMHSA-N	275.251	1.817	10	20	CDCD	
CCCON1C(=O)CN(Cc2ccccc2O)C1=O	819180408	RTQUCEHAHMSDKN-UHFFFAOYSA-N	264.281	1.498	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2C[C@H](C)CCN2)c1	817996827	LZYGKGCFBLPGAH-SUNKGSAMSA-N	292.379	1.966	10	20	CDCD	
CC(C)(C)c1n[nH]c(COC(=O)c2cccc(O)c2O)n1	814467095	XWDLYMVQALCMNI-UHFFFAOYSA-N	291.307	1.870	10	20	CDCD	
CCOCC(=O)N(CC(=O)OCC)Cc1ccccc1O	819694726	MTENNFSEVZRKSC-UHFFFAOYSA-N	295.335	1.320	10	20	CDCD	
COc1cc(C)cc(CN2CC[C@@H](C3OCCO3)C2)c1O	905694894	KMWZDUPBYNSXMA-GFCCVEGCSA-N	293.363	1.904	10	20	CDCD	
CCN(CC(C)=O)C(=O)/C=C\c1ccc(O)c(O)c1	908388869	POFAPRYIDOMYKQ-ALCCZGGFSA-N	263.293	1.549	10	20	CDCD	
COc1ccc(O)c(CNC(=O)CCCC(=O)O)c1	833734013	ZGPCPSFSXKJOLY-UHFFFAOYSA-N	267.281	1.272	10	20	CDCD	
CCOc1cccc(CNC[C@]2(COC)CCCN2)c1O	841067212	KSBJTKGVIORROR-INIZCTEOSA-N	294.395	1.649	10	20	CDCD	
OC[C@@H](NCc1cc(F)ccc1O)[C@@H]1CCCOC1	840963483	OEDCFEPFQHZCAI-ZWNOBZJWSA-N	269.316	1.408	10	20	CDCD	
COc1cccc(CNC[C@@H](C(=O)O)C(C)C)c1O	848639323	HOAXHSJLEKQGAO-LLVKDONJSA-N	267.325	1.847	10	20	CDCD	
CSC[C@@H](C)NC(=O)NCCc1ccc(N)cc1	841830209	VTNDOTITAHHCJL-SNVBAGLBSA-N	267.398	1.862	10	20	CDCD	
COc1cc(O)c(CN2CC[C@@H]3NCC[C@@H]3C2)cc1OC	843126590	KYOKGEFZRDFVRA-YPMHNXCESA-N	292.379	1.593	10	20	CDCD	
C[C@H]1SCC[C@@H]1NC(=O)C(=O)Nc1ccc(N)cc1	843053562	CHDNCHNOYPHYBZ-KCJUWKMLSA-N	279.365	1.218	10	20	CDCD	
C[C@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)[C@@H](C)CN1	841653931	KTBKPURTTPCXBV-STQMWFEESA-N	290.411	1.644	10	20	CDCD	
COc1ccc(O)c(CN[C@@H]2CCN[C@@H](C)C2)c1	841061000	DCBZUXOBTNQBDY-CMPLNLGQSA-N	250.342	1.631	10	20	CDCD	
Cn1ncc(/C=C2/SC(N3CCCCC3)=NC2=O)n1	840732383	FRKYHWRVPLIWKT-JXMROGBWSA-N	277.353	1.271	10	20	CDCD	
COc1ccc(O)c([C@H](C)NCC[C@@]2(O)CCCOC2)c1	846107489	JHFDWFQTCZWYRV-LRDDRELGSA-N	295.379	1.983	10	20	CDCD	
CC[C@@H](C)[C@](C)(O)CNC(=O)c1cc(O)cs1	743482150	OOWBCPRAAIDJHK-PRHODGIISA-N	257.355	1.981	10	20	CDCD	
CN(C)c1ccc([C@H](N)CNCc2cscn2)cc1	841042412	JKPIIKTUVRKCLG-CQSZACIVSA-N	276.409	1.999	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)NCC(C)(C)N	841951632	WCBJWGDNYUUWCQ-UHFFFAOYSA-N	251.330	1.271	10	20	CDCD	
C[C@H]1CC[C@H](NC(=O)C(=O)Nc2ccc(N)cc2)CC1	841034010	VNSJZJQSOJOKHR-UMSPYCQHSA-N	275.352	1.902	10	20	CDCD	
COc1cccc([C@H](C)N[C@@H](C)[C@H]2CN(C)CCO2)c1O	846157254	SVDTUDCDWFTXSY-SLEUVZQESA-N	294.395	1.771	10	20	CDCD	
COC[C@@H](NC(=O)NCCc1ccc(N)cc1)C(C)C	841835393	CQMKJXNBJORTLY-CQSZACIVSA-N	279.384	1.782	10	20	CDCD	
C[C@@H](NC(=O)N[C@@H]1COC(=O)C1)c1ccc(N(C)C)cc1	922050722	FAYMQHHDEDRGLX-PWSUYJOCSA-N	291.351	1.428	10	20	CDCD	
Cc1nc(CC(=O)NCc2ccc(N(C)C)cc2)n[nH]1	854271284	AZANFDRFGJGXEC-UHFFFAOYSA-N	273.340	1.038	10	20	CDCD	
C[C@@H](NC(=O)CC[C@H]1CCNC1)c1ccccc1O	870988102	GJRVZFHLYOMEMT-NEPJUHHUSA-N	262.353	1.959	10	20	CDCD	
CCNC(=O)C1(CNCc2c(O)cccc2OC)CCC1	752933833	RNUZCAFMJNQTKN-UHFFFAOYSA-N	292.379	1.797	10	20	CDCD	
C[C@H](NCC(=O)NCC1CC1)c1cc([N+](=O)[O-])ccc1O	757630794	AABYMMLHMLHBMR-VIFPVBQESA-N	293.323	1.477	10	20	CDCD	
OC1CCN(c2ccc(CNC[C@@H]3CCOC3)cc2)CC1	850405848	HKWBAAXTIDPBQU-HNNXBMFYSA-N	290.407	1.774	10	20	CDCD	
CC[C@H](CO)NCc1cc(F)c(N(C)C)cc1F	858086132	BBVFYSQYXDRHNG-SNVBAGLBSA-N	258.312	1.891	10	20	CDCD	
CC(=O)NC[C@@H]1CCCCN1C(=O)Nc1ccc(N)cc1	859697786	MCOJCDSYLSJKFR-AWEZNQCLSA-N	290.367	1.791	10	20	CDCD	
COCC1(O)CCN(Cc2cc(C)cc(C)c2O)CC1	758373812	FUOKOHYYIMNMGH-UHFFFAOYSA-N	279.380	1.982	10	20	CDCD	
COC(=O)CN(CC(=O)OC)Cc1cc(C)cc(C)c1O	754727236	SYJPJPWOHPSEHM-UHFFFAOYSA-N	295.335	1.157	10	20	CDCD	
CN(C)C[C@@H]1CCN(Cc2cc3c(cc2O)OC[C@@H]3O)C1	768448669	WDCNPTTUZIFLJZ-NHYWBVRUSA-N	292.379	1.202	10	20	CDCD	
CC[C@H](N[C@@H]1COCC[C@H]1O)c1ccc(F)cc1O	866497476	MOPGCPRFFYOBIE-YNEHKIRRSA-N	269.316	1.722	10	20	CDCD	
Cc1ccc(C(=O)N2CCC[C@]2(C)CO)c(O)c1O	760096944	WGMAKOBIUYWQAM-CQSZACIVSA-N	265.309	1.393	10	20	CDCD	
Oc1cc2c(cc1CN1CC[C@]3(CCOC3)C1)[C@@H](O)CO2	768463077	FWSXLVYIZYCDGO-HOCLYGCPSA-N	291.347	1.430	10	20	CDCD	
CC[C@@H]1COCCN1Cc1cc2c(cc1O)OC[C@H]2O	768444985	DWWRVTICNCFLJY-BXUZGUMPSA-N	279.336	1.429	10	20	CDCD	
CC(C)Nc1ccccc1NCC(=O)N1CCOCC1	871846854	DBUJNBHFGUUZFA-UHFFFAOYSA-N	277.368	1.778	10	20	CDCD	
OC1CCN(c2ccc(CN[C@@H]3CC[C@H]3O)cc2)CC1	877597741	XCGZYUHQYBXQOF-HZPDHXFCSA-N	276.380	1.261	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)c1ccc2nc(O)[nH]c2n1	774044400	PVXQQEUKVGTVEZ-UHFFFAOYSA-N	298.302	1.641	10	20	CDCD	
CN(CCNC(=O)N(C)C)Cc1cc(Cl)ccc1O	779432648	YIOZFPLVYGYMBI-UHFFFAOYSA-N	285.775	1.749	10	20	CDCD	
O=C(OCCC1OCCCO1)c1cc(O)cs1	777079406	PMUKBWJLRHWOHA-UHFFFAOYSA-N	258.295	1.764	10	20	CDCD	
CCOc1ccc(CN[C@@H]2CS(=O)(=O)C[C@@H]2C)c(O)c1	886294752	ODKBDIRIQZLANE-GXFFZTMASA-N	299.392	1.314	10	20	CDCD	
C[C@H](NC[C@@]1(O)CCO[C@@H]1C)c1c(O)cccc1F	886603569	QUBRPJGIPBHDBE-RBZYPMLTSA-N	269.316	1.722	10	20	CDCD	
COc1cc(C)cc(CNCCNc2cnccn2)c1O	894330437	NHALJAVARIWEDH-UHFFFAOYSA-N	288.351	1.701	10	20	CDCD	
COc1ccc(CN[C@H]2C(=O)NCC2(C)C)cc1C	895315560	BNBGRNDXWNCHMT-ZDUSSCGKSA-N	262.353	1.618	10	20	CDCD	
C[C@@H](CCCN)NC(=O)N[C@H](C)c1ccccc1O	892141168	OBVPUIIMFDALCJ-WDEREUQCSA-N	265.357	1.880	10	20	CDCD	
COc1ccc(CNC(=O)NCCn2cccc2)c(O)c1	792990147	RGFYUPOMJJYVGW-UHFFFAOYSA-N	289.335	1.702	10	20	CDCD	
Nc1ncc(C(=O)NCc2cccc(O)c2O)s1	83481377	NKPYXSXWAMJWOA-UHFFFAOYSA-N	265.294	1.067	10	20	CDCD	
Nc1c(C(=O)O)sc2nc3c(c(C(=O)O)c12)CCC3	409441184	NRPOZYGAQJYCOY-UHFFFAOYSA-N	278.289	1.764	10	20	CDCD	
CC(C)[C@](C)(O)CNC(=O)c1cccc(O)c1O	193100089	PPNIZZMJLORJKU-CYBMUJFWSA-N	253.298	1.235	10	20	CDCD	
Cc1ccc(C(=O)NC(C)(C)C(=O)OC(C)C)c(O)c1O	1333638059	GTVFTUWUYDRJOM-UHFFFAOYSA-N	295.335	1.866	10	20	CDCD	
O=C(NCc1cccc(O)c1O)c1snnc1C1CC1	1263894489	JAUDISGMTMHFMU-UHFFFAOYSA-N	291.332	1.757	10	20	CDCD	
Cn1c(C(=O)O)ccc1C(=O)NCc1c(O)cccc1O	1608082057	CCZOYHSDBKKDRX-UHFFFAOYSA-N	290.275	1.065	10	20	CDCD	
O=C(N[C@@H]1CCNC1)c1cc2cc(O)c(O)cc2s1	1580744378	VYBAELKSNHSHBQ-MRVPVSSYSA-N	278.333	1.404	10	20	CDCD	
C[C@@](CCF)(NCc1cc(F)cc(F)c1O)C(=O)O	1592508094	ZAOFLXHBDMWRJV-LBPRGKRZSA-N	277.242	1.963	10	20	CDCD	
CCOc1cccc(CN2C[C@@H](O)C[C@H](C(=O)O)C2)c1O	1597155883	VKZYPWQQDVSWEJ-RYUDHWBXSA-N	295.335	1.058	10	20	CDCD	
CC(C)[C@H](NC(=O)CSc1nccs1)C(=O)O	1591883975	WXKSBXFSJUTHMQ-QMMMGPOBSA-N	274.367	1.461	10	20	CDCD	
CN(C)c1ccc(CN2CCC[C@@H](O)[C@@H]2C(=O)O)cc1F	1598317161	ABAPUUFBJSUVPX-ZIAGYGMSSA-N	296.342	1.302	10	20	CDCD	
CCNC(=O)N1CCN(Cc2cc(C)c(C)cc2O)CC1	153393592	BOCNIZKKKYLPDF-UHFFFAOYSA-N	291.395	1.856	10	20	CDCD	
COc1cc(CN(C)CC(=O)NC(C)C)c(O)cc1C	159507489	LZAMMUQUUBFOCA-UHFFFAOYSA-N	280.368	1.666	10	20	CDCD	
Nc1ccc(CC(=O)N[C@@H]2CCC[C@H]3OCC[C@@H]23)cc1	252671484	VXLLPVVEJUPFCJ-RRFJBIMHSA-N	274.364	1.885	10	20	CDCD	
COc1cccc(CNC[C@@H]2CCCN(C)C2)c1O	44534394	PCXNQGZYYRIMKT-LBPRGKRZSA-N	264.369	1.832	10	20	CDCD	
O=C(O)C[C@@H]1CCC[C@H]1NC(=O)c1cccc(O)c1O	405224586	RXMZBPGCKRNEMM-WCBMZHEXSA-N	279.292	1.471	10	20	CDCD	
CC[C@H](NCc1cc2c(cc1O)OCO2)[C@@H](C)O	387397257	KXCHLWAOLQNJJK-SCZZXKLOSA-N	253.298	1.370	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N2CCOCC2)cc1F	58514997	BNZDMLVEAJACCO-UHFFFAOYSA-N	281.331	1.434	10	20	CDCD	
NC(=O)[C@H]1CCCN1Cc1cc(Cl)cc([N+](=O)[O-])c1O	179578959	YRTNZTPKHULIPQ-SECBINFHSA-N	299.714	1.404	10	20	CDCD	
COCCOCC(=O)NCc1ccc(N2CCCC2)cc1	171965675	FHSJVTOHBFPIFN-UHFFFAOYSA-N	292.379	1.566	10	20	CDCD	
COc1ccc(O)c(CN2C[C@H](C)N(C)[C@H](C)C2)c1	141905203	HWPBPNQYOCGADZ-TXEJJXNPSA-N	264.369	1.925	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(O)nc2)c1	170900995	YTMFZKFKKYUTMW-SECBINFHSA-N	288.303	1.992	10	20	CDCD	
C[C@H](C(=O)NC1CC1)N1CCOc2cc(N(C)C)ccc21	130415367	LOWTZVCVGJVLAG-LLVKDONJSA-N	289.379	1.619	10	20	CDCD	
COc1ccc(N2CCCN(CC(OC)OC)CC2)cc1	136744596	KKAXOLOTIPAWJU-UHFFFAOYSA-N	294.395	1.826	10	20	CDCD	
CNCC1CCN(C(=O)Cc2ccc(N)cc2)CC1	237331671	KEOWEURQMZYZQP-UHFFFAOYSA-N	261.369	1.269	10	20	CDCD	
C[C@H](CO)NC(=O)/C=C/c1ccc(N2CCOCC2)cc1	269419624	XDKUMNZZQKWENB-WXJAXGNASA-N	290.363	1.033	10	20	CDCD	
C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cccc(O)c1O	279305000	NUBJQVXTOIGKOL-CABZTGNLSA-N	276.336	1.310	10	20	CDCD	
COC[C@@H](NCc1cc(F)ccc1O)[C@H]1CCCO1	279347689	FXOYMJGXNCWNFZ-TZMCWYRMSA-N	269.316	1.815	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNC2(CO)CCC2)c1O	278544542	YARVMOFQLQEZSD-UHFFFAOYSA-N	282.296	1.314	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@H](C)[C@@H]2CCOC2)c1O	278551912	ZGSWDPIZQLDGRT-MWLCHTKSSA-N	296.323	1.824	10	20	CDCD	
NC(=O)CCC1CCN(Cc2ccccc2O)CC1	271247270	CVXHQRIYEFQVNI-UHFFFAOYSA-N	262.353	1.870	10	20	CDCD	
CC[C@H](CNS(C)(=O)=O)N[C@H](C)c1ccccc1O	296540038	QWZBSWOEURSSRN-GHMZBOCLSA-N	286.397	1.371	10	20	CDCD	
CCCCN(Cc1ccccc1O)C(=O)Cn1cncn1	801548427	FSNMAMGVGYRHPS-UHFFFAOYSA-N	288.351	1.813	10	20	CDCD	
Oc1cccc(Cl)c1CN[C@@H]1CCc2nnnn2CC1	817419014	OCVHIMKUYDOBKF-SECBINFHSA-N	293.758	1.527	10	20	CDCD	
COc1cc(O)c(CN(C)Cc2nnc(C)o2)cc1OC	827039526	XPPHFESQCOYGCJ-UHFFFAOYSA-N	293.323	1.733	10	20	CDCD	
O=CN1CCCN(Cc2cc(Cl)cc(F)c2O)CC1	827871918	MFYULBNRFPWUTG-UHFFFAOYSA-N	286.734	1.849	10	20	CDCD	
OCCCN1CCC[C@H]1CNCc1cccc(Cl)c1O	824563823	DGQBRYOFUCAYQP-ZDUSSCGKSA-N	298.814	1.982	10	20	CDCD	
Cc1ccc(C(=O)OCc2nnnn2C2CC2)c(O)c1O	727005078	FRKHQQDFMXYONL-UHFFFAOYSA-N	290.279	1.085	10	20	CDCD	
NC1(C(=O)NCCCSc2nccs2)CCC1	829528831	ZNUVHUKSEAWSDS-UHFFFAOYSA-N	271.411	1.623	10	20	CDCD	
Cc1ccc(-c2nn[nH]n2)c(NCc2ccccc2O)n1	826277075	INSSIJKMIPSWHZ-UHFFFAOYSA-N	282.307	1.888	10	20	CDCD	
O=C1NC(=S)S/C1=C\c1ccc(-c2nn[nH]n2)s1	823542070	VTFUTQXTTKSBFR-UTCJRWHESA-N	295.374	1.417	10	20	CDCD	
Oc1ccccc1CNCc1ccc(-c2nn[nH]n2)o1	823733589	ZYUXVKOIBMRODG-UHFFFAOYSA-N	271.280	1.455	10	20	CDCD	
O=C(NC[C@@H]1CN2CCC[C@H]2CO1)c1cc(O)cs1	731878851	OHORBSRHMORCDO-GXSJLCMTSA-N	282.365	1.047	10	20	CDCD	
COc1ccc(O)c(CNC(=O)NCc2nccn2C)c1	734071764	XQEAOCCIBUUDKN-UHFFFAOYSA-N	290.323	1.134	10	20	CDCD	
CCN(Cc1cc(O)n2ncc(C(=O)O)c2n1)CC1CC1	737851535	MVJCCJFIMWYIDL-UHFFFAOYSA-N	290.323	1.365	10	20	CDCD	
CC(C)C[C@@H](C(N)=O)C(=O)NCc1ccc(N(C)C)cc1	839468712	GEDJFPJGUMYHEB-AWEZNQCLSA-N	291.395	1.516	10	20	CDCD	
C[C@H](C(N)=O)N(C)c1ccc(/C=C/C(=O)O)cc1[N+](=O)[O-]	833407318	JPPFZJKPGGTENM-YZCDNWJKSA-N	293.279	1.003	10	20	CDCD	
CNC(=O)NC1CCN(Cc2c(O)cccc2Cl)CC1	840974214	AOXSEZKAMNXREE-UHFFFAOYSA-N	297.786	1.939	10	20	CDCD	
CCNCC(=O)NCc1ccc(N2CCSCC2)cc1	844173418	AOIZUDAQWUIUPX-UHFFFAOYSA-N	293.436	1.466	10	20	CDCD	
CCN(CC)CCCNC(=O)NCCc1ccc(N)cc1	841615767	FSXGRBIWCHOLDT-UHFFFAOYSA-N	292.427	1.842	10	20	CDCD	
Cc1cc(C)c(O)c(CN2C[C@H](C)N(CCO)[C@H](C)C2)c1	840133121	BJRSEJUDOWAULJ-GASCZTMLSA-N	292.423	1.896	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)C2(N)CCCC2)c1	843489463	PHFALMNIVPVODU-SNVBAGLBSA-N	278.352	1.850	10	20	CDCD	
COc1cccc([C@@H](C)NCC(F)(F)CO)c1O	846165138	SSKHFYQKADAIQQ-MRVPVSSYSA-N	261.268	1.679	10	20	CDCD	
CN1C[C@H](NC(=O)NCc2cc(Cl)ccc2O)CC1=O	845023976	AKXQZMNWDUROAU-SNVBAGLBSA-N	297.742	1.076	10	20	CDCD	
CCCNCCNC(=O)NCc1ccc(OC)cc1O	841960490	ADGPHFOKRKCGMW-UHFFFAOYSA-N	281.356	1.200	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@H]2C[C@@H](N)C2)c1	843489102	DVYNVRQCMTZNPJ-LPEHRKFASA-N	264.325	1.315	10	20	CDCD	
C[C@H](COCC1CC1)NC(=O)c1c(F)ccc(O)c1O	846662138	UEGDBZKAHZCJNW-MRVPVSSYSA-N	283.299	1.782	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNC[C@H]2CCCNC2)c1O	841032722	JOJSPRJGQUSHFA-JTQLQIEISA-N	295.339	1.398	10	20	CDCD	
CS[C@@H]1CCN(C(=O)NCCc2ccc(N)cc2)C1	841955532	FYWWDIGIXXLCMH-CYBMUJFWSA-N	279.409	1.958	10	20	CDCD	
C[C@H](O)[C@@H](O)CN(Cc1ccco1)Cc1ccccc1O	929969631	OZRNCOJOXIQBNR-LRDDRELGSA-N	291.347	1.729	10	20	CDCD	
COc1ccc(O)c(CNC2COC(C)(C)OC2)c1	758012768	VZQZBARFWTZYKZ-UHFFFAOYSA-N	267.325	1.642	10	20	CDCD	
Cc1ccc([C@@H](C)N[C@@H]2COCC[C@H]2O)c(O)c1C	866497771	LQQQFVDOSVOEPM-MRVWCRGKSA-N	265.353	1.809	10	20	CDCD	
CO[C@]1(CNC(=O)/C=C\c2ccc(O)c(O)c2)CCOC1	764452211	DLLUPMRRCRASIC-QTLSWZBMSA-N	293.319	1.033	10	20	CDCD	
Cc1ccc(CN2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)c(O)c1	877466775	QKVOJKCHSUIGHR-CORIIIEPSA-N	274.364	1.786	10	20	CDCD	
CC[C@H](C(=O)N(C)c1ccc(N)cc1)N1CCCC1=O	877077445	IHIDIFHDBKOARD-CYBMUJFWSA-N	275.352	1.633	10	20	CDCD	
CCN(CC)c1ccc(CN[C@@H](CO)C(=O)O)cc1F	1119613574	KZHOPXKRGDNDEB-LBPRGKRZSA-N	284.331	1.207	10	20	CDCD	
CCNC(=O)CCC(=O)N[C@@H](C)c1ccc(N(C)C)cc1	775410795	MPXUIXSNKCHKRE-LBPRGKRZSA-N	291.395	1.846	10	20	CDCD	
CN(C)CCn1cc(C(=O)Nc2ccc(N)cc2)cn1	876504301	MEDWSCOALIDPSU-UHFFFAOYSA-N	273.340	1.279	10	20	CDCD	
C[C@@H](NCC1(O)CCN(C)CC1)c1c(O)cccc1F	886531004	VAVJJMUGVFOLHD-LLVKDONJSA-N	282.359	1.639	10	20	CDCD	
CCN(C)c1ccc(CN2CC[C@H](S(N)(=O)=O)C2)cc1	773800311	LKLWDCMRUNEUKW-AWEZNQCLSA-N	297.424	1.006	10	20	CDCD	
CCNCc1cn(Cc2ccc(N(C)C)cc2)nn1	881271999	IUXFSNKCZNCVNW-UHFFFAOYSA-N	259.357	1.502	10	20	CDCD	
COc1ccc(CN(C)C[C@@H](O)C2CC2)c(O)c1OC	894472760	WBUJHTABCUQMQT-GFCCVEGCSA-N	281.352	1.612	10	20	CDCD	
CC[C@@H](CO)NCc1ccc(OC)c(OC)c1O	892478651	NGJCXKHJJXOUDL-JTQLQIEISA-N	255.314	1.270	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H](C)[C@H]2CCCOC2)c(O)c1O	781029270	PKVDNJCRRQSLEQ-QWRGUYRKSA-N	279.336	1.951	10	20	CDCD	
CCC[C@@H]1C(=O)NCCN1Cc1cc(F)cc(F)c1O	894087023	RKVAVFBVBTXUPZ-GFCCVEGCSA-N	284.306	1.771	10	20	CDCD	
COc1ccc(CNC(=O)[C@H]2CCO[C@H](C)C2)c(O)c1	794379082	YPKSHQAWGUZTSU-MNOVXSKESA-N	279.336	1.832	10	20	CDCD	
COc1cccc(CCNC(=O)c2cccc(O)c2O)n1	790873936	PRRGIRSIRYJUNJ-UHFFFAOYSA-N	288.303	1.474	10	20	CDCD	
COc1ccc(O)c(CN2C[C@H](CN)C[C@@H]2C)c1	215995207	YYZWETPHPQILNP-QWRGUYRKSA-N	250.342	1.570	10	20	CDCD	
COCCOC[C@@H](C)NC(=O)NCc1ccc(N)cc1	1336046838	AFSSSQXCAQSVEP-LLVKDONJSA-N	281.356	1.120	10	20	CDCD	
CC[C@H]1C(=O)NCCN1Cc1ccc(N2CCCC2)cc1	1341567176	DKVLXSQOTFRLGB-INIZCTEOSA-N	287.407	1.997	10	20	CDCD	
CON(C(=O)/C=C/c1ccc(O)c(O)c1)C(C)C	1347698351	BRSPZNATHPREHY-FNORWQNLSA-N	251.282	1.909	10	20	CDCD	
CO[C@H]1COCC[C@H]1CC(=O)NCc1cccc(O)c1O	1348046048	HIBVSTRKCRVZCY-GWCFXTLKSA-N	295.335	1.156	10	20	CDCD	
COc1ccc(CNc2ccc(C(N)=O)cn2)c(O)c1	1346833131	HAXYMFABWYXWPJ-UHFFFAOYSA-N	273.292	1.507	10	20	CDCD	
CN(Cc1nnc2n1CCOC2)c1ccc(N)cc1	1351679186	LCLDCDMIDFYIGM-UHFFFAOYSA-N	259.313	1.027	10	20	CDCD	
O=C(NCc1cccc(O)c1O)c1cc(C2CC2)[nH]n1	1352658884	ZTKAWXFTVPNULU-UHFFFAOYSA-N	273.292	1.628	10	20	CDCD	
C[C@H](NCc1cncc(-c2nn[nH]n2)c1)c1ccccc1O	1605440370	HBGRVHZFGLILMA-JTQLQIEISA-N	296.334	1.818	10	20	CDCD	
C[C@H](NC(=O)N1CCN[C@@H]2C[C@@H]21)c1ccc(N(C)C)cc1	1576201750	YLXGMTNAYUEWIR-GLQYFDAESA-N	288.395	1.569	10	20	CDCD	
C[C@H](NC(=O)[C@@H](C)C(=O)O)c1ccc(N(C)C)cc1	1588568165	ANEDNKXFGXKKNG-ZJUUUORDSA-N	264.325	1.651	10	20	CDCD	
O=C(NCc1c(O)cccc1O)c1cccc2c1CCNC2	1580708370	NPJYVAIZYREGMU-UHFFFAOYSA-N	298.342	1.674	10	20	CDCD	
CCN(CCC(=O)O)C(=O)/C=C\c1ccc(O)c(O)c1	1596305555	FYFCSYGRQYMSCT-XQRVVYSFSA-N	279.292	1.434	10	20	CDCD	
O=C(O)c1cc(N2CCOc3cccc(O)c3C2)ccn1	1777666689	CLYYIAODLXDZIS-UHFFFAOYSA-N	286.287	1.884	10	20	CDCD	
CCC[C@H]1C(=O)NCCN1Cc1cc(OC)c(C)cc1O	160523521	GHXFFICWXBRESY-ZDUSSCGKSA-N	292.379	1.810	10	20	CDCD	
O=[N+]([O-])c1cnn(CCNCc2c(O)cccc2Cl)c1	151265387	XEPKBFPRPWRNPL-UHFFFAOYSA-N	296.714	1.940	10	20	CDCD	
CC(C)CO[C@@H](C)C(=O)NCCc1ccc(N)cc1	818546096	MLIBVGXXHSEQAR-LBPRGKRZSA-N	264.369	1.989	10	20	CDCD	
CCc1cccc(CN[C@@H](C)c2ncnn2C)c1O	848905626	KNWOBLGGGAYXEP-JTQLQIEISA-N	260.341	1.934	10	20	CDCD	
C[C@H](NC[C@]1(O)CCO[C@@H]1C)c1ccc(N(C)C)cc1	228062057	FTWBTJMUUANBBN-WOSRLPQWSA-N	278.396	1.943	10	20	CDCD	
COCCNCCNCc1ccc2c(c1)CCCO2	228737720	SDEPRTFLWOBPEW-UHFFFAOYSA-N	264.369	1.337	10	20	CDCD	
COc1ccc(CNCC2(O)CCN(C)CC2)cc1C	77450619	DROSPGIDIXXAEE-UHFFFAOYSA-N	278.396	1.550	10	20	CDCD	
CN1CCC[C@@H](N[C@@H]2CCc3cccc(O)c32)C1=O	704346660	YSIMYHJDFUVKGC-VXGBXAGGSA-N	260.337	1.590	10	20	CDCD	
OC[C@@H](CC(F)F)NCc1cc(F)cc(F)c1O	708421486	SZNOWTYYVXCBQA-MRVPVSSYSA-N	267.222	1.776	10	20	CDCD	
CCN1C[C@@H](NCc2c(O)cccc2Cl)CC1=O	391520035	CDJPURKIGMJHMZ-VIFPVBQESA-N	268.744	1.756	10	20	CDCD	
C[C@H](NC[C@@H](O)CN(C)C)c1ccc(F)cc1O	717368887	ULRXMHIKVKZHEE-GXSJLCMTSA-N	256.321	1.104	10	20	CDCD	
CCS(=O)(=O)CCN[C@H]1CCc2cccc(O)c21	386439736	CEAHYDNEJPGHLJ-NSHDSACASA-N	269.366	1.404	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc[nH]c1=O	23745286	FYSASASSDYEUKZ-UHFFFAOYSA-N	285.347	1.713	10	20	CDCD	
Cc1ccc(O)c(CN[C@H]2CCCS(=O)(=O)C2)c1	69141257	MKOTZRDHYHHYKR-LBPRGKRZSA-N	269.366	1.367	10	20	CDCD	
CCOCCS(=O)(=O)NCc1ccc(N(C)C)cc1	170656620	ZLGZTBUCHJCIQR-UHFFFAOYSA-N	286.397	1.209	10	20	CDCD	
Cc1cc(C(=O)N2CC[C@H](CN)C2)c(C)n1-c1ccccn1	178568340	AOWRWRDTGKEYDI-CQSZACIVSA-N	298.390	1.910	10	20	CDCD	
C[C@@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)C[C@H]1C	72872250	QWMXOJBFSPVVHO-ZIAGYGMSSA-N	289.423	1.957	10	20	CDCD	
CC(C)CN(CC(=O)O)C(=O)c1cccc(O)c1O	126021781	FOXSLNKTSFFSJZ-UHFFFAOYSA-N	267.281	1.281	10	20	CDCD	
CCC[C@@H](NCc1cc(OC)ccc1O)C(=O)O	86733879	QTQQBYKGHMVBKP-LLVKDONJSA-N	253.298	1.744	10	20	CDCD	
COc1cc(Cl)cc(CN[C@@H]2CCN(C)C2)c1O	228673476	OYRNWIJFYOQJKE-LLVKDONJSA-N	270.760	1.848	10	20	CDCD	
CC[C@@H](C)OCC(=O)NCc1cccc(OC)c1O	134180007	GUGRKRSKZCCHLA-SNVBAGLBSA-N	267.325	1.832	10	20	CDCD	
CCN(CC)c1ccc(CNC2(C(N)=O)CC2)cc1F	191486141	MNZNXSGMUKHQEV-UHFFFAOYSA-N	279.359	1.779	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)N[C@H](C)CCCO)c1	273611072	VWVBSVRHXDHXHO-GHMZBOCLSA-N	281.352	1.990	10	20	CDCD	
COc1cccc(CN2CC[S@](=O)C[C@@H](C)C2)c1O	277402709	HXGJTUMUQORACH-WLRWDXFRSA-N	283.393	1.601	10	20	CDCD	
COc1cccc(CN2CC[C@H]([C@@H](C)O)C2)c1O	272559707	SXBRBXPLXZECGC-MNOVXSKESA-N	251.326	1.604	10	20	CDCD	
COCC[C@@H](CO)NCc1ccc(N(C)C)c(F)c1	282169978	JFOACFNHLPLAOU-LBPRGKRZSA-N	270.348	1.379	10	20	CDCD	
CC[C@@H](N[C@H](CO)CCOC)c1ccccc1O	281711812	UAZLHSFMKHKGLD-WCQYABFASA-N	253.342	1.830	10	20	CDCD	
Cc1cnc(C(=O)NCc2ccc(N(C)C)c(F)c2)cn1	299352137	UETWMWSADWITOY-UHFFFAOYSA-N	288.326	1.920	10	20	CDCD	
CCn1nc(C)c(C(=O)NCc2ccccc2O)n1	293758373	RKYJUDCASWSXBF-UHFFFAOYSA-N	260.297	1.242	10	20	CDCD	
COc1ccncc1COC(=O)c1cccc(O)c1O	805532998	VWRLWLSRUCQMIG-UHFFFAOYSA-N	275.260	1.858	10	20	CDCD	
CCOc1cccc(CN2CC(C(C)(C)O)C2)c1O	297525881	YRELASXBMJGDME-UHFFFAOYSA-N	265.353	1.994	10	20	CDCD	
C[C@@H](N[C@@H]1COCC[C@H]1O)c1ccc(F)cc1O	710911930	QLFJMXCGCYYJME-GGZOMVNGSA-N	255.289	1.332	10	20	CDCD	
N[C@@H]1C[C@@H]1C(=O)NCc1c(O)ccc2c1CCCC2	818215610	KWNHTXQWHIUIGW-WCQYABFASA-N	260.337	1.234	10	20	CDCD	
COc1ccc(CNC(=O)c2cc(C=O)c[nH]2)c(O)c1	816550870	FXRRGAFAOZXVKP-UHFFFAOYSA-N	274.276	1.471	10	20	CDCD	
CCc1cc(C(=O)NCCc2ccc(O)c(O)c2)n(C)n1	821061878	ZHLDFZQVDAZAKZ-UHFFFAOYSA-N	289.335	1.366	10	20	CDCD	
O=C(NCc1nc(C2CC2)no1)c1c(F)ccc(O)c1O	825504188	SDGFAZWTBMUQSS-UHFFFAOYSA-N	293.254	1.427	10	20	CDCD	
O=C(NC1CCN(CC(F)F)CC1)c1cc(O)cs1	731872861	SIUGHKBDAHYIOW-UHFFFAOYSA-N	290.335	1.913	10	20	CDCD	
COc1cc(CCC(=O)N(C)Cc2ccccc2O)on1	830140977	LGEBLFMXVHJYIA-UHFFFAOYSA-N	290.319	1.980	10	20	CDCD	
CN(C)C(=O)[C@@H]1CCN(Cc2cc3c(cc2O)OCO3)C1	840177329	ILDLYUZDWNKUMU-SNVBAGLBSA-N	292.335	1.031	10	20	CDCD	
COc1cccc(CNC(=O)C(C)(C)CNC(C)=O)c1O	845834030	PPUMAXJOYBVYDY-UHFFFAOYSA-N	294.351	1.179	10	20	CDCD	
C[C@@H]1C[C@H]1C(=O)N(CC(=O)O)Cc1ccccc1O	911483971	IBBSANKRINONLL-MWLCHTKSSA-N	263.293	1.461	10	20	CDCD	
CCN1C[C@@H](NCc2ccc(N(C)C)cc2C)CC1=O	840950509	LFLUAFQMPZCOPP-AWEZNQCLSA-N	275.396	1.771	10	20	CDCD	
COc1cc(O)c(CN2C[C@H](C)NC[C@H]2C)cc1OC	843119923	OAAOKEOXTDWWAE-WDEREUQCSA-N	280.368	1.592	10	20	CDCD	
Cc1cnn(CC(=O)N(C)Cc2ccc(N(C)C)cc2)c1	918690087	JGFVAXDHPQBEBF-UHFFFAOYSA-N	286.379	1.916	10	20	CDCD	
CO[C@H](CC(C)C)C(=O)NCCc1ccc(O)c(O)c1	841402882	BTJPYGWNBAXKEP-CQSZACIVSA-N	281.352	1.818	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@@H]2CSCCS2)c1	751067810	ASIRAULJJSHZLC-LBPRGKRZSA-N	299.417	1.866	10	20	CDCD	
C[C@@H](NCC(C)(C)C(N)=O)c1cc(F)cc(F)c1O	756781430	FEFDPMGAPCZCMY-SSDOTTSWSA-N	272.295	1.833	10	20	CDCD	
COc1cccc(CNC[C@@H](CO)CC2CC2)c1O	850388807	PWDXXZMTQVNIRH-LBPRGKRZSA-N	265.353	1.899	10	20	CDCD	
C[C@@H]1CCN(Cc2cc(F)ccc2O)C[C@@H]1CO	857061811	VWWHBBRYWXVRRV-ZYHUDNBSSA-N	253.317	1.982	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCC(F)F	753778573	FZIXBSMHBVUVFS-UHFFFAOYSA-N	299.321	1.092	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)C2(C(=O)NC3CC3)CC2)c1	862759112	WOESECAUCBQTDT-UHFFFAOYSA-N	288.347	1.376	10	20	CDCD	
COC(=O)C[C@]1(NCc2cccc(C)c2O)CCOC1	768531945	BZUWIVYTUGGCAD-OAHLLOKOSA-N	279.336	1.512	10	20	CDCD	
C[C@@H]1CN(Cc2cc3c(cc2O)OC[C@@H]3O)CCCO1	768448884	YBCNJPLIOFDOBU-YGRLFVJLSA-N	279.336	1.429	10	20	CDCD	
COC[C@H]1CN(Cc2c(C)cccc2O)CCO1	876748724	GYOYJBXGXBEPLI-GFCCVEGCSA-N	251.326	1.548	10	20	CDCD	
C[C@H](NC(=O)N(C)C1CC(O)C1)c1ccc(N(C)C)cc1	776248413	ZZSLDHSCPYCLPP-QGLTVNCISA-N	291.395	1.978	10	20	CDCD	
Cc1ccc(CN(C)CC2(O)CCOCC2)c(O)c1	877459332	HXEWQYBWCQZHAI-UHFFFAOYSA-N	265.353	1.674	10	20	CDCD	
Cc1ccc(CNc2ccn(CCC(N)=O)n2)c(O)c1	876877527	WVTVVVITGPLQOB-UHFFFAOYSA-N	274.324	1.385	10	20	CDCD	
CC(C)c1nccn1CC(=O)NCCc1ccc(N)cc1	876527911	HERQBYFZXVRJMV-UHFFFAOYSA-N	286.379	1.948	10	20	CDCD	
COC(=O)NCCC(=O)N[C@@H](C)c1ccc(N(C)C)cc1	773018131	HINQDBHAEWGOBE-NSHDSACASA-N	293.367	1.676	10	20	CDCD	
COCCO[C@H]1COCC[C@H]1NCc1cc(F)ccc1O	777219961	OKQSCXRECSWQDR-HIFRSBDPSA-N	299.342	1.441	10	20	CDCD	
CCN(C)c1ccc(CN(C[C@H](C)O)[C@H](C)CO)cc1	773887976	KLFZFXBEWTVIRM-KGLIPLIRSA-N	280.412	1.706	10	20	CDCD	
CC[C@]1(C)CN(Cc2cc3c(cc2O)OC[C@@H]3O)CCO1	785513128	CYWJMEBRRZYZJP-GOEBONIOSA-N	293.363	1.819	10	20	CDCD	
CCNC(=O)CC(=O)NCCCSc1nccs1	780939440	IVIIRRYLKPDVOO-UHFFFAOYSA-N	287.410	1.268	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@H]2CO[C@H](C)C2)c1	784443457	STIQTXIGYTXRQU-MWLCHTKSSA-N	265.309	1.442	10	20	CDCD	
COC[C@H](NCc1ccc(N(C)C)cc1)C(=O)OC	789575491	LZDOPNGBTIBXSO-ZDUSSCGKSA-N	266.341	1.030	10	20	CDCD	
Cc1ccc(C(=O)NCc2cccn2C)c(O)c1O	780955704	FJUBRMKLWWBVAV-UHFFFAOYSA-N	260.293	1.675	10	20	CDCD	
CCOc1ccc(O)c(CN2C[C@H]3C[C@]3(CO)C2)c1	783737016	XYYVJVAPGLEEFH-IUODEOHRSA-N	263.337	1.605	10	20	CDCD	
C[C@@H]1CCN(Cc2cc(F)cc(F)c2O)[C@@H](C(N)=O)C1	894500430	NZTXTKRVQXLQKR-PRHODGIISA-N	284.306	1.756	10	20	CDCD	
CC[C@]1(NC(=O)c2ccc(C)c(O)c2O)CCOC1	791437650	ZJWCTPWEDJHHHN-AWEZNQCLSA-N	265.309	1.705	10	20	CDCD	
COc1ccc(CNC(=O)Nc2cnn(C)c2)c(O)c1	793136584	FIGHQDUWFKORRU-UHFFFAOYSA-N	276.296	1.456	10	20	CDCD	
O=S1(=O)CC[C@@H](CNCc2c(O)cccc2Cl)C1	83551658	XKMOJCGPXGQRPT-VIFPVBQESA-N	289.784	1.570	10	20	CDCD	
CC(=O)c1cc(F)cc(CN(CCO)CC(F)F)c1O	194837819	QUHYQZLVJYQXOH-UHFFFAOYSA-N	291.269	1.793	10	20	CDCD	
CCCNC(=O)CN[C@H](C)c1cc(C(=O)O)ccc1O	1605330355	AZUUFQDBCKWJIU-SECBINFHSA-N	280.324	1.267	10	20	CDCD	
C[C@H](N=c1cc[nH]c(C(=O)O)n1)c1ccc(N(C)C)cc1	1604365633	ZCQNJDZTUYUYQP-JTQLQIEISA-N	286.335	1.836	10	20	CDCD	
COc1cc(C)c(CNC[C@@H]2CNCCCO2)c(O)c1	1579144382	CUCZUPLJOJIMNW-ZDUSSCGKSA-N	280.368	1.177	10	20	CDCD	
CNC(=O)c1ccsc1NC(=O)Cc1ccc(N)cc1	1578564478	AVUBMXGZRAQFBZ-UHFFFAOYSA-N	289.360	1.871	10	20	CDCD	
O=C(O)[C@@]1(C(=O)NCc2cccc(Cl)c2O)CCCO1	1594863360	NNJVHNGXBSCRQQ-ZDUSSCGKSA-N	299.710	1.296	10	20	CDCD	
C[C@H]1CN(C(=O)Nc2ccc(N)cc2)CC[C@H]1C(=O)O	1599922901	XJBRNUYJGOASRT-JOYOIKCWSA-N	277.324	1.843	10	20	CDCD	
Cc1cc(O)c(CN2CCN(CC(C)(C)O)CC2)cc1C	158583015	ZYKKJZHEDNCNKG-UHFFFAOYSA-N	292.423	1.898	10	20	CDCD	
COc1ccc(O)c(CN[C@H](C)C[S@](C)=O)c1	168413507	ZIKOZSZVSGDNLJ-VVVCHXIZSA-N	257.355	1.257	10	20	CDCD	
CN1C(=O)C(=Cc2cc(Cl)ccc2F)C(=O)N(C)C1=O	152130422	SFJRJGIDQIFIKH-UHFFFAOYSA-N	296.685	1.913	10	20	CDCD	
CN(CCO)Cc1cc(Cl)cc([N+](=O)[O-])c1O	157733094	APFACMNDDZUXGS-UHFFFAOYSA-N	260.677	1.378	10	20	CDCD	
CCOc1cccc(CN2C[C@@H](C)NC[C@@H]2C)c1O	86466839	UIMLWAXVMLUOHF-NEPJUHHUSA-N	264.369	1.973	10	20	CDCD	
COc1cccc(CNC(=O)CCCn2cncn2)c1O	105651354	ORPWKMGYQBKVAH-UHFFFAOYSA-N	290.323	1.089	10	20	CDCD	
OCCOCCNCc1cc(Cl)cc(Cl)c1O	20198904	RCPDEIFWFXRLCH-UHFFFAOYSA-N	280.151	1.798	10	20	CDCD	
O=S1(=O)CCC[C@H](NCc2cc(Cl)ccc2O)C1	69142254	HKMHNORFPSIOPM-NSHDSACASA-N	289.784	1.712	10	20	CDCD	
O=C(CN1CCCC1=O)NCCCSc1nccs1	114375454	CWXBNDNOJKTWHP-UHFFFAOYSA-N	299.421	1.364	10	20	CDCD	
COCCCOCC(=O)N(C)Cc1ccc(N(C)C)cc1	179618286	CYSGVSOBAKLKAE-UHFFFAOYSA-N	294.395	1.764	10	20	CDCD	
CCOc1cccc(CN2CCC[C@H]2C(=O)OC)c1O	124775569	KQLWOYQLAOYYPH-LBPRGKRZSA-N	279.336	1.928	10	20	CDCD	
Cc1ccc(NC=C2C(=O)N(C)C(=O)N(C)C2=O)cc1F	60862134	PWPLUCSIGQKMNJ-UHFFFAOYSA-N	291.282	1.480	10	20	CDCD	
COC1CCN(C(=O)c2cccc(O)c2O)CC1	126250532	OCZPVWQDSQQLFH-UHFFFAOYSA-N	251.282	1.349	10	20	CDCD	
C[C@@](NC(=O)Cc1ccc(N)cc1)(C(=O)O)c1ccccc1	315658807	URXIYWZPLRTSBI-KRWDZBQOSA-N	298.342	1.928	10	20	CDCD	
C[C@@H](O)CCN(C)C(=O)/C=C/c1ccc(O)c(O)c1	181153430	FTHHDPDXBRBZRN-DFVUYQKZSA-N	265.309	1.340	10	20	CDCD	
COCCC(=O)NCCCSc1nccs1	74255494	FIHOFSRYVXWUKQ-UHFFFAOYSA-N	260.384	1.778	10	20	CDCD	
C[C@H](NCCS(C)(=O)=O)c1cc(Cl)ccc1O	185226448	SLJPXYVXVCNDKJ-QMMMGPOBSA-N	277.773	1.741	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccncn1	194007532	VDACAVYFROIASG-VIFPVBQESA-N	288.307	1.641	10	20	CDCD	
CNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	49176999	LJKJSEJCBCPKJC-NSHDSACASA-N	263.341	1.513	10	20	CDCD	
CNC[C@@H](C)C(=O)N(C)Cc1ccc(N(C)C)cc1	92134180	KVUITZCDJRJOOE-GFCCVEGCSA-N	263.385	1.567	10	20	CDCD	
CC[C@@H](CO)NCc1ccc([N+](=O)[O-])c(OC)c1O	278873826	NFPKVTJQHUEXMM-VIFPVBQESA-N	270.285	1.170	10	20	CDCD	
COc1ccc(O)c([C@H](C)N[C@@H](CO)c2cnn(C)c2)c1	273489336	NXJWIYMFYQTZIA-HZMBPMFUSA-N	291.351	1.519	10	20	CDCD	
C[C@@H](NCCC(=O)N(C)C)c1cc([N+](=O)[O-])ccc1O	273607309	UOIGZFUCHJOKHI-SECBINFHSA-N	281.312	1.429	10	20	CDCD	
Cc1ccc(C(=O)NC[C@@H]2CCSC2)c(O)c1O	279803868	PNEIGLWQWLZNFS-VIFPVBQESA-N	267.350	1.889	10	20	CDCD	
C[C@H](N[C@H](C)C(=O)NCCF)c1cc(F)ccc1O	282437415	DOZMPDXZSPDZCP-DTWKUNHWSA-N	272.295	1.656	10	20	CDCD	
Oc1ccc(F)cc1CN[C@@H]1CCc2c[nH]nc2C1	373125362	NNRYHUPWILFMHC-GFCCVEGCSA-N	261.300	1.902	10	20	CDCD	
Cc1ccc(O)c(CN2C[C@H](N3CCOCC3)C[C@H]2C)c1	289803330	SMZBJAYMUGCREN-GDBMZVCRSA-N	290.407	1.996	10	20	CDCD	
CCOc1ccc(O)c(CNCCN2CCCOCC2)c1	289419742	IZIMKFYVUPULGZ-UHFFFAOYSA-N	294.395	1.603	10	20	CDCD	
CCN(CCOCCO)Cc1c(O)cccc1OC	800531434	FBXGGPOOOMGIKO-UHFFFAOYSA-N	269.341	1.232	10	20	CDCD	
Cc1ccncc1/C=C/C(=O)N1CC(=O)Nc2cnccc21	492536888	QVCWWWYLSQPYPW-NSCUHMNNSA-N	294.314	1.784	10	20	CDCD	
CC(C)[C@H](NC(=O)O)C(=O)N(C)Cc1ccccc1O	736362009	LKBUITVPOBFYIL-LBPRGKRZSA-N	280.324	1.643	10	20	CDCD	
COc1ccc(O)c(CN2CC[C@](F)(C(=O)O)C2)c1	833733633	LXXMOOWLXGFEAP-CYBMUJFWSA-N	269.272	1.399	10	20	CDCD	
Cn1nnc2c1CC[C@@H](NCc1cc(F)ccc1O)C2	848926774	ZABWPABZABDOSY-LLVKDONJSA-N	276.315	1.307	10	20	CDCD	
COc1ccc(CNC(=O)NC2CCC(N)CC2)c(O)c1	841944818	IOPZXEMWOMXBEF-UHFFFAOYSA-N	293.367	1.470	10	20	CDCD	
CN[C@@H](C)C(=O)N1CCCN(c2ccc(OC)cc2)CC1	848411226	YHSPUFQJNDRHHG-ZDUSSCGKSA-N	291.395	1.342	10	20	CDCD	
CC(C)NC(=O)CCCC(=O)NCc1ccc(O)cc1O	910953386	ABHSGMCUHSHRJZ-UHFFFAOYSA-N	294.351	1.409	10	20	CDCD	
CO[C@H](CS(=O)(=O)Nc1ccc(O)cc1F)C(C)C	842589204	SPCVGPVEDVITFJ-GFCCVEGCSA-N	291.344	1.944	10	20	CDCD	
C[C@H]1[C@H](C)CCN1C(=O)C(=O)Nc1ccc(N)cc1	841057292	IVDMHDCYIBHTEU-ZJUUUORDSA-N	261.325	1.464	10	20	CDCD	
CC(C)(C)N1CC[C@H](NCc2ccccc2O)C1=O	842720445	HSPNHIFBTKDZJS-LBPRGKRZSA-N	262.353	1.881	10	20	CDCD	
OC[C@@]1(NCc2cc(Cl)cc(F)c2O)CCOC1	757978234	LIJCGQPLVOPJFA-LBPRGKRZSA-N	275.707	1.426	10	20	CDCD	
COc1ccc(O)c(CN2C[C@H]3CCC[C@]3(N)C2)c1	857225991	CLHVGJZAHOMTET-DOMZBBRYSA-N	262.353	1.714	10	20	CDCD	
COc1cccc(CNC(=O)c2cn(C3CC3)nn2)c1O	860241441	REUWHWXPOGNFIG-UHFFFAOYSA-N	288.307	1.257	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@H]2CCn3cncc3C2)c1	862757224	LTUYCCDORDYDCP-LBPRGKRZSA-N	285.347	1.776	10	20	CDCD	
CCO[C@H](C(=O)N[C@H](C)Cc1ccc(O)c(O)c1)C1CC1	860696383	UGMORPJNPGRHJA-BMIGLBTASA-N	293.363	1.960	10	20	CDCD	
CCOC(=O)/C=C/CN(C)c1ccc2c(c1)OCO2	930095682	ZCERIRAWUMFHGP-SNAWJCMRSA-N	263.293	1.971	10	20	CDCD	
OCC1(NCc2ccc(N3CCOCC3)c(F)c2)CCC1	767929828	RJMZPNBOSMASAK-UHFFFAOYSA-N	294.370	1.667	10	20	CDCD	
Cn1ccc(CCNCc2cc([N+](=O)[O-])ccc2O)n1	760634807	WAVZZGVAEVYOPL-UHFFFAOYSA-N	276.296	1.366	10	20	CDCD	
CC(=O)c1cc(O)ccc1NS(=O)(=O)c1c[nH]nc1C	766047982	OSJYMBQSFQQVMX-UHFFFAOYSA-N	295.320	1.427	10	20	CDCD	
CCCn1cc(C(=O)NCc2cccc(OC)c2O)nn1	767090996	YTJWLXYDZHKUPZ-UHFFFAOYSA-N	290.323	1.332	10	20	CDCD	
CCO[C@@H]1C[C@H](NC(=O)c2cc(O)cs2)[C@H]1OC	776227245	JSRQVOYVIHZQET-IQJOONFLSA-N	271.338	1.376	10	20	CDCD	
CCOC(=O)C1(CNCc2cc3c(cc2O)OCO3)CC1	770666344	YWXNDROQRIJQGX-UHFFFAOYSA-N	293.319	1.554	10	20	CDCD	
Cc1ccc(CN2CCN(S(C)(=O)=O)[C@@H](C)C2)c(O)c1	877140797	LLWCSBLURIHATR-LBPRGKRZSA-N	298.408	1.166	10	20	CDCD	
CC(C)(C)NCCNC(=O)c1c(F)ccc(O)c1O	788304968	DIJMUQWDXGFCJA-UHFFFAOYSA-N	270.304	1.355	10	20	CDCD	
CN1[C@H]2CC[C@H]1CN(C(=O)NCc1ccc(N)cc1)CC2	1120591594	BXZODMOGDMNZGW-GJZGRUSLSA-N	288.395	1.647	10	20	CDCD	
Cc1ccc(C(=O)N[C@]2(C)CCCOC2)c(O)c1O	781016114	ZTUCIIXQMSKPMQ-CQSZACIVSA-N	265.309	1.705	10	20	CDCD	
Cc1ccc(C(=O)NCc2ccccc2CO)c(O)c1O	780970264	QGQPFXRZIZHRMR-UHFFFAOYSA-N	287.315	1.829	10	20	CDCD	
COc1cccc(CN2[C@H](C)C(=O)N(C)[C@H](C)[C@H]2C)c1O	895921273	PAUBDVSOZRSLDV-IJLUTSLNSA-N	292.379	1.840	10	20	CDCD	
COc1ccc(CN(C)C2CC(O)C2)c(O)c1OC	893577875	IDUXKTNAPLOVNE-UHFFFAOYSA-N	267.325	1.365	10	20	CDCD	
COCCCCNCc1ccc(OC)c(OC)c1O	892588050	CCCXUMUERXMKOC-UHFFFAOYSA-N	269.341	1.926	10	20	CDCD	
COc1cc(C)cc(CN2CC(C)(OC)C2)c1O	894780710	JCPYTMPFZOCGEZ-UHFFFAOYSA-N	251.326	1.930	10	20	CDCD	
COc1ccc(CNC(=O)NCc2nccn2C)c(O)c1	792949673	CSNSBTXKAMLYMG-UHFFFAOYSA-N	290.323	1.134	10	20	CDCD	
CC[C@H](C(=O)NCc1ccc(N(C)C)cc1C)C(=O)OC	790648749	PFVCWUPMTJDVCO-CQSZACIVSA-N	292.379	1.876	10	20	CDCD	
COc1ccc(CNC(=O)c2ccc3nn[nH]c3c2)c(O)c1	794376945	NFRFXYMDCAOFEP-UHFFFAOYSA-N	298.302	1.602	10	20	CDCD	
CC[C@@H](N[C@H](C)CC(N)=O)c1ccc(F)cc1O	796798205	OZAJLJJFHDXLMW-LDYMZIIASA-N	254.305	1.836	10	20	CDCD	
COC[C@H](CO)N[C@H]1C[C@@H](C)c2c(F)ccc(O)c21	794833462	DSCRKWDPZLRXQX-YWVKMMECSA-N	269.316	1.677	10	20	CDCD	
Cc1nccn1CCNCc1cc(F)cc(F)c1O	708495473	XOQGEIWULSRSHR-UHFFFAOYSA-N	267.279	1.965	10	20	CDCD	
CC[C@H](NCc1cc(OC)ccc1O)C(=O)NC	697858395	MIWBUCJWXUAPNU-NSHDSACASA-N	252.314	1.015	10	20	CDCD	
COc1cccc(O)c1CNC[C@]1(O)CCO[C@H]1C	788536530	PUEFYAHZRJNOHT-IINYFYTJSA-N	267.325	1.030	10	20	CDCD	
CN[C@@H](C)CCN[C@H](C)c1cc(C(=O)OC)ccc1O	1261424578	XYBLHXLNGXNJPO-WDEREUQCSA-N	280.368	1.827	10	20	CDCD	
CCN(CC)c1ccc(CN(C)C(=O)CNCCN)cc1	1353460745	ZAMODFPQTIQZGS-UHFFFAOYSA-N	292.427	1.040	10	20	CDCD	
O=C(O)Cn1cc(NCc2ccc(Cl)cc2O)cn1	1606341274	PTVXOAZRRCGNDW-UHFFFAOYSA-N	281.699	1.939	10	20	CDCD	
O=C(O)c1cc(C(=O)NCc2cc(Cl)ccc2O)[nH]n1	1605793604	UCPOJSFYBXFBCG-UHFFFAOYSA-N	295.682	1.397	10	20	CDCD	
COc1cc(N2CCC(=O)CC2)c([N+](=O)[O-])cc1OC	214129053	SUMRACFMKODJES-UHFFFAOYSA-N	280.280	1.781	10	20	CDCD	
C[C@@](N)(C(=O)NCc1cccc(O)c1O)c1ccccc1	1576086657	XJVPYLAMLVLQNG-INIZCTEOSA-N	286.331	1.588	10	20	CDCD	
COc1cc(C)c(CNC[C@@]2(C(=O)O)CCOC2)c(O)c1	1599391227	MBYZSFXQNDOIAZ-HNNXBMFYSA-N	295.335	1.290	10	20	CDCD	
O=C(O)C1(C(=O)NCCc2ccc(O)c(O)c2)CCC1	1594862543	ZLBNGRXDHAUPRG-UHFFFAOYSA-N	279.292	1.011	10	20	CDCD	
CCn1nccc1CNCc1ccc(C(=O)O)cc1O	1777019165	VCUKTCSMLQCIIS-UHFFFAOYSA-N	275.308	1.597	10	20	CDCD	
C[C@H](NC(=O)C1(N)CC1)c1ccc(N2CCOCC2)cc1	166247004	PCHMVSGKJASHII-LBPRGKRZSA-N	289.379	1.192	10	20	CDCD	
Oc1ccc(Cl)cc1CNCCO[C@H]1CCOC1	922939095	LHGBPZRRNOXRQZ-LBPRGKRZSA-N	271.744	1.941	10	20	CDCD	
CC(C)[C@H]1C(=O)NCCN1C(=O)Nc1ccc(N)cc1	841299593	FMCZXOUKNNDQFQ-LBPRGKRZSA-N	276.340	1.257	10	20	CDCD	
Oc1cc2c(cc1CNC[C@@H]1CCCCO1)OCO2	42880561	LYVIUYGEELDFLE-NSHDSACASA-N	265.309	1.780	10	20	CDCD	
CN(C)C(=O)CCCN[C@H]1CCc2cccc(O)c21	297766251	OZROKYJJSCMFRH-LBPRGKRZSA-N	262.353	1.838	10	20	CDCD	
CCCN(CCC)S(=O)(=O)NCCc1ccc(N)cc1	63129920	ZSNZFQBXKVMGMO-UHFFFAOYSA-N	299.440	1.768	10	20	CDCD	
CC[C@](C)(CNC(=O)c1cccc(O)c1O)OC	323065497	LXWYZBHNEQDQTK-CYBMUJFWSA-N	253.298	1.643	10	20	CDCD	
Cc1cc(C(=O)N[C@@H](C)C(N)=O)c(C)n1-c1ccccc1	53394219	IWMWYJZJRMGHKS-NSHDSACASA-N	285.347	1.698	10	20	CDCD	
COc1ccc(CNCC(=O)NC(C)C)cc1C	35052735	WURCUAJEKDWSPJ-UHFFFAOYSA-N	250.342	1.618	10	20	CDCD	
COC(=O)[C@H]1C[C@H](O)CN1Cc1cccc(Cl)c1O	188613632	UREQYHPJCYFKLL-GXSJLCMTSA-N	285.727	1.154	10	20	CDCD	
CN(C)c1ccc(CN2CCN([C@@H]3CCNC3)CC2)cc1	314850429	VIZJYIYZDFRLSL-QGZVFWFLSA-N	288.439	1.232	10	20	CDCD	
Nc1ccc(CC(=O)N2C[C@@H]3CCC[C@H](N)[C@H]3C2)cc1	374597803	VCMVTHBFANYMER-QEJZJMRPSA-N	273.380	1.397	10	20	CDCD	
C[C@H](NC[C@H](C)N1CCN(C)CC1)c1cc(F)ccc1O	185366003	KUXINOKQIUPLFS-STQMWFEESA-N	295.402	1.818	10	20	CDCD	
COc1cccc(CNC(=O)C(=O)c2ccccc2)c1O	194477416	CQPWTGIHJAKHDQ-UHFFFAOYSA-N	285.299	1.900	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@]1(C)CCNC1	237085680	NSQBJHXEZVALMJ-MRXNPFEDSA-N	275.396	1.677	10	20	CDCD	
C[C@@H](CC(=O)NCCc1ccc(N)cc1)C1CCNCC1	237446706	YCTJHAMRUPEQEC-ZDUSSCGKSA-N	289.423	1.953	10	20	CDCD	
C[C@H](CNC(=O)Cc1ccc(N)cc1)Cn1cccn1	237418831	TZYSSVCFFCAGSU-GFCCVEGCSA-N	272.352	1.460	10	20	CDCD	
Nc1ccc(NC(=O)c2cccc(-n3cnnn3)c2)cc1	238035152	IANZKCIYLXFKOB-UHFFFAOYSA-N	280.291	1.497	10	20	CDCD	
CCN(CCCO)C(=O)NCc1ccc(N(C)C)cc1	266577930	ZNLWYJFMVIKWNT-UHFFFAOYSA-N	279.384	1.667	10	20	CDCD	
COC(=O)[C@H]1C[C@@H](OC)CCN1Cc1cc(C)ccc1O	360001061	UUEBECTUSZWAMS-UONOGXRCSA-N	293.363	1.853	10	20	CDCD	
CS(=O)(=O)Nc1ccc(O)c(-c2nc(C3CC3)no2)c1	273475060	RDWLWGAPCLONLA-UHFFFAOYSA-N	295.320	1.691	10	20	CDCD	
CC(C)(O)CCNCc1cc([N+](=O)[O-])ccc1O	274768700	QXGSWKVGRQQIPR-UHFFFAOYSA-N	254.286	1.551	10	20	CDCD	
CN(C[C@H]1CCS(=O)(=O)C1)c1ccc2c(c1)OCO2	279800572	WOZDZNUGYUEQPA-SNVBAGLBSA-N	283.349	1.286	10	20	CDCD	
CC(C)[C@@H](O)CN[C@H](C)c1cc([N+](=O)[O-])ccc1O	273574760	LPSRDAZEXADBJJ-RNCFNFMXSA-N	268.313	1.968	10	20	CDCD	
O=C([C@H]1CCN(Cc2ccccc2O)C1)N1CCCC1	377861498	RRCCDQSRESOPFN-AWEZNQCLSA-N	274.364	1.837	10	20	CDCD	
COCC[C@H]1COCCN1Cc1cc(C)ccc1O	291243689	LLNSBFLKDVJOEW-AWEZNQCLSA-N	265.353	1.938	10	20	CDCD	
COC[C@H](O)CN[C@H]1C[C@H](C)c2c(F)ccc(O)c21	802310478	VYIXYZHNQVHVBZ-NGZCFLSTSA-N	269.316	1.677	10	20	CDCD	
COCCNCCN[C@H](C)c1c(C)cc(C)cc1O	817964536	FAEOJZKJYOIBAY-CYBMUJFWSA-N	266.385	1.896	10	20	CDCD	
COc1ccc(N2CC[C@H](CN[C@@H](C)CCO)C2)cc1	818342237	NNVDYIHQZSXGLQ-UONOGXRCSA-N	278.396	1.882	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)C[C@@H]1CNCCO1	829764180	HFYNZFWANGZWCJ-OAHLLOKOSA-N	291.395	1.056	10	20	CDCD	
COC(=O)C1(C(=O)N[C@H](C)c2ccccc2O)CC1	827941504	SSTUQMGGCGWHEI-SECBINFHSA-N	263.293	1.523	10	20	CDCD	
COC[C@]1(CO)CCN(Cc2ccc(N(C)C)c(F)c2)C1	825158400	KLKKUAHKPYDUFC-MRXNPFEDSA-N	296.386	1.723	10	20	CDCD	
COCC(COC)OC(=O)/C=C/c1ccc(O)c(O)c1	909089917	SLVVGGMQLZJVJB-GQCTYLIASA-N	282.292	1.316	10	20	CDCD	
CN(C)c1ccc(CNCCCn2cncn2)cc1F	733324085	HVDFYGWVQMJFMZ-UHFFFAOYSA-N	277.347	1.663	10	20	CDCD	
OCCCN1CCC[C@H]1CN[C@H]1CCc2cccc(O)c21	834851270	WBTGTMCZIWTVGK-GJZGRUSLSA-N	290.407	1.816	10	20	CDCD	
CCCCOC(=O)CNC(=O)c1cc(O)cs1	732289428	QHBSEAPCZFHRIW-UHFFFAOYSA-N	257.311	1.527	10	20	CDCD	
C[C@@H]1COC[C@@H]1NC(=O)c1c(F)ccc(O)c1O	900676764	IHFDQIUYLPOYKD-SVRRBLITSA-N	255.245	1.002	10	20	CDCD	
CC1(C)COC(=O)[C@H]1NC(=O)/C=C\c1ccc(O)c(O)c1	837639591	YTTITCMHOMFJOJ-RYWCDNDXSA-N	291.303	1.179	10	20	CDCD	
O=S1(=O)CCN(c2ccc(CNCC3CC3)cc2)CC1	733330890	RQFFZVNFHXUKCX-UHFFFAOYSA-N	294.420	1.421	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CCN(C)C1	734468149	NZAHOVNFPQBMCY-AWEZNQCLSA-N	275.396	1.629	10	20	CDCD	
Cc1nc(C)c(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)[nH]1	907275567	WAMFJQOYSRXWHM-MRVPVSSYSA-N	289.335	1.799	10	20	CDCD	
C[C@@H](OC(=O)c1cc(O)cs1)C(=O)NC[C@@H]1CCCO1	734190406	WJPBSIGINMNUON-SCZZXKLOSA-N	299.348	1.294	10	20	CDCD	
CC1=C(C(=O)O)C[C@@H](CN(C)c2ccc3c(c2)OCO3)O1	833579127	ANEZRCHTRXZPDA-NSHDSACASA-N	291.303	1.999	10	20	CDCD	
CC(C)[C@H]1C(=O)NCCN1C(=O)c1cc(O)cs1	732285874	OCRBUUYODPQVPH-JTQLQIEISA-N	268.338	1.050	10	20	CDCD	
O=C1CNC(=O)N1CCCSc1nccs1	919676684	PBOWABWGUHCFLE-UHFFFAOYSA-N	257.340	1.177	10	20	CDCD	
C[C@@H]1CC[C@H](CNC(=O)C(=O)Nc2ccc(N)cc2)C1	841121523	VSVKLHIBMIXJLJ-MNOVXSKESA-N	275.352	1.760	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@H]2CCCNCC2)cc1F	846674294	WEYXNPYUZYLJKP-CYBMUJFWSA-N	293.386	1.898	10	20	CDCD	
Cc1cc(CN2CCOC[C@@H]2CC(=O)O)ccc1N(C)C	846271987	KNTUCSAZAOWTTG-AWEZNQCLSA-N	292.379	1.737	10	20	CDCD	
COC[C@H](C)S(=O)(=O)NCc1cc(Cl)ccc1O	845997828	HGBXEPKNKDHYKD-QMMMGPOBSA-N	293.772	1.500	10	20	CDCD	
CC(C)(C(=O)O)C(=O)NCc1cc(Cl)ccc1O	911331934	TWQDNUWUQPPOBT-UHFFFAOYSA-N	271.700	1.773	10	20	CDCD	
CS/C=C/C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1	843297340	HLYPPTNVPCPTOK-MMQHEFTJSA-N	279.409	1.745	10	20	CDCD	
C[C@H]1CCN[C@@H](C(=O)NCc2ccc(N(C)C)c(F)c2)C1	844177230	CPTIWISLQULOSB-SMDDNHRTSA-N	293.386	1.896	10	20	CDCD	
COc1cccc([C@@H](C)NCCN2CCOC[C@@H]2C)c1O	846143733	GKKKDPTZQCQVCE-QWHCGFSZSA-N	294.395	1.772	10	20	CDCD	
COc1cccc(O)c1CN[C@H]1CCc2c(nnn2C)C1	848566923	MFQNJGRAPWGLFE-JTQLQIEISA-N	288.351	1.176	10	20	CDCD	
N=C(NCc1ccc(N2CC=CC2)cc1)N1CCC1	849009823	SZORWCDNFYGGMY-UHFFFAOYSA-N	256.353	1.793	10	20	CDCD	
NC[C@@H]1CCCCN1C(=O)NCCc1ccc(N)cc1	841956093	VDLKBEZBRYSMGS-AWEZNQCLSA-N	276.384	1.334	10	20	CDCD	
C[C@@H]1CCN(C(=O)NCCc2ccc(N)cc2)C[C@H]1CO	857103192	DMIFYKDEWASYGU-OCCSQVGLSA-N	291.395	1.471	10	20	CDCD	
C[C@H]1CN(C(=O)c2cc(O)cs2)C[C@@]1(C)CO	856248665	OWLJGSYPXMNPKK-UFBFGSQYSA-N	255.339	1.544	10	20	CDCD	
CNC(=O)CCNCc1cc(OC)cc(C(C)(C)C)c1O	850078322	WEIKMWGCWHKXEA-UHFFFAOYSA-N	294.395	1.924	10	20	CDCD	
CCOc1ccc(O)c(CN[C@@H]2COC[C@@H]2C)c1	922641588	PCHRTVNFHYWRII-GXFFZTMASA-N	251.326	1.915	10	20	CDCD	
CC[C@@H](CO)N(C)CCN(C)c1ccc(OC)cc1	930852561	LIRPWTLOSAAIAN-ZDUSSCGKSA-N	266.385	1.834	10	20	CDCD	
CN1C(=O)C(=Cc2ccc3c(c2)ncn3C)C(=O)N(C)C1=O	761198246	YBHWRUAKTKVTBE-UHFFFAOYSA-N	298.302	1.007	10	20	CDCD	
Cc1ccc(C)n1-c1ccc(C(=O)N=c2nn[nH]n2C)cc1	779465915	AHMSETPZMOERBW-UHFFFAOYSA-N	296.334	1.292	10	20	CDCD	
Cc1ccc(CN2C[C@H](CO)OC(C)(C)C2)c(O)c1	877595242	WAIGHKFZEBAEDY-CYBMUJFWSA-N	265.353	1.672	10	20	CDCD	
Cc1ccn2cc(C(=O)NCc3ccc(O)c(O)c3)nc2c1	771814847	KBUQBLMFQUTHJJ-UHFFFAOYSA-N	297.314	1.984	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2Cc1cnc(N)cn1	873209379	LDBGWXPLEBDVSU-UHFFFAOYSA-N	285.351	1.524	10	20	CDCD	
COCCN1CC[C@@H](NCc2c(C)cccc2O)C1	877046386	MVNDQITYCDFELZ-CYBMUJFWSA-N	264.369	1.511	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NC[C@H]2C[C@H](O)C2)cc1	871750296	LCLGVTTYMGHGJB-MQMHXKEQSA-N	277.368	1.323	10	20	CDCD	
Oc1c(F)cc(F)cc1CNCc1nnc2n1CCC2	882885885	SJOMVQJUXBJVQW-UHFFFAOYSA-N	280.278	1.498	10	20	CDCD	
COc1cccc(CN2CC[C@H](C3OCCO3)C2)c1O	896384426	KJOUHTDBJIMIKR-LBPRGKRZSA-N	279.336	1.596	10	20	CDCD	
C/C=C/C[C@H](CO)NCc1ccc(OC)c(OC)c1O	893661837	SDFQUAKSKSBWSF-ZYOFXKKJSA-N	281.352	1.826	10	20	CDCD	
COc1cc(C)cc(CN[C@@H](C)C(=O)N(C)C)c1O	894554110	UMPNTQVWCMULEY-JTQLQIEISA-N	266.341	1.276	10	20	CDCD	
COC(=O)N1CC(NCc2cc(C)cc(OC)c2O)C1	894346627	VAKQSGSWMAHQCW-UHFFFAOYSA-N	280.324	1.249	10	20	CDCD	
CC[C@@H]1C(=O)NCCCN1Cc1cc(C)cc(OC)c1O	898548702	ZYAWKQIXCJKJGM-CYBMUJFWSA-N	292.379	1.810	10	20	CDCD	
COc1cc(CN2CC[C@@](C)(C(N)=O)C2)c(O)cc1C	794702192	FKATVURHOZBMFW-OAHLLOKOSA-N	278.352	1.407	10	20	CDCD	
Cc1ccc(C(=O)OCc2ccnc(N)c2)c(O)c1O	791814820	LHWRIXZLDIOFQJ-UHFFFAOYSA-N	274.276	1.740	10	20	CDCD	
CN1CCN(CCCN(C)Cc2ccccc2O)CC1	272721399	ZMMNEKGPZYZAMU-UHFFFAOYSA-N	277.412	1.462	10	20	CDCD	
CC(C)(CC(=O)O)NCc1cc([N+](=O)[O-])ccc1O	1326756240	HCCGTNIAZBUWOB-UHFFFAOYSA-N	268.269	1.643	10	20	CDCD	
CN1CCCc2cc(CNC(=O)NC/C=C\CO)ccc21	1327659296	AVSODCHDBWQVMQ-IHWYPQMZSA-N	289.379	1.417	10	20	CDCD	
C[S@@](=O)CCNCc1c(O)cccc1Br	706834341	XOXZOHLOXBQICB-OAHLLOKOSA-N	292.198	1.623	10	20	CDCD	
COc1ccc(N(C)CC(=O)N2CCNCC2)cc1Cl	1326583707	MUSFJAWUYXFMRC-UHFFFAOYSA-N	297.786	1.217	10	20	CDCD	
CCN1CC[C@H](N[C@@H](C)c2cc(OC)ccc2O)C1=O	708695611	KPMPLTUHUIIPPW-GWCFXTLKSA-N	278.352	1.672	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNC[C@@H](C)C(=O)O)c1O	1326836996	MSLCMCMWHVCLPG-SSDOTTSWSA-N	284.268	1.119	10	20	CDCD	
C[C@@H]1c2nncn2CCN1C(=O)NCc1ccc(N)cc1	1335724104	GNVAYICKCCXHKQ-SNVBAGLBSA-N	286.339	1.147	10	20	CDCD	
CN(C)C[C@@H]1CCN(C(=O)NCc2ccc(N)cc2)C1	1346739316	PQXXQNJLEUKQEG-ZDUSSCGKSA-N	276.384	1.362	10	20	CDCD	
Nc1ccc(CNC(=O)c2n[nH]c3c2CCC3)cc1	1524018026	IHVUJAWQAJORIT-UHFFFAOYSA-N	256.309	1.411	10	20	CDCD	
Cc1noc(C)c1CC(=O)NCc1cccc(O)c1O	1520501791	ODUDAIKQNWNMLT-UHFFFAOYSA-N	276.292	1.562	10	20	CDCD	
O=C(O)CC1(COC(=O)/C=C/c2ccc(O)c(O)c2)CC1	1608680424	BFMDPVDCKFWCKK-DUXPYHPUSA-N	292.287	1.909	10	20	CDCD	
O=C(O)[C@@H](CC1CCOCC1)NCc1ccccc1O	1601642347	GODUCZKLGSPYBZ-CYBMUJFWSA-N	279.336	1.752	10	20	CDCD	
C[C@H](CC(=O)O)NCc1cc([N+](=O)[O-])ccc1O	1609888891	UDLIJVRVXZVPAR-SSDOTTSWSA-N	254.242	1.253	10	20	CDCD	
COC(=O)c1c(CN2CCCN2)c2cc(F)ccc2n1C	1578851473	SELFXOOXWACHRF-UHFFFAOYSA-N	291.326	1.814	10	20	CDCD	
CSCC[C@@H](N)C(=O)N(C)Cc1ccc(N(C)C)cc1	130987482	WXNYDFDCLBHCHV-CQSZACIVSA-N	295.452	1.791	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCCCN1	37801145	RGUSBBRUDKSIAA-HNNXBMFYSA-N	275.396	1.853	10	20	CDCD	
C[C@H](CS(C)(=O)=O)N(C)Cc1cccc(Cl)c1O	180236739	VVBCTIXJMJTEQJ-SECBINFHSA-N	291.800	1.911	10	20	CDCD	
CN(C)c1ccc(CN2CC[C@H]3NCC[C@@H]3C2)cc1	312074871	JCIRISZGLDBBSY-GDBMZVCRSA-N	259.397	1.936	10	20	CDCD	
CCc1cccc(CNCCc2n[nH]c(C)n2)c1O	691459778	MIBBNHAFTYHSIM-UHFFFAOYSA-N	260.341	1.713	10	20	CDCD	
CN(Cc1cccc(Cl)c1O)[C@@H]1CCNC1=O	775745225	RVTZPZMMAJFMGP-SNVBAGLBSA-N	254.717	1.366	10	20	CDCD	
Cc1ccc(C(=O)NCCCC(C)(C)CO)c(O)c1O	179546864	YPXZZZUGGODUSA-UHFFFAOYSA-N	281.352	1.935	10	20	CDCD	
COc1cccc(CNC(=O)CC[C@@H]2CCOC2)c1O	176130769	KJRKATXZIANINT-LLVKDONJSA-N	279.336	1.834	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@H](C)SC)c1	114540499	RXKSJYPLLCJUNN-QMMMGPOBSA-N	255.339	1.769	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2CCCS(C)(=O)=O	119953737	SMBIKHRYIOMJCQ-UHFFFAOYSA-N	298.408	1.386	10	20	CDCD	
N#Cc1csc(C(=O)NCc2ccc(O)c(O)c2)c1	182548167	VGSDRXCEZQGXSV-UHFFFAOYSA-N	274.301	1.961	10	20	CDCD	
C[C@H](O)[C@@H]1CCN(C(=O)NCc2ccc(N(C)C)cc2)C1	181325578	LQZSAXOXGVGOAQ-GXTWGEPZSA-N	291.395	1.665	10	20	CDCD	
C[C@H](Sc1nccs1)C(=O)NC[C@H]1CCCO1	48874460	WMWBVFMFZZYTMW-DTWKUNHWSA-N	272.395	1.919	10	20	CDCD	
Oc1c(Br)cccc1CN1CCNCC1	96886589	BCPSGXRDUAIGCD-UHFFFAOYSA-N	271.158	1.560	10	20	CDCD	
COC[C@H](CCO)N[C@@H]1CCc2cccc(O)c21	297861585	UCSSRLKKWUBTCM-NWDGAFQWSA-N	251.326	1.367	10	20	CDCD	
CCOCCCNC(=O)NCc1ccccc1O	299539570	VFAVFGTZVNALCW-UHFFFAOYSA-N	252.314	1.618	10	20	CDCD	
COC(=O)[C@H]1CCC[C@@H](C(=O)NCc2ccccc2O)C1	267502997	JIHDBPNJCWEBAY-NEPJUHHUSA-N	291.347	1.988	10	20	CDCD	
Cc1ccc(C(=O)N2CC[C@@H]([C@H]3CCOC3)C2)c(O)c1O	368084683	HMFNBTGAPHZEDT-NEPJUHHUSA-N	291.347	1.905	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2CCC(C)(O)CC2)c1O	278178635	GQFULQVMNQDLSN-UHFFFAOYSA-N	296.323	1.656	10	20	CDCD	
CCOc1cc(O)ccc1NS(=O)(=O)CCOC	276943760	SHPXLPZGIALLNM-UHFFFAOYSA-N	275.326	1.179	10	20	CDCD	
O=C(NCc1ccccc1O)N[C@@H]1CCCOCC1	271906598	NZMIRFGDDWFKHU-GFCCVEGCSA-N	264.325	1.761	10	20	CDCD	
Cc1ccc(O)c(CN2CCn3cnnc3[C@H]2C)c1	276827091	QLRMMRCILGAXSH-LLVKDONJSA-N	258.325	1.869	10	20	CDCD	
CCOc1ccc(O)c(CN2CCOC[C@H]2C(=O)OC)c1	271213479	ZFNSJFWYPOFCJP-ZDUSSCGKSA-N	295.335	1.165	10	20	CDCD	
CC[C@@](C)(O)CN[C@@H](C)c1cc(C(=O)OC)ccc1O	273467258	FBNUZILNGAWLCF-ZUZCIYMTSA-N	281.352	1.990	10	20	CDCD	
CCOC(CCNC(=O)NCc1ccccc1O)OCC	276034136	DVCMNGAONWBWST-UHFFFAOYSA-N	296.367	1.981	10	20	CDCD	
CCCOc1ccc(CN(CC)[C@H]2CCNC2=O)c(O)c1	281640032	AMUHQNJYMWVYNM-AWEZNQCLSA-N	292.379	1.891	10	20	CDCD	
COC(=O)c1cnc(SC[C@H](O)COC(C)C)s1	295326101	OPOWFAACAKNTJO-MRVPVSSYSA-N	291.394	1.808	10	20	CDCD	
CC(=O)C(=O)CSc1nc2ccc(C)cc2c(=O)n1C	808023595	PXDHTIZCYRDFRW-UHFFFAOYSA-N	290.344	1.492	10	20	CDCD	
Cc1nonc1CNCc1cc2c(cc1O)OCO2	809744703	YZKNRVMOGZPXEH-UHFFFAOYSA-N	263.253	1.102	10	20	CDCD	
CNC(=O)[C@H](CCSC)NCc1ccccc1O	808436750	BWACYLBWVRGNBG-NSHDSACASA-N	268.382	1.350	10	20	CDCD	
CC(=O)C(=O)COC(=O)c1ccnc2ccccc12	808492323	YMYTZEJNOBROSG-UHFFFAOYSA-N	257.245	1.550	10	20	CDCD	
C[C@H](NCCCN1CCNCC1)c1cc(Cl)ccc1O	817937548	XQBGEBMODWLWOG-LBPRGKRZSA-N	297.830	1.992	10	20	CDCD	
N[C@@H]1C[C@@H]1C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	818208480	ISNMWWWSYMWJHT-HZSPNIEDSA-N	290.363	1.247	10	20	CDCD	
COc1cccc(CNC(=O)N[C@H]2C=CCC2)c1O	821081262	ZBJLHPBKHLSHAJ-NSHDSACASA-N	262.309	1.919	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@H]2C[C@H]3CC[C@H]2O3)c1	734016744	CILGFRCWJHUXMP-MBNYWOFBSA-N	277.320	1.585	10	20	CDCD	
CC(C)N1CC[C@@H](CNC(=O)c2cc(O)cs2)C1	731871251	HYNHZXKTSRCCFF-JTQLQIEISA-N	268.382	1.914	10	20	CDCD	
CO[C@H](C)CC(=O)NC[C@@H](N)c1ccc(N(C)C)cc1	832282007	XFWKUIQJBDQZAP-BXUZGUMPSA-N	279.384	1.294	10	20	CDCD	
O=C(COCC1CCCC1)NCc1ccc(O)c(O)c1	836778368	FUPAQHUIAIZHPW-UHFFFAOYSA-N	279.336	1.921	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)NC[C@@H]2CCN2C)c1	903318010	OGCQQGQMICWKMR-PWSUYJOCSA-N	278.352	1.534	10	20	CDCD	
O=C1CCN(C(=O)c2cccc(O)c2O)C2(CCC2)C1	911998586	IWYMJDWJIFXWQU-UHFFFAOYSA-N	275.304	1.826	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)c1cnn2c1CCC2	910945812	ZHROZZRNKXORPE-UHFFFAOYSA-N	273.292	1.171	10	20	CDCD	
CN(C)c1ccc(CN(CC(N)=O)C2CCCC2)cc1	746153096	QAZPEWYURLUFLI-UHFFFAOYSA-N	275.396	1.983	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)N[C@H]1CCNC1	841938680	GUBHSRKYYQBXCO-ZDUSSCGKSA-N	277.368	1.676	10	20	CDCD	
COCC[C@H](C)S(=O)(=O)NCCc1ccc(N)cc1	842823280	RAXKGRUZFSWXPE-NSHDSACASA-N	286.397	1.156	10	20	CDCD	
CCOc1ccc(CNC[C@@]2(COC)CCCN2)c(O)c1	841067223	LHKKLPVKCOSEJR-MRXNPFEDSA-N	294.395	1.649	10	20	CDCD	
CC(C)[C@H](N)CNCc1ccc(N2CCOCC2)cc1	841029927	OYEUJFUADWZJBY-MRXNPFEDSA-N	277.412	1.596	10	20	CDCD	
O=C(C[C@@H]1CCCC(=O)N1)NCc1cc(Cl)ccc1O	846475219	ADDSQHXDVJRRKI-NSHDSACASA-N	296.754	1.721	10	20	CDCD	
COc1ccc(O)c([C@H](C)Nc2nccn(C)c2=O)c1	742402859	ZFOJSOASLBTPRZ-VIFPVBQESA-N	275.308	1.668	10	20	CDCD	
C[C@H](CCN)NCc1cc(Cl)cc([N+](=O)[O-])c1O	841052482	YUHHHAJLZBVXKZ-SSDOTTSWSA-N	273.720	1.781	10	20	CDCD	
CCc1cccc(CN2CCNC(=O)[C@H]2CC)c1O	848886676	VMCVDVDLBWVYSD-CYBMUJFWSA-N	262.353	1.665	10	20	CDCD	
COc1ccc(O)c(CN[C@@H]2CCN(CC(F)F)C2)c1	841894826	WSTGUCBKPIXKKI-LLVKDONJSA-N	286.322	1.830	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N2CCC[C@@H](CN)C2)cc1	841653168	HOKHPWJWCYLQHQ-AWEZNQCLSA-N	290.411	1.633	10	20	CDCD	
CC[C@H]1CN(C(=O)C(=O)Nc2ccc(N)cc2)CCS1	841053180	NAEJEXHMQVATPZ-LBPRGKRZSA-N	293.392	1.561	10	20	CDCD	
CCC(CC)[C@H](O)CNC(=O)C(=O)Nc1ccc(N)cc1	841037701	SPSAYNITBKPIAN-CYBMUJFWSA-N	293.367	1.121	10	20	CDCD	
COCCN(C)CCN[C@H](C)c1cc(F)cc(F)c1O	756525378	BKHISYNJAJGLFY-SNVBAGLBSA-N	288.338	1.899	10	20	CDCD	
O=C1NCCc2ccc(CNCc3ccccc3O)cc21	757942498	IWUHOPJTBYJKJS-UHFFFAOYSA-N	282.343	1.968	10	20	CDCD	
COc1ccc(N(C)C[C@@H]2CCC(=O)O2)cc1F	851807863	IGQQPCYIPYGLHN-JTQLQIEISA-N	253.273	1.976	10	20	CDCD	
CC[C@]1(O)CCN(Cc2cccc(OC)c2O)C1	779217689	UXUCSYMMQIADPV-AWEZNQCLSA-N	251.326	1.748	10	20	CDCD	
CC[C@]1(O)CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1	870680811	NDZMTHMHMQOIGS-YERXGYGTSA-N	291.347	1.875	10	20	CDCD	
O=C1NC(=O)/C(=C/c2cc(F)c(O)c(F)c2)S1	874928797	SZRWQMYBINQIKO-CLTKARDFSA-N	257.217	1.994	10	20	CDCD	
CC(C)C1(O)CN(C(=O)NCc2ccc(N)cc2)C1	1120676811	CXGNPAHSXZBOPK-UHFFFAOYSA-N	263.341	1.181	10	20	CDCD	
COC(=O)[C@@H](C)CN(C)Cc1cc(F)cc(F)c1O	893994171	BHEFASBZHQFPBX-QMMMGPOBSA-N	273.279	1.911	10	20	CDCD	
C[C@H]1OC(=O)N[C@@H]1C(=O)NCc1ccc(N(C)C)c(F)c1	788531349	SGMQDYGXXBFTKW-PELKAZGASA-N	295.314	1.005	10	20	CDCD	
COc1ccc(CNCCC[C@@H](C)O)c(O)c1OC	894108023	OZYCBPMFAZTDCQ-SNVBAGLBSA-N	269.341	1.660	10	20	CDCD	
CC[C@H](NCc1nnn(C)n1)c1cc(Cl)ccc1O	787042978	QSWNPYSPJIDFST-JTQLQIEISA-N	281.747	1.810	10	20	CDCD	
CCN(CCC(=O)NC)Cc1ccc(N(C)C)c(F)c1	897709937	LZMJXXOHHZHHEE-UHFFFAOYSA-N	281.375	1.850	10	20	CDCD	
O=C1OCC[C@]12CCCN2Cc1cc(F)cc(F)c1O	894496889	GXRYMVJKCZKNME-CQSZACIVSA-N	283.274	1.952	10	20	CDCD	
COc1ccc(CNC(=O)NC[C@]2(C)CCOC2)c(O)c1	792936225	NDWNMAOQRLBWBK-HNNXBMFYSA-N	294.351	1.627	10	20	CDCD	
Cc1nnc(N(C)C(=O)c2ccc(C)c(O)c2O)s1	794027801	WFRXHONDISRDCY-UHFFFAOYSA-N	279.321	1.843	10	20	CDCD	
CN1C[C@@H](NC(=O)c2ccc(CN=[N+]=[N-])o2)CC1=O	1537962391	GOVPYYPKWQKHRX-ZETCQYMHSA-N	263.257	1.050	10	20	CDCD	
COCCN(C)CCN[C@H](C)c1ccc(F)cc1O	62748514	PYHANWZERJTLHB-LLVKDONJSA-N	270.348	1.760	10	20	CDCD	
O=C(O)C[C@]1(NCc2ccccc2O)CCCOC1	1334769086	UDNKOGJLBRCPPO-CQSZACIVSA-N	265.309	1.506	10	20	CDCD	
Cc1cc(CNC(=O)c2cccc(O)c2O)oc1C(=O)O	1600202491	OVSCAHSOHQDFLP-UHFFFAOYSA-N	291.259	1.627	10	20	CDCD	
CS(C)(=O)=NC(=O)CSc1ncc(C(=O)O)s1	1607387310	GFNVQNZTFZCMTB-UHFFFAOYSA-N	294.379	1.188	10	20	CDCD	
CCOC(=O)N1CCN(Cc2ccccc2O)CC1	27838584	SYCLNFVCMHPSFR-UHFFFAOYSA-N	264.325	1.666	10	20	CDCD	
C[C@@H](N[C@H]1C[C@@](C)(O)C1)c1cccc(-c2nn[nH]n2)c1O	1589978355	OEGZTOWGBOFIDS-NUPCCRGMSA-N	289.339	1.136	10	20	CDCD	
CCc1cccc(CN2CCO[C@H](C(=O)O)C2)c1O	1593642546	SWYVUBYFGMWUEZ-LBPRGKRZSA-N	265.309	1.240	10	20	CDCD	
C[C@@H]1CCN2[C@@H](C1)C(=O)N[C@@H]2c1cc(C(=O)O)ccc1O	1594439948	YXWJQOMHTWPZTR-WLTAIBSBSA-N	290.319	1.319	10	20	CDCD	
O=C(Nc1cccc(-c2nn[nH]n2)c1)c1cccc(O)c1O	1593242281	PEWKPUJLAGXWTN-UHFFFAOYSA-N	297.274	1.530	10	20	CDCD	
Nc1ccc(CC(=O)N[C@@H]2CCN3CCC[C@H]3C2)cc1	250235831	DLJWJQRWSLNBRF-CABCVRRESA-N	273.380	1.554	10	20	CDCD	
CCOC(=O)[C@H](NC(=O)Cc1ccc(N)cc1)[C@@H](C)CC	161504337	XZGKONIBZRKRDC-XHDPSFHLSA-N	292.379	1.905	10	20	CDCD	
Cc1nn(C)c(C)c1S(=O)(=O)NCc1ccccc1O	158577049	VLQPYANDPRDTQS-UHFFFAOYSA-N	295.364	1.221	10	20	CDCD	
CCCNC(=O)[C@@H](C)N[C@@H](C)c1cc(OC)ccc1O	36959687	HMTMSHSYJXZWAS-WDEREUQCSA-N	280.368	1.966	10	20	CDCD	
Nc1ccc(CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)cc1	37815368	GZARIOQZKJRPFU-LSDHHAIUSA-N	274.364	1.981	10	20	CDCD	
Cc1cccc(CNC(C)(C)CN2CCOCC2)c1O	308639400	KEHNXVODJCUOLF-UHFFFAOYSA-N	278.396	1.901	10	20	CDCD	
CCc1cccc(CN[C@@H]2CCCCNC2=O)c1O	691523422	OUYCYOKSKWAYNQ-CYBMUJFWSA-N	262.353	1.713	10	20	CDCD	
Cc1ccc(O)c(CN2CCC[C@H]2C(=O)NC2CC2)c1	179490283	SCOAMNKPHGXDSC-AWEZNQCLSA-N	274.364	1.944	10	20	CDCD	
C[C@H](CC(=O)O)CC(=O)N(C)Cc1ccccc1O	61836736	KOGUNYTYVVRQEZ-JTQLQIEISA-N	265.309	1.852	10	20	CDCD	
Cc1ccc(C(=O)NC2CCN(C)CC2)c(O)c1O	177664350	IRSUONIEKSDDQH-UHFFFAOYSA-N	264.325	1.230	10	20	CDCD	
C[C@@H](CN1CCOCC1)NCc1ccccc1O	36932839	VFNAWOLCRQTDRF-LBPRGKRZSA-N	250.342	1.203	10	20	CDCD	
CN(C)c1ccc(CN2CCO[C@H](C(=O)O)C2)cc1	86804929	AOFOOOQMJJGJLN-ZDUSSCGKSA-N	264.325	1.038	10	20	CDCD	
CN1CC[C@@H](C(=O)N2CCOc3cc(N(C)C)ccc32)C1	525217640	JQHLMCSCXMERRX-GFCCVEGCSA-N	289.379	1.430	10	20	CDCD	
COc1ccc(O)c(CN[C@@]2(CCO)CCOC2)c1	278590056	DUFMYDHILRGYLL-AWEZNQCLSA-N	267.325	1.032	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)NC[C@H]2CC[C@H](O)C2)c1	276618436	MEAHIUMBQLTZJY-GVXVVHGQSA-N	293.363	1.990	10	20	CDCD	
C[C@@H]1CN(C(=O)c2c(F)ccc(O)c2O)CCO1	276739959	UWPCJNXOCCWNNK-SSDOTTSWSA-N	255.245	1.098	10	20	CDCD	
COc1cccc(CNC(=O)[C@@H]2CCO[C@@H](C)C2)c1O	271858954	LDGQSKUCTPUWBG-WDEREUQCSA-N	279.336	1.832	10	20	CDCD	
COc1cccc(CNC(=O)[C@H](O)C(C)C)c1O	286852712	XDKIQOUPNJBDOR-LLVKDONJSA-N	253.298	1.034	10	20	CDCD	
COc1ccc(CNC(=O)OC[C@@H]2CCCO2)c(O)c1	805085366	HBCBDAXNGLLVDD-LBPRGKRZSA-N	281.308	1.806	10	20	CDCD	
COC(=O)c1cnc(SCCCS(C)(=O)=O)s1	294903116	ARKNMPKHPBQYLR-UHFFFAOYSA-N	295.407	1.457	10	20	CDCD	
C[C@@H](CC(N)=O)NCc1cc(Cl)c(F)cc1O	816557205	HQUJOZSWQLTRQF-LURJTMIESA-N	260.696	1.538	10	20	CDCD	
CCOc1ccc(O)c(CN2CC[C@@H](NC(C)=O)C2)c1	817412866	PUYNDOGADBJTDK-CYBMUJFWSA-N	278.352	1.501	10	20	CDCD	
C[C@H]1C[C@@H](NCC2CNC2)c2c(O)ccc(F)c21	817964883	IKTYNUGAHUVLFV-GZMMTYOYSA-N	250.317	1.889	10	20	CDCD	
Cc1cc(CN2CCc3nn[nH]c3C2)ccc1N(C)C	815100808	VFOXGJFHKUYJAF-UHFFFAOYSA-N	271.368	1.737	10	20	CDCD	
CNC(=O)CCCN1CCN(c2ccc(OC)cc2)CC1	821387144	QIZQHSOYMACRJI-UHFFFAOYSA-N	291.395	1.343	10	20	CDCD	
CC[C@H](C)[C@H](NC(=O)c1cc(O)cs1)C(=O)O	820449216	QOCYJEGIOVQZTJ-RCOVLWMOSA-N	257.311	1.683	10	20	CDCD	
CC[C@H]1CN(C(=O)c2c(F)ccc(O)c2O)C[C@@H]1O	827487545	WROHVYBBUOMEPZ-XVKPBYJWSA-N	269.272	1.080	10	20	CDCD	
COc1ccc(CNC(=O)[C@@H](C)[C@H](C)N)c(O)c1	832178805	XJZGPYNBXTZVPG-IUCAKERBSA-N	252.314	1.000	10	20	CDCD	
CC(C)OC(=O)CCCNC(=O)Cc1ccc(N)cc1	831975148	IUIUPMFJXKRRAQ-UHFFFAOYSA-N	278.352	1.659	10	20	CDCD	
CN(C)c1ccc(/C=C\CN2CCO[C@@H](C(=O)O)C2)cc1	901488681	DWHQAIPMQXGBIF-ABCZVMIZSA-N	290.363	1.551	10	20	CDCD	
CO[C@H](C)CCC(=O)NC[C@H](N)c1ccc(N(C)C)cc1	832285763	UCYHNZRDJYDZIE-DOMZBBRYSA-N	293.411	1.684	10	20	CDCD	
OCCn1cc(N[C@H]2CCc3cccc(O)c32)cn1	834733388	HDPMZUBRIJPOQZ-LBPRGKRZSA-N	259.309	1.680	10	20	CDCD	
CN[C@H]1CCN(Cc2cccc(Br)c2O)C1	843044820	KFRIIOAUMKAZEZ-JTQLQIEISA-N	285.185	1.948	10	20	CDCD	
O=C1COc2cc(C(=O)NCc3ccccc3O)ccc2N1	748346107	MTOAORBUHIRJSH-UHFFFAOYSA-N	298.298	1.653	10	20	CDCD	
COc1ccc(O)c(CN[C@H]2CCNC2(C)C)c1	841085427	CDJQFEYKDUADEL-ZDUSSCGKSA-N	250.342	1.631	10	20	CDCD	
C[C@H](NCc1cc2c(cc1O)OCO2)[C@H]1CCCNC1	841032742	GDEYTIDEZNGSMW-QWRGUYRKSA-N	278.352	1.599	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)c1cnn2cccnc12	917311059	YETHNWYAFPOVES-UHFFFAOYSA-N	282.303	1.707	10	20	CDCD	
O=C(NC[C@H](O)c1ccsc1)c1cc(O)cs1	740114176	LTVOGXGOGJJJGW-VIFPVBQESA-N	269.347	1.979	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)N[C@H](C)CN)cc1	841718244	QCSCXPMGHMUZGV-GFCCVEGCSA-N	278.400	1.679	10	20	CDCD	
CCNC(=N)NCc1ccc(N2CCSCC2)cc1	848993523	DEZYWVRJSDADCU-UHFFFAOYSA-N	278.425	1.874	10	20	CDCD	
CN(Cc1ccccc1O)C(=S)NC[C@H]1CCOC1	749697421	YZMZWZMRPXFTLO-LLVKDONJSA-N	280.393	1.735	10	20	CDCD	
CO[C@@H]1CCC[C@@H]1CNC(=O)NCCc1ccc(N)cc1	841867203	LWYQDRYFXYTACR-UKRRQHHQSA-N	291.395	1.926	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2cc(CO)on2)cc1F	748041767	BUKBLIAJSRDQQH-UHFFFAOYSA-N	293.298	1.302	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)N[C@H]1CC[C@@H](CN)C1	842010858	OTLAGWOVUJXZCW-YPMHNXCESA-N	277.368	1.661	10	20	CDCD	
CCn1ccc(CC(=O)NCc2ccc(N(C)C)cc2)n1	844308362	XGDUVZAULHTCNA-UHFFFAOYSA-N	286.379	1.828	10	20	CDCD	
COC(=O)[C@H]1CN(C)CCN(Cc2cccc(C)c2O)C1	840959495	WSACEUQDZDWIFU-AWEZNQCLSA-N	292.379	1.237	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NCC2(CC(N)=O)CC2)c1	858549456	WXDCPNGXJZJJEC-UHFFFAOYSA-N	291.351	1.155	10	20	CDCD	
Cn1nnc2c1CC[C@@H](NCc1ccc3c(c1)CCCO3)C2	922227028	SMBWTFGUGRUUNK-CQSZACIVSA-N	298.390	1.787	10	20	CDCD	
CC(C)(C(N)=O)C(=O)NCCCSc1nccs1	767923129	WKYAYVHYSYCBBH-UHFFFAOYSA-N	287.410	1.253	10	20	CDCD	
C[C@H](NC(=O)N[C@H](C)c1ccccc1O)c1ncn(C)n1	868522212	BQKOECCGEDAMJG-ZJUUUORDSA-N	289.339	1.642	10	20	CDCD	
CNS(=O)(=O)C[C@H]1CCCN1Cc1cc(C)ccc1O	769534690	YSWJQOOXXHPMQO-CYBMUJFWSA-N	298.408	1.214	10	20	CDCD	
Nc1ccc(CCNC(=O)N2CCO[C@@H]3CCC[C@@H]32)cc1	861640793	OJWJTWYPSWFYQI-LSDHHAIUSA-N	289.379	1.774	10	20	CDCD	
O=C1C[C@@H](NCc2ccc3c(c2)CCO3)CCCN1	876995567	GPSCMZPVZWFYFM-ZDUSSCGKSA-N	260.337	1.380	10	20	CDCD	
CC[C@]1(O)CCCN(C(=O)c2cc(O)cs2)C1	870679800	POXQNGAXDUPECG-LBPRGKRZSA-N	255.339	1.831	10	20	CDCD	
O=C(Nc1c(Cl)ccc2nonc12)c1cncnc1	1117507327	IARDPYZMLJQQFT-UHFFFAOYSA-N	275.655	1.919	10	20	CDCD	
Cc1ccc(C(=O)NOCc2cccnc2)c(O)c1O	770501498	NHHIPKNJUCFCET-UHFFFAOYSA-N	274.276	1.663	10	20	CDCD	
CC(C)CN1CCN(C(=O)c2cc(O)cs2)CC1=O	779465721	YXXGJCCGIFMBPK-UHFFFAOYSA-N	282.365	1.394	10	20	CDCD	
Cc1noc([C@H](C)NC(=O)c2ccc(C)c(O)c2O)n1	780922963	ZURWEHBIBNKEQB-ZETCQYMHSA-N	277.280	1.589	10	20	CDCD	
COC[C@H](CNCc1cc(Cl)cc(F)c1O)OC	781529899	SEFIKMRUJSBLJM-JTQLQIEISA-N	277.723	1.936	10	20	CDCD	
CSC1(C(=O)NCc2ccc(O)c(O)c2)CCC1	787451648	XGRNCUODSUMVKD-UHFFFAOYSA-N	267.350	2.000	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H](CCO)C2CC2)c(O)c1O	780984599	QPHGJXOPQHOETO-NSHDSACASA-N	265.309	1.297	10	20	CDCD	
COCCN(CCO)Cc1cc(C)cc(OC)c1O	893996215	VUZWNJIGCUIERR-UHFFFAOYSA-N	269.341	1.150	10	20	CDCD	
Cc1ccc(O)c(CN2[C@@H](C)[C@@H](C)NC(=O)[C@H]2C)c1	895118073	ZDFHWBWIELYTMI-GRYCIOLGSA-N	262.353	1.798	10	20	CDCD	
CC[S@](=O)CCNCc1cc(C)cc(OC)c1O	894259902	IDMBPEUGIPOGRD-SFHVURJKSA-N	271.382	1.567	10	20	CDCD	
CCOc1ccc(CN2CC(=O)N(C3CC3)C2)c(O)c1	790943386	SOAQYNQBHANVDU-UHFFFAOYSA-N	276.336	1.555	10	20	CDCD	
C[C@]1(C(=O)O)CCN(Cc2cc(F)cc(F)c2O)C1	708215953	OJNNNCBOIMQHFR-ZDUSSCGKSA-N	271.263	1.967	10	20	CDCD	
Cc1nc([C@H](C)NC(=O)/C=C/c2ccc(O)c(O)c2)no1	1320757258	VVHOGKHZCQZRKA-JQTRYQTASA-N	289.291	1.680	10	20	CDCD	
CN[C@H](C)CCNCc1ccc(N2CCN(C)CC2)cc1	1331419294	PSPFIKVSVFHCTE-OAHLLOKOSA-N	290.455	1.526	10	20	CDCD	
C[C@H]1[C@H](C)S(=O)(=O)CCN1Cc1ccc(N)cc1	1334754269	NUSPVPZCXRJQPF-QWRGUYRKSA-N	268.382	1.276	10	20	CDCD	
CC(C)(C)C[C@H](O)CNC(=O)NCc1ccc(N)cc1	1262603781	VAZVPSXDUJFLDN-ZDUSSCGKSA-N	279.384	1.865	10	20	CDCD	
COCC1CN(C(=O)NCc2ccc(N(C)C)c(F)c2)C1	1346163572	HBXFCOHOBXUVCR-UHFFFAOYSA-N	295.358	1.680	10	20	CDCD	
CN(CC1(N(C)C)CCC1)C(=O)NCc1ccc(N)cc1	1357791768	PIMAVDKJGXTIAC-UHFFFAOYSA-N	290.411	1.895	10	20	CDCD	
Cc1ccc(C(=O)N2CCC[C@@]2(C)C(=O)O)c(O)c1O	1607729459	WYGMGJNCABOMEM-AWEZNQCLSA-N	279.292	1.486	10	20	CDCD	
O=C(O)[C@@H]1C[C@H](O)CN1Cc1cc(Cl)c(F)cc1O	1601770788	BRXXYVUEUFJKTM-XVKPBYJWSA-N	289.690	1.205	10	20	CDCD	
Cc1nnc(Sc2ncc(C(=O)O)s2)nc1C	1610574042	JYKVNZHIARFKQC-UHFFFAOYSA-N	268.323	1.794	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](C)CC(=O)O	1594311933	RBARRIIZFVWQNG-LLVKDONJSA-N	293.367	1.723	10	20	CDCD	
CN(C)c1ccc(OCCc2cnn(C)c2)cc1C(=O)O	1598328433	LVZSTNWFHHWKHG-UHFFFAOYSA-N	289.335	1.806	10	20	CDCD	
C[C@H](CCO)N(C)c1ccc(/C=C/C(=O)O)cc1[N+](=O)[O-]	1592530550	USGHLVMDQHNUPB-DFVUYQKZSA-N	294.307	1.900	10	20	CDCD	
NC(=O)[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	155043558	WLKCEYUXPCSTPR-VIFPVBQESA-N	268.744	1.743	10	20	CDCD	
C[C@@H](NC(=O)CCn1cncn1)c1ccccc1O	827923032	IEWPLDBVXIQFLB-SNVBAGLBSA-N	260.297	1.251	10	20	CDCD	
CCN(C(=O)Cc1ccc(N)cc1)[C@@H]1CCCNC1	1122610067	QBTKLRMAIFGINA-CQSZACIVSA-N	261.369	1.412	10	20	CDCD	
CCOc1cccc(CN(C)[C@@H]2CCNC2=O)c1O	770384873	ZPOTYCUSBPJFQI-LLVKDONJSA-N	264.325	1.111	10	20	CDCD	
C[C@@H](NC(=O)[C@H]1C[C@H]2CC[C@H]1NC2)c1ccccc1O	870987708	AXZFKPVAZMSDDT-MHDGFBEUSA-N	274.364	1.958	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2cnns2)c1	170900667	QWHUZJXHMYVESF-SSDOTTSWSA-N	279.321	1.743	10	20	CDCD	
COc1ccc(O)c(CNS(=O)(=O)CC(C)C)c1	119828797	WYIUYBFRVPLWPW-UHFFFAOYSA-N	273.354	1.476	10	20	CDCD	
Cc1cc(F)ccc1NC=C1C(=O)N(C)C(=O)N(C)C1=O	60864153	BMPLSNQUKXPWSC-UHFFFAOYSA-N	291.282	1.480	10	20	CDCD	
Cc1ccc(C(=O)NCC(=O)C(C)(C)C)c(O)c1O	182947301	SWIDKLGZQSZGOR-UHFFFAOYSA-N	265.309	1.751	10	20	CDCD	
CCCNC(=O)CN(C)c1cc(OC)c(OC)c(OC)c1	125725968	VAZVYSRMRVDXPU-UHFFFAOYSA-N	296.367	1.675	10	20	CDCD	
COC[C@@H](CCO)NCc1ccc(OC)c(C)c1	219140466	NCGJPLSGEUFZMG-CYBMUJFWSA-N	253.342	1.491	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)c1ccc([N+](=O)[O-])s1	182525259	FXJUITBCXUDCEC-UHFFFAOYSA-N	294.288	1.998	10	20	CDCD	
COC(=O)C[C@@H](C)C(=O)NCc1ccc(N(C)C)cc1C	133932952	HGQPWLJFDJSZLJ-GFCCVEGCSA-N	292.379	1.876	10	20	CDCD	
CCCN(Cc1ccccc1O)[C@@H]1CCN(C)C1=O	174372152	TVAAADMGHAVHCZ-CYBMUJFWSA-N	262.353	1.835	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2nnc(C)s2)c1	185437585	SZWWDDVDSYFSGQ-UHFFFAOYSA-N	279.321	1.491	10	20	CDCD	
COc1ccc(O)c(CN(C)C[C@@H]2CCN(C(C)=O)C2)c1	180784133	OCTWPPASZMJLMP-ZDUSSCGKSA-N	292.379	1.701	10	20	CDCD	
C[C@@H]1CCN(Cc2ccc(N3CCOCC3)cc2)[C@@H]1CO	191185345	IKMCRKKKGMJBRZ-RHSMWYFYSA-N	290.407	1.726	10	20	CDCD	
COCCOC[C@H]1CCN(Cc2ccccc2O)C1	179581589	KYKXWYDOUNANRO-ZDUSSCGKSA-N	265.353	1.877	10	20	CDCD	
CCOc1ccc(O)c(CN2CC[C@@H](CO)C2)c1	92764667	QXUOXLWZAQPPJY-LLVKDONJSA-N	251.326	1.605	10	20	CDCD	
COCCOC[C@H]1CCN(C(=O)c2cccc(O)c2O)C1	274969016	NBPUKBGVSMHCLP-NSHDSACASA-N	295.335	1.223	10	20	CDCD	
Cc1cc(C(=O)NCc2ccc(O)c(O)c2)c(C)n1C	272390652	XQKQAIPWFPDPOC-UHFFFAOYSA-N	274.320	1.983	10	20	CDCD	
CC(C)[C@H](CCO)NC(=O)/C=C/c1ccc(O)c(O)c1	272360854	BNMKAKRWFDTBQR-FUEXJSSKSA-N	279.336	1.634	10	20	CDCD	
CN(C)c1ccc(CN2CC[C@](C)(O)C2)cc1F	271235206	WJGZXJZHPRNOIE-AWEZNQCLSA-N	252.333	1.848	10	20	CDCD	
COCCOC[C@H](O)CN(C)c1ccc(OC(C)C)cc1	296071936	RYKAITVPCUNGEU-OAHLLOKOSA-N	297.395	1.934	10	20	CDCD	
CN(C)c1ccc(CN2CC(CC(N)=O)C2)cc1F	297428704	OGDDTGHUYWZBKJ-UHFFFAOYSA-N	265.332	1.199	10	20	CDCD	
O=C(N[C@H]1CCO[C@H](C2CC2)C1)c1c(F)ccc(O)c1O	296390782	UXJTUNKRZYTDPP-CABZTGNLSA-N	295.310	1.924	10	20	CDCD	
O=C(OCc1ncnn1CCF)c1cccc(O)c1O	801311326	IKWWCGBSNLUOAV-UHFFFAOYSA-N	281.243	1.016	10	20	CDCD	
CN(C)c1ccc(Cn2c(-c3cnccn3)noc2=O)cc1	814748521	IOGBHWVSVVBKIM-UHFFFAOYSA-N	297.318	1.408	10	20	CDCD	
C[C@H]1C[C@@H](C)[C@@H](CN)CN1Cc1cc2c(cc1O)OCO2	817864845	DVDKCQBQSNGVOB-MDZLAQPJSA-N	292.379	1.926	10	20	CDCD	
C[C@H](NC(=O)c1ncn(C)n1)c1ccc(N(C)C)cc1	810687710	WNEZBESMPLVINP-JTQLQIEISA-N	273.340	1.372	10	20	CDCD	
CC[C@@H](NC[C@@H]1CNCCO1)c1ccccc1O	817982540	DZMQYRSDBGJOEE-WCQYABFASA-N	250.342	1.421	10	20	CDCD	
C[C@@H](NC[C@@H]1C[C@H](F)CN1)c1cc(F)ccc1O	817976780	TXEZGJHKZYHIFI-MIMYLULJSA-N	256.296	1.882	10	20	CDCD	
O=C(O)C1CCN(Cc2cc3c(cc2O)OC[C@H]3O)CC1	821511346	INMRYLLNXANCLW-CYBMUJFWSA-N	293.319	1.115	10	20	CDCD	
CSC[C@@H](C)C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1	832274584	WBCFGSBHODQTTH-BXUZGUMPSA-N	295.452	1.868	10	20	CDCD	
Cc1ccc(C(=O)NC2CCN(C(=O)O)CC2)c(O)c1O	830211229	KKCHYLFLQBUTFN-UHFFFAOYSA-N	294.307	1.278	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@@H](C)n2cccn2)c1	734015036	VLOVYFIDSFLVEZ-SNVBAGLBSA-N	275.308	1.475	10	20	CDCD	
C[C@@H](NC(=O)NCc1ccccc1O)c1ccn(C)n1	838061746	PLUYUBUYXKBFAK-SNVBAGLBSA-N	274.324	1.686	10	20	CDCD	
CCNC(=O)C(C)(C)NCc1cc(F)cc(C(C)=O)c1O	839130753	XSHKRKRAOWBINP-UHFFFAOYSA-N	296.342	1.738	10	20	CDCD	
CN(C)c1ccc([C@@H](N)CNC(=O)[C@H]2CCCO2)cc1	832266240	DLARDBHNPXOOLD-UONOGXRCSA-N	277.368	1.048	10	20	CDCD	
CC[C@@H](O)[C@@H](C)C(=O)N[C@H](C)c1ccccc1O	913763700	OQBPXUMGQNOWFP-CKYFFXLPSA-N	251.326	1.976	10	20	CDCD	
CCNCCCNC(=O)N[C@H](C)c1cc(OC)ccc1O	841917419	MWIRISRMTWWPTP-LLVKDONJSA-N	295.383	1.761	10	20	CDCD	
CSCC[C@@H](O)C(=O)NCc1cc(Cl)ccc1O	846473071	IJNWTFAPKHNGBM-LLVKDONJSA-N	289.784	1.776	10	20	CDCD	
O=C(COC(=O)c1ccc(O)cc1)c1ccc(O)c(O)c1	916589955	NCRQRSHGYDSYLF-UHFFFAOYSA-N	288.255	1.843	10	20	CDCD	
O=C1C[C@H]2CC[C@@H](CN1)N2Cc1c(O)ccc2ccncc12	748264080	QRNBLVBUMAAAAH-OLZOCXBDSA-N	297.358	1.793	10	20	CDCD	
C[C@H](CC(=O)NCCc1ccc(N)cc1)n1ccnc1	846666773	WKYAQNXIIGLGGE-GFCCVEGCSA-N	272.352	1.775	10	20	CDCD	
CN(CCN)C(=O)c1csc(Cc2ccc(N)cc2)n1	842510739	TZFQJMXQKPYYHA-UHFFFAOYSA-N	290.392	1.347	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)nn1	840420350	ZRNKZJHSCBAYDX-JTQLQIEISA-N	287.319	1.557	10	20	CDCD	
N[C@]12CCC[C@H]1CN(Cc1cccc(F)c1O)C2	857226405	NDFLKVSOGLFNAK-FZMZJTMJSA-N	250.317	1.845	10	20	CDCD	
CNC[C@@H](C)NCc1cccc(Br)c1O	853248851	KYEBGYBCXUPKTD-MRVPVSSYSA-N	273.174	1.852	10	20	CDCD	
CCOc1ccc(CNC[C@]2(O)CCOC2)c(O)c1	754839871	HSYCIXPKBZMAFI-CQSZACIVSA-N	267.325	1.032	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCO[C@H]([C@H]2CCCO2)C1	757422792	ACQJIFUWDXYAPW-MNOVXSKESA-N	283.349	1.474	10	20	CDCD	
CCC1(C(=O)N2CCOc3cc(N(C)C)ccc32)COC1	755359026	MJDKEZYZPNWEJC-UHFFFAOYSA-N	290.363	1.905	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@H]1CC[C@@H](N)CC1	870868098	UCLVEPOFKMGVAZ-BJHJDKERSA-N	262.353	1.868	10	20	CDCD	
C=CC(=O)N(C)CC(=O)N[C@H](C)c1ccc(N(C)C)cc1	860950309	LQRRIXNUNFJCNO-GFCCVEGCSA-N	289.379	1.574	10	20	CDCD	
COc1ccc(CNC(=O)CCCCO)c(O)c1	867955629	DTUICXCZYYNNDI-UHFFFAOYSA-N	253.298	1.180	10	20	CDCD	
C[C@H](NC(=O)c1cnc(O)n1C)c1ccc(N(C)C)cc1	867504254	UTLBTLPUCSEUSI-JTQLQIEISA-N	288.351	1.683	10	20	CDCD	
COCCN(CC(=O)OC)Cc1c(O)cccc1OC	769423402	PZWFLSLQZAICGM-UHFFFAOYSA-N	283.324	1.022	10	20	CDCD	
O=C1CN(Cc2cc3c(cc2O)CCCC3)CCCN1	872826105	VCYBMFVVZKTHGW-UHFFFAOYSA-N	274.364	1.593	10	20	CDCD	
CC1(C)C(=O)NCCN1Cc1ccc(N2CCCC2)cc1	1116443578	BLTNCDSPZPHYLV-UHFFFAOYSA-N	287.407	1.997	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)c1cccc2nccn12	778918365	PKBTVSAPGWUAEF-UHFFFAOYSA-N	283.287	1.676	10	20	CDCD	
CN(C)CC1(C(=O)NCCc2ccc(N)cc2)CC1	876528461	PYNVZAIRMCZOSZ-UHFFFAOYSA-N	261.369	1.269	10	20	CDCD	
CCOc1ccc(N2CCN(C(=O)N(C)C)CC2)cc1	1116530390	NHMSIAHQXQGKAW-UHFFFAOYSA-N	277.368	1.889	10	20	CDCD	
COC[C@H]1CN(Cc2ccc(C)cc2O)C[C@@H](C)O1	877464204	LYOBLOYMNFZPPT-TZMCWYRMSA-N	265.353	1.936	10	20	CDCD	
Cc1cccc(O)c1CN1CC[S@@](=O)C[C@@H](C)C1	877477450	FDNVPIMEXWXEEX-BBATYDOGSA-N	267.394	1.901	10	20	CDCD	
Cc1cccc(O)c1CNCCN1CCOC[C@H]1C	877150066	LJBLJHXGAFNSNN-CYBMUJFWSA-N	264.369	1.511	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NCCOC1CCC1	779526366	SEANEYUDIBFDEY-FNORWQNLSA-N	277.320	1.796	10	20	CDCD	
O=CN1CCC(NCCCSc2nccs2)CC1	774203338	VAQBZLKGHGOMLR-UHFFFAOYSA-N	285.438	1.836	10	20	CDCD	
CCOC1CN(Cc2ccc(OC)c(OC)c2O)C1	894820521	WATDLARGKMNDKV-UHFFFAOYSA-N	267.325	1.630	10	20	CDCD	
COc1cc(C)cc(CNCc2cncn2C)c1O	894791105	ZZWZFABODFRDDW-UHFFFAOYSA-N	261.325	1.733	10	20	CDCD	
COc1cccnc1CC(=O)N(C)Cc1ccccc1O	798161848	GCDVVLQOBAPZAG-UHFFFAOYSA-N	286.331	1.997	10	20	CDCD	
COc1ccc(CNC(=O)c2cc(OC)n(C)n2)c(O)c1	794390698	OWLSZFMLHGIQSB-UHFFFAOYSA-N	291.307	1.073	10	20	CDCD	
CC(=O)N1CC[C@@H](CN(C)C(=O)c2cc(O)cs2)C1	1328625333	YGRZIKRVHPCXAI-JTQLQIEISA-N	282.365	1.394	10	20	CDCD	
CCOC(=O)[C@H](C)NCc1cc(F)cc(F)c1O	708440638	DDGFDYXNGGKKNT-ZETCQYMHSA-N	259.252	1.712	10	20	CDCD	
c1cc(N2CCCC2)ccc1CNC[C@H]1COCO1	1335072420	ONMUQIFLAXJLTN-HNNXBMFYSA-N	262.353	1.749	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N2CC(F)(F)C2)cc1	1347238310	CXVQYMDWGVCVOZ-UHFFFAOYSA-N	269.295	1.913	10	20	CDCD	
Nc1ccc(CNC(=O)/C=C/C2CCOCC2)cc1	1341924417	STCCVSVDDRTZKT-ZZXKWVIFSA-N	260.337	1.868	10	20	CDCD	
O=C(O)[C@H]1CCC[C@@H]1NCc1cc2c(cc1O)OCO2	1601808483	MXOUZESQVXSOLT-UWVGGRQHSA-N	279.292	1.464	10	20	CDCD	
CC(C)N1CC[C@@H](Sc2ncc(C(=O)O)s2)C1=O	1609706631	AOYGUCLIZGTHGI-SSDOTTSWSA-N	286.378	1.943	10	20	CDCD	
CCOc1ccc(CN2CCCNC[C@@H]2C(=O)O)c(O)c1	1605691501	BZUVAPZLFGPAIV-CYBMUJFWSA-N	294.351	1.039	10	20	CDCD	
C[C@@H](CN)CNCc1cc(F)c(N(C)C)cc1F	1575987806	IENARZCUJMIQFT-VIFPVBQESA-N	257.328	1.715	10	20	CDCD	
CCOCCOCCN1CCCc2cc(CN)ccc21	923286207	KDJUBNJFWYLRRZ-UHFFFAOYSA-N	278.396	1.951	10	20	CDCD	
C[C@H]1OCC[C@]1(O)CNCc1ccc2c(c1)CCCO2	922074085	RGICJZZEPLVBDY-WBMJQRKESA-N	277.364	1.641	10	20	CDCD	
CCNC(=O)NC(=O)[C@H](C)N(C)c1ccc(OC)cc1	844353051	DZMJULIZQISBSX-JTQLQIEISA-N	279.340	1.366	10	20	CDCD	
CC(=O)c1cc(Cl)cc(CN2CCCNC(=O)C2)c1O	87884943	BKZBMANLVMBIOH-UHFFFAOYSA-N	296.754	1.570	10	20	CDCD	
C[C@H](N[C@@H]1CCc2cccc(O)c21)C(=O)N1CCCC1	381235464	YTCHNGVHVSFVAS-WCQYABFASA-N	274.364	1.980	10	20	CDCD	
Nc1ccc(CNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)cc1	883509308	RSPMBEUDZQBKCP-FPMFFAJLSA-N	260.337	1.700	10	20	CDCD	
CCONC(=O)NCc1ccc(N(C)C)c(F)c1	171451571	CYJYGCGYGVYMQF-UHFFFAOYSA-N	255.293	1.642	10	20	CDCD	
COCCS(=O)(=O)NCc1ccc(N(C)C)cc1C	115592618	DXWCVKLARLMDDE-UHFFFAOYSA-N	286.397	1.127	10	20	CDCD	
C[C@H]1CC[C@H](C)N1CC(=O)NCc1cccc(O)c1O	1352658348	SVBXCHUSOXKTSA-QWRGUYRKSA-N	278.352	1.587	10	20	CDCD	
COC(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1	62575041	CSHSJMMNAPZWHF-NSHDSACASA-N	264.325	1.878	10	20	CDCD	
COc1ccc(O)c(CN2CCC(C)(O)CC2)c1	180285785	XNMHULLMGUXKJO-UHFFFAOYSA-N	251.326	1.748	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)c1ccc2[nH]ncc2c1	122476572	ONOLOXWKYRDZOX-UHFFFAOYSA-N	297.314	1.947	10	20	CDCD	
CC(C)OCCOC[C@@H](O)CN(C)Cc1ccccc1O	121139984	JIWSWQOTBZWNML-HNNXBMFYSA-N	297.395	1.627	10	20	CDCD	
CCN1CC(=O)N[C@@H]1c1cc(Cl)cc(OC)c1O	189870703	YAYXCOPPELLARP-LBPRGKRZSA-N	270.716	1.505	10	20	CDCD	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CN)cc1	76822619	KMSMTFBEFHCDPH-OAHLLOKOSA-N	291.395	1.219	10	20	CDCD	
C[C@@H](CCN1CCN(C)CC1)NCc1cc(F)ccc1O	186596738	AVZUVMVLSLTQHQ-ZDUSSCGKSA-N	295.402	1.647	10	20	CDCD	
COc1ccc(O)c(CNCC(C)(C)CCO)c1	224874922	DYMCJFQDCKHKER-UHFFFAOYSA-N	253.342	1.899	10	20	CDCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N1CCOCC1	133917492	AZQTYISEEITPDB-UHFFFAOYSA-N	287.363	1.605	10	20	CDCD	
C[C@H]1CCN(Cc2ccc(N3CCOCC3)cc2)[C@H]1CO	249064803	IKMCRKKKGMJBRZ-YOEHRIQHSA-N	290.407	1.726	10	20	CDCD	
C[C@@H]1CNC[C@H]1C(=O)N1CCOc2cc(N(C)C)ccc21	449365265	SNGNXZQFQLWCOP-DGCLKSJQSA-N	289.379	1.334	10	20	CDCD	
Cc1cccc(CNCC2(N3CCOCC3)CC2)c1O	278430465	TUNHZAXMVHFXHA-UHFFFAOYSA-N	276.380	1.655	10	20	CDCD	
COCCO[C@H]1C[C@H](CO)CN(Cc2ccccc2O)C1	278707124	OHUYZHIQRQCOMO-ZFWWWQNUSA-N	295.379	1.238	10	20	CDCD	
C[C@H]1CN(C(=O)c2c(F)ccc(O)c2O)C[C@@H](C)O1	276604976	RQKKAEBAOXGOPE-OCAPTIKFSA-N	269.272	1.486	10	20	CDCD	
CCOC(=O)CN(C)c1ccc(OCC(=O)OC)cc1	273096632	NUJBIZOKUARPKT-UHFFFAOYSA-N	281.308	1.238	10	20	CDCD	
CN(C)c1ccc(CN2CCN3C(=O)NC[C@H]3C2)cc1F	271307657	WAHGQFOQHAAFMT-LBPRGKRZSA-N	292.358	1.101	10	20	CDCD	
Cc1ccc(C(=O)Nc2nnc(C)n2C)c(O)c1O	273237750	WGXSQYYBTPEBGK-UHFFFAOYSA-N	262.269	1.095	10	20	CDCD	
Cc1ncsc1/C=C/C(=O)N1CCn2nccc21	375583883	SORLOQYOTHOSAG-NSCUHMNNSA-N	260.322	1.708	10	20	CDCD	
Cc1ccc(C(=O)NC[C@H](C)c2nncn2C)c(O)c1O	280648320	DEPXEHQYWBRIDZ-VIFPVBQESA-N	290.323	1.068	10	20	CDCD	
CC[C@H](N[C@@H]1CC(=O)N(C)C1)c1ccc(F)cc1O	286062707	LMTTXLQBDMWDEC-PWSUYJOCSA-N	266.316	1.803	10	20	CDCD	
C[C@H](NC(=O)c1c(F)ccc(O)c1O)[C@@H]1CCOC1	295012513	PZBJPZJFYSWXCI-JGVFFNPUSA-N	269.272	1.392	10	20	CDCD	
C[C@H](CCCO)CNC(=O)c1c(F)ccc(O)c1O	295522856	VBFMRHWLVWIABM-MRVPVSSYSA-N	271.288	1.375	10	20	CDCD	
CCc1ccc(OCC(=O)OCC(=O)C(C)=O)cc1	808486815	KRMHNGGPMKXXDM-UHFFFAOYSA-N	264.277	1.329	10	20	CDCD	
CC(=O)N[C@@H]1CCN(Cc2ccc(N(C)C)c(F)c2)C1	817415680	WQRNNPYTXBZCHK-CYBMUJFWSA-N	279.359	1.602	10	20	CDCD	
COC(=O)CC(C)(C)NC(=O)c1cc(O)cs1	828536258	UEVGBTGCNATHMV-UHFFFAOYSA-N	257.311	1.525	10	20	CDCD	
CCOc1cccc(CN[C@H]2C[C@H](C(=O)OC)C2)c1O	827812229	GMCFUPBGJNKMSK-HAQNSBGRSA-N	279.336	1.832	10	20	CDCD	
COCCC(=O)CSc1ncc(C(=O)OC)s1	829680914	IGYZCDWSUBJVAX-UHFFFAOYSA-N	275.351	1.627	10	20	CDCD	
CC(C)OC(=O)[C@H](C)NCc1cc2c(cc1O)OCO2	825118678	WIDSDEBEACFJFU-VIFPVBQESA-N	281.308	1.551	10	20	CDCD	
CCOc1ccc(CNCC(=O)NC2CC2)c(O)c1	725845338	XRKSELJJYZSRTD-UHFFFAOYSA-N	264.325	1.159	10	20	CDCD	
C[C@@H](NC(=O)/C=C1/SCC(=O)N1C)c1ccccc1O	827952222	KGQKFLGHYTWHNZ-CULDGANSSA-N	292.360	1.616	10	20	CDCD	
O=C(O)[C@H]1CCCCN1C(=O)/C=C\c1ccc(O)c(O)c1	821509138	VHCXRDYKMMVFKL-JPVGGKMYSA-N	291.303	1.577	10	20	CDCD	
NCC1CC(NCc2ccc(N3CCOCC3)c(F)c2)C1	904360271	KGSIBYWYYACEPB-UHFFFAOYSA-N	293.386	1.489	10	20	CDCD	
CN(C)C(=O)CCCNC(=O)c1cc(O)cs1	732277598	MAUREJNLYHGDOX-UHFFFAOYSA-N	256.327	1.052	10	20	CDCD	
C[C@@H]1[C@H](C(=O)NCCc2ccc(N)cc2)CCN1C	832659146	OFKBMHDEXDADKQ-BXUZGUMPSA-N	261.369	1.268	10	20	CDCD	
CC[C@H](O)[C@@H](C)C(=O)NCCc1ccc(O)c(O)c1	901121136	BCHUJWUFOYHJQE-KOLCDFICSA-N	267.325	1.164	10	20	CDCD	
Cc1nccn1CC(=O)NCCCSc1nccs1	837412334	ANRUOIVCSVCNNS-UHFFFAOYSA-N	296.421	1.947	10	20	CDCD	
COc1ccc(O)c(CN2CCC([C@@H](O)C(=O)O)CC2)c1	833733920	VPYHBONKEVBDBL-CQSZACIVSA-N	295.335	1.058	10	20	CDCD	
CCOC1CN(C(=O)c2c(F)ccc(O)c2O)C1	832927518	YEWSWPWRVLLOEQ-UHFFFAOYSA-N	255.245	1.098	10	20	CDCD	
CN(C)C1(CNC(=O)NCc2ccccc2O)CC1	915526458	YYUBCWGFHPPQSM-UHFFFAOYSA-N	263.341	1.286	10	20	CDCD	
COC[C@@H](C)NC(=N)NCc1cc(Cl)ccc1O	849048918	NHBWNVLBKVBPTQ-MRVPVSSYSA-N	271.748	1.694	10	20	CDCD	
COc1cc([C@@H]2NC3(CCCC3)C(=O)N2C)cc(O)c1O	742439772	NMDKKKDESLLDAV-CYBMUJFWSA-N	292.335	1.479	10	20	CDCD	
OC[C@H]1CN(Cc2c(O)ccc(Cl)c2F)CC[C@H]1O	840974914	JKTPWQBGOJVCFM-LDYMZIIASA-N	289.734	1.360	10	20	CDCD	
OC[C@@H](NCc1cc(F)ccc1O)[C@H]1CCCOC1	840963481	OEDCFEPFQHZCAI-GXFFZTMASA-N	269.316	1.408	10	20	CDCD	
CCc1cccc(CN2CCNC(=O)[C@@H]2CC)c1O	848886679	VMCVDVDLBWVYSD-ZDUSSCGKSA-N	262.353	1.665	10	20	CDCD	
CCn1ccc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)n1	843850705	HIYUNBAUZHRLFI-SNVBAGLBSA-N	289.335	1.675	10	20	CDCD	
COc1ccc(CNC(=O)C2(N)CCCC2)c(O)c1	843499586	JJNQFVGZQBDNRM-UHFFFAOYSA-N	264.325	1.289	10	20	CDCD	
Cc1ccc(O)c(CNCC[C@@]2(O)CCCOC2)c1	846108004	APOWANXAJWWWQQ-HNNXBMFYSA-N	265.353	1.722	10	20	CDCD	
O=C(c1cc(O)cs1)N1CC[C@@H](C2OCCO2)C1	927996789	SGYCLBUUUNGTKS-MRVPVSSYSA-N	269.322	1.289	10	20	CDCD	
COCCN1C(=O)C2(CC2)N[C@@H]1c1cccc(Cl)c1O	840836914	KNGFRKNSZXWOAM-LBPRGKRZSA-N	296.754	1.655	10	20	CDCD	
COC(=O)NCCCc1nc(Cc2ccc(N)cc2)no1	843158669	GEUSEOFBRAEFLR-UHFFFAOYSA-N	290.323	1.531	10	20	CDCD	
CC(=O)N1CC[C@@H](NCc2cc(F)ccc2O)C1	857069361	ZXMHNJBRRRWIFZ-GFCCVEGCSA-N	252.289	1.242	10	20	CDCD	
CCCOc1ccc(CN(C)CC(=O)N(C)C)c(O)c1	132131685	ODSVSNQAYVOYOT-UHFFFAOYSA-N	280.368	1.701	10	20	CDCD	
COc1cc(C(=O)NCc2cc(C)ccc2O)nn1C	862757545	YBQDDHASVLTLBQ-UHFFFAOYSA-N	275.308	1.373	10	20	CDCD	
CCO[C@@H]1C[C@H](NC(=O)c2cc(O)cs2)[C@]12CCCO2	760455157	RUVTUZKDTGQRFM-OUCADQQQSA-N	297.376	1.910	10	20	CDCD	
CN(C)c1ccc(CNC(=O)C(=O)OC(C)(C)C)cc1F	764870990	XCSONQAZNDTAGG-UHFFFAOYSA-N	296.342	1.850	10	20	CDCD	
CN1CCN(c2ccc(CN[C@H]3C[C@@H](CO)C3)cc2)CC1	865662475	CSQFLNFKQMJBBZ-IYBDPMFKSA-N	289.423	1.299	10	20	CDCD	
CCO[C@@H]1COCC[C@@H]1NC(=O)c1cc(O)cs1	760448898	OWKXINMEDFWBFG-VHSXEESVSA-N	271.338	1.378	10	20	CDCD	
O=C(O)C1(CNCc2ccc3c(c2)CCO3)CCOCC1	1117967018	WIPPLKYLWLWGSS-UHFFFAOYSA-N	291.347	1.593	10	20	CDCD	
COc1ccc(O)c(CN[C@H](C)C[C@H]2CCCC(=O)N2)c1	877037299	ZQEJEXICOGAAOO-DGCLKSJQSA-N	292.379	1.938	10	20	CDCD	
COCC1(NC(=O)/C=C\c2ccc(O)c(O)c2)CC1	779531845	DTCXBFMTZCYLMO-HYXAFXHYSA-N	263.293	1.406	10	20	CDCD	
C[C@H](NC(=O)CSCC(=O)O)c1ccc(N(C)C)cc1	872860546	ZHRDIOYENYSXBW-JTQLQIEISA-N	296.392	1.748	10	20	CDCD	
Cc1ccc(C(=O)N2CCCC3(C2)OCCO3)c(O)c1O	770500551	HGEBGSIPOYKUIA-UHFFFAOYSA-N	293.319	1.385	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NCc1cccc(O)n1	779548726	XNNLBUFUBFANGJ-FNORWQNLSA-N	286.287	1.528	10	20	CDCD	
CCc1noc(C)c1C(=O)NCc1ccc(O)c(O)c1	778922280	IDIIOUGJMMQEOV-UHFFFAOYSA-N	276.292	1.887	10	20	CDCD	
C[C@@H](NC[C@H]1CN(C)CCN1C)c1c(O)cccc1F	886526181	HBRYVJHUBYWIEA-NEPJUHHUSA-N	281.375	1.428	10	20	CDCD	
COc1cc(O)c(CN2C[C@H](O)C[C@@H]2C)cc1OC	788268912	INYVAHPWGJCSNW-GXSJLCMTSA-N	267.325	1.365	10	20	CDCD	
COC[C@H](NCc1cccc(Cl)c1O)C(=O)OC	789577642	XHWODMTVHPFPLN-JTQLQIEISA-N	273.716	1.323	10	20	CDCD	
COc1ccc(CN[C@@H](C)C[S@](C)=O)c(O)c1OC	893527453	YHDOSGMMZPIDFX-UGZDLDLSSA-N	287.381	1.266	10	20	CDCD	
CC[C@H](NC[C@@H](O)CN(C)C)c1ccc(F)cc1O	796754286	JBSLMPVADXMKAL-YPMHNXCESA-N	270.348	1.495	10	20	CDCD	
COC(=O)CN(C)Cc1ccc(N2CCCC2)cc1	1204328267	FKNDHGGUXGLZOU-UHFFFAOYSA-N	262.353	1.892	10	20	CDCD	
Cc1ccc(CNCC(=O)NCC(C)C)c(O)c1	1331712260	LOJTYTUOKAERET-UHFFFAOYSA-N	250.342	1.562	10	20	CDCD	
CCN(CCC(=O)O)Cc1cccc(OC)c1O	86754442	NCBKNXKXBPLBBJ-UHFFFAOYSA-N	253.298	1.697	10	20	CDCD	
Nc1ccc(NC(=O)[C@@H]2CC23CCS(=O)(=O)CC3)cc1	1326783232	DUKKKMZSGUNXPX-LBPRGKRZSA-N	294.376	1.422	10	20	CDCD	
C[C@@H](CC(N)=O)NCc1cc(F)c(N(C)C)cc1F	1329966312	LSSPRPHQRLFJHZ-QMMMGPOBSA-N	271.311	1.384	10	20	CDCD	
COc1cccc(O)c1CNC[C@@]1(O)CCSC1	747622784	XXWYXGILSMOYKP-ZDUSSCGKSA-N	269.366	1.358	10	20	CDCD	
CN(C)c1ccc(CN[C@@H](C(=O)O)[C@@H]2CCCO2)cc1	1330287449	YKRARJYTOOZDLF-UONOGXRCSA-N	278.352	1.474	10	20	CDCD	
CN(C)c1cc(F)c(CNCCOCC(=O)O)cc1F	1330275804	WSHFJIPOELBFRK-UHFFFAOYSA-N	288.294	1.222	10	20	CDCD	
C[C@@H](NC(=O)c1cc(CN(C)C)on1)c1ccccc1O	1330897247	VNFQBAXGZFJPLY-SNVBAGLBSA-N	289.335	1.933	10	20	CDCD	
COC[C@](C)(O)CN[C@H](C)c1cc(C(=O)O)ccc1O	1606792364	OKBNBNRPJSMDPJ-YMTOWFKASA-N	283.324	1.138	10	20	CDCD	
C[C@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)[C@H](C(=O)O)C1	1604742707	CUDUQHSNPFVAQH-ONGXEEELSA-N	293.319	1.352	10	20	CDCD	
O=C(O)C1=NO[C@@]2(CCN(Cc3ccccc3O)C2)C1	1608589412	PEGLRQGIHLQQQK-AWEZNQCLSA-N	276.292	1.198	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)N[C@H]1CC[C@@H](C(=O)O)C1	1598530372	CEIRPJSSBAOSAK-PWSUYJOCSA-N	292.335	1.787	10	20	CDCD	
CC(C)NC(=O)NCCSc1ncc(C(=O)O)s1	1591652297	DWVMMHYTQRQHKX-UHFFFAOYSA-N	289.382	1.641	10	20	CDCD	
OC[C@@H]1CCC[C@@H]1NCc1cc2c(cc1O)OCO2	230677996	AQCVEZKHVOAGSW-ONGXEEELSA-N	265.309	1.372	10	20	CDCD	
CC[C@H](N[C@H](C)c1cc(OC)ccc1O)C(N)=O	182412406	MHMHTFQSGZDDRP-KCJUWKMLSA-N	252.314	1.315	10	20	CDCD	
CC(=O)NCCCCCC(=O)N(C)c1ccc(N)cc1	702070946	GBAHZEGIMRHNIM-UHFFFAOYSA-N	277.368	1.928	10	20	CDCD	
COC[C@H](C)OC[C@@H](O)CN(C)c1ccc(N)cc1	702111301	PNTZTDNSZJANKJ-FZMZJTMJSA-N	268.357	1.117	10	20	CDCD	
CC(C)NC(=O)[C@H](C)N[C@@H]1CCc2cccc(O)c21	381947874	ANNGUHRDPUEGJA-CMPLNLGQSA-N	262.353	1.882	10	20	CDCD	
C[C@@H](O)[C@@H](C)SCC(=O)NCc1ccc(N(C)C)cc1	172955220	KKCOZKYVJZMZHU-VXGBXAGGSA-N	296.436	1.871	10	20	CDCD	
CN1CCN(C(=O)/C=C/c2cnn(C)c2)c2ccccc21	110476409	QLDFGJHCMDJQER-BQYQJAHWSA-N	282.347	1.916	10	20	CDCD	
C[C@@H](NC(=O)NCc1ccc(N)cc1)c1ccn(C)n1	1357434956	ODNJGPJMVSSUSV-SNVBAGLBSA-N	273.340	1.563	10	20	CDCD	
C[C@@H]1C(=O)NCCN1Cc1ccc(N(C)C)c(F)c1	123436846	IHCZCPZMSPKHCD-SNVBAGLBSA-N	265.332	1.212	10	20	CDCD	
C[C@H](NCc1ccc(N(C)C)cc1)c1nnnn1C1CC1	191822458	KOQOJNIWXHABGH-NSHDSACASA-N	286.383	1.925	10	20	CDCD	
C[C@H]1[C@@H](C)S(=O)(=O)CCN1Cc1cc(F)ccc1O	180180165	OMURDONDGLQQEI-VHSXEESVSA-N	287.356	1.539	10	20	CDCD	
O=C(NC[C@@H](O)C1CCCCC1)c1c(F)ccc(O)c1O	276644177	YCQPHECHCZABAK-GFCCVEGCSA-N	297.326	1.908	10	20	CDCD	
CN(C)c1ccc(CN2CCC[C@@H](CC(N)=O)C2)cc1F	271191269	QGTODGPTWGAYFY-LBPRGKRZSA-N	293.386	1.979	10	20	CDCD	
CC1(C)CNC(=O)CN1Cc1cccc(Cl)c1O	282868006	XVLUQMNFVNMBMD-UHFFFAOYSA-N	268.744	1.756	10	20	CDCD	
C[C@H](NC[C@@H](CO)[C@H]1CCOC1)c1ccccc1O	280923877	RHGLFDDILWXPAQ-AVGNSLFASA-N	265.353	1.688	10	20	CDCD	
COc1ccc(O)c(CNC(=S)NC2CCC2)c1	814199171	WISIVKVRIQAEGM-UHFFFAOYSA-N	266.366	1.917	10	20	CDCD	
O=C(NCc1ccccc1O)c1ccc2oc(O)nc2n1	816911886	CDQDHCPEIVFBRU-UHFFFAOYSA-N	285.259	1.564	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@H]2CC[C@H](CN)C2)c1	817983134	YSUYMGJJQROBHO-GVXVVHGQSA-N	292.379	1.957	10	20	CDCD	
OC[C@@]1([C@H](NCc2cc(F)ccc2O)C2CC2)CCCO1	816666300	JOUHYNFRHLETKZ-HZPDHXFCSA-N	295.354	1.941	10	20	CDCD	
CCN(CCOCCO)Cc1ccc(N(C)CC)cc1	815109379	AOAPKLGAHWSENM-UHFFFAOYSA-N	280.412	1.974	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2C[C@@H](C(=O)O)[C@@H](C)C2)c1O	825946753	OONDASPRIDYGSH-ISVAXAHUSA-N	295.310	1.886	10	20	CDCD	
COc1cc(O)ccc1NS(=O)(=O)N1CCC[C@@H]1C	901703135	CBEXAEYFRIBSJE-VIFPVBQESA-N	286.353	1.542	10	20	CDCD	
CO[C@@](C)(C(=O)O)C(=O)N[C@H](C)c1ccccc1O	902516799	LITJRDTXGQPZFQ-AMIZOPFISA-N	267.281	1.059	10	20	CDCD	
COCC(COC)N[C@H](C)c1cc(F)cc(F)c1O	834891097	MXEGQNPGVMVQMN-MRVPVSSYSA-N	275.295	1.982	10	20	CDCD	
O[C@@H](CNc1ccccc1OCCF)C[C@@]1(O)CCOC1	905338018	IHVJXEYLRWLABI-DOMZBBRYSA-N	299.342	1.349	10	20	CDCD	
O=C(O)C1CCC(NCc2cc3c(cc2O)OCO3)CC1	739563768	IZDKOVNCZFJXGF-UHFFFAOYSA-N	293.319	1.854	10	20	CDCD	
C[C@@H](O)C[C@@H]1COCCN1C(=O)c1cc(O)cs1	832258609	DOLOJOISWQLQTQ-RKDXNWHRSA-N	271.338	1.066	10	20	CDCD	
CN(C)c1ccc([C@H](N)CNC(=O)C2(C)CC2)cc1	832267669	YXZNZDHLYMRGRE-CYBMUJFWSA-N	261.369	1.669	10	20	CDCD	
CN[C@H]1CCCN(Cc2ccc(N3CCOCC3)cc2)C1	843048605	JWPYZZWDGSVQNO-INIZCTEOSA-N	289.423	1.707	10	20	CDCD	
COc1cc(O)c(CN(C)[C@H](C)CCO)cc1OC	846109088	CUDIUAXGLMNZGF-SNVBAGLBSA-N	269.341	1.612	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@H](N)C1	841826295	GVLNSEOLXBTXHV-AWEZNQCLSA-N	290.411	1.694	10	20	CDCD	
CCOc1ccc(O)c(CN2CCNC[C@@H]2C)c1	843048059	KYWMJDHATAHGPD-NSHDSACASA-N	250.342	1.585	10	20	CDCD	
Cc1nnc(CN(C)c2ccc(OCC(=O)O)cc2)s1	846280175	UBMYKFHEAHVMMS-UHFFFAOYSA-N	293.348	1.946	10	20	CDCD	
CN(Cc1cc(Cl)cc([N+](=O)[O-])c1O)[C@@H]1CCNC1	843049186	IQBGJMSXTLANRD-SNVBAGLBSA-N	285.731	1.748	10	20	CDCD	
COC[C@H](C)[C@@H](C)C(=O)NCc1ccc(O)cc1O	910943361	ATZXPOGATREHGE-VHSXEESVSA-N	267.325	1.633	10	20	CDCD	
CC(C)COC[C@@H](O)CNC(=O)c1cc(O)cs1	748403853	BHKCONDSGVIDHB-JTQLQIEISA-N	273.354	1.217	10	20	CDCD	
CCC1=NN(C2=NS(=O)(=O)c3ccccc32)C(=O)C1	917348396	VYKARCNERSNJNQ-UHFFFAOYSA-N	277.305	1.134	10	20	CDCD	
C[C@@H](NC(=O)NC[C@@H]1CCCN1)c1ccc(N(C)C)cc1	841881989	FXUMAISXNNEFRA-OCCSQVGLSA-N	290.411	1.865	10	20	CDCD	
CCNC(=O)CCc1nc(Cc2ccc(N)cc2)no1	843158362	BZRJIPOSRBRZPX-UHFFFAOYSA-N	274.324	1.311	10	20	CDCD	
COc1cccc(CN[C@H]2CCCNCC2)c1O	841057458	KUZUEEUKRSHBMY-LBPRGKRZSA-N	250.342	1.633	10	20	CDCD	
COC(=O)C12CC(C(=O)N(C)Cc3ccccc3O)(C1)C2	843820211	NSFQKJKRPFMONE-UHFFFAOYSA-N	289.331	1.694	10	20	CDCD	
CC[C@@H](NC(=O)NCCc1ccc(N)cc1)C(C)(C)O	841955654	JCODRVNNCYWWBP-CYBMUJFWSA-N	279.384	1.660	10	20	CDCD	
COc1cc(O)c(CN[C@@H]2CCCN[C@@H]2C)cc1OC	841063919	BXSYUINRDCCJBL-ZYHUDNBSSA-N	280.368	1.640	10	20	CDCD	
CCOc1ccc(CNC[C@]2(COC)CCCN2)c(O)c1	841067222	LHKKLPVKCOSEJR-INIZCTEOSA-N	294.395	1.649	10	20	CDCD	
Cc1cc(CNC(=O)N(C)Cc2ccccc2O)ncn1	757661874	BNZLSWUZAFBPCD-UHFFFAOYSA-N	286.335	1.832	10	20	CDCD	
O=C(OCC(=O)C1CCOCC1)c1cccc(O)c1O	758562351	QRCFJXUOUJGHSQ-UHFFFAOYSA-N	280.276	1.250	10	20	CDCD	
CCOCCn1cc(C(=O)NCc2ccccc2O)cn1	857093222	MOFQIVYLWVJBJD-UHFFFAOYSA-N	289.335	1.555	10	20	CDCD	
Cc1cc(CS(=O)(=O)NCc2ccccc2O)on1	751150538	HRYSVLOZVNMSOR-UHFFFAOYSA-N	282.321	1.308	10	20	CDCD	
COc1cccc(CNC(=O)N[C@H]2CC[C@H](O)CC2)c1O	753717358	ZYJZYNIWPROHAH-HAQNSBGRSA-N	294.351	1.504	10	20	CDCD	
CON(C)C(=O)[C@H](C)NCc1cc(Cl)c(F)cc1O	862539836	WURSCNOUVYBRMD-ZETCQYMHSA-N	290.722	1.683	10	20	CDCD	
CCOC(=O)C[C@H](C)NC(=O)/C=C\c1ccc(O)c(O)c1	779532870	ULAGERLGTVYLQL-BXKUYDPTSA-N	293.319	1.569	10	20	CDCD	
COC(=O)N(C)CC(=O)N[C@@H](C)c1ccc(N(C)C)cc1	773000212	NWCHFWRJTKREAG-NSHDSACASA-N	293.367	1.628	10	20	CDCD	
O[C@H]1C[C@H](NCc2ccc(N3CCCCC3)cc2)C[C@H]1O	886240746	BUWSRBJPHCPGTE-XGBSXSJOSA-N	290.407	1.651	10	20	CDCD	
CC[C@@H](N)c1cn(Cc2ccc(N(C)C)cc2)nn1	881270810	AFIFCUUBWUTEEL-CYBMUJFWSA-N	259.357	1.802	10	20	CDCD	
COc1cccc(O)c1CN1C[C@H]2[C@@H](O)CC[C@H]2C1	895785144	RCLDDGDOAHVDMU-WDMOLILDSA-N	263.337	1.604	10	20	CDCD	
O=C(CC[C@H]1CCOC1)OCC(=O)c1ccc(O)c(O)c1	784047654	JRKOHYVRPPRDRX-JTQLQIEISA-N	294.303	1.640	10	20	CDCD	
C[C@](CO)(NCc1cc(F)cc(F)c1O)C1CC1	883034438	UXDFLFJUBFKBCY-CYBMUJFWSA-N	257.280	1.921	10	20	CDCD	
COCCONC(=O)N[C@@H](C)c1ccc(N(C)C)cc1	789212522	JXBBJRWTZAEWFN-NSHDSACASA-N	281.356	1.691	10	20	CDCD	
COc1ccc(CN(C)C[C@H](O)C2CC2)c(O)c1OC	894472761	WBUJHTABCUQMQT-LBPRGKRZSA-N	281.352	1.612	10	20	CDCD	
CCN(CCNCc1ccc(OC)c(OC)c1O)C1CC1	892790877	AQUQBSQYHGXUON-UHFFFAOYSA-N	294.395	1.983	10	20	CDCD	
CCC(=O)NCCC1=CCN(c2nccnc2F)CC1	1089797814	JXBAJGZSFKQOQR-UHFFFAOYSA-N	278.331	1.669	10	20	CDCD	
O=C1C[C@H]2C[C@@H]1[C@H](C(=O)NCc1cccc(O)c1O)C2	1153798257	NPZIESYVDGPFPX-JMJZKYOTSA-N	275.304	1.329	10	20	CDCD	
CC(=O)NCCC1=CCN(c2ccnc(C)n2)CC1	1089802751	VUHPGPRUTYFCCE-UHFFFAOYSA-N	260.341	1.448	10	20	CDCD	
Oc1cc(Br)ccc1CN1C[C@@H]2CNC[C@@H]2C1	691476864	KLCBBIMHIZBKRV-PHIMTYICSA-N	297.196	1.806	10	20	CDCD	
C[C@H](NC[C@@]1(O)CCN(C)C1)c1ccc(N(C)C)cc1	702566579	JWVHRPAEGDBOGW-BBRMVZONSA-N	277.412	1.470	10	20	CDCD	
CN1CCN(c2ccc(CNCC(F)F)cc2F)CC1	1328728411	MVIVEASYMCCPEG-UHFFFAOYSA-N	287.329	1.932	10	20	CDCD	
Cc1ccc(O)c(CNS(=O)(=O)C[C@@H]2CCOC2)c1	1329805912	KWFOEAMBLRGMIS-LLVKDONJSA-N	285.365	1.157	10	20	CDCD	
CC[C@]1(C(=O)N(C)Cc2ccccc2O)CCNC1	62896293	IZWUNMGBQHRSDP-HNNXBMFYSA-N	262.353	1.740	10	20	CDCD	
COc1cc(O)c(CN[C@@H]2CC[C@H](C(=O)O)C2)cc1OC	1329426462	DDFYARFPDHZVMM-GXSJLCMTSA-N	295.335	1.752	10	20	CDCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@H]2NCCN1CC[C@@H](O)C1	1261791740	ZKTYLNVPKDJFLH-BFHYXJOUSA-N	290.407	1.905	10	20	CDCD	
Nc1ccc(CN2CCC[C@@H]2CN2CCOCC2)cc1	1356083422	PHUREICCQDYEPS-MRXNPFEDSA-N	275.396	1.565	10	20	CDCD	
C[C@H](CN(C)Cc1ccc(F)c(F)c1O)C(=O)O	1603155943	YUZVCSGWRXVOJT-SSDOTTSWSA-N	259.252	1.823	10	20	CDCD	
O=C(O)[C@@H]1OCC[C@@H]1NCc1ccc(Cl)cc1O	1608815180	YXZAHBPCGZMUBJ-GXSJLCMTSA-N	271.700	1.377	10	20	CDCD	
O=C(O)[C@H]1CNCCCN1Cc1cccc(Cl)c1O	1610747526	LMXSHWRIDXYZJO-LLVKDONJSA-N	284.743	1.294	10	20	CDCD	
CN(C)CC[C@H](NCc1cc(F)cc(F)c1O)C(=O)O	1777030921	MFYAACUGKADURK-NSHDSACASA-N	288.294	1.165	10	20	CDCD	
O=C1CC[C@H](C(=O)NCc2c(O)ccc3c2CCCC3)N1	156337033	SBUDUXYGOGBTSI-CYBMUJFWSA-N	288.347	1.166	10	20	CDCD	
C[C@H](N[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1O	272930048	ZJUJCYZZLKMJMG-NWDGAFQWSA-N	298.408	1.467	10	20	CDCD	
CC(=O)c1cc(Cl)cc(CN2CC[C@H](N)C2)c1O	50242237	WUAWORXGYKYYEL-NSHDSACASA-N	268.744	1.781	10	20	CDCD	
COc1ccc(O)c(CN(C)CCNC(=O)C(C)C)c1	180797633	LUCHZXZRDNTJDT-UHFFFAOYSA-N	280.368	1.605	10	20	CDCD	
CCOc1cccc(CNCC(C)(C)CO)c1O	124298856	ORWSGYPMZJCPOD-UHFFFAOYSA-N	253.342	1.899	10	20	CDCD	
COc1ccc(O)c(CNC(=O)CC[C@@H](C)OC)c1	184026591	WFFLTSNLRHFQAC-SNVBAGLBSA-N	267.325	1.832	10	20	CDCD	
CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)c1cccc(O)c1O	187120614	HPKCZNQICSJULN-WQAKAFBOSA-N	277.320	1.641	10	20	CDCD	
CCOc1cccc(CN2C[C@@H]3CCCN[C@@H]3C2)c1O	219798656	NELGHHONUKCDRO-GXTWGEPZSA-N	276.380	1.975	10	20	CDCD	
CC[C@H](C)[C@@H](O)CNC(=O)/C=C/c1ccc(O)c(O)c1	180867581	YJODNCOBEIKBLH-AUZMMHNKSA-N	279.336	1.634	10	20	CDCD	
CC[C@@H]1C(=O)NCCN1Cc1cc(OC)ccc1O	180037061	HRNDCIJEURIXBR-GFCCVEGCSA-N	264.325	1.111	10	20	CDCD	
CCN(C)C(=O)CCN[C@@H](C)c1cc(OC)ccc1O	182415114	CXADTNNLXNHRFX-NSHDSACASA-N	280.368	1.920	10	20	CDCD	
CCOc1cccc(CN2CCOC[C@H]2CC(=O)O)c1O	130058969	WSMCDRAOIAIMNS-GFCCVEGCSA-N	295.335	1.466	10	20	CDCD	
C[C@H](N)[C@H]1CN(Cc2cc(Cl)ccc2O)CCO1	132621825	SQSAXGSSPIDUBF-TVQRCGJNSA-N	270.760	1.594	10	20	CDCD	
CC(C)(C)N1C[C@H](NC(=O)c2cccc(O)c2O)CC1=O	193118984	GIRFTRIBQSHLEQ-SECBINFHSA-N	292.335	1.227	10	20	CDCD	
COc1ccc(N2CCN(c3cc(C#N)ncn3)CC2)cc1	320006738	IHHCOYGVHWGANH-UHFFFAOYSA-N	295.346	1.683	10	20	CDCD	
CC[C@@H](N[C@H](CCO)COC)c1ccccc1O	229556274	LOMSFTVMJRKKBF-DGCLKSJQSA-N	253.342	1.830	10	20	CDCD	
Cc1[nH]ccc1C(=O)NCCc1ccc(O)c(O)c1	130130122	RBFAOEOKISTZMT-UHFFFAOYSA-N	260.293	1.707	10	20	CDCD	
C[C@H](CO)CCCNCc1cc2c(cc1O)OCO2	230161355	QQJUMHBTAMFWAC-JTQLQIEISA-N	267.325	1.619	10	20	CDCD	
CCCN(CC(=O)OC)C(=O)/C=C/c1ccc(O)c(O)c1	272431004	LFOUGSGEVDDTQG-FNORWQNLSA-N	293.319	1.523	10	20	CDCD	
COC1(CC(=O)NCc2ccc(O)c(O)c2)CCC1	276795948	QBRWYUJJDAVTGO-UHFFFAOYSA-N	265.309	1.673	10	20	CDCD	
CN(C)[C@@H]1CCC[C@@H](NC(=O)c2c(F)ccc(O)c2O)C1	276637595	ULTJSVJXYUDJEN-NXEZZACHSA-N	296.342	1.840	10	20	CDCD	
Cc1[nH]cnc1CC(=O)N(C)Cc1ccccc1O	278901218	PTTGOOFCEOXEHT-UHFFFAOYSA-N	259.309	1.625	10	20	CDCD	
CCO[C@@H]1C[C@@H](NCc2cccc(OC)c2O)[C@@H]1OC	274992689	ZFZFKYCWQINEGY-KYOSRNDESA-N	281.352	1.683	10	20	CDCD	
C[C@@H](N[C@H](CO)c1cnn(C)c1)c1ccccc1O	272818280	FJGPBZRYVXKKNR-ZWNOBZJWSA-N	261.325	1.510	10	20	CDCD	
Cc1ccc(C(=O)NCCC[C@H](C)O)c(O)c1O	279115789	LHJRHAWRVBBLBR-VIFPVBQESA-N	253.298	1.297	10	20	CDCD	
COc1cc(O)c(CNC[C@@H](C)CCCO)cc1OC	294673143	BANKEVMDARHYSO-NSHDSACASA-N	283.368	1.908	10	20	CDCD	
COC(=O)c1cnc(SCCn2cccn2)s1	295419875	XZQKCMCWFDVGMP-UHFFFAOYSA-N	269.351	1.919	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC[C@@H]2C[C@H](F)CN2)c1	817975732	AHBFNURRFQJXGA-VWYCJHECSA-N	268.332	1.751	10	20	CDCD	
COc1cccc(CNC(=O)N[C@H]2CO[C@@H](C)C2)c1O	828427667	POXMBCTYKWZPDM-GXSJLCMTSA-N	280.324	1.377	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@H]2C[C@@]23CCNC3)c1	828667865	VIADQBULASMWCR-OWRWGESLSA-N	290.363	1.578	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@@H](C)n1cncn1	734406157	NOQBYWDQTCQVJM-GFCCVEGCSA-N	287.367	1.530	10	20	CDCD	
COC(=O)CC1CCN(C(=O)c2cc(O)cs2)CC1	732276857	UELJGODXZZDEJJ-UHFFFAOYSA-N	283.349	1.869	10	20	CDCD	
CCn1[nH]c(C)nc1=NCc1c(O)cccc1Cl	840887918	QRLRNRSRHBKTBY-UHFFFAOYSA-N	266.732	1.999	10	20	CDCD	
Cn1cncc1[C@@H]1C[C@H]1C(=O)NCc1ccc(O)cc1O	910944508	NCSBJMPQTQHNBB-VXGBXAGGSA-N	287.319	1.251	10	20	CDCD	
Nc1ccc(CCNC(=O)N2CCC[C@H](CCO)C2)cc1	841953837	DYJFXSZXIRMIHY-CQSZACIVSA-N	291.395	1.615	10	20	CDCD	
CNCCNCc1cc(Cl)cc([N+](=O)[O-])c1O	841036743	SYJOFFWXOWWPEA-UHFFFAOYSA-N	259.693	1.263	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N[C@@H](CN)C2CC2)cc1F	841761177	NSDFRQMJXBDNEE-ZDUSSCGKSA-N	294.374	1.428	10	20	CDCD	
C[C@@H](CCO)N(C)Cc1ccc(N2CCOCC2)cc1	846109347	UANKSJRPDWRWGV-AWEZNQCLSA-N	278.396	1.726	10	20	CDCD	
C[C@H]1CC(=O)CC[C@@H]1C(=O)NCc1ccc(O)cc1O	910950651	ZIRYIDFFGBSEMG-ZANVPECISA-N	277.320	1.719	10	20	CDCD	
C[C@H](CNC(=O)Nc1ccc(N)cc1)CN1CCOCC1	841300790	VCUDZYHVIVHUNM-GFCCVEGCSA-N	292.383	1.359	10	20	CDCD	
C[C@@H]1CCC[C@@]1(O)CNC(=O)NCCc1ccc(N)cc1	841955903	QYAKZFNVMICMPE-MLGOLLRUSA-N	291.395	1.662	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@H]2CC[C@@H]2C(N)=O)cc1F	847405860	SZMLSKIBDKRUHN-WDEREUQCSA-N	293.342	1.019	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC[C@H]1CCCS1(=O)=O	840935704	AURSFZHLUFJUCW-OAHLLOKOSA-N	296.436	1.728	10	20	CDCD	
CC1(O)CCC(NC(=O)c2cc(O)cs2)CC1	754905970	FYOLLTGCHLCCOH-UHFFFAOYSA-N	255.339	1.877	10	20	CDCD	
Cc1cnc2c(c1)N(C(=O)/C=C\c1cnn(C)c1)CCN2	857994577	IICHRACKQGEBIG-ARJAWSKDSA-N	283.335	1.595	10	20	CDCD	
C[C@H]1CCN(S(=O)(=O)Nc2ccc(O)cc2F)C1	758171594	WALDCTAZFIURHR-QMMMGPOBSA-N	274.317	1.530	10	20	CDCD	
Oc1ccc(-c2ccccc2)cc1CN[C@H]1COC[C@H]1O	865666845	PCLGSTNBGUFJBX-DOTOQJQBSA-N	285.343	1.909	10	20	CDCD	
Cc1ccc(CN[C@@H](C)CCS(C)(=O)=O)c(O)c1	877088738	IBCUDVSDDFADQQ-NSHDSACASA-N	271.382	1.613	10	20	CDCD	
CNC(=O)[C@H]1CCC[C@H]1NCc1cccc(OC)c1O	765797247	RBYQHCGCDHXZTD-NWDGAFQWSA-N	278.352	1.405	10	20	CDCD	
CN(C(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1)c1ccc(N)cc1	877078020	ZIIBJMYPWOGNIM-SNVBAGLBSA-N	299.334	1.008	10	20	CDCD	
CCCNC(=O)CCNC(=O)NCc1cc(C)ccc1O	1118858790	VEPYFWUKLDJCNH-UHFFFAOYSA-N	293.367	1.416	10	20	CDCD	
Cc1ccc(CNC[C@@H]2CCCCS2(=O)=O)c(O)c1	877304780	OETMHJRTQYJGKL-ZDUSSCGKSA-N	283.393	1.758	10	20	CDCD	
Cn1cncc1CCNC(=O)/C=C/c1ccc(O)c(O)c1	773830908	PKFVKEZAIBAMEZ-HWKANZROSA-N	287.319	1.203	10	20	CDCD	
C[C@@H](C(=O)N[C@H](C)Cc1ccc(O)c(O)c1)N(C)C	773747722	GGOWRNJUIQJFFP-ZJUUUORDSA-N	266.341	1.095	10	20	CDCD	
COCCOC[C@@H](C)NCc1cc(OC)ccc1O	776217820	BCXGZOLWTVRRAV-LLVKDONJSA-N	269.341	1.542	10	20	CDCD	
C[C@H](N)CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	1122413844	CEKXUZMZYSOZGQ-WFASDCNBSA-N	292.427	1.209	10	20	CDCD	
Cc1ccc(C(=O)OCCCn2ccnc2)c(O)c1O	783344407	NJOKSBHZFHBPON-UHFFFAOYSA-N	276.292	1.850	10	20	CDCD	
COc1cc(C)cc(CNC[C@@H](O)C2CCC2)c1O	894939361	CUKISDPNJIIADA-CYBMUJFWSA-N	265.353	1.960	10	20	CDCD	
COc1ccc(CN[C@@H]2C(=O)NCC2(C)C)cc1C	895315558	BNBGRNDXWNCHMT-CYBMUJFWSA-N	262.353	1.618	10	20	CDCD	
COc1ccc(CN2CCCOCC2)c(O)c1OC	891721442	YEWJVKPMIYXILN-UHFFFAOYSA-N	267.325	1.632	10	20	CDCD	
COc1ccc(CNC(=O)NC[C@@H]2CCCO2)c(O)c1	792764199	VXVGCPKQXVJMIQ-LBPRGKRZSA-N	280.324	1.379	10	20	CDCD	
COC(=O)CCCC(=O)NCc1ccc(OC)cc1O	796350454	MZDYRIYFOPTKDF-UHFFFAOYSA-N	281.308	1.360	10	20	CDCD	
CCOc1ccc(CN[C@@H](C)C(=O)N2CCCC2)c(O)c1	798501533	LMRJSXLMKRVOOG-LBPRGKRZSA-N	292.379	1.891	10	20	CDCD	
COCCOCCNCc1c(O)cccc1Cl	83552204	ZHTFYSRRAYVDRT-UHFFFAOYSA-N	259.733	1.798	10	20	CDCD	
C[C@@H]1CC[C@@H](C)N1C(=O)C(=O)N(C)Cc1ccccc1O	1327185791	FYADLLRDPVTZOR-VXGBXAGGSA-N	290.363	1.750	10	20	CDCD	
c1c[nH]c(CNCc2ccc(N3CCOCC3)cc2)n1	67692923	VNRNZPBEXVCVPQ-UHFFFAOYSA-N	272.352	1.536	10	20	CDCD	
COCC[C@@H](NCc1ccc2c(c1)CCCO2)C(=O)O	1335617721	YOZHEIAVXOEQKN-CYBMUJFWSA-N	279.336	1.591	10	20	CDCD	
c1cc(CNCc2ccc(N3CCOCC3)cc2)no1	93305743	VUCQOVGJPHRDCC-UHFFFAOYSA-N	273.336	1.801	10	20	CDCD	
CN1CCN(C(=O)NCc2ccc(N)cc2)CC1(C)C	1335723623	AQCWAICJUSGUPD-UHFFFAOYSA-N	276.384	1.504	10	20	CDCD	
Cn1ccnc1CCC(=O)NCc1ccc(O)cc1O	1349952222	XDILGBPEQNUUOY-UHFFFAOYSA-N	275.308	1.080	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H]2CN3CCC2CC3)c(O)c1O	1353787683	HEUHSHUENHYUDA-GFCCVEGCSA-N	276.336	1.230	10	20	CDCD	
CCCN1CCC[C@H](C(=O)NCc2cccc(O)c2O)C1	1528781210	LHWJMJGHKPNZPM-ZDUSSCGKSA-N	292.379	1.836	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)c1cncc(O)c1	104422450	JWYHREXOJMZIJN-UHFFFAOYSA-N	258.277	1.765	10	20	CDCD	
CC(C)(CS(=O)(=O)Nc1ccc(O)cc1F)C(=O)O	1590812177	JMUXYMSKNUNJJC-UHFFFAOYSA-N	291.300	1.384	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)CC(=O)O)c1	1599598203	HYBWHTNJPJNKMJ-ZETCQYMHSA-N	253.254	1.053	10	20	CDCD	
COCC[C@@H](C)CNCc1cc2c(cc1O)OCO2	840955847	YKDJTWJFLXLNSO-SNVBAGLBSA-N	267.325	1.883	10	20	CDCD	
COc1cccc(CN2C[C@H](C)N(C)[C@H](C)C2)c1O	141900933	ZAYJVDOWRNTVIM-TXEJJXNPSA-N	264.369	1.925	10	20	CDCD	
CC[C@@H](NC(=O)c1cccc(O)c1O)[C@@H]1CCCO1	187206134	LTKSMXWFCDMRMU-PWSUYJOCSA-N	265.309	1.785	10	20	CDCD	
COCC1=CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1	185398644	OIWQLYSUKHFLTP-HWKANZROSA-N	289.331	1.916	10	20	CDCD	
CNC(=O)[C@H]1CCCN(Cc2cc(OC)ccc2O)C1	180219488	MHZMQPBLDSWFMU-NSHDSACASA-N	278.352	1.359	10	20	CDCD	
CCOc1ccc(O)c(CN2CCNC(=O)[C@H]2C)c1	123516362	UJXAXPBPMKBKJR-SNVBAGLBSA-N	264.325	1.111	10	20	CDCD	
CCOC(=O)CN(C)Cc1cccc(OC)c1O	128584704	ZZAONGVOHVUBJP-UHFFFAOYSA-N	253.298	1.396	10	20	CDCD	
C[C@@H](NCCOCCS(C)(=O)=O)c1ccccc1O	183612578	OKKYUXLJKHUMCY-LLVKDONJSA-N	287.381	1.104	10	20	CDCD	
O=C(NCCCO[C@H]1CCOC1)c1cccc(O)c1O	274948584	HSVKBMPTCYNIHS-JTQLQIEISA-N	281.308	1.023	10	20	CDCD	
c1cc2c(cc1CN[C@@H]1CCc3c[nH]nc3C1)CCO2	363937795	LSGMVZRFCKKWPQ-CQSZACIVSA-N	269.348	1.992	10	20	CDCD	
CC(=O)C(=O)CSc1nnc(NCc2ccco2)s1	289797939	YEMQEZYZLVDMTH-UHFFFAOYSA-N	297.361	1.993	10	20	CDCD	
CO[C@](C)(C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)C1CC1	291757343	VCYQMJAVQXXBEK-QFYYESIMSA-N	293.363	1.960	10	20	CDCD	
COC[C@@]1(C(=O)OC)CCN(Cc2cc(F)ccc2O)C1	295139988	ZKXMSBMNSVWMOW-OAHLLOKOSA-N	297.326	1.543	10	20	CDCD	
Cc1nonc1CNCc1cc([N+](=O)[O-])ccc1O	809744811	DSDZSZXXBLBJDW-UHFFFAOYSA-N	264.241	1.282	10	20	CDCD	
Cc1cc(C)c([C@@H](C)NC[C@@]2(O)CCOC2)c(O)c1	294911960	WOAFGCRPZUIHNT-DOMZBBRYSA-N	265.353	1.811	10	20	CDCD	
CCN(C)c1ccc(CN2CC[C@H](CO)[C@H](O)C2)cc1	815101381	XTTMHBPKLQKUFE-GDBMZVCRSA-N	278.396	1.318	10	20	CDCD	
CCN[C@H](C)CN[C@H](C)c1cc(C(=O)OC)ccc1O	817972230	KKZNAAJOMCLODN-GHMZBOCLSA-N	280.368	1.827	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)c2cc[nH]n2)c1	728977669	CBLNPGVLDMESSY-QMMMGPOBSA-N	261.281	1.615	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)CC[C@@H]2CCNC2)c1	828666912	JYPYJNTZOJHOBN-VXGBXAGGSA-N	292.379	1.968	10	20	CDCD	
COC(=O)[C@@H](C)CN(C(=O)c1cc(O)cs1)C1CC1	825447488	UVBJLFVGOYZQCU-QMMMGPOBSA-N	283.349	1.867	10	20	CDCD	
Cc1cc(C)c(O)c(CN2CC[C@H](CS(N)(=O)=O)C2)c1	902525731	YYWCZDIUUGKCHR-LBPRGKRZSA-N	298.408	1.119	10	20	CDCD	
CN(C)Cc1ccnc(NC(=O)Cc2ccc(N)cc2)c1	831039456	YLHXXJYOVZEHRO-UHFFFAOYSA-N	284.363	1.907	10	20	CDCD	
COCCOC1CN(Cc2cccc(OC)c2O)C1	838986001	FFGTUWGQUVOSJF-UHFFFAOYSA-N	267.325	1.248	10	20	CDCD	
CCOCc1cc(CNC[C@@](C)(O)COC)ccc1OC	732672542	REDVGIBMKWYGDS-MRXNPFEDSA-N	297.395	1.719	10	20	CDCD	
c1cc(N2CCOCC2)ccc1CN1[C@H]2CC[C@H]1COC2	839178607	FKANWLXALNPDPP-IRXDYDNUSA-N	288.391	1.886	10	20	CDCD	
Cc1c[nH]nc1C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1	911667693	QNZVRKCLJRDCIA-CYBMUJFWSA-N	287.367	1.214	10	20	CDCD	
Oc1cc2c(cc1CNCCCNC1CC1)OCO2	841092540	OBORGAMUARDEFS-UHFFFAOYSA-N	264.325	1.353	10	20	CDCD	
Cc1nc(=NCc2ccc(N(C)C)cc2C)n(C)[nH]1	840880328	BZRADDKWWUIZEH-UHFFFAOYSA-N	259.357	1.532	10	20	CDCD	
COc1ccc(CNC(=O)N[C@@H]2CCN[C@@H](C)C2)c(O)c1	841983616	DWFPIXJIZXZDKW-CMPLNLGQSA-N	293.367	1.341	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2C[C@@H](C)N[C@H](C)C2)c1O	843352077	RAQBLZGUUMBRSV-NXEZZACHSA-N	280.343	1.916	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2CC[C@H](N)[C@H](C)C2)c1O	843052045	PAGJPOKFCZGIDL-KOLCDFICSA-N	295.339	1.478	10	20	CDCD	
C[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)CC[C@@H]1N	843052854	WSMMSBBTPOIZII-PBHICJAKSA-N	289.423	1.692	10	20	CDCD	
Cc1cccc(CN2CCO[C@H]([C@H](C)N)C2)c1O	843056969	DKKYUYPTCPOFSA-AAEUAGOBSA-N	250.342	1.249	10	20	CDCD	
CN(C(=O)NCCc1ccc(N)cc1)[C@@H]1CCSC1	841958677	HLDQBVKQWLQQMW-CYBMUJFWSA-N	279.409	1.958	10	20	CDCD	
CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)c1cc(O)cs1	741292639	FHNAYOJQISQCCO-IEBDPFPHSA-N	267.350	1.997	10	20	CDCD	
CN(Cc1cnns1)c1ccc(OCC(=O)O)cc1	846280229	VOGOEURJYPAUPN-UHFFFAOYSA-N	279.321	1.638	10	20	CDCD	
CC[C@H](NCCN1CC[C@@H](O)C1)c1ccc(N(C)C)cc1	858547160	DRINWWGKOVDHNW-SJORKVTESA-N	291.439	1.860	10	20	CDCD	
NCc1cc(O)nc(CN[C@H]2CCc3cccc(O)c32)n1	854231226	CQVMOMZGWVVULL-NSHDSACASA-N	286.335	1.124	10	20	CDCD	
CCCCN(Cc1ccccc1O)C(=O)[C@@H]1CCNC1=O	854373555	JDFBPPSMSZKCBW-CYBMUJFWSA-N	290.363	1.657	10	20	CDCD	
Cc1cc(O)c(CN(C)C[C@@H]2COCCO2)cc1C	853560899	ZXLLNVVBGDZQIV-CQSZACIVSA-N	265.353	1.856	10	20	CDCD	
O=C(OCC[C@H]1CCOC1=O)c1cc(O)cs1	754094209	FKXXISGVCQXTPM-SSDOTTSWSA-N	256.279	1.564	10	20	CDCD	
CCOC(=O)C1=NN(c2ccccc2C)C(=O)[C@@H]1C	871941282	YIROIXGTBWSEDN-SNVBAGLBSA-N	260.293	1.897	10	20	CDCD	
CCO[C@@H]1COCC[C@H]1NCc1ccc(C)cc1O	877345220	YGIKGFZSVPCZMH-UKRRQHHQSA-N	265.353	1.984	10	20	CDCD	
Oc1c(F)cc(Cl)cc1CNCC1(O)CCOCC1	776174995	UOQJICZPUXOKRY-UHFFFAOYSA-N	289.734	1.816	10	20	CDCD	
CCN(C)C(=O)CN(CC(=O)O)c1ccc(OC)cc1	872891239	MOFUEKQLFPPMJS-UHFFFAOYSA-N	280.324	1.065	10	20	CDCD	
COc1cc(O)c(CN[C@@H]2CCN(C)[C@@H](C)C2)cc1OC	776222586	GCCHQJDSNPIZTF-WCQYABFASA-N	294.395	1.982	10	20	CDCD	
COCc1noc(COC(=O)c2cc(O)cs2)n1	777078042	JCMQNNCAYMNJOD-UHFFFAOYSA-N	270.266	1.340	10	20	CDCD	
Nc1c(NCc2ccccc2O)ncnc1-n1cccn1	774525369	ZKAJSAXVHRIIBE-UHFFFAOYSA-N	282.307	1.562	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1(N(C)C)CCC1	773766661	CVMPLCYGMNMWIQ-LLVKDONJSA-N	292.379	1.629	10	20	CDCD	
COc1cccc(CNCc2ccnc(N(C)C)n2)c1O	776497795	YIIAREPDEGLTKF-UHFFFAOYSA-N	288.351	1.547	10	20	CDCD	
CCc1cc(CNC(=O)/C=C/c2ccc(O)c(O)c2)on1	779521818	UZMFBWGCMZLEHL-GQCTYLIASA-N	288.303	1.978	10	20	CDCD	
CC[C@@H](NCc1nnn(C)n1)c1cc(Cl)ccc1O	787042979	QSWNPYSPJIDFST-SNVBAGLBSA-N	281.747	1.810	10	20	CDCD	
CC[C@@H]1CN(C(=O)NCc2ccc(N)cc2)CCCO1	1120592182	RCRAIHOVSPMYEV-CQSZACIVSA-N	277.368	1.979	10	20	CDCD	
C[C@@H](NC(=O)NC[C@@H]1CCCNC1)c1ccccc1O	891979517	PRJJHGHRLUYHJI-VXGBXAGGSA-N	277.368	1.752	10	20	CDCD	
COc1cc(C)cc(CNC(C)(C)CCO)c1O	894263957	BTXMHLXBBMSUOA-UHFFFAOYSA-N	253.342	1.960	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)OCCOCC(F)F	787747724	JTOSSLKNMYIVBD-DUXPYHPUSA-N	288.246	1.936	10	20	CDCD	
COc1ccc(CN(C)C2(CO)CC2)c(O)c1OC	895475386	HFYUHKIUTKQJKW-UHFFFAOYSA-N	267.325	1.366	10	20	CDCD	
COc1ccc(CNCC[C@@H](C)OC)c(O)c1OC	892806382	FFJRBKZGQZODJV-SNVBAGLBSA-N	269.341	1.924	10	20	CDCD	
Cc1cnn(C)c1S(=O)(=O)N(C)Cc1ccccc1O	795849147	SLWTVVOGTOFINB-UHFFFAOYSA-N	295.364	1.255	10	20	CDCD	
COc1ccc(CNC/C=C/CO)c(O)c1OC	895336476	GGBNQUPLOVUYRB-ONEGZZNKSA-N	253.298	1.048	10	20	CDCD	
COc1ccc(CNC(=O)CSCC(C)=O)c(O)c1	794376923	MMUVESYLHJSPLJ-UHFFFAOYSA-N	283.349	1.339	10	20	CDCD	
O=C(NCCNc1ccccc1)c1cccc(O)c1O	790745005	JURBBMDKKFPDDB-UHFFFAOYSA-N	272.304	1.940	10	20	CDCD	
COCCN1CC[C@H](NCc2cccc(C)c2O)C1	271805871	JWAOUXAWSLIFSD-AWEZNQCLSA-N	264.369	1.511	10	20	CDCD	
CC(C)(C)NCC(=O)NCCc1ccc(O)c(O)c1	1319661441	DEDMXWOZTLPIOG-UHFFFAOYSA-N	266.341	1.145	10	20	CDCD	
CN(Cc1ccccc1O)S(=O)(=O)c1ccco1	188708111	BIAFRBRPQPAMHF-UHFFFAOYSA-N	267.306	1.806	10	20	CDCD	
CNC1CC(C(=O)N(C)Cc2ccc(N(C)C)cc2)C1	693650617	NPWFUIFOKNDJMD-UHFFFAOYSA-N	275.396	1.709	10	20	CDCD	
CN1CCCC[C@H]1CNC(=O)NCCc1ccc(N)cc1	1338625375	INJIBXMRRDWRHO-HNNXBMFYSA-N	290.411	1.595	10	20	CDCD	
NC(=O)[C@@H]1CC[C@H](NCc2cc(F)cc(F)c2O)C1	883139755	YZQWTPLHODLAFG-XCBNKYQSSA-N	270.279	1.414	10	20	CDCD	
CC(C)CNC(=O)CNCc1cc(F)c(N(C)C)cc1F	1261787576	UIKOMNJEXKEUOK-UHFFFAOYSA-N	299.365	1.893	10	20	CDCD	
Cc1ccc(C(=O)N[C@H]2CN3CCC2CC3)c(O)c1O	1353787685	HEUHSHUENHYUDA-LBPRGKRZSA-N	276.336	1.230	10	20	CDCD	
Cc1ccc(O)c(CN[C@H](Cc2cncs2)C(=O)O)c1	1600465417	YJECXPLYWNKBAU-GFCCVEGCSA-N	292.360	1.943	10	20	CDCD	
O=C(N[C@]12CCC[C@H]1NCC2)N1Cc2cccc(O)c2C1	1580757431	VZLGCUXEAQXCCZ-ZBFHGGJFSA-N	287.363	1.702	10	20	CDCD	
CC[C@@H](NC[C@H](C)OC)c1cccc(-c2nn[nH]n2)c1O	1590469981	NTCMCNZCYDGLEA-JOYOIKCWSA-N	291.355	1.648	10	20	CDCD	
CCOc1cccc(CN2CCCC[C@H]2C(N)=O)c1O	162031213	QWSPNTCIWRUZCD-LBPRGKRZSA-N	278.352	1.631	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@H]2CCCNC2)cc1F	166456916	ALDLNHCJGIGFJW-GFCCVEGCSA-N	279.359	1.508	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CCN(C)[C@@H](C)C2)c1O	110727200	OAECOJZUTJUWJS-JTQLQIEISA-N	280.343	1.870	10	20	CDCD	
Cc1cccc(CNC[C@@H]2CN3CCC[C@H]3CO2)c1O	252762920	ZIMBLQLNGZYLDE-LSDHHAIUSA-N	276.380	1.653	10	20	CDCD	
Nc1ccc(CC(=O)NC2[C@H]3[C@H]4CC[C@@H](C4)[C@H]23)cc1	300407490	NCVYSUUNGNOAKZ-GVARAGBVSA-N	256.349	1.972	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CC[C@@]2(CCOC2)C1	187632403	IVFFMCIAAACMOS-CQSZACIVSA-N	263.293	1.350	10	20	CDCD	
CCc1cccc(CNC[C@@]2(O)CCSC2)c1O	702276600	CGKIKPRERKONTC-AWEZNQCLSA-N	267.394	1.912	10	20	CDCD	
CN(C[C@@H]1CCC[C@@H]1O)C(=O)Cc1ccc(N)cc1	708339705	AEQNCHYKTUTCSO-JSGCOSHPSA-N	262.353	1.431	10	20	CDCD	
CCc1cccc(CNC[C@@H](COC)OC)c1O	691494399	NWTUOHBUPMENFQ-ZDUSSCGKSA-N	253.342	1.706	10	20	CDCD	
C[C@@H]1CN(C(=O)NCc2ccc(N(C)C)c(F)c2)CCO1	57647616	MRWUINZNFDLUAX-LLVKDONJSA-N	295.358	1.822	10	20	CDCD	
COC(=O)NCCCC(=O)N(C)Cc1ccccc1O	107763488	WUQXLFLIMJJSGI-UHFFFAOYSA-N	280.324	1.487	10	20	CDCD	
O=C(NCc1ccc(N2CCCC2)cc1)c1cccc[n+]1[O-]	52807170	NLRQMGBIWQAJOL-UHFFFAOYSA-N	297.358	1.850	10	20	CDCD	
CN(C)c1ccc(CNC(=O)COC2CCNCC2)cc1	111796864	AFZXZPCSQQSKSD-UHFFFAOYSA-N	291.395	1.137	10	20	CDCD	
COc1ccc(O)c([C@H](C)NCCN2C(=O)CCC2=O)c1	182366125	FMRSYNNMVREQHC-JTQLQIEISA-N	292.335	1.200	10	20	CDCD	
CNCCN(C)Cc1cc(Cl)cc(C(C)=O)c1O	70303476	GMFZQEJZIWNWGI-UHFFFAOYSA-N	270.760	1.899	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)C1[C@H]2CCC[C@H]12	122906857	FRABACRAASXXQH-QWRGUYRKSA-N	261.321	1.803	10	20	CDCD	
C[C@H](NCCOCCO)c1ccc(N(C)C)cc1	37239920	YNWAPLWXMJABFH-LBPRGKRZSA-N	252.358	1.412	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1COCCO1	47953932	ZKXNHCJPESEIIR-AWEZNQCLSA-N	278.352	1.126	10	20	CDCD	
Oc1cccc(Cl)c1CNC[C@H]1COCCO1	83552033	UTKDBYLWLTWIMO-VIFPVBQESA-N	257.717	1.551	10	20	CDCD	
COc1ccc(O)c(CN2C[C@H](C)[C@@H](C(=O)O)C2)c1	86774729	VJVVJTUDGVQYRJ-CABZTGNLSA-N	265.309	1.553	10	20	CDCD	
Oc1cccc2c1[C@@H](NC[C@]1(O)CCSC1)CC2	297744373	OCYMIBHSDSEVEN-SMDDNHRTSA-N	265.378	1.837	10	20	CDCD	
Cc1nc(C(C)(C)NC(=O)c2ccc(C)c(O)c2O)no1	272868162	VUTGJCXLRKZBLP-UHFFFAOYSA-N	291.307	1.763	10	20	CDCD	
CN1CCCc2cc(CNC(=O)c3cncnc3)ccc21	273586295	GPRKKYCYLSOWFC-UHFFFAOYSA-N	282.347	1.789	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2C[C@@H](C)OC[C@H]2C)c1O	278153811	CQCAJARDRRVSPF-NXEZZACHSA-N	296.323	1.918	10	20	CDCD	
Cc1[nH]cnc1CC(=O)N(C)Cc1ccc(N(C)C)cc1	278561289	HTLKUQBARVCZQM-UHFFFAOYSA-N	286.379	1.985	10	20	CDCD	
CC(C)[C@]1(CO)CCN(C(=O)c2cccc(O)c2O)C1	378059150	YAYSNLDUAJTZMH-OAHLLOKOSA-N	279.336	1.578	10	20	CDCD	
C[C@@H]1[C@@H](N2CCCC2)CCN1C(=O)c1cccc(O)c1O	376412183	HDLJYKARIUZIBJ-YPMHNXCESA-N	290.363	1.797	10	20	CDCD	
CCCOc1ccc(CN2C[C@H](F)C[C@H]2C(N)=O)c(O)c1	284492920	BYZGTMAHKCKHKS-YPMHNXCESA-N	296.342	1.579	10	20	CDCD	
CC[C@H](C(=O)N1CCOc2cc(N(C)C)ccc21)N(C)C	298663268	SYQBODPYQKVBRN-CYBMUJFWSA-N	291.395	1.818	10	20	CDCD	
C[C@@H](CN(C)C)NCc1ccc(N(C)C)c(F)c1	290048440	GHMSXKIQNLNDQX-NSHDSACASA-N	253.365	1.931	10	20	CDCD	
CO[C@H](C)[C@@H](C)NC[C@H](N)c1ccc(N(C)C)cc1	817939339	BBWLIELJNBHSMN-JMSVASOKSA-N	265.401	1.765	10	20	CDCD	
C[C@H](N)CCN[C@@H](C)c1cc([N+](=O)[O-])ccc1O	817953834	UXNNIEQACDQQFJ-IUCAKERBSA-N	253.302	1.688	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC[C@H]2CNCCO2)c1	817983585	OMOJXNAITSHTFS-CMPLNLGQSA-N	266.341	1.040	10	20	CDCD	
Cc1cc(NS(=O)(=O)N=S(C)(C)=O)ccc1O	821191409	NFXZNKGUOLPCLG-UHFFFAOYSA-N	278.355	1.085	10	20	CDCD	
C[C@@H](NC(=O)CN(C)C(=O)C1CC1)c1ccccc1O	827937502	YKFYNNQHVNNWSY-SNVBAGLBSA-N	276.336	1.438	10	20	CDCD	
CC(C)(C)NCCC(=O)NCc1ccc(O)cc1O	822971620	GOLFYNGRWZQNML-UHFFFAOYSA-N	266.341	1.492	10	20	CDCD	
CCN(C(=O)/C=C\c1cnn(C)c1)c1cccnc1	727746747	WWGAFCLUJBXPDL-SREVYHEPSA-N	256.309	1.881	10	20	CDCD	
CCc1noc(C(=O)NCc2ccc(N(C)C)c(F)c2)n1	902622834	JJJPUCAMBQJXMI-UHFFFAOYSA-N	292.314	1.767	10	20	CDCD	
COc1cccc(CNC(=O)NOCC2CCC2)c1O	824062991	WNXVJKDVZWTHGS-UHFFFAOYSA-N	280.324	1.932	10	20	CDCD	
C[C@@H]1CN(c2ccc(/C=C/C(=O)O)cc2[N+](=O)[O-])C[C@@H]1O	833635580	VZLMEUHQTNXPNA-IXYVGOANSA-N	292.291	1.510	10	20	CDCD	
CO[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C[C@H]1C	836839007	XIWYPWVPWSXXEC-RAPKHVKHSA-N	291.347	1.994	10	20	CDCD	
CN(C)[C@@H]1CCCN(C(=O)Cc2ccc(N)cc2)CC1	831953041	SONFFPFMNKTFGU-OAHLLOKOSA-N	275.396	1.754	10	20	CDCD	
CN(C)c1ccnc(C(=O)NCc2ccccc2O)c1	749942400	XXXXONVYWOITSL-UHFFFAOYSA-N	271.320	1.783	10	20	CDCD	
CC(C)(C)[C@H](CN)NCc1cc2c(cc1O)OCO2	841087647	PFAAMOMMQTYWQF-ZDUSSCGKSA-N	266.341	1.584	10	20	CDCD	
C[C@@H](CCN)NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1	841882722	NJCBQVDGNIZCFT-RYUDHWBXSA-N	278.400	1.850	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H](C)CCCCN)c1O	841081572	YANHBFZYTUPCHG-JTQLQIEISA-N	297.355	1.916	10	20	CDCD	
COc1ccc(O)c(CN(C)Cc2nc(C)no2)c1	848928354	ZISBVLDOLRVMJR-UHFFFAOYSA-N	263.297	1.724	10	20	CDCD	
COC(=O)[C@@H](CC1CC1)NCc1cc(OC)ccc1O	840959629	ZBABSPMMVTUIEI-CYBMUJFWSA-N	279.336	1.832	10	20	CDCD	
COc1ccc(N2CC[C@H](NC(=O)CCC(=O)O)C2)cc1	849183371	PMRQLZILYBCPQX-NSHDSACASA-N	292.335	1.255	10	20	CDCD	
C[C@@H](NCc1ccc(N2CCN(C)CC2)cc1)C1CNC1	925764347	YNKVQDYFTBNNTE-CQSZACIVSA-N	288.439	1.136	10	20	CDCD	
C[C@@H](CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1)C(=O)O	848581617	AYFDUUXIAQHNOM-WDEREUQCSA-N	293.367	1.834	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)N[C@H](C)c2ncn(C)n2)c1	858376591	MUJVUDGUBZDALW-SNVBAGLBSA-N	289.339	1.390	10	20	CDCD	
CN1CCCc2cc(CNc3nc(N)nc(N)n3)ccc21	858373738	OWQANZNSODYELP-UHFFFAOYSA-N	285.355	1.031	10	20	CDCD	
COC[C@H](NC(=O)NCc1cc(C)ccc1O)C1CC1	858311613	JXYHIUFBLQZGFU-ZDUSSCGKSA-N	278.352	1.925	10	20	CDCD	
COc1cccc(O)c1CN(CCCO)C1CC1	769405239	QUAVOIRQKFAGRW-UHFFFAOYSA-N	251.326	1.748	10	20	CDCD	
Cc1cccc(O)c1CNC[C@@H]1CN(C)CCN1C	877031755	UXSAGRJPCHREEM-CYBMUJFWSA-N	263.385	1.036	10	20	CDCD	
CCN(C)c1ccc(CN2C[C@H](O)C[C@]2(C)CO)cc1	878983902	OEEXECLFYZPGNG-HZPDHXFCSA-N	278.396	1.460	10	20	CDCD	
C[C@@H](O)C[C@@H](C)NCc1ccc(N2CCC(O)CC2)cc1	877196030	RLCCNOMIZTWBGD-ZIAGYGMSSA-N	292.423	1.897	10	20	CDCD	
COC1(CO)CCN(Cc2ccccc2O)CC1	775203281	DQBAJYFHIXCRDV-UHFFFAOYSA-N	251.326	1.366	10	20	CDCD	
OCCCCN1CCN(Cc2cc(F)ccc2O)CC1	779016869	UWCJKELJSISUPP-UHFFFAOYSA-N	282.359	1.421	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CN2CC=CCC2)cc1	778967393	CNMLOPOKLNCBKZ-UHFFFAOYSA-N	273.380	1.631	10	20	CDCD	
COC(=O)[C@@H](C)NCc1cc(C)cc(OC)c1O	894629753	NCQQAZBDUWJVJX-SECBINFHSA-N	253.298	1.360	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NCCC(=O)NC(C)C)c1	135728486	DHVOKBWOIZYMMH-LLVKDONJSA-N	280.368	1.966	10	20	CDCD	
C[C@H](NC(=O)c1cccc(O)c1O)[C@H]1CCCCO1	279753097	CRYOPRWEZOKMKU-JOYOIKCWSA-N	265.309	1.785	10	20	CDCD	
OCC[C@H]1CCC[C@@H]1NCc1cc2c(cc1O)OCO2	189932976	BBTNVYOUJFVZQZ-PWSUYJOCSA-N	279.336	1.762	10	20	CDCD	
CN1CCCC[C@H]1C(=O)NCCc1ccc(O)c(O)c1	762263258	DAHPXFSTDYTZBP-LBPRGKRZSA-N	278.352	1.241	10	20	CDCD	
O=C(O)[C@@H]1OCC[C@@H]1CNCc1ccc2c(c1)CCO2	716167845	LIZADPUTQLDORO-TZMCWYRMSA-N	277.320	1.201	10	20	CDCD	
CCOC(=O)[C@H](NCc1cccc(OC)c1O)C1CC1	1338881604	NHCKKQMVDRAGPH-CYBMUJFWSA-N	279.336	1.832	10	20	CDCD	
NC1(CNC(=O)NCc2c(O)ccc3c2CCCC3)CC1	1337024283	OUIMRLANNLNMSY-UHFFFAOYSA-N	289.379	1.562	10	20	CDCD	
Cc1cc(C(=O)N[C@H]2C[C@@H](N)C2)c(C)n1-c1ccccn1	1263321294	CDTGNPXABSCKRY-BETUJISGSA-N	284.363	1.709	10	20	CDCD	
C[C@H]1C[C@@H](CN(C)c2ccc(OCC(=O)O)cc2)CCN1	1609842789	RAMCYFLPTQHMKY-STQMWFEESA-N	292.379	1.974	10	20	CDCD	
Cc1cc(O)c(CN2CCO[C@@H](C(=O)O)C2)cc1Cl	1607698554	AONVGUBNJINXLE-GFCCVEGCSA-N	285.727	1.639	10	20	CDCD	
C[C@H](NC(=O)c1ccc(C(=O)O)n1C)c1ccccc1O	1599900676	MIFZXWDBLXWIIT-VIFPVBQESA-N	288.303	1.920	10	20	CDCD	
CN(Cc1oncc1C(=O)O)c1ccc2c(c1)OCO2	1598540571	ANGYLQMTAWNKMX-UHFFFAOYSA-N	276.248	1.738	10	20	CDCD	
O=c1[nH]ncc(NCc2ccccc2O)c1Cl	163773250	PQJAWMDHSXWVOQ-UHFFFAOYSA-N	251.673	1.741	10	20	CDCD	
CCC[C@@](C)(O)C(=O)NCCc1ccc(O)c(O)c1	157997855	RRABPJSOHSLLTQ-CQSZACIVSA-N	267.325	1.308	10	20	CDCD	
C[C@]1(C(=O)NCCc2ccc(O)c(O)c2)CC1(F)F	817549634	NEEDOJSDJUXFCF-GFCCVEGCSA-N	271.263	1.802	10	20	CDCD	
CN(C)c1ccc(CNC2COC(C)(C)OC2)cc1	230695450	NIGNNFNGVCXUFQ-UHFFFAOYSA-N	264.369	1.994	10	20	CDCD	
O=C(NCCCCn1ccnc1)c1cccc(O)c1O	126363612	LXWSZKPESQWDND-UHFFFAOYSA-N	275.308	1.505	10	20	CDCD	
CCOc1ccccc1NC[C@H](O)CN1CCCC1	37874983	BVGHAQPYBSMCCD-ZDUSSCGKSA-N	264.369	1.954	10	20	CDCD	
O=C(NCc1ccccc1O)[C@H]1CNCCC1(F)F	717384847	UMDAGSGYDGKAIL-SNVBAGLBSA-N	270.279	1.253	10	20	CDCD	
COc1ccc(O)c(CNCCc2cnccn2)c1	389920256	FJYJNTGJASVAQB-UHFFFAOYSA-N	259.309	1.523	10	20	CDCD	
CCCN(CC(=O)NCCOCC)Cc1ccccc1O	175949019	DYPQQIGMINUNDX-UHFFFAOYSA-N	294.395	1.757	10	20	CDCD	
CC(C)(CCO)NCc1ccc(N2CCOCC2)c(F)c1	304345119	QEBKHWCOXIHTHM-UHFFFAOYSA-N	296.386	1.913	10	20	CDCD	
Cc1nccc(C(=O)NCCc2ccc(O)c(O)c2)n1	122605439	DBNMKIASIKTCRG-UHFFFAOYSA-N	273.292	1.169	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC[C@@H](O)CSC)c1	188224548	LEQDZOKPCXRVIX-NXEZZACHSA-N	271.382	1.775	10	20	CDCD	
CCN(C)C(=O)[C@@H](C)NCc1cc(C)c(C)cc1O	188894964	UVBRJUOLVFZLDC-GFCCVEGCSA-N	264.369	1.965	10	20	CDCD	
COC(=O)N1CC(N[C@H](C)c2cc(C)ccc2O)C1	186137235	AMNBTFYVVFSZCS-SNVBAGLBSA-N	264.325	1.802	10	20	CDCD	
Cc1cc(C(=O)NCCc2ccc(O)c(O)c2)ncn1	159820214	SSINWMYLZQZABN-UHFFFAOYSA-N	273.292	1.169	10	20	CDCD	
CC(C)N1CC[C@H](N(C)Cc2ccccc2O)C1=O	177676341	HESDZLJCVUHNKU-ZDUSSCGKSA-N	262.353	1.833	10	20	CDCD	
Cc1ccc(O)c(CN2C[C@H](C)O[C@H](CO)C2)c1	191520811	UOFFQJCDZAOOTM-AAEUAGOBSA-N	251.326	1.282	10	20	CDCD	
O=[N+]([O-])c1cnc(Sc2nnc(CO)n2C2CC2)s1	192517940	HBUIIRSJGOBEDN-UHFFFAOYSA-N	299.337	1.621	10	20	CDCD	
C[C@H]1CN(Cc2ccc(N(C)C)cc2)C[C@H](C)S1(=O)=O	289696495	XTHBTUJNYAYVNK-STQMWFEESA-N	296.436	1.760	10	20	CDCD	
CNC(=O)[C@H](CCSC)NCc1ccc2c(c1)CCO2	808436921	FKBBTHVHTZHRLJ-ZDUSSCGKSA-N	294.420	1.579	10	20	CDCD	
COc1cccc(O)c1CNc1ccc(CCO)nc1	808431937	AMEWTTKIPCHZBN-UHFFFAOYSA-N	274.320	1.943	10	20	CDCD	
Cc1c(CNC(=O)[C@H]2CC[C@@H]2C(N)=O)n(C)c2ccccc12	568217133	IXVNPMJHKPTPRQ-STQMWFEESA-N	299.374	1.614	10	20	CDCD	
CSC[C@@H](O)CNCc1ccc(N(C)C)c(F)c1	818984556	CBIDRXLYTHYELQ-NSHDSACASA-N	272.389	1.705	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N1CCC[C@@H](CO)CC1	819240909	YNULTIHYGVFPIF-RYWCDNDXSA-N	291.347	1.732	10	20	CDCD	
COCC(COC)NCc1c(O)ccc(Cl)c1F	824921062	DAEZOCQWPNBPQF-UHFFFAOYSA-N	277.723	1.936	10	20	CDCD	
Cc1cccc(CN(C)C2(CO)CCOCC2)c1O	827909367	UUFPEYUVTZLWJV-UHFFFAOYSA-N	265.353	1.674	10	20	CDCD	
COc1cccc(O)c1CN1CCC[C@H]2CN(C)C[C@H]21	822520465	CMIBZEZEJMSJJM-GXTWGEPZSA-N	276.380	1.927	10	20	CDCD	
COC(=O)[C@H]1C[C@@H](NCc2cc3c(cc2O)OCO3)C1	827501303	UJMYYJILEJJGMW-WAAGHKOSSA-N	279.292	1.162	10	20	CDCD	
COc1ccc(O)c(CNC(=O)C2(C)CCOCC2)c1	734016364	MCZFGQQQRADCEU-UHFFFAOYSA-N	279.336	1.834	10	20	CDCD	
COCCCCC(=O)NC[C@H](N)c1ccc(N(C)C)cc1	832279832	LCWUOMVLXIIJMU-HNNXBMFYSA-N	293.411	1.685	10	20	CDCD	
CC(C)C[C@H](C(N)=O)C(=O)NCc1ccccc1O	839612042	MQDDQBIYCOTPRU-LLVKDONJSA-N	264.325	1.156	10	20	CDCD	
O=C(O)CN(Cc1ccccc1O)C(=O)C[C@H]1CCCO1	911488188	ZZVNMISGKICRDC-GFCCVEGCSA-N	293.319	1.375	10	20	CDCD	
CC[C@@H](CO)C(=O)NCc1cc(Cl)ccc1O	846472870	GKFZGLJEUBVBAM-QMMMGPOBSA-N	257.717	1.680	10	20	CDCD	
NC[C@@H]1CCCC[C@@H]1NCc1cc2c(cc1O)OCO2	841029502	HVZXHQXQBNSHMW-JQWIXIFHSA-N	278.352	1.728	10	20	CDCD	
COc1ccc(N(C)CCN(C)CCn2ccnc2)cc1	844401387	MYIRDNVXGXPHEU-UHFFFAOYSA-N	288.395	1.960	10	20	CDCD	
CN1CCC[C@@H](NCc2ccc(N(C)C)c(F)c2)C1=O	748241584	AKRNYPOXIBIGFD-CYBMUJFWSA-N	279.359	1.602	10	20	CDCD	
CCc1cccc(CN2CCN(CC)C(=O)C2)c1O	848901765	BVCPCNPRYPHIGJ-UHFFFAOYSA-N	262.353	1.619	10	20	CDCD	
CCC[C@@H](O)CCNCc1cc([N+](=O)[O-])ccc1O	922824454	GIHGGFJRORTTAV-GFCCVEGCSA-N	268.313	1.941	10	20	CDCD	
CN(C[C@@H](O)COC[C@@H]1CCCO1)c1ccc(N)cc1	923401202	RXUOQDVBCMVXMY-CABCVRRESA-N	280.368	1.262	10	20	CDCD	
CCOc1cccc(CN[C@H]2CCCN(CC)C2=O)c1O	922639692	NXNPOKNBQXXNJA-ZDUSSCGKSA-N	292.379	1.891	10	20	CDCD	
Cn1ccc(CC(=O)NCc2cc(Cl)ccc2O)n1	857548115	DOTKXNROMPXBRS-UHFFFAOYSA-N	279.727	1.638	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)N[C@H]2CCN(C)[C@H](C)C2)c1	858283942	AGQGOKQLUOHZLO-OCCSQVGLSA-N	291.395	1.983	10	20	CDCD	
Cc1ccc(C(=O)OCC(=O)N2CCCC2)c(O)c1O	750621864	LKFVGSXTCHNUIJ-UHFFFAOYSA-N	279.292	1.185	10	20	CDCD	
O=C1CC[C@H](Sc2ncc(Cl)s2)C(=O)N1	850000009	GLRWDACDJAHDEC-BYPYZUCNSA-N	262.743	1.694	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1cc(O)ncn1	859421118	MJLCWSVZONJBCN-UHFFFAOYSA-N	286.335	1.487	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc(C=O)[nH]1	935947955	ITCAHBACCAZUAU-UHFFFAOYSA-N	293.319	1.949	10	20	CDCD	
Cc1nnc([C@@H](C)NC(=O)c2cc(O)cs2)o1	769213152	UPHKNQMILFFTNJ-RXMQYKEDSA-N	253.283	1.636	10	20	CDCD	
COC[C@H]1C[C@@H](O)CN1Cc1ccc(N2CCCC2)cc1	1118239193	AFKGQMMJZVLHJW-IAGOWNOFSA-N	290.407	1.868	10	20	CDCD	
Cc1cccc(O)c1CN1CCN([C@@H]2CCC[C@H]2O)CC1	876688701	VYOASUSSSKUQLJ-NVXWUHKLSA-N	290.407	1.732	10	20	CDCD	
CCCOc1ccc(CN[C@@H]2COC[C@H]2O)cc1C	873130056	WUUKSZBRMPAAFG-ZIAGYGMSSA-N	265.353	1.633	10	20	CDCD	
CN(Cc1cnn(C)c1)C(=O)/C=C\c1ccc(O)c(O)c1	779499372	LHNZDZXAVDXQHK-XQRVVYSFSA-N	287.319	1.503	10	20	CDCD	
CO[C@H](C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)C(C)C	773761237	HGKONRBXIXDUIY-HZMBPMFUSA-N	281.352	1.816	10	20	CDCD	
C[C@H](NC(=O)N1CC[C@](C)(O)C1)c1ccc(N(C)C)cc1	776250209	SOUCYTJXKWYBRQ-LRDDRELGSA-N	291.395	1.980	10	20	CDCD	
C[C@@H]1C[C@@H](CNC(=O)c2cc(O)cs2)CCO1	771416148	LHLZSIIGPRLNKF-BDAKNGLRSA-N	255.339	1.999	10	20	CDCD	
CC[C@H](NCCN1CCNC1=O)c1ccc(C)cc1O	886745409	WIXDJPMGJGOJFP-ZDUSSCGKSA-N	277.368	1.767	10	20	CDCD	
C[C@@H](NCC(=O)NCC(F)F)c1c(O)cccc1F	886604745	BSKWZPSMHUXZHT-SSDOTTSWSA-N	276.258	1.563	10	20	CDCD	
CC(C)[C@@H](O)Cc1cn(Cc2ccc(N(C)C)cc2)nn1	881272429	URXFVFCFIUORTL-INIZCTEOSA-N	288.395	1.952	10	20	CDCD	
COC[C@H](CO)NCc1ccc2ccccc2c1O	894621293	VAKRAUBUNMNRLG-ZDUSSCGKSA-N	261.321	1.642	10	20	CDCD	
CCOc1cccc(CN2[C@@H](C)[C@@H](C)NC(=O)[C@H]2C)c1O	895117306	SOTHHIQFTMHPFF-GRYCIOLGSA-N	292.379	1.888	10	20	CDCD	
CCC[C@@H](NC(=O)NCc1ccc(N(C)C)cc1)C(=O)O	780349227	FSXNAUISEZOYNB-CYBMUJFWSA-N	293.367	1.805	10	20	CDCD	
CS(=O)(=O)C1(CNC(=O)c2cc(O)cs2)CCC1	795531315	HRPDXXRQYOOVOC-UHFFFAOYSA-N	289.378	1.151	10	20	CDCD	
CSc1cc(O)ccc1NS(=O)(=O)c1ccnn1C	792702898	HTAFSMYIVLUAIH-UHFFFAOYSA-N	299.377	1.648	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)OCC(F)(F)F	172043693	AZUHDYKXJWBABN-UHFFFAOYSA-N	279.214	1.929	10	20	CDCD	
C[C@H](O)CNCc1cc(Br)cc(F)c1O	715714642	WTNKMKZIUXJSRR-LURJTMIESA-N	278.121	1.764	10	20	CDCD	
CC(C)(CN1CCCC1)NC(=O)NCc1ccc(N)cc1	1337070555	RQVKXUYFHJFHOT-UHFFFAOYSA-N	290.411	1.942	10	20	CDCD	
O=C(NCc1cccc(O)c1O)c1ncc2n1CCCC2	1349079791	QYNCRTQPRMRUCT-UHFFFAOYSA-N	287.319	1.561	10	20	CDCD	
CO[C@@H](C(=O)NCc1cccc(O)c1O)C1CCCC1	1347233260	GHJKTIFJNQEQSY-CQSZACIVSA-N	279.336	1.919	10	20	CDCD	
O=C(C[C@@H]1CSCCS1)NCc1cccc(O)c1O	1528771366	OEUGPVNBWJYENA-SNVBAGLBSA-N	299.417	1.953	10	20	CDCD	
Cn1nc(NC(=O)NCc2ccccc2O)cc1C(=O)O	1608150718	HRCCGNARSCRSEA-UHFFFAOYSA-N	290.279	1.146	10	20	CDCD	
Cn1nc(NC(=O)c2cc(O)cs2)cc1C(=O)O	1601014848	DGHYHVAMDMBXGC-UHFFFAOYSA-N	267.266	1.138	10	20	CDCD	
Oc1cccc(Br)c1CNC[C@H]1CCN1	1580888428	KYJHKBMWSJRITF-MRVPVSSYSA-N	271.158	1.606	10	20	CDCD	
C[C@H](NC[C@@H](C)N(C)C)c1cccc(-c2nn[nH]n2)c1O	1589956846	DQTHWYVJNBNNID-ZJUUUORDSA-N	290.371	1.173	10	20	CDCD	
C[C@H](NCC(F)(F)CN)c1cc(C(=O)O)ccc1O	1593249573	XKSHVCKUHZWYCJ-ZETCQYMHSA-N	274.267	1.335	10	20	CDCD	
COc1ccc(O)c(CN2CCC[C@@H](C)[C@@H]2CN)c1	226338619	KIRIKKWBIQMVND-RISCZKNCSA-N	264.369	1.960	10	20	CDCD	
COc1ccc(O)c(CN(C)[C@H](C)C[S@@](C)=O)c1	130957203	PIBQNJTWKWXFQG-MGNBDDOMSA-N	271.382	1.600	10	20	CDCD	
C[C@H](N[C@H](C)CN1CCOCC1)c1ccccc1O	36933246	DWJRVQMBGSEXHD-OLZOCXBDSA-N	264.369	1.764	10	20	CDCD	
C[C@@H](Cn1ccnc1)NCc1ccc2c(c1)CCO2	37363571	IRYZOXRVOFPCAY-LBPRGKRZSA-N	257.337	1.996	10	20	CDCD	
COc1cc(Cl)cc(CN[C@H]2CC(=O)N(C)C2)c1O	273739666	LQRMWEOMFYVHIM-JTQLQIEISA-N	284.743	1.375	10	20	CDCD	
CC(=O)N1CCC[C@H](C(=O)NCc2ccc(N)cc2)C1	700910114	JKAKSNVNFOPJQD-ZDUSSCGKSA-N	275.352	1.144	10	20	CDCD	
COC[C@H]1CCCN1Cc1cc2c(cc1O)OCO2	702873873	BCDUKYLJJFAEIL-LLVKDONJSA-N	265.309	1.732	10	20	CDCD	
CN(CCN1C(=O)NC(C)(C)C1=O)Cc1ccccc1O	111235077	WFHUMMMTHYWNPW-UHFFFAOYSA-N	291.351	1.154	10	20	CDCD	
Cc1cccc(CN2CCC[C@@H]2C(=O)NC2CC2)c1O	179726340	AZQKDKSWORIKMA-CQSZACIVSA-N	274.364	1.944	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2cnns2)cc1F	69914670	NIGLZJCEJRCEAS-UHFFFAOYSA-N	280.328	1.673	10	20	CDCD	
COCCCC(=O)NCCc1ccc(O)c(O)c1	122366684	GUZATTUNNGEPDU-UHFFFAOYSA-N	253.298	1.183	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNCC(C)(C)S(C)(=O)=O	127348105	GKECDXURLVBECA-UHFFFAOYSA-N	298.452	1.974	10	20	CDCD	
C[C@H]1C(=O)NCCN1Cc1ccc(N2CCCCC2)cc1	123405014	SLPVQIUAOZYSIJ-AWEZNQCLSA-N	287.407	1.997	10	20	CDCD	
Cc1nccc(C(=O)NCc2ccc(N(C)C)cc2)n1	48608811	FGTFKQALGXBRGV-UHFFFAOYSA-N	270.336	1.781	10	20	CDCD	
CCn1nccc1C(=O)NCc1cccc(OC)c1O	131833764	GERBXJKLWFOSEG-UHFFFAOYSA-N	275.308	1.547	10	20	CDCD	
CCN(CC)c1ccc(CN(CCO)CCCO)cc1F	93323919	SWZGYPUXZBCBOZ-UHFFFAOYSA-N	298.402	1.849	10	20	CDCD	
Cc1ccc(C(=O)N2CCC[C@@]23CCOC3=O)c(O)c1O	275240855	KSXXXLMANSQASR-HNNXBMFYSA-N	291.303	1.328	10	20	CDCD	
CCOc1ccc(O)c(CNCc2cc(C(N)=O)no2)c1	273405155	NDQGEBWJYLXASD-UHFFFAOYSA-N	291.307	1.168	10	20	CDCD	
CC[C@@H](NCC(=O)N1CCOCC1)c1ccc(F)cc1O	285973107	GEKCDMGJPITIRG-CYBMUJFWSA-N	296.342	1.431	10	20	CDCD	
CC(=O)C(=O)CSc1nnc(-c2ccccn2)n1C	808025824	GQIPMZJGNHVNTE-UHFFFAOYSA-N	276.321	1.127	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)N[C@H]2C[C@@H](O)C2)cc1	297357508	LGQJYOHDFZBRGL-OTVXOJSOSA-N	291.395	1.855	10	20	CDCD	
CC(C)[C@H](C(=O)NCc1ccccc1O)N1CCCC1=O	299471556	CELKGUZLQJNBJU-OAHLLOKOSA-N	290.363	1.655	10	20	CDCD	
C[C@H](NCCC(=O)O)c1ccc(N2CCOCC2)c(F)c1	818046358	UHKVOFJSDGBIJD-NSHDSACASA-N	296.342	1.788	10	20	CDCD	
O=C(O)C[C@@H]1CCCN(Cc2cc3c(cc2O)OCO3)C1	819380462	NPGAGOMJLSPWST-JTQLQIEISA-N	293.319	1.808	10	20	CDCD	
CCOc1ccc(CNCCCC(=O)O)c(O)c1	818240110	VSHODNHTTFHHDG-UHFFFAOYSA-N	253.298	1.745	10	20	CDCD	
C[C@@H](NCCN1CCCOCC1)c1ccccc1O	812830831	XVMSNZMPSTYNHL-CYBMUJFWSA-N	264.369	1.765	10	20	CDCD	
CCOc1ccc(CNCCCn2cncn2)c(O)c1	728783016	XIZFDAKIWJWZIR-UHFFFAOYSA-N	276.340	1.562	10	20	CDCD	
COC(=O)c1ccc(NCCc2ccc(O)c(O)c2)nc1	813592167	HKEOIXUBUHCMOP-UHFFFAOYSA-N	288.303	1.934	10	20	CDCD	
CN1CN(Cc2ccc(Br)cc2O)CC1=O	825476109	YPAXZJKPGYVXTM-UHFFFAOYSA-N	285.141	1.386	10	20	CDCD	
O=C1CC[C@@H]2CN(Cc3cc(F)ccc3O)CC[C@@H]2N1	827132759	OFIFAWZOQHSRKG-MFKMUULPSA-N	278.327	1.632	10	20	CDCD	
Cc1cc(O)c(CN2CCCN(C=O)CC2)cc1C	827871444	ANUGJEGONJAHEK-UHFFFAOYSA-N	262.353	1.673	10	20	CDCD	
COc1cccc(CN2C[C@@H]3[C@@H](C2)[C@H]2C=C[C@H]3O2)c1O	824838431	NWQLMMJKCWHOGT-AAVRWANBSA-N	273.332	1.786	10	20	CDCD	
Cc1cc(O)c(CN[C@H]2C(=O)NCC[C@H]2C)cc1Cl	825773618	LVHHEEDIWIBTBA-AMIZOPFISA-N	282.771	1.968	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@]2(F)CCNC2)c1	828667028	LTWORGPLZSJPQC-XPTSAGLGSA-N	282.315	1.280	10	20	CDCD	
CS(C)(=O)=NS(=O)(=O)Nc1ccc(O)c(Cl)c1	821190967	IQOIORVXYDRFRF-UHFFFAOYSA-N	298.773	1.430	10	20	CDCD	
Nc1ccc(NC(=O)c2cc([C@H]3CCNC3)[nH]n2)cc1	832243963	BGGWNYUJQDALJX-VIFPVBQESA-N	271.324	1.321	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)NOCc1cccnc1	588404952	XCKKGVLPXRVLDC-XQRVVYSFSA-N	286.287	1.754	10	20	CDCD	
COc1ccc(CNC(=O)c2cnc(C)n2C)c(O)c1	907924910	AQBKYQBQMNKRDT-UHFFFAOYSA-N	275.308	1.373	10	20	CDCD	
CO[C@@H](CN)CC(=O)NCc1c(O)ccc2c1CCCC2	830597492	LEJLQPIEXFNXHR-GFCCVEGCSA-N	292.379	1.251	10	20	CDCD	
COC1(CNC(=O)c2c(F)ccc(O)c2O)CCCC1	832953924	GNXWMYOGQYJONY-UHFFFAOYSA-N	283.299	1.926	10	20	CDCD	
O=C(CCC1CCOCC1)NCc1ccc(O)cc1O	910950783	IBJIELXZZWWWLL-UHFFFAOYSA-N	279.336	1.921	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N1CC[C@H](F)C1	836821243	XKMYGJAWCKELQW-GQPNGRKGSA-N	251.257	1.681	10	20	CDCD	
COC[C@]1(CNCc2ccc(OC)c(C)c2)CCCN1	841067710	OWMKRNFFWHQFLK-MRXNPFEDSA-N	278.396	1.862	10	20	CDCD	
CN(C)c1ccc([C@@H](N)CNC[C@H]2CCCOC2)cc1	841046238	YHWWJTOMGYWWJN-CJNGLKHVSA-N	277.412	1.769	10	20	CDCD	
Cc1cc(O)c(CN2[C@H]3CC[C@H]2CC(=O)NC3)cc1C	748262426	FDXSIDQZDOQIEH-KBPBESRZSA-N	274.364	1.862	10	20	CDCD	
C[C@H]1C(=O)N(C)[C@H](C)[C@H](C)N1C(=O)c1cc(O)cs1	912014260	QYPWLYBXDBLVKH-VGMNWLOBSA-N	282.365	1.533	10	20	CDCD	
CC[C@H](C(=O)NCc1ccc(OC)cc1O)[C@H](C)O	842257023	HEAQFVMRFUMVQW-CABZTGNLSA-N	267.325	1.424	10	20	CDCD	
C[C@H](CCN(C)C)NC(=O)NCCc1ccc(N)cc1	841749085	AARNZWOSHRUVHC-GFCCVEGCSA-N	278.400	1.451	10	20	CDCD	
CC[C@@H](N[C@H](C)C(=O)N(C)OC)c1ccc(F)cc1O	858588370	ZQLJQRGBUVVGGC-BXKDBHETSA-N	284.331	1.980	10	20	CDCD	
COc1ccc(O)c([C@@H](C)N[C@@H]2CCN(C(C)=O)C2)c1	857068437	UKNHIBLSVMYZQL-ZYHUDNBSSA-N	278.352	1.672	10	20	CDCD	
CCOc1ccc(O)c(CN[C@H]2COC[C@@H]2C)c1	922641587	PCHRTVNFHYWRII-GWCFXTLKSA-N	251.326	1.915	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)OCC[C@@H]1CCOC1=O	759597470	ZSNCKWJQLUMUOP-JRBALWBOSA-N	292.287	1.607	10	20	CDCD	
Cc1cc(C(=O)NC/C=C/CO)c(C)n1-c1ccccn1	855404353	UKZVQUDIQOSVOI-AATRIKPKSA-N	285.347	1.767	10	20	CDCD	
COC[C@H](C)NC(=O)NCc1cc(C)ccc1O	858108865	MGWNKUKXCXOENH-JTQLQIEISA-N	252.314	1.535	10	20	CDCD	
CNS(=O)(=O)NCc1cc(C)n(-c2ccccc2)c1C	859362594	DMMSMVKWHHYYPO-UHFFFAOYSA-N	293.392	1.648	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)CCc2nc[nH]n2)c1	862758220	SWFXXBVIZAWMJT-UHFFFAOYSA-N	260.297	1.068	10	20	CDCD	
CCN(C)C(=O)[C@@H](C)NCc1ccc(C)cc1O	877469422	VCQYTKBZZGHPKN-LLVKDONJSA-N	250.342	1.657	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)CCn2cc(C)cn2)c1	862759134	WYRZGSVUNOCKRB-UHFFFAOYSA-N	273.336	1.912	10	20	CDCD	
CNC(=O)[C@@H](C)CN(C)Cc1c(C)cccc1O	876798864	QUGQFZQRQRHFEU-NSHDSACASA-N	250.342	1.515	10	20	CDCD	
CN(Cc1cc2c(cc1O)OC[C@@H]2O)Cc1cccn1C	768462685	BJWITQHSICNRDN-HNNXBMFYSA-N	288.347	1.789	10	20	CDCD	
CNC(=O)[C@H]1CCC[C@@H]1NCc1ccc(N(C)C)c(F)c1	765797233	QXHOGQAVJAMONY-JSGCOSHPSA-N	293.386	1.896	10	20	CDCD	
CCOc1cc(C(=O)NCCc2ccc(O)c(O)c2)[nH]n1	1118741440	XQUUEYYRMPBIIC-UHFFFAOYSA-N	291.307	1.192	10	20	CDCD	
OCC[C@]1(NCc2c(O)ccc(Cl)c2F)CCOC1	775029524	OUWSLDMDOMETQY-ZDUSSCGKSA-N	289.734	1.816	10	20	CDCD	
Cc1ccc(C(=O)NOC2CCOCC2)c(O)c1O	775247137	BYUIXBBOGOTJFC-UHFFFAOYSA-N	267.281	1.247	10	20	CDCD	
C[C@@H](NC[C@@H](O)Cn1cccn1)c1ccc(N(C)C)cc1	775833488	JXOKFGCHLCKCIA-CZUORRHYSA-N	288.395	1.661	10	20	CDCD	
O=C(O)[C@H]1C[C@H](NCc2cccc(Cl)c2O)C1	874053486	DGHJYGMDAWMLAE-KYZUINATSA-N	255.701	1.998	10	20	CDCD	
CC[C@]1(O)CCN(Cc2cc3c(cc2O)OCO3)C1	779217729	AEVMRTRCWOEAPR-AWEZNQCLSA-N	265.309	1.468	10	20	CDCD	
C[C@H](NC[C@H]1COCCO1)c1c(O)cccc1F	886507571	QIOXIIIEXMQLIN-UWVGGRQHSA-N	255.289	1.597	10	20	CDCD	
CN1CCN(c2ccc(CN3CC[C@H](CO)C3)cc2)CC1	775669058	DDUGKDPSCLJBKH-INIZCTEOSA-N	289.423	1.253	10	20	CDCD	
C[C@@H](NCCN1CCNC1=O)c1ccc(Cl)cc1O	886744772	GJNSWBBBQQQCCT-SECBINFHSA-N	283.759	1.721	10	20	CDCD	
C[C@H](NCC(=O)NCC1CC1)c1c(O)cccc1F	886586790	XHFPELUFFFJNME-VIFPVBQESA-N	266.316	1.708	10	20	CDCD	
COc1cc(O)c(CNCCN2CC[C@H](C)C2)cc1OC	777483255	KINOWXRHMWRFKZ-LBPRGKRZSA-N	294.395	1.841	10	20	CDCD	
CCn1[nH]cnc1=NCc1ccc(N(C)C)cc1C	1120784179	FZMXEPURNZTABS-UHFFFAOYSA-N	259.357	1.706	10	20	CDCD	
Cc1ccc(O)c(CN2C[C@H](O)C[C@]2(C)CO)c1	895332629	XBXBMGRAIFLJQR-TZMCWYRMSA-N	251.326	1.018	10	20	CDCD	
COc1ccc(CN2CC[C@@H](O)[C@H]2C)c(O)c1OC	894753399	KQFVGMKGOZTLEU-MWLCHTKSSA-N	267.325	1.365	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N2CC[C@@H]2CO)cc1	891605690	BZMQXQJCOCALOR-CYBMUJFWSA-N	263.341	1.029	10	20	CDCD	
COc1ccc(CNc2nccc(N(C)C)n2)c(O)c1	795283577	CGNTXCCGGLEUSD-UHFFFAOYSA-N	274.324	1.869	10	20	CDCD	
COc1ccc(CNC(=O)NCCC2(O)CCC2)c(O)c1	790970244	ACQICKAAGUAPLT-UHFFFAOYSA-N	294.351	1.505	10	20	CDCD	
COC1(OC)CC(CNC(=O)c2cccc(O)c2O)C1	1339385254	MBPOMNWGNACZMO-UHFFFAOYSA-N	281.308	1.227	10	20	CDCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2N[C@@H]1COC[C@@H]1O	1329375122	JENYJBAVVXDNEL-UZWSLXQKSA-N	263.337	1.598	10	20	CDCD	
COc1ccc(N2CCCN(C[C@H](C)O)CC2)cc1	194950948	KMLMVGDKCDSXHM-ZDUSSCGKSA-N	264.369	1.588	10	20	CDCD	
C[C@H](NC[C@@H](O)[C@H](C)O)c1ccc(N(C)C)cc1	717288011	MZTRAMCFOAAAKX-COPLHBTASA-N	252.358	1.145	10	20	CDCD	
CO[C@@H](C(=O)NCc1cccc(O)c1O)C1CCC1	1263896335	WJXUMBURBLRLPX-CYBMUJFWSA-N	265.309	1.529	10	20	CDCD	
Cc1ccc(C(=O)N2CC[C@]3(CCOC3=O)C2)c(O)c1O	1347726022	SXROEVZDIGBIMI-HNNXBMFYSA-N	291.303	1.185	10	20	CDCD	
CN(C)c1ccc([C@H](N)CNC(=O)[C@@H]2C[C@H]2F)cc1	1521145489	VZGIOQITWUPVAG-JHJVBQTASA-N	265.332	1.227	10	20	CDCD	
C[C@@H](C(=O)NCc1ccc(N)cc1)c1cnn(C)c1	1524009949	YSLJVJQAFQLNMR-SNVBAGLBSA-N	258.325	1.422	10	20	CDCD	
O=C(O)CC1CC(NC(=O)/C=C/c2ccc(O)c(O)c2)C1	1601942515	ITFPPVLGGXRMPM-DUXPYHPUSA-N	291.303	1.481	10	20	CDCD	
COc1cc(C)cc(CN2CCC[C@@H](O)[C@@H]2C(=O)O)c1O	1607149354	JTOGMAUNVBMXAH-DGCLKSJQSA-N	295.335	1.119	10	20	CDCD	
COc1ccc(CN[C@@H]2CC[C@H](C(=O)O)C2)c(O)c1OC	1604799693	PWJJJQKJTWCPCU-GXSJLCMTSA-N	295.335	1.752	10	20	CDCD	
Cc1cc(C)c(O)c(CN2C[C@@H](C(=O)O)O[C@H](C)C2)c1	1607620631	CNNMWFKMAUKAMB-YPMHNXCESA-N	279.336	1.683	10	20	CDCD	
COc1cc(O)c(CN2CC(C)(C(=O)O)C2)cc1OC	1607183420	QRSQCDAWSMHEBQ-UHFFFAOYSA-N	281.308	1.316	10	20	CDCD	
C[C@H](C[S@@](C)=O)N[C@H](C)c1cc(C(=O)O)ccc1O	1604213195	DSXHXYJCNJZVPV-IXGDSRDXSA-N	285.365	1.508	10	20	CDCD	
CC(C)[C@@H](N)CNC(=O)c1ccc(N=NC(N)=O)cc1	1575460632	OFTWWUJZUUIODI-NSHDSACASA-N	277.328	1.562	10	20	CDCD	
C[C@H](NC(=O)N1CCN[C@@H]2C[C@H]21)c1ccc(N(C)C)cc1	1576201751	YLXGMTNAYUEWIR-NILFDRSVSA-N	288.395	1.569	10	20	CDCD	
CC(C)[C@@H](C(=O)O)C(=O)OCC(=O)c1ccc(O)c(O)c1	1588811780	AXPUXIZXWLNNFA-LBPRGKRZSA-N	296.275	1.181	10	20	CDCD	
C[C@H]1CC[C@@](NC(=O)Cc2ccc(N)cc2)(C(=O)O)CC1	1599907548	XAKLHVRPSUUDDF-SXUIPJSXSA-N	290.363	1.961	10	20	CDCD	
COC(=O)CSCC(=O)NCc1ccc(N(C)C)cc1	18955190	KYCZCZQHLVAHKW-UHFFFAOYSA-N	296.392	1.275	10	20	CDCD	
O=C(NCc1cccc(CO)c1)c1cccc(O)c1O	126621021	HONPHGBUYPIENA-UHFFFAOYSA-N	273.288	1.520	10	20	CDCD	
COc1ccc(O)c([C@H](C)N[C@H]2CCCCNC2=O)c1	36977197	PEDRWSPSDWCGJH-GWCFXTLKSA-N	278.352	1.720	10	20	CDCD	
CCOc1cccc(CN2C[C@H](C)N[C@H](C)C2)c1O	70075480	KZHQYOIZQRWTFZ-TXEJJXNPSA-N	264.369	1.973	10	20	CDCD	
COc1ccc(CNC(C)(C)CS(C)(=O)=O)cc1C	391413639	MZPNUPOAJHFQPV-UHFFFAOYSA-N	285.409	1.916	10	20	CDCD	
O=C(c1cccc(O)c1O)N1C[C@@H]2[C@@H](C1)C2(F)F	715436556	LMTCGGZRQOTAAJ-HTQZYQBOSA-N	255.220	1.435	10	20	CDCD	
COc1ccc(O)c(CN[C@H]2CCNC(=O)CC2)c1	396768546	QZKYSTDXIGVKEI-LLVKDONJSA-N	264.325	1.159	10	20	CDCD	
C[C@H](NCc1nnn(C)n1)c1ccc(N(C)C)cc1	398200354	FEROIKOWBRDHLS-JTQLQIEISA-N	260.345	1.127	10	20	CDCD	
Nc1ccc(CC(=O)NCC[C@@H]2CCCC[C@@H]2O)cc1	1342947027	IYLRFEHLQNGHJO-ZFWWWQNUSA-N	276.380	1.869	10	20	CDCD	
COC(=O)[C@@H](C)N1CCCN(c2ccc(OC)cc2)CC1	52466636	SIAXEHZPHPSGBI-CYBMUJFWSA-N	292.379	1.769	10	20	CDCD	
CCOCC(=O)NCc1ccc(N2CCSCC2)cc1	58448800	RRPJNOFNUFSZDT-UHFFFAOYSA-N	294.420	1.893	10	20	CDCD	
C[C@H](NCC1(CO)COC1)c1cc(Cl)ccc1O	186146036	MHQJPVTZKSCTQH-VIFPVBQESA-N	271.744	1.705	10	20	CDCD	
Cc1ccc(C(=O)N2CC[C@H](C)[C@@H]2CO)c(O)c1O	189512339	GBGSOKDBRGJSBP-KWQFWETISA-N	265.309	1.249	10	20	CDCD	
CCN1CCCN(Cc2cc3c(cc2O)OCO3)CC1=O	189203831	WEJWDZCJZHVRDM-UHFFFAOYSA-N	292.335	1.175	10	20	CDCD	
COc1cc(Cl)cc(CN2CC[C@H](C(=O)O)C2)c1O	229118900	DHUODLGCOGZBDG-QMMMGPOBSA-N	285.727	1.961	10	20	CDCD	
CCN(CC)CC(=O)NCc1ccc(N(C)C)cc1	49086467	QAJXWNMKQXIULF-UHFFFAOYSA-N	263.385	1.711	10	20	CDCD	
CCOCCO[C@@H](C)C(=O)NCCc1ccc(N)cc1	236934482	DUVKDIGDMATBSU-LBPRGKRZSA-N	280.368	1.369	10	20	CDCD	
O=C(/C=C\c1cncc(F)c1)NCc1ccc(O)c(O)c1	255718212	ASMZITXJPYCVAA-RQOWECAXSA-N	288.278	1.962	10	20	CDCD	
NC1(C(=O)NCc2ccc(N3CCCC3)cc2)CC1	269262045	WSYJSSKMFLNTHO-UHFFFAOYSA-N	259.353	1.394	10	20	CDCD	
O=C(NCc1ccc(N2CCOCC2)cc1)C(F)F	278408163	GSPCIEMCYZOQNR-UHFFFAOYSA-N	270.279	1.405	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNCCC(C)(C)O)c1O	278468346	GOOWFOXYDDWSNG-UHFFFAOYSA-N	284.312	1.560	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCc1c[nH]cn1	281121413	IDLZDRGMMFLHAP-JTQLQIEISA-N	289.335	1.501	10	20	CDCD	
CC(=O)c1cc(F)cc(CN(C)Cc2nncn2C)c1O	286997347	PVYKQIZCTSPBLT-UHFFFAOYSA-N	292.314	1.494	10	20	CDCD	
Cc1csc(=O)n1CCC(=O)NCc1ccccc1O	299471436	GQKKMMRBTKNTPO-UHFFFAOYSA-N	292.360	1.630	10	20	CDCD	
CC(=O)C(=O)COC(=O)c1cc(O)nc2ccccc12	808487954	WJJMKJDQVPRKDF-UHFFFAOYSA-N	273.244	1.255	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)OCCCCCO	803400986	NGSMRTMDGCQAHR-FNORWQNLSA-N	266.293	1.817	10	20	CDCD	
COCC(C)(C)CNC(=O)NCc1ccccc1O	291956588	UWMMAOUFZKFPDH-UHFFFAOYSA-N	266.341	1.864	10	20	CDCD	
COc1cccc(O)c1/C=C1/SC(=S)NC1=O	812392706	UMUCQDWPERCKAD-WEVVVXLNSA-N	267.331	1.890	10	20	CDCD	
COc1ccc(N2CC[C@@H](CNC(=O)[C@@H](C)CN)C2)cc1	818613593	UMADWTCFPOJPLW-STQMWFEESA-N	291.395	1.233	10	20	CDCD	
Cc1cc(CN2CC[C@](F)(CO)C2)ccc1N(C)C	815111143	HZWWURPQDKQJRO-OAHLLOKOSA-N	266.360	1.967	10	20	CDCD	
O=C(C[C@@H]1CC(=O)N1)NCc1ccc(N2CCCC2)cc1	821843524	SXQHDZDYMHBIQB-CYBMUJFWSA-N	287.363	1.182	10	20	CDCD	
CC(C)N1CC[C@@H](CNC(=O)c2c(F)ccc(O)c2O)C1	825600741	QUQJZQJFBULBIV-JTQLQIEISA-N	296.342	1.697	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCC(C2OCCO2)CC1	732281938	GUMVTMAGIAINNL-UHFFFAOYSA-N	283.349	1.679	10	20	CDCD	
CCCNC(=O)C1CCN(C(=O)c2cc(O)cs2)CC1	732266586	HSUZIPRFAGKYGF-UHFFFAOYSA-N	296.392	1.832	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CCNC(=O)O)cc1	737376911	GBAJSQKUZZAGCY-UHFFFAOYSA-N	265.313	1.027	10	20	CDCD	
C[C@@H]1C[C@@]1(C(=O)O)C(=O)N(C)Cc1ccccc1O	901797824	FZKXNKAIPCNSPC-OTYXRUKQSA-N	263.293	1.461	10	20	CDCD	
CNC[C@H](C)C(=O)NCc1c(O)ccc2c1CCCC2	830597489	LCILPDRKDXUELI-NSHDSACASA-N	276.380	1.743	10	20	CDCD	
CCO[C@H]1C[C@@H](NCc2cc([N+](=O)[O-])ccc2O)C1	839147101	DBOXUEZSQOYDBU-KLPPZKSPSA-N	266.297	1.958	10	20	CDCD	
COCC[C@](C)(O)CN[C@H](C)c1cc(F)ccc1O	185468088	PSTPIJNVSOWHDJ-YGRLFVJLSA-N	271.332	1.969	10	20	CDCD	
CO[C@H](C)CS(=O)(=O)Nc1cc(F)c(O)cc1Cl	901962373	FSTYFUGPAFOSSJ-ZCFIWIBFSA-N	297.735	1.961	10	20	CDCD	
COc1ccc(O)c(CNC(=O)CCCCN(C)C)c1	734018721	GFVWJIVGEACNFD-UHFFFAOYSA-N	280.368	1.749	10	20	CDCD	
COCC[C@@H](C)S(=O)(=O)NCCc1ccc(N)cc1	842823279	RAXKGRUZFSWXPE-LLVKDONJSA-N	286.397	1.156	10	20	CDCD	
COc1cccc(CNC(=O)N[C@@H](C)CCCCN)c1O	841997995	UIOMLNBZHAYACS-NSHDSACASA-N	295.383	1.718	10	20	CDCD	
CCN1C(=O)/C(=C\c2cnc(N(C)C)n2C)SC1=S	840713768	VIYGCYLSQMRBIQ-RMKNXTFCSA-N	296.421	1.707	10	20	CDCD	
CCc1ocnc1C(=O)NCc1cc(OC)ccc1O	740086090	OFFPRLDQDNUGPV-UHFFFAOYSA-N	276.292	1.881	10	20	CDCD	
CC[C@H](C)[C@@H](OC)C(=O)NCc1ccc(O)cc1O	910945476	AMPXBALUFKUCNW-TVQRCGJNSA-N	267.325	1.775	10	20	CDCD	
Cc1nccc(CCC(=O)NCCc2ccc(N)cc2)n1	843342253	LIJASWULOSZCCE-UHFFFAOYSA-N	284.363	1.659	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2CCC(N)CC2)c1O	843047410	NZLVOGNPEHIJQM-UHFFFAOYSA-N	281.312	1.232	10	20	CDCD	
CN[C@H]1CCN(Cc2ccc(N(C)C)c(F)c2)C1	843044737	HBFSTDHLIDZSBL-LBPRGKRZSA-N	251.349	1.685	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC[C@@H](CO)[C@@H]1CCOC1	840940595	ADZUNDWIQIOHFL-CVEARBPZSA-N	292.423	1.796	10	20	CDCD	
Cc1cccc(CN2CCN([C@@H]3CCNC3)CC2)c1O	843125134	XBUMVCYQQUBUIK-OAHLLOKOSA-N	275.396	1.180	10	20	CDCD	
O=C1CNC(=O)N1CCCSc1ncc(Cl)s1	849999452	RWRCNHKTGNBCBQ-UHFFFAOYSA-N	291.785	1.831	10	20	CDCD	
CCN1CCC[C@@H](NCc2cc3c(cc2O)OCO3)C1=O	922639836	PRGSBINBRAFUBQ-LLVKDONJSA-N	292.335	1.221	10	20	CDCD	
C[C@@H](CN)CNC(=O)NCc1ccc(N(C)C)cc1	841651778	AUPWFCQLQDGDQA-NSHDSACASA-N	264.373	1.147	10	20	CDCD	
CO[C@@H](C)CN(C)c1ccc(OCC(=O)O)cc1	846279972	RKPRWERIRLDLBM-JTQLQIEISA-N	253.298	1.621	10	20	CDCD	
CCOc1cccc(CNC[C@H]2CCCNC2)c1O	841032554	GTVHHDHGSUDOFH-LBPRGKRZSA-N	264.369	1.880	10	20	CDCD	
C[C@H](NC(=O)N(C)[C@H](C)CN)c1ccc(N(C)C)cc1	841881631	UAASDFMQIFYYDD-NEPJUHHUSA-N	278.400	1.802	10	20	CDCD	
C[C@@H]1NC(=O)N(CCSc2ncc(Cl)s2)C1=O	850001465	HMSKDFVZPJPMSS-YFKPBYRVSA-N	291.785	1.829	10	20	CDCD	
CCOc1ccc(CN2CC[S@](=O)C[C@H](C)C2)c(O)c1	763650793	ZSUFWAZFAXNCCX-ODXCJYRJSA-N	297.420	1.991	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)CCOC[C@@H]2CCCO2)c1	862759905	MOWFGVYLKUDTTP-AWEZNQCLSA-N	293.363	1.903	10	20	CDCD	
COCC1(C(=O)N(C)c2ccc(N)cc2)CCNCC1	877077797	UTQPSOJBIPJNDW-UHFFFAOYSA-N	277.368	1.248	10	20	CDCD	
CCOCCOC[C@H](O)CN[C@H](C)c1ccccc1O	775130600	MQBKHMUXZRLLCG-CHWSQXEVSA-N	283.368	1.457	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)[C@@H]1CCn2ccnc2C1	778929903	OIMRCSQFZJTUJY-LLVKDONJSA-N	287.319	1.173	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CCCC[C@H]1CO	1116510120	NJZXIDAYFFMDMX-PZBABLGHSA-N	277.320	1.484	10	20	CDCD	
C[C@H](NC[C@]1(O)CCO[C@@H]1C)c1c(O)cccc1F	886603567	QUBRPJGIPBHDBE-IMSIIYSGSA-N	269.316	1.722	10	20	CDCD	
CCNC(=O)N1CC[C@@H](N[C@H](C)c2c(O)cccc2F)C1	886551808	OYCNFBQMYGHZNO-GHMZBOCLSA-N	295.358	1.986	10	20	CDCD	
O=[N+]([O-])c1cc(Cl)cc(CN2C[C@H]3C[C@]3(CO)C2)c1O	783734306	LHKIIAAMRMEAAH-NOZJJQNGSA-N	298.726	1.768	10	20	CDCD	
CCOC(=O)c1cc(NC(=O)c2cccc(O)c2O)n[nH]1	790919153	IXHXSROZSYSSBX-UHFFFAOYSA-N	291.263	1.250	10	20	CDCD	
CCN(CC)c1ccc(CNS(=O)(=O)N2CCC2)cc1	795806270	RLFGEWJVXAFSIV-UHFFFAOYSA-N	297.424	1.573	10	20	CDCD	
COc1ccc(CNC(=O)C2(C)COC2)c(O)c1	794380386	YTICCWLSCWAUNA-UHFFFAOYSA-N	251.282	1.054	10	20	CDCD	
COc1ccc(CNCCC(=O)NC(C)C)c(O)c1OC	892538509	RLQSIHPVCOMIPA-UHFFFAOYSA-N	296.367	1.414	10	20	CDCD	
COCc1nccc(NCc2cccc(OC)c2O)n1	892288390	OKUCQDDLFNAODP-UHFFFAOYSA-N	275.308	1.949	10	20	CDCD	
COC[C@@H](C)CNC(=O)NCc1ccc(OC)cc1O	792903715	KVXRHEKIGPCQPU-JTQLQIEISA-N	282.340	1.483	10	20	CDCD	
CN(Cc1c(O)ccc(Cl)c1F)[C@H]1CCNC1=O	792173206	UWQGCMBPAHJLJN-VIFPVBQESA-N	272.707	1.505	10	20	CDCD	
COc1ccc(CNCc2ccc(CO)o2)c(O)c1	793386552	WKPACXTUHMGNMM-UHFFFAOYSA-N	263.293	1.776	10	20	CDCD	
CCS(=O)(=O)CCN(C)Cc1cc(C)ccc1O	93643518	GZMYOHDNJZJMFA-UHFFFAOYSA-N	271.382	1.567	10	20	CDCD	
Nc1ccc(CCNC(=O)NC2CC3(CC(N)C3)C2)cc1	1346480067	ZYIHBTYKJVWJJV-UHFFFAOYSA-N	288.395	1.380	10	20	CDCD	
CC(C)[C@@H]1CNCCN1C(=O)NCc1ccc(N)cc1	1353532397	ZLLYKBRURCAYDK-AWEZNQCLSA-N	276.384	1.408	10	20	CDCD	
Cn1cc(/C=C\C(=O)N2C[C@@H](CCN)c3ccccc32)cn1	1354511508	GKAZDCXDEFSTFU-LMVHVUTASA-N	296.374	1.913	10	20	CDCD	
O=C(C[C@@H]1CCCCO1)NCc1cccc(O)c1O	1528771654	SOMDZMWURVZXOM-NSHDSACASA-N	265.309	1.673	10	20	CDCD	
Cc1cccc(O)c1CN1CCC([C@H](O)C(=O)O)CC1	1600543444	WXLZJLHAHDUAAX-AWEZNQCLSA-N	279.336	1.358	10	20	CDCD	
O=C(NCc1c(O)cccc1F)c1ccc(C(=O)O)nc1	1594768175	ZWERUHJYFPCYJK-UHFFFAOYSA-N	290.250	1.555	10	20	CDCD	
COc1cccc(CNS(=O)(=O)CC(C)C)c1O	161097410	QAJJZNSGDBAADA-UHFFFAOYSA-N	273.354	1.476	10	20	CDCD	
CC(=O)NCC1CCN(Cc2cc(F)ccc2O)CC1	226563307	IKHFEMGMIGWDCC-UHFFFAOYSA-N	280.343	1.879	10	20	CDCD	
COc1ccc(O)c([C@H](C)NCc2cncn2C)c1	271760605	ASLANIZSYWSNFL-JTQLQIEISA-N	261.325	1.985	10	20	CDCD	
Nc1ccc(CCNS(=O)(=O)N2CCCCCC2)cc1	40675711	FOAZUYJGPKDIHG-UHFFFAOYSA-N	297.424	1.522	10	20	CDCD	
CN(C(=O)C[C@H]1CCS(=O)(=O)C1)c1ccc(N)cc1	702126333	NRJTUFAWIWLDOE-SNVBAGLBSA-N	282.365	1.056	10	20	CDCD	
COC[C@@](C)(O)CN[C@@H](C)c1cc(OC)ccc1O	382544462	CJACSTMKOQSRBE-HZMBPMFUSA-N	269.341	1.449	10	20	CDCD	
COC1(C(=O)N[C@H](C)c2ccccc2O)CCOCC1	827946329	DPMKWXPZYSAXDM-LLVKDONJSA-N	279.336	1.765	10	20	CDCD	
COc1ccc(O)c(CNC(=O)NC[C@@H]2CCCOC2)c1	172071226	OGDBOTXKLGRBSB-NSHDSACASA-N	294.351	1.627	10	20	CDCD	
CCc1ncc(NC(=O)c2cccc(O)c2O)cn1	187200531	AMOMGDQKYLKZNR-UHFFFAOYSA-N	259.265	1.703	10	20	CDCD	
COc1cccc(CNC(=O)NCC(C)(C)OC)c1O	74791403	GJQYWOMDSFOHTE-UHFFFAOYSA-N	282.340	1.625	10	20	CDCD	
CC(=O)N1CCC[C@H](C(=O)NCc2ccccc2O)C1	299458907	BKPBTZOMSLTYRP-ZDUSSCGKSA-N	276.336	1.267	10	20	CDCD	
CO[C@@H]1CCCC[C@H]1NC(=O)Cc1ccc(N)cc1	269228477	NRUYHJVDWGBFQG-ZIAGYGMSSA-N	262.353	1.885	10	20	CDCD	
Nc1ccc(CCNC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2N)cc1	262569833	BSJARUYRWAEBGK-DDHJSBNISA-N	273.380	1.301	10	20	CDCD	
O=C(CC[C@@H]1CCOC1)NCc1ccc(O)c(O)c1	272344253	PGNGRJUIAWETIM-SNVBAGLBSA-N	265.309	1.531	10	20	CDCD	
COC(=O)[C@@H](C)N(C)Cc1ccc([N+](=O)[O-])c(OC)c1O	280857639	MZWPZNAZHFFGHY-MRVPVSSYSA-N	298.295	1.302	10	20	CDCD	
C[C@@H](N[C@H](C)c1ccc(N(C)C)cc1)C(=O)NCCF	282864733	UVUZCYJAURFEEM-VXGBXAGGSA-N	281.375	1.877	10	20	CDCD	
CNC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1	284851533	HPDCWRLYYVMIPV-UHFFFAOYSA-N	289.379	1.381	10	20	CDCD	
COc1cccc(CNC(=O)[C@H](F)C(F)(F)F)c1O	290122037	NGQFAKDXKRKORP-VIFPVBQESA-N	281.205	1.917	10	20	CDCD	
CC(C)(CO)CCNC(=O)c1c(F)ccc(O)c1O	295469624	QAWJKGNBVRKEIC-UHFFFAOYSA-N	271.288	1.375	10	20	CDCD	
CCn1ccnc1CNC(=O)c1ccc(C)c(O)c1O	297348786	YCOOONBQSBJUHT-UHFFFAOYSA-N	275.308	1.553	10	20	CDCD	
COc1cccc(CNC(=O)c2cccc(O)n2)c1O	801614060	KBGRIBNKYLSYMX-UHFFFAOYSA-N	274.276	1.431	10	20	CDCD	
CC[C@@H](NCCNCCOC)c1ccccc1O	817964791	IYYCRTZDRMPIPG-CYBMUJFWSA-N	252.358	1.669	10	20	CDCD	
C[C@H](CC(=O)O)C(=O)NCCCSc1nccs1	827293590	YRWVIMGHIHFBER-MRVPVSSYSA-N	288.394	1.852	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2C[C@@H](O)C2)c1	821065097	KWOXABSEQFYKOJ-BBBLOLIVSA-N	265.309	1.349	10	20	CDCD	
CCn1ccc(NC(=O)NCc2cccc(OC)c2O)n1	824919874	ABZMXMSHAQNAGJ-UHFFFAOYSA-N	290.323	1.939	10	20	CDCD	
COC[C@@H]1COCCN1Cc1cc(C)cc(C)c1O	902564599	UMHDFFINPMUPBC-CQSZACIVSA-N	265.353	1.856	10	20	CDCD	
CC(C)n1c(S)nnc1CNC(=O)c1cc(O)cs1	732290462	QLIMEIPGTZSXJZ-UHFFFAOYSA-N	298.393	1.845	10	20	CDCD	
CCN(C)S(=O)(=O)Nc1ccc(O)cc1OC	901703212	DTTJRCRAVIDHLO-UHFFFAOYSA-N	260.315	1.009	10	20	CDCD	
C/C(=C/CN1CCOc2cc(N(C)C)ccc21)C(=O)O	833383831	QMCDPXRVWQBSJZ-WDZFZDKYSA-N	276.336	1.982	10	20	CDCD	
NC(=O)[C@@H](OC(=O)c1cc(O)cs1)c1ccccc1	731909633	GXJDDOQCFZWOCV-NSHDSACASA-N	277.301	1.837	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)NCCCC(=O)O)c1	738041940	PQJCIHQHJXFJQS-VIFPVBQESA-N	296.323	1.626	10	20	CDCD	
C[C@H]1C[C@@H](NC(=O)c2c(F)ccc(O)c2O)CS1	839829816	KIZCZQOTBXSXCF-NKWVEPMBSA-N	271.313	1.861	10	20	CDCD	
C[C@@H]1[C@@H](CO)CCCN1C(=O)/C=C/c1ccc(O)c(O)c1	840557727	GSFAWWMCTOWRKN-BVKQBWKVSA-N	291.347	1.730	10	20	CDCD	
Nc1ccc(CCNC(=O)N[C@H]2CCC[C@H]2CCO)cc1	841883756	ZVWGCIHJNIQPKI-ZFWWWQNUSA-N	291.395	1.662	10	20	CDCD	
CCOc1cccc(CN2C[C@H](O)C[C@@H]2COC)c1O	846052557	GDDDUFWIYBGSNE-CHWSQXEVSA-N	281.352	1.373	10	20	CDCD	
CCCNC(=O)CCc1nc(Cc2ccc(N)cc2)no1	843159501	ROEVDCQQZQIQMO-UHFFFAOYSA-N	288.351	1.701	10	20	CDCD	
COc1cccc([C@H](C)NC[C@H](O)COCC2CC2)c1O	846142382	SHGXLWSKEQJZDX-AAEUAGOBSA-N	295.379	1.839	10	20	CDCD	
CC1=NO[C@H](C(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)C1	911668202	WDLYIYFAIOIHOF-KGLIPLIRSA-N	290.367	1.033	10	20	CDCD	
COc1ccc(O)c(CNC(=O)N[C@@H](C)[C@@H]2CCOC2)c1	745821265	XJTPLPZZIPKFKF-WDEREUQCSA-N	294.351	1.625	10	20	CDCD	
CC(C)[C@@H]1C[C@H]1NC(=O)C(=O)Nc1ccc(N)cc1	841141860	PUCCAELCTPTUHJ-NWDGAFQWSA-N	261.325	1.368	10	20	CDCD	
CC[C@@H](N)CNC(=O)NCc1ccc(N2CC=CC2)cc1	841832904	XDIVKMVOEPNXQF-CQSZACIVSA-N	288.395	1.599	10	20	CDCD	
C[C@@H](NS(=O)(=O)C[C@H]1CCCO1)c1ccccc1O	867834513	OZWYCDUNRSXVIZ-GHMZBOCLSA-N	285.365	1.552	10	20	CDCD	
COc1cc(C)cc(CN(C)[C@H]2CCNC2=O)c1O	758410511	WBGKVEXWFQCIFG-NSHDSACASA-N	264.325	1.030	10	20	CDCD	
CC(=O)c1cc(Cl)cc(CN2C[C@H]3CNC[C@@H]3C2)c1O	750040185	UHCJVRNVLMZAID-VXGBXAGGSA-N	294.782	1.899	10	20	CDCD	
C[C@H](N[C@@H]1CC[C@H](C(N)=O)C1)c1cc(F)ccc1O	834905868	AASQQNDJEORLPV-ATZCPNFKSA-N	266.316	1.836	10	20	CDCD	
CCOc1ccc(CNCCc2ccn(C)n2)c(O)c1	760650635	UDOPDQSNCVXGDH-UHFFFAOYSA-N	275.352	1.857	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(C)(C)C(N)=O	767923029	FRWFGPORLNYBKH-UHFFFAOYSA-N	277.368	1.189	10	20	CDCD	
CO[C@H]1C[C@H](NC(=O)/C=C\c2ccc(O)c(O)c2)C1	863671087	WFSNOBWYDDFBFD-NVQIXMIUSA-N	263.293	1.405	10	20	CDCD	
Oc1cc2c(cc1CN1CC[C@@]3(CCOC3)C1)[C@H](O)CO2	768463075	FWSXLVYIZYCDGO-GDBMZVCRSA-N	291.347	1.430	10	20	CDCD	
CCOC(=O)[C@@](C)(O)CN[C@H](C)c1ccccc1O	879649294	MTSWDGCIUQFCIH-YGRLFVJLSA-N	267.325	1.357	10	20	CDCD	
CNC[C@@H](C)CNCc1cc(Cl)cc(OC)c1O	1118019123	NUUADOZXEGZMLG-SECBINFHSA-N	272.776	1.999	10	20	CDCD	
COCC1=CCN(C(=O)c2cc(O)cs2)CC1	776268605	DUOZBVNCRNMHIU-UHFFFAOYSA-N	253.323	1.872	10	20	CDCD	
C[C@@H](Cc1cnn(C)c1)NCc1cc([N+](=O)[O-])ccc1O	772951784	YSXVUQVOECKGBL-JTQLQIEISA-N	290.323	1.755	10	20	CDCD	
Cc1ccc(CN2CCn3cnnc3[C@H]2C)c(O)c1	877474232	XQKUNQQEPDCZTQ-LLVKDONJSA-N	258.325	1.869	10	20	CDCD	
Cc1cccc(O)c1CNCCN1CCOCC1(C)C	877147887	CQECDHNTMQLDMK-UHFFFAOYSA-N	278.396	1.901	10	20	CDCD	
Cc1cccc(O)c1CN[C@H](C)CC[S@](C)=O	877088227	DHOGUKDYUIPSMZ-DIFFPNOSSA-N	255.383	1.947	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)c1cnn2c(=O)cc[nH]c12	774045276	UDMHOWFFLBHULM-UHFFFAOYSA-N	298.302	1.000	10	20	CDCD	
CCC(=O)N1CC[C@H](NCc2ccc(C)cc2O)C1	877090125	RTVBGAVWCAHZHP-ZDUSSCGKSA-N	262.353	1.801	10	20	CDCD	
CC[C@H](F)C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1	1121809522	FURSUDSGXUBSHV-QWHCGFSZSA-N	267.348	1.617	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cocn1	773767851	RDOOQCWGDIWHIZ-MRVPVSSYSA-N	262.265	1.447	10	20	CDCD	
Cc1cc(C(=O)N2CC[C@@H]2CO)c(C)n1-c1ccccn1	889132469	JNMIACQNXNNROK-CYBMUJFWSA-N	285.347	1.696	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C[C@](C)(O)C(F)F	886093548	BYWCUNKSNGIEGN-AWEZNQCLSA-N	286.322	1.968	10	20	CDCD	
Cc1ccc(C(=O)N2CCC[C@H]([C@H](C)O)C2)c(O)c1O	780985818	HIOYKKMQTRZQIK-QWRGUYRKSA-N	279.336	1.639	10	20	CDCD	
OCCn1ccc(NCc2cc(F)cc(F)c2O)n1	883046497	LYWDESKOUCCQFF-UHFFFAOYSA-N	269.251	1.471	10	20	CDCD	
COc1ccc(CNC[C@@H](C)C[C@H](C)O)c(O)c1OC	893043103	SUMQZDOCRVPOJP-QWRGUYRKSA-N	283.368	1.906	10	20	CDCD	
CCn1cc(/C=C2/SC(N3CCCCC3)=NC2=O)nn1	899341962	NRSPEZDYIBDFJF-DHZHZOJOSA-N	291.380	1.754	10	20	CDCD	
Cc1ccc([C@H](C)N[C@@H](C)C(=O)N(C)C)c(O)c1	36793763	DWEHATMDEKGMDI-QWRGUYRKSA-N	250.342	1.828	10	20	CDCD	
O=C(COC(=O)c1cc(O)cs1)c1cnccn1	791885364	KKLXUOBXWZHRES-UHFFFAOYSA-N	264.262	1.283	10	20	CDCD	
COc1ccc(CNC(=O)NCc2cccnn2)c(O)c1	793083348	CKGMTYJHJUYZKZ-UHFFFAOYSA-N	288.307	1.190	10	20	CDCD	
CNC(=O)CCN[C@@H](C)c1cc(OC)ccc1O	44988133	AYQSROSFANPBOX-VIFPVBQESA-N	252.314	1.188	10	20	CDCD	
CCO[C@H]1C[C@@H](NC(=O)NCc2ccc(N)cc2)C1	1336876749	JJZUIXYBOVCFIC-BETUJISGSA-N	263.341	1.636	10	20	CDCD	
Nc1ccc(CC(=O)NC[C@@H](CC(=O)O)C2CC2)cc1	690498670	DIODCNDOIHGFIO-GFCCVEGCSA-N	276.336	1.428	10	20	CDCD	
CN(C(=O)NCc1ccc(N)cc1)C1CCC(CO)CC1	1337070578	SNCQJPHCSVTYDA-UHFFFAOYSA-N	291.395	1.961	10	20	CDCD	
C[C@@H]1CN(Cc2cc3c(cc2O)OCO3)CCCO1	96810809	HYWFUKMJXCKDAP-SNVBAGLBSA-N	265.309	1.732	10	20	CDCD	
COCCC(=O)N1CCC(NCc2ccc(N)cc2)CC1	1337838802	UZSVXFRABMISFO-UHFFFAOYSA-N	291.395	1.386	10	20	CDCD	
C[C@H]1COC[C@H]1NC(=O)NCCc1ccc(N)cc1	1262585242	XEOWCHGWUAZOKX-GXFFZTMASA-N	263.341	1.145	10	20	CDCD	
Cc1nn(C)cc1CCC(=O)Nc1ccc(N)cc1	160387928	AOKGRHVBZAXSAU-UHFFFAOYSA-N	258.325	1.882	10	20	CDCD	
CN(C)Cc1cc(C(=O)NCc2cccc(O)c2O)no1	1528771172	LULUZKNDHGKTDD-UHFFFAOYSA-N	291.307	1.077	10	20	CDCD	
O=C(O)[C@@H]1C[C@@H](O)CN1Cc1cc(Cl)cc(F)c1O	1601771083	CZFKAJSPTGWCRZ-SCZZXKLOSA-N	289.690	1.205	10	20	CDCD	
COc1cccc(CNCc2cc(C(=O)O)co2)c1O	1607322945	RMVPDVCPCUUVFD-UHFFFAOYSA-N	277.276	1.982	10	20	CDCD	
NC1(C(=O)NCc2cc(O)ccc2O)CCCCC1	1580137180	IEBCLDILACCMCP-UHFFFAOYSA-N	264.325	1.376	10	20	CDCD	
C[C@H](NCCCF)c1cccc(-c2nn[nH]n2)c1O	1589960877	JOHBRNYXJBLUSE-QMMMGPOBSA-N	265.292	1.583	10	20	CDCD	
C[C@H](NC[C@@H]1CCCN1C)c1cc(C(=O)O)ccc1O	1593286441	SVHNHXBYNFAEAL-JQWIXIFHSA-N	278.352	1.835	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)Nc1ncc(C(=O)O)cn1	1592881855	ACYWTJDDMLKFOO-QMMMGPOBSA-N	289.291	1.629	10	20	CDCD	
C[C@H](N[C@H]1C[C@@H](O)C1)c1cc(C(=O)O)ccc1O	1593360529	SURDIQCBWLYLGC-UJNFCWOMSA-N	251.282	1.264	10	20	CDCD	
CC[C@H](C)NC(=O)[C@@H](C)NC(=O)Cc1ccc(N)cc1	153667311	HGRKHTGASXWKIN-WDEREUQCSA-N	277.368	1.231	10	20	CDCD	
COc1ccc(O)c(CNC[C@@H](C)N(C)C2CC2)c1	224805516	MBEFIDGKQHWUDE-LLVKDONJSA-N	264.369	1.973	10	20	CDCD	
C[C@@H](CN1CCOCC1)NCc1cccc(Cl)c1O	124708116	QATQUFUVBKCBFP-NSHDSACASA-N	284.787	1.856	10	20	CDCD	
C[C@@H]1CCCN(C(=O)c2cccc(O)c2O)[C@H]1C(=O)O	235407615	FCBFGYZZCZTYQX-LDYMZIIASA-N	279.292	1.423	10	20	CDCD	
Cc1cccc(CN(C)[C@H](C)C[S@](C)=O)c1O	131189641	USEVQYNFGDPVQX-PIGZYNQJSA-N	255.383	1.899	10	20	CDCD	
CCOC[C@H](NC(=O)c1cccc(O)c1O)C(C)C	276902265	PSKYSVPQWHDPFR-NSHDSACASA-N	267.325	1.889	10	20	CDCD	
CO[C@@](C)(CNC(=O)c1cccc(O)c1O)C1CC1	311691417	KLBMFLIJRLSELY-AWEZNQCLSA-N	265.309	1.643	10	20	CDCD	
O=C1C[C@H](CNCc2c(O)cccc2Br)CN1	706881360	RCQHHXWACNHZNM-MRVPVSSYSA-N	299.168	1.380	10	20	CDCD	
COc1cc(N2C[C@H](C)[C@@H](O)C2)c([N+](=O)[O-])cc1OC	387894042	QFXVCYHMWQDXHV-KWQFWETISA-N	282.296	1.429	10	20	CDCD	
COc1ccc(N2CCCN(CCCO)CC2)cc1	52466465	FEMUFONOELDNLY-UHFFFAOYSA-N	264.369	1.590	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CCCO1	173184913	HLLZUCOYLGJRIS-CYBMUJFWSA-N	276.336	1.657	10	20	CDCD	
C[C@]1(CNC(=O)c2cccc(O)c2O)CCCO1	126482191	GMLCWHXLXCZZEU-CYBMUJFWSA-N	251.282	1.397	10	20	CDCD	
COC(=O)C[C@H](C)C(=O)N(C)Cc1ccc(N(C)C)cc1	121566854	VQVWPYMKGFPJRG-LBPRGKRZSA-N	292.379	1.910	10	20	CDCD	
Cc1cccc(CN2CCS(=O)(=O)C[C@@H]2C)c1O	180313093	VPVJISVEJFIUIY-NSHDSACASA-N	269.366	1.320	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCCO1	183463380	FWTUDXPQQPFREZ-RNCFNFMXSA-N	265.309	1.324	10	20	CDCD	
CN(C)c1ccc(CN2CC[C@H](CO)C2)cc1F	127219931	HQSKXIHJWGNCDY-LBPRGKRZSA-N	252.333	1.706	10	20	CDCD	
CO[C@@H](C)CC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	183478327	OXKDPHUGWASERC-UWVGGRQHSA-N	267.325	1.570	10	20	CDCD	
COc1ccc(N(C)CC(=O)NCC2CC2)cc1OC	49077523	WLWPXGCUJDIHDC-UHFFFAOYSA-N	278.352	1.666	10	20	CDCD	
O=C(NCc1ccc(N2CCCC2)cc1)c1cnn[nH]1	48892071	LJZPZLXJDDSVAC-UHFFFAOYSA-N	271.324	1.335	10	20	CDCD	
CCC[C@H](O)CNC(=O)NCc1ccc(N(C)C)cc1	264888502	WNRBCUUHWSRZFM-AWEZNQCLSA-N	279.384	1.713	10	20	CDCD	
CCN(CC)c1ccc(CN2C(=O)CNC2=O)cc1F	272539460	XJZXWNUEENWAHE-UHFFFAOYSA-N	279.315	1.724	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCC[C@@H](N2CCCC2)C1	372314585	FCXYWZOBRQRSLT-GFCCVEGCSA-N	290.363	1.798	10	20	CDCD	
C[C@@]1(O)CCCN(C(=O)c2c(F)ccc(O)c2O)C1	296923733	AUNZLUWTSDYUPE-CYBMUJFWSA-N	269.272	1.224	10	20	CDCD	
CCOc1ccccc1OCC(=O)OCC(=O)C(C)=O	808486367	AGAITRZXQSMQOC-UHFFFAOYSA-N	280.276	1.165	10	20	CDCD	
CCCN(CC)C[C@@H](C)NC(=O)c1cccc(O)c1O	291633336	UYOIHYFYBOFDPM-LLVKDONJSA-N	280.368	1.948	10	20	CDCD	
CC[C@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)OC	291937904	CNYJSECBQRSCPF-OKPNEXGHSA-N	265.309	1.652	10	20	CDCD	
CCNCCN[C@H](C)c1cc(C(=O)OC)ccc1O	817953295	ZGAXBJJWNUGHCI-SNVBAGLBSA-N	266.341	1.439	10	20	CDCD	
CCOC(=O)[C@H]1NCC[C@H]1NCc1ccc(N(C)C)cc1	817896703	QBZDZQXVJHIJGW-CABCVRRESA-N	291.395	1.136	10	20	CDCD	
OC[C@@]12C[C@H]1CN(Cc1cc(Cl)c(F)cc1O)C2	816586871	WJAOLZOMDFXIHA-ZANVPECISA-N	271.719	1.999	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)CN1CCCC1	820418035	MIUGZIPPWYWONR-UHFFFAOYSA-N	289.379	1.574	10	20	CDCD	
O=C(O)[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1	821508629	CCFDIZNLVIYQLE-YWNRKNDBSA-N	277.276	1.044	10	20	CDCD	
CCN(CC(N)=O)Cc1cc(Cl)c(C)cc1O	825671780	PFXFTNBOENPYKX-UHFFFAOYSA-N	256.733	1.661	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)C(C)(C)NC(=O)O)c1	739925196	IGYYWYVLEVLZCW-QMMMGPOBSA-N	296.323	1.624	10	20	CDCD	
C[C@H](CN)C(=O)NCc1ccc(N2CCSCC2)cc1	827320524	KUPXOKPDZAWITM-GFCCVEGCSA-N	293.436	1.451	10	20	CDCD	
CCN(C)c1ccc(CN2CCOC[C@H]2CC(N)=O)cc1	832750976	JHTUVPKHJPHHPQ-OAHLLOKOSA-N	291.395	1.219	10	20	CDCD	
COc1ccc(O)c(CN2CC[C@@H](OC)C[C@@H]2C(=O)O)c1	833733380	GFJKKLNJEMRPRN-CHWSQXEVSA-N	295.335	1.465	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1COC[C@H]1C	919081289	JWTLWEKPQUNKRQ-DOMZBBRYSA-N	291.395	1.895	10	20	CDCD	
O=C(O)CN(Cc1ccccc1O)C(=O)[C@@H]1CCCS1	911489075	OQPWWOULYZWZJB-LBPRGKRZSA-N	295.360	1.701	10	20	CDCD	
COc1cccc(CNC(=O)C(C)(C)CCC(=O)O)c1O	911337435	RGWIPSDPLUWZNS-UHFFFAOYSA-N	295.335	1.908	10	20	CDCD	
O=C(O)CN(Cc1ccccc1O)C(=O)CC1(O)CCC1	911485303	WLEHUUGUPTVHJP-UHFFFAOYSA-N	293.319	1.111	10	20	CDCD	
COC[C@H]1C[C@@H](O)CN1Cc1cc(F)cc(C(C)=O)c1O	844400772	BYUOPKPIIUYTLJ-CHWSQXEVSA-N	297.326	1.316	10	20	CDCD	
C[S@](=O)CCNC(=O)NCc1cc(Cl)ccc1O	845009407	REZHSECLRSISHL-SFHVURJKSA-N	290.772	1.223	10	20	CDCD	
COCc1nc(C(=O)NCc2cc(Cl)ccc2O)no1	844778592	XWKPBZADFYUNGD-UHFFFAOYSA-N	297.698	1.505	10	20	CDCD	
Cc1cnn(CCc2nc(Cc3ccc(N)cc3)no2)c1	843159318	OYGYVTYLXGJXAF-UHFFFAOYSA-N	283.335	1.990	10	20	CDCD	
N[C@H](CNCc1cc(Cl)cc([N+](=O)[O-])c1O)C1CC1	841050093	OPKADSGNICDROT-SNVBAGLBSA-N	285.731	1.781	10	20	CDCD	
CC[C@H](N)C(=O)N(C)CCN(C)c1ccc(OC)cc1	846697367	OTRNCUAPVRENHP-AWEZNQCLSA-N	279.384	1.327	10	20	CDCD	
COc1ccc(O)c(CN2CC[C@@](C)(CN)C2)c1	386444486	QKSUJMXRWXIXSW-AWEZNQCLSA-N	250.342	1.572	10	20	CDCD	
CCN(CC1CCC1)C(=O)C(=O)Nc1ccc(N)cc1	841120474	LJICRUPOADOASP-UHFFFAOYSA-N	275.352	1.856	10	20	CDCD	
COC(=O)[C@@H]1C[C@@H](O)CN(Cc2c(O)cccc2Cl)C1	843434888	OAMACYLRVUEDQS-NXEZZACHSA-N	299.754	1.401	10	20	CDCD	
COc1cccc([C@H](C)N[C@@H]2CC[C@H](C(N)=O)C2)c1O	846168804	LWDOOPQBNILJMP-GARJFASQSA-N	278.352	1.705	10	20	CDCD	
C[C@@H]1CCSCCN1C(=O)C(=O)Nc1ccc(N)cc1	841117650	ZXEGXDGTNKUBKT-SNVBAGLBSA-N	293.392	1.561	10	20	CDCD	
C=CC(=O)N(C)CC(=O)NCCCSc1nccs1	859352279	PQMPPSUBVXHMFH-UHFFFAOYSA-N	299.421	1.386	10	20	CDCD	
C[C@]1(CNCc2ccc3c(c2)CCCO3)CCC(=O)N1	922170630	SVXODXVQEVJZJW-MRXNPFEDSA-N	274.364	1.770	10	20	CDCD	
CN(C)c1cc(F)c(CN[C@@H]2CCOC2)cc1F	858152820	ALQTYJLSAGVAED-SNVBAGLBSA-N	256.296	1.909	10	20	CDCD	
COc1cc(O)c(CNCC2(C(=O)O)CCC2)cc1OC	854244584	LUHCITKBXTUZPC-UHFFFAOYSA-N	295.335	1.754	10	20	CDCD	
CCc1cccc(CNC[C@@H](C)S(C)(=O)=O)c1O	697642421	NMRWLLRYTASUGZ-SNVBAGLBSA-N	271.382	1.477	10	20	CDCD	
Cc1nnc(CN(C)C(=O)c2ccc(C)c(O)c2O)s1	856366241	OAPSWIJKEXEIPA-UHFFFAOYSA-N	293.348	1.838	10	20	CDCD	
CCN1C(=O)/C(=C\c2cnn(C)n2)SC1=S	864086981	NHDIQHGSCWXGGD-QPJJXVBHSA-N	254.340	1.036	10	20	CDCD	
CNS(=O)(=O)CCCN[C@@H](C)c1cc(F)ccc1O	866457318	MECFJIAOLYRQME-VIFPVBQESA-N	290.360	1.121	10	20	CDCD	
COCCOCCCNCc1c(C)cccc1O	876903190	SHIDQOZIKQUFDY-UHFFFAOYSA-N	253.342	1.843	10	20	CDCD	
C[C@@H]1[C@H](C(=O)N(C)Cc2ccccc2O)CCN1C	764608746	IOZDUOYOFRJKPE-DGCLKSJQSA-N	262.353	1.691	10	20	CDCD	
COC1CC(C(=O)NCc2ccc(O)c(O)c2)C1	860243752	WQVBHIFMKHUUHI-UHFFFAOYSA-N	251.282	1.139	10	20	CDCD	
CC1CC(CNC(=O)C(=O)N(C)Cc2ccccc2O)C1	1118821180	ZJNJFQIYRJVDJP-UHFFFAOYSA-N	290.363	1.513	10	20	CDCD	
CCN[C@@H](C)C(=O)NCc1c(O)ccc2c1CCCC2	876884348	GNJPRBCTHUWPQS-NSHDSACASA-N	276.380	1.885	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)NCc1ccccc1CO	779526819	FFLMYEBLMQXKJR-VURMDHGXSA-N	299.326	1.920	10	20	CDCD	
C[C@@H](NCC(=O)N=S(C)(C)=O)c1ccccc1O	879650340	VQISKVYIGCCSJP-SECBINFHSA-N	270.354	1.297	10	20	CDCD	
Cc1ccc(C(=O)O[C@@H]2CCCN(C)C2=O)c(O)c1O	778792103	HKMHGGVGHNQTBQ-SNVBAGLBSA-N	279.292	1.184	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@]2(C)CCO[C@H]2C)c1O	775060696	MFDHIDVLFSOGRQ-LKFCYVNXSA-N	296.323	1.966	10	20	CDCD	
O=C(N[C@@H](CO)C[C@@H]1CCCO1)c1cc(O)cs1	899293880	BZAWTAMSSMXRST-SCZZXKLOSA-N	271.338	1.114	10	20	CDCD	
Cn1c(Sc2nccs2)nnc1[C@@H]1CCCNC1	892583692	YBNXPPAFJPGFEA-MRVPVSSYSA-N	281.410	1.890	10	20	CDCD	
COc1ccc(O)c(CN[C@@H](C(=O)O)C(C)C)c1	43430320	GBFGSPFNZRSTRT-GFCCVEGCSA-N	253.298	1.600	10	20	CDCD	
COCCN(CCOC)Cc1ccc(OC)c(OC)c1O	891451551	XDBJZVVBRYLFLA-UHFFFAOYSA-N	299.367	1.504	10	20	CDCD	
COc1ccc(CNC(=O)[C@H]2CCCOC2)c(O)c1	794381108	KYLDOLWGIJJYSJ-NSHDSACASA-N	265.309	1.444	10	20	CDCD	
C[C@@H](NC(=O)[C@@H](N)CC(F)F)c1ccccc1O	870988729	XZHLJDIEGHTXTM-APPZFPTMSA-N	258.268	1.552	10	20	CDCD	
CSCC[C@@H](O)C(=O)N(C)Cc1ccc(N(C)C)cc1	276588917	KFCYNBWOWOFVBU-CQSZACIVSA-N	296.436	1.825	10	20	CDCD	
CO[C@H]1CCC[C@H]1C(=O)NCCc1ccc(O)c(O)c1	1335854025	CQBMQQAZWILPOG-RISCZKNCSA-N	279.336	1.572	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H]1CN2CCC1CC2	1339142815	VAHFESCKZAXVLF-QDOCKXBDSA-N	288.347	1.321	10	20	CDCD	
Cc1ccc(CN[C@H]2CS(=O)(=O)C[C@H]2C)c(O)c1	895795066	SELUOFYGHINOPK-PWSUYJOCSA-N	269.366	1.223	10	20	CDCD	
Cc1ccc(O)c(CNS(=O)(=O)N2CCCC2)c1	1261796979	RPDXBUOLIJGSMY-UHFFFAOYSA-N	270.354	1.131	10	20	CDCD	
Nc1ccc(CNC(=O)NCCCn2cccn2)cc1	1262560835	DIRSERUGHFINAS-UHFFFAOYSA-N	273.340	1.355	10	20	CDCD	
Cc1ccc(O)c(CNc2c([N+](=O)[O-])ncn2C)c1	1348122376	HNTLOEBLEMWVLH-UHFFFAOYSA-N	262.269	1.954	10	20	CDCD	
Nc1ccc(CN[C@H](CO)[C@H]2CCCOC2)cc1	1356083332	NLRFTEKLSCQBAO-GXTWGEPZSA-N	250.342	1.146	10	20	CDCD	
C[C@@H]1C[C@H](CN(C)c2ccc(OCC(=O)O)cc2)CCN1	1609842784	RAMCYFLPTQHMKY-CHWSQXEVSA-N	292.379	1.974	10	20	CDCD	
C[C@@H]1CCN(Cc2cc3c(cc2O)OCO3)[C@H](C(=O)O)C1	1604754216	TYDKSQMXMZMYRZ-KOLCDFICSA-N	293.319	1.806	10	20	CDCD	
Cc1cc(O)c(CNC[C@@]2(C)CNCCO2)c(Cl)c1	1579638283	UQYSVAZMGOPOKJ-CQSZACIVSA-N	284.787	1.822	10	20	CDCD	
Cc1cc(O)c(CNC[C@@H]2[C@H]3CNC[C@H]32)cc1Cl	1579638330	XDCBROFXHDYSME-CNDDSTCGSA-N	266.772	1.909	10	20	CDCD	
COc1ccc(CN[C@H]2CCC[C@H]2C(=O)O)c(O)c1OC	1594096037	LZRKMFQMPFHHLR-MNOVXSKESA-N	295.335	1.752	10	20	CDCD	
CSCCN[C@@H](C)c1cccc(-c2nn[nH]n2)c1O	1591700286	QZNBAUBGZHYQTC-QMMMGPOBSA-N	279.369	1.586	10	20	CDCD	
C[C@@H](NC(=O)[C@H]1C[C@@H](C(=O)O)C1)c1ccccc1O	1599839923	VPWGWVIKFKNHEH-BBBLOLIVSA-N	263.293	1.680	10	20	CDCD	
CCN1CCCc2cc(CN[C@H](COC)C(=O)O)ccc21	1776875719	DJYUKMXFFSWNAW-CQSZACIVSA-N	292.379	1.648	10	20	CDCD	
CN(C)C[C@@](C)(O)CNCc1ccc2c(c1)CCCO2	921930208	IIZNOYWGKIEAND-INIZCTEOSA-N	278.396	1.414	10	20	CDCD	
C[C@H](NCc1ccc2c(c1)CCCO2)c1nncn1C	921685958	ZOLZSHNILINUJC-NSHDSACASA-N	272.352	1.991	10	20	CDCD	
COc1ccc(O)c(CN2C[C@H](OC)[C@H](OC)C2)c1	234866216	LSYJLLYJTOPBDK-OKILXGFUSA-N	267.325	1.246	10	20	CDCD	
COC1(C)CCN(C(=O)c2cccc(O)c2O)CC1	279773338	GNWXYSKYKBYMQO-UHFFFAOYSA-N	265.309	1.739	10	20	CDCD	
CN(C)C[C@H]1CCCCN1C(=O)Cc1ccc(N)cc1	404867295	ARQNVBZKLCJWLY-OAHLLOKOSA-N	275.396	1.754	10	20	CDCD	
O=C1CCCN1CCNCc1cc(Cl)ccc1O	405285523	FUVSBFLUUHPZQU-UHFFFAOYSA-N	268.744	1.758	10	20	CDCD	
O=C(N[C@H]1CCCCC12OCCO2)c1cccc(O)c1O	715925538	RRTJNASUKOYGSO-LBPRGKRZSA-N	293.319	1.513	10	20	CDCD	
Oc1cccc(Br)c1CN[C@@H]1CC[C@H]1O	858182984	PHXAMGBSZBALFV-MWLCHTKSSA-N	272.142	1.768	10	20	CDCD	
CCS(=O)(=O)NCCCSc1nccs1	117365237	FLJHOVNTIHDUIH-UHFFFAOYSA-N	266.413	1.565	10	20	CDCD	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)NC1CC1	172196776	SBBJEWQYOPVBEM-UHFFFAOYSA-N	287.363	1.182	10	20	CDCD	
COc1ccc(N2CCN([C@H]3CCN(C)C3=O)CC2)cc1	172017465	RPKRZJWENFPZEE-HNNXBMFYSA-N	289.379	1.048	10	20	CDCD	
Oc1cc2c(cc1CNC[C@H]1CCN(C3CC3)C1)OCO2	42880168	YMAFTJDCYBECCO-LLVKDONJSA-N	290.363	1.695	10	20	CDCD	
Cc1cc(NC(=O)CSc2nccs2)n(C)n1	48875537	CMNWRWGILAWGQD-UHFFFAOYSA-N	268.367	1.916	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N2CCC(CO)CC2)cc1	43862637	KUKCEUUCGJLBLU-UHFFFAOYSA-N	291.395	1.667	10	20	CDCD	
CC[C@@H](CO)N[C@@H](C)c1cc(C(=O)OC)ccc1O	275712186	MJCYTCGXFHCQQG-ONGXEEELSA-N	267.325	1.600	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)NC[C@@H]2CCOC2)c1	273433943	WMTZTUYCVAQNLN-QWRGUYRKSA-N	279.336	1.866	10	20	CDCD	
CCN(C[C@H](O)CN(C)C1CC1)c1ccc(OC)cc1	289299317	CHWRDSNGLHHIDJ-OAHLLOKOSA-N	278.396	1.977	10	20	CDCD	
CCCCN(Cc1ccccc1O)[C@H](C)C(=O)NC(N)=O	282517906	SRHLJFOFCXQMQG-LLVKDONJSA-N	293.367	1.578	10	20	CDCD	
C[C@@H](CCO)CCNC(=O)NCc1ccc(N(C)C)cc1	296443605	UBHPQFJRGZGZHC-CYBMUJFWSA-N	293.411	1.960	10	20	CDCD	
COc1ccc(O)c(CNCc2cn(C(C)C)nn2)c1	808390417	UIHRHGIYZZCFAN-UHFFFAOYSA-N	276.340	1.863	10	20	CDCD	
CCOc1ccc(N(CC)C[C@@H](O)COCCOC)cc1	295663796	IOPLRSSVZMQNHQ-OAHLLOKOSA-N	297.395	1.936	10	20	CDCD	
CC(C)[C@H](CO)CNCc1ccc(N2CCOCC2)cc1	394069069	ITBGMXKNMAMCAJ-INIZCTEOSA-N	292.423	1.877	10	20	CDCD	
COc1cccc(O)c1CN1C[C@H](C)C[C@@H](CO)C1	817412271	HMOXKOWUZKHURU-VXGBXAGGSA-N	265.353	1.851	10	20	CDCD	
COCCNCCN[C@H](C)c1cc([N+](=O)[O-])ccc1O	817964852	LELSJZMDNFHOJJ-SNVBAGLBSA-N	283.328	1.187	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)C2(C)CNC2)cc1F	829038601	LCHHPXQCNMKWBV-UHFFFAOYSA-N	293.386	1.898	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2cnc(C)cn2)c1	728985425	XPTHAHOBOVMFJJ-SNVBAGLBSA-N	287.319	1.990	10	20	CDCD	
Cc1cc(O)c(CN2CC(N3CC[C@@H](O)C3)C2)cc1Cl	826139654	JSFJFKCIZWLGEN-CYBMUJFWSA-N	296.798	1.605	10	20	CDCD	
COc1cc(O)ccc1NS(=O)(=O)N1CCCCC1	901703214	DUIHQWNWONDKSX-UHFFFAOYSA-N	286.353	1.543	10	20	CDCD	
CC(C)(CNC(=O)c1cc(O)cs1)N1CCOCC1	731861479	CJSSWKPIPVNXOA-UHFFFAOYSA-N	284.381	1.294	10	20	CDCD	
CC[C@@H]1OCC[C@H]1NC(=O)NCc1cccc(OC)c1O	838777421	XZUJWOYPHXVSMI-NEPJUHHUSA-N	294.351	1.768	10	20	CDCD	
COCCN(CC(=O)O)Cc1ccc(N(C)C)cc1C	901587115	LFHWQGXKGNPXLV-UHFFFAOYSA-N	280.368	1.594	10	20	CDCD	
CCO[C@@H]1C[C@@H](NC(=O)Cc2ccc(N)cc2)[C@@H]1OC	832152570	RNBLHVUOYVNKKE-NFAWXSAZSA-N	278.352	1.120	10	20	CDCD	
COC[C@@H](O)CN(CC1CC1)c1ccc(OC)cc1	831587520	CRGCMPHYTWRUJH-AWEZNQCLSA-N	265.353	1.919	10	20	CDCD	
COc1cccc(CNC(=O)C[C@H](C)n2ccnc2)c1O	845832621	FKJXYPOPFPTCPP-NSHDSACASA-N	289.335	1.865	10	20	CDCD	
COc1ccc(N2CCC(N[C@@H](C)CN)CC2)cc1	841066891	RAMYIYWFMODXJR-LBPRGKRZSA-N	263.385	1.601	10	20	CDCD	
CC1=C(C)CN(C(=O)C(=O)Nc2ccc(N)cc2)CC1	841121245	RSHLNSRNBKKZCT-UHFFFAOYSA-N	273.336	1.776	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC[C@@]1(C)CCC(=O)N1	840952543	DRNDNBVYYJMHAX-MRXNPFEDSA-N	275.396	1.819	10	20	CDCD	
COc1cccc([C@H](C)N[C@H]2CCN(C)C2)c1O	846143218	CTPXOLGUWCCVMB-QWRGUYRKSA-N	250.342	1.756	10	20	CDCD	
C[C@H](CCCCO)NC(=O)NCCc1ccc(N)cc1	841955975	SWHCSCICEURKGX-GFCCVEGCSA-N	279.384	1.662	10	20	CDCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NCc1cnn(C)n1	840977132	SCPQKPBQZBHFMK-ZDUSSCGKSA-N	287.411	1.910	10	20	CDCD	
NC[C@H]1CCN(Cc2c(O)ccc(Cl)c2F)C1	843048249	GDZZICFAMIQGNG-MRVPVSSYSA-N	258.724	1.965	10	20	CDCD	
CCN(CCC(=O)NC)Cc1ccc(N(C)C)cc1	920206549	NHOBZSGBILZURS-UHFFFAOYSA-N	263.385	1.711	10	20	CDCD	
COC(=O)[C@H]1C[C@H](C)CCN1C(=O)c1cccc(O)c1O	857328992	ALADIDAUSQGCKM-MWLCHTKSSA-N	293.319	1.512	10	20	CDCD	
C[C@@H](C1CC1)N(C)S(=O)(=O)N(C)Cc1ccccc1O	751236707	YUHUJUGUZAMLBM-NSHDSACASA-N	298.408	1.799	10	20	CDCD	
COC(=O)N(C)CCNC(=O)NCc1cc(C)ccc1O	858620617	CXFVWBBPVLSZEZ-UHFFFAOYSA-N	295.339	1.198	10	20	CDCD	
CCN1CC[C@H](NC(=O)NCc2cc(C)ccc2O)C1=O	858431468	BXSPOPYGLFMZEF-LBPRGKRZSA-N	291.351	1.121	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NCc2snnc2C)c1	858484088	IRQYKRHDKRRTGT-UHFFFAOYSA-N	292.364	1.860	10	20	CDCD	
CCN(CCC(=O)OC)Cc1c(O)cccc1OC	768993365	VHZGWLCGGAMPJN-UHFFFAOYSA-N	267.325	1.786	10	20	CDCD	
CC[C@@H](N[C@@H]1COCC[C@H]1O)c1ccc(F)cc1O	866497475	MOPGCPRFFYOBIE-JHJVBQTASA-N	269.316	1.722	10	20	CDCD	
O=C(NCCCSc1nccs1)c1ccncn1	778817977	SJEZFPFANHAIFJ-UHFFFAOYSA-N	280.378	1.845	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CC(C(F)F)C1	779533283	IFDNDDZPEUZDBI-DUXPYHPUSA-N	269.247	1.835	10	20	CDCD	
CCC[C@@H]1CN(C(=O)NCc2ccc(N)cc2)CCO1	1120677383	PGHYRVYYQJZDMK-CQSZACIVSA-N	277.368	1.979	10	20	CDCD	
CN(C)c1ccc(Cn2cc([C@]3(O)CCOC3)nn2)cc1	881272439	VCGYVUZFYWFXTI-HNNXBMFYSA-N	288.351	1.000	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)CN1CCC(CO)CC1	1120617261	GUOHXJSVIGRJRL-UHFFFAOYSA-N	292.379	1.055	10	20	CDCD	
Nc1ccc(CC(=O)N[C@H]2CCN3CCC[C@@H]3C2)cc1	132874247	DLJWJQRWSLNBRF-LSDHHAIUSA-N	273.380	1.554	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2csc(O)n2)cc1F	792106324	MPTRFPHVGNTTSR-UHFFFAOYSA-N	295.339	1.984	10	20	CDCD	
CC(=O)NCCCCCC(=O)NCc1ccccc1O	701121007	AYCYFDUGXDBHEI-UHFFFAOYSA-N	278.352	1.705	10	20	CDCD	
C[C@@H]1CCN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)C1	1321359125	FTJDAIQTRIPZHZ-GFCCVEGCSA-N	289.379	1.237	10	20	CDCD	
COC(=O)[C@@](C)(CO)NCc1ccc(N2CCCC2)cc1	1331526419	YACBIRZPVNJEHL-MRXNPFEDSA-N	292.379	1.300	10	20	CDCD	
Nc1cc(NCc2ccc(N3CCC(O)CC3)cc2)ncn1	1338044039	WYROOJMYGUFAOK-UHFFFAOYSA-N	299.378	1.632	10	20	CDCD	
CN(CC1(N(C)C)CCC1)C(=O)c1cccc(O)c1O	97933603	PHFWRJHREJVIFY-UHFFFAOYSA-N	278.352	1.654	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)NC[C@H]1C[C@@H](O)C1	1349330367	GXANCNZYGCEPEB-JNSHFYNHSA-N	291.395	1.631	10	20	CDCD	
CCc1ccnc(CNC(=O)c2cccc(O)c2O)c1	798064582	YCKGNHUKCVKMNX-UHFFFAOYSA-N	272.304	1.985	10	20	CDCD	
COC[C@H]1CN(C(=O)NCc2ccc(N)cc2)C[C@H](C)O1	1346739061	MHBMIJSAQWROJX-SMDDNHRTSA-N	293.367	1.214	10	20	CDCD	
CCn1c(-c2sccc2O)nnc1N1CCO[C@H](C)C1	1356279658	ZNYHLUDTQCDOBK-SECBINFHSA-N	294.380	1.957	10	20	CDCD	
COc1ccc(CNC[C@H](C)N(C)C2CC2)c(O)c1OC	1355252334	KOZIXWAXKXQTOL-NSHDSACASA-N	294.395	1.982	10	20	CDCD	
CC(C)Cn1nnnc1N(C)Cc1ccccc1O	1354307052	WWDODGMQWWFPPY-UHFFFAOYSA-N	261.329	1.671	10	20	CDCD	
CC[C@H](CNC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)O	1605028182	OIUYQNKZRGGBPQ-AYYIZTPMSA-N	279.292	1.338	10	20	CDCD	
CC[C@@H](NC[C@@H]1CCN(c2ccc(OC)cc2)C1)C(=O)O	1609932564	MTSDHTQQXCMBIJ-SWLSCSKDSA-N	292.379	1.974	10	20	CDCD	
COc1cccc(O)c1CN1C[C@@H](C)[C@H](CC(=O)O)C1	1607326283	BPRIHKGYLCEWTM-GHMZBOCLSA-N	279.336	1.943	10	20	CDCD	
COc1ccc(CN2CCN[C@H](C)[C@@H]2C)c(O)c1OC	1579214047	UVTAOTQQJRHBSD-MNOVXSKESA-N	280.368	1.592	10	20	CDCD	
COC[C@@](C)(CC(=O)O)NCc1ccc2c(c1)CCCO2	1599149701	NSSUABXTEHTLTF-MRXNPFEDSA-N	293.363	1.981	10	20	CDCD	
CCc1cccc(CN2CC[C@](OC)(C(=O)O)C2)c1O	1597586514	GBOMZYULQKFKDC-OAHLLOKOSA-N	279.336	1.630	10	20	CDCD	
COc1cc(O)c(CN(C2CC2)[C@@H](C)C(=O)O)cc1OC	1594066763	XIYWABKWDXWARU-VIFPVBQESA-N	295.335	1.847	10	20	CDCD	
CCn1nncc1CNCc1ccc2c(c1)CCO2	841860341	NJPLIAKZWSHUHB-UHFFFAOYSA-N	258.325	1.523	10	20	CDCD	
COC[C@@H](O)CCNCc1cc(Cl)cc(OC)c1O	230935424	UKQIDKPKXAAQDJ-NSHDSACASA-N	289.759	1.541	10	20	CDCD	
COc1cc(N2CC[C@@](C)(O)C2)c([N+](=O)[O-])cc1OC	234906288	ATERIQRLQVWXBH-CYBMUJFWSA-N	282.296	1.573	10	20	CDCD	
C[C@H]1CS(=O)(=O)CCN1Cc1cc(F)cc(F)c1O	708421023	BFIKYNLJUMDLFY-QMMMGPOBSA-N	291.319	1.289	10	20	CDCD	
CCc1cccc(CN[C@H](C)C[S@](C)=O)c1O	691527929	VNWYHGYFISIUNG-QGHHPUGFSA-N	255.383	1.811	10	20	CDCD	
CO[C@@H]1COC[C@@H]1N[C@H](C)c1ccc(F)cc1O	840825903	DTFGUXGWQDZLED-YDEJPDAXSA-N	255.289	1.596	10	20	CDCD	
CC(C)CNC(=O)NCc1ccc(N2CCOCC2)cc1	54786767	NYKLXGYTUAKLID-UHFFFAOYSA-N	291.395	1.978	10	20	CDCD	
Cc1cccc(CN[C@@H]2CCCS(=O)(=O)C2)c1O	124837378	CDYVAPYTQQHVIR-GFCCVEGCSA-N	269.366	1.367	10	20	CDCD	
CC(=O)N1CC[C@@H](CN(C)Cc2cc(F)ccc2O)C1	180288217	GKJAEWCJNCJWTO-LBPRGKRZSA-N	280.343	1.832	10	20	CDCD	
COc1ccc(O)c(CNC(=O)C[C@@H]2CCCCO2)c1	132842816	CFESKSJGWAYSRG-ZDUSSCGKSA-N	279.336	1.976	10	20	CDCD	
CCN(CC(=O)NC)Cc1cc(Cl)ccc1O	132612651	ADTQXTVMBDOLGZ-UHFFFAOYSA-N	256.733	1.614	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)N[C@H](C)CO)cc1F	264633150	VVAHPUQSFFHPEB-LLVKDONJSA-N	297.374	1.852	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C1(C)COC1	272869588	UJGUDMMYWUXIBZ-UHFFFAOYSA-N	262.353	1.748	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)NC[C@@H](C)CO)c1	273441227	YJKUEGZEVPUGLN-ZJUUUORDSA-N	267.325	1.458	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@H]2C[C@@]23CCOC3)cc1F	372020904	PFJIAMDNTMFXRN-BLLLJJGKSA-N	292.354	1.935	10	20	CDCD	
C[C@H]1CSC[C@H]1NC(=O)NCc1ccccc1O	805790556	BDQJMFNMVYOJCA-GXSJLCMTSA-N	266.366	1.943	10	20	CDCD	
Cc1nccnc1CCNCc1cc2c(cc1O)OCO2	293134048	TULBFKHHQSUPPD-UHFFFAOYSA-N	287.319	1.552	10	20	CDCD	
COc1ccc(O)c(CN2CCC[C@H](O)CC2)c1	294200591	XUUOELCLNWBMIC-LBPRGKRZSA-N	251.326	1.748	10	20	CDCD	
Cc1ccc(O)c([C@@H](C)NCCCN2CCNCC2)c1	817937545	XOJHCZRUMALUIZ-CQSZACIVSA-N	277.412	1.647	10	20	CDCD	
N[C@@H]1CCC[C@H]1NCc1ccc(N2CCOCC2)c(F)c1	817889796	VXPHQMWPHMWNCM-HUUCEWRRSA-N	293.386	1.632	10	20	CDCD	
CCn1cc(C(=O)NCc2cc(C)ccc2O)nn1	827168060	XOTKZWRFRDJWHB-UHFFFAOYSA-N	260.297	1.242	10	20	CDCD	
C[C@H]1CN(Cc2cc3c(cc2O)OCO3)C[C@@H]1C(=O)O	828455793	GSWXUTSAMRBJBR-WPRPVWTQSA-N	279.292	1.273	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CCNC1	841826776	IXEYSOFHYIMQSO-CYBMUJFWSA-N	276.384	1.222	10	20	CDCD	
Cc1nnc(CNC(=O)NCc2ccc(N(C)C)cc2)o1	915927396	KXAVCXVPUUGSSI-UHFFFAOYSA-N	289.339	1.443	10	20	CDCD	
O=C(O)/C=C\c1ccc(N2CCC[C@H](O)C2)c([N+](=O)[O-])c1	844211126	HFBYOXOORXCQCQ-QZPNVGJNSA-N	292.291	1.654	10	20	CDCD	
CNC(=O)NC1CCN(Cc2cc(C)c(C)cc2O)CC1	840974309	FSTHFUVRXGRUNK-UHFFFAOYSA-N	291.395	1.902	10	20	CDCD	
CNC(=O)[C@@H]1CCC[C@H]1N[C@@H](C)c1cc(OC)ccc1O	756776064	VHVJWAMSSJCSND-ZKYQVNSYSA-N	292.379	1.966	10	20	CDCD	
C[C@@H](NCCN1CC[C@H](O)C1)c1ccc(Cl)cc1O	858606127	ICHXAOXHVZQDCR-PWSUYJOCSA-N	284.787	1.763	10	20	CDCD	
N[C@]12CCC[C@@H]1CN(Cc1cccc(F)c1O)C2	857226406	NDFLKVSOGLFNAK-RISCZKNCSA-N	250.317	1.845	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)N[C@H]2CCN(C)C2)c1	756536292	UNQQBOMTQVJNRO-PWSUYJOCSA-N	278.352	1.534	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)C[C@@H]2CCCC(=O)N2)c1	862755371	FUZMIUBVJGLPHM-LBPRGKRZSA-N	276.336	1.376	10	20	CDCD	
COC(=O)CCCC(=O)NCc1cc(C)ccc1O	863936924	CFZGRZNIBLVSRW-UHFFFAOYSA-N	265.309	1.660	10	20	CDCD	
COc1ccc(CNC(=O)Cn2nccc2C)c(O)c1	861490346	RVXCLESJRYFUET-UHFFFAOYSA-N	275.308	1.222	10	20	CDCD	
C[C@H]1C[C@H](NC(=O)N[C@H](C)c2ccccc2O)CO1	868741258	PHHDARKSHWLONZ-AXFHLTTASA-N	264.325	1.930	10	20	CDCD	
CCc1cccc(CNCCN2CC[C@H](O)C2)c1O	862550290	DEICZUMABCRWDA-AWEZNQCLSA-N	264.369	1.111	10	20	CDCD	
CC(=O)C(=O)CS(=O)(=O)c1ccc(Cl)s1	863319055	CMUXNHPVAPVEBC-UHFFFAOYSA-N	266.727	1.333	10	20	CDCD	
CN(C(=O)C[C@@H]1CSCCN1)c1ccc(N)cc1	877077774	UHQBQZPIPYKXTG-LLVKDONJSA-N	265.382	1.327	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)c1cnn2ccccc12	778918195	OEJCUUBACZVGBN-UHFFFAOYSA-N	283.287	1.676	10	20	CDCD	
COC(=O)[C@]1(F)CCN(Cc2c(C)cccc2O)C1	876796048	XAMGLULNWLFKQP-AWEZNQCLSA-N	267.300	1.788	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)CC[C@@]1(C)CCC(=O)N1	770553772	ZICSOKOCDSMIDJ-MRXNPFEDSA-N	290.363	1.800	10	20	CDCD	
C[C@H](NCCNC(=O)C1CC1)c1c(O)cccc1F	886489983	WTELERYUEMREQJ-VIFPVBQESA-N	266.316	1.708	10	20	CDCD	
Nc1cccc([N+](=O)[O-])c1C(=O)NCc1ccccc1O	779537932	SOLIFGJAHVVFRW-UHFFFAOYSA-N	287.275	1.813	10	20	CDCD	
CCCN(C(=O)c1cccc(O)c1O)[C@H](C)C(=O)OC	888612794	GDTWHYCCVVAJBZ-SECBINFHSA-N	281.308	1.512	10	20	CDCD	
O=C(COC(=O)[C@@H]1C[C@H]1C1CC1)c1ccc(O)c(O)c1	784056585	UWJXPGUMNOKMPF-WDEREUQCSA-N	276.288	1.870	10	20	CDCD	
COc1cccc(CNC(=O)[C@H]2CCN2C(C)(C)C)c1O	896115639	HMDQTDXGEPKJRF-GFCCVEGCSA-N	292.379	1.890	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2ccc3cncn3c2)c1	786409644	PDFBTWDOIWUCHT-UHFFFAOYSA-N	297.314	1.979	10	20	CDCD	
COc1ccc(CNC[C@@]2(C)CCC(=O)N2)c(O)c1OC	894804762	QIANSTBCGLQSLZ-OAHLLOKOSA-N	294.351	1.168	10	20	CDCD	
COc1ccc(CN[C@H]2C[C@@H](C(=O)OC)C2)c(O)c1OC	895435314	ZOWYXTINYQSXKN-PHIMTYICSA-N	295.335	1.451	10	20	CDCD	
CCCCN(CC(N)=O)Cc1cc(OC)ccc1O	132869835	SWRGMPMLASHZDM-UHFFFAOYSA-N	266.341	1.488	10	20	CDCD	
COc1ccc(O)c(CN2CCn3cnnc3[C@@H]2C)c1	792189930	VSBLTQJFEOVRNK-JTQLQIEISA-N	274.324	1.569	10	20	CDCD	
COCCN1CCN(Cc2cc(F)cc(F)c2O)CC1	893916162	DNNCDLXFYPMBEC-UHFFFAOYSA-N	286.322	1.434	10	20	CDCD	
CCN(CC)C(=O)CNCc1cc(OC)ccc1O	135763345	NBMVRHVMDIHIMU-UHFFFAOYSA-N	266.341	1.359	10	20	CDCD	
C[C@H]1CCC[C@H]1NC(=O)C(=O)NCCc1ccc(N)cc1	1325729351	NAPKULQWLREYJX-SMDDNHRTSA-N	289.379	1.232	10	20	CDCD	
COc1cccc(O)c1CN1CCCS(=O)(=O)CC1	769399792	MQSGTZBJYWGUME-UHFFFAOYSA-N	285.365	1.021	10	20	CDCD	
O=C(NCc1cccc(O)c1O)[C@@H]1CCCCO1	1350299552	DEWLYWJLNPVWGM-NSHDSACASA-N	251.282	1.283	10	20	CDCD	
C[C@H](CCCN)N[C@H](C)c1cc(C(=O)O)ccc1O	1604131658	BJOVOMYTAGULDJ-NXEZZACHSA-N	266.341	1.868	10	20	CDCD	
C[C@@H](NC(=O)NC[C@H]1CCN1)c1ccc(N(C)C)cc1	1576207508	MTQHJBHXQAUZSO-DGCLKSJQSA-N	276.384	1.475	10	20	CDCD	
CC(C)C[C@H](CNC(=O)Cc1ccc(O)c(O)c1)C(=O)O	1588846770	HQWBBIMNVQUEKN-LLVKDONJSA-N	295.335	1.503	10	20	CDCD	
CCN(CC(=O)O)Cc1cc(Cl)cc([N+](=O)[O-])c1O	1596224832	CRVVOKMXBSTDHT-UHFFFAOYSA-N	288.687	1.860	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@H](N)Cc2ccccc2)cc1	203317529	GIFRJNQBPQJXAC-QGZVFWFLSA-N	297.402	1.939	10	20	CDCD	
COc1cccc(CNC(=O)c2ccc([N+](=O)[O-])o2)c1O	155624182	SSPUGADHXYFOIO-UHFFFAOYSA-N	292.247	1.832	10	20	CDCD	
C[C@@H](NC(=O)[C@@H]1CCCS1(=O)=O)c1ccccc1O	827951948	AFXIJDRMFWQPKJ-SKDRFNHKSA-N	283.349	1.147	10	20	CDCD	
Oc1ccc(Br)cc1CNCCN1CCC1	310038002	VRHGJYNMMRFTGF-UHFFFAOYSA-N	285.185	1.950	10	20	CDCD	
COC[C@](C)(O)CN[C@@H](C)c1ccc(N(C)C)cc1	382570594	QVZOPCDYCOEEDO-SWLSCSKDSA-N	266.385	1.801	10	20	CDCD	
COc1cccc(CNC(=O)CCN2CCCC2=O)c1O	105649929	WQLWNOUZFNNIFG-UHFFFAOYSA-N	292.335	1.030	10	20	CDCD	
COc1cccc(CNC(=O)c2ccnn2C)c1O	170796063	BDMBTHCVEYKMRK-UHFFFAOYSA-N	261.281	1.064	10	20	CDCD	
Cc1nn(C)cc1[C@@H](C)NC(=O)NCc1ccccc1O	69823027	TTXNUQRHFRTQOG-SNVBAGLBSA-N	288.351	1.995	10	20	CDCD	
C[C@@H]1OCC[C@@]1(O)CNCc1cccc(Cl)c1O	228094311	CKYGOYUEVKTCQZ-TVQRCGJNSA-N	271.744	1.675	10	20	CDCD	
CS[C@@H]1CCN(C(=O)c2cccc(O)c2O)C1	294197243	GTTPWNKETFHAAH-MRVPVSSYSA-N	253.323	1.675	10	20	CDCD	
CCS(=O)(=O)CCN(C)Cc1cccc(Cl)c1O	180422680	NVDGQNYJKTXZNB-UHFFFAOYSA-N	291.800	1.912	10	20	CDCD	
CCOc1cccc(CNC[C@H](C)CCO)c1O	97439601	HIMZIKDAWBDQQY-LLVKDONJSA-N	253.342	1.899	10	20	CDCD	
CCOC(=O)/C(=C/c1cncs1)c1nccn1C	268943333	GFTYSEQNPAIGPQ-UXBLZVDNSA-N	263.322	1.980	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@]12CCNC2	364154439	DLHSHADBUNURHH-WFASDCNBSA-N	260.337	1.350	10	20	CDCD	
COC(=O)[C@@]1(F)CCN(C(=O)c2ccc(C)c(O)c2O)C1	271309116	VCJISYFGVZNGFY-CQSZACIVSA-N	297.282	1.133	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)CCc2ncc[nH]2)c1	806791672	GPMRLIPIRLLODY-SNVBAGLBSA-N	289.335	1.934	10	20	CDCD	
C[C@@H](OC(=O)/C=C\c1ccc(O)c(O)c1)c1nncn1C	805508834	NWBPVQRBHSVFBF-XTULLQBASA-N	289.291	1.544	10	20	CDCD	
CCN(CCCN1C(=O)CNC1=O)c1ccc(OC)cc1	299375317	LYQGXVMTFLLCGG-UHFFFAOYSA-N	291.351	1.463	10	20	CDCD	
CCN(C)c1ccc(CN(CC)[C@H]2CCNC2=O)cc1	815107611	MBJKLSGDTOMIEI-HNNXBMFYSA-N	275.396	1.853	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CO[C@H](C)C2)c1	827612844	OYBAWDGVLGQPDY-VWYCJHECSA-N	294.351	1.938	10	20	CDCD	
CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)NCc1ccccc1O	726249039	UMGPWJMLBKNJAQ-GHMZBOCLSA-N	293.367	1.495	10	20	CDCD	
CCCN1CC[C@H](NCc2cc(OC)c(OC)cc2O)C1	827519401	MKLWBEXELAUNOA-ZDUSSCGKSA-N	294.395	1.983	10	20	CDCD	
Nc1ccc(CC(=O)NCc2nnc3n2CCCC3)cc1	827205824	UOFBXCFSCWGXPD-UHFFFAOYSA-N	285.351	1.056	10	20	CDCD	
CCc1cc(O)ccc1NS(=O)(=O)N=S(C)(C)=O	901662162	WMNQXQGBSGQTFE-UHFFFAOYSA-N	292.382	1.339	10	20	CDCD	
COCCN(CCOC)C(=O)c1cc(O)cs1	732266729	IZQWEMSGIGSUOM-UHFFFAOYSA-N	259.327	1.189	10	20	CDCD	
CN(C)c1ccc(CN[C@@H](CC(F)F)C(=O)O)cc1	901814517	UYRLPLSBQKVRFU-NSHDSACASA-N	272.295	1.951	10	20	CDCD	
COc1cccc(CN[C@@H]2C[C@H]3CCCCN3C2=O)c1O	835075122	VTSQJZXWEINURO-CHWSQXEVSA-N	290.363	1.644	10	20	CDCD	
COc1ccc(C(=O)NCc2cccc(OC)c2O)nn1	738527118	PXGCTUVYXPSQNS-UHFFFAOYSA-N	289.291	1.129	10	20	CDCD	
C[C@@H](C[C@@H](C)N)NC(=O)N(C)Cc1ccccc1O	831202849	NIBCDIVNLNNFQN-MNOVXSKESA-N	265.357	1.659	10	20	CDCD	
C[C@H](NC(=O)c1cnnc(O)c1)c1ccc(N(C)C)cc1	832431842	WKEQTWLVKXGYTJ-JTQLQIEISA-N	286.335	1.739	10	20	CDCD	
COc1ccc(CNC(=O)CSC2CC2)c(O)c1	831038367	INAROQFOTDHMOV-UHFFFAOYSA-N	267.350	1.913	10	20	CDCD	
C[C@@H](N)C[C@@H](C)NC(=O)N(C)Cc1ccccc1O	831202847	NIBCDIVNLNNFQN-GHMZBOCLSA-N	265.357	1.659	10	20	CDCD	
CCN(C)c1ccc(CN2CCOC[C@@H]2C(=O)O)cc1	846225992	VXOJKHZFDVSUHA-CQSZACIVSA-N	278.352	1.428	10	20	CDCD	
Cc1cc(C)n(CC(=O)NCc2ccc(O)cc2O)n1	910951969	NAOBQYBQFSMOCI-UHFFFAOYSA-N	275.308	1.228	10	20	CDCD	
C[C@@H](CN)CNC(=O)N(C)Cc1ccc(N(C)C)cc1	841962313	HZYRWUUXDTWHBO-LBPRGKRZSA-N	278.400	1.489	10	20	CDCD	
Oc1ccc(CCNC(=S)NC[C@H]2CCOC2)cc1O	749647543	NSLUXBYARMNDIR-LLVKDONJSA-N	296.392	1.141	10	20	CDCD	
CCONC(=O)CNCc1ccc2c(c1)CCCO2	922220895	CVOCWQOLEZMULV-UHFFFAOYSA-N	264.325	1.169	10	20	CDCD	
COc1ccc(N2CC[C@@H](CN=c3nc[nH]n3C)C2)cc1	846752624	SZDMPEKUZVENCQ-LBPRGKRZSA-N	287.367	1.184	10	20	CDCD	
CCc1cccc(CN2CC(OCC(=O)N(C)C)C2)c1O	848917822	XTJNKDKGDVJVRL-UHFFFAOYSA-N	292.379	1.244	10	20	CDCD	
O=C(CCOC[C@@H]1CCCO1)NCc1ccccc1O	748346503	ZANGWCAFRPUDQR-ZDUSSCGKSA-N	279.336	1.594	10	20	CDCD	
O=C(NCc1ccccc1O)c1cn(-c2ccccc2)nn1	748346113	NCDMMZPKACYQIT-UHFFFAOYSA-N	294.314	1.903	10	20	CDCD	
CCc1cccc(CN2C[C@@H](CO)OC[C@H]2C)c1O	848890191	PUTWGJWVKSJTCI-RISCZKNCSA-N	265.353	1.536	10	20	CDCD	
CNC(=O)C[C@H](C)NC(=O)NCc1cc(C)ccc1O	858521173	ZYKDAVFTFZKTFN-JTQLQIEISA-N	279.340	1.024	10	20	CDCD	
CC[C@@H](O)CNC(=O)NCc1ccc(N2CCCC2)cc1	853411884	OYSLBNHYRMOUMY-OAHLLOKOSA-N	291.395	1.857	10	20	CDCD	
CNC[C@H](C)NC(=O)N[C@@H](C)c1cc(OC)ccc1O	851681020	LYBKIFXPRLSZBD-UWVGGRQHSA-N	281.356	1.369	10	20	CDCD	
O=C(NCCCSc1nccs1)N1CC(F)C1	753223408	SGVFCEAHAMRCHD-UHFFFAOYSA-N	275.374	1.989	10	20	CDCD	
CCN(CC)c1ccc(CNC[C@@]2(O)CCN(C)C2)cc1	762570001	VPSTWTOAJAQGJU-KRWDZBQOSA-N	291.439	1.689	10	20	CDCD	
C[C@H]1C[C@@H](N[C@@H]2COC[C@@H]2O)c2c(O)ccc(F)c21	866421222	XSULCXBUFYLBEX-UYAIAHHASA-N	267.300	1.429	10	20	CDCD	
Cn1cccc1CNC(=O)/C=C/c1ccc(O)c(O)c1	779525295	JQFUOQUYERZYHO-FNORWQNLSA-N	272.304	1.766	10	20	CDCD	
CCOc1ccc(N2CCN(CCOCCO)CC2)cc1	1116351983	NVGFTADFDZJXFY-UHFFFAOYSA-N	294.395	1.216	10	20	CDCD	
C[C@@H](NC(=O)Cn1cncn1)c1ccc(N(C)C)cc1	772993984	JXJFNJZSPCAGBM-LLVKDONJSA-N	273.340	1.222	10	20	CDCD	
COC(=O)[C@H](O)C1CCN(Cc2ccc(C)cc2O)CC1	876810480	VWLZPSNJQVTEJU-OAHLLOKOSA-N	293.363	1.447	10	20	CDCD	
CO[C@H](C(=O)N[C@H](C)Cc1ccc(O)c(O)c1)C(C)C	773761245	HGKONRBXIXDUIY-YGRLFVJLSA-N	281.352	1.816	10	20	CDCD	
O=S(=O)(Nc1ccc(O)cc1)c1cccc2nonc12	776744343	GXFFZNVXIVWVLS-UHFFFAOYSA-N	291.288	1.729	10	20	CDCD	
O=C1NCCN1CCNCc1cc(Cl)c(F)cc1O	895814146	LAGQPSHABXAASE-UHFFFAOYSA-N	287.722	1.300	10	20	CDCD	
CO[C@@H](C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	891254956	KUMTWZRNRZJUSZ-SWLSCSKDSA-N	293.411	1.506	10	20	CDCD	
COC(=O)[C@@H](C)N(C)Cc1ccc(OC)c(OC)c1O	894167573	KGSOXVNNHWVHOX-SECBINFHSA-N	283.324	1.403	10	20	CDCD	
Cc1nc(COC(=O)c2ccc(C)c(O)c2O)n[nH]1	795374967	SEBWUEBICYKQOE-UHFFFAOYSA-N	263.253	1.190	10	20	CDCD	
COc1cc(C)cc(CN2CC[S@](=O)C[C@@H](C)C2)c1O	894565851	HHIDJBNOJJJGBY-YUNKPMOVSA-N	297.420	1.910	10	20	CDCD	
CC[C@@H](NC[C@@]1(O)CCN(C)C1)c1ccc(C)cc1O	794815306	OMTOEMYNVMPVGE-ZBFHGGJFSA-N	278.396	1.808	10	20	CDCD	
CCCN(CCO)Cc1cc(F)cc(C(C)=O)c1O	50145949	UZOWFTCSWOQSMD-UHFFFAOYSA-N	269.316	1.938	10	20	CDCD	
CC[C@@H](NCCC(=O)N(C)C)c1ccccc1O	37751597	UFGHFNZHRQQEEV-GFCCVEGCSA-N	250.342	1.911	10	20	CDCD	
COc1ccc(O)c(CN2CCC[C@@H]2CC(=O)O)c1	86791805	CEETTWLKWZSVIS-LLVKDONJSA-N	265.309	1.840	10	20	CDCD	
Cn1cc(S(=O)(=O)Nc2ccc(O)cc2F)cn1	85203915	BNDHIAHDTMKOEG-UHFFFAOYSA-N	271.273	1.066	10	20	CDCD	
CCOc1cccc(CN(C)[C@@H](C)C[S@](C)=O)c1O	187831257	PVGKBRIJOXPROF-WLRWDXFRSA-N	285.409	1.990	10	20	CDCD	
C[C@@]1(CN)CCN(C(=O)NCc2ccc(N)cc2)C1	1338792712	HPKGLCFAEYERRE-AWEZNQCLSA-N	262.357	1.149	10	20	CDCD	
C[C@@H](N[C@H]1CCN(C)C1=O)c1ccc(N(C)C)cc1	90074942	ODLXTGBPYOOFBQ-RISCZKNCSA-N	261.369	1.634	10	20	CDCD	
C[C@H]1CCN1C(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1	1336458405	RTEXDHOKXAKXDY-LBPRGKRZSA-N	289.379	1.332	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)C2CCS(=O)(=O)CC2)c1	1330124312	IHDSJCRVQKDIMA-UHFFFAOYSA-N	297.376	1.142	10	20	CDCD	
C[C@H]1CC[C@H](C)N1CC(=O)NCc1ccc(N)cc1	1342023970	YPIOPKYWDDEKEX-RYUDHWBXSA-N	261.369	1.758	10	20	CDCD	
Nc1ccc(CN2CCN(C[C@H]3CCOC3)CC2)cc1	1352789013	UCOBWZUGFCOBQJ-OAHLLOKOSA-N	275.396	1.423	10	20	CDCD	
CS[C@H](CO)[C@H](C)N[C@H](C)c1cc(C(=O)O)ccc1O	1607390175	QXHAMPJMSWCOCU-VYUIOLGVSA-N	299.392	1.853	10	20	CDCD	
COc1ccnc(OC)c1C(=O)Oc1ccc(N)cc1	1579317592	ZIGLARXSBVIDGV-UHFFFAOYSA-N	274.276	1.900	10	20	CDCD	
CC(C)(Cc1cnn[nH]1)C(=O)NCc1cc(O)ccc1O	1575301952	FYEVOVLSQVMNJR-UHFFFAOYSA-N	290.323	1.101	10	20	CDCD	
O=Cc1cc(O)c(O)c(I)c1	34211579	OOBOMBYQAJXCHV-UHFFFAOYSA-N	264.018	1.515	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)Nc1cccnn1	152115229	WSPYMTHOUXKJLZ-UHFFFAOYSA-N	274.280	1.252	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ncccc1O	153024832	IKZDUTQUDONXRV-SECBINFHSA-N	288.303	1.559	10	20	CDCD	
CN1CCC(N(C)C(=O)c2cccc(O)c2O)CC1	126219925	USENOAGAERBKOQ-UHFFFAOYSA-N	264.325	1.264	10	20	CDCD	
COc1ccc(O)c(CN2CCC(S(C)(=O)=O)CC2)c1	312801735	KMZHWNJPEFUWLY-UHFFFAOYSA-N	299.392	1.410	10	20	CDCD	
CCO[C@@H]1C[C@@H]1C(=O)NCc1cc(OC)ccc1O	172042430	QMJLFQIPRCHEHI-WCQYABFASA-N	265.309	1.442	10	20	CDCD	
COc1ccc(O)c(CN(CCO)C2CCN(C)CC2)c1	305772715	LHJMDLUDDAPBMR-UHFFFAOYSA-N	294.395	1.289	10	20	CDCD	
CN(CCS(C)(=O)=O)Cc1cccc(Cl)c1O	124537532	BMMFVAPCJCDYPG-UHFFFAOYSA-N	277.773	1.522	10	20	CDCD	
CC(C)NC(=O)CCCC(=O)NCc1ccc(N)cc1	1356227225	GLGQOMNEPAPDBV-UHFFFAOYSA-N	277.368	1.580	10	20	CDCD	
Cc1cccc(CNCCNC(=O)C(C)C)c1O	124663808	NNLXZUYDQAIDHT-UHFFFAOYSA-N	250.342	1.562	10	20	CDCD	
COc1cc(Cl)cc(CN2CC[C@H](CO)C2)c1O	184686150	AJCNKEHFFQXLAJ-VIFPVBQESA-N	271.744	1.868	10	20	CDCD	
COC[C@H]1CN(Cc2cc(F)ccc2O)C[C@@H](C)O1	188374806	OQBJJTNQMPGVSP-ZWNOBZJWSA-N	269.316	1.767	10	20	CDCD	
Nc1ccc(CC(=O)N2CCC[C@H](c3ccn[nH]3)C2)cc1	37820085	BFGABFYMOOWUFJ-ZDUSSCGKSA-N	284.363	1.941	10	20	CDCD	
CSC[C@@](C)(O)CNCc1ccc(N(C)C)cc1	217853236	OBGCMILZUYSIGM-AWEZNQCLSA-N	268.426	1.956	10	20	CDCD	
C[C@H](c1nnnn1C)N1CCOc2cc(N(C)C)ccc21	189785427	ZUMDILHZKAFPLD-SNVBAGLBSA-N	288.355	1.236	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H](C)c2cn(C)nc2C)c(O)c1O	182318542	AXTXYDXGRIIPNP-VIFPVBQESA-N	289.335	1.939	10	20	CDCD	
Cc1ccc([C@@H](C)NC[C@@H](C)N2CCN(C)CC2)c(O)c1	185365659	ZUXPYOCBWWVITQ-HUUCEWRRSA-N	291.439	1.987	10	20	CDCD	
COc1ccc(N2CCN(C(=O)[C@@H](C)[C@@H](C)N)CC2)cc1	133709383	SWHKACLGBRNIDO-QWHCGFSZSA-N	291.395	1.327	10	20	CDCD	
CO[C@H](C)CNC(=O)NCc1ccc(N(C)C)cc1	191071817	YMCHLOHNFRLWKI-LLVKDONJSA-N	265.357	1.587	10	20	CDCD	
C[C@H](N)[C@@H](C)C(=O)NCc1ccc(N(C)C)c(F)c1	192104486	QVRAKNGTBIMOJF-ZJUUUORDSA-N	267.348	1.491	10	20	CDCD	
COc1ccc(O)c(CNC(=O)C[C@H]2CCCOC2)c1	193596435	NFFMCAHEDRZWAW-LLVKDONJSA-N	279.336	1.834	10	20	CDCD	
Cc1nnsc1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	191515239	AVXJKEDWRPQIGE-ZETCQYMHSA-N	293.348	1.619	10	20	CDCD	
CCOc1cccc(CN2C[C@@H](C)[C@H](CO)C2)c1O	191729947	NSQWWRJZTUVJAJ-YPMHNXCESA-N	265.353	1.851	10	20	CDCD	
C[C@@H](NCc1cc([N+](=O)[O-])ccc1O)[C@H]1CCOC1	266154205	LJVQYVXIOYTOAS-ZJUUUORDSA-N	266.297	1.815	10	20	CDCD	
CN(C[C@@H]1CCOC1)C(=O)c1c(F)ccc(O)c1O	276672434	ZIURYUZLLPMDCY-QMMMGPOBSA-N	269.272	1.345	10	20	CDCD	
CCc1csc(CC(=O)NCc2ccc(O)c(O)c2)n1	283159691	JZJWSIAUWSZYNF-UHFFFAOYSA-N	292.360	1.976	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)NCCN(C)C)c1	287017216	KXLUDURHXOMIQE-JTQLQIEISA-N	266.341	1.391	10	20	CDCD	
CNCCC(=O)N1CCN(c2ccc(OC)c(F)c2)CC1	285947577	GCKQDTIBBGPXHN-UHFFFAOYSA-N	295.358	1.092	10	20	CDCD	
Nc1ccc(CN2CCCC[C@H]2C2OCCO2)cc1	1352786834	AZHSJXBYHVOJAE-AWEZNQCLSA-N	262.353	1.996	10	20	CDCD	
CC[C@H](CO)N(C)Cc1cc2c(cc1O)OCO2	295021635	CHNKNFUYOPTJEY-SNVBAGLBSA-N	253.298	1.324	10	20	CDCD	
CCCCN(Cc1ccccc1O)C(=O)c1n[nH]c(O)n1	802658240	PKNGJAYLLVNHBX-UHFFFAOYSA-N	290.323	1.658	10	20	CDCD	
CCOc1ccc(CN2CC[C@H](CC(N)=O)C2)c(O)c1	809785606	WPGOFANBQOFBDE-LLVKDONJSA-N	278.352	1.488	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H](C)CC(C)(C)O)c(O)c1O	297114763	GNMGLEOIERYSBJ-VIFPVBQESA-N	267.325	1.686	10	20	CDCD	
C[C@H](NC[C@@H]1C[C@H](F)CN1)c1ccc(F)cc1O	817976051	FCZXIVUPTQIKGT-LSJOCFKGSA-N	256.296	1.882	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)NCC[C@H](C)N)c1	817954174	XCASIOSMCYQDPU-VHSXEESVSA-N	266.341	1.567	10	20	CDCD	
Oc1cccc2c1[C@H](NC[C@H]1CNCCCO1)CC2	817982662	VHHXNUWHJSPTFL-CHWSQXEVSA-N	262.353	1.348	10	20	CDCD	
CN(C)c1ccc(CN[C@H](C(=O)O)c2ccnn2C)cc1	819164805	VFLMTBQJOKNRAI-AWEZNQCLSA-N	288.351	1.402	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2cc(C=O)c[nH]2)cc1	814789962	OPSXKGSFJPKNQA-UHFFFAOYSA-N	271.320	1.823	10	20	CDCD	
C[C@H](CC(=O)O)C(=O)NCc1ccc(N(C)C)c(F)c1	827295090	COUYVPPTPCOTAX-SECBINFHSA-N	282.315	1.619	10	20	CDCD	
CCn1cc(CNCc2ccc(N(C)C)cc2C)nn1	827086617	AEWZFOYYLLBHBO-UHFFFAOYSA-N	273.384	1.962	10	20	CDCD	
Cc1cc(O)c(CN2CCNC(=O)[C@H]2C)cc1Cl	824646098	XSINQLBUARDWKI-SECBINFHSA-N	268.744	1.674	10	20	CDCD	
CN(C)c1ccc([C@@H](N)CNC2CC(CN)C2)cc1	904354426	XWDJBUFGNMMLCI-HGMXIMQMSA-N	262.401	1.079	10	20	CDCD	
COc1ccc(CNC(=O)NCCCCCCN)c(O)c1	831281728	XVRRTPYTQFMDMS-UHFFFAOYSA-N	295.383	1.719	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1[C@@H]2CCC(=O)[C@H]21	906713696	FEBFJABRFQNTKL-VNQPRFMTSA-N	286.375	1.902	10	20	CDCD	
C[C@@H](NCc1cc(Cl)cc([N+](=O)[O-])c1O)C(=O)O	739030659	BTRATKVEVSISOJ-RXMQYKEDSA-N	274.660	1.517	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(C)(C)NC(=O)O	738402290	NWTHWXOPMIRRRK-UHFFFAOYSA-N	293.367	1.723	10	20	CDCD	
C[C@H](NC(=O)c1cc(O)cs1)c1cnn(C)c1	743503180	PWLMBBOYZIENTR-ZETCQYMHSA-N	251.311	1.678	10	20	CDCD	
Nc1ccc(CCNC(=O)N[C@H]2CCC[C@@H]2CCO)cc1	841883752	ZVWGCIHJNIQPKI-HIFRSBDPSA-N	291.395	1.662	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)[C@@H](N)CCN(C)C	846670599	PPCGEQYXKIWQKO-AWEZNQCLSA-N	293.411	1.410	10	20	CDCD	
CCN(C)c1ccc([C@@H](C)NC[C@@H]2CNC(=O)C2)cc1	840834619	XTJXSUJEEQFRPQ-CHWSQXEVSA-N	275.396	1.929	10	20	CDCD	
CC(=O)c1cc(F)cc(CN(C)[C@H](C)CN)c1O	843350100	KDYHGBBFTBKPHP-MRVPVSSYSA-N	254.305	1.513	10	20	CDCD	
CC(C)OCCC(=O)N(CC(=O)O)Cc1ccccc1O	911486960	RDEQPDAQAQNPGL-UHFFFAOYSA-N	295.335	1.621	10	20	CDCD	
CO[C@@H](CNC(=O)NCCc1ccc(N)cc1)C1CC1	841909360	DMBLULAQYQBHCF-AWEZNQCLSA-N	277.368	1.536	10	20	CDCD	
O=C(NCc1cccc(F)n1)NCc1ccccc1O	748044698	WRBKLPKZAJGTDT-UHFFFAOYSA-N	275.283	1.926	10	20	CDCD	
CC1(C)C[C@@](C)(NC(=O)c2cccc(O)c2O)C(=O)O1	848146497	BYAVWUFWRUVPAR-CQSZACIVSA-N	279.292	1.312	10	20	CDCD	
C[C@H]1CN(Cc2ccc(N3CCOCC3)cc2)CC[C@@H]1N	843052860	WSMMSBBTPOIZII-YOEHRIQHSA-N	289.423	1.692	10	20	CDCD	
OC[C@H](NCc1ccc2c(c1)CCCO2)[C@@H]1CCCOC1	922183904	CKLSZEOORPNVMM-CVEARBPZSA-N	291.391	1.889	10	20	CDCD	
OC1CCN(CCNCc2ccc3c(c2)CCCO3)CC1	922167245	YXXDRKCNSXGYHE-UHFFFAOYSA-N	290.407	1.558	10	20	CDCD	
Cc1ccncc1CC(=O)NCCc1ccc(N)cc1	851632949	ZHEGOQALXCQJOF-UHFFFAOYSA-N	269.348	1.874	10	20	CDCD	
CON(C)C(=O)[C@H](C)NCc1cc(Cl)ccc1O	858319842	IPMNLNJMNFTUKM-QMMMGPOBSA-N	272.732	1.544	10	20	CDCD	
C[C@H](NCCS(C)(=O)=O)c1cc(F)cc(F)c1O	756501321	AGSHFRGCMJMIHF-ZETCQYMHSA-N	279.308	1.366	10	20	CDCD	
CCOC(=O)C1=NN(c2cccc(OC)c2)C(=O)[C@@H]1C	871941392	QDHXXFGVQWJURF-SECBINFHSA-N	276.292	1.597	10	20	CDCD	
CC[C@@H](C(=O)NC[C@H](N)c1ccc(N(C)C)cc1)N(C)C	863584490	DPXSNVZSQDHZNO-GJZGRUSLSA-N	292.427	1.209	10	20	CDCD	
CCOc1ccc(CN(C)CC(C)(CO)CO)c(O)c1	769447665	IYVDSIVGONCFQA-UHFFFAOYSA-N	283.368	1.214	10	20	CDCD	
COc1ccc(CNC(=O)C2CC(OC)C2)c(O)c1	861489451	AVYVKIHAZZTNLN-UHFFFAOYSA-N	265.309	1.442	10	20	CDCD	
C[C@@H](NC[C@H]1COCCN1)c1ccc(N(C)C)cc1	863545273	NBLKOSULXSDCJB-OCCSQVGLSA-N	263.385	1.392	10	20	CDCD	
COC[C@H]1CCN(Cc2cc3c(cc2O)OC[C@H]3O)C1	768446214	LCXPKFKSIRWELT-IINYFYTJSA-N	279.336	1.286	10	20	CDCD	
COc1cc(C)cc(CNCCCn2cncn2)c1O	1119443903	WNZBPSAUBKEWDM-UHFFFAOYSA-N	276.340	1.481	10	20	CDCD	
C[C@@H](NC(=O)[C@H]1CCCNCC1)c1ccccc1O	877255961	LFBOZOWYTFGUJE-NEPJUHHUSA-N	262.353	1.959	10	20	CDCD	
O=C(NCCCSc1nccs1)[C@H]1C[C@@H](O)C1	874464769	IJWHOUSVFUXJOO-DTORHVGOSA-N	272.395	1.512	10	20	CDCD	
Cc1ccc(CNC[C@H]2COC3(CCOCC3)O2)c(O)c1	877141980	OAQHQCPKHOJHMP-AWEZNQCLSA-N	293.363	1.712	10	20	CDCD	
CC(C)OC[C@@H](O)CN[C@H](C)c1ccccc1O	879649164	NESVDIXMSJOMGR-NEPJUHHUSA-N	253.342	1.829	10	20	CDCD	
COC(=O)CCCN(C)C(=O)/C=C/c1ccc(O)c(O)c1	779498324	PWHLNGWDPWEYLL-SOFGYWHQSA-N	293.319	1.523	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNCC[C@H](C)O)c1O	775119414	ROHHHTAYAWLPOP-QMMMGPOBSA-N	270.285	1.170	10	20	CDCD	
COC(=O)C1(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CC1	773014890	MOGLKMLFUZTQLE-NSHDSACASA-N	290.363	1.883	10	20	CDCD	
COCC[C@@]1(NCc2cc(OC)ccc2O)CCOC1	775201063	BMUVKZBGJXJSSJ-OAHLLOKOSA-N	281.352	1.686	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NCCc1ccon1	779533148	AMLKMKBWQDLMLQ-DUXPYHPUSA-N	274.276	1.458	10	20	CDCD	
COCCOC(=O)N[C@H](C)c1cc(OC)ccc1O	885026708	XOLVQBHMIPISTI-SECBINFHSA-N	269.297	1.834	10	20	CDCD	
Cc1ccc(C(=O)OCCOCC(F)F)c(O)c1O	787683325	XEXYYIHNCZYQEP-UHFFFAOYSA-N	276.235	1.845	10	20	CDCD	
O=S(=O)(CC[C@H]1CCCCO1)NCc1ccccc1O	881913681	ROKXPIKTARFINI-CYBMUJFWSA-N	299.392	1.771	10	20	CDCD	
COC[C@H]1CN(C(=O)c2cc(O)cs2)C[C@H](C)O1	784800313	ZMNNCJNJYNMBHB-WCBMZHEXSA-N	271.338	1.330	10	20	CDCD	
COC[C@@H](CCO)N[C@@H](C)c1c(O)cccc1F	886530452	KUQKAPHEMDSXQT-VHSXEESVSA-N	257.305	1.579	10	20	CDCD	
CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	891944965	RNNJQPJUTXYALL-ZDUSSCGKSA-N	264.373	1.284	10	20	CDCD	
Cc1ccc(C(=O)N2CCC(CN(C)C)CC2)c(O)c1O	780938742	DSYSDPUGBAWJJS-UHFFFAOYSA-N	292.379	1.820	10	20	CDCD	
Cc1ccc(CN2CCN(Cc3nc[nH]n3)CC2)c(O)c1	895493630	NOOWDIYPSCZEBD-UHFFFAOYSA-N	287.367	1.137	10	20	CDCD	
COC[C@@](C)(NCc1c(O)ccc(Cl)c1F)C(=O)O	789904217	SMIUPADCERHLHW-GFCCVEGCSA-N	291.706	1.764	10	20	CDCD	
CCN(CC)c1ccc(CN[C@](C)(CO)C(=O)OC)cc1	894977601	YPURAKRFNLRODQ-MRXNPFEDSA-N	294.395	1.546	10	20	CDCD	
COc1cc(C)cc(CNCCCCCO)c1O	894595161	AORCABPXYRADOE-UHFFFAOYSA-N	253.342	1.961	10	20	CDCD	
CCn1cccc(CNC(=O)c2cccc(O)c2O)c1=O	790082243	BOIRQNGVTOWAOA-UHFFFAOYSA-N	288.303	1.209	10	20	CDCD	
COc1ccc(O)c(CN[C@H](C)c2nc(C)no2)c1	792176730	JXGSOAYOPZVPBH-MRVPVSSYSA-N	263.297	1.943	10	20	CDCD	
C[C@H](NC(=O)c1csc(CN)n1)c1ccccc1O	1579483139	LGJKIYBMCWUNKS-QMMMGPOBSA-N	277.349	1.798	10	20	CDCD	
COC[C@H]1C[C@@H](O)CN1Cc1cc(Cl)c(C)cc1O	1327890240	CWHJSSXARDKOPX-VXGBXAGGSA-N	285.771	1.936	10	20	CDCD	
CC[C@H](NCc1ccc([N+](=O)[O-])c(OC)c1O)C(=O)O	1326992080	YZJXYAIPZGQBSS-QMMMGPOBSA-N	284.268	1.262	10	20	CDCD	
CCOc1cccc(CNC[C@H]2C[C@H](O)C2)c1O	720985231	JQABXZIILAGGGZ-UMSPYCQHSA-N	251.326	1.651	10	20	CDCD	
CCOC(=O)[C@H](C)NCc1c(O)cccc1OC	763277300	KINABWJKQORYIQ-VIFPVBQESA-N	253.298	1.442	10	20	CDCD	
CCOc1cccc(CN2CCO[C@@H](COC)C2)c1O	93528612	RTXMIUBRZOCBBS-CYBMUJFWSA-N	281.352	1.638	10	20	CDCD	
C[C@@H]1O[C@H](C)C[C@H]1NC(=O)NCc1ccc(N)cc1	1336238539	FLLGFWCMUIMWJQ-GBIKHYSHSA-N	263.341	1.634	10	20	CDCD	
C[C@@H]1CN(C(=O)C(=O)NCCc2ccc(N)cc2)C[C@H]1C	1345198522	RZRORVFWQOFTSR-VXGBXAGGSA-N	289.379	1.042	10	20	CDCD	
Nc1ccc(CNC(=O)N2CC[C@@H]3OCCC[C@@H]3C2)cc1	1262603898	YMFOFQWAVLEULA-HIFRSBDPSA-N	289.379	1.979	10	20	CDCD	
CN1C[C@H](C(=O)Nc2c(Cl)ccc3nonc23)CC1=O	1346940896	KWSIXIZSSHWZGC-ZCFIWIBFSA-N	294.698	1.293	10	20	CDCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NC[C@@H]1COCCN1	1351678889	HYPWVRQXQPSKBH-UPJWGTAASA-N	276.380	1.827	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1C[C@H](O)C[C@H]1C(=O)O	1600236797	MJQILMCFFDMZCN-KGLIPLIRSA-N	278.352	1.081	10	20	CDCD	
O=C1CC[C@@H](CSc2ncc(C(=O)O)s2)CCN1	1609035241	CAVMXJDNOHPKHO-SSDOTTSWSA-N	286.378	1.850	10	20	CDCD	
O=C(O)[C@H](Cc1ccncc1)NCc1cc(F)ccc1O	1605904108	RADQZIHVGWAXAQ-ZDUSSCGKSA-N	290.294	1.712	10	20	CDCD	
CN(C)c1ccc(CN2CCC[C@H](O)[C@@H]2C(=O)O)cc1	1610105554	WCANWRVKUCGKHX-UONOGXRCSA-N	278.352	1.163	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@H]2CCCNC2)cc1F	166457025	ALDLNHCJGIGFJW-LBPRGKRZSA-N	279.359	1.508	10	20	CDCD	
CC(C)N(C)C[C@H](O)CN(C)Cc1ccccc1O	821392194	VKAHNUVTFVRJLV-CQSZACIVSA-N	266.385	1.525	10	20	CDCD	
CN1CCCc2cc([C@H](CN)N3CCOCC3)ccc21	34936239	XIOLFPXYYHESOR-INIZCTEOSA-N	275.396	1.401	10	20	CDCD	
C[C@@H](CCS(C)(=O)=O)N[C@@H]1CCc2cccc(O)c21	834623943	CLLFXOJVKDAADT-CMPLNLGQSA-N	283.393	1.792	10	20	CDCD	
Cc1nn(C)cc1C(=O)N(C)Cc1ccccc1O	113418718	AFOQCLLNSVJGAI-UHFFFAOYSA-N	259.309	1.706	10	20	CDCD	
NC(=O)CN(C(=O)Cc1ccc(N)cc1)C1CCCC1	37813884	FSGOMRNOAOMEIS-UHFFFAOYSA-N	275.352	1.068	10	20	CDCD	
CN(C(=O)c1cccc(O)c1O)[C@H]1CCCOC1	401325732	AMWGGWFAEHLVBD-VIFPVBQESA-N	251.282	1.349	10	20	CDCD	
CCn1cc(CN[C@H]2CCc3cccc(O)c32)nn1	404428040	FOOZVJJIIJMZNP-LBPRGKRZSA-N	258.325	1.781	10	20	CDCD	
CCN1C[C@H](NCc2cccc(Cl)c2O)CC1=O	391532716	KOCPKWYDNXAECX-SNVBAGLBSA-N	268.744	1.756	10	20	CDCD	
CC(=O)NCC(=O)NCc1c(O)ccc2c1CCCC2	174520389	QJFLGAYDLPNKOG-UHFFFAOYSA-N	276.336	1.023	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)c2cn[nH]c2C)c1	172328011	XNFUSQRKZDIOQE-QMMMGPOBSA-N	275.308	1.923	10	20	CDCD	
CC(C)[C@H]1CNCCN1C(=O)NCc1ccc(N)cc1	1353532398	ZLLYKBRURCAYDK-CQSZACIVSA-N	276.384	1.408	10	20	CDCD	
O=C(O)C[C@H]1COCCN1Cc1cc(Cl)ccc1O	128743490	HKZXKLMGSSUFPD-NSHDSACASA-N	285.727	1.721	10	20	CDCD	
CCC[C@@](C)(O)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	186442335	RMAHPUWLHLBMFW-ZUZCIYMTSA-N	281.352	1.696	10	20	CDCD	
CCCn1cc(C(=O)NCCc2ccc(O)c(O)c2)cn1	183285594	VMDHDTDMSRABGD-UHFFFAOYSA-N	289.335	1.677	10	20	CDCD	
CC(C)NC(=O)CNCc1cccc(Cl)c1O	124640964	NJLVATKAENJSEH-UHFFFAOYSA-N	256.733	1.660	10	20	CDCD	
CCOc1cccc(CN2CCC[C@H]2C(=O)N(C)C)c1O	122654740	UPKPHKKTZWWONP-ZDUSSCGKSA-N	292.379	1.844	10	20	CDCD	
CC(C)(C(=O)Nc1ccc(N)cc1)S(C)(=O)=O	70127275	JWBUSNCKPWFCFF-UHFFFAOYSA-N	256.327	1.031	10	20	CDCD	
COc1cccc(CN2CCC(C)(CO)CC2)c1O	184075111	JOGXTMQYQOJTOP-UHFFFAOYSA-N	265.353	1.995	10	20	CDCD	
COC[C@H](CCO)NCc1ccc(N2CCOCC2)cc1	219117958	WNMBHOMNUIBYCL-HNNXBMFYSA-N	294.395	1.010	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)C1(N(C)C)CC1	611658113	QIEZUAPJOHHXOP-UHFFFAOYSA-N	289.379	1.572	10	20	CDCD	
CN(Cc1ncnn1CCF)c1ccc2c(c1)OCO2	281574345	FIJYYMKPKVNSPJ-UHFFFAOYSA-N	278.287	1.613	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@H](O)C(C)C)c1	802781889	IEWNDOYCTVJVFL-NOZJJQNGSA-N	267.325	1.595	10	20	CDCD	
COC[C@]1(C)CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1	296394681	IZSOTFIWEMMVED-MQDFFIGUSA-N	291.347	1.996	10	20	CDCD	
CC(=O)C(=O)COc1c(Cl)cncc1[N+](=O)[O-]	808042283	JHRKOHAPRJQOJA-UHFFFAOYSA-N	258.617	1.180	10	20	CDCD	
CC(=O)N[C@@H]1CCN(Cc2cc(C)c(C)cc2O)C1	817366490	TWGQXPAIGSVALC-CQSZACIVSA-N	262.353	1.719	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC[C@@H]2C[C@H](F)CN2)c1	817975731	AHBFNURRFQJXGA-DCAQKATOSA-N	268.332	1.751	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)COc1cccnc1	728068807	HPVJDOJGEPZUAP-UHFFFAOYSA-N	272.304	1.825	10	20	CDCD	
CCOC(=O)CN(CC[S@@](C)=O)Cc1ccccc1O	823576736	WWUNKPSQSXHNNS-HXUWFJFHSA-N	299.392	1.136	10	20	CDCD	
CC[C@H](O)[C@H](C)C(=O)NCc1cc(OC)ccc1O	901130360	HVLZPFLGHAUDDJ-CABZTGNLSA-N	267.325	1.424	10	20	CDCD	
COc1ccc(O)c(CNC(=O)CCn2ccnc2)c1	734016459	SUWDHYMHWMWXSJ-UHFFFAOYSA-N	275.308	1.304	10	20	CDCD	
CCOc1cccc(CN(CCOC)CCC(=O)O)c1O	904269588	LUDCHTFDMOERHK-UHFFFAOYSA-N	297.351	1.714	10	20	CDCD	
C[C@H](NC(=O)O)C(=O)NCc1ccc2c(c1)CCCN2C	833739664	NHTLGJCPCUQWTG-JTQLQIEISA-N	291.351	1.341	10	20	CDCD	
CC[C@@H](N)C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1	831754056	UBMGSBVINUZHNE-SWLSCSKDSA-N	291.395	1.375	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N1C[C@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1	836842534	YIQRFHIZHOTALT-DISJFPEUSA-N	299.326	1.523	10	20	CDCD	
COCCNC(=O)C1(NCc2cccc(Cl)c2O)CC1	839193848	WQWUSRHIOUIRGB-UHFFFAOYSA-N	298.770	1.430	10	20	CDCD	
COc1cccc([C@H](C)NCCN2CCO[C@H](C)C2)c1O	846146613	RHTACKLGGFLRGU-OLZOCXBDSA-N	294.395	1.772	10	20	CDCD	
COc1ccc(N2CC[C@H](CN=c3nc[nH]n3C)C2)cc1	846752623	SZDMPEKUZVENCQ-GFCCVEGCSA-N	287.367	1.184	10	20	CDCD	
CCN(CC)c1ccc(CN2CCN(C)C[C@H]2CN)cc1	843120340	GHZFTRQPTXCEFJ-QGZVFWFLSA-N	290.455	1.608	10	20	CDCD	
C[C@@H]1C[C@H](CN)CN1Cc1cc2c(cc1O)OCO2	843058248	QJKKQLMXPUFACJ-NXEZZACHSA-N	264.325	1.290	10	20	CDCD	
COc1cccc([C@@H](C)N[C@@H]2CCN(C)C2)c1O	846143214	CTPXOLGUWCCVMB-GHMZBOCLSA-N	250.342	1.756	10	20	CDCD	
C[C@@H]1CCCN1Cc1cc(O)n2ncc(C(=O)O)c2n1	846246757	RPKHWVHIEMLEAA-MRVPVSSYSA-N	276.296	1.117	10	20	CDCD	
Oc1ccc(Br)cc1CN[C@H]1[C@@H]2CNC[C@@H]21	841077830	NNHVWFPFEMMQFE-IAZYJMLFSA-N	283.169	1.462	10	20	CDCD	
COc1ccc(CNC(=O)c2cnc3n2CCC3)c(O)c1	846948782	APXGQOICXDFEGZ-UHFFFAOYSA-N	287.319	1.474	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNc1cnn(CCO)c1	840937379	SCHPUQTZNBJMGZ-UHFFFAOYSA-N	274.368	1.862	10	20	CDCD	
CN[C@H]1CCN(C(=O)NCc2ccc(N(C)C)cc2C)C1	841827372	MVHFINLDOJIOFG-AWEZNQCLSA-N	290.411	1.564	10	20	CDCD	
C[C@@H](NC[C@]1(O)CCOC1)c1cc(F)cc(F)c1O	756768375	DEIXCOOVIVZLKU-AMIZOPFISA-N	273.279	1.472	10	20	CDCD	
CC[C@@](C)(O)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	935312774	YWFXGARYFJKZKK-YMTOWFKASA-N	267.325	1.306	10	20	CDCD	
CC(=O)c1cc(O)ccc1NS(=O)(=O)C1CC1	766048986	YKONHFKFQOFSRF-UHFFFAOYSA-N	255.295	1.499	10	20	CDCD	
CN(Cc1cc2c(cc1O)OC[C@@H]2O)C[C@H]1CCCOC1	768453585	ZCLPKCMGFKVOBJ-ABAIWWIYSA-N	293.363	1.676	10	20	CDCD	
c1cc(N2CCOCC2)ccc1CN1C[C@@H]2C[C@H]2C1	862441236	PUMGYSCQSIXYDP-GJZGRUSLSA-N	258.365	1.975	10	20	CDCD	
O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1NC[C@@H]2C[C@@H]21	1119005744	PWTVEIFMALIDNP-CWRNSKLLSA-N	285.391	1.511	10	20	CDCD	
COCCO[C@@H]1COCC[C@H]1NCc1ccc(C)cc1O	877424332	JAWMVDVEXPXNBG-GDBMZVCRSA-N	295.379	1.611	10	20	CDCD	
C[S@](=O)CCNCc1ccc(N2CCC(O)CC2)cc1	877050799	FCGYEUVLMWJPGR-FQEVSTJZSA-N	296.436	1.116	10	20	CDCD	
COCCCNC(=O)[C@@H](C)N[C@H](C)c1ccccc1O	879648872	FKMYJCDJYIBMAG-VXGBXAGGSA-N	280.368	1.584	10	20	CDCD	
Cc1ccc(CNC[C@@H]2CC[C@@H](C(=O)N(C)C)O2)c(O)c1	877129339	BTZYTCAVBHGEHR-ZFWWWQNUSA-N	292.379	1.426	10	20	CDCD	
CC(C)CNC(=O)COC(=O)/C=C/c1ccc(O)c(O)c1	772773788	FAOKXSXJKGUUNA-GQCTYLIASA-N	293.319	1.426	10	20	CDCD	
CC(=O)N1C[C@H]2CN(C(=O)c3cc(O)cs3)C[C@H]2C1	881691962	QXVSAGQUXVXTEH-AOOOYVTPSA-N	280.349	1.004	10	20	CDCD	
CCNC(=O)NCc1ccc(N2CCN(C)CC2)cc1	882662801	MISYOOCXRIDEMT-UHFFFAOYSA-N	276.384	1.258	10	20	CDCD	
C[C@H](C[S@@](C)=O)N[C@H](C)c1c(O)cccc1F	886587786	FOAIUODHLJDSRU-CGMALJKESA-N	259.346	1.949	10	20	CDCD	
C[C@H](NC(=O)N1C[C@H](O)C[C@@H]1C)c1ccc(N(C)C)cc1	788320472	QMJXQWJLWOXTPC-SLEUVZQESA-N	291.395	1.978	10	20	CDCD	
O=C(CCc1ccc(O)nc1)NCc1ccccc1O	787446952	UNJGPSWFSLSQJN-UHFFFAOYSA-N	272.304	1.742	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)OCCOCC(F)F	787747726	JTOSSLKNMYIVBD-RQOWECAXSA-N	288.246	1.936	10	20	CDCD	
COc1ccc(/C=C2/SC(=S)N(C)C2=O)cn1	780144143	ULTQOQNCVNUQPX-VMPITWQZSA-N	266.347	1.921	10	20	CDCD	
COc1cc(C)cc(CN2CCn3ncnc3C2)c1O	894482406	DVINIEPDNXUPRM-UHFFFAOYSA-N	274.324	1.317	10	20	CDCD	
CCOc1ccc(CN2C[C@H]3[C@@H](O)CC[C@H]3C2)c(O)c1	895785597	WIABGDLMUGRIAC-GLQYFDAESA-N	277.364	1.994	10	20	CDCD	
CCN1CCC[C@H]1CNCc1ccc(OC)c(OC)c1O	892413283	FVTITFBUHXPQDR-ZDUSSCGKSA-N	294.395	1.983	10	20	CDCD	
COc1cc(C)cc(CNC[C@@H](C)CCO)c1O	894309401	JTFZEGVJMCBVHZ-JTQLQIEISA-N	253.342	1.817	10	20	CDCD	
CC[C@H](C)[C@@H](OC)C(=O)NCCc1ccc(O)c(O)c1	793681294	NQGIDEDMYBYDRB-IINYFYTJSA-N	281.352	1.818	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N1CCn2cncc2C1	793514636	GJMLKYYLTZAKHU-RQOWECAXSA-N	285.303	1.350	10	20	CDCD	
Cn1cnc(CNCc2cc(F)cc(F)c2O)c1	898042630	UUYLVHZJOMQESF-UHFFFAOYSA-N	253.252	1.694	10	20	CDCD	
COc1cccc(CN(C)C[C@@H](C)C(=O)O)c1O	86807364	CAJJJKXVSIJOBJ-SECBINFHSA-N	253.298	1.553	10	20	CDCD	
Cc1ccc(C(=O)NCCN2CC[C@@H](C)C2)c(O)c1O	1320202846	MRGFAQWKDAVULI-SNVBAGLBSA-N	278.352	1.478	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CCSC[C@@H]1CO	1335848211	WXLWDSAPTLWIKA-FWEMWIAWSA-N	295.360	1.047	10	20	CDCD	
Cc1nnc(CN[C@@H](C)c2c(O)cccc2F)n1C	1333467855	SYQTWEGPOXPDGQ-QMMMGPOBSA-N	264.304	1.819	10	20	CDCD	
COc1ccc(N(C)CCN(C)C(=O)[C@H]2C[C@H]2F)cc1	1338213041	FJYIUTNMBSTUOY-UONOGXRCSA-N	280.343	1.948	10	20	CDCD	
O=C(O)[C@@H]1C[C@@H](O)CN(Cc2cc(Cl)ccc2O)C1	1601770483	XDSQBUVOSSYXNU-MWLCHTKSSA-N	285.727	1.313	10	20	CDCD	
O=C(O)c1ccc(C(=O)NCc2c(O)cccc2O)nc1	1602323981	VUWXGASKKUMZMK-UHFFFAOYSA-N	288.259	1.121	10	20	CDCD	
CO[C@@]1(C(=O)O)CCN(Cc2cc(C)cc(C)c2O)C1	1599078230	AUUFHCIXSLFETR-HNNXBMFYSA-N	279.336	1.685	10	20	CDCD	
O=C(O)[C@]1(C(=O)NCc2cccc(Cl)c2O)CCCO1	1594863357	NNJVHNGXBSCRQQ-CYBMUJFWSA-N	299.710	1.296	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@H]2CC[C@@H](C(=O)O)C2)c1	1599598134	FKPBVLWWAYZTPE-VHSXEESVSA-N	293.319	1.518	10	20	CDCD	
COc1ccc(N2CCCN(C(=O)[C@H](C)N)CC2)cc1	165750987	SNJPVWXPOOXZHS-LBPRGKRZSA-N	277.368	1.081	10	20	CDCD	
O=C(Cc1n[nH]c2ccccc12)NCc1ccc(O)c(O)c1	159097275	ZLMOHVUUFXQQGX-UHFFFAOYSA-N	297.314	1.833	10	20	CDCD	
CSC[C@H](C)C(=O)NCc1ccc(O)c(O)c1	159099818	STNQIKZAHZBZBG-QMMMGPOBSA-N	255.339	1.713	10	20	CDCD	
Cc1cccc(CNC[C@@H]2CCCCS2(=O)=O)c1O	694514338	GUFOFJXKSKBJGF-ZDUSSCGKSA-N	283.393	1.758	10	20	CDCD	
Cc1cc(O)c(CN2CCC[C@@H](OCCO)C2)cc1C	179573902	XLHWHRMZUGUVFS-OAHLLOKOSA-N	279.380	1.982	10	20	CDCD	
CCN(CC(N)=O)Cc1ccc(N2CCCCC2)cc1	188065923	VTIMKDSZNFCJIF-UHFFFAOYSA-N	275.396	1.984	10	20	CDCD	
CC(C)(C)N1C[C@@H](NC(=O)Nc2ccc(N)cc2)CC1=O	217285444	HLFGPZFKHKYYKH-LBPRGKRZSA-N	290.367	1.790	10	20	CDCD	
COc1cccc(CNC(=O)N[C@H]2CCSC2)c1O	74821724	JYNFVQKMRJACGT-JTQLQIEISA-N	282.365	1.706	10	20	CDCD	
Cc1cccc(CNC[C@]2(O)CCO[C@H]2C)c1O	228094688	PQGPFXGZAAQNJY-SMDDNHRTSA-N	251.326	1.330	10	20	CDCD	
COc1ccc(O)c(CNC(=O)C(=O)c2ccccc2)c1	194477668	LNAFEKOVLMWDCC-UHFFFAOYSA-N	285.299	1.900	10	20	CDCD	
C[C@@H](CN1CCOCC1)N(C)Cc1ccccc1O	91619352	LRBACASTEUWWHF-ZDUSSCGKSA-N	264.369	1.545	10	20	CDCD	
CC[C@H](NC[C@@H]1COCCN1)c1ccc(C)cc1O	530222524	FZOPDYZHXIIFOK-OCCSQVGLSA-N	264.369	1.730	10	20	CDCD	
CN1CCCc2cc(CNC(=O)c3cocn3)ccc21	264205975	QPSZTWYHABIRRD-UHFFFAOYSA-N	271.320	1.987	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CCO[C@@H]2CCC[C@@H]21	272480798	QPQSUEHXMUKYBK-SPYVTISKSA-N	289.331	1.891	10	20	CDCD	
CCOC1CC(O)(CN[C@H](C)c2cc(OC)ccc2O)C1	278460523	MMQJMICFDIJKDB-FFKNIBCLSA-N	295.379	1.981	10	20	CDCD	
OC[C@]1(F)CCCN(Cc2cc(F)ccc2O)C1	289901016	UJVYQTTZHIXOKM-ZDUSSCGKSA-N	257.280	1.828	10	20	CDCD	
Cn1cc(C[C@@H]2CCN(C(=O)Cc3ccc(N)cc3)C2)cn1	370778528	FWJVSTXAAJWPCC-AWEZNQCLSA-N	298.390	1.636	10	20	CDCD	
CC(=O)C(=O)COc1ccc2c(c1F)CCC2=O	289617945	LIZZHTJVFBLBFI-UHFFFAOYSA-N	250.225	1.492	10	20	CDCD	
CN(C)C1CN(c2ccc(/C=C/C(=O)O)cc2[N+](=O)[O-])C1	382760212	QRSLDPXUSWQIMF-GQCTYLIASA-N	291.307	1.443	10	20	CDCD	
CO[C@H](C)CN(C)C(=O)/C=C/c1ccc(O)c(O)c1	286201306	ASFWVYHGKOUDAS-BREXMAIKSA-N	265.309	1.604	10	20	CDCD	
CN1C[C@@H](NCc2ccc(N3CCCCC3)cc2)CC1=O	387315051	RGAGSWFQZMMQOW-HNNXBMFYSA-N	287.407	1.997	10	20	CDCD	
Cc1cnc(COCC(=O)NCc2ccccc2O)o1	802776939	CDFISDXKVPGJOK-UHFFFAOYSA-N	276.292	1.522	10	20	CDCD	
COc1ccc(O)c(CNS(=O)(=O)CCCCF)c1	805013384	UMWMAJAOMJHHFW-UHFFFAOYSA-N	291.344	1.570	10	20	CDCD	
Cc1ccc(C(=O)N(C)CC(C)(C)CO)c(O)c1O	296208643	NBWFGBRNWZDPBB-UHFFFAOYSA-N	267.325	1.497	10	20	CDCD	
C[C@H](NC(=O)c1c(F)ccc(O)c1O)[C@H]1CCOC1	295012516	PZBJPZJFYSWXCI-YUMQZZPRSA-N	269.272	1.392	10	20	CDCD	
CO[C@H]1COC[C@@H]1NCc1cc(Cl)c(F)cc1O	293857242	ICYYIBOSHVYWOS-JQWIXIFHSA-N	275.707	1.688	10	20	CDCD	
COC[C@@H](C)[C@H](C)C(=O)NCCc1ccc(O)c(O)c1	812536364	ZHRODDWLUBYGGA-MNOVXSKESA-N	281.352	1.675	10	20	CDCD	
C[C@@H](NC(=O)c1ncn(C)n1)c1ccc(N(C)C)cc1	810687711	WNEZBESMPLVINP-SNVBAGLBSA-N	273.340	1.372	10	20	CDCD	
Oc1cc2c(cc1CN1CC[C@@H]3OCC[C@@H]3C1)OCO2	724813442	CALHUABVECFQAF-MFKMUULPSA-N	277.320	1.732	10	20	CDCD	
CCOc1ccc(CN[C@H](C(=O)O)C(C)C)c(O)c1	820387414	OSVRSVJVVHKIJR-ZDUSSCGKSA-N	267.325	1.990	10	20	CDCD	
CCN1C[C@H](NCc2cc(C)c(C)cc2O)CC1=O	824886732	JXYWENDSOAAFHH-CYBMUJFWSA-N	262.353	1.719	10	20	CDCD	
Nc1ccc(CC(=O)NCCCNc2ncccn2)cc1	827214401	CIQLPLIIZKXUSC-UHFFFAOYSA-N	285.351	1.220	10	20	CDCD	
C[C@@H](NC(=O)CCCS(C)(=O)=O)c1ccccc1O	827937337	SJOAZMJUIOBZOH-SNVBAGLBSA-N	285.365	1.394	10	20	CDCD	
C[C@@H](NCc1ccc2c(c1)CCO2)c1cnnn1C	822273280	DHMMRTUUUQUNGS-SNVBAGLBSA-N	258.325	1.601	10	20	CDCD	
COc1cccc(CNC(=O)N[C@H](C)C[C@H](C)N)c1O	831212895	XVUCLDGRKXQTHB-VHSXEESVSA-N	281.356	1.326	10	20	CDCD	
COc1cc(O)c(CN(CC(=O)O)C2CC2)cc1OC	833730118	WNAUHXHIWCTYKO-UHFFFAOYSA-N	281.308	1.458	10	20	CDCD	
CO[C@@]1(CNCc2ccc(N(C)C)cc2C)CCOC1	840939737	PESLEKGQGINMRZ-MRXNPFEDSA-N	278.396	1.956	10	20	CDCD	
CC[C@@H](C)C[C@H](CO)NC(=O)c1ccc(C)c(O)c1O	844030895	AAIWCIAPXPUAGF-MWLCHTKSSA-N	281.352	1.933	10	20	CDCD	
CCOc1ccc(CN2C[C@H](C)NC[C@H]2C)c(O)c1	843119939	PIWLZBFBCCSSBN-NWDGAFQWSA-N	264.369	1.973	10	20	CDCD	
CN(CCN)Cc1cc(Cl)cc([N+](=O)[O-])c1O	841099989	REGCDPUBTYKCNA-UHFFFAOYSA-N	259.693	1.344	10	20	CDCD	
CCNC(=O)N1CCN(Cc2cccc(CC)c2O)CC1	848879919	HMAAIGOQVFUHEE-UHFFFAOYSA-N	291.395	1.802	10	20	CDCD	
CNC(=O)[C@@H]1CCC[C@H]1N[C@@H](C)c1cccc(OC)c1O	846158291	WKNHJPMYWTZJKU-CYZMBNFOSA-N	292.379	1.966	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC[C@@H](O)c1cnn(C)c1	840935028	BQWFWPPTTJNSPU-MRXNPFEDSA-N	288.395	1.618	10	20	CDCD	
COCCN(CC(=O)OC)Cc1ccc(N(C)C)cc1C	840914579	CDRFFTXFFYTALZ-UHFFFAOYSA-N	294.395	1.682	10	20	CDCD	
COc1cccc([C@@H](C)N[C@@H]2COC[C@H]2OC)c1O	846171171	DZPXBTPJLHDGOO-IRUJWGPZSA-N	267.325	1.465	10	20	CDCD	
CCc1cccc(CN2C[C@H](O)C[C@@H](C(=O)OC)C2)c1O	848919864	UAHCCJZVTOPGPB-ZIAGYGMSSA-N	293.363	1.310	10	20	CDCD	
CN(C)c1ccc(CN2CCC[C@@H](N)C2)cc1F	843043855	LUGJXAFCMMDEBQ-GFCCVEGCSA-N	251.349	1.815	10	20	CDCD	
O=C(N[C@H](CO)Cc1ccc(O)cc1)c1cc(O)cs1	757672555	UTGGEPXSQPWXON-JTQLQIEISA-N	293.344	1.493	10	20	CDCD	
COc1cccc(CNC(=O)N[C@H]2COC[C@H]2C)c1O	926005236	XKSAAHSPOMXVRN-KOLCDFICSA-N	280.324	1.235	10	20	CDCD	
C[C@@H]1[C@@H](N(C)C)CCN1C(=O)/C=C\c1ccc(O)c(O)c1	854654199	JKLVQQVVSKXKNL-QGSKFPASSA-N	290.363	1.662	10	20	CDCD	
COC1CCN(Cc2cn(-c3ccc(N)cc3)nn2)CC1	864620530	QZWVAQCPQPQTGK-UHFFFAOYSA-N	287.367	1.460	10	20	CDCD	
CC(=O)N1CC[C@](C)(C(=O)NCc2cc(C)ccc2O)C1	862758265	VCRIJUJZRWQBKU-INIZCTEOSA-N	290.363	1.575	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)C[C@H]2CCCC(=O)N2)c1	862755370	FUZMIUBVJGLPHM-GFCCVEGCSA-N	276.336	1.376	10	20	CDCD	
C[C@@H]1C(=O)N(C)CCN1Cc1cc(F)c(N(C)C)cc1F	862333495	SHMRQYHHKSMADW-SNVBAGLBSA-N	297.349	1.693	10	20	CDCD	
CCOC(=O)[C@@H](C)NCc1ccc(N(C)C)c(F)c1	763273388	XQTCOPZRNNEWKR-SNVBAGLBSA-N	268.332	1.933	10	20	CDCD	
CC(=O)N1CCN(Cc2cc(F)c(N(C)C)cc2F)CC1	862211807	LOIZWQOVKQGHHN-UHFFFAOYSA-N	297.349	1.695	10	20	CDCD	
CCCN1CCCC[C@H]1C(=O)NCc1ccc(O)cc1O	1119649358	XIRBXMZOWHYEFO-AWEZNQCLSA-N	292.379	1.979	10	20	CDCD	
Cc1ccc(CN(C)[C@H]2CCS(=O)(=O)C2)c(O)c1	876524239	NJROZEBRGDNYRZ-LBPRGKRZSA-N	269.366	1.320	10	20	CDCD	
Cc1ccc(CN[C@H]2CCc3c(nnn3C)C2)c(O)c1	877618149	JBYKBSWKIRDJGB-LBPRGKRZSA-N	272.352	1.476	10	20	CDCD	
CCC1(CNCc2cc([N+](=O)[O-])ccc2O)COC1	776174186	BZTGTYYIWSQKAB-UHFFFAOYSA-N	266.297	1.817	10	20	CDCD	
C[C@@H](CCO)NCc1ccc(N2CCN(C)CC2)cc1	776209409	VOLNOQQNMOHZBJ-AWEZNQCLSA-N	277.412	1.299	10	20	CDCD	
COc1ccc2c(c1)CCCN2Cc1nc(O)n[nH]1	774545814	HGXRSQOTBXFCMH-UHFFFAOYSA-N	260.297	1.472	10	20	CDCD	
CCO[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1	885338721	JIZKTIVYKBUKGM-FUEXJSSKSA-N	277.320	1.748	10	20	CDCD	
CCOc1cccc(CN2CC(=O)N(C)C[C@H]2C)c1O	783729055	LVOVRARILYGKPB-LLVKDONJSA-N	278.352	1.453	10	20	CDCD	
Cc1ccc(C(=O)NC[C@H](O)CC(C)C)c(O)c1O	780971975	UFYBAVVYRKVMCL-SNVBAGLBSA-N	267.325	1.543	10	20	CDCD	
COc1ccc(CN(C)Cc2nc(C)no2)c(O)c1OC	895231760	PIMWOBUKESIQPE-UHFFFAOYSA-N	293.323	1.733	10	20	CDCD	
COc1ccc(CNC(=O)COC2CCCC2)c(O)c1	794383967	USZKECRKOMJWMW-UHFFFAOYSA-N	279.336	1.976	10	20	CDCD	
CCOC(=O)[C@H]1CNCCN1Cc1cc(C)c(C)cc1O	1326990133	DDZMUIOPHXYEEB-CQSZACIVSA-N	292.379	1.346	10	20	CDCD	
CCN(CC(C)C)C(=O)C(=O)NCCc1ccc(N)cc1	1325746272	QDHBTXJYQOIDLY-UHFFFAOYSA-N	291.395	1.432	10	20	CDCD	
CN1C[C@H](COC(=O)c2cc(O)cs2)OC1=O	1324491711	NGTQYXNUMCWZFG-SSDOTTSWSA-N	257.267	1.061	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1NCC1(C)C	710100595	AZLQOIJALPODSX-CQSZACIVSA-N	275.396	1.709	10	20	CDCD	
CCCN(CC(C)(C)O)C(=O)c1cccc(O)c1O	690946665	YBNCASWQMUAIIR-UHFFFAOYSA-N	267.325	1.721	10	20	CDCD	
Cc1ccc(O)c([C@H](C)NCc2nnnn2C2CC2)c1	756733183	PCZHFBHDFLPMJU-JTQLQIEISA-N	273.340	1.873	10	20	CDCD	
CCc1cc(C(=O)NCc2ccccc2O)nn1C	1191655969	XTQKMUAQGQXOOO-UHFFFAOYSA-N	259.309	1.618	10	20	CDCD	
C[C@@H](O)[C@H]1CCCN(C(=O)NCc2ccc(N)cc2)C1	1346738732	JXUDAKWTDNKXQF-YPMHNXCESA-N	277.368	1.571	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1C[C@@H]1F	1348212300	KCKAQBVBNOBPIA-JEZHCXPESA-N	253.273	1.503	10	20	CDCD	
C[C@H]1CC[C@H](CNC(=O)NCc2ccc(N)cc2)O1	1357434381	JEVWVOAFTDMTOB-GXFFZTMASA-N	263.341	1.636	10	20	CDCD	
CC[C@@H](O)CCN[C@H](C)c1cccc(-c2nn[nH]n2)c1O	1604067149	VCYMWRBYXJIHNE-NXEZZACHSA-N	291.355	1.384	10	20	CDCD	
Cc1ccc(O)c(CN(CC(=O)O)C2CCOCC2)c1	1607810941	BYYMHYOFUFTYJI-UHFFFAOYSA-N	279.336	1.766	10	20	CDCD	
CCC1(O)CN(c2cc(OC)c(OC)cc2[N+](=O)[O-])C1	214154976	LNRLAKNSSHEPOK-UHFFFAOYSA-N	282.296	1.573	10	20	CDCD	
CN(CCC1OCCCO1)c1ccc(OCC(=O)O)cc1	1598471972	HBMLVPWHVYAWIW-UHFFFAOYSA-N	295.335	1.739	10	20	CDCD	
CN(C)c1ccc(CN2C[C@@H](C(=O)O)OCC2(C)C)cc1	1777039375	MFOCNVIJGKPLGV-AWEZNQCLSA-N	292.379	1.817	10	20	CDCD	
COc1cccc(CNS(=O)(=O)CCCF)c1O	161097667	VUHSABCAEMHYFJ-UHFFFAOYSA-N	277.317	1.180	10	20	CDCD	
CC1(C)[C@@H](NC(=O)Cc2ccc(N)cc2)[C@H]2CCO[C@@H]21	159540384	CRWQJEYYLGSQDS-SNPRPXQTSA-N	274.364	1.741	10	20	CDCD	
O=C1NCCC[C@@H]1CNCc1cc(F)ccc1O	839195604	LLNVVTODQJVMNP-SECBINFHSA-N	252.289	1.147	10	20	CDCD	
CCO[C@H]1C[C@@H](NCc2cc3c(cc2O)OCO3)C1	839147785	RHGJGHPPDOLLAZ-PHIMTYICSA-N	265.309	1.778	10	20	CDCD	
CC(C)CCOCCNC(=O)Cc1ccc(N)cc1	45093631	AFTYZWXUYHZYLV-UHFFFAOYSA-N	264.369	1.990	10	20	CDCD	
Oc1c(F)cc(F)cc1CNCCN1CCSCC1	708559779	URFAMAAQCUKMBN-UHFFFAOYSA-N	288.363	1.809	10	20	CDCD	
C1=CCN(c2ccc(CNc3ccc4nnnn4n3)cc2)C1	301382860	ZNNKJQHESMICPF-UHFFFAOYSA-N	293.334	1.508	10	20	CDCD	
COc1cccc(CNC(=O)NC2CCN(C)CC2)c1O	173389952	QLTLCYRRPCMCCC-UHFFFAOYSA-N	293.367	1.294	10	20	CDCD	
CCOc1cccc(CN2CC[C@H]([C@@H](C)O)C2)c1O	180851462	YLSPQQVSTZXOFB-NEPJUHHUSA-N	265.353	1.994	10	20	CDCD	
COC(=O)C1(CNCc2cccc(OC)c2O)CC1	188668960	ZIXVGZYFRSIBGQ-UHFFFAOYSA-N	265.309	1.444	10	20	CDCD	
C[C@H]1NC(=S)N(Cc2ccc(N3CCCC3)cc2)C1=O	30920417	MHPBSWMOEHEJSB-LLVKDONJSA-N	289.404	1.892	10	20	CDCD	
O=C1C[C@H](C(=O)NCCCSc2nccs2)CCN1	121609356	SNCXVPXYRSRKJR-SECBINFHSA-N	299.421	1.268	10	20	CDCD	
CCN(C)C(=O)CNC(=O)N(C)Cc1ccccc1O	186184324	XDNSIMYJKIUWCP-UHFFFAOYSA-N	279.340	1.012	10	20	CDCD	
CCN(C)C(=O)CNCc1ccc2c(c1)CCCO2	922013758	JJLRMNDHBWXZPF-UHFFFAOYSA-N	262.353	1.580	10	20	CDCD	
CN(C)CC(=O)N1CCOc2cc(N(C)C)ccc21	131639782	AFPGEYVYESVHIP-UHFFFAOYSA-N	263.341	1.040	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)C(=O)c1ccccc1	194476226	ZIPZTIVUQCIBTK-UHFFFAOYSA-N	285.299	1.639	10	20	CDCD	
COc1cccc(CNCCC[C@@H](C)CO)c1O	230160468	PNBLDFZUMZOITF-LLVKDONJSA-N	253.342	1.899	10	20	CDCD	
CC(C)CS(=O)(=O)NCc1ccc(N(C)C)cc1	263661740	DNERACLRMFIOPG-UHFFFAOYSA-N	270.398	1.828	10	20	CDCD	
CN(Cc1ccc(N2CCCCC2)cc1)[C@@H]1COC[C@H]1O	289544975	IFBZZIQAJFQWDE-IAGOWNOFSA-N	290.407	1.868	10	20	CDCD	
COc1ccc(CNC(=O)C2(OC)CCOCC2)c(O)c1	803292027	HTEOFHHPCVGDCJ-UHFFFAOYSA-N	295.335	1.213	10	20	CDCD	
COc1ccccc1CCC(=O)OCC(=O)C(C)=O	808489319	LYQKXRFQUPDFHL-UHFFFAOYSA-N	264.277	1.329	10	20	CDCD	
CCOCC[C@@H](O)CNCc1ccc2c(c1)CCO2	818997133	SGGGQPKZHLXMMD-CQSZACIVSA-N	265.353	1.499	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCC(F)(F)[C@H](CO)C1	812644542	FGGWEXUGSGXODZ-ZETCQYMHSA-N	277.292	1.543	10	20	CDCD	
COCC1(NCc2cc(OC)ccc2O)CCOCC1	816625669	KNLGKCGFYVCBNG-UHFFFAOYSA-N	281.352	1.686	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)N[C@@H](C)CN)c1	817970130	MFTOTLTXEMLUPW-DTWKUNHWSA-N	252.314	1.177	10	20	CDCD	
CN(C(=O)/C=C/c1cncc(F)c1)c1ccn(C)n1	492687413	NDDRYEFMOZNXMN-ONEGZZNKSA-N	260.272	1.630	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)C[C@@H](C)N	828145100	XUSFFJIFJMQPSY-LLVKDONJSA-N	250.342	1.868	10	20	CDCD	
C[C@@H]1CN(Cc2cccc(Br)c2O)CC(=O)N1	824908664	BNCBGMSYIVNZDQ-MRVPVSSYSA-N	299.168	1.475	10	20	CDCD	
COC[C@H]1CCCN(C(=O)c2cc(O)cs2)C1	733365152	ZWMRBJRSEHDVQR-VIFPVBQESA-N	255.339	1.952	10	20	CDCD	
Cc1cccc2c1CCN2C(=O)c1c(C)c[nH]c1CC(N)=O	900428909	FLTLPBRGZMQTOZ-UHFFFAOYSA-N	297.358	1.862	10	20	CDCD	
CCOC(=O)N1CCC(NC(=O)c2cc(O)cs2)CC1	731865256	MLCALVALKDEBRI-UHFFFAOYSA-N	298.364	1.804	10	20	CDCD	
CN(C)c1ccc(CN[C@]2(CC(=O)O)CCOC2)cc1	901837649	PEXBGMSJYGBNLI-HNNXBMFYSA-N	278.352	1.476	10	20	CDCD	
C[C@H]1CCCCN1C(=O)[C@@H](C)NC(=O)c1cc(O)cs1	732282342	MKANVABJCNHXFY-VHSXEESVSA-N	296.392	1.973	10	20	CDCD	
COC[C@@H]1CN(Cc2c(O)ccc3ccncc23)CCO1	742156983	DDTQXJYCSMCCKD-ZDUSSCGKSA-N	288.347	1.788	10	20	CDCD	
COc1ccc(CNC(=O)[C@@H]2CC(C)=NO2)c(O)c1	846949924	KPULFEDBTALPJC-LBPRGKRZSA-N	264.281	1.182	10	20	CDCD	
NCCOCCN(Cc1ccccc1O)C[C@H]1CCCO1	843356081	DOUAJLMJAVJCKT-OAHLLOKOSA-N	294.395	1.349	10	20	CDCD	
C[C@H](N)[C@@H](C)NC(=O)NCc1ccc2c(c1)CCCN2C	841758887	KUJCNJKTBALROG-NWDGAFQWSA-N	290.411	1.604	10	20	CDCD	
CC[C@H](NC[C@H]1CNC(=O)C1)c1ccc(N(C)C)cc1	840833164	LPTOZEOQWXCXIE-WFASDCNBSA-N	275.396	1.929	10	20	CDCD	
CNC[C@](C)(O)CN(C)CCN(C)c1ccc(OC)cc1	846225350	NCTPAJNDBNPEFS-INIZCTEOSA-N	295.427	1.034	10	20	CDCD	
CNCCCN(C)Cc1ccc(N2CCOCC2)cc1	841104147	OKAOYJUJRBCIDB-UHFFFAOYSA-N	277.412	1.565	10	20	CDCD	
COC/C(C)=C/C(=O)OCC(=O)c1ccc(O)c(O)c1	845245346	KTNYVTUPAMKFHR-WEVVVXLNSA-N	280.276	1.416	10	20	CDCD	
CCc1cccc(CN[C@@]2(CCO)CCOC2)c1O	848907525	OZYVBFHHNKDCBK-HNNXBMFYSA-N	265.353	1.586	10	20	CDCD	
COCCN1CCN(c2ccc(OC)cc2OC)CC1	846745835	QGTVHUCLVHRRPG-UHFFFAOYSA-N	280.368	1.472	10	20	CDCD	
CN(C)c1ccc(CNc2cncc(C(=O)O)n2)cc1	830639475	HMFPLHUYUXAMDK-UHFFFAOYSA-N	272.308	1.853	10	20	CDCD	
COc1cccc(O)c1CN1CC[C@@H](C)[C@@H](CO)C1	857062155	YRVRYROPGWHQKS-VXGBXAGGSA-N	265.353	1.851	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CCOC(=O)N1	859418626	FNVPPPNBOJYUIF-ZDUSSCGKSA-N	291.351	1.176	10	20	CDCD	
C[C@H]1CC[C@@H](COC(=O)c2cccc(O)c2O)O1	758557469	BAJSBPIQLNAKKD-IUCAKERBSA-N	252.266	1.822	10	20	CDCD	
COC(=O)C[C@@H](C)C(=O)N[C@@H](C)c1cc(OC)ccc1O	759086254	RISMBINOXSZQBF-ZJUUUORDSA-N	295.335	1.777	10	20	CDCD	
Cc1ccc(CN(C)CCCN2CCN(C)CC2)c(O)c1	877525825	CRYBGYQJMUZBJG-UHFFFAOYSA-N	291.439	1.770	10	20	CDCD	
C[C@@]1(O)CCN(Cc2ccc(N3CCC(O)CC3)cc2)C1	876790711	CKBQGWOKYWFVPO-QGZVFWFLSA-N	290.407	1.604	10	20	CDCD	
COC1(CO)CCN(Cc2cc(C)c(C)cc2O)CC1	775205538	ZNRGSHWKUMPICY-UHFFFAOYSA-N	279.380	1.982	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)c1ccc2nc(O)[nH]c2c1	778924350	UJKOCCGYGKWIAV-UHFFFAOYSA-N	299.286	1.610	10	20	CDCD	
C[C@@H](NC(=O)[C@@H]1CCN(C)C1)c1ccc(N(C)C)cc1	773010388	UJITUGAKAPEPEI-TZMCWYRMSA-N	275.396	1.882	10	20	CDCD	
CON(C)C(=O)CNCc1cc(Cl)cc(F)c1O	895041145	SWLWSNPSDSTMJN-UHFFFAOYSA-N	276.695	1.294	10	20	CDCD	
COC[C@](C)(O)CNCc1cc(C)cc(OC)c1O	894251871	SDVJIJWOMBIDCD-CQSZACIVSA-N	269.341	1.196	10	20	CDCD	
C[C@@H](NCc1c(O)cccc1Br)C(=O)O	706846518	KXRQSLJMFQTHDF-ZCFIWIBFSA-N	274.114	1.717	10	20	CDCD	
CCCNC(=O)CNCc1cc(F)cc(F)c1O	708446024	YTQZVYLDOZIBIV-UHFFFAOYSA-N	258.268	1.286	10	20	CDCD	
C[C@H]1CCN(CCNC(=O)/C=C\c2ccc(O)c(O)c2)C1	1325051480	SAQNCTNTHINSFQ-FHMRSRPSSA-N	290.363	1.569	10	20	CDCD	
CC(C)OC[C@H](NCc1cc(F)cc(F)c1O)C(=O)O	1331984110	YKTPHWVAWFGXQF-NSHDSACASA-N	289.278	1.638	10	20	CDCD	
COC(=O)[C@H]1CCN(C(=O)NCc2ccc(N)cc2)[C@H]1C	1337070016	GHTLXFIRZNBGIX-GWCFXTLKSA-N	291.351	1.362	10	20	CDCD	
CO[C@H]1CCN(C(=O)NCc2ccc(N)cc2)[C@H](C)C1	1335737479	PYPMOLQAYBYFEJ-RISCZKNCSA-N	277.368	1.978	10	20	CDCD	
CC[C@]1(O)CCN(C(=O)NCc2ccc(N)cc2)C1	1262603639	PHZXSDDBHDMZFH-AWEZNQCLSA-N	263.341	1.325	10	20	CDCD	
C[C@@H]1[C@H](NCc2ccc3c(c2)CCCO3)CCS1(=O)=O	922298138	PNZZKRQZGFITAA-BXUZGUMPSA-N	295.404	1.677	10	20	CDCD	
O=C(NCc1cccc(O)c1O)[C@@H]1CCCOC1	1521852303	UJUBKSKPWWCOGC-SNVBAGLBSA-N	251.282	1.141	10	20	CDCD	
O=C(O)[C@@H]1[C@H]2CN(Cc3c(O)ccc4ccncc34)C[C@H]21	1602204290	JLCYJRKRFZAJEB-NHAGDIPZSA-N	284.315	1.703	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)[C@H]1CCCC[C@H]1C(=O)O	1601540386	ZKLASPSSCSWCPM-NWDGAFQWSA-N	293.319	1.605	10	20	CDCD	
CN1CCCN(C(=O)c2ccc(CN=[N+]=[N-])o2)CC1	1537962377	GEFZQXSZUTWQJH-UHFFFAOYSA-N	263.301	1.868	10	20	CDCD	
O=C(O)[C@@]1(O)CCN(Cc2ccc(N3CCCC3)cc2)C1	1601723338	IDSHJAAGLTVMCM-MRXNPFEDSA-N	290.363	1.308	10	20	CDCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CC(=O)O	1591596847	QWDOZHJCQLBLFI-UHFFFAOYSA-N	278.352	1.964	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C[C@H](N)C1CC1	137310435	BVVWHOBZHWAQIU-HNNXBMFYSA-N	275.396	1.838	10	20	CDCD	
COC(CN(Cc1ccccc1O)C[C@H]1CCCO1)OC	161798186	AVVONWIISLIROT-CQSZACIVSA-N	295.379	1.992	10	20	CDCD	
Cc1nnc(NCc2ccc(N3CCOCC3)cc2)n1C	161993667	LJRMBYJEMYBKKE-UHFFFAOYSA-N	287.367	1.572	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)C[C@@H]1CCCN1	169104158	LYHRRKZVVFZCCO-AWEZNQCLSA-N	275.396	1.819	10	20	CDCD	
CCN(C)c1ccc([C@@H](C)NCCOCCO)cc1	159108927	MJZVTOPVDMNINQ-CYBMUJFWSA-N	266.385	1.802	10	20	CDCD	
c1cc2c(cc1CNC[C@@H]1COCCO1)CCCO2	921562138	HSTRLBXSLJJVCV-CQSZACIVSA-N	263.337	1.517	10	20	CDCD	
CN1CC[C@](O)(CNCc2ccc3c(c2)CCCO3)C1	921997921	AGFIIZKAVCMASU-INIZCTEOSA-N	276.380	1.168	10	20	CDCD	
CC(C)CCOCCNC(=O)c1cccc(O)c1O	126363077	ICUJOIZSHMZXEC-UHFFFAOYSA-N	267.325	1.890	10	20	CDCD	
CC[C@H](NCCCC(=O)NC)c1ccccc1O	274939979	SRJYAVRBBDLKKV-LBPRGKRZSA-N	250.342	1.959	10	20	CDCD	
CC(C)[C@@](C)(NCc1ccc(N(C)C)cc1)C(N)=O	297727452	SEPBRRWNVOUEBA-OAHLLOKOSA-N	263.385	1.742	10	20	CDCD	
CC(=O)c1cc(Cl)cc(CN2CCN(C)C(=O)C2)c1O	84205590	AOOVQVGSHWKKGO-UHFFFAOYSA-N	296.754	1.522	10	20	CDCD	
Cc1nnc(CN[C@@H](C)c2cc(F)ccc2O)n1C	393146833	IGAIAGZNJWNPIS-QMMMGPOBSA-N	264.304	1.819	10	20	CDCD	
COc1ccc(CNC[C@@H](OC)C2CC2)c(O)c1	393506147	XDXGIBYHSVRGMW-CQSZACIVSA-N	251.326	1.915	10	20	CDCD	
O=C(CSc1cnccn1)c1ccc(O)c(O)c1	110914046	SGYAARCHVMEUBJ-UHFFFAOYSA-N	262.290	1.863	10	20	CDCD	
C[C@H](NC[C@H]1CN(C)CCN1C)c1ccc(N(C)C)cc1	68801757	RSIGQQIYGCUPFT-YOEHRIQHSA-N	290.455	1.649	10	20	CDCD	
CCN1CCCC[C@H]1C(=O)NCc1cc(OC)ccc1O	114542935	UEVUOMBSQDJCJD-AWEZNQCLSA-N	292.379	1.891	10	20	CDCD	
COc1ccc(O)c(CNC(=O)CCCn2cncn2)c1	114543060	DGHACQOHFBINRX-UHFFFAOYSA-N	290.323	1.089	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1cnn(C)c1	29479009	YIBZHPIDYROXMZ-UHFFFAOYSA-N	272.352	1.758	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CCOC2)c1	178765586	DFMFFPQGHJGVNE-VHSXEESVSA-N	280.324	1.550	10	20	CDCD	
CCCC[C@@H](N)C(=O)N(C)Cc1ccccc1O	37823788	GIMRLVPEKWNMPQ-GFCCVEGCSA-N	250.342	1.868	10	20	CDCD	
CCC[C@H]1C(=O)NCCN1Cc1cc(OC)ccc1O	180552322	XNVCLCAOHBNGRS-ZDUSSCGKSA-N	278.352	1.501	10	20	CDCD	
COc1cc(O)c(CN2CC[C@H]([C@@H](C)O)C2)cc1OC	180865344	SJOGUTFUZKKDHW-MNOVXSKESA-N	281.352	1.612	10	20	CDCD	
COc1ccc(O)c(CN2CCOC[C@]23CCOC3)c1	195013541	SEKQDQZSQMOWKD-OAHLLOKOSA-N	279.336	1.392	10	20	CDCD	
COc1cc(O)c(CN[C@H]2C(=O)NCC[C@H]2C)cc1OC	195008096	FLIXLCBREGRFPI-YMTOWFKASA-N	294.351	1.024	10	20	CDCD	
O=C(NCc1ccccc1O)[C@@H]1CCc2cn[nH]c2C1	266516817	IDAONVHKLSXZGD-SNVBAGLBSA-N	271.320	1.537	10	20	CDCD	
CN(C)C(C)(C)CNC(=O)c1c(F)ccc(O)c1O	276491544	ARBBXYWGXVPBEU-UHFFFAOYSA-N	270.304	1.307	10	20	CDCD	
CCOC(=O)CN(CC(C)C)C(=O)c1cccc(O)c1O	275064473	ZPIRXADKJLMBDN-UHFFFAOYSA-N	295.335	1.759	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNCCOC(C)C)c1O	278489103	LBXXAMFPGGXJRG-UHFFFAOYSA-N	284.312	1.824	10	20	CDCD	
COC(=O)C1(CNC(=O)/C=C/c2ccc(O)c(O)c2)CC1	275318931	SSLGPQKVMVHMMJ-HWKANZROSA-N	291.303	1.180	10	20	CDCD	
C[C@@H](N[C@@H]1CC(=O)N(C)C1)c1ccc(F)c(F)c1O	276935603	OXWAGERGUNSWFR-HTQZYQBOSA-N	270.279	1.552	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H]2CCSC2)c1O	278540033	XFBLDOGCQMIZFI-SECBINFHSA-N	284.337	1.904	10	20	CDCD	
CN(C)c1ccc(CNc2nnc(C(C)(C)O)o2)cc1	276466008	POEIBWCPGIWFHU-UHFFFAOYSA-N	276.340	1.975	10	20	CDCD	
CCCCN1CC(=O)N[C@@H]1c1cc(OC)c(OC)cc1O	271046129	LWMSIKBNQNUCCJ-HNNXBMFYSA-N	294.351	1.640	10	20	CDCD	
CCCOc1ccc(CNC[C@]2(O)CCO[C@@H]2C)c(O)c1	278575966	FEAJQRIOXLPWMG-MLGOLLRUSA-N	295.379	1.811	10	20	CDCD	
CC(=O)C(=O)COC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	808488235	CPJNLAQWISKYEF-UHFFFAOYSA-N	285.639	1.563	10	20	CDCD	
Cc1cc(CN[C@H]2C(=O)NCC[C@@H]2C)ccc1N(C)C	815106863	BVXPWFLMJQGWAY-XHDPSFHLSA-N	275.396	1.675	10	20	CDCD	
C[C@H](NCc1ccc(N2CCCC2)cc1)C1CNC1	817898128	DDLDFFXEZQEPIS-ZDUSSCGKSA-N	259.397	1.984	10	20	CDCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC[C@@H](C)O	819374541	FYVXOZNZUMJUBR-CHWSQXEVSA-N	250.386	1.962	10	20	CDCD	
COC[C@@H](NCCc1ccc(N)cc1)C1CCOCC1	817958807	YKYAPJHUKMTOEH-MRXNPFEDSA-N	278.396	1.843	10	20	CDCD	
CN(C)c1ccc(CNC2(CO)COC(C)(C)OC2)cc1	812838549	QWQMBYSYIGBHEE-UHFFFAOYSA-N	294.395	1.356	10	20	CDCD	
C[C@H](N)[C@H]1COCC[C@H]1NCc1ccc(N(C)C)cc1	817894255	CLYRVDOLMPCVKO-APHBMKBZSA-N	277.412	1.595	10	20	CDCD	
C[C@H](CC(=O)O)C(=O)N(C)Cc1ccccc1O	827248141	URDPXSJHTWWHJV-SECBINFHSA-N	251.282	1.461	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2nonc2C)c1	736680348	HINFUULUJUTZDG-UHFFFAOYSA-N	263.253	1.022	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@H]1c1cncn1C	830141845	ZHJAJRWQJNPRMT-CHWSQXEVSA-N	285.347	1.888	10	20	CDCD	
COc1ccc(CNC(=O)NC[C@H]2CC[C@@H](C)O2)c(O)c1	838743263	XCQBJNOBNIYSKD-ZWNOBZJWSA-N	294.351	1.768	10	20	CDCD	
COCCCOCCC(=O)NCc1ccc(O)cc1O	910944588	UMWOZDPLSCWHDS-UHFFFAOYSA-N	283.324	1.157	10	20	CDCD	
Cc1n[nH]c(C)c1CC(=O)NCc1ccc(O)cc1O	910957125	JVLLHRBHWYOGAG-UHFFFAOYSA-N	275.308	1.297	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)NC[C@H]2CCCN2)c1	841937211	PEBJAOKZHQMCDW-WDEREUQCSA-N	293.367	1.513	10	20	CDCD	
CCOCCONC(=O)NCc1cc(Cl)ccc1O	845123548	UCIBRJTUEWJQKR-UHFFFAOYSA-N	288.731	1.813	10	20	CDCD	
CNC[C@@H]1CCN(Cc2cc(F)cc(C(C)=O)c2O)C1	843349030	DJMCZOSLHSHXKP-NSHDSACASA-N	280.343	1.775	10	20	CDCD	
CC[C@@H](N)CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1	841882187	XKIPHRQMZBVGRE-DGCLKSJQSA-N	278.400	1.850	10	20	CDCD	
O=C(NCc1nc([C@@H]2CCCO2)n[nH]1)c1cc(O)cs1	848390207	FWJONCCHTOWHMA-QMMMGPOBSA-N	294.336	1.353	10	20	CDCD	
CCN[C@H](C)CNC(=O)NCCc1ccc(N)cc1	841955665	JLBOOHNWDWLPDW-LLVKDONJSA-N	264.373	1.109	10	20	CDCD	
CNC[C@H]1CCCN1Cc1cc(OC)c(OC)cc1O	843055565	LTFISMLRDDXPPM-GFCCVEGCSA-N	280.368	1.593	10	20	CDCD	
Cc1cc(C(=O)NC[C@H](N)c2ccc(N(C)C)cc2)ncn1	846663720	MSGQUSOSQVCRJW-AWEZNQCLSA-N	299.378	1.281	10	20	CDCD	
O=C(c1cc(O)cs1)N1C[C@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1	854820893	HHZCELJLOCIYAN-LMLFDSFASA-N	263.318	1.479	10	20	CDCD	
COc1ccc(N(C)CCN(C)C[C@@H]2CNC(=O)C2)cc1	852210829	BEZMZYRNAGFFKG-ZDUSSCGKSA-N	291.395	1.199	10	20	CDCD	
O=C(O)c1cccc(C(=O)NCc2ccccc2O)n1	833328666	WOUWXJJKRGNFNG-UHFFFAOYSA-N	272.260	1.415	10	20	CDCD	
Cc1nccn1CCOC(=O)/C=C\c1ccc(O)c(O)c1	759593124	IYCPRIOBZWUVHF-HYXAFXHYSA-N	288.303	1.859	10	20	CDCD	
O=C1CCCN1c1cnc(NCc2ccccc2O)cn1	853245144	TXYCLOICPMECSF-UHFFFAOYSA-N	284.319	1.921	10	20	CDCD	
O=Cc1cccc(OCC(=O)NCc2ccccc2O)c1	769363199	QGKHWEKWQPCNRD-UHFFFAOYSA-N	285.299	1.900	10	20	CDCD	
COC[C@H]1CCCN(Cc2cc3c(cc2O)OC[C@@H]3O)C1	768446391	JZYYUDAOBIQNQW-NHYWBVRUSA-N	293.363	1.676	10	20	CDCD	
COc1ccc2c(c1)CCCN2CCN1C(=O)CCC1=O	771620206	DHZWHDLTAHMCAK-UHFFFAOYSA-N	288.347	1.597	10	20	CDCD	
C[C@H]1CO[C@@H](CO)CN1Cc1ccc(N2CCCC2)cc1	1116450001	WGQCFBMCFIWWSK-WMLDXEAASA-N	290.407	1.868	10	20	CDCD	
C[C@@H](C[S@@](C)=O)N(C)C(=O)c1cc(O)cs1	777182154	IVVNEADDZXPDLM-HYORBCNSSA-N	261.368	1.293	10	20	CDCD	
COc1cccc(O)c1CN1CC[C@H](n2cncn2)C1	777222852	UMRJVILNJHEUER-NSHDSACASA-N	274.324	1.439	10	20	CDCD	
Cc1cccc(O)c1CN1CC(n2cc([C@@H](C)O)nn2)C1	877176638	UDKVENJSTNCIJF-LLVKDONJSA-N	288.351	1.402	10	20	CDCD	
C[C@H](NC(=O)c1ccn(C)c(=O)c1)c1ccc(N(C)C)cc1	773020422	UJWQMAIEGXAUIR-LBPRGKRZSA-N	299.374	1.942	10	20	CDCD	
C[C@@H](CO[C@@H]1CCOC1)NCc1cc(F)cc(F)c1O	883034093	LOFPEUANLLTQHA-JOYOIKCWSA-N	287.306	1.954	10	20	CDCD	
COC[C@](C)(O)CN[C@@H](C)c1c(O)cccc1F	886526419	LXODGMJUGRTZLV-TVQRCGJNSA-N	257.305	1.579	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCOC[C@H]1c1ncon1	782122821	DNMZFCIYAMTZFX-QMMMGPOBSA-N	281.293	1.050	10	20	CDCD	
COC(=O)C[C@H](C)C(=O)OCC(=O)c1ccc(O)c(O)c1	784118130	KMWWRPVUQIAVNY-QMMMGPOBSA-N	296.275	1.023	10	20	CDCD	
C[C@@H]1CO[C@H](CO)CN1Cc1cc(F)cc(F)c1O	894095423	QIKURFMDCPROAV-KCJUWKMLSA-N	273.279	1.252	10	20	CDCD	
COC[C@H](CNCc1ccc(OC)c(OC)c1O)OC	893485254	VSEAPDVNLJKNFI-NSHDSACASA-N	285.340	1.160	10	20	CDCD	
CCOc1cccc(CN2[C@H](C)C(=O)N[C@H](C)[C@H]2C)c1O	895117307	SOTHHIQFTMHPFF-IJLUTSLNSA-N	292.379	1.888	10	20	CDCD	
OCCn1cc(NCc2c(O)ccc(Cl)c2F)cn1	790955745	XWXMPDQLHNWRPH-UHFFFAOYSA-N	285.706	1.986	10	20	CDCD	
Cc1ccc(O)c([C@@H](C)N[C@@H](C)C(=O)N(C)C)c1	36794389	ABBNFGIPYQAQHJ-MNOVXSKESA-N	250.342	1.828	10	20	CDCD	
Cc1ccc(O)c([C@@H](C)NC[C@]2(O)CCN(C)C2)c1	702638383	YGSQJPZWHCTZDJ-IUODEOHRSA-N	264.369	1.418	10	20	CDCD	
COc1ccc(CNC(=O)[C@@H]2CCCC[C@@H]2N)c(O)c1	1327121376	OCOUEGGDMUYNPD-OLZOCXBDSA-N	278.352	1.535	10	20	CDCD	
CO[C@@H]1CCC[C@H]1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	1337213420	WDAJJADPFMJETI-JVLSTEMRSA-N	293.363	1.960	10	20	CDCD	
CN(C)c1ccc(CN[C@H](CF)C(=O)O)cc1F	1606055685	LXSHQWRSIRELGM-SNVBAGLBSA-N	258.268	1.404	10	20	CDCD	
O=C(O)CC1(NC(=O)c2cc(O)cs2)CCOCC1	1601930334	TUNZFYHRTQRFQG-UHFFFAOYSA-N	285.321	1.207	10	20	CDCD	
C[C@H](NC(=O)NC[C@H](F)C(=O)O)c1ccc(N(C)C)cc1	1604287724	OOADTHAMMUZEDY-CABZTGNLSA-N	297.330	1.536	10	20	CDCD	
O=C(O)[C@@H]1CC(F)(F)CN1C(=O)c1cc(O)cs1	1602172081	IHRHWLCFTMMAIF-LURJTMIESA-N	277.248	1.388	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC[C@H]1CCO[C@H]1C(=O)O	1607667768	RZPGNTHOLDDSLS-UKRRQHHQSA-N	292.379	1.640	10	20	CDCD	
O=C(CSc1nccs1)Nc1cccc(C(=O)O)n1	1601350645	AIAUJPAYSUEHOQ-UHFFFAOYSA-N	295.345	1.967	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H]1C[C@@H](C(=O)O)C1	1596586421	BLGPMMXJQRXAAO-AOOOYVTPSA-N	298.335	1.605	10	20	CDCD	
COc1cc(C)cc(CN(C)CCS(C)(=O)=O)c1O	164279564	GDTQDYFZOZQDBL-UHFFFAOYSA-N	287.381	1.186	10	20	CDCD	
COc1ccc(O)c([C@H](C)NCCOCCO)c1	20198843	AADUJGMUHLXDMO-JTQLQIEISA-N	255.314	1.060	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC[C@]2(O)CCOC2)c1	186177724	ATWKGEOUAKYOKA-IINYFYTJSA-N	267.325	1.203	10	20	CDCD	
CONC(=O)/C=C/c1ccc(N2CCOCC2)cc1	108772687	WAMGNHBMRNFXIK-QPJJXVBHSA-N	262.309	1.214	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)[C@H]1CC12CCOCC2	122907737	MTDQIMGLYQPVNS-GFCCVEGCSA-N	291.347	1.573	10	20	CDCD	
C[C@H](NC[C@]1(O)CCOC1)c1ccc(F)cc1O	186177641	JBDXYNPWDIBACM-TVQRCGJNSA-N	255.289	1.333	10	20	CDCD	
CS(=O)(=O)CCCC(=O)Nc1ccc(N)cc1	38063823	YODICQQAQBQNMY-UHFFFAOYSA-N	256.327	1.032	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1(O)CCCC1	186426426	VUXPXKXQHUWVNA-SNVBAGLBSA-N	279.336	1.450	10	20	CDCD	
CNC(=O)CCCN(C)Cc1ccc(N(C)C)c(F)c1	131827567	FWGZUGULDOTGAK-UHFFFAOYSA-N	281.375	1.850	10	20	CDCD	
CC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	48963481	UZJWQDNNBZLTAF-UHFFFAOYSA-N	266.316	1.423	10	20	CDCD	
O=C(NCc1ccc(N2CCOCC2)cc1)NC1CC1	49127492	VAGFLDWPIOKAJV-UHFFFAOYSA-N	275.352	1.485	10	20	CDCD	
COc1nccc(CN(C)Cc2ccccc2O)n1	294778961	JYAFHOOBHMKVLC-UHFFFAOYSA-N	259.309	1.823	10	20	CDCD	
CCOC[C@H](O)CN1CCOc2cc(N(C)C)ccc21	181131300	WVYCDWNHGOVYOC-CYBMUJFWSA-N	280.368	1.349	10	20	CDCD	
CCO[C@@H]1C[C@@H](NCc2ccccc2O)[C@H]1OC	252838248	BLSVNOCUBCEFNF-MRVWCRGKSA-N	251.326	1.674	10	20	CDCD	
COCc1cc(C(=O)NCCc2ccc(O)c(O)c2)no1	269225031	RSQGYBFBWNZDOG-UHFFFAOYSA-N	292.291	1.205	10	20	CDCD	
CCOc1cccc(CN2CCC(O)(COC)CC2)c1O	271178408	KLKOULACBQBBNH-UHFFFAOYSA-N	295.379	1.764	10	20	CDCD	
Cc1ccc(O)c(CN2CC(n3cc([C@@H](C)O)nn3)C2)c1	374816281	FFPXJVDLOHUFSU-LLVKDONJSA-N	288.351	1.402	10	20	CDCD	
Nc1nc(C2CC2)ncc1C(=O)NCc1ccccc1O	806718145	UPYCYYURZOSLIW-UHFFFAOYSA-N	284.319	1.572	10	20	CDCD	
COc1cc(C(=O)OCC(=O)C(C)=O)cc2c1O[C@@H](C)C2	808492700	BTPAIQPVZQAJGN-QMMMGPOBSA-N	292.287	1.334	10	20	CDCD	
c1cc2c(cc1CN[C@@H](C1CC1)[C@H]1CNCCO1)CCO2	817902199	KPTJMUFZTKORBK-SJORKVTESA-N	288.391	1.478	10	20	CDCD	
C[C@H](N)[C@@H]1COCC[C@H]1NCc1ccc(N(C)C)c(F)c1	817901772	YHVIEOZSBGQUEN-CORIIIEPSA-N	295.402	1.734	10	20	CDCD	
CCc1cc(NC(=O)c2ccc(C)c(O)c2O)nn1C	817691369	XEGUCKOZWVQNCC-UHFFFAOYSA-N	275.308	1.954	10	20	CDCD	
Cc1ncccc1/C=C1/SC(=S)N(CC(=O)O)C1=O	728910198	NEDAIWPKDGAVAN-WEVVVXLNSA-N	294.357	1.676	10	20	CDCD	
O=C1CN(C(=O)/C=C\c2cccnc2)c2ccncc2N1	491902316	DYEJOKHHOXPGSD-ARJAWSKDSA-N	280.287	1.475	10	20	CDCD	
CN1C(=O)/C(=C\c2ccc(-c3nn[nH]n3)o2)SC1=S	821619496	ZQLOUEZFRYUULQ-QPJJXVBHSA-N	293.333	1.291	10	20	CDCD	
COc1cc(O)c(CN2C[C@@H]3CCN(C)[C@@H]3C2)cc1OC	824893534	UWHIJENOXJPSAX-WCQYABFASA-N	292.379	1.545	10	20	CDCD	
Cn1cncc1/C=C1/SC(N2CCCCC2)=NC1=O	901435904	JOBJGCFBYDCKSL-YRNVUSSQSA-N	276.365	1.876	10	20	CDCD	
COC(=O)c1cnc(S[C@@H](C)C(=O)OC)s1	829680803	FGVDNVGEDMRFQM-YFKPBYRVSA-N	261.324	1.583	10	20	CDCD	
COc1cccc(O)c1CN1C[C@H](C)[C@](C)(CO)C1	827700012	NXJGWVWPNUUKOU-NHYWBVRUSA-N	265.353	1.851	10	20	CDCD	
CCCNC(=O)CCNC(=O)c1cc(O)cs1	732276186	WDIOSKHLGJKGEH-UHFFFAOYSA-N	256.327	1.100	10	20	CDCD	
CCN1CCCC[C@@H]1C(=O)NCCc1ccc(N)cc1	832659206	SUYTUXLASWWKBN-OAHLLOKOSA-N	275.396	1.802	10	20	CDCD	
Cc1ccc(C(=O)NC[C@H]2CC[C@@H](C)O2)c(O)c1O	837282814	MMPLSTMILMZNMO-NXEZZACHSA-N	265.309	1.704	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1C[C@@H](C(=O)O)O[C@H](C)C1	901935164	XKCKLNCFGNNXIL-DOMZBBRYSA-N	292.379	1.735	10	20	CDCD	
Cc1cc(C(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)on1	832286413	ZUIPLKPXSJXOAQ-CYBMUJFWSA-N	288.351	1.479	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)C1CCN(C2CC2)CC1	910946356	MRZAVKJJNXJEPN-UHFFFAOYSA-N	290.363	1.588	10	20	CDCD	
CC[C@H](O)[C@H](C)C(=O)N(CC(=O)O)Cc1ccccc1O	911484430	NSBCCYSJPPUMDL-JQWIXIFHSA-N	295.335	1.212	10	20	CDCD	
CC[C@H](C(=O)N(CC(=O)O)Cc1ccccc1O)N(C)C	911487301	COOPIEPXODPRBE-GFCCVEGCSA-N	294.351	1.146	10	20	CDCD	
CCOc1cccc(CN[C@@H](CN)C2CC2)c1O	841028079	LEQLYLLCJKERJT-LBPRGKRZSA-N	250.342	1.618	10	20	CDCD	
C[C@H](CNCc1cc(Cl)cc([N+](=O)[O-])c1O)C(=O)O	848636978	AAQWCOTYUUXYKP-ZCFIWIBFSA-N	288.687	1.764	10	20	CDCD	
CN1CCN(c2ccc(CNCC(F)(F)CN)cc2)CC1	841060313	UMHQUCHFBXZUAY-UHFFFAOYSA-N	298.381	1.122	10	20	CDCD	
Nc1ccc(CCNC(=O)[C@@H]2[C@H]3CCC(=O)[C@@H]32)cc1	911783672	XBUNMKAEHQFYDT-IACUBPJLSA-N	258.321	1.153	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1CCN2C(=O)OC[C@@H]2C1	840915810	FRBHDIMGGVMOJD-HNNXBMFYSA-N	289.379	1.697	10	20	CDCD	
COc1ccc(N(C)C[C@@H](O)COC[C@@H]2CCCO2)cc1	844353613	RTKIYMLCIBMSSP-ZBFHGGJFSA-N	295.379	1.688	10	20	CDCD	
COc1cccc([C@H](C)NC[C@@H](CO)[C@@H]2CCOC2)c1O	846166589	AKAORRAZTRXVBF-XQQFMLRXSA-N	295.379	1.696	10	20	CDCD	
O=C(CNC(=O)C1CC1)NCc1cc(Cl)ccc1O	846474115	ZKIKSEIFLXTNCP-UHFFFAOYSA-N	282.727	1.188	10	20	CDCD	
COc1cccc([C@H](C)NCCN2CCO[C@@H](C)C2)c1O	846146617	RHTACKLGGFLRGU-STQMWFEESA-N	294.395	1.772	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CCO[C@H]1CN	852870209	BQQQJSIUTUIQMW-CABCVRRESA-N	291.395	1.041	10	20	CDCD	
Cc1cc(CN(C)Cc2nnc(O)o2)ccc1N(C)C	852186748	IKRDFXIIUVTNPJ-UHFFFAOYSA-N	276.340	1.782	10	20	CDCD	
C[C@@H](NCCN1CC[C@@H](O)C1)c1cc(Cl)ccc1O	858547314	FRCKROOACIRWLX-ZYHUDNBSSA-N	284.787	1.763	10	20	CDCD	
OCCCCN1CCN(Cc2c(O)cccc2Cl)CC1	769396139	WEZDDKFUSXCDNP-UHFFFAOYSA-N	298.814	1.936	10	20	CDCD	
COc1ccc(O)c(CNC(=O)CN2[C@@H](C)CC[C@@H]2C)c1	769540281	LBGCCIQQNDHGMM-RYUDHWBXSA-N	292.379	1.890	10	20	CDCD	
CCO[C@H](CC)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	773739847	FJXSUIUNGYDURB-QMTHXVAHSA-N	281.352	1.960	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNC[C@@]2(C)CCCO2)c1O	775038512	TUYICBAQHNEJAK-CQSZACIVSA-N	296.323	1.968	10	20	CDCD	
COCCCOCCN(C)Cc1c(O)cccc1OC	779603978	PFJJOXGVHNRRIC-UHFFFAOYSA-N	283.368	1.886	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1CCSC[C@H]1CO	877779907	HXGSTRLQJHGWSH-OAHLLOKOSA-N	280.437	1.971	10	20	CDCD	
N[C@H](CO)c1ccc(Br)c(F)c1O	72199094	AQWIEFSGDGJBHG-ZCFIWIBFSA-N	250.067	1.286	10	20	CDCD	
C[C@@H](NC[C@H](O)CN(C)C)c1c(O)cccc1F	886524338	ISLXPONXEYVKGQ-ZJUUUORDSA-N	256.321	1.104	10	20	CDCD	
CCOC[C@H](NCc1ccc2c(c1)CCCO2)C(=O)O	1120087518	KXVOOQNIWWCSEE-ZDUSSCGKSA-N	279.336	1.591	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)NC[C@H]1CCC=CO1	781487896	OYMJFGLMGUEARS-SMYYYNMVSA-N	275.304	1.920	10	20	CDCD	
Cc1cc(NCCc2ccc(O)c(O)c2)n2nc(C)nc2n1	882056554	YZKZMUASJYMABP-UHFFFAOYSA-N	299.334	1.807	10	20	CDCD	
Cc1cccc(CN2CCN(CCO)C(C)(C)C2)c1O	783715775	WBTRFYRIUVVFND-UHFFFAOYSA-N	278.396	1.589	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2cncn2C)c1	788299282	QZGJGLJFHZYEFT-UHFFFAOYSA-N	261.281	1.064	10	20	CDCD	
COc1cc(C)cc(CNCCC(=O)NC(C)C)c1O	894169613	GPARYXHKIXKNAZ-UHFFFAOYSA-N	280.368	1.714	10	20	CDCD	
C[C@H]1CCCN1CCNC(=O)NCc1ccccc1O	892527862	ZIRKBKGKKXBIHC-LBPRGKRZSA-N	277.368	1.676	10	20	CDCD	
COCC(=O)N1CC[C@@H](NCc2ccc(OC)c(C)c2)C1	965971156	CMYKSZGAICJXOP-CQSZACIVSA-N	292.379	1.341	10	20	CDCD	
COc1cc(C)cc(CNCc2cn(C)nn2)c1O	894436538	GVYQLPGSLGXBCD-UHFFFAOYSA-N	262.313	1.128	10	20	CDCD	
COc1cc(C)cc(CN2CC[C@H](C)C[C@H]2C(N)=O)c1O	894500942	SLHLMUYVVNAJIR-GWCFXTLKSA-N	292.379	1.795	10	20	CDCD	
CC[C@H](C)[C@](C)(O)CNC(=O)c1cccc(O)c1O	790759158	GJSFOIJRESQTSE-LKFCYVNXSA-N	267.325	1.625	10	20	CDCD	
O=C(Nc1cc(C2CC2)[nH]n1)c1cccc(O)c1O	790577889	VGLADKJPLUMXEE-UHFFFAOYSA-N	259.265	1.951	10	20	CDCD	
COC(=O)[C@H]1CCC[C@H]1NCc1cc(OC)ccc1O	1321868671	SNFNFNDHIHORTR-QWHCGFSZSA-N	279.336	1.832	10	20	CDCD	
Cn1cccc1CNC(=S)NC[C@H]1CCOC1	1335125595	HRZRHRTXTCGRJK-SNVBAGLBSA-N	253.371	1.026	10	20	CDCD	
Cc1cnc(C(=O)NCCc2ccc(O)c(O)c2)cn1	98074469	ADCSYAIVRZSPHY-UHFFFAOYSA-N	273.292	1.169	10	20	CDCD	
CN(Cc1ccccc1O)c1nnc(-c2ccnn2C)n1C	1355286383	VLKDZWDFOQWBJO-UHFFFAOYSA-N	298.350	1.558	10	20	CDCD	
CC(=O)NCCN(Cc1ccc(C)cc1O)[C@@H](C)C(=O)O	1588515187	XGFYRASPZHKMKJ-NSHDSACASA-N	294.351	1.112	10	20	CDCD	
C[C@@H](N[C@@H]1C=CCC1)c1cccc(-c2nn[nH]n2)c1O	1589952014	MYMNYXYZPVEEHV-NXEZZACHSA-N	271.324	1.942	10	20	CDCD	
O=C(O)Cn1ccc(NCc2c(O)cccc2Cl)n1	1595152946	MDYFOGOBFSZCOC-UHFFFAOYSA-N	281.699	1.939	10	20	CDCD	
COc1cccc(CNS(=O)(=O)CCC(C)C)c1O	161111129	WDZYASOKNBKGQL-UHFFFAOYSA-N	287.381	1.866	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)CCCCCN	155820810	IQJAAKCJCNDZJM-UHFFFAOYSA-N	291.395	1.997	10	20	CDCD	
Cn1cnc(CNCc2ccc3c(c2)CCCO3)n1	921957646	RBAAKMVHFSXIER-UHFFFAOYSA-N	258.325	1.430	10	20	CDCD	
Nc1ccc(CCNC(=O)c2c[nH]nc2C2CC2)cc1	832652697	BVEYJGAZKRLAJS-UHFFFAOYSA-N	270.336	1.842	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCO[C@H]2CCC[C@H]21	126348996	MJTRGACPORYLIW-PWSUYJOCSA-N	263.293	1.491	10	20	CDCD	
COc1cccc(CN[C@H](C)CN2CCCC2=O)c1O	37782227	YPJGHBCVZINZFX-LLVKDONJSA-N	278.352	1.501	10	20	CDCD	
C[C@](O)(CNCc1cc2c(cc1O)OCO2)C(F)(F)F	270556718	OHXGZDVCQDJBRZ-NSHDSACASA-N	293.241	1.524	10	20	CDCD	
COc1cc(C(=O)N(C)Cc2ccccc2O)nn1C	274785658	KZFHWAJKFIAFBB-UHFFFAOYSA-N	275.308	1.407	10	20	CDCD	
CC(C)[C@H](C(=O)NCc1ccccc1O)[C@H](C)N	399493188	HJQRMHBVWILEEA-GWCFXTLKSA-N	250.342	1.628	10	20	CDCD	
C[C@@H]1CSCCN1C(=O)c1ccccc1S(C)(=O)=O	172525002	XAAYJDKWPDCJPD-SNVBAGLBSA-N	299.417	1.668	10	20	CDCD	
CNC(=O)[C@H]1CCCCN1C(=O)c1ccc(C)c(O)c1O	179547579	TWYYPSCJACZMOE-LLVKDONJSA-N	292.335	1.147	10	20	CDCD	
O=C(CCc1ccoc1)NCc1ccc(O)c(O)c1	182523277	AQARCTKQVCPIPT-UHFFFAOYSA-N	261.277	1.940	10	20	CDCD	
CC(C)[C@H](CCO)NC(=O)Cc1ccc(N)cc1	157456144	MHDPUGQUBYCNEM-ZDUSSCGKSA-N	250.342	1.335	10	20	CDCD	
C[C@@H](O)[C@H]1CCN(Cc2cc3c(cc2O)OCO3)C1	180870042	TWSIMHDGCLABGH-ZJUUUORDSA-N	265.309	1.324	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N2CC[C@@](C)(O)C2)cc1F	188553972	KTHVSQOFFZFRAY-OAHLLOKOSA-N	295.358	1.558	10	20	CDCD	
O=S(=O)(Nc1ccc(O)cc1Cl)N1CCOCC1	85205188	ZMGHRULCOLGIDQ-UHFFFAOYSA-N	292.744	1.035	10	20	CDCD	
COC1(CNCc2cccc(C)c2O)CCOCC1	182654952	GSHFQSFPQVQAFF-UHFFFAOYSA-N	265.353	1.986	10	20	CDCD	
C[C@H](NC[C@]1(O)CCOC1)c1cc([N+](=O)[O-])ccc1O	273344752	AKOLQKZYCMSVFU-TVQRCGJNSA-N	282.296	1.102	10	20	CDCD	
CCO[C@@H]1C[C@@H](NCc2cc(F)ccc2O)[C@H]1OC	274847863	ATWGTJDAUXKUNH-MRVWCRGKSA-N	269.316	1.813	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)NCc2nncn2C)c1	273394917	LQNVGYJXOBRWEZ-VIFPVBQESA-N	290.323	1.158	10	20	CDCD	
CCN1CCC[C@@H]1CNC(=O)/C=C/c1ccc(O)c(O)c1	272445741	MYSYXOAQHLJHTD-STMXVASLSA-N	290.363	1.712	10	20	CDCD	
CCOCCCNCc1ccc([N+](=O)[O-])c(OC)c1O	278829158	IMNVGTSHFXRMQK-UHFFFAOYSA-N	284.312	1.825	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2CCC[C@@H]2CO)c1O	278178646	GQNKDOFZLXGSQF-SNVBAGLBSA-N	282.296	1.266	10	20	CDCD	
Cc1cc(O)c(CN2CCCS(=O)(=O)CC2)cc1C	377184106	XGEBSSKNODDUCA-UHFFFAOYSA-N	283.393	1.630	10	20	CDCD	
C[C@@H](NCCc1cnn(C)c1)c1cc([N+](=O)[O-])ccc1O	273425760	UADWATAYWZREAZ-SNVBAGLBSA-N	290.323	1.927	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H](C)CN(C)C)c(O)c1O	286911065	HOYGNWUWRKBCBD-VIFPVBQESA-N	252.314	1.086	10	20	CDCD	
CCOc1ccc(CNCCc2cn[nH]c2)c(O)c1	810166049	KOTMXHOTCSFPNC-UHFFFAOYSA-N	261.325	1.846	10	20	CDCD	
CC[C@@H](NCCNCCOC)c1ccc(F)cc1O	817965267	SJLMIKPDUZRRCR-CYBMUJFWSA-N	270.348	1.808	10	20	CDCD	
OCCC[C@H]1CCN(Cc2cc3c(cc2O)OCO3)C1	825338343	ONNMGAJOTHYUAS-NSHDSACASA-N	279.336	1.715	10	20	CDCD	
COC(=O)c1cnc(SCC(=O)NCC(C)C)s1	829692845	UYDSFVYNWOFHLA-UHFFFAOYSA-N	288.394	1.794	10	20	CDCD	
CCN1C[C@H](NCc2cc(Cl)c(F)cc2O)CC1=O	824893523	ULDPZDIOLNCBQA-SECBINFHSA-N	286.734	1.895	10	20	CDCD	
Oc1ccc(Cl)cc1CN1CCc2nn[nH]c2C1	827884715	GHTFPQXWXQGOSQ-UHFFFAOYSA-N	264.716	1.722	10	20	CDCD	
CCCOc1ccc(CN[C@@H](CN(C)C)C(=O)O)cc1C	904057769	BHZQNXHLOOKJPH-AWEZNQCLSA-N	294.395	1.888	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@@]2(C)CCNC2=O)c1	821065090	KUTAQQIFXSSXJC-PSLIRLAXSA-N	292.335	1.104	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)NC[C@@]1(C)CCOC1	733651966	ZQGBFJXVDRJVTF-OAHLLOKOSA-N	278.352	1.960	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)C1(Br)CC1	910943341	AJUXHLTZHVJYMZ-UHFFFAOYSA-N	286.125	1.642	10	20	CDCD	
COc1ccc(O)c(CN[C@H]2CC23CCNCC3)c1	841079332	MODPFDUPLGXUCH-AWEZNQCLSA-N	262.353	1.633	10	20	CDCD	
CCOc1cccc(CNC[C@@H]2CC(=O)N(CC)C2)c1O	846092937	KVXPZNIPMBLMRN-LBPRGKRZSA-N	292.379	1.749	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)NCC(F)F	674368550	HYKZLECTMKDQLD-UHFFFAOYSA-N	285.294	1.926	10	20	CDCD	
CCOc1ccc(CNC[C@@H](C)C(=O)O)c(O)c1	848637720	LHSUGNBPVFUOLO-SECBINFHSA-N	253.298	1.601	10	20	CDCD	
CCOC(=O)[C@@H](CC1CC1)NC(=O)Cc1ccc(N)cc1	843449184	XPZBUNXOYUPLHG-CQSZACIVSA-N	290.363	1.659	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(CO)on1	748007609	BIPZKVXZGYYLAD-UHFFFAOYSA-N	289.335	1.505	10	20	CDCD	
COc1ccc(N(C)CCN(C)[C@H](C)C(=O)O)cc1	844839719	SZZZNTATGGAGIX-LLVKDONJSA-N	266.341	1.536	10	20	CDCD	
CC(C)(C)C[C@@H](CO)NC(=O)NCCc1ccc(N)cc1	841958964	IZBCBAJTXGIYPC-AWEZNQCLSA-N	293.411	1.908	10	20	CDCD	
Cc1cc(C)n(CCOC(=O)c2cccc(O)c2O)n1	758579179	FDFPADREBSPPGG-UHFFFAOYSA-N	276.292	1.768	10	20	CDCD	
C[C@H](O)CCNCc1ccc(N2CCN(C)CC2)cc1	758485033	ZNOIQQMAEBATNU-AWEZNQCLSA-N	277.412	1.299	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@@]1(C(=O)O)CC1(C)C	852948336	XCZOHVZJPPCMHE-OAHLLOKOSA-N	277.320	1.852	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)N[C@H]2CCN(C)[C@@H](C)C2)c1	858283940	AGQGOKQLUOHZLO-JSGCOSHPSA-N	291.395	1.983	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H]1CCC(=O)NC1	935947464	YPIIKRILQRMJCE-SNVBAGLBSA-N	297.351	1.020	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N(C)C2CC(O)C2)cc1F	760105192	AHMLUIMQECZBRQ-UHFFFAOYSA-N	295.358	1.556	10	20	CDCD	
COc1cccc(CNC(=O)c2cc(C)nnc2C)c1O	767155078	KLVYDCSSDFVLFV-UHFFFAOYSA-N	287.319	1.738	10	20	CDCD	
CC1(C)CN(Cc2ccc(N3CCOCC3)cc2)CCN1	769192146	ZNLCGGDZVJCVJE-UHFFFAOYSA-N	289.423	1.707	10	20	CDCD	
CCCOCCOC(=O)NCc1ccc(O)cc1O	867417457	WGMBFVOYJHYXAD-UHFFFAOYSA-N	269.297	1.751	10	20	CDCD	
Cc1ccc(CN2CCN3C(=O)CC[C@H]3C2)c(O)c1	876654926	UJUDKLCMGLTDQR-ZDUSSCGKSA-N	260.337	1.507	10	20	CDCD	
CCNC(=O)CN[C@H](C)c1ccc(N2CCOCC2)cc1	764608922	OTZTYAXTBFEQLW-CYBMUJFWSA-N	291.395	1.310	10	20	CDCD	
CCOc1ccc(CNc2nnc(C)n2C)c(O)c1	777732883	AZZHKZXZICBPKR-UHFFFAOYSA-N	262.313	1.840	10	20	CDCD	
CN(C(=O)CNC(=O)CC1CCCC1)c1ccc(N)cc1	877075234	ATLZNQNUXUILIK-UHFFFAOYSA-N	289.379	1.928	10	20	CDCD	
C[C@@H](C(=O)N[C@H](C)c1ccc(N(C)C)cc1)S(C)(=O)=O	773018092	HENWHKLSXQSKEI-MNOVXSKESA-N	298.408	1.363	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)c1cccc(O)c1O	776353727	BNIWMQAKGVMZCD-UHFFFAOYSA-N	289.287	1.482	10	20	CDCD	
COc1ccc(CNCCNC(=O)[C@@H]2CCCO2)cc1C	1123127890	RBVULMZNGDRBRP-HNNXBMFYSA-N	292.379	1.388	10	20	CDCD	
C[C@@H](NC[C@]1(O)CCN(C)C1)c1c(O)cccc1F	886590147	ORHSYBPKBMYDCJ-QMTHXVAHSA-N	268.332	1.249	10	20	CDCD	
C[C@@H](O)[C@H]1CCN(C(=O)NCc2ccc(N)cc2)C1	1120591950	NMAKKOMESCKDOT-PWSUYJOCSA-N	263.341	1.181	10	20	CDCD	
CC(=O)N1C[C@@H]2CN(Cc3cccc(C)c3O)C[C@@H]2C1	895575312	AQDUPAHTZKWPJZ-GASCZTMLSA-N	274.364	1.611	10	20	CDCD	
COc1cc(C)cc(CNC[C@H]2CCCN2C)c1O	894206263	GGCFSEVHHHWBPT-CYBMUJFWSA-N	264.369	1.893	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CC1OCCCO1	793800232	QSDSDJFTBZGHGJ-SNVBAGLBSA-N	295.335	1.298	10	20	CDCD	
CN(CC(=O)NC1CC1)Cc1ccc(N(C)C)cc1	102675113	SQMLGMHCABYCMB-UHFFFAOYSA-N	261.369	1.463	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C12CC(CN1)C2	822184792	JCQRFJCYPRWXSZ-UHFFFAOYSA-N	273.380	1.463	10	20	CDCD	
COc1cncc(S(=O)(=O)Nc2ccc(O)cc2)c1	799121088	SUHBITCSCNDAKS-UHFFFAOYSA-N	280.305	1.597	10	20	CDCD	
COc1ccc(O)c(CN2C[C@H](C)N(C)C[C@H]2C)c1	775984959	IRJOZIJPJKFARO-NWDGAFQWSA-N	264.369	1.925	10	20	CDCD	
C[C@@H](CN)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	1263259978	MWWUHPIYKKZCHV-SWLSCSKDSA-N	292.427	1.066	10	20	CDCD	
O=C1N[C@H]2CCN(Cc3cc(F)cc(F)c3O)C[C@@H]2CO1	1262111313	CAAKKHZILPOEMU-SKDRFNHKSA-N	298.289	1.601	10	20	CDCD	
COc1cc(N2CCN(C)CC2)c([N+](=O)[O-])cc1OC	32190437	IXYQTHAFNSMNAO-UHFFFAOYSA-N	281.312	1.364	10	20	CDCD	
C[C@H](NC[C@@H]1CCCO1)c1cc(C(=O)O)ccc1O	1593256441	HRGMCHYRIOBDRH-ONGXEEELSA-N	265.309	1.920	10	20	CDCD	
CC[C@@H](CO)N[C@H](C)c1cc(C(=O)O)ccc1O	1597285237	HGOCYYWWIPNMPO-SCZZXKLOSA-N	253.298	1.512	10	20	CDCD	
C[C@H](NCc1cc(C(=O)O)nn1C)c1ccccc1O	1594241062	VRYADEZUVCQMLS-VIFPVBQESA-N	275.308	1.675	10	20	CDCD	
Cc1cc(C)c(C(=O)NCCc2ccc(N)cc2)c(=O)[nH]1	152579716	NWCCRCBRCVAZEB-UHFFFAOYSA-N	285.347	1.546	10	20	CDCD	
CC(C)C[C@@H](O)CNC(=O)Nc1ccc(N)cc1	841299379	BTALCJDTOOLXPA-GFCCVEGCSA-N	251.330	1.797	10	20	CDCD	
CCC[C@H](O)CCNC(=O)c1cccc(O)c1O	832666211	BICSWJVTRXSUSR-VIFPVBQESA-N	253.298	1.379	10	20	CDCD	
CNC(=O)[C@]1(C)CCN(Cc2cc(OC)ccc2O)C1	228099337	XDSFCNILVPPMJI-OAHLLOKOSA-N	278.352	1.359	10	20	CDCD	
CN(Cc1cnn(C)c1)C(=O)c1cccc(O)c1O	126288689	PGWHSVMDGHTCRS-UHFFFAOYSA-N	261.281	1.104	10	20	CDCD	
CN1CCC(CNC(=O)c2cccc(O)c2O)CC1	126351999	NAOPYVLELQZIFH-UHFFFAOYSA-N	264.325	1.169	10	20	CDCD	
C[C@H](CN1CCCCC1)NC(=O)Cc1ccc(N)cc1	36999064	MMYPBESJYUENAF-CYBMUJFWSA-N	275.396	1.802	10	20	CDCD	
COc1cccc(CN2CCC[C@H]3CNC[C@H]32)c1O	299919029	KZMNWMLMOSOSAZ-WCQYABFASA-N	262.353	1.585	10	20	CDCD	
OCCNC1CCN(Cc2cc(F)ccc2O)CC1	686279359	LKCZXQJNQSEVQQ-UHFFFAOYSA-N	268.332	1.078	10	20	CDCD	
C[C@H](CN(C)Cc1cc(F)cc(F)c1O)C(=O)O	708216413	SBTKVJZJDZPEOZ-SSDOTTSWSA-N	259.252	1.823	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@H]1C[C@H]2CC[C@H]1NC2	394665016	CGHFDEVKHWRCHT-KWCYVHTRSA-N	274.364	1.739	10	20	CDCD	
CCOCC(=O)NCc1ccc2c(c1)CCCN2C	58768593	WAVULPJXRJOSGN-UHFFFAOYSA-N	262.353	1.722	10	20	CDCD	
Cc1cc(C(=O)N[C@H](C)C(N)=O)c(C)n1-c1ccccc1	53394221	IWMWYJZJRMGHKS-LLVKDONJSA-N	285.347	1.698	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)[C@@H]2CNCCO2)cc1	178712558	YFYBUVVKVYTJKH-HNNXBMFYSA-N	291.395	1.137	10	20	CDCD	
Cc1nc(C(=O)NCc2ccc(N(C)C)cc2)co1	186792157	KWTBXXXPWVLSIM-UHFFFAOYSA-N	259.309	1.979	10	20	CDCD	
O=C(NCCCSc1nccs1)C1(O)CCC1	186213620	FJGWEPBTLBEYIN-UHFFFAOYSA-N	272.395	1.657	10	20	CDCD	
CCc1cc(C(=O)NCc2ccc(O)c(O)c2)[nH]n1	182527618	HXRQPNYMOVRMFD-UHFFFAOYSA-N	261.281	1.313	10	20	CDCD	
CN(Cc1cc(Br)ccc1O)[C@@H]1CCNC1	220106919	XSZIZBAODXDWJC-LLVKDONJSA-N	285.185	1.948	10	20	CDCD	
COc1ccc(N(C)CCCN2CCOCC2)c(OC)c1	131783304	HXWWIOQQVIAIIQ-UHFFFAOYSA-N	294.395	1.862	10	20	CDCD	
CC[C@@H](CO)NC(=O)NCc1ccc(N2CCCC2)cc1	47602037	AJSUOZXQKRCLMD-AWEZNQCLSA-N	291.395	1.857	10	20	CDCD	
C[C@@H](CO[C@@H]1CCOC1)NC(=O)Cc1ccc(N)cc1	237456011	URNARLSXOCJHJU-SMDDNHRTSA-N	278.352	1.122	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccn(C)n1	190956786	VTNIZXMFXMNCHI-VIFPVBQESA-N	290.323	1.584	10	20	CDCD	
CCCNC(=O)CSc1ncc(C(=O)OC)s1	294896215	AAOCUCSFQZMJGC-UHFFFAOYSA-N	274.367	1.548	10	20	CDCD	
O=C(NCc1ccccc1O)NCC12CC(CO1)C2	528247973	WIVVAUXLIMQFPJ-UHFFFAOYSA-N	262.309	1.370	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@H]1C[C@]12CCNC2	364154436	DLHSHADBUNURHH-DOMZBBRYSA-N	260.337	1.350	10	20	CDCD	
CC1(C)C[C@@H](NC(=O)/C=C/c2ccc(O)c(O)c2)C(=O)O1	272685237	SQBIEITVRRVHOR-DFVUYQKZSA-N	291.303	1.321	10	20	CDCD	
Cc1ccc(C(=O)N(C)[C@H]2CCCCNC2=O)c(O)c1O	378566581	ATHCTIUETGTLFO-NSHDSACASA-N	292.335	1.147	10	20	CDCD	
CCOc1ccc(O)c(CN[C@@H](C)C(=O)NCCF)c1	282652768	LIPXEXVWPSCBQE-JTQLQIEISA-N	284.331	1.355	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H]1C[C@@H]1OCC	808095199	VRARCIQRYTUSAY-JQWIXIFHSA-N	284.352	1.919	10	20	CDCD	
OC[C@@]1([C@@H](NCc2cc(F)ccc2O)C2CC2)CCCO1	816666301	JOUHYNFRHLETKZ-JKSUJKDBSA-N	295.354	1.941	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@H]2CCN[C@H](C)C2)c1	817970872	GNAFJKRNKBGUPO-MDZLAQPJSA-N	292.379	1.970	10	20	CDCD	
O=C1CN(Cc2ccccc2O)C(=O)N1[C@@H]1C[C@H]1C1CC1	819170045	SKNDELOHOHSKOX-QWHCGFSZSA-N	286.331	1.955	10	20	CDCD	
CCOCC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1	819578487	NBRXCRIUJHMTFL-CYBMUJFWSA-N	292.379	1.674	10	20	CDCD	
COc1ccc(O)c([C@@H](C)N[C@@H](CN)C2CC2)c1	817960401	MUSNBVPGYOBWCC-RNCFNFMXSA-N	250.342	1.789	10	20	CDCD	
C[C@@H](NC[C@H]1CNCCO1)c1cc(Cl)ccc1O	817982051	BFZTVXBQWXZLJL-MWLCHTKSSA-N	270.760	1.685	10	20	CDCD	
O=C(O)C[C@@H]1CCCN(C(=O)c2cc(O)cs2)C1	819370619	ANFTWZIBQNTOCV-QMMMGPOBSA-N	269.322	1.781	10	20	CDCD	
Oc1c(Cl)cccc1CN[C@H]1CCc2nnnn2CC1	817419012	OCQBMYDLEYBTDU-JTQLQIEISA-N	293.758	1.527	10	20	CDCD	
CNC(=O)C[C@H](C)NCc1c(O)ccc(Cl)c1F	825067989	HTUXUNGGVVUEIY-ZETCQYMHSA-N	274.723	1.799	10	20	CDCD	
Cn1cc(/C=C\C(=O)N2CCCc3ccnc(O)c32)cn1	823775336	ZKLFWXJKNDNWEI-PLNGDYQASA-N	284.319	1.513	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)C2(CN(C)C)CC2)c1	824903745	CCFVRNMVYIWWMS-UHFFFAOYSA-N	262.353	1.659	10	20	CDCD	
CN(C)c1ccc(CN(C(=O)[C@@H]2CC(=O)N2)C2CC2)cc1	821033298	OOGVIYCNJUYEOG-AWEZNQCLSA-N	287.363	1.132	10	20	CDCD	
COc1cc(O)ccc1NS(=O)(=O)CCCCF	901703909	LQGGOQOJVDJABV-UHFFFAOYSA-N	277.317	1.892	10	20	CDCD	
Cc1cc(C(=O)NC[C@H](N)c2ccc(N(C)C)cc2)on1	832286414	ZUIPLKPXSJXOAQ-ZDUSSCGKSA-N	288.351	1.479	10	20	CDCD	
COc1ccc(N(C)CCN2CCOC2=O)cc1OC	731103889	NHXHLKRESRXUCE-UHFFFAOYSA-N	280.324	1.592	10	20	CDCD	
O=C(O)CCCCNC(=O)NCc1ccccc1O	739670735	FHAJSKNJDDINRL-UHFFFAOYSA-N	266.297	1.446	10	20	CDCD	
NCCNC(=O)NCc1ccc(N2CCCC2)cc1	841710110	SRIRZQXEVTZTPS-UHFFFAOYSA-N	262.357	1.045	10	20	CDCD	
CN(C)c1ccc(CN(C)[C@H]2CCNC2)cc1F	843049180	IIDXZPPCBVJZSL-LBPRGKRZSA-N	251.349	1.685	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)COCC(=O)O	844248642	CVNNEWIUSMSISH-UHFFFAOYSA-N	281.308	1.232	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)[C@H](C)NC)cc1	848409910	AVHHPVICCWWEMR-LBPRGKRZSA-N	263.385	1.757	10	20	CDCD	
COc1cccc(CNC(=O)C[C@@H](C)CC(=O)O)c1O	911337885	YTNSEOUSCGWOLW-SECBINFHSA-N	281.308	1.518	10	20	CDCD	
COc1cc(O)c(CN2CCC[C@H](CN)C2)cc1OC	843047517	RVGVQDWZNXWFGV-LLVKDONJSA-N	280.368	1.580	10	20	CDCD	
Nc1ccc(Cc2noc(C[C@H]3COC(=O)C3)n2)cc1	843159442	PMLNBZQBOLJCQY-SNVBAGLBSA-N	273.292	1.348	10	20	CDCD	
CNC[C@@H]1C[C@H](F)CN1Cc1cc(F)cc(C(C)=O)c1O	843379675	ISJVRTZJEDZLNQ-STQMWFEESA-N	298.333	1.866	10	20	CDCD	
COc1cc(O)c(CN2CCC[C@@H](C)[C@@H]2CN)cc1OC	843051767	LNFNBNGTZMRYDJ-YPMHNXCESA-N	294.395	1.969	10	20	CDCD	
CCCCCNC(=O)C(=O)NCCc1ccc(N)cc1	842241756	JYGBGKXVBCQQHS-UHFFFAOYSA-N	277.368	1.234	10	20	CDCD	
Oc1ccccc1CN(Cc1cnon1)C[C@H]1CCCO1	851840932	MCLDPDXGICVZTC-CQSZACIVSA-N	289.335	1.956	10	20	CDCD	
CC[C@H](CN1CCOCC1)NCc1ccc2c(c1)CCO2	922588795	BMSKJVYVJDQQLF-MRXNPFEDSA-N	290.407	1.822	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCC[C@@H](Cn2ccnn2)C1	752630922	OYJFXKCDGGBRGS-SNVBAGLBSA-N	292.364	1.598	10	20	CDCD	
C[C@@H]1CN(C(=O)c2c(F)ccc(O)c2O)C[C@@]1(C)CO	857335005	OZOYSXZULKWEKU-CLAHSXSESA-N	283.299	1.327	10	20	CDCD	
C[C@H](C1CC1)N(C)S(=O)(=O)NCc1ccccc1O	751151979	ZHJBJOZKLQWVDV-SNVBAGLBSA-N	284.381	1.457	10	20	CDCD	
CC(C)(CO)[C@@H](NC(=O)c1cc(O)cs1)C1CC1	855037717	FLNPSOUIBXNYQY-NSHDSACASA-N	269.366	1.981	10	20	CDCD	
CC[C@H](NC(C)=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	867504156	SKKHRBAXYUDPQI-ABAIWWIYSA-N	291.395	1.845	10	20	CDCD	
Oc1cc2c(cc1CN1CCSCC1)[C@H](O)CO2	768439793	NJGAPWJYIMNRSD-GFCCVEGCSA-N	267.350	1.367	10	20	CDCD	
CC(=O)c1cc(O)ccc1NS(=O)(=O)N1CC[C@H](C)C1	766048624	UTMDGCBWNARZFX-VIFPVBQESA-N	298.364	1.593	10	20	CDCD	
CN(C)C[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1	779522573	UVWDZBAVHYARLX-BPJJOFIESA-N	290.363	1.521	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2cccc3nccn23)c1	770659688	UIRGOAFCGQSDHZ-UHFFFAOYSA-N	297.314	1.979	10	20	CDCD	
CC[C@H](CO)NCc1ccc(OC)c(Cn2cccn2)c1	873007141	IAFIVZPWWKRMCS-OAHLLOKOSA-N	289.379	1.801	10	20	CDCD	
Cc1ccc(CNCc2nc([C@@H]3CCCO3)n[nH]2)c(O)c1	877617110	KQHVWMZHMJPINW-ZDUSSCGKSA-N	288.351	1.960	10	20	CDCD	
CCOc1ccc(CN(C)[C@@H](C)C[S@](C)=O)c(O)c1	776522056	YFCAVZXPEKNSOY-WLRWDXFRSA-N	285.409	1.990	10	20	CDCD	
CC1(C)OC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)O1	779533579	YWJZKEGCKMSFRS-DUMNWFOQSA-N	293.319	1.379	10	20	CDCD	
CCc1nc(CC(=O)NCc2cccc(O)c2O)cs1	1123890424	YKILTJPNUANNAH-UHFFFAOYSA-N	292.360	1.976	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NCCO[C@@H]1CCOC1	885725196	UFLWBZPTMLBIFH-FXMSTWTQSA-N	293.319	1.033	10	20	CDCD	
CCN(C)c1ccc(CN(C)[C@@H]2CCN(C)C2=O)cc1	773753620	LPXFZQHZYAOHKY-OAHLLOKOSA-N	275.396	1.805	10	20	CDCD	
CC[C@@H](CO)NC(=O)N[C@H](C)c1ccc(N(C)C)cc1	776250948	YXXSIACCPKTKIU-YPMHNXCESA-N	279.384	1.884	10	20	CDCD	
Cc1ccc(CN2C[C@H](O)C[C@]2(C)CO)c(O)c1	895324460	KSTZPWGPKFIVHX-TZMCWYRMSA-N	251.326	1.018	10	20	CDCD	
CC(=O)N1C[C@@H]2CN(Cc3c(O)cccc3Cl)C[C@@H]2C1	895576265	MOFWLPVQXGCJGQ-TXEJJXNPSA-N	294.782	1.956	10	20	CDCD	
COc1ccc(CN[C@H]2C(=O)NCC2(C)C)c(O)c1OC	895434465	VXMQSGRWMUGKMY-ZDUSSCGKSA-N	294.351	1.024	10	20	CDCD	
COc1ccc(CNC(=O)NC[C@@H]2CCCOC2)c(O)c1	792838630	GARHFPCNUTZVED-NSHDSACASA-N	294.351	1.627	10	20	CDCD	
CCOc1cccc(CN2CCC(C(N)=O)CC2)c1O	75436232	LNHATMRNMYJCTF-UHFFFAOYSA-N	278.352	1.488	10	20	CDCD	
COC(CNC(=O)c1ccc(CN=[N+]=[N-])s1)OC	1537962843	GBBXSJKZYFNCCI-UHFFFAOYSA-N	270.314	1.907	10	20	CDCD	
COc1cccc(CN2CCS(=O)(=O)[C@@H](C)[C@H]2C)c1O	93560148	USUCHGCACZTXBD-MNOVXSKESA-N	299.392	1.408	10	20	CDCD	
COC1CN(Cc2ccc(N3CCN(C)CC3)c(F)c2)C1	1328222313	YFHIVIMXYTWHNC-UHFFFAOYSA-N	293.386	1.408	10	20	CDCD	
COCCN(CCOC)Cc1c(O)cccc1OC	768143289	QODPXFMSARKXBA-UHFFFAOYSA-N	269.341	1.496	10	20	CDCD	
CCCn1ncc(C(=O)NCc2ccc(O)c(O)c2)c1C	1338906412	VYZSVKVRWSLYEJ-UHFFFAOYSA-N	289.335	1.943	10	20	CDCD	
CCn1nnnc1N(Cc1ccc(N(C)C)cc1)C1CC1	1333674374	WDBIFFAHLHCOJA-UHFFFAOYSA-N	286.383	1.928	10	20	CDCD	
Nc1ccc(CNC(=O)N[C@H]2CCN(C3CC3)C2)cc1	1338733071	XPTSFFNOVAMQGY-ZDUSSCGKSA-N	274.368	1.305	10	20	CDCD	
COCC(C)(C)NC(=O)NCc1ccc(N)cc1	1346738149	DPYBIQXFBLZGJC-UHFFFAOYSA-N	251.330	1.493	10	20	CDCD	
CN(c1ccc(CNC(=O)CON)cc1)C1CCCCC1	1353518921	UTWXBFJXHXTNGB-UHFFFAOYSA-N	291.395	1.962	10	20	CDCD	
COCCN(CCC(=O)O)Cc1ccc(C)cc1O	1604604845	YDQALZSGZTVTRF-UHFFFAOYSA-N	267.325	1.624	10	20	CDCD	
O=C(O)C12CC(C(=O)NCc3cccc(Cl)c3O)(C1)C2	1601728971	VJKACRSRRVVWOD-UHFFFAOYSA-N	295.722	1.917	10	20	CDCD	
Cc1cc(O)c(CN2CC(C(=O)O)C2)cc1Cl	1574343213	JOUOPPBCWFVSCN-UHFFFAOYSA-N	255.701	1.870	10	20	CDCD	
Nc1ccc(CNC(=O)CNC(=O)c2cccc(O)c2)cc1	1580443540	ORYLWJYVHCIJFG-UHFFFAOYSA-N	299.330	1.021	10	20	CDCD	
Nc1ccc(NC(=O)[C@@H]2CC(c3ccccn3)=NO2)cc1	1580447876	OWBYKQPCRZDORZ-AWEZNQCLSA-N	282.303	1.796	10	20	CDCD	
C[C@H](N[C@@H]1CC[C@H](CN)C1)c1cc(C(=O)O)ccc1O	1593222554	KYMDPROZUMLTJC-JBLDHEPKSA-N	278.352	1.868	10	20	CDCD	
CN(C)c1ccc(OCC(=O)N2CCCC2)cc1C(=O)O	1598328457	NEHGMJIADWQCPN-UHFFFAOYSA-N	292.335	1.452	10	20	CDCD	
O=C(O)CCCCC(=O)NCc1ccc(O)c(O)c1	1595032640	CIUDYVKNEFFKPP-UHFFFAOYSA-N	267.281	1.359	10	20	CDCD	
COCCN(CC(F)F)C(=O)Cc1ccc(N)cc1	155128745	HBSNCXPKWXGUDY-UHFFFAOYSA-N	272.295	1.551	10	20	CDCD	
c1ncn(CCNCc2ccc3c(c2)CCCO3)n1	921605477	BLTAHXVVGMGUKF-UHFFFAOYSA-N	258.325	1.393	10	20	CDCD	
COCCc1noc(CN(C)Cc2ccc(N)cc2)n1	1120371392	XPYIETYMDKSOEZ-UHFFFAOYSA-N	276.340	1.473	10	20	CDCD	
CCN1CCC[C@H]1CNC(=O)c1cccc(O)c1O	126229669	DOQNZCHTDCIQRJ-JTQLQIEISA-N	264.325	1.312	10	20	CDCD	
COc1ccc(O)c(CN2CC[C@]3(CCN(C)C3)C2)c1	292887566	YMYOZIKPTOKDQK-INIZCTEOSA-N	276.380	1.928	10	20	CDCD	
C[C@H]1C[C@@H](NC(=O)c2cccc(O)c2O)CS1	397873549	UKEXBTLRYIJHGN-JGVFFNPUSA-N	253.323	1.722	10	20	CDCD	
C[C@H](O)CNC(=O)NCc1ccc2c(c1)CCCN2C	57650262	SUBIJTSCFYWMKK-NSHDSACASA-N	277.368	1.249	10	20	CDCD	
CC(=O)N(C)C1CCN(Cc2cc(F)ccc2O)CC1	179998002	ZLDOLMYCMUDLAF-UHFFFAOYSA-N	280.343	1.974	10	20	CDCD	
Cc1ccc(O)c(CN2CCC[C@@H](OCCO)C2)c1	179578981	KVGYASHYMKFKDR-CQSZACIVSA-N	265.353	1.674	10	20	CDCD	
Cn1nc(C2CC2)cc1CNC(=O)c1cc(O)cs1	1351823000	INRZDVWJMAQPJV-UHFFFAOYSA-N	277.349	1.995	10	20	CDCD	
COCC[C@@H](C)NC(=O)NCc1cccc(OC)c1O	174544807	WAOKHDQMQWMJBI-SNVBAGLBSA-N	282.340	1.625	10	20	CDCD	
O=C(NCc1ccc(N2CCOCC2)cc1)c1cc[nH]c1	68305497	MASKBDNODUWEPU-UHFFFAOYSA-N	285.347	1.781	10	20	CDCD	
CN(C)c1ccc(CN(CCS(C)(=O)=O)C2CC2)cc1	121622617	XNUYBVHHQXXQQD-UHFFFAOYSA-N	296.436	1.762	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CCn2ccccc2=O)cc1	75829263	PFFRTELBJDJOCO-UHFFFAOYSA-N	299.374	1.621	10	20	CDCD	
CO[C@@H](C)CCC(=O)N[C@H](C)Cc1ccc(O)c(O)c1	186443698	KJWQUXLJHQATSM-MNOVXSKESA-N	281.352	1.960	10	20	CDCD	
CCCCC[C@@H](C)NC=C1C(=O)N(C)C(=O)N(C)C1=O	48403056	PKVSFCBIGZMTGY-SNVBAGLBSA-N	281.356	1.479	10	20	CDCD	
COc1ccc(O)c(CN2CCS(=O)(=O)C[C@@H](C)C2)c1	192063359	MOQAZLHBCYJCTE-NSHDSACASA-N	299.392	1.267	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NCCCC(=O)N(C)C)c1	185194087	OKDBKRWYSFHYSP-LLVKDONJSA-N	280.368	1.920	10	20	CDCD	
C[C@H](NC[C@H](O)c1cnn(C)c1)c1ccc(F)cc1O	273572766	LCNSBQIEQMDDIA-XPTSAGLGSA-N	279.315	1.649	10	20	CDCD	
C[C@@H]1C[C@@H](NC(=O)NCc2ccccc2O)CCO1	271315702	XOUVVOWMJJYCRE-PWSUYJOCSA-N	264.325	1.759	10	20	CDCD	
C[C@@H](NC(=O)NCc1ccccc1O)c1ncn(C)n1	275602684	DZCLCNWUCYEPNS-SECBINFHSA-N	275.312	1.081	10	20	CDCD	
CCOc1cccc(CN2C[C@H](O)[C@H](CC)C2)c1O	271265163	IEENQVKFWGZWJY-YPMHNXCESA-N	265.353	1.994	10	20	CDCD	
O=C(NCc1ccccc1O)NO[C@@H]1CCCCO1	274943535	OEINEBAIOZUFTA-GFCCVEGCSA-N	266.297	1.650	10	20	CDCD	
Cn1cc2c(n1)CCC[C@@H]2NC(=O)c1cccc(O)c1O	282545354	RWILNQWCNOCVMM-NSHDSACASA-N	287.319	1.639	10	20	CDCD	
COc1cc(O)c(CN2CC[C@@](C)(C(N)=O)C2)cc1OC	280307220	PIPTZEUXFBGCNL-OAHLLOKOSA-N	294.351	1.107	10	20	CDCD	
CC(=O)C(=O)CSc1nnnn1-c1ccc(C)cc1	289620031	LODBEVSJGKFXRK-UHFFFAOYSA-N	276.321	1.221	10	20	CDCD	
CCN(CCOCCO)Cc1cc(OC)c(OC)cc1O	282779982	QHPZGNWGGPCVHF-UHFFFAOYSA-N	299.367	1.240	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)[C@H](C)CN	285659345	IUITUKHJOIFSOV-LLVKDONJSA-N	250.342	1.726	10	20	CDCD	
COC1(C)CN(c2ccc(/C=C/C(=O)O)cc2[N+](=O)[O-])C1	382911394	OMAUKSSGJXRKFB-GQCTYLIASA-N	292.291	1.918	10	20	CDCD	
COC[C@H](CO)N[C@H](C)c1ccc(F)c(F)c1O	290224392	RCUZQCPEJZDFDE-SFYZADRCSA-N	261.268	1.328	10	20	CDCD	
CC[C@H](NC[C@@H]1CNCCO1)c1ccccc1O	817982538	DZMQYRSDBGJOEE-AAEUAGOBSA-N	250.342	1.421	10	20	CDCD	
Cc1cc(CNC(C)(C)CC(N)=O)ccc1N(C)C	815092164	BCVINFKDWKFJLS-UHFFFAOYSA-N	263.385	1.805	10	20	CDCD	
C[C@H]1C[C@H](NCCN2CCNCC2)c2c(O)ccc(F)c21	817945081	TYYSZWRSRRPHBU-AAEUAGOBSA-N	293.386	1.574	10	20	CDCD	
CN(Cc1ccccc1O)Cc1cnc(N(C)C)n1C	822442970	LUEUVHJXEFWMRI-UHFFFAOYSA-N	274.368	1.824	10	20	CDCD	
CCCCNC(=O)[C@@H](C)OC(=O)c1ccc(C)c(O)c1O	727005684	VCYJFIXESDUHSU-SNVBAGLBSA-N	295.335	1.868	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@]2(F)CCNC2)c1	828667023	LTWORGPLZSJPQC-LKFCYVNXSA-N	282.315	1.280	10	20	CDCD	
COC(=O)c1cccc(/C=C2\SC(=S)NC2=O)n1	821023196	ZDFOVAOYURYUQZ-YVMONPNESA-N	280.330	1.357	10	20	CDCD	
CNC(=O)C[C@H](C)N[C@@H](C)c1cc(C(=O)OC)ccc1O	834898619	ABICIMYAIKHBJW-UWVGGRQHSA-N	294.351	1.354	10	20	CDCD	
O=C(NCc1c(O)ccc2c1CCCC2)[C@H]1CCN1	830597491	LCTBQTNQJOKMSV-CYBMUJFWSA-N	260.337	1.249	10	20	CDCD	
CCOC(=O)[C@H](C)[C@@H](C)NC(=O)c1cc(O)cs1	832119495	HBWMRMQAWHEJDW-HTQZYQBOSA-N	271.338	1.771	10	20	CDCD	
C[C@]1(C(=O)O)CCN(Cc2cc3c(cc2O)OC[C@H]3O)C1	833554041	MPZDNGSCXGLQNE-DOMZBBRYSA-N	293.319	1.115	10	20	CDCD	
CS[C@H]1CCN(C(=O)NCCc2ccc(N)cc2)C1	841955533	FYWWDIGIXXLCMH-ZDUSSCGKSA-N	279.409	1.958	10	20	CDCD	
COc1cccc([C@H](C)NC[C@H](O)c2cnn(C)c2)c1O	846143085	APNCLPQWPMRRLV-GWCFXTLKSA-N	291.351	1.519	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H]2CCN[C@H](C)C2)c1O	841062298	IUCMPKHLNYWOGL-MWLCHTKSSA-N	295.339	1.539	10	20	CDCD	
CN(C)c1ccc([C@H](N)CN[C@@H]2CCC[C@H](N)C2)cc1	848714638	FKOIIJQIMGHOLN-SQWLQELKSA-N	276.428	1.612	10	20	CDCD	
C[C@@H]1OCC[C@@]1(C)NC(=O)NCCc1ccc(N)cc1	841960987	YPGFLKSUSDUYBP-XHDPSFHLSA-N	277.368	1.678	10	20	CDCD	
C[C@@H]1NCCN(C(=O)NCc2ccc(N(C)C)cc2)[C@@H]1C	841652788	GDXRPQXUVBWIDI-QWHCGFSZSA-N	290.411	1.644	10	20	CDCD	
C[C@@H](CN)NC(=O)c1csc(Cc2ccc(N)cc2)n1	841850436	UTACRVVLMCVHIJ-VIFPVBQESA-N	290.392	1.393	10	20	CDCD	
CCCN1CC[C@H](NC(=O)c2c(F)ccc(O)c2O)C1	857329844	WWGUNAYRKSURAB-VIFPVBQESA-N	282.315	1.451	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NCc2cc(C)nn2C)c1	858434258	YJITVPTXJQZLCD-UHFFFAOYSA-N	288.351	1.742	10	20	CDCD	
CCOC(=O)[C@@H](C)NCc1cc(OC)c(OC)cc1O	763271208	FOGZUDJMXAWFDQ-SECBINFHSA-N	283.324	1.451	10	20	CDCD	
C[C@@H](NC(=O)NOC[C@H]1CCOC1)c1ccccc1O	868531665	COOZMXVQLLBGFO-MNOVXSKESA-N	280.324	1.721	10	20	CDCD	
CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1cc(O)cs1	766249280	IJFIRSCJCONUPE-BDAKNGLRSA-N	268.338	1.098	10	20	CDCD	
CN(C)c1ccc(CN2C[C@@H]3CNC[C@H]3C2)cc1F	770394988	OHZASDKXAPXTDX-STQMWFEESA-N	263.360	1.543	10	20	CDCD	
CCn1cc(NC(=O)c2c(F)ccc(O)c2O)cn1	789957909	ZQUJSELMYDKERT-UHFFFAOYSA-N	265.244	1.706	10	20	CDCD	
CC[C@H](CO)Nc1cc(NCc2ccccc2O)ncn1	892160660	BOGIIVCBKXNDDR-GFCCVEGCSA-N	288.351	1.977	10	20	CDCD	
C[C@H]1C[C@H](C(=O)NCc2ccc(N(C)C)cc2)CO1	784029710	FRUDOQGIULWECY-AAEUAGOBSA-N	262.353	1.794	10	20	CDCD	
CC[C@H](NC[C@@]1(O)CCN(C)C1)c1ccc(C)cc1O	794815304	OMTOEMYNVMPVGE-HOCLYGCPSA-N	278.396	1.808	10	20	CDCD	
COc1ccc(CNC(=O)c2cc(C)nnc2C)c(O)c1	794378496	UGSMMKMSRVFSNX-UHFFFAOYSA-N	287.319	1.738	10	20	CDCD	
CCN(Cc1cc(C)ccc1O)[C@@H](C)CS(C)(=O)=O	93391185	GZQYVDSNDCGPLL-LBPRGKRZSA-N	285.409	1.956	10	20	CDCD	
CNC(=O)CCN(C)Cc1cc(F)cc(F)c1O	708381420	AQCIVYVNXHPVHZ-UHFFFAOYSA-N	258.268	1.238	10	20	CDCD	
O[C@@H]1CCOC[C@H]1NCc1ccc(N2CCCC2)cc1	710889036	BATXCSAUWQKHIA-HZPDHXFCSA-N	276.380	1.526	10	20	CDCD	
CCOCCONC(=O)NCc1ccc(N)cc1	1335509501	MSJBADAOZUDBEU-UHFFFAOYSA-N	253.302	1.036	10	20	CDCD	
Nc1ccc(CC(=O)N2CCCC[C@@H]2CC(=O)O)cc1	694456845	UACXVKJNTDVERZ-CYBMUJFWSA-N	276.336	1.667	10	20	CDCD	
CC[C@@H](NCc1ccc(OC)c(C)c1)C(=O)NC	697859321	QVUQJYUJMJTHNK-GFCCVEGCSA-N	250.342	1.618	10	20	CDCD	
Cc1ccc(O)c(CNS(=O)(=O)c2c(C)cnn2C)c1	1261796547	GBNKOSAXZUWWEO-UHFFFAOYSA-N	295.364	1.221	10	20	CDCD	
CO[C@@H]1CC[C@H](C(=O)NCc2cccc(O)c2O)C1	1548791500	FYXLDJXENDYDOH-GXSJLCMTSA-N	265.309	1.529	10	20	CDCD	
O=C(NCc1c(O)cccc1O)c1ccc2c(c1)CNCC2	1580708420	PXWGPBDTVBJEMK-UHFFFAOYSA-N	298.342	1.674	10	20	CDCD	
C[C@@H](C(=O)O)C(=O)NCc1cc(Cl)ccc1O	1588573343	CPRIBFXVFYZPQM-ZCFIWIBFSA-N	257.673	1.383	10	20	CDCD	
CCCCN(CC(=O)NCC(=O)O)Cc1ccccc1O	1595742389	ZVMVPRVUGGAQAN-UHFFFAOYSA-N	294.351	1.195	10	20	CDCD	
CC[C@@H](CO)NCc1cc(Cl)cc(OC)c1O	166190714	SHTDSHVCSUBTGG-JTQLQIEISA-N	259.733	1.915	10	20	CDCD	
CCOC(C)(C)CNC(=O)c1cccc(O)c1O	159486579	SMOAKMUPZGXDJG-UHFFFAOYSA-N	253.298	1.643	10	20	CDCD	
CCc1ncncc1C(=O)NCCc1ccc(N)cc1	818546137	ZVJCNCRTNJHTKS-UHFFFAOYSA-N	270.336	1.594	10	20	CDCD	
C[C@@H]1NC[C@@H](C)N(C(=O)Cc2ccc(N)cc2)[C@H]1C	1122264622	TWLHJYZSFZWDSX-WOPDTQHZSA-N	261.369	1.409	10	20	CDCD	
CS[C@H](CO)[C@@H](C)NC(=O)Nc1ccc(N)cc1	841299689	HWOJWYLUROHMFR-LDYMZIIASA-N	269.370	1.503	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC[C@@H]2CCCNC2=O)c1	838913644	WBGZLFZJNVAYCM-MNOVXSKESA-N	278.352	1.578	10	20	CDCD	
CC1(C)[C@@H](NCc2cc(F)cc(F)c2O)C[C@H]1O	708435069	AUJUECXJHQQPSH-WDEREUQCSA-N	257.280	1.919	10	20	CDCD	
Oc1ccccc1CN1CCN(C[C@@H]2CCOC2)CC1	179583195	FABWQCLSFJWXRT-AWEZNQCLSA-N	276.380	1.546	10	20	CDCD	
COCCOCCC(=O)N(C)Cc1ccc(N(C)C)cc1	63264104	PPQAPIBZYGGBPM-UHFFFAOYSA-N	294.395	1.764	10	20	CDCD	
CN(C(=O)c1cccc(O)c1O)[C@@H]1CCSC1	126248221	MUSYAPBGESDPRD-MRVPVSSYSA-N	253.323	1.675	10	20	CDCD	
COc1cc(Cl)cc(CN2CCC(C(N)=O)CC2)c1O	184672277	DWAZMLZZGHVUTM-UHFFFAOYSA-N	298.770	1.752	10	20	CDCD	
COc1ccc(N2CCCN(C(=O)N(C)C)CC2)cc1	194258023	MMLHIMPNXBNXOF-UHFFFAOYSA-N	277.368	1.889	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CC(C)(C)N)cc1F	237056486	QTZWFDRPSRDZSS-UHFFFAOYSA-N	267.348	1.635	10	20	CDCD	
Cc1cccc(CN2CCN([C@H]3CCC[C@H]3O)CC2)c1O	362048114	VLTYXBHZVDDIRU-JKSUJKDBSA-N	290.407	1.732	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN(C)CC[C@H](C)O)c1O	278162043	DSBJFLVTJTVWPU-VIFPVBQESA-N	284.312	1.512	10	20	CDCD	
COC[C@@H](NCc1cc([N+](=O)[O-])ccc1O)[C@H]1CCCO1	278591115	GYEMRFQJSCGUCX-TZMCWYRMSA-N	296.323	1.584	10	20	CDCD	
C[C@@](O)(CNCc1cc([N+](=O)[O-])ccc1O)C(F)(F)F	270460552	FMLAYVRLEXDVRV-SNVBAGLBSA-N	294.229	1.703	10	20	CDCD	
CC[C@H](O)CN[C@@H](C)c1ccc(N2CCOCC2)cc1	281541352	BFXJCOBIDQSOJR-BBRMVZONSA-N	278.396	1.945	10	20	CDCD	
Oc1ccc(F)cc1CN1CC[C@](O)(C2CC2)C1	376040733	BZAPAWFNZDJITL-CQSZACIVSA-N	251.301	1.878	10	20	CDCD	
CN(CCC(N)=O)c1ccc(/C=C/C(=O)O)cc1[N+](=O)[O-]	381924375	OLHXJTROVVPNNT-HWKANZROSA-N	293.279	1.004	10	20	CDCD	
COCC[C@@H]1COCCN1Cc1cc(C)ccc1O	291243691	LLNSBFLKDVJOEW-CQSZACIVSA-N	265.353	1.938	10	20	CDCD	
COc1ccc(CNC(=O)[C@H](F)C(F)(F)F)c(O)c1	811484591	CRIBSDUYZQTRMM-VIFPVBQESA-N	281.205	1.917	10	20	CDCD	
CCCNCCN[C@H](C)c1cc(C(=O)OC)ccc1O	817963707	XGTFLSFJAQQVLM-LLVKDONJSA-N	280.368	1.829	10	20	CDCD	
COc1ccc(N(C)CCN(C)C(=O)[C@@H]2CCOC2)cc1	823947941	HRCVUVOHGBYOLZ-CYBMUJFWSA-N	292.379	1.626	10	20	CDCD	
Oc1cccc2c1[C@H](NCCN1CCCOCC1)CC2	903227736	NLXCXFGNWYECMZ-CQSZACIVSA-N	276.380	1.691	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)N[C@@H]1CC[C@H](C(=O)O)C1	831071545	CEIRPJSSBAOSAK-CMPLNLGQSA-N	292.335	1.787	10	20	CDCD	
CC[C@@H](C)OCC(=O)NC[C@@H](N)c1ccc(N(C)C)cc1	832267657	YNJRKYWMAKQIDY-IUODEOHRSA-N	293.411	1.684	10	20	CDCD	
CC(C)c1nn(C)cc1C(=O)NCc1ccc(O)cc1O	910952200	SIRMDFZEYYGVDI-UHFFFAOYSA-N	289.335	1.885	10	20	CDCD	
O=C(O)CN(Cc1cc(Cl)ccc1O)C(=O)C1CC1	911355716	ZSXWAFQJEHAALR-UHFFFAOYSA-N	283.711	1.869	10	20	CDCD	
Oc1c(F)cc(Cl)cc1CNC[C@@H]1CNCCO1	841098895	KBIQDNFFDLSLNF-JTQLQIEISA-N	274.723	1.263	10	20	CDCD	
C[C@H]1CC[C@H](CNC(=O)C(=O)Nc2ccc(N)cc2)C1	841121525	VSVKLHIBMIXJLJ-QWRGUYRKSA-N	275.352	1.760	10	20	CDCD	
O=C(NCc1ccccc1O)c1cc2c(nc1O)CCC2	748346287	UWENHIOVQAOYKX-UHFFFAOYSA-N	284.315	1.912	10	20	CDCD	
N[C@H]1CCC[C@H](NCc2cc3c(cc2O)OCO3)C1	841056153	YNHZNXCAFIWQDB-QWRGUYRKSA-N	264.325	1.480	10	20	CDCD	
C[C@@H]1NCCC[C@@H]1NC[C@H](N)c1ccc(N(C)C)cc1	925690377	JIXJTURINNOYEM-RCBQFDQVSA-N	276.428	1.483	10	20	CDCD	
Cc1ccc(C(=O)N2C[C@H]3[C@@H](O)CC[C@H]3C2)c(O)c1O	924016990	ORSIIUBNGXKIIW-WCQGTBRESA-N	277.320	1.249	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCO[C@@H]([C@@H]2CCCO2)C1	757422795	ACQJIFUWDXYAPW-WDEREUQCSA-N	283.349	1.474	10	20	CDCD	
CN(CC(C)(C)N)C(=O)NCc1ccc(N(C)C)cc1	851654550	DSPIWPPBPCOHRX-UHFFFAOYSA-N	278.400	1.631	10	20	CDCD	
Cc1ccc(O)c([C@H](C)NC[C@H](O)c2cnn(C)c2)c1	756608268	AATSQFSKTIZDRU-NHYWBVRUSA-N	275.352	1.818	10	20	CDCD	
CCN1CCN(Cc2ccc(N(C)C)cc2)CC1=O	758015876	QDAHQPKGDBUJDA-UHFFFAOYSA-N	261.369	1.417	10	20	CDCD	
C[C@@H](CN[C@H](C)c1ccc(F)cc1O)S(C)(=O)=O	697583671	UBRBXROQNOIQSO-DTWKUNHWSA-N	275.345	1.615	10	20	CDCD	
Cc1ccc(O)c(CN2CCN(C(C)(C)C(N)=O)CC2)c1	769501325	AXLQMRDJKMESHU-UHFFFAOYSA-N	291.395	1.082	10	20	CDCD	
c1cc(N2CCCCC2)ccc1CNC[C@@H]1COCCN1	863484112	UEIMPHLIPWKXRQ-MRXNPFEDSA-N	289.423	1.755	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)N[C@H](C)Cn2cccn2)c1	1119083788	KOUWCHXNYRFGCU-GFCCVEGCSA-N	288.351	1.785	10	20	CDCD	
COC1(C(=O)N(C)c2ccc(N)cc2)CCNCC1	877078762	DCTFLGCYTYDTAR-UHFFFAOYSA-N	263.341	1.000	10	20	CDCD	
COC[C@@]1(C(=O)O)CCN(Cc2cccc(Cl)c2O)C1	874042297	BQEORHFAYPBUKP-CQSZACIVSA-N	299.754	1.969	10	20	CDCD	
Cc1nnc(N[C@H](C)Cc2ccc(O)c(O)c2)nc1C	775531698	MOYICNNASHAPRF-MRVPVSSYSA-N	274.324	1.943	10	20	CDCD	
CCCOc1ccc(CNC[C@@H](O)COC)cc1C	873122503	SRFCMGCOASMUSN-CQSZACIVSA-N	267.369	1.881	10	20	CDCD	
Cc1cccc(O)c1CNC[C@@H](CO)[C@H]1CCOC1	877493480	BWHTWJGNXPRWLI-STQMWFEESA-N	265.353	1.435	10	20	CDCD	
C[C@@H]1CO[C@H](CO)CN1Cc1ccc(N(C)C)c(F)c1	770352543	OWVVWOCOQJAGHR-YPMHNXCESA-N	282.359	1.473	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[C@@H]1CCO	779283731	JNDHUPTVQHOAIF-FVOPLDGLSA-N	277.320	1.484	10	20	CDCD	
O=C1[C@H](NCc2cc(F)cc(F)c2O)C[C@H]2CCCCN12	883140065	IGVCBURYFLIZLV-DGCLKSJQSA-N	296.317	1.913	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@H](N)CC2CC2)cc1F	884205473	XTQNHHVLZYHGEV-ZDUSSCGKSA-N	279.359	1.635	10	20	CDCD	
COCc1noc([C@@H](C)OC(=O)c2cc(O)cs2)n1	785318077	VAALEDZRIPOKLC-ZCFIWIBFSA-N	284.293	1.901	10	20	CDCD	
C[C@@H](CN)CNC(=O)N[C@H](C)c1ccccc1O	892043602	DOMSKTPLNAUXSJ-VHSXEESVSA-N	251.330	1.347	10	20	CDCD	
C[C@@H](NC(=O)NCc1cn(C)cn1)c1ccccc1O	898616378	YTYVHLHMLOFHMV-SNVBAGLBSA-N	274.324	1.686	10	20	CDCD	
C[C@@](O)(CC(=O)OCC(=O)c1ccc(O)c(O)c1)C1CC1	784364590	GQZQVNHSELYWER-OAHLLOKOSA-N	294.303	1.375	10	20	CDCD	
COc1cc(C)cc(CNC[C@]2(OC)CCOC2)c1O	894469267	GJHCCHIJLILVBC-OAHLLOKOSA-N	281.352	1.604	10	20	CDCD	
COc1ccc(CNC(=O)Cn2cc(C)cn2)c(O)c1	794388809	AHFMJKBKHDVTFO-UHFFFAOYSA-N	275.308	1.222	10	20	CDCD	
COc1ccc(CNC(=O)[C@@H](O)C(C)(C)C)c(O)c1	794374777	YMWLOLWZZAZZBC-GFCCVEGCSA-N	267.325	1.424	10	20	CDCD	
CCOc1ccc(N2CCN(Cc3nc[nH]n3)CC2)cc1	1237612468	XJSWAERTBDIPHG-UHFFFAOYSA-N	287.367	1.526	10	20	CDCD	
COC(=O)COCC(=O)Nc1c(Cl)ccc2nonc12	1325346884	YQFFARCTBIWEDN-UHFFFAOYSA-N	299.670	1.004	10	20	CDCD	
Nc1ccc(CN2CCC(Cn3cncn3)CC2)cc1	1337837698	DCWPJPDFHVFVNB-UHFFFAOYSA-N	271.368	1.773	10	20	CDCD	
CN1CCC(NC(=O)NCc2ccc(N)cc2)CC1	1336734564	BXXBEAVGGDNPAH-UHFFFAOYSA-N	262.357	1.162	10	20	CDCD	
CCN1CCC[C@@H]1CN(C)C(=O)Cc1ccc(N)cc1	92621283	IQNWLRGCEVDCMW-OAHLLOKOSA-N	275.396	1.754	10	20	CDCD	
CC[C@H](C)[C@@H](O)CNC(=O)NCc1ccc(N)cc1	1335737513	QPOASTSQFSVFSW-GWCFXTLKSA-N	265.357	1.475	10	20	CDCD	
CCOC(=O)[C@@H](NCc1ccc(N)cc1)[C@@H]1CCCOC1	1345159182	CXNPYMRTTGPWJR-HIFRSBDPSA-N	292.379	1.717	10	20	CDCD	
C[C@@H](NC(=O)N[C@H]1CCOC1=O)c1ccccc1O	1346524531	RPZIMHXRKRRZSE-SCZZXKLOSA-N	264.281	1.068	10	20	CDCD	
NCC[C@H](NC(=O)NCc1ccc(N)cc1)C(F)F	1353501355	HZMLYUNXOHUKKL-JTQLQIEISA-N	272.299	1.051	10	20	CDCD	
O=C(O)C1=CC[C@H](NCc2cc3c(cc2O)OCO3)C1	1601739761	BSHRUFQZTOGHCN-JTQLQIEISA-N	277.276	1.384	10	20	CDCD	
COc1cc(C)c(CN[C@H]2C[C@H](C(=O)O)C2)c(O)c1	1594054210	OHWRXJMABFYTKR-MGCOHNPYSA-N	265.309	1.662	10	20	CDCD	
Oc1cc2c(cc1CN1CCO[C@@H](CF)C1)OCO2	840171853	PVNNGURJHSEJNJ-JTQLQIEISA-N	269.272	1.291	10	20	CDCD	
CC[C@@H]1CO[C@@H](C)CN1C(=O)c1cccc(O)c1O	126284134	KAMSWSGQRUHKMZ-VHSXEESVSA-N	265.309	1.737	10	20	CDCD	
C[C@H]1CCN[C@@H](C(=O)NCc2ccc(N(C)C)cc2)C1	126920241	QASAFGSDUBTUJW-SWLSCSKDSA-N	275.396	1.757	10	20	CDCD	
C[C@H](N[C@@H]1COCC[C@H]1O)c1cc(F)ccc1O	710892953	YBMDSRVYANIGPN-RLCGTCKNSA-N	255.289	1.332	10	20	CDCD	
N#Cc1cncc(S(=O)(=O)Nc2ccc(O)cc2F)c1	383285462	LWEPOQXZSKSBRT-UHFFFAOYSA-N	293.279	1.599	10	20	CDCD	
COc1cccc(CNC[C@H](CO)C(C)C)c1O	394026967	FVIQVFGSLLBMNY-GFCCVEGCSA-N	253.342	1.755	10	20	CDCD	
C[C@@H](NC(=O)CCCC(=O)O)c1ccccc1O	1119606680	KIJWUSJTHUJGSO-SECBINFHSA-N	251.282	1.824	10	20	CDCD	
CC(C)(O)CNCc1cc(Cl)cc([N+](=O)[O-])c1O	111385750	NPTAWSSFZQFONG-UHFFFAOYSA-N	274.704	1.814	10	20	CDCD	
COC[C@H](C)NC(=O)NCc1ccc(N(C)C)cc1C	115780484	OWQWBXDEMIGCSY-LBPRGKRZSA-N	279.384	1.895	10	20	CDCD	
COCCN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1	20551041	ZHIREPSNSCRSLT-LBPRGKRZSA-N	282.359	1.959	10	20	CDCD	
COCCS(=O)(=O)N(C)Cc1ccc(N(C)C)cc1	129783343	VTSOOROQYAWJRN-UHFFFAOYSA-N	286.397	1.161	10	20	CDCD	
C[C@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)CCO1	31728244	OAEBETJBESRVME-LBPRGKRZSA-N	277.368	1.683	10	20	CDCD	
COc1ccc(O)c([C@H](C)NCC(=O)N(C)C2CC2)c1	182405193	BAPKXSQQJMXJRA-JTQLQIEISA-N	278.352	1.672	10	20	CDCD	
CNC(=O)NCc1ccc(N2CCSCC2)cc1	46905907	NVYAJIGRQJQJGH-UHFFFAOYSA-N	265.382	1.669	10	20	CDCD	
C[C@H](CS(C)(=O)=O)N(C)Cc1ccc(N(C)C)cc1	93384196	RLZMBNNYGFJLBL-GFCCVEGCSA-N	284.425	1.618	10	20	CDCD	
C[C@@H]1[C@@H](C)S(=O)(=O)CCN1Cc1ccccc1O	179577991	DZNCMRCKHZVIPK-GHMZBOCLSA-N	269.366	1.400	10	20	CDCD	
COC[C@H](CCO)N[C@H](C)c1cc(F)ccc1O	230663361	WGAKKSAYBYWBKG-KOLCDFICSA-N	257.305	1.579	10	20	CDCD	
COC(=O)[C@@]1(F)CCN(Cc2ccccc2O)C1	271254591	GKYPSDYLQNAMMY-CYBMUJFWSA-N	253.273	1.479	10	20	CDCD	
O=[N+]([O-])c1cc(Cl)cc(CN2CCC[C@@H](O)C2)c1O	270986476	FZWRCUYZKZJENX-SNVBAGLBSA-N	286.715	1.911	10	20	CDCD	
COCC[C@H](CO)NCc1ccc(N(C)C)c(F)c1	282169975	JFOACFNHLPLAOU-GFCCVEGCSA-N	270.348	1.379	10	20	CDCD	
Cc1ccc(C(=O)N2CC[C@H](n3cccn3)C2)c(O)c1O	298271720	NUZOZMLWMKBAAB-NSHDSACASA-N	287.319	1.690	10	20	CDCD	
CC(=O)C(=O)COC(=O)c1cnn(Cc2ccccc2)c1	808491118	LJOYJSRYUKMXCL-UHFFFAOYSA-N	286.287	1.246	10	20	CDCD	
CCN(CC(F)F)C(=O)c1c(F)ccc(O)c1O	294954740	MVKQUCQFCMWUQU-UHFFFAOYSA-N	263.215	1.964	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)NCCC(=O)O	818176348	MUFQICKDAMNWQY-UHFFFAOYSA-N	280.324	1.789	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H](N)CC(F)F)c1	828666696	HNWOQRLJTUOSCX-XVKPBYJWSA-N	288.294	1.561	10	20	CDCD	
Cc1cccc(CNC[C@@H]2CCCN2CCCO)c1O	824565472	WOPGESXFLBHHKY-HNNXBMFYSA-N	278.396	1.637	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)NCc2cn(C)cn2)c1	903351541	LTVZANKNVIDCHP-SNVBAGLBSA-N	289.335	1.763	10	20	CDCD	
C[C@H](NC(=O)[C@@H]1CCNC1=O)c1ccc(N(C)C)cc1	832430523	FXHLQXDYMAKUFF-GXFFZTMASA-N	275.352	1.066	10	20	CDCD	
C[C@@]1(CNCc2cccc(Cl)c2O)CCC(=O)N1	835060055	IFFCJZMWQRXZCX-ZDUSSCGKSA-N	268.744	1.804	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)[C@H](C)NC	848397693	JNBROGQPJFUQET-NSHDSACASA-N	250.342	1.739	10	20	CDCD	
Cc1cc(CN(C)[C@H](C)C(=O)O)ccc1N(C)C	846224597	SWXGZICLICKAFL-LLVKDONJSA-N	250.342	1.966	10	20	CDCD	
CN(C)c1ccc([C@@H](N)CNC2CCC(CN)CC2)cc1	841040890	BPYIQMRAYIYBBO-PGEKIEPBSA-N	290.455	1.860	10	20	CDCD	
COc1cc(O)c(CNC[C@@H]2CCCNC2)cc1OC	841032623	IFMQAPRJQDCMCY-LLVKDONJSA-N	280.368	1.499	10	20	CDCD	
CCN(CC)C(=O)CNCc1cc(C)c(C)cc1O	742368177	XRJOGANAQYLCDW-UHFFFAOYSA-N	264.369	1.967	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)[C@@H]1CC1(Cl)Cl	910951981	NOORIJUHPHGYGD-QMMMGPOBSA-N	276.119	1.908	10	20	CDCD	
CC[C@@H](CNC(=O)NCCc1ccc(N)cc1)OC	841915719	XRZYBIPYQUPRSE-ZDUSSCGKSA-N	265.357	1.536	10	20	CDCD	
Oc1c(F)cc(Cl)cc1CNC[C@@H]1CNCCCO1	841087781	WNHKNZHLKBYVST-NSHDSACASA-N	288.750	1.653	10	20	CDCD	
COC(=O)[C@@H]1C[C@H](O)CN(Cc2cc(C)c(C)cc2O)C1	843433834	DZSRJBXOVYCMKW-KGLIPLIRSA-N	293.363	1.365	10	20	CDCD	
CCOc1ccc(CNC[C@@H]2C[C@H](F)CN2)c(O)c1	841078575	JAGHELHKTMSCGF-RYUDHWBXSA-N	268.332	1.581	10	20	CDCD	
COCc1nc(COC(=O)c2cc(O)cs2)no1	759521890	HETPKIYTNHYBSU-UHFFFAOYSA-N	270.266	1.340	10	20	CDCD	
C[C@H](O)CCNC(=O)N[C@H](C)c1ccc(N(C)C)cc1	759168480	ZQUVZIQPZGAPFG-NWDGAFQWSA-N	279.384	1.884	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)Cn1cc(C)cn1	935947024	RMZSLRVJTAKIBQ-UHFFFAOYSA-N	294.351	1.699	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@H]2CCCN2C2CC2)c1	862755043	BCQCUJRRPDGQQC-CQSZACIVSA-N	274.364	1.944	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)CN(C)[C@H]2CCSC2)c1	862757833	FUZQHCNCYZGXOV-ZDUSSCGKSA-N	294.420	1.754	10	20	CDCD	
CCOC(C)(C)C(=O)NCc1cc(OC)ccc1O	866767332	PVQIQUZKFCYTLS-UHFFFAOYSA-N	267.325	1.832	10	20	CDCD	
CCCN1CC(=O)N[C@H]1c1cc(F)c(N(C)C)cc1F	864386755	ATPCBYUTYYNYKH-CQSZACIVSA-N	283.322	1.871	10	20	CDCD	
Cc1cccc(O)c1CNC[C@@H]1CCCS(=O)(=O)C1	877533474	OTVCDZLIESQDDX-LBPRGKRZSA-N	283.393	1.615	10	20	CDCD	
CCc1cccc(CNCCC[S@@](C)=O)c1O	691520517	DJXIUJVJEBVSMR-QGZVFWFLSA-N	255.383	1.813	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1ccn(C)n1	773751338	PFCMNKJLOFZKMI-SNVBAGLBSA-N	289.335	1.121	10	20	CDCD	
CC(=O)NCCNC(=O)N[C@H](C)c1ccc(N(C)C)cc1	773611742	KBIRFRLKOHBTDU-LLVKDONJSA-N	292.383	1.249	10	20	CDCD	
C[C@H](C(=O)NCc1ccc(N2CCCC2)cc1)N(C)C	874001278	CQYMXQABBFOIFH-CYBMUJFWSA-N	275.396	1.853	10	20	CDCD	
CCN(C)c1ccc(CN(C)[C@]2(CO)CCOC2)cc1	773829315	AUTKBSLNVNTVPZ-INIZCTEOSA-N	278.396	1.726	10	20	CDCD	
CCC[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)OC	779544711	MYPFKPXNSGYINR-LXSSAFMLSA-N	293.319	1.569	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1C[C@@H](O)C[C@@]1(C)CO	895323177	AFMMPUMHHPBVLL-HOTGVXAUSA-N	278.396	1.379	10	20	CDCD	
COc1cc(Cl)cc(CN[C@H]2C(=O)NCC2(C)C)c1O	895326101	ZNBZJXNHNKRIPF-LBPRGKRZSA-N	298.770	1.668	10	20	CDCD	
COc1ccc(CNC[C@@H](O)c2ccco2)c(O)c1OC	892517557	OFUSYWYTEXUEEH-LLVKDONJSA-N	293.319	1.826	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)NCCC(C)(C)N)c1	892860619	JRWWHSLBCKDNEQ-SNVBAGLBSA-N	295.383	1.888	10	20	CDCD	
O=C(OC[C@H]1CCC[C@H](O)C1)c1cccc(O)c1O	795535026	NCXRBWVKOQFQES-UWVGGRQHSA-N	266.293	1.806	10	20	CDCD	
CCOC(=O)C1(C(=O)NCc2ccc(OC)cc2O)CC1	794378352	DRHMPEVMLFXGFF-UHFFFAOYSA-N	293.319	1.360	10	20	CDCD	
CC(C)C[C@H](N)C(=O)N[C@H](C)c1ccccc1O	870988587	UEVWDSFQUIPSFY-PWSUYJOCSA-N	250.342	1.943	10	20	CDCD	
CN(Cc1ccccc1O)c1ncccc1S(C)(=O)=O	302772499	CULGHVALPCYTRU-UHFFFAOYSA-N	292.360	1.827	10	20	CDCD	
Nc1ccc(CCNC(=O)N2CC[C@@](O)(C3CC3)C2)cc1	1326132127	HTHBKWFYIOGUJN-INIZCTEOSA-N	289.379	1.368	10	20	CDCD	
CC1(C)C[C@@H](O)CCN(C(=O)NCc2ccc(N)cc2)C1	1336290187	IWHZPBFXFPBEPO-AWEZNQCLSA-N	291.395	1.961	10	20	CDCD	
CNC[C@H](C)NC(=O)N[C@H](C)c1ccccc1O	1333600703	LFMJLVNLTKMPPV-VHSXEESVSA-N	251.330	1.360	10	20	CDCD	
COc1ccc(O)c(CN2CCC[C@H](C)[C@H]2CN)c1	70175458	KIRIKKWBIQMVND-SMDDNHRTSA-N	264.369	1.960	10	20	CDCD	
COc1cccc(O)c1CN1CCN(C(C)=O)CC1	768137006	KDQCJEBCFVHVKQ-UHFFFAOYSA-N	264.325	1.065	10	20	CDCD	
C[C@@H](N[C@H]1CCC(=O)NC1=O)c1ccc(N(C)C)cc1	89752074	RDTRPYAQZIMGHC-MFKMUULPSA-N	275.352	1.208	10	20	CDCD	
C[C@H]1OCCN(C(=O)NCc2ccc(N)cc2)[C@@H]1C	1337070421	QKFHSCRMHZZEDA-GHMZBOCLSA-N	263.341	1.588	10	20	CDCD	
CC(=O)NC1CCC(C(=O)Nc2ccc(N)cc2)CC1	1263061221	JVRHNQQZGANFNM-UHFFFAOYSA-N	275.352	1.902	10	20	CDCD	
CN(CC(C)(C)C)C(=O)C(=O)NCCc1ccc(N)cc1	1261383261	HTWOJBBUSVAVIP-UHFFFAOYSA-N	291.395	1.432	10	20	CDCD	
CN1CCCC[C@@H]1CNC(=O)NCc1ccccc1O	1341266267	UHQAMVQLRZRSMV-CYBMUJFWSA-N	277.368	1.676	10	20	CDCD	
C[C@@H](C[S@@](C)=O)NCc1cc(F)c(N(C)C)cc1F	1351507540	MILGLVHJHBOUBY-ZRNGKTOUSA-N	290.379	1.887	10	20	CDCD	
O=C(C[C@H]1CCCCO1)NCc1cccc(O)c1O	1528771653	SOMDZMWURVZXOM-LLVKDONJSA-N	265.309	1.673	10	20	CDCD	
CO[C@H]1CC[C@@H](C(=O)NCc2cccc(O)c2O)C1	1548791501	FYXLDJXENDYDOH-KOLCDFICSA-N	265.309	1.529	10	20	CDCD	
C[C@H](NCC[C@@H](O)C(F)F)c1cc(C(=O)O)ccc1O	1593261114	KOMNAEVPVYDKQV-WRWORJQWSA-N	289.278	1.757	10	20	CDCD	
CCc1nn(C)cc1CNCc1ccc(C(=O)O)cc1O	1776991065	AVLISQMYNHNYEI-UHFFFAOYSA-N	289.335	1.676	10	20	CDCD	
CN(C)c1ccc(CN2[C@H](C(=O)O)CC[C@@H]2C(=O)O)cc1	1777039400	VNHARNUSZQUANJ-BETUJISGSA-N	292.335	1.255	10	20	CDCD	
CC[C@@H](C)NC(=O)CCNCc1cc(OC)ccc1O	38013887	NOSXIRZXYAIUSC-LLVKDONJSA-N	280.368	1.795	10	20	CDCD	
C[C@H]1C[C@H](NCc2cc3c(cc2O)OCO3)CCN1C	90720543	LLOXYNQZLBDAQZ-CMPLNLGQSA-N	278.352	1.693	10	20	CDCD	
Cn1nncc1CNCc1cc(F)cc(F)c1O	708517418	OREIDYYEBWBMAN-UHFFFAOYSA-N	254.240	1.089	10	20	CDCD	
C[C@H](N[C@H](CO)C[C@@H]1CCCO1)c1ccccc1O	886667938	KXZMAUIBFZZNQN-AVGNSLFASA-N	265.353	1.973	10	20	CDCD	
COc1cccc(CN2CC[C@@](C)(CN)C2)c1O	310989445	HKNBVBFOEXZBSV-AWEZNQCLSA-N	250.342	1.572	10	20	CDCD	
COC(=O)C1CCN(Cc2cc3c(cc2O)OCO3)CC1	7075338	NGUKMHFXIGANLM-UHFFFAOYSA-N	293.319	1.506	10	20	CDCD	
CCOCCNC(=O)NCc1ccc(N(C)C)cc1C	115660247	VJBLWUSWHRZBLM-UHFFFAOYSA-N	279.384	1.897	10	20	CDCD	
CCOC(=O)CN(C)Cc1cc(OC)ccc1O	179672976	QILMTNCWVWGFOH-UHFFFAOYSA-N	253.298	1.396	10	20	CDCD	
COCCC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	117975998	PLTVJOUHKAFLQL-CQSZACIVSA-N	293.363	1.936	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2cnc(C)cn2)c1	78726256	VPEQFAOLSGJBFY-UHFFFAOYSA-N	273.292	1.429	10	20	CDCD	
CO[C@]1(CNCc2c(O)cccc2Cl)CCOC1	122902667	UYJQSMPRWLLLJN-ZDUSSCGKSA-N	271.744	1.941	10	20	CDCD	
CCN(CC)c1ccc(CNS(=O)(=O)N(C)CC)cc1	72708285	AHWWQKPAIBHDIW-UHFFFAOYSA-N	299.440	1.819	10	20	CDCD	
COC[C@H](O)CN[C@H](C)c1cc(OC)ccc1O	71264712	KRWZMSONFIPEKQ-NXEZZACHSA-N	255.314	1.059	10	20	CDCD	
CC[C@H](N[C@H](C)c1ccccc1O)C(=O)N1CCOCC1	183547641	FTHRPIQNRPSJDJ-OCCSQVGLSA-N	292.379	1.680	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NCC1(CO)CCC1	182281151	RLXNKHMQOGTZKV-HWKANZROSA-N	277.320	1.390	10	20	CDCD	
Oc1ccccc1CN1CC[C@@H](CN2CCOCC2)C1	179580071	DJDUVHJZLRUMMG-AWEZNQCLSA-N	276.380	1.546	10	20	CDCD	
Nc1ccc(NC(=O)C[C@@H]2CSCCN2)cc1	237857133	GYMGSAKDFCXCLX-LLVKDONJSA-N	251.355	1.302	10	20	CDCD	
Cc1c(C(=O)N(C)Cc2ccccc2O)nnn1C	266613920	UNZITNKZLIQYNU-UHFFFAOYSA-N	260.297	1.101	10	20	CDCD	
Oc1ccc(Cl)cc1CN1C[C@H]2CNC[C@@H]2C1	90320077	JDOGFVMHDJHUKM-GHMZBOCLSA-N	252.745	1.697	10	20	CDCD	
CC[C@@H](COC)NC(=O)c1c(F)ccc(O)c1O	276658194	XPGYNQYCEKKNCB-ZETCQYMHSA-N	257.261	1.392	10	20	CDCD	
COc1cccc(CN2CC[C@@H]3CCN(C)C[C@H]32)c1O	272539150	BWNPYRFSHRAYFB-GXTWGEPZSA-N	276.380	1.927	10	20	CDCD	
COc1ccc(N(C)Cc2cnnn2C)cc1F	272530108	MTTWTOXLAHQQRO-UHFFFAOYSA-N	250.277	1.599	10	20	CDCD	
CN(Cc1cccc(Cl)c1O)[C@@H]1COC[C@H]1O	289623649	LQPSPLNQTBGUCI-GHMZBOCLSA-N	257.717	1.237	10	20	CDCD	
C[C@H](CCO)CCNC(=O)c1c(F)ccc(O)c1O	295345665	IFCZSRJUCIUYLB-QMMMGPOBSA-N	271.288	1.375	10	20	CDCD	
CCCC(=O)N1CCC[C@@H]1C(=O)NCc1ccc(N)cc1	297243768	QBTJHRLDBPHRQH-CQSZACIVSA-N	289.379	1.676	10	20	CDCD	
CN(C[C@H]1CCCN1C)C(=O)NCCc1ccc(N)cc1	817878005	LJAYXHSWDVXFML-OAHLLOKOSA-N	290.411	1.547	10	20	CDCD	
C[C@H](NC[C@H](C)CN)c1ccc(N2CCOCC2)c(F)c1	817962442	MHYMKMWVTWFNDD-OLZOCXBDSA-N	295.402	1.908	10	20	CDCD	
C[C@H]1CCN(CCNC(=O)c2cc(O)cs2)C1	829440857	NEAJPFYFDAGAFK-VIFPVBQESA-N	254.355	1.525	10	20	CDCD	
CN(CCO[C@@H]1CCOC1)c1ccc(OCC(=O)O)cc1	903904301	JAUHQFPEBUJSEM-CQSZACIVSA-N	295.335	1.392	10	20	CDCD	
C[C@@H](C[C@H]1CCOC1)NC(=O)c1c(F)ccc(O)c1O	826908889	HBZCOHCEKREFKR-DTWKUNHWSA-N	283.299	1.782	10	20	CDCD	
CO[C@H]1COCC[C@H]1CNC(=O)c1ccc(C)c(O)c1O	836814936	NKIZZKKGRNTHTN-JQWIXIFHSA-N	295.335	1.188	10	20	CDCD	
Cn1ncc(C2CC2)c1C(=O)NCc1ccc(O)c(O)c1	830559332	NBXILJYILFFQHS-UHFFFAOYSA-N	287.319	1.639	10	20	CDCD	
C[C@H](NCCN1CCCOCC1)c1ccc(F)cc1O	903229300	XPAOBFBLQXMEFN-LBPRGKRZSA-N	282.359	1.904	10	20	CDCD	
CNC(=O)c1cccc(CNC(=O)c2cc(O)cs2)c1	732269872	WOZSYXXTMXQUKU-UHFFFAOYSA-N	290.344	1.743	10	20	CDCD	
CC[C@@H]1CC[C@@H](C(=O)NCc2ccc(O)cc2O)O1	910950866	LHJLWCSNWQIKPR-YPMHNXCESA-N	265.309	1.672	10	20	CDCD	
CN1CCC[C@@H](NCc2cc([N+](=O)[O-])ccc2O)C1=O	748242830	SBJNPWFOYHVADP-LLVKDONJSA-N	279.296	1.011	10	20	CDCD	
COc1cc(O)c(CN[C@H](C)CCN)cc1OC	841052677	VTVJNMKWTRDRJF-SECBINFHSA-N	254.330	1.236	10	20	CDCD	
COc1cc(O)c(CN2C[C@@H](C)N[C@H](C)C2)cc1OC	843049949	ZOEHKBWRCURMRQ-GHMZBOCLSA-N	280.368	1.592	10	20	CDCD	
C[C@@H](NC(=O)NCCNC1CC1)c1ccc(N(C)C)cc1	841882849	OWBMSHXCPLLPNI-GFCCVEGCSA-N	290.411	1.865	10	20	CDCD	
Cn1cc([C@H](O)CNCc2c(O)cccc2Cl)cn1	742376262	OSEKARTUEQPJTL-CYBMUJFWSA-N	281.743	1.602	10	20	CDCD	
C[C@H](CCCO)CNC(=O)NCCc1ccc(N)cc1	841955856	PVZFWZAUXYWVAI-GFCCVEGCSA-N	279.384	1.519	10	20	CDCD	
CO[C@H](C(=O)NCc1ccc(O)cc1O)C1CCCC1	910942940	IVCRAENFTWJBHO-AWEZNQCLSA-N	279.336	1.919	10	20	CDCD	
Cc1nc(O)[nH]c1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	847759462	BPYDAQXVHWUEFL-VIFPVBQESA-N	288.351	1.981	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N(C)[C@@H](C)CN	841826165	DOJRWRLBSFSCMS-LBPRGKRZSA-N	278.400	1.550	10	20	CDCD	
CNC(=O)C[C@H](C)NC(=O)NCc1cc(Cl)ccc1O	845240707	WAWDWHJDHVFGPK-QMMMGPOBSA-N	299.758	1.369	10	20	CDCD	
CC[C@@H]1[C@@H](C)CCN1C(=O)C(=O)Nc1ccc(N)cc1	841094428	YYNHWCRMRMUHGZ-GXFFZTMASA-N	275.352	1.854	10	20	CDCD	
CCc1cccc(CNCc2nc(N(C)C)no2)c1O	848904026	JBZPBGNCOYHVSI-UHFFFAOYSA-N	276.340	1.693	10	20	CDCD	
CN(Cc1ccc(N2CCOCC2)cc1)CC(C)(C)N	843060877	QKUZKRKENVUJHM-UHFFFAOYSA-N	277.412	1.692	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N1CC[C@@H]2C[C@@H]2C1	856064280	WOOVFYYFXJYGSV-DNDCWNJCSA-N	259.305	1.979	10	20	CDCD	
Cn1cnc(/C=C/C(=O)N2C[C@H](O)Cc3ccccc32)c1	935712760	CIIIQKMEQDYSGU-PSKZRQQASA-N	283.331	1.384	10	20	CDCD	
Cc1cccc(O)c1CNCCNC(=O)c1ccco1	876909637	DIOMXYRKYMIUFD-UHFFFAOYSA-N	274.320	1.813	10	20	CDCD	
CC[C@H](C)N(CC)C(=O)C(=O)N(C)Cc1ccccc1O	1118527923	VSTHRCRSHGBISR-LBPRGKRZSA-N	292.379	1.998	10	20	CDCD	
Cc1cc(CN2C[C@H](O)C[C@]2(C)CO)ccc1N(C)C	878982271	YPTJDKUVAWXTSM-GDBMZVCRSA-N	278.396	1.379	10	20	CDCD	
C[C@@H](NC(=O)[C@@H]1CN(C)CCO1)c1ccc(N(C)C)cc1	773020892	XWRGQWVWCGDWLA-DOMZBBRYSA-N	291.395	1.260	10	20	CDCD	
Cc1cccc(O)c1CN1CC[C@@H](C)S(=O)(=O)CC1	877479601	WQGILNSBNXOXFL-GFCCVEGCSA-N	283.393	1.710	10	20	CDCD	
C[C@@H](NC(=O)N1CCN(C)CC1)c1ccc(N(C)C)cc1	776237445	HCVPPPHAFBXVME-CYBMUJFWSA-N	290.411	1.771	10	20	CDCD	
CC[C@@H](COC)NC(=O)NCc1ccc(N)cc1	1120514251	QDSLOBZGUZQLMY-LBPRGKRZSA-N	251.330	1.493	10	20	CDCD	
CCOCCN(CC)C(=O)NCc1ccc(N)cc1	1120591924	MNCRXSDVRHUUOE-UHFFFAOYSA-N	265.357	1.837	10	20	CDCD	
COc1ccc(CNC(=O)[C@H](O)c2cccnc2)c(O)c1	794377944	NOEBHIRBUACEQR-CQSZACIVSA-N	288.303	1.146	10	20	CDCD	
CC(=O)c1cc(O)ccc1NS(=O)(=O)c1ccoc1	795345804	QLAXCUOKAGJMRN-UHFFFAOYSA-N	281.289	1.989	10	20	CDCD	
CCOCCOC[C@H](O)CN[C@@H](C)c1ccc(C)cc1O	790756991	INYDWZUJQWCZLC-UONOGXRCSA-N	297.395	1.765	10	20	CDCD	
Nc1ccc(CC(=O)N[C@H]2C[C@H](N)C23CCC3)cc1	1514645999	PBFSXRBFIBEEJK-STQMWFEESA-N	259.353	1.197	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CCC(O)CC2)c1O	50132261	XRMJICUIDNHUQS-UHFFFAOYSA-N	267.300	1.691	10	20	CDCD	
C[C@@H](OC[C@H]1CCCO1)C(=O)Nc1ccc(N)cc1	19278126	OQWSANZPYKPZGK-ZWNOBZJWSA-N	264.325	1.791	10	20	CDCD	
CN(CC(=O)Nc1nccs1)Cc1ccccc1O	109773123	RWEBPBGJGRYOGT-UHFFFAOYSA-N	277.349	1.919	10	20	CDCD	
CC[C@@H](CCO)CNCc1cccc(OC)c1O	94949344	YHOQPMUPQYNYFR-NSHDSACASA-N	253.342	1.899	10	20	CDCD	
Oc1cccc(Br)c1CN1CCOCC1	707172052	RMOVXOBKLFZSDM-UHFFFAOYSA-N	272.142	1.987	10	20	CDCD	
Cc1noc(C)c1S(=O)(=O)Nc1ccc(O)cc1F	85203919	BXCJVYVEEARZIK-UHFFFAOYSA-N	286.284	1.937	10	20	CDCD	
CCC(=O)NC1CCN(C(=O)c2cc(O)cs2)CC1	1347328790	VKVWEYKBTMYJST-UHFFFAOYSA-N	282.365	1.585	10	20	CDCD	
CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@H]1C[C@@H]1F	1347045322	ZMLBILYENJBKEC-RYUDHWBXSA-N	295.310	1.642	10	20	CDCD	
O=C(O)c1cnc(SCC2(O)CCOCC2)s1	1602537662	ZSVLUXFZLVHPFQ-UHFFFAOYSA-N	275.351	1.475	10	20	CDCD	
O=C(O)[C@@H](C[C@@H]1CCCO1)NCc1cc(F)ccc1O	1601640801	FMQQAHHGDASHPN-NWDGAFQWSA-N	283.299	1.643	10	20	CDCD	
O=C(O)[C@@H]1OCC[C@@H]1NCc1cc(F)cc(F)c1O	1602202420	AVZBQMFMKYKIMX-GXSJLCMTSA-N	273.235	1.002	10	20	CDCD	
Cc1cccc(CN2CCSC[C@H](C(=O)O)C2)c1O	1610522179	TWVMVSAPKMYOON-GFCCVEGCSA-N	281.377	1.950	10	20	CDCD	
C[C@@H](C(=O)O)N(C(=O)c1cc(O)cs1)C1CC1	1588589821	SYPVHLXSGKZMDG-LURJTMIESA-N	255.295	1.531	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1C[C@@H](C(=O)O)C1	1592881969	CWLLCZYAPAZOCY-INTQDDNPSA-N	293.319	1.256	10	20	CDCD	
COc1cc(Cl)cc(CN[C@@H](C)C[S@@](C)=O)c1O	169096638	NWAHGJXHOZKCBH-ASCAZGACSA-N	291.800	1.911	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CCNC(=O)C2)c1	151546228	ZZGRDMODFVNGDY-NXEZZACHSA-N	292.335	1.104	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)c1ccccc1O	11639216	KFHXVNUGAVAMHW-UHFFFAOYSA-N	273.288	1.776	10	20	CDCD	
COc1ccc(N(C)CC(=O)NC[C@@H]2CCCO2)cc1	844353457	OJCVFOPWMYTZMV-AWEZNQCLSA-N	278.352	1.427	10	20	CDCD	
Cc1ccc(CNC(=O)Cc2ccc(N)cc2)n1C	36810600	VLEVMZSELHGERX-UHFFFAOYSA-N	257.337	1.775	10	20	CDCD	
COCC[C@](C)(O)CNCc1ccc2c(c1)CCO2	172070314	KAQHFCHXDROZTQ-HNNXBMFYSA-N	265.353	1.499	10	20	CDCD	
CC[C@@H](N[C@@H]1COC[C@H]1OC)c1ccccc1O	842912695	UXTUDYDDUFUUPT-YRGRVCCFSA-N	251.326	1.847	10	20	CDCD	
CNC(=O)C1(C(=O)NCCCSc2nccs2)CC1	114376050	QWSQAQCIOBCWOF-UHFFFAOYSA-N	299.421	1.268	10	20	CDCD	
CN(C)C(=O)N1CCN(C(=O)Nc2ccc(N)cc2)CC1	401782827	DQEKTCYHYSPYRC-UHFFFAOYSA-N	291.355	1.100	10	20	CDCD	
COC(=O)[C@@H](CNC(=O)Cc1ccc(N)cc1)CC(C)C	178606417	QAYHHBSJIBRWOJ-CYBMUJFWSA-N	292.379	1.763	10	20	CDCD	
CC(=O)NC[C@H]1CN(Cc2ccc(N(C)C)cc2)CCO1	179707464	LKLBXFHFMUDOSB-INIZCTEOSA-N	291.395	1.090	10	20	CDCD	
Cc1cc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)n(C)n1	183438752	MHWBNZQVZMWUHM-SECBINFHSA-N	289.335	1.501	10	20	CDCD	
CCCCN(CC(N)=O)C(=O)/C=C/c1ccc(O)c(O)c1	180653535	CUYQUJMNYLRTMB-FNORWQNLSA-N	292.335	1.225	10	20	CDCD	
O=[N+]([O-])c1ccc(O)c(CNCC2(CO)CCCC2)c1	185801523	GCLSRITZNHKXOK-UHFFFAOYSA-N	280.324	1.943	10	20	CDCD	
COC(=O)[C@@H]1C[C@H](O)CN1Cc1cccc(Cl)c1O	188613610	UREQYHPJCYFKLL-ONGXEEELSA-N	285.727	1.154	10	20	CDCD	
COc1cc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)on1	186435043	WSFZBCKSDZLVLX-QMMMGPOBSA-N	292.291	1.455	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)C[C@@H]1CCNC1	130923972	FSLXNAWZGSDDGU-LBPRGKRZSA-N	289.379	1.478	10	20	CDCD	
CC(=O)N[C@@H]1CCN(Cc2cc(F)ccc2O)C1	232561777	QYIRWYJQIRVONL-GFCCVEGCSA-N	252.289	1.242	10	20	CDCD	
CSCC[C@@H](O)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	274941018	PMPBIVLJEFZIMM-JOYOIKCWSA-N	299.392	1.259	10	20	CDCD	
O=C1CCCN1[C@@H]1CCN(Cc2ccccc2O)C1	276829274	QVHMVBLNVFYXMG-CYBMUJFWSA-N	260.337	1.589	10	20	CDCD	
CNC(=O)[C@H](C)N[C@@H](C)c1cc(Cl)ccc1O	291959455	RRJAHYDJCUDXTN-YUMQZZPRSA-N	256.733	1.831	10	20	CDCD	
Cn1nncc1NC(=O)NCCCSc1nccs1	809900106	LFOBTYBMVHPORF-UHFFFAOYSA-N	298.397	1.576	10	20	CDCD	
Cc1ccc(C(=O)O[C@@H](C)c2nncn2C)c(O)c1O	805433283	PVGMCNRLZJOGCL-QMMMGPOBSA-N	277.280	1.453	10	20	CDCD	
C[C@H](NC[C@@H](O)CN(C)C1CC1)c1ccc(N(C)C)cc1	809981042	XTQKXNWQHHJULL-SUMWQHHRSA-N	291.439	1.858	10	20	CDCD	
O=C(C[C@@H]1CCCS(=O)(=O)C1)NCc1ccccc1O	815833416	MIBKRJQZIGZQFW-NSHDSACASA-N	297.376	1.223	10	20	CDCD	
C[C@@H](NC(=O)[C@@H]1CCOC(=O)N1)c1ccccc1O	827952095	GHVSUHKVAIRTRG-SCZZXKLOSA-N	264.281	1.068	10	20	CDCD	
CC[C@H](CCO)CNC(=O)c1c(F)ccc(O)c1O	826843320	LNDPPIOAULEIMS-MRVPVSSYSA-N	271.288	1.375	10	20	CDCD	
CCONC(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1	822580292	UNAWPPUFBYGHLS-LBPRGKRZSA-N	293.367	1.772	10	20	CDCD	
C[C@@H](NC(=O)[C@H]1CCCCN(C)C1=O)c1ccccc1O	827957331	UHUGNOYYFXTDFJ-DGCLKSJQSA-N	290.363	1.828	10	20	CDCD	
CCOC(=O)[C@@H]1CCCN(C(=O)c2cc(O)cs2)C1	731866780	XXKNICIEGUGBRB-SECBINFHSA-N	283.349	1.869	10	20	CDCD	
CN(C)c1ccc([C@H](N)CNC[C@@]2(C)CCCNC2)cc1	904353417	MAIGCMNSLCMCRJ-SJORKVTESA-N	290.455	1.732	10	20	CDCD	
C[C@H](NC(=O)[C@@H]1CCCN1C=O)c1ccc(N(C)C)cc1	832431807	VFUSRBBRKCTSJD-WFASDCNBSA-N	289.379	1.551	10	20	CDCD	
O=C(O)[C@H](NCc1ccc2c(c1)CCO2)[C@@H]1CCCOC1	901833652	UTDYRUYSEFDTQC-UKRRQHHQSA-N	291.347	1.591	10	20	CDCD	
CC(C)C[C@H](O)CNC(=O)NCCc1ccc(N)cc1	841953573	APYXGGZSFZIYEJ-AWEZNQCLSA-N	279.384	1.518	10	20	CDCD	
C[C@H](C(=O)NCc1ccc(O)cc1O)N1CCSCC1	910949122	FONPNGXGZSVARJ-SNVBAGLBSA-N	296.392	1.151	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC[C@@H](CO)[C@H]1CCOC1	840940596	ADZUNDWIQIOHFL-HOTGVXAUSA-N	292.423	1.796	10	20	CDCD	
COc1cc(O)c(CN[C@H]2CCCNC2)cc1OC	841043078	OJSFSLOYGIJZDF-NSHDSACASA-N	266.341	1.251	10	20	CDCD	
C[C@@H](N)[C@@H]1CCN(Cc2cc3c(cc2O)OCO3)C1	843057010	FERAKTLXGSZXRH-NXEZZACHSA-N	264.325	1.290	10	20	CDCD	
CCn1ccc(CC(=O)NCCc2ccc(N)cc2)n1	846664874	DLKIMVMZQIRNCW-UHFFFAOYSA-N	272.352	1.387	10	20	CDCD	
COCCc1noc(CN(C)C(=O)c2cc(O)cs2)n1	759099114	REZLITGXWRGWAD-UHFFFAOYSA-N	297.336	1.298	10	20	CDCD	
C[C@H]1COC[C@H]1NC(=O)NCc1cc(Cl)ccc1O	926021691	BCHBIHUDQJZJDK-GZMMTYOYSA-N	284.743	1.880	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2NCCC2(C)C)c1	852885121	NFWKYTCSNIMRHS-QMTHXVAHSA-N	292.379	1.966	10	20	CDCD	
COC[C@@H](C)CNC(=O)NCc1cc(C)ccc1O	858191261	WQWWBFVDBPCSNR-NSHDSACASA-N	266.341	1.782	10	20	CDCD	
C[C@H](NC(=O)Nc1nnn(C)n1)c1ccc(N(C)C)cc1	932260400	JAXHHPHKSSJYJO-VIFPVBQESA-N	289.343	1.159	10	20	CDCD	
CC[C@H](N[C@@H]1COC[C@@H]1O)c1cc(Cl)ccc1O	866419638	GPLTYXMDERFQPJ-LOWVWBTDSA-N	271.744	1.846	10	20	CDCD	
CC(C)(C(N)=O)C(=O)NCc1ccc(N2CCCC2)cc1	767588889	XMORLBBVCOXKFV-UHFFFAOYSA-N	289.379	1.415	10	20	CDCD	
COc1cc(NS(=O)(=O)c2cnc(C)n2C)ccc1O	863408116	JWKWOVNQQWALGQ-UHFFFAOYSA-N	297.336	1.244	10	20	CDCD	
COC(=O)C1CC(NCc2ccc3c(c2)CCO3)C1	877721582	SGPJPZWZEFVEAE-UHFFFAOYSA-N	261.321	1.663	10	20	CDCD	
O=[N+]([O-])c1ccc(O)c(CN[C@H]2C[C@@H](CO)C2)c1	865662456	CDLOKNBCVNWNNS-WAAGHKOSSA-N	252.270	1.161	10	20	CDCD	
CN(C)c1ccc(CNc2cnn(CCO)c2)cc1F	776252104	HJRSXPFXMBJFGL-UHFFFAOYSA-N	278.331	1.693	10	20	CDCD	
COc1ccc(O)c(CN2CCN(C(C)(C)CO)CC2)c1	775703783	YFDRUIGNIQJHNF-UHFFFAOYSA-N	294.395	1.289	10	20	CDCD	
O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(F)nc1	777467540	MYVJAGKZGDAIRB-WQLSENKSSA-N	283.262	1.682	10	20	CDCD	
CNC(=O)[C@@H]1CCC[C@@H]1NCc1cccc(C)c1O	776253513	XDZLQDFDIMFEHI-OLZOCXBDSA-N	262.353	1.705	10	20	CDCD	
CC(C)OC(=O)CCNC(=O)/C=C\c1ccc(O)c(O)c1	779493276	MRALWKZUVHOJLV-XQRVVYSFSA-N	293.319	1.569	10	20	CDCD	
Cc1ccc(O)c(NC(=O)c2cccc(O)c2O)n1	788673137	NSRXHXGWDIDQKG-UHFFFAOYSA-N	260.249	1.759	10	20	CDCD	
CSc1nnc(CNC(=O)c2cccc(O)c2O)s1	783877334	WMOZPUDAVDBIRP-UHFFFAOYSA-N	297.361	1.601	10	20	CDCD	
COc1ccc(CN[C@H]2CCCC[C@@H]2O)c(O)c1OC	893719271	KAZQEMACAUJLNR-RYUDHWBXSA-N	281.352	1.803	10	20	CDCD	
C[C@H]1CN(Cc2c(O)cccc2Br)C[C@@H]1O	897679385	JUAXSUKOIDRTFR-UFBFGSQYSA-N	286.169	1.967	10	20	CDCD	
COc1ccc(CN[C@H](CO)CC(C)C)c(O)c1OC	892669030	OORFMWDRVXYDTM-LBPRGKRZSA-N	283.368	1.906	10	20	CDCD	
COc1ccc(CNC(=O)C2(O)CCSCC2)c(O)c1	794377964	NZWHSEBLRBQSAZ-UHFFFAOYSA-N	297.376	1.275	10	20	CDCD	
CN(C)c1ccc(CN(C)c2ccc(C(=O)O)nn2)cc1	1151588093	GQBNNDNTPYKQRN-UHFFFAOYSA-N	286.335	1.877	10	20	CDCD	
Cc1ccc(O)c([C@H](C)NC[C@H]2COCCO2)c1	38060815	XVFDLGQVYUCQPD-RYUDHWBXSA-N	251.326	1.767	10	20	CDCD	
COc1ccc(O)c(CN[C@@H](CO)CC(C)C)c1	40775112	QFUUEVHBSNTJBV-GFCCVEGCSA-N	253.342	1.897	10	20	CDCD	
CCc1cccc(CN2CCS(=O)(=O)CC2)c1O	709299062	MEYPKTPTQHLZAV-UHFFFAOYSA-N	269.366	1.185	10	20	CDCD	
OCCCNCc1cc(Br)cc(F)c1O	715712233	JZSFSEJEVWYRBX-UHFFFAOYSA-N	278.121	1.766	10	20	CDCD	
CCN(CC)C(=O)CNCc1c(O)cccc1OC	725848636	ZLRQMIHDIJVJMI-UHFFFAOYSA-N	266.341	1.359	10	20	CDCD	
CO[C@H]1COCC[C@@H]1CNC(=O)c1c(F)ccc(O)c1O	1330676381	HRLKPCJYBGMAOZ-KCJUWKMLSA-N	299.298	1.018	10	20	CDCD	
CN(C)c1ccc(CNc2cc(=O)n(C)c(O)n2)cc1F	1336502803	YQUJUSKHHIJAFB-UHFFFAOYSA-N	292.314	1.303	10	20	CDCD	
CC(C)C[C@@H](CN)NC(=O)NCc1ccc(N)cc1	1357667619	GSUVFNJUMHRJLW-ZDUSSCGKSA-N	264.373	1.441	10	20	CDCD	
Cc1nccn1CCNC(=O)NCc1ccc(N)cc1	1356609976	WDYKHRPRDITKIX-UHFFFAOYSA-N	273.340	1.273	10	20	CDCD	
Cc1cc(CN(CCC(=O)O)CC(=O)O)ccc1N(C)C	1607640423	NCQDNZOSBDVCCL-UHFFFAOYSA-N	294.351	1.422	10	20	CDCD	
CCOc1ccc(O)c(CN2C[C@H](O)C[C@@H](C(=O)O)C2)c1	1610043609	WWJPVFKGCOQQEN-VXGBXAGGSA-N	295.335	1.058	10	20	CDCD	
C[C@H](C(=O)O)C(=O)NCc1ccc2cccnc2c1O	1588573390	DSNWJGAYDTVJBZ-QMMMGPOBSA-N	274.276	1.277	10	20	CDCD	
COCCN(CC(=O)O)Cc1ccc(F)c(F)c1O	1593999593	FVZAENYQDYTAPP-UHFFFAOYSA-N	275.251	1.203	10	20	CDCD	
CO[C@@](C)(C(=O)O)C(=O)NCc1cccc(Cl)c1O	1593926077	APXNBPKWHFBWKM-GFCCVEGCSA-N	287.699	1.152	10	20	CDCD	
COC(=O)[C@H]1CN(Cc2cc(C)ccc2O)C[C@@H]1C(=O)O	1598828156	OHJWWYAASYKDEZ-RYUDHWBXSA-N	293.319	1.006	10	20	CDCD	
CO[C@H]1CN(Cc2ccc(N(C)C)cc2)CC[C@H]1C(=O)O	1777173141	RNXVLWKIQBELNE-CABCVRRESA-N	292.379	1.674	10	20	CDCD	
COc1ccc(CNC[C@H]2CNCCO2)cc1C	258963433	SAQJLDFLZZKAOP-CYBMUJFWSA-N	250.342	1.082	10	20	CDCD	
COc1ccc(O)c([C@@H](C)N[C@H]2COC[C@H]2OC)c1	839194617	CJVGDUOKCVJHBI-LJWDBELGSA-N	267.325	1.465	10	20	CDCD	
Cc1nn(CC(=O)c2ccc(O)c(O)c2)c(C)c1[N+](=O)[O-]	7391500	OEFAMAVELGPFES-UHFFFAOYSA-N	291.263	1.702	10	20	CDCD	
CN1C[C@@H](NCc2cc(Cl)ccc2O)CC1=O	310395399	LWPGMBJWIHPMBJ-JTQLQIEISA-N	254.717	1.366	10	20	CDCD	
COC(=O)N1CC(N[C@H](C)c2ccc(F)cc2O)C1	186137313	BPYHTLQFKBUEHL-MRVPVSSYSA-N	268.288	1.633	10	20	CDCD	
Cc1cccc(CN[C@@H](C)CCN2CCN(C)CC2)c1O	186596885	RCMIHGAOSVCLCZ-HNNXBMFYSA-N	291.439	1.816	10	20	CDCD	
Cc1cc(O)ccc1NS(=O)(=O)c1cn(C)cn1	78005209	YNQPHQXBUUVHDX-UHFFFAOYSA-N	267.310	1.235	10	20	CDCD	
CCC[C@]1(C)C(=O)NCCN1Cc1cccc(OC)c1O	189038614	YYHPNYPIWWCKAD-MRXNPFEDSA-N	292.379	1.891	10	20	CDCD	
Nc1ccc(CC(=O)N[C@H]2CC23CCNCC3)cc1	368646313	IWJGFTORGHIBAP-ZDUSSCGKSA-N	259.353	1.070	10	20	CDCD	
C[C@H](O)CC(C)(C)CNC(=O)NCc1ccccc1O	73939354	SZDBAPNYFHMOBM-NSHDSACASA-N	280.368	1.989	10	20	CDCD	
Cc1ccc(C(=O)N2CCCO[C@@H](C)C2)c(O)c1O	182312480	XHGVEBYHKOQBPP-JTQLQIEISA-N	265.309	1.657	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc[nH]c1	186384809	MGAXYGBBROXLBV-VIFPVBQESA-N	260.293	1.787	10	20	CDCD	
Cc1ncc(C(=O)NCCc2ccc(O)c(O)c2)c(C)n1	180708888	ZBIHULSIYUUBOQ-UHFFFAOYSA-N	287.319	1.477	10	20	CDCD	
CCN(CC(N)=O)Cc1cc(Cl)cc([N+](=O)[O-])c1O	188062994	RPFCLWQPKINPRW-UHFFFAOYSA-N	287.703	1.261	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cnsn1	183448024	LOODTYBYSFQPBQ-ZETCQYMHSA-N	279.321	1.310	10	20	CDCD	
Cc1cc(O)c(CN2CCN(C(=O)[C@H](C)O)CC2)cc1C	93706545	ZWYOHLPEENOPCZ-ZDUSSCGKSA-N	292.379	1.034	10	20	CDCD	
C[C@@H]1CN(Cc2ccc(N(C)C)cc2)C[C@H]1C(=O)O	235363601	LHJOFYGOJCBXME-BXUZGUMPSA-N	262.353	1.905	10	20	CDCD	
CC[C@@H](C(=O)NCc1ccc(N(C)C)cc1)C(=O)OC	276625694	LLJWDAXVYXSSAW-ZDUSSCGKSA-N	278.352	1.568	10	20	CDCD	
COc1ccc(N2CCN(c3nnc(C)o3)CC2)cc1F	288082059	ZISHVZXESXJAAD-UHFFFAOYSA-N	292.314	1.852	10	20	CDCD	
C[C@H](CCCO)CNC(=O)NCc1ccc(N(C)C)cc1	296500888	XXQWHOUINLHGHR-CYBMUJFWSA-N	293.411	1.960	10	20	CDCD	
CC(C)[C@@H](C(=O)OCC(=O)c1ccc(O)c(O)c1)N(C)C	803493643	PMVHWSQQSQSXAH-AWEZNQCLSA-N	295.335	1.410	10	20	CDCD	
COc1ccc(O)c(CNC(=O)CCC(C)=O)c1	800519332	PGDUPKNRGKBFLA-UHFFFAOYSA-N	251.282	1.386	10	20	CDCD	
C[C@H](NC[C@H](O)CN(C)C1CC1)c1ccc(N(C)C)cc1	809981041	XTQKXNWQHHJULL-GUYCJALGSA-N	291.439	1.858	10	20	CDCD	
Cc1cc(C)c([C@@H](C)NCc2cnnn2C)c(O)c1	294364371	QNJLTNQHMIXHOC-LLVKDONJSA-N	260.341	1.988	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)C[C@@H]1CCC(=O)N1	816914361	NYPYUZDRYUHOBW-ZDUSSCGKSA-N	290.363	1.800	10	20	CDCD	
O=C(O)[C@H]1CCCCN1C(=O)c1cc(O)cs1	821509060	RBEDCNXGVOXIAI-MRVPVSSYSA-N	255.295	1.533	10	20	CDCD	
C[C@H]1CNCCN1Cc1cc(Br)ccc1O	722398635	OVVBREJLVPEBHM-VIFPVBQESA-N	285.185	1.948	10	20	CDCD	
CN(CC1(O)CCC1)C(=O)c1c(F)ccc(O)c1O	828423542	XBRGTJWVRRABNC-UHFFFAOYSA-N	269.272	1.224	10	20	CDCD	
CCn1nncc1CN(C)c1ccc(OC)c(OC)c1	838797264	MAZZMTPEGCQNDV-UHFFFAOYSA-N	276.340	1.952	10	20	CDCD	
COc1ccc(CNC(=O)C2(CN)CCCC2)c(O)c1	832178228	OOJVHCWHXNWBBY-UHFFFAOYSA-N	278.352	1.536	10	20	CDCD	
Cc1cc(CN2CC[C@@H](O)[C@H](CO)C2)ccc1N(C)C	839665047	GLJSIWJQFKWVFX-GOEBONIOSA-N	278.396	1.236	10	20	CDCD	
COC(=O)NCCCC(=O)NCc1cc(OC)ccc1O	734016974	SREAWXAHVOETFT-UHFFFAOYSA-N	296.323	1.153	10	20	CDCD	
CCc1nc(COC(=O)c2cc(O)cs2)no1	733497065	QRWHSNXBIXTGTQ-UHFFFAOYSA-N	254.267	1.756	10	20	CDCD	
Cc1ccc(C(=O)NC[C@@H]2CC[C@H](C)O2)c(O)c1O	837282815	MMPLSTMILMZNMO-UWVGGRQHSA-N	265.309	1.704	10	20	CDCD	
CC(C)(C)[C@H](N)CC(=O)NCCc1ccc(N)cc1	911783725	XXCCYFWKQRWNCD-CYBMUJFWSA-N	263.385	1.691	10	20	CDCD	
COC[C@@]1(CNCc2ccc(N(C)C)cc2)CCCN1	841066525	MMIPOUNFPNPZAI-INIZCTEOSA-N	277.412	1.611	10	20	CDCD	
C[C@@H](N)[C@H]1CCN(Cc2ccc(N3CCOCC3)cc2)C1	843058709	WVENNANUNGTFAJ-ZBFHGGJFSA-N	289.423	1.692	10	20	CDCD	
CN1CC[C@@H]2[C@H](CCCN2C(=O)Cc2ccc(N)cc2)C1	843490979	PGOZQDRVRFMKJZ-GDBMZVCRSA-N	287.407	1.754	10	20	CDCD	
CC(C)NC(=O)CCNC(=O)c1cc(O)cs1	746682000	GLZVVTSCFFJBNR-UHFFFAOYSA-N	256.327	1.098	10	20	CDCD	
N[C@@H]1CCCN(Cc2cc(Cl)cc([N+](=O)[O-])c2O)C1	843044208	YGDBSQFGSMXFKF-SNVBAGLBSA-N	285.731	1.877	10	20	CDCD	
CCC(=O)N[C@@H](C)C(=O)NCc1cc(Cl)ccc1O	846473522	SPGUEIXNVIYOOV-QMMMGPOBSA-N	284.743	1.577	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)c1cc(C(N)=O)c[nH]1	749529095	ATJLOCSCZXKJLP-UHFFFAOYSA-N	273.292	1.091	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CCCCN2)c1	843489695	RZQJCSVXCUMTEP-MFKMUULPSA-N	278.352	1.720	10	20	CDCD	
COc1ccc(N(C)CCN(C)C(=O)N[C@H](C)CN)cc1	846173798	UAMGDRXDWXRTOM-GFCCVEGCSA-N	294.399	1.120	10	20	CDCD	
C[C@@H]1COC[C@H]1NC(=O)N(C)Cc1ccccc1O	925991856	JBMNJTDBEHZXMJ-ZYHUDNBSSA-N	264.325	1.569	10	20	CDCD	
COC[C@H](CCO)N[C@@H](C)c1cc(F)cc(F)c1O	756591935	HEURIXRPYASKRE-WPRPVWTQSA-N	275.295	1.718	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@H]2CCCN(C(N)=O)C2)c1	862760438	TXVHYGSWHZXUBA-NSHDSACASA-N	291.351	1.108	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)C1(F)CCOCC1	866757545	YCKFXTDVYSYGRR-UHFFFAOYSA-N	283.299	1.275	10	20	CDCD	
COC(=O)C[C@H](C)CC(=O)NCc1cc(C)ccc1O	862755339	FEKOMMMQXMTYSS-LLVKDONJSA-N	279.336	1.906	10	20	CDCD	
CCN(CC)C(=O)CNCc1ccc(N(C)C)cc1	71122529	VYOWQNCPPSRAGP-UHFFFAOYSA-N	263.385	1.711	10	20	CDCD	
CN(C(=O)[C@@]1(C(F)(F)F)CCNC1)c1ccc(N)cc1	877074974	WTXBXESLSZIALL-GFCCVEGCSA-N	287.285	1.774	10	20	CDCD	
C[C@@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)NC1CC1	772774336	IEHZCZPFEIKRSQ-XKEGTWDPSA-N	291.303	1.321	10	20	CDCD	
CN(CCCF)CC(=O)NCc1ccc(N(C)C)cc1	887139936	KEQFQYXBVSKQAH-UHFFFAOYSA-N	281.375	1.660	10	20	CDCD	
CO[C@@H](C)CNCc1ccc(N2CCN(C)CC2)cc1	785561580	YIVUWVHIZIXWKV-AWEZNQCLSA-N	277.412	1.563	10	20	CDCD	
CC[C@@H](CN1CCOCC1)NCc1cc(OC)ccc1O	896622072	SYOLOVDNDADUSU-AWEZNQCLSA-N	294.395	1.601	10	20	CDCD	
Cc1ccc(O)c(CN2C[C@@H](O)C[C@]2(C)CO)c1	895332626	XBXBMGRAIFLJQR-GXTWGEPZSA-N	251.326	1.018	10	20	CDCD	
COCCCN(CCO)Cc1c(O)cccc1OC	783730945	XFQUJNAXSQBHKK-UHFFFAOYSA-N	269.341	1.232	10	20	CDCD	
COC[C@H](C)CNCc1ccc(OC)c(OC)c1O	892733540	WJOFRAWVEMOJBY-SNVBAGLBSA-N	269.341	1.782	10	20	CDCD	
COc1ccc(CN2C[C@@H](C)N(C)C[C@H]2C)c(O)c1OC	893669271	LSPGNJZXLQRISI-VXGBXAGGSA-N	294.395	1.934	10	20	CDCD	
Nc1ccc(CC(=O)N[C@@H]2C[C@H](N)C23CCC3)cc1	1514645997	PBFSXRBFIBEEJK-QWHCGFSZSA-N	259.353	1.197	10	20	CDCD	
Nc1ccc(CC(=O)N2CC[C@@]3(CCNC3)C2)cc1	82698426	BKYUXXNNYGXWCD-OAHLLOKOSA-N	259.353	1.023	10	20	CDCD	
C[C@H](NC(=O)[C@H]1CC[C@H]1C(=O)O)c1ccccc1O	1594238035	KQCJVJMKDQILSQ-INTQDDNPSA-N	263.293	1.680	10	20	CDCD	
CCc1cccc(CN[C@@H]2CCC(=O)N(C)C2=O)c1O	691460402	QZZSCOHVQLNICS-GFCCVEGCSA-N	276.336	1.192	10	20	CDCD	
Oc1cc2c(cc1CNCCOC1CCC1)OCO2	690704832	DOXDBLQTEWIABE-UHFFFAOYSA-N	265.309	1.780	10	20	CDCD	
CC[C@@H](C)N(CC)C(=O)C(=O)NCCc1ccc(N)cc1	1329838616	SZHZQNKKBMHQHJ-GFCCVEGCSA-N	291.395	1.575	10	20	CDCD	
CCOc1ccc(N2CCN([C@@H](C)C(N)=O)CC2)cc1	1320233967	XSDNRRUAGXMZDT-LBPRGKRZSA-N	277.368	1.081	10	20	CDCD	
CN(C)c1ccc(CNC[C@](C)(CO)CC(=O)O)cc1	1334853008	MJZKSYZSGXDALG-OAHLLOKOSA-N	280.368	1.316	10	20	CDCD	
COc1cccc(O)c1CNCC1=CCN(C)CC1	776259082	ZXNNPZZMMRRIBW-UHFFFAOYSA-N	262.353	1.752	10	20	CDCD	
CC[C@@H](NC(C)=O)C(=O)Nc1c(Cl)ccc2nonc12	1333171404	XGKKUSUZFARBKR-MRVPVSSYSA-N	296.714	1.729	10	20	CDCD	
Cc1ccc(O)c(CN(C)[C@H](C)CS(C)(=O)=O)c1	93384963	NRVZLVFOJMNPKC-LLVKDONJSA-N	271.382	1.566	10	20	CDCD	
COc1cccc(O)c1CNC[C@@H]1CC[C@@H](O)C1	788971983	STJDNAGWNGKDCW-GHMZBOCLSA-N	251.326	1.651	10	20	CDCD	
C[C@H](COCC1CC1)NC(=O)NCc1ccc(N)cc1	1262586416	CZVOULDVHLGGDP-LLVKDONJSA-N	277.368	1.883	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)[C@@H]1C[C@H]1c1ccncc1	1528038524	ZXOSSRYFINGQSW-UONOGXRCSA-N	298.342	1.955	10	20	CDCD	
Cc1nc(NC(=O)NCc2ccc(N)cc2)nn1C	1579864862	CDMKGXHBOJQXQY-UHFFFAOYSA-N	260.301	1.027	10	20	CDCD	
CCOc1ccc(CN2CCC[C@@H](O)[C@@H]2C(=O)O)c(O)c1	1597102331	VXVGNXVDUOURPI-TZMCWYRMSA-N	295.335	1.201	10	20	CDCD	
CCN1CCCc2cc(CN[C@@H](C(=O)O)[C@H](C)O)ccc21	1776875374	YXKRLNNLRCXJOE-XHDPSFHLSA-N	292.379	1.383	10	20	CDCD	
CNc1ccc(C(=O)NCc2ccccc2O)cn1	802776868	BCDJCETVMQTKLJ-UHFFFAOYSA-N	257.293	1.759	10	20	CDCD	
CC[C@@](C)(CCO)NC(=O)Nc1ccc(N)cc1	841297925	LKNDRHHWVZSYTR-ZDUSSCGKSA-N	251.330	1.941	10	20	CDCD	
Cc1ccc(O)c([C@H](C)NCCOCCN(C)C)c1	219324615	FXPVSRHZDZHPTG-ZDUSSCGKSA-N	266.385	1.929	10	20	CDCD	
CC[C@@H](C)C[C@H](N)C(=O)NCc1ccccc1O	400752424	DHFCBDDCRXEHCG-PWSUYJOCSA-N	250.342	1.772	10	20	CDCD	
COc1ccc(O)c(CN(C2CC2)[C@H](C)C(=O)O)c1	1594104926	ABJIYMCDEHBPBG-SECBINFHSA-N	265.309	1.838	10	20	CDCD	
CN(C)c1ccc(CNCCC[S@@](C)=O)cc1	116919538	VELSHNKJWOMMQA-KRWDZBQOSA-N	254.399	1.611	10	20	CDCD	
COc1ccc(O)c(CNCC2CCN(C)CC2)c1	44515954	ADTAKTTWKSQRMK-UHFFFAOYSA-N	264.369	1.832	10	20	CDCD	
Cc1ccc(O)c(CN2CCS(=O)(=O)C[C@@H](C)C2)c1	192068008	MFUDXDTWYBXCDN-LBPRGKRZSA-N	283.393	1.567	10	20	CDCD	
COC[C@@H](C)N(C)Cc1ccc([N+](=O)[O-])c(OC)c1O	278270165	ROPIDIPYZRSYPE-SECBINFHSA-N	284.312	1.776	10	20	CDCD	
C[C@@H]1C[C@H](NC(=O)NCc2ccccc2O)CCO1	271315704	XOUVVOWMJJYCRE-ZYHUDNBSSA-N	264.325	1.759	10	20	CDCD	
COc1cc(N(C)CC(=O)N(C)C)c([N+](=O)[O-])cc1OC	271049438	PDAVMWNFPSTQBT-UHFFFAOYSA-N	297.311	1.136	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)C[C@@H]1COCCN1	285654455	IGVWJWHWIKXARJ-CQSZACIVSA-N	292.379	1.509	10	20	CDCD	
CCCCN(Cc1ccccc1O)C(=O)[C@H]1CCC(=O)N1	282491704	MQWXXVQPAYZQRY-CYBMUJFWSA-N	290.363	1.800	10	20	CDCD	
CC(=O)C(=O)COC(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C	808493074	QLGUKMHWCQLMEO-JQWIXIFHSA-N	252.310	1.926	10	20	CDCD	
CCOC(=O)c1sc(SCC(=O)C(C)=O)nc1C	295436557	ZPGFNUHGDQSPNZ-UHFFFAOYSA-N	287.362	1.878	10	20	CDCD	
CC(=O)C(=O)COC(=O)c1ccc2c(c1)OCCCO2	808491241	KJPBMXVTLNXRMV-UHFFFAOYSA-N	278.260	1.163	10	20	CDCD	
COc1ccc(CNC(=O)[C@H](O)C(C)C)c(O)c1	803291810	COOWSIORUVFXKX-GFCCVEGCSA-N	253.298	1.034	10	20	CDCD	
Oc1cccc2c1[C@H](NCC1(N3CCOCC3)CC1)CC2	296575428	VNIRAVSZYZBEGC-CQSZACIVSA-N	288.391	1.834	10	20	CDCD	
Cc1cc(CN[C@@H]2C(=O)NCC[C@@H]2C)ccc1N(C)C	815106862	BVXPWFLMJQGWAY-NHYWBVRUSA-N	275.396	1.675	10	20	CDCD	
CN(C)c1ccc([C@H](N)CN[C@H]2CCC[C@@H]2CN)cc1	817943871	WHGBJQTVGIXMQE-BMFZPTHFSA-N	276.428	1.469	10	20	CDCD	
CC(=O)N[C@@H]1CCN(Cc2ccc(N(C)C)cc2)C1	817281496	XGECDRSJSGPZMW-CQSZACIVSA-N	261.369	1.463	10	20	CDCD	
CC(C)(C)NC(=O)CCNC(=O)c1c(F)ccc(O)c1O	825714256	PLRUWXXKRGXAGN-UHFFFAOYSA-N	298.314	1.272	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)[C@@H](OC)C(=O)O)cc1	901935302	YVCBCPGHTOUTCC-CYBMUJFWSA-N	294.351	1.249	10	20	CDCD	
COc1ncc(/C=C/C(=O)N(C)c2ncccc2C)cn1	491961028	IONRHLAXUMCTTR-VOTSOKGWSA-N	284.319	1.865	10	20	CDCD	
NC(=O)C1(C(=O)NCc2ccc(N3CCCC3)cc2)CC1	731608125	RHJOCFWBQZLATA-UHFFFAOYSA-N	287.363	1.169	10	20	CDCD	
CN1CCCc2cc(CNC(=O)CCNC(=O)O)ccc21	737516378	AHQDXMMCGPUWEH-UHFFFAOYSA-N	291.351	1.343	10	20	CDCD	
C[C@@H]1OCC[C@H]1C(=O)N(CC(=O)O)Cc1ccccc1O	911483852	HELHWJFRAVYINA-CMPLNLGQSA-N	293.319	1.230	10	20	CDCD	
CN(Cc1ccnn1C)c1ccc(OCC(=O)O)cc1	846280201	UYDZZBSOHRGSHU-UHFFFAOYSA-N	275.308	1.520	10	20	CDCD	
O=C(NCc1cc(Cl)ccc1O)C1(O)CCCC1	846476291	MXBYWQZXLNFPJS-UHFFFAOYSA-N	269.728	1.967	10	20	CDCD	
Cc1noc(CCc2nc(Cc3ccc(N)cc3)no2)n1	843160366	XLSWYXZRAFUXDR-UHFFFAOYSA-N	285.307	1.719	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1CCO[C@H]([C@H](C)N)C1	843056668	UZAPJJGTDVSXGY-BBRMVZONSA-N	277.412	1.609	10	20	CDCD	
COc1cccc(CNC(=O)NCc2cc(C)[nH]n2)c1O	745829911	IUKAHOALNGFALA-UHFFFAOYSA-N	290.323	1.432	10	20	CDCD	
COC(=O)[C@@H]1C[C@@H]1C(=O)NCc1cc(Cl)ccc1O	846473740	WDWBKAGBMMLMJN-VHSXEESVSA-N	283.711	1.471	10	20	CDCD	
CC(C)NC(=O)[C@@H](C)NCc1ccc(N(C)C)c(F)c1	840974749	NYNQAGALZABESW-LLVKDONJSA-N	281.375	1.894	10	20	CDCD	
CO[C@H](C1CC1)[C@@H](C)NC(=O)NCCc1ccc(N)cc1	841912557	LROTZBYLPCCHFE-ABAIWWIYSA-N	291.395	1.924	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)NC[C@H]1CCCN1	841828106	QZQFEZHJVTUQCQ-CQSZACIVSA-N	290.411	1.612	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H](C)C(=O)NC(C)C)c(O)c1O	840546190	DJOFTPLWZILUBH-VIFPVBQESA-N	280.324	1.049	10	20	CDCD	
CN1CCN(Cc2cc(Cl)cc(F)c2O)[C@H](CN)C1	843122928	XEIMJZRHAYIFQT-LLVKDONJSA-N	287.766	1.259	10	20	CDCD	
COc1ccc(N(C)CC(=O)N2C[C@@H](C)O[C@H](C)C2)cc1	844352858	AJCJALLGUAHZSK-CHWSQXEVSA-N	292.379	1.767	10	20	CDCD	
CC[C@H](NCCN1CC[C@@H](O)C1)c1ccc(C)cc1O	858547616	HOZNUQBHTBQOQK-HIFRSBDPSA-N	278.396	1.808	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CNC2(C3CC3)CC2)cc1	754358360	KIMUYLRSULRGAZ-UHFFFAOYSA-N	287.407	1.901	10	20	CDCD	
O=C(NCCOCCF)NCc1ccccc1O	852714855	NWYXYTGYUPCVIE-UHFFFAOYSA-N	256.277	1.178	10	20	CDCD	
COc1cccc(CNCCCNc2ncccn2)c1O	751506297	NOHJHLWKHUYOFH-UHFFFAOYSA-N	288.351	1.783	10	20	CDCD	
CC1(CNC(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1	752820056	GNNSUVKZCFZKQG-UHFFFAOYSA-N	298.364	1.294	10	20	CDCD	
CON(C)C(=O)[C@H](C)N[C@H](C)c1cc(F)ccc1O	858579171	NLJAPNKYKNAZOH-BDAKNGLRSA-N	270.304	1.590	10	20	CDCD	
CCOC(=O)/C(=C/c1cn(C)nc1C)c1nccn1C	755589219	OWQDYFMNJDSJMZ-XYOKQWHBSA-N	274.324	1.566	10	20	CDCD	
COc1cc(O)c(CNCC[C@H](C)O)cc1OC	763375815	WAWJJAKNZNLDBR-VIFPVBQESA-N	255.314	1.270	10	20	CDCD	
O=S(=O)(CCCCF)NCc1ccc(O)cc1O	867417393	UDRHSCCRJPAQGK-UHFFFAOYSA-N	277.317	1.267	10	20	CDCD	
COC(=O)CC(C)(C)N(C)C(=O)c1cc(O)cs1	1118750320	ZMQRCFKWWULCJM-UHFFFAOYSA-N	271.338	1.867	10	20	CDCD	
Cc1ccc(CN[C@H](C)[C@@H]2CN(C)CCO2)c(O)c1	877100209	QSVPCJHKSQZWOC-DOMZBBRYSA-N	264.369	1.509	10	20	CDCD	
CCN(C)c1ccc(CN2CCO[C@@H](OC)C2)cc1	878970170	JYHWOIUSWUAUFH-OAHLLOKOSA-N	264.369	1.947	10	20	CDCD	
CC[C@H](C)NC(=O)CN[C@H](C)c1ccccc1O	879647340	BCNDBAFOJISWGJ-WDEREUQCSA-N	250.342	1.958	10	20	CDCD	
COc1ccc(CN2CC[C@](C)(C(N)=O)C2)c(O)c1OC	894184873	LZJDKLWRFFNCIL-HNNXBMFYSA-N	294.351	1.107	10	20	CDCD	
COc1cc(C)cc(CN2CCN(C[C@H](C)O)CC2)c1O	894001141	JGAZYLVWRXHNQS-ZDUSSCGKSA-N	294.395	1.208	10	20	CDCD	
COc1cc(C)cc(CN2CCN3CCOC[C@@H]3C2)c1O	894455457	CLIZGPFSUABOLF-AWEZNQCLSA-N	292.379	1.226	10	20	CDCD	
OCCN(Cc1cc(F)cc(F)c1O)CC(F)F	894614358	OWLKDNZIVAMKBE-UHFFFAOYSA-N	267.222	1.730	10	20	CDCD	
COc1ccc(CNC(=O)CC[C@@H](C)OC)c(O)c1	794378819	WFXPSTBOHGEPAM-SNVBAGLBSA-N	267.325	1.832	10	20	CDCD	
C[C@H]1CN(Cc2ccccc2O)C[C@H](C)S1=O	792192045	JPLBRWAXQGJNPD-QWRGUYRKSA-N	253.367	1.734	10	20	CDCD	
Cn1cncc1[C@@H]1C[C@H]1C(=O)NCc1cccc(O)c1O	1176566322	VWRPELPMXSOIJA-GHMZBOCLSA-N	287.319	1.251	10	20	CDCD	
CC(C)N1CCCN(C(=O)c2cccc(O)c2O)CC1	280431542	JFJZDLUDTINIPD-UHFFFAOYSA-N	278.352	1.654	10	20	CDCD	
C[C@@H]1CCCN(C(=O)c2cccc(O)c2O)[C@@H]1CO	708443989	MAHIAAWKAQUYJZ-MWLCHTKSSA-N	265.309	1.331	10	20	CDCD	
CN1CCC[C@H](CCNC(=O)NCc2ccc(N)cc2)C1	1335571088	UBMBSECYLJUREE-CQSZACIVSA-N	290.411	1.800	10	20	CDCD	
CNC(=O)N1CCN(Cc2cc(F)cc(F)c2O)CC1	722190038	VRHKZCYIXOBDBJ-UHFFFAOYSA-N	285.294	1.127	10	20	CDCD	
COc1cccc(O)c1CN(C)CC(=O)N1CCCC1	768215166	QQXLQSCWUFMKJD-UHFFFAOYSA-N	278.352	1.455	10	20	CDCD	
NC(=O)CCC1CCN(Cc2ccc(N)cc2)CC1	1334753346	CZJVODBAYSLCQW-UHFFFAOYSA-N	261.369	1.746	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)c1cnoc1C1CC1	1332646265	IEMWERQNYLOSBC-UHFFFAOYSA-N	274.276	1.893	10	20	CDCD	
CCCC[C@@H](CN)NC(=O)NCc1ccc(N)cc1	1336895349	YNYJXGILURATCA-ZDUSSCGKSA-N	264.373	1.586	10	20	CDCD	
O=C(NCc1cccc(O)c1O)C(F)(F)C1(O)CCC1	1349078807	JUMXDQZBXUWXIS-UHFFFAOYSA-N	287.262	1.264	10	20	CDCD	
C[C@@H](c1nncn1C)n1cc(COc2ccc(N)cc2)nn1	1262027000	NIIBMLOZNFRNNS-JTQLQIEISA-N	299.338	1.177	10	20	CDCD	
O=C(Cc1ccc(O)c(O)c1)NCC1(C(=O)O)CCCC1	1601362502	YHBYQYQLYDLKGX-UHFFFAOYSA-N	293.319	1.402	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1C[C@@H](O)C[C@@H]1C(=O)O	1607667626	MJQILMCFFDMZCN-UONOGXRCSA-N	278.352	1.081	10	20	CDCD	
O=C(O)c1cnc(SCc2ncnn2CCF)s1	1610863405	XNKFMZQMWHGQFS-UHFFFAOYSA-N	288.329	1.695	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCC(=O)O	1589079332	NWVYJXYDHMHOJV-MRVPVSSYSA-N	267.281	1.010	10	20	CDCD	
C[C@](CCF)(NC(=O)Cc1ccc(N)cc1)C(=O)O	1592497968	KKCJLLVSXADNTL-CYBMUJFWSA-N	268.288	1.130	10	20	CDCD	
CCCOc1ccc(CN[C@@H](C(=O)O)[C@@H](C)O)cc1C	1776817723	JQXZKLHLRMBAJT-BXUZGUMPSA-N	281.352	1.707	10	20	CDCD	
CN1C(=O)C(=Cc2cc(F)cc(F)c2)C(=O)N(C)C1=O	158624383	INCMYGMVZDPANW-UHFFFAOYSA-N	280.230	1.399	10	20	CDCD	
COC(=O)CCCC(=O)NCc1ccc(N(C)C)cc1	163446855	TYNGIIFCWBZTSI-UHFFFAOYSA-N	278.352	1.712	10	20	CDCD	
CCn1cc(C(=O)NCCc2ccc(O)c(O)c2)cn1	156710445	GSUVCXMVTLSTBO-UHFFFAOYSA-N	275.308	1.287	10	20	CDCD	
Nc1ccc(CC(=O)N2CCN(c3ccccn3)CC2)cc1	20185733	UDEVAJZOVZUKAS-UHFFFAOYSA-N	296.374	1.555	10	20	CDCD	
CC[C@H](C)N(C)CCNC(=O)Cc1ccc(N)cc1	226396369	HBIBXYQQPZYKSP-LBPRGKRZSA-N	263.385	1.658	10	20	CDCD	
COc1cc(Cl)cc(CN2CC[C@@H](CN)C2)c1O	229102641	YILYBYQZBRBXMC-VIFPVBQESA-N	270.760	1.835	10	20	CDCD	
COc1ccc(O)c(CNCc2cn(C)nc2C)c1	123645734	FZJKOUAERNXEQU-UHFFFAOYSA-N	261.325	1.733	10	20	CDCD	
COc1ccc(O)c(CN2CC[C@H]3NCC[C@H]3C2)c1	311856402	JTKAENINWNAOGU-SMDDNHRTSA-N	262.353	1.585	10	20	CDCD	
Cc1nc([C@@H](C)NCc2cc(F)ccc2O)n[nH]1	392446145	DYFRIIJMBQZSJX-SSDOTTSWSA-N	250.277	1.809	10	20	CDCD	
CCOc1cccc(CN2CC(C)(C(=O)O)C2)c1O	399142711	AMROYYSETLHJGX-UHFFFAOYSA-N	265.309	1.697	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)c2cnn[nH]2)cc1	56214048	VIMXVOXMENJUJM-UHFFFAOYSA-N	273.340	1.581	10	20	CDCD	
CN(C)CC(=O)NCc1ccc(N(C)C)c(F)c1	170771877	OPOBYWFLBOGPMA-UHFFFAOYSA-N	253.321	1.070	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2N)cc1	112810963	JHDKVKDUWWZHCA-SDADXPQNSA-N	287.407	1.742	10	20	CDCD	
COC(=O)C(C)(C)NCc1ccc(N2CCOCC2)cc1	37085151	ICWUEOUYMZGLDG-UHFFFAOYSA-N	292.379	1.564	10	20	CDCD	
NC(=O)C1CCN(Cc2cccc(Cl)c2O)CC1	183468151	JZGXULPZXTZRFA-UHFFFAOYSA-N	268.744	1.743	10	20	CDCD	
CC(C)CN(CC(N)=O)Cc1c(O)cccc1Cl	132900583	WTPOJQVMOXHGSU-UHFFFAOYSA-N	270.760	1.989	10	20	CDCD	
CC[C@@H](CCO)CNC(=O)Cc1ccc(N)cc1	94950198	NXJOWENOFVZUIS-NSHDSACASA-N	250.342	1.336	10	20	CDCD	
Cc1ccc([C@@H](C)NC[C@@H]2COCCN2)c(O)c1C	530225164	MKKAQYPDPXGSGF-CHWSQXEVSA-N	264.369	1.648	10	20	CDCD	
Cc1ccc([C@@H](C)NCC(=O)N2CCOCC2)c(O)c1C	273517862	SVLBJHHOFYCOSC-CYBMUJFWSA-N	292.379	1.518	10	20	CDCD	
COCCN1CCN(Cc2c(O)cccc2Cl)CC1=O	272359770	NAJWDEGKFIFCJM-UHFFFAOYSA-N	298.770	1.336	10	20	CDCD	
Cc1noc(C)c1CCC(=O)NCc1ccc(O)c(O)c1	272273622	DLYDTLVKBQEYAX-UHFFFAOYSA-N	290.319	1.952	10	20	CDCD	
COC[C@@H](CCO)N[C@@H](C)c1ccc(F)c(F)c1O	276988430	XCRDUVJADNAJFA-DTWKUNHWSA-N	275.295	1.718	10	20	CDCD	
Cc1ccc(C(=O)N2CC[C@@H](C)[S@@](=O)CC2)c(O)c1O	277458630	GIHURRNAGABGGL-SBKAZYGRSA-N	297.376	1.389	10	20	CDCD	
CCOC(=O)[C@H]1CCCN1C(=O)c1ccc(C)c(O)c1O	274457713	WBKJWKJOBVELHQ-LLVKDONJSA-N	293.319	1.574	10	20	CDCD	
COc1ccc(N(C)Cc2cnn(C)n2)cc1F	289412248	UZZFGKXCUABUTM-UHFFFAOYSA-N	250.277	1.599	10	20	CDCD	
COC[C@@H](CO)N[C@H](C)c1ccc(C)c(C)c1O	281201358	SABPLGNYZOWUDR-VXGBXAGGSA-N	253.342	1.667	10	20	CDCD	
C[C@](O)(CNC(=O)c1c(F)ccc(O)c1O)C(F)(F)F	295644956	YTQFXVYWGQIRMN-JTQLQIEISA-N	297.204	1.280	10	20	CDCD	
CC[C@H](CNC(=O)NCc1ccccc1O)OC	290842243	CJIVSKDWZVASAQ-LLVKDONJSA-N	252.314	1.616	10	20	CDCD	
O=C(NCc1ccccc1O)c1cnn(CCF)c1	806717910	RMZRNIOWRFEIRF-UHFFFAOYSA-N	263.272	1.488	10	20	CDCD	
COC[C@@H](O)CNCc1ccc(N2CC=CC2)cc1	819096186	YREICVPBIFHDLJ-HNNXBMFYSA-N	262.353	1.160	10	20	CDCD	
CCNCCN[C@H](C)c1ccc(N2CCOCC2)c(F)c1	817952301	PDGKCJCLPJYZGV-CYBMUJFWSA-N	295.402	1.922	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)C[C@H](N)C1CC1	829763885	CCMDMWMNUCIXKM-HNNXBMFYSA-N	275.396	1.805	10	20	CDCD	
COC(=O)C1(C)CN(C(=O)c2cc(O)cs2)C1	822446694	JDXJMJVIFJJNPU-UHFFFAOYSA-N	255.295	1.089	10	20	CDCD	
COc1cccc(CN2CC[C@H](OC)C[C@H]2C(=O)O)c1O	833735676	SJARNUMVTGPFHA-RYUDHWBXSA-N	295.335	1.465	10	20	CDCD	
COCCCNC(=O)[C@H](C)OC(=O)c1cc(O)cs1	732352697	CGQAKGBNIBINIM-QMMMGPOBSA-N	287.337	1.152	10	20	CDCD	
CCn1nnc(C)c1COC(=O)c1cc(O)cs1	837516155	XUMQHDUKOWFCIS-UHFFFAOYSA-N	267.310	1.731	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)c1n[nH]c2c1CCCC2	910951195	DWRDRTZRRHXEPW-UHFFFAOYSA-N	287.319	1.630	10	20	CDCD	
CCn1cnnc1CCNCc1ccc(OC)c(C)c1	741157797	AXDCJMQVCGVFIN-UHFFFAOYSA-N	274.368	1.947	10	20	CDCD	
COc1cccc([C@@H](C)NC[C@@H](O)CN2CCCC2)c1O	846147056	VFUMGHUEJAHAGE-CHWSQXEVSA-N	294.395	1.508	10	20	CDCD	
C[C@H](Cn1ccnc1)NC(=O)NCCc1ccc(N)cc1	841506458	XHZTWEWICXVTFQ-GFCCVEGCSA-N	287.367	1.396	10	20	CDCD	
Oc1ccc(F)cc1CN1CC[C@]2(CCCN2)C1	841105428	MPTVRRLFWWSBAD-CQSZACIVSA-N	250.317	1.859	10	20	CDCD	
CCc1c(C(=O)NCc2ccc(O)cc2O)cnn1C	910950829	KAKRFOMHPMVABK-UHFFFAOYSA-N	275.308	1.324	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)NC[C@@H]1CCCNC1	841925206	BSBQQRZRZKMZOI-GFCCVEGCSA-N	277.368	1.533	10	20	CDCD	
COc1cc(Cl)cc(CNC[C@@H]2CCCN2)c1O	841035664	JOJKIMSJLLBIIS-NSHDSACASA-N	270.760	1.896	10	20	CDCD	
CN1CCC(NC(=O)NCc2cc(Cl)ccc2O)CC1	844853936	GWJYZCLNOAHSSR-UHFFFAOYSA-N	297.786	1.939	10	20	CDCD	
COc1cccc(O)c1CN[C@@H]1CCN[C@H](C)C1	841060696	BEFWWYHPLIDZAR-GHMZBOCLSA-N	250.342	1.631	10	20	CDCD	
CCONC(=O)CNCc1c(O)cccc1Cl	846089330	RDBXEQCNOYPGIS-UHFFFAOYSA-N	258.705	1.203	10	20	CDCD	
NC[C@H]1CN(Cc2cc(Cl)cc(F)c2O)CCCO1	841100144	DISDHWDQGABGOT-NSHDSACASA-N	288.750	1.734	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H]2CCCN[C@@H]2C)c1O	841062753	DHGKETSQVKEZAX-MWLCHTKSSA-N	295.339	1.539	10	20	CDCD	
CCCNC(=O)CCCOC(=O)c1ccc(C)c(O)c1O	840218836	DUOVXITZRUUQKI-UHFFFAOYSA-N	295.335	1.869	10	20	CDCD	
CCOCCn1cc(C(=O)Nc2ccc(N)cc2)cn1	856993288	CVLRTJMSZQJNMJ-UHFFFAOYSA-N	274.324	1.754	10	20	CDCD	
C[C@@H](NC(=O)c1cc(O)cs1)c1nccn1C	856281012	KXRHHRRZTRCBML-SSDOTTSWSA-N	251.311	1.678	10	20	CDCD	
C[C@H](N[C@H](C)[C@@H]1CN(C)CCO1)c1ccc(F)cc1O	756759548	MNEDUVBBYOBHLD-RWSFTLGLSA-N	282.359	1.901	10	20	CDCD	
CCOc1ccc(CN2CCNC(=O)[C@H]2C(C)C)c(O)c1	769326826	HUKUIBPUTHTDGQ-OAHLLOKOSA-N	292.379	1.747	10	20	CDCD	
Cc1ccc(CN[C@H](C)CC[S@](C)=O)c(O)c1	877090653	WXBLEQULVJAUOU-DIFFPNOSSA-N	255.383	1.947	10	20	CDCD	
CN(C)c1cc(F)c(CN2C[C@@H]3C[C@@]3(CO)C2)cc1F	862336596	JCNWKBHYRXMXIT-NHYWBVRUSA-N	282.334	1.845	10	20	CDCD	
O=C(N[C@@H](CO)CC(F)F)c1cc(O)cs1	760919445	DGEQWUGXGDCEKL-RXMQYKEDSA-N	251.254	1.200	10	20	CDCD	
C[C@H](NCc1nnn(C)n1)c1cc(F)cc(F)c1O	1116841404	ILSNOUZLWWSLQR-LURJTMIESA-N	269.255	1.045	10	20	CDCD	
COCC[C@@]1(NCc2cc(C)ccc2O)CCOC1	775033174	MEYIZBUUTWCJHK-OAHLLOKOSA-N	265.353	1.986	10	20	CDCD	
CC(=O)[C@H](C)OC(=O)/C=C\c1ccc(O)c(O)c1	772770865	VNXCAFXRBCZPRW-RNEXMXFGSA-N	250.250	1.632	10	20	CDCD	
C[C@H]1C[C@H](O)CN1Cc1ccc(N2CCC(O)CC2)cc1	877468107	YWGAZKSACHRSNX-GUYCJALGSA-N	290.407	1.603	10	20	CDCD	
COC[C@@H](C)NCc1ccc(N2CCN(C)CC2)cc1	771869526	UXUAHXBNWUFIMV-CQSZACIVSA-N	277.412	1.563	10	20	CDCD	
CON1CCC(N(C)C(=O)NCc2ccc(N)cc2)CC1	1120677588	SSNBQJPVHXHLCH-UHFFFAOYSA-N	292.383	1.436	10	20	CDCD	
CCN(CCC(=O)NC)C(=O)/C=C\c1ccc(O)c(O)c1	888268167	KJYPUMIWMWULAG-ALCCZGGFSA-N	292.335	1.096	10	20	CDCD	
CS[C@H](C)CC(=O)NCc1cccc(O)c1O	1123889210	NRQBUWYXLHAXSE-MRVPVSSYSA-N	255.339	1.856	10	20	CDCD	
C[C@@H]1CN(C)C(=O)CN1Cc1cc(F)ccc1O	783733540	MDCKVGJEWYVXFM-SECBINFHSA-N	252.289	1.194	10	20	CDCD	
COc1ccc(CNC(=O)c2ccccn2)c(O)c1	794382680	ZVXUUDFPFVIZHU-UHFFFAOYSA-N	258.277	1.726	10	20	CDCD	
COc1cncc(C(=O)N(C)Cc2ccccc2O)n1	790773326	XCOXCAIGWGAJIO-UHFFFAOYSA-N	273.292	1.463	10	20	CDCD	
COC(=O)[C@@H]1CC[C@H](NCc2cccc(OC)c2O)C1	792200059	HEZFFIGVOXXOGX-PWSUYJOCSA-N	279.336	1.832	10	20	CDCD	
CC[C@H](CO)NCc1cc(Cl)cc(OC)c1O	169093865	SHTDSHVCSUBTGG-SNVBAGLBSA-N	259.733	1.915	10	20	CDCD	
O=S(=O)(NCc1ccccc1O)c1cncc(Cl)c1	754805701	PCPTZPODAGJADV-UHFFFAOYSA-N	298.751	1.919	10	20	CDCD	
Oc1cc2c(cc1CN1C[C@H]3COC[C@H]3C1)OCO2	718147169	OFWBTMMUWLPZIT-PHIMTYICSA-N	263.293	1.199	10	20	CDCD	
COCCCN(CCO)Cc1cc(F)cc(F)c1O	1331569685	QNXARMAHWUEPLB-UHFFFAOYSA-N	275.295	1.501	10	20	CDCD	
CC(C)C(=O)NCCCNC(=O)NCc1ccc(N)cc1	1336067183	RITIEBKTXAWUDR-UHFFFAOYSA-N	292.383	1.230	10	20	CDCD	
COc1ccc(CN(CC(=O)O)C(C)C)c(O)c1OC	1604785526	BVRBSGIDXKCPGJ-UHFFFAOYSA-N	283.324	1.704	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C[C@H]1CC(F)(F)CN1	1578427679	ZKTUAJARWGHQDT-LLVKDONJSA-N	297.349	1.949	10	20	CDCD	
C[C@@H](N=c1cc[nH]c(C(=O)O)n1)c1ccccc1O	1599842043	BNHRLMNKVZUGGY-MRVPVSSYSA-N	259.265	1.475	10	20	CDCD	
O=C(/C=C/c1cccnc1)NCc1ccc(O)c(O)c1	158871855	CTFWMTMIRRIWFG-GQCTYLIASA-N	270.288	1.822	10	20	CDCD	
CN1CCCc2cc(CNC(=O)C[C@H]3CCCN3)ccc21	166477961	IRWIFHNBQSGWQG-OAHLLOKOSA-N	287.407	1.827	10	20	CDCD	
C[C@@H](C(=O)O)N(C)C(=O)NCc1ccc(N(C)C)cc1	908758943	UCHUNQULVIBGOW-JTQLQIEISA-N	279.340	1.367	10	20	CDCD	
Cc1ccc([C@@H](C)NCCS(=O)(=O)C2CC2)c(O)c1	840884986	UDDPKCWJXGFMJL-LLVKDONJSA-N	283.393	1.928	10	20	CDCD	
Nc1ccc(CC(=O)N2CCOC[C@@H]2C2CC2)cc1	831469652	APRNGIWTYQWUHA-CQSZACIVSA-N	260.337	1.449	10	20	CDCD	
COc1ccc(N(C)C[C@H](O)Cn2cccn2)cc1	844353134	HWILLKBYRHSALB-ZDUSSCGKSA-N	261.325	1.389	10	20	CDCD	
CN(Cc1cc2c(cc1O)OCO2)C[C@H]1CCCOC1	107670229	OMTSQWLGCPSPBU-LLVKDONJSA-N	279.336	1.979	10	20	CDCD	
CCOC[C@@H](O)CNCc1ccc2c(c1)CCCN2C	312405202	PQGGHRISQUQBGI-HNNXBMFYSA-N	278.396	1.556	10	20	CDCD	
Cc1ccc([C@@H](C)NC[C@H](O)CN(C)C)c(O)c1	717355853	XALNTWXVPWQRDB-NEPJUHHUSA-N	252.358	1.274	10	20	CDCD	
Oc1cc2c(cc1CNCCc1cnccn1)OCO2	390237627	UDTIRRDKZQUAEP-UHFFFAOYSA-N	273.292	1.243	10	20	CDCD	
Cc1ccc(O)c(CN[C@H](CO)C[C@@H]2CCCO2)c1	886225831	CIDIRKCLKDEAGU-KBPBESRZSA-N	265.353	1.720	10	20	CDCD	
CN1CCCc2cc(CNC(=O)N3CCC3)ccc21	57662124	XLRNIOIYLOMASU-UHFFFAOYSA-N	259.353	1.984	10	20	CDCD	
COc1cc(O)c(CN2CCC(CO)CC2)cc1OC	179668570	DBLCZIVIIHKKGO-UHFFFAOYSA-N	281.352	1.614	10	20	CDCD	
Cc1nnc(NC(=O)c2ccc(C)c(O)c2O)s1	177667841	HEPSWASLTPKHSF-UHFFFAOYSA-N	265.294	1.818	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CC[C@@H](C(=O)O)C2)c1O	178903864	UNCFXGWGLYMNED-SECBINFHSA-N	281.283	1.640	10	20	CDCD	
CCCN(Cc1ccccc1O)[C@@H]1CC(=O)N(C)C1=O	282842879	CSZQNDNHXMPEHF-GFCCVEGCSA-N	276.336	1.362	10	20	CDCD	
CC(C)N(CC(N)=O)Cc1cccc(Cl)c1O	124514760	NZCOGHHNTXMTHS-UHFFFAOYSA-N	256.733	1.741	10	20	CDCD	
CC[C@@H](NCC(C)(C)C(N)=O)c1ccccc1O	185214134	HHHAYFLWPGMPNH-LLVKDONJSA-N	250.342	1.944	10	20	CDCD	
Cc1cc(O)ccc1NS(=O)(=O)c1cnn(C)c1	78005211	GWDJSPVDNVLZMO-UHFFFAOYSA-N	267.310	1.235	10	20	CDCD	
C[C@H](O)CN(C)Cc1cccc(Br)c1O	130703754	KLIPXDMBQCUUBE-QMMMGPOBSA-N	274.158	1.967	10	20	CDCD	
Oc1ccccc1CNC[C@@H](O)COc1ccccc1	134226177	QKNLLJJZALXFJN-CQSZACIVSA-N	273.332	1.922	10	20	CDCD	
Cc1ccc(C)n1-c1ccsc1C(=O)N(C)CC(N)=O	49248487	YMFORSXCVOCXCZ-UHFFFAOYSA-N	291.376	1.713	10	20	CDCD	
Cc1cc(Cl)cc([C@@H](C)NC[C@@H]2COCCN2)c1O	530222894	IFRSVMLDUNUISP-ZYHUDNBSSA-N	284.787	1.993	10	20	CDCD	
Cc1ccc(C(=O)N2CC[C@H]3CCN(C)C[C@@H]32)c(O)c1O	272914741	DNEFWWWWXSZIFO-YPMHNXCESA-N	290.363	1.572	10	20	CDCD	
COC(=O)[C@]1(F)CCN(Cc2ccc(N(C)C)c(F)c2)C1	271172604	AIDZQQHTKHPOGM-HNNXBMFYSA-N	298.333	1.979	10	20	CDCD	
CCOCCN[C@@H](C)c1cc([N+](=O)[O-])ccc1O	273407668	OXYDPYZDWSDWIH-VIFPVBQESA-N	254.286	1.988	10	20	CDCD	
CN(Cc1cccc(Cl)c1O)CC(C)(CO)CO	271772826	GQCCCUPTJPCZDC-UHFFFAOYSA-N	273.760	1.468	10	20	CDCD	
C[C@H](NCc1nccn1C)c1cc([N+](=O)[O-])ccc1O	273615731	XGELHTYZBHCUHH-VIFPVBQESA-N	276.296	1.885	10	20	CDCD	
C[C@@H](NCc1cccc(Cl)c1O)C(=O)NCCF	281919974	ACSMAOFCPOQNHY-MRVPVSSYSA-N	274.723	1.609	10	20	CDCD	
NC1(C(=O)NCc2ccc(N3CCCC3)cc2)CCC1	295574040	AWQWRYSVBQGTIC-UHFFFAOYSA-N	273.380	1.784	10	20	CDCD	
CC[C@@H](CNC(=O)c1ccc(C)c(O)c1O)OC	291956011	FIQHYEDMUPXQID-VIFPVBQESA-N	253.298	1.561	10	20	CDCD	
CC[C@H](CNS(C)(=O)=O)NCc1cccc(C)c1O	294955239	DJVKPECTELSXPI-GFCCVEGCSA-N	286.397	1.118	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cccc[n+]1[O-]	808095063	QFNZCSSFBSRKNP-UHFFFAOYSA-N	293.319	1.441	10	20	CDCD	
Oc1cc2c(cc1CN1CCn3cncc3C1)[C@H](O)CO2	811788000	ZWXBPPAIMOZGII-CQSZACIVSA-N	287.319	1.030	10	20	CDCD	
CCNCCCN[C@H](C)c1cc([N+](=O)[O-])ccc1O	817942646	BUHCPHWBGUBNSV-SNVBAGLBSA-N	267.329	1.951	10	20	CDCD	
COc1ccc(O)c(CNc2nccn3c(C)nnc23)c1	811804797	BLSGJTIWFHCBGP-UHFFFAOYSA-N	285.307	1.759	10	20	CDCD	
COCC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1	819578361	ILNSYXZRTDGKOE-GFCCVEGCSA-N	278.352	1.284	10	20	CDCD	
CC(=O)N[C@@H]1CCN(Cc2c(O)ccc(Cl)c2F)C1	817415405	SHXULNDRJZAMFJ-SECBINFHSA-N	286.734	1.895	10	20	CDCD	
COc1cccc(CN(CC(F)F)C[C@@H](C)O)c1O	825098247	DZGTYUMIQDCGGY-SECBINFHSA-N	275.295	1.849	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@@H](C)NC1CC1	829764575	PLRSJWCRZZAXTD-GFCCVEGCSA-N	275.396	1.818	10	20	CDCD	
COc1ccccc1NC[C@@H](O)C[C@@]1(O)CCOC1	905300903	QSPZPVVEZJIMBX-FZMZJTMJSA-N	267.325	1.010	10	20	CDCD	
C[C@@H](C(=O)NCc1ccc(N(C)C)cc1)c1cnccn1	905316735	CVEUCZYUJMTOLP-GFCCVEGCSA-N	284.363	1.963	10	20	CDCD	
CC[C@H](OC)C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1	832280310	OSXLLSDTCDKJQY-KGLIPLIRSA-N	279.384	1.294	10	20	CDCD	
CN(C)C(=O)[C@H]1CCC[C@H](NC(=O)c2cc(O)cs2)C1	734179178	UWAOSUAOZMPHIA-UWVGGRQHSA-N	296.392	1.831	10	20	CDCD	
COc1ccc(CNC(=O)CC2(N)CCC2)c(O)c1	832178225	ONUUCIQCPGDEJP-UHFFFAOYSA-N	264.325	1.289	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[C@@H]2COC[C@@H]21	838231603	HWOJZEAUWIXFMF-PBYRWIMMSA-N	289.331	1.748	10	20	CDCD	
C[C@@H]1CCN(C(=O)c2cc(O)cs2)[C@H](C(N)=O)C1	832542731	PABFJOOERMIDBM-APPZFPTMSA-N	268.338	1.180	10	20	CDCD	
NC[C@@H]1CN(Cc2cccc(Cl)c2O)CCCO1	841100584	JJIUIWDNYGXBHQ-LLVKDONJSA-N	270.760	1.595	10	20	CDCD	
COc1cccc(CN[C@@H](CN)C(C)(C)C)c1O	841087637	OOKNIZCFLQPIDY-LBPRGKRZSA-N	252.358	1.864	10	20	CDCD	
CC[C@H]1C(=O)N(CC)CCN1C(=O)Nc1ccc(N)cc1	841296673	WYXCKKBASCBKBY-ZDUSSCGKSA-N	290.367	1.743	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCN2CC(F)(F)C[C@H]2C1	844147120	RFEUQEUPESFIQH-QMMMGPOBSA-N	288.319	1.619	10	20	CDCD	
CC(C)CCOCCNC(=O)C(=O)Nc1ccc(N)cc1	841023039	OJTJXYHAIJCFDI-UHFFFAOYSA-N	293.367	1.386	10	20	CDCD	
COc1ccc(N(C)CCN(C)C(=O)C2(C)CNC2)cc1	846697370	OVSQVKYZGIHZNY-UHFFFAOYSA-N	291.395	1.199	10	20	CDCD	
CCCN(C(=O)c1ccc(C)c(O)c1O)[C@H]1CCN(C)C1	843990647	WIFVPZFKSYNSGD-LBPRGKRZSA-N	292.379	1.963	10	20	CDCD	
c1cc(N2CCOCC2)ccc1CN[C@H]1CCCNC1	841043655	URMHDHISNURBJE-HNNXBMFYSA-N	275.396	1.365	10	20	CDCD	
C[C@H](NC[C@H]1COCCO1)c1cc([N+](=O)[O-])ccc1O	756433770	HIKSJZHZZBCVHZ-ONGXEEELSA-N	282.296	1.366	10	20	CDCD	
CN1CCCc2cc(CN[C@@H]3CNCCOC3)ccc21	925532355	RHBRIQSVGHMUQS-OAHLLOKOSA-N	275.396	1.147	10	20	CDCD	
C[C@H](Nc1ncnc2c1nnn2C)c1ccc(N(C)C)cc1	853484447	KCVGSJLTPCCDOA-JTQLQIEISA-N	297.366	1.997	10	20	CDCD	
CC(C)N1CCC[C@H]1C(=O)NCc1ccc(N)cc1	927768738	TZOPCXDPYAZEFC-AWEZNQCLSA-N	261.369	1.758	10	20	CDCD	
C[C@H](NCc1ccc(N2CCC(O)CC2)cc1)C1CNC1	854230067	FZARCTKVLWWONS-ZDUSSCGKSA-N	289.423	1.345	10	20	CDCD	
Cc1nnc(CN(C)C(=O)c2cc(O)cs2)s1	856366568	ZYLDDPXNMWBKRE-UHFFFAOYSA-N	269.351	1.886	10	20	CDCD	
CC(=O)C(=O)CSc1ncc2c(n1)CCCC2=O	863351225	WGLGSBXPSOKNLZ-UHFFFAOYSA-N	264.306	1.246	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@@]1(N)CC1(F)F	867960646	OCEFHJUXYYJHSG-ZDUSSCGKSA-N	283.322	1.414	10	20	CDCD	
Cc1cccc(O)c1CNC[C@H]1COC2(CCOCC2)O1	877142331	RNYANHRVSZLQEB-ZDUSSCGKSA-N	293.363	1.712	10	20	CDCD	
Cc1ccc(CN2CCC[C@]23CCOC3=O)c(O)c1	877433647	GQRHWHTYOXEAOP-OAHLLOKOSA-N	261.321	1.982	10	20	CDCD	
COc1cccc(CNc2nccn3cnnc23)c1O	771196855	JUKDJWHPTCSDJA-UHFFFAOYSA-N	271.280	1.451	10	20	CDCD	
CC1(CS(=O)(=O)NCc2ccc(O)cc2O)CCC1	882270558	RBTXYTGBGXZLFV-UHFFFAOYSA-N	285.365	1.707	10	20	CDCD	
C[C@@H](N[C@H]1CC(=O)N(C)C1)c1c(O)cccc1F	886521381	ZRPZVLOHPYWCSP-BDAKNGLRSA-N	252.289	1.413	10	20	CDCD	
CCn1nccc1NC(=O)/C=C\c1ccc(O)c(O)c1	779511223	PMXLZLBRJNDZPX-XQRVVYSFSA-N	273.292	1.966	10	20	CDCD	
Nc1ccc(CN2CCC[C@H](C(=O)NC3CC3)C2)cc1	1120262647	BVOLDWWSVMHXMC-ZDUSSCGKSA-N	273.380	1.759	10	20	CDCD	
O=C1N[C@@H](c2cc(F)cc(F)c2O)N2CCSC[C@H]12	887329515	IRQIRGKQNWWRGI-MWLCHTKSSA-N	286.303	1.216	10	20	CDCD	
COc1ccc(CNC(=O)C(=O)OC(C)(C)C)c(O)c1	794760351	PTVPAAMVVYRGPW-UHFFFAOYSA-N	281.308	1.359	10	20	CDCD	
C[C@H]1CN(Cc2ccc(N(C)C)c(F)c2)C[C@H](CO)O1	787417115	IXWOVEGNEAZELJ-WCQYABFASA-N	282.359	1.473	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)N[C@H]2C[C@@H](C)OC2=O)c1	896370755	JSGRRMAQMPLQDB-KOLCDFICSA-N	278.308	1.204	10	20	CDCD	
CCN(CC)c1ccc(CNC[C@H]2COCO2)cc1	894868717	KKARKPFRJYSVLG-HNNXBMFYSA-N	264.369	1.995	10	20	CDCD	
COc1ccc(CN2CCN(C)[C@H](C)[C@H]2C)c(O)c1OC	893668986	JGGHFSJALJQDCU-VXGBXAGGSA-N	294.395	1.934	10	20	CDCD	
CCc1nn(C)cc1C(=O)NCc1ccc(OC)cc1O	794387260	HLFGCJBQPQHLQQ-UHFFFAOYSA-N	289.335	1.627	10	20	CDCD	
C[C@H]1CN(C(=O)c2cc(O)cs2)C[C@]2(CCCOC2)O1	796498683	PHFNVJKMHOWQGP-HZMBPMFUSA-N	297.376	1.864	10	20	CDCD	
Nc1ccc(NC(=O)[C@@H]2CC(=O)N(C3CC3)C2)cc1	701427362	NNELBQJQCLLDDG-SECBINFHSA-N	259.309	1.218	10	20	CDCD	
O=C(NOCCC(F)(F)F)c1cccc(O)c1O	280384638	FQSXMHZAYQPSJF-UHFFFAOYSA-N	265.187	1.712	10	20	CDCD	
Cn1nc2ccccc2c1C(=O)NCc1ccc(O)c(O)c1	1324119793	BNFHFZIWYJFTEP-UHFFFAOYSA-N	297.314	1.915	10	20	CDCD	
C[C@H](NC(=O)CO[C@H]1CCOC1)c1ccc(N(C)C)cc1	1321419492	HJCZTMGDNYJAKP-WFASDCNBSA-N	292.379	1.735	10	20	CDCD	
CN(C)c1ccc(CNC(=O)C(=O)N(C)C2CCC2)cc1	1256886675	USDJMXJIVXUTJG-UHFFFAOYSA-N	289.379	1.380	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)C(=O)NCc1ccccn1	1321861772	QQBPPSUFZGNTJP-UHFFFAOYSA-N	299.330	1.062	10	20	CDCD	
Nc1ccc(CCNC(=O)CCn2cccn2)cc1	63129704	LGJUOEYXDNNPLM-UHFFFAOYSA-N	258.325	1.214	10	20	CDCD	
CCOc1cccc(CN2CCNC[C@@H]2C)c1O	722384219	CMBYBNWCRAASHA-NSHDSACASA-N	250.342	1.585	10	20	CDCD	
Cc1nnc(CCC(=O)N(C)Cc2ccccc2O)o1	1332454411	LQFYSBVYFYYAGS-UHFFFAOYSA-N	275.308	1.675	10	20	CDCD	
Cc1cc(CN2CCCNC[C@@H]2C(=O)O)ccc1N(C)C	1600197082	REIDZDKSZYUFSI-OAHLLOKOSA-N	291.395	1.310	10	20	CDCD	
O=C(O)[C@@H](CF)NCc1cc(Br)ccc1O	1610716066	HDMVIMSEHHFGDG-MRVPVSSYSA-N	292.104	1.667	10	20	CDCD	
CN(C(=O)CONC(=O)OC(C)(C)C)c1ccc(N)cc1	1578378367	UODMRGOOXVIWPU-UHFFFAOYSA-N	295.339	1.688	10	20	CDCD	
C[C@H]1C[C@@H](C(=O)O)CN(C(=O)c2c(F)ccc(O)c2O)C1	1589272984	SGJHCLAMWWUGNN-JGVFFNPUSA-N	297.282	1.420	10	20	CDCD	
COC(=O)C1(COc2ccc(N(C)C)c(C(=O)O)c2)CC1	1598726738	HYDJPJNBCVNSGJ-UHFFFAOYSA-N	293.319	1.783	10	20	CDCD	
C[C@H](NC/C=C/CO)c1cc(C(=O)O)ccc1O	1593256481	IIFSHYGVEVUPEX-HPOULIHZSA-N	251.282	1.290	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)Cn1cc(C(=O)O)nn1	1598519048	FSHBJIRIDATTSO-UHFFFAOYSA-N	289.339	1.132	10	20	CDCD	
C[C@@H](NCCC(=O)N(C)C)c1cc(C(=O)O)ccc1O	1593257501	OPSQJXWQBPCXRE-SECBINFHSA-N	280.324	1.219	10	20	CDCD	
CCOc1ccc(CN2CCOC[C@@H]2C(=O)O)c(O)c1	1597101794	FGEGLNKINUULAT-GFCCVEGCSA-N	281.308	1.076	10	20	CDCD	
CC[C@H](COC)NC(=O)N(C)Cc1ccccc1O	163295898	ABRZOYYWFSSMGH-GFCCVEGCSA-N	266.341	1.959	10	20	CDCD	
CS(=O)(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(N)cc1	237360352	ZOPAQYGLAPVLCH-GFCCVEGCSA-N	297.380	1.021	10	20	CDCD	
CCN(CCCN(C)C)C(=O)c1cccc(O)c1O	276211845	LIUSGWCUZKRDSR-UHFFFAOYSA-N	266.341	1.512	10	20	CDCD	
CCN(Cc1cccc(C)c1O)[C@@H]1CCS(=O)(=O)C1	179562166	GMFPYROPEYMYSR-CYBMUJFWSA-N	283.393	1.710	10	20	CDCD	
CCOCC(C)(C)NC(=O)c1cccc(O)c1O	293784180	BWYVFBWHEKOJSA-UHFFFAOYSA-N	253.298	1.643	10	20	CDCD	
COC[C@@H](O)CCN[C@H]1CCc2cccc(O)c21	296897369	OSPIYKLEHFFAKG-RYUDHWBXSA-N	251.326	1.367	10	20	CDCD	
O=C(NCc1ccccc1O)[C@H]1CC(=O)N(C2CC2)C1	701174855	GIMJSQSNPMOWNQ-NSHDSACASA-N	274.320	1.019	10	20	CDCD	
C[C@@H]1CN(C(=O)c2cccc(O)c2O)C[C@@]1(C)CO	703710701	SMQSNIXAAJIJEU-OTYXRUKQSA-N	265.309	1.188	10	20	CDCD	
O=C(O)[C@@H]1OCC[C@@H]1CNCc1cc(F)cc(F)c1O	708087839	CVYKTKBGSSVUFF-JMCQJSRRSA-N	287.262	1.250	10	20	CDCD	
COCC[C@H](C)NC(=O)NCc1ccc(N(C)C)cc1	101602145	XFCQUVSMMZYFPJ-LBPRGKRZSA-N	279.384	1.977	10	20	CDCD	
COc1ccc(N2CCCN(CC(=O)N(C)C)CC2)cc1	52465311	ZGOMRVXFSCCWAF-UHFFFAOYSA-N	291.395	1.296	10	20	CDCD	
COc1ccc(O)c(CN2C[C@H](C)N[C@H](C)C2)c1	111748495	OAVWWPSRFIGOBL-PHIMTYICSA-N	250.342	1.583	10	20	CDCD	
CCNC(=O)NCc1ccc(N2CCC(CO)CC2)cc1	55328999	DLHJGQAKEQEKMT-UHFFFAOYSA-N	291.395	1.714	10	20	CDCD	
C[C@@H](OCC1CC1)C(=O)NCCc1ccc(O)c(O)c1	122260168	IJQACYLVSMAIKF-SNVBAGLBSA-N	279.336	1.572	10	20	CDCD	
CC[C@@](C)(NC(=O)c1cccc(O)c1O)C(=O)O	126063551	LMTMITBGHHDYMY-GFCCVEGCSA-N	253.254	1.081	10	20	CDCD	
CC(C)c1noc(CCNC(=O)c2cccc(O)c2O)n1	187083697	QEXKQDTWKCKFFT-UHFFFAOYSA-N	291.307	1.577	10	20	CDCD	
O=C(O)[C@H]1CCN(Cc2c(O)cccc2Cl)C1	128826163	YVQPUJLXWGXCRW-QMMMGPOBSA-N	255.701	1.952	10	20	CDCD	
COCCCNC(=O)CN(C)c1ccc(OC)c(F)c1	131432899	ZTUSUVHCLSLUGO-UHFFFAOYSA-N	284.331	1.423	10	20	CDCD	
CC(=O)c1cc(F)cc(CN(C)[C@@H]2CCOC2)c1O	135149831	CGUNASALPADAIY-GFCCVEGCSA-N	267.300	1.955	10	20	CDCD	
CCN(CC(=O)N(C)Cc1ccccc1O)C1CC1	135971006	NKZUJBKKNCWBCZ-UHFFFAOYSA-N	262.353	1.835	10	20	CDCD	
COc1cccc(CN2CCC(OCCCN)CC2)c1O	94070446	XNHLJJGIWYYDIQ-UHFFFAOYSA-N	294.395	1.731	10	20	CDCD	
CO[C@H]1CN(Cc2cc(C)c(C)cc2O)C[C@H]1OC	277101874	VKVFVQYHXXCFHR-GASCZTMLSA-N	265.353	1.855	10	20	CDCD	
Cn1ccnc1[C@H]1CCN(C(=O)c2cccc(O)c2O)C1	366013630	OULHDFORUZESLJ-JTQLQIEISA-N	287.319	1.461	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)[C@@H]1CCCCS1	272937295	LHCGRACIWOLVJR-LBPRGKRZSA-N	267.350	2.000	10	20	CDCD	
Cn1cnc(C(=O)NCc2ccc(N3CCCC3)cc2)n1	289504423	LDRFSSZUWOZDDC-UHFFFAOYSA-N	285.351	1.345	10	20	CDCD	
COC(=O)/C=C/c1ccc(OC)c(OCC(=O)C(C)=O)c1	289695289	QNJLTHJGUUZWAY-FNORWQNLSA-N	292.287	1.418	10	20	CDCD	
OCCCN1CCC[C@H](NCc2cccc(Cl)c2O)C1	295209138	ZTOIXHOVTIENGS-ZDUSSCGKSA-N	298.814	1.982	10	20	CDCD	
CCOC[C@@H](O)CN[C@H](C)Cc1ccc(N(C)C)cc1C	819373925	DZPNLZNWSGDIQU-PBHICJAKSA-N	294.439	1.979	10	20	CDCD	
CC(C)OCCN1C(=O)CN(Cc2ccccc2O)C1=O	819167572	FFCIUSWYHBTRCC-UHFFFAOYSA-N	292.335	1.581	10	20	CDCD	
COCCNCCN[C@@H](C)c1cc(Cl)ccc1O	817964405	BJTCNNTVFLZPSU-JTQLQIEISA-N	272.776	1.932	10	20	CDCD	
CCn1nc(C)c(CNC(=O)c2cc(O)cs2)n1	822371557	WGERGKUPAQWPPK-UHFFFAOYSA-N	266.326	1.304	10	20	CDCD	
CN(C)c1ccc(OCC(=O)N=S(C)(C)=O)cc1	902732967	BOLQVOGAEMSIQN-UHFFFAOYSA-N	270.354	1.386	10	20	CDCD	
CC[C@H](O)[C@@H](C)C(=O)N[C@H](C)c1cc(OC)ccc1O	901128043	UDBLILBIGCTLNI-BREBYQMCSA-N	281.352	1.985	10	20	CDCD	
CCNC(=O)[C@@H](NC(=O)c1cc(O)cs1)C(C)C	832862047	NGMORRXWSDEGDL-JTQLQIEISA-N	270.354	1.344	10	20	CDCD	
C[C@](O)(C(=O)NCc1ccc(O)cc1O)C1CCC1	910945416	VMKRFNAZQOPQIZ-CQSZACIVSA-N	265.309	1.265	10	20	CDCD	
COCCC[C@H](C)C(=O)NCc1ccc(O)cc1O	910949992	RSGDRZKOYADWMI-JTQLQIEISA-N	267.325	1.777	10	20	CDCD	
COCC(C)(C)NC(=O)NCCc1ccc(N)cc1	841961046	ZSYAKSSQIDUZSK-UHFFFAOYSA-N	265.357	1.536	10	20	CDCD	
COc1ccc(N2CCN(C[C@@H]3CCC(=O)N3)CC2)cc1	844268204	OWEXNVRIJJFDIX-ZDUSSCGKSA-N	289.379	1.096	10	20	CDCD	
COC[C@](C)(O)CNCc1ccc(N(C)C)cc1C	840933531	GMKYGMOUYYORBK-OAHLLOKOSA-N	266.385	1.548	10	20	CDCD	
CN(C)c1ccc(CNCC[C@@H]2CCNC2)cc1F	841036502	PFGLSBWUFINTKU-LBPRGKRZSA-N	265.376	1.981	10	20	CDCD	
CN(C)c1ccc(CN2CC(S(C)(=O)=O)C2)cc1F	841887145	FTGWNNLXZASIMJ-UHFFFAOYSA-N	286.372	1.121	10	20	CDCD	
COc1cc(O)c(CN2CC[C@]3(CCNC3)C2)cc1OC	843120432	KOFAFAGDLSSGMP-INIZCTEOSA-N	292.379	1.595	10	20	CDCD	
CCN1C(=O)C(C)(C)N[C@@H]1c1cc(OC)ccc1O	840831652	ILTCAIMRHLRROB-LBPRGKRZSA-N	264.325	1.630	10	20	CDCD	
CCOc1ccc(CN2CC(N3CC[C@@H](O)C3)C2)c(O)c1	846068457	SNKDKMAOOSAIIO-CQSZACIVSA-N	292.379	1.042	10	20	CDCD	
C[C@H](O)[C@@H]1CCCN(C(=O)c2cc(O)cs2)C1	747617033	NYOOQXZDFDWIRM-DTWKUNHWSA-N	255.339	1.687	10	20	CDCD	
Nc1ccc(Cc2noc(CCN3CCCC3=O)n2)cc1	843159512	RPWJROOCPYOTQT-UHFFFAOYSA-N	286.335	1.408	10	20	CDCD	
C[C@H](O)[C@H](O)CN(Cc1ccccc1O)C1CCCC1	929636681	YTUVAESGIGHMRD-BLLLJJGKSA-N	279.380	1.879	10	20	CDCD	
O=C1CN(C(=O)c2cc(O)cs2)[C@H]2CCCC[C@H]2N1	759099217	KHTJHBLDOGKBOC-ZJUUUORDSA-N	280.349	1.337	10	20	CDCD	
COc1ccc(N(C)CCN2CCOC2=O)c(OC)c1	752123794	FXXFWJSUPDQXLV-UHFFFAOYSA-N	280.324	1.592	10	20	CDCD	
C[C@@H](NC(=O)CCNCC1CC1)c1ccccc1O	870988529	RSXGDCGSMUFOOW-LLVKDONJSA-N	262.353	1.959	10	20	CDCD	
Cc1ccc([C@@H](C)NC[C@]2(O)CCN(C)C2)c(O)c1C	762784853	ALRURKXCGZFVJB-CZUORRHYSA-N	278.396	1.726	10	20	CDCD	
CCOc1ccc(O)c(CN(C)[C@]2(CO)CCOC2)c1	862427137	UJFPKPFYVYLXQT-HNNXBMFYSA-N	281.352	1.374	10	20	CDCD	
CC[C@H](NC(C)=O)C(=O)NCc1ccc(N(C)C)c(F)c1	865051287	IVIDRNMPSNHPKJ-ZDUSSCGKSA-N	295.358	1.423	10	20	CDCD	
CCCC[C@@H](NC(N)=O)C(=O)NCc1cc(C)ccc1O	862759135	WZEQBAOYYYSBLN-GFCCVEGCSA-N	293.367	1.544	10	20	CDCD	
CCOC(=O)[C@H](C)NCc1cc(OC)c(OC)cc1O	763271210	FOGZUDJMXAWFDQ-VIFPVBQESA-N	283.324	1.451	10	20	CDCD	
CN(CCNC(=O)N(C)C)Cc1c(O)cccc1Cl	779432603	WKCSFWYPMJRYPK-UHFFFAOYSA-N	285.775	1.749	10	20	CDCD	
CCc1nnc(CNC(=O)NCc2ccc(N)cc2)s1	1120621785	CEIAWMYGYUJCBF-UHFFFAOYSA-N	291.380	1.682	10	20	CDCD	
COc1cc(O)c(CN[C@@H](C)c2ncnn2C)cc1OC	789588662	KASCZOLEQRTMAA-VIFPVBQESA-N	292.339	1.389	10	20	CDCD	
COc1ccc(CNCCNC(=O)[C@H]2C[C@H]2C)cc1C	1122927736	FKAVDPJJRRWPKD-RISCZKNCSA-N	276.380	1.865	10	20	CDCD	
Cc1ccc(C(=O)NCc2ncccn2)c(O)c1O	780984586	NGFFJMOXJXCHPH-UHFFFAOYSA-N	259.265	1.126	10	20	CDCD	
CCOC[C@@H](C(=O)OC)N(C)Cc1ccc(N(C)C)cc1	785752995	PCKVLUPQXDITQA-HNNXBMFYSA-N	294.395	1.763	10	20	CDCD	
COc1cc(CNC(=O)c2c(F)ccc(O)c2O)ccn1	789946387	INJADKBCIUOJNF-UHFFFAOYSA-N	292.266	1.571	10	20	CDCD	
C[C@H](NC(=O)c1c(F)ccc(O)c1O)C(=O)NC(C)(C)C	789963813	RJNWPYRAOGHAOO-ZETCQYMHSA-N	298.314	1.270	10	20	CDCD	
COc1ccc(CN[C@@H]2C(=O)NCC[C@@H]2C)c(O)c1OC	894255460	ZDSPNDCBRUUGHA-CABZTGNLSA-N	294.351	1.024	10	20	CDCD	
Cc1cc[nH]c1C(=O)NCCc1ccc(O)c(O)c1	797942414	DXZXEYUEKHPJSH-UHFFFAOYSA-N	260.293	1.707	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@H](N)CC2CC2)cc1	83449304	BBBYPTKXFFDNQT-CQSZACIVSA-N	261.369	1.496	10	20	CDCD	
Nc1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@H](F)C2)cc1	1326504189	ZBDLDKROAONWRO-JOYOIKCWSA-N	279.315	1.604	10	20	CDCD	
O[C@H]1C[C@@H](CNCc2ccc(N3CCOCC3)cc2)C1	720946100	CPUGVZXUVFCYNU-FZNQNYSPSA-N	276.380	1.384	10	20	CDCD	
COc1cccc(O)c1CNC[C@]1(O)CCO[C@@H]1C	788536532	PUEFYAHZRJNOHT-QMTHXVAHSA-N	267.325	1.030	10	20	CDCD	
CC[C@@H](NCc1ccc(N2CCN(C)CC2)cc1)[C@H](C)O	1261256415	GISANYQAIHUISW-WMLDXEAASA-N	291.439	1.687	10	20	CDCD	
CNc1cc(CNC(=O)NCc2ccc(N)cc2)ccn1	1578754352	GGZPBFLXTHWZJI-UHFFFAOYSA-N	285.351	1.705	10	20	CDCD	
CC(C)[C@H](C(=O)O)C(=O)NCc1c(O)cccc1O	1588807845	HTPDWRNBGSAHFX-NSHDSACASA-N	267.281	1.071	10	20	CDCD	
C[C@H]1C[C@@H](C(=O)O)CN(C(=O)c2cc(O)cs2)C1	1589272708	PRCJAJHPSFSSOV-JGVFFNPUSA-N	269.322	1.637	10	20	CDCD	
CCOc1ccc(CN2C[C@@H](O)C[C@H](C(=O)O)C2)c(O)c1	1597102079	MVLVPIBVELJFNM-RYUDHWBXSA-N	295.335	1.058	10	20	CDCD	
CCOCC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	5097782	MEQGJZVMEAIPNF-OAHLLOKOSA-N	293.411	1.508	10	20	CDCD	
CCNC(=O)[C@@H](C)NCc1ccc2c(c1)CCCO2	921490766	RCPHMWSWJHERQB-LLVKDONJSA-N	262.353	1.626	10	20	CDCD	
COC(=O)N(C)CCN[C@@H](C)c1ccc(F)cc1O	689594050	JNECNGNWINSAID-VIFPVBQESA-N	270.304	1.880	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CCC[C@@H](O)C2)c1O	50152786	JFUSGVAMBQKXJY-GFCCVEGCSA-N	267.300	1.691	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)Cn1cccn1	173203916	QLGHKOHBASNKFC-UHFFFAOYSA-N	286.335	1.375	10	20	CDCD	
COc1ccc(N(CC(=O)NC(N)=O)[C@@H](C)C2CC2)cc1	109774272	HDCVETAUAKAZIV-JTQLQIEISA-N	291.351	1.495	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)CCCS(C)(=O)=O	108891190	QFXRSMIVBKOZPR-UHFFFAOYSA-N	285.365	1.175	10	20	CDCD	
O=C(Cn1cccn1)NCCCSc1nccs1	114375722	CWGPOFFINDNNAZ-UHFFFAOYSA-N	282.394	1.638	10	20	CDCD	
CS(=O)(=O)[C@@H]1CCN(Cc2ccccc2O)C1	281921985	AFHACKXZZSBVRU-LLVKDONJSA-N	255.339	1.011	10	20	CDCD	
CNC(=O)[C@@H]1CCCN(Cc2ccc(N(C)C)c(F)c2)C1	125057840	VOWPFWTXHLMDJH-CYBMUJFWSA-N	293.386	1.850	10	20	CDCD	
CCOc1ccc(O)c(CNC[C@@](C)(O)CSC)c1	120616477	NSXDLYRLUOQKFB-CQSZACIVSA-N	285.409	1.995	10	20	CDCD	
N[C@@H]1CCCC[C@H]1NC(=O)c1cccc(O)c1O	126657600	UIDQBBAOVPDJJS-NXEZZACHSA-N	250.298	1.098	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@]12CCOC2	368092771	LVEOBGBGIHDNOP-WFASDCNBSA-N	261.321	1.777	10	20	CDCD	
NC(=O)c1ccccc1NC(=O)/C=C/c1ccc(O)c(O)c1	180608867	NNGLEGXLEZRZRQ-SOFGYWHQSA-N	298.298	1.849	10	20	CDCD	
COC[C@@H](CNCc1cccc(Cl)c1O)OC	227717427	DTCDMDPXHRTDIX-SNVBAGLBSA-N	259.733	1.797	10	20	CDCD	
CCN(CCCS(N)(=O)=O)c1ccc(OC)cc1	264224893	WRFWZLKDKQHRCF-UHFFFAOYSA-N	272.370	1.200	10	20	CDCD	
Oc1c(F)cc(Cl)cc1CNC[C@H]1COCCN1	530182026	QCHLKZSBHRRUGL-JTQLQIEISA-N	274.723	1.263	10	20	CDCD	
COC[C@H]1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2O)C1	278309956	WPSVAQXHVBXHFJ-JTQLQIEISA-N	296.323	1.777	10	20	CDCD	
CC[C@H](C(=O)OC)C(=O)N(C)Cc1ccc(N(C)C)cc1	276606421	IXSIISVETIRGQE-AWEZNQCLSA-N	292.379	1.910	10	20	CDCD	
C[C@H](NC[C@@H](O)C1CCOCC1)c1cc(F)ccc1O	273467817	JEQJOVQUUZZACC-ZUZCIYMTSA-N	283.343	1.969	10	20	CDCD	
CN(C)[C@@H]1CCCC[C@@H]1NC(=O)Cc1ccc(N)cc1	1349486088	DCNMCASZTGYHBT-LSDHHAIUSA-N	275.396	1.800	10	20	CDCD	
CN(C)c1ccc(CN2CC[C@](F)(CO)C2)cc1	802010808	HMKOLXBERLMAMJ-CQSZACIVSA-N	252.333	1.659	10	20	CDCD	
CCCN1C[C@@H](CNCc2cc(F)ccc2O)CC1=O	817410891	JKLLAIITCQLJBR-LLVKDONJSA-N	280.343	1.879	10	20	CDCD	
CCN(C)c1ccc(CN2CC[C@@H](CO)[C@H](O)C2)cc1	815101382	XTTMHBPKLQKUFE-GOEBONIOSA-N	278.396	1.318	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2CC3(CCOC3)C2)c1O	816668997	DOAFCEZNUATPBQ-UHFFFAOYSA-N	294.307	1.531	10	20	CDCD	
OCC1(O)CCN(Cc2ccc3ccccc3c2O)CC1	827147498	SFRIPWCOJAEBKR-UHFFFAOYSA-N	287.359	1.865	10	20	CDCD	
CC(C)(C)OC(=O)COC(=O)c1cc(O)cs1	731909797	KPSYEYQHKLHBCI-UHFFFAOYSA-N	258.295	1.952	10	20	CDCD	
Cc1cnc(/C=C2/SC(N3CCOCC3)=NC2=O)s1	834412755	QLLYDASLTRSONX-RMKNXTFCSA-N	295.389	1.754	10	20	CDCD	
CCO[C@@H]1COC[C@H]1N[C@H](C)c1ccccc1O	834902510	BWMXWULGXGXYQZ-MPKXVKKWSA-N	251.326	1.847	10	20	CDCD	
Nc1ccc(OCc2cn(C[C@H]3CCCO3)nn2)cc1	864644443	GICKTTJPXWDSMP-CQSZACIVSA-N	274.324	1.618	10	20	CDCD	
Nc1ccc(NC(=O)C(=O)NC2[C@H]3[C@H]4CC[C@@H](C4)[C@H]23)cc1	841077581	BVLAFCKEZYQRJJ-VDUILEQBSA-N	285.347	1.368	10	20	CDCD	
CN(C(=O)c1cn(C)nc1-c1cccnc1)c1cn[nH]c1	748387079	MGVATNAZYPIAOE-UHFFFAOYSA-N	282.307	1.482	10	20	CDCD	
CCC[C@H](O)[C@@H](CO)NCc1c(O)ccc(Cl)c1F	842227160	RJRDEHXYQDBODU-PWSUYJOCSA-N	291.750	1.796	10	20	CDCD	
COc1ccc(N(C)CCN(C)C[C@H](O)CSC)cc1	844402290	SEPUCMREHXHORY-AWEZNQCLSA-N	298.452	1.787	10	20	CDCD	
C[C@H]1CCCN(C(=O)C(=O)Nc2ccc(N)cc2)CC1	841025833	JPRIGKJUNZWHDD-NSHDSACASA-N	275.352	1.856	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H]2CCCN2)c1	841937208	PEBJAOKZHQMCDW-GHMZBOCLSA-N	293.367	1.513	10	20	CDCD	
NC[C@@H]1CC[C@H](NCc2cc3c(cc2O)OCO3)C1	841084637	MHGCIHJBUUHFCO-KOLCDFICSA-N	264.325	1.338	10	20	CDCD	
Cc1nc(COC(=O)c2cccc(O)c2O)no1	758564012	ZEOPLELHPNGBAN-UHFFFAOYSA-N	250.210	1.146	10	20	CDCD	
CCOC(C)(C)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	867301925	HUWSICHTQHLSQD-JTQLQIEISA-N	281.352	1.960	10	20	CDCD	
Cc1cc(OCC(=O)NCCc2ccc(O)c(O)c2)no1	762262359	XZPOMSGVRFHRKA-UHFFFAOYSA-N	292.291	1.132	10	20	CDCD	
C[C@H]1CN(Cc2cc3c(cc2O)OC[C@@H]3O)C[C@@H](C)O1	768438358	RTJRPPKVRBCCJE-RBZYPMLTSA-N	279.336	1.427	10	20	CDCD	
CO[C@@]1(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2O)CCOC1	763575200	RBQICTJLUVCXRU-IINYFYTJSA-N	296.323	1.757	10	20	CDCD	
CC[S@](=O)CCNC(=O)N[C@H](C)c1ccccc1O	868266018	MWWQTJCZJZZVLS-DGIBIBHMSA-N	284.381	1.521	10	20	CDCD	
Nc1ccc(NC(=O)C(=O)NCC2CC=CC2)cc1	861510069	SEDDPNSIRKWMRC-UHFFFAOYSA-N	259.309	1.290	10	20	CDCD	
CC(=O)c1cc(O)ccc1NS(=O)(=O)N1CCCC1	766048804	WHDXOTQNQMNVHH-UHFFFAOYSA-N	284.337	1.347	10	20	CDCD	
COC[C@H]1CCN(Cc2cc3c(cc2O)OC[C@@H]3O)C1	768446212	LCXPKFKSIRWELT-HZMBPMFUSA-N	279.336	1.286	10	20	CDCD	
CO[C@H]1C[C@H](NC(=O)NCc2ccc(N)cc2)C1(C)C	1120610463	ONJZJWKJCPPPDV-STQMWFEESA-N	277.368	1.882	10	20	CDCD	
COc1cc(C)cc([C@H]2NC(=O)[C@H]3CSCCN32)c1O	887330102	XXDAENDOYMYFRZ-MFKMUULPSA-N	294.376	1.255	10	20	CDCD	
COC(=O)CCN(Cc1ccc(N)cc1)C[C@H]1CCCO1	1120262633	BNGFQGQWRSNJNM-OAHLLOKOSA-N	292.379	1.813	10	20	CDCD	
C[C@H]1CN(C)C(=O)CN1Cc1cc(F)ccc1O	783733541	MDCKVGJEWYVXFM-VIFPVBQESA-N	252.289	1.194	10	20	CDCD	
COc1cccc(O)c1CN1CC[C@@H]([C@@H](C)O)C1	780787242	TWOHPQDKDGQOPD-GHMZBOCLSA-N	251.326	1.604	10	20	CDCD	
C/C=C\C[C@H](CO)NCc1ccc(OC)c(OC)c1O	893661835	SDFQUAKSKSBWSF-QMAVJUDZSA-N	281.352	1.826	10	20	CDCD	
COC[C@H](CNCc1cc(C)cc(OC)c1O)OC	894435018	ZOLQJTLTUIOUCT-LBPRGKRZSA-N	269.341	1.460	10	20	CDCD	
COc1cccc(CNC(=O)c2c[nH]cc(C)c2=O)c1O	781423735	XJWXMVBSRXGBFF-UHFFFAOYSA-N	288.303	1.328	10	20	CDCD	
COc1cccc(CN[C@@H](C)COC(C)=O)c1O	894457472	BTWIBSPWVBFBFT-VIFPVBQESA-N	253.298	1.442	10	20	CDCD	
COc1ccc(CN[C@@H](CO)C(C)(C)C)c(O)c1OC	894066545	LGVUNQCZNSNBDR-LBPRGKRZSA-N	283.368	1.906	10	20	CDCD	
COc1cc(C)cc(CN[C@H](C)C2(CO)CC2)c1O	895253163	BZBHRIDFVRCWTP-LLVKDONJSA-N	265.353	1.960	10	20	CDCD	
COc1cc(C)cc(CN2CC[C@](F)(CO)C2)c1O	894686913	YEAUCPYSBBIKRM-CQSZACIVSA-N	269.316	1.616	10	20	CDCD	
CN1CC[C@@H]1CNCc1cc(Cl)cc(F)c1O	896593968	DHTPXTNBRONNRR-SNVBAGLBSA-N	258.724	1.978	10	20	CDCD	
OC[C@]12C[C@@H]1CN(Cc1c(O)ccc(Cl)c1F)C2	792180834	VHXTZQKAXRPFHV-AMIZOPFISA-N	271.719	1.999	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@@]1(F)CCOC1	1323623171	ZHGCLHIXHUZPKX-OAHLLOKOSA-N	280.343	1.806	10	20	CDCD	
COC1CCN(C(=O)NCCc2ccc(N)cc2)CC1	1335353028	PKKQPBBLIYESJQ-UHFFFAOYSA-N	277.368	1.632	10	20	CDCD	
CC(C)[C@H](C)N(C)C(=O)C(=O)N(C)Cc1ccccc1O	1344660335	GCNLRLHEHXVJBE-LBPRGKRZSA-N	292.379	1.854	10	20	CDCD	
CCNCCCNC(=O)NCc1ccc(N)cc1	1346462529	GXLDUJMNBBAOIL-UHFFFAOYSA-N	250.346	1.068	10	20	CDCD	
Cc1ccc(O)c(CNS(=O)(=O)CCC2CC2)c1	1261797163	YOHCXOSVZWKPTO-UHFFFAOYSA-N	269.366	1.920	10	20	CDCD	
C[C@H](NCc1ccc2c(c1)CCCO2)C(=O)N(C)C	922053055	BDNRRRNLFBSRCY-NSHDSACASA-N	262.353	1.578	10	20	CDCD	
CN(C)c1ccc(CNC(=O)C(=O)N[C@@H]2C=CCC2)cc1	1350638643	GNOUTWJRPMTVLH-CYBMUJFWSA-N	287.363	1.204	10	20	CDCD	
COc1ccc(CN2CCN[C@@H](C)[C@H]2C)c(O)c1OC	1579214049	UVTAOTQQJRHBSD-WDEREUQCSA-N	280.368	1.592	10	20	CDCD	
CC(C)C[C@H](CO)NC(=O)NCc1ccc(N)cc1	1575640313	QMVAQANBUJBJCG-CYBMUJFWSA-N	265.357	1.475	10	20	CDCD	
C[C@H](NCCC1(CN)CC1)c1cc(C(=O)O)ccc1O	1593262563	SURWCSURDBQFAG-JTQLQIEISA-N	278.352	1.870	10	20	CDCD	
C[C@@H]1C[C@@H]1[C@H](NCc1cc([N+](=O)[O-])ccc1O)C(=O)O	1776602630	OLTJRSWVOQWRDP-VHRDEZTHSA-N	280.280	1.499	10	20	CDCD	
CCN1CCc2cc(CN[C@@H]3COC[C@@H]3C(=O)O)ccc21	1776877656	VUEIEDQQDVEVKY-UONOGXRCSA-N	290.363	1.258	10	20	CDCD	
CC[C@H]1C(=O)NCCN1Cc1cc(OC)c(C)cc1O	160159245	KSULBVILDRFQQL-LBPRGKRZSA-N	278.352	1.420	10	20	CDCD	
CN(C)C(=O)[C@@H]1CCN(Cc2cc(F)ccc2O)C1	840957157	GRLIAVFUHKNRRV-SNVBAGLBSA-N	266.316	1.441	10	20	CDCD	
Cc1nc(CCNC(=O)c2cccc(O)c2O)cs1	228736135	AYELDVGWSWVWNB-UHFFFAOYSA-N	278.333	1.835	10	20	CDCD	
CN(CCO)Cc1cc(Br)ccc1O	127906498	HCBWTYKHTIVRDZ-UHFFFAOYSA-N	260.131	1.579	10	20	CDCD	
C[C@@H](Cn1ccnc1)NC(=O)Cc1ccc(N)cc1	36999359	FUFZNEXBBIAADW-NSHDSACASA-N	258.325	1.213	10	20	CDCD	
COc1ccc(CNCC(=O)NCC(F)F)cc1C	280247209	IRXNQKXZAUVBJB-UHFFFAOYSA-N	272.295	1.475	10	20	CDCD	
Cn1nncc1CNCc1c(O)cccc1Cl	288510784	SXPCDPVIPKLTNU-UHFFFAOYSA-N	252.705	1.464	10	20	CDCD	
CN(Cc1nccs1)C(=O)c1cccc(O)c1O	193118379	IRZHSHWPOURRIB-UHFFFAOYSA-N	264.306	1.827	10	20	CDCD	
COc1cccc(CN[C@H](CO)CC(F)(F)F)c1O	717766234	BNMMMWAABLMDIS-VIFPVBQESA-N	279.258	1.804	10	20	CDCD	
COc1cc(O)c(CN2CCO[C@H](C)C2)cc1OC	179435109	RAKIPOUAOHYRIY-SNVBAGLBSA-N	267.325	1.630	10	20	CDCD	
CCC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	68535582	KCPFJMNRBHNKAM-UHFFFAOYSA-N	262.353	1.892	10	20	CDCD	
COc1cccc(CN(C)[C@H]2CCCCNC2=O)c1O	123942518	KHNWNQOTSRPHTD-LBPRGKRZSA-N	278.352	1.501	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccn1C	183422714	PTTSPKGUFPBTFJ-SNVBAGLBSA-N	274.320	1.797	10	20	CDCD	
CC[C@](NC(=O)c1ccc(C)c(O)c1O)(C(N)=O)C(C)C	180303970	GYUMREGXTSVEJA-OAHLLOKOSA-N	294.351	1.426	10	20	CDCD	
COc1ccc(N(C)CC(=O)NC2CC2)c(OC)c1	132145633	BONAPUWAWNHCAK-UHFFFAOYSA-N	264.325	1.419	10	20	CDCD	
CSc1cc(O)ccc1NS(=O)(=O)c1cnn(C)c1	192155595	QRNYEIWHLHUZEB-UHFFFAOYSA-N	299.377	1.648	10	20	CDCD	
COc1cc(O)c(CN2CC[C@H](C)[C@H]2CO)cc1OC	191178608	KLYNGLIYOHDSOK-CMPLNLGQSA-N	281.352	1.612	10	20	CDCD	
COC(=O)[C@]1(F)CCN(Cc2ccc(N(C)C)cc2)C1	93887136	DTDHXZXLGXHULW-HNNXBMFYSA-N	280.343	1.840	10	20	CDCD	
CC(C)CN1CC(=O)N[C@H]1c1ccc2c(c1)CCN2C	269725095	WELWOFNBJRDMDV-MRXNPFEDSA-N	273.380	1.765	10	20	CDCD	
C[C@@H](NC(=O)C1CCCC1)C(=O)Nc1ccc(N)cc1	269109823	DNYZAEWYRHKDAB-SNVBAGLBSA-N	275.352	1.902	10	20	CDCD	
CC[C@H](N[C@H](CO)c1cnn(C)c1)c1ccccc1O	274812073	YBACIZUZYCQUQB-UONOGXRCSA-N	275.352	1.900	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@H](C)CCN(C)C)c1O	278911122	SPMIUTXEDLZMBQ-SNVBAGLBSA-N	297.355	1.739	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@@H](C)CCO)c1	273609658	VLZCGQHXAYBXJI-UWVGGRQHSA-N	267.325	1.600	10	20	CDCD	
COCCCOCC(=O)NCc1ccccc1O	271756379	APDWYPFJHAZLMA-UHFFFAOYSA-N	253.298	1.062	10	20	CDCD	
O=C(CC[C@H]1CCOC1)NCc1ccc(O)c(O)c1	272344249	PGNGRJUIAWETIM-JTQLQIEISA-N	265.309	1.531	10	20	CDCD	
COC(=O)[C@@]1(F)CCN(Cc2ccc(N(C)C)c(F)c2)C1	271172606	AIDZQQHTKHPOGM-OAHLLOKOSA-N	298.333	1.979	10	20	CDCD	
CCSCCCNC(=O)c1cccc(O)c1O	281946888	COGGAVHFULGSCM-UHFFFAOYSA-N	255.339	1.971	10	20	CDCD	
CN(c1ccc(/C=C\C(=O)O)cc1[N+](=O)[O-])[C@H]1CCOC1	384438438	LIMGUBUBWHNJTG-MZBZXASESA-N	292.291	1.918	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1cn(C)nn1	808394578	OKFFQCAJWIDSSB-UHFFFAOYSA-N	273.340	1.120	10	20	CDCD	
OC[C@@]1(F)CCN(Cc2c(O)cccc2Cl)C1	802660933	ZWPISTNGVMQBGP-GFCCVEGCSA-N	259.708	1.952	10	20	CDCD	
CC(=O)C(=O)CSc1n[nH]c(Cc2ccccc2)n1	808035741	ZMDCEEVNJFWDSK-UHFFFAOYSA-N	275.333	1.646	10	20	CDCD	
COC(=O)c1ccc(C(=O)NCc2ccc(O)c(O)c2)[nH]1	815835968	LCIUGDJAMWIRCP-UHFFFAOYSA-N	290.275	1.143	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1cnc(N)cn1	577496535	LBLWLBWDFZYYCT-UHFFFAOYSA-N	299.334	1.164	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H]2CCC[C@H]2OC)c1O	824903877	ONMSEDMQGCHJKF-ZYHUDNBSSA-N	296.323	1.966	10	20	CDCD	
C[C@@H](NC(=O)Cc1cnc[nH]1)c1ccc(N(C)C)cc1	907491112	ADXWDSWDEXPWSI-LLVKDONJSA-N	272.352	1.896	10	20	CDCD	
CO[C@@](C)(C(=O)O)C(=O)N[C@@H](C)c1ccccc1O	902516800	LITJRDTXGQPZFQ-ISVAXAHUSA-N	267.281	1.059	10	20	CDCD	
O=C1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1cc(O)cs1	831940817	LSXFAJUJFFMTPZ-MNOVXSKESA-N	295.360	1.664	10	20	CDCD	
O=C(CSC1CC1)OCC(=O)c1ccc(O)c(O)c1	837873408	YHGFLEMQCIWCDY-UHFFFAOYSA-N	282.317	1.719	10	20	CDCD	
Cn1cc(/C=C/C(=O)N2CCc3c2cccc3[N+](=O)[O-])cn1	737581871	MIKSLABAEHGJEK-AATRIKPKSA-N	298.302	1.931	10	20	CDCD	
COc1cccc(CNC(=O)CCSCC(=O)O)c1O	832553931	IHZGRHMUJRDHNP-UHFFFAOYSA-N	299.348	1.225	10	20	CDCD	
CN(C)c1ccc([C@@H](N)CNC(=O)[C@@]2(C)CCOC2)cc1	911667934	UNKLDIXERKPFGR-HOCLYGCPSA-N	291.395	1.295	10	20	CDCD	
O=C(CC1(O)CCCC1)NCc1ccc(O)cc1O	910950115	CLPCTKKCDYBOFU-UHFFFAOYSA-N	265.309	1.409	10	20	CDCD	
CNS(=O)(=O)CCN[C@H](C)c1ccc(Cl)cc1O	841751666	INCQCVHQERGKMJ-MRVPVSSYSA-N	292.788	1.245	10	20	CDCD	
C[C@@H](CN)NC(=O)NCc1ccc2c(c1)CCCN2C	841758199	FYTMRHSCEQUCDY-NSHDSACASA-N	276.384	1.215	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N[C@@H](CO)CCF)cc1	844780482	CVEWLURDWRUDEE-GFCCVEGCSA-N	283.347	1.272	10	20	CDCD	
Nc1ccc(Cc2noc([C@H]3CCC(=O)NC3)n2)cc1	843158985	JVWVLSCQRBSQPS-JTQLQIEISA-N	272.308	1.236	10	20	CDCD	
CCOc1ccc(O)c(CN[C@H]2COC[C@H]2C)c1	922641589	PCHRTVNFHYWRII-MFKMUULPSA-N	251.326	1.915	10	20	CDCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCCO	840489817	UYXRMQQNFFUESA-GFCCVEGCSA-N	279.384	1.284	10	20	CDCD	
C[C@H](NC(=O)[C@@H]1NC(=O)O[C@@H]1C)c1ccc(N(C)C)cc1	841423051	KPQYHCGOPWPXTJ-OPQQBVKSSA-N	291.351	1.427	10	20	CDCD	
C[C@@H]1COC[C@H]1NC(=O)NCc1cc(Cl)ccc1O	926021694	BCHBIHUDQJZJDK-LDYMZIIASA-N	284.743	1.880	10	20	CDCD	
O=C1CN(Cc2cccc(Br)c2O)CCCN1	769115951	QONUFFDGCVYPIV-UHFFFAOYSA-N	299.168	1.477	10	20	CDCD	
CC1(C)[C@@H]2CN(Cc3cc4c(cc3O)OC[C@@H]4O)C[C@H]21	768466516	RDTDHPJYHZSPCV-BZPMIXESSA-N	275.348	1.906	10	20	CDCD	
COC(=O)[C@@H]1C[C@@H](O)CN(Cc2c(C)cccc2O)C1	877607388	ACQHYCFALZZBDF-VXGBXAGGSA-N	279.336	1.056	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNCCC[C@@H](C)O)c1O	789759065	YGMDWEVQRDQNIN-SECBINFHSA-N	284.312	1.560	10	20	CDCD	
O=C(NCc1cccc(O)c1O)C1(F)CCCC1	1123977240	CNAWFYIOWZULOC-UHFFFAOYSA-N	253.273	1.996	10	20	CDCD	
C[C@@H]1NC(=O)[C@@H](C)N(Cc2cc(F)cc(F)c2O)[C@H]1C	895119966	GXILHNXSJHQDLI-XHNCKOQMSA-N	284.306	1.768	10	20	CDCD	
Cc1ccc(C(=O)NOCC(F)(F)F)c(O)c1O	780983291	LNZASNZQIALFBT-UHFFFAOYSA-N	265.187	1.630	10	20	CDCD	
COc1ccc(CN2C[C@H](C)C[C@@H](CO)C2)c(O)c1OC	894974872	JBBHBKSZUYKGNF-VXGBXAGGSA-N	295.379	1.860	10	20	CDCD	
CO[C@H](C)CN(C)Cc1cc2c(cc1O)OC[C@@H]2O	795748609	DAKNYLGHUHZPMR-RNCFNFMXSA-N	267.325	1.285	10	20	CDCD	
O=C(c1cc(O)cs1)N1CC([C@@H]2CCOC2)C1	792687245	XRTKXMCAIQQLJZ-MRVPVSSYSA-N	253.323	1.562	10	20	CDCD	
CCCNC(=O)CCNCc1ccc(N(C)C)cc1	44351644	AFQKCVUBWMZIIO-UHFFFAOYSA-N	263.385	1.759	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1CC=CCC1	1323591303	VYLYBNYHXZCPED-ZDUSSCGKSA-N	288.347	1.576	10	20	CDCD	
Nc1ccc(CNC(=O)NC2(CO)CCCC2)cc1	1337070339	NEVUJPGHHVJRSN-UHFFFAOYSA-N	263.341	1.373	10	20	CDCD	
COc1cc(O)c(CN2CC[C@H](C(=O)O)[C@H]2C)cc1OC	1610304066	MORPNDLTVBTTAJ-KOLCDFICSA-N	295.335	1.704	10	20	CDCD	
CN1CCCc2cc(CNC(=O)[C@@H]3CC[C@H](N)C3)ccc21	166474363	PEKFNGIVTGBTNH-CABCVRRESA-N	287.407	1.813	10	20	CDCD	
CN(CCS(C)(=O)=O)Cc1c(O)cccc1Cl	156086543	DUGNTAQNAAWKRZ-UHFFFAOYSA-N	277.773	1.522	10	20	CDCD	
COc1cccc(CNC(=O)/C=C/C2CCOCC2)c1O	155730716	IGOGSPBJOHHHRU-AATRIKPKSA-N	291.347	2.000	10	20	CDCD	
COc1ccc(O)c(CN2CC[C@H](C)[C@H](CN)C2)c1	253184043	HBBXTSLMFPTHAG-WCQYABFASA-N	264.369	1.818	10	20	CDCD	
COc1ccc(O)c(CNCc2snnc2C)c1	292694341	BSQYHCCMECFVFA-UHFFFAOYSA-N	265.338	1.851	10	20	CDCD	
O=C(NC1(CCO)CCCCC1)c1cccc(O)c1O	687326365	MCASAMNZVXQWHU-UHFFFAOYSA-N	279.336	1.913	10	20	CDCD	
CCN(CC)c1ccc(CN[C@@H]2COCC[C@H]2O)cc1	710862312	REBZFQDBBUHVFR-HZPDHXFCSA-N	278.396	1.772	10	20	CDCD	
COc1ccc(CNCCC[S@](C)=O)cc1C	134745563	KMRVEMCUUWUPCK-QGZVFWFLSA-N	255.383	1.862	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N[C@@H]2C[C@@H](O)C2(C)C)cc1	186964488	YHTNTVMNBZQJOW-ZIAGYGMSSA-N	291.395	1.711	10	20	CDCD	
CNC(=O)c1cccc(NC(=O)c2cccc(O)c2O)c1	186841010	HQWFOKWWQDAKIR-UHFFFAOYSA-N	286.287	1.710	10	20	CDCD	
CNC(=O)CN(C)Cc1cc(Br)ccc1O	132594449	XBXUSIFVEUVATF-UHFFFAOYSA-N	287.157	1.333	10	20	CDCD	
CN(C[C@@H](O)C(F)(F)F)C(=O)c1cccc(O)c1O	193152822	ZHKAZTLAVFEMPR-MRVPVSSYSA-N	279.214	1.093	10	20	CDCD	
CN(C)S(=O)(=O)NCc1ccc(N2CCCC2)cc1	42168630	FXDXRGQEPJFCEE-UHFFFAOYSA-N	283.397	1.183	10	20	CDCD	
CC(C)(O)CC(=O)NCc1ccc(N2CCOCC2)cc1	279587150	RBWJFKKTKLUASK-UHFFFAOYSA-N	292.379	1.300	10	20	CDCD	
COC(=O)COc1ccc(N(C)CCC(C)(C)O)cc1	273144916	WHTORGJDJIURQF-UHFFFAOYSA-N	281.352	1.836	10	20	CDCD	
CC(C)N1C[C@H](N[C@H]2CCc3cccc(O)c32)CC1=O	296840446	MYAKHTLQNMFXHD-OLZOCXBDSA-N	274.364	1.978	10	20	CDCD	
COc1cccc(CNCCCc2cnn(C)n2)c1O	293109162	YJEDTBAOIPLSAD-UHFFFAOYSA-N	276.340	1.252	10	20	CDCD	
C[C@@H]1COCC[C@@H]1CNC(=O)NCc1ccccc1O	805821208	GUPVLMCQPNKOCR-VXGBXAGGSA-N	278.352	1.864	10	20	CDCD	
C[C@@H](Cn1ccnc1)NC(=O)NCc1ccccc1O	299536812	UJGVEYXEOBTSSS-NSHDSACASA-N	274.324	1.477	10	20	CDCD	
CN(CC(N)=O)Cc1cc(Br)cc(F)c1O	715701100	CMGVHWVZRBLVGF-UHFFFAOYSA-N	291.120	1.211	10	20	CDCD	
C[C@H](NC[C@@H](N)c1ccc(N(C)C)cc1)[C@H]1CCCN1	817942964	SGSPMQDMOTWIIR-APHBMKBZSA-N	276.428	1.483	10	20	CDCD	
CN(C)CCN(C)CCCN(C)C(=O)c1cc(O)cs1	811542705	CXSKAWFYFYNCMF-UHFFFAOYSA-N	299.440	1.409	10	20	CDCD	
CN(C)c1ccc(CNC[C@@H](O)CN(C)C2CC2)cc1F	818984589	CULCTHKAJGHUFO-CQSZACIVSA-N	295.402	1.436	10	20	CDCD	
Nc1ccc(OCc2cn(C3CCOCC3)nn2)cc1	864624529	SSFXQGNPTHFNHE-UHFFFAOYSA-N	274.324	1.791	10	20	CDCD	
O=C(CN1CCOC1=O)NCc1cc(Cl)ccc1O	824213875	VBYAYPBSTMUTKD-UHFFFAOYSA-N	284.699	1.114	10	20	CDCD	
COCn1ccc(C(=O)N[C@H](C)c2ccccc2O)n1	827952642	ZOCWFBCKXDRXKL-SNVBAGLBSA-N	275.308	1.684	10	20	CDCD	
COc1cccc(CNc2cccc(-c3nn[nH]n3)n2)c1O	826216462	ZWGUZIGJGNCDHT-UHFFFAOYSA-N	298.306	1.588	10	20	CDCD	
Nc1ccc(NC(=O)[C@@H]2COCCN2CC(F)F)cc1	832250016	JKRZFJVMAREDNM-NSHDSACASA-N	285.294	1.173	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCC[C@@H]2COC[C@@H]21	839796209	AZRGIMQNAPNIDJ-SCZZXKLOSA-N	253.323	1.705	10	20	CDCD	
Cc1ccc(C(=O)N2[C@H](C)C(=O)N[C@@H](C)[C@H]2C)c(O)c1O	911794344	HTOBXLZMYQKCOU-IVZWLZJFSA-N	292.335	1.144	10	20	CDCD	
O=C1NCCC[C@@H]1CNCc1cc(Cl)cc(F)c1O	839195848	OKUNOGOESCPULV-MRVPVSSYSA-N	286.734	1.801	10	20	CDCD	
CSCCN(C)c1ccc(OCC(=O)O)cc1	846279923	QFCQDBPOYMAUGM-UHFFFAOYSA-N	255.339	1.949	10	20	CDCD	
COc1ccc(CNC(=N)Nc2ccccn2)c(O)c1	849094601	CSSSZKGUIRISJU-UHFFFAOYSA-N	272.308	1.932	10	20	CDCD	
COc1ccc([N+](=O)[O-])c(OCC(=O)C(C)=O)c1	842655138	JDUJRGUBKZBZKH-UHFFFAOYSA-N	253.210	1.140	10	20	CDCD	
CCN(CC)c1ccc(CN(C)C[C@@H](O)CN)cc1F	841091862	HULVOGRJUNDWOZ-ZDUSSCGKSA-N	283.391	1.423	10	20	CDCD	
C[C@H](CN)CNC(=O)NCc1ccc(N(C)C)cc1	841651777	AUPWFCQLQDGDQA-LLVKDONJSA-N	264.373	1.147	10	20	CDCD	
CC(C)(C)OCC(=O)NCc1ccc(O)cc1O	910949320	IZLIZLVRLMIZTA-UHFFFAOYSA-N	253.298	1.529	10	20	CDCD	
COC[C@@H](O)CN[C@@H](C)c1cccc(OC)c1O	846168338	SOPKSBXHNJZQML-UWVGGRQHSA-N	255.314	1.059	10	20	CDCD	
CCNC(=O)CN(C)CCN(C)c1ccc(OC)cc1	844399070	FQXZDNMPPZVMAA-UHFFFAOYSA-N	279.384	1.199	10	20	CDCD	
O=C(NCc1cc(Cl)ccc1O)N[C@@H]1CCOC1	845069128	CSIORQSUTOAKHN-SNVBAGLBSA-N	270.716	1.634	10	20	CDCD	
CN(CCCCCO)c1ccc(OCC(=O)O)cc1	846279439	DWZSEZXVZBXECT-UHFFFAOYSA-N	267.325	1.749	10	20	CDCD	
COc1cc(C)cc(CN2C[C@H]3C[C@H]2C(=O)O3)c1O	840110278	HQVMPEIDTCHRDC-MNOVXSKESA-N	263.293	1.209	10	20	CDCD	
Nc1ccc(CCNC(=O)NCCn2cccn2)cc1	841819954	GXEIWLVPBDGGQM-UHFFFAOYSA-N	273.340	1.007	10	20	CDCD	
C[C@H](CNC(=O)c1cc(O)cs1)CN1CCN(C)CC1	748362937	GPIZDAPKGLEXHB-LLVKDONJSA-N	297.424	1.067	10	20	CDCD	
CN(C)c1ccc([C@@H](N)CNC(=O)CCC(C)(C)N)cc1	843299085	RCJUZMWVVGNLHN-AWEZNQCLSA-N	292.427	1.386	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NCc2nnc(C)s2)c1	858353930	NTDSUPLHSPWERG-UHFFFAOYSA-N	292.364	1.860	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)C1(N(C)C)CC1	935946026	UFLHCSINFPWXJQ-UHFFFAOYSA-N	283.368	1.588	10	20	CDCD	
CC(C)(CCNC(=O)c1cc(O)cs1)S(C)(=O)=O	854937056	ASAPQFQTKGFJHY-UHFFFAOYSA-N	291.394	1.397	10	20	CDCD	
Cc1cccc(O)c1CN1CCN2CCOC[C@@H]2C1	877332000	WLXVOZLDHKWTHR-ZDUSSCGKSA-N	262.353	1.217	10	20	CDCD	
Cc1cccc(O)c1CNCCS(=O)(=O)C(C)C	877538233	YPRGDWZEJTXYSS-UHFFFAOYSA-N	271.382	1.613	10	20	CDCD	
COC(=O)[C@H](CC(F)F)NC(=O)c1cc(O)cs1	762358778	SJHRPZQCYSDBGH-LURJTMIESA-N	279.264	1.380	10	20	CDCD	
CN1CCN(c2ccc(CN3CCSCC3)cc2)CC1	775648317	RZCJUDVFCHGJLX-UHFFFAOYSA-N	291.464	1.987	10	20	CDCD	
CCN(C)c1ccc(CN2C[C@@H](CO)OC[C@@H]2C)cc1	773766351	SQVDGCSKMSBPCW-BBRMVZONSA-N	278.396	1.724	10	20	CDCD	
Cn1cc(CCNC(=O)/C=C\c2ccc(O)c(O)c2)cn1	779479745	ORPJGWBXUPVPEH-HYXAFXHYSA-N	287.319	1.203	10	20	CDCD	
Cc1cc(C(=O)NCc2ccc(O)c(O)c2)nn1C	778919782	MKEVRBGPVRFGBG-UHFFFAOYSA-N	261.281	1.070	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CCC(F)(F)C1	779545942	VHHCPUFOSOGDRJ-DUXPYHPUSA-N	269.247	1.979	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)c1csc(O)n1	771631598	GWGPLDMOJHJYND-UHFFFAOYSA-N	280.305	1.232	10	20	CDCD	
CN1CCCC[C@@H](C(=O)N(C)c2ccc(N)cc2)C1=O	877075353	AGDNDCBBXCVWFW-CYBMUJFWSA-N	275.352	1.490	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N[C@H]2C[C@@H](C(=O)O)C2)cc1	874382285	ADBHDWANIYHMJR-TXEJJXNPSA-N	291.351	1.415	10	20	CDCD	
CCOC(=O)C1(CNCc2cc(OC)ccc2O)CC1	770665762	NVCNEZXDUJIKAV-UHFFFAOYSA-N	279.336	1.834	10	20	CDCD	
COCC1(S(=O)(=O)Nc2ccc(O)cc2C(C)=O)CC1	882714272	RPWIMNDDELXXBA-UHFFFAOYSA-N	299.348	1.516	10	20	CDCD	
CCn1cc(CN(C)c2ccc3c(c2)OCO3)nn1	887545321	SFGSFTPIMOVXCM-UHFFFAOYSA-N	260.297	1.663	10	20	CDCD	
CCC[C@H](NC(=O)c1ccc(C)c(O)c1O)c1nn[nH]n1	780959408	JBMMYKLCHHNLCG-VIFPVBQESA-N	291.311	1.191	10	20	CDCD	
CC[C@H](O)c1cn(Cc2cc(F)cc(C(C)=O)c2O)nn1	880994398	AFVGDUKIWVGDDH-ZDUSSCGKSA-N	293.298	1.817	10	20	CDCD	
COc1cc(C)cc(CN(C)[C@H](CO)COC(C)C)c1O	894781223	CTAZTFHTGZQVIE-CQSZACIVSA-N	297.395	1.927	10	20	CDCD	
COc1ccc(CNCc2conc2C)c(O)c1OC	894697973	SSEZZEOTJILNGK-UHFFFAOYSA-N	278.308	1.996	10	20	CDCD	
CC1(C)CN(Cc2cc3c(cc2O)OCO3)CC[C@@H]1O	783727855	GPKQWXCAMHGGEN-AWEZNQCLSA-N	279.336	1.714	10	20	CDCD	
COc1ccc(CN[C@@H](C)CCN(C)C)c(O)c1OC	892762482	AJCBEBYHDJMEGL-NSHDSACASA-N	282.384	1.839	10	20	CDCD	
CCOCc1cc(CNC[C@H]2COCO2)ccc1OC	894871365	BWGIIPRVHOTDBL-AWEZNQCLSA-N	281.352	1.694	10	20	CDCD	
C[C@]1(O)CCCN(C(=O)c2cc(O)cs2)CC1	792681635	FJYXFDUVTODZQI-LBPRGKRZSA-N	255.339	1.831	10	20	CDCD	
O=C(NCc1cccc(F)n1)c1cccc(O)c1O	790902582	XYSDHWRFURXGJC-UHFFFAOYSA-N	262.240	1.562	10	20	CDCD	
CCOc1cccc(CN[C@@H](C(=O)O)C(C)C)c1O	43429699	IKVOAOWPCXGKCF-GFCCVEGCSA-N	267.325	1.990	10	20	CDCD	
CCON1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O	794770596	BBYBVWJZLAHWHN-UHFFFAOYSA-N	284.699	1.761	10	20	CDCD	
CCOC(=O)C1=NN(c2cc(F)ccc2F)C(=O)[C@@H]1C	899362167	MDTAIUBTQJLRBS-SSDOTTSWSA-N	282.246	1.867	10	20	CDCD	
C[C@@H](CO)NCc1c(O)cccc1Br	706821362	DDSXELVZBHSBTI-ZETCQYMHSA-N	260.131	1.625	10	20	CDCD	
CC[C@]1(CO)CCCN1C(=O)NCc1ccc(N)cc1	1338793148	MXWFVMZEVUNSQA-OAHLLOKOSA-N	277.368	1.715	10	20	CDCD	
CC(=O)N1CCCN(C(=O)NCc2ccc(N)cc2)CC1	1357791123	JJUJSIRCRFKUEX-UHFFFAOYSA-N	290.367	1.033	10	20	CDCD	
Cc1cccc(CN2CC[C@]3(CC(C(=O)O)=NO3)C2)c1O	1607850862	QCQSXCGWNXHMGR-HNNXBMFYSA-N	290.319	1.506	10	20	CDCD	
Cc1ccc(CN2CC[C@@]3(CC(C(=O)O)=NO3)C2)c(O)c1	1607780590	KJMSNIZPQJADSW-OAHLLOKOSA-N	290.319	1.506	10	20	CDCD	
Cn1cnc(/C=C\C(=O)N2CCCc3cc(N)ccc32)c1	1579982883	XWRRGHNIECMXPU-ALCCZGGFSA-N	282.347	1.995	10	20	CDCD	
CC[C@H](O)CN[C@@H](C)c1cc(C(=O)O)ccc1O	1597350549	GORAPDKYEGZNIS-WPRPVWTQSA-N	253.298	1.512	10	20	CDCD	
CNC(=O)CN1CCC(NCc2cccc(C)c2O)CC1	158102942	XAAQSXIDFVGTSO-UHFFFAOYSA-N	291.395	1.001	10	20	CDCD	
O=S1(=O)CCC(NCc2cc(Cl)ccc2O)CC1	36331653	MPYOBLYATQKZNT-UHFFFAOYSA-N	289.784	1.712	10	20	CDCD	
CN(Cc1ccccc1O)[C@H]1CCN(C2CC2)C1=O	1116346749	ZFOJJDFFWGDAKG-ZDUSSCGKSA-N	260.337	1.587	10	20	CDCD	
CCc1cccc(CN(CC)[C@@H]2CCNC2=O)c1O	848909690	ZQTAWPJAJAPNSH-CYBMUJFWSA-N	262.353	1.665	10	20	CDCD	
CN(C[C@@H]1CCCCO1)C(=O)Cc1ccc(N)cc1	48946524	WFXDCLYYNAWIEU-AWEZNQCLSA-N	262.353	1.839	10	20	CDCD	
C[C@H](C[S@@](C)=O)N[C@@H]1CCc2cccc(O)c21	296409290	KUESNOZDRRGGON-CINOJJQCSA-N	253.367	1.736	10	20	CDCD	
Cc1ccc([C@@H](C)N[C@@H]2CCN(S(C)(=O)=O)C2)c(O)c1	400150636	BJAPDAABRWUPOD-VXGBXAGGSA-N	298.408	1.385	10	20	CDCD	
CN(C)C(=O)N1CCN(Cc2ccccc2O)CC1	401658313	VXYAMHCUHBBMBE-UHFFFAOYSA-N	263.341	1.191	10	20	CDCD	
COc1cccc(CN2CCN[C@H](C)[C@@H]2C)c1O	379438476	OYLMKRJSPPKESP-MNOVXSKESA-N	250.342	1.583	10	20	CDCD	
OCC[C@H](NCc1cc(F)ccc1O)C(F)(F)F	820846764	LPFXUPBXNNIWQN-JTQLQIEISA-N	267.222	1.934	10	20	CDCD	
CC(=O)[C@H]1CCCCN1C(=O)c1cccc(O)c1O	854724333	PGQRKXHOLZELEB-LLVKDONJSA-N	263.293	1.682	10	20	CDCD	
CCOc1cccc(CNC[C@@H]2CN(C)CCN2C)c1O	68800168	FAGDUGHSUJFAEC-CQSZACIVSA-N	293.411	1.126	10	20	CDCD	
CN1CCCc2cc(CNC(=O)[C@@H]3COCCO3)ccc21	69960420	VEINCQWPFUHKRK-HNNXBMFYSA-N	290.363	1.101	10	20	CDCD	
COC(=O)[C@H]1[C@@H](O)CCCN1Cc1ccc(N(C)C)cc1	188789464	BGTGUNVUAKPHLT-LSDHHAIUSA-N	292.379	1.251	10	20	CDCD	
C/C=C/C[C@H](CO)NC(=O)c1ccc(C)c(O)c1O	187149326	NFJUROXMJZIUBA-HMDXOVGESA-N	265.309	1.463	10	20	CDCD	
C[C@H](NC[C@]1(O)CCOC1)c1cc(Cl)ccc1O	186177485	QZFPMJNHPZFZAQ-TVQRCGJNSA-N	271.744	1.848	10	20	CDCD	
CCN1CC(=O)N[C@H]1c1cc(Cl)cc([N+](=O)[O-])c1O	189866405	ZYVCHIMDZUINCR-LLVKDONJSA-N	285.687	1.404	10	20	CDCD	
COc1cccc(CN2CC[C@@H]([C@@H](C)N)C2)c1O	126851987	RVPXCGSBIIYMAA-GHMZBOCLSA-N	250.342	1.570	10	20	CDCD	
Cn1cc(CNCc2ccc(N3CCOCC3)cc2)cn1	41159004	FPNNUEODXCRWJY-UHFFFAOYSA-N	286.379	1.547	10	20	CDCD	
C[C@H](N)[C@@H](C)C(=O)NCc1ccc2c(c1)CCCN2C	192104560	NAJNSQABSQZCKM-NEPJUHHUSA-N	275.396	1.669	10	20	CDCD	
C[C@]1(C(=O)NCCc2ccc(N)cc2)CCCCN1	237761344	IWLFJSSUCCAZQP-OAHLLOKOSA-N	261.369	1.460	10	20	CDCD	
O=C(CCOCC(F)F)NCc1ccccc1O	232334236	KMGSSZVJTFXBDE-UHFFFAOYSA-N	259.252	1.680	10	20	CDCD	
OC[C@]1(NCc2cccc(Cl)c2O)CCOC1	184193803	QZVVLEAPYPCKPQ-GFCCVEGCSA-N	257.717	1.287	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)c1cnn(C2CC2)c1	528864737	RMNIOGWBSNWASN-UHFFFAOYSA-N	273.292	1.559	10	20	CDCD	
COc1cc(N(C)CC(OC)OC)cc(OC)c1OC	275463213	NHEYFCPRZPZIIY-UHFFFAOYSA-N	285.340	1.768	10	20	CDCD	
Cn1cc(N2CC[C@@H](NCc3cc(F)ccc3O)C2)cn1	371496119	HMHZWCSSWFERBH-CYBMUJFWSA-N	290.342	1.633	10	20	CDCD	
CN(C)c1ccc(CN2CC[C@H](CC(N)=O)C2)cc1	377527573	YCEVETACDYCQPT-CYBMUJFWSA-N	261.369	1.450	10	20	CDCD	
CC(=O)C(=O)COC(=O)c1ccc2ccccc2n1	808488643	MIBNQYJJEDLMMK-UHFFFAOYSA-N	257.245	1.550	10	20	CDCD	
CN1CCN(CCCN[C@H]2CCc3cccc(O)c32)CC1	295892056	IGJWOFQKWLIATJ-HNNXBMFYSA-N	289.423	1.607	10	20	CDCD	
Cc1cc(CN(CCO)CCO)ccc1N1CCCCC1	827674434	HGNJSASGTUHRFO-UHFFFAOYSA-N	292.423	1.772	10	20	CDCD	
Cc1cc(O)c(CNCC(=O)NC2CC2)cc1Cl	825934101	HAGUIUSPCQURCT-UHFFFAOYSA-N	268.744	1.722	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)[C@@H](O)C2CC2)cc1	822607591	LCNFFNKDMYIUBH-HNNXBMFYSA-N	276.380	1.920	10	20	CDCD	
COC[C@H](C)n1ccc(NC(=O)Cc2ccc(N)cc2)n1	832002301	GZGUIMFIDGSLID-NSHDSACASA-N	288.351	1.854	10	20	CDCD	
O=C(O)CN(Cc1cc2c(cc1O)OCO2)C1CC1	738607233	COTMKRCYONRFEZ-UHFFFAOYSA-N	265.265	1.170	10	20	CDCD	
O=C(O)/C=C\c1ccc(N2CC[C@@H](CO)C2)c([N+](=O)[O-])c1	739626927	WCABDQGHRHDYJV-CJHWANRJSA-N	292.291	1.511	10	20	CDCD	
C[C@H](N=c1nc[nH]n1C)c1ccc(N2CCOCC2)cc1	846748208	KDOPCEMCXQMSOB-LBPRGKRZSA-N	287.367	1.247	10	20	CDCD	
O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccc(C(=O)O)o1	740318335	ZYKXXXSUFCRTGY-DHZHZOJOSA-N	298.254	1.439	10	20	CDCD	
CCS(=O)(=O)CCCNCc1cc(OC)ccc1O	840973563	QBGHIFBMKRXDDD-UHFFFAOYSA-N	287.381	1.315	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2CCC[C@H](CN)C2)c1O	843047759	SMUFYKXAEUBFAA-SNVBAGLBSA-N	295.339	1.480	10	20	CDCD	
CC[C@H](N)CNC(=O)NCc1ccc2c(c1)CCCN2C	841760299	UJYZZIJQXFTNSZ-AWEZNQCLSA-N	290.411	1.606	10	20	CDCD	
CS(=O)(=O)C1CN(Cc2c(O)cccc2Cl)C1	841886993	BCOMDHGRVXAVCD-UHFFFAOYSA-N	275.757	1.274	10	20	CDCD	
O=C(NCc1ccccc1O)[C@H]1CCc2ncncc2C1	843832489	NQFYFNLMKPYZEP-NSHDSACASA-N	283.331	1.604	10	20	CDCD	
CN(CCOCC1CC1)C(=O)NCCc1ccc(N)cc1	841957847	MIEJXCXCQLUINR-UHFFFAOYSA-N	291.395	1.879	10	20	CDCD	
CC(C)[C@](C)(CN)NCc1ccc(N2CCOCC2)cc1	923296431	RUETWORSSDBMBX-KRWDZBQOSA-N	291.439	1.986	10	20	CDCD	
C[C@H](NC[C@H](O)CN(C)C)c1cc(Cl)ccc1O	756554889	JVKLLICYMFTDSO-ONGXEEELSA-N	272.776	1.619	10	20	CDCD	
Cc1cc(CN2CCC(O)(CN)CC2)ccc1N(C)C	923381779	OFKOHJGEZYXBKW-UHFFFAOYSA-N	277.412	1.347	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1C[C@H]2CC[C@H]1[C@H](O)C2	925056919	KYRYYHJFPCEARB-GQIAIRCSSA-N	289.331	1.483	10	20	CDCD	
CON(C)C(=O)[C@@H](C)NCc1ccc2c(c1)CCO2	858324621	CLGZRUBOSFXMTG-SNVBAGLBSA-N	264.325	1.119	10	20	CDCD	
Cn1cc([C@H](O)CNCc2ccc3c(c2)CCCO3)cn1	921779734	AHSOBPPAEJOFIB-OAHLLOKOSA-N	287.363	1.568	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NC[C@@]2(C)CCOC2)c1	858217129	LNTRRQMQIZJKEB-OAHLLOKOSA-N	278.352	1.926	10	20	CDCD	
CN(C)c1cc(F)c(CN2CCOCC2)cc1F	862210165	BMZADYGFMLXPDS-UHFFFAOYSA-N	256.296	1.863	10	20	CDCD	
C[C@H](N[C@H](C)c1ccccc1O)C(=O)Nc1ncccn1	879648564	UBUWNNPALYJHBA-MNOVXSKESA-N	286.335	1.860	10	20	CDCD	
OC[C@@H]1CN(Cc2ccc3ccccc3c2O)C[C@@H]1CO	877764838	NAERFMFGKULUFW-GASCZTMLSA-N	287.359	1.578	10	20	CDCD	
CCn1ccc(CC(=O)N(C)c2ccc(N)cc2)n1	877075021	YMKXJEHOKGREEC-UHFFFAOYSA-N	258.325	1.691	10	20	CDCD	
Cc1ccc(CN(C)[C@@H](C)CS(C)(=O)=O)c(O)c1	876734501	UZJRMNAKNJGANU-NSHDSACASA-N	271.382	1.566	10	20	CDCD	
CC[C@@H](CO)C(=O)NCc1cc(OC)ccc1O	779813111	QJKFHUFKXQBETE-VIFPVBQESA-N	253.298	1.036	10	20	CDCD	
CCCOc1ccc(CN[C@@H](CO)COC)cc1C	873117739	MXAHUJWOPCJQDF-AWEZNQCLSA-N	267.369	1.881	10	20	CDCD	
Cc1ccc(C(=O)OCCn2ccnc2C)c(O)c1O	771940238	ZMAOAHWRXYOCMK-UHFFFAOYSA-N	276.292	1.768	10	20	CDCD	
CC[C@](C)(N)c1cn(Cc2ccc(N(C)C)cc2)nn1	881272488	XODQYLXULZMCEM-HNNXBMFYSA-N	273.384	1.976	10	20	CDCD	
CN(Cc1ccccc1O)c1nnc([C@@H](O)C2CC2)n1C	1121441551	ODNJPVWIMCGZCK-ZDUSSCGKSA-N	288.351	1.601	10	20	CDCD	
CO[C@H](C)CCNC(=O)NCc1ccc(N)cc1	1120500970	TXHCMSYFEMADRZ-SNVBAGLBSA-N	251.330	1.493	10	20	CDCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C[C@@H](O)CO	782135910	MBNXVHRUVDEOEK-OAHLLOKOSA-N	266.385	1.316	10	20	CDCD	
Cc1ccc(C(=O)N(CC(N)=O)C2CCCC2)c(O)c1O	780895513	WRKFPLWYRQFCMD-UHFFFAOYSA-N	292.335	1.276	10	20	CDCD	
COc1ccc(O)c(CN[C@H]2C(=O)NCC2(C)C)c1	895315317	DICAYKUCFUXZBK-LBPRGKRZSA-N	264.325	1.015	10	20	CDCD	
C[C@@H](C[C@H]1CCOC1)NC(=O)c1cccc(O)c1O	790882936	SWWLMBUZFAPOFT-VHSXEESVSA-N	265.309	1.643	10	20	CDCD	
CCNC(=O)CN(CC)Cc1cccc(OCC)c1O	133622821	XKEDQNPINOGUID-UHFFFAOYSA-N	280.368	1.749	10	20	CDCD	
NC(=O)c1ccc(CNCc2ccccc2O)cc1	134225131	GBBSARARCQEESV-UHFFFAOYSA-N	256.305	1.781	10	20	CDCD	
Nc1ccc(CNC(=O)N2CCC(CO)CC2)cc1	1353540566	VZLJBIJEDDLMAB-UHFFFAOYSA-N	263.341	1.183	10	20	CDCD	
Oc1c(F)cc(F)cc1CNC[C@@H](O)C1CCC1	708454317	PIPMMEOOSYWWNH-GFCCVEGCSA-N	257.280	1.921	10	20	CDCD	
CN1CCN(C)[C@H](CNCc2cc(Cl)ccc2O)C1	68802003	RTCKDJWNIBKPKY-CYBMUJFWSA-N	283.803	1.381	10	20	CDCD	
O=C(NCc1nc2c(s1)CCC2)c1cccc(O)c1O	719479707	BMWMGQKKWGDOHR-UHFFFAOYSA-N	290.344	1.973	10	20	CDCD	
COCCN1CC[C@H](NCc2cc(Cl)ccc2O)C1	730818412	UTKPVWAWHXBRMY-ZDUSSCGKSA-N	284.787	1.856	10	20	CDCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NC[C@H]1CNCCO1	1331835583	RIBGSHBEUZESPV-UPJWGTAASA-N	276.380	1.827	10	20	CDCD	
Nc1ccc(CNC(=O)NC[C@H]2CCCCO2)cc1	1335382981	SDOIXLRHMQSXOE-CYBMUJFWSA-N	263.341	1.637	10	20	CDCD	
COc1ccc(CNCC2([S@@](C)=O)CC2)c(O)c1OC	1262370866	SZYZNURJEPVMKX-HXUWFJFHSA-N	299.392	1.410	10	20	CDCD	
C[C@@H](NC1CC1)C(=O)NCc1c(O)cccc1F	1263199988	WVSOLKZDMFMCAJ-MRVPVSSYSA-N	252.289	1.288	10	20	CDCD	
Nc1ccc(CNC(=O)N(CCO)CC2CC2)cc1	1346738444	HXOJVFUUGQXGNF-UHFFFAOYSA-N	263.341	1.183	10	20	CDCD	
O=C(O)[C@]1(O)CCN(Cc2c(O)ccc(Cl)c2F)C1	1601722760	UYKDNOWYAZKIGI-LBPRGKRZSA-N	289.690	1.206	10	20	CDCD	
CC[C@@H](NCCF)c1cccc(-c2nn[nH]n2)c1O	1604054957	JWGXJAZJVPLGGA-SNVBAGLBSA-N	265.292	1.583	10	20	CDCD	
COc1ccc(N2CC[C@H](CNC(=O)CC(=O)O)C2)cc1	1607269713	YHNCRQFVMGSPAV-LLVKDONJSA-N	292.335	1.112	10	20	CDCD	
Nc1ccc(OCc2cn(CCCC(=O)O)nn2)cc1	1601216579	ICTJIUXJGXTJPE-UHFFFAOYSA-N	276.296	1.304	10	20	CDCD	
CCOc1ccc(CN2CCCNC[C@H]2C(=O)O)c(O)c1	1605691502	BZUVAPZLFGPAIV-ZDUSSCGKSA-N	294.351	1.039	10	20	CDCD	
COC(=O)CN(C)c1cc(OC)c(OC)c(OC)c1	259000333	YTFORQPKPSFSKE-UHFFFAOYSA-N	269.297	1.322	10	20	CDCD	
COc1cc(C)c(CN2CC[C@@H]3NCC[C@@H]3C2)c(O)c1	1579144434	GJYOMLCPBNDRRQ-DOMZBBRYSA-N	276.380	1.893	10	20	CDCD	
C[C@]1(N)CCCC[C@H]1C(=O)NCc1cccc(O)c1O	1576532111	ZFPIQGHZJDYADW-NHYWBVRUSA-N	278.352	1.622	10	20	CDCD	
C[C@@H](CN[C@H](C)c1cc(C(=O)O)ccc1O)N(C)C	1593239935	IMZIXUKQKXFULI-VHSXEESVSA-N	266.341	1.691	10	20	CDCD	
C[C@H](/C=C/C(=O)O)NC(=O)c1ccc(N=NC(N)=O)cc1	1592202506	CZWKJXLOBSKNHZ-PTUYDBBJSA-N	290.279	1.608	10	20	CDCD	
CCOc1ccc(O)c(CN2CC[C@@H](C(N)=O)C2)c1	157200056	INMQNRWMHBIYLW-SNVBAGLBSA-N	264.325	1.098	10	20	CDCD	
C[C@@H](NC[C@H]1CCCNC1=O)c1cc(F)ccc1O	840826347	UMUFMVKPVPWGIM-NXEZZACHSA-N	266.316	1.708	10	20	CDCD	
CN(C)c1ccc(CNC[C@@H](O)c2ccccn2)cc1	853096933	QHRBEFQBUMLTLV-MRXNPFEDSA-N	271.364	1.971	10	20	CDCD	
Cc1cccc(CN2CCC[C@H](NS(C)(=O)=O)C2)c1O	179692294	FSWQZURZPNCBED-ZDUSSCGKSA-N	298.408	1.214	10	20	CDCD	
C[C@@H](NCc1cc(F)cc(F)c1O)C(=O)N(C)C	708441032	HPKGOJUGSWSXQD-SSDOTTSWSA-N	258.268	1.237	10	20	CDCD	
O=C1CC[C@H](NCc2ccc3c(c2)CCO3)CCN1	396735235	UWXOLLSVTRTXSO-ZDUSSCGKSA-N	260.337	1.380	10	20	CDCD	
CCOc1cccc(CNCC2(N(C)C)CC2)c1O	397957949	CONGCQICHNICJS-UHFFFAOYSA-N	264.369	1.975	10	20	CDCD	
Cc1cc(NC(=O)c2ccc(C)c(O)c2O)n(C)n1	177670825	IPCZZKARPZUZKH-UHFFFAOYSA-N	261.281	1.700	10	20	CDCD	
CCOCCN1CCN(Cc2cc(F)ccc2O)CC1	179915768	LGPHYDBSMSWMGX-UHFFFAOYSA-N	282.359	1.685	10	20	CDCD	
COc1ccc(N(C)CCN2C(=O)CNC2=O)cc1Cl	121849222	IBCUNCDJMZNWFD-UHFFFAOYSA-N	297.742	1.337	10	20	CDCD	
COc1cccc(CN2CCC(CNC(C)=O)CC2)c1O	219488066	OWYDPZBSDGYIDX-UHFFFAOYSA-N	292.379	1.749	10	20	CDCD	
O=C(O)c1ccc(S(=O)(=O)Nc2ccc(O)cc2)o1	37047930	SNGXIPFPQWIILB-UHFFFAOYSA-N	283.261	1.484	10	20	CDCD	
COC(=O)c1ccccc1N(C)C(=O)/C=C/c1cnn(C)c1	314359068	WEGPYKNMESTKSH-CMDGGOBGSA-N	299.330	1.883	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1COCCO1	48121501	OGGYZCPANCWLSZ-OAHLLOKOSA-N	292.379	1.517	10	20	CDCD	
CN(C)[C@H]1CCCC[C@@H]1NC(=O)c1cccc(O)c1O	1116852132	UBZRSNLIMRCQMA-RYUDHWBXSA-N	278.352	1.700	10	20	CDCD	
CCOc1ccc(O)c(CN2CC[C@H](O)[C@H](C)C2)c1	190064149	TWCGFIQHSNTDKJ-RISCZKNCSA-N	265.353	1.994	10	20	CDCD	
Oc1cc2c(cc1CN1CCSCC1)OCO2	48621349	PFAAJSFVGJZZNL-UHFFFAOYSA-N	253.323	1.670	10	20	CDCD	
O=S(=O)(C[C@@H]1CCCO1)Nc1ccc(O)c(Cl)c1	85204653	KUSDETFQXQRRLX-VIFPVBQESA-N	291.756	1.966	10	20	CDCD	
CCCOc1ccc(CN2CC[C@](C)(C(N)=O)C2)c(O)c1	233250866	NIWGFCYUJIOZLU-INIZCTEOSA-N	292.379	1.878	10	20	CDCD	
COc1cccc(CNC(=O)NCC[C@H](C)OC)c1O	266874491	VJBGXSMSKPUXFA-JTQLQIEISA-N	282.340	1.625	10	20	CDCD	
CCOc1ccc(O)c(CN2CC[C@H](CC(N)=O)C2)c1	367704027	ONHNPHLXBFGANZ-LLVKDONJSA-N	278.352	1.488	10	20	CDCD	
COc1ccc(N2CCC(NCC(=O)N(C)C)CC2)cc1	375046852	ATHSILOYFRAAOT-UHFFFAOYSA-N	291.395	1.342	10	20	CDCD	
CCc1nc([C@@H](C)NC(=O)c2cccc(O)c2O)n[nH]1	279854661	PHQOYYGBLNIZRR-SSDOTTSWSA-N	276.296	1.269	10	20	CDCD	
CN(C(=O)c1cn(C)nc1-c1cnn(C)c1)c1ccccn1	372901396	FKNASVZMJOYARI-UHFFFAOYSA-N	296.334	1.492	10	20	CDCD	
C/C=C/C[C@H](CO)NC(=O)c1c(F)ccc(O)c1O	294938198	HZMMMDCTPKEQPQ-UFUPEUMYSA-N	269.272	1.294	10	20	CDCD	
CC(C)(CO)CCNCc1cc([N+](=O)[O-])ccc1O	294662445	AFYQHTWFSWAHMQ-UHFFFAOYSA-N	268.313	1.799	10	20	CDCD	
Cc1cc(O)c(CN2CC[C@@H](CS(C)(=O)=O)C2)cc1C	291814158	DEENUKYJBCXQHY-CYBMUJFWSA-N	297.420	1.876	10	20	CDCD	
CCOC(=O)C1(C(=O)NCCc2ccc(N)cc2)CC1	818545331	YOLYXCWWPNZZFE-UHFFFAOYSA-N	276.336	1.271	10	20	CDCD	
O=C(C[C@H]1CC(=O)N1)NCCCSc1nccs1	827474511	BHSGPEJXGBQLRP-QMMMGPOBSA-N	285.394	1.020	10	20	CDCD	
NCCCC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	829003563	PIBWXWRQOCYQFA-AWEZNQCLSA-N	292.379	1.639	10	20	CDCD	
CCOc1cccc(CN2CC(O)(C(C)C)C2)c1O	839132942	NTJWHXHBWVKNNZ-UHFFFAOYSA-N	265.353	1.994	10	20	CDCD	
CC1CCN(C(=O)COC(=O)c2cc(O)cs2)CC1	731909568	FDGBUKJBTDCJTO-UHFFFAOYSA-N	283.349	1.869	10	20	CDCD	
Nc1ccc(OCc2cn(CCCCO)nn2)cc1	864626720	ANRISAZVIUUAOV-UHFFFAOYSA-N	262.313	1.212	10	20	CDCD	
C[C@@H](CNC(=O)c1cc(O)cs1)CN1CCCC1	731870760	OQSFBOKMASLXMV-JTQLQIEISA-N	268.382	1.915	10	20	CDCD	
CC1=C(C(=O)NCc2ccc(O)cc2O)CCCO1	910949037	DELCSUXQRFPXHI-UHFFFAOYSA-N	263.293	1.798	10	20	CDCD	
CC(C)(C)O[C@@H]1C[C@H]1C(=O)NCc1ccc(O)c(O)c1	830558743	AFAIJQWAWLGHJH-ZWNOBZJWSA-N	279.336	1.918	10	20	CDCD	
Nc1ccc(CC(=O)NCCn2cnc3ccccc32)cc1	746319281	KIZCXLXUKFLFBD-UHFFFAOYSA-N	294.358	1.977	10	20	CDCD	
COc1ccc(O)c([C@@H](C)Nc2nccn3nnnc23)c1	749147632	OGCMYLNFGIOGME-MRVPVSSYSA-N	286.295	1.407	10	20	CDCD	
CC[C@H](C(=O)O)C(=O)NCc1ccc(OC)cc1O	911716641	CLRDGDKNVJWLQZ-JTQLQIEISA-N	267.281	1.128	10	20	CDCD	
CCc1nc(CN(C)c2ccc(OCC(=O)O)cc2)n[nH]1	846279364	AOHBZSMAXVMKAV-UHFFFAOYSA-N	290.323	1.467	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)CSCC(=O)O	740076878	GXRKNFMHQGWRGR-UHFFFAOYSA-N	296.392	1.495	10	20	CDCD	
C[C@@H](NC[C@@H]1CCCNC1=O)c1cc([N+](=O)[O-])ccc1O	840825227	DECNYYUAVNDBLP-ZJUUUORDSA-N	293.323	1.477	10	20	CDCD	
COc1cccc([C@H](C)NCC2(CO)CCOCC2)c1O	846157178	ROOWLWUPBIRJIR-LBPRGKRZSA-N	295.379	1.841	10	20	CDCD	
CN(C)c1ccc(CN2CC(N3CC[C@@H](O)C3)C2)cc1	846067485	GKCWARQXZJITSQ-MRXNPFEDSA-N	275.396	1.003	10	20	CDCD	
COc1cccc([C@@H](C)NC[C@H](C)S(C)(=O)=O)c1O	846156291	DBLAEDUYKCTGSG-VHSXEESVSA-N	287.381	1.485	10	20	CDCD	
C[C@H](N[C@H](C)[C@H]1CN(C)CCO1)c1ccc(F)cc1O	756759544	MNEDUVBBYOBHLD-FIXISWKDSA-N	282.359	1.901	10	20	CDCD	
N[C@]12CCC[C@H]1CN(Cc1cc(F)ccc1O)C2	857226573	RQWLKAKLISWQHU-FZMZJTMJSA-N	250.317	1.845	10	20	CDCD	
CC(C)c1noc(COC(=O)c2cccc(O)c2O)n1	758574074	ZSXCTQARTGWLFP-UHFFFAOYSA-N	278.264	1.961	10	20	CDCD	
Oc1cc(F)c(Cl)cc1CN[C@@H]1CCOC[C@H]1O	862532985	MAKOOCQQDZBCBD-ZYHUDNBSSA-N	275.707	1.424	10	20	CDCD	
COC1CCN(c2ccc(CN3CC[C@H]3CO)cc2)CC1	934019930	TUWFJQUJEXGYBJ-INIZCTEOSA-N	290.407	1.868	10	20	CDCD	
COC/C=C\C(=O)NCc1ccc(N(C)C)c(F)c1	865051753	ULCLBYNVAFFEIU-PLNGDYQASA-N	266.316	1.711	10	20	CDCD	
CCN1CCO[C@H](C(=O)NCc2cc(C)ccc2O)C1	862760970	YFRYQCLRMJWKQM-AWEZNQCLSA-N	278.352	1.038	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)c1cc(O)cs1	762275230	PBCMZYBRLWWTPA-UHFFFAOYSA-N	279.317	1.837	10	20	CDCD	
Cc1cccc(O)c1CN1CC[C@@H]2NC(=O)CC[C@@H]2C1	877629562	VRHYTCKAYJNADX-OCCSQVGLSA-N	274.364	1.801	10	20	CDCD	
COC1CCN(c2ccc(CN(C)CC(=O)O)cc2)CC1	1118255912	GWLSRWBDLXZAGL-UHFFFAOYSA-N	292.379	1.818	10	20	CDCD	
Cn1ccnc1CNC(=O)/C=C/c1ccc(O)c(O)c1	779511374	IBDDGVCKQKPCEX-HWKANZROSA-N	273.292	1.161	10	20	CDCD	
O=C(O)CN(Cc1ccccc1O)C(=O)[C@H]1C[C@H]1F	1123286606	YXSYZFIVSGRYMA-VHSXEESVSA-N	267.256	1.163	10	20	CDCD	
CCOc1cccc(CN(C)[C@H]2CCS(=O)(=O)C2)c1O	132412678	PCZVGPPIJGEGIT-LBPRGKRZSA-N	299.392	1.410	10	20	CDCD	
COc1ccc(CN[C@@H](C)COC(C)=O)c(O)c1	894186782	YVQZNFRXMNANLI-VIFPVBQESA-N	253.298	1.442	10	20	CDCD	
CC[C@H]1C(=O)NCCN1Cc1cc(F)cc(F)c1O	893999528	RQQBFAPUINVWDR-NSHDSACASA-N	270.279	1.381	10	20	CDCD	
COc1ccc(CNC[C@H](O)c2ccco2)c(O)c1OC	892517558	OFUSYWYTEXUEEH-NSHDSACASA-N	293.319	1.826	10	20	CDCD	
CNC(=O)[C@@H]1CCCN(Cc2cc(C)cc(OC)c2O)C1	894018717	BNRZXFPFWJJOFM-GFCCVEGCSA-N	292.379	1.667	10	20	CDCD	
CN(C)C(=O)CCCOC(=O)/C=C/c1ccc(O)c(O)c1	795485188	ALNPNXPKGFXZFN-SOFGYWHQSA-N	293.319	1.523	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NCc2cnn(C)c2)c1	41158809	SQZUTCRKFZVANL-SNVBAGLBSA-N	261.325	1.985	10	20	CDCD	
Oc1c(F)cc(F)cc1CNCCc1nc[nH]n1	708535209	JNWIKQCCHNZWJD-UHFFFAOYSA-N	254.240	1.121	10	20	CDCD	
C[C@H](NCc1nnnn1C1CC1)c1cc(F)ccc1O	756734673	YBQRTILAIYSHKR-QMMMGPOBSA-N	277.303	1.704	10	20	CDCD	
C[C@H](O)[C@H](NCc1cc(Cl)cc(Cl)c1O)C(=O)O	1334845567	XJRJEGNZDCHYFJ-CDUCUWFYSA-N	294.134	1.623	10	20	CDCD	
Cc1cc(CN2C[C@@H](O)C[C@@H]2C(=O)O)ccc1N(C)C	1600193050	VSFCGPYSUYVQCM-GXTWGEPZSA-N	278.352	1.081	10	20	CDCD	
Cc1ccc(C(=O)N2CCCCC[C@@H]2C(=O)O)c(O)c1O	1610484446	ZRMXQLHTOWSVEG-LLVKDONJSA-N	293.319	1.876	10	20	CDCD	
COc1ccc(NC(=O)Cc2ccc(N)cc2)cn1	19262087	SAEGTICDIRONHO-UHFFFAOYSA-N	257.293	1.854	10	20	CDCD	
Cc1ccc([C@H](N)C(=O)NCc2c(O)cccc2O)cc1	1579668531	IFYXRJIWQOMQTP-HNNXBMFYSA-N	286.331	1.722	10	20	CDCD	
CN1CC[C@@H](CSc2ncc(C(=O)O)s2)C1=O	1598583202	AMLDPKUXCHOPEX-LURJTMIESA-N	272.351	1.412	10	20	CDCD	
CCOCCN[C@@H](C)c1cccc(-c2nn[nH]n2)c1O	1590813294	LGYGXLBVZBXKDH-VIFPVBQESA-N	277.328	1.259	10	20	CDCD	
CN(C)c1ccc(CN=c2cc[nH]c(C(=O)O)n2)cc1F	1598320389	BTNHEUDUIJDIMV-UHFFFAOYSA-N	290.298	1.414	10	20	CDCD	
COC(=O)C1(NC(=O)Cc2ccc(N)cc2)CCCC1	150910234	JQLGXLDCRTURCS-UHFFFAOYSA-N	276.336	1.413	10	20	CDCD	
CCc1cccc(CNCc2ncnn2CC)c1O	848908605	YVEBCCRSJMAERS-UHFFFAOYSA-N	260.341	1.856	10	20	CDCD	
CCCN(CC(=O)N(C)C)C(=O)c1cccc(O)c1O	126328652	WREDHIXZTHXSHU-UHFFFAOYSA-N	280.324	1.038	10	20	CDCD	
CN(C)c1ccc(CNC(=O)C[C@@H]2CCC[C@H]2N)cc1	293966143	AKTBQKSGPOTUBX-DZGCQCFKSA-N	275.396	1.886	10	20	CDCD	
CCCNC(=O)[C@H](C)N1CCCc2cc(CN)ccc21	700947813	SECBKOQHWGQLFR-LBPRGKRZSA-N	275.396	1.813	10	20	CDCD	
COc1ccc(O)c(CN2C[C@@H](C)C[C@H](C(=O)O)C2)c1	398725697	JNNMHYMHMBDXEU-JQWIXIFHSA-N	279.336	1.943	10	20	CDCD	
CCCN(C)S(=O)(=O)N(C)Cc1ccc(N(C)C)cc1	119393782	ICHJDUFQDIOXPU-UHFFFAOYSA-N	299.440	1.771	10	20	CDCD	
COC(=O)[C@@H](C)CN(C)Cc1cc(F)ccc1O	179943490	FFEBPZPATSZNJX-VIFPVBQESA-N	255.289	1.772	10	20	CDCD	
CCOc1cccc(CNCCC[S@](C)=O)c1O	116919710	ICWZGHIZQPHMJS-GOSISDBHSA-N	271.382	1.649	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2ccnc(C)n2)c1	114541495	DZALLYGSVBMGQJ-UHFFFAOYSA-N	273.292	1.429	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H]2CCOC2)c1	178765598	DFMFFPQGHJGVNE-NXEZZACHSA-N	280.324	1.550	10	20	CDCD	
CCCNC(=O)CN(C)c1ccc(OC)c(F)c1	121775173	QBGCRWJFIPKQPT-UHFFFAOYSA-N	254.305	1.797	10	20	CDCD	
COc1cc(Cl)cc(CN2CCN(C)C(=O)C2)c1O	184695153	VWAKLDRSHLEVEE-UHFFFAOYSA-N	284.743	1.328	10	20	CDCD	
Cc1cc(O)c(CN2C[C@H](C)O[C@H](CO)C2)cc1C	191524668	XXPQXNFVORGERC-JSGCOSHPSA-N	265.353	1.591	10	20	CDCD	
Cc1cc(C(=O)N2CCN(C)CC2)c(C)n1-c1ccccn1	131638366	LYJNBCZJZJNKRI-UHFFFAOYSA-N	298.390	1.877	10	20	CDCD	
C[C@H]1CN(Cc2ccc(N3CCOCC3)cc2)CC[C@@H]1O	190046607	OACKOOBBXCVHBD-YOEHRIQHSA-N	290.407	1.726	10	20	CDCD	
Cc1c(CNC(=O)c2n[nH]c(O)n2)n(C)c2ccccc12	525969241	PFKLUMMUKLQPSE-UHFFFAOYSA-N	285.307	1.240	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)C1(C)COC1	356037566	KCGTXTRZEQUQNW-UHFFFAOYSA-N	276.336	1.515	10	20	CDCD	
Oc1cccc(Cl)c1CNC[C@H](O)C1CCOCC1	265655670	YLNHWVUOWZKOOC-AWEZNQCLSA-N	285.771	1.923	10	20	CDCD	
C[C@@H]1c2nncn2CCN1Cc1cc(F)ccc1O	276868198	YCOPWSQHZCKPTD-SECBINFHSA-N	262.288	1.700	10	20	CDCD	
COc1cccc(CNCCC2(O)CCOCC2)c1O	285360599	BNCIABIUXSVXEZ-UHFFFAOYSA-N	281.352	1.422	10	20	CDCD	
C[C@@H](CCCO)CNC(=O)NCc1ccc(N(C)C)cc1	296500891	XXQWHOUINLHGHR-ZDUSSCGKSA-N	293.411	1.960	10	20	CDCD	
CO[C@H](C)CN(C)C(=O)c1c(F)ccc(O)c1O	295798070	SGGOPLGNZOLNTD-SSDOTTSWSA-N	257.261	1.344	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)NCCCOC(F)F	801524560	KDJAXNCKFAGRRI-HYXAFXHYSA-N	287.262	1.857	10	20	CDCD	
C[C@H]1NCCC[C@H]1C(=O)NCc1ccc(N(C)C)c(F)c1	290007868	SDKMEUVYWMTVBF-DGCLKSJQSA-N	293.386	1.896	10	20	CDCD	
CC(C)[C@H]1NCC[C@H]1C(=O)NCCc1ccc(N)cc1	294710560	BHVGVAVHHLNHSP-HUUCEWRRSA-N	275.396	1.562	10	20	CDCD	
CCC[C@H](OC)C(=O)NCCc1ccc(O)c(O)c1	295529114	SMQRQGAVBDKFAN-ZDUSSCGKSA-N	267.325	1.572	10	20	CDCD	
CC[C@@H](N)CN[C@@H](C)c1cc([N+](=O)[O-])ccc1O	817981146	ZMBZMQCLSDIOMD-DTWKUNHWSA-N	253.302	1.688	10	20	CDCD	
Cc1cc(CN2C[C@@H](C)O[C@@H](CO)C2)ccc1N(C)C	815100860	WAPHEXWXUOQGSC-UKRRQHHQSA-N	278.396	1.643	10	20	CDCD	
NC(=O)[C@@H]1CCN(Cc2cc(Cl)c(F)cc2O)C1	816480652	SQDVBFQYSODJSS-SSDOTTSWSA-N	272.707	1.492	10	20	CDCD	
CCOc1cc(C(=O)NCc2cc(OC)ccc2O)on1	825838991	JMMZXDGOQBPUET-UHFFFAOYSA-N	292.291	1.718	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)C(OC)OC)c1	821065102	KZYRIXHPFKRPNJ-QMMMGPOBSA-N	269.297	1.197	10	20	CDCD	
O=C(NC[C@H](O)C1CCC1)c1c(F)ccc(O)c1O	839790246	PDSPYBWCFNVVCE-JTQLQIEISA-N	269.272	1.128	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)O[C@H]1CCOC1	914145585	YSKRDXUTYGWWTB-NSHDSACASA-N	251.282	1.750	10	20	CDCD	
CCCCCCNC(=O)C(=O)NCCc1ccc(N)cc1	842217067	SSJRMNXIRZLVEI-UHFFFAOYSA-N	291.395	1.624	10	20	CDCD	
CC(C)CN(C)S(=O)(=O)NCCc1ccc(N)cc1	842822236	AQCGQCVZJSKVMQ-UHFFFAOYSA-N	285.413	1.234	10	20	CDCD	
CNC[C@@H]1CCN(Cc2cc(OC)c(OC)cc2O)C1	843051623	ACRMWGPGZUYHFI-NSHDSACASA-N	280.368	1.451	10	20	CDCD	
COc1ccc(O)c(CN[C@H](CN)C(C)(C)C)c1	841086993	HMVNFKNFSATLAT-CYBMUJFWSA-N	252.358	1.864	10	20	CDCD	
Cc1cnn(CCC(=O)NCc2ccc(O)cc2O)c1	910952777	YHZAGUSHIPWVLG-UHFFFAOYSA-N	275.308	1.309	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H](CN)C(C)(C)C)c1O	841087428	OFIRNNWEGFVPRA-NSHDSACASA-N	297.355	1.772	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCOCC2(CCOCC2)C1	753521614	VBROPEZZIMVMMD-UHFFFAOYSA-N	297.376	1.723	10	20	CDCD	
CCn1cc(C(=O)NCc2ccc(N(C)C)cc2)nn1	929401222	CGMPHRBMKNGDOI-UHFFFAOYSA-N	273.340	1.294	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCO[C@@H]([C@H]2CCCO2)C1	757422791	ACQJIFUWDXYAPW-GHMZBOCLSA-N	283.349	1.474	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CCOC(=O)N1	859418624	FNVPPPNBOJYUIF-CYBMUJFWSA-N	291.351	1.176	10	20	CDCD	
CN(C)c1ccc(CNCCN2CCC2)cc1F	752105100	WQBYDCBICWARSP-UHFFFAOYSA-N	251.349	1.687	10	20	CDCD	
CC(=O)c1cc(F)cc(CN[C@@H]2COC[C@H]2C)c1O	932495796	HNVYZZLIDRXMGL-AMIZOPFISA-N	267.300	1.858	10	20	CDCD	
COC(=O)[C@H](C)NC(=O)[C@H](C)N[C@@H](C)c1ccccc1O	866441322	ZJJVUMCYTQRXEO-DCAQKATOSA-N	294.351	1.109	10	20	CDCD	
CNCCCN1CCN(c2ccc(OC)cc2OC)CC1	866697219	JINPWERNDJUFEV-UHFFFAOYSA-N	293.411	1.435	10	20	CDCD	
Cc1cc(NS(=O)(=O)c2cnnn2C)c(C)c(C)c1O	863406579	HOVZGZVRRCRIJX-UHFFFAOYSA-N	296.352	1.247	10	20	CDCD	
C[C@@H](C(=O)N(C)Cc1ccccc1O)[C@@H]1CCC(=O)N1	860049421	UKQLIBCKHKDGIJ-PWSUYJOCSA-N	276.336	1.265	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1(F)CCOCC1	867302325	NVFZPPOMRQTILA-SNVBAGLBSA-N	297.326	1.664	10	20	CDCD	
CCOc1ccc(O)c(CNC[C@@H](C)CNC)c1	1118020440	WAKNNXZSAYBRDV-NSHDSACASA-N	252.358	1.736	10	20	CDCD	
Cc1cccc(O)c1CNCCCN1CCC(O)CC1	876966916	ZEPZLDAYUVVWBW-UHFFFAOYSA-N	278.396	1.637	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2C[C@@H]3CC[C@H](C2)N3)c1O	873216901	UGSQCAHIUSMDLP-PHIMTYICSA-N	293.323	1.245	10	20	CDCD	
C[C@@H](NCC(=O)N=S(C)(C)=O)c1ccc(N(C)C)cc1	878455032	NHQKTFXRYULAFX-LLVKDONJSA-N	297.424	1.657	10	20	CDCD	
OC1CCN(c2ccc(CN3CCOCC3)cc2)CC1	876509494	GRPTYFLZSIODEV-UHFFFAOYSA-N	276.380	1.480	10	20	CDCD	
CCCOc1ccc(CNCCOCCO)cc1C	873008894	VBFKJRRPBBKSPS-UHFFFAOYSA-N	267.369	1.882	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)NCC(F)F	879757296	UGMOOZSDNJVOKI-ZETCQYMHSA-N	274.267	1.593	10	20	CDCD	
Oc1cc2c(cc1CN[C@@H]1CCn3ccnc3C1)OCO2	778187655	CANPOMBDSYGDQT-LLVKDONJSA-N	287.319	1.422	10	20	CDCD	
NCc1cn([C@H]2CCCN(Cc3ccc(N)cc3)C2)nn1	1120371229	CJVPZPKMHKLPHR-HNNXBMFYSA-N	286.383	1.156	10	20	CDCD	
COC(=O)[C@@](C)(CO)NCc1cccc(Cl)c1O	894975499	OHARAOYEZYLIFX-GFCCVEGCSA-N	273.716	1.059	10	20	CDCD	
COc1ccc(CNCCCNC(C)=O)c(O)c1OC	892506546	GYSIFFKTMHZXHQ-UHFFFAOYSA-N	282.340	1.025	10	20	CDCD	
CCOCCOC[C@@H](O)CNCc1ccc2c(c1)CCO2	791006541	MAYRUSFKMKCABG-HNNXBMFYSA-N	295.379	1.125	10	20	CDCD	
Cn1cnc(CNCc2cc3c(cc2O)OCO3)c1	898045242	JVVCLKJTHIWTRO-UHFFFAOYSA-N	261.281	1.144	10	20	CDCD	
COC(=O)CC(C)(C)N(C)C(=O)c1ccc(C)c(O)c1O	1319953131	YPVGAAGOANLEJK-UHFFFAOYSA-N	295.335	1.820	10	20	CDCD	
Nc1ccc(CNC(=O)NCCOC[C@@H]2CCOC2)cc1	1336821061	NEWBXEGYSRHHML-CYBMUJFWSA-N	293.367	1.121	10	20	CDCD	
CN(C)c1ccc(CNC(=O)C[C@@H]2CCNC2)cc1	89746607	PUJIWHMZXJWQHZ-ZDUSSCGKSA-N	261.369	1.368	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2C[C@H]3C[C@]3(CO)C2)c1O	782626283	ZVKYZWCPMMFPGP-IAQYHMDHSA-N	279.311	1.548	10	20	CDCD	
CC[C@@H](C)[C@H](O)CNCc1ccc(OC)c(OC)c1O	1334951716	LKQAISYONXWKSS-ZYHUDNBSSA-N	283.368	1.906	10	20	CDCD	
CSCC[C@H](N)CC(=O)NCc1ccc(N(C)C)cc1	1340021747	ZGBGHQOTYBEJQQ-ZDUSSCGKSA-N	295.452	1.839	10	20	CDCD	
C[C@@H](CCO)CN[C@H](C)c1cccc(-c2nn[nH]n2)c1O	1603495182	IJKJFOQDLSQTMI-VHSXEESVSA-N	291.355	1.241	10	20	CDCD	
CC(=O)C(=O)CSc1ccccc1-c1nn[nH]n1	1602912473	QXXLEBGLFSGYAY-UHFFFAOYSA-N	262.294	1.117	10	20	CDCD	
Cc1cc(O)c(CN[C@H]2CCO[C@H]2C(=O)O)cc1Cl	1600286156	MAZLFZIRKKOFMB-CMPLNLGQSA-N	285.727	1.686	10	20	CDCD	
C[C@@H](NCc1ncn(C)n1)c1cc(C(=O)O)ccc1O	1609779410	KXQKYENACKGUJV-MRVPVSSYSA-N	276.296	1.070	10	20	CDCD	
O=C(O)[C@@H]1OCC[C@@H]1NCc1cc(Cl)c(F)cc1O	1602203298	WDIHOHQDYJPYKJ-GXSJLCMTSA-N	289.690	1.516	10	20	CDCD	
COc1cc(C)cc(CN[C@H](CN)C(F)(F)F)c1O	1579144888	KYNMUSLFWJGUAA-SNVBAGLBSA-N	278.274	1.688	10	20	CDCD	
O=C(N[C@H]1CC[C@H]2CCN[C@H]1C2)c1c(F)ccc(O)c1O	1580609758	UFFSZXGVNWRATM-LSJOCFKGSA-N	294.326	1.497	10	20	CDCD	
CCN[C@H](C)CN[C@@H](C)c1cc(C(=O)O)ccc1O	1596499067	FVPVJNYQVAOVFC-ZJUUUORDSA-N	266.341	1.739	10	20	CDCD	
C[C@H]1CN(C(=O)c2cc(O)cs2)CC[C@H]1C(=O)O	1599924546	NDKMLSKJIYIKLT-IONNQARKSA-N	269.322	1.637	10	20	CDCD	
COc1cc(O)c(CN2C[C@H]3[C@@H](C2)[C@@H]3C(=O)O)cc1OC	1599446064	MRZTXGOJCAXRCQ-MSRIBSCDSA-N	293.319	1.172	10	20	CDCD	
COc1ccc(N2CCC(NC(=O)C3(N)CC3)CC2)cc1	167236804	NXNHVXRYDRGUIF-UHFFFAOYSA-N	289.379	1.272	10	20	CDCD	
c1nc(CNCc2ccc(N3CCOCC3)cc2)c[nH]1	112342393	QVPXDQMZXCGANK-UHFFFAOYSA-N	272.352	1.536	10	20	CDCD	
CCNS(=O)(=O)CCN[C@@H](C)c1cc(C)ccc1O	230666856	BAXAGYAAEWHWNP-NSHDSACASA-N	286.397	1.291	10	20	CDCD	
COc1ccc(O)c(CN2CC[C@](C)(C(N)=O)C2)c1	234966416	UHDWHLCTJYOKHJ-AWEZNQCLSA-N	264.325	1.098	10	20	CDCD	
CC(C)C[C@@H](CN(C)C)NC(=O)Cc1ccc(N)cc1	37001267	DPSVMACQUIMVFT-HNNXBMFYSA-N	277.412	1.904	10	20	CDCD	
CCCN(CC(N)=O)Cc1cc(OC)ccc1O	310936821	IREYFNRDPZMJJN-UHFFFAOYSA-N	252.314	1.098	10	20	CDCD	
CCOC[C@@H]1CN(Cc2cccc(C)c2O)CCO1	529666984	PVAOAUXHQNLSPO-AWEZNQCLSA-N	265.353	1.938	10	20	CDCD	
COc1ncc(C(=O)NCc2ccc(N(C)C)cc2)cn1	65184095	ULYNUOUMGAIVHJ-UHFFFAOYSA-N	286.335	1.481	10	20	CDCD	
Cc1cc(O)ccc1NS(=O)(=O)C[C@@H]1CCCO1	80357941	RXKJXWOZRLGJFP-NSHDSACASA-N	271.338	1.621	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)c1cncc(O)c1	122273805	PLPREMKUOKNNKT-UHFFFAOYSA-N	274.276	1.171	10	20	CDCD	
CCNCCNC(=O)NCc1c(C)c2ccccc2n1C	418103367	WDCFWKZPHFFHMY-UHFFFAOYSA-N	288.395	1.895	10	20	CDCD	
C[C@@H]1CN(Cc2ccc(N(C)C)cc2)CCS(=O)(=O)C1	192064195	CTSGKWYGOMKVIN-CYBMUJFWSA-N	296.436	1.619	10	20	CDCD	
COC(=O)NCc1ccc(N2CCOCC2)cc1	49740547	XKZMNKXQBHBABM-UHFFFAOYSA-N	250.298	1.379	10	20	CDCD	
CCOc1ccc(O)c(CN2CCC3(C2)OCCO3)c1	93013673	POUUNMGWJKCFQF-UHFFFAOYSA-N	279.336	1.740	10	20	CDCD	
COc1ccc(O)c(CNC[C@@H](OC)C2CC2)c1	293547327	DOLZJKPHIJIXOW-CQSZACIVSA-N	251.326	1.915	10	20	CDCD	
Nc1ccc(CCNC(=O)CCCNC(=O)C2CC2)cc1	238121771	UESUHQIYAFQJNY-UHFFFAOYSA-N	289.379	1.234	10	20	CDCD	
C[C@H]1CCN(Cc2cc3c(cc2O)OCO3)CC[S@]1=O	277290281	AGLSPWCLBBIZGQ-WVDJIFEKSA-N	297.376	1.464	10	20	CDCD	
CC1(CNCc2c(O)cccc2Cl)OCCO1	271086329	ZKSLRSPZSJXSAB-UHFFFAOYSA-N	257.717	1.898	10	20	CDCD	
C[C@H](N[C@@H]1CC(=O)N(C)C1)c1cc(Cl)ccc1O	273577843	MBBUUYQKYLQZNM-WCBMZHEXSA-N	268.744	1.927	10	20	CDCD	
COc1cccc(CN2CCC[C@H](O)CC2)c1O	294056265	PSXQZMSDTUUZKM-LBPRGKRZSA-N	251.326	1.748	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)c1cnc(C2CC2)nc1N	806499790	KXELXAGSOPDMOZ-UHFFFAOYSA-N	298.346	1.914	10	20	CDCD	
CCC(CC)(CO)CNC(=O)c1c(F)ccc(O)c1O	295265928	HWMKZTTWCQDCSL-UHFFFAOYSA-N	285.315	1.765	10	20	CDCD	
COCc1ccc(C(=O)OCC(=O)C(C)=O)cc1	808490505	PUMCGCVFSBYHKP-UHFFFAOYSA-N	250.250	1.148	10	20	CDCD	
CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)C(C)=O)c1C	808485306	NOVNYVMFNXBBON-UHFFFAOYSA-N	295.291	1.123	10	20	CDCD	
C[C@@H](NC(=O)C1CCCC1)C(=O)NCc1ccccc1O	299610759	XPCYCGGJCIZECG-LLVKDONJSA-N	290.363	1.703	10	20	CDCD	
Cc1ccc(C(=O)NC[C@@H](CO)C(C)C)c(O)c1O	805314523	MDMHYKTWSGAQAM-JTQLQIEISA-N	267.325	1.401	10	20	CDCD	
Cc1cc(CN2CC[C@@](F)(CO)C2)ccc1N(C)C	815111142	HZWWURPQDKQJRO-HNNXBMFYSA-N	266.360	1.967	10	20	CDCD	
CC(C)N(C)CCNC(=O)NCc1ccccc1O	726251285	WLTDQQXVXMTOBI-UHFFFAOYSA-N	265.357	1.532	10	20	CDCD	
CCC1(CNCc2cc(OC)c(OC)cc2O)COC1	825078931	GAJGBHILBDZWJV-UHFFFAOYSA-N	281.352	1.926	10	20	CDCD	
COC(=O)N(C)CCNCc1cc(Cl)c(F)cc1O	827377292	VAYSHINOJHYCIX-UHFFFAOYSA-N	290.722	1.973	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@H]2CCCCN(C)C2=O)c1	824903663	BWWBRMGACWABMY-CYBMUJFWSA-N	290.363	1.575	10	20	CDCD	
Cc1cc(CNC(=O)/C=C\c2ccc(O)c(O)c2)on1	588406115	NMFCCWGBEYRMMW-HYXAFXHYSA-N	274.276	1.724	10	20	CDCD	
CCOc1ccc(CNC[C@](C)(O)CSC)c(O)c1	738441053	PWRPNZZJSSVEDK-AWEZNQCLSA-N	285.409	1.995	10	20	CDCD	
CC(=O)NC[C@H]1CCCN(C(=O)c2cc(O)cs2)C1	732278293	GSYMIFCAYDLQMA-SNVBAGLBSA-N	282.365	1.442	10	20	CDCD	
CN(Cc1ccc(N2CCOCC2)cc1)Cc1ncc[nH]1	738299010	MAFWDYWGDIEJOW-UHFFFAOYSA-N	286.379	1.878	10	20	CDCD	
O=C(O)/C=C\c1ccc(N2CC[C@H](O)C2)c([N+](=O)[O-])c1	739627005	WNEJNMCVBXWZPG-GQPNGRKGSA-N	278.264	1.264	10	20	CDCD	
C[C@H](OC[C@@H]1CCCO1)C(=O)NCc1ccc(O)cc1O	910955183	OIQAIYODSFIAND-GWCFXTLKSA-N	295.335	1.298	10	20	CDCD	
COc1cc(O)c(CN2CCN[C@@H](C)[C@H]2C)cc1OC	843057820	LVOCMMDCIYRZKL-WDEREUQCSA-N	280.368	1.592	10	20	CDCD	
C[C@H]1CCNC[C@H]1NCc1ccc(N(C)C)c(F)c1	841058508	IEIPKBILJFJUOG-SMDDNHRTSA-N	265.376	1.979	10	20	CDCD	
C[C@]1(NC(=O)NCCc2ccc(N)cc2)CCOC1	841960464	RHJJMBHDDVCPOO-AWEZNQCLSA-N	263.341	1.290	10	20	CDCD	
CCC1(CNC(=O)C(=O)Nc2ccc(N)cc2)CC1	841062359	KHLXOBCVHFMCRS-UHFFFAOYSA-N	261.325	1.514	10	20	CDCD	
CCc1cccc(CNCCCN2CCN(C)CC2)c1O	848900932	RIFPJLRVNJTTJO-UHFFFAOYSA-N	291.439	1.682	10	20	CDCD	
CN(C)c1ccc(CNC(=S)NC[C@H]2CCOC2)cc1	749666259	POLNMEYVSRWTSO-CYBMUJFWSA-N	293.436	1.753	10	20	CDCD	
CC(C)[C@@H](CNCc1cc(F)ccc1O)C(=O)O	848640407	RFQFVAWRMNOMFZ-LLVKDONJSA-N	255.289	1.978	10	20	CDCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@H](C)CO	840488075	IOHKXYGGCNUOPS-QWHCGFSZSA-N	293.411	1.672	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2ccc([N+](=O)[O-])[nH]2)cc1	917934993	JXOHBXGAZAZVRB-UHFFFAOYSA-N	288.307	1.919	10	20	CDCD	
C[C@H](CCN)NC(=O)NCc1ccc(N(C)C)cc1	841656091	VYLVGOKHQPSLRC-LLVKDONJSA-N	264.373	1.289	10	20	CDCD	
C[C@H](C[C@@H]1CCCN1)NC[C@@H](N)c1ccc(N(C)C)cc1	841042807	PCRVZBLLESNCNN-UKPHBRMFSA-N	290.455	1.873	10	20	CDCD	
CC(C)[C@H](CNC(=O)NCc1ccccc1O)C(=O)O	848593117	YHHNCWGSMNVIAY-NSHDSACASA-N	280.324	1.548	10	20	CDCD	
CCN(C)c1ccc(CN[C@@](C)(CO)C(=O)OC)cc1	852158920	JWFHLYVGXMKUST-HNNXBMFYSA-N	280.368	1.156	10	20	CDCD	
COC(=O)NC1CCN(C(=O)Cc2ccc(N)cc2)CC1	852924572	LPVCERCISFAYSG-UHFFFAOYSA-N	291.351	1.158	10	20	CDCD	
NC(=O)c1csc(CNCc2ccc3c(c2)CCO3)n1	850383611	ILYXIRGKYCANNZ-UHFFFAOYSA-N	289.360	1.467	10	20	CDCD	
C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(N)cc2)[C@H](C)C1	850833627	OUPSCOBSVRAHGE-GHMZBOCLSA-N	275.352	1.854	10	20	CDCD	
CN(CCCO)Cc1cc(F)c(N(C)C)cc1F	862354181	NVTXFLWLHLGYIT-UHFFFAOYSA-N	258.312	1.845	10	20	CDCD	
C[C@@H](C[C@@H]1CCOC1)NC(=O)c1cc(O)cs1	760141753	XOUGSXGMPZIUIQ-IUCAKERBSA-N	255.339	1.999	10	20	CDCD	
CS[C@H](CO)[C@@H](C)NCc1c(C)cccc1O	877049978	WMLSAADOCAYHRS-ZWNOBZJWSA-N	255.383	1.903	10	20	CDCD	
Cc1cccc(O)c1CN[C@@H](C)CC[S@](C)=O	877088228	DHOGUKDYUIPSMZ-GTNSWQLSSA-N	255.383	1.947	10	20	CDCD	
COCC(=O)NC1CCN(Cc2c(C)cccc2O)CC1	876618445	VMTZMULVZTWUNZ-UHFFFAOYSA-N	292.379	1.428	10	20	CDCD	
COC(OC)C(=O)NCc1ccc(N(C)C)c(F)c1	874250775	ZKIZDFUPLDJRRF-UHFFFAOYSA-N	270.304	1.127	10	20	CDCD	
COCCOCCCNC(=O)/C=C\c1ccc(O)c(O)c1	779475343	KHZNPJDCGXOAAG-XQRVVYSFSA-N	295.335	1.280	10	20	CDCD	
Cc1ccc(CN2CCN(CC(C)(C)O)[C@@H](C)C2)c(O)c1	877460332	PLOACSGJSXMHGV-AWEZNQCLSA-N	292.423	1.978	10	20	CDCD	
C[C@@H](NCCOCCN(C)C)c1c(O)cccc1F	886599061	PZMRQNQWLDHDCX-LLVKDONJSA-N	270.348	1.760	10	20	CDCD	
CN(CCc1ccncc1)C(=O)c1c(F)ccc(O)c1O	789963440	IDMZDIWBFZBQJJ-UHFFFAOYSA-N	290.294	1.947	10	20	CDCD	
C[C@H](N[C@H](C)CN1CCOCC1)c1c(O)cccc1F	886503982	MPSBDJJPBIUFBT-NEPJUHHUSA-N	282.359	1.903	10	20	CDCD	
Oc1c(F)cc(F)cc1CNC[C@H]1CN2CCC[C@H]2CO1	882985472	ZBRWPHKSULXKNF-STQMWFEESA-N	298.333	1.623	10	20	CDCD	
COc1cc(C)cc(CN2C[C@H](O)C(C)(C)C2)c1O	894595150	HMCNKFPWYRLKLU-ZDUSSCGKSA-N	265.353	1.912	10	20	CDCD	
C[C@]1(CO)C[C@@H](O)CN1Cc1cc(Cl)cc(F)c1O	895328909	HLFXFETWLAVVRW-ZWNOBZJWSA-N	289.734	1.502	10	20	CDCD	
NC(=O)c1cccc(CSc2ncc([N+](=O)[O-])s2)n1	799950505	OETHILBTGRWUMP-UHFFFAOYSA-N	296.333	1.838	10	20	CDCD	
COc1ccc(CN(C)C[C@H](C)O)c(O)c1OC	893545832	NCXWGOKACGJWHE-VIFPVBQESA-N	255.314	1.222	10	20	CDCD	
Oc1c(F)cc(F)cc1CN1CCO[C@H](CF)C1	894984529	AKQGNMCYMMHWMH-SNVBAGLBSA-N	261.243	1.841	10	20	CDCD	
COc1ccc(N(C)C[C@@H]2CN(C)C(=O)O2)cc1	1349499100	IXVWYFIHUHFQAL-GFCCVEGCSA-N	250.298	1.582	10	20	CDCD	
CC(C)NCCNC(=O)c1ccc(N=NC(N)=O)cc1	1153037631	RPKOTGJCEQTVBP-UHFFFAOYSA-N	277.328	1.577	10	20	CDCD	
CN1C[C@H](NC(=O)c2ccc(CN=[N+]=[N-])o2)CC1=O	1537962390	GOVPYYPKWQKHRX-SSDOTTSWSA-N	263.257	1.050	10	20	CDCD	
O=S(=O)(Nc1ccc(O)cc1Cl)N1CCCC1	85205149	YHPNZZNGKCAWRN-UHFFFAOYSA-N	276.745	1.798	10	20	CDCD	
C[C@H](NCC(=O)NCC1CC1)c1cc(F)ccc1O	186505715	JWBRNJFWQUBKHG-VIFPVBQESA-N	266.316	1.708	10	20	CDCD	
COC(=O)[C@H]1CCC[C@H]1NCc1c(O)cccc1OC	1321868620	SDUINWVGTLBBMX-CMPLNLGQSA-N	279.336	1.832	10	20	CDCD	
CCN(CC(=O)N(C)C)Cc1c(O)cccc1OC	768306255	BARKTCDOFOQCLK-UHFFFAOYSA-N	266.341	1.311	10	20	CDCD	
CO[C@@H]1CCN(C(=O)NCc2ccc(N)cc2)[C@H](C)C1	1335737475	PYPMOLQAYBYFEJ-BXUZGUMPSA-N	277.368	1.978	10	20	CDCD	
COc1ccc(O)c(CN[C@H](CO)CC2CC2)c1	776251780	AEMWPNSJAFZFHQ-LBPRGKRZSA-N	251.326	1.651	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCCC[C@H]1C1OCCO1	790621370	ODPZTQIIWGTGDI-NSHDSACASA-N	293.319	1.465	10	20	CDCD	
O=C(O)[C@@H](CCO)NCc1ccc(N2CCCCC2)cc1	1262163762	GFYHGTVLJORIJN-OAHLLOKOSA-N	292.379	1.602	10	20	CDCD	
COC[C@@H]1CCN(c2nnc(-c3sccc3O)n2C)C1	1262854513	NDPFQPOMTBRYTD-SECBINFHSA-N	294.380	1.722	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NC[C@H]2C[C@H](N)C2)cc1	1350178628	ADFJLISVSDLNNQ-JOCQHMNTSA-N	276.384	1.289	10	20	CDCD	
COc1ccc(N(C)CCN(C)c2cc(N)ncn2)cc1	1515849868	CAGLSFWFFQUOHL-UHFFFAOYSA-N	287.367	1.640	10	20	CDCD	
C[C@]1(C(=O)NCc2cccc(O)c2O)CCCO1	1520508399	AGZQWDLWDDVMSP-CYBMUJFWSA-N	251.282	1.283	10	20	CDCD	
O=C(O)C[C@@H]1CSCCN1C(=O)c1cc(O)cs1	1601967703	JIZKWBSKKVLCFV-SSDOTTSWSA-N	287.362	1.486	10	20	CDCD	
O=C(O)COCC(=O)NCc1c(O)ccc2ccccc12	1602078235	NBMOCXZEQUOAAJ-UHFFFAOYSA-N	289.287	1.263	10	20	CDCD	
Cc1ccc(O)c(CNc2ccc(C(=O)O)nn2)c1	1600466936	IVAVEIYRBUWYQM-UHFFFAOYSA-N	259.265	1.801	10	20	CDCD	
COc1ccc(CN[C@@H]2CNC[C@H]2OC)cc1C	1579218021	NGAJNWINGBEJMV-TZMCWYRMSA-N	250.342	1.080	10	20	CDCD	
COC[C@@H](NCc1cc(Cl)ccc1O)C(=O)O	1599177503	PJDYZGWOXOTYPT-SECBINFHSA-N	259.689	1.235	10	20	CDCD	
COc1ccc(N(C)Cc2cnc(C(=O)O)cn2)cc1F	1599584070	MJQMDYAVBXQTJJ-UHFFFAOYSA-N	291.282	1.959	10	20	CDCD	
COC(=O)COc1ccc(N(C)C)c(C(=O)O)c1	1598866510	INTVZVFEMDWZLY-UHFFFAOYSA-N	253.254	1.003	10	20	CDCD	
CCCOc1ccc(CN2CCn3cnnc3C2)c(O)c1	156048109	AZYNWOYUVUIFAK-UHFFFAOYSA-N	288.351	1.788	10	20	CDCD	
COc1cc(O)c(CN2CCN(C(C)C)CC2)cc1OC	159758299	ZNTGSYZQCPQRTB-UHFFFAOYSA-N	294.395	1.935	10	20	CDCD	
CCN(C(=O)Cc1ccc(N)cc1)[C@H](C)CS(C)(=O)=O	237038940	JKKOTJPRPZSUEV-LLVKDONJSA-N	298.408	1.093	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CNCC2CC2)cc1	40825897	XTLKAPJLVHTCQH-UHFFFAOYSA-N	261.369	1.368	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CC(=O)N[C@@H](C)C2)c1O	296071913	DNGNTSVTVPOGCX-QMMMGPOBSA-N	280.299	1.054	10	20	CDCD	
Oc1cc2c(cc1CNC[C@]1(O)CCSC1)OCO2	702246714	JLZXUQFIFNQZPL-CYBMUJFWSA-N	283.349	1.079	10	20	CDCD	
Nc1ccc(CC(=O)N[C@H]2CC=C(C(=O)O)C2)cc1	694875318	YYXCUGWSRFVZJQ-LBPRGKRZSA-N	260.293	1.101	10	20	CDCD	
CCN1C[C@H](N[C@H]2CCc3cccc(O)c32)CC1=O	391527326	FMYMCCZVBXXSIV-NEPJUHHUSA-N	260.337	1.590	10	20	CDCD	
CCCN1CC[C@H](NCc2cccc(OC)c2O)C1	389557564	SGQMEKMGYUQJEQ-ZDUSSCGKSA-N	264.369	1.975	10	20	CDCD	
CC[C@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1)C(N)=O	112536901	SQZUAYPFZRZCFQ-WFASDCNBSA-N	291.395	1.438	10	20	CDCD	
CC(C)NC(=O)CN(C)C(=O)/C=C/c1ccc(O)c(O)c1	180604044	DIEAGTKTAQRRTC-FNORWQNLSA-N	292.335	1.094	10	20	CDCD	
O=[N+]([O-])c1ccc(O)c(CNC[C@@H]2CC[C@@H](O)C2)c1	188815280	CPLSEDKZMFMGRI-BXKDBHETSA-N	266.297	1.551	10	20	CDCD	
CCOc1cccc(CNCCN(CC)CCO)c1O	184549581	NQGMORXCQREKAN-UHFFFAOYSA-N	282.384	1.195	10	20	CDCD	
CCN(C)S(=O)(=O)N(C)Cc1ccc(N(C)C)cc1	72676721	IADZZRUZVKKHBE-UHFFFAOYSA-N	285.413	1.381	10	20	CDCD	
COC[C@H](C)CNC(=O)c1ccc(C)c(O)c1O	182236319	NLNVMIYFTKSMPA-MRVPVSSYSA-N	253.298	1.419	10	20	CDCD	
COc1ccc(N(C)CCN2C(=O)CCC2=O)c(OC)c1	132262670	LHUOPFWAMSXBGE-UHFFFAOYSA-N	292.335	1.289	10	20	CDCD	
O=C(NCCCF)NCc1ccc(N2CCOCC2)cc1	137384659	VJJOJTNCJKRYCF-UHFFFAOYSA-N	295.358	1.682	10	20	CDCD	
CC(=O)NCCCN[C@H](C)c1cc(F)ccc1O	184922056	PGUMQULXHPIIIK-SECBINFHSA-N	254.305	1.708	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CC([C@@H]2CCOC2)C1	366871882	RHBAHBNUCUELLV-SECBINFHSA-N	263.293	1.206	10	20	CDCD	
Cc1ccc([C@@H](C)NC[C@@H](O)CN2CCCC2)c(O)c1	273369762	FSCPOAXBKDVYJQ-ZIAGYGMSSA-N	278.396	1.808	10	20	CDCD	
CCOCC(=O)N1CCCN(c2ccc(OC)cc2)CC1	363401977	BQNSTOFVZQUOSP-UHFFFAOYSA-N	292.379	1.770	10	20	CDCD	
CCN(CC1OCCO1)c1ccc(OC)c(OC)c1	272140980	WLJCCQBNLSBMJU-UHFFFAOYSA-N	267.325	1.903	10	20	CDCD	
CCN(C)C(=O)[C@@H](C)NCc1ccc(N(C)C)c(F)c1	276738699	RPFZYUYUZYSTFO-LLVKDONJSA-N	281.375	1.848	10	20	CDCD	
CN(C)c1ccc(CNC[C@H](CO)[C@@H]2CCOC2)cc1F	280335442	QSYYPVJJOSAQIS-ZIAGYGMSSA-N	296.386	1.626	10	20	CDCD	
COC(C)(C)CC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	280274485	OVANTDFPKXGARS-JTQLQIEISA-N	281.352	1.960	10	20	CDCD	
CC1(C)CN(Cc2cc3c(cc2O)OCO3)C[C@H]1O	280619618	ZRWILVBBGULNIN-CYBMUJFWSA-N	265.309	1.324	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@@H]2O[C@H](C)C[C@H]2C)c1	800518911	JSYFIACFFHELOF-GPCCPHFNSA-N	279.336	1.831	10	20	CDCD	
COCC1(C(=O)NCc2ccc(O)c(O)c2)CCOCC1	292281976	UUMSOCZRLVMDEU-UHFFFAOYSA-N	295.335	1.157	10	20	CDCD	
CNC(=O)CCN(C)Cc1ccc(N(C)C)c(C)c1	292991634	GAKZAXMCNBVZLV-UHFFFAOYSA-N	263.385	1.629	10	20	CDCD	
COc1ccc(O)c([C@H](C)NCC2=CCNCC2)c1	817968651	VDTJLGCWHDZUIY-NSHDSACASA-N	262.353	1.971	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H](N)C2CCC2)c1	817996587	KLFCCUXCNHMEPU-XPTSAGLGSA-N	278.352	1.705	10	20	CDCD	
C[C@@H](NC(=O)CCCC(=O)N(C)C)c1ccccc1O	827937141	LWYUTIFPSHIEJF-LLVKDONJSA-N	278.352	1.828	10	20	CDCD	
O=C(NCc1cccc(CO)c1)NCc1ccccc1O	729606893	UBBQPTPOZMZCLF-UHFFFAOYSA-N	286.331	1.884	10	20	CDCD	
NC(=O)CN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S	727176893	RTWIALIJPSUCRL-UITAMQMPSA-N	296.348	1.512	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)NCCCN(C)C)c1	729041610	VBHOANCPWPAJDM-LLVKDONJSA-N	295.383	1.713	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC[C@@]2(C)CCC(=O)N2)c1	834908679	LDNUWDMWHKRYBQ-MEBBXXQBSA-N	278.352	1.720	10	20	CDCD	
C[C@H]1CC[C@@H](CNC(=O)c2c(F)ccc(O)c2O)O1	839792007	FQGOTZPTFHMFCY-YUMQZZPRSA-N	269.272	1.534	10	20	CDCD	
O=C(O)/C=C/c1ccc(N2CC[C@@H](O)C2)c([N+](=O)[O-])c1	739627009	WNEJNMCVBXWZPG-XCRNYIDWSA-N	278.264	1.264	10	20	CDCD	
COC[C@@H](OC)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	832431757	UBRBMLLPUMXVHU-SMDDNHRTSA-N	280.368	1.591	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N[C@@H]2CCCNCC2)cc1	841653322	JIQSWEDNZNXICF-CQSZACIVSA-N	290.411	1.694	10	20	CDCD	
Nc1ccc(Cc2nc(CC(=O)NC3CC3)no2)cc1	843218003	VDXQQBWMHHKMLJ-UHFFFAOYSA-N	272.308	1.064	10	20	CDCD	
CC[C@H](COC)NC[C@H](N)c1ccc(N(C)C)cc1	841046161	XEJUNLUIWXTUBC-HIFRSBDPSA-N	265.401	1.767	10	20	CDCD	
COCCN1C(=O)C2(CC2)N[C@H]1c1ccc(N(C)C)cc1	840837179	GXBYKFWZOBAYGU-CQSZACIVSA-N	289.379	1.362	10	20	CDCD	
CN(C)C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1	842786075	TTYDHCLUZABTDJ-GFCCVEGCSA-N	250.346	1.024	10	20	CDCD	
C[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)CC[C@H]1N	843052856	WSMMSBBTPOIZII-RHSMWYFYSA-N	289.423	1.692	10	20	CDCD	
CC[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)OC	928304822	HQQLNXOFDIWTQY-BXKUYDPTSA-N	279.292	1.179	10	20	CDCD	
CN(C)c1ccc(CN[C@@H]2CC23CCNCC3)cc1	841081172	XLUMSGLXGNEMOH-OAHLLOKOSA-N	259.397	1.984	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NCC2(N(C)C)CCC2)c1	858382144	QCAVGNXZWALYGO-UHFFFAOYSA-N	291.395	1.984	10	20	CDCD	
CO[C@@H](C)COC(=O)/C=C/c1ccc(O)c(O)c1	759590964	BPPHDHGGFWNVKU-DNQSNQRASA-N	252.266	1.689	10	20	CDCD	
COc1ccc(CNCCN2CC[C@H](O)C2)cc1C	858338629	JBSSPKFSLXUMDH-AWEZNQCLSA-N	264.369	1.160	10	20	CDCD	
COCCOC[C@H](C)NC(=O)NCc1cc(C)ccc1O	858286698	GCJAZBAWIXVNLV-LBPRGKRZSA-N	296.367	1.551	10	20	CDCD	
O=C(CCc1ccncn1)NCc1ccc(O)c(O)c1	756861779	ORKINAAZFQTHNA-UHFFFAOYSA-N	273.292	1.137	10	20	CDCD	
Oc1cc2c(cc1CNc1cnn(CCF)c1)OCO2	858245459	ITUHFAIJXRZLPL-UHFFFAOYSA-N	279.271	1.899	10	20	CDCD	
Cc1ccc(O)c([C@@H](C)NC[C@H](O)c2cnn(C)c2)c1	756608261	AATSQFSKTIZDRU-ABAIWWIYSA-N	275.352	1.818	10	20	CDCD	
O=C(CCCF)OCC(=O)c1ccc(O)c(O)c1	850193216	AWQQDBLAOXSDBO-UHFFFAOYSA-N	256.229	1.573	10	20	CDCD	
C[C@@H]1C[C@H](NC[C@H](O)CN(C)C)c2c(O)ccc(F)c21	756552226	DCVTZKMJSRBXHG-SCVCMEIPSA-N	282.359	1.592	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)Cc1nc2ncccn2n1	769281999	HLENNADVHKESMO-UHFFFAOYSA-N	297.318	1.031	10	20	CDCD	
COC(=O)[C@H](C)CN(C)Cc1c(C)cccc1O	876618075	YXTGRNNCGRQNEG-LLVKDONJSA-N	251.326	1.942	10	20	CDCD	
CCCN(C)S(=O)(=O)N[C@@H](C)c1ccc(N(C)C)cc1	773089711	UOZVMEZCBXZRNQ-LBPRGKRZSA-N	299.440	1.990	10	20	CDCD	
C[C@H](NC[C@@]1(O)CCO[C@H]1C)c1c(O)cccc1F	886603566	QUBRPJGIPBHDBE-BHDSKKPTSA-N	269.316	1.722	10	20	CDCD	
COc1cc(NC(=O)NCc2ccccc2O)ncn1	783069826	IZLWJJIWXFKKEK-UHFFFAOYSA-N	274.280	1.513	10	20	CDCD	
CO[C@@]1(CN[C@H](C)c2c(O)cccc2F)CCOC1	886590135	OLTSWVNONKYMHC-QMTHXVAHSA-N	269.316	1.987	10	20	CDCD	
CC[C@H](NCCN1CCNC1=O)c1ccc(F)cc1O	886745101	OEOWWCLMVSXASD-LBPRGKRZSA-N	281.331	1.597	10	20	CDCD	
COCC[C@](C)(O)CN[C@H](C)c1c(O)cccc1F	886528869	SLXHPMCDXCZZGF-YGRLFVJLSA-N	271.332	1.969	10	20	CDCD	
CO[C@H]1CN(Cc2cc(Cl)c(F)cc2O)CCO1	895963568	PTTJUGXKPNEQBY-GFCCVEGCSA-N	275.707	1.989	10	20	CDCD	
CCOC(=O)[C@H](NCc1ccccc1O)[C@@H]1CCCOC1	789578882	DBKIMFJNWNZIGM-UKRRQHHQSA-N	293.363	1.840	10	20	CDCD	
CC[C@@H](CO)Nc1cc(NCc2ccccc2O)ncn1	892160661	BOGIIVCBKXNDDR-LBPRGKRZSA-N	288.351	1.977	10	20	CDCD	
CCC1(O)CCC(NC(=O)c2cccc(O)c2O)CC1	790912945	ZPBZDTVTBHVIDH-UHFFFAOYSA-N	279.336	1.911	10	20	CDCD	
CNC(=O)[C@H]1CCCCN1Cc1cccc(OC)c1O	133051343	DZLQLCXWUMNROF-GFCCVEGCSA-N	278.352	1.501	10	20	CDCD	
COc1ccc(CNS(=O)(=O)CCC2CC2)c(O)c1	795358803	RPGIHCWGAIGCFT-UHFFFAOYSA-N	285.365	1.620	10	20	CDCD	
CN(C)c1ccc(CN(Cc2nnn(C)n2)C2CC2)cc1	799297552	WHGAZMMUCLPYIF-UHFFFAOYSA-N	286.383	1.441	10	20	CDCD	
CCN(CCNC(=O)c1cccc(O)c1O)C(C)C	790627969	WKFZWOZWUQRTCM-UHFFFAOYSA-N	266.341	1.558	10	20	CDCD	
CCN(CC)c1ccc(CN[C@H](C(=O)O)[C@@H](C)O)cc1	75423922	AAYLZRNFNFXTEJ-RISCZKNCSA-N	280.368	1.456	10	20	CDCD	
O=C(Cn1cc(C2CC2)nn1)NCc1ccccc1O	1319262275	YWRYBLCQVJXXJR-UHFFFAOYSA-N	272.308	1.178	10	20	CDCD	
O=C(N[C@@H]1CCOC2(CCC2)C1)c1cccc(O)c1O	279686023	BBARHUIUZQOODK-SNVBAGLBSA-N	277.320	1.929	10	20	CDCD	
Cc1ccc(O)c(CNS(=O)(=O)N2CCCC[C@@H]2C)c1	1329240154	ZHXLVHCGABWSMY-LBPRGKRZSA-N	298.408	1.909	10	20	CDCD	
CCN(CC)CC[C@H](C)NC(=O)c1cccc(O)c1O	1348360598	NKBMDAGUZQGFTJ-NSHDSACASA-N	280.368	1.948	10	20	CDCD	
CN(C(=O)CCSCCCN)c1ccc(N)cc1	1340731506	YKLJDWGSBCNCNK-UHFFFAOYSA-N	267.398	1.704	10	20	CDCD	
O=C(NCc1cccc(O)c1O)c1occ2c1CCOC2	1350300798	YWGUJPVWKMCJLK-UHFFFAOYSA-N	289.287	1.694	10	20	CDCD	
O=C(O)c1cc(CNCc2ccc3c(c2)CCO3)c[nH]1	1608843752	ZHCLXWKTVZKHME-UHFFFAOYSA-N	272.304	1.938	10	20	CDCD	
COC[C@@]1(C(=O)O)CCN(C(=O)c2cc(O)cs2)C1	1604534303	RQSMYEKIYPWFAI-GFCCVEGCSA-N	285.321	1.017	10	20	CDCD	
CN(C)c1ccc(CN[C@H]2CCO[C@H]2C(=O)O)cc1	1606055694	MXURCLJYYFLGST-QWHCGFSZSA-N	264.325	1.084	10	20	CDCD	
CO[C@@]1(C(=O)O)CCN(Cc2cc(F)c(F)cc2O)C1	1606705741	GHUOSYIUHWQJBR-ZDUSSCGKSA-N	287.262	1.346	10	20	CDCD	
CCOC[C@H](O)CSc1ncc(C(=O)O)s1	1605623739	OSCVIMHCONHREM-LURJTMIESA-N	263.340	1.331	10	20	CDCD	
CO[C@H](C)[C@H](C)N[C@H](C)c1cccc(-c2nn[nH]n2)c1O	1591323935	GMKMCCCSFZLUIB-IVZWLZJFSA-N	291.355	1.646	10	20	CDCD	
COCCOC[C@@H](C)N[C@@H](C)c1cc(C(=O)O)ccc1O	1599248920	ACNPNDIFBDOXKR-MNOVXSKESA-N	297.351	1.793	10	20	CDCD	
CC(C)(C)OC[C@@H](NCc1ccc2c(c1)CCO2)C(=O)O	1776262752	AREBSBNRVMHHJB-CYBMUJFWSA-N	293.363	1.979	10	20	CDCD	
CC[C@H](CCO)CNC(=O)NCc1ccc(N(C)C)cc1	153794809	ORZJRUCYUFWHDI-CYBMUJFWSA-N	293.411	1.960	10	20	CDCD	
COc1cccc(O)c1CN1CCC[C@H]([C@H](C)N)C1	843052779	WEAVCUZHBYPHHW-RYUDHWBXSA-N	264.369	1.960	10	20	CDCD	
Cn1nncc1CNCc1c(O)cccc1Br	706872053	FEYDZBVTTIKXPM-UHFFFAOYSA-N	297.156	1.573	10	20	CDCD	
COC[C@H]1CCCCN(C(=O)c2cccc(O)c2O)C1	370501392	WXSWYFZZMXGGOY-NSHDSACASA-N	279.336	1.987	10	20	CDCD	
CC(=O)N1CCCN(Cc2cc(F)cc(F)c2O)CC1	708432498	CQMLITROUOSVQL-UHFFFAOYSA-N	284.306	1.725	10	20	CDCD	
O=C1CC[C@H]2CN(Cc3cc(F)cc(F)c3O)CCN12	708421751	IAVYVYPZQIPECV-NSHDSACASA-N	282.290	1.477	10	20	CDCD	
C[C@](O)(CNCc1ccc2c(c1)CCO2)C(F)F	698651747	BOVWDSFGOBRWDO-ZDUSSCGKSA-N	257.280	1.727	10	20	CDCD	
COCCOc1ccccc1NC[C@@H](O)COC	819426213	LSPOKLDHPCTHNN-LLVKDONJSA-N	255.314	1.131	10	20	CDCD	
CCN1CCN(C(=O)c2ccc(C)c(O)c2O)CC1	179379914	BKAYWGZTKYTFRY-UHFFFAOYSA-N	264.325	1.184	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCCC1=O	60751632	GASJWFDJAPTXMV-UHFFFAOYSA-N	289.379	1.333	10	20	CDCD	
C[C@@H](NCc1c(O)cccc1Cl)[C@@H]1CN(C)CCO1	129234843	QTOJDDIYJIVVAU-YGRLFVJLSA-N	284.787	1.854	10	20	CDCD	
Cn1ccc(CC(=O)NCCCSc2nccs2)n1	183582869	XZHUWBPPZXXCJU-UHFFFAOYSA-N	296.421	1.718	10	20	CDCD	
CC[C@@H](C(=O)NCc1ccc(O)c(O)c1)N1CCCC1=O	182547828	XDEVRQLXISGTAH-NSHDSACASA-N	292.335	1.115	10	20	CDCD	
OCCO[C@@H]1CCCN(Cc2cc(F)ccc2O)C1	180134442	FGQPKFBWNBXCDK-CYBMUJFWSA-N	269.316	1.505	10	20	CDCD	
CO[C@@H]1CCN(c2ccc(/C=C\C(=O)O)cc2[N+](=O)[O-])C1	313665017	ZIVCSIGVXXWXCR-USEMIUTHSA-N	292.291	1.918	10	20	CDCD	
CC[C@@H](C)NC(=O)c1cc(NS(C)(=O)=O)ccc1O	48923162	LWXRQLBBNHCKQN-MRVPVSSYSA-N	286.353	1.292	10	20	CDCD	
CC[C@@H](N[C@@H](CCO)COC)c1ccccc1O	229556253	LOMSFTVMJRKKBF-WCQYABFASA-N	253.342	1.830	10	20	CDCD	
CCN(CCNC(=O)NCc1ccccc1O)C1CC1	263786555	XMRPUDSMTFHRRE-UHFFFAOYSA-N	277.368	1.676	10	20	CDCD	
CCN(C)CCN[C@H](C)c1cc([N+](=O)[O-])ccc1O	273384056	IZHCIRZBFSCKTO-SNVBAGLBSA-N	267.329	1.903	10	20	CDCD	
CN(C)c1ccc(CN2CCC[C@@H](S(C)(=O)=O)C2)cc1	274093040	ISJXHOSDRIQEHH-OAHLLOKOSA-N	296.436	1.762	10	20	CDCD	
CC1(C)CN(C(=O)/C=C/c2ccc(O)c(O)c2)CC[C@H]1O	275821060	JTNJFCUWXCUHOA-YVARQFDVSA-N	291.347	1.730	10	20	CDCD	
COCCOCCOCCCNCc1cccc(C)c1O	274457158	UIJWIZIOVSXENU-UHFFFAOYSA-N	297.395	1.860	10	20	CDCD	
CCCN(CCO)CC(=O)NCc1ccc(N(C)C)cc1	272439818	ZWSCBDAMTCUTOK-UHFFFAOYSA-N	293.411	1.073	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cnns1	273174094	MUULWNAGQAEBPB-ZETCQYMHSA-N	279.321	1.310	10	20	CDCD	
CC(=O)N1CCN(c2ccc(OCC(C)(C)O)cc2)CC1	270064963	CYPBPFGWBFHENE-UHFFFAOYSA-N	292.379	1.505	10	20	CDCD	
CCOc1ccc(O)c(CN[C@H](C(=O)OC)C2CC2)c1	276498881	RKWSKCFBGUTHHT-AWEZNQCLSA-N	279.336	1.832	10	20	CDCD	
CCC(=O)c1ccc(OCC(=O)C(C)=O)c(F)c1	289677435	PNJWRUFEKDVVCZ-UHFFFAOYSA-N	252.241	1.955	10	20	CDCD	
CO[C@@](C)(CNC(=O)c1c(F)ccc(O)c1O)C1CC1	295938085	GJFIYASTSHTAGD-AWEZNQCLSA-N	283.299	1.782	10	20	CDCD	
C[C@@H]1CSC[C@@H]1NC(=O)NCc1ccccc1O	805790557	BDQJMFNMVYOJCA-KOLCDFICSA-N	266.366	1.943	10	20	CDCD	
COc1ccc(N2CC[C@H](CNC(=O)C(C)(C)O)C2)cc1	819590065	WJTUPATXRSAABM-GFCCVEGCSA-N	292.379	1.409	10	20	CDCD	
C[C@@H](CCCCO)NC[C@@H](N)c1ccc(N(C)C)cc1	817942572	PPIPTBDQWJPRRF-XJKSGUPXSA-N	279.428	1.893	10	20	CDCD	
COCCNCCN[C@H](C)c1cc(Cl)ccc1O	817964406	BJTCNNTVFLZPSU-SNVBAGLBSA-N	272.776	1.932	10	20	CDCD	
CCOCc1cc(CN[C@H](C)CC(=O)NC)ccc1OC	825068852	YYAJEAPMWPZJJD-GFCCVEGCSA-N	294.395	1.846	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@H](O)c1cccnc1	734557207	BWTNDNLQLLABEK-MRXNPFEDSA-N	299.374	1.806	10	20	CDCD	
CC[C@H](O)[C@@H](C)C(=O)NCc1ccc(O)c(O)c1	901130616	DORVROBXHYXFOS-SCZZXKLOSA-N	253.298	1.121	10	20	CDCD	
CC[C@H]1[C@H](C)CCN1C(=O)C(=O)Nc1ccc(N)cc1	841094431	YYNHWCRMRMUHGZ-MFKMUULPSA-N	275.352	1.854	10	20	CDCD	
CC(=O)NCCN(C)Cc1ccc(N(C)C)c(F)c1	843428183	RHDNAVOZONREID-UHFFFAOYSA-N	267.348	1.460	10	20	CDCD	
CCN1CCN(Cc2c(O)ccc3ccncc23)CC1=O	758261148	AHROYVQENJXOMH-UHFFFAOYSA-N	285.347	1.605	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NCCCn2cccn2)c1	858150806	JRCJLNJQEKEQCP-UHFFFAOYSA-N	288.351	1.787	10	20	CDCD	
COC(=O)CCCCOC(=O)c1ccc(C)c(O)c1O	859534073	APSPGPMKUWUYBT-UHFFFAOYSA-N	282.292	1.906	10	20	CDCD	
C[C@@H]1C[C@@H](NC[C@]2(O)CCOC2)c2c(O)ccc(F)c21	756769828	NYYBHNQAKHRFCO-XDMRBOTDSA-N	281.327	1.821	10	20	CDCD	
Cn1cc([C@H](O)C(=O)NCc2cc(Cl)ccc2O)cn1	857548388	LFOFCGXRHKFQMX-LBPRGKRZSA-N	295.726	1.129	10	20	CDCD	
C[C@@H](Nc1cnn(CCO)c1)c1cc([N+](=O)[O-])ccc1O	756855062	LECPMOKACWPCJB-SECBINFHSA-N	292.295	1.662	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)NCC2(CO)CCC2)c1	757655269	CYURHSQUZURALD-NSHDSACASA-N	293.363	1.992	10	20	CDCD	
CCOc1ccc(CN2CCC[C@@H](CC(N)=O)C2)c(O)c1	769524318	LHXGWJQYSZIFEU-LBPRGKRZSA-N	292.379	1.878	10	20	CDCD	
CCC[C@H](O)C(=O)NCCCSc1nccs1	932684518	XWFGFLJZEWKQLW-VIFPVBQESA-N	274.411	1.903	10	20	CDCD	
Cc1ccc(CNCC(C)(C)OCCO)c(O)c1	877536049	WCGVYAFRFVMLBC-UHFFFAOYSA-N	253.342	1.578	10	20	CDCD	
Cc1ncncc1C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1	1118193251	MECKSGBKWZJKSJ-OAHLLOKOSA-N	299.378	1.281	10	20	CDCD	
CC(=O)c1cc(O)ccc1NS(=O)(=O)C[C@@H]1CCCO1	766048037	PIDUZMYMKJCTKT-NSHDSACASA-N	299.348	1.516	10	20	CDCD	
CC[C@@H]1C(=O)N(CC)CCN1Cc1cc(F)ccc1O	779218941	WTEQJBWDDQHEHO-CYBMUJFWSA-N	280.343	1.974	10	20	CDCD	
CN(C)c1ccc(CN[C@H]2CCCNC(=O)C2)cc1	876905398	GRJKAFVDALQHAR-ZDUSSCGKSA-N	261.369	1.511	10	20	CDCD	
C[C@H]1CCNC(=O)[C@H]1NCc1cc(F)cc(F)c1O	883111950	UTEOEVOQPWCEBB-CPCISQLKSA-N	270.279	1.285	10	20	CDCD	
O=C1NCCN1CCNCc1c(O)cccc1Cl	886323590	AKPYWQPCPASSMT-UHFFFAOYSA-N	269.732	1.160	10	20	CDCD	
Cc1ccc(C(=O)NCCOC[C@H]2CCCO2)c(O)c1O	780943434	KLNJBHZHYVWOIR-LLVKDONJSA-N	295.335	1.332	10	20	CDCD	
O=C(c1c(F)ccc(O)c1O)N1C[C@H]2CC[C@@H](O)[C@H]2C1	899388533	MCXPSYHFVHVHQF-KHQFGBGNSA-N	281.283	1.080	10	20	CDCD	
COCc1nc(OC)cc(N(C)Cc2ccccc2O)n1	785836066	SCUSVNCDELIKBH-UHFFFAOYSA-N	289.335	1.974	10	20	CDCD	
c1cc(N2CCOCC2)ccc1CN1CC2(CCOC2)C1	1138494684	FYQCVSMXLYCMEK-UHFFFAOYSA-N	288.391	1.746	10	20	CDCD	
COc1cc(C)cc(CN[C@H](CCO)C2CC2)c1O	894295716	JEXABEVKRLODMD-CYBMUJFWSA-N	265.353	1.960	10	20	CDCD	
CCOc1cccc(CN2C[C@H](O)C[C@]2(C)CO)c1O	895327948	FGVHGVYFYZYOIW-IUODEOHRSA-N	281.352	1.109	10	20	CDCD	
NC(=O)[C@@H]1CCN(Cc2ccc(Br)cc2O)C1	691684087	TWMGILSYHOTUQL-SECBINFHSA-N	299.168	1.462	10	20	CDCD	
O=C(Nc1c(Cl)ccc2nonc12)[C@H]1CCOC1	1320947421	XWRLUYYNHJCLMF-LURJTMIESA-N	267.672	1.851	10	20	CDCD	
Cc1ccc(C(=O)NCCc2ccc(O)c(O)c2)o1	193987886	YWRUMQYQCLASHE-UHFFFAOYSA-N	261.277	1.972	10	20	CDCD	
CN[C@@H](C)CCNC(=O)NCc1ccc(N(C)C)cc1	1325371656	LDKKASQMBNHNSL-LBPRGKRZSA-N	278.400	1.550	10	20	CDCD	
CN(Cc1cc(F)ccc1O)Cc1nnc2n1CCC2	778994773	KTLZAOINPMMEPA-UHFFFAOYSA-N	276.315	1.701	10	20	CDCD	
CCOc1cccc(CN2C[C@@H]3CCNC[C@@H]3C2)c1O	904420937	JHAMTGHHDRZCHO-GXTWGEPZSA-N	276.380	1.832	10	20	CDCD	
Cc1cccc(CN[C@H](C(=O)O)c2ccn(C)n2)c1O	1600532675	ZBCNQQLDEDPTDE-LBPRGKRZSA-N	275.308	1.350	10	20	CDCD	
CC(=O)NC[C@@H]1CCCCN1Cc1ccc(N)cc1	1575006627	OZUDAHSNVFLUDO-HNNXBMFYSA-N	261.369	1.759	10	20	CDCD	
C[C@@]1(CN)CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1	1576502863	IMCADULDEBJXMZ-AWEZNQCLSA-N	289.339	1.660	10	20	CDCD	
CC(C)N(C)C[C@H](O)CSc1ncc(C(=O)O)s1	1591549317	CMNHLOABVXGDIL-QMMMGPOBSA-N	290.410	1.635	10	20	CDCD	
COC[C@@H](CC(=O)O)NCc1c(O)ccc(Cl)c1F	1777228945	POZLAAVXBLWYMC-SSDOTTSWSA-N	291.706	1.764	10	20	CDCD	
CC(C)N(C)CCCNCc1cc2c(cc1O)OCO2	227436300	USIHLFDPMBCQSA-UHFFFAOYSA-N	280.368	1.941	10	20	CDCD	
C[C@H](N)[C@H]1CCCCN1C(=O)Cc1ccc(N)cc1	237540598	YWRQOKRLALYYCU-SMDDNHRTSA-N	261.369	1.540	10	20	CDCD	
Oc1cccc(Cl)c1CN1C[C@@H]2CNC[C@@H]2C1	128343683	OQTFDKYTENSPBV-AOOOYVTPSA-N	252.745	1.697	10	20	CDCD	
COC[C@H](O)CCN[C@@H](C)c1ccc(C)cc1O	186203187	NHWORQDBNWOKHD-NWDGAFQWSA-N	253.342	1.749	10	20	CDCD	
CN(Cc1ccc(N2CCCCC2)cc1)S(N)(=O)=O	74039213	LTZKKEYBBGEXPI-UHFFFAOYSA-N	283.397	1.312	10	20	CDCD	
COC[C@@H](NC(=O)NCc1cccc(OC)c1O)C1CC1	120092311	QTKMKHZGDDCOJN-GFCCVEGCSA-N	294.351	1.625	10	20	CDCD	
COCCN(Cc1ccc(N(C)C)cc1)[C@@H](C)C(N)=O	93136962	CGOWHAIMFBTUIJ-LBPRGKRZSA-N	279.384	1.075	10	20	CDCD	
CC(=O)NCCCN[C@H](C)c1ccc(C)cc1O	184921899	AUNKUQGKSQKAKW-LLVKDONJSA-N	250.342	1.877	10	20	CDCD	
CO[C@@H](C)CCNCc1cc([N+](=O)[O-])ccc1O	263776737	DSRWNTWPQYIQNK-VIFPVBQESA-N	254.286	1.815	10	20	CDCD	
C[C@@H]1CN(Cc2ccccc2O)CC[S@@](=O)C1	277311893	BPGZPGCGYWZMOT-PIGZYNQJSA-N	253.367	1.593	10	20	CDCD	
C[C@H](CO[C@@H]1CCOC1)NC(=O)c1cccc(O)c1O	279360106	SQLGIPOOYUUAIY-NXEZZACHSA-N	281.308	1.022	10	20	CDCD	
Cc1ccc([C@H](C)NC[C@@H](O)CN2CCCC2)c(O)c1	273369759	FSCPOAXBKDVYJQ-UONOGXRCSA-N	278.396	1.808	10	20	CDCD	
Cn1ncc2c1CCC[C@@H]2NC(=O)c1cccc(O)c1O	279443216	DAIMIJXURSDJDX-NSHDSACASA-N	287.319	1.639	10	20	CDCD	
COc1cccc(CN2CC[C@@H]([C@H](C)O)C2)c1O	272559712	SXBRBXPLXZECGC-WDEREUQCSA-N	251.326	1.604	10	20	CDCD	
COC[C@H](CCO)N[C@@H](C)c1cc([N+](=O)[O-])ccc1O	273592736	POYMDMUGFAZPOA-UWVGGRQHSA-N	284.312	1.348	10	20	CDCD	
Cc1c(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cnn1C	273129581	BGYPPRVJXHYUID-VIFPVBQESA-N	289.335	1.501	10	20	CDCD	
COC(=O)C1(CNCc2ccc(N(C)C)c(F)c2)CC1	275342753	XLOCLFIHCUOUGD-UHFFFAOYSA-N	280.343	1.935	10	20	CDCD	
Cc1ccc(O)c(CN2CCN(C[C@H](C)O)C[C@H]2C)c1	284438840	SOVZHKZEOPJMBT-KGLIPLIRSA-N	278.396	1.588	10	20	CDCD	
COc1ccc(CNC(=O)CCc2ncc[nH]2)c(O)c1	807453728	FLWYTBSLNXGSHD-UHFFFAOYSA-N	275.308	1.373	10	20	CDCD	
COc1ccc(O)c(CNC(=O)OC[C@@H]2CCCO2)c1	805013573	WYANCDJEKDZYHT-LBPRGKRZSA-N	281.308	1.806	10	20	CDCD	
COc1cc(Cl)cc(CN2CC(=O)N[C@@H](C)C2)c1O	295109897	VZPHDKMMDIPPFT-QMMMGPOBSA-N	284.743	1.375	10	20	CDCD	
OC[C@@H]1CN(Cc2cc(F)ccc2O)CCC1(F)F	291028444	BCABOPHLYYMZBR-JTQLQIEISA-N	275.270	1.981	10	20	CDCD	
CSC[C@@H](O)CNCc1ccc(N(C)C)cc1	818941927	UIVPZZZVTJWLPT-ZDUSSCGKSA-N	254.399	1.566	10	20	CDCD	
C[C@H](NCC(F)(F)CN)c1cc([N+](=O)[O-])ccc1O	817966467	OJWOFUJEQQQPKQ-ZETCQYMHSA-N	275.255	1.545	10	20	CDCD	
O=C(NCc1ccccc1O)c1cccc(-n2cccn2)n1	736673424	XHJHDYYAUDXQBN-UHFFFAOYSA-N	294.314	1.903	10	20	CDCD	
CC[C@H](NC(=O)c1ccc(C)c(O)c1O)[C@H](C)O	836862860	NEWLWBCKGMZKMP-WPRPVWTQSA-N	253.298	1.295	10	20	CDCD	
COCCCOCCC(=O)NCc1ccc(O)c(O)c1	830559269	LHMFTULEIVCHBY-UHFFFAOYSA-N	283.324	1.157	10	20	CDCD	
COc1ccc(O)c(CNS(=O)(=O)C2(C)CC2)c1	830638960	ZNSHDUOUHCEYDE-UHFFFAOYSA-N	271.338	1.373	10	20	CDCD	
CCOC1CN(Cc2ccc(N3CCOCC3)c(F)c2)C1	839131426	AAOAABHISPLPPB-UHFFFAOYSA-N	294.370	1.883	10	20	CDCD	
CCCn1nccc1C(=O)NCc1ccc(O)c(O)c1	830559009	GLRILRQFHBKIBW-UHFFFAOYSA-N	275.308	1.634	10	20	CDCD	
CS[C@@H](C)C(=O)NC[C@H](N)c1ccc(N(C)C)cc1	832299665	FVCCBEPLBHONDP-GWCFXTLKSA-N	281.425	1.620	10	20	CDCD	
Cc1noc(CN(C)C(=O)c2c(F)ccc(O)c2O)n1	848392194	KNFGKMCEPCTFLY-UHFFFAOYSA-N	281.243	1.201	10	20	CDCD	
CC[C@@H](C)[C@@](C)(O)CNC(=O)NCCc1ccc(N)cc1	841955189	VFOATCKLOSPIBP-WBMJQRKESA-N	293.411	1.908	10	20	CDCD	
N[C@@H]1CCN(C(=O)NCCCSc2nccs2)C1	841858307	WUMRQXIVKOIYCN-SECBINFHSA-N	286.426	1.368	10	20	CDCD	
CCN1CCC[C@H](NC(=O)NCc2ccccc2O)C1=O	915525755	QXJJOFUDSBDGPZ-LBPRGKRZSA-N	291.351	1.202	10	20	CDCD	
NC(=O)c1cccc(NC(=O)c2cc(O)cs2)c1	747579504	IAXJGENYWBCARL-UHFFFAOYSA-N	262.290	1.805	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)O[C@H]2CCOC2)c1	918004033	JZKFDDFQFZBIFT-NSHDSACASA-N	251.282	1.716	10	20	CDCD	
Cc1ccc(C(=O)NC(C)(C)c2ncc[nH]2)c(O)c1O	846243890	AJVLFOIZHMPARL-UHFFFAOYSA-N	275.308	1.794	10	20	CDCD	
O=S(=O)(NCc1cc(Cl)ccc1O)NC1CC1	845995841	HUGAILUQHXXLLE-UHFFFAOYSA-N	276.745	1.132	10	20	CDCD	
CC(C)c1nncn1CCNC(=O)c1cc(O)cs1	745999186	WEQNNIZIRMCLLE-UHFFFAOYSA-N	280.353	1.599	10	20	CDCD	
COC[C@@H](NC(=O)NCCc1ccc(N)cc1)C1CC1	841864786	XLOUWCBOLZHEOT-CQSZACIVSA-N	277.368	1.536	10	20	CDCD	
CCN1C[C@@H](CNCc2cc(C)c(C)cc2O)CC1=O	846092318	CDLSPFILDHOIEA-CYBMUJFWSA-N	276.380	1.967	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)C1SCCCS1	841407358	YNZPFEJPAXRINJ-UHFFFAOYSA-N	285.390	1.910	10	20	CDCD	
C[C@H](COCC1CC1)NC(=O)c1cc(O)cs1	846661679	LJJOYIKKQCCUGA-MRVPVSSYSA-N	255.339	1.999	10	20	CDCD	
CN1CCCc2cc(CN[C@H]3C(=O)NCC3(C)C)ccc21	924869612	HXHUBYPPZGOXIW-HNNXBMFYSA-N	287.407	1.683	10	20	CDCD	
COc1ccc(N2CCN(c3cnc(F)cn3)CC2)cc1	853085782	YZOGDIDGKAQTRY-UHFFFAOYSA-N	288.326	1.951	10	20	CDCD	
Cn1c(C(=O)NCc2ccccc2O)cccc1=O	757101702	WCSLIHUIMZNSJG-UHFFFAOYSA-N	258.277	1.021	10	20	CDCD	
O=C(COc1cccnc1)NCCc1ccc(O)c(O)c1	768901295	ZHQLIJKUULCHFH-UHFFFAOYSA-N	288.303	1.231	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@H]2CCc3cnn(C)c3C2)c1	862756198	SOKBGKBJVXPRTN-LBPRGKRZSA-N	299.374	1.855	10	20	CDCD	
COc1ccc(O)c(CN[C@H](C)Cn2cncn2)c1	776070300	JTPYSZHCEYNCDL-SNVBAGLBSA-N	262.313	1.171	10	20	CDCD	
CCO[C@@H]1C[C@H](NC(=O)c2cc(O)cs2)[C@@H]1OC	776227247	JSRQVOYVIHZQET-NGZCFLSTSA-N	271.338	1.376	10	20	CDCD	
Oc1c(Br)cccc1CN1C[C@H]2CNC[C@@H]2C1	770396212	ZAPVXUFEKOXDDG-GHMZBOCLSA-N	297.196	1.806	10	20	CDCD	
C[C@H](N[C@H](C)c1nnnn1C)c1ccc(N(C)C)cc1	786785598	PACKCUCZPDTVME-WDEREUQCSA-N	274.372	1.688	10	20	CDCD	
CC[C@H]1CC[C@@H](C(=O)OCC(=O)c2ccc(O)c(O)c2)O1	784104046	MTWOUJSTHVDZOU-HZMBPMFUSA-N	294.303	1.781	10	20	CDCD	
Cc1ccc(C(=O)Nc2cccnc2O)c(O)c1O	780920401	ITKRUQCYNYLTAN-UHFFFAOYSA-N	260.249	1.759	10	20	CDCD	
C[C@H]1CN(C(=O)c2cc(O)cs2)C[C@]2(CCOC2)O1	796191778	ANBBAMUTAPCLIL-ZANVPECISA-N	283.349	1.474	10	20	CDCD	
COc1ccc(O)c(CNC(=O)NOCCSC)c1	793017857	ULCCGZGBZQHGSL-UHFFFAOYSA-N	286.353	1.495	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NS(=O)(=O)N2CCC2)c1	795854228	SBCHCYSBTKNNOF-SECBINFHSA-N	286.353	1.002	10	20	CDCD	
Oc1ccc(Cl)c(F)c1CN1C[C@@H]2CNC[C@H]2C1	792173201	UUEUNWFHMYCHJY-IUCAKERBSA-N	270.735	1.836	10	20	CDCD	
CCCS(=O)(=O)CCN[C@H](C)c1ccccc1O	879648750	CEBSTTSEDMLIOH-LLVKDONJSA-N	271.382	1.868	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CC[C@H]2OCCC[C@@H]2C1	187197393	RMWAHIGHTICOEZ-ZWNOBZJWSA-N	277.320	1.739	10	20	CDCD	
COc1cc(C)cc(CNCc2nnc(C)n2C)c1O	1331533510	NEOKYRLDQYEZTD-UHFFFAOYSA-N	276.340	1.436	10	20	CDCD	
Nc1ccc(CNC(=O)N[C@H]2CCCC[C@@H]2O)cc1	1336290764	RDBAXOUWFOTFLM-STQMWFEESA-N	263.341	1.372	10	20	CDCD	
COc1cc(O)c(CN2C[C@H]3CC[C@H]2[C@@H](O)C3)cc1OC	1331062929	WDCROHUKOIXRKD-JKOKRWQUSA-N	293.363	1.755	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@H]2CC[C@H](N)C2)cc1	91542438	MOSPQYNYDRDPSU-STQMWFEESA-N	261.369	1.496	10	20	CDCD	
Cc1cnn(CCC(=O)NCc2cccc(O)c2O)c1	1349078805	JQSUBLBGJMQRHJ-UHFFFAOYSA-N	275.308	1.309	10	20	CDCD	
COc1cccc(O)c1CN[C@H]1CC[C@@H](C(=O)O)C1	1607326320	DKSSLHXCKFCOKJ-ZJUUUORDSA-N	265.309	1.744	10	20	CDCD	
CCN(C)C(=O)[C@H](C)N[C@H](C)c1cc(C(=O)O)ccc1O	1605406479	ZMTUJYQKAOYMQU-ZJUUUORDSA-N	294.351	1.608	10	20	CDCD	
C[C@H](N[C@H](C)c1cc(C(=O)O)ccc1O)c1ncnn1C	1604323245	XHNFRHLSHISDJP-BDAKNGLRSA-N	290.323	1.631	10	20	CDCD	
O=C(O)Cn1cc(NCc2ccc(F)c(F)c2O)cn1	1606341254	PJVXOJSCGNQBLR-UHFFFAOYSA-N	283.234	1.564	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@]2(C(=O)O)C[C@H]2C)c1	1605296392	HENHRLINXMBSJE-OTYXRUKQSA-N	263.293	1.428	10	20	CDCD	
O=C(NCc1cccc(Cl)c1O)N[C@@H]1CCNC1	1580718170	FHXCEFQYXXYTJR-SECBINFHSA-N	269.732	1.207	10	20	CDCD	
CC(C)c1ccc(O)c(CN2C[C@@H](O)C[C@H]2C(=O)O)c1	1591973612	DIKQIMNPADNBOY-STQMWFEESA-N	279.336	1.535	10	20	CDCD	
CCN(CC)c1ccc(CNC[C@H](O)CC(=O)O)cc1F	1776860904	BEZPKKPKBHGULV-GFCCVEGCSA-N	298.358	1.597	10	20	CDCD	
c1cc2c(cc1CN[C@@H]1[C@@H]3C[C@H]4[C@H](CN[C@H]41)C3)CCO2	925560960	XRUXKLSPRJEWGM-WLRQEKSISA-N	270.376	1.708	10	20	CDCD	
CN1CC=C(CNCc2ccc3c(c2)CCO3)CC1	271859124	INIZAIUZXHUHGR-UHFFFAOYSA-N	258.365	1.973	10	20	CDCD	
CCNC(=O)CNCc1ccc(N(CC)CC)cc1	35134181	LNNMXNPWWGJYPM-UHFFFAOYSA-N	263.385	1.759	10	20	CDCD	
C[C@@H]1C[C@@H](NCc2cc3c(cc2O)OCO3)CCN1C	90720546	LLOXYNQZLBDAQZ-PWSUYJOCSA-N	278.352	1.693	10	20	CDCD	
Cn1cc(Cl)c(CNCc2cc3c(cc2O)OCO3)n1	393329304	ZVOOLXOGVQRTLZ-UHFFFAOYSA-N	295.726	1.798	10	20	CDCD	
COc1cccc(CN[C@@H]2CCNC(=O)CC2)c1O	396770305	SCSKNDUANOLSHF-NSHDSACASA-N	264.325	1.159	10	20	CDCD	
CC(=O)N[C@@H](C)C(=O)N(C)Cc1ccc(N(C)C)cc1	27390693	DDQCKKWUTVMHFU-NSHDSACASA-N	277.368	1.236	10	20	CDCD	
CS(=O)(=O)NCCCNCc1c(O)cccc1Cl	113317457	GDZDKZOFEUSZRQ-UHFFFAOYSA-N	292.788	1.075	10	20	CDCD	
COCCN1CCN(Cc2cc(Cl)ccc2O)CC1	122997862	LXBZKTHZMNSKTN-UHFFFAOYSA-N	284.787	1.810	10	20	CDCD	
CC(C)[C@@H](CO)NC(=O)NCc1ccc(N(C)C)c(F)c1	78917936	BYTZEYUJUBFUBC-CYBMUJFWSA-N	297.374	1.708	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)NCCc1cnn(C)c1	46993376	UAMIHMIKRIRIJH-UHFFFAOYSA-N	288.351	1.510	10	20	CDCD	
CCN(CC)C(=O)CCC(=O)NCc1ccccc1O	88348265	TYCLJIXDAVSHON-UHFFFAOYSA-N	278.352	1.657	10	20	CDCD	
CCn1ccnc(NCc2cccc(OC)c2O)c1=O	91009865	MFGUMCZWHWWDQO-UHFFFAOYSA-N	275.308	1.590	10	20	CDCD	
COc1cccc(CNC(=O)NCc2cccnc2)c1O	97595843	YBKGDCLNTCOIJF-UHFFFAOYSA-N	287.319	1.795	10	20	CDCD	
C[C@@]1(C(=O)NCCc2ccc(N)cc2)CCCCN1	237503118	IWLFJSSUCCAZQP-HNNXBMFYSA-N	261.369	1.460	10	20	CDCD	
NC(=O)[C@H]1CCN(Cc2cccc(Cl)c2O)C1	183449639	IXRIONZOJFTGKB-VIFPVBQESA-N	254.717	1.353	10	20	CDCD	
CCNC(=O)[C@H](C)N[C@H](C)c1ccc(F)c(F)c1O	276145050	CXVJVJNPRVKORC-SFYZADRCSA-N	272.295	1.846	10	20	CDCD	
CC(=O)C(=O)CSc1n[nH]c(-c2cccnc2)n1	808023162	XSFIVPSDDFKEIA-UHFFFAOYSA-N	262.294	1.117	10	20	CDCD	
CC(=O)C(=O)COc1c(Cl)cccc1[N+](=O)[O-]	808024369	IURIFSYJORSUJL-UHFFFAOYSA-N	257.629	1.785	10	20	CDCD	
CC(C)N(C)C(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	807676903	JGPOKHOOAAKEIH-GFCCVEGCSA-N	291.395	1.797	10	20	CDCD	
CN1CN(Cc2cc(Cl)c(F)cc2O)CC1=O	816566233	PCTFVNZAZURHKX-UHFFFAOYSA-N	258.680	1.416	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)C[C@H]1CCOC1	819755993	PFWBQZGVHUHRAC-LLVKDONJSA-N	284.352	1.921	10	20	CDCD	
C[C@H]1CN(C(=O)COc2ccc(N(C)C)cc2)CCO1	810001127	XYTIKWQWVGJPDB-LBPRGKRZSA-N	278.352	1.379	10	20	CDCD	
COC[C@@H](C)N1C(=O)CN(Cc2ccccc2O)C1=O	819165706	CMYFVBUBQSDLJS-SNVBAGLBSA-N	278.308	1.191	10	20	CDCD	
O=C(NCc1ccccc1O)NOC/C=C/Cl	811982672	XMDBGEHNJBAHOJ-ZZXKWVIFSA-N	256.689	1.876	10	20	CDCD	
CCCNCCN[C@@H](C)c1cc(C(=O)OC)ccc1O	817963709	XGTFLSFJAQQVLM-NSHDSACASA-N	280.368	1.829	10	20	CDCD	
O=C(c1c(F)ccc(O)c1O)N1CCC[C@H](CCO)C1	827378372	PAJDXZRKVYTFGU-SECBINFHSA-N	283.299	1.472	10	20	CDCD	
COC(=O)[C@@H]1CCC[C@@H]1NCc1cc(F)ccc1O	824701999	GCTHBYBXNGEXDD-NEPJUHHUSA-N	267.300	1.963	10	20	CDCD	
Cn1nnnc1CN(Cc1ccco1)Cc1ccccc1O	732202522	UWOPBGBHKRKUJS-UHFFFAOYSA-N	299.334	1.711	10	20	CDCD	
COC[C@@H]1CN(C(=O)Cc2ccc(N)cc2)C[C@H](C)O1	832002118	BOUSWSOLKLYSSE-FZMZJTMJSA-N	278.352	1.074	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1CCC(O)(CN)CC1	841107327	GEUBUXQMBKXPAU-UHFFFAOYSA-N	277.412	1.347	10	20	CDCD	
CCOc1cccc(CNC[C@@]2(COC)CCCN2)c1O	841067213	KSBJTKGVIORROR-MRXNPFEDSA-N	294.395	1.649	10	20	CDCD	
CC1(C)CNCC[C@@H]1NCc1cc2c(cc1O)OCO2	841073055	PJYUOJSBZJTBLU-AWEZNQCLSA-N	278.352	1.599	10	20	CDCD	
Nc1ccc(Cc2nc(-c3n[nH]c(C4CC4)n3)no2)cc1	843238885	VNBVSLOJOGJTTG-UHFFFAOYSA-N	282.307	1.905	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CC[C@@H]3NCC[C@@H]3C2)c1O	843385984	GJGSTYYHBCFERE-ABAIWWIYSA-N	292.354	1.918	10	20	CDCD	
C[C@H]1CCC[C@@H]1NC(=O)C(=O)Nc1ccc(N)cc1	841028269	ADLCWTRAJIRCEQ-CABZTGNLSA-N	261.325	1.512	10	20	CDCD	
CNCCNCc1cc(Br)cc(OC)c1O	841034839	FXSZNIOJFSCHJD-UHFFFAOYSA-N	289.173	1.472	10	20	CDCD	
CCOCc1cc(CNCC(=O)NOCC)ccc1OC	846089828	XAGUEYRBIFNGFO-UHFFFAOYSA-N	296.367	1.389	10	20	CDCD	
C[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(N)cc2)C1	841011006	ZNCBILLAPXDNLK-SNVBAGLBSA-N	261.325	1.466	10	20	CDCD	
CC(=O)NCCN(C)Cc1c(O)ccc2ccncc12	842631606	PNQYUFKXPNWDFT-UHFFFAOYSA-N	273.336	1.508	10	20	CDCD	
C[C@@H](NCc1ccc2c(c1)CCO2)c1cc(CO)on1	924901166	QHVVBKZQSCSRTN-SNVBAGLBSA-N	274.320	1.953	10	20	CDCD	
CC(C)CCC[C@@H](C)NC=C1C(=O)N(C)C(=O)N(C)C1=O	920976726	QNPGNZYLSMKLGK-LLVKDONJSA-N	295.383	1.725	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2[C@H]3CC[C@H]2CNC3)c1O	852761438	MTASJHZLXHIVTM-STQMWFEESA-N	278.327	1.670	10	20	CDCD	
Cc1ccc(CNC[C@@H]2CN(C)CCN2C)c(O)c1	877031119	NEGRPOAVLVIZNS-CQSZACIVSA-N	263.385	1.036	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)CS(=O)(=O)C(C)C)c1	862758544	CMPUGFIGCLULOC-UHFFFAOYSA-N	285.365	1.140	10	20	CDCD	
COc1cc(O)c(CN2C[C@H]3COC[C@H]3C2)cc1OC	872266822	MQAWLSFRXYAGGG-TXEJJXNPSA-N	279.336	1.488	10	20	CDCD	
COc1ccc(O)c(CN2CCCC[C@H]2CNC(C)=O)c1	877676280	ZTRRYHHHBXCHPH-AWEZNQCLSA-N	292.379	1.891	10	20	CDCD	
C[C@H](NC(=O)[C@H](C)n1cncn1)c1ccc(N(C)C)cc1	773008613	HNBZUFRNYAPPJD-RYUDHWBXSA-N	287.367	1.783	10	20	CDCD	
COc1cccc(O)c1CN1CCNC(=O)[C@H]1CC(C)C	783728685	QOCYCXCJSIFHLK-CYBMUJFWSA-N	292.379	1.747	10	20	CDCD	
O=C1CCCN1C1CN(Cc2cc(Cl)cc(F)c2O)C1	897784650	WNOHAIVJVSQWEF-UHFFFAOYSA-N	298.745	1.991	10	20	CDCD	
Cc1ccc(C(=O)NCCc2ccon2)c(O)c1O	780996172	ZSNNEBLODORTCP-UHFFFAOYSA-N	262.265	1.367	10	20	CDCD	
COc1ccc(CNC[C@]2(O)CCO[C@@H]2C)c(O)c1OC	894118102	LDGSBUCIKCKOQY-MEBBXXQBSA-N	297.351	1.039	10	20	CDCD	
COc1ccc(CNC[C@H](C)C[C@@H](C)O)c(O)c1OC	893043101	SUMQZDOCRVPOJP-GHMZBOCLSA-N	283.368	1.906	10	20	CDCD	
COc1cc(C)cc(CNC[C@@H]2CC[C@H](O)C2)c1O	894541532	RRCHUNLQPGKVHJ-YPMHNXCESA-N	265.353	1.960	10	20	CDCD	
O=S(=O)(NCc1ccc(N2CCCC2)cc1)N1CCC1	795789977	MXXPOBNOWLPMEY-UHFFFAOYSA-N	295.408	1.327	10	20	CDCD	
COc1ccc(CNS(=O)(=O)c2ccoc2)c(O)c1	795964593	VRIDUBAJDKOMBJ-UHFFFAOYSA-N	283.305	1.472	10	20	CDCD	
COc1cc(CN2CC[C@@H](S(C)(=O)=O)C2)c(O)cc1C	799951361	UMFJKWPUFMEQJM-GFCCVEGCSA-N	299.392	1.328	10	20	CDCD	
CCc1cccc(CN[C@H]2CC(=O)N(CC)C2)c1O	691444356	IKYZJFWCDDUEGR-ZDUSSCGKSA-N	262.353	1.665	10	20	CDCD	
C[C@@H](NC[C@]1(O)CCN(C)C1)c1ccccc1O	702572712	IKZNFFOATRQMCV-BXUZGUMPSA-N	250.342	1.109	10	20	CDCD	
COc1ccc(O)c(CNCC2(C(=O)O)CCOCC2)c1	1326500631	GMDYICLUTLTMMY-UHFFFAOYSA-N	295.335	1.372	10	20	CDCD	
Oc1c(F)cc(F)cc1CN[C@H]1CCN(C2CC2)C1	708495626	ZVOXXGKFCNIFCU-NSHDSACASA-N	268.307	1.997	10	20	CDCD	
CC(C)[C@H](N)CNC(=O)NCc1ccc(N)cc1	1336118331	YKBKCLSEGZRPOY-GFCCVEGCSA-N	250.346	1.051	10	20	CDCD	
COc1ccc(CNCC(C)(C)S(C)(=O)=O)cc1C	93523028	XTXJKKGDFADEPJ-UHFFFAOYSA-N	285.409	1.916	10	20	CDCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NCCN1CC[C@@H](O)C1	1261791741	ZKTYLNVPKDJFLH-MCIONIFRSA-N	290.407	1.905	10	20	CDCD	
C[C@H]1CCCN(C(=O)C(=O)NCc2ccc(N)cc2)C1	1346210438	RIIFGCHJRZRISN-NSHDSACASA-N	275.352	1.144	10	20	CDCD	
O=C(CC[C@H]1CCCO1)NCc1cccc(O)c1O	1528771679	UGXGWKKDEDVTOZ-LLVKDONJSA-N	265.309	1.673	10	20	CDCD	
C[C@@H]1CN(C(=O)c2c(F)ccc(O)c2O)CC[C@H]1C(=O)O	1603451374	VHAMURMUSUTHFD-HTQZYQBOSA-N	297.282	1.420	10	20	CDCD	
C[C@@H](NCCOCCF)c1cc(C(=O)O)ccc1O	1604341592	QUKPMNYOBGGDHV-SECBINFHSA-N	271.288	1.727	10	20	CDCD	
Cc1cc(O)c(CN2C[C@@H](C(=O)O)C[C@@H](O)C2)c(Cl)c1	1600286285	NYHDTQVBLLFICS-VHSXEESVSA-N	299.754	1.621	10	20	CDCD	
COc1ccn2c(C(=O)NCc3ccc(N)cc3)cnc2c1	1579316901	BFCWOGRQIYLOOF-UHFFFAOYSA-N	296.330	1.855	10	20	CDCD	
COc1cc(C)cc(CN(C)CCC(=O)O)c1O	1594054546	UKRJNMLOJLQWFS-UHFFFAOYSA-N	253.298	1.616	10	20	CDCD	
CC[C@H](NC[C@H](O)CC)c1cccc(-c2nn[nH]n2)c1O	1590465913	HTUBPHMDKKDHON-SKDRFNHKSA-N	291.355	1.384	10	20	CDCD	
CCN1C[C@@H](N[C@H](C)c2ccc(F)cc2O)CC1=O	391544136	OHQJWBDMNJYAIX-KOLCDFICSA-N	266.316	1.803	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CCOC2)c1	103529167	TXEHFDQBSYKDJI-ZJUUUORDSA-N	265.309	1.615	10	20	CDCD	
COc1ccc(O)c(CNc2nc(C)nc3c2cnn3C)c1	172241500	PCNGELMHLKYGNI-UHFFFAOYSA-N	299.334	1.998	10	20	CDCD	
COc1ccc(O)c(CNCCN2CCCC2)c1	20127096	QIHPOCASINPTBY-UHFFFAOYSA-N	250.342	1.586	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@H]2CCCOC2)cc1F	170798017	KMCQRXYTCKSPFB-LBPRGKRZSA-N	280.343	1.935	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc[nH]1	183483621	VYKYUXKEVUUDRW-VIFPVBQESA-N	260.293	1.787	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)C1(O)Cc2ccccc2C1	120282947	XQZYOKPYRUTBQB-UHFFFAOYSA-N	297.354	1.881	10	20	CDCD	
CC1(C)[C@@H](NC(=O)c2cccc(O)c2O)[C@H]2CCO[C@@H]21	187120632	HPKCZNQICSJULN-ICCXJUOJSA-N	277.320	1.641	10	20	CDCD	
COC(=O)N1CC(N[C@@H](C)c2cc(OC)ccc2O)C1	186137409	REFHJNCIYLCQRH-VIFPVBQESA-N	280.324	1.502	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CCn3cnnc3C2)c1O	81537276	XUUCNDPNFQSIOH-UHFFFAOYSA-N	290.298	1.341	10	20	CDCD	
CC(C)CNC(=O)c1cc(NS(C)(=O)=O)ccc1O	48923536	PDRQSZFBOIVEFO-UHFFFAOYSA-N	286.353	1.150	10	20	CDCD	
CCC[C@H]1C(=O)NCCN1Cc1cc(C)ccc1O	93771764	WYGCTPBDNXZFKT-ZDUSSCGKSA-N	262.353	1.801	10	20	CDCD	
COc1cccc(CN2CC[C@@H](C(=O)O)[C@@H]2C)c1O	92943100	OCWCSNIIXNMKJO-GXSJLCMTSA-N	265.309	1.696	10	20	CDCD	
COc1cccc(CNCC[C@@H]2CCOC2)c1O	230164695	DOGOSUSHOCTVJD-LLVKDONJSA-N	251.326	1.917	10	20	CDCD	
COc1ccc(N2CCN(Cc3nccn3C)CC2)cc1	248149947	SZHPEEUSWXEDHP-UHFFFAOYSA-N	286.379	1.751	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNC[C@H]2CC[C@H](O)C2)c1O	278126466	BPAOHCPWFLGTKT-ONGXEEELSA-N	296.323	1.560	10	20	CDCD	
CCOc1ccc(O)c([C@H]2NC(=O)[C@H]3CSCCN32)c1	270815701	QVAKDRYTNWTNNO-YPMHNXCESA-N	294.376	1.337	10	20	CDCD	
Cc1ccc(C(=O)N[C@H]2CC(=O)N(C(C)C)C2)c(O)c1O	272869592	WBJUTWCQHCLKDO-JTQLQIEISA-N	292.335	1.145	10	20	CDCD	
C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)[C@H]1CCOC1	272654001	NLWLGJSXMKOLOV-PEWKINPCSA-N	277.320	1.652	10	20	CDCD	
O=C(NCC1CCN(C2CC2)CC1)c1cccc(O)c1O	278304933	BJQRQHIHONCGEC-UHFFFAOYSA-N	290.363	1.702	10	20	CDCD	
C[C@H]1C[C@H](C(=O)NCc2ccc(O)c(O)c2)CCO1	272199986	AKVROFQGSUJOGR-GXSJLCMTSA-N	265.309	1.529	10	20	CDCD	
COCCn1cc(CNCc2cccc(OC)c2O)cn1	281918861	GSNBJQMPAALRPQ-UHFFFAOYSA-N	291.351	1.534	10	20	CDCD	
CN1[C@H]2CC[C@H]1CC(NC(=O)c1c(F)ccc(O)c1O)C2	298507654	UAHQLKVBJOTHHB-UWVGGRQHSA-N	294.326	1.592	10	20	CDCD	
COCCCN(C)CCN[C@@H]1CCc2cccc(O)c21	297710211	MTLQTQHEWGYJBQ-CQSZACIVSA-N	278.396	1.937	10	20	CDCD	
Cc1ncc(COC(=O)c2ccc(C)c(O)c2O)cn1	803329021	YQZNZIRWHKZQPJ-UHFFFAOYSA-N	274.276	1.862	10	20	CDCD	
C[C@@H](N[C@@H](CN)C1CC1)c1cc([N+](=O)[O-])ccc1O	817958997	AAYPOQRHEJPFCW-PELKAZGASA-N	265.313	1.688	10	20	CDCD	
Cc1cccc(CN[C@H]2CCc3nnnn3CC2)c1O	817419194	QTRSVXUANXZGQH-LBPRGKRZSA-N	273.340	1.182	10	20	CDCD	
CC[C@H](CS(=O)(=O)Nc1ccc(O)c(C)c1)OC	817356936	ZFSFWBRVRQDDMV-LLVKDONJSA-N	273.354	1.867	10	20	CDCD	
CC1(CCNC(=O)c2c(F)ccc(O)c2O)OCCO1	828435957	QLKQWQNCPKGJKZ-UHFFFAOYSA-N	285.271	1.120	10	20	CDCD	
CN(C)c1ccc([C@@H](N)CNC(=O)[C@]2(C)CC2(F)F)cc1	832267332	QPFBSWQRKSSFMP-JSGCOSHPSA-N	297.349	1.914	10	20	CDCD	
CNCCC(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1	831748491	DIHDETDMSBMOBW-ZDUSSCGKSA-N	291.395	1.247	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1cc[n+]([O-])cc1	734402557	LYYWBGMRNSRTIZ-UHFFFAOYSA-N	285.347	1.624	10	20	CDCD	
C[C@@H]1CCCN1S(=O)(=O)Nc1ccc(O)c(F)c1F	830184472	HWDOUOCUMAHEGY-SSDOTTSWSA-N	292.307	1.811	10	20	CDCD	
COc1ccc(CNC(=O)[C@@H]2CC23CCNCC3)c(O)c1	832178424	RBZVVTXTEPQGSK-ZDUSSCGKSA-N	290.363	1.407	10	20	CDCD	
CCCN(C)C(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1	839220210	DPWHGDGLCPMVAP-UHFFFAOYSA-N	291.395	1.579	10	20	CDCD	
C[C@@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)C[C@H]1C(=O)O	833617882	IKIIBBBFQAJKFZ-DREQKGALSA-N	291.303	1.290	10	20	CDCD	
CC(C)CN1CCN(C(=O)Nc2ccc(N)cc2)CC1=O	841296230	RCAIMWNFJVDDLU-UHFFFAOYSA-N	290.367	1.601	10	20	CDCD	
COc1cc(C)cc(CN2C[C@@H]3CCN(C)[C@@H]3C2)c1O	840134560	XXRYWGYSCKOGTR-GXTWGEPZSA-N	276.380	1.845	10	20	CDCD	
CN[C@@H]1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2O)C1	843045199	PAIOWJANQKLMQF-SNVBAGLBSA-N	285.731	1.748	10	20	CDCD	
CC1=NN(C2=NS(=O)(=O)c3ccccc32)C(=O)CC1	917348409	YFJHRRZVGHCSED-UHFFFAOYSA-N	277.305	1.134	10	20	CDCD	
CN(C)c1ccc([C@H](N)CNC(=O)C2CC=CC2)cc1	844163054	USXCHCWUELXWJX-OAHLLOKOSA-N	273.380	1.835	10	20	CDCD	
Cc1ccc(O)c(CN[C@H](CO)[C@H]2CCCOC2)c1	840964182	YPMCEIOSKCZTRX-GXTWGEPZSA-N	265.353	1.578	10	20	CDCD	
CCCS(=O)(=O)NC[C@H](N)c1ccc(N(C)C)cc1	842786143	ZWTWLHRJZVKWJM-ZDUSSCGKSA-N	285.413	1.082	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCN(C[C@@H]2CCOC2)CC1	754455672	XNZDBVVQJHNTOO-NSHDSACASA-N	296.392	1.248	10	20	CDCD	
CO[C@@H]1COC[C@@H]1N[C@@H](C)c1ccc(N(C)C)cc1	840825605	YAGWUWOGRSEZBI-TUKIKUTGSA-N	264.369	1.817	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)CCc2cncnc2)c1	862755864	LSAMTNLZBVNTNT-UHFFFAOYSA-N	271.320	1.740	10	20	CDCD	
COc1cccc(CN(C)CC2(O)CCC2)c1O	761220773	XOPKGDXHQJVKEO-UHFFFAOYSA-N	251.326	1.748	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@@H]2CCCC23OCCO3)c1	862755098	CPJMGDZRJNDBGU-ZDUSSCGKSA-N	291.347	1.860	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)/C=C\CN1CCOCC1	866596975	MEFVGOLAJDESGH-DAXSKMNVSA-N	290.363	1.239	10	20	CDCD	
Cc1ccn(C[C@H](C)C(=O)NCCc2ccc(N)cc2)n1	867964244	WBWJJUKCYBTNRC-LBPRGKRZSA-N	286.379	1.769	10	20	CDCD	
CC(=O)NC[C@@H]1CCCCN1C(=O)c1cccc(O)c1O	863814007	UKEQOEZBGZXREK-NSHDSACASA-N	292.335	1.229	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cn(C)nc1C	935947066	RVXFFBOVNRNPSE-UHFFFAOYSA-N	294.351	1.850	10	20	CDCD	
Cn1nc2c(c1C(=O)NCc1ccccc1O)CCCC2	767927116	NUPIFUINWGOJJG-UHFFFAOYSA-N	285.347	1.935	10	20	CDCD	
CN(Cc1cc2c(cc1O)OC[C@H]2O)C[C@H]1CCCOC1	768453586	ZCLPKCMGFKVOBJ-IAQYHMDHSA-N	293.363	1.676	10	20	CDCD	
COC(=O)C[C@@H]1CN(Cc2ccc(C)cc2O)CCO1	876746000	HVLLFZOQUCGXLW-CYBMUJFWSA-N	279.336	1.465	10	20	CDCD	
CCOC(=O)[C@@](C)(O)CN[C@H](C)c1cc(OC)ccc1O	771765625	CMKLXXSKKLWXIT-BMIGLBTASA-N	297.351	1.366	10	20	CDCD	
Cc1cc(O)c(CN2CCC(CO)(CO)CC2)cc1C	877797634	MZBGMXRRXZIEAB-UHFFFAOYSA-N	279.380	1.576	10	20	CDCD	
C[C@H](NC[C@]1(O)CCO[C@H]1C)c1c(O)cccc1F	886603568	QUBRPJGIPBHDBE-PKFCDNJMSA-N	269.316	1.722	10	20	CDCD	
CN(C)c1ccc([C@H](CNC(=O)[C@H]2C[C@H]2F)N(C)C)cc1	1121170464	HIYSSAGVYFAYCK-ZNMIVQPWSA-N	293.386	1.830	10	20	CDCD	
COc1ccc(CNC[C@@H]2CC(C)=NO2)c(O)c1OC	895429725	TWYUMBQGUYTMIU-NSHDSACASA-N	280.324	1.664	10	20	CDCD	
CCOc1ccc(CN2CC(COC)C2)c(O)c1	895971384	OZGHFNJDLUMVQU-UHFFFAOYSA-N	251.326	1.869	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)COCc1ccncc1	1323533023	ILNYJJDFWYOJJW-UHFFFAOYSA-N	286.331	1.962	10	20	CDCD	
Nc1ccc(CC(=O)NC[C@H]2CCCC[C@H]2O)cc1	85961787	HPZPMVRPCVVVDQ-TZMCWYRMSA-N	262.353	1.479	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)C[C@@H]1C=CS(=O)(=O)C1	1330810633	XCEOOTFIOXHSMS-NSHDSACASA-N	295.360	1.299	10	20	CDCD	
O=C(O)c1cnoc1COC(=O)c1cccc(O)c1O	1602546292	ORVJGAFZRVYRNG-UHFFFAOYSA-N	279.204	1.141	10	20	CDCD	
COc1cc(O)c(CNCC2(C(=O)O)CC2)cc1OC	1610303991	FOBAHPISMSPOQY-UHFFFAOYSA-N	281.308	1.364	10	20	CDCD	
CN(Cc1cnn[nH]1)Cc1cc(F)cc(F)c1O	1576862100	ITYRZXHGCKRXFR-UHFFFAOYSA-N	254.240	1.421	10	20	CDCD	
NC(=O)[C@H](F)C1CCN(Cc2ccc(N)cc2)CC1	1580085178	VDIXEFGNVREFDW-CYBMUJFWSA-N	265.332	1.304	10	20	CDCD	
C[C@H](NCC(F)(F)CO)c1cc(C(=O)O)ccc1O	1593246275	JNPKQQSFBDYKMF-ZETCQYMHSA-N	275.251	1.369	10	20	CDCD	
COc1cccc(O)c1CNCCC(C)(C)CO	824602688	AOYKIODCFODPLJ-UHFFFAOYSA-N	253.342	1.899	10	20	CDCD	
COc1cccc(O)c1CN1CCC[C@H](CN)C1	843047836	YKGUQWSBTKCUKZ-LLVKDONJSA-N	250.342	1.572	10	20	CDCD	
Cn1cnc(CNCc2ccc(N3CCCC3)cc2)n1	218952512	WKHDKPQNCPMKSM-UHFFFAOYSA-N	271.368	1.705	10	20	CDCD	
COc1ccc(CNC[C@@]2(O)CCO[C@@H]2C)cc1C	227974358	OOONTUDXISDCTJ-DOMZBBRYSA-N	265.353	1.633	10	20	CDCD	
O=C(NCCOc1ccccc1)c1cccc(O)c1O	126347235	OYSNDDQCTJTRPZ-UHFFFAOYSA-N	273.288	1.907	10	20	CDCD	
C[C@H](CCN(C)C)NCc1cc2c(cc1O)OCO2	42880543	VKDANNZQUXSTAG-SNVBAGLBSA-N	266.341	1.551	10	20	CDCD	
COc1ccc(N2CCN(C(=O)C(C)(C)N)CC2)cc1	40920198	UJMGXSNNBRHCCQ-UHFFFAOYSA-N	277.368	1.081	10	20	CDCD	
O=C(NCCC1(O)CCC1)c1cccc(O)c1O	285666342	KHBAWMBMZZDIAB-UHFFFAOYSA-N	251.282	1.133	10	20	CDCD	
CCOc1cccc(CN(C)CCC(=O)NC)c1O	179409656	XUTPIIBHLSBGCX-UHFFFAOYSA-N	266.341	1.359	10	20	CDCD	
CCN(C)C(=O)[C@@H](C)NCc1ccc2c(c1)CCO2	188469891	GRICZDFKISZAKV-LLVKDONJSA-N	262.353	1.578	10	20	CDCD	
Oc1ccc(F)cc1CN1CC[C@H](N2CCNCC2)C1	312241573	KDNDQGOYCOSGRP-AWEZNQCLSA-N	279.359	1.011	10	20	CDCD	
Cc1c(CNCc2cnnn2C)n(C)c2ccccc12	355105616	AVEAIELTYWAAFB-UHFFFAOYSA-N	269.352	1.905	10	20	CDCD	
CN(CCc1nccs1)C(=O)Cc1ccc(N)cc1	708437263	CQWNKSOOOUIEGR-UHFFFAOYSA-N	275.377	1.969	10	20	CDCD	
CCCN(CC(N)=O)Cc1cccc(CC)c1O	821982355	JPPXLRXZHOOEHY-UHFFFAOYSA-N	250.342	1.652	10	20	CDCD	
COc1ccc(N2CCN(C(=O)[C@H]3CCOC3)CC2)cc1	69315266	ZBKLJQMIEGZWAT-ZDUSSCGKSA-N	290.363	1.380	10	20	CDCD	
CCOCc1cc(CNC[C@@]2(O)CCOC2)ccc1OC	179017901	IYZODBQFDOXSKF-INIZCTEOSA-N	295.379	1.473	10	20	CDCD	
C[C@@H](NCc1c(O)cccc1Cl)[C@H]1CN(C)CCO1	129235230	QTOJDDIYJIVVAU-QMTHXVAHSA-N	284.787	1.854	10	20	CDCD	
C[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1CO	189432288	JYBZZJLPNIWSJS-PEWKINPCSA-N	277.320	1.340	10	20	CDCD	
COc1cc(O)c(CN(C)CC[C@@H](C)O)cc1OC	180307708	HMOXOYTZGOSCRF-SNVBAGLBSA-N	269.341	1.612	10	20	CDCD	
Cc1ccc(C(=O)NCCC2CCN(C)CC2)c(O)c1O	182277303	HYHPGKMJWKKTHF-UHFFFAOYSA-N	292.379	1.868	10	20	CDCD	
COC[C@H]1CCN(C(=O)c2cccc(O)c2O)C1	126444674	STXQPIZXTHYJBJ-VIFPVBQESA-N	251.282	1.206	10	20	CDCD	
CC(C)[C@@H](CCO)NC(=O)NCc1ccc(N(C)C)cc1	75502849	VNAJYFYCSCJZOQ-OAHLLOKOSA-N	293.411	1.959	10	20	CDCD	
CC(C)c1cc(C(=O)NCc2ccc(O)c(O)c2)nn1C	182541226	SGMPKEXAALXDTI-UHFFFAOYSA-N	289.335	1.885	10	20	CDCD	
Cc1cc(C(=O)NCc2nc[nH]n2)c(C)n1-c1ccccn1	70824030	AQGNBNIDCOQIGQ-UHFFFAOYSA-N	296.334	1.537	10	20	CDCD	
CNC(=O)CCCC(=O)NCc1ccc(N(C)C)c(F)c1	131114260	QIHUCQOLUHSRDE-UHFFFAOYSA-N	295.358	1.424	10	20	CDCD	
CCc1nnc(Sc2ncc([N+](=O)[O-])s2)[nH]1	195507481	YTPNYHFOIMNEMJ-UHFFFAOYSA-N	257.300	1.883	10	20	CDCD	
CCN(CC)C(=O)CNCc1cccc(OC)c1O	134492681	NAIWLAUDPPFMSN-UHFFFAOYSA-N	266.341	1.359	10	20	CDCD	
CN1C[C@H]2CN(Cc3ccc(N(C)C)cc3)C[C@H]2C1	193599212	OLDNLXUGFAVKKI-GASCZTMLSA-N	259.397	1.746	10	20	CDCD	
CCN(CC)c1ccc(CN(C)CC(C)(CO)CO)cc1	93502895	AQSQZDCCDPKXDP-UHFFFAOYSA-N	294.439	1.956	10	20	CDCD	
C[C@H](NC(=O)NCc1ccccc1O)[C@H]1CCOC1	266631655	WXHLSENXQDUBTM-JQWIXIFHSA-N	264.325	1.616	10	20	CDCD	
COc1cc(O)c(CN2CC([C@@H]3CCOC3)C2)cc1OC	368441473	LKLNDBZDSVNTQH-LLVKDONJSA-N	293.363	1.878	10	20	CDCD	
COC(=O)[C@@]1(C)CCN(C(=O)c2cccc(O)c2O)C1	279074260	DHSOJXCHKNDOPE-AWEZNQCLSA-N	279.292	1.123	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)NCc2cnn(C)c2)c1	273432749	WGTNQWAFQGMLMU-JTQLQIEISA-N	289.335	1.763	10	20	CDCD	
Cc1cc(O)c([C@@H]2NC(=O)[C@H]3CSCCN32)cc1C	270818369	RFGXKJSLJSLOJI-DGCLKSJQSA-N	278.377	1.555	10	20	CDCD	
COC[C@@H](NC(=O)NCc1ccccc1O)[C@@H]1CCCO1	279555245	RSBXQRVOWGCTRU-OCCSQVGLSA-N	294.351	1.385	10	20	CDCD	
C[C@@H]1CCN(Cc2ccccc2O)CC[S@@]1=O	277655738	ORBWSPLDRORWPI-DIFFPNOSSA-N	253.367	1.735	10	20	CDCD	
Cc1ccc(O)c(CN2CC[C@@H]3COC(=O)N[C@H]3C2)c1	281109726	BCWJKYXNPXUEFG-YPMHNXCESA-N	276.336	1.631	10	20	CDCD	
CN(C)c1ccc(CNCCCc2cnn(C)n2)cc1F	293035190	RWJPJQRNVNULMK-UHFFFAOYSA-N	291.374	1.743	10	20	CDCD	
CC(C)OC[C@H](CO)N(C)Cc1cc2c(cc1O)OCO2	809768556	OMUQAXCAKWQIDM-LBPRGKRZSA-N	297.351	1.339	10	20	CDCD	
CN(C)c1ccc(CN[C@@H](C(=O)O)c2ccnn2C)cc1	819164806	VFLMTBQJOKNRAI-CQSZACIVSA-N	288.351	1.402	10	20	CDCD	
O=C1NC(=S)S/C1=C\c1ccccc1-c1nn[nH]n1	826481664	DYUJKZRPNKGSEA-YVMONPNESA-N	289.345	1.356	10	20	CDCD	
C[C@@H]1NCC[C@H]1C(=O)NCc1ccc2c(c1)CCCN2C	827914022	VOWKITAREPJZOG-SWLSCSKDSA-N	287.407	1.683	10	20	CDCD	
Cc1ncc(CN(C)c2ccc(OCC(=O)O)cc2)n1C	902016796	PMHAGFQBDGVNTB-UHFFFAOYSA-N	289.335	1.828	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2nc(C)nn2C)c1	836194538	OQYZLMWTBNAOFV-MRVPVSSYSA-N	290.323	1.329	10	20	CDCD	
COc1ccc(N2CC[C@H](CNCC[N+](=O)[O-])C2)cc1	905289426	IBCDIKBPVKWUHR-GFCCVEGCSA-N	279.340	1.388	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1C[C@H](F)[C@H](F)C1	836819541	OLXCMKALWQOADG-XXIYDDFUSA-N	269.247	1.629	10	20	CDCD	
CCOC(=O)/C(=C\c1cncn1CC)c1nccn1C	901464921	PZKMJETZPDAYER-WQLSENKSSA-N	274.324	1.740	10	20	CDCD	
O=C(OCCCN1CCOC1=O)c1cc(O)cs1	733496709	LVCFCHXPFDHUJO-UHFFFAOYSA-N	271.294	1.453	10	20	CDCD	
NC(=O)COc1ccc(NC(=O)c2cc(O)cs2)cc1	731868290	ATNMDOCJQYGSLQ-UHFFFAOYSA-N	292.316	1.570	10	20	CDCD	
O=C(O)[C@@H](O)C1CCN(Cc2cc(Cl)ccc2O)CC1	833770535	IPJAHKGLPATIFE-ZDUSSCGKSA-N	299.754	1.703	10	20	CDCD	
CO[C@H](C)CCC(=O)NC[C@@H](N)c1ccc(N(C)C)cc1	832285764	UCYHNZRDJYDZIE-IUODEOHRSA-N	293.411	1.684	10	20	CDCD	
Nc1ccc(CCNC(=O)N2CC[C@H](F)C2)cc1	841955565	GVAXUXDBSUBNAC-NSHDSACASA-N	251.305	1.565	10	20	CDCD	
C[C@H](CCN)NCc1cccc(Br)c1O	841051040	MWOVRYPHJNBPIT-MRVPVSSYSA-N	273.174	1.982	10	20	CDCD	
O=[N+]([O-])c1cc(Cl)cc(CN[C@@H]2CCNC2)c1O	841045527	XRVSLLSDQZPREZ-SECBINFHSA-N	271.704	1.405	10	20	CDCD	
c1cc2c(cc1CNCCCN1CCNCC1)CCO2	841031233	ZDXRYYSCPQKKEZ-UHFFFAOYSA-N	275.396	1.006	10	20	CDCD	
NCc1ccc2c(c1)CCCN2Cc1nnc2n1CCOC2	843350388	OEESSBCOGFINLM-UHFFFAOYSA-N	299.378	1.220	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)NCCCN)cc1F	841799336	SMPQJDAQRIAXEJ-UHFFFAOYSA-N	296.390	1.820	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CCNC[C@@H]2C)c1O	843347804	OFOAUKRHSROBPO-VIFPVBQESA-N	266.316	1.528	10	20	CDCD	
COC(=O)[C@@H]1C[C@@H](O)CN(Cc2cccc(Cl)c2O)C1	843434094	HPJNXJDGEWEWJP-GHMZBOCLSA-N	299.754	1.401	10	20	CDCD	
CCOCc1cc(CN[C@H](CO)[C@@H](C)O)ccc1OC	842220949	LDEDBJFCTRTJNL-BXUZGUMPSA-N	283.368	1.063	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN(C[C@H](C)O)C2CC2)c1O	848928768	NGLGGYUVYDZGEQ-VIFPVBQESA-N	296.323	1.654	10	20	CDCD	
COc1cccc(CNC(=O)N[C@@H](CN)CC(C)C)c1O	841951004	KXMZOKXBJHREDB-GFCCVEGCSA-N	295.383	1.573	10	20	CDCD	
CCCCNC(=O)Cc1noc(Cc2ccc(N)cc2)n1	842567782	DLVNCGPCFBPXNR-UHFFFAOYSA-N	288.351	1.701	10	20	CDCD	
c1cc(N2CCOCC2)ccc1CNCC[C@H]1CCNC1	841037356	OFAMRAQZQPRCEQ-INIZCTEOSA-N	289.423	1.612	10	20	CDCD	
COC(C)(C)CNC(=O)NCCc1ccc(N)cc1	841840827	KRIXYADTNLMWFI-UHFFFAOYSA-N	265.357	1.536	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)NC[C@H](C)CN	841825747	CQJBPKJYFBJBJP-LLVKDONJSA-N	278.400	1.455	10	20	CDCD	
CCCN1CCCN(C(=O)Nc2ccc(N)cc2)CC1=O	841294450	CKMQCBMBKRNNLV-UHFFFAOYSA-N	290.367	1.745	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)N[C@H](C)C[S@@](C)=O)c1	858358283	NQCJOAHEIIZRHG-GIGQVBGESA-N	284.381	1.267	10	20	CDCD	
Cc1ccc(C(=O)N2CCC[C@@]2(C)CO)c(O)c1O	760096942	WGMAKOBIUYWQAM-AWEZNQCLSA-N	265.309	1.393	10	20	CDCD	
Cc1cccc(O)c1CNC[C@]1(O)CCO[C@H]1C	877489941	RCOSPYBTVVEHNL-SMDDNHRTSA-N	251.326	1.330	10	20	CDCD	
CCN(CCN)C(=O)NCc1ccc(N(C)C)cc1	861550091	XPVREKOIWGXWMV-UHFFFAOYSA-N	264.373	1.243	10	20	CDCD	
COc1ccc(N(C)CCN(C)C(=O)CCCCO)cc1	869142613	IGARLKOTKCIRJU-UHFFFAOYSA-N	294.395	1.752	10	20	CDCD	
O=C1CN(Cc2c(O)cccc2Cl)CCCN1	769116868	WNJKLWSSWCVUKF-UHFFFAOYSA-N	254.717	1.368	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@]2(F)CCOC2)cc1	1117525550	JXHJEDHLEBXJTF-CQSZACIVSA-N	266.316	1.497	10	20	CDCD	
CCN(C)c1ccc(CN2C[C@@H](O)C[C@@]2(C)CO)cc1	878983901	OEEXECLFYZPGNG-HOTGVXAUSA-N	278.396	1.460	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N2CCC[C@@H]2CCO)cc1	778261543	NJXPIOKLKNTNJD-OAHLLOKOSA-N	291.395	1.809	10	20	CDCD	
Cn1nc(C(=O)O)cc1CNCc1ccc2c(c1)CCO2	874040025	CZSQBKLFTMNRRK-UHFFFAOYSA-N	287.319	1.343	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)CO[C@H]2CCOC2)c1	1118886338	DHYCQILLCGHPAP-LBPRGKRZSA-N	265.309	1.122	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)NCCn1cccc1	779526205	QJKYKEAOAPTCCI-XQRVVYSFSA-N	272.304	1.729	10	20	CDCD	
COc1cccc(O)c1CN(C)CCCCCO	789763841	QQEKGJUSLZLQGV-UHFFFAOYSA-N	253.342	1.995	10	20	CDCD	
Cc1cnoc1C(=O)OCC(=O)c1ccc(O)c(O)c1	784103386	XVQBDTVHPWKLHE-UHFFFAOYSA-N	277.232	1.434	10	20	CDCD	
COC(=O)CC1(COC(=O)c2cc(O)cs2)CC1	799486974	WYIWFCRKOSVWDJ-UHFFFAOYSA-N	270.306	1.954	10	20	CDCD	
CN(C)[C@]1(CNC(=O)c2cccc(O)c2O)CCSC1	790855309	LDZGLTQMJQLFLT-AWEZNQCLSA-N	296.392	1.265	10	20	CDCD	
CCc1cccc(CN(C)[C@H]2CCN(C)C2=O)c1O	690186625	QSQDQGNBVGUWMS-ZDUSSCGKSA-N	262.353	1.617	10	20	CDCD	
C[C@H]1CN(Cc2cc3c(cc2O)OCO3)[C@H](C)CN1C	775984366	FUSZPIQYURAGBF-WDEREUQCSA-N	278.352	1.645	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@H]2C[C@@H](C(=O)O)C2)cc1F	1263633237	LMNZARXVZZDONR-PHIMTYICSA-N	294.326	1.619	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NC[C@@H](C)C(=O)O)c1	1357173422	PJQNZPXGBUZNRX-SECBINFHSA-N	266.297	1.221	10	20	CDCD	
C[C@H]1[C@@H](C(=O)O)CCN1Cc1cc2c(cc1O)OCO2	1609835556	URXXFIXWXLEXIA-WPRPVWTQSA-N	279.292	1.416	10	20	CDCD	
O=C(O)c1cnc(SCc2cnsn2)s1	1608979223	QBCLJMRATBXESB-UHFFFAOYSA-N	259.337	1.985	10	20	CDCD	
O=C(O)c1ccc(CNC(=O)c2cc(O)cs2)cn1	1602342056	NGFUMSSBBYTJIZ-UHFFFAOYSA-N	278.289	1.477	10	20	CDCD	
CCc1nnc(CN(C)c2ccc(OCC(=O)O)cc2)o1	1597730450	UDWTXYYMMROKAL-UHFFFAOYSA-N	291.307	1.732	10	20	CDCD	
O=C1NC(=S)S/C1=C\c1csc(C(=O)O)c1	1777698971	WGLBKVBCSYBNNF-KTAJNNJTSA-N	271.344	1.935	10	20	CDCD	
COc1ccc(N2CCCN(C(=O)[C@@H](C)N)CC2)cc1	165751109	SNJPVWXPOOXZHS-GFCCVEGCSA-N	277.368	1.081	10	20	CDCD	
COc1cccc(CNC(=O)c2c[nH]c(C)cc2=O)c1O	154428077	DATNRARQPUMSSV-UHFFFAOYSA-N	288.303	1.328	10	20	CDCD	
O=S1(=O)CC[C@@H](CNCc2ccc3c(c2)CCO3)C1	38052027	ZPKWKQVOKTUZAY-LBPRGKRZSA-N	281.377	1.146	10	20	CDCD	
CCCN1CCC(NC(=O)Cc2ccc(N)cc2)CC1	48596070	BQAGZPWBBBFCGC-UHFFFAOYSA-N	275.396	1.802	10	20	CDCD	
CC(C)S(=O)(=O)CCNCc1cc(F)cc(F)c1O	708560356	YXPITIPJANLKGQ-UHFFFAOYSA-N	293.335	1.583	10	20	CDCD	
COc1ccc(O)c(CN[C@@H](CO)CC(F)F)c1	717769589	UKSCOEGWEKWNLF-SECBINFHSA-N	261.268	1.507	10	20	CDCD	
Nc1ccc(CCNC(=O)C2CC(F)(F)C2)cc1	394806865	WXNPTKFSQQQTII-UHFFFAOYSA-N	254.280	1.973	10	20	CDCD	
COc1ccc(CN[C@@H]2COC[C@H]2OC)cc1C	842752491	NEFKPJFHJHWPSA-TZMCWYRMSA-N	251.326	1.507	10	20	CDCD	
CNC(=O)CCN(C)Cc1cc(Cl)ccc1O	179409828	RABFFOTTZLYWIW-UHFFFAOYSA-N	256.733	1.614	10	20	CDCD	
C[C@H](NCCN1C(=O)CNC1=O)c1cc(Cl)ccc1O	185200988	SBQNVAKPPFFDEK-QMMMGPOBSA-N	297.742	1.248	10	20	CDCD	
Cc1nc(C(=O)NCc2ccc(O)c(O)c2)ccc1C#N	182530207	MPDGZPMCZNUCGA-UHFFFAOYSA-N	283.287	1.603	10	20	CDCD	
C[C@@H](O)[C@@H]1CCN(C(=O)NCc2ccc(N(C)C)cc2)C1	181325598	LQZSAXOXGVGOAQ-TZMCWYRMSA-N	291.395	1.665	10	20	CDCD	
CN(C)c1ccc(CNC2CCS(=O)CC2)cc1	42336099	YZPSYNPKOIWQRI-UHFFFAOYSA-N	266.410	1.753	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2Cc1cnn(C)n1	289399286	SJEYWVYIQUZTAZ-UHFFFAOYSA-N	273.340	1.280	10	20	CDCD	
CCN(Cc1cccc(C)c1O)[C@@H](C)CS(C)(=O)=O	180243950	IZXOPVXHNNFNNG-LBPRGKRZSA-N	285.409	1.956	10	20	CDCD	
C[C@@H](CCN(C)C)NC(=O)NCc1ccccc1O	263686825	FVBSUFFARIHPLV-NSHDSACASA-N	265.357	1.532	10	20	CDCD	
COC(=O)[C@@H]1CN(C(=O)c2ccc(C)c(O)c2O)C[C@H]1C	279996246	RBSYBVORRFPDBB-MWLCHTKSSA-N	293.319	1.287	10	20	CDCD	
Cc1ncc(C(=O)NCc2ccc(N(C)C)cc2C)c(N)n1	827955578	JOCLZTFUMXUXNI-UHFFFAOYSA-N	299.378	1.672	10	20	CDCD	
CCOC(=O)[C@@H]1C[C@H]1C(=O)NCc1cc(C)ccc1O	827165971	DEDDULDEFLGHPR-VXGBXAGGSA-N	277.320	1.516	10	20	CDCD	
COc1cc2c(c(OC)c1)N(CC[S@](C)=O)CCC2	839656814	TWBODLXOITVSQM-IBGZPJMESA-N	283.393	1.835	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C[C@H](N)CC(F)F	903906323	VLRMXBNTDPZKHE-SNVBAGLBSA-N	285.338	1.934	10	20	CDCD	
CCC(=O)[C@@H]1CCCN1C(=O)c1ccc(C)c(O)c1O	909352894	KMQWMLDUFGAYOL-NSHDSACASA-N	277.320	1.990	10	20	CDCD	
C[C@H](N[C@H]1COC[C@H]1C)c1cc([N+](=O)[O-])ccc1O	903394562	DFECEXMRSWCEIH-PTRXPTGYSA-N	266.297	1.986	10	20	CDCD	
CCc1cccc(CNCC(C)(C)S(C)(=O)=O)c1O	691454523	PHKFQNHSJBUUOZ-UHFFFAOYSA-N	285.409	1.867	10	20	CDCD	
COC(=O)C1(NC(=O)c2cc(O)cs2)CCC1	830749341	VQZUWYYOMCKMES-UHFFFAOYSA-N	255.295	1.279	10	20	CDCD	
C[C@@H]1[C@@H](C)[S@](=O)CCN1C(=O)c1cc(O)cs1	736725616	WLEQXDNTBKOBER-GMJGCRJXSA-N	273.379	1.435	10	20	CDCD	
O=C(NCC12CCCN1CCC2)c1cc(O)cs1	834753113	ZASRRTZFOFBDIM-UHFFFAOYSA-N	266.366	1.812	10	20	CDCD	
O=C1[C@H](NCc2ccccc2O)C[C@@H]2CCCCN12	835075699	ZOUIASPWPMMKFI-QWHCGFSZSA-N	260.337	1.635	10	20	CDCD	
CCO[C@@H]1COC[C@H]1NC(=O)N(C)Cc1ccccc1O	838719297	LTRBCXHOPVRYTK-TZMCWYRMSA-N	294.351	1.338	10	20	CDCD	
Oc1cc2c(cc1CN1CC[C@@H]3NCC[C@H]3C1)OCO2	843128933	ZRLQEBLDJUZNLA-JQWIXIFHSA-N	276.336	1.305	10	20	CDCD	
CCCNC(=O)CCCOC(=O)c1cc(O)cs1	840227506	DBETWLLPZVBLMS-UHFFFAOYSA-N	271.338	1.917	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN[C@@H](C)[C@H]1CN(C)CCO1	840935878	DIRFJLWZPQIGMD-WMLDXEAASA-N	291.439	1.870	10	20	CDCD	
CN1CCN(c2ccc(CN(C)CC(C)(C)N)cc2)CC1	849349700	FGYRRHXBBIDIFU-UHFFFAOYSA-N	290.455	1.608	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CCC[C@@H](CN)C2)c1O	843347921	YEDILQGCUQDQCX-NSHDSACASA-N	280.343	1.905	10	20	CDCD	
CCCN1CC(=O)N[C@H]1c1cc(Cl)cc(OC)c1O	840825701	ZRNZJMYNTIXXGM-CYBMUJFWSA-N	284.743	1.895	10	20	CDCD	
O=C(NCc1ccccc1O)c1ccc([N+](=O)[O-])c(O)c1	748350428	RPGLIQNEXXRXAY-UHFFFAOYSA-N	288.259	1.936	10	20	CDCD	
CC(C)(C)[C@@H](O)Cc1cn(-c2ccc(N)cc2)nn1	849134749	NYQGFSXPOFRYLK-ZDUSSCGKSA-N	260.341	1.799	10	20	CDCD	
CCOc1ccc(CN[C@H](CO)CCF)c(O)c1	846097247	OILIPPUDNGBCIC-NSHDSACASA-N	257.305	1.601	10	20	CDCD	
CCNCC(=O)N(C)CCN(C)c1ccc(OC)cc1	846696763	HUPYTOLIPHADBW-UHFFFAOYSA-N	279.384	1.199	10	20	CDCD	
C[C@H](NCCO[C@@H]1CCOC1)c1c(O)cccc1F	927076821	BBTKYUSPZDLPJH-WDEREUQCSA-N	269.316	1.987	10	20	CDCD	
CN(C)c1ccc(CNCCc2cncn2C)cc1F	857782757	CNDQSFBPVCXCTF-UHFFFAOYSA-N	276.359	1.958	10	20	CDCD	
CC(=O)N1CC[C@@H](NCc2cc(Cl)cc(F)c2O)C1	857069230	VBWCNUUHGKREPS-LLVKDONJSA-N	286.734	1.895	10	20	CDCD	
O=C(NCCOCCF)NCc1cc(Cl)ccc1O	852714326	CXQOCHFEZDDIQZ-UHFFFAOYSA-N	290.722	1.831	10	20	CDCD	
C[C@@H](NS(=O)(=O)[C@@H]1CCOC1)c1ccccc1O	867833970	IVFUURPYWBDNDY-NXEZZACHSA-N	271.338	1.162	10	20	CDCD	
CCCOc1ccc(CN[C@H](C)C(N)=O)cc1C	877480899	NKBJPXHKLGZPOE-LLVKDONJSA-N	250.342	1.747	10	20	CDCD	
O=C(NCCCCN1CCC[C@H]1CO)c1cc(O)cs1	765253374	RFDOHBQNHZZWTC-NSHDSACASA-N	298.408	1.420	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)CCc1cnn[nH]1	866601465	NEYJPTOARSKUBE-UHFFFAOYSA-N	288.351	1.882	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2C[C@H](N)C[C@H]2C)c1O	866684439	YVFBBWXHCXSFBF-PRHODGIISA-N	266.316	1.655	10	20	CDCD	
Cc1ccc(CN2C[C@H](N3CCOCC3)C[C@H]2C)c(O)c1	877515973	AICAPHZSZHEQCR-GDBMZVCRSA-N	290.407	1.996	10	20	CDCD	
C[C@](O)(CNC(=O)/C=C\c1ccc(O)c(O)c1)C1CC1	779525081	IIUCLIFVDLREAW-FTWHOSCRSA-N	277.320	1.388	10	20	CDCD	
CC(=O)c1cc(F)cc(Cn2cc([C@@H](C)O)nn2)c1O	880996181	PLHZZASMUNVKAS-MRVPVSSYSA-N	279.271	1.427	10	20	CDCD	
COC(=O)[C@@](C)(NC(=O)c1cccc(O)c1O)C1CC1	776658225	PWXPSIMXLTUBLM-AWEZNQCLSA-N	279.292	1.169	10	20	CDCD	
C[C@H](NC[C@H](O)C1CCOCC1)c1c(O)cccc1F	886550092	SDYXORFMJUQFAA-HZMBPMFUSA-N	283.343	1.969	10	20	CDCD	
CC(=O)CSCC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	787510840	KBWRCLXRTPOLAX-VIFPVBQESA-N	297.376	1.467	10	20	CDCD	
COc1ccc(CN(C2CC2)C2COC2)c(O)c1OC	894659631	XWBNEBUGSFPLIL-UHFFFAOYSA-N	279.336	1.773	10	20	CDCD	
CN(C)c1ccc([C@@H](CNCc2cc[nH]n2)N(C)C)cc1	898450958	GAKWOJUXQRGKRP-MRXNPFEDSA-N	287.411	1.868	10	20	CDCD	
C[C@@H]1NC(=O)[C@H](C)N(Cc2cc3c(cc2O)OCO3)[C@H]1C	895114514	MEMICHWLAMKMLG-GUBZILKMSA-N	292.335	1.218	10	20	CDCD	
C[C@H](NC(=O)N[C@@H]1CCCN[C@@H]1C)c1ccccc1O	892069817	AFZQLFFUFQOAHF-DMDPSCGWSA-N	277.368	1.893	10	20	CDCD	
COc1ccc(CN2CC[C@H](F)C2)c(O)c1OC	894670258	FIEGQHUSUBZNQD-JTQLQIEISA-N	255.289	1.953	10	20	CDCD	
COc1ccc(CNC2(C)COC2)c(O)c1OC	895752631	CBBIOTQHPFUNEH-UHFFFAOYSA-N	253.298	1.288	10	20	CDCD	
COc1cc(C)cc(CN(C)[C@H]2CCCCNC2=O)c1O	893984985	WFGVNGZAQCJILI-ZDUSSCGKSA-N	292.379	1.810	10	20	CDCD	
CC[C@]1(C)CN(Cc2cc3c(cc2O)OC[C@H]3O)CCO1	785513127	CYWJMEBRRZYZJP-GDBMZVCRSA-N	293.363	1.819	10	20	CDCD	
CC[C@H](C)NC(=O)NCc1ccc(OC)cc1O	792761767	HAKKTMPWVRDXDV-VIFPVBQESA-N	252.314	1.999	10	20	CDCD	
COc1ccc(CNC(=O)NC[C@H]2CCCN2C)c(O)c1	792920323	UUKWEAQLWBEYHS-GFCCVEGCSA-N	293.367	1.294	10	20	CDCD	
O=C(c1cccc(O)c1O)N1C[C@H](O)Cc2ccccc21	790157249	RMUPRRMFRMLYMQ-LLVKDONJSA-N	285.299	1.662	10	20	CDCD	
CN1CCN(c2ccc(CNCC(C)(C)N)cc2F)CC1	1325268623	SGGCWEQUFJZWMH-UHFFFAOYSA-N	294.418	1.404	10	20	CDCD	
COc1cccc([C@H](C)NCc2nncn2C)c1O	1328727910	QAHZNXARWFYZQQ-VIFPVBQESA-N	262.313	1.380	10	20	CDCD	
COc1ccc(CNC(=O)c2ccnc(OC)c2)c(O)c1	1325003771	HUDAKIOLPPIBNS-UHFFFAOYSA-N	288.303	1.734	10	20	CDCD	
C[C@@H]1CN(C)C(=O)CN1Cc1ccc(N2CCCC2)cc1	1255474388	RMULTFGQWMJURN-CQSZACIVSA-N	287.407	1.949	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H]2CCOC2)c1	1338564178	ZGLLVXOASVQAPY-QWRGUYRKSA-N	294.351	1.798	10	20	CDCD	
CC[C@@H](NCc1cccc(OC)c1O)C(=O)NC	697861299	YREOOJZKPWRQIQ-SNVBAGLBSA-N	252.314	1.015	10	20	CDCD	
Nc1ccc(CNC(=O)N2CCCC3(C2)OCCO3)cc1	1338793408	OYPVZWYVPFHFTA-UHFFFAOYSA-N	291.351	1.317	10	20	CDCD	
CC(C)(C)C(=O)C(=O)NCc1cccc(O)c1O	1263894567	MFZASWWNDIYHBA-UHFFFAOYSA-N	251.282	1.329	10	20	CDCD	
CSC[C@H](C)C(=O)NCc1cccc(O)c1O	1348045566	DQVXXLWJXNYZRM-QMMMGPOBSA-N	255.339	1.713	10	20	CDCD	
CN(C[C@H]1CCCN1C)C(=O)NCc1ccc(N)cc1	1262603763	UMFALMJUCNOBCX-CQSZACIVSA-N	276.384	1.504	10	20	CDCD	
O=C(NCc1cccc(O)c1O)c1cc(C2CC2)no1	1521851645	OSZCJLRHBDLYHR-UHFFFAOYSA-N	274.276	1.893	10	20	CDCD	
O=C(O)c1cn(CCSc2ncc(Cl)s2)nn1	1602505579	UMKDQRFKCOZIMS-UHFFFAOYSA-N	290.757	1.879	10	20	CDCD	
COc1ccc(O)c(CNCc2cc(C(=O)O)no2)c1	1607277681	NOTRVHRLUAYPRG-UHFFFAOYSA-N	278.264	1.377	10	20	CDCD	
O=C(O)c1cnc(SC[C@H](O)Cn2cccn2)s1	1602536923	HKZQFBGXWIUYNU-SSDOTTSWSA-N	285.350	1.191	10	20	CDCD	
C[C@@H](NC[C@@H](O)C(F)(F)F)c1cc(C(=O)O)ccc1O	1609777727	DTIDJJJALUSETQ-LHLIQPBNSA-N	293.241	1.664	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H]2CC[C@H]3CCN[C@H]2C3)c(O)c1O	1579662031	CFTGBEPUINXMHM-UHTWSYAYSA-N	290.363	1.667	10	20	CDCD	
C[C@@H](NCCn1cccn1)c1cccc(-c2nn[nH]n2)c1O	1589965597	LSBZWJWNPOKCPK-SNVBAGLBSA-N	299.338	1.120	10	20	CDCD	
C[C@@H](CCO)N[C@H](C)c1cc(C(=O)O)ccc1O	1592529378	QDAYWGXEOPSKBQ-DTWKUNHWSA-N	253.298	1.512	10	20	CDCD	
CNC[C@@H](C)N[C@@H](C)c1cc(C(=O)O)ccc1O	1598665805	CFABVDUILUUYDH-BDAKNGLRSA-N	252.314	1.349	10	20	CDCD	
CC1(C(=O)O)CC(NCc2cc([N+](=O)[O-])ccc2O)C1	1776496793	KXAIDKLLBLWRGW-UHFFFAOYSA-N	280.280	1.643	10	20	CDCD	
COc1cccc(CNC(=O)c2c(C)nn(C)c2C)c1O	153581714	WZONQYYRUOIFTL-UHFFFAOYSA-N	289.335	1.681	10	20	CDCD	
CCNC(=O)[C@H](C)NCc1ccc2c(c1)CCCO2	921490767	RCPHMWSWJHERQB-NSHDSACASA-N	262.353	1.626	10	20	CDCD	
COCc1nc(CNC(=O)c2cccc(O)c2O)cs1	812266201	XXAWOXGHOKNDMD-UHFFFAOYSA-N	294.332	1.631	10	20	CDCD	
CC(C)NC(=O)CCNCc1cc(F)ccc1O	226584379	LREHNBIFVXVLBS-UHFFFAOYSA-N	254.305	1.536	10	20	CDCD	
COC[C@H](O)CCN[C@@H](C)c1cc(OC)ccc1O	186202673	XCCADAVDHANGON-WDEREUQCSA-N	269.341	1.449	10	20	CDCD	
Oc1ccc(F)cc1CN1CCN([C@H]2CCNC2)CC1	312442852	XFHFONOZUSWNDP-AWEZNQCLSA-N	279.359	1.011	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@H](C)OC)c1	103529286	VATNTMWLFPDKHQ-BDAKNGLRSA-N	253.298	1.613	10	20	CDCD	
Cc1nnc(NC(=O)NCCc2ccc(O)c(O)c2)s1	115633641	YSTOMLXVTPBBDV-UHFFFAOYSA-N	294.336	1.622	10	20	CDCD	
Cc1cc(C(=O)N(C)[C@@H]2CCNC2)c(C)n1-c1ccccn1	179099770	BHXKSIFUGUOGRU-CQSZACIVSA-N	298.390	1.923	10	20	CDCD	
C[C@@H]1C[C@@H](C(=O)NCc2cccc(O)c2O)CO1	1352657851	NKDSJTRBIPFDFG-PSASIEDQSA-N	251.282	1.139	10	20	CDCD	
COc1ccc(N2CCC(NCCCO)CC2)cc1	305084887	SSVRGAVOBKMSMX-UHFFFAOYSA-N	264.369	1.636	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H](C)C2CCOCC2)c(O)c1O	182810254	BFQRGNMAAXJRLV-JTQLQIEISA-N	279.336	1.951	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)Cn1cc([N+](=O)[O-])cn1	193946436	KMIVEUCHIBJRSG-UHFFFAOYSA-N	290.279	1.156	10	20	CDCD	
COc1ccc(N2CCN(C(=O)[C@H](C)[C@@H](C)N)CC2)cc1	133709587	SWHKACLGBRNIDO-CHWSQXEVSA-N	291.395	1.327	10	20	CDCD	
Cc1ccc(C(=O)N[C@H](CO)C(C)(C)C)c(O)c1O	192860020	WOQSNZMUIQAMQM-SNVBAGLBSA-N	267.325	1.543	10	20	CDCD	
CN(C)C(=O)CCCC(=O)NCCc1ccc(N)cc1	237131635	XMVLDBMDBISFPZ-UHFFFAOYSA-N	277.368	1.186	10	20	CDCD	
Cc1noc(OCC(=O)NCc2ccc(N(C)C)cc2)n1	264541855	QUELFGRIZBWSOR-UHFFFAOYSA-N	290.323	1.139	10	20	CDCD	
CN1CC(=O)N(Cc2ccc3c(c2)CCCN3C)C1=O	272029388	BBCMMVGJUJKNRF-UHFFFAOYSA-N	273.336	1.463	10	20	CDCD	
COc1cc(O)c(CN[C@@H](C)c2cn[nH]c2)cc1OC	271799907	INXWYIQQDZUZGT-VIFPVBQESA-N	277.324	1.983	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNC[C@H]2CC[C@@H](O)C2)c1O	278126459	BPAOHCPWFLGTKT-GXSJLCMTSA-N	296.323	1.560	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N2CCO[C@H]3C[C@H]32)cc1F	368181803	WCYBSYKBDDUHPJ-KGLIPLIRSA-N	293.342	1.574	10	20	CDCD	
CC(C)(C)[C@H](CO)NC(=O)/C=C/c1ccc(O)c(O)c1	278791982	OEOLDZQHFXEWTB-IYNGYCSASA-N	279.336	1.634	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@H](C)CCO)c1O	278493167	LRQZBEBOECEXCJ-MRVPVSSYSA-N	270.285	1.170	10	20	CDCD	
COCC1(O)CCN(Cc2cccc(C)c2O)CC1	271743163	AJNBSCOFLWRRHJ-UHFFFAOYSA-N	265.353	1.674	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H](C)CF)c1O	290149087	LAFSETJHNVZMFX-ZETCQYMHSA-N	258.249	1.757	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)CCn1ccnn1	808093704	UXBYCIKQDLEGGA-UHFFFAOYSA-N	295.339	1.176	10	20	CDCD	
O=C(NCc1ccccc1O)N[C@H]1CCN2CCCC[C@H]12	299546569	WLRZPGNSSLTWNK-UONOGXRCSA-N	289.379	1.818	10	20	CDCD	
CC(=O)NCC[C@H]1CCCN(C(=O)c2cc(O)cs2)C1	807848372	VTRVBBCGDCGWFI-LLVKDONJSA-N	296.392	1.832	10	20	CDCD	
CC(C)[C@@H](CO)CNCc1cc([N+](=O)[O-])ccc1O	808421860	SGTFUPWRGSBAHY-LLVKDONJSA-N	268.313	1.655	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)NCC2CNC2)c1	817964895	IQJFFLFDNRITDL-SECBINFHSA-N	264.325	1.049	10	20	CDCD	
COc1cc(O)c(CNC2CCN(OC)CC2)cc1OC	817418656	AXHHRYDNHPDIFU-UHFFFAOYSA-N	296.367	1.525	10	20	CDCD	
COc1ccc(O)c(CNc2cncc(-n3cccn3)n2)c1	811805160	KZWNETQPKNLTAX-UHFFFAOYSA-N	297.318	1.989	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@H](O)C1CC1	827955460	ISCOHBTVRGCZRR-CQSZACIVSA-N	262.353	1.448	10	20	CDCD	
COc1ccc(N(C)CCN(C)C(=O)[C@H]2CCOC2)cc1	823947942	HRCVUVOHGBYOLZ-ZDUSSCGKSA-N	292.379	1.626	10	20	CDCD	
CC(C)Cn1ccc(C(=O)NCc2ccc(O)c(O)c2)n1	901131012	FZOWDEUSERQKOY-UHFFFAOYSA-N	289.335	1.880	10	20	CDCD	
CCOc1ccc(CN2CC[C@H](CCN)C2)c(O)c1	904405436	IKZUUAUVKAEPIV-LBPRGKRZSA-N	264.369	1.962	10	20	CDCD	
CCOc1ccc(CNCC2(O)CCC2)c(O)c1	732229659	UNVOOZDXPVXBEY-UHFFFAOYSA-N	251.326	1.796	10	20	CDCD	
CC[C@@H]1CN(CC)CCN1C(=O)c1ccc(C)c(O)c1O	836947832	MIHIDDCLWHIVLG-GFCCVEGCSA-N	292.379	1.963	10	20	CDCD	
NC(=O)c1ccc(NC(=O)c2cc(O)cs2)cc1	732266762	KLXJLNVWIDUGEK-UHFFFAOYSA-N	262.290	1.805	10	20	CDCD	
Nc1ccc(CC(=O)NS(=O)(=O)C2CCCC2)cc1	901029760	PSHFXQCWBRMTGZ-UHFFFAOYSA-N	282.365	1.200	10	20	CDCD	
COc1cc(Cl)cc(CNC2CC(N)C2)c1O	906510115	NBCBKNRQWQZURG-UHFFFAOYSA-N	256.733	1.634	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)NCC1(O)CCC1	739020275	ORYOWAGQFYSZMR-UHFFFAOYSA-N	291.395	1.775	10	20	CDCD	
O=C(NCc1ccccc1O)NC1CCC(C(=O)O)CC1	739447573	IPBMHWDFYJOXNQ-UHFFFAOYSA-N	292.335	1.835	10	20	CDCD	
CC(C)(O)C(C)(C)CNC(=O)c1cc(O)cs1	839790090	MPLFRLKSCVAWJH-UHFFFAOYSA-N	257.355	1.981	10	20	CDCD	
COc1ccc(O)c(CN[C@@H](C(=O)O)C(C)(C)C)c1	833733976	XOTJBXFTOLDYNJ-LBPRGKRZSA-N	267.325	1.990	10	20	CDCD	
C[C@@H](N)C1CCN(Cc2cc3c(cc2O)OCO3)CC1	843052994	SEHSXNLYONCLOI-SNVBAGLBSA-N	278.352	1.680	10	20	CDCD	
CCC[C@@](C)(N)C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1	841846634	RIOLEWQVOCNQBQ-GDBMZVCRSA-N	292.427	1.386	10	20	CDCD	
CN(CC(=O)NCc1ccc(O)cc1O)[C@H]1CCSC1	910949138	GAPHBAMLTGVJAK-NSHDSACASA-N	296.392	1.151	10	20	CDCD	
COc1cc(O)c(CN2C[C@H](C)N[C@H](C)C2)cc1OC	843049950	ZOEHKBWRCURMRQ-PHIMTYICSA-N	280.368	1.592	10	20	CDCD	
CCc1cccc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c1	844274914	KQAMOQOAWDGZOB-UHFFFAOYSA-N	272.304	1.683	10	20	CDCD	
COc1cccc([C@@H](C)NC[C@@]2(OC)CCOC2)c1O	846165579	PCCQYPZLFFDQRD-ABAIWWIYSA-N	281.352	1.857	10	20	CDCD	
COC(=O)[C@@H]1C[C@H](O)CN(Cc2cccc(Cl)c2O)C1	843434096	HPJNXJDGEWEWJP-MNOVXSKESA-N	299.754	1.401	10	20	CDCD	
CN(C)c1ccc([C@@H](N)CNC(=O)[C@@H]2CCCCN2)cc1	841846189	KNCMVNWNYQTJAD-GJZGRUSLSA-N	290.411	1.011	10	20	CDCD	
COc1cccc(CN(C[C@H](C)O)C2CC2)c1O	848929246	UVEQOSCTQVBFNE-JTQLQIEISA-N	251.326	1.746	10	20	CDCD	
CCOC1(C(=O)Nc2ccc(N)cc2)CCOCC1	852789517	AIXXELGDKIEISO-UHFFFAOYSA-N	264.325	1.793	10	20	CDCD	
CC[C@H](NC(=O)c1cc(O)cs1)[C@@H](O)C(F)(F)F	766249771	PNEYPKXDBHSNOQ-POYBYMJQSA-N	283.271	1.885	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCOC(=O)N2)c1	860243192	ZLZPWGICZCGSLY-KWQFWETISA-N	294.307	1.077	10	20	CDCD	
COc1cccc(CN2CCC(CCO)CC2)c1O	768238349	YOLSURUMYLRANU-UHFFFAOYSA-N	265.353	1.995	10	20	CDCD	
COCC1(O)CCN(Cc2ccc(C)cc2O)CC1	876749556	MBSJBVYDZYTOBD-UHFFFAOYSA-N	265.353	1.674	10	20	CDCD	
CCO[C@@H]1C[C@H](NCc2c(O)cccc2OC)[C@@H]1OC	775978929	PIBDSDALZOELRA-GLQYFDAESA-N	281.352	1.683	10	20	CDCD	
CCc1cc(CNC(=O)/C=C\c2ccc(O)c(O)c2)n[nH]1	779516756	HUMOSMGOLRUSIG-XQRVVYSFSA-N	287.319	1.713	10	20	CDCD	
COC[C@H](C)CC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	773767811	PWCWNZQQJPZDJR-MNOVXSKESA-N	281.352	1.818	10	20	CDCD	
O=C(COC(=O)c1ccoc1)c1ccc(O)c(O)c1	782571632	LUHLEWHTLUAYDI-UHFFFAOYSA-N	262.217	1.731	10	20	CDCD	
Nc1ccc(CNC(=O)N2CCC3(CC2)OCCO3)cc1	1120677509	RHFLLQMHFICDQH-UHFFFAOYSA-N	291.351	1.317	10	20	CDCD	
CSC[C@H](CCO)NC(=O)c1ccc(C)c(O)c1O	780984040	ODCYOGVTAXPMSM-VIFPVBQESA-N	285.365	1.250	10	20	CDCD	
CC[C@H](C)OCC(=O)OCC(=O)c1ccc(O)c(O)c1	784335511	BETVWOXVYKFQIN-VIFPVBQESA-N	282.292	1.639	10	20	CDCD	
C[C@@H]1NC(=O)[C@H](C)N(Cc2cc(F)cc(F)c2O)[C@@H]1C	895119968	GXILHNXSJHQDLI-YIZRAAEISA-N	284.306	1.768	10	20	CDCD	
O=C(NCCCn1cccn1)c1c(F)ccc(O)c1O	789953109	NBKQMDYGHVZGBR-UHFFFAOYSA-N	279.271	1.254	10	20	CDCD	
Cc1ccc(C(=O)N[C@H](CO)CC2CC2)c(O)c1O	781016579	YSVOLLLKPBLXEB-JTQLQIEISA-N	265.309	1.297	10	20	CDCD	
COCC1CN(Cc2ccc(N3CCN(C)CC3)cc2)C1	895971096	KUXJYXXZBIDBBS-UHFFFAOYSA-N	289.423	1.517	10	20	CDCD	
COC[C@H](C)CNC(=O)NCc1ccc(OC)cc1O	792903717	KVXRHEKIGPCQPU-SNVBAGLBSA-N	282.340	1.483	10	20	CDCD	
CC[C@H](NCc1ccc(N2CCN(C)CC2)cc1)[C@H](C)O	1261256416	GISANYQAIHUISW-YOEHRIQHSA-N	291.439	1.687	10	20	CDCD	
CO[C@@H]1COC[C@@H]1NCc1ccc2c(c1)CCCO2	922180966	QZLNZHYYJCXZGK-DZGCQCFKSA-N	263.337	1.515	10	20	CDCD	
O=C(N[C@H]1C[C@@H](C(=O)O)[C@@H]2C[C@H]12)c1cc(O)cs1	1601572835	MEDHNWVPXIDPPL-XAVMHZPKSA-N	267.306	1.293	10	20	CDCD	
O=C(O)[C@@H](Cc1ccncc1)NCc1cc(F)ccc1O	1605904107	RADQZIHVGWAXAQ-CYBMUJFWSA-N	290.294	1.712	10	20	CDCD	
NC1(CNC(=O)NCc2cccc(Cl)c2O)CCC1	1580149632	VGWIQEXWHNPHAR-UHFFFAOYSA-N	283.759	1.726	10	20	CDCD	
CCOc1ccc(O)c(CN2CCC[C@H](O)[C@H]2C(=O)O)c1	1597130548	SHEHLBUGWKWASZ-KBPBESRZSA-N	295.335	1.201	10	20	CDCD	
NC(=O)[C@H]1CCN(Cc2c(O)cccc2Cl)C1	157159838	ASXHBPFXXRXYSV-QMMMGPOBSA-N	254.717	1.353	10	20	CDCD	
CCOc1ccccc1NC[C@@H](O)CO[C@@H](C)COC	233800318	CWCLTNOOSWKHNU-QWHCGFSZSA-N	283.368	1.910	10	20	CDCD	
NC[C@@H]1CCCC[C@H]1NC(=O)Cc1ccc(N)cc1	262627430	MENCRLWJAMNRGP-GXTWGEPZSA-N	261.369	1.445	10	20	CDCD	
CCN(Cc1cc2c(cc1O)OCO2)C[C@@H](C)OC	291139659	OXBVXHFQNWSVTD-SNVBAGLBSA-N	267.325	1.978	10	20	CDCD	
COCC[C@@H](CO)N[C@H]1CCc2cccc(O)c21	296618229	YZVASYJXAWVAGV-RYUDHWBXSA-N	251.326	1.367	10	20	CDCD	
CC(C)(C)C[C@@H](NC(=O)c1cccc(O)c1O)C(=O)O	401369085	VEWRHLNUWAVQMC-SECBINFHSA-N	281.308	1.717	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@@H]1CCCC[C@@H]1N	85369284	IAVPRLDKVDSUPT-OLZOCXBDSA-N	262.353	1.868	10	20	CDCD	
CCN1CC[C@H](NC(=O)Nc2ccc(N)cc2)C1=O	709014852	QQTNIVXDTHSSHS-NSHDSACASA-N	262.313	1.011	10	20	CDCD	
C[C@@H](NS(=O)(=O)C1CCC1)c1ccccc1O	882502427	JKDPBIZRRMFELV-SECBINFHSA-N	255.339	1.925	10	20	CDCD	
O=C(NCc1c(O)ccc2c1CCCC2)[C@H]1CCOC1	174521011	KWVUPBOUFVKSQY-LBPRGKRZSA-N	275.348	1.924	10	20	CDCD	
Oc1ccc(Br)cc1CN1CC[C@H](O)C1	128149657	GTIJTWJQFYIIJE-JTQLQIEISA-N	272.142	1.721	10	20	CDCD	
COc1ccc(O)c(CN2CCC[C@H]2c2nncn2C)c1	180562068	NLALCEMUCJHDRM-ZDUSSCGKSA-N	288.351	1.866	10	20	CDCD	
O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1C[C@H](F)CN1	188729192	GQFMULSIVGYONJ-DZGCQCFKSA-N	291.370	1.603	10	20	CDCD	
COC[C@H](O)CNCc1cc(Cl)cc(Cl)c1O	71264740	WYGGFQZDEDFHFS-SECBINFHSA-N	280.151	1.796	10	20	CDCD	
O=C(/C=C/c1ccc[nH]1)NCCc1ccc(O)c(O)c1	188544447	BGPIFZUYPYCAJK-GQCTYLIASA-N	272.304	1.798	10	20	CDCD	
NC(=O)NCc1ccc(N2CCSCC2)cc1	77626174	YQFQIEOXXKLMFQ-UHFFFAOYSA-N	251.355	1.408	10	20	CDCD	
CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	46905964	IPVUMZVAKWUQKY-LBPRGKRZSA-N	264.325	1.713	10	20	CDCD	
COc1ccc(O)c(CN2C[C@@H](C)NC[C@H]2C)c1	86467088	FDBYPWYZWMKETG-GHMZBOCLSA-N	250.342	1.583	10	20	CDCD	
C[C@H](O)C[C@@H]1COCCN1Cc1ccc(N(C)C)cc1	193558039	HCGMSFBPYSYBQZ-XJKSGUPXSA-N	278.396	1.724	10	20	CDCD	
CC(C)NC(=O)CN(C)Cc1cc(F)ccc1O	179888893	MXCVRCKFAAMKCH-UHFFFAOYSA-N	254.305	1.488	10	20	CDCD	
CCN(CC)C(=O)CN(C)Cc1ccccc1O	96477935	VUWNXSFYWFJIGI-UHFFFAOYSA-N	250.342	1.692	10	20	CDCD	
Cc1ccc(O)c(CN2CCc3nn(C)c(=O)cc3C2)c1	93756686	BNYODNXLMDRLRF-UHFFFAOYSA-N	285.347	1.353	10	20	CDCD	
CC(C)(C)OC(=O)CCNC(=O)NCc1ccccc1O	266512819	MMJJXBMBDLQUQP-UHFFFAOYSA-N	294.351	1.923	10	20	CDCD	
Cc1cc(C(=O)NC[C@@H](C)CO)c(C)n1-c1ccccn1	269564937	RTCHDYVQPBBNNI-LLVKDONJSA-N	287.363	1.847	10	20	CDCD	
COCC[C@@](C)(O)CNCc1ccc(N(C)C)c(F)c1	265245008	MRSKVLADLFSYDM-OAHLLOKOSA-N	284.375	1.769	10	20	CDCD	
Cc1cccc(CN2CC[S@](=O)C[C@@H](C)C2)c1O	277482924	MUTZYJCVJYOPEZ-VOJFVSQTSA-N	267.394	1.901	10	20	CDCD	
CN(C)c1ccc([C@@H]2NC(=O)[C@H]3CSCCN32)cc1F	270753083	CQXRZWXTTRICBM-CHWSQXEVSA-N	295.383	1.438	10	20	CDCD	
COC[C@H](CNCc1ccc(N(C)C)c(F)c1)OC	272665777	IXDXYOXOZLDRTK-LBPRGKRZSA-N	270.348	1.643	10	20	CDCD	
Cc1cccc(CN2CCC[C@](F)(CO)C2)c1O	289962611	YOLQSJUACIZOJA-CQSZACIVSA-N	253.317	1.997	10	20	CDCD	
CC(C)[C@@H](O)C(=O)N1CCOc2cc(N(C)C)ccc21	286361052	ZFKLBNDBNDWSIP-CQSZACIVSA-N	278.352	1.495	10	20	CDCD	
O=C(N[C@H]1CCC[C@@H]1CCO)c1c(F)ccc(O)c1O	295726825	LOVMURWFEYSFRQ-SCZZXKLOSA-N	283.299	1.518	10	20	CDCD	
COc1cc(O)c(CNCCC(C)(C)CO)cc1OC	294936245	ZUDFUDALPQCHFN-UHFFFAOYSA-N	283.368	1.908	10	20	CDCD	
Cc1ccc(C(=O)NCc2nc(C3CC3)n[nH]2)c(O)c1O	295756181	BHNNYNSHCFGLFC-UHFFFAOYSA-N	288.307	1.332	10	20	CDCD	
CCN(CCOCCO)Cc1ccc(N(C)C)c(C)c1	294245718	UHYFCZUIKNHHQC-UHFFFAOYSA-N	280.412	1.892	10	20	CDCD	
COc1ccc(CNC(=O)C[C@@H](C)n2cccn2)c(O)c1	819520790	PJWMMPNABWXWFP-LLVKDONJSA-N	289.335	1.865	10	20	CDCD	
C[C@H](NC[C@H]1CNCCCO1)c1ccc(N(C)C)cc1	817979644	CINCVFCBHITNRV-XJKSGUPXSA-N	277.412	1.782	10	20	CDCD	
NC(=O)Cc1ccc(CNCc2ccccc2O)cc1	727470782	MHCRDNNVQAFADW-UHFFFAOYSA-N	270.332	1.710	10	20	CDCD	
C[C@H]1NCC[C@H]1C(=O)NCc1ccc2c(c1)CCCN2C	827914020	VOWKITAREPJZOG-IUODEOHRSA-N	287.407	1.683	10	20	CDCD	
C[C@H](O)C1(NCc2ccc(N(C)C)c(F)c2)CC1	827585379	HJCRZAHNVYZZIV-JTQLQIEISA-N	252.333	1.895	10	20	CDCD	
COc1cccc(CN2CC[C@H]3NC(=O)CC[C@@H]3C2)c1O	827141578	UVTMFRYBEVQSLH-DGCLKSJQSA-N	290.363	1.501	10	20	CDCD	
CCCS(=O)(=O)NCCCSc1nccs1	733899321	GFEKEZOLFOTRGV-UHFFFAOYSA-N	280.440	1.955	10	20	CDCD	
C[C@@H](N)CN(C)Cc1cc(Br)ccc1O	389604249	XAKRLHCFBKCNEX-MRVPVSSYSA-N	273.174	1.934	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCC[C@H](N2CCCC2=O)C1	732300930	YEHRIPDMMLSMCQ-JTQLQIEISA-N	294.376	1.681	10	20	CDCD	
COc1cccc(CNC2CCN(C(=O)O)CC2)c1O	738105103	RUDAERRZTDALHS-UHFFFAOYSA-N	280.324	1.633	10	20	CDCD	
Cc1cnc(CCNCc2cc(F)ccc2O)cn1	835062392	TXTIETLSSMCRCD-UHFFFAOYSA-N	261.300	1.962	10	20	CDCD	
CN1CCC[C@@H](CCNC(=O)c2c(F)ccc(O)c2O)C1	839799880	RSZWYQUQXQIAQG-JTQLQIEISA-N	296.342	1.699	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCN(C)CC1	734686485	PAMYVNYDACLGNM-UHFFFAOYSA-N	290.411	1.518	10	20	CDCD	
CO[C@H](C(=O)NCc1ccc(O)cc1O)C(C)C	910947662	JAXVGUXEKYDVHS-LBPRGKRZSA-N	253.298	1.385	10	20	CDCD	
COc1cccc(O)c1CN1CC[C@@](C)(C(=O)O)C1	1604871578	XJQGVFPGFCXALJ-CQSZACIVSA-N	265.309	1.697	10	20	CDCD	
COc1cccc([C@H](C)N[C@H](C)c2ncnn2C)c1O	846167218	ULGRVPJKYFYIRM-VHSXEESVSA-N	276.340	1.941	10	20	CDCD	
Nc1ccc(CCNC(=O)NOC/C=C\Cl)cc1	841912123	UFFYQNQSPFXTIK-XFSBKJJWSA-N	269.732	1.795	10	20	CDCD	
CC[C@H](C)N(C)CCNC(=O)NCCc1ccc(N)cc1	841781408	XMIDOZIKELRWCD-ZDUSSCGKSA-N	292.427	1.841	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNCC(=O)N1CCOCC1	840936533	KHPBNCWRUDMZLM-UHFFFAOYSA-N	291.395	1.009	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H](N)C2CC2)c1	841965921	LRYOZUPHXFRYQQ-RNCFNFMXSA-N	293.367	1.498	10	20	CDCD	
COc1cc(O)c(CN[C@H](CCN)C(F)F)cc1OC	841073168	FCGQHPNVIVCCQG-SECBINFHSA-N	290.310	1.482	10	20	CDCD	
COc1ccc(O)c([C@H](C)N[C@H]2COC[C@H]2OC)c1	839194615	CJVGDUOKCVJHBI-DUFXMDAXSA-N	267.325	1.465	10	20	CDCD	
CN(C)c1cc(F)c(CNC[C@@H]2CCCNC2=O)cc1F	858177403	KMUGWXNIMUVCCB-JTQLQIEISA-N	297.349	1.647	10	20	CDCD	
Nc1ccc(NC(=O)N2CCN([C@@H]3CCOC3)CC2)cc1	850751244	XNOLZAWUTZXCRV-CQSZACIVSA-N	290.367	1.207	10	20	CDCD	
CC(C)N(Cc1ccc(N(C)C)cc1)CC1(CO)COC1	757386201	BKUWSJDPYXEAKO-UHFFFAOYSA-N	292.423	1.972	10	20	CDCD	
CNC(=O)[C@@H]1CCC[C@@H]1NCc1cc2c(cc1O)OCO2	765795586	KDDNUAQWJJCMHJ-MNOVXSKESA-N	292.335	1.125	10	20	CDCD	
COc1coc(CN(C)Cc2ccccc2O)cc1=O	760840811	NKFFBYWBCNYOAK-UHFFFAOYSA-N	275.304	1.986	10	20	CDCD	
Cc1ccc(CN[C@@H](C)[C@H](C)N2CCOCC2)c(O)c1	877025282	FWUJRPHNVCHCOP-KBPBESRZSA-N	278.396	1.899	10	20	CDCD	
CCNC(=O)CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1	773631856	YRPFIWVFKJIVEZ-LLVKDONJSA-N	292.383	1.249	10	20	CDCD	
C[C@@H](NC(=O)NCC(C)(C)O)c1ccc(N(C)C)cc1	776250320	UJERJKUCICMKJJ-LLVKDONJSA-N	279.384	1.884	10	20	CDCD	
COC1(CNC(=O)NCc2ccccc2O)CCC1	780041824	KOGCJLJDXUPJPV-UHFFFAOYSA-N	264.325	1.761	10	20	CDCD	
COC[C@H]1CCCN(C(=O)NCc2ccc(N)cc2)C1	1120592280	UZQXYJJIRPVDOA-ZDUSSCGKSA-N	277.368	1.837	10	20	CDCD	
CC[C@H](NC(=O)NCc1ccc(N)cc1)[C@H](C)O	1120677314	NMOQNFZOJMRSLC-CABZTGNLSA-N	251.330	1.227	10	20	CDCD	
CNC(=O)c1cc(=NCc2ccc(N(C)C)cc2)cc[nH]1	788463528	FSFIOHOBQZSEBX-UHFFFAOYSA-N	284.363	1.541	10	20	CDCD	
CC(C)(F)C(=O)OCC(=O)c1ccc(O)c(O)c1	784482536	PMRKMNSVNKBTCD-UHFFFAOYSA-N	256.229	1.572	10	20	CDCD	
CCN1CC[C@@H](CNCc2ccc(OC)c(OC)c2O)C1	892613652	NSTVALLAVNZTAH-LBPRGKRZSA-N	294.395	1.841	10	20	CDCD	
COc1ccc(CN2CCC[C@@H](CO)C2)c(O)c1OC	891393796	RCCLWQHUAYKYQI-LLVKDONJSA-N	281.352	1.614	10	20	CDCD	
OCCO[C@H]1CCCN(Cc2cc(F)cc(F)c2O)C1	894017659	RBGAVVRDYFYRDY-LBPRGKRZSA-N	287.306	1.644	10	20	CDCD	
O=C(Cc1ncccc1F)NCCc1ccc(O)c(O)c1	792237572	FXIUDBOSDXQQJD-UHFFFAOYSA-N	290.294	1.533	10	20	CDCD	
CC[C@@]1(C)CN(C(=O)c2cccc(O)c2O)CCO1	275991835	NCXYPFMIITVNRC-AWEZNQCLSA-N	265.309	1.739	10	20	CDCD	
COc1ccc(CNC(=O)CCCCCN)c(O)c1	83492617	ZRJLAMPKEBMFOO-UHFFFAOYSA-N	266.341	1.536	10	20	CDCD	
COc1ccc(O)c(CN2CCCC[C@@H]2C(=O)O)c1	86729894	GJVQXBBZEDMZOH-GFCCVEGCSA-N	265.309	1.840	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)C[C@H]1C=CS(=O)(=O)C1	1330810632	XCEOOTFIOXHSMS-LLVKDONJSA-N	295.360	1.299	10	20	CDCD	
CC[C@@H](NCc1cc(Cl)cc(OC)c1O)C(=O)NC	697915073	FTLKIIJPMSLADY-SNVBAGLBSA-N	286.759	1.668	10	20	CDCD	
C[C@@H](C(=O)NCc1cccc(O)c1O)N1CCSCC1	1263894733	SVQVHAXTARXRCB-JTQLQIEISA-N	296.392	1.151	10	20	CDCD	
CCNCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	1341512516	FSISRCUPIFPEAJ-HNNXBMFYSA-N	292.427	1.081	10	20	CDCD	
CN(C(=O)Cn1nnc2c1CCCC2)c1ccc(N)cc1	1342332916	NXJSITUCXYSZIZ-UHFFFAOYSA-N	285.351	1.402	10	20	CDCD	
Cc1ccn(C[C@@H](C)C(=O)NCc2cccc(O)c2O)n1	1350299952	LTTFFYGMKAESBS-SNVBAGLBSA-N	289.335	1.555	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1C[C@H](O)C[C@@H]1C(=O)O	1607667628	MJQILMCFFDMZCN-ZIAGYGMSSA-N	278.352	1.081	10	20	CDCD	
C[C@@H]1CN(C(=O)C2=CC[C@H](N)C2)c2cccc(F)c2O1	1576762128	IBYCQNCLYOQFTJ-KOLCDFICSA-N	276.311	1.987	10	20	CDCD	
COc1ccc(O)c(CN[C@H](C)[C@@H]2C[C@@H]2C(=O)O)c1	1599598992	YQDKYGYXTATHHQ-ZHAHWJHGSA-N	265.309	1.600	10	20	CDCD	
C[C@@](NC(=O)Cc1ccc(O)c(O)c1)(C(=O)O)C1CC1	1593040732	WFKLBFSBINDSLC-AWEZNQCLSA-N	279.292	1.010	10	20	CDCD	
COCCC[C@H](NCc1ccc(OC)c(C)c1)C(=O)O	1777203391	LQNKYAUZGSAWTE-ZDUSSCGKSA-N	281.352	1.973	10	20	CDCD	
CCCOc1ccc(CN2CCC(C(N)=O)CC2)c(O)c1	158625377	NQWIYZBEBLZYSP-UHFFFAOYSA-N	292.379	1.878	10	20	CDCD	
CCC[C@@](C)(O)C(=O)NCc1cc(OC)ccc1O	159752338	GECIARARRSGYKE-CQSZACIVSA-N	267.325	1.568	10	20	CDCD	
CC[C@](C)(CCO)NC(=O)Nc1ccc(N)cc1	841297924	LKNDRHHWVZSYTR-CYBMUJFWSA-N	251.330	1.941	10	20	CDCD	
CO[C@H]1C[C@@H](NC(=O)Cc2ccc(N)cc2)C1(C)C	226379994	NVMFPIIKHPVFDG-OLZOCXBDSA-N	262.353	1.741	10	20	CDCD	
CO[C@@]1(C)CCCN(C(=O)c2cccc(O)c2O)C1	230268829	OEEDGSCHICTOCF-AWEZNQCLSA-N	265.309	1.739	10	20	CDCD	
C[C@@H]1C[C@H](NC(=O)c2cccc(O)c2O)CCN1C	126499631	VQRZPFVJIZNQPR-NXEZZACHSA-N	264.325	1.310	10	20	CDCD	
C[C@@H]1CCN[C@H](C(=O)N(C)Cc2ccccc2O)C1	126751141	IMSVPCXNGRAMCW-YPMHNXCESA-N	262.353	1.739	10	20	CDCD	
C[C@@H](NCC(=O)NCC(F)F)c1ccc(F)cc1O	281026035	ZVQHKVPRDQGCFX-SSDOTTSWSA-N	276.258	1.563	10	20	CDCD	
CC(=O)c1cc(Cl)cc(CN(C)CC(=O)N(C)C)c1O	50133713	DXEXCDPZRNBGKK-UHFFFAOYSA-N	298.770	1.768	10	20	CDCD	
CCOc1cccc(CN[C@H]2CCS(=O)(=O)[C@H]2C)c1O	294006986	TYQPEGWFSBBHLQ-JQWIXIFHSA-N	299.392	1.456	10	20	CDCD	
COC[C@H](O)CNCc1ccc2c(c1)CCCN2C	71264283	HHDKVHFBNXCFOJ-CQSZACIVSA-N	264.369	1.166	10	20	CDCD	
COc1ccc(O)c([C@H](C)NCCCn2cncn2)c1	381822585	VBDCMKGLMAUWPK-NSHDSACASA-N	276.340	1.733	10	20	CDCD	
Cc1[nH]ncc1C(=O)NCc1ccc(N(C)C)c(F)c1	58972650	HIMDIYZCANFYPT-UHFFFAOYSA-N	276.315	1.853	10	20	CDCD	
COCCN(Cc1c(O)cccc1Cl)[C@@H](C)C(N)=O	119929529	FDSARTYSOWZZPA-VIFPVBQESA-N	286.759	1.368	10	20	CDCD	
CCS(=O)(=O)CCN[C@@H](C)c1ccc(F)cc1O	185330812	KPVFILIAUXVLQB-VIFPVBQESA-N	275.345	1.617	10	20	CDCD	
Cc1nccc(C(=O)NCc2ccc(O)c(O)c2)n1	182534370	XZHDFQQWIXSFSJ-UHFFFAOYSA-N	259.265	1.126	10	20	CDCD	
Oc1c(Br)cccc1CN1CC[C@H](O)C1	128163227	DLCGFXLJUQUXDG-VIFPVBQESA-N	272.142	1.721	10	20	CDCD	
CC[C@](C)(O)CNC(=O)/C=C/c1ccc(O)c(O)c1	181142801	UFRUMHKDOYWPFI-DYLGSBMWSA-N	265.309	1.388	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)NCCn1ccnc1	43311450	ARPXANZKDLCZGS-UHFFFAOYSA-N	274.324	1.430	10	20	CDCD	
CCOCCNC(=O)NCc1ccc(N(C)C)cc1	43862639	QVCRIGWXCMUPGH-UHFFFAOYSA-N	265.357	1.588	10	20	CDCD	
COc1ccc(N2CCN(C(=O)C(C)(C)CN)CC2)cc1	44751315	OZMLJMKIFAUTHW-UHFFFAOYSA-N	291.395	1.329	10	20	CDCD	
Oc1cc2c(cc1CN[C@@H]1CCCC[C@H]1O)OCO2	52002603	ZKMZHYBDWOUEGQ-GHMZBOCLSA-N	265.309	1.514	10	20	CDCD	
CCOc1ccc(O)c(CN2CCN(CC)C(=O)C2)c1	273535722	WEFWWHSQIOUMDM-UHFFFAOYSA-N	278.352	1.455	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)NCC2(C)OCCO2)c1	273548808	ZXOVUZCXYZDHHP-JTQLQIEISA-N	295.335	1.592	10	20	CDCD	
CCN1CCC(NC(=O)/C=C/c2ccc(O)c(O)c2)CC1	272510505	UPJMRKGNTUSJEL-GQCTYLIASA-N	290.363	1.712	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CC(C)(C)O)cc1F	279436608	DZCWUMVOFVJHOD-UHFFFAOYSA-N	268.332	1.669	10	20	CDCD	
Cc1ccc(C(=O)NCCC(=O)OC(C)(C)C)c(O)c1O	272780299	UXCPNKOHHNRQGM-UHFFFAOYSA-N	295.335	1.868	10	20	CDCD	
Cc1cc(O)c(CNC[C@H](CO)[C@H]2CCOC2)cc1C	280387991	WLPGFEFYWBJDRN-DZGCQCFKSA-N	279.380	1.744	10	20	CDCD	
COc1cccc(CNC(=O)[C@H]2CCCN2C2CC2)c1O	280031053	YUBNQRKMMNSOMU-CYBMUJFWSA-N	290.363	1.644	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)c1ncoc1C1CC1	293735636	PLPUEBQIISEDMV-UHFFFAOYSA-N	274.276	1.893	10	20	CDCD	
CC[C@@H](CNS(C)(=O)=O)N[C@@H]1CCc2cccc(O)c21	296584768	UPXCAMUMQGCSLQ-NWDGAFQWSA-N	298.408	1.297	10	20	CDCD	
O=C(NCC1CCOCC1)c1c(F)ccc(O)c1O	295405183	ZVHUNDZJMIHDMF-UHFFFAOYSA-N	269.272	1.393	10	20	CDCD	
C[C@@H](CCCCO)NC(=O)/C=C/c1ccc(O)c(O)c1	296124808	LQLTVFDYAXPRRH-IOCXFXADSA-N	279.336	1.778	10	20	CDCD	
CCOc1ccc(CNCCN2CCCOCC2)c(O)c1	809750841	JYWCZHQNHZCVEU-UHFFFAOYSA-N	294.395	1.603	10	20	CDCD	
CC[S@@](=O)CC(=O)NCc1ccc(N(C)C)c(F)c1	295287434	PWAZHJCXIIGACG-LJQANCHMSA-N	286.372	1.277	10	20	CDCD	
COCC1(NCc2ccccc2O)CCOCC1	814302533	WTJKQTVBUUBWAW-UHFFFAOYSA-N	251.326	1.677	10	20	CDCD	
COc1cccc(CNC(=O)c2cncs2)c1O	729859883	VUSBJKKHVJHKMF-UHFFFAOYSA-N	264.306	1.787	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](O)C1CC1	824234865	VOMHUAZQDPDKIF-HNNXBMFYSA-N	276.380	1.872	10	20	CDCD	
COC(=O)C1(C)CN(Cc2cc(F)ccc2O)C1	822534416	FRXHYLWXEMSVCJ-UHFFFAOYSA-N	253.273	1.526	10	20	CDCD	
COc1ccc(O)c(CN2C[C@@H](C(=O)O)[C@H](C3CC3)C2)c1	904429386	GIIBFJVFGIVTCK-UONOGXRCSA-N	291.347	1.943	10	20	CDCD	
C[C@](O)(C(=O)NCCc1ccc(N)cc1)C1CCC1	904926306	SSHODDLISLGTOY-OAHLLOKOSA-N	262.353	1.479	10	20	CDCD	
NC(=O)CCC(=O)NCCCSc1nccs1	906671646	TVGYATXDUAJEOQ-UHFFFAOYSA-N	273.383	1.007	10	20	CDCD	
COCCCOCCC(=O)NCc1cc(OC)ccc1O	830544246	MUMUBTHGKSKHRE-UHFFFAOYSA-N	297.351	1.460	10	20	CDCD	
CN(C)c1ccc([C@@H](N)CNC(=O)c2cnsn2)cc1	832274074	RTHVXNAHOZICNI-NSHDSACASA-N	291.380	1.034	10	20	CDCD	
CN(C)c1ccc(Cn2nnc(C(F)(F)F)n2)cc1	919060506	KUDWPXOBWJBHRA-UHFFFAOYSA-N	271.246	1.806	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)[C@@H]1CCc2n[nH]cc2C1	910950664	ZQGDOYXDXBYQRR-SECBINFHSA-N	287.319	1.242	10	20	CDCD	
CCO[C@@H]1C[C@@H]1C(=O)N(CC(=O)O)Cc1ccccc1O	911486542	PBSRSJBORARKBE-WCQYABFASA-N	293.319	1.230	10	20	CDCD	
C[C@H]1C[C@@H](C(=O)NCc2ccc(O)cc2O)CCC1=O	910950239	TVAWINVITPCPKV-UWVGGRQHSA-N	277.320	1.719	10	20	CDCD	
COc1cc(O)c(CN2CCC([C@H](C)N)CC2)cc1OC	843048673	PBOBZRPTBYIQEP-NSHDSACASA-N	294.395	1.969	10	20	CDCD	
O=C(C[C@@H]1CCCO1)NCc1ccc(O)cc1O	910951099	AVZWKEIXRZDNFW-NSHDSACASA-N	251.282	1.283	10	20	CDCD	
C[C@@H]1NCCC[C@H]1NCc1ccc(N2CCOCC2)cc1	841063977	CYTJNBLIKSPARU-WMLDXEAASA-N	289.423	1.753	10	20	CDCD	
CCC[C@@H](O)[C@H](CO)NCc1c(O)ccc(Cl)c1F	842227158	RJRDEHXYQDBODU-CMPLNLGQSA-N	291.750	1.796	10	20	CDCD	
CNCCN(C)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	841882338	JLZPSCMQALUTDG-GFCCVEGCSA-N	278.400	1.674	10	20	CDCD	
C[C@@H](CC(N)=O)N[C@H](C)c1ccc(Cl)cc1O	841760205	SADFJVXQYNVACJ-JGVFFNPUSA-N	256.733	1.960	10	20	CDCD	
C[C@H](O)C[C@@H](C)NC(=O)NCCc1ccc(N)cc1	841960316	MFRIIVGZGJSGPT-MNOVXSKESA-N	265.357	1.270	10	20	CDCD	
CC(C)[C@H](CNCc1cccc(F)c1O)C(=O)O	848639054	FCVKKEZGWLUOEA-JTQLQIEISA-N	255.289	1.978	10	20	CDCD	
CCN1C[C@@H](CNCc2ccc3c(c2)CCCO3)CC1=O	922220951	DJEKJNWRBCXIQY-CQSZACIVSA-N	288.391	1.970	10	20	CDCD	
CNC(=O)C(C)(C)CNC(=O)NCc1cc(C)ccc1O	858308152	RUGHKCZOIISBOG-UHFFFAOYSA-N	293.367	1.272	10	20	CDCD	
COc1cccc(CN2CC[C@@H](C)[C@H](CO)C2)c1O	857061089	JMZVIMAIWYSTDM-YPMHNXCESA-N	265.353	1.851	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NCCOCCF	856473164	LPEZNSCCEOZDFG-DUXPYHPUSA-N	269.272	1.213	10	20	CDCD	
C[C@@H](CN[C@H](C)c1cc(F)ccc1O)S(C)(=O)=O	697579641	HGDDKYOEGOTNFJ-DTWKUNHWSA-N	275.345	1.615	10	20	CDCD	
COC(=O)C[C@@]1(NCc2ccc(OC)c(C)c2)CCOC1	766469109	NQNZFFKYQJUQKQ-INIZCTEOSA-N	293.363	1.815	10	20	CDCD	
COc1cc(O)c(CNC[C@@]2(OC)CCOC2)cc1OC	764681723	HPJAZJULMOJVPA-HNNXBMFYSA-N	297.351	1.305	10	20	CDCD	
COCC[C@@](C)(O)CNCc1ccc(C)cc1O	877035659	ZPNJJNIBVSQWSX-CQSZACIVSA-N	253.342	1.578	10	20	CDCD	
O=C(NCCCSc1nccs1)c1cncnc1	760867874	QKRHNJDSZCKGSQ-UHFFFAOYSA-N	280.378	1.845	10	20	CDCD	
Cn1cccc1CNC(=S)NCc1ccon1	764475676	GHHQQZXHDHTSKS-UHFFFAOYSA-N	250.327	1.177	10	20	CDCD	
Cc1cccc(O)c1CNC[C@H](CO)[C@@H]1CCOC1	877493477	BWHTWJGNXPRWLI-CHWSQXEVSA-N	265.353	1.435	10	20	CDCD	
COC(=O)Cc1occc1C(=O)NCc1ccccc1O	774062572	FQEYIEJBSPYROK-UHFFFAOYSA-N	289.287	1.631	10	20	CDCD	
Cc1cccc(O)c1CN1CCC[C@@H](CC(N)=O)C1	876780537	HBUHWGCKWXBOSF-LBPRGKRZSA-N	262.353	1.788	10	20	CDCD	
Oc1ccc2ccncc2c1CN1CC[C@@H](n2cncn2)C1	776778390	NCXAZDHHVJABJK-CYBMUJFWSA-N	295.346	1.979	10	20	CDCD	
CN1CCN(Cc2cc(Cl)c(F)cc2O)[C@@H](CO)C1	877643204	CIZREAOWCDSFFP-SNVBAGLBSA-N	288.750	1.293	10	20	CDCD	
CO[C@@H]1C[C@H](NC(=O)NCc2ccc(N)cc2)C1(C)C	1120610462	ONJZJWKJCPPPDV-QWHCGFSZSA-N	277.368	1.882	10	20	CDCD	
COc1cc(C)cc(CNC[C@](C)(O)CSC)c1O	894288006	NQMXCRHPVCUTNP-AWEZNQCLSA-N	285.409	1.913	10	20	CDCD	
C[C@@H](CCS(C)(=O)=O)NCc1cc(F)cc(F)c1O	883044724	BBKPOXZXYBIAEQ-QMMMGPOBSA-N	293.335	1.583	10	20	CDCD	
CNC(=S)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	899724283	LXAFACTXANPEOQ-CYBMUJFWSA-N	280.441	1.449	10	20	CDCD	
COc1nn(C)cc1C(=O)N(C)Cc1ccccc1O	883964165	OIDIAVIXNZHDGL-UHFFFAOYSA-N	275.308	1.407	10	20	CDCD	
C[C@@]1(CO)C[C@H](O)CN1Cc1c(O)ccc(Cl)c1F	895328915	HLPLKCCSVYVYDK-SDBXPKJASA-N	289.734	1.502	10	20	CDCD	
COc1ccc(CNc2ncnc3nccnc23)c(O)c1	794866309	VHUDJBIILYEOPK-UHFFFAOYSA-N	283.291	1.746	10	20	CDCD	
CCCN(CCNS(C)(=O)=O)Cc1ccccc1O	107300433	MLLRQNCBRLLJJD-UHFFFAOYSA-N	286.397	1.153	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)[C@@H](F)C(F)(F)F	278908843	QMNRLHQNESDWSG-SECBINFHSA-N	281.205	1.657	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)NCCCON	1336989973	NAZFZKMFOFESET-UHFFFAOYSA-N	280.372	1.174	10	20	CDCD	
CN(C)c1ccc(CN[C@H](C(=O)O)[C@@H]2CCCO2)cc1	1330287447	YKRARJYTOOZDLF-KBPBESRZSA-N	278.352	1.474	10	20	CDCD	
CCN(CC)c1ccc(CNC[C@H](O)C(=O)O)cc1	1332031428	CREDECBJGMUDMP-ZDUSSCGKSA-N	266.341	1.068	10	20	CDCD	
COCC[C@](C)(O)CNCc1ccc(OC)c(OC)c1O	1262361527	PUJRLYBVROBTGE-HNNXBMFYSA-N	299.367	1.287	10	20	CDCD	
CN(CC(C)(C)CO)C(=O)NCc1ccc(N)cc1	1353538757	AMPKHWVSHNKOJF-UHFFFAOYSA-N	265.357	1.429	10	20	CDCD	
C[C@@H]1CN(C(=O)c2cc(O)cs2)CC[C@@H]1C(=O)O	1603453879	NDKMLSKJIYIKLT-APPZFPTMSA-N	269.322	1.637	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@@H](N)C(C)(C)C	1576051414	BMDPWALCDQSXQR-IINYFYTJSA-N	294.395	1.909	10	20	CDCD	
CCN(CC)CC(=O)NCCc1ccc(O)c(O)c1	154002097	ZRYZVFCWOPHSAW-UHFFFAOYSA-N	266.341	1.098	10	20	CDCD	
CC[C@H](C)NC(=O)COc1ccc(N(C)C)c(C(=O)O)c1	1594992192	TZHZMBSJYHUCAB-JTQLQIEISA-N	294.351	1.744	10	20	CDCD	
CN(Cc1ccccc1O)S(=O)(=O)CC[C@H]1CCCO1	159640887	QJYPDYOBPAKFRT-CYBMUJFWSA-N	299.392	1.723	10	20	CDCD	
C[C@@H](CCS(C)(=O)=O)NCc1ccc2c(c1)CCCO2	921847400	IVYHTKOKXVMDDI-LBPRGKRZSA-N	297.420	1.924	10	20	CDCD	
CCOc1cccc(CN[C@H]2CCCCNC2=O)c1O	36977244	DSPZUPKNSRWCRE-LBPRGKRZSA-N	278.352	1.549	10	20	CDCD	
CN(CCN1CCNCC1)Cc1cc(Cl)ccc1O	71148623	GXMLPCVGPPOBTB-UHFFFAOYSA-N	283.803	1.383	10	20	CDCD	
Cc1cc(CNCc2cc(F)cc(F)c2O)n[nH]1	716450297	GPYHGQXAHIVJNC-UHFFFAOYSA-N	253.252	1.992	10	20	CDCD	
CCCN1CC[C@H](NCc2cc3c(cc2O)OCO3)C1	389283195	VDJLWWWDNFKEFT-LBPRGKRZSA-N	278.352	1.695	10	20	CDCD	
C[C@@H](NCc1nnnn1C)c1ccc(N(C)C)cc1	389312563	VCKGVTYRAVSPNQ-SNVBAGLBSA-N	260.345	1.127	10	20	CDCD	
Oc1c(F)cc(F)cc1CNCC1CC2(C1)OCCO2	922803175	UTWVUHGZWQTVCG-UHFFFAOYSA-N	285.290	1.913	10	20	CDCD	
COc1ccc(N2CCN(CCn3cccn3)CC2)cc1	64030697	RDWWUXUDELBNNL-UHFFFAOYSA-N	286.379	1.714	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N[C@@H]2CCOC2)cc1F	178754117	VZUYGLAXNQFRFB-LLVKDONJSA-N	281.331	1.480	10	20	CDCD	
CC[C@@H](CCO)CNC(=O)c1ccc(C)c(O)c1O	182591932	WPQBFXDYMDLXQN-JTQLQIEISA-N	267.325	1.545	10	20	CDCD	
CCCNC(=O)[C@H](C)N1CCOc2cc(N(C)C)ccc21	130423166	SUCIYZDBPKOKRD-LBPRGKRZSA-N	291.395	1.866	10	20	CDCD	
CC[C@@](C)(CO)NCc1cc2c(cc1O)OCO2	80886465	MXYLYANQRZKGHO-ZDUSSCGKSA-N	253.298	1.372	10	20	CDCD	
COc1cccc(CN2CCC[C@H](CCC(N)=O)C2)c1O	92660471	FZYXYQMCSGTHIV-GFCCVEGCSA-N	292.379	1.878	10	20	CDCD	
C[C@@H]1CN(c2ccc(CNC(=O)CN)cc2F)C[C@@H](C)O1	269235410	GMCPIOHTCMTWIQ-GHMZBOCLSA-N	295.358	1.014	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NC[C@H]1CCSC1	279777556	NJBKJCIJOUKUAN-JRBALWBOSA-N	279.361	1.980	10	20	CDCD	
COc1ccc(O)c([C@@H](C)N[C@H](C)Cn2cncn2)c1	273364271	BBQTUSFAZCXCEH-GHMZBOCLSA-N	276.340	1.732	10	20	CDCD	
CCN(CCOCCO)Cc1cc(F)ccc1O	282835833	VDUNVEQQXGPBIN-UHFFFAOYSA-N	257.305	1.362	10	20	CDCD	
Cc1cc(Cn2nc3ccccn3c2=O)ccc1N(C)C	292544951	BNUYRAQVARGZID-UHFFFAOYSA-N	282.347	1.919	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@H]2CCC(=O)N2C)cc1F	806685790	YSGQZYKUMXJFMV-CYBMUJFWSA-N	293.342	1.129	10	20	CDCD	
CN1CC[C@](O)(CNCc2cc(Cl)c(F)cc2O)C1	816570371	RPCCVFQQBDJAJU-ZDUSSCGKSA-N	288.750	1.341	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@@](C)(O)C1CCC1	813481627	XPNFLKINXXLDDE-HNNXBMFYSA-N	263.337	1.902	10	20	CDCD	
CCn1nc(C)c(C(=O)NCc2ccc(OC)cc2O)n1	816551199	SMCUIJMGJODJFS-UHFFFAOYSA-N	290.323	1.251	10	20	CDCD	
Cc1ccc(C(=O)OC[C@@H]2CCOC2)c(O)c1O	727004085	NLCXYRGFXDPYNC-SECBINFHSA-N	252.266	1.600	10	20	CDCD	
Cc1cc(O)c(CNCCCOCCO)cc1Cl	825475814	VXRMWMFKTGVCBP-UHFFFAOYSA-N	273.760	1.843	10	20	CDCD	
O=C(OCCNC(=O)C1CC1)c1cc(O)cs1	909004310	SRRYIONALVGEAW-UHFFFAOYSA-N	255.295	1.137	10	20	CDCD	
CC(C)COC[C@H](NCc1ccc2c(c1)CCO2)C(=O)O	904067122	PZROXIMVQQHGDQ-AWEZNQCLSA-N	293.363	1.837	10	20	CDCD	
COc1ccc(N2CC[C@@H](CN[C@@H](C)C(=O)O)C2)cc1	904250035	WQLZMQGOKWCDAV-RYUDHWBXSA-N	278.352	1.584	10	20	CDCD	
COCC1(C(=O)NCc2ccc(O)c(O)c2)CCCC1	837485257	MAQIBAQJVGMNQD-UHFFFAOYSA-N	279.336	1.921	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CC(C)=NO2)c1	830539863	AOTWBGRRZGQSDR-ZANVPECISA-N	278.308	1.743	10	20	CDCD	
Nc1ccc(CCNC(=O)[C@@H]2CNCc3ccccc32)cc1	832659196	SCEXNMRIOWILEW-QGZVFWFLSA-N	295.386	1.815	10	20	CDCD	
C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)c1cc(O)cs1	748322743	UHLYWQUPTKYMJU-ONGXEEELSA-N	268.382	1.866	10	20	CDCD	
CCn1ncc(C(=O)COC(=O)c2cc(O)cs2)n1	842075833	WHASJQCBKABPBU-UHFFFAOYSA-N	281.293	1.105	10	20	CDCD	
C[C@H](NCC[C@]1(O)CCCOC1)c1ccccc1O	846213828	KTRVIHCSPHPOCK-SWLSCSKDSA-N	265.353	1.974	10	20	CDCD	
CCCN1CC(=O)N[C@@H]1c1ccc(N(C)C)c(F)c1	840823770	CUBYYVPAAUMQJA-AWEZNQCLSA-N	265.332	1.732	10	20	CDCD	
CCCCOCCNC(=O)NCCc1ccc(N)cc1	841750858	JUMSSXYDMVKJIB-UHFFFAOYSA-N	279.384	1.927	10	20	CDCD	
COCC[C@@H](C)CNC(=O)NCc1ccc(OC)cc1O	840396536	QVXOWQIZVSZFQL-LLVKDONJSA-N	296.367	1.873	10	20	CDCD	
Nc1ccc(CCNC(=O)N[C@@H]2CCCC[C@H]2O)cc1	841957612	SOFAAPGRJVGUBS-ZIAGYGMSSA-N	277.368	1.414	10	20	CDCD	
CC[C@@H](C)CS(=O)(=O)NCCc1ccc(N)cc1	842821867	PSDQEOXGSDWRLG-LLVKDONJSA-N	270.398	1.777	10	20	CDCD	
CCOCc1cc(CNC[C@@H]2CNCCO2)ccc1OC	841098088	BXYVRJJHEHTHSJ-HNNXBMFYSA-N	294.395	1.310	10	20	CDCD	
C[C@@H]1C[C@H](NCc2nncn2C)c2c(O)ccc(F)c21	756403363	XZYVRLDTXHZZJC-SCZZXKLOSA-N	276.315	1.998	10	20	CDCD	
Nc1nc(N)nc(NCc2ccc(N3CCCC3)cc2)n1	858347349	WKGDCWVORZCASE-UHFFFAOYSA-N	285.355	1.248	10	20	CDCD	
Cc1cc(C)c([C@@H](C)NCCN2CC[C@@H](O)C2)c(O)c1	858548800	PHQSUWQXUBPPBH-ZIAGYGMSSA-N	278.396	1.726	10	20	CDCD	
CC[C@@H](N[C@@H](C)C(=O)N(C)OC)c1ccc(F)cc1O	858580917	ZQLJQRGBUVVGGC-JOYOIKCWSA-N	284.331	1.980	10	20	CDCD	
Cc1cc(O)c(CN(C)[C@@]2(CO)CCOC2)cc1C	862426938	QMUXJLPQLDAGIC-OAHLLOKOSA-N	265.353	1.592	10	20	CDCD	
CCOc1ccc(CN2CCN3C(=O)OC[C@@H]3C2)c(O)c1	769484087	UHPQKCIMSXMLTM-LBPRGKRZSA-N	292.335	1.427	10	20	CDCD	
Cc1cc(S(=O)(=O)NCCc2ccc(N)cc2)sn1	866760689	FSWWPIIIGHPVEW-UHFFFAOYSA-N	297.405	1.555	10	20	CDCD	
O=C1CN(Cc2cc(Br)ccc2O)CCCN1	769109737	UFXCOYCWVFWJDI-UHFFFAOYSA-N	299.168	1.477	10	20	CDCD	
CN(C)c1ccc(CNCCc2ccn(C)n2)cc1F	760632625	JKWCAVBNUJTWLO-UHFFFAOYSA-N	276.359	1.958	10	20	CDCD	
CON1CCC(NCc2ccc(C)cc2O)CC1	877597028	XVAAXFNUEKDEMB-UHFFFAOYSA-N	250.342	1.816	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)C(=O)NC1CCC1	1118684466	ZIVCSENUCDCZTF-UHFFFAOYSA-N	262.309	1.019	10	20	CDCD	
Cc1cccc(O)c1CNCc1nc([C@@H]2CCCO2)n[nH]1	877617106	KNFIISOBEZKKFH-ZDUSSCGKSA-N	288.351	1.960	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@]1(C)CCOC1	773769204	QVYSZWBAJBNADT-MEBBXXQBSA-N	279.336	1.572	10	20	CDCD	
Cc1cccc(O)c1CN1CCN(C(C)(C)CO)CC1	876744390	CICFQXSSMNVUNT-UHFFFAOYSA-N	278.396	1.589	10	20	CDCD	
CC1(C)C(=O)NCCN1Cc1cc(Cl)cc(F)c1O	775677813	QZKXCRHSTSMZSV-UHFFFAOYSA-N	286.734	1.895	10	20	CDCD	
COc1cc(C)cc(CN2CCn3nc(C)nc3C2)c1O	894030462	HVBOEPSJSLIPBQ-UHFFFAOYSA-N	288.351	1.625	10	20	CDCD	
COc1ccc(CN2CCCN(C=O)CC2)c(O)c1OC	895473820	RRXCMROXHFRLBC-UHFFFAOYSA-N	294.351	1.074	10	20	CDCD	
COc1cc(C)cc(CN[C@@H]2CC(=O)N(C3CC3)C2)c1O	894397799	RSOAGBDYBSPSJZ-GFCCVEGCSA-N	290.363	1.562	10	20	CDCD	
Cc1ccc(O)c([C@@H](C)N[C@H](C)C(=O)N(C)C)c1	36794391	ABBNFGIPYQAQHJ-GHMZBOCLSA-N	250.342	1.828	10	20	CDCD	
C[C@H](C[C@H]1COCCN1)NCc1ccc(N(C)C)cc1	133463250	CWVRVQKUUCOCOW-HIFRSBDPSA-N	277.412	1.609	10	20	CDCD	
Cc1ccc(O)c(CN2CCN(C(=O)N(C)C)CC2)c1	133631397	MNROVJOPNMXYRP-UHFFFAOYSA-N	277.368	1.500	10	20	CDCD	
C[C@H]1C[C@@H](C(=O)NCCc2ccc(O)c(O)c2)CCO1	272122319	ZZMNZCSWYVQZIJ-JQWIXIFHSA-N	279.336	1.572	10	20	CDCD	
Oc1c(F)cc(F)cc1CN1CCc2c[nH]nc2C1	1331552297	GDJJVCWKCJNWTE-UHFFFAOYSA-N	265.263	1.952	10	20	CDCD	
Nc1ccc(CNC(=O)N2CC[C@H](n3cccn3)C2)cc1	1337070020	GHUVSFCZRDBDPJ-AWEZNQCLSA-N	285.351	1.622	10	20	CDCD	
CCc1nc(C(=O)NCc2cccc(O)c2O)c(C)o1	1528770959	IGTJCPQPGCKKLP-UHFFFAOYSA-N	276.292	1.887	10	20	CDCD	
O=C1NC(=S)S/C1=C\c1ccc(C(=O)O)o1	1602655991	JPBPXHNHDFUUQI-UTCJRWHESA-N	255.276	1.467	10	20	CDCD	
C[C@]1(CN)CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1	1576502865	IMCADULDEBJXMZ-CQSZACIVSA-N	289.339	1.660	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC[C@H]1CCC2(CNC2)O1	1579617630	RDBVICFGUBGJGE-MRXNPFEDSA-N	289.423	1.672	10	20	CDCD	
C[C@H](N[C@H](CO)CC1CC1)c1cc(C(=O)O)ccc1O	1593207875	FDAKYOXBIUVRDA-CABZTGNLSA-N	279.336	1.902	10	20	CDCD	
O=C(O)[C@@H](NCc1ccc(N2CC[C@H](O)C2)cc1)C1CC1	1777591863	HIQNWHQQHHRYSD-GJZGRUSLSA-N	290.363	1.210	10	20	CDCD	
CN(c1ccc(/C=C/C(=O)O)cc1[N+](=O)[O-])[C@H]1CCOC1	160156004	LIMGUBUBWHNJTG-TZNOJPMFSA-N	292.291	1.918	10	20	CDCD	
O=S(=O)(CCNCc1ccc2c(c1)CCCO2)C1CC1	922184370	FBAMXUJMOOZJOA-UHFFFAOYSA-N	295.404	1.678	10	20	CDCD	
COc1cccc(CNC[C@H]2CCCNC2=O)c1O	839196977	ZAGOEYYYTQPEPN-LLVKDONJSA-N	264.325	1.017	10	20	CDCD	
C[C@H](N)[C@H](C)C(=O)N(C)Cc1ccc(N(C)C)cc1	156541005	FEOQWTPXZOAUPW-RYUDHWBXSA-N	263.385	1.694	10	20	CDCD	
Nc1ccc(CC(=O)N[C@@H]2CCN3CCCC[C@H]23)cc1	37023766	OKOZGXCUJNMHTE-HUUCEWRRSA-N	273.380	1.554	10	20	CDCD	
CS(=O)(=O)[C@@H]1CCCN(Cc2cc(F)ccc2O)C1	274128772	ORYBQCPJBCDWSH-GFCCVEGCSA-N	287.356	1.540	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC[C@]2(O)CCSC2)c1	185638638	KOMBBFOKVMFHOA-IINYFYTJSA-N	283.393	1.919	10	20	CDCD	
Cc1ccc(O)c([C@H](C)N[C@H]2CCN(S(C)(=O)=O)C2)c1	400218477	WDCXXSPEZJINCP-RYUDHWBXSA-N	298.408	1.385	10	20	CDCD	
CCCNC(=O)CCNCc1cc(F)cc(F)c1O	708516684	KBKCUICVPJIENU-UHFFFAOYSA-N	272.295	1.676	10	20	CDCD	
CCOC(=O)CCCNC(=O)c1cccc(O)c1O	126445204	HCNJCRSICXUPRR-UHFFFAOYSA-N	267.281	1.171	10	20	CDCD	
CCOc1ccc(O)c(CN2CCN(C)C(=O)C2)c1	127398391	PJHSLTQCXOXFJJ-UHFFFAOYSA-N	264.325	1.065	10	20	CDCD	
Cc1ccc(C(=O)N2CCOCC2(C)C)c(O)c1O	182223410	HQNYAQBJXPGIAB-UHFFFAOYSA-N	265.309	1.657	10	20	CDCD	
Cc1ccc(C(=O)N[C@H](C)c2nc[nH]n2)c(O)c1O	182534069	FBPFNWXTNYKUFP-SSDOTTSWSA-N	262.269	1.015	10	20	CDCD	
C[C@H](CNC(=O)NCc1ccc(N(C)C)cc1)C[C@@H](C)O	133899188	GWCUIEIUHPUONP-QWHCGFSZSA-N	293.411	1.959	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)Nc1cccnc1	80798118	NDTWYOSTOYPAQF-UHFFFAOYSA-N	259.265	1.815	10	20	CDCD	
Cc1cccc(CN2C[C@H](C)O[C@H](CO)C2)c1O	191519772	FYDWHSXQRZHUSY-AAEUAGOBSA-N	251.326	1.282	10	20	CDCD	
CC[C@@H](NC[C@@H]1COCCN1)c1ccc(C)cc1O	530222525	FZOPDYZHXIIFOK-TZMCWYRMSA-N	264.369	1.730	10	20	CDCD	
COC(=O)COc1ccc(N(C)Cc2ccno2)cc1	273074739	JXZWNSSCSSZLND-UHFFFAOYSA-N	276.292	1.863	10	20	CDCD	
CCOC(=O)CN(C)Cc1ccc([N+](=O)[O-])c(OC)c1O	278289146	UQMPQDWLUUZQOE-UHFFFAOYSA-N	298.295	1.304	10	20	CDCD	
O=C(NC1CC1)N[C@H]1CCN(Cc2cc(F)ccc2O)C1	273718696	HSCXLFQZHFXASA-ZDUSSCGKSA-N	293.342	1.567	10	20	CDCD	
O=C(N[C@@H]1CCC[C@@H]1CCO)c1c(F)ccc(O)c1O	295726816	LOVMURWFEYSFRQ-PSASIEDQSA-N	283.299	1.518	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)CCn1cncn1	808095999	ZSVCGGAMTPQIIV-UHFFFAOYSA-N	295.339	1.176	10	20	CDCD	
C[C@H](NC[C@@H]1CNCCO1)c1cc2c(cc1O)CCCC2	817982353	CLUCYAHHTOEGLO-WFASDCNBSA-N	290.407	1.910	10	20	CDCD	
C[C@H](NCC(C)(C)N)c1cc([N+](=O)[O-])ccc1O	817959702	GYPVMTWHMMXZKH-QMMMGPOBSA-N	253.302	1.688	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)c1cc2ncccn2n1	816889080	LXTABGSSDCJMOR-UHFFFAOYSA-N	282.303	1.707	10	20	CDCD	
CCOc1ccc(CN[C@@H]2CCN(C)C2)c(O)c1	729682583	WBGGDUGZICEJED-GFCCVEGCSA-N	250.342	1.585	10	20	CDCD	
COC[C@@]1(CO)CCN(Cc2cc(Cl)ccc2O)C1	825158707	WWFHQOLAWHEPEF-AWEZNQCLSA-N	285.771	1.876	10	20	CDCD	
COc1ccc(O)c(CNC[C@H](CO)CC2CC2)c1	827359096	INSYJXGDUFUXMV-GFCCVEGCSA-N	265.353	1.899	10	20	CDCD	
CN(Cc1ccc(-c2nn[nH]n2)o1)Cc1ccccc1O	825962364	YBIYMGYOQKQSGB-UHFFFAOYSA-N	285.307	1.797	10	20	CDCD	
O=C(O)[C@@H]1CCCN(C(=O)c2cc(O)cs2)C1	738538888	XWLRFSNKKFHOIJ-SSDOTTSWSA-N	255.295	1.391	10	20	CDCD	
COc1cc2c(c(OC)c1)N(Cc1nc(O)n[nH]1)CCC2	839654948	CRYCQZBLKBLNBB-UHFFFAOYSA-N	290.323	1.480	10	20	CDCD	
CCC[C@H](CNC(=O)c1c(F)ccc(O)c1O)OC	833369540	BVWYHGQZCDKLHF-MRVPVSSYSA-N	271.288	1.782	10	20	CDCD	
COCCC1(C(=O)NCc2ccc(O)cc2O)CCC1	910950094	CAPVAWYSUQVPJO-UHFFFAOYSA-N	279.336	1.921	10	20	CDCD	
COc1ccc(CNC(=O)NC[C@@H](OC)C2CC2)c(O)c1	836492121	YNPSNLKEGJPVCT-CQSZACIVSA-N	294.351	1.625	10	20	CDCD	
O=C1NCCC[C@H]1CNCc1c(O)ccc(Cl)c1F	839195025	FELHMQYTSSWKAK-QMMMGPOBSA-N	286.734	1.801	10	20	CDCD	
CCOCCCC(=O)NCc1ccc(O)cc1O	910951183	DSLKDYMEDBFUPU-UHFFFAOYSA-N	253.298	1.531	10	20	CDCD	
CCN1C(=O)/C(=C\c2cnnn2CC)SC1=S	841487229	KHAIGMYDTZZABE-VMPITWQZSA-N	268.367	1.519	10	20	CDCD	
C[C@H]1C[C@@H](NCc2cc([N+](=O)[O-])ccc2O)CCN1C	742375088	NFILPNGATHTHCY-JQWIXIFHSA-N	279.340	1.873	10	20	CDCD	
C[C@@H]1CC[C@H](C(=O)O)N1Cc1cc(F)ccc1O	844933644	GTMGERWPBDRTIJ-LDYMZIIASA-N	253.273	1.969	10	20	CDCD	
CCC[C@H]1CNCCN1Cc1cccc(OC)c1O	843057986	JWYDQQKJBBFKLP-ZDUSSCGKSA-N	264.369	1.975	10	20	CDCD	
CCOC(=O)[C@@H](C)[C@@H](C)NC(=O)Cc1ccc(N)cc1	843494748	WYIXDDSQMOHXAF-WDEREUQCSA-N	278.352	1.515	10	20	CDCD	
COC(=O)[C@H](CNC(=O)c1cccc(O)c1O)CC1CC1	846458091	QOAUZBZCXYPIQV-JTQLQIEISA-N	293.319	1.417	10	20	CDCD	
CC[C@H]1CN(C)CCN1C(=O)c1cc(O)cs1	854666506	CBMSIKHBZDKLJV-VIFPVBQESA-N	254.355	1.620	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC[C@H]2CCC(=O)O2)c1	851900339	SIKPWLDRIYKKER-MWLCHTKSSA-N	265.309	1.757	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCC(N2CCOC2=O)CC1	856289748	KLIPWBZZGPOAPD-UHFFFAOYSA-N	296.348	1.511	10	20	CDCD	
CCN1CCC(NC(=O)NCc2cc(C)ccc2O)CC1	858272311	FNDLBMFDSWYZML-UHFFFAOYSA-N	291.395	1.984	10	20	CDCD	
COC(=O)[C@@H]1CN(C(=O)c2cc(O)cs2)C[C@H]1C	755867640	SUVSVQQJFKIBHZ-VXNVDRBHSA-N	269.322	1.335	10	20	CDCD	
CC1(C)CCN(C(=O)c2cc(O)cs2)CC[S@@]1=O	854847286	XBZPYBOYSSAKBH-SFHVURJKSA-N	287.406	1.827	10	20	CDCD	
COC[C@@H]1CCCN1NC(=O)c1ccc(C)c(O)c1O	862594451	FKINORQUSZJOLR-JTQLQIEISA-N	280.324	1.162	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)c2c(CO)noc2C)c1	862755057	BPEDEROZQFHKFF-UHFFFAOYSA-N	276.292	1.419	10	20	CDCD	
C[C@@H](N[C@H](CO)CC(F)F)c1cc([N+](=O)[O-])ccc1O	760041248	XIETWLFTAWTHJL-SFYZADRCSA-N	290.266	1.967	10	20	CDCD	
Cc1ccc(CNCCN2CCCOCC2)c(O)c1	877527665	NHTQIIJWXRKURN-UHFFFAOYSA-N	264.369	1.513	10	20	CDCD	
COC(=O)C[C@]1(NCc2cccc(C)c2O)CCCOC1	770674794	MKEGMEQYFZGLCR-MRXNPFEDSA-N	293.363	1.903	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NCCc1ncc[nH]1	779514849	OIJFJUWEAHCICH-DUXPYHPUSA-N	273.292	1.193	10	20	CDCD	
CCS(=O)(=O)CC(=O)N[C@@H](C)c1ccc(N(C)C)cc1	773015493	PAYWOODPZPUDOR-NSHDSACASA-N	298.408	1.365	10	20	CDCD	
CCN(CCO)CCNCc1cc(F)cc(F)c1O	883089873	WHLLJOOWJLUZDA-UHFFFAOYSA-N	274.311	1.074	10	20	CDCD	
COc1ccc(O)c(CNC(=O)C2(OC)CCOCC2)c1	786408770	HQJFTUUSCUOFPZ-UHFFFAOYSA-N	295.335	1.213	10	20	CDCD	
NCc1cn([C@@H]2CCCN(Cc3ccc(N)cc3)C2)nn1	1120371230	CJVPZPKMHKLPHR-OAHLLOKOSA-N	286.383	1.156	10	20	CDCD	
CCOC(=O)[C@@H]1CCN(Cc2cc3c(cc2O)OCO3)C1	896962310	KSDYPGNESDTDBI-SNVBAGLBSA-N	293.319	1.506	10	20	CDCD	
C[C@H]1CO[C@H](CO)CN1Cc1cc(F)cc(F)c1O	894095424	QIKURFMDCPROAV-KWQFWETISA-N	273.279	1.252	10	20	CDCD	
COc1ccc(O)c(CN2CCc3ncncc3C2)c1	895723589	XZNWRXKIRSNHRZ-UHFFFAOYSA-N	271.320	1.749	10	20	CDCD	
Cc1cc(NC(=O)c2cccc(O)c2O)cn(C)c1=O	790895343	RGQMJLJXMSZOTK-UHFFFAOYSA-N	274.276	1.357	10	20	CDCD	
CS(=O)(=O)CCNCc1cc(Cl)cc(Cl)c1O	37740532	OMXFKQZWTZLLGS-UHFFFAOYSA-N	298.191	1.833	10	20	CDCD	
C[C@@H](NCCN1CCC(CO)CC1)c1ccc(F)cc1O	1321023211	LJTLUAPYDANYRC-GFCCVEGCSA-N	296.386	1.886	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CCCCN	70202401	UGZXVEXSMZSUHZ-UHFFFAOYSA-N	263.385	1.840	10	20	CDCD	
C[C@H]1CC[C@@H](NC(=O)C(=O)NCCc2ccc(N)cc2)C1	1349804454	ZDSRAZDZVDSDKN-SMDDNHRTSA-N	289.379	1.232	10	20	CDCD	
CC1(C)OC[C@H]2C[C@@]21C(=O)NCc1cccc(O)c1O	1352669175	HIJCOKJQBGUFIT-BMIGLBTASA-N	277.320	1.529	10	20	CDCD	
CCCCN(Cc1ccccc1O)C[C@](C)(O)C(=O)O	1609970197	DNJUALYZIJIIMS-HNNXBMFYSA-N	281.352	1.830	10	20	CDCD	
O=C(O)[C@H]1C[C@H](O)CN1Cc1c(O)ccc(Cl)c1F	1601771542	FZHIUCYHXRURIX-IMTBSYHQSA-N	289.690	1.205	10	20	CDCD	
COC(=O)C(C)(C)CNCc1ccc2c(c1)CCO2	119550099	LCSUHZCSLJGHHY-UHFFFAOYSA-N	263.337	1.910	10	20	CDCD	
O=C(O)c1cnc(S[C@@H]2CCCNC2=O)s1	1610863390	WXFGLRXSLKNSOE-RXMQYKEDSA-N	258.324	1.212	10	20	CDCD	
CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@H]1C[C@H](N)C1	1578489984	ZNWDELNZYLCOFW-SHTZXODSSA-N	287.407	1.983	10	20	CDCD	
Nc1ccc(CC(=O)NC2(c3ccccc3)COC2)cc1	1580443165	UJRPDXMKLKESGD-UHFFFAOYSA-N	282.343	1.853	10	20	CDCD	
C[C@@H](N[C@H]1C[C@@H](C(N)=O)C1)c1cc(C(=O)O)ccc1O	1593360478	RXARYTIPDFRNKW-QNSHHTMESA-N	278.308	1.005	10	20	CDCD	
COc1cc(CN2CCOC[C@@H]2C)c(O)cc1C	159775998	ROVNENJHPJQOHI-NSHDSACASA-N	251.326	1.930	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@H]2CCCNCC2)cc1	846673199	QOCGFKGSJYLRHB-CQSZACIVSA-N	275.396	1.759	10	20	CDCD	
Oc1ccccc1CN1CCN([C@@H]2CCOC2)CC1	827119122	IJMCOAAIANOLKE-CQSZACIVSA-N	262.353	1.299	10	20	CDCD	
Oc1cc2c(cc1CNC[C@@H]1CCC[C@H](O)C1)OCO2	230667411	ATGKNDLAMUYFSB-PWSUYJOCSA-N	279.336	1.762	10	20	CDCD	
CC[C@H]1CN(Cc2cc(F)cc(C(C)=O)c2O)C[C@@H]1O	270820434	BEJBPDCUUKRDHQ-HZMBPMFUSA-N	281.327	1.937	10	20	CDCD	
CC[C@@H](NCCCC(=O)NC)c1ccccc1O	274939969	SRJYAVRBBDLKKV-GFCCVEGCSA-N	250.342	1.959	10	20	CDCD	
COc1ccc(O)c([C@H](C)NCC2(CO)COC2)c1	182325798	WZIYGTDQVBVGKC-JTQLQIEISA-N	267.325	1.060	10	20	CDCD	
CC(=O)NCCCN[C@@H](C)c1ccc(F)cc1O	184921663	JELRVZSGETXVDQ-VIFPVBQESA-N	254.305	1.708	10	20	CDCD	
COc1ccc(CN[C@@H]2CCCS(=O)(=O)C2)c(O)c1	69140885	JHFXXYDQZDFIBY-LLVKDONJSA-N	285.365	1.068	10	20	CDCD	
CNC(=O)C[C@H](C)N[C@H](C)c1cc(C)ccc1O	322730770	VJBSFWGHVAODHH-WDEREUQCSA-N	250.342	1.876	10	20	CDCD	
CO[C@H]1CCCN(C(=O)Cc2ccc(N)cc2)CC1	692074104	SUTNHCGGGHEEBM-AWEZNQCLSA-N	262.353	1.839	10	20	CDCD	
COc1cccc(CNCC2CC3(C2)OCCO3)c1O	922798670	LHAXTQMUYJZBNE-UHFFFAOYSA-N	279.336	1.644	10	20	CDCD	
CN1CCN(Cc2ccc(N3CCOCC3)cc2)CC1	112119316	VMDYFFBSLIXCQC-UHFFFAOYSA-N	275.396	1.271	10	20	CDCD	
CCOC[C@@H]1CN(Cc2c(O)cccc2OC)CCO1	862501966	YHYBDTZDWCMABQ-LBPRGKRZSA-N	281.352	1.638	10	20	CDCD	
Nc1ccc(CCNC(=O)C(F)(F)C(F)F)cc1	179042744	KVKSZMNMVBFWKO-UHFFFAOYSA-N	264.222	1.828	10	20	CDCD	
NC(=O)[C@@H]1CCCCN1Cc1cccc(Cl)c1O	179581794	PSFPTDMOPPFRJL-NSHDSACASA-N	268.744	1.885	10	20	CDCD	
O=C(NC[C@H](O)C1CCCCC1)c1cccc(O)c1O	187070582	PDAZTOLTWGERCH-ZDUSSCGKSA-N	279.336	1.769	10	20	CDCD	
Oc1cc2c(cc1CNCCCCn1ccnc1)OCO2	45106435	DQYHLFWRYADGDP-UHFFFAOYSA-N	289.335	1.887	10	20	CDCD	
CC(C)(CC(=O)O)CC(=O)NCc1ccccc1O	228402210	WLJPIACKYNVRMF-UHFFFAOYSA-N	265.309	1.899	10	20	CDCD	
C[C@H](CC[S@@](C)=O)NCc1cc(F)ccc1O	226615460	JLXAOZBMJIHEPA-VVVCHXIZSA-N	259.346	1.778	10	20	CDCD	
COC[C@@H](C)CC(=O)NCCc1ccc(N)cc1	95033986	CVKYNIVPPJIOJX-NSHDSACASA-N	250.342	1.600	10	20	CDCD	
CC(C)[C@H]1C(=O)NCCN1Cc1ccc(N(C)C)cc1	93054398	CETIEJGSYTZVAP-HNNXBMFYSA-N	275.396	1.709	10	20	CDCD	
C[C@@H](NCC(C)(C)C(N)=O)c1ccc(N(C)C)cc1	183640935	JDTLTOOZUZJFQR-LLVKDONJSA-N	263.385	1.915	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)[C@@H]1C[C@H]2CC[C@H]1O2	269110994	RGZRHNHQKHKEBY-GIPNMCIBSA-N	263.293	1.282	10	20	CDCD	
Nc1ccc(CC(=O)N2CCC(c3ncc[nH]3)CC2)cc1	269245062	LRLYRMKAVMSXFN-UHFFFAOYSA-N	284.363	1.941	10	20	CDCD	
COc1ccc(CN[C@]2(CCO)CCOC2)cc1C	278541129	XJWUVEHYEDTPTJ-OAHLLOKOSA-N	265.353	1.635	10	20	CDCD	
C[C@H](NC[C@H](C)N(C)C)c1cc([N+](=O)[O-])ccc1O	273599744	RSNMVBLUBPUDPO-UWVGGRQHSA-N	267.329	1.901	10	20	CDCD	
COc1ccc(O)c(CN2CCn3nc(C)nc3C2)c1	271827186	OGRFHCXORHUPPH-UHFFFAOYSA-N	274.324	1.317	10	20	CDCD	
OCC[C@@]1(NCc2cccc(Cl)c2O)CCOC1	278142700	ABESJLRFWKIDNB-CYBMUJFWSA-N	271.744	1.677	10	20	CDCD	
Cn1cc2c(n1)CCC[C@H]2NC(=O)c1cccc(O)c1O	282545347	RWILNQWCNOCVMM-LLVKDONJSA-N	287.319	1.639	10	20	CDCD	
Cc1cc(C)c([C@@H](C)NC[C@]2(O)CCOC2)c(O)c1	294911964	WOAFGCRPZUIHNT-IUODEOHRSA-N	265.353	1.811	10	20	CDCD	
OC[C@@H]1CC[C@H](NCc2cc3c(cc2O)OCO3)C1	295051746	NNGFXNKZKLHWJE-KOLCDFICSA-N	265.309	1.372	10	20	CDCD	
Cn1cncc1CC(=O)NCCCSc1nccs1	806851646	VLZHWFSGZSJVFD-UHFFFAOYSA-N	296.421	1.718	10	20	CDCD	
CCOc1cccc(CN2CC(=O)N[C@H](C)C2)c1O	295099733	USQNMOMJAWZRLD-SNVBAGLBSA-N	264.325	1.111	10	20	CDCD	
Cc1nocc1CNCc1cc([N+](=O)[O-])ccc1O	815121625	AEPBPWYVLSODAJ-UHFFFAOYSA-N	263.253	1.887	10	20	CDCD	
C/C(=C\C(=O)N1CCCc2ccnc(O)c21)c1cnccn1	823804512	QJSWJTCQGOLQMT-PKNBQFBNSA-N	296.330	1.960	10	20	CDCD	
COc1cccc(O)c1CN1CC[C@H](N2CCOC2=O)C1	826994572	KWHUXCXVIJIRND-NSHDSACASA-N	292.335	1.427	10	20	CDCD	
COC(=O)c1cnc(SCc2cncn2C)s1	829681228	RISVVPSFNKMDBP-UHFFFAOYSA-N	269.351	1.956	10	20	CDCD	
COc1cccc(O)c1CN[C@H]1C[C@H](C(=O)OC)C1	827812273	IBRNUAVJZZWFDD-MGCOHNPYSA-N	265.309	1.442	10	20	CDCD	
O=C(Cn1cncn1)NCCCSc1nccs1	733879123	KUNGTIFRATVFGS-UHFFFAOYSA-N	283.382	1.033	10	20	CDCD	
CN(C)c1ccc(CN[C@@H]2C[C@H]3CCCCN3C2=O)cc1	835075357	WYOZNEARKHWDAX-HZPDHXFCSA-N	287.407	1.996	10	20	CDCD	
Cc1ccc(O)c(CNC2CCN(C(=O)O)CC2)c1	738287701	RTRSMPSDCHUIEF-UHFFFAOYSA-N	264.325	1.933	10	20	CDCD	
CCN(C)c1ccc(CN2CC[C@@H](O)[C@@H](CO)C2)cc1	839665040	GIYRMOQGITZBDP-GDBMZVCRSA-N	278.396	1.318	10	20	CDCD	
COC(=O)NCCC(=O)N(C)Cc1ccc(N(C)C)cc1	730769260	COWFGVXMZIBMTO-UHFFFAOYSA-N	293.367	1.457	10	20	CDCD	
CC(C)(C)[C@H](O)C(=O)OCC(=O)c1ccc(O)c(O)c1	732718768	DZRHILPIFBGOCE-GFCCVEGCSA-N	282.292	1.231	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)NC1(CCO)CC1	838480741	ZWESZYBBOVGINA-UHFFFAOYSA-N	291.395	1.775	10	20	CDCD	
Cc1ccc(C(=O)N2O[C@H]3C=C[C@H]2CC3)c(O)c1O	831521455	ZXBSOHQTOIIBFI-UWVGGRQHSA-N	261.277	1.881	10	20	CDCD	
CCC(=O)C1(C(=O)NCc2ccc(O)cc2O)CC1	910943457	CYBLYUUOBIBRHI-UHFFFAOYSA-N	263.293	1.473	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@H]2CCCCN2C)cc1	732258307	RMDDXFYHPPTWSL-OAHLLOKOSA-N	275.396	1.853	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@]1(F)CCNC1	843487869	KXPPQCXJHVHWSL-MRXNPFEDSA-N	293.386	1.803	10	20	CDCD	
C[C@H](C(=O)NCc1ccc(O)c(O)c1)C(=O)OC(C)(C)C	840403211	RYLFIWXCPWVJEJ-SECBINFHSA-N	295.335	1.692	10	20	CDCD	
Cc1nonc1CC(=O)NCc1cc(Cl)ccc1O	846477530	RVMVIBUIZGOCEU-UHFFFAOYSA-N	281.699	1.596	10	20	CDCD	
C[C@H]1C[C@@H](C)CN1C(=O)C(=O)Nc1ccc(N)cc1	841046867	QAALJWBAJBJFLL-ZJUUUORDSA-N	261.325	1.464	10	20	CDCD	
Oc1ccc(Br)cc1CNC[C@H]1CCCN1	841034506	DQSFCOHUNVMXGT-LLVKDONJSA-N	285.185	1.996	10	20	CDCD	
CNC(=O)N1CCN(Cc2c(O)cccc2Cl)CC1	271182054	KETSYBCDNHJPJH-UHFFFAOYSA-N	283.759	1.503	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NCC(F)(F)CN)cc1	841654007	LKHCSAKGEYINKS-UHFFFAOYSA-N	286.326	1.146	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)NC[C@@]1(C)CCCNC1	841970227	KOELUOOXQNCTOX-INIZCTEOSA-N	291.395	1.923	10	20	CDCD	
C[C@H]1C[C@@H](CN)CN1C(=O)NCc1ccc(N(C)C)cc1	841654031	LYIGJCBVUWMDQJ-JSGCOSHPSA-N	290.411	1.631	10	20	CDCD	
COc1ccc(N2CCC(NC[C@@H](N)C3CC3)CC2)cc1	841050673	KBMAGTWFLLQSGO-QGZVFWFLSA-N	289.423	1.991	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](C(=O)O)C(C)C)c1	843329097	WPBLIEYXLVPCIC-RNCFNFMXSA-N	295.335	1.935	10	20	CDCD	
OC[C@@H](O)CN(Cc1ccccc1O)C1CCCC1	929635838	PYEVTTVNHVWLMK-AWEZNQCLSA-N	265.353	1.490	10	20	CDCD	
C[C@H](NC(=O)NC[C@H]1CCN1C)c1ccc(N(C)C)cc1	922055265	OGTAQPLCLBKDRX-SWLSCSKDSA-N	290.411	1.817	10	20	CDCD	
CCN[C@H](C)CNCc1ccc(N2CCOCC2)cc1	841064430	BEWBZPFFQMDDGB-CQSZACIVSA-N	277.412	1.611	10	20	CDCD	
c1cnc(CNCc2ccc(N3CCOCC3)cc2)cn1	856766852	DGGFMTKYWJHNIA-UHFFFAOYSA-N	284.363	1.603	10	20	CDCD	
CC[C@@H](CN1CCOCC1)NCc1ccc2c(c1)CCO2	922588794	BMSKJVYVJDQQLF-INIZCTEOSA-N	290.407	1.822	10	20	CDCD	
OC1CCN(c2ccc(CNCc3cocn3)cc2)CC1	850406845	WMABGEDKBLZDHX-UHFFFAOYSA-N	287.363	1.926	10	20	CDCD	
CCOC(=O)CCCNC(=O)NCc1cc(C)ccc1O	858115724	JDUTWMUGKLUEDX-UHFFFAOYSA-N	294.351	1.843	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)N[C@@H](C)C2(CO)CC2)c1	850517498	VMKWGVOZXYWAQR-MNOVXSKESA-N	293.363	1.990	10	20	CDCD	
C[C@@H]1OCC[C@@H]1COC(=O)c1cccc(O)c1O	869476481	CSKRGELXDRCAMF-DTWKUNHWSA-N	252.266	1.680	10	20	CDCD	
CN1CC[C@H](N(C)Cc2cc3c(cc2O)CCCC3)C1=O	768445747	IWAAARIILVKRDM-HNNXBMFYSA-N	288.391	1.934	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCC(O)(C(F)(F)F)CC1	760901678	NXDBIJVUXKXQNI-UHFFFAOYSA-N	295.282	1.983	10	20	CDCD	
O=C(NCC(=O)C1CCCC1)c1cc(O)cs1	863057567	COCUIFWVKQMMHP-UHFFFAOYSA-N	253.323	1.943	10	20	CDCD	
COc1cccc(O)c1CN(C)CC1(O)CCC1	761220214	WPLYZVCAMISDOU-UHFFFAOYSA-N	251.326	1.748	10	20	CDCD	
OCCOCCOc1ccc(N2CCCC2)cc1	763420193	OCEOAFOXZIWXER-UHFFFAOYSA-N	251.326	1.675	10	20	CDCD	
COc1cccc(CNC(=O)/C=C/SC)c1O	769508114	RGYAJQDAROOXLE-VOTSOKGWSA-N	253.323	1.894	10	20	CDCD	
C[C@H]1CN(C(=O)CN[C@H](C)c2ccccc2O)CCO1	879647613	GDOQPVCURCIREY-NWDGAFQWSA-N	278.352	1.290	10	20	CDCD	
CCOc1ccc(CN(CCO)C2CC2)c(O)c1	768330462	SPKBZCRPXNQONJ-UHFFFAOYSA-N	251.326	1.748	10	20	CDCD	
Cc1ccc(CN2CCc3nn(C)c(=O)cc3C2)c(O)c1	876777582	XTSOMCPUXAXKDA-UHFFFAOYSA-N	285.347	1.353	10	20	CDCD	
Oc1ccc(F)cc1CN[C@@]12CCC[C@H]1NCC2	873229927	IYHONMDRUUPOFN-ZIAGYGMSSA-N	250.317	1.906	10	20	CDCD	
CCOC(=O)N1CCN(Cc2ccc(C)cc2O)CC1	876527097	RNKSNKJFRNCOMU-UHFFFAOYSA-N	278.352	1.975	10	20	CDCD	
COc1cc(C)cc(CN2CCN(C)C(=O)C2(C)C)c1O	1119443873	VMKDDIVBRXZFBM-UHFFFAOYSA-N	292.379	1.762	10	20	CDCD	
COC(=O)NC(C)(C)C(=O)N(C)c1ccc(N)cc1	877078277	KPVUNGPIYXSBGC-UHFFFAOYSA-N	265.313	1.366	10	20	CDCD	
Cc1cccc(O)c1CN1CCC[C@H](CS(C)(=O)=O)C1	877548606	NPIXPZVZXRGHBN-ZDUSSCGKSA-N	297.420	1.957	10	20	CDCD	
CN(C)c1ccc(CN2C(=O)N[C@](C)(C3CC3)C2=O)cc1	777557094	DKMNRQLAZFHYAR-MRXNPFEDSA-N	287.363	1.973	10	20	CDCD	
CN(C)c1ccc(Cn2cc(C(C)(C)O)nn2)cc1	881272505	YBJOIZSNGXEVMD-UHFFFAOYSA-N	260.341	1.620	10	20	CDCD	
CN(C[C@H](O)C1CC1)C(=O)/C=C/c1ccc(O)c(O)c1	779529852	VXOAYZAKOVVVQX-RRFAQUSLSA-N	277.320	1.340	10	20	CDCD	
COc1cccc(O)c1CN1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O	787424193	POVVDFWCYQWMTK-PGUXBMHVSA-N	290.363	1.487	10	20	CDCD	
CCNC(=O)[C@H](C)NCc1cc(C)cc(OC)c1O	894380818	AFZZRGPLKIWUOV-JTQLQIEISA-N	266.341	1.323	10	20	CDCD	
COc1cc(C)cc(CNC[C@@H](C)N(C)C)c1O	894391089	DXWSAKAHDAKYAP-LLVKDONJSA-N	252.358	1.749	10	20	CDCD	
COc1ccc(CN[C@H](C)c2cnn(C)c2)c(O)c1OC	893031701	DSOUCQMPPCFVKI-SNVBAGLBSA-N	291.351	1.994	10	20	CDCD	
COC[C@H]1CN(Cc2c(O)cccc2OC)C[C@@H](C)O1	784668626	SBQMTUYXAZESGX-VXGBXAGGSA-N	281.352	1.637	10	20	CDCD	
COc1cc(C)cc(CN2C[C@H]3C[C@]3(CO)C2)c1O	894533408	IRGIQDVGVLURSM-IUODEOHRSA-N	263.337	1.523	10	20	CDCD	
CN(C)c1ccc(CN[C@@H]2C(=O)NCC2(C)C)cc1F	895317600	XPUZQOXGXWGPTM-CYBMUJFWSA-N	279.359	1.506	10	20	CDCD	
OC[C@@H]1CSCCN1Cc1cc(F)cc(F)c1O	895470591	LXMSWIRSDFKLNS-SNVBAGLBSA-N	275.320	1.580	10	20	CDCD	
COc1cc(C)cc(CNCCC(=O)N(C)C)c1O	894210708	JHUZTVRCQYATAV-UHFFFAOYSA-N	266.341	1.277	10	20	CDCD	
O=C1NCCc2ccc(NC(=O)c3cccc(O)c3O)cc21	790739713	KBMHQAMOPMWBDA-UHFFFAOYSA-N	298.298	1.636	10	20	CDCD	
COc1cccc(CNC[C@@H](CO)[C@@H]2CCOC2)c1O	795582148	IWAXQVGWGXFCFC-OLZOCXBDSA-N	281.352	1.135	10	20	CDCD	
CO[C@@H]1CN(Cc2ccc(N3CCCC3)cc2)C[C@H]1O	1324378587	MBDFUEXTTJEHEF-HZPDHXFCSA-N	276.380	1.478	10	20	CDCD	
C[C@H]1CC[C@@H](C)N1C(=O)C(=O)NCCc1ccc(N)cc1	1325745868	NMXIJNYLFNYLIY-TXEJJXNPSA-N	289.379	1.327	10	20	CDCD	
O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N1CCC1	1257176265	GQVFGZFIWHDWMM-UHFFFAOYSA-N	287.363	1.135	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N[C@H]1CN2CCC1CC2	1339142813	VAHFESCKZAXVLF-LSYFEZSPSA-N	288.347	1.321	10	20	CDCD	
Cc1cccnc1C(=O)NCCc1ccc(O)c(O)c1	762267439	MUHKOHIHSSGAHL-UHFFFAOYSA-N	272.304	1.774	10	20	CDCD	
CCn1ncnc1CNCc1cc(Cl)cc(OC)c1O	793347604	ZDJMPDYXRLAVKE-UHFFFAOYSA-N	296.758	1.955	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)c1ccc(Cl)nn1	798175627	PFUQWPZKBUHUIX-UHFFFAOYSA-N	293.710	1.514	10	20	CDCD	
CCn1c([C@H](C)CO)nnc1N(C)Cc1ccccc1O	1340878208	KHOOTZFWSNFJBO-LLVKDONJSA-N	290.367	1.736	10	20	CDCD	
CO[C@@H]1COCC[C@H]1CC(=O)NCc1cccc(O)c1O	1348046049	HIBVSTRKCRVZCY-GXFFZTMASA-N	295.335	1.156	10	20	CDCD	
COc1ccc(O)c(CNC(=O)N[C@@H]2CO[C@@H](C)C2)c1	1349093514	QFYWHUYOBKHOBB-ONGXEEELSA-N	280.324	1.377	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NCCC(F)F	1353399032	GWUVHTHBNHVFKC-DUXPYHPUSA-N	257.236	1.882	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N[C@H]1C[C@@H](C(=O)O)C1	1605668759	VTTTXSAZGIPXFJ-PGMMKWOSSA-N	277.276	1.090	10	20	CDCD	
CCN(C)c1ccc(Cn2nnc(CCC(=O)O)n2)cc1	1605411102	XTSDWYXPYKJWHS-UHFFFAOYSA-N	289.339	1.195	10	20	CDCD	
Cc1ccc(O)c(CN2CCC([C@H](O)C(=O)O)CC2)c1	1600465419	YKTWQJJMCCHBKG-AWEZNQCLSA-N	279.336	1.358	10	20	CDCD	
C[C@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)[C@@H](C(=O)O)C1	1604742704	CUDUQHSNPFVAQH-GXSJLCMTSA-N	293.319	1.352	10	20	CDCD	
COCCN(C)CCN[C@@H](C)c1cc(C(=O)O)ccc1O	1610257796	GNLZDTMQMGYQDB-NSHDSACASA-N	296.367	1.319	10	20	CDCD	
O=C(O)[C@H]1CN(Cc2ccc(Cl)cc2O)CCO1	1601848202	WJWRNPQZTLTOGO-LLVKDONJSA-N	271.700	1.331	10	20	CDCD	
CC(=O)OCC(C)(C)CC(=O)NCc1ccc(N)cc1	1575029830	QWYGXMYSKIJXFQ-UHFFFAOYSA-N	278.352	1.864	10	20	CDCD	
CNCCCNCc1cc(F)c(N(C)C)cc1F	1578691611	RLUYUMVJNBKFML-UHFFFAOYSA-N	257.328	1.730	10	20	CDCD	
COc1ccc(N(C)Cc2ccncc2-c2nn[nH]n2)cc1	1580035366	RIYWKAWWZGDXRP-UHFFFAOYSA-N	296.334	1.907	10	20	CDCD	
O=C(O)CN1CCC(NCc2ccc(Cl)cc2O)CC1	1595079533	NUBBKGAVXTWCCO-UHFFFAOYSA-N	298.770	1.684	10	20	CDCD	
CCN(C)c1ccc(CNC[C@](C)(O)CC(=O)O)c(C)c1	1776856840	PSWYXBRCSBZZJV-MRXNPFEDSA-N	294.395	1.766	10	20	CDCD	
CCc1cccc(CNCc2nnnn2C2CC2)c1O	848896787	AIQHYMPOZSZJNR-UHFFFAOYSA-N	273.340	1.566	10	20	CDCD	
COCC(COC)NCc1ccc2c(c1)CCCO2	922162721	IOXZIPXZWAUYFB-UHFFFAOYSA-N	265.353	1.763	10	20	CDCD	
COc1ccc(O)c(CNC[C@@H]2CCCNC2=O)c1	839196720	XRYWPPWVROSHBC-JTQLQIEISA-N	264.325	1.017	10	20	CDCD	
CO[C@]1(C(=O)O)CCN(Cc2ccc(C)cc2O)C1	1599079146	OHKMBDAMLVUDKT-CQSZACIVSA-N	265.309	1.376	10	20	CDCD	
CCCN(CC)CCNCc1cc2c(cc1O)OCO2	223229426	XDOLAXBIIZCZJT-UHFFFAOYSA-N	280.368	1.942	10	20	CDCD	
CO[C@H](C)CCNCc1cc2c(cc1O)OCO2	263791895	HTXNVTZOIFDXFM-SECBINFHSA-N	253.298	1.636	10	20	CDCD	
CC(C)[C@@H]1CN(C(=O)Cc2ccc(N)cc2)CCO1	708884652	ZKZNELROOVXPHZ-AWEZNQCLSA-N	262.353	1.695	10	20	CDCD	
COc1ccc(O)c([C@@H](C)N[C@@H]2COC[C@H]2OC)c1	842908475	CJVGDUOKCVJHBI-GAJTVXKRSA-N	267.325	1.465	10	20	CDCD	
CCCN(CC(=O)NC)C(=O)c1ccc(C)c(O)c1O	177675026	WSLRLLTYBQNSOE-UHFFFAOYSA-N	280.324	1.004	10	20	CDCD	
CC(C)C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)O	28713139	OLBHHFOSTWXOHD-DUMNWFOQSA-N	293.319	1.727	10	20	CDCD	
CCCNC(=O)NC(=O)CN(C)c1ccc(OC)c(F)c1	121756943	FTDAPQSFMLIZKM-UHFFFAOYSA-N	297.330	1.506	10	20	CDCD	
Cc1n[nH]nc1C(=O)N(C)Cc1ccc(N(C)C)cc1	188483123	RIOZNNDECBBBQD-UHFFFAOYSA-N	273.340	1.451	10	20	CDCD	
CN(CC(=O)Nc1nccs1)c1ccc2c(c1)OCO2	121237626	NUNCFQKHWODJOF-UHFFFAOYSA-N	291.332	1.947	10	20	CDCD	
C[C@@H](NC(=O)c1cccc(O)c1O)C(=O)OC(C)(C)C	126734386	FLDXPSGSBWQXRM-MRVPVSSYSA-N	281.308	1.558	10	20	CDCD	
CC(=O)CCCC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	186410041	YIJRDDQSJXUMHX-JTQLQIEISA-N	279.336	1.904	10	20	CDCD	
Nc1ccc(CC(=O)N[C@H](C(=O)O)C2CCCCC2)cc1	40486671	OXMBUGLUJFUUDC-HNNXBMFYSA-N	290.363	1.961	10	20	CDCD	
Nc1ccc(CC(=O)NCc2cccc(C(=O)O)c2)cc1	40486370	OYNKNKIIKUFOGC-UHFFFAOYSA-N	284.315	1.826	10	20	CDCD	
CCc1nnc(CNC(=O)c2cccc(O)c2O)s1	291850288	DNCOYIJOQWUVKE-UHFFFAOYSA-N	279.321	1.442	10	20	CDCD	
CCOC(=O)CSc1ncc(C(=O)OC)s1	295285012	KZBIQDXZFQIJJP-UHFFFAOYSA-N	261.324	1.585	10	20	CDCD	
CN(Cc1cc(Cl)ccc1O)CC(C)(CO)CO	93502673	KOLYRQXIUWDXIZ-UHFFFAOYSA-N	273.760	1.468	10	20	CDCD	
CN1CC[C@@H]2CCN(Cc3cc4c(cc3O)OCO4)[C@@H]2C1	272253997	MBZOTFRTAGPLJN-DGCLKSJQSA-N	290.363	1.647	10	20	CDCD	
C[C@@H](O)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	276340097	IFWGDHMHJQFCDL-DGCLKSJQSA-N	279.336	1.281	10	20	CDCD	
CC[C@@H]1CC[C@@H](C(=O)NCc2ccc(O)c(O)c2)O1	272267166	COUCSRBSFHNXOS-MFKMUULPSA-N	265.309	1.672	10	20	CDCD	
CCOc1cccc([C@H]2NC(=O)[C@@H]3CSCCN23)c1O	270768470	HCUCNDCXFZUKGP-GWCFXTLKSA-N	294.376	1.337	10	20	CDCD	
OCCCN(CCO)Cc1cccc(Cl)c1O	271697543	BWFDPEITUGDIRG-UHFFFAOYSA-N	259.733	1.222	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CCNC(=O)C[C@H]2C)c1O	378326732	OZUPTRSIYOSPCR-SECBINFHSA-N	294.326	1.444	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@H](C)CC(C)(C)O)c1O	295061020	OGJHRMOCYBPASB-SECBINFHSA-N	298.339	1.948	10	20	CDCD	
C[C@H]1C[C@H](NCc2cnnn2C)c2c(O)ccc(F)c21	806659928	KCWYHNSPJGKTOE-KWQFWETISA-N	276.315	1.998	10	20	CDCD	
CN(C)c1ccc([C@H](N)CN[C@@H]2CCCC[C@H]2CN)cc1	817939798	CDCYIEKGSPRWFD-USXIJHARSA-N	290.455	1.860	10	20	CDCD	
C[C@H](NC[C@H](N)c1ccc(N(C)C)cc1)c1nccn1C	817940287	FPYZGPSRQCZWOD-WFASDCNBSA-N	287.411	1.837	10	20	CDCD	
CNCCN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1	817953457	PANGARJQGCTGGV-LBPRGKRZSA-N	281.375	1.532	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)C[C@H]1CNCCO1	829764177	HFYNZFWANGZWCJ-HNNXBMFYSA-N	291.395	1.056	10	20	CDCD	
Cn1cnnc1[C@H]1CCCN(C(=O)c2cc(O)cs2)C1	821800624	JZVPPCRHMWFPQL-VIFPVBQESA-N	292.364	1.602	10	20	CDCD	
COCCN(CC(=O)O)Cc1cc(Cl)cc(F)c1O	820723615	YTXYZBIPIKGWJQ-UHFFFAOYSA-N	291.706	1.718	10	20	CDCD	
Cc1cc(O)c(CN(C)CCS(C)(=O)=O)cc1Cl	824568091	ZGEXKYICPVEFTB-UHFFFAOYSA-N	291.800	1.830	10	20	CDCD	
O=C(NCCCSc1nccs1)c1cc[n+]([O-])cc1	734129139	JMZUCJKQFIOLQD-UHFFFAOYSA-N	295.389	1.689	10	20	CDCD	
COc1cccc(CNC(=O)CC2COC2)c1O	901127520	JYNXBAILXSJGSE-UHFFFAOYSA-N	251.282	1.054	10	20	CDCD	
COc1cccc(CNC(=O)Cc2cnccc2C)c1O	830540195	GGGQFUQANQMLLN-UHFFFAOYSA-N	286.331	1.963	10	20	CDCD	
CN(Cc1cc2c(cc1O)OCO2)C(C)(C)C(=O)O	833694235	LQLDBWQGVBQNQE-UHFFFAOYSA-N	267.281	1.416	10	20	CDCD	
Cc1ccc(C(=O)N2CCCCC[C@H]2CO)c(O)c1O	911951176	BYZFETRBWQHYCM-NSHDSACASA-N	279.336	1.783	10	20	CDCD	
C[C@H]1[C@H](CO)CCCN1Cc1cc2c(cc1O)OCO2	840980440	ZXKXEIREFWYUJG-QWRGUYRKSA-N	279.336	1.714	10	20	CDCD	
CCCNCCNC(=O)NCc1ccc(N(C)C)c(F)c1	841759764	IGHBAFDFPATANU-UHFFFAOYSA-N	296.390	1.691	10	20	CDCD	
Cc1cc(O)c(CN2CCO[C@@H]([C@@H](C)N)C2)cc1C	843057544	JOQXPUUAZIXDEN-IUODEOHRSA-N	264.369	1.557	10	20	CDCD	
C1=CCN(c2ccc(CNc3nccn4nnnc34)cc2)C1	749147580	NIBUUUNRZFLOJE-UHFFFAOYSA-N	293.334	1.508	10	20	CDCD	
CN(C)c1cc(F)c(CNCCN2CCOCC2)cc1F	858087040	RRCAAXLDIRYOJX-UHFFFAOYSA-N	299.365	1.453	10	20	CDCD	
CN(C)c1cc(F)c(CNCCCOCCO)cc1F	858157582	ICDDAKIWKCUICC-UHFFFAOYSA-N	288.338	1.519	10	20	CDCD	
COc1ccc(N2CC[C@@H](NC(=O)[C@H](C)C(=O)O)C2)cc1	851695604	GRIHRTIKJVFJCK-WDEREUQCSA-N	292.335	1.111	10	20	CDCD	
C[C@H](N[C@H](C)[C@@H]1CN(C)CCO1)c1cc(F)ccc1O	756758610	INGXQHLLDKCYRM-RWSFTLGLSA-N	282.359	1.901	10	20	CDCD	
COc1cc(N2CCN(CCF)CC2)cc(OC)c1OC	759888026	YYUMYQLFPIEBIS-UHFFFAOYSA-N	298.358	1.804	10	20	CDCD	
O=C(NC[C@@H]1CCCC[C@H]1O)c1cc(O)cs1	754907134	NTRCSALRYVKFML-WCBMZHEXSA-N	255.339	1.735	10	20	CDCD	
Cc1cccc(O)c1CN1CCN([C@@H]2CCOC2)CC1	877627041	HKPAGRATECEOIG-CQSZACIVSA-N	276.380	1.607	10	20	CDCD	
C[C@H](O)C[C@H]1CCCN1Cc1cc2c(cc1O)OC[C@H]2O	768462078	IVLLOPSHIPMIOK-JVLSTEMRSA-N	293.363	1.553	10	20	CDCD	
CN(CCn1cc([N+](=O)[O-])cn1)c1ccc(N)cc1	863558265	BLPXQQJSJFUXQX-UHFFFAOYSA-N	261.285	1.510	10	20	CDCD	
COCCn1ccc(C(=O)NCc2cc(C)ccc2O)n1	862757483	WACZXZLDUGGRGF-UHFFFAOYSA-N	289.335	1.474	10	20	CDCD	
CCc1c(C(=O)NCCc2ccc(O)c(O)c2)cnn1C	762275456	QLKKMCCBOYSEGS-UHFFFAOYSA-N	289.335	1.366	10	20	CDCD	
CC1=NO[C@@H](CNC(=O)NCc2cc(C)ccc2O)C1	875956511	MELAJDLEDJQTES-GFCCVEGCSA-N	277.324	1.665	10	20	CDCD	
Cc1cccc(O)c1CNCCN1CCN(C)C(C)(C)C1	877499471	QDXHPOWIDGDDCK-UHFFFAOYSA-N	291.439	1.816	10	20	CDCD	
COc1ccc(O)c(CN2Cc3cnn(C)c3C2)c1	877633046	XFXKYFMYYDPLHH-UHFFFAOYSA-N	259.309	1.650	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NC[C@H](O)c1ccco1	779530937	IIHWSAXLCHQNOI-BPJJOFIESA-N	289.287	1.554	10	20	CDCD	
C[C@H](NC(=O)NCCC(=O)O)c1ccccc1O	874403830	VDEBLMNYLKHWOJ-QMMMGPOBSA-N	252.270	1.227	10	20	CDCD	
CN(C(=O)Cc1nc(C2CC2)nn1C)c1ccc(N)cc1	877076635	SDRYJSYTJGGBRV-UHFFFAOYSA-N	285.351	1.480	10	20	CDCD	
CNC(=O)[C@@H]1CCC[C@@H]1NCc1cc(F)cc(F)c1O	883079674	ZPVHPWDIEBEISD-PWSUYJOCSA-N	284.306	1.675	10	20	CDCD	
CN1CCN(c2ccc(CNc3cnn(C)c3)cc2)CC1	771828555	YZWXKUOPWCAFMS-UHFFFAOYSA-N	285.395	1.784	10	20	CDCD	
CCc1nnc(COC(=O)c2cccc(O)c2O)o1	776281678	JDWBQAMYYXCVRD-UHFFFAOYSA-N	264.237	1.400	10	20	CDCD	
C[C@H]1CN(Cc2cc(Cl)cc(F)c2O)C[C@H](CO)O1	787417887	QSMZRMZAASOISG-GZMMTYOYSA-N	289.734	1.766	10	20	CDCD	
O=C(NCc1ccccc1O)N[C@@H]1CCCC12OCCO2	888016755	XZFLSPWIPWOWRG-CYBMUJFWSA-N	292.335	1.487	10	20	CDCD	
Cc1cc(C(=O)OCC(=O)c2ccc(O)c(O)c2)n[nH]1	783083496	BKSJNLZUMHATEG-UHFFFAOYSA-N	276.248	1.169	10	20	CDCD	
CN(C)CCOCCNC(=O)N(C)Cc1ccccc1O	788017003	IBNQNELAGMCGEI-UHFFFAOYSA-N	295.383	1.112	10	20	CDCD	
COC(=O)[C@H](NCc1cc(C)cc(OC)c1O)C1CC1	894539138	PEKJDWJZKUJGPA-CYBMUJFWSA-N	279.336	1.750	10	20	CDCD	
CCOCCOC[C@@H](O)CN[C@H](C)c1ccc(C)cc1O	790756987	INYDWZUJQWCZLC-KGLIPLIRSA-N	297.395	1.765	10	20	CDCD	
CNC(=O)CCCN[C@H](C)c1cc(F)ccc1O	273366695	BOFMPIIFMNNPLN-SECBINFHSA-N	254.305	1.708	10	20	CDCD	
COc1cccc(CNCC[C@@H](C)N(C)C)c1O	697874485	ZHGCHOJMCYYAQW-LLVKDONJSA-N	252.358	1.831	10	20	CDCD	
CC(C)(C)OC(=O)CNC(=O)c1cccc(O)c1O	790721665	OPYCFSFYJGLXRW-UHFFFAOYSA-N	267.281	1.169	10	20	CDCD	
CN(C)c1ccc(CN2C[C@@H]3CCNC[C@@H]3C2)cc1	904420669	DGBKAKAKGXWJSG-LSDHHAIUSA-N	259.397	1.794	10	20	CDCD	
O=C(O)CC[C@H](NCc1ccc2c(c1)CCCO2)C(=O)O	1262383881	MVISAEZSGGYNCR-LBPRGKRZSA-N	293.319	1.419	10	20	CDCD	
C[C@](O)(CNC(=O)NCc1ccc(N)cc1)C(F)(F)F	1357792455	YIZFOXSWHNJKAN-NSHDSACASA-N	291.273	1.381	10	20	CDCD	
COC[C@H](NCc1cccc(Cl)c1O)C(=O)O	1606815869	BLBNBRYDXDUFPY-VIFPVBQESA-N	259.689	1.235	10	20	CDCD	
COc1cc(C)cc(CN2CCC(N)CC2)c1O	1574015009	VKMSMKZWQQIHPB-UHFFFAOYSA-N	250.342	1.632	10	20	CDCD	
C[C@H](NC1CCNCC1)c1cc(C(=O)O)ccc1O	1593230755	FOFASISCDHEPPM-VIFPVBQESA-N	264.325	1.493	10	20	CDCD	
COc1ccc(CNc2cccc(-c3nn[nH]n3)n2)c(O)c1	1591602168	FTPJFIZIVVVJBP-UHFFFAOYSA-N	298.306	1.588	10	20	CDCD	
CC(C)[C@H](NCc1ccc(N2CC[C@H](O)C2)cc1)C(=O)O	1776305646	GBZXSYYMGOCRJS-GJZGRUSLSA-N	292.379	1.456	10	20	CDCD	
COc1cccc(CN[C@@H]2CCN(C(C)=O)C2)c1O	152959116	KWCIWNJZILTNNB-GFCCVEGCSA-N	264.325	1.111	10	20	CDCD	
CN1C(=O)C(=C/C=C\c2ccccc2)C(=O)N(C)C1=O	6088267	LPVZBHMLVXKEEV-TWGQIWQCSA-N	270.288	1.677	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2cccn2C)c1	155965954	DFPJTEDNUSYOLG-UHFFFAOYSA-N	260.293	1.669	10	20	CDCD	
COc1cccc(O)c1CN1CC[C@@](C)(CN)C1	843118028	ZGEZTWPWWBMFQE-AWEZNQCLSA-N	250.342	1.572	10	20	CDCD	
COC[C@@H](CN[C@@H](C)c1ccc(F)cc1O)OC	230672161	IUCYUJBPUAZWJP-GXSJLCMTSA-N	257.305	1.843	10	20	CDCD	
CCOc1cccc(CN(C)[C@H](C)C[S@](C)=O)c1O	131003030	PVGKBRIJOXPROF-NSPYISDASA-N	285.409	1.990	10	20	CDCD	
CCN1CCCN(C(=O)c2cccc(O)c2O)[C@H](C)C1	319988437	GNGTVRCZDHBKHU-LLVKDONJSA-N	278.352	1.654	10	20	CDCD	
CCOC[C@H]1CN(Cc2cccc(OC)c2O)CCO1	529666768	NDTXPEPXYIDFCA-CYBMUJFWSA-N	281.352	1.638	10	20	CDCD	
Cc1nc([C@@H](C)NCc2cc3c(cc2O)OCO3)n[nH]1	392441836	DTFKFYMIEWGXJF-SSDOTTSWSA-N	276.296	1.398	10	20	CDCD	
CCC[C@@H](NCc1c(O)cccc1OC)C(=O)O	1605354805	UKOXDPQJXKUMKK-SNVBAGLBSA-N	253.298	1.744	10	20	CDCD	
Cc1ccc(O)c([C@@H](C)NCCS(=O)(=O)C2CC2)c1	840882311	IQFZQFMGTZIPNU-LLVKDONJSA-N	283.393	1.928	10	20	CDCD	
CCO[C@@H](C)C(=O)NCc1cc(OC)ccc1O	114541553	IQMYITMZGRLBHL-VIFPVBQESA-N	253.298	1.442	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)CNCC1CC1	178863319	VCRIXTFYXKIEKU-UHFFFAOYSA-N	289.379	1.478	10	20	CDCD	
CC(C)CN1CC(=O)N[C@H]1c1cc(F)ccc1O	77474845	DJVWDLASWOTCSQ-CYBMUJFWSA-N	252.289	1.618	10	20	CDCD	
CC[C@@H](C)NC(=O)CCNCc1cc2c(cc1O)OCO2	42880273	FHTSLVNVUFITAI-SNVBAGLBSA-N	294.351	1.515	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NCC2CCOCC2)cc1	194813077	YNHIPWODXPVJOY-UHFFFAOYSA-N	291.395	1.978	10	20	CDCD	
Cc1nnsc1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	191515257	AVXJKEDWRPQIGE-SSDOTTSWSA-N	293.348	1.619	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NCCN2CCOC[C@H]2C)c1	248483435	CUDDEEGJLSWIBS-CHWSQXEVSA-N	294.395	1.772	10	20	CDCD	
COC(=O)C[C@H]1CN(Cc2cc(OC)ccc2O)CCO1	271754683	CMQUBZZGFHACJD-ZDUSSCGKSA-N	295.335	1.165	10	20	CDCD	
CN(C)c1ccc(CN[C@@H](CO)c2cnn(C)c2)cc1	270247826	UBGDAOVLVCKWPK-HNNXBMFYSA-N	274.368	1.309	10	20	CDCD	
CC(C)N(C)C(=O)C(=O)NCc1ccc(N(C)C)cc1	283435913	JNNLBCYKWVQBFD-UHFFFAOYSA-N	277.368	1.236	10	20	CDCD	
COc1cccc(CNC(=O)[C@@H]2O[C@@H](C)C[C@H]2C)c1O	282633042	YTSDYOPXQTVSON-ISTVAULSSA-N	279.336	1.831	10	20	CDCD	
CC(C)(CNCc1cc([N+](=O)[O-])ccc1O)OCCO	288373527	FGZMRMIPSDTVGF-UHFFFAOYSA-N	284.312	1.178	10	20	CDCD	
CN(Cc1cc(F)ccc1O)C[C@H](O)C(F)(F)F	809751287	PPHXHILAIIMNAC-JTQLQIEISA-N	267.222	1.886	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N(C)CCC(=O)O	818829609	BEPQWPNZACKDNW-UHFFFAOYSA-N	293.367	1.677	10	20	CDCD	
CCOc1ccc(O)c(CNCC(=O)N(CC)CC)c1	725848156	KTBOMQIRQQUFIR-UHFFFAOYSA-N	280.368	1.749	10	20	CDCD	
COc1ccc(N2CCCN(C(=O)C[C@H](C)N)CC2)cc1	827458463	DCWUKEHKLYWZPP-ZDUSSCGKSA-N	291.395	1.471	10	20	CDCD	
COc1cc(C)cc(CN2CC[C@@H](C(=O)O)C2)c1O	820758971	AYVIWUNAPHUKTC-SNVBAGLBSA-N	265.309	1.616	10	20	CDCD	
CCOC(=O)CN(CCC[C@@H](C)O)Cc1ccccc1O	823576477	PKGUJHNURUYBFH-CYBMUJFWSA-N	295.379	1.918	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NCc2cocn2)cc1	730821136	MNJLQVAVORURSO-UHFFFAOYSA-N	274.324	1.740	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1C[C@H](CO)C1	919081676	MEUHTOZBAWMBOE-MQMHXKEQSA-N	291.395	1.631	10	20	CDCD	
O=C(O)CN(Cc1ccccc1O)C(=O)[C@@H]1[C@H]2CCC[C@H]21	911485205	IAQYATHYNXMJQE-JYAVWHMHSA-N	289.331	1.852	10	20	CDCD	
Cn1cc(CCC(=O)NCc2ccc(O)cc2O)cn1	910951101	BAMLKWUTNHQLGP-UHFFFAOYSA-N	275.308	1.080	10	20	CDCD	
CC[C@H](COC)NC(=O)NCCc1ccc(N)cc1	841830647	KMVKVVPUMYHMBQ-CYBMUJFWSA-N	265.357	1.536	10	20	CDCD	
O=C(NC[C@]1(O)CCSC1)c1cc(O)cs1	748423440	OCOOKMZYPXXSGU-SNVBAGLBSA-N	259.352	1.052	10	20	CDCD	
CCOc1ccc(CN(C)[C@H](C)CCO)c(O)c1	846110900	LFYCXMGNRHOXFA-LLVKDONJSA-N	253.342	1.994	10	20	CDCD	
O=C(CCn1cc([N+](=O)[O-])cn1)NCc1ccccc1O	748345331	AFEOQAWEARWDKY-UHFFFAOYSA-N	290.279	1.203	10	20	CDCD	
COCC[C@@H](C)CNC(=O)c1ccc(C)c(O)c1O	840494236	MWBWLXCFXCRWBK-SECBINFHSA-N	267.325	1.809	10	20	CDCD	
CCOc1ccc(O)c(CN2CC[C@@H]([C@H](C)N)C2)c1	843057540	JNURRONSTUCQRI-NWDGAFQWSA-N	264.369	1.960	10	20	CDCD	
CCn1ncc(/C=C2/SC(N3CCCCC3)=NC2=O)n1	840731894	ABNWWEXGOYOGLV-DHZHZOJOSA-N	291.380	1.754	10	20	CDCD	
COC[C@@H](C)NC(=O)NCCCSc1nccs1	753342054	GUIZYJPPMQTBLP-SECBINFHSA-N	289.426	1.959	10	20	CDCD	
CON(C)C(=O)[C@@H](C)N[C@@H](C)c1ccc(N(C)C)cc1	858586836	LELOATDKSJEIFK-NWDGAFQWSA-N	279.384	1.812	10	20	CDCD	
CCOC(=O)C[C@@H](C)NC(=O)c1cc(O)cs1	761603502	VDHQORXDMNYOGY-SSDOTTSWSA-N	257.311	1.525	10	20	CDCD	
CNC(=O)C1(C(=O)NCc2cc(C)ccc2O)CCC1	862760538	UIFIVHCQPLXBRE-UHFFFAOYSA-N	276.336	1.233	10	20	CDCD	
C[C@@H]1N(Cc2cc3c(cc2O)OC[C@H]3O)CCOC1(C)C	768461578	DLQWQKNNZGTNQH-IINYFYTJSA-N	293.363	1.817	10	20	CDCD	
COC(=O)[C@@H](C)CN(C)Cc1c(O)cccc1OC	768882800	WXRPVFINYBZMFN-JTQLQIEISA-N	267.325	1.642	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NCCC2CC(O)C2)cc1	761585570	OWNPHIMNIBXTIJ-UHFFFAOYSA-N	291.395	1.713	10	20	CDCD	
CN(CCCO)Cc1ccc(N2CCC(O)CC2)cc1	877499372	OPFSPMBTIOGKLL-UHFFFAOYSA-N	278.396	1.462	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)Cc1nnc2n1CCC2	771529116	VLMPROOBEHBDAY-UHFFFAOYSA-N	285.395	1.922	10	20	CDCD	
C[C@@H](NC(=O)N(C)CCO)c1ccc(N(C)C)cc1	776238154	LDSABALWROOJJZ-LLVKDONJSA-N	265.357	1.447	10	20	CDCD	
CN(Cc1ccc(N)cc1)Cc1ncnn1CC(F)F	1120269048	MCGQSHDWEAMSNG-UHFFFAOYSA-N	281.310	1.757	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1C[C@H]2C[C@H]2C1	886328493	KTXPBVFQWNLPNA-GASCZTMLSA-N	287.407	1.663	10	20	CDCD	
COc1cccc(O)c1CN(C)[C@H](C)CN1CCOCC1	789764193	UKEWMDVUQFPGNZ-CYBMUJFWSA-N	294.395	1.553	10	20	CDCD	
Nc1ccc(CNC(=O)N2CC[C@H](N3CCCC3)C2)cc1	1120591996	OHANBWMDENTUOM-HNNXBMFYSA-N	288.395	1.649	10	20	CDCD	
COc1cc(Cl)cc(CN2C[C@H](C)[C@H](O)C2)c1O	897681481	VWFSETCYZZBRGY-GZMMTYOYSA-N	271.744	1.867	10	20	CDCD	
CCN1CCN(Cc2cc(F)cc(F)c2O)CC1=O	894460444	PEEMYTMHYXTGFW-UHFFFAOYSA-N	270.279	1.335	10	20	CDCD	
C[C@@H](NCc1ccc(N2CCCCC2)cc1)C(N)=O	35148836	YLXSFUIQOHNRAX-GFCCVEGCSA-N	261.369	1.640	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@@H](O)c1ccccn1	791386683	JTVOEQQAZUKTCE-AWEZNQCLSA-N	272.304	1.479	10	20	CDCD	
CCO[C@@H]1COCC[C@@H]1NCc1ccccc1O	686591885	CPIAJXLUGVXQAU-GXTWGEPZSA-N	251.326	1.676	10	20	CDCD	
CCOCCCCNC(=O)c1cccc(O)c1O	192987392	YHARJODSMKKTRW-UHFFFAOYSA-N	253.298	1.644	10	20	CDCD	
CCOc1cccc(CN2CC[C@@H](N)[C@H](C)C2)c1O	94338958	JIUNNCYRRLJJGT-DGCLKSJQSA-N	264.369	1.960	10	20	CDCD	
C[C@H]1COC[C@@H]1NC(=O)NCCc1ccc(N)cc1	1262585241	XEOWCHGWUAZOKX-GWCFXTLKSA-N	263.341	1.145	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@H](O)c1ccccn1	1346823214	ORACAQIHOOSRPE-MRXNPFEDSA-N	299.374	1.806	10	20	CDCD	
Cc1nc([C@@H]2CCN(C(=O)Cc3ccc(N)cc3)C2)n[nH]1	1355742257	WISCDDYFLIVHLM-GFCCVEGCSA-N	285.351	1.254	10	20	CDCD	
C=CC(=O)N1CCN(c2ccc(OCC)cc2)CC1	1356521221	SKOZJJPVYBAVMR-UHFFFAOYSA-N	260.337	1.920	10	20	CDCD	
CN(C)c1ccc([C@H](N)CNC(=O)[C@H]2C[C@@H]2F)cc1	1521145492	VZGIOQITWUPVAG-RWMBFGLXSA-N	265.332	1.227	10	20	CDCD	
Nc1ccc(Cc2nc(C(=O)OCC(=O)O)cs2)cc1	1605654547	GPNJIKRTWIUIKZ-UHFFFAOYSA-N	292.316	1.558	10	20	CDCD	
CCCC[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)O	1595634269	CKCKNXLYWOFNIX-JYKYSHPRSA-N	293.319	1.871	10	20	CDCD	
CCN1CC[C@@H]1CN[C@H](C)c1cc(C(=O)O)ccc1O	1596415350	JPEPBQQFYVEHGQ-ZYHUDNBSSA-N	278.352	1.835	10	20	CDCD	
C[C@@H](C[S@](C)=O)NCc1cccc(Cl)c1O	164408074	VXUWULBFUOZIKV-ZKANADHPSA-N	261.774	1.902	10	20	CDCD	
COCCOC[C@H](O)CN(C)c1ccc(OC)cc1	844354664	FXFZAONKUDADQR-CYBMUJFWSA-N	269.341	1.155	10	20	CDCD	
O[C@H]1C[C@H](NCc2ccc(N3CCOCC3)cc2)C1	850417793	LRPSSZGEGFRMAK-CTYIDZIISA-N	262.353	1.136	10	20	CDCD	
COc1cccc(CNCCc2cnn(C)c2)c1O	112017355	WWSHODAIBYSEPS-UHFFFAOYSA-N	261.325	1.467	10	20	CDCD	
C[C@H](NCCNC(=O)C1CC1)c1ccc(N(C)C)cc1	128310382	VREOYWROIPXGRA-LBPRGKRZSA-N	275.396	1.929	10	20	CDCD	
CCOC(=O)c1noc(CSc2nccs2)n1	314260180	IDDMOIKMUXYGEO-UHFFFAOYSA-N	271.323	1.995	10	20	CDCD	
CCOC[C@H]1CN(C(=O)Nc2ccc(N)cc2)CCO1	705814236	LCQFTIWBVAQYNX-CYBMUJFWSA-N	279.340	1.538	10	20	CDCD	
CCN1C[C@H](N[C@H](C)c2cc(C)ccc2O)CC1=O	391497420	TVXQAEDGUVLCLY-VXGBXAGGSA-N	262.353	1.972	10	20	CDCD	
CCOc1cccc(CN2CC[C@H]3NCC[C@@H]3C2)c1O	380709673	IBMJFCOEVGXBCD-TZMCWYRMSA-N	276.380	1.975	10	20	CDCD	
C[C@H]1CC[C@@H](CNCc2cc3c(cc2O)OCO3)O1	398126562	TXKDBNJUUWZHEQ-ONGXEEELSA-N	265.309	1.778	10	20	CDCD	
COCCN(Cc1c(O)cccc1Cl)[C@H](C)C(N)=O	119929692	FDSARTYSOWZZPA-SECBINFHSA-N	286.759	1.368	10	20	CDCD	
CN(C)c1ccc(CNc2ccncc2C(N)=O)cc1	302056734	ZSCTUDFTSQKBHT-UHFFFAOYSA-N	270.336	1.859	10	20	CDCD	
COC(=O)[C@]1(C)CCN(Cc2cc(OC)ccc2O)C1	180567610	VNNFNUQIAXOWTP-OAHLLOKOSA-N	279.336	1.786	10	20	CDCD	
CC(C)(O)CCNC(=O)/C=C/c1ccc(O)c(O)c1	274875415	XLAVFFQDHYSUHI-GQCTYLIASA-N	265.309	1.388	10	20	CDCD	
Oc1ccc(-c2ccccc2)cc1CN1C[C@@H](O)[C@H](O)C1	278375599	LDUNBEABWGCGJP-IAGOWNOFSA-N	285.343	1.597	10	20	CDCD	
CCCOc1ccc(CN2C[C@H](OC)C[C@H]2CO)c(O)c1	284549275	LIUKDGFEZIVOHX-DZGCQCFKSA-N	295.379	1.763	10	20	CDCD	
CC1CCN(c2ccc(CNC(=O)CO)cc2)CC1	294651763	PTBMRDVDOHZCAQ-UHFFFAOYSA-N	262.353	1.531	10	20	CDCD	
COc1ccc(CNC(=O)CCc2ncccn2)c(O)c1	812561349	LGGNCGZFDBBBSD-UHFFFAOYSA-N	287.319	1.440	10	20	CDCD	
CCOc1ccc(CN2CC[C@H](C(=O)O)C2)c(O)c1	820387430	PPECXEBBDKUIGC-NSHDSACASA-N	265.309	1.697	10	20	CDCD	
CCOC(=O)CN(Cc1ccccc1O)CC(OC)OC	823576051	HNYCYYBEJIMYFW-UHFFFAOYSA-N	297.351	1.376	10	20	CDCD	
NCCCC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	829003566	PIBWXWRQOCYQFA-CQSZACIVSA-N	292.379	1.639	10	20	CDCD	
COc1cc(CN[C@H](C)C(N)=O)c(O)c(C(C)(C)C)c1	825716257	QXCMASREHSAHFN-SECBINFHSA-N	280.368	1.662	10	20	CDCD	
O=C(C1CC1)N1CCN(Cc2ccccc2O)CC1	728300130	YIOGTZDQKMRZEF-UHFFFAOYSA-N	260.337	1.446	10	20	CDCD	
C[C@H](CN)C(=O)NCCCSc1nccs1	829528032	JNNKOVJHPNMFSI-MRVPVSSYSA-N	259.400	1.336	10	20	CDCD	
O=C(O)[C@@H]1CCC[C@@H]1NCc1cccc(F)c1O	904268050	BSSHNGVYUIVUOF-KOLCDFICSA-N	253.273	1.874	10	20	CDCD	
CN(C)C(=O)COC1CN(Cc2cccc(Cl)c2O)C1	839138039	KWFUWOKRPMSPIQ-UHFFFAOYSA-N	298.770	1.335	10	20	CDCD	
CC(C)(C)N1CC[C@H]1C(=O)NCc1ccc(O)cc1O	910943515	NGFJSLLVOGVOSB-LBPRGKRZSA-N	278.352	1.587	10	20	CDCD	
C[C@H]1COC[C@@H]1NC(=O)NCc1ccccc1O	915525341	NUJCAVXAJSNWSD-ONGXEEELSA-N	250.298	1.226	10	20	CDCD	
CCOc1ccc(O)c(CN[C@H](CO)CCF)c1	846097260	OYZFKEGJVCZDQL-NSHDSACASA-N	257.305	1.601	10	20	CDCD	
Cc1cc(O)c(CN[C@H](C(=O)O)c2ccnn2C)cc1C	843040757	XUMJQWPGCIDJBQ-AWEZNQCLSA-N	289.335	1.658	10	20	CDCD	
COc1ccc(CNC(=O)C[C@H](C)CC(=O)O)c(O)c1	911718768	RBQZPKUVMMQCSH-VIFPVBQESA-N	281.308	1.518	10	20	CDCD	
Oc1cc2c(cc1CN1CC[C@H]3NCC[C@H]3C1)OCO2	843128932	ZRLQEBLDJUZNLA-CMPLNLGQSA-N	276.336	1.305	10	20	CDCD	
CC1(C)CCCN(C(=O)C(=O)Nc2ccc(N)cc2)C1	841038319	UWXMZAHDIUTKKG-UHFFFAOYSA-N	275.352	1.856	10	20	CDCD	
Nc1ccc(CCNC(=O)[C@@H]2[C@H]3CCC(=O)[C@H]32)cc1	911783671	XBUNMKAEHQFYDT-FPMFFAJLSA-N	258.321	1.153	10	20	CDCD	
Cc1cc(CN(C)[C@@H](C)C(=O)O)ccc1N(C)C	846224598	SWXGZICLICKAFL-NSHDSACASA-N	250.342	1.966	10	20	CDCD	
O=C(NCc1c(O)ccc2c1CCCC2)[C@@]1(O)CCOC1	840401753	FWGXMYAFFLOBPG-MRXNPFEDSA-N	291.347	1.039	10	20	CDCD	
NCCCSCCC(=O)NCCc1ccc(N)cc1	911783530	WGZHACZONSQUIF-UHFFFAOYSA-N	281.425	1.400	10	20	CDCD	
C[C@@H]1C[C@@H](NCc2cc3c(cc2O)OCO3)CCN1	841062205	SXWLWQGFWZOVHJ-KOLCDFICSA-N	264.325	1.351	10	20	CDCD	
COc1ccc(CNC(=O)N[C@@H]2CCCNCC2)c(O)c1	841976933	JEDHNLKPQDQNMA-GFCCVEGCSA-N	293.367	1.342	10	20	CDCD	
CCOCCNC(=S)NCCc1ccc(O)c(O)c1	750975319	DGBIDPMYHNIQHW-UHFFFAOYSA-N	284.381	1.141	10	20	CDCD	
COCn1ccc(C(=O)NCc2ccc(N(C)C)cc2)n1	854270654	OBVBBBRUYJNZAK-UHFFFAOYSA-N	288.351	1.483	10	20	CDCD	
COc1ccc(CN[C@H]2COCCC2(OC)OC)cc1C	931677715	WQNUVHJTHWUQBW-HNNXBMFYSA-N	295.379	1.871	10	20	CDCD	
C[C@@H](NC(=O)NCCCN(C)C)c1ccccc1O	867980964	DLOPLWNEADMKTH-LLVKDONJSA-N	265.357	1.704	10	20	CDCD	
Oc1ccc(Cl)c(F)c1CN[C@@H]1COCC[C@H]1O	865749983	JWXPOEUGVQBOJI-MWLCHTKSSA-N	275.707	1.424	10	20	CDCD	
CN(C)c1ccc(CN(C)[C@]2(CO)CCOC2)cc1F	862426793	OQFLOQPUCHJCKK-HNNXBMFYSA-N	282.359	1.475	10	20	CDCD	
CNCCN(C)Cc1ccc(N2CCN(C)CC2)c(F)c1	1118241919	RVWUMLWOXGJSIY-UHFFFAOYSA-N	294.418	1.229	10	20	CDCD	
Cc1cccc(O)c1CN(C)[C@@H]1CCS(=O)(=O)C1	876524428	QEDIZJIYVAPXFB-LLVKDONJSA-N	269.366	1.320	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N2C[C@H]3COC[C@H]3C2)cc1	871738881	WREACNXXZPNXTM-OKILXGFUSA-N	289.379	1.540	10	20	CDCD	
O=C(NC[C@H](O)c1cccnc1)c1cc(O)cs1	772499468	KVEIJXWAAGXSCB-JTQLQIEISA-N	264.306	1.312	10	20	CDCD	
CCn1nccc1NC(=O)NCc1ccccc1O	776019888	ROPLGRUGQGHEDH-UHFFFAOYSA-N	260.297	1.930	10	20	CDCD	
CCCCN1CC(=O)N[C@H]1c1cc(C)cc(OC)c1O	887326897	QSMZLEHOWQRFCG-OAHLLOKOSA-N	278.352	1.940	10	20	CDCD	
CCOc1ccc(O)c(CN2C[C@H](O)C[C@@H]2C)c1	788269430	NRFLFQBXIVWNQJ-CMPLNLGQSA-N	251.326	1.746	10	20	CDCD	
Nc1ccc(CNC(=O)NCCCO[C@H]2CCOC2)cc1	1120526185	XIOVTPGJEXCCSQ-AWEZNQCLSA-N	293.367	1.264	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@@H](O)C[C@H]1C	788324543	XJHOYRLXKYMSFV-DOMZBBRYSA-N	291.395	1.726	10	20	CDCD	
CC(C)(C)S(=O)(=O)CC(=O)Nc1ccc(N)cc1	35058138	QGLDLRDNFGTLDO-UHFFFAOYSA-N	270.354	1.421	10	20	CDCD	
COc1cc(C)cc(CN[C@H]2CC(=O)N(C)C2)c1O	894210546	DCBKEROHLVROHI-NSHDSACASA-N	264.325	1.030	10	20	CDCD	
CSc1cc(O)ccc1NS(=O)(=O)c1ccn(C)n1	792702882	HCOFCLUQJMFUTC-UHFFFAOYSA-N	299.377	1.648	10	20	CDCD	
CC[C@H](NC[C@]1(O)CCN(C)C1)c1ccc(F)cc1O	796936122	DSRVMCVTWIXOSM-DZGCQCFKSA-N	282.359	1.639	10	20	CDCD	
CC(=O)c1cc(F)cc(CN(CCO)C2CC2)c1O	50158191	ARHLTTGSQNQFIL-UHFFFAOYSA-N	267.300	1.691	10	20	CDCD	
COC(=O)CNC(=O)c1ccc(CN=[N+]=[N-])s1	1537963155	WVZKHHCWISQLRF-UHFFFAOYSA-N	254.271	1.461	10	20	CDCD	
CN(Cc1ccccc1O)c1ncc([N+](=O)[O-])c(N)n1	89635593	DWOPJTTVNHLJKM-UHFFFAOYSA-N	275.268	1.309	10	20	CDCD	
CC(C)C[C@H](NCc1cc([N+](=O)[O-])ccc1O)C(=O)O	1321111372	AEJDRRVWFGYNAV-NSHDSACASA-N	282.296	1.889	10	20	CDCD	
Oc1cc(Br)ccc1CN1C[C@@H]2CNC[C@H]2C1	691487300	KLCBBIMHIZBKRV-QWRGUYRKSA-N	297.196	1.806	10	20	CDCD	
COCCOC[C@@H]1CCN(Cc2ccc(N)cc2)C1	1336117504	NZDHHSCHYLCYEI-CQSZACIVSA-N	264.369	1.754	10	20	CDCD	
COC1(CNC(=O)c2cccc(O)c2O)CCOCC1	790899865	QFMQBBRQRMWFAO-UHFFFAOYSA-N	281.308	1.023	10	20	CDCD	
Cc1nnc([C@H](C)NC(=O)NCc2ccc(N)cc2)s1	1338583637	UUODZYBSAGUONJ-QMMMGPOBSA-N	291.380	1.989	10	20	CDCD	
COC(=O)[C@@H]1CCC[C@H]1NC(=O)c1ccc(C)c(O)c1O	1337483729	UWQIWYKIOBQFHN-MWLCHTKSSA-N	293.319	1.478	10	20	CDCD	
Cn1ccc(CCC(=O)NCc2cccc(O)c2O)n1	1348048764	WFEWWXGNMRIGRH-UHFFFAOYSA-N	275.308	1.080	10	20	CDCD	
CC(C)CCn1cc(C(=O)NCc2ccc(N)cc2)nn1	1346209755	LDPGNVGEFLFJKB-UHFFFAOYSA-N	287.367	1.836	10	20	CDCD	
CN(C)c1ccc(CN2CC=C(C(=O)O)CC2)cc1	1777039405	WLOYDPAVDZTOCG-UHFFFAOYSA-N	260.337	1.969	10	20	CDCD	
CCOc1ccc(CN[C@H](C)CC(=O)O)c(O)c1	1592663085	DLIXDFZIDFOZCH-SECBINFHSA-N	253.298	1.744	10	20	CDCD	
COCCC[C@@H](NCc1ccc2c(c1)CCO2)C(=O)O	1777205070	WVNFBMCEHIMWTO-CYBMUJFWSA-N	279.336	1.591	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H]1COC(=O)C1	159336514	CYBGUEWAMQIVGQ-ZDUSSCGKSA-N	290.363	1.664	10	20	CDCD	
Oc1c(Cl)cccc1CNCCN1CCC(O)CC1	294723781	BBTMEQJSSWJTHB-UHFFFAOYSA-N	284.787	1.592	10	20	CDCD	
CN(C)C(=O)N1CCN(Cc2ccc(N)cc2)CC1	401669825	ZBSRGKBEJJTDPH-UHFFFAOYSA-N	262.357	1.068	10	20	CDCD	
C[C@@H]1SCC[C@@H]1NC(=O)c1cccc(O)c1O	310454734	CONJKHWLVGKLLO-CBAPKCEASA-N	253.323	1.722	10	20	CDCD	
CNC(=O)C[C@@H](C)N[C@H](C)c1ccc(F)cc1O	322515743	KDNBEFNCKLKMBN-RKDXNWHRSA-N	254.305	1.707	10	20	CDCD	
CO[C@@H]1CN[C@](C)(C(=O)N(C)Cc2ccccc2O)C1	701594183	WRPAOJMBSDSONI-WFASDCNBSA-N	278.352	1.118	10	20	CDCD	
CCc1cccc(CNCC(=O)N(CC)CC)c1O	691433044	CFXZOYGXGJFUJA-UHFFFAOYSA-N	264.369	1.913	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCOC1	178767514	MBINACJSSPYTCX-ZDUSSCGKSA-N	277.368	1.683	10	20	CDCD	
CCN(CC)C(=O)CN[C@@H](C)c1ccccc1O	135720021	BNIIWMBFZVHVMG-NSHDSACASA-N	250.342	1.911	10	20	CDCD	
CN1CCC(C(=O)NCc2ccc(N(C)C)c(F)c2)CC1	172721076	FJZNDPMXBWCDPS-UHFFFAOYSA-N	293.386	1.850	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C1(O)CCC1	184611252	CIGDVGBYJCCRNP-UHFFFAOYSA-N	262.353	1.626	10	20	CDCD	
Oc1ccc(F)cc1CN1CCN(C[C@H]2CCOC2)CC1	180231573	ZPJHVNSGMOZGQU-CYBMUJFWSA-N	294.370	1.685	10	20	CDCD	
CCN(Cc1cnn(C)c1)C(=O)c1ccc(C)c(O)c1O	182245044	DZHCWYPFPVHCNL-UHFFFAOYSA-N	289.335	1.802	10	20	CDCD	
NC(=O)[C@@H]1CCN(Cc2cc(Br)ccc2O)C1	157068454	BWEMDRHTWNYTQM-MRVPVSSYSA-N	299.168	1.462	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NCCN2C(=O)CCC2=O)c1	182366140	FMRSYNNMVREQHC-SNVBAGLBSA-N	292.335	1.200	10	20	CDCD	
COc1cc(C(=O)NCc2ccccc2O)nn1C	381815116	MPNVSVZMQFCKLA-UHFFFAOYSA-N	261.281	1.064	10	20	CDCD	
NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	80622967	SNDJCTGFWDKXHS-SECBINFHSA-N	285.294	1.925	10	20	CDCD	
CO[C@H](C)CS(=O)(=O)Nc1ccc(O)c(C)c1	193120358	QMHJMTVAMDYCCE-SECBINFHSA-N	259.327	1.477	10	20	CDCD	
CCC[C@H]1C(=O)NCCN1Cc1cccc(OC)c1O	93771694	JNCPTWGNWKUVHK-LBPRGKRZSA-N	278.352	1.501	10	20	CDCD	
CC(C)(C)N1C[C@@H](NC(=O)Cc2ccc(N)cc2)CC1=O	236640444	ISDMIWLSSUGBSM-ZDUSSCGKSA-N	289.379	1.327	10	20	CDCD	
CCOc1cccc(CNCc2n[nH]c(CC)n2)c1O	296022078	MNEYTFUQOWTLRB-UHFFFAOYSA-N	276.340	1.761	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCC[C@@H]1[C@H]1CCC[C@H]1O	253088563	FOGWUDOMMVDSJQ-RAIGVLPGSA-N	291.347	1.863	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@](C)(O)C1CC1	274978671	WXGXLEOPVWIBDG-HWPZZCPQSA-N	293.363	1.696	10	20	CDCD	
Cc1ccc(C(=O)N2C[C@H](O)C(C)(C)C2)c(O)c1O	279779404	NOFBQCZRKWEFPI-JTQLQIEISA-N	265.309	1.249	10	20	CDCD	
Oc1ccccc1CNCCN1CCCOCC1	289467614	PBPMRRKCVWIUIL-UHFFFAOYSA-N	250.342	1.204	10	20	CDCD	
COC(=O)[C@H]1C[C@H](OC)CCN1Cc1cccc(C)c1O	371530140	WSBZPFRLFDHGJS-ZIAGYGMSSA-N	293.363	1.853	10	20	CDCD	
Cc1cc(O)c(CN2CC[C@](C)(C(N)=O)C2)cc1C	280106341	ARNVCWJGXUPZJE-HNNXBMFYSA-N	262.353	1.706	10	20	CDCD	
CC(=O)C(=O)CN1C(=O)NC2(CCCCCCC2)C1=O	288999627	WJHQTTRCHLAWGZ-UHFFFAOYSA-N	280.324	1.179	10	20	CDCD	
COc1ccc(CN[C@H]2C(=O)NCC[C@@H]2C)cc1C	282285955	IQALSCJJMUMXKL-IINYFYTJSA-N	262.353	1.618	10	20	CDCD	
COCC(=O)NCc1cc(Cl)cc(Cl)c1O	807840301	XWEVMXYUADAWAG-UHFFFAOYSA-N	264.108	1.962	10	20	CDCD	
CN1CC(=O)N[C@@H]1c1cc(Cl)cc(Cl)c1O	298793712	RRYUXKRCUFRYOK-JTQLQIEISA-N	261.108	1.759	10	20	CDCD	
Cc1ncc(COC(=O)/C=C/c2ccc(O)c(O)c2)cn1	803399991	MIGLXPVMTRLBFV-HWKANZROSA-N	286.287	1.953	10	20	CDCD	
C[C@@H](NCC(C)(C)N)c1cc([N+](=O)[O-])ccc1O	817959701	GYPVMTWHMMXZKH-MRVPVSSYSA-N	253.302	1.688	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)CC[C@H]2CCNC2)c1	828666911	JYPYJNTZOJHOBN-RYUDHWBXSA-N	292.379	1.968	10	20	CDCD	
COC(=O)C1(C)CN(Cc2cc(OC)ccc2O)C1	822534893	ZYBXSMHGCFVYPL-UHFFFAOYSA-N	265.309	1.396	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@H](O)C(C)(C)C)cc1F	735856258	VDJCTZZBAJNVPI-ZDUSSCGKSA-N	282.359	1.915	10	20	CDCD	
CN(C)C(=O)COC1CN(Cc2cc(Cl)ccc2O)C1	839137186	BRCZVYJJXIOUIS-UHFFFAOYSA-N	298.770	1.335	10	20	CDCD	
CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)Nc1ccc(N)cc1	832244833	ZKLOCDYWNMOSEN-NSHDSACASA-N	299.396	1.171	10	20	CDCD	
C[C@@H](NC(=O)C[C@H]1CC(=O)N1)c1ccc(N(C)C)cc1	832430802	HBGOTSVMTSRFQU-PWSUYJOCSA-N	275.352	1.208	10	20	CDCD	
NC(=O)CC[C@H]1CCCN(C(=O)c2cc(O)cs2)C1	732284514	UVIRHIRPBUIZME-SECBINFHSA-N	282.365	1.571	10	20	CDCD	
COCC[C@@H](C)CNC(=O)c1c(F)ccc(O)c1O	839812376	ZKBWFLCNTWQSEP-MRVPVSSYSA-N	271.288	1.639	10	20	CDCD	
O=C(NC[C@@H]1CCC[C@@H](O)C1)c1cc(O)cs1	748319640	FLSUFCQWBZZVFW-RKDXNWHRSA-N	255.339	1.735	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCOC[C@H]1C1CCC1	844036227	GZALLKKYQNJNIR-LBPRGKRZSA-N	277.320	1.739	10	20	CDCD	
CC(C)n1nnc(NC(=O)c2cc(O)cs2)n1	913485759	HJDUTXOFBKYMKY-UHFFFAOYSA-N	253.287	1.273	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)C1(O)CCCCC1	910951529	RZKIPTMDFDJRJD-UHFFFAOYSA-N	265.309	1.409	10	20	CDCD	
COc1cccc([C@@H](C)N[C@H](C)c2ncnn2C)c1O	846167216	ULGRVPJKYFYIRM-NXEZZACHSA-N	276.340	1.941	10	20	CDCD	
NCc1ccc2c(c1)CCCN2CC(=O)NCC1CCC1	843350261	LFSUZWKTRPLWJS-UHFFFAOYSA-N	287.407	1.814	10	20	CDCD	
C[C@@H]1[C@H](C(=O)NCc2ccc(O)c(O)c2)CCN1C	843831145	NAXPOZROIJTVFK-MWLCHTKSSA-N	264.325	1.054	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)NCc1cc[nH]n1	916637425	MUCXYSNWSAYGEU-UHFFFAOYSA-N	260.297	1.457	10	20	CDCD	
CCOc1ccc(O)c(CN2CCC[C@@H](NC)C2)c1	843048735	VAOGGEOUXCLJAX-CYBMUJFWSA-N	264.369	1.975	10	20	CDCD	
CCn1nccc1CNC[C@@H](N)c1ccc(N(C)C)cc1	841045802	QJSDFGJOHKMHTL-MRXNPFEDSA-N	287.411	1.759	10	20	CDCD	
CO[C@@H]1COC[C@@H]1N[C@@H](C)c1cc([N+](=O)[O-])ccc1O	840825867	BWYJUZKSNMBASB-LJUAHTATSA-N	282.296	1.365	10	20	CDCD	
CCNCCCNC(=O)NCc1ccc(OC)cc1O	841917329	FGRFLDADLXJPDC-UHFFFAOYSA-N	281.356	1.200	10	20	CDCD	
Oc1cc2c(cc1CN1CC[C@@]3(CCCN3)C1)OCO2	841106401	LTIJAKLSWAOLFU-HNNXBMFYSA-N	276.336	1.449	10	20	CDCD	
C[C@H](NC(=O)N(C)[C@@H](C)C(=O)O)c1ccc(N(C)C)cc1	929041934	CJFXOIJMTMUXHL-QWRGUYRKSA-N	293.367	1.928	10	20	CDCD	
COC(=O)N(C)CCNCc1ccc(N(C)C)c(F)c1	850389886	KJXHJPMNKHXECV-UHFFFAOYSA-N	283.347	1.680	10	20	CDCD	
O=C(OC[C@H]1CCCOC1)c1cccc(O)c1O	758573197	POUVRJNNKWIQOL-VIFPVBQESA-N	252.266	1.681	10	20	CDCD	
Cc1ccc([C@@H](C)NCCN2CC[C@@H](O)C2)c(O)c1C	858547668	IDIZMRRPZUUKSW-ZIAGYGMSSA-N	278.396	1.726	10	20	CDCD	
CCOc1ccc(CN2CCCN(C(N)=O)CC2)c(O)c1	769224955	FOHBYMQFTRUTJE-UHFFFAOYSA-N	293.367	1.377	10	20	CDCD	
CCN(CC(=O)NCc1cc(C)ccc1O)C1CC1	862757959	JYNAPEPQLWOQPK-UHFFFAOYSA-N	262.353	1.801	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)C(=O)OC(C)(C)C)c1	764869927	XDWQVYARTICXRW-SECBINFHSA-N	295.335	1.920	10	20	CDCD	
C[C@@H](NC(=O)N[C@H]1CCCN(C)C1=O)c1ccccc1O	868376623	GAHYZHWLCHCOOC-PWSUYJOCSA-N	291.351	1.373	10	20	CDCD	
CCOc1ccc(CN2CCN(C(C)=O)CC2)c(O)c1	768136687	BEMCMRBETXKVFK-UHFFFAOYSA-N	278.352	1.455	10	20	CDCD	
CCO[C@@H](C(=O)N[C@H](C)Cc1ccc(O)c(O)c1)C1CC1	860696386	UGMORPJNPGRHJA-MEBBXXQBSA-N	293.363	1.960	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1C(=O)[C@H]2CCCN2C1=O	761356354	OPZFTSRREPRLON-CQSZACIVSA-N	287.363	1.988	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCS[C@@H]2COCC[C@@H]21	768374660	KONFBDAYVUUPGJ-GXSJLCMTSA-N	285.390	1.800	10	20	CDCD	
COc1ccc(CNC(=O)[C@H]2CC[C@H](N)CC2)c(O)c1	870931774	MRHLVHHHAZVZTH-UMSPYCQHSA-N	278.352	1.535	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)[C@H]1CCOC(=O)N1	1118847984	XJSBQIKFQKNFJR-GFCCVEGCSA-N	292.335	1.629	10	20	CDCD	
O=C(NCc1ccccc1CO)c1cccc(O)c1O	776669697	RIFWBKXLAKBPLZ-UHFFFAOYSA-N	273.288	1.520	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2CCO[C@H](OC)C2)c1O	895968204	JQSPZUKFIWPOQK-NSHDSACASA-N	298.295	1.114	10	20	CDCD	
O=C(N[C@@H]1CN(c2ccccc2)C1=O)c1cc(O)cs1	782877472	OIQWNXYKMSTHDJ-LLVKDONJSA-N	288.328	1.599	10	20	CDCD	
COc1cc(C)cc(CNCCCC(=O)N(C)C)c1O	894207804	ZTGKAGKIOQJGGP-UHFFFAOYSA-N	280.368	1.667	10	20	CDCD	
CN1CC[C@H]1CNCc1cc(Cl)cc(F)c1O	896593967	DHTPXTNBRONNRR-JTQLQIEISA-N	258.724	1.978	10	20	CDCD	
COc1ccc(O)c(CNC(=O)CCC(C)(C)O)c1	787450069	POEKUXATCMMLDM-UHFFFAOYSA-N	267.325	1.568	10	20	CDCD	
COc1cc(C)cc(CN2CC[C@@H](O)[C@H](C)C2)c1O	894497616	NDUUCJSCLHQEPR-DGCLKSJQSA-N	265.353	1.912	10	20	CDCD	
CO[C@](C)(CNC(=O)c1ccc(C)c(O)c1O)C1CC1	794398487	CGSBWPYJDJTAIP-OAHLLOKOSA-N	279.336	1.951	10	20	CDCD	
O=C1CN(C(=O)c2cc(O)cs2)CN1CC1CC1	791041678	GDPXGSJFMXITOA-UHFFFAOYSA-N	266.322	1.106	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2coc(CN)c2)cc1	188038018	LVZPWQFTOVAGDF-UHFFFAOYSA-N	273.336	1.734	10	20	CDCD	
COc1cccc(CN[C@@H]2CCn3ccnc3C2)c1O	778189669	SUWKUGYWPBJUSD-GFCCVEGCSA-N	273.336	1.702	10	20	CDCD	
C[C@H](Cc1cnc[nH]1)C(=O)NCc1ccc(N)cc1	1356228856	WGSUWDOARYFRKD-SNVBAGLBSA-N	258.325	1.487	10	20	CDCD	
CCOC(CCNC(=O)NCc1ccc(N)cc1)OCC	1353491838	BKPVJLBINUCDLX-UHFFFAOYSA-N	295.383	1.857	10	20	CDCD	
NOCCCNC(=O)NCc1c(O)ccc2c1CCCC2	1353502640	UWXXTHMUAGSHDT-UHFFFAOYSA-N	293.367	1.351	10	20	CDCD	
CCc1noc(C)c1C(=O)NCc1cccc(O)c1O	1521852247	SVKGUQLHIQTNAH-UHFFFAOYSA-N	276.292	1.887	10	20	CDCD	
CC1(C)C[C@@]1(C(=O)O)C(=O)N1Cc2cccc(O)c2C1	1589212129	GMWBGFKEYQXQGE-HNNXBMFYSA-N	275.304	1.735	10	20	CDCD	
C[C@@H](NC[C@H]1COCCO1)c1cc(C(=O)O)ccc1O	1593257894	VERBYJHCMCAQRX-KOLCDFICSA-N	281.308	1.156	10	20	CDCD	
COC[C@@]1(C(=O)O)CCCN1Cc1cccc(F)c1O	1599192404	CFHOMZKSTZWSLN-CQSZACIVSA-N	283.299	1.597	10	20	CDCD	
CCC[C@@H]1CNCCN1C(=O)Cc1ccc(N)cc1	841849266	GBZXXNFOEFLILR-CQSZACIVSA-N	261.369	1.412	10	20	CDCD	
O=S1(=O)CCC[C@@H](NCc2ccc3c(c2)CCCO3)C1	921751737	MDKOKAXCTWHVEJ-CQSZACIVSA-N	295.404	1.678	10	20	CDCD	
C[C@H]1OCC[C@]1(O)CNCc1ccc2c(c1)CCO2	227981477	BGLGKQJGVFRIIT-ABAIWWIYSA-N	263.337	1.251	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@@H]1CCCC(=O)N1	270377440	JGIIMAMIBMWIIT-NSHDSACASA-N	262.309	1.019	10	20	CDCD	
C[S@](=O)C1(CNCc2ccccc2O)CCC1	280758797	YLUADTGILPJDID-KRWDZBQOSA-N	253.367	1.783	10	20	CDCD	
CCn1cnnc1CNCc1ccc2c(c1)CCO2	77328748	SIFYMHLLLZKGNJ-UHFFFAOYSA-N	258.325	1.523	10	20	CDCD	
CN(Cc1cc(Br)ccc1O)[C@@H]1CCNC1=O	770383443	VIZRKPZPEPBMRA-SNVBAGLBSA-N	299.168	1.475	10	20	CDCD	
Cc1cccc(CN2CCC[C@@H]2CN2CCOCC2)c1O	179802767	ZYWUGGLDKGVIFD-MRXNPFEDSA-N	290.407	1.997	10	20	CDCD	
Cc1cc(C(=O)NCCO)c(C)n1-c1ccc(C#N)cc1	305128280	PVVBDDBDWQLENA-UHFFFAOYSA-N	283.331	1.688	10	20	CDCD	
COc1cc(O)c(CN2CC[C@H](CO)C2)cc1OC	179954131	UANUXTBHTCZMAZ-JTQLQIEISA-N	267.325	1.224	10	20	CDCD	
CCn1cnc2c1CCN(C(=O)Cc1ccc(N)cc1)C2	1358357334	WJWCPRZHLMBVHE-UHFFFAOYSA-N	284.363	1.613	10	20	CDCD	
COc1cccc(CNC(=O)NC[C@@H](OC)C(C)C)c1O	74938676	UOKJZDOJUKACTI-CYBMUJFWSA-N	296.367	1.871	10	20	CDCD	
CCOC(=O)CCCNC(=O)N(C)Cc1ccccc1O	79441459	HDZYLGMIAIAOGA-UHFFFAOYSA-N	294.351	1.877	10	20	CDCD	
NC(=O)c1cccc(NC(=O)Cc2ccc(N)cc2)c1	40311805	HECQQXUOOBJJMM-UHFFFAOYSA-N	269.304	1.549	10	20	CDCD	
O=C(C[C@@H]1CCNC1)NCc1ccc(N2CCCC2)cc1	190116689	IZFOICUSWGUHGW-HNNXBMFYSA-N	287.407	1.903	10	20	CDCD	
Cc1cccc(CN2CC[C@H](n3cncn3)C2)c1O	364514586	YDXKWVHEUBJEMT-ZDUSSCGKSA-N	258.325	1.739	10	20	CDCD	
COC(=O)[C@@H]1CN(Cc2cccc(OC)c2O)C[C@H]1C	366373667	NABKRLBGNMHPQX-ZYHUDNBSSA-N	279.336	1.642	10	20	CDCD	
C[C@@H](CC[S@](C)=O)NC(=O)c1c(F)ccc(O)c1O	294804268	CDWXVCZHBHWGRX-IIYDVTGLSA-N	289.328	1.124	10	20	CDCD	
CCOCc1nnc(N(C)Cc2ccccc2O)n1C	809821283	PNYUEDPNEHULSK-UHFFFAOYSA-N	276.340	1.694	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2cnn(CCF)c2)c1	806858137	DQXWEMJMMGTOSF-UHFFFAOYSA-N	293.298	1.497	10	20	CDCD	
O=C1CN(Cc2ccccc2O)C(=O)N1C[C@@H]1CCOC1	819164541	JREYCFXSSJALDE-NSHDSACASA-N	290.319	1.193	10	20	CDCD	
COc1ccc(N2CC[C@H](CNC(=O)[C@H](C)O)C2)cc1	819587507	ZZVXWJLKUKXHTI-NWDGAFQWSA-N	278.352	1.019	10	20	CDCD	
O=C1NC(=S)S/C1=C/c1cnn(CC(F)F)c1	814183575	KSEGFBQODXIYJG-LZCJLJQNSA-N	275.305	1.637	10	20	CDCD	
C[C@@H](NCC(F)(F)CN)c1cc([N+](=O)[O-])ccc1O	817966466	OJWOFUJEQQQPKQ-SSDOTTSWSA-N	275.255	1.545	10	20	CDCD	
CCO[C@@H]1COC[C@H]1NCc1cc(F)ccc1O	825196975	RRKYNHGSGHPBLC-DGCLKSJQSA-N	255.289	1.425	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2cnc[nH]2)cc1F	725893485	NDSORMCIEHLUEG-UHFFFAOYSA-N	262.288	1.545	10	20	CDCD	
CCNC(=O)[C@H](C)NCc1cc(Cl)c(C)cc1O	825417388	LUPDAQAJYNPIBE-VIFPVBQESA-N	270.760	1.968	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@H](C)c2cnccn2)c1	907059826	HVTZVGKRSYQNFB-SNVBAGLBSA-N	287.319	1.611	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2nonc2C)c1	735858448	NEIVFRXVGCAKKD-SSDOTTSWSA-N	277.280	1.583	10	20	CDCD	
O=C(CCO)NCc1cccc(Br)c1O	902928282	INZVMVYPPPGKDJ-UHFFFAOYSA-N	274.114	1.153	10	20	CDCD	
COc1ncc(C(=O)NCc2ccccc2O)cn1	734015155	CLASBJYYNMACEC-UHFFFAOYSA-N	259.265	1.121	10	20	CDCD	
Cc1nc([C@@H]2CCN(C(=O)c3cc(O)cs3)C2)n[nH]1	839882822	XUJCGTVYSWIALV-MRVPVSSYSA-N	278.337	1.510	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1[C@H]2CCC(=O)[C@H]21	905447802	GRKAPTGKCLBFQH-CWRNSKLLSA-N	286.375	1.936	10	20	CDCD	
CCOc1ccc(CN2CC[C@@H](CNC)C2)c(O)c1	843052535	NCNMHGNNEZAAET-LBPRGKRZSA-N	264.369	1.832	10	20	CDCD	
COC[C@H](C)NC(=S)NCc1ccc(N(C)C)c(F)c1	746685086	LEHPNSVHBHGDNI-JTQLQIEISA-N	299.415	1.891	10	20	CDCD	
O=C(O)[C@]1(C(=O)NCc2ccccc2O)CC=CCC1	846704034	ZVBMVPWOTRMGSZ-OAHLLOKOSA-N	275.304	1.820	10	20	CDCD	
CC[C@@]1(O)CCN(C(=O)NCCc2ccc(N)cc2)C1	841959098	KTOLGEWMSCOENK-OAHLLOKOSA-N	277.368	1.368	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2ccc(C(N)=O)o2)c1	747419026	PKVTZPXMDADQEY-UHFFFAOYSA-N	290.275	1.023	10	20	CDCD	
Cc1ncc2n1C[C@@H](C(=O)NCCc1ccc(N)cc1)CC2	911783805	ZBXSQEWSWSFUMG-AWEZNQCLSA-N	298.390	1.695	10	20	CDCD	
Oc1ccc(CCNC(=S)NC2CC2)cc1O	916114537	PLNRFASYZJBBFP-UHFFFAOYSA-N	252.339	1.267	10	20	CDCD	
OC[C@H]1CN(Cc2c(O)ccc(Cl)c2F)CC[C@@H]1O	840974911	JKTPWQBGOJVCFM-KCJUWKMLSA-N	289.734	1.360	10	20	CDCD	
C[C@@H](NC(=O)N1CCC[C@H](N)C1)c1ccc(N(C)C)cc1	841883971	XHAMWRDABOZKAO-OCCSQVGLSA-N	290.411	1.946	10	20	CDCD	
O=C1CCCN1CCNCc1cc(Cl)c(F)cc1O	846086232	MTWZGEYVWWOIGM-UHFFFAOYSA-N	286.734	1.897	10	20	CDCD	
CN(C)[C@@]1(CNC(=O)Nc2ccc(N)cc2)CCSC1	841299937	MGGXRUAZTWVYRF-CQSZACIVSA-N	294.424	1.828	10	20	CDCD	
O=C(OCCOCC(F)F)c1cccc(O)c1O	758561729	RBWIANIEJJUXFJ-UHFFFAOYSA-N	262.208	1.536	10	20	CDCD	
COC[C@](C)(CC(=O)OC)NCc1cc(C)ccc1O	757926493	MAIIHPIALJMDFY-HNNXBMFYSA-N	281.352	1.758	10	20	CDCD	
CN(C[C@H]1CCC[C@H]1O)C(=O)c1cc(O)cs1	755329578	VOECQLRRGIPSKY-PSASIEDQSA-N	255.339	1.687	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cccnc1O	935947196	UUGJOZCAGHHSFH-UHFFFAOYSA-N	293.319	1.909	10	20	CDCD	
COc1cccc(O)c1CN(CCS(C)(=O)=O)C1CC1	769523867	IFGPTRPUQGAGNF-UHFFFAOYSA-N	299.392	1.410	10	20	CDCD	
CCOC[C@@H]1CCN(Cc2cc3c(cc2O)OC[C@H]3O)C1	768464192	ODDPJQABKXWDNA-IAQYHMDHSA-N	293.363	1.676	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)NC[C@H]2C[C@H](O)C2)c1	872125492	BHFJMYBTJMSHJD-CKYFFXLPSA-N	279.336	1.600	10	20	CDCD	
Cc1ccc(CN(C)[C@H](C)[C@H](C)S(C)(=O)=O)c(O)c1	876739341	OWBNBNPPAVWTLB-NEPJUHHUSA-N	285.409	1.954	10	20	CDCD	
COC[C@@H](O)CCN[C@H](C)c1c(O)cccc1F	886558823	STYODXOFNABPRB-ZJUUUORDSA-N	257.305	1.579	10	20	CDCD	
Cc1cccc(O)c1CN[C@H](C)[C@H]1CN(C)CCO1	877099263	DUXVZDYOIDJVLG-IUODEOHRSA-N	264.369	1.509	10	20	CDCD	
C[C@@H]1CCN(Cc2ccc(N(C)C)c(F)c2)[C@H](C(N)=O)C1	779203372	BXYAXDVKFRSLKA-ABAIWWIYSA-N	293.386	1.978	10	20	CDCD	
COc1ccc(N(CC(=O)O)CC(=O)N(C)C2CC2)cc1	872896828	YNGHEZGXCMTIFM-UHFFFAOYSA-N	292.335	1.207	10	20	CDCD	
CCO[C@@H]1COCC[C@H]1NCc1cc(F)cc(F)c1O	883087938	NGYSWNIBTCFEFI-CHWSQXEVSA-N	287.306	1.954	10	20	CDCD	
COc1cccc(CNC(=O)c2nccs2)c1O	770404318	MXFOCBBTVGQFER-UHFFFAOYSA-N	264.306	1.787	10	20	CDCD	
Cc1ccc(C(=O)N2CCN(C)[C@H](C)[C@@H]2C)c(O)c1O	781015560	WXFIDDHGQBWNPL-MNOVXSKESA-N	278.352	1.571	10	20	CDCD	
CC(C)(C(=O)NCc1ccc(N)cc1)S(=O)(=O)C1CC1	1122445139	NGUDQFJBRKUEOH-UHFFFAOYSA-N	296.392	1.241	10	20	CDCD	
Cc1ccc(C(=O)OCCC[C@H](C)O)c(O)c1O	795481613	GJFBZGGSDHNPJM-VIFPVBQESA-N	254.282	1.724	10	20	CDCD	
C[C@H]1COC(C)(C)CN1Cc1cc2c(cc1O)OC[C@@H]2O	792727405	OLHVANHNWWUIDZ-HZMBPMFUSA-N	293.363	1.817	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CCOC[C@H]2C)c1O	37323409	SQTQMNBMMJGMJE-SECBINFHSA-N	267.300	1.955	10	20	CDCD	
CC[C@@H](NC(=O)NCc1ccc(N)cc1)C(C)(C)O	1335724081	FXBKPOWMVOWNCQ-GFCCVEGCSA-N	265.357	1.618	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1cccc(N)n1	1261457335	GDWXHHNQEALYGH-UHFFFAOYSA-N	284.363	1.968	10	20	CDCD	
Cc1ccc(O)c(CNS(=O)(=O)c2cn(C)c(C)n2)c1	1351396237	UFCXDBPSBBXNQJ-UHFFFAOYSA-N	295.364	1.221	10	20	CDCD	
C[C@@H]1[C@H](C(=O)NCc2cccc(O)c2O)CCN1C	1520508523	DTAVPDRKMFUEFI-MWLCHTKSSA-N	264.325	1.054	10	20	CDCD	
O=C(O)c1cnc(C(=O)N2Cc3cccc(O)c3C2)cn1	1606536732	ZMWOPNPMFXAYED-UHFFFAOYSA-N	285.259	1.036	10	20	CDCD	
COc1ccc(CNC/C=C\CN)cc1Cn1cccn1	1579216432	UMYWZBQXFBQDGD-IHWYPQMZSA-N	286.379	1.545	10	20	CDCD	
COc1cc(O)c(CN(C)CC(=O)NC(C)C)cc1OC	159507047	PXJXMTBWZDHXMP-UHFFFAOYSA-N	296.367	1.366	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CCCO1	159700534	HLLZUCOYLGJRIS-ZDUSSCGKSA-N	276.336	1.657	10	20	CDCD	
Oc1ccc(Cl)cc1CNC[C@@H]1CN2CCC[C@@H]2CO1	112839334	GIANITUMOFASPP-ZIAGYGMSSA-N	296.798	1.998	10	20	CDCD	
C[C@@H]1OCC[C@]1(O)CNCc1ccc2c(c1)CCO2	227981468	BGLGKQJGVFRIIT-NHYWBVRUSA-N	263.337	1.251	10	20	CDCD	
CCN(CC)c1ccc(CNC[C@@]2(O)CCOC2)cc1	229641471	QQGRQDWURMQZOK-INIZCTEOSA-N	278.396	1.774	10	20	CDCD	
NCCCCNCc1ccc(N2CCOCC2)cc1	37715163	BAUMDDFIQCOEDD-UHFFFAOYSA-N	263.385	1.352	10	20	CDCD	
COc1ccc(O)c([C@H](C)N[C@H]2CCC[C@@H]2O)c1	186067048	SKVAJKNBLAXPAR-WFBYXXMGSA-N	251.326	1.965	10	20	CDCD	
O=C(NCCC[C@@H]1CCOC1)c1cccc(O)c1O	401402821	PBWBDNQGCMPZQU-SNVBAGLBSA-N	265.309	1.644	10	20	CDCD	
CN(C[C@H]1CCOC1)C(=O)NCc1ccc(N(C)C)cc1	175153430	XHGYFUSEAKHVND-CQSZACIVSA-N	291.395	1.931	10	20	CDCD	
C[C@@H](CC(=O)O)CC(=O)N(C)Cc1ccccc1O	61836737	KOGUNYTYVVRQEZ-SNVBAGLBSA-N	265.309	1.852	10	20	CDCD	
Cc1ccc(C(=O)N2CCC[C@](C)(O)C2)c(O)c1O	182965240	ZVNZVCYQHRHHJN-AWEZNQCLSA-N	265.309	1.393	10	20	CDCD	
O=C(NC[C@H](O)c1ccc(F)cc1)c1cccc(O)c1O	186915249	ZXFFGWCHQOKDLC-ZDUSSCGKSA-N	291.278	1.700	10	20	CDCD	
COc1ccc(O)c(CN2CC[C@@H](N)C[C@H]2C)c1	131456862	WXSGRLGZVMKQLB-ZYHUDNBSSA-N	250.342	1.712	10	20	CDCD	
Cc1ccc(O)c([C@H](C)NC[C@]2(O)CCOC2)c1	186177582	ZFWRFAQUJIQDOK-SMDDNHRTSA-N	251.326	1.503	10	20	CDCD	
Oc1cc2c(cc1CNC[C@@H](O)c1ccccc1)OCO2	42879722	FMOFTYDDSWGDLN-CQSZACIVSA-N	287.315	1.944	10	20	CDCD	
Cc1ccc(O)c(CN[C@@H](C)C(=O)N2CCCC2)c1	134653428	FDIKGTRKRFNNQI-LBPRGKRZSA-N	262.353	1.801	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NC[C@H]1CC[C@H](O)C1	191181207	QUKFNQKNWJCGHI-NDYVEPOPSA-N	277.320	1.388	10	20	CDCD	
C[C@H](N[C@H](C)CCS(C)(=O)=O)c1ccccc1O	183565658	ISSFAFQMLVUMDI-MNOVXSKESA-N	271.382	1.866	10	20	CDCD	
CN(C)C(=O)c1ccc(NCc2ccc(N(C)C)cc2)nn1	269631933	FROICXHGRNHYAT-UHFFFAOYSA-N	299.378	1.857	10	20	CDCD	
Cc1noc(C)c1CC(=O)NCCc1ccc(O)c(O)c1	269184302	ITMSFELLMWJYQG-UHFFFAOYSA-N	290.319	1.604	10	20	CDCD	
COc1cc(O)c(CN2CCO[C@@H]3C[C@@H]32)cc1OC	368313844	WZQBEQAYIVZPHZ-CMPLNLGQSA-N	265.309	1.383	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1nncs1	530186273	JZNUCMXMJYPENQ-ZETCQYMHSA-N	279.321	1.310	10	20	CDCD	
CO[C@H](C(=O)NCc1ccccc1O)c1cnn(C)c1	282910592	XETZDQISUFXPNF-ZDUSSCGKSA-N	275.308	1.130	10	20	CDCD	
CC(=O)C(=O)CSc1nnc(-c2ccoc2C)o1	808013456	CMKOTEROYNKKMV-UHFFFAOYSA-N	266.278	1.888	10	20	CDCD	
CO[C@H]1COC[C@@H]1N[C@H](C)c1ccc(C)cc1O	290301098	YVRHBTBSAAWXIH-OSMZGAPFSA-N	251.326	1.765	10	20	CDCD	
CO[C@@H](CNC(=O)c1c(F)ccc(O)c1O)C(C)C	295291311	MWCAATPUPQDJIW-JTQLQIEISA-N	271.288	1.638	10	20	CDCD	
COC(=O)[C@@H]1COCCN1Cc1ccc(N(C)C)c(C)c1	293745438	IDPMFBDLAPLJGX-HNNXBMFYSA-N	292.379	1.435	10	20	CDCD	
OC[C@]1([C@@H](NCc2cc(F)ccc2O)C2CC2)CCCO1	816666299	JOUHYNFRHLETKZ-HOTGVXAUSA-N	295.354	1.941	10	20	CDCD	
COCCNCCN[C@@H](C)c1cc([N+](=O)[O-])ccc1O	817964851	LELSJZMDNFHOJJ-JTQLQIEISA-N	283.328	1.187	10	20	CDCD	
Cc1ccc(C(=O)N2C[C@H](CO)OC(C)(C)C2)c(O)c1O	817626550	BCCYMMQAGYGSFY-SNVBAGLBSA-N	295.335	1.018	10	20	CDCD	
CCCN(CC(N)=O)Cc1ccc(N(C)C)c(C)c1	815120348	HDNQMMKNQWLMPK-UHFFFAOYSA-N	263.385	1.758	10	20	CDCD	
C[C@@H](NC(=O)[C@H](C)[C@H]1CCC(=O)N1)c1ccccc1O	827952062	FECQZHGNNDUXRX-CKYFFXLPSA-N	276.336	1.484	10	20	CDCD	
CC[C@@H](NCc1cc([N+](=O)[O-])ccc1O)[C@@H](C)O	824920911	BXZFSHTWZJMKAH-LDYMZIIASA-N	254.286	1.549	10	20	CDCD	
CNC(=O)C1(C(=O)N[C@H](C)c2ccccc2O)CCC1	827937279	QNAZGKZXXRVIRP-SNVBAGLBSA-N	276.336	1.486	10	20	CDCD	
COC[C@]1(CO)CCN(Cc2cc(C)c(C)cc2O)C1	825158418	LCEDICMXMYSBDX-MRXNPFEDSA-N	279.380	1.840	10	20	CDCD	
CCc1cc(CNC(=O)NCc2ccccc2O)n[nH]1	738488154	IOQMEJFWTMEQRN-UHFFFAOYSA-N	274.324	1.677	10	20	CDCD	
CN[C@@H](C)C(=O)N1CCOc2cc(N(C)C)ccc21	581199677	LDFVIWOHYOUFOH-JTQLQIEISA-N	263.341	1.086	10	20	CDCD	
CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1cc(O)cs1	731871228	HEUKJROZJIGEQT-HTQZYQBOSA-N	270.354	1.487	10	20	CDCD	
CCOc1ccc(N(C)CC(=O)NCCC(=O)O)cc1	737202524	GAALCLOADCNNHS-UHFFFAOYSA-N	280.324	1.112	10	20	CDCD	
CCOC(=O)[C@@H](CC)C(=O)NCCc1ccc(O)c(O)c1	839713121	UGKMNGLSAAVUQS-NSHDSACASA-N	295.335	1.346	10	20	CDCD	
CC(C)(C)NC(=O)CCNC(=O)c1cc(O)cs1	732285699	LHMVILHSFZFCBC-UHFFFAOYSA-N	270.354	1.488	10	20	CDCD	
Oc1cc2c(cc1CN1CCn3cccc3C1)OCO2	905745731	RMSDHBPTSSTRDD-UHFFFAOYSA-N	272.304	1.938	10	20	CDCD	
O=C(NCc1ccccc1O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2	837482967	YASHRHWNQRXJPJ-WCQGTBRESA-N	259.305	1.624	10	20	CDCD	
CC(C)n1[nH]cnc1=NC(=O)c1c(F)ccc(O)c1O	839927222	ZAFWYTYCKOULHW-UHFFFAOYSA-N	280.259	1.084	10	20	CDCD	
CC(=O)c1cc(F)cc(CN[C@@]2(C(=O)O)CCOC2)c1O	833400388	FSONEXMVOPQEDK-AWEZNQCLSA-N	297.282	1.067	10	20	CDCD	
CCc1nncn1CCNC(=O)NCc1ccccc1O	743700052	RTMTTYKPQZNURC-UHFFFAOYSA-N	289.339	1.046	10	20	CDCD	
CCn1ncc(CNCc2ccc3c(c2)CCCN3C)n1	838918622	SREJBZHDUOLKAF-UHFFFAOYSA-N	285.395	1.970	10	20	CDCD	
CC(C)OC(=O)[C@@H](C)CNC(=O)c1cc(O)cs1	743737297	ZLJAGKKZGRINDF-QMMMGPOBSA-N	271.338	1.771	10	20	CDCD	
C[C@@H]1CN(C(=O)C(=O)Nc2ccc(N)cc2)CC[C@H]1C	841081145	VQCZSYAAVJVBMD-GHMZBOCLSA-N	275.352	1.712	10	20	CDCD	
COc1cccc([C@@H](C)NCCN2CCC(O)CC2)c1O	846168853	MRWCMUUKLXVWRL-GFCCVEGCSA-N	294.395	1.508	10	20	CDCD	
C[C@H]1CCNC[C@H]1NCc1ccc(N2CCOCC2)cc1	841059231	NQUDPRAMTGFBHB-WMLDXEAASA-N	289.423	1.611	10	20	CDCD	
CC(=O)NC(C)(C)C(=O)NCc1cc(Cl)ccc1O	846471802	AXOYXMOAPXVWCX-UHFFFAOYSA-N	284.743	1.577	10	20	CDCD	
CCOC[C@@H](O)CNCc1ccc(N(C)C)cc1C	840933072	FCFBKHRCRNBOHS-HNNXBMFYSA-N	266.385	1.548	10	20	CDCD	
C[C@H]1CCCN1Cc1cc(O)n2ncc(C(=O)O)c2n1	846246759	RPKHWVHIEMLEAA-QMMMGPOBSA-N	276.296	1.117	10	20	CDCD	
COc1cc(O)c(CN[C@@H](C)C[C@@H](C)N)cc1OC	843129906	TXNWOVDXNAOZIZ-ZJUUUORDSA-N	268.357	1.625	10	20	CDCD	
COC(=O)[C@@H](CNC(=O)c1cc(O)cs1)CC1CC1	846659720	WKQHPTWZCZGGPR-SECBINFHSA-N	283.349	1.773	10	20	CDCD	
Nc1ccc(NC(=O)C(=O)N2CC[C@H](C3CC3)C2)cc1	841076611	KBDXKIRKQFCOBJ-NSHDSACASA-N	273.336	1.466	10	20	CDCD	
CCCCNC(=O)NC[C@@H](N)c1ccc(N(C)C)cc1	850587328	WNXAXKLXECRNDY-CQSZACIVSA-N	278.400	1.852	10	20	CDCD	
CN(C)C(=O)CCNCc1cc(F)c(N(C)C)cc1F	858117135	ATEVDZNVHNIKET-UHFFFAOYSA-N	285.338	1.599	10	20	CDCD	
Cc1nnc(NC(=O)/C=C/c2ccc(O)c(O)c2)n1C	753131410	YBVDZLDFPLNYEQ-GQCTYLIASA-N	274.280	1.187	10	20	CDCD	
CCN(CC)c1ccc(CNCC(=O)NOC)cc1	922831044	XVBXDLLMKWSNBD-UHFFFAOYSA-N	265.357	1.300	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C1(N(C)C)CC1	854324722	NTGMAZMXXCSVJK-UHFFFAOYSA-N	275.396	1.805	10	20	CDCD	
COCc1nc(COC(=O)c2ccc(C)c(O)c2O)no1	759509077	FBPJVUMYTMONDZ-UHFFFAOYSA-N	294.263	1.293	10	20	CDCD	
C[C@@H](NC(=O)N[C@H]1C(=O)NCC[C@H]1C)c1ccccc1O	868578918	LXSUXPPOFWIJCD-GIPNMCIBSA-N	291.351	1.277	10	20	CDCD	
COc1ccnc(CNC(=O)c2cc(O)cs2)c1	765109078	XQPPXBWWKWIPSE-UHFFFAOYSA-N	264.306	1.787	10	20	CDCD	
C[C@@H](N)CN(C)C(=O)NCc1ccc(N2CCCC2)cc1	861557717	SXKCGYQJAMWPGW-CYBMUJFWSA-N	290.411	1.775	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)Cc2c(C)n[nH]c2C)c1	862760349	PRGKGFXTCNELMW-UHFFFAOYSA-N	273.336	1.899	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCOC[C@H]1C1CC1	760998109	PAYLVLQOPTVAAH-JTQLQIEISA-N	253.323	1.705	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CC(OCC(F)F)C1	779532835	WOGWDSOTHBYEHB-DUXPYHPUSA-N	299.273	1.604	10	20	CDCD	
COC(=O)c1ccc(COC(=O)c2cccc(O)c2O)o1	776280645	VQGSMRNDTZCQMU-UHFFFAOYSA-N	292.243	1.834	10	20	CDCD	
C[C@H](NC[C@@H]1COCCO1)c1c(O)cccc1F	886507572	QIOXIIIEXMQLIN-VHSXEESVSA-N	255.289	1.597	10	20	CDCD	
COc1cccc(CN2C[C@H]3[C@@H](O)CC[C@H]3C2)c1O	895784799	MMIMCOYMRYMGTD-UHTWSYAYSA-N	263.337	1.604	10	20	CDCD	
COc1cc(C)cc(CNCCc2cnccn2)c1O	894371400	ANLAZZKUPMRCMJ-UHFFFAOYSA-N	273.336	1.832	10	20	CDCD	
CC(C)[C@@H]1CN(C(=O)c2cccc(O)c2O)CCN1	707553435	XSRBPAHCAVTNQS-NSHDSACASA-N	264.325	1.168	10	20	CDCD	
CCc1cccc(CNC[C@@]2(O)CCOC2)c1O	691482116	JMCYVNXNVBFZBD-AWEZNQCLSA-N	251.326	1.196	10	20	CDCD	
CCN(CCNC(=O)NCc1ccc(N)cc1)C(C)C	1336797521	UAJFTRPQDNHHDH-UHFFFAOYSA-N	278.400	1.798	10	20	CDCD	
Cc1nn(C)cc1CCC(=O)NCc1ccc(O)cc1O	1332165130	JRXDXNCTVZEKIS-UHFFFAOYSA-N	289.335	1.389	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)[C@H]1CCSC1	762268559	KOXSQNCVTUJZBC-JTQLQIEISA-N	267.350	1.510	10	20	CDCD	
C[C@H](NC[C@@H]1CN(C)CCN1C)c1cc(F)ccc1O	94618237	DDGDQEYVHYGYTN-WCQYABFASA-N	281.375	1.428	10	20	CDCD	
CN(C)c1cc(F)c(CNC[C@H](F)C(=O)O)cc1F	1334091221	YJWNCHAGHLTAQC-JTQLQIEISA-N	276.258	1.543	10	20	CDCD	
Nc1ccc(CNC(=O)NC2CC(F)(F)C2)cc1	1262581077	HVTFVBOOYFMHSW-UHFFFAOYSA-N	255.268	1.866	10	20	CDCD	
Cc1cc(O)c(CN2C[C@H](C)O[C@H](C(=O)O)C2)cc1C	1607698729	FCUGIPSIHBCALL-FZMZJTMJSA-N	279.336	1.683	10	20	CDCD	
C[C@H](CN(C)C(=O)c1c(F)ccc(O)c1O)C(=O)O	1589028384	ABEUPTCOTYCUGI-ZCFIWIBFSA-N	271.244	1.030	10	20	CDCD	
C[C@H](NC(=O)[C@]1(C(=O)O)CCCO1)c1ccccc1O	1594234658	WBYLFEDTWDNHGL-XPTSAGLGSA-N	279.292	1.203	10	20	CDCD	
C[C@H](N[C@@H]1CC[C@@H](CN)C1)c1cc(C(=O)O)ccc1O	1593222553	KYMDPROZUMLTJC-HOSYDEDBSA-N	278.352	1.868	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@@]1(F)CCNC1	169104976	WKTIPWXMWZVFHI-OAHLLOKOSA-N	279.359	1.379	10	20	CDCD	
COc1ccc(O)c(CN2CCC3(CCNC3)CC2)c1	843128469	XTUHGQRQSCEEEC-UHFFFAOYSA-N	276.380	1.976	10	20	CDCD	
COc1ccc(O)c(CN2C[C@@H]3CCC[C@@H](N)[C@H]3C2)c1	252877061	WNWKOKDBTLKUQM-TUKIKUTGSA-N	276.380	1.960	10	20	CDCD	
COc1cc(Cl)cc(CN2CC[C@@H](C(N)=O)C2)c1O	184670844	RALDYBXRPKORPV-MRVPVSSYSA-N	284.743	1.361	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@H]2CCC[C@@H](N)C2)cc1	70577458	CEBYSDILFHCGAC-ZIAGYGMSSA-N	275.396	1.886	10	20	CDCD	
CCOc1cccc(CN2C[C@@H](C)[C@H](C(=O)O)C2)c1O	86774755	USTHAURLMVCZNF-ZYHUDNBSSA-N	279.336	1.943	10	20	CDCD	
COC[C@](C)(O)CN[C@H](C)c1ccc(F)cc1O	382544682	FLHUNPORKQAJGL-NOZJJQNGSA-N	257.305	1.579	10	20	CDCD	
O=C(CN[C@H]1CCc2cccc(O)c21)NCC1CC1	393048836	DWWDSZMNOALLHV-LBPRGKRZSA-N	260.337	1.495	10	20	CDCD	
CN(C)c1ccc(CN2CCSC[C@@H]2C(=O)O)cc1	840998981	IXVMIHBCOFRSNF-CYBMUJFWSA-N	280.393	1.755	10	20	CDCD	
Cc1ccc(C(=O)NC[C@@H]2CCCN(C)C2)c(O)c1O	179488097	CNBVMCDSXPKZJW-NSHDSACASA-N	278.352	1.478	10	20	CDCD	
CC(C)[C@H](C(=O)NCc1ccc(N(C)C)cc1)N(C)C	106426903	ZQKQUVIYJKLYOT-OAHLLOKOSA-N	277.412	1.955	10	20	CDCD	
CCNC(=O)CNCc1ccc(N(C)C)c(F)c1	113314144	FVRHUJZWPHCJBK-UHFFFAOYSA-N	253.321	1.117	10	20	CDCD	
COc1ccc(O)c([C@@H](C)N[C@H]2CCC[C@@H]2O)c1	186067064	SKVAJKNBLAXPAR-LQJRIPTKSA-N	251.326	1.965	10	20	CDCD	
O=C(O)C[C@H]1CCCN1C(=O)c1cccc(O)c1O	126010617	RNGJIYWLMNOZBY-MRVPVSSYSA-N	265.265	1.177	10	20	CDCD	
Cc1ccc(O)c(CN(C)CC2(O)CCOCC2)c1	188843956	BRNYOTDHDOCMNS-UHFFFAOYSA-N	265.353	1.674	10	20	CDCD	
COc1cccc(CNC(=O)c2cccc3nn[nH]c23)c1O	188551426	CSCFPBYJNDDGDM-UHFFFAOYSA-N	298.302	1.602	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)NC[C@H]1CCCO1	42866459	REZAIFGFJSDVLY-GFCCVEGCSA-N	264.325	1.713	10	20	CDCD	
COCCN(CCO)Cc1ccc(N(C)C)c(F)c1	130887777	FPLOMWRGFGIOGT-UHFFFAOYSA-N	270.348	1.332	10	20	CDCD	
COc1ccc(O)c(CN[C@@H]2C(=O)NCC[C@H]2C)c1	195006876	BGWABKITWHHUSW-RNCFNFMXSA-N	264.325	1.015	10	20	CDCD	
OCCOCCCNCc1cc(Cl)ccc1O	227335359	GZALXRPCMFJPRM-UHFFFAOYSA-N	259.733	1.534	10	20	CDCD	
CN1CCN(Cc2cc(Cl)ccc2O)[C@@H](CN)C1	226610166	BVQGBGHOSFMQGB-LBPRGKRZSA-N	269.776	1.120	10	20	CDCD	
CCN(Cc1ccccc1O)[C@@H](C)CS(C)(=O)=O	179575029	UPFCGRGSHSPFIB-NSHDSACASA-N	271.382	1.647	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@@]12CCNC2	364154438	DLHSHADBUNURHH-SWLSCSKDSA-N	260.337	1.350	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)NCCCOCCO)c1	273438743	MLJLZXIVSDQSAY-LLVKDONJSA-N	297.351	1.228	10	20	CDCD	
C[C@@H](NCC(C)(C)OCCO)c1cc([N+](=O)[O-])ccc1O	287515242	ZHUGKYDVUJHIFL-SNVBAGLBSA-N	298.339	1.739	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)OCC(=O)C(F)F	800186552	FDCBEXAHIVLMNV-RQOWECAXSA-N	272.203	1.488	10	20	CDCD	
COc1cccc(CNC(=O)c2nc(C)oc2C)c1O	293702397	MTQZXICDKACGSB-UHFFFAOYSA-N	276.292	1.936	10	20	CDCD	
CS(=O)(=O)NCc1cc(Cl)cc(Cl)c1O	805135634	PJTUGQUUMLWSQZ-UHFFFAOYSA-N	270.137	1.748	10	20	CDCD	
CO[C@@H](C)CN(C)C(=O)c1ccc(C)c(O)c1O	804840183	HRYRNHRUBGTGRN-VIFPVBQESA-N	253.298	1.513	10	20	CDCD	
CCCN1C[C@@H](CNCc2ccccc2O)CC1=O	817410846	INFOMGDBVFEMAE-GFCCVEGCSA-N	262.353	1.740	10	20	CDCD	
COc1ccc(N(C)CCN(C)C(=O)[C@@H](C)N(C)C)cc1	824209187	XFNPTQBQBNAZRF-CYBMUJFWSA-N	293.411	1.540	10	20	CDCD	
COC(=O)CCN(C(=O)c1cc(O)cs1)C(C)C	827594702	IMEJPQZZAPUMEW-UHFFFAOYSA-N	271.338	1.867	10	20	CDCD	
CSCC[C@H](O)C(=O)NCc1ccc(N(C)C)cc1C	825980847	LTZJTKJDDLHKFE-AWEZNQCLSA-N	296.436	1.791	10	20	CDCD	
NC1(CNCc2cc(Br)ccc2O)CC1	904451657	YULIAEWGVXNIQC-UHFFFAOYSA-N	271.158	1.736	10	20	CDCD	
CC[C@H](N[C@@H](C)c1cc(C(=O)OC)ccc1O)[C@H](C)O	834886273	BDXFYSZTYUUJHD-KWBADKCTSA-N	281.352	1.989	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NC[C@@]2(C)CCOC2)cc1	733332481	BHIVENHCECGXDH-MRXNPFEDSA-N	291.395	1.978	10	20	CDCD	
CC[C@@H](NC(=O)c1cccc(O)c1O)[C@@H](O)C(C)C	839866432	FLLIMFDAGHGIMQ-PWSUYJOCSA-N	267.325	1.623	10	20	CDCD	
CCC[C@H]1C(=O)NCCN1C(=O)Nc1ccc(N)cc1	841297491	FKRKFDPKTXSLIC-LBPRGKRZSA-N	276.340	1.401	10	20	CDCD	
C[C@@H](O)[C@@H]1CCCN(C(=O)c2cc(O)cs2)C1	747617036	NYOOQXZDFDWIRM-RKDXNWHRSA-N	255.339	1.687	10	20	CDCD	
COc1ccc(N2CC[C@@H](CNC3=NC[C@H](C)N3)C2)cc1	849043369	ANRCTXHGFJLBPT-STQMWFEESA-N	288.395	1.459	10	20	CDCD	
COC[C@H](CO)NCc1ccc(N(C)C)cc1C	840940844	HUPRVEARDQORTJ-ZDUSSCGKSA-N	252.358	1.158	10	20	CDCD	
CCCN1CC(=O)N[C@H]1c1cc(Cl)cc([N+](=O)[O-])c1O	840821916	HXLXEMDRRIWTCK-GFCCVEGCSA-N	299.714	1.794	10	20	CDCD	
COc1cc(O)c(CN2CC[C@H]3NCC[C@H]3C2)cc1OC	843126589	KYOKGEFZRDFVRA-WCQYABFASA-N	292.379	1.593	10	20	CDCD	
COc1cc(O)c(CN2CCC[C@@H]([C@H](C)N)C2)cc1OC	843052040	OYTSXZRJJGUCOF-NWDGAFQWSA-N	294.395	1.969	10	20	CDCD	
Oc1cccc(Cl)c1CNC[C@@H]1CNCCO1	841098509	HFSCLSJKCBOTLS-VIFPVBQESA-N	256.733	1.124	10	20	CDCD	
CNC[C@@H](C)NCc1ccc(N2CCN(C)CC2)cc1	853248152	CFANRECCCCAQAM-CQSZACIVSA-N	276.428	1.136	10	20	CDCD	
Cc1cc(CN2CCC[C@H]2C(N)=O)ccc1N(C)C	859662877	GOOPAQNMBKKQJY-AWEZNQCLSA-N	261.369	1.511	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@H]2C[C@H](O)C2)c1	850579470	XXWWHHCYQDGODP-LSJOCFKGSA-N	265.309	1.353	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2ccnnc2C)c1	753788973	RLMRXQYSMMALOI-SECBINFHSA-N	287.319	1.990	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)N[C@@H]2CCN(C)[C@@H](C)C2)c1	858283938	AGQGOKQLUOHZLO-GXTWGEPZSA-N	291.395	1.983	10	20	CDCD	
Cn1nc(C2CC2)nc1C(=O)Nc1ccc(N)cc1	857762754	ANMVLMBNJPYUIN-UHFFFAOYSA-N	257.297	1.527	10	20	CDCD	
CS[C@H](CO)[C@H](C)NC(=O)c1cc(O)cs1	769340432	JVVUAWOPBUUOMA-IMTBSYHQSA-N	261.368	1.296	10	20	CDCD	
COC1(CNCc2ccc(C)cc2O)CCOCC1	877113813	PJUGUQCRLDQFKE-UHFFFAOYSA-N	265.353	1.986	10	20	CDCD	
C[C@H]1C[C@H](N[C@@H]2COC[C@@H]2O)c2c(O)ccc(F)c21	866421224	XSULCXBUFYLBEX-ZFNBHVESSA-N	267.300	1.429	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NCC(=O)C1CCCC1	863059842	RYTLQZDRZLUMJY-SOFGYWHQSA-N	289.331	1.987	10	20	CDCD	
CNS(=O)(=O)CCCN[C@H](C)c1ccc(F)cc1O	866457325	MKRSHJSQAHOMDH-SECBINFHSA-N	290.360	1.121	10	20	CDCD	
CN(C(=O)/C=C\c1ccc(O)c(O)c1)c1cn[nH]c1	1116501879	IQOWYGSHGLUZMV-HYXAFXHYSA-N	259.265	1.497	10	20	CDCD	
CN(CCO)Cc1ccc(N2CCC(O)CC2)cc1	876526011	QGEBMYUPCBRJJL-UHFFFAOYSA-N	264.369	1.072	10	20	CDCD	
Cc1ccc(C(=O)N[C@H]2CCn3ccnc3C2)c(O)c1O	779214730	UFHBINYZGRJINV-JTQLQIEISA-N	287.319	1.348	10	20	CDCD	
CC(C)(C)OC(=O)[C@@](C)(O)CNCc1ccccc1O	776520987	RZNNLYKFFXEGCA-HNNXBMFYSA-N	281.352	1.575	10	20	CDCD	
COc1ccc(O)c(CN2CCN(C)[C@H](C)[C@@H]2C)c1	775985870	PKPFTNUQWNXEDB-NEPJUHHUSA-N	264.369	1.925	10	20	CDCD	
CONC(=O)C1CCN(Cc2c(O)cccc2Cl)CC1	877786786	YQTVLMQVPQSNBI-UHFFFAOYSA-N	298.770	1.935	10	20	CDCD	
Nc1ccc(CCNC(=O)C2(F)CCOCC2)cc1	876528630	TVMVZWGTDUFPMZ-UHFFFAOYSA-N	266.316	1.446	10	20	CDCD	
COC(=O)[C@H]1CCN(C(=O)c2cccc(O)c2O)[C@@H]1C	787499837	AZWUZMMEODKNCX-BDAKNGLRSA-N	279.292	1.121	10	20	CDCD	
Cc1ccc(O)c(CN2CCC3(CC2)CNC(=O)C3)c1	271181659	LFOFHJNQJAXYQO-UHFFFAOYSA-N	274.364	1.803	10	20	CDCD	
CCO[C@@H]1C[C@H](NCc2ccc(OC)cc2O)[C@H]1OC	894185871	TUPIBZZWXXTTIX-NWANDNLSSA-N	281.352	1.683	10	20	CDCD	
Cc1ccc(C(=O)NCCc2cnccn2)c(O)c1O	781013000	KBQGKBHEGLXBNK-UHFFFAOYSA-N	273.292	1.169	10	20	CDCD	
Nc1cc(COC(=O)/C=C\c2ccc(O)c(O)c2)ccn1	792042319	SHDRWJCDGTWLTF-RQOWECAXSA-N	286.287	1.832	10	20	CDCD	
CC[C@@H]1CC[C@@H](C(=O)NCc2ccc(OC)cc2O)O1	794374485	UYXMZMHZCQBFRO-RISCZKNCSA-N	279.336	1.975	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CCCC(=O)N2)c1	799698405	VMEFAFGUIFLQDH-JOYOIKCWSA-N	292.335	1.247	10	20	CDCD	
COc1ccc(CNCCC(=O)N(C)C)cc1C	37752054	AOAWRYFZSAQKCD-UHFFFAOYSA-N	250.342	1.572	10	20	CDCD	
C[C@]1(CO)CCCN(C(=O)/C=C\c2ccc(O)c(O)c2)C1	1319922412	QKJFOPFHGQWZJK-LEXSJLIMSA-N	291.347	1.732	10	20	CDCD	
COCC1(O)CN(Cc2ccc(N3CCCC3)cc2)C1	1325501439	HDKYLNNFRFWNAF-UHFFFAOYSA-N	276.380	1.480	10	20	CDCD	
c1cc(N2CCOCC2)ccc1CN[C@@H]1CCCOC1	109544403	YDGOECSXCFZIHU-OAHLLOKOSA-N	276.380	1.792	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)C(=O)NC[C@@H]1CC1(C)C	1326621906	AIWWIRREEAZIKK-LBPRGKRZSA-N	290.363	1.513	10	20	CDCD	
Cn1cnc([N+](=O)[O-])c1NCCc1ccc(O)c(O)c1	749287485	NYSAOEQEPAZKAL-UHFFFAOYSA-N	278.268	1.394	10	20	CDCD	
Nc1ccc(CNC(=O)NC[C@@H]2CCC[C@@H](O)C2)cc1	1338793769	UYNPONMROJJVQL-TZMCWYRMSA-N	277.368	1.619	10	20	CDCD	
O=C(O)C1(CNCc2cc(F)cc(F)c2O)CC1	1334056627	QXFUPGXPDVCNHS-UHFFFAOYSA-N	257.236	1.625	10	20	CDCD	
C[C@@H](Cc1cnn(C)c1)NC(=O)NCc1ccc(N)cc1	1338625021	OLVOHKZJJYFPOE-NSHDSACASA-N	287.367	1.433	10	20	CDCD	
CC[C@@H](C)NC(=O)CCNC(=O)NCc1ccc(N)cc1	1336975514	PJBNQHMEJAZHFT-LLVKDONJSA-N	292.383	1.373	10	20	CDCD	
Cn1c(CNC(=O)Cc2ccc(N)cc2)nnc1C1CC1	1346029750	RJLFWIFOZJCXCN-UHFFFAOYSA-N	285.351	1.134	10	20	CDCD	
O=C(NCc1cccc(O)c1O)[C@H]1CCn2ccnc2C1	1349079974	VEEXHXYDTCBHKO-JTQLQIEISA-N	287.319	1.173	10	20	CDCD	
COc1ccc(O)c(CN[C@@H](CO)C(C)(C)C)c1	205817450	CHLRSYHCFZXYGB-ZDUSSCGKSA-N	253.342	1.897	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)N=c1cc[nH]c(C(=O)O)n1	1604233473	WWFCYAFGMZZATN-QMMMGPOBSA-N	289.291	1.051	10	20	CDCD	
O=C(O)[C@@H]1OCC[C@@H]1NCc1cc(F)c(F)cc1O	1602203196	RTRFFYVAFVGFEZ-GXSJLCMTSA-N	273.235	1.002	10	20	CDCD	
C[C@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)C(=O)O	1589131192	DMNUKZHIRVOEKW-JTQLQIEISA-N	296.342	1.350	10	20	CDCD	
CNC(=O)C[C@@H](C)N[C@H](C)c1cc(C(=O)O)ccc1O	1598640426	XULYLCCBJHQQKS-RKDXNWHRSA-N	280.324	1.266	10	20	CDCD	
O=C(O)[C@H]1CCCN(Cc2cc3c(cc2O)OC[C@@H]3O)C1	1595197006	KKYGMYDNUMYGFQ-ZANVPECISA-N	293.319	1.115	10	20	CDCD	
Cc1noc(CCCC(=O)Nc2ccc(N)cc2)n1	160433600	GOHSCCDMTFHGRD-UHFFFAOYSA-N	260.297	1.922	10	20	CDCD	
O=C(O)C1(CNCc2ccc3c(c2)CCCO3)CC1	258967994	SOXLEGAUOPYFCB-UHFFFAOYSA-N	261.321	1.966	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCC[C@@H]1c1ncon1	848113761	LUEWKFTUMYBRTE-SECBINFHSA-N	275.264	1.458	10	20	CDCD	
CCNC(=O)CCN[C@H](C)c1ccc(N(C)C)cc1	228324180	BWLVDKBTTFKNKG-GFCCVEGCSA-N	263.385	1.929	10	20	CDCD	
CC(C)N1CCN(C(=O)c2cccc(O)c2O)CC1	126265191	BZGXCPCSSULUNJ-UHFFFAOYSA-N	264.325	1.264	10	20	CDCD	
CN(C)C1(CNC(=O)c2cccc(O)c2O)CCCC1	126519755	RJZZLWWITRXWCZ-UHFFFAOYSA-N	278.352	1.702	10	20	CDCD	
CN(C(=O)[C@H]1CC(=O)N(C2CC2)C1)c1ccc(N)cc1	702053027	FNPKMLGKIQCNFB-JTQLQIEISA-N	273.336	1.243	10	20	CDCD	
CCOC[C@@H]1CN(C(=O)Cc2ccc(N)cc2)CCO1	705800482	UEVDBXHSXKISOG-AWEZNQCLSA-N	278.352	1.075	10	20	CDCD	
CCN1C[C@H](NCc2ccc3c(c2)CCO3)CC1=O	391528109	GCTFGCIRJAIHEW-CYBMUJFWSA-N	260.337	1.332	10	20	CDCD	
CCc1cc(C(=O)NCc2cccc(OC)c2O)[nH]n1	105651652	DSSSEODSQJVOJM-UHFFFAOYSA-N	275.308	1.616	10	20	CDCD	
C[C@@H](NCCn1cc([N+](=O)[O-])cn1)c1ccccc1O	179875868	DWSVAUYXRAHHSQ-SNVBAGLBSA-N	276.296	1.848	10	20	CDCD	
CCOc1cccc(CN[C@H](C)CN2CCOCC2)c1O	36933124	JZVFURCUXMTLIN-CYBMUJFWSA-N	294.395	1.601	10	20	CDCD	
C[C@H](NCCCOCCO)c1ccc(F)c(F)c1O	187910278	ZHFRSTJKDZKMRS-VIFPVBQESA-N	275.295	1.720	10	20	CDCD	
COc1ccc(CNCCCS(C)(=O)=O)cc1C	38047716	ZUBYUXVCHFHBDW-UHFFFAOYSA-N	271.382	1.528	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2C[C@@H]3[C@@H](CO)[C@@H]3C2)c1O	368336496	OIDLPWUERVHKHN-WDNDVIMCSA-N	279.311	1.404	10	20	CDCD	
Oc1ccc(F)cc1CN1CCO[C@@H]([C@H]2CCCO2)C1	245893220	CMVGZZHGYWMPBA-HUUCEWRRSA-N	281.327	1.911	10	20	CDCD	
Nc1ccc(CC(=O)NCCc2nnc3ccccn23)cc1	316637765	ODCQSQKUHALASD-UHFFFAOYSA-N	295.346	1.213	10	20	CDCD	
CC[C@H](NCCS(=O)(=O)NC)c1ccc(N(C)C)cc1	187178597	HPTKFPSSRUOCFD-AWEZNQCLSA-N	299.440	1.343	10	20	CDCD	
CCOc1cccc(CNC[C@]2(O)CCSC2)c1O	176760274	KEJYSNSJFKSOQU-CQSZACIVSA-N	283.393	1.749	10	20	CDCD	
COc1cc(O)c(CN(C)CC2CC(O)C2)cc1OC	191158525	XVHBJSGXRPSCGT-UHFFFAOYSA-N	281.352	1.612	10	20	CDCD	
CC[C@H]1C(=O)NCCN1Cc1ccc(N(C)C)cc1	93049507	QBJLVQQRSYJWRN-AWEZNQCLSA-N	261.369	1.463	10	20	CDCD	
C[C@@H](NC(=O)N(C)C)c1ccc(N2CCOCC2)cc1	140257658	JTRHYTDVNNZPHU-GFCCVEGCSA-N	277.368	1.855	10	20	CDCD	
C[C@H](NCC(C)(C)C(N)=O)c1cc([N+](=O)[O-])ccc1O	273497078	PIEJMJDJQGYVQI-QMMMGPOBSA-N	281.312	1.463	10	20	CDCD	
C[C@@H]1CN(Cc2ccc(N(C)C)cc2)CC[S@@](=O)C1	277459164	LFWLEMQSZTWYFR-BFUOFWGJSA-N	280.437	1.953	10	20	CDCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CO	270723032	AIYQOHHOZWMCMW-UHFFFAOYSA-N	262.353	1.628	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNC2CCC(O)CC2)c1O	278860419	LXFJKCPFBYMSPR-UHFFFAOYSA-N	296.323	1.702	10	20	CDCD	
Cc1cccc(CNCCC2(O)CCOCC2)c1O	289657805	YJKXCRRTPVTJGJ-UHFFFAOYSA-N	265.353	1.722	10	20	CDCD	
Cn1cnc(/C=C2/SC(N3CCCCC3)=NC2=O)c1	800792953	ITTOAXSSMOGSPA-YRNVUSSQSA-N	276.365	1.876	10	20	CDCD	
Cc1cc(CN2CCN(C[C@@H](C)O)CC2)ccc1N(C)C	294726476	VZOXWFSJOAEDGV-OAHLLOKOSA-N	291.439	1.559	10	20	CDCD	
Oc1cc2c(cc1CN1CCC[C@@H](O)CC1)OCO2	293889853	DSBFUHCGZFCPEG-LLVKDONJSA-N	265.309	1.468	10	20	CDCD	
CCCNS(=O)(=O)NCCCSc1nccs1	813667626	JRPHHQGWYFSRGN-UHFFFAOYSA-N	295.455	1.459	10	20	CDCD	
C[C@H](NCc1ccc(N2CCOCC2)cc1)[C@@H]1CCCN1	817895840	WVIWSHHLLDLPOF-YOEHRIQHSA-N	289.423	1.753	10	20	CDCD	
CC[C@@H](COC)N1C(=O)CN(Cc2ccccc2O)C1=O	819166176	OGNYQQJVKOLBAR-LBPRGKRZSA-N	292.335	1.581	10	20	CDCD	
O=C(CO)NCc1cc(Cl)cc(Cl)c1O	813685573	LHLSIGFJDUHTPO-UHFFFAOYSA-N	250.081	1.308	10	20	CDCD	
Cc1ccc(O)c([C@@H](C)NC[C@H]2CNCCO2)c1	817983259	LGISCAKTCMCQPL-VXGBXAGGSA-N	250.342	1.340	10	20	CDCD	
COc1ccc(O)c(CN2C[C@H](CO)OC(C)(C)C2)c1	817413285	VQFAJRHUKWGVMO-CYBMUJFWSA-N	281.352	1.373	10	20	CDCD	
COc1cccc(CN2CCC[C@H]2C(=O)N(C)C)c1O	122712930	KJJXGYCBZUXVBC-LBPRGKRZSA-N	278.352	1.453	10	20	CDCD	
COc1cccc(CN[C@H]2C[C@H](C(=O)OC)C2)c1O	827812359	KKZDZPTVVVIMJN-XYPYZODXSA-N	265.309	1.442	10	20	CDCD	
C[C@@H](O)C1(NCc2ccc(N(C)C)c(F)c2)CC1	827585380	HJCRZAHNVYZZIV-SNVBAGLBSA-N	252.333	1.895	10	20	CDCD	
OCCOCCN(Cc1cc(F)ccc1O)C1CCC1	827204599	ZDNZTKFHHPKXKC-UHFFFAOYSA-N	283.343	1.895	10	20	CDCD	
Cc1ccc(O)c(CN2CCC[C@@H](NC(=O)N(C)C)C2)c1	825278902	KTIZJJSADZDOMF-CQSZACIVSA-N	291.395	1.936	10	20	CDCD	
COc1cccc([C@H](O)CNC(=O)c2cc(O)cs2)c1	732297631	QQNGGBIPJDUBIK-GFCCVEGCSA-N	293.344	1.926	10	20	CDCD	
C[C@H](NC[C@@H]1CCN1C)c1cc([N+](=O)[O-])ccc1O	903318616	RMUFPGLFDSMEAF-ONGXEEELSA-N	265.313	1.655	10	20	CDCD	
COc1ccc(CNC(=O)C[C@@H](N)C2CC2)c(O)c1	832178413	QZJZLXKRYFLBDL-GFCCVEGCSA-N	264.325	1.144	10	20	CDCD	
COC(=O)COc1ccc(N(C)CCC2(O)CCC2)cc1	839551441	SVIUTBKYDKXMAV-UHFFFAOYSA-N	293.363	1.980	10	20	CDCD	
CC[C@H](CNCc1cccc(OC)c1O)C(=O)O	903704895	NWGNSOOESBZJAM-SECBINFHSA-N	253.298	1.601	10	20	CDCD	
C[C@H]1CCCN1CCNC(=O)Cc1ccc(N)cc1	831971067	QLHKNKRSWXTALI-LBPRGKRZSA-N	261.369	1.412	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC[C@@]2(C)CCC(=O)N2)c1	834908681	LDNUWDMWHKRYBQ-ZUZCIYMTSA-N	278.352	1.720	10	20	CDCD	
CC[C@H](C(=O)NCc1ccc(N(C)C)c(F)c1)[C@H](C)O	842229764	NJEVLCLJWNYVKE-JQWIXIFHSA-N	282.359	1.915	10	20	CDCD	
O[C@@H](COc1ccc(N2CCCC2)cc1)Cn1cccn1	840759928	MTFRZLMWHBAHMT-OAHLLOKOSA-N	287.363	1.923	10	20	CDCD	
CCOCc1cc(CN[C@H]2[C@@H]3CNC[C@@H]32)ccc1OC	841077160	BRMVYPOFTVSUQM-FOLVSLTJSA-N	276.380	1.539	10	20	CDCD	
CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)Nc1ccc(N)cc1	841301762	YJUXKWUEOVUTQO-NXEZZACHSA-N	278.356	1.694	10	20	CDCD	
CCOc1ccc(O)c(CN[C@H](CCN)C(F)F)c1	841073949	KJIFGAGSOCRXHX-LLVKDONJSA-N	274.311	1.863	10	20	CDCD	
COC(=O)[C@H](C)NCc1ccc(N(C)C)cc1C	840942257	WZHBOCOYANJRBP-NSHDSACASA-N	250.342	1.712	10	20	CDCD	
CNC(=N)NCc1cc(F)c(N2CCOCC2)c(F)c1	849039890	XDOMBPHZIZQHIJ-UHFFFAOYSA-N	284.310	1.045	10	20	CDCD	
CCc1cccc(CNC[C@@]2(C)CCC(=O)N2)c1O	848914754	NHGMXRSCQZLFSS-OAHLLOKOSA-N	262.353	1.713	10	20	CDCD	
CN(C)c1ccc(/C=C/CN2CC(C(=O)O)C2)cc1	840998713	OYXVNKHPMGWELV-ONEGZZNKSA-N	260.337	1.782	10	20	CDCD	
CCn1ccc(CNC(=O)N(C)Cc2ccccc2O)n1	840401354	NNCCIACQEOKKKM-UHFFFAOYSA-N	288.351	1.950	10	20	CDCD	
CCCN1CC[C@@H](NC(=O)c2cc(O)cs2)C1	856073373	OIBNBQIDUKOTRI-SECBINFHSA-N	254.355	1.668	10	20	CDCD	
C[C@@H](N[C@H](CO)C1CCOCC1)c1ccc(F)cc1O	757656558	BKUJBOSCIYABTK-QMTHXVAHSA-N	283.343	1.969	10	20	CDCD	
CCCN[C@H]1C[C@@H](NC(=O)c2cc(OC)nc(OC)c2)C1	1022367607	GGOKLDDHRLBCEA-TXEJJXNPSA-N	293.367	1.359	10	20	CDCD	
COc1ccc(O)c(CNC(=O)/C=C\SC)c1	751537813	IZXPIYNRVCTBBK-WAYWQWQTSA-N	253.323	1.894	10	20	CDCD	
CO[C@@H]1CCOC[C@H]1NCc1ccc(N(C)C)c(C)c1	934036035	YBTNZNWFTAOQBR-GDBMZVCRSA-N	278.396	1.955	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1N[C@H]2CC[C@H]1C2	862912418	OOOKZLASGQKDMY-OPHXLECPSA-N	260.293	1.379	10	20	CDCD	
CC[C@@](C)(CNCc1cc([N+](=O)[O-])ccc1O)C(=O)O	1116812429	GHZWFXSGJNQRSB-ZDUSSCGKSA-N	282.296	1.891	10	20	CDCD	
CCC(=O)N1CCC[C@@H](C(=O)N(C)c2ccc(N)cc2)C1	877080507	KBDNJOWOOCDBJQ-GFCCVEGCSA-N	289.379	1.880	10	20	CDCD	
CCC[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)OC	779544709	MYPFKPXNSGYINR-IOCXFXADSA-N	293.319	1.569	10	20	CDCD	
Cc1ccc(CN2CCN(C(C)(C)C(N)=O)CC2)c(O)c1	876772055	GDHKXEIYCUMTDY-UHFFFAOYSA-N	291.395	1.082	10	20	CDCD	
CON(C)CCNCc1ccc(N(C)C)c(F)c1	883172307	CXBGRMXYDPZNKP-UHFFFAOYSA-N	255.337	1.475	10	20	CDCD	
O=S(=O)(CCNCc1cc(F)cc(F)c1O)C1CC1	883146149	CEUNWXVFIOOWTK-UHFFFAOYSA-N	291.319	1.337	10	20	CDCD	
Cn1nccc1[C@@H]1CN(Cc2ccccc2O)CCO1	897559733	ZCEBZDVGLPDMLW-HNNXBMFYSA-N	273.336	1.699	10	20	CDCD	
COc1cc(C)cc(CN[C@H]2COC[C@H]2C)c1O	896732880	LKZUGQBDHZFVCI-PWSUYJOCSA-N	251.326	1.834	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)NC[C@@H]1CCC=CO1	781487894	OYMJFGLMGUEARS-HWPRWLFBSA-N	275.304	1.920	10	20	CDCD	
COc1ccc(CN[C@@H]2CO[C@@H](C)C2)c(O)c1OC	895124280	NQTYGQKVKUOWKI-ONGXEEELSA-N	267.325	1.676	10	20	CDCD	
Cc1ccc(O)c(CN(C)CCN2CCNCC2)c1	71409548	OPRLDXFBTYHMTN-UHFFFAOYSA-N	263.385	1.038	10	20	CDCD	
C[C@H](CO)NCc1ccc(Br)cc1O	691395618	OHGIYGVLZIEORO-SSDOTTSWSA-N	260.131	1.625	10	20	CDCD	
CCOC(=O)[C@H]1CNCCN1Cc1cccc(Cl)c1O	1329428914	VHYRIQMIQYOBCR-GFCCVEGCSA-N	298.770	1.383	10	20	CDCD	
COc1cccc(CN2CCC[C@@H]([C@H](C)N)C2)c1O	70171771	VMFKQIMCTABALT-NWDGAFQWSA-N	264.369	1.960	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N2C[C@@H]3CC[C@H](C2)N3)cc1	1333570100	UZDZJPCFEIXLSJ-OKILXGFUSA-N	288.395	1.398	10	20	CDCD	
COc1cccc(O)c1CNCC1(N(C)C)CCC1	782535099	BCXZUXDHIMBEAF-UHFFFAOYSA-N	264.369	1.975	10	20	CDCD	
COc1ccc(O)c(CN(C)CC2CCNCC2)c1	94010987	VDRSBZBUYJJDOE-UHFFFAOYSA-N	264.369	1.832	10	20	CDCD	
CS[C@@H]1CN(C(=O)c2cccc(O)c2O)C[C@H]1N(C)C	790903808	BGNLPCJZKAPMEX-ZYHUDNBSSA-N	296.392	1.215	10	20	CDCD	
CN(C)c1ccc(CN[C@H](Cc2cnc[nH]2)C(=O)O)cc1	1333185447	JSSRCFWPRNNUAU-CQSZACIVSA-N	288.351	1.261	10	20	CDCD	
COc1cc(C)cc(CNC[C@]2(C(=O)O)CCOC2)c1O	1607149269	FAOVTTBLHKZKPJ-OAHLLOKOSA-N	295.335	1.290	10	20	CDCD	
O=C(O)C[C@H]1COCCN1Cc1cccc(F)c1O	1601963432	LZKAQZSAGAOVCY-JTQLQIEISA-N	269.272	1.207	10	20	CDCD	
C[C@@H](O)CN(CC(=O)O)Cc1cc(Cl)ccc1O	1593458707	DPNXWPNGBMYNPK-MRVPVSSYSA-N	273.716	1.313	10	20	CDCD	
CC[C@@H](N[C@@H]1CCN(c2ccc(OC)cc2)C1)C(=O)O	1595284149	PZYWTEABPCSITE-BXUZGUMPSA-N	278.352	1.727	10	20	CDCD	
COc1cc(O)c(CN[C@H](C)CC(=O)O)cc1OC	1594066503	OEANGUWOBNZXRY-MRVPVSSYSA-N	269.297	1.362	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2[C@H](C(=O)O)C1CC1	1593714827	QNVLSHPAPIEWQV-AWEZNQCLSA-N	276.336	1.815	10	20	CDCD	
c1cc(N2CCOCC2)ccc1CNC[C@H]1CCCO1	20092418	QBQMMJMEPQYOHU-MRXNPFEDSA-N	276.380	1.792	10	20	CDCD	
CCN(CC)c1ccc(CNC[C@@H](O)CC(=O)O)cc1	1776860932	GSAPAMWHJISALZ-AWEZNQCLSA-N	280.368	1.458	10	20	CDCD	
Cc1cc(C(=O)Nc2nncn2C)c(C)n1-c1ccccn1	163072880	BLQPXBAZBZJEBP-UHFFFAOYSA-N	296.334	1.870	10	20	CDCD	
CCN(CC)c1ccc(CN2CC[C@@H](C(N)=O)C2)cc1F	157123691	DNWXSYXUHFZGIB-CYBMUJFWSA-N	293.386	1.979	10	20	CDCD	
CN1CCN(C(=O)c2cccc(O)c2O)CC1(C)C	126414324	DQFUXGPHXNVRQM-UHFFFAOYSA-N	264.325	1.264	10	20	CDCD	
CN(C)c1ccc(CN[C@H]2CCCCNC2=O)cc1	35225048	PKLYSWDDNWEOBR-AWEZNQCLSA-N	261.369	1.511	10	20	CDCD	
COCCN(C)CCN[C@@H](C)c1ccc(C)cc1O	61375877	SREQXLWGCSNNMX-ZDUSSCGKSA-N	266.385	1.929	10	20	CDCD	
CCc1cccc(CN[C@](C)(CO)COC)c1O	716854206	SNTMLYPFTXHHFY-CQSZACIVSA-N	253.342	1.442	10	20	CDCD	
C[C@H](NC[C@@H](C)S(C)(=O)=O)c1ccccc1O	697619652	FJFMZESZXUCJSY-ZJUUUORDSA-N	257.355	1.476	10	20	CDCD	
COC(=O)[C@H]1CC[C@@H]1C(=O)NCc1ccccc1O	286812912	RYRAMOVLGDAHSQ-QWRGUYRKSA-N	263.293	1.208	10	20	CDCD	
COc1ccc(O)c(CN2CCO[C@@H](CF)C2)c1	840954521	KHKWDPJCJXSFID-LBPRGKRZSA-N	255.289	1.571	10	20	CDCD	
Oc1ccccc1CN1CCC[C@@H]1CN1CCOCC1	179562238	LPQUINVTVHRJFE-OAHLLOKOSA-N	276.380	1.689	10	20	CDCD	
Cc1ccc(C(=O)NCCCOCC2CC2)c(O)c1O	177664439	UTTMXVUKBKDURI-UHFFFAOYSA-N	279.336	1.953	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2C(N)=O)c(O)c1O	179536910	KGLZLTOPKFAVIS-GXSJLCMTSA-N	292.335	1.180	10	20	CDCD	
Cn1cc(N2CC[C@H](Sc3nccs3)C2=O)cn1	110143434	UJUCIKQKVOHHAH-VIFPVBQESA-N	280.378	1.774	10	20	CDCD	
COC(=O)[C@H]1[C@H](O)CCCN1Cc1cc(C)ccc1O	188789046	GICGTMUPZKBUHE-ZIAGYGMSSA-N	279.336	1.199	10	20	CDCD	
Cc1ccc(C(=O)NCC2(CO)CCC2)c(O)c1O	182313076	QBKKZOJKKPDNHU-UHFFFAOYSA-N	265.309	1.299	10	20	CDCD	
COc1cccc(CN2C[C@@H](C)NC[C@@H]2C)c1O	86466841	ULOJABSOXFOLES-MNOVXSKESA-N	250.342	1.583	10	20	CDCD	
CCOc1ccc(O)c(CNc2cnn(CCO)c2)c1	236853527	XNSQKAOTLAQDNH-UHFFFAOYSA-N	277.324	1.592	10	20	CDCD	
COc1ccc(N2CCN(Cc3cnc[nH]3)CC2)cc1F	91923311	DGGXSKZDSAPDAB-UHFFFAOYSA-N	290.342	1.880	10	20	CDCD	
CCOc1cccc([C@@H]2NC(=O)[C@H]3CSCCN32)c1O	270768476	HCUCNDCXFZUKGP-ZWNOBZJWSA-N	294.376	1.337	10	20	CDCD	
Cc1nccnc1N1CCN(Cc2ccccc2O)CC1	374209352	HSOVRBXYXOHXGB-UHFFFAOYSA-N	284.363	1.813	10	20	CDCD	
Cc1ccc(C(=O)N2CCC[C@H](N(C)C)CC2)c(O)c1O	277121569	FPDJAEMQBCNAGD-LBPRGKRZSA-N	292.379	1.963	10	20	CDCD	
COCC[C@@H]1COCCN1Cc1cc(OC)ccc1O	291344574	WIWWKIPWPAAETC-CYBMUJFWSA-N	281.352	1.638	10	20	CDCD	
CCOc1ccc(N(CC)CCN2CCNC2=O)cc1	290102375	XUBJYIVGERUSMW-UHFFFAOYSA-N	277.368	1.937	10	20	CDCD	
O=S(=O)(CCC1CCOCC1)NCc1ccccc1O	292342950	DDTCGOYFVOMLHD-UHFFFAOYSA-N	299.392	1.628	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)CSc1nncs1	298806762	SKZALVMGSMVECG-UHFFFAOYSA-N	295.389	1.994	10	20	CDCD	
CCN1CCN(Cc2ccc(N(C)C)c(C)c2)CC1=O	294683289	STTLMXMDOPLAFI-UHFFFAOYSA-N	275.396	1.725	10	20	CDCD	
CC(=O)C(=O)CSc1nnc(CO)n1-c1ccccc1	808034114	CTJAVRHEWFKBMJ-UHFFFAOYSA-N	291.332	1.010	10	20	CDCD	
COc1cccc(CNC(=O)c2cc(F)c[nH]2)c1O	815834639	RYBFTLJJWFVFRE-UHFFFAOYSA-N	264.256	1.798	10	20	CDCD	
CCCN(CC(N)=O)Cc1cc(OCC)ccc1O	814177827	QEAPUTMYFBGYSQ-UHFFFAOYSA-N	266.341	1.488	10	20	CDCD	
CCOc1ccc(O)c(CN2CCCN(C=O)CC2)c1	827877263	KROLZIUANZXXGN-UHFFFAOYSA-N	278.352	1.455	10	20	CDCD	
COC(=O)C1(C)CN(Cc2c(O)cccc2OC)C1	822534245	AUDFWUZMNIBLQJ-UHFFFAOYSA-N	265.309	1.396	10	20	CDCD	
CC[C@H](CCO)NC(=O)/C=C\c1ccc(O)c(O)c1	588408345	OUOKBGFIJTVTSS-VLWUPBBWSA-N	265.309	1.388	10	20	CDCD	
Cc1nnc(O)c(C(=O)N[C@H](C)c2ccccc2O)c1C	827923356	PNPMWEJXYIQGKB-SNVBAGLBSA-N	287.319	1.996	10	20	CDCD	
CN(C)[C@H]1CCCN(C(=O)c2cc(O)cs2)C1	732284126	JHSRMFHQHJBQBS-VIFPVBQESA-N	254.355	1.620	10	20	CDCD	
COC1(C)CN(Cc2ccc(N3CCN(C)CC3)cc2)C1	839101278	LPLVTRZFNFTAPL-UHFFFAOYSA-N	289.423	1.659	10	20	CDCD	
C[C@@H](CCO)SCC(=O)NCc1ccc(N(C)C)cc1	741732703	OMJPXWLVQLUHHO-LBPRGKRZSA-N	296.436	1.873	10	20	CDCD	
CNC(=O)C(C)(C)CN[C@@H](C)c1cccc(OC)c1O	846158879	LUUXLLFKIOFMEH-JTQLQIEISA-N	280.368	1.824	10	20	CDCD	
COc1ccc(O)c(CN2CCNC[C@H]2c2ccncc2)c1	843120759	UDONERNWTGCATF-INIZCTEOSA-N	299.374	1.942	10	20	CDCD	
CCCN(C)CC(=O)N(CC(=O)O)Cc1ccccc1O	911484061	LYGMRTSNPMNORO-UHFFFAOYSA-N	294.351	1.147	10	20	CDCD	
C[C@@H](CNC(=O)NCCc1ccc(N)cc1)N(C)C1CC1	841791477	XXUCGIKCXDLWTO-LBPRGKRZSA-N	290.411	1.593	10	20	CDCD	
Nc1ccc(CCNC(=O)NCCc2cscn2)cc1	841860121	BPMJVNRVBIKZBS-UHFFFAOYSA-N	290.392	1.810	10	20	CDCD	
CC[C@H](N)CNCc1cc(Cl)cc(OC)c1O	841072264	MXYAVCYNQNRSQT-JTQLQIEISA-N	258.749	1.881	10	20	CDCD	
CCc1nnc(C(=O)NCc2ccc(O)cc2O)s1	910945423	VVFCQDKDGYPUPV-UHFFFAOYSA-N	279.321	1.442	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NC[C@H](N)C2CC2)cc1F	841762276	VPUJRZDXMYAZMS-ZDUSSCGKSA-N	294.374	1.428	10	20	CDCD	
Oc1ccc(Cl)c(F)c1CNC[C@@H]1C[C@H](F)CN1	841079737	QWEUTNVTUBKNBW-YUMQZZPRSA-N	276.714	1.974	10	20	CDCD	
N[C@H]1CCCN(Cc2cc3c(cc2O)OCO3)C1	843044071	RYSAYUWSEUSZHO-JTQLQIEISA-N	250.298	1.044	10	20	CDCD	
CCOC(=O)/C(=C\c1cncc(OC)c1)c1nccn1C	849245768	MPIHYCCCTXMURV-JYRVWZFOSA-N	287.319	1.927	10	20	CDCD	
C[C@H](NC(=O)N1CC[C@H](CN)C1)c1ccc(N(C)C)cc1	841882309	INLBQLGLUMQJJR-QWHCGFSZSA-N	290.411	1.804	10	20	CDCD	
C[C@@H](NCc1ccc2c(c1)CCCO2)[C@@H]1CN(C)CCO1	921864081	RTDGQZXSHCHQBU-DYVFJYSZSA-N	290.407	1.820	10	20	CDCD	
CC[C@H](C)CCNC(=O)C(=O)Nc1ccc(N)cc1	850835615	WLCVMKSTYGEAGH-JTQLQIEISA-N	263.341	1.760	10	20	CDCD	
C[C@@H](NC(=O)NCC1([S@](C)=O)CC1)c1ccccc1O	868580140	KMWZCEFRYXGVGN-SBKAZYGRSA-N	296.392	1.664	10	20	CDCD	
C[C@@H](NC(=O)[C@@H]1CCCNC1=O)c1ccc(N(C)C)cc1	867502947	FZADQOSBXNODRK-BXUZGUMPSA-N	289.379	1.456	10	20	CDCD	
CCOc1ccc(O)c(CN(C)[C@@]2(CO)CCOC2)c1	862427138	UJFPKPFYVYLXQT-OAHLLOKOSA-N	281.352	1.374	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@@H]2C[C@H]3CC[C@H]2O3)c1	862760317	QBIZVWAVLZDAGA-YRGRVCCFSA-N	261.321	1.884	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)Cc1nc[nH]n1	866601661	QJMUHIOHRUTVOR-UHFFFAOYSA-N	274.324	1.492	10	20	CDCD	
CCOc1ccc(CN(C)CC[C@@H](C)O)c(O)c1	769450428	CTTHXKVFXZGOSG-LLVKDONJSA-N	253.342	1.994	10	20	CDCD	
CNC(=O)[C@H]1CCC[C@H]1NCc1ccc2c(c1)CCO2	765797078	PJFNSSOZOYUJNX-UONOGXRCSA-N	274.364	1.626	10	20	CDCD	
CO[C@@H](C)CNC(=O)N[C@H](C)c1ccccc1O	868767969	QONQDWFUGSFNBK-VHSXEESVSA-N	252.314	1.787	10	20	CDCD	
Cn1nc(C(=O)NCc2ccccc2O)cc1OC(F)F	768287770	RVMYCWXZQSLMPK-UHFFFAOYSA-N	297.261	1.657	10	20	CDCD	
Cc1ccc(CNCCC2(O)CCOCC2)c(O)c1	877515849	RBIDVZMPUCRQQX-UHFFFAOYSA-N	265.353	1.722	10	20	CDCD	
C[C@@H]1CC[C@H](NC(=O)C(=O)N(C)Cc2ccccc2O)C1	1119547460	NOZHFBCMGLPKHZ-YPMHNXCESA-N	290.363	1.655	10	20	CDCD	
Cc1nc(NC(=O)N[C@H](C)c2ccccc2O)nn1C	879647290	VMNJHOOQICJMQO-MRVPVSSYSA-N	275.312	1.712	10	20	CDCD	
C[C@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)N(C)C	772775663	NWMVZCSKWJAPSX-IWGCBNPKSA-N	279.292	1.131	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNCC(C)(C)OC)c1O	775031045	YKKDBHQNFMURKZ-UHFFFAOYSA-N	284.312	1.824	10	20	CDCD	
Cc1cccc(O)c1CNCc1nnn(C(C)(C)C)n1	877618352	QIJCSKUCQOBQEG-UHFFFAOYSA-N	275.356	1.732	10	20	CDCD	
O=C(O)C[C@@H](CNCc1ccc2c(c1)CCCO2)C(=O)O	1120002350	SSAUGYZAAYEDTO-LBPRGKRZSA-N	293.319	1.277	10	20	CDCD	
C[C@@H](CN1CCOCC1)N[C@H](C)c1c(O)cccc1F	886503983	MPSBDJJPBIUFBT-NWDGAFQWSA-N	282.359	1.903	10	20	CDCD	
C[C@@H](NC[C@H](O)CN1CCCC1)c1c(O)cccc1F	886511448	UHJDJKYGBABKAU-NEPJUHHUSA-N	282.359	1.639	10	20	CDCD	
C[C@@H]1CN(C)C(=O)CN1Cc1ccc(N(C)C)cc1	783733170	KAQLHKIVRZVLOS-GFCCVEGCSA-N	261.369	1.415	10	20	CDCD	
O=C(NC1CCC(CO)CC1)c1cc(O)cs1	783646894	APTCWZRPECTDQY-UHFFFAOYSA-N	255.339	1.735	10	20	CDCD	
C[C@@H](NC(=O)NC[C@H]1C[C@@H](N)C1)c1ccc(N(C)C)cc1	891814441	SKWYKZZUVGGDJS-BZPMIXESSA-N	290.411	1.850	10	20	CDCD	
COC[C@@H](CCO)NCc1cc(C)cc(OC)c1O	894281467	VIMKWUKOABGVLT-GFCCVEGCSA-N	269.341	1.196	10	20	CDCD	
Cc1ccc(C(=O)N2C[C@H]3CCN(C)C[C@H]3C2)c(O)c1O	793956882	QCBDUXRAWQZKJQ-NEPJUHHUSA-N	290.363	1.430	10	20	CDCD	
COc1ccc(CNC(=O)[C@@H]2C[C@H]3CC[C@H]2O3)c(O)c1	794376150	BCWFJWFLDGSUCU-YRGRVCCFSA-N	277.320	1.585	10	20	CDCD	
CN1C[C@@H](COC(=O)/C=C/c2ccc(O)c(O)c2)OC1=O	1324492686	YPSZGNXHNKQWDZ-GFAPAMAISA-N	293.275	1.105	10	20	CDCD	
CC[C@]1(NC(=O)NCc2ccc(N)cc2)CCOC1	1338793094	LCQCKFMAPUMCRG-AWEZNQCLSA-N	263.341	1.637	10	20	CDCD	
CN(Cc1ccccc1O)C[C@H]1CC2(CC2)C(=O)O1	763727294	ILVZISYLODZTTQ-GFCCVEGCSA-N	261.321	1.920	10	20	CDCD	
C[C@@H](NC(=O)NCCc1cn[nH]c1)c1ccccc1O	1335719411	XUCCIRBVFMRVBD-SNVBAGLBSA-N	274.324	1.718	10	20	CDCD	
CO[C@H]1CCC[C@H]1C(=O)NCc1ccc(O)cc1O	1262628766	GDHDQAOFPCURGS-YPMHNXCESA-N	265.309	1.529	10	20	CDCD	
CCOCCN(C)c1nnc(-c2sccc2O)n1C	1350471079	WHKCCRFCHCHKQU-UHFFFAOYSA-N	282.369	1.722	10	20	CDCD	
COCCN(CCC(=O)O)Cc1cccc(OC)c1O	1356083490	POSRAQDXBGHLGF-UHFFFAOYSA-N	283.324	1.324	10	20	CDCD	
Nc1ccc(CNC(=O)C2(C(=O)NC3CC3)CCC2)cc1	1524007996	AVYMJKIYLXAZDI-UHFFFAOYSA-N	287.363	1.334	10	20	CDCD	
C[C@H](N[C@@H](C)[C@@H](C)N)c1cc(C(=O)O)ccc1O	1609777914	XPDKCPAGBLMWQK-VGMNWLOBSA-N	252.314	1.477	10	20	CDCD	
COc1ccc(N2CC[C@@H](CNC(=O)CC(=O)O)C2)cc1	1607269714	YHNCRQFVMGSPAV-NSHDSACASA-N	292.335	1.112	10	20	CDCD	
O=C(Cc1ccc(O)c(O)c1)NCc1ccc(C(=O)O)o1	1601362511	YUWKJPCFRVWTPE-UHFFFAOYSA-N	291.259	1.248	10	20	CDCD	
CC(C)OC(=O)CN(C)c1ccc(OCC(=O)O)cc1	1603907363	FHJULTWZNIGUIW-UHFFFAOYSA-N	281.308	1.538	10	20	CDCD	
C[C@@H](NC(=O)NC[C@]1(C)CNCCO1)c1ccccc1O	1579411627	YXWPRVZUXBWNDP-ABAIWWIYSA-N	293.367	1.131	10	20	CDCD	
Nc1ccc(NC(=O)c2cc3ncccn3n2)cc1	1580449701	SELXAWNWDZPXRV-UHFFFAOYSA-N	253.265	1.564	10	20	CDCD	
CN(CCC(=O)O)c1ccc(/C=C/C(=O)O)cc1[N+](=O)[O-]	1598470262	VQEGQEXWBNVQBA-HWKANZROSA-N	294.263	1.604	10	20	CDCD	
COc1ccc(CNc2ncncc2C(=O)O)c(O)c1	1599575084	STGINWFIIYKIMG-UHFFFAOYSA-N	275.264	1.501	10	20	CDCD	
CN(C)c1ccc(CN[C@H](Cc2cocn2)C(=O)O)cc1	1777039753	JCRUVLPAIBSGDS-CQSZACIVSA-N	289.335	1.526	10	20	CDCD	
CC(C)CCS(=O)(=O)NCc1ccccc1O	158582289	PUPKWZIVIUNFRB-UHFFFAOYSA-N	257.355	1.858	10	20	CDCD	
NCc1ccc2c(c1)CCCN2C[C@H]1CCS(=O)(=O)C1	843350073	ISTHRYZZTDSART-CYBMUJFWSA-N	294.420	1.333	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NCC[C@@H]2CCNC2=O)c1	846843773	HBPXTILCGFCXLC-GHMZBOCLSA-N	278.352	1.578	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC[C@@H]2COCCO2)c1	38060296	REUJDEVGAMGEQX-CMPLNLGQSA-N	267.325	1.467	10	20	CDCD	
CN(Cc1cc2c(cc1O)OCO2)[C@H]1CCCOC1	401614317	MEKGVKUVNPLFOT-NSHDSACASA-N	265.309	1.732	10	20	CDCD	
CCC1(O)CCN(C(=O)Cc2ccc(N)cc2)CC1	707445910	TZMCADSYXWHQQV-UHFFFAOYSA-N	262.353	1.575	10	20	CDCD	
C[C@H](N[C@H]1CCc2cccc(O)c21)C(=O)N1CCCC1	381235462	YTCHNGVHVSFVAS-AAEUAGOBSA-N	274.364	1.980	10	20	CDCD	
CS(=O)(=O)C1CCN(Cc2cc(F)ccc2O)CC1	388856541	ZTJIBTZSIWRCMH-UHFFFAOYSA-N	287.356	1.540	10	20	CDCD	
CC(=O)c1cc(Cl)cc(CN(C)[C@@H]2CCNC2=O)c1O	759424588	RFTXLIQNALGLAD-GFCCVEGCSA-N	296.754	1.569	10	20	CDCD	
C[C@@H](C(=O)NC(=O)NC1CC1)N(C)Cc1ccccc1O	109773070	HUEKRBXAMFCSLX-JTQLQIEISA-N	291.351	1.201	10	20	CDCD	
CCS(=O)(=O)NCc1ccc2c(c1)CCCN2C	58511048	WLRWQVDVLMMKGR-UHFFFAOYSA-N	268.382	1.508	10	20	CDCD	
COCCN[C@H](C)c1ccc(N2CCOCC2)c(F)c1	20551043	ZHIREPSNSCRSLT-GFCCVEGCSA-N	282.359	1.959	10	20	CDCD	
Oc1ccc(F)cc1CN1CCC[C@H]2CNC[C@H]21	300435137	OTACKHYLHRYECI-GXFFZTMASA-N	250.317	1.715	10	20	CDCD	
CCCCOCCNC(=O)c1cccc(O)c1O	126363354	QGIYIONWFODLBM-UHFFFAOYSA-N	253.298	1.644	10	20	CDCD	
CC[C@H]1CN(C(=O)c2cccc(O)c2O)CCO1	126260656	LVZBTXILYDPCIW-VIFPVBQESA-N	251.282	1.349	10	20	CDCD	
CCCOc1ccc(CN[C@]2(CO)CCOC2)c(O)c1	184197356	UWTNYOQJXHZBMB-HNNXBMFYSA-N	281.352	1.422	10	20	CDCD	
CNC(=O)[C@H](C)NCc1cc(Cl)cc(Cl)c1O	42560625	WEZUJKBZXFJNJS-LURJTMIESA-N	277.151	1.923	10	20	CDCD	
Cc1cccc(CN2CCOC[C@]23CCOC3)c1O	195013568	BYWVVWRTHJHGNE-OAHLLOKOSA-N	263.337	1.692	10	20	CDCD	
CC(C)(O)C1CN(Cc2cc3c(cc2O)OCO3)C1	297428657	OFFWQWXJFWSZGS-UHFFFAOYSA-N	265.309	1.324	10	20	CDCD	
OC[C@H]1CN(Cc2cc(F)ccc2O)CCC1(F)F	291028447	BCABOPHLYYMZBR-SNVBAGLBSA-N	275.270	1.981	10	20	CDCD	
Cc1ncc2n1CC[C@@H](C(=O)NCc1ccccc1O)C2	290601803	PEDFRSWQYRDSGR-GFCCVEGCSA-N	285.347	1.776	10	20	CDCD	
CO[C@H](CNC(=O)N(C)Cc1ccccc1O)C1CC1	297301040	HQKYTQZKKPMGAP-CQSZACIVSA-N	278.352	1.959	10	20	CDCD	
OC[C@@H]1CC[C@H](CNCc2cccc(F)c2O)O1	293772748	BHMBVVIYOXOWGW-MNOVXSKESA-N	255.289	1.161	10	20	CDCD	
C[C@@H]1[C@H](O)CCN1Cc1ccc(N(C)C)c(F)c1	825104155	PRJFGGJFERGCBD-QMTHXVAHSA-N	252.333	1.847	10	20	CDCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)CCO	902947548	LTAXGVQDRYHZSU-GFCCVEGCSA-N	264.369	1.491	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](OC)C(=O)O	901604800	BLSSLGXGXGSNGF-CYBMUJFWSA-N	294.351	1.201	10	20	CDCD	
CN(C)c1ccc(CN[C@H]2C[C@H]3CCCCN3C2=O)cc1	835075355	WYOZNEARKHWDAX-CVEARBPZSA-N	287.407	1.996	10	20	CDCD	
C[C@@H](NC(=O)c1cc(O)n(C)n1)c1ccc(N(C)C)cc1	832430632	GQPIZGUTQQZXCF-SNVBAGLBSA-N	288.351	1.683	10	20	CDCD	
CC[C@@H]1OCC[C@H]1NC(=O)NCc1ccc(OC)cc1O	838775151	TZOPCHIMDNPXCV-OCCSQVGLSA-N	294.351	1.768	10	20	CDCD	
COC(=O)C1(CNC(=O)Cc2ccc(N)cc2)CCCC1	830954353	GWPGTBOICCTLEB-UHFFFAOYSA-N	290.363	1.661	10	20	CDCD	
Nc1ccc(CCNC(=O)C(=O)NC2CCCCC2)cc1	842215748	YRBFSNPTKJGVML-UHFFFAOYSA-N	289.379	1.376	10	20	CDCD	
O=C(NCc1cc(Cl)ccc1O)C(=O)NCC(F)F	846474211	SBBQJTROMFCYEM-UHFFFAOYSA-N	292.669	1.043	10	20	CDCD	
CN(C)CCOC1CCN(C(=O)c2cc(O)cs2)CC1	743410244	UFPJRODDRQDDFF-UHFFFAOYSA-N	298.408	1.637	10	20	CDCD	
COc1cccc([C@@H](C)N[C@@H]2CC(=O)N(C)C2)c1O	846147757	VTVKUICZBRQFBF-NXEZZACHSA-N	264.325	1.282	10	20	CDCD	
C[C@@H](CCCN)NCc1ccc(N2CCOCC2)cc1	841079001	HFFNNJOFCXRCIO-AWEZNQCLSA-N	277.412	1.740	10	20	CDCD	
CNCCN(C)Cc1cc(Cl)cc([N+](=O)[O-])c1O	843057929	ZHJOWEMUJAEBKR-UHFFFAOYSA-N	273.720	1.605	10	20	CDCD	
CCCN(CC)CCNC(=O)c1cc(O)cs1	746702738	YPRKKSGANIMEHD-UHFFFAOYSA-N	256.371	1.915	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC[C@H]1COCCO1	840929153	HWIBKFFIZZNTFQ-HNNXBMFYSA-N	264.369	1.566	10	20	CDCD	
C[C@@H]1OCCN(C(=O)NCCc2ccc(N)cc2)[C@@H]1C	841960367	OHLAJUOEFKTUQP-NEPJUHHUSA-N	277.368	1.630	10	20	CDCD	
COc1ccc(CNC(=O)N[C@H](C)CCCCN)c(O)c1	841994089	HXFRQFAOVBFPNO-LLVKDONJSA-N	295.383	1.718	10	20	CDCD	
COc1ccc(O)c(CNC(=O)Cc2cc(C)no2)c1	845834883	WPYNLKKVHVQSBC-UHFFFAOYSA-N	276.292	1.556	10	20	CDCD	
Cc1cc(NC(=O)NCCc2ccc(N)cc2)nn1C	841154630	KLDKENFIYRULHK-UHFFFAOYSA-N	273.340	1.675	10	20	CDCD	
C[C@H](C(=O)NCC(F)(F)F)N(C)Cc1ccccc1O	269632237	MCCAELYGLPFUNJ-SECBINFHSA-N	290.285	1.891	10	20	CDCD	
O=C(OC[C@@H]1CCCOC1)c1cccc(O)c1O	758573196	POUVRJNNKWIQOL-SECBINFHSA-N	252.266	1.681	10	20	CDCD	
Cc1ccc(C(=O)NCC[C@@H](C)N(C)C)c(O)c1O	855416248	UVZKJAYFHOHJEB-SNVBAGLBSA-N	266.341	1.476	10	20	CDCD	
COc1cc(CC(=O)NCc2ccccc2O)ccc1O	857472412	UDUJMZWVNBGGAJ-UHFFFAOYSA-N	287.315	1.965	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CCN2CCOCC2)cc1	750851536	ASIZUBBMTSKKLT-UHFFFAOYSA-N	291.395	1.091	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H]1CCCN1C	935945188	OBNBJSGZOXHWDL-LLVKDONJSA-N	283.368	1.588	10	20	CDCD	
CCCN(CC(=O)OC)Cc1cc2c(cc1O)OC[C@H]2O	768440673	XXLRQDUEKPWCJQ-CYBMUJFWSA-N	295.335	1.203	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCN(C)C1	773764125	XNNXGTQEOQBANW-CMPLNLGQSA-N	278.352	1.097	10	20	CDCD	
CC[C@@H](NCCCS(=O)(=O)NC)c1ccccc1O	775415654	UHZCLICPEIQKFT-GFCCVEGCSA-N	286.397	1.372	10	20	CDCD	
Oc1cccc(Cl)c1CN1CCn2ncnc2C1	770665012	ZOQCWNJVSIEHAJ-UHFFFAOYSA-N	264.716	1.653	10	20	CDCD	
C[C@@H](CO)[C@H]1CCCCN1C(=O)NCc1ccc(N)cc1	1120676784	CFVUAMVFHPPSAC-SWLSCSKDSA-N	291.395	1.961	10	20	CDCD	
CO[C@H]1COCC[C@H]1CNCc1cc(F)cc(F)c1O	883132990	LJXOZCXRWXTNLH-ZANVPECISA-N	287.306	1.812	10	20	CDCD	
O=C(NC[C@H]1CCCS1)c1c(F)ccc(O)c1O	789992072	ZCBBSBLDJKIBHF-SSDOTTSWSA-N	271.313	1.862	10	20	CDCD	
COc1ccc(CNC[C@H]2C[C@@H](O)C2)c(O)c1OC	895630670	BQICXJNOGPSKAV-JGZJWPJOSA-N	267.325	1.270	10	20	CDCD	
COc1ccc(CN(CCO)CC(F)F)c(O)c1OC	894162567	VMJTVWONRFYMFC-UHFFFAOYSA-N	291.294	1.469	10	20	CDCD	
C[C@@H](N[C@H](C)c1nnnn1C)c1ccc(N(C)C)cc1	786785595	PACKCUCZPDTVME-GHMZBOCLSA-N	274.372	1.688	10	20	CDCD	
C[C@H]1CN(Cc2ccc(Br)cc2O)C[C@@H]1O	897679402	KALAEJQTFKQTFK-UFBFGSQYSA-N	286.169	1.967	10	20	CDCD	
Cc1cc(C)c(O)c(CN2CC[C@@H]3NC(=O)OC[C@H]3C2)c1	799143535	OJUBNPKXMSGVNP-KGLIPLIRSA-N	290.363	1.939	10	20	CDCD	
COCCC1(CNC(=O)NCc2ccc(N)cc2)CC1	1346648330	MPOMJKOSLOXYRC-UHFFFAOYSA-N	277.368	1.885	10	20	CDCD	
CO[C@H]1COCC[C@@H]1CC(=O)NCc1cccc(O)c1O	1348046050	HIBVSTRKCRVZCY-MFKMUULPSA-N	295.335	1.156	10	20	CDCD	
Nc1ccc(CNC(=O)[C@H]2C[C@H]3CC[C@H]2NC3)cc1	1515330753	AHWIIOYMGRWWPO-KWCYVHTRSA-N	259.353	1.273	10	20	CDCD	
Cc1ccc(O)c(CNCc2cc(C(=O)O)no2)c1	1607811690	RXQQXDGMYOIZOT-UHFFFAOYSA-N	262.265	1.677	10	20	CDCD	
C/C(=C\CNC(=O)NCc1cccc(Cl)c1O)C(=O)O	1602973824	YJGDEMUSEKWFRR-VMPITWQZSA-N	298.726	1.876	10	20	CDCD	
NC1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1	1574270683	OEMWDAXOLFVAIJ-UHFFFAOYSA-N	292.360	1.876	10	20	CDCD	
COC(=O)[C@@H]1CC[C@H](C(=O)Nc2ccc(N)cc2)C1	1578831941	ABHILXFMUIHFES-VHSXEESVSA-N	262.309	1.797	10	20	CDCD	
COc1cccc(CN2CCCN(C)CC2)c1O	19358778	JGESVUQYYRXJHM-UHFFFAOYSA-N	250.342	1.538	10	20	CDCD	
CN1CCCc2cc(CNC(=O)c3cc[nH]c(=O)c3)ccc21	151335955	XIQWLIZXBSQZRI-UHFFFAOYSA-N	297.358	1.687	10	20	CDCD	
COc1ccc(N(C)C[C@@H]2CNCCO2)cc1Cl	852746528	MTHGVOAPPUQVCR-NSHDSACASA-N	270.760	1.773	10	20	CDCD	
CCC(CC)[C@@H](O)CNC(=O)Cc1ccc(N)cc1	226346955	YTTMGQJMQAFINX-AWEZNQCLSA-N	264.369	1.725	10	20	CDCD	
COCC1(CNC(=O)c2cccc(O)c2O)CCC1	281927729	AYORRFDBOLQBCC-UHFFFAOYSA-N	265.309	1.644	10	20	CDCD	
C[C@@H](CN1CCCC1=O)NCc1cc(F)cc(F)c1O	708536027	UCIYNYLPXQQHFQ-VIFPVBQESA-N	284.306	1.771	10	20	CDCD	
C[C@@H](O)[C@@H]1CCN(Cc2ccc(N3CCOCC3)cc2)C1	305842406	HNFRVFZPMQZTOP-GDBMZVCRSA-N	290.407	1.726	10	20	CDCD	
CO[C@H](C)CC(=O)NCCc1ccc(O)c(O)c1	122387895	TZSXGTVYFZPZLB-SECBINFHSA-N	253.298	1.182	10	20	CDCD	
CN(Cc1ccccc1O)S(=O)(=O)CCCC(=O)O	37838630	WBDYWZKMHXLUKA-UHFFFAOYSA-N	287.337	1.019	10	20	CDCD	
Cc1ccc(O)c(CN2CCS(=O)(=O)CC[C@@H]2C)c1	192057806	LGSYIZQAPBEJEH-LBPRGKRZSA-N	283.393	1.710	10	20	CDCD	
Cn1cc(CC(=O)NCc2ccc(N3CCCC3)cc2)cn1	195476099	IUNLRNGXZDMHSI-UHFFFAOYSA-N	298.390	1.879	10	20	CDCD	
CCOc1cccc(CN2CC[C@@H](C)[C@@H]2CO)c1O	191182359	NPJCSLCDWRIIMU-YPMHNXCESA-N	265.353	1.994	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)CC1(O)CCC1	450046293	IQZSTERJFIHBMN-UHFFFAOYSA-N	290.363	1.783	10	20	CDCD	
C[C@@H](NCc1ccc(N(C)C)c(F)c1)c1ncnn1C	276761566	UVYSBOVUCPFBEO-SNVBAGLBSA-N	277.347	1.871	10	20	CDCD	
C[C@H](NCc1nnc2n1CCC2)c1ccc(F)cc1O	273399771	MUZAEQQFQCJZNZ-VIFPVBQESA-N	276.315	1.920	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CCC(CO)CC1	272675058	QWDKCISFNCNDCH-DUXPYHPUSA-N	277.320	1.342	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2CCOCC2)c1O	278330733	ZHUDXDZAEJVZMO-UHFFFAOYSA-N	268.269	1.141	10	20	CDCD	
CN1CC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)C1	272378152	FIEUYUJERDZFQX-OGOUPESXSA-N	276.336	1.179	10	20	CDCD	
O=C1CN(Cc2c(O)cccc2Cl)CN1C1CC1	280420346	IPCLVPDKXCCQEX-UHFFFAOYSA-N	266.728	1.810	10	20	CDCD	
CC[C@@H](NC[C@H]1CN(C)CCN1C)c1ccc(F)cc1O	285520326	BDGVFUCQIPMWQC-DZGCQCFKSA-N	295.402	1.818	10	20	CDCD	
CC(C)[C@H](CO)CNC(=O)/C=C/c1ccc(O)c(O)c1	805308989	COIWTHSLKKAFII-FUEXJSSKSA-N	279.336	1.492	10	20	CDCD	
COCC1(CN[C@@H]2CCc3cccc(O)c32)CCNCC1	817973624	FMYINBWYZVWRFX-CQSZACIVSA-N	290.407	1.985	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)NC(C)(C)CCN	817875916	BZPWVXIQSUMSMW-UHFFFAOYSA-N	292.427	1.988	10	20	CDCD	
C[C@@H](NCCCN1CCNCC1)c1ccccc1O	817934804	CVPDJDATSJXILC-CYBMUJFWSA-N	263.385	1.338	10	20	CDCD	
CN(C)c1ccc(CN2CCc3nn[nH]c3C2)cc1F	827885343	XMIVUTALXGUIMY-UHFFFAOYSA-N	275.331	1.568	10	20	CDCD	
COC(=O)C1CCC(NC(=O)Cc2ccc(N)cc2)CC1	828866539	GPTNGLXUJYIULJ-UHFFFAOYSA-N	290.363	1.659	10	20	CDCD	
O[C@@H](CNc1ccccc1OCCF)C[C@]1(O)CCOC1	905338020	IHVJXEYLRWLABI-IUODEOHRSA-N	299.342	1.349	10	20	CDCD	
O=C(NCc1nnc(S)n1C1CC1)c1cc(O)cs1	732288356	QMQPPZPSKYAMQP-UHFFFAOYSA-N	296.377	1.599	10	20	CDCD	
O=C(O)/C=C\c1ccc(N2CCC[C@@H]2CO)c([N+](=O)[O-])c1	739627260	XSBFUUJMMVWWJC-VLWUPBBWSA-N	292.291	1.654	10	20	CDCD	
C[C@@H]1C[C@@H](N[C@@H]2COC[C@H]2O)c2c(O)ccc(F)c21	834897966	XSULCXBUFYLBEX-UGKPPGOTSA-N	267.300	1.429	10	20	CDCD	
O=C(O)[C@]1(F)CCN(Cc2cc3c(cc2O)CCC3)C1	833174210	CLALRJMSKCILRL-HNNXBMFYSA-N	279.311	1.880	10	20	CDCD	
O=C(NCC1(C(=O)O)CCOCC1)c1cc(O)cs1	833766286	BKIIHEOROJTBRT-UHFFFAOYSA-N	285.321	1.065	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@@H](O)c1cccnc1	731871942	RALXUOXURPKAPB-AWEZNQCLSA-N	272.304	1.479	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@@H](O)C(C)(C)C	735848760	DGXYMCJLGFJEQK-GFCCVEGCSA-N	251.326	1.758	10	20	CDCD	
COc1ccc(O)c(CNC(=O)O[C@H]2CCOC2)c1	914163231	WFPNTMQEIMCJNH-NSHDSACASA-N	267.281	1.416	10	20	CDCD	
CC[C@H]1CN(CC)CCN1C(=O)c1cccc(O)c1O	836947782	LVHPQANLTMZZRP-NSHDSACASA-N	278.352	1.654	10	20	CDCD	
CCc1cccc(CN(C)CCOCCO)c1O	848909367	RWQJTXJTLKZIHH-UHFFFAOYSA-N	253.342	1.395	10	20	CDCD	
NCC[C@@H](NC(=O)NCc1ccccc1O)C(F)(F)F	841335666	RLCSWIVGXBMRQS-SNVBAGLBSA-N	291.273	1.471	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNC[C@H]2CCCN2)c1O	841036594	RRSYUDUSHYPWRF-SNVBAGLBSA-N	281.312	1.151	10	20	CDCD	
CCC(CC)CNC(=O)C(=O)NCCc1ccc(N)cc1	842135110	LSYXWHCAXSOTCF-UHFFFAOYSA-N	291.395	1.480	10	20	CDCD	
CCCNC(=O)Cc1noc(Cc2ccc(N)cc2)n1	843218208	SFTBCEKKGLOKSM-UHFFFAOYSA-N	274.324	1.311	10	20	CDCD	
Cc1cc(N(C)C)ccc1[C@@H]1NC(=O)[C@H]2CSCCN21	840820918	UJYGSNMKGKRAOQ-ZIAGYGMSSA-N	291.420	1.607	10	20	CDCD	
COc1ccc(O)c(CN[C@@H]2CCCN[C@@H]2C)c1	841064337	FDDNGTTZSLOOMU-ZWNOBZJWSA-N	250.342	1.631	10	20	CDCD	
CC(C)N(C)C[C@H](C)NC(=O)NCCc1ccc(N)cc1	841904654	RMJUETXTTDOIDU-ZDUSSCGKSA-N	292.427	1.839	10	20	CDCD	
Nc1ccc(NC(=O)N2CC(=O)N[C@@H]3CCCC[C@H]32)cc1	841298199	NPNJAEDEKIGYKM-CHWSQXEVSA-N	288.351	1.544	10	20	CDCD	
CN1CCN(c2ccc(CNCC3(N)CCC3)cc2)CC1	841049920	XTZCNWBBPVTAOI-UHFFFAOYSA-N	288.439	1.409	10	20	CDCD	
CCc1cccc(CN2C[C@H](CO)OC(C)(C)C2)c1O	848918033	NHTUKHWPHFIOAN-CQSZACIVSA-N	279.380	1.926	10	20	CDCD	
CNC(=O)C(C)(C)CN[C@H](C)c1cccc(OC)c1O	846158881	LUUXLLFKIOFMEH-SNVBAGLBSA-N	280.368	1.824	10	20	CDCD	
C[C@H](O)CCNCc1cc(F)c(N(C)C)cc1F	858138182	RGGAPUKYLLWQHA-VIFPVBQESA-N	258.312	1.891	10	20	CDCD	
C[C@@H](NCc1nc(O)cc(CN)n1)c1cc(F)ccc1O	854232089	LJFGJXNISQEYOA-MRVPVSSYSA-N	292.314	1.336	10	20	CDCD	
CC(C)N1CCC[C@@H]1C(=O)NCc1ccc(N)cc1	927768741	TZOPCXDPYAZEFC-CQSZACIVSA-N	261.369	1.758	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)NCCN(C)OC)c1	850479057	KWHLAKMGGCEDQD-JTQLQIEISA-N	282.340	1.323	10	20	CDCD	
O=C1CN(C(=O)c2cc(O)cs2)[C@@H]2CCCC[C@H]2N1	759099214	KHTJHBLDOGKBOC-NXEZZACHSA-N	280.349	1.337	10	20	CDCD	
C[C@H](NCCC(=O)N(C)C)c1cc(F)cc(F)c1O	756517887	PVXRLHMADLBXCJ-QMMMGPOBSA-N	272.295	1.799	10	20	CDCD	
COc1cccc([C@H](C)N[C@H]2C[C@H](CO)C2)c1O	927144358	KMZMCAVYXPGONC-DCAQKATOSA-N	251.326	1.822	10	20	CDCD	
CO[C@H]1C[C@H](NC(=O)NCc2ccc(N(C)C)c(F)c2)C1	858984387	BHTLEJTWDVGWRA-HAQNSBGRSA-N	295.358	1.868	10	20	CDCD	
CN(C)c1ccc([C@H](N)CN[C@@H]2CCNC2(C)C)cc1	925693855	SCXYVHKUUCZJGD-HUUCEWRRSA-N	276.428	1.483	10	20	CDCD	
COc1ccc(N2CCN(Cc3cnon3)CC2)cc1F	851807110	DCCGHTLFDDZGTC-UHFFFAOYSA-N	292.314	1.540	10	20	CDCD	
Cc1ccc([C@H](C)NCC2(CO)COC2)c(O)c1C	756761694	RBOZBLPJVGAJKX-LBPRGKRZSA-N	265.353	1.669	10	20	CDCD	
CC1(CO)CCN(C(=O)c2cc(O)cs2)CC1	762814855	HWOMNEBXOQOKLL-UHFFFAOYSA-N	255.339	1.688	10	20	CDCD	
COc1cccc(O)c1CN1CCC[C@@H](CCO)C1	769333975	MAZQDKHPMCQJTF-LBPRGKRZSA-N	265.353	1.995	10	20	CDCD	
CN(C)c1ccc(CNC(=O)C(C)(C)C(N)=O)cc1F	767778357	KRPYLWIINXPTPR-UHFFFAOYSA-N	281.331	1.019	10	20	CDCD	
Cc1ccc(CN2CCS(=O)(=O)C[C@H]2C)c(O)c1	876747601	HVGPMIGGIMXVTE-LLVKDONJSA-N	269.366	1.320	10	20	CDCD	
CCC[C@@H](OCC)C(=O)NCCc1ccc(O)c(O)c1	860237278	OMIZJSSNGLISPZ-CQSZACIVSA-N	281.352	1.962	10	20	CDCD	
COc1ccc(N2CCC(NCC[S@@](C)=O)CC2)cc1	766048691	BHGVUTLGXIXDNO-HXUWFJFHSA-N	296.436	1.632	10	20	CDCD	
O=[N+]([O-])c1ccc(O)c(CNCCc2cnccn2)c1	774830916	GKZWYMWWNCBYIT-UHFFFAOYSA-N	274.280	1.423	10	20	CDCD	
C[C@]1(C(=O)NCCCSc2nccs2)CCNC1=O	874465117	RIVLJHXYRXBZMA-GFCCVEGCSA-N	299.421	1.268	10	20	CDCD	
OC1CCN(c2ccc(CN[C@H]3C[C@H](O)C3)cc2)CC1	877640580	AIEBIBADIQUPLY-SAZUREKKSA-N	276.380	1.261	10	20	CDCD	
CSC[C@@](C)(O)CNC(=O)/C=C/c1ccc(O)c(O)c1	779483556	DYHVTDBAQZDPMY-YVZNUBBCSA-N	297.376	1.341	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NCc2nnc3n2CCC3)c1	775371961	WCQAPTQSCQSDSC-SNVBAGLBSA-N	288.351	1.789	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CNCC2(C)C)c1	884310345	VRAOENWPGFRPRX-GWCFXTLKSA-N	292.379	1.824	10	20	CDCD	
COC(=O)[C@H]1CCN(Cc2cc(F)ccc2O)[C@@H]1C	787422032	XSOPCUOZIJXTHP-SKDRFNHKSA-N	267.300	1.915	10	20	CDCD	
COc1cc(C)cc(CN2C[C@H](C)[C@H](O)C2)c1O	897676763	XKZBATCOYWECQZ-CMPLNLGQSA-N	251.326	1.522	10	20	CDCD	
CCN(CCO)Cc1ccc(OC)c(OC)c1O	891451864	UBQROYRPDPNACC-UHFFFAOYSA-N	255.314	1.224	10	20	CDCD	
COc1cc(C)cc(CNCC[C@@]2(O)CCCOC2)c1O	895149502	JCZPDZMLEVYNGR-INIZCTEOSA-N	295.379	1.730	10	20	CDCD	
COc1ccc(CN(C)C[C@@H](C)OC)c(O)c1OC	894435404	OSMZJLWYGXIYOD-SNVBAGLBSA-N	269.341	1.876	10	20	CDCD	
Cc1ccc(O)c(CN(C)CC(=O)N2CCCC2)c1	132700222	BNYWXDYRHMOLLO-UHFFFAOYSA-N	262.353	1.755	10	20	CDCD	
COC(=O)[C@H](NCc1ccc(OC)c(OC)c1O)C1CC1	893952638	YGYUVCQYBWWAQL-GFCCVEGCSA-N	295.335	1.451	10	20	CDCD	
Nc1ccc(CNC(=O)c2snnc2C2CC2)cc1	1356238047	FJALCAOVNBGLGF-UHFFFAOYSA-N	274.349	1.928	10	20	CDCD	
C[C@@H](N[C@H]1CC(=O)N(C)C1)c1ccc(F)cc1O	273554446	GMRFHZKSSMKWQI-SCZZXKLOSA-N	252.289	1.413	10	20	CDCD	
NCCCNCc1cc(Br)cc(F)c1O	715711069	COMGGQCTCDXWBL-UHFFFAOYSA-N	277.137	1.732	10	20	CDCD	
CN(C)c1ccc([C@H](N)CNC(=O)c2ccnc(N)c2)cc1	1332047223	HXBULQSWVHGYAN-CQSZACIVSA-N	299.378	1.160	10	20	CDCD	
CCOCCO[C@H]1CCN(Cc2ccc(N)cc2)C1	1335285525	OSRBDUBTGXQHQQ-HNNXBMFYSA-N	264.369	1.896	10	20	CDCD	
CN1CCCc2cc(CNC(=O)c3cc(N)ccn3)ccc21	1346343683	BIALBGLZGPJNHN-UHFFFAOYSA-N	296.374	1.976	10	20	CDCD	
COC[C@@H](C)n1nnnc1N(C)Cc1ccccc1O	1351027189	YCRRWOXHFNGVCN-SNVBAGLBSA-N	277.328	1.223	10	20	CDCD	
C[C@H](NC1CCOCC1)c1cc(C(=O)O)ccc1O	1604330163	VTMPBBJQDHVUBO-VIFPVBQESA-N	265.309	1.920	10	20	CDCD	
COc1ccc(N2CC[C@H](N[C@H](C)CC(=O)O)C2)cc1	1604809430	ISYIDJNNMKFCJN-NEPJUHHUSA-N	278.352	1.727	10	20	CDCD	
CC1(C(=O)O)CN(Cc2cc3c(cc2O)OCO3)C1	1593808472	PYJBACRSHFYAJC-UHFFFAOYSA-N	265.265	1.027	10	20	CDCD	
COc1ccc(CNC(=O)[C@H]2CC[C@H]2C(=O)O)c(O)c1	1594094619	OWDFMLMYBDYQNW-WDEREUQCSA-N	279.292	1.128	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2ccc(C=O)[nH]2)c1	155968388	LKXQVXVIELTQQM-UHFFFAOYSA-N	274.276	1.471	10	20	CDCD	
CCCCO[C@H](C)C(=O)NCc1ccc(O)c(O)c1	159060679	NZENJWZQILRCSP-SNVBAGLBSA-N	267.325	1.919	10	20	CDCD	
COc1cccc(O)c1CN1CC[C@H]([C@H](C)N)C1	843058454	SMLPCBGVLFIBFW-QWRGUYRKSA-N	250.342	1.570	10	20	CDCD	
Oc1cc2c(cc1CNCCO[C@@H]1CCOC1)OCO2	922939257	MTOGIZXGGLPWRG-LLVKDONJSA-N	281.308	1.016	10	20	CDCD	
c1cc2c(cc1CN[C@@H]1[C@@H]3C[C@@H]4[C@@H]1NC[C@@H]4C3)CCO2	925560959	XRUXKLSPRJEWGM-WAXYHTEFSA-N	270.376	1.708	10	20	CDCD	
C[C@@H](NC(=O)CNC(=O)C(C)(C)C)c1ccccc1O	827923279	NRJWIMNFPSQXJH-SNVBAGLBSA-N	278.352	1.732	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NCC2([S@](C)=O)CC2)c1	282462238	VSDJFGIHMIRNIG-DGIBIBHMSA-N	283.393	1.963	10	20	CDCD	
C[C@@H](NC[C@H]1CCCS(=O)(=O)C1)c1ccccc1O	284235054	VGJHSWXFUYFUIN-VXGBXAGGSA-N	283.393	1.868	10	20	CDCD	
COc1cc(O)c(CNCC(F)(F)CO)cc1OC	185661907	ZDUUCVUNZAWCPU-UHFFFAOYSA-N	277.267	1.127	10	20	CDCD	
O=C(NCc1c(O)ccc2c1CCCC2)c1cc[n+]([O-])cc1	75159749	XDEPJTKXFXLCPG-UHFFFAOYSA-N	298.342	1.834	10	20	CDCD	
CN(C)c1ccc(CN(CCO)CC(F)F)cc1	193019689	SXECRCJTHBMGHY-UHFFFAOYSA-N	258.312	1.812	10	20	CDCD	
COC[C@H](CCO)N[C@@H](C)c1cc(F)ccc1O	230663356	WGAKKSAYBYWBKG-ONGXEEELSA-N	257.305	1.579	10	20	CDCD	
Nc1ccc(NC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)cc1	238006856	GZXQLPKCPNGAJO-LLVKDONJSA-N	287.363	1.998	10	20	CDCD	
NCCCCCCC(=O)NCCc1ccc(N)cc1	262589506	ZDPIYXIVOBHJMG-UHFFFAOYSA-N	263.385	1.837	10	20	CDCD	
C[C@H]1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C1	263764361	ZKMVKKIBRGHHNO-VIFPVBQESA-N	298.364	1.246	10	20	CDCD	
CCN(CC)c1ccc(CN[C@H](CO)COC)cc1F	279855635	SDQPPQQDMZGQLP-CYBMUJFWSA-N	284.375	1.769	10	20	CDCD	
COC[C@H](NCc1cc(F)ccc1O)[C@@H]1CCCO1	279347687	FXOYMJGXNCWNFZ-JSGCOSHPSA-N	269.316	1.815	10	20	CDCD	
CC1(C)OCC(C)(C(=O)NCc2ccccc2O)CO1	271822437	AMNPNGKXGKKBBE-UHFFFAOYSA-N	279.336	1.798	10	20	CDCD	
CC[C@@H](NCCS(=O)(=O)NC)c1ccc(F)cc1O	287398873	JBLIZNMOEUWTOU-LLVKDONJSA-N	290.360	1.121	10	20	CDCD	
Cc1ccc(C(=O)N2CCn3cncc3C2)c(O)c1O	291794828	BESVYLITDDCSSS-UHFFFAOYSA-N	273.292	1.259	10	20	CDCD	
C[C@H]1COCC[C@H]1CNC(=O)c1c(F)ccc(O)c1O	295688768	IVNKEVKWAWMNRI-IUCAKERBSA-N	283.299	1.639	10	20	CDCD	
O=C(c1cccc(O)c1O)N1C[C@@H](CO)c2ccccc21	817782760	NSQCVRFVDYPHNP-JTQLQIEISA-N	285.299	1.834	10	20	CDCD	
CC1(C(=O)NCc2c(O)ccc3c2CCCC3)CNC1	817996993	IIRSXZCIMRNSTE-UHFFFAOYSA-N	274.364	1.497	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)Cc1cncc(O)c1	816889157	OEFOMJSBWZXXPR-UHFFFAOYSA-N	272.304	1.694	10	20	CDCD	
CN(C)c1ccc(CN2CCO[C@@H](C(=O)O)C2)cc1F	820548017	SAADCRQQPXNERO-CYBMUJFWSA-N	282.315	1.177	10	20	CDCD	
COc1cccc(CNC(=O)COc2cc(C)on2)c1O	729859509	RKBPFMVDBWMEAF-UHFFFAOYSA-N	292.291	1.392	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)[C@@H]1C[C@H]1C(=O)O	737021586	XSIZCTRGAOBRKY-VXGBXAGGSA-N	277.320	1.852	10	20	CDCD	
CC(C)C[C@@H](CO)NC(=O)/C=C\c1ccc(O)c(O)c1	588408575	HCQZMEIFMJFVIC-RNZFLTOJSA-N	279.336	1.634	10	20	CDCD	
CCn1cnc(C(=O)NCc2cc(OC)ccc2O)c1	830544658	SLSYOFHROUPCLU-UHFFFAOYSA-N	275.308	1.547	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1NC(=O)O[C@H]1C	841394844	QLVZTMFQHCRXKH-GWCFXTLKSA-N	291.351	1.174	10	20	CDCD	
CCN1C[C@H](CNCc2cc3c(cc2O)OCO3)CC1=O	846092674	HMTPXCXZRIMNHU-JTQLQIEISA-N	292.335	1.079	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2C[C@H]3C[C@H]3N2)c1	843489468	PJMJFACWVCDXPA-RQSQLSILSA-N	276.336	1.328	10	20	CDCD	
CC[C@H](NC(=O)NCCc1ccc(N)cc1)[C@@H](C)O	841955669	JLXHSCYKGLWUHH-MFKMUULPSA-N	265.357	1.270	10	20	CDCD	
COc1cc(O)c(CN[C@H](CN)CC(C)C)cc1OC	841038683	NUFQURVYJJJKRB-LBPRGKRZSA-N	282.384	1.872	10	20	CDCD	
CCC[C@H](O)C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1	911668246	XFKFMYMMIZDNMB-KGLIPLIRSA-N	279.384	1.030	10	20	CDCD	
COC[C@@H](CCO)N[C@@H](C)c1cccc(OC)c1O	846144578	LFWXUMYHDOSYFD-WDEREUQCSA-N	269.341	1.449	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC[C@@H]1CCCS1(=O)=O	840935703	AURSFZHLUFJUCW-HNNXBMFYSA-N	296.436	1.728	10	20	CDCD	
NCC(F)(F)CNCc1ccc(N2CCOCC2)cc1	841060527	YZUQMEKMPYLKSV-UHFFFAOYSA-N	285.338	1.207	10	20	CDCD	
C[C@@H](O)[C@H](O)CN(Cc1ccccc1O)C1CCCC1	929636683	YTUVAESGIGHMRD-MLGOLLRUSA-N	279.380	1.879	10	20	CDCD	
C[C@@H](Nc1ncnc2c1nnn2C)c1ccc(N(C)C)cc1	853484448	KCVGSJLTPCCDOA-SNVBAGLBSA-N	297.366	1.997	10	20	CDCD	
O=C(c1c(F)ccc(O)c1O)N1CC[C@@H]2C[C@@H]2C1	857331439	WTQFXZDEQHNOSM-HTQZYQBOSA-N	251.257	1.719	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@H]2CC[C@@H](N)CC2)cc1	870856811	XGKLGWDQINCBLU-OKILXGFUSA-N	275.396	1.886	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2cnn3ncccc23)cc1	765974600	VHNCMAAJODODPR-UHFFFAOYSA-N	295.346	1.725	10	20	CDCD	
COc1cccc(O)c1CN1CCO[C@@H]([C@@H]2CCCO2)C1	770303720	IUCGKXKYANEMED-JKSUJKDBSA-N	293.363	1.781	10	20	CDCD	
C[C@H](O)[C@@H](C)NCc1ccc(N2CCC(CO)CC2)cc1	1118179611	ZUVCAPYXLDHDGM-KGLIPLIRSA-N	292.423	1.754	10	20	CDCD	
COc1ccc(O)c([C@H](C)NS(=O)(=O)NC(C)C)c1	778628163	UQMCHOTVKAUYDQ-VIFPVBQESA-N	288.369	1.294	10	20	CDCD	
CNC(=O)[C@H]1CCC[C@H]1NCc1cc(F)ccc1O	779102179	RQKRFKATZFIHJE-NWDGAFQWSA-N	266.316	1.536	10	20	CDCD	
COC[C@@H](C)NCc1ccc([N+](=O)[O-])c(OC)c1O	774943552	VHPZBFHCZDIAER-MRVPVSSYSA-N	270.285	1.434	10	20	CDCD	
Cc1noc(COC(=O)/C=C/c2ccc(O)c(O)c2)n1	772774707	KCOIAJFMHYJSFN-HWKANZROSA-N	276.248	1.546	10	20	CDCD	
C[C@H](NCC1(C(N)=O)CCOCC1)c1c(O)cccc1F	886502619	HMWKXUKCLNOCPS-JTQLQIEISA-N	296.342	1.464	10	20	CDCD	
C[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1ncnn1C	789864867	NAXRSTMLYCUIHJ-XTULLQBASA-N	288.307	1.117	10	20	CDCD	
COc1ccc(N2CCC(NC[C@H]3COCO3)CC2)cc1	894875288	AIRYRFIEQVNWHD-INIZCTEOSA-N	292.379	1.627	10	20	CDCD	
C[C@@H](NC(=O)NCC[C@@H]1CCNC1)c1ccccc1O	892001413	VIAXPHOMHYMKKE-NEPJUHHUSA-N	277.368	1.752	10	20	CDCD	
CCOc1cccc(CN2[C@H](C)C(=O)N[C@@H](C)[C@H]2C)c1O	895117308	SOTHHIQFTMHPFF-QJPTWQEYSA-N	292.379	1.888	10	20	CDCD	
C[C@@H](NC(=O)NC[C@@H]1CCCCN1)c1ccccc1O	891972172	XOTVHJRCBHWDSC-NEPJUHHUSA-N	277.368	1.895	10	20	CDCD	
CNC(=O)[C@]1(C)CCN(Cc2c(O)ccc3ccncc23)C1	797416201	YXKBVIPSBMBXTH-QGZVFWFLSA-N	299.374	1.898	10	20	CDCD	
CCN(CC(N)=O)Cc1ccc(Br)cc1O	691781580	WDCWSPYDISPQSW-UHFFFAOYSA-N	287.157	1.462	10	20	CDCD	
COC(=O)[C@H](C)NCc1c(O)cccc1Br	706863888	XKCXQJGUMGNSKQ-ZETCQYMHSA-N	288.141	1.806	10	20	CDCD	
CC[C@@H](F)C(=O)NCc1ccc(N2CCOCC2)cc1	1336304272	SHEYCIBHRMJLCH-CQSZACIVSA-N	280.343	1.888	10	20	CDCD	
C[C@H]1COCCN(C(=O)NCCc2ccc(N)cc2)C1	1335889516	DZLGRCWGXOAIHG-GFCCVEGCSA-N	277.368	1.489	10	20	CDCD	
Cc1ccc(C(=O)NCc2cc(C(=O)O)co2)c(O)c1O	1607733567	OSPXLRCPTSPTHN-UHFFFAOYSA-N	291.259	1.627	10	20	CDCD	
O=C(N[C@H]1C[C@@H]2C[C@]2(C(=O)O)C1)c1cc(O)cs1	1601575225	XNHRWCNZZCARCN-LTMDPNIMSA-N	267.306	1.437	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1CCCNC[C@H]1C(=O)O	1600236979	PHNGMNXZYMITKB-HNNXBMFYSA-N	291.395	1.310	10	20	CDCD	
COCC[C@H](N)C(=O)NCc1cc(Cl)ccc1O	1573974403	GJLUETSMVLYQBC-JTQLQIEISA-N	272.732	1.026	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H](C(=O)O)C1CC1	1590346186	JXYPHXHZGDEDFR-GFCCVEGCSA-N	298.335	1.605	10	20	CDCD	
C[C@@H]1OCC[C@]1(C)NCc1cc2c(cc1O)OCO2	230153853	XXXHQIKWNHYHDA-XPTSAGLGSA-N	265.309	1.778	10	20	CDCD	
COc1cccc(CNC[C@@H]2CCCS2(=O)=O)c1O	126928114	QUNKEGQKEIRVHA-NSHDSACASA-N	285.365	1.068	10	20	CDCD	
COc1ccc(O)c(CN2C[C@H]3[C@@H](N)CCC[C@H]3C2)c1	130642339	WNWKOKDBTLKUQM-GLQYFDAESA-N	276.380	1.960	10	20	CDCD	
COc1ccc(CNC[C@]2(O)CCSC2)cc1C	267008514	FYACACSPZOPSOX-CQSZACIVSA-N	267.394	1.961	10	20	CDCD	
COc1ccc(O)c(CN2CC[C@H](CN(C)C)C2)c1	180230477	SRFNLKMIYBKKCC-GFCCVEGCSA-N	264.369	1.784	10	20	CDCD	
CNC(=O)CN(Cc1ccccc1O)C[C@@H]1CCCO1	96970993	LQXLJPRUMYZXSJ-ZDUSSCGKSA-N	278.352	1.119	10	20	CDCD	
C[C@@H](NCCCCS(C)(=O)=O)c1ccccc1O	692804070	UULYNDBLUUICDR-LLVKDONJSA-N	271.382	1.868	10	20	CDCD	
Cc1ncc(S(=O)(=O)Nc2ccc(O)cc2)s1	225606882	DZRRPZMKRAIQQG-UHFFFAOYSA-N	270.335	1.958	10	20	CDCD	
CC(=O)N(C)CC(=O)NCc1ccc2c(c1)CCCN2C	58769578	STRIRQZJSFGXKA-UHFFFAOYSA-N	289.379	1.164	10	20	CDCD	
CCOC(=O)c1cnn2c(O)cc(CN3CCCC3)nc12	51125728	UCECEIKMEVZDEX-UHFFFAOYSA-N	290.323	1.207	10	20	CDCD	
CN1CCCc2cc(CNC(=O)c3ccc(O)nn3)ccc21	57550107	MNHLFJONGYSUOU-UHFFFAOYSA-N	298.346	1.495	10	20	CDCD	
NC(=O)CN(Cc1ccccc1)Cc1ccccc1O	179574146	NKUQAYYJRSAWMO-UHFFFAOYSA-N	270.332	1.880	10	20	CDCD	
CCOc1cccc(CN2CCN3C(=O)CC[C@H]3C2)c1O	211268111	GGJRYKYPOAOKLN-ZDUSSCGKSA-N	290.363	1.598	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NCC(F)(F)CO)c1	184694492	WNWRAURQZQJMJT-MRVPVSSYSA-N	261.268	1.679	10	20	CDCD	
CC(C)N(CC(=O)O)C(=O)Cc1ccc(N)cc1	40483393	JQLOEZCQYBLUQT-UHFFFAOYSA-N	250.298	1.133	10	20	CDCD	
COC(=O)c1cnc(SCC(=O)N(C)C)s1	295366797	SAIKQHCPOMTTEG-UHFFFAOYSA-N	260.340	1.110	10	20	CDCD	
CN1CCCc2cc(CNC(=O)[C@]3(C)CCNC3)ccc21	237129233	FKLAURIQTFJZJM-QGZVFWFLSA-N	287.407	1.685	10	20	CDCD	
CC(C)n1cc(S(=O)(=O)Nc2ccc(O)cc2)cn1	271972423	USMRVNWCZSYZGT-UHFFFAOYSA-N	281.337	1.970	10	20	CDCD	
Cc1cccc(CN[C@]2(CCO)CCOC2)c1O	278766188	UFFPUFLZUHDFQT-CQSZACIVSA-N	251.326	1.332	10	20	CDCD	
O=C(NC[C@H](O)C1CCCCC1)c1c(F)ccc(O)c1O	276644181	YCQPHECHCZABAK-LBPRGKRZSA-N	297.326	1.908	10	20	CDCD	
C[C@@H](CO)CN[C@H](C)c1cc([N+](=O)[O-])ccc1O	273426616	UHZCKPMMENULJQ-RKDXNWHRSA-N	254.286	1.579	10	20	CDCD	
CC(=O)C(=O)CSc1nnc(-c2cccs2)n1C	289613683	LBXTWLPZMKPFMS-UHFFFAOYSA-N	281.362	1.794	10	20	CDCD	
C[C@@H]1CN(Cc2ccccc2O)C[C@@]2(CCOC2)O1	280321979	QKIZMKUOZHDVNU-IUODEOHRSA-N	263.337	1.772	10	20	CDCD	
CC(=O)N[C@@H](C(=O)NCc1ccc(N)cc1)C1CCCC1	297338051	YGYFXTCWOHIBRV-OAHLLOKOSA-N	289.379	1.580	10	20	CDCD	
C[C@H](CO)CNC(=O)NCc1ccc2c(c1)CCCN2C	299321192	LDOBTHUOXCSFDY-LBPRGKRZSA-N	291.395	1.497	10	20	CDCD	
CC[C@H](NCc1ccc([N+](=O)[O-])c(OC)c1O)C(C)(C)O	293548674	DQJOQJFCTOAIEK-NSHDSACASA-N	298.339	1.948	10	20	CDCD	
Cc1nc2ccc(NCc3ccccc3O)nn2n1	804398598	MCNXTUJNZHWSBL-UHFFFAOYSA-N	255.281	1.750	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@H]2C[C@H]3CC[C@H]2NC3)cc1	394694251	QSCQAQYJIVGFFY-VNQPRFMTSA-N	287.407	1.757	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)C2(C(C)=O)CC2)c1	815835111	KJOMRCAPBCBWCW-SECBINFHSA-N	277.320	1.947	10	20	CDCD	
COc1ncc(/C=C/C(=O)N(C)c2ccnc(C)c2)cn1	492743391	VMTTXWUQDQVMML-SNAWJCMRSA-N	284.319	1.865	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2cnn(C)c2)c1	734018871	JRZMZUTZOPXPAB-UHFFFAOYSA-N	261.281	1.064	10	20	CDCD	
CCN(C)c1ccc(CN(C)CCN2CCOCC2)cc1	741754597	SPBQHWUPRUKSQG-UHFFFAOYSA-N	291.439	1.907	10	20	CDCD	
Nc1ccc(Cc2noc(C[C@H]3CCCO3)n2)cc1	843159523	SBYKCIPAWMLRPY-GFCCVEGCSA-N	259.309	1.964	10	20	CDCD	
CN(CCN)Cc1cccc(Br)c1O	841100111	UXNPLZFGROUJPS-UHFFFAOYSA-N	259.147	1.545	10	20	CDCD	
C[C@@H]1CN(C(=O)NCc2ccc(N(C)C)c(F)c2)CCN1	841760230	JHJFJMHFFQBNMV-LLVKDONJSA-N	294.374	1.395	10	20	CDCD	
CC(C)=CC(=O)OCC(=O)c1ccc(O)c(O)c1	916590251	SLKYLJMZXKUHLA-UHFFFAOYSA-N	250.250	1.790	10	20	CDCD	
COc1cccc([C@@H](C)NC[C@@]2(O)CCN(C)C2)c1O	846166568	ZLBIPFJYUNHNGO-ABAIWWIYSA-N	280.368	1.118	10	20	CDCD	
NCC[C@H]1CCCCN1Cc1cc2c(cc1O)OCO2	843123867	QVVRARIZDCDNMS-GFCCVEGCSA-N	278.352	1.824	10	20	CDCD	
CCOCCOCCCC(=O)NCc1ccc(O)cc1O	910942529	DLLFGDAXFXMMJB-UHFFFAOYSA-N	297.351	1.547	10	20	CDCD	
CCC[C@@H](C)N(C)C(=O)C(=O)Nc1ccc(N)cc1	841015161	FKEZIFUHJXINPO-SNVBAGLBSA-N	263.341	1.854	10	20	CDCD	
OC[C@H](NCc1cccc(Cl)c1O)[C@@H]1CCCOC1	840964642	ZLOMOSVIHLIYSI-YPMHNXCESA-N	285.771	1.923	10	20	CDCD	
Cc1nccn1CCNC(=O)NCCc1ccc(N)cc1	841772348	ZNFOSGVXIRIXNW-UHFFFAOYSA-N	287.367	1.316	10	20	CDCD	
C[C@@H](NC(=O)NCCc1ccc(N)cc1)[C@@H]1CCCOC1	841875088	QXZPHOFLCMBJRY-TZMCWYRMSA-N	291.395	1.926	10	20	CDCD	
CCc1cccc(CN(CCO)CCOC)c1O	848886896	XLKIDHOGLLKZEU-UHFFFAOYSA-N	253.342	1.395	10	20	CDCD	
CCN(CC)CC(=O)N[C@H](C)c1ccccc1O	827930597	MBPOURNPJVVCAE-LLVKDONJSA-N	250.342	1.911	10	20	CDCD	
Cn1cc([C@@H](CO)NCc2ccc3c(c2)CCCO3)cn1	921939322	XSVAYQJNUQKWFX-OAHLLOKOSA-N	287.363	1.568	10	20	CDCD	
COc1ccc(N(C)CCN(C)C(=O)CNC(C)C)cc1	851641062	JRCJDVMBIFGEKT-UHFFFAOYSA-N	293.411	1.588	10	20	CDCD	
CCOCCNC(=S)NCc1ccc(N(C)C)cc1	750981035	LQYHMGOIBXPLHD-UHFFFAOYSA-N	281.425	1.753	10	20	CDCD	
CCn1cc(CN[C@@H](C)c2cccc(OC)c2O)nn1	850522762	ZRHAASIHOBEBHP-JTQLQIEISA-N	276.340	1.863	10	20	CDCD	
CCN(CC)c1ccc(CN(C)C(=O)CNC(C)=O)cc1	752762505	SWZFLBHEJMFDFG-UHFFFAOYSA-N	291.395	1.627	10	20	CDCD	
CN(C)c1cc(F)c(CN[C@@H](CO)CCF)cc1F	858183571	HZPCUIDPRBCZCU-SNVBAGLBSA-N	276.302	1.841	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)CCc1cn[nH]c1	935945829	MGDQZTVIHVJUKY-UHFFFAOYSA-N	294.351	1.850	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)C[C@](C)(O)C2CC2)c1	862758065	NNCBFACHHCPSIY-HNNXBMFYSA-N	263.337	1.868	10	20	CDCD	
COc1ccc(CNC(=O)CCc2cn[nH]c2)c(O)c1	863912399	KXWQIGOOSKLURS-UHFFFAOYSA-N	275.308	1.373	10	20	CDCD	
Cc1ccc(CN(C)CC(=O)N2CCCC2)c(O)c1	876552605	WXAMKQTXCPXFLG-UHFFFAOYSA-N	262.353	1.755	10	20	CDCD	
Cc1ccc(CN2CCS(=O)(=O)[C@@H](C)[C@H]2C)c(O)c1	876753931	KSDWEOWWWIMPPR-NEPJUHHUSA-N	283.393	1.708	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@@]1(N)CC1(F)F	870868119	VKSAVBCFDUZSLC-NSHDSACASA-N	256.252	1.087	10	20	CDCD	
O=C(NCc1ccc(N2CCOCC2)cc1)N1CC=CC1	875140341	ASMLKVSTEWQKHH-UHFFFAOYSA-N	287.363	1.605	10	20	CDCD	
CCCN(CC(=O)OC)Cc1c(O)cccc1OC	771935757	VGYGBQIXRICULJ-UHFFFAOYSA-N	267.325	1.786	10	20	CDCD	
Cc1cc(NC(=O)/C=C\c2ccc(O)c(O)c2)nn1C	779533350	DPHFGXJUFMZYTC-XQRVVYSFSA-N	273.292	1.792	10	20	CDCD	
CC(C)[C@@H](CO)NC(=O)NCc1ccc(N)cc1	1120591562	ARMLTBQSZXCLHU-GFCCVEGCSA-N	251.330	1.085	10	20	CDCD	
O=C1CC[C@H]2CN(Cc3cc(F)cc(F)c3O)CC[C@@H]2N1	895258301	BYOWZGUFJOJEPU-ZANVPECISA-N	296.317	1.771	10	20	CDCD	
COc1ccc(CNC(=O)NC[C@H](C)SC)c(O)c1	793013081	OJPMOJGMYYTGNY-VIFPVBQESA-N	284.381	1.952	10	20	CDCD	
CN(C)C(=O)CCCOC(=O)c1cc(O)cs1	795405141	URQJONBFTBLKPN-UHFFFAOYSA-N	257.311	1.479	10	20	CDCD	
COc1ccc(CNC(=O)NOC[C@@H]2CCOC2)c(O)c1	793072928	FFWISFZSODRAJT-SNVBAGLBSA-N	296.323	1.168	10	20	CDCD	
COc1ccc(CNC(=O)[C@@H](O)CCSC)c(O)c1	794386809	BLYUYZVSKHWMTN-NSHDSACASA-N	285.365	1.131	10	20	CDCD	
CCOc1cc(NCCc2ccc(O)c(O)c2)ncn1	136056271	FJEALEPZRPKIRS-UHFFFAOYSA-N	275.308	1.941	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1C(=O)NC2(CC2)C1=O	1326366558	SPZXLBAOSMJWNS-UHFFFAOYSA-N	273.336	1.645	10	20	CDCD	
COc1ccccc1N1CCN(C(=O)CN=[N+]=[N-])CC1	585143481	ZZTHTLPJNZPXLT-UHFFFAOYSA-N	275.312	1.654	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)C(=O)NC1CCCCC1	1325319946	LYKJTWRFLQGCBG-UHFFFAOYSA-N	290.363	1.800	10	20	CDCD	
O=C(O)[C@@H](O)CCNCc1c(O)ccc(Cl)c1F	1334845591	XZNPVVTUKDSHNY-VIFPVBQESA-N	277.679	1.110	10	20	CDCD	
CCCOc1ccc(CN[C@@H](C(=O)O)[C@H](C)O)cc1C	1332017287	JQXZKLHLRMBAJT-SMDDNHRTSA-N	281.352	1.707	10	20	CDCD	
CC1(C)C[C@](C)(NC(=O)NCc2ccccc2O)C(=O)O1	1351983276	LCTJNPXJTSWCCE-HNNXBMFYSA-N	292.335	1.676	10	20	CDCD	
O=C(O)c1cccc(NCCc2ccc(O)c(O)c2)n1	1606517116	BOISFJDKZKOTQA-UHFFFAOYSA-N	274.276	1.846	10	20	CDCD	
C[C@@H](CN(C)C(=O)/C=C/c1ccc(O)c(O)c1)C(=O)O	1589019581	MSVBXEJXCHYEEI-DNQSNQRASA-N	279.292	1.290	10	20	CDCD	
COc1ccc(CNc2nc(C)cc(C(=O)O)n2)c(O)c1	1599574327	DOZHBFSIFFIYJD-UHFFFAOYSA-N	289.291	1.810	10	20	CDCD	
CN1CCC[C@@H]2CN(C(=O)Cc3ccc(N)cc3)CC[C@@H]21	166513848	QNLADLBAYLKDCT-ZBFHGGJFSA-N	287.407	1.754	10	20	CDCD	
CCNC(=O)CNCc1ccc(N(CC)CC)c(F)c1	152032397	ZTOQUVQGCXKLPX-UHFFFAOYSA-N	281.375	1.898	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)Cc1cnnn1C	155176765	BLUUYYMNASORNK-UHFFFAOYSA-N	259.357	1.513	10	20	CDCD	
C[C@H](NCc1ccc2c(c1)CCCO2)c1ncn(C)n1	922034703	NTVLZDYOFJSJCM-NSHDSACASA-N	272.352	1.991	10	20	CDCD	
Oc1c(Cl)cccc1CN1CCN([C@@H]2CCOC2)CC1	827119515	MQVGQIQFVAFWKD-CYBMUJFWSA-N	296.798	1.952	10	20	CDCD	
CC[C@H](NCCS(=O)(=O)N(C)C)c1ccccc1O	230994407	ALJZEBKHFIXTGK-LBPRGKRZSA-N	286.397	1.324	10	20	CDCD	
c1nc(CNCc2ccc(N3CCOCC3)cc2)co1	236600126	LKKSLWZSUUMMSS-UHFFFAOYSA-N	273.336	1.801	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2cnns2)c1	114543552	DWAMEJJJWPGTNP-UHFFFAOYSA-N	265.294	1.182	10	20	CDCD	
CCCCOCC(=O)NCc1cccc(OC)c1O	118495431	KONLBNOHUKNXMA-UHFFFAOYSA-N	267.325	1.834	10	20	CDCD	
CN1CC[C@H](N2CCOc3cc(N(C)C)ccc32)C1=O	120331135	UHPSEGILPKGKFR-ZDUSSCGKSA-N	275.352	1.182	10	20	CDCD	
CC(=O)OC(C)(C)C(=O)N(C)c1ccc(N)cc1	1357946000	TZLMBZSCJZHHJK-UHFFFAOYSA-N	250.298	1.573	10	20	CDCD	
Cc1ccc(C(=O)N(C)C2(C(N)=O)CCCC2)c(O)c1O	182909535	CUUAIGAIHVMNCC-UHFFFAOYSA-N	292.335	1.276	10	20	CDCD	
Cc1ccc(O)c(CNC[C@H]2CCCS2(=O)=O)c1	126937204	XVUMUYFSUBPZGZ-GFCCVEGCSA-N	269.366	1.367	10	20	CDCD	
O=C(Cc1ccoc1)NCCc1ccc(O)c(O)c1	184960084	NHCCJAIZYUSJQF-UHFFFAOYSA-N	261.277	1.592	10	20	CDCD	
CC(C)[C@@H](C(=O)N(C)Cc1ccccc1O)N(C)C	130671876	PCWHEGVHPZVWAH-AWEZNQCLSA-N	264.369	1.937	10	20	CDCD	
CC1(CNCc2cc3c(cc2O)OCO3)COC1	83523117	IHBXRCSCWCYHIC-UHFFFAOYSA-N	251.282	1.247	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N2CCCNCC2)cc1	841654576	NGJGBWKEHFVTRH-UHFFFAOYSA-N	276.384	1.258	10	20	CDCD	
Cc1ccc(O)c(CN2C[C@@](C)(CO)[C@@](C)(CO)C2)c1	529668019	DQNYRCPTIFINQA-IYBDPMFKSA-N	279.380	1.513	10	20	CDCD	
COc1cccc(CN2CC[C@@H](O)[C@H](C)C2)c1O	249966113	KBDGFZSFEUCXGX-ZYHUDNBSSA-N	251.326	1.604	10	20	CDCD	
COc1ccc(O)c(CN2CCOC[C@@H]2c2ncon2)c1	369840429	LXZPKYADZJXDDW-GFCCVEGCSA-N	291.307	1.357	10	20	CDCD	
CCS(=O)(=O)CCN[C@@H](C)c1cc(C)ccc1O	185330775	NGTNCYQQOXWUOU-NSHDSACASA-N	271.382	1.786	10	20	CDCD	
Cc1cc(O)c(CN[C@H](C)C(=O)NCCF)cc1C	282535329	BSYBBCWXKJRYKW-LLVKDONJSA-N	268.332	1.573	10	20	CDCD	
COc1ccc(O)c([C@H](C)NCCN2CCC(O)CC2)c1	294775168	GHTSTOSKCVPJOS-LBPRGKRZSA-N	294.395	1.508	10	20	CDCD	
CC(=O)C(=O)CS[C@H](C)[C@@H](C)SCC(=O)C(C)=O	808033062	GIIYVQCYYGYOCL-NXEZZACHSA-N	290.406	1.546	10	20	CDCD	
CN(C)CCN(C)Cc1ccc(N2CCOCC2)c(F)c1	809729958	UTFUEXNQOHXLLG-UHFFFAOYSA-N	295.402	1.656	10	20	CDCD	
CC(=O)CCC(=O)NCc1ccc(N2CCOCC2)cc1	299214637	HRWHKRSLBHKEOT-UHFFFAOYSA-N	290.363	1.509	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cncc(O)c1	803089434	AGAWCCMQCGCAMK-VIFPVBQESA-N	288.303	1.559	10	20	CDCD	
COc1cc(Cl)cc(CNC/C=C/CO)c1O	717524651	HKAHBMNVZMCYQH-NSCUHMNNSA-N	257.717	1.692	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)[C@@H](O)C(C)(C)O	901051191	AHCDUAFDFFIWKK-CYBMUJFWSA-N	281.352	1.263	10	20	CDCD	
COC[C@@](C)(CC(=O)O)NCc1ccc(OC)c(C)c1	901795616	OSVYSFZRHZYJNJ-OAHLLOKOSA-N	281.352	1.973	10	20	CDCD	
CC(C)n1ccc(CC(=O)NCCc2ccc(N)cc2)n1	832659217	UHRUZTRVKADCSO-UHFFFAOYSA-N	286.379	1.948	10	20	CDCD	
COc1ccc(CNC(=O)[C@@H]2CCCC[C@@]2(C)N)c(O)c1	832178881	YSXBOOQKIZZABT-XJKSGUPXSA-N	292.379	1.925	10	20	CDCD	
C[C@@H](CNC(=O)Cc1ccc(N)cc1)N1CCCCC1=O	832166051	GXPCXFVBIDQNSJ-LBPRGKRZSA-N	289.379	1.329	10	20	CDCD	
CCC[C@@H](CNC(=O)c1c(F)ccc(O)c1O)OC	833369541	BVWYHGQZCDKLHF-QMMMGPOBSA-N	271.288	1.782	10	20	CDCD	
O=C(/C=C\C1CCOCC1)NCc1ccc(O)cc1O	910953772	DORYHFSIXJVTIX-RJRFIUFISA-N	277.320	1.697	10	20	CDCD	
COC(=O)[C@H]1CCN(C(=O)c2c(F)ccc(O)c2O)[C@@H]1C	830082749	QFYHVPYQICZSGL-SFYZADRCSA-N	297.282	1.261	10	20	CDCD	
CCn1ccnc1[C@@H](C)NC(=O)c1cccc(O)c1O	836945844	DJPKJDUZNNBCCJ-SECBINFHSA-N	275.308	1.805	10	20	CDCD	
CCNC(=O)C(C)(C)NCc1ccc(OCC)cc1O	835076771	VHZHSKPVHVCWMU-UHFFFAOYSA-N	280.368	1.795	10	20	CDCD	
Cc1ccn(C[C@@H](C)C(=O)NCc2ccc(O)cc2O)n1	910958074	WDFSQTHAJUPYBU-SNVBAGLBSA-N	289.335	1.555	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNCCC[S@@](C)=O	840934688	VPRVVWQZCQBYAG-GOSISDBHSA-N	268.426	1.919	10	20	CDCD	
CN(C(=O)c1cnn2c1[C@H](CN)CCC2)c1ccccc1	592478098	WJPKTIIDOAOBLP-LBPRGKRZSA-N	284.363	1.996	10	20	CDCD	
CSC[C@@H](O)CN(C)c1ccc(OCC(=O)O)cc1	846280519	ZQSCTJIPUWNOOI-NSHDSACASA-N	285.365	1.310	10	20	CDCD	
C[C@@H]1OCC[C@H]1NC[C@@H](N)c1ccc(N(C)C)cc1	841045715	OTJMIFVVWQPSAE-NILFDRSVSA-N	263.385	1.519	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1[C@H]2CNC[C@H]21	844186677	OJDDJFYZARXTGD-FICVDOATSA-N	273.380	1.143	10	20	CDCD	
COC/C(C)=C/C(=O)NCc1cc(OC)ccc1O	845833174	DELIOYHBOPDSHQ-UXBLZVDNSA-N	265.309	1.610	10	20	CDCD	
CNC(=O)CN(C)Cc1cc(OC)cc(C(C)(C)C)c1O	916567675	GYAUZZBHCKBAHB-UHFFFAOYSA-N	294.395	1.876	10	20	CDCD	
CCOc1ccc(O)c(CN2CCNC[C@H]2C)c1	843048058	KYWMJDHATAHGPD-LLVKDONJSA-N	250.342	1.585	10	20	CDCD	
COc1ccc(O)c(CNCC[C@]2(O)CCCOC2)c1	846107353	HUFAHGKSHKJXCX-OAHLLOKOSA-N	281.352	1.422	10	20	CDCD	
CCC[C@H](O)[C@H](CO)NCc1ccc(OC)c(C)c1	842226186	MBXMLTSWEIHOGT-KBPBESRZSA-N	267.369	1.615	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H]1C[C@H]2CC[C@@H]1O2	846431910	UGQXSBGGNSOWRA-NYEBFKQPSA-N	275.304	1.547	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNCCN1CCCC1=O	846087968	VWOOBZKEIDVWNN-UHFFFAOYSA-N	275.396	1.773	10	20	CDCD	
O=C(NCc1ccccc1O)NC[C@@H](C(=O)O)C1CCC1	854234405	FVYMBOMLPUODKW-GFCCVEGCSA-N	292.335	1.692	10	20	CDCD	
CCCNC(=O)CCNCc1ccc(C)cc1O	876956848	PBWNPNDVJZMIHX-UHFFFAOYSA-N	250.342	1.707	10	20	CDCD	
Cc1ccc(C(=O)N2CC(O)(C(C)C)C2)c(O)c1O	765567317	STFAADBMULTEOW-UHFFFAOYSA-N	265.309	1.249	10	20	CDCD	
CN(C)c1ccc(CNC(=O)C(=O)N2CC=CCC2)cc1	1116976183	NUONLNZACGVPKU-UHFFFAOYSA-N	287.363	1.157	10	20	CDCD	
Cc1cccc(O)c1CN[C@H]1CC(=O)N(C2CC2)C1	877158830	YZWZFMSYJJWGMU-NSHDSACASA-N	260.337	1.554	10	20	CDCD	
CC(C)[C@@H](CN(C)C)NC(=O)/C=C\c1ccc(O)c(O)c1	779522998	XTNGYLWQKJBLMA-FWPCIQOSSA-N	292.379	1.813	10	20	CDCD	
Cc1ccc(CNCCN2CCO[C@@H](C)C2)c(O)c1	877021180	RTIMMUSAUNQONO-ZDUSSCGKSA-N	264.369	1.511	10	20	CDCD	
C[C@H]1C[C@@H](C)N(C(=O)C(=O)N(C)Cc2ccccc2O)C1	1117879961	VPKJQARJCVYTAG-NWDGAFQWSA-N	290.363	1.608	10	20	CDCD	
CN(CCN1CCCC1)C(=O)/C=C\c1ccc(O)c(O)c1	779485225	ZONZYFQNHQHECA-ALCCZGGFSA-N	290.363	1.665	10	20	CDCD	
Cc1c(CCC(=O)NCc2ccc(N)cc2)cnn1C	1122535776	HOZZHHSQJMRGBH-UHFFFAOYSA-N	272.352	1.560	10	20	CDCD	
CCOc1cccc(CN2CCC(CO)(OC)CC2)c1O	775205221	QYOVTFKTSNEJAY-UHFFFAOYSA-N	295.379	1.764	10	20	CDCD	
Nc1ccc(CN2CCC[C@@H](C(=O)NC3CC3)C2)cc1	1120262646	BVOLDWWSVMHXMC-CYBMUJFWSA-N	273.380	1.759	10	20	CDCD	
C[C@H](O)C[C@H](C)NC(=O)/C=C\c1ccc(O)c(O)c1	783628138	LWKDOSKCQJKGGJ-SBXZVLJPSA-N	265.309	1.387	10	20	CDCD	
COc1cc(C)cc(CNCC(C)(C)OCCO)c1O	894785952	AZVHAJJGBNHIPH-UHFFFAOYSA-N	283.368	1.586	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NC[C@H]2C[C@H](N)C2)cc1F	891456866	UEMHMGFYIQQQJP-HAQNSBGRSA-N	294.374	1.428	10	20	CDCD	
O=C(CC[C@@H]1CCOC1)OCC(=O)c1ccc(O)c(O)c1	784047655	JRKOHYVRPPRDRX-SNVBAGLBSA-N	294.303	1.640	10	20	CDCD	
COc1cc(C)cc(CN2C[C@H](O)C[C@@H]2C)c1O	894538343	JUJABSXTXCVHCO-CMPLNLGQSA-N	251.326	1.664	10	20	CDCD	
COc1cccc(O)c1CNC[C@@H]1CCCN(C(C)=O)C1	793286098	OORNQOSNCHBHIN-ZDUSSCGKSA-N	292.379	1.749	10	20	CDCD	
COC(=O)/C=C/c1ccc(N(C)CC(=O)O)c([N+](=O)[O-])c1	794408331	CHUDUQKIOOWQRJ-GQCTYLIASA-N	294.263	1.302	10	20	CDCD	
CC(C)CN1CCC[C@@H]1C(=O)NCc1ccc(O)cc1O	1335951681	KAHIVOUWVRZPRZ-CQSZACIVSA-N	292.379	1.834	10	20	CDCD	
Nc1ccc(CN2CCC[C@H](n3ccnn3)C2)cc1	1352789377	JYDHWMMFIIVKKF-AWEZNQCLSA-N	257.341	1.697	10	20	CDCD	
O=C(O)C1=CC[C@@H](NCc2cccc(F)c2O)C1	1601739742	BDMHECSXPOVMCW-SNVBAGLBSA-N	251.257	1.794	10	20	CDCD	
C[C@H](NC[C@H]1CCOC1)c1cc(C(=O)O)ccc1O	1604339336	XIHYBTBTSXPLTF-VHSXEESVSA-N	265.309	1.778	10	20	CDCD	
Oc1cccc(F)c1CN=c1cc[nH]cc1-c1nn[nH]n1	1593539582	ATGSZMPJWOPWIY-UHFFFAOYSA-N	286.270	1.140	10	20	CDCD	
Cc1ccc(O)c(CN(C2CC2)[C@@H]2CCS(=O)(=O)C2)c1	157076302	KMOULMAKMVJMES-CQSZACIVSA-N	295.404	1.852	10	20	CDCD	
C[C@@H](NC(=O)[C@@H]1CC(=O)N(C)C1)c1ccccc1O	827923288	NZXALKUWXACGGH-NXEZZACHSA-N	262.309	1.048	10	20	CDCD	
CN(CC1CCOCC1)C(=O)Cc1ccc(N)cc1	111153399	PUQSUMYDTSZDNW-UHFFFAOYSA-N	262.353	1.696	10	20	CDCD	
C[C@@H](NCCCS(C)(=O)=O)c1ccc(N(C)C)cc1	38047621	HKOJVSNUPLDBCX-GFCCVEGCSA-N	284.425	1.838	10	20	CDCD	
CCN(C)C(=O)[C@H](C)N[C@H]1CCc2cccc(O)c21	296243938	AXIHOWWINNCHOU-JQWIXIFHSA-N	262.353	1.836	10	20	CDCD	
CCCN(Cc1cc(OC)ccc1O)[C@H]1CCNC1	71314833	OVAIDFZMECXCAT-ZDUSSCGKSA-N	264.369	1.975	10	20	CDCD	
CCN(C)C(=O)[C@H](C)NCc1cc(F)cc(F)c1O	708516498	IWCBXXANJIABRP-QMMMGPOBSA-N	272.295	1.627	10	20	CDCD	
CCc1cccc(CNC(C)(C)CS(C)(=O)=O)c1O	691457012	YGQZBKAESJLABA-UHFFFAOYSA-N	285.409	1.867	10	20	CDCD	
CCOc1cccc(CN2CC[C@H]3NCC[C@H]3C2)c1O	380709670	IBMJFCOEVGXBCD-GXTWGEPZSA-N	276.380	1.975	10	20	CDCD	
COc1ccc(O)c([C@H](C)NCCS(=O)(=O)C2CC2)c1	840885477	XAEJPBXZXRAVRI-JTQLQIEISA-N	299.392	1.629	10	20	CDCD	
C[C@@H]1OCC[C@@]1(O)CN[C@@H]1CCc2cccc(O)c21	311954025	YGLJHKFYIOADAE-JVLSTEMRSA-N	263.337	1.509	10	20	CDCD	
C[C@H](N[C@@H]1CCC(=O)N(C)C1)c1ccc(F)c(F)c1O	187728392	JUUZJQWGKCPLSG-DTWKUNHWSA-N	284.306	1.942	10	20	CDCD	
COc1cc(O)c(CN2CCNC(=O)C2(C)C)cc1OC	180050904	DCVHTRFLELDFTQ-UHFFFAOYSA-N	294.351	1.120	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)c1ccc(F)cn1	183655030	RHUWIYIWNAPULG-UHFFFAOYSA-N	262.240	1.562	10	20	CDCD	
O=C(O)CCCNCc1cc2c(cc1O)OCO2	42880131	CENRZMAVJQRGAC-UHFFFAOYSA-N	253.254	1.075	10	20	CDCD	
CN(CC(=O)N(C)C)Cc1ccc(N2CCOCC2)cc1	70758264	RJHRNWSYWRNSAR-UHFFFAOYSA-N	291.395	1.043	10	20	CDCD	
CN(C)c1ccc(CN2CCC3(C2)OCCO3)cc1F	131013065	JGVIYQGIFYHVMJ-UHFFFAOYSA-N	280.343	1.841	10	20	CDCD	
Cc1cc(C(=O)NCCCN)c(C)n1-c1ccccn1	237589033	NBUPVUAMRUNHNE-UHFFFAOYSA-N	272.352	1.568	10	20	CDCD	
CN(C)C(=O)N1CCC(C(=O)Nc2ccc(N)cc2)CC1	236998383	SLRVBPTYSJDXLH-UHFFFAOYSA-N	290.367	1.601	10	20	CDCD	
Cc1c(CNC(=O)N[C@@H]2[C@H]3COC[C@H]32)n(C)c2ccccc12	525985732	HRFAPKHFJODSLI-VIKVFOODSA-N	299.374	1.931	10	20	CDCD	
Nc1ccc(CC(=O)N[C@H]2CCCc3cn[nH]c32)cc1	262613686	CFDCDZHNJSSBQU-ZDUSSCGKSA-N	270.336	1.728	10	20	CDCD	
COC[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1	272627650	JYQGDSWOPRPIKG-PYEVWLCESA-N	277.320	1.606	10	20	CDCD	
CCCC[C@H](NC(=O)c1ccc(C)c(O)c1O)C(=O)OC	273922902	DPDSJIYZLBCJDF-NSHDSACASA-N	295.335	1.868	10	20	CDCD	
CCOC(=O)[C@H](NC(=O)c1cccc(O)c1O)[C@@H](C)CC	279361970	SUOVJPCQXYYWPI-JOYOIKCWSA-N	295.335	1.805	10	20	CDCD	
CC(=O)C(=O)COC(=O)COc1ccc(C)cc1C	808486861	ZOJIEISFLGWKBB-UHFFFAOYSA-N	264.277	1.384	10	20	CDCD	
CN(C)CC(=O)NCc1cc(Cl)cc(Cl)c1O	807839931	NAUXRFYVMBPDCQ-UHFFFAOYSA-N	277.151	1.877	10	20	CDCD	
CC(C)OC[C@H](CO)N(C)Cc1cc(F)ccc1O	809768646	RPDMGOXESLOVBR-ZDUSSCGKSA-N	271.332	1.749	10	20	CDCD	
CC[C@@H](OC)C(=O)NCc1ccc(N(C)C)c(F)c1	299317145	HLRPHKBAKJSSDP-CYBMUJFWSA-N	268.332	1.933	10	20	CDCD	
CC(=O)C(=O)CSc1nnc(-c2ccccc2F)n1C	808013565	HYPGCXJMPPHKRX-UHFFFAOYSA-N	293.323	1.871	10	20	CDCD	
C[C@@H]1C[C@H](NC(=O)N(C)Cc2ccccc2O)CO1	828419576	FPRBBZPVKDDRIO-PWSUYJOCSA-N	264.325	1.711	10	20	CDCD	
COCCOC[C@@H](O)CN(C)c1ccc(OC)c(OC)c1	827490922	DUWWUNNYKMPYOX-ZDUSSCGKSA-N	299.367	1.164	10	20	CDCD	
O=C(NCc1ccccc1O)N[C@@H]1CCN(CC2CC2)C1	731117211	XNBQFIHNMSXDRC-CQSZACIVSA-N	289.379	1.676	10	20	CDCD	
C[C@@H](O)C1(NCc2cc(Cl)cc([N+](=O)[O-])c2O)CC1	827579748	JCUWKPOBDGQEHN-SSDOTTSWSA-N	286.715	1.957	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCN([C@@H]2CCC[C@@H]2O)CC1	732289052	KCHSRGOZQXIVOT-NEPJUHHUSA-N	296.392	1.125	10	20	CDCD	
CCO[C@@H](C)C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1	832300117	MHKUMRSDOCSVQZ-SMDDNHRTSA-N	279.384	1.294	10	20	CDCD	
Cc1noc(C)c1CNC(=O)c1cc(O)cs1	731872162	ZHKYXDOUXWYDLD-UHFFFAOYSA-N	252.295	1.989	10	20	CDCD	
C[C@@]1(CNCc2cc(F)ccc2O)CCC(=O)N1	835061727	VKWDMXGUOXSUFB-ZDUSSCGKSA-N	252.289	1.290	10	20	CDCD	
Cc1nn(C)cc1C1=NO[C@H](C(=O)Nc2ccc(N)cc2)C1	911661262	SMLKROCLNGVQBI-AWEZNQCLSA-N	299.334	1.442	10	20	CDCD	
CCONC(=O)CNCc1cc(Cl)ccc1O	846088729	JYILOCICCITHSY-UHFFFAOYSA-N	258.705	1.203	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](C)CCN	841825573	AENVSSLHJXWHKO-GFCCVEGCSA-N	278.400	1.598	10	20	CDCD	
CCNCCNC(=O)NCc1ccc(N2CCCC2)cc1	841709905	PAMVFEYWMXESBN-UHFFFAOYSA-N	290.411	1.696	10	20	CDCD	
O=S(=O)(NCc1cc(Cl)ccc1O)N1CCC1	845995415	BBZVEFMPZKECIO-UHFFFAOYSA-N	276.745	1.086	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NC[C@H](N)C2CC2)cc1	841653115	HIQSXWFSFCDQPI-AWEZNQCLSA-N	276.384	1.289	10	20	CDCD	
CCOc1ccc(O)c(CNC[C@H](C)C(=O)O)c1	848637568	JGHAOBPFZPLORO-VIFPVBQESA-N	253.298	1.601	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1C[C@@H](C)O[C@@H](CO)C1	840941434	AKGNHMUXBPBKLQ-CZUORRHYSA-N	278.396	1.643	10	20	CDCD	
C[C@@H](CN)N(C)C(=O)NCc1ccc(N(C)C)c(F)c1	841758493	BREHDDWGMLJWDX-JTQLQIEISA-N	282.363	1.380	10	20	CDCD	
Cn1nc(C2CC2)nc1CC(=O)NCCc1ccc(N)cc1	843341292	AUPOKEQRDCEFDU-UHFFFAOYSA-N	299.378	1.176	10	20	CDCD	
Nc1ccc(NC(=O)C(=O)NC[C@H]2CC=CCC2)cc1	841023526	TVCBGETZEUKZCR-NSHDSACASA-N	273.336	1.680	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H]2CCN2C)c1	925410299	ZPLDNIOKEGCFBJ-QWRGUYRKSA-N	293.367	1.465	10	20	CDCD	
Nc1ccc(CCNC(=O)c2noc3c2COCC3)cc1	857845181	CIKHPUQSVJCUFT-UHFFFAOYSA-N	287.319	1.302	10	20	CDCD	
COC(=O)[C@@]1(NCc2ccc(OC)c(C)c2)CCOC1	930154270	BLOONEQRCJOJBS-OAHLLOKOSA-N	279.336	1.425	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@H](C)OC[C@@H]2CCCO2)c1	862758867	OTJSRRNHXHUBSV-JSGCOSHPSA-N	293.363	1.901	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2C[C@@H](N)C[C@@H]2C)c1O	866684443	YVFBBWXHCXSFBF-UFBFGSQYSA-N	266.316	1.655	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)Cc2nonc2C)c1	862755275	PZKGFQZGVALAJJ-UHFFFAOYSA-N	261.281	1.251	10	20	CDCD	
COC(=O)[C@H](C)NCc1cc(F)c(N(C)C)cc1F	862346345	OAECXFXSJRUYSC-QMMMGPOBSA-N	272.295	1.682	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)C(C)(C)C(N)=O)c1	768080101	MUIGLYIWTGVHLK-MRVPVSSYSA-N	280.324	1.090	10	20	CDCD	
CCN(CC)c1ccc(CN(C)S(C)(=O)=O)cc1	875930181	JAMXRADDDSUUTE-UHFFFAOYSA-N	270.398	1.924	10	20	CDCD	
CNS(=O)(=O)C1CCN(Cc2c(C)cccc2O)CC1	876723712	XUGCCCUMDIBAQQ-UHFFFAOYSA-N	298.408	1.214	10	20	CDCD	
Cc1ccc(C(=O)OCC(=O)c2ccc(O)c(O)c2)n1C	782571172	GHEZAGSHZXRQBA-UHFFFAOYSA-N	289.287	1.784	10	20	CDCD	
COc1ccc(CNCCNC(=O)[C@H]2CCOC2)cc1C	1124508828	IVVXRBAPNHRYJN-AWEZNQCLSA-N	292.379	1.246	10	20	CDCD	
Nc1ccc(CNC(=O)N2CCc3ncsc3C2)cc1	1120677107	JPKZUBAWPURKLP-UHFFFAOYSA-N	288.376	1.993	10	20	CDCD	
COc1cc(C)cc(CN2C[C@H](CO)OC[C@H]2C)c1O	894092734	AINYHHWOVOHMLZ-DGCLKSJQSA-N	281.352	1.291	10	20	CDCD	
O=C(NCc1ccoc1)c1c(F)ccc(O)c1O	789962857	ARRKTHOFYCEQDQ-UHFFFAOYSA-N	251.213	1.760	10	20	CDCD	
COc1cc(C)cc(CN(C)CC2CC(O)C2)c1O	894534695	UAIZGSJMLJSCCA-UHFFFAOYSA-N	265.353	1.912	10	20	CDCD	
CC1=CCCN(Cc2cc3c(cc2O)OC[C@H]3O)C1	797822207	MABSZLFSNKKREW-CQSZACIVSA-N	261.321	1.970	10	20	CDCD	
COc1ccc(O)c(CN[C@H](CO)CC(C)C)c1	40775110	QFUUEVHBSNTJBV-LBPRGKRZSA-N	253.342	1.897	10	20	CDCD	
C[C@H]1CCC[C@H]1NC(=O)C(=O)N(C)Cc1ccccc1O	1328664579	XYSZJEPYFIWXSZ-WCQYABFASA-N	290.363	1.655	10	20	CDCD	
Oc1c(Cl)cccc1CNC[C@]1(O)CCOC1	224918118	WDCUNUCBERXYBH-GFCCVEGCSA-N	257.717	1.287	10	20	CDCD	
Nc1ccc(CNC(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)cc1	1335686318	AJUMYZDRHNPUIW-UPJWGTAASA-N	261.325	1.388	10	20	CDCD	
CC(C)OCCCNC(=O)NCc1ccc(N)cc1	1336738004	UTEUHWXHZCWTHB-UHFFFAOYSA-N	265.357	1.883	10	20	CDCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2N[C@@H]1CCOC[C@H]1O	1330697723	LEIJAVVZKPJLEM-HKUMRIAESA-N	277.364	1.988	10	20	CDCD	
COC[C@H]1CCN(c2nnc(-c3sccc3O)n2C)C1	1262854514	NDPFQPOMTBRYTD-VIFPVBQESA-N	294.380	1.722	10	20	CDCD	
C[C@@H]1C[C@@H](C)[C@H](C(=O)NCc2cccc(O)c2O)O1	1348048505	ULHJDLHEIMPXPI-JRKPZEMJSA-N	265.309	1.528	10	20	CDCD	
O=C(O)[C@@H](NCc1ccc2c(c1)CCCO2)[C@H]1CCOC1	1355405185	IIJGCNBOYWUTSE-ZFWWWQNUSA-N	291.347	1.591	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)c1c[nH]c(C(=O)O)c1	1608452034	COTCXWYNUNHXSL-UHFFFAOYSA-N	290.275	1.097	10	20	CDCD	
C[C@@H](NCCOCCN)c1ccc(N(C)C)cc1	1576244545	LLONNMJPBZJCBZ-GFCCVEGCSA-N	251.374	1.379	10	20	CDCD	
C[C@@H](NCC1(C)COC1)c1cccc(-c2nn[nH]n2)c1O	1589976456	FUZXRINAXKWHRO-SECBINFHSA-N	289.339	1.259	10	20	CDCD	
CN(C)c1ccc(CN(CCC(=O)O)CC(=O)O)cc1	1598317956	SHYLEJNROVDQJT-UHFFFAOYSA-N	280.324	1.114	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1ncccc1O	153919354	KIWAMDCOHWAFOP-UHFFFAOYSA-N	299.330	1.892	10	20	CDCD	
CO[C@]1(CNCc2cc3c(cc2O)OCO3)CCOC1	122880225	OVZHXFUBTYLCIE-AWEZNQCLSA-N	281.308	1.016	10	20	CDCD	
CSCC[C@@H](N)C(=O)NCc1ccc(N(C)C)cc1	131114034	YELVXHLEWOKXMV-CYBMUJFWSA-N	281.425	1.449	10	20	CDCD	
COc1cc(N2CC[C@H](O)C2)c([N+](=O)[O-])cc1OC	161836039	AAJOBMGQPMBACH-QMMMGPOBSA-N	268.269	1.183	10	20	CDCD	
Cc1cccc(CN(C)[C@H](C)C[S@](C)=O)c1O	187839695	USEVQYNFGDPVQX-DIFFPNOSSA-N	255.383	1.899	10	20	CDCD	
CCN1C[C@H](N[C@@H](C)c2cc(F)ccc2O)CC1=O	391524133	DYCAOOZNDJALBJ-GXSJLCMTSA-N	266.316	1.803	10	20	CDCD	
Oc1cc2c(cc1CN1CCCOCC1)OCO2	52084587	RAMRNDFIWMAGKV-UHFFFAOYSA-N	251.282	1.343	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N2CCC[C@H]2CO)cc1F	118573260	LDICQIKTAOQBDK-LBPRGKRZSA-N	295.358	1.558	10	20	CDCD	
CCCOCC(=O)NCc1ccc(N2CCOCC2)cc1	65595739	HGLYEQURMHYCNX-UHFFFAOYSA-N	292.379	1.566	10	20	CDCD	
CC(C)(C)C(=O)CNC(=O)c1cccc(O)c1O	126164868	CFWWSZHSRYRVDG-UHFFFAOYSA-N	251.282	1.443	10	20	CDCD	
CCS(=O)(=O)N1CCN(Cc2cc(C)ccc2O)CC1	127264175	TWJPZMNFWBKZIW-UHFFFAOYSA-N	298.408	1.168	10	20	CDCD	
CCN(C)S(=O)(=O)NCc1ccc(N2CCCC2)cc1	72677327	WWRKFCPBUHMEFB-UHFFFAOYSA-N	297.424	1.573	10	20	CDCD	
Cc1ccc(C(=O)N2CCO[C@@H](C)[C@H]2C)c(O)c1O	182822120	CSCBHARSEXUQOO-ZJUUUORDSA-N	265.309	1.656	10	20	CDCD	
CCN(CC(=O)N(C)C)Cc1cc(Cl)ccc1O	133202790	SBPBTKULEKURFS-UHFFFAOYSA-N	270.760	1.956	10	20	CDCD	
CC(C)CN1CC[C@H](CNC(=O)c2cccc(O)c2O)C1	193132072	ZUHDWLQAFZBXIB-GFCCVEGCSA-N	292.379	1.806	10	20	CDCD	
COc1cccc(CN2CCS(=O)(=O)C[C@@H](C)C2)c1O	192065885	NGJIYHMTEZUWIY-NSHDSACASA-N	299.392	1.267	10	20	CDCD	
Cc1ccc([C@H](C)NC[C@H]2COCCN2)c(O)c1C	530225637	MKKAQYPDPXGSGF-STQMWFEESA-N	264.369	1.648	10	20	CDCD	
Cc1nn(C)c2c1N(C(=O)/C=C/c1cccnc1)CCO2	268110682	IHJRGCZLEFQVKD-AATRIKPKSA-N	284.319	1.562	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N2CC[C@H](CO)C2)cc1F	265895818	ZUKZWZGJPSKLSG-LBPRGKRZSA-N	295.358	1.416	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H](C)CCN(C)C)c1O	278911120	SPMIUTXEDLZMBQ-JTQLQIEISA-N	297.355	1.739	10	20	CDCD	
C[C@H](O)c1cn(C2CN(Cc3cc(F)ccc3O)C2)nn1	374798621	HQGXZFKLSNZTJT-VIFPVBQESA-N	292.314	1.233	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNC[C@@H](C)OC)c1O	278430560	TYLLKYSBEIDYQT-MRVPVSSYSA-N	270.285	1.434	10	20	CDCD	
CC[C@H](NCCS(=O)(=O)NC)c1ccc(C)cc1O	280082929	LVPFZEKWQOPVTB-LBPRGKRZSA-N	286.397	1.291	10	20	CDCD	
CO[C@@H](C)CN(C)C(=O)NCc1ccc(N(C)C)cc1	285468839	ASIOVRWGPQWWNO-LBPRGKRZSA-N	279.384	1.929	10	20	CDCD	
O=C(NCc1ccccc1O)[C@@H]1OC[C@H]2COCC[C@H]21	290323052	GURVKQBVTAUOIS-YRGRVCCFSA-N	277.320	1.060	10	20	CDCD	
CC(=O)C(=O)COC(=O)[C@@H](C)Oc1ccccc1	808486093	GGNHBRIENAUBBZ-SNVBAGLBSA-N	250.250	1.155	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NOCCC1CC1	817436884	CGUYGXUUQAUFAD-GQCTYLIASA-N	263.293	1.959	10	20	CDCD	
OC[C@]1([C@H](NCc2ccccc2O)C2CC2)CCCO1	816667103	CMRSCMJDLWFJIT-CVEARBPZSA-N	277.364	1.802	10	20	CDCD	
CCN(C)c1ccc(CN[C@@H]2C(=O)NCC[C@H]2C)cc1	815108529	YXZQBGLJRWGSMQ-DOMZBBRYSA-N	275.396	1.757	10	20	CDCD	
CCCN1C[C@@H](CNCc2cc(OC)ccc2O)CC1=O	817411539	UIZAMRHPAJNWMV-GFCCVEGCSA-N	292.379	1.749	10	20	CDCD	
Cc1cc(O)c(CN2CC[C@H](NC(N)=O)C2)cc1Cl	824943753	SESBRUVAZRNJPV-JTQLQIEISA-N	283.759	1.597	10	20	CDCD	
CCN(CCCO)c1ccc(/C=C/C(=O)O)cc1[N+](=O)[O-]	829709417	IMQJWPRIDNQIRU-FNORWQNLSA-N	294.307	1.901	10	20	CDCD	
C=CC(=O)N(CC)CC(=O)NCc1cccc(OC)c1O	901127965	QTYPEPOZMKLKRM-UHFFFAOYSA-N	292.335	1.052	10	20	CDCD	
CN(CC(=O)N(C)C1CC1)c1ccc(OCC(=O)O)cc1	833691212	LIOHWJJURKQYIT-UHFFFAOYSA-N	292.335	1.207	10	20	CDCD	
CCOC(=O)[C@@H]1CCN(C(=O)c2cc(O)cs2)C1	834869135	NNRBSBOOBNANGT-MRVPVSSYSA-N	269.322	1.479	10	20	CDCD	
C[C@H]1OCC[C@H]1C(=O)NCc1ccc(O)cc1O	910949337	JKZNODMWOMEFKB-LDYMZIIASA-N	251.282	1.139	10	20	CDCD	
C[C@@H]1C[C@H](NCc2ccc(N3CCN(C)CC3)cc2)CO1	842776743	ZMZAJQDMGUAEKW-ZBFHGGJFSA-N	289.423	1.705	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N2CCCC[C@@H]2CN)cc1	841651841	BHZCPYWJRMHTQB-OAHLLOKOSA-N	290.411	1.775	10	20	CDCD	
NC[C@H]1CC[C@H](NCc2cc3c(cc2O)OCO3)C1	841084639	MHGCIHJBUUHFCO-ONGXEEELSA-N	264.325	1.338	10	20	CDCD	
O=C(CSc1ncc(Cl)s1)N1CCOCC1	849997879	FNFFINRGMSZDNA-UHFFFAOYSA-N	278.786	1.747	10	20	CDCD	
CCS(=O)(=O)NCCSc1ncc(Cl)s1	849998467	GBYLBLYXHWQIOB-UHFFFAOYSA-N	286.831	1.828	10	20	CDCD	
C[C@@H](CC(=O)NCc1ccc(O)cc1O)n1ccnc1	910943874	PNPPTZYXGKDIPA-JTQLQIEISA-N	275.308	1.562	10	20	CDCD	
C[C@@H]1OCC[C@]1(C)NC(=O)NCCc1ccc(N)cc1	841960986	YPGFLKSUSDUYBP-NHYWBVRUSA-N	277.368	1.678	10	20	CDCD	
CN1CCN(c2ccc(CN[C@H]3CCCNC3)cc2)CC1	841043088	OWIUUHOLVCEVRB-INIZCTEOSA-N	288.439	1.280	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)NCC2CNC2)cc1	841720633	XPHFZIOVVRROQE-UHFFFAOYSA-N	290.411	1.551	10	20	CDCD	
CN(C)c1ccc([C@@H](N)CN[C@H]2CCNC2(C)C)cc1	925693852	SCXYVHKUUCZJGD-GJZGRUSLSA-N	276.428	1.483	10	20	CDCD	
C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc(O)cs1	758348402	VAOZMPPSJIPGOV-LDYMZIIASA-N	266.366	1.666	10	20	CDCD	
NC(=O)c1csc(CN[C@@H]2CCc3cccc(O)c32)n1	850540910	POZCWQDXHHHSMT-SECBINFHSA-N	289.360	1.725	10	20	CDCD	
CN(CCO)Cc1c(O)cccc1Br	862211286	GLACIQKULBIGJV-UHFFFAOYSA-N	260.131	1.579	10	20	CDCD	
C[C@@H](NC(=O)C1(O)CCOCC1)c1ccc(N(C)C)cc1	775402371	DQOBMFQDJDSSIS-GFCCVEGCSA-N	292.379	1.471	10	20	CDCD	
C[C@H](NC(=O)[C@@H]1CCNC(=O)C1)c1ccc(N(C)C)cc1	773009560	KPBRLXPSHDBMJW-WCQYABFASA-N	289.379	1.456	10	20	CDCD	
COC(=O)[C@H]1CCN(Cc2cccc(OC)c2O)[C@H]1C	787420281	FHDUIFGPWURZSU-JQWIXIFHSA-N	279.336	1.784	10	20	CDCD	
C/C=C/c1cn(CC(=O)NCc2ccc(N(C)C)cc2)nn1	881094490	KHBYFMLMVXLKPQ-SNAWJCMRSA-N	299.378	1.694	10	20	CDCD	
CN(C)c1ccc(Cn2cc(CC(C)(C)CO)nn2)cc1	881272515	YJELXLUGDGTOFJ-UHFFFAOYSA-N	288.395	1.953	10	20	CDCD	
COc1ccnc(N2CCN(Cc3ccc(N)cc3)CC2)c1	1120371102	QJDNMLPDTAVVAW-UHFFFAOYSA-N	298.390	1.995	10	20	CDCD	
C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1ncn(C)n1	781403500	ZCAQSMXQWVJYBO-OTQAPUNGSA-N	288.307	1.117	10	20	CDCD	
C[C@H](NC(=O)N1CC[C@H]1CO)c1ccc(N(C)C)cc1	894287543	VNSWFNCGALPLGQ-FZMZJTMJSA-N	277.368	1.590	10	20	CDCD	
CCN1C[C@@H](CNCc2cc(C)cc(OC)c2O)CC1=O	895148385	GSJZWDIKMZKEKA-GFCCVEGCSA-N	292.379	1.667	10	20	CDCD	
CCOC(=O)[C@H](C[C@H]1CCCO1)NCc1ccccc1O	895865021	RJBXOGSABYHWGD-KGLIPLIRSA-N	293.363	1.983	10	20	CDCD	
Cc1ccc(C(=O)OCCCC(=O)N(C)C)c(O)c1O	795374242	PEUWZXGYECOFSI-UHFFFAOYSA-N	281.308	1.431	10	20	CDCD	
CC[C@H](N[C@@H](C)C(=O)N(C)C)c1ccccc1O	36794091	MDGRUVQHHVTTLA-JQWIXIFHSA-N	250.342	1.910	10	20	CDCD	
O=C(NCc1ccccc1O)c1ccc([N+](=O)[O-])[nH]1	133934543	PQWRSGZMPMRIBQ-UHFFFAOYSA-N	261.237	1.559	10	20	CDCD	
O=C(NC[C@@H](CO)CC1CCOCC1)c1cc(O)cs1	1328620150	CZPQSWMZJJAGJM-NSHDSACASA-N	299.392	1.609	10	20	CDCD	
C[C@H](CNCc1ccc(N2CCOCC2)cc1)C(=O)O	1329152543	IRMVYOKQSKEQIO-GFCCVEGCSA-N	278.352	1.334	10	20	CDCD	
O=C(NC[C@@H]1CCCN1CCCO)c1cc(O)cs1	1334404842	JQPIEEVJIMQTFP-JTQLQIEISA-N	284.381	1.030	10	20	CDCD	
COc1ccc(CN[C@H]2CCN(C)[C@@H](C)C2)c(O)c1OC	1334964753	JLXNYFYCPDJPKY-AAEUAGOBSA-N	294.395	1.982	10	20	CDCD	
CN(C)[C@@H]1CCCN(Cc2cc3c(cc2O)OCO3)C1	96810797	SVBZNHSNKIAPKD-GFCCVEGCSA-N	278.352	1.647	10	20	CDCD	
CC(C)(NCc1ccc(N)cc1)C(=O)N1CCCC1	1262487723	CDSOATBUJWMGDX-UHFFFAOYSA-N	261.369	1.759	10	20	CDCD	
O=C(O)[C@H](CCO)NCc1ccc(N2CCCCC2)cc1	1353952177	GFYHGTVLJORIJN-HNNXBMFYSA-N	292.379	1.602	10	20	CDCD	
O=C(O)/C=C/c1ccc(N2CC[C@@H]2CO)c([N+](=O)[O-])c1	1601881172	ORDGCTMMYYBBFV-XCRNYIDWSA-N	278.264	1.264	10	20	CDCD	
O=C(O)C[C@]1(NCc2cc(F)ccc2O)CCCOC1	1601936506	VOBSBYPHLFNSSO-CQSZACIVSA-N	283.299	1.645	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)c1ccc(C(=O)O)[nH]1	1574559454	FYVHAOULQPWRKO-UHFFFAOYSA-N	274.276	1.691	10	20	CDCD	
COc1ccc(/C=C\C(=O)O)cc1OCC(=O)C(C)=O	1599544279	GXVBIXMSZRJOBF-XQRVVYSFSA-N	278.260	1.330	10	20	CDCD	
COCCOC[C@H](C)N[C@H](C)c1cc(C(=O)O)ccc1O	1599248924	ACNPNDIFBDOXKR-WDEREUQCSA-N	297.351	1.793	10	20	CDCD	
CN(C)c1ccc(CN2CCC(CC(N)=O)CC2)cc1	159714563	WPAKCXWJIOUDSW-UHFFFAOYSA-N	275.396	1.840	10	20	CDCD	
CCn1ncc(CN[C@H](C)c2cc(OC)ccc2O)n1	845971099	HAUXDXLHSLGNNL-SNVBAGLBSA-N	276.340	1.863	10	20	CDCD	
O=C1NCCC[C@@H]1CNCc1ccc2c(c1)CCCO2	922180588	JDYQSIQUYOKAKO-CQSZACIVSA-N	274.364	1.627	10	20	CDCD	
Cc1nsc(NCCc2ccc(O)c(O)c2)n1	271444946	XWTJJBDFRGMTEM-UHFFFAOYSA-N	251.311	1.912	10	20	CDCD	
CCN(CCS(C)(=O)=O)Cc1ccccc1O	179583122	VZOYSAKQPAIINY-UHFFFAOYSA-N	257.355	1.259	10	20	CDCD	
CN(Cc1cc(F)cc(F)c1O)[C@H]1CCS(=O)(=O)C1	708421354	FBLSJYHDROLODT-JTQLQIEISA-N	291.319	1.289	10	20	CDCD	
CCN1C[C@@H](NCc2cc(Cl)ccc2O)CC1=O	391571078	UTXJEMAUPAQGCK-NSHDSACASA-N	268.744	1.756	10	20	CDCD	
CCc1cccc(CNCC2(CO)COC2)c1O	717585671	ZTYRMKXANWEASO-UHFFFAOYSA-N	251.326	1.053	10	20	CDCD	
C[S@@](=O)CCNCc1ccc2c(c1)CCCO2	921751141	DUNQSLJDFVWKNA-QGZVFWFLSA-N	253.367	1.480	10	20	CDCD	
C[C@@H](NC(=O)C1=NN(C)C(=O)CC1)c1ccccc1O	827923743	YYLANWSZKKOXIL-SECBINFHSA-N	275.308	1.178	10	20	CDCD	
CC[C@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc(C)c(O)c1O	177677068	OMZHSFGPVCHSAH-VHSXEESVSA-N	294.351	1.439	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCOC2)c1	103529157	TXEHFDQBSYKDJI-VHSXEESVSA-N	265.309	1.615	10	20	CDCD	
CCC[C@H]1C(=O)NCCN1Cc1cc(C)cc(OC)c1O	128939664	AUBQLXJZJGDADF-ZDUSSCGKSA-N	292.379	1.810	10	20	CDCD	
CN1CCCc2cc(CNC(=O)CCn3cccn3)ccc21	123956601	FGUSETYMGUFRBN-UHFFFAOYSA-N	298.390	1.972	10	20	CDCD	
O=C(Nc1ccc(-n2cncn2)cc1)c1cccc(O)c1O	188126956	AHSJFTTUQBOYEY-UHFFFAOYSA-N	296.286	1.931	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H](C)CN2CCCC2=O)c(O)c1O	182148984	BGCJHICZZPRGME-JTQLQIEISA-N	292.335	1.147	10	20	CDCD	
Nc1cccc2c1CCN(C(=O)c1cccc(O)c1O)C2	126684973	ZPWWNTLVVFEYES-UHFFFAOYSA-N	284.315	1.879	10	20	CDCD	
Cc1ccc(O)c(CN2CCN(CC(C)(C)O)C[C@@H]2C)c1	188747249	IHXUCYMHJGJQSH-AWEZNQCLSA-N	292.423	1.978	10	20	CDCD	
C[C@H](O)C[C@@H](C)CNC(=O)/C=C/c1ccc(O)c(O)c1	180804112	VEUUHUILBFUFPW-MRUFAENASA-N	279.336	1.634	10	20	CDCD	
CCOc1cccc(CNCC2(C(=O)OC)CC2)c1O	188680598	JTNGUXQPXIBHKP-UHFFFAOYSA-N	279.336	1.834	10	20	CDCD	
CO[C@H](C)C(=O)NCCCSc1nccs1	74136503	MUHIWPRRFKQETJ-MRVPVSSYSA-N	260.384	1.776	10	20	CDCD	
COCC[C@@](C)(O)CN[C@@H](C)c1ccccc1O	183516228	ABVFVJWWPODVMB-SMDDNHRTSA-N	253.342	1.830	10	20	CDCD	
O=C(NCCCCO)NCc1ccc(N2CCCC2)cc1	194260975	NNLNZSDNJHWLRI-UHFFFAOYSA-N	291.395	1.859	10	20	CDCD	
CC[C@@H](O)CC(=O)N1CCOc2cc(N(C)C)ccc21	332734421	UBVDOUZJYRPAPA-GFCCVEGCSA-N	278.352	1.639	10	20	CDCD	
COCCN1CC[C@@H](N[C@H]2CCc3cccc(O)c32)C1	297933696	XTNNISBDQUVVSW-KGLIPLIRSA-N	276.380	1.690	10	20	CDCD	
C[C@@H](CCS(C)(=O)=O)N[C@@H](C)c1ccccc1O	183565642	ISSFAFQMLVUMDI-QWRGUYRKSA-N	271.382	1.866	10	20	CDCD	
CCN(CCC(=O)OC)C(=O)c1ccc(C)c(O)c1O	271294972	RAINKOWVVWOQAW-UHFFFAOYSA-N	281.308	1.431	10	20	CDCD	
O=C(C[C@@H]1CCCC[C@H]1O)NCc1ccccc1O	283462878	OPDHALRCDREPTG-WCQYABFASA-N	263.337	1.950	10	20	CDCD	
COCC[C@H](CO)N[C@H](C)c1ccc(C)cc1O	281521632	HSYNYGMXYILUEQ-VXGBXAGGSA-N	253.342	1.749	10	20	CDCD	
CC(C)[C@]1(CO)CCN(Cc2cc3c(cc2O)OCO3)C1	378133044	RFYSEANAJWDEPD-MRXNPFEDSA-N	293.363	1.961	10	20	CDCD	
C[C@H](NC(=O)c1cccc(O)c1O)c1noc(C(F)F)n1	819573533	QRNHGXXSNXJSFC-YFKPBYRVSA-N	299.233	1.909	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N1CCO[C@@H]2C[C@@H]21	816900415	NNFWNCLDRSARBV-YXSRJELQSA-N	261.277	1.111	10	20	CDCD	
CC1(C)CS(=O)(=O)CCN1Cc1ccccc1O	813331920	RYNISDSTDNPZID-UHFFFAOYSA-N	269.366	1.401	10	20	CDCD	
CN(CC(=O)N(C)Cc1ccc(N(C)C)cc1)CC(F)F	729543715	NZODJJIZNBTVST-UHFFFAOYSA-N	299.365	1.908	10	20	CDCD	
O=C1NC(=O)[C@H]2CN(Cc3ccc4ccccc4c3O)C[C@@H]12	824896978	IXMCIKXLWOXNQR-OKILXGFUSA-N	296.326	1.250	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCC[C@@H](C2OCCO2)C1	732281849	CJJPRAOCSFCXLU-SECBINFHSA-N	283.349	1.679	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)NCCN	841923038	VDFFYKNSXXCGLQ-UHFFFAOYSA-N	251.330	1.273	10	20	CDCD	
Cc1cccc(CN2CCN([C@H]3CCNC3)CC2)c1O	843125133	XBUMVCYQQUBUIK-HNNXBMFYSA-N	275.396	1.180	10	20	CDCD	
O=[N+]([O-])c1cc(Cl)cc(CN[C@@H]2CCCNC2)c1O	841041684	DVDMQZIYQUXLQC-SNVBAGLBSA-N	285.731	1.795	10	20	CDCD	
COc1cccc([C@H](C)NC[C@H]2CN(C)CCN2C)c1O	846146647	RTLRMCAUKUKLPZ-STQMWFEESA-N	293.411	1.297	10	20	CDCD	
COc1ccc(N(C)CCN(C)Cn2cnnc2)cc1	844726839	YBODHFJYCUCDMN-UHFFFAOYSA-N	275.356	1.312	10	20	CDCD	
Cc1ccc([C@H](C)NC[C@@H](O)Cn2ccnn2)c(O)c1C	840804316	CUXHRDALANEPDQ-QWHCGFSZSA-N	290.367	1.312	10	20	CDCD	
COc1cccc([C@H](C)NCCn2ccnc2)c1O	846138608	WTGUEZXKSXHJGO-NSHDSACASA-N	261.325	1.948	10	20	CDCD	
CCC(=O)N[C@@H](C)C(=O)N(C)Cc1ccccc1O	920455134	NQBIJEWQRKCCSS-JTQLQIEISA-N	264.325	1.265	10	20	CDCD	
C[C@H]1C[C@H](C(=O)NCCc2ccc(O)c(O)c2)CCO1	272122318	ZZMNZCSWYVQZIJ-CMPLNLGQSA-N	279.336	1.572	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C[C@H]1CCC(=O)O1	851881405	LFKBJDYRNNAIIS-GFCCVEGCSA-N	276.336	1.657	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NC[C@H]2C[C@@H](O)C2)cc1	863508782	LCLGVTTYMGHGJB-XBXGTLAGSA-N	277.368	1.323	10	20	CDCD	
CN(C)c1cc(F)c(CN2C[C@H]3C[C@]3(CO)C2)cc1F	862336594	JCNWKBHYRXMXIT-IAQYHMDHSA-N	282.334	1.845	10	20	CDCD	
COC(=O)C[C@]1(NCc2cc(C)ccc2O)CCOC1	766470208	PSVBCNNPTOAPFL-OAHLLOKOSA-N	279.336	1.512	10	20	CDCD	
CN1CCN(Cc2ccc(N3CCCC3)cc2)[C@@H](CO)C1	1119246911	LCRJHCLJEWMVHE-QGZVFWFLSA-N	289.423	1.395	10	20	CDCD	
CCO[C@@H]1C[C@H](NCc2ccc(C)cc2O)[C@@H]1OC	877352445	YHMPIDOPORHYFV-CFVMTHIKSA-N	265.353	1.983	10	20	CDCD	
COCCN(CCC(=O)OC)Cc1cc(F)ccc1O	779021543	UEQGPFGTTRFZRB-UHFFFAOYSA-N	285.315	1.543	10	20	CDCD	
COc1cccc([C@H](C)NC[C@H]2C[C@H](O)C2)c1O	872126168	JAEVMPDZCKQXCQ-DCAQKATOSA-N	251.326	1.822	10	20	CDCD	
CCc1cccc(CN2CCSC[C@H]2CO)c1O	877780609	WHVMXXHKFDZHHC-CYBMUJFWSA-N	267.394	1.864	10	20	CDCD	
COc1ncc(/C=C/C(=O)N(C)c2c(C)noc2C)cn1	775872043	MMULZTHJHBBFOV-AATRIKPKSA-N	288.307	1.766	10	20	CDCD	
C[C@H](NC(=O)CCS(C)(=O)=O)c1ccc(N(C)C)cc1	776270135	QRIGVSPJWXUCPN-NSHDSACASA-N	298.408	1.365	10	20	CDCD	
COC(=O)CC1(NCc2cccc(OC)c2O)CCC1	777441733	WFCVKUNSUWNJFZ-UHFFFAOYSA-N	279.336	1.976	10	20	CDCD	
COC[C@@](C)(O)CN[C@H](C)c1c(O)cccc1F	886526418	LXODGMJUGRTZLV-RNCFNFMXSA-N	257.305	1.579	10	20	CDCD	
COc1ccc(CN2C[C@@H]3C[C@]3(CO)C2)c(O)c1OC	893888652	LSKDXEBGZAGBDU-XHDPSFHLSA-N	279.336	1.224	10	20	CDCD	
COc1ccc(CNC(=O)NCc2ccn(C)c2)c(O)c1	792969528	DKICWNLOFXKSJZ-UHFFFAOYSA-N	289.335	1.739	10	20	CDCD	
CCOC(=O)[C@H]1CCN(Cc2cc(F)ccc2O)C1	896960611	NKRCIRCJTQOENL-JTQLQIEISA-N	267.300	1.916	10	20	CDCD	
COc1cccc(CN2[C@@H](C)[C@H](C)N(C)C(=O)[C@H]2C)c1O	895921275	PAUBDVSOZRSLDV-SDDRHHMPSA-N	292.379	1.840	10	20	CDCD	
COc1ccc(CNC(=O)Cc2ccccc2O)c(O)c1	794377708	URAKCPKZDQLZJR-UHFFFAOYSA-N	287.315	1.965	10	20	CDCD	
COc1ccc(CN2C[C@@H](O)C[C@H]2C)c(O)c1OC	893949443	NQCDTRCVGWKZCT-KOLCDFICSA-N	267.325	1.365	10	20	CDCD	
C[C@]1(C(N)=O)CCN(Cc2c(O)ccc3ccncc23)C1	794711872	LCCBNLGHNLVNIV-INIZCTEOSA-N	285.347	1.638	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NOC/C=C\Cl	794291414	TZDKEEIUZRODNX-RRPUJVGUSA-N	269.684	1.911	10	20	CDCD	
CCn1ncnc1CNC(=O)NCc1ccccc1O	792953693	XAZLNBUJOOUNJZ-UHFFFAOYSA-N	275.312	1.003	10	20	CDCD	
COc1ccc(O)c(CNCC2(S(C)(=O)=O)CCC2)c1	279791483	MJWJNXBEENNWEH-UHFFFAOYSA-N	299.392	1.458	10	20	CDCD	
C[C@H]1NCC[C@@H]1C(=O)NCc1ccc(N(C)C)cc1	92955703	TZCLZKNGTREQPG-RISCZKNCSA-N	261.369	1.367	10	20	CDCD	
COC[C@@H]1CCCCN1C(=O)NCc1ccc(N)cc1	1262603594	NRPRUHMASGHYJK-AWEZNQCLSA-N	277.368	1.979	10	20	CDCD	
O=C(CCNC1CC1)NCc1c(O)cccc1F	1341762993	FNNFZPSNYVATKQ-UHFFFAOYSA-N	252.289	1.290	10	20	CDCD	
Cc1nc([C@@H](C)NC(=O)NCc2ccccc2O)no1	1342099816	PZLMGVQAXABXEQ-MRVPVSSYSA-N	276.296	1.644	10	20	CDCD	
CCc1ncoc1C(=O)NCc1ccc(OC)cc1O	1347059356	DPEXZJXPKXCPGE-UHFFFAOYSA-N	276.292	1.881	10	20	CDCD	
O=C(NCc1cccc(O)c1O)C1(Br)CC1	1347542164	KNXKAERWKZWFOU-UHFFFAOYSA-N	286.125	1.642	10	20	CDCD	
C[C@@H](NC(=O)N1C[C@@H](N)[C@H](C)C1)c1ccc(N(C)C)cc1	1353389127	IYEJIQUIZRXLRR-LALPHHSUSA-N	290.411	1.802	10	20	CDCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C[C@H](O)CN	1521560884	JJYMTXNRRWNJOV-HNNXBMFYSA-N	293.411	1.199	10	20	CDCD	
C[C@@H](NCc1ccon1)c1cc(C(=O)O)ccc1O	1604348433	NEMYGIWESCGGRQ-MRVPVSSYSA-N	262.265	1.929	10	20	CDCD	
Cc1cc(NS(=O)(=O)CC(C)(C)C(=O)O)ccc1O	1610475434	JOGUEQXDXATHCR-UHFFFAOYSA-N	287.337	1.553	10	20	CDCD	
COC[C@@H](C)NCc1ccc(N2CCOCC2)cc1	20087474	NMGFTHJAAKENHW-CYBMUJFWSA-N	264.369	1.648	10	20	CDCD	
CCOc1ccccc1NC[C@H](O)CO[C@H](C)COC	233774942	CWCLTNOOSWKHNU-OLZOCXBDSA-N	283.368	1.910	10	20	CDCD	
C[C@H]1[C@@H](NCc2cccc(Cl)c2O)CCS1(=O)=O	293959268	PTYRKNUKHZZPBI-KWQFWETISA-N	289.784	1.711	10	20	CDCD	
CCOC[C@H]1CN(C(=O)Cc2ccc(N)cc2)CCO1	705800537	UEVDBXHSXKISOG-CQSZACIVSA-N	278.352	1.075	10	20	CDCD	
CCN1CC[C@@H](NC(=O)Nc2ccc(N)cc2)C1=O	709014851	QQTNIVXDTHSSHS-LLVKDONJSA-N	262.313	1.011	10	20	CDCD	
CCS(=O)(=O)N1CCOc2cc(N(C)C)ccc21	174063924	ZCTHZRPZBOONCE-UHFFFAOYSA-N	270.354	1.301	10	20	CDCD	
CC[C@@H](C)NC(=O)[C@H](C)NC(=O)c1ccc(C)c(O)c1O	177677080	OMZHSFGPVCHSAH-ZJUUUORDSA-N	294.351	1.439	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@H](NC(C)=O)C(C)C)c1	114543266	DRNRVRWNBJQCKG-CQSZACIVSA-N	294.351	1.178	10	20	CDCD	
CC(C)OC[C@H](O)CN(C)c1ccc2c(c1)OCO2	121267214	GEULNQSUOZPGEG-GFCCVEGCSA-N	267.325	1.637	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)C(=O)NCC2CC2)c1	191923349	IAEOFYUERILWRD-VIFPVBQESA-N	292.335	1.104	10	20	CDCD	
CNCCN(C)C(=O)c1cc(C)n(-c2ccccn2)c1C	237345367	HXSSBTWKADHPRW-UHFFFAOYSA-N	286.379	1.781	10	20	CDCD	
CCC[C@H]1C(=O)NCCN1Cc1ccc(N(C)C)cc1	93771278	WSHAYWICGARVAM-HNNXBMFYSA-N	275.396	1.853	10	20	CDCD	
CC(C)(C)N1C[C@H](C(=O)Nc2ccc(N)cc2)CC1=O	242940612	HBGCEOZVRGPGTR-SNVBAGLBSA-N	275.352	1.854	10	20	CDCD	
CC(C)(O)CNC(=O)NCc1ccc(N2CC=CC2)cc1	265980573	WVJJLLXNYRKPEJ-UHFFFAOYSA-N	289.379	1.633	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)NC[C@@H](C)OC)c1	276877571	FUAVZOYLWBOEGU-NXEZZACHSA-N	267.325	1.864	10	20	CDCD	
C[C@@H]1CCNC(=O)[C@H]1NCc1ccc(N(C)C)c(F)c1	282367966	NTLPUNJJVZYBBW-YGRLFVJLSA-N	279.359	1.506	10	20	CDCD	
Cc1cc(CN(C)C(C)(C)C(N)=O)ccc1N(C)C	295667626	IYKNOWCVRHUIRM-UHFFFAOYSA-N	263.385	1.757	10	20	CDCD	
OCc1cn(CCCNCc2cccc(Cl)c2O)nn1	291644405	UDHWFXHCWQAKMJ-UHFFFAOYSA-N	296.758	1.309	10	20	CDCD	
Cc1cc(CN[C@@H]2C(=O)NCC[C@H]2C)ccc1N(C)C	815106860	BVXPWFLMJQGWAY-ABAIWWIYSA-N	275.396	1.675	10	20	CDCD	
CCOc1ccc(CNC[C@@H]2CCOC[C@@H]2OC)c(O)c1	824709548	RBCRTOASPLKSHX-BBRMVZONSA-N	295.379	1.932	10	20	CDCD	
C[C@@H](c1nccc(N)n1)N(C)Cc1ccccc1O	821391461	LJRGRQPMCXNQIV-JTQLQIEISA-N	258.325	1.957	10	20	CDCD	
CCC[C@@H](NC(=O)c1cc(O)cs1)c1nn[nH]n1	829802373	ZYBVFDSOFWDLAE-SSDOTTSWSA-N	267.314	1.238	10	20	CDCD	
COC[C@@H](NC/C=C\c1ccc(N(C)C)cc1)C(=O)O	901477127	HBSBXHQBZFPIOW-ZRUQZJFASA-N	278.352	1.455	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)[C@@]1(Cl)C[C@H]2CC[C@H]1O2	907060404	NHNIMFLRXFMMGS-GAJTVXKRSA-N	297.738	1.643	10	20	CDCD	
CC(C)[C@@H]1CN(C)CCN1C(=O)c1cc(O)cs1	738554721	IRERVCSBCJNJOQ-NSHDSACASA-N	268.382	1.866	10	20	CDCD	
C[C@@H](N)C[C@@H](C)NC(=O)NCc1ccc(N(C)C)cc1	831094979	TXIZXPMJBQJFRN-VXGBXAGGSA-N	278.400	1.678	10	20	CDCD	
CN(C)CC(C)(C)NC(=O)NCc1ccc(N(C)C)cc1	836251401	VHNJJJAHHWEFMQ-UHFFFAOYSA-N	292.427	1.892	10	20	CDCD	
CCc1cccc(CNC[C@@H]2CN3CCC[C@@H]3CO2)c1O	848896119	SIQGEWAQJVAMSK-HZPDHXFCSA-N	290.407	1.907	10	20	CDCD	
CNCCC1CCN(Cc2cc3c(cc2O)OCO3)CC1	843057402	KGZZFMVUWCXCCL-UHFFFAOYSA-N	292.379	1.942	10	20	CDCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@H](C)O	840557034	YXAGCEIFFMNPQU-NWDGAFQWSA-N	264.369	1.489	10	20	CDCD	
COc1cc(O)c(CN[C@@H]2CO[C@@H](C)C2)cc1OC	843433008	UDQLIOGSLCWFAA-ONGXEEELSA-N	267.325	1.676	10	20	CDCD	
C[C@H](NC[C@H](O)CN(C)C)c1cc(F)cc(F)c1O	756551835	AQBKVHOZUFDMMH-WPRPVWTQSA-N	274.311	1.244	10	20	CDCD	
Cn1cc([C@H](CO)NCc2ccc3c(c2)CCCO3)cn1	921939321	XSVAYQJNUQKWFX-HNNXBMFYSA-N	287.363	1.568	10	20	CDCD	
CC[C@H](NCCN1CC[C@@H](O)C1)c1ccccc1O	858549664	YJQSJHWTQCSTOA-OCCSQVGLSA-N	264.369	1.500	10	20	CDCD	
CN(C)c1cc(F)c(CNc2nncn2C)cc1F	865291867	RIAYJDJQCSIEDI-UHFFFAOYSA-N	267.283	1.771	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)COCc2cccnc2)c1	862755368	FUBHQLGDTDVMQX-UHFFFAOYSA-N	286.331	1.929	10	20	CDCD	
Cc1ccc(O)c(CNc2nnc(CCO)s2)c1	865294587	PQVPFBPAGGQISL-UHFFFAOYSA-N	265.338	1.699	10	20	CDCD	
Cc1ncc(C(=O)N(C)Cc2ccc(N(C)C)cc2)c(N)n1	769465042	KDQCHOXVMZEPEN-UHFFFAOYSA-N	299.378	1.705	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)c1	862755782	YFHJYGKFVAITFQ-UONOGXRCSA-N	285.347	1.854	10	20	CDCD	
C[C@H]1CCN(C(=O)c2cc(O)cs2)CCS1(=O)=O	760918798	CQRGWOGTPOYTKD-QMMMGPOBSA-N	289.378	1.103	10	20	CDCD	
C[C@@H](NC(=O)Nc1ncn(C)n1)c1ccccc1O	879657644	GKGUGLXDNOQGRQ-MRVPVSSYSA-N	261.285	1.403	10	20	CDCD	
CN(C(=O)CNC[C@@H]1CCCO1)c1ccc(N)cc1	877078734	BWWUAPSCBDJGKC-ZDUSSCGKSA-N	263.341	1.000	10	20	CDCD	
CN(C(=O)CCOC[C@@H]1CCCO1)c1ccc(N)cc1	877079976	CSHHPXUYUZRZFY-AWEZNQCLSA-N	278.352	1.817	10	20	CDCD	
Nc1ccc(CC(=O)NCCN2CCc3ccccc32)cc1	1122401735	DFWAREWJJNTAFN-UHFFFAOYSA-N	295.386	1.990	10	20	CDCD	
C[C@@H](NC(=O)c1cc(O)cs1)c1nnc2n1CCC2	779165560	QURMEJRXLNBGEE-SSDOTTSWSA-N	278.337	1.482	10	20	CDCD	
COc1cc(O)c(CN[C@@H](C)C[C@H](C)O)cc1OC	783602424	LDDDMISUUNORGG-UWVGGRQHSA-N	269.341	1.658	10	20	CDCD	
C[C@H](O)CCCNCc1ccc(N2CCOCC2)c(F)c1	788524001	JWDHXEPGVJPKAJ-ZDUSSCGKSA-N	296.386	1.913	10	20	CDCD	
CCn1nc(C)c(CNCc2cc(C)cc(OC)c2O)n1	895051416	OFSWEDAJXDPSEG-UHFFFAOYSA-N	290.367	1.919	10	20	CDCD	
CN(Cc1cc2c(cc1O)OCO2)CC1(O)CCOCC1	783715158	IDUYXWXHNPXDRX-UHFFFAOYSA-N	295.335	1.094	10	20	CDCD	
COc1cccc(CN2CCO[C@@H](OC)C2)c1O	895971023	WGNSMCPJVZYHTK-GFCCVEGCSA-N	253.298	1.206	10	20	CDCD	
CC[C@](C)(O)CNCc1ccc(OC)c(OC)c1O	892515836	ZOHCVBJYFOJRPO-AWEZNQCLSA-N	269.341	1.660	10	20	CDCD	
COC(=O)Cc1cccc(NC(=O)c2cc(O)cs2)n1	792513641	QEYWDEOQWTWBKF-UHFFFAOYSA-N	292.316	1.817	10	20	CDCD	
COCc1cc(C(=O)NCc2ccc(OC)cc2O)no1	794390754	QANHFZNCOFSCRF-UHFFFAOYSA-N	292.291	1.465	10	20	CDCD	
CC[C@@H](NC[C@@H](O)CN(C)C)c1ccc(C)cc1O	794811684	XWCBFVLPBUYHAS-TZMCWYRMSA-N	266.385	1.664	10	20	CDCD	
C[C@@H](C[S@](C)=O)NCc1ccc2c(c1)CCO2	168149987	FTBMVDZBDRUYNW-DYZYQPBXSA-N	253.367	1.478	10	20	CDCD	
Cc1ccc(C(=O)NCCN2CC[C@H](C)C2)c(O)c1O	1320202843	MRGFAQWKDAVULI-JTQLQIEISA-N	278.352	1.478	10	20	CDCD	
CCOCC[C@@H](NCc1ccc(N(C)C)cc1)C(=O)O	1334070817	JMAODUJYEHOIIX-CQSZACIVSA-N	280.368	1.722	10	20	CDCD	
CO[C@@]1(C)C[C@H]1NCc1ccc(N2CCOCC2)cc1	694323855	QYOQQSODSURGOY-CVEARBPZSA-N	276.380	1.790	10	20	CDCD	
CCOc1cccc(CN2C[C@H]3COC[C@H]3C2)c1O	718144535	FSDUSRUSIQLUSC-BETUJISGSA-N	263.337	1.869	10	20	CDCD	
CN(Cc1ccccc1O)c1nnnn1C1CCC1	1262218137	VNDHAAIKRNCJOJ-UHFFFAOYSA-N	259.313	1.740	10	20	CDCD	
C[C@@H]1CC[C@@H](C)N1CC(=O)NCc1ccc(N)cc1	1342023972	YPIOPKYWDDEKEX-VXGBXAGGSA-N	261.369	1.758	10	20	CDCD	
O=C(N[C@H](C(=O)O)c1ccccn1)c1cccc(O)c1O	1601402805	XMKPAQMZDBRKEK-NSHDSACASA-N	288.259	1.049	10	20	CDCD	
Cn1ccc([C@@H](NCc2cccc(Cl)c2O)C(=O)O)n1	1600975479	NSEMVWXXINPDME-LLVKDONJSA-N	295.726	1.695	10	20	CDCD	
CC[C@H](N)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C	1578231158	HOJMJDJJRHEFBC-WFASDCNBSA-N	277.412	1.846	10	20	CDCD	
CCN1C(=O)/C(=C/c2cc(C(=O)O)n(C)c2)SC1=S	1596388460	TYBHWMNPGUKIBZ-UITAMQMPSA-N	296.373	1.944	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NCCCC(=O)O)cc1	818391238	ZUGFHAKUIXVVKP-UHFFFAOYSA-N	279.340	1.417	10	20	CDCD	
Cc1cccc(CNC[C@H]2CN3CCC[C@@H]3CO2)c1O	158135309	ZIMBLQLNGZYLDE-CABCVRRESA-N	276.380	1.653	10	20	CDCD	
COc1ccc(O)c([C@H](C)NCC2(S(C)(=O)=O)CC2)c1	280917302	HAMVCUHWIREYCE-JTQLQIEISA-N	299.392	1.629	10	20	CDCD	
C[C@H](N[C@H]1CCCNC1=O)c1ccc(N(C)C)cc1	50395132	QMBKARQQPGIJMK-FZMZJTMJSA-N	261.369	1.682	10	20	CDCD	
OCC1(CN[C@@H]2CCc3cccc(O)c32)CCOCC1	296973732	RRZHQMNPEWDRKR-CYBMUJFWSA-N	277.364	1.758	10	20	CDCD	
COCCN(C)CCNCc1ccc2c(c1)CCO2	61377492	GJNJXKCQECFGDX-UHFFFAOYSA-N	264.369	1.289	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@H]2C[C@H](F)CN2)cc1	188697934	PGUVZDQYQXKLTN-WCQYABFASA-N	265.332	1.069	10	20	CDCD	
CCCN(CC(N)=O)Cc1cc(Cl)cc(OC)c1O	311878596	YAALELPZTHZXPD-UHFFFAOYSA-N	286.759	1.752	10	20	CDCD	
CN(C)C(=O)[C@H]1CCN(Cc2cc(F)ccc2O)C1	840957156	GRLIAVFUHKNRRV-JTQLQIEISA-N	266.316	1.441	10	20	CDCD	
CC[C@H](N)C(=O)NCc1ccc(N2CCCC2)cc1	178710966	YJZUAYDAUKSXQA-AWEZNQCLSA-N	261.369	1.640	10	20	CDCD	
CNC(=O)NC1CCN(c2ccc(OC)cc2)CC1	170671918	LBXKMGNCGFVULE-UHFFFAOYSA-N	263.341	1.593	10	20	CDCD	
CN(Cc1ccccc1O)c1nnc(Cl)cc1C(N)=O	302617009	GCCTVZDRZWAAAO-UHFFFAOYSA-N	292.726	1.571	10	20	CDCD	
C[C@H]1CS(=O)(=O)CCN1Cc1ccccc1O	179577173	QUQRVHHCUJVGJZ-JTQLQIEISA-N	255.339	1.011	10	20	CDCD	
COC[C@@H](C)CNC(=O)N(C)Cc1ccccc1O	172491463	DVIGETCNQUVTHA-NSHDSACASA-N	266.341	1.816	10	20	CDCD	
CN1CCCc2cc(CNC(=O)C3(O)CCCC3)ccc21	124238884	HEHABWXIJDFTJA-UHFFFAOYSA-N	288.391	1.990	10	20	CDCD	
C[C@@]1(O)CCCN(C(=O)c2cccc(O)c2O)C1	126567517	VRQSAOPCIVMABZ-CYBMUJFWSA-N	251.282	1.085	10	20	CDCD	
CN(C)CC(=O)NCCCSc1nccs1	127068719	WJZDKLBCXIXZLE-UHFFFAOYSA-N	259.400	1.303	10	20	CDCD	
Cc1cccc(CNC[C@@H]2CCCS2(=O)=O)c1O	124860283	FZEYJCBKBBEUJK-LBPRGKRZSA-N	269.366	1.367	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2c[nH]c(C#N)c2)cc1	181166078	DFELRFRSBLSTEL-UHFFFAOYSA-N	268.320	1.882	10	20	CDCD	
CC(C)(CCO)CNC(=O)c1cccc(O)c1O	193135196	BUPBGHXKCIPXQP-UHFFFAOYSA-N	253.298	1.236	10	20	CDCD	
O=c1cc[nH]c(/C=C/c2ccc(N3CCOCC3)cc2)n1	131787955	JPAACBZQRSQEDJ-ZZXKWVIFSA-N	283.331	1.777	10	20	CDCD	
CSC1(C(=O)NCc2ccc(O)c(O)c2)CC1	190726003	XUNVVCGFKLWVNK-UHFFFAOYSA-N	253.323	1.610	10	20	CDCD	
CCOc1cccc(CN(C)CC(=O)N2CCCC2)c1O	132708369	LXCVCAQOCQUBFB-UHFFFAOYSA-N	292.379	1.845	10	20	CDCD	
Nc1ccc(CC(=O)N2CC(=O)N[C@H]3CCCC[C@H]32)cc1	237884845	JDSGOWRMUCPZTN-UONOGXRCSA-N	287.363	1.081	10	20	CDCD	
C[C@H](O)CCN(C)C(=O)NCc1ccc(N(C)C)cc1	266537106	OFSPADONIDLLAD-LBPRGKRZSA-N	279.384	1.665	10	20	CDCD	
C[C@@H]1NC(=O)N(Cc2ccc(N3CCCC3)cc2)C1=O	272025635	BQNNEJNAERTIOM-NSHDSACASA-N	273.336	1.727	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)NCC(C)(C)C(N)=O)c1	273519117	TUBCPHCZNNREDH-VIFPVBQESA-N	294.351	1.341	10	20	CDCD	
CC(C)(C)C(=O)C(=O)NCc1ccc(O)c(O)c1	272336394	NPEWAWNJASLBSZ-UHFFFAOYSA-N	251.282	1.329	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)c2cnnn2C)cc1	281146043	APSKMRQFWFHQBM-UHFFFAOYSA-N	287.367	1.591	10	20	CDCD	
Oc1ccccc1CN1CCOC[C@@H]1[C@H]1CCCO1	377698884	MXCOFCSOJJRKHZ-UKRRQHHQSA-N	263.337	1.772	10	20	CDCD	
C[C@H](NC[C@H](CO)[C@@H]1CCOC1)c1ccc(F)cc1O	280756879	FCZOLMGKQDYFOS-QJPTWQEYSA-N	283.343	1.827	10	20	CDCD	
C[C@H](CN)C(=O)NCc1ccc2c(c1)CCCN2C	285705810	CLMFFTWNBJXCOK-LLVKDONJSA-N	261.369	1.280	10	20	CDCD	
CCO[C@@H]1C[C@@H](NC(=O)c2c(F)ccc(O)c2O)[C@H]1OC	295018061	UEJOWEJNSPNLGD-ZDSQKVDBSA-N	299.298	1.159	10	20	CDCD	
COCCN1CN(Cc2cc(Cl)ccc2O)CC1=O	802659405	SDRUPEHFZHWBBO-UHFFFAOYSA-N	284.743	1.294	10	20	CDCD	
CN1CC[C@@H]1CNCc1ccc(Br)cc1O	712585618	HDIUPBUNJXQINM-LLVKDONJSA-N	285.185	1.948	10	20	CDCD	
COCCNCCN[C@@H](C)c1cc(C(=O)OC)ccc1O	817964840	KUGHJZVWVFCBFO-NSHDSACASA-N	296.367	1.065	10	20	CDCD	
C[C@H](NC[C@@H](N)c1ccc(N(C)C)cc1)c1nccn1C	817940286	FPYZGPSRQCZWOD-SWLSCSKDSA-N	287.411	1.837	10	20	CDCD	
Cc1ccc(O)c(CNC[C@@H]2CCCN2CCCO)c1	824559758	YOJBSSUKXUQWSR-HNNXBMFYSA-N	278.396	1.637	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)Nc1ncn(C)n1	836663376	INSDWMJUSYSXBS-UHFFFAOYSA-N	288.355	1.511	10	20	CDCD	
COc1ccc(O)c(CNC(=O)CCSCC(=O)O)c1	832424960	LSGJGUNLOZHEEC-UHFFFAOYSA-N	299.348	1.225	10	20	CDCD	
Oc1c(F)cccc1CN1CC[C@@]2(CCNC2)C1	843120306	DPLQFWMNQNDDEC-CQSZACIVSA-N	250.317	1.717	10	20	CDCD	
COC(=O)NCc1nc(Cc2ccc(N)cc2)no1	843159539	SKIHDIXXASZIHD-UHFFFAOYSA-N	262.269	1.099	10	20	CDCD	
C[C@H](NC[C@@H]1CN(C)CCN1C)c1ccc(Cl)cc1O	841762248	IJKVUPKBTSQLRW-WCQYABFASA-N	297.830	1.942	10	20	CDCD	
CC(=O)c1cc(F)cc(CN(C)[C@H]2CCNC2)c1O	843351129	FTQMWRAHOUFYOW-LBPRGKRZSA-N	266.316	1.528	10	20	CDCD	
COC(=O)[C@@H]1CNCCCN1Cc1cccc(C)c1O	843122407	CAMYJBJHQJSKSJ-ZDUSSCGKSA-N	278.352	1.038	10	20	CDCD	
CCS(=O)(=O)C1CN(Cc2cc(C)ccc2O)C1	841886597	UPRHXCMWDVDMEA-UHFFFAOYSA-N	269.366	1.320	10	20	CDCD	
CN1C(=O)C2(CCCC2)N[C@@H]1c1cc([N+](=O)[O-])ccc1O	742440242	SHOVAECQKMZIQK-LBPRGKRZSA-N	291.307	1.673	10	20	CDCD	
COc1cccc([C@H](C)Nc2cnn(CCO)c2)c1O	846161431	YWWQGHLFXPFOPR-JTQLQIEISA-N	277.324	1.763	10	20	CDCD	
C[C@@H]1C[C@H](NC(=O)c2c(F)ccc(O)c2O)CO1	844153954	PQEBGMQEWDVPAU-RQJHMYQMSA-N	255.245	1.144	10	20	CDCD	
C[C@H](CN)NC(=O)NCc1ccc2c(c1)CCCN2C	841758198	FYTMRHSCEQUCDY-LLVKDONJSA-N	276.384	1.215	10	20	CDCD	
C[C@H](N[C@@H](C)[C@@H]1CN(C)CCO1)c1ccc(F)cc1O	756759546	MNEDUVBBYOBHLD-PGUXBMHVSA-N	282.359	1.901	10	20	CDCD	
CC[C@@H](NCCN1CC[C@H](O)C1)c1ccccc1O	858602401	YJQSJHWTQCSTOA-GXTWGEPZSA-N	264.369	1.500	10	20	CDCD	
Cn1cncc1C(=O)NCc1cc(Cl)ccc1O	857548618	QOMPZEBMCPQQOW-UHFFFAOYSA-N	265.700	1.709	10	20	CDCD	
CC[C@@H](C)N(CCO)Cc1cc(OC)ccc1O	862387138	HMEIKPUVLQNTNM-LLVKDONJSA-N	253.342	1.994	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)Cc2c(C)nn(C)c2C)c1	862760446	UCYUHZKLIGJKIW-UHFFFAOYSA-N	287.363	1.910	10	20	CDCD	
CCS(=O)(=O)C[C@H](C)N(C)Cc1c(C)cccc1O	876737606	SECSQHSAWVBFEJ-LBPRGKRZSA-N	285.409	1.956	10	20	CDCD	
C[C@H](NC(=O)c1cc(O)cs1)c1nncn1C	765423425	AXPRYKKUTCLKCP-LURJTMIESA-N	252.299	1.073	10	20	CDCD	
Cc1cccc(O)c1CNCC1(O)CCN(C)CC1	877062176	ZTYIQZMVRZYEIA-UHFFFAOYSA-N	264.369	1.247	10	20	CDCD	
CN(C)C(=O)O[C@H]1CCCN(C(=O)c2cc(O)cs2)C1	1118705652	WEHVQNLGXRIJQB-JTQLQIEISA-N	298.364	1.757	10	20	CDCD	
COC(=O)NCCCC(=O)N(C)c1ccc(N)cc1	877078480	QZWAGDDYIBMZAD-UHFFFAOYSA-N	265.313	1.368	10	20	CDCD	
CN(C)c1ccc(CN[C@@H]2CCNC(=O)CC2)cc1F	873029823	RXVIRFJMLQYEQT-LBPRGKRZSA-N	279.359	1.650	10	20	CDCD	
C[C@H]1[C@@H](C)N(C)CCN1C(=O)/C=C/c1ccc(O)c(O)c1	779547132	IYJUXJQJLIKIPR-BAEOLTKYSA-N	290.363	1.662	10	20	CDCD	
C[C@H]1CO[C@@H](CO)CN1Cc1cc(Cl)cc(F)c1O	775742161	SGWWUXCLYQBAAY-GZMMTYOYSA-N	289.734	1.766	10	20	CDCD	
C[C@@H](C(=O)NCc1ccc(O)c(O)c1)C(F)(F)F	778920154	YASCEFUNNHNDIP-LURJTMIESA-N	263.215	1.912	10	20	CDCD	
Cc1cc(CCNC(=O)C(N)=O)c(C)n1-c1ccccc1	873869678	PSJVYDDSRVJODE-UHFFFAOYSA-N	285.347	1.238	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCCCN1C	773740984	RJELDMGOVZUGSP-AAEUAGOBSA-N	292.379	1.629	10	20	CDCD	
CN[C@@H](C)c1cn(Cc2ccc(N(C)C)c(C)c2)nn1	881376936	AVGGPSIBSXIDCG-LBPRGKRZSA-N	273.384	1.981	10	20	CDCD	
Cc1nn[nH]c1C(=O)N1CCOc2cc(N(C)C)ccc21	789987211	SOZHKNNYSFKYIT-UHFFFAOYSA-N	287.323	1.218	10	20	CDCD	
Cc1ccc(C(=O)N2C[C@@H](O)C[C@@H]2C)c(O)c1O	788543475	XZDREPOPHAILCI-IUCAKERBSA-N	251.282	1.002	10	20	CDCD	
CCN(C)C(=O)CN[C@@H](C)c1c(O)cccc1F	886595011	ZBIMBAGRNNXJPK-VIFPVBQESA-N	254.305	1.660	10	20	CDCD	
COc1cc(C)cc(CN[C@]2(CCO)CCOC2)c1O	894575800	KYVAVSMLIWCSPQ-OAHLLOKOSA-N	281.352	1.340	10	20	CDCD	
COc1ccc(CNC(=O)NC/C=C\Cl)c(O)c1	899043867	ICATZVAEAZBUGN-DJWKRKHSSA-N	270.716	1.953	10	20	CDCD	
O=C(N[C@H](CCO)C1CCOCC1)c1cccc(O)c1O	790932258	XFKIXHMHBMZPRN-GFCCVEGCSA-N	295.335	1.005	10	20	CDCD	
CCOc1ccc(CN[C@@H](C)C(=O)N(C)C)c(O)c1	791007014	FZWLMSGIGHIMEM-JTQLQIEISA-N	266.341	1.357	10	20	CDCD	
O=C(Nc1nncs1)c1c(F)ccc(O)c1O	790069974	IJEPTDGYZRYNJG-UHFFFAOYSA-N	255.230	1.341	10	20	CDCD	
Oc1ccc(Cl)c(F)c1CNCCc1nc[nH]n1	790975011	YJFBMVBBGORHEU-UHFFFAOYSA-N	270.695	1.635	10	20	CDCD	
CCN(CC)C(=O)CN[C@H](C)c1cc(OC)ccc1O	135728653	JPMRXPOWCIBBHP-LLVKDONJSA-N	280.368	1.920	10	20	CDCD	
COCCN(CC(=O)O)Cc1cc(C)ccc1O	86804418	KXSLNPWZAFGPAE-UHFFFAOYSA-N	253.298	1.234	10	20	CDCD	
C[C@H]1[C@H](C)CCN1C(=O)C(=O)NCCc1ccc(N)cc1	1325428759	TWHYPUYXSNCTDV-NEPJUHHUSA-N	289.379	1.184	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CC[C@H]2OCCC[C@H]2C1	187197429	RMWAHIGHTICOEZ-GXFFZTMASA-N	277.320	1.739	10	20	CDCD	
O=C(O)[C@@H]1[C@H](CNCc2ccc3c(c2)CCO3)C1(F)F	715282458	ZGCWHIUOJYLSSW-JQWIXIFHSA-N	283.274	1.677	10	20	CDCD	
CN(CC(C)(C)CN)C(=O)NCc1ccc(N)cc1	1336291091	YYILIZDWUZAPBE-UHFFFAOYSA-N	264.373	1.395	10	20	CDCD	
C[C@H]1CO[C@H](C)CN1C(=O)NCc1ccc(N)cc1	1338793449	PMXPRIGMWNDZMK-WDEREUQCSA-N	263.341	1.588	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1[C@H]2CCCO[C@H]21	1336435134	WQICMWIOEOPYLY-FOOGCRFISA-N	291.347	1.570	10	20	CDCD	
COC[C@@H]1CN(Cc2ccc(N)cc2)C[C@@H](C)O1	1262488098	QKTNHQDIVUHUAM-RISCZKNCSA-N	250.342	1.505	10	20	CDCD	
Oc1ccc(Cl)cc1CNCc1nnc2n1CCOC2	1343582598	ADLUNGUKLGSSRR-UHFFFAOYSA-N	294.742	1.457	10	20	CDCD	
O=C(NCc1cccc(O)c1O)[C@H]1CCCOC1	1521852301	UJUBKSKPWWCOGC-JTQLQIEISA-N	251.282	1.141	10	20	CDCD	
CCN(CC(OC)OC)C(=O)/C=C\c1ccc(O)c(O)c1	1521902146	GUWQRIMMLGNRJO-VURMDHGXSA-N	295.335	1.578	10	20	CDCD	
O=C(O)Cn1cc(CSc2nccs2)nn1	1602162681	YROXXTFBPVXKGJ-UHFFFAOYSA-N	256.312	1.112	10	20	CDCD	
CC(=O)C(=O)CS[C@@H](Cc1ccc(C)cc1)C(=O)O	1609567827	JIBZDRSGCPBDJL-ZDUSSCGKSA-N	280.345	1.882	10	20	CDCD	
C[C@H](NCc1cnnn1C)c1cc(C(=O)O)ccc1O	1604348139	KBALHIGMZPEPHZ-QMMMGPOBSA-N	276.296	1.070	10	20	CDCD	
CN(C[C@]1(C)CCNC1)c1ccc(OCC(=O)O)cc1	1598442802	XEXVEJFIGWUTDJ-OAHLLOKOSA-N	278.352	1.586	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H](CC)C(=O)O	1596587840	YKXHZUAYFHTKPL-SECBINFHSA-N	286.324	1.605	10	20	CDCD	
CCN(C)C(=O)CN(C)c1ccc(OCC(=O)O)cc1	1596184200	VVMUJVRIISBOTI-UHFFFAOYSA-N	280.324	1.065	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)Nc1n[nH]cc1C(=O)O	1594675257	RXBPZLYOUAGVFS-DUXPYHPUSA-N	289.247	1.171	10	20	CDCD	
CCN1CCCc2cc(CNC[C@H](F)C(=O)O)ccc21	1776875619	XSUJFZQETFWIHZ-ZDUSSCGKSA-N	280.343	1.971	10	20	CDCD	
Cc1nc(CNCc2ccc(C(=O)O)cc2O)oc1C	1777502342	GBQDRSUYDOHKRL-UHFFFAOYSA-N	276.292	1.985	10	20	CDCD	
Cc1ccc(NC=C2C(=O)N(C)C(=O)N(C)C2=O)c(O)c1	5587745	HDWTXVWCZSGWND-UHFFFAOYSA-N	289.291	1.047	10	20	CDCD	
CCn1nncc1CNCc1ccc2c(c1)CCCO2	922281719	MEURWMPNNHUJGH-UHFFFAOYSA-N	272.352	1.913	10	20	CDCD	
CNC(=O)C[C@H](C)NCc1c(O)cccc1OC	825067718	DXFYJXMIGCCHLS-VIFPVBQESA-N	252.314	1.015	10	20	CDCD	
Cc1cnn(C)c1C(=O)N(C)Cc1ccccc1O	839542925	WDVAIFAAHYESOY-UHFFFAOYSA-N	259.309	1.706	10	20	CDCD	
COc1cc(Cl)cc(CNC[C@H]2COCCO2)c1O	228671599	UMWGRNFBFOYFNA-NSHDSACASA-N	287.743	1.559	10	20	CDCD	
c1cc2c(cc1CNCCCN1CCOCC1)CCO2	37362847	HBQMBVLVKLMGFV-UHFFFAOYSA-N	276.380	1.433	10	20	CDCD	
Oc1cc2c(cc1CNCCc1ccncc1)OCO2	42880185	LIBQXTJGZCIATJ-UHFFFAOYSA-N	272.304	1.848	10	20	CDCD	
CNC(=O)CCN(C)Cc1cc(Cl)cc(C(C)=O)c1O	177110272	SJIHOAMFQMFSAA-UHFFFAOYSA-N	298.770	1.816	10	20	CDCD	
COCCN(C)CCN[C@@H](C)c1cc(C)ccc1O	61376362	CQDAPPHNDUFJSZ-ZDUSSCGKSA-N	266.385	1.929	10	20	CDCD	
C[C@@H](N[C@@H]1CCCN(C)C1=O)c1ccc(F)cc1O	704356758	NFVIKRPSNXNWOH-BXKDBHETSA-N	266.316	1.803	10	20	CDCD	
C[C@H]1C[C@H](C(=O)O)CN(C(=O)c2cccc(O)c2O)C1	398749449	VFLLSCVPWOEGML-IUCAKERBSA-N	279.292	1.281	10	20	CDCD	
CC(C)[S@](C)(=O)=NC(=O)c1cccc(O)c1O	926058808	NAIJFCWAFGFUMG-KRWDZBQOSA-N	257.311	1.744	10	20	CDCD	
C[C@@H](NCCN1CCOC1=O)c1ccccc1O	879649704	SUCUADICVHYVME-SNVBAGLBSA-N	250.298	1.495	10	20	CDCD	
COc1cc(Cl)cc(CNCCCCN)c1O	229051005	YZSSUCOLUVFWPI-UHFFFAOYSA-N	258.749	1.883	10	20	CDCD	
CCOc1cccc(CN[C@@H](C)C(=O)OC)c1O	37074012	XLMUSVGXPWMJSH-VIFPVBQESA-N	253.298	1.442	10	20	CDCD	
C[C@@H](NCCCOCCO)c1ccc(F)cc1O	186513976	AQLSKKDSDTZQPP-SNVBAGLBSA-N	257.305	1.581	10	20	CDCD	
C[C@H](NCc1ncn(C)n1)c1ccc(F)c(F)c1O	187814181	VYEAVGMZXAWNQA-ZETCQYMHSA-N	268.267	1.650	10	20	CDCD	
CC[C@H](COC)NC(=O)/C=C/c1ccc(O)c(O)c1	181110432	KZYBCYFXYIFVSK-OKPNEXGHSA-N	265.309	1.652	10	20	CDCD	
CCN(CC)c1ccc(CNCc2ncnn2C)cc1	80532161	YPHPWZLUVWAKCL-UHFFFAOYSA-N	273.384	1.951	10	20	CDCD	
C[C@@H](NCc1ccc(N(C)C)cc1)c1nnnn1C1CC1	191822470	KOQOJNIWXHABGH-LLVKDONJSA-N	286.383	1.925	10	20	CDCD	
Nc1ccc(CNC(=O)CN2CCCCCC2=O)cc1	297140974	ICTYELUWYNQPOD-UHFFFAOYSA-N	275.352	1.288	10	20	CDCD	
Oc1c(Cl)cccc1CNC[C@H]1COCCN1	530181290	LHMTUPBRQKSYEJ-JTQLQIEISA-N	256.733	1.124	10	20	CDCD	
COc1ccc(O)c(CN2CC[S@@](=O)C[C@H](C)C2)c1	369350767	WOPYMOCCGZBGBR-NSPYISDASA-N	283.393	1.601	10	20	CDCD	
Oc1ccc(F)cc1CN1CC([C@@H]2CCOC2)C1	373468298	UXNSLGIAMBHSHE-SNVBAGLBSA-N	251.301	2.000	10	20	CDCD	
CC1(C)CN(Cc2cc3c(cc2O)OCO3)C[C@@H]1O	280619620	ZRWILVBBGULNIN-ZDUSSCGKSA-N	265.309	1.324	10	20	CDCD	
Oc1cc2c(cc1CN1CC[C@](O)(C3CC3)C1)OCO2	373321467	SKCVRAKEGMQGTI-OAHLLOKOSA-N	277.320	1.468	10	20	CDCD	
C[C@@H](OC[C@@H]1CCCCO1)C(=O)NCc1ccc(N)cc1	297145782	ILXJWJJDOZIPKP-DOMZBBRYSA-N	292.379	1.859	10	20	CDCD	
C[C@H]1CC(=O)NCCN1Cc1cc(Cl)cc(F)c1O	809765867	RXFGOXMAEXHTJB-QMMMGPOBSA-N	286.734	1.895	10	20	CDCD	
C[C@@H](NCCC(=O)O)c1ccc(N2CCOCC2)cc1	818046305	RJQXXMLRSVIPMU-GFCCVEGCSA-N	278.352	1.649	10	20	CDCD	
C[C@H](N)[C@H]1COCC[C@@H]1NCc1ccc(N(C)C)c(F)c1	817901773	YHVIEOZSBGQUEN-LNSITVRQSA-N	295.402	1.734	10	20	CDCD	
COc1ccc(O)c([C@H](C)N[C@H]2CCCNC2)c1	817941779	RMXOIAOOZCIGCP-QWRGUYRKSA-N	250.342	1.803	10	20	CDCD	
CN(C)c1ccc(CN2C[C@@H]3CCN(C)[C@@H]3C2)cc1	824893140	LNQWMKIVPMZZAD-GOEBONIOSA-N	259.397	1.889	10	20	CDCD	
COC[C@@]1(CO)CCN(Cc2cc(C)c(C)cc2O)C1	825158417	LCEDICMXMYSBDX-INIZCTEOSA-N	279.380	1.840	10	20	CDCD	
COc1ccc(O)c(CN(C)Cc2nnc(C)o2)c1	827039404	RSOQAOQDMORMDG-UHFFFAOYSA-N	263.297	1.724	10	20	CDCD	
CN1CCC(CNC(=O)c2c(F)ccc(O)c2O)CC1	825679429	RRVSPEKZLFJNID-UHFFFAOYSA-N	282.315	1.309	10	20	CDCD	
COc1cccc(CN(CC(F)F)C[C@H](C)O)c1O	825098248	DZGTYUMIQDCGGY-VIFPVBQESA-N	275.295	1.849	10	20	CDCD	
CCCN1CCC[C@H](C(=O)NCc2ccc(O)c(O)c2)C1	907059066	FLMJYCUAURHPCC-ZDUSSCGKSA-N	292.379	1.836	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)C[C@H]1CC(=O)N1	830141003	LPJFOVSGTWWYQH-GFCCVEGCSA-N	276.336	1.409	10	20	CDCD	
CN(C)c1ccc(CN[C@@H](C(=O)O)[C@H]2CCCOC2)cc1	901832957	QKFBQUQYWMCUDL-DZGCQCFKSA-N	292.379	1.722	10	20	CDCD	
COc1ccc(CNC(=O)[C@@H](N)CCSC)c(O)c1	832177613	BVSWBPDVWLYKBR-NSHDSACASA-N	284.381	1.097	10	20	CDCD	
CC(C)n1cnc(C(=O)NCc2ccc(O)cc2O)c1	910945944	FPRXTTKVATXFDK-UHFFFAOYSA-N	275.308	1.805	10	20	CDCD	
COc1cccc(CNC(=O)NC[C@H]2CCCNC2)c1O	841924302	WQQRDNOKYQPURL-NSHDSACASA-N	293.367	1.200	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)NC[C@@H](N)C1CC1	841965479	GPUQZVDQBZFMHK-GFCCVEGCSA-N	263.341	1.271	10	20	CDCD	
CNC(=N)NC[C@@H]1CCN(c2ccc(OC)cc2)C1	849043699	FWZWIGUTJINDFP-NSHDSACASA-N	262.357	1.265	10	20	CDCD	
COc1cc(O)c(CN2CCC[C@@H](CN)C2)cc1OC	843047518	RVGVQDWZNXWFGV-NSHDSACASA-N	280.368	1.580	10	20	CDCD	
COCCOC[C@@H](C)NCc1ccc2c(c1)CCO2	742377654	XARNWPOMEQFXEU-GFCCVEGCSA-N	265.353	1.763	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CC[C@@]3(CCNC3)C2)c1O	843369346	ZCRBNGXHBXGZGJ-MRXNPFEDSA-N	292.354	1.919	10	20	CDCD	
C[C@H](NC[C@@H](O)CN(C)C)c1cc(F)cc(F)c1O	756551832	AQBKVHOZUFDMMH-WCBMZHEXSA-N	274.311	1.244	10	20	CDCD	
CCCN1CC[C@@H](NC(=O)c2c(F)ccc(O)c2O)C1	857329843	WWGUNAYRKSURAB-SECBINFHSA-N	282.315	1.451	10	20	CDCD	
O=C(OCc1nnc(C2CC2)o1)c1cccc(O)c1O	758582966	VAVFJXWAMUOCNS-UHFFFAOYSA-N	276.248	1.715	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)C[C@H]1CCC(=O)NC1	857466739	FMSMZKYXNHRVEA-LLVKDONJSA-N	276.336	1.267	10	20	CDCD	
CCCCN(Cc1ccccc1O)C(=O)C[C@@H]1CC(=O)N1	854374427	SUWHXMCHXTVBPV-ZDUSSCGKSA-N	290.363	1.800	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H]1CO[C@@H](C)C1	935949257	WLJMFCXYYCJVQV-QWRGUYRKSA-N	284.352	1.919	10	20	CDCD	
CCOC(=O)/C=C\CN(C)c1ccc2c(c1)OCO2	930095680	ZCERIRAWUMFHGP-PLNGDYQASA-N	263.293	1.971	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@H](C)[C@H](C)S(C)(=O)=O)c1	862757169	JXJMRPXYFHJZML-MNOVXSKESA-N	299.392	1.386	10	20	CDCD	
O=C(NCC1(CO)CCCC1)c1cc(O)cs1	771743807	OIEDFYNGUNMGIF-UHFFFAOYSA-N	255.339	1.736	10	20	CDCD	
Cc1cccc(O)c1CNCC(C)(C)NS(C)(=O)=O	877008641	OFTWLOMOJXHCMS-UHFFFAOYSA-N	286.397	1.118	10	20	CDCD	
OCC[C@]1(NCc2cc(Cl)ccc2O)CCOC1	775029495	ORAFXIUMOPLCJC-ZDUSSCGKSA-N	271.744	1.677	10	20	CDCD	
COc1ccc(N(C)CCN(C)[C@@H](C(=O)O)C2CC2)cc1	873643572	MHQIOKDPGJNDNG-OAHLLOKOSA-N	292.379	1.926	10	20	CDCD	
CNC(=O)CCNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1	776119023	ZHWJQOWCDKCRCS-NSHDSACASA-N	292.383	1.249	10	20	CDCD	
CC[C@]1(O)CCN(C(=O)/C=C\c2ccc(O)c(O)c2)C1	779335695	KAJOIJIEBOMTPO-VOKGJARPSA-N	277.320	1.484	10	20	CDCD	
CON(C)CCNCc1ccc(N2CCOCC2)c(F)c1	883172455	HNKBNASRVRJODH-UHFFFAOYSA-N	297.374	1.245	10	20	CDCD	
CCN(CCNC(=O)/C=C\c1ccc(O)c(O)c1)C(C)C	779523033	YXTVRPLDTCPFDK-VURMDHGXSA-N	292.379	1.958	10	20	CDCD	
COC[C@@H]1CCCN1C(=O)/C=C/c1ccc(O)c(O)c1	779527042	BOANXPHZFJGJQR-PZBABLGHSA-N	277.320	1.748	10	20	CDCD	
Cc1ccc(C(=O)N2CCC(OCCO)CC2)c(O)c1O	780993063	CHQHHQZKRVDUSR-UHFFFAOYSA-N	295.335	1.020	10	20	CDCD	
CN(C)c1ccc([C@@H](CNC(=O)NCCF)N(C)C)cc1	899101535	IVYUIFDKQPJKKI-CQSZACIVSA-N	296.390	1.624	10	20	CDCD	
Oc1ccc(Cl)c(F)c1CNCCn1cncn1	790958256	MIAHUFJLKFPVHF-UHFFFAOYSA-N	270.695	1.566	10	20	CDCD	
CCCCOCC(=O)NCCc1ccc(O)c(O)c1	269232922	UBJZXUHJWUMOKL-UHFFFAOYSA-N	267.325	1.573	10	20	CDCD	
COC(=O)CCCCCNC(=O)Cc1ccc(N)cc1	82699564	GNESIWIZXKSOBP-UHFFFAOYSA-N	278.352	1.661	10	20	CDCD	
C[C@@H](CS(=O)(=O)N[C@H](C)c1ccccc1O)C(=O)O	1592817128	XDJYFVAOTMENBN-DTWKUNHWSA-N	287.337	1.093	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)C(=O)N1CCC1(C)C	1324925285	BHJAEXKDSMRMOA-UHFFFAOYSA-N	276.336	1.362	10	20	CDCD	
Cc1nnc(CC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)o1	1326069985	COXISMYAZUSQQN-QMMMGPOBSA-N	291.307	1.079	10	20	CDCD	
Cc1ccc(C(=O)NC[C@@H]2CCCCN2C)c(O)c1O	1262652800	QDSOLLCRQZAZEW-NSHDSACASA-N	278.352	1.620	10	20	CDCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CON	1353677205	DTFBZESEYAEFTG-UHFFFAOYSA-N	265.357	1.380	10	20	CDCD	
Cc1ccc(O)c([C@@H](C)NCCOCC(=O)O)c1	1605296630	OKNYULFBPQKWLA-SNVBAGLBSA-N	253.298	1.452	10	20	CDCD	
O=C(O)C[C@H]1CCCN1Cc1cc2c(cc1O)OC[C@H]2O	1608696624	LEPHTNZKDQYIMY-ZWNOBZJWSA-N	293.319	1.257	10	20	CDCD	
Cn1ccc([C@@H](NCc2cc(Cl)ccc2O)C(=O)O)n1	1608127089	SMRLHNUILMOWFP-GFCCVEGCSA-N	295.726	1.695	10	20	CDCD	
Nc1ccc(CNC(=O)[C@H]2CC[C@@H](CCC(=O)O)O2)cc1	1601215503	BOMKMWNFJNEGPW-QWHCGFSZSA-N	292.335	1.297	10	20	CDCD	
C[C@@H]1CN(C(=O)Nc2ccc(N)cc2)C[C@@H](C)C1=O	1579433134	VRSPFSQOXBXEFJ-NXEZZACHSA-N	261.325	1.958	10	20	CDCD	
CC[C@@H](N[C@@H](C)C(=O)N[C@@H](C)C(=O)O)c1ccccc1O	1595316516	FQYKRNTYPIWEHG-JBLDHEPKSA-N	294.351	1.411	10	20	CDCD	
C[C@@H](NCc1cn(C)nn1)c1cc(C(=O)O)ccc1O	1593312154	ZINDHSACXXNATQ-MRVPVSSYSA-N	276.296	1.070	10	20	CDCD	
COc1ccc(N2CCCN(C(=O)C(C)(C)N)CC2)cc1	165750298	VQJKMSNKTVLCBB-UHFFFAOYSA-N	291.395	1.471	10	20	CDCD	
Cc1ccc(O)c(CN2CCN(c3cnccn3)CC2)c1	157936465	WOMUSCKGKJFYFL-UHFFFAOYSA-N	284.363	1.813	10	20	CDCD	
CC(C)(C)CC(=O)NCC(=O)NCc1ccc(O)c(O)c1	159112037	JJVIUOMLDQFDNE-UHFFFAOYSA-N	294.351	1.266	10	20	CDCD	
O=C(NC[C@H](O)c1ccccc1)c1cccc(O)c1O	126614043	IUQCHWYKBOGWBO-ZDUSSCGKSA-N	273.288	1.561	10	20	CDCD	
C[C@@H](C[S@@](C)=O)N(C)Cc1cc(F)ccc1O	130872136	SDDNZXWSWPBPCH-XYZCENFISA-N	259.346	1.730	10	20	CDCD	
c1cc(N2CCOCC2)ccc1CNC[C@@H]1CCOC1	37738432	OZVSKSUCWQVEJU-HNNXBMFYSA-N	276.380	1.649	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)N[C@H]1CCOC1	179153095	LKRJKEPHPUIKAK-NSHDSACASA-N	250.298	1.323	10	20	CDCD	
O=C(NCCN[C@@H]1CCc2cccc(O)c21)C1CC1	295938971	KTITVKIWQDNUMH-GFCCVEGCSA-N	260.337	1.495	10	20	CDCD	
CC(C)C(=O)NCCN[C@H]1CCc2cccc(O)c21	295950196	LLORSJGAXTVDFU-LBPRGKRZSA-N	262.353	1.741	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2C[C@H](C)[C@H](O)C2)c1O	388089431	CRWJOQMZBQSRKT-ISVAXAHUSA-N	267.300	1.547	10	20	CDCD	
C[C@H](O)CN(C)C(=O)NCc1ccc(N2CCCC2)cc1	179581611	RSTNVPVJNCBTDM-ZDUSSCGKSA-N	291.395	1.809	10	20	CDCD	
CCN(CC)C(=O)CNCc1cccc(C)c1O	135763221	FXNGPYTUDCKLHF-UHFFFAOYSA-N	250.342	1.659	10	20	CDCD	
CN1[C@@H]2CC[C@@H]1CN(Cc1cc3c(cc1O)OCO3)CC2	118193105	MTIJOQVNPROBRH-CHWSQXEVSA-N	290.363	1.789	10	20	CDCD	
C[C@@H](CN1CCOCC1)NCc1ccc(N(C)C)c(F)c1	113322279	JKQXJIMRGJRZSJ-ZDUSSCGKSA-N	295.402	1.702	10	20	CDCD	
CCC[C@@](C)(N)C(=O)N(C)Cc1ccccc1O	37823790	SFJDZNPMASWXEX-CQSZACIVSA-N	250.342	1.868	10	20	CDCD	
CCOC(=O)[C@@H]1CCCN(C(=O)c2cccc(O)c2O)C1	126186967	YCESMGOACWTMJF-SNVBAGLBSA-N	293.319	1.513	10	20	CDCD	
C[C@H](CN)N(C)Cc1cc(Br)ccc1O	382973061	MFBSTAHAONDGSK-MRVPVSSYSA-N	273.174	1.934	10	20	CDCD	
Cc1ccc(O)c(CNC[C@@H]2CCCS(=O)(=O)C2)c1	290206273	VIGJZUIBYMSUJD-LBPRGKRZSA-N	283.393	1.615	10	20	CDCD	
CN(Cc1ccccc1O)C1CCN(S(C)(=O)=O)CC1	179560756	JYDYSBPDCQFROB-UHFFFAOYSA-N	298.408	1.248	10	20	CDCD	
COc1cccc(CN2CC[C@@H](C(=O)O)[C@H]2C)c1O	92943098	OCWCSNIIXNMKJO-MWLCHTKSSA-N	265.309	1.696	10	20	CDCD	
C[C@@H](CCO)CCNCc1cc2c(cc1O)OCO2	295175763	UZWJRBQFMQOATF-SNVBAGLBSA-N	267.325	1.619	10	20	CDCD	
CCn1nncc1CNC(=O)NCc1ccccc1O	528063071	IWCJXIHXZNECRP-UHFFFAOYSA-N	275.312	1.003	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NCCN2CCO[C@@H](C)C2)c1	248496417	LHMBUILIMACJII-QWHCGFSZSA-N	294.395	1.772	10	20	CDCD	
CO[C@H](C)CCC(=O)NCCc1ccc(O)c(O)c1	184023915	CSJXCWCJUGQQHQ-SNVBAGLBSA-N	267.325	1.572	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H]2CCN3CCCC[C@H]23)c(O)c1O	271324416	YBUXKGJDRPLKHW-CHWSQXEVSA-N	290.363	1.763	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNC[C@H]2CCCN2C)c1O	278627331	GKMYNEMBLFMHLN-LLVKDONJSA-N	295.339	1.493	10	20	CDCD	
CN(C)[C@@H]1CCC[C@H](NC(=O)c2c(F)ccc(O)c2O)C1	276637607	ULTJSVJXYUDJEN-VHSXEESVSA-N	296.342	1.840	10	20	CDCD	
CC(C)[C@@H](O)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	285716627	FHDMFWHBKLYXTB-NOZJJQNGSA-N	267.325	1.162	10	20	CDCD	
Cc1ncc(COC(=O)c2cccc(O)c2O)cn1	803440569	ONQSLFPQYGCWRZ-UHFFFAOYSA-N	260.249	1.553	10	20	CDCD	
Cc1ccc(C(=O)N[C@H]2CSC[C@H]2C)c(O)c1O	804504399	RTNFACPMGQPUGZ-SCZZXKLOSA-N	267.350	1.888	10	20	CDCD	
COc1ccc(O)c(CNC(=O)N[C@@H](C)CN(C)C)c1	806810987	QHPNYXOGANVADF-JTQLQIEISA-N	281.356	1.150	10	20	CDCD	
Cn1cccc1C(=O)C(=O)NCc1ccccc1O	806718107	SNZMEPICNJOLOO-UHFFFAOYSA-N	258.277	1.230	10	20	CDCD	
CO[C@@H]1CN(Cc2cc(Cl)cc(C(C)=O)c2O)C[C@H]1O	396000851	NCIKIMTVBWPKPA-CHWSQXEVSA-N	299.754	1.440	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)NCC2CCNCC2)c1	817940808	KWOZKUNORLGQMU-NSHDSACASA-N	292.379	1.829	10	20	CDCD	
Cn1cc(/C=C2/SC(=S)NC2=O)c(C(F)F)n1	812239793	FKQQOIBSTOLCRW-GORDUTHDSA-N	275.305	1.847	10	20	CDCD	
C[C@@H](NC(=O)[C@H]1CCNC(=O)C1)c1ccccc1O	827936792	CYKSQQYSDYEQQC-ZJUUUORDSA-N	262.309	1.096	10	20	CDCD	
Cc1ccc(C(=O)N(C)Cc2c[nH]nc2C)c(O)c1O	824056328	ILIWGJBJXCIZLK-UHFFFAOYSA-N	275.308	1.710	10	20	CDCD	
CNC(=O)C1CCC(NC(=O)c2cc(O)cs2)CC1	732278452	NQFYCVLQUXTNDA-UHFFFAOYSA-N	282.365	1.488	10	20	CDCD	
COC(=O)[C@]1(C)CCN(C(=O)Cc2ccc(N)cc2)C1	831311852	OBWSTVGOFIFHOC-OAHLLOKOSA-N	276.336	1.223	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)Cc2n[nH]c(C)n2)c1	830540987	QPKUHOCCIQCNCV-QMMMGPOBSA-N	290.323	1.247	10	20	CDCD	
Cn1cnc(NC(=O)NCCCSc2nccs2)n1	836662950	CCPCKAXXLXYREU-UHFFFAOYSA-N	298.397	1.576	10	20	CDCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)CCC(N)=O	910558302	NWXXCOIEWVMCRD-LBPRGKRZSA-N	291.395	1.374	10	20	CDCD	
COC[C@@]1(C)CCN(C(=O)c2cc(O)cs2)C1	833554107	ZBIFKLWUILUMAS-LBPRGKRZSA-N	255.339	1.952	10	20	CDCD	
CN(CCc1cnccn1)C(=O)Cc1ccc(N)cc1	831502530	SGLDJQWHSICMNI-UHFFFAOYSA-N	270.336	1.302	10	20	CDCD	
Cc1cc(CNC(=O)NCc2ccccc2O)on1	748462327	PXPTWYFUXDVTPH-UHFFFAOYSA-N	261.281	1.688	10	20	CDCD	
COc1cccc([C@@H](C)NCCc2n[nH]c(C)n2)c1O	846162871	NLLOZKTZPUDJKD-SECBINFHSA-N	276.340	1.721	10	20	CDCD	
CC(C)CCC(=O)NCC(=O)NCc1ccc(O)cc1O	910956516	XCAVNSOQSJZSTF-UHFFFAOYSA-N	294.351	1.266	10	20	CDCD	
COc1ccc(N2CC[C@@H](CNC(=N)N3CCC3)C2)cc1	849043398	BNVBLSAMOGKOFR-ZDUSSCGKSA-N	288.395	1.752	10	20	CDCD	
Nc1ccc(NC(=O)[C@H]2CCc3n[nH]cc3C2)cc1	911660572	KZZRUOYWULZHPU-VIFPVBQESA-N	256.309	1.736	10	20	CDCD	
CO[C@H]1CCC[C@H]1CNC(=O)NCCc1ccc(N)cc1	841867204	LWYQDRYFXYTACR-ZFWWWQNUSA-N	291.395	1.926	10	20	CDCD	
COc1ccc(O)c(CNCC[C@@H]2CCNC2)c1	841037001	RHKDFOUBHDFVSH-NSHDSACASA-N	250.342	1.490	10	20	CDCD	
O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(C(=O)O)o1	740318338	ZYKXXXSUFCRTGY-FLIBITNWSA-N	298.254	1.439	10	20	CDCD	
CCNCCNC(=O)N[C@H](C)c1cc(OC)ccc1O	841934901	NAPVZCSPFSGWDG-SNVBAGLBSA-N	281.356	1.371	10	20	CDCD	
CC(C)[C@H]1CN(C(=O)c2cc(O)cs2)CCN1	856489761	QSHZZQLPUKZXPQ-SNVBAGLBSA-N	254.355	1.524	10	20	CDCD	
CNC[C@@H](C)NC(=O)N[C@@H](C)c1cc(OC)ccc1O	851681023	LYBKIFXPRLSZBD-ZJUUUORDSA-N	281.356	1.369	10	20	CDCD	
C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NCc1ccccc1O	757663526	CBVROKSKVSKPSN-BXUZGUMPSA-N	289.379	1.674	10	20	CDCD	
Cc1cc(CN2CCO[C@@H]([C@H](C)N)C2)ccc1N(C)C	923297437	PFADTKYYUGAEEY-XJKSGUPXSA-N	277.412	1.609	10	20	CDCD	
C[C@@H](NCc1nc(O)cc(CN)n1)c1ccccc1O	854232351	NBGAKVRSGVUMPO-SECBINFHSA-N	274.324	1.197	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2cnco2)cc1F	758878077	FOXPQCBQDXIQHC-UHFFFAOYSA-N	263.272	1.810	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@H](C)[C@@H]2CCC(=O)N2)c1	862755253	PSRDHGTYHOFCAB-PWSUYJOCSA-N	276.336	1.232	10	20	CDCD	
C[C@@H]1C[C@@H](NC[C@]2(O)CCN(C)C2)c2c(O)ccc(F)c21	762787600	MXKLMPVKGIOCSM-NSODJVPESA-N	294.370	1.736	10	20	CDCD	
CC[C@H](NC(C)=O)C(=O)N(C)Cc1ccc(N(C)C)cc1	864635351	XXQUYIXUGURFLV-HNNXBMFYSA-N	291.395	1.626	10	20	CDCD	
CC(=O)c1cc(F)cc(CN[C@@H](CCO)C2CC2)c1O	771799480	ANALGJGBPIFBIG-AWEZNQCLSA-N	281.327	1.985	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1nccnc1C	1119894661	LLSOWYBMTDZPAL-UHFFFAOYSA-N	292.335	1.906	10	20	CDCD	
CC(C)[C@@H](CN)CNC[C@@H](N)c1ccc(N(C)C)cc1	873210871	RCSHNGDRJDKEID-GOEBONIOSA-N	278.444	1.573	10	20	CDCD	
C[C@@H](NC(=O)NC[C@@H]1CCOC1)c1ccccc1O	1118969532	DMHRIMXJKRAAFS-MNOVXSKESA-N	264.325	1.789	10	20	CDCD	
Nc1ccc(CCNC(=O)CCc2cnc(N)s2)cc1	876527800	FMVAPSGXZDOIKX-UHFFFAOYSA-N	290.392	1.599	10	20	CDCD	
CNC(=O)[C@H]1CCC[C@@H]1NCc1c(C)cccc1O	877119152	BSHVCVTZCQJGGI-AAEUAGOBSA-N	262.353	1.705	10	20	CDCD	
CCC(CC)[C@H](O)CNC(=O)NCc1ccc(N)cc1	1120682004	SWQSQLDTXPULHW-CQSZACIVSA-N	279.384	1.865	10	20	CDCD	
O=C(NCC[C@@H](O)C1CCCC1)c1c(F)ccc(O)c1O	881450429	GNCBZJVXIDRABQ-LLVKDONJSA-N	297.326	1.908	10	20	CDCD	
CCc1cc(CNC(=O)/C=C/c2ccc(O)c(O)c2)n[nH]1	779516755	HUMOSMGOLRUSIG-GQCTYLIASA-N	287.319	1.713	10	20	CDCD	
COC(=O)C[C@H](NC(=O)c1cccc(O)c1O)C(C)(C)C	889172322	OXVFLRRXPJXTNB-NSHDSACASA-N	295.335	1.805	10	20	CDCD	
CCCN1CC(=O)N[C@@H]1c1cc(C)cc(OC)c1O	887329974	USVKPNNWBCRDGF-AWEZNQCLSA-N	264.325	1.550	10	20	CDCD	
CCn1nncc1CN[C@H](C)c1c(O)cccc1F	886641895	VGHAVMLANGHZOJ-SECBINFHSA-N	264.304	1.994	10	20	CDCD	
COc1ccc(O)c(CNC(=O)NC/C=C\Cl)c1	892985541	MSOBIMGNBJDNFP-DJWKRKHSSA-N	270.716	1.953	10	20	CDCD	
Cc1ccc(C(=O)NC[C@@H](O)COCC(C)C)c(O)c1O	780966756	ALKFAWBIGRRSRU-LLVKDONJSA-N	297.351	1.170	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NC[C@H]2C[C@@H](N)C2)cc1F	891456868	UEMHMGFYIQQQJP-TXEJJXNPSA-N	294.374	1.428	10	20	CDCD	
CC[C@@H]1CN(Cc2cc(F)cc(F)c2O)C[C@H]1O	894094087	JIEZBCLOZDCZCD-PRHODGIISA-N	257.280	1.873	10	20	CDCD	
COc1ccc(CNC(=O)Cc2ccc(O)cc2)c(O)c1	794376098	ABQLMTNLZYZYHB-UHFFFAOYSA-N	287.315	1.965	10	20	CDCD	
CC[C@H](COC)NC(=O)NCc1ccc(OC)cc1O	792954286	FADJTUMRVDJEBT-LLVKDONJSA-N	282.340	1.625	10	20	CDCD	
COc1ccc(N2CC[C@H](CNC[C@H](C)O)C2)cc1	76360856	QSVCHWLWSAHBMC-QWHCGFSZSA-N	264.369	1.492	10	20	CDCD	
COC(=O)NC1CN(Cc2cc(F)c(N(C)C)cc2F)C1	1329530131	KCJDNCVIMUTYNM-UHFFFAOYSA-N	299.321	1.571	10	20	CDCD	
O=C(O)CC1(CNCc2ccc3c(c2)CCO3)CC1	1328479028	UXKASZINZPSAIF-UHFFFAOYSA-N	261.321	1.966	10	20	CDCD	
COc1cc(C)cc(CN[C@@H](C)C(=O)N2CCCC2)c1O	1338264226	OIIUAOAEEMDUBW-LBPRGKRZSA-N	292.379	1.810	10	20	CDCD	
COc1cccc(O)c1CN1CCN(C(C)C)CC1	768241596	WXIPJJBFHTVCDX-UHFFFAOYSA-N	264.369	1.927	10	20	CDCD	
O=C(O)CN(CC1=NOCC1)Cc1cc(Cl)ccc1O	1608744568	MFVQOWXLDQPEBP-UHFFFAOYSA-N	298.726	1.709	10	20	CDCD	
Cc1oc(S(=O)(=O)Nc2ccc(O)cc2)cc1C(=O)O	1610587466	LGAWHLISWJNPHJ-UHFFFAOYSA-N	297.288	1.793	10	20	CDCD	
C[C@H](CNCc1ccc(N2CCC(O)CC2)cc1)C(=O)O	1589066705	NNVXKWOWFPDGTQ-GFCCVEGCSA-N	292.379	1.458	10	20	CDCD	
Nc1ccc(NC(=O)c2nc(-c3cnccn3)no2)cc1	1580449159	DTNKBSWJQGHPDK-UHFFFAOYSA-N	282.263	1.361	10	20	CDCD	
CN(C)c1ccc(CNCc2c(C(=O)O)cnn2C)cc1	1593708883	JWVJPRSLAYMBNR-UHFFFAOYSA-N	288.351	1.474	10	20	CDCD	
COC(=O)[C@@H](CCC(=O)O)Sc1nccs1	1598699654	ROGOAPYOSGKAGW-ZCFIWIBFSA-N	261.324	1.642	10	20	CDCD	
CC(C)[C@@H](NCc1ccc(N2CC[C@H](O)C2)cc1)C(=O)O	1776305648	GBZXSYYMGOCRJS-LSDHHAIUSA-N	292.379	1.456	10	20	CDCD	
O=C(O)[C@@H](Cc1cnc[nH]1)NCc1cc(F)cc(F)c1O	1777653384	XYNZRJLGNYIDLM-LLVKDONJSA-N	297.261	1.179	10	20	CDCD	
COc1cc(N(C)C[C@H](C)N)cc(OC)c1OC	258803083	RMWDYXJOEIBJDM-VIFPVBQESA-N	254.330	1.496	10	20	CDCD	
COc1cccc(O)c1CN1C[C@@H]2CCC[C@@H](N)[C@H]2C1	843059007	BZOKWDWYVDYOCO-SGMGOOAPSA-N	276.380	1.960	10	20	CDCD	
CCc1cccc(CN(C)C[C@H]2COCCO2)c1O	827139521	BTNUHUCSTBKOEJ-AWEZNQCLSA-N	265.353	1.802	10	20	CDCD	
Nc1ccc(CNC(=O)CCOCC(F)(F)F)cc1	232323467	BLZJLHYFDSGLJG-UHFFFAOYSA-N	276.258	1.854	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC[C@@H]2CCS(=O)(=O)C2)c1	38082794	VKRHSWSHUKKKNW-MNOVXSKESA-N	299.392	1.486	10	20	CDCD	
CNC(=O)[C@H](C)CN(C)Cc1cc(F)cc(F)c1O	708412501	IBNBNILNDWYURN-MRVPVSSYSA-N	272.295	1.484	10	20	CDCD	
Cc1cccc(CNCCCN(C)S(C)(=O)=O)c1O	709600766	CLTUVQJUBBVKDL-UHFFFAOYSA-N	286.397	1.072	10	20	CDCD	
Nc1ccc(NC(=O)N2C[C@@H]3[C@@H](C2)C3(F)F)cc1	715462395	UOWSRQBBERANFJ-NXEZZACHSA-N	253.252	1.998	10	20	CDCD	
O=S1(=O)CCCC[C@@H]1CN[C@@H]1CCc2cccc(O)c21	694583680	GNNUJVMGKLRGTK-CHWSQXEVSA-N	295.404	1.936	10	20	CDCD	
COc1ccc(O)c(CNC2CCC(N)CC2)c1	51693075	AVECJPKUFOISKX-UHFFFAOYSA-N	250.342	1.760	10	20	CDCD	
CO[C@H](CNCc1cc(C)ccc1O)[C@H]1CCOC1	850342518	MDBYMAHRNUQMGP-SWLSCSKDSA-N	265.353	1.842	10	20	CDCD	
O=C(C[C@@H]1CCNC1)NCCCSc1nccs1	129388315	SPPOTMODEINJLH-JTQLQIEISA-N	285.438	1.741	10	20	CDCD	
COCC(=O)N1CCN(Cc2ccc(N(C)C)cc2)CC1	128651123	GJENCXYKKHNWQM-UHFFFAOYSA-N	291.395	1.043	10	20	CDCD	
C[C@@H](CC[S@@](C)=O)NCc1cc(F)ccc1O	226615452	JLXAOZBMJIHEPA-HUTHGQBESA-N	259.346	1.778	10	20	CDCD	
COc1ccc(N2CCN(c3ccnc(C#N)n3)CC2)cc1	320196949	QKKYRNJGRUFARJ-UHFFFAOYSA-N	295.346	1.683	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)Cc1cnn(C)c1	194770767	FWWYILFBKLTOFA-UHFFFAOYSA-N	286.379	1.687	10	20	CDCD	
C[C@@H]1[C@@H](C)S(=O)(=O)CCN1Cc1cc(F)ccc1O	180180146	OMURDONDGLQQEI-NXEZZACHSA-N	287.356	1.539	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)CC1(N)CCC1	237081850	UIWWIIVEPFWMAK-UHFFFAOYSA-N	275.396	1.949	10	20	CDCD	
O=C(NCc1ccccc1O)[C@H]1CC[C@@H](C(=O)O)C1	236450624	VVODIRIPHKXYRW-VHSXEESVSA-N	263.293	1.509	10	20	CDCD	
C[C@H]1OCC[C@@H]1C(=O)N1CCOc2cc(N(C)C)ccc21	92440246	FKIPFUPRWRQRTA-YPMHNXCESA-N	290.363	1.903	10	20	CDCD	
COC(=O)NCCCC(=O)NCc1ccc(N(C)C)cc1	264506662	HOSFPUXRDSSGNX-UHFFFAOYSA-N	293.367	1.505	10	20	CDCD	
Cn1nncc1/C=C1\SC(N2CCCCC2)=NC1=O	267460632	JSVWJIGWFOOYFW-YFHOEESVSA-N	277.353	1.271	10	20	CDCD	
OCC[C@]1(NCc2ccc3c(c2)CCO3)CCOC1	278500576	NUDPOOMFZAIGHX-HNNXBMFYSA-N	263.337	1.253	10	20	CDCD	
C[C@H](CC(C)(C)O)NCc1cc([N+](=O)[O-])ccc1O	294989702	HKDXYBKWHYITLY-SECBINFHSA-N	268.313	1.940	10	20	CDCD	
C[C@@H]1COCC[C@@H]1CNC(=O)c1cc(O)cs1	807704173	UHPRSBOYEUJITK-RKDXNWHRSA-N	255.339	1.856	10	20	CDCD	
NC(=O)CN1CCN(Cc2ccc3ccccc3c2O)CC1	816483582	XMJSBQGKDBXUSV-UHFFFAOYSA-N	299.374	1.148	10	20	CDCD	
O=[N+]([O-])c1ccc(O)c(CNCCc2cn[nH]c2)c1	810165767	BQBZBWCSRFSTAB-UHFFFAOYSA-N	262.269	1.356	10	20	CDCD	
C[C@@H](C(=O)O)N(C)Cc1cc2c(cc1O)OCO2	817779177	CNPISBJBNAFHTL-ZETCQYMHSA-N	253.254	1.026	10	20	CDCD	
C[C@@H](CCCCN)NC[C@@H](N)c1ccc(N(C)C)cc1	817939165	AAMYSYNEGQORCW-XJKSGUPXSA-N	278.444	1.860	10	20	CDCD	
CCCNCCN[C@H](C)c1cc([N+](=O)[O-])ccc1O	817963302	TWQYNHVPMLSLMF-SNVBAGLBSA-N	267.329	1.951	10	20	CDCD	
CN(C)CC(=O)NCc1ccc(N2CCCCC2)cc1	727376055	QSJFKZKOZPYQSZ-UHFFFAOYSA-N	275.396	1.855	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@H]2NCC2(C)C)cc1F	827901407	NIZRQUPKVWIILN-ZDUSSCGKSA-N	279.359	1.506	10	20	CDCD	
O=C1CC[C@H]2CN(Cc3ccccc3O)CC[C@H]2N1	827141160	PQNNGGNJTLSZJH-WCQYABFASA-N	260.337	1.493	10	20	CDCD	
NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(O)cs1	732277274	JJUVJVMLBPOSOS-NSHDSACASA-N	290.344	1.280	10	20	CDCD	
Cc1ccc(C(=O)OCCNC(=O)C2CC2)c(O)c1O	908966464	LORRDJNUPTTXPD-UHFFFAOYSA-N	279.292	1.089	10	20	CDCD	
COC(=O)CN(CC(=O)O)Cc1cc(Cl)ccc1O	737615285	KIHPZOQOHGKMDA-UHFFFAOYSA-N	287.699	1.105	10	20	CDCD	
O=C(NCCNC(=O)c1cc(O)cs1)c1cccnc1	731870465	ZOTFBHPKSZCXNK-UHFFFAOYSA-N	291.332	1.009	10	20	CDCD	
O=C(NCc1ccccc1O)C1(C(=O)NC2CC2)CC1	749942306	VIFZJXWEWDMEKJ-UHFFFAOYSA-N	274.320	1.067	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN(C)CCN1CCNCC1	843053361	XUTBJSJLCGDWLF-UHFFFAOYSA-N	290.455	1.398	10	20	CDCD	
Oc1c(F)cccc1CN1CC[C@@H](N2CCNCC2)C1	843120672	AVDFMWPTIKNQJO-CYBMUJFWSA-N	279.359	1.011	10	20	CDCD	
C[C@H]1CN[C@H](C)CN1Cc1ccc(N2CCOCC2)cc1	843119662	BDRTWUBBPYQKCH-CABCVRRESA-N	289.423	1.705	10	20	CDCD	
O=C(N[C@@H]1CCCN2CCCC[C@H]12)c1cccc(O)c1O	848351915	HOGUABJKHXNAPI-CHWSQXEVSA-N	290.363	1.845	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@]1(O)CCOC1	840292920	SSQGGPXXGWODNE-INIZCTEOSA-N	292.379	1.253	10	20	CDCD	
CCOc1ccc(CNCCOCCF)c(O)c1	853091877	XSBSTZNDAPKZRA-UHFFFAOYSA-N	257.305	1.867	10	20	CDCD	
C[C@H](C[C@@H]1CCOC1)NC(=O)c1cc(O)cs1	760141749	XOUGSXGMPZIUIQ-BDAKNGLRSA-N	255.339	1.999	10	20	CDCD	
CC1(O)CN(Cc2c(O)cccc2Br)C1	1119244777	JPQYEHJYIQDULT-UHFFFAOYSA-N	272.142	1.721	10	20	CDCD	
Cc1cccc(CN2CCSC[C@H]2CO)c1O	877780125	KTPMPTRQWNHYSY-GFCCVEGCSA-N	253.367	1.610	10	20	CDCD	
COc1cc(O)c(CN2CCSC[C@@H]2CO)cc1OC	877779406	CJBQYLSSTYRUEI-NSHDSACASA-N	299.392	1.319	10	20	CDCD	
COCCN(C)C(=N)NCc1ccc(N(C)C)cc1C	871605974	SWUAGEVWOFYICH-UHFFFAOYSA-N	278.400	1.664	10	20	CDCD	
OC1CCN(c2ccc(CNCCF)cc2)CC1	877496952	ZQMSMMRPWQNVEJ-UHFFFAOYSA-N	252.333	1.707	10	20	CDCD	
O=C(CCn1cccn1)NCc1ccc(O)c(O)c1	778917058	UEFQHFRZXKEXIP-UHFFFAOYSA-N	261.281	1.001	10	20	CDCD	
c1nnc(NCc2ccc(N3CCOCC3)cc2)o1	788326538	FATKBTZJTVMEIL-UHFFFAOYSA-N	260.297	1.518	10	20	CDCD	
CS(C)(=O)=NC(=O)CSc1nccs1	882109419	JANKOFDMLOFDGL-UHFFFAOYSA-N	250.370	1.489	10	20	CDCD	
Cc1cccc(CN2[C@H](C)C(=O)N[C@H](C)[C@H]2C)c1O	895118860	QMJMVCVDITVSMJ-IJLUTSLNSA-N	262.353	1.798	10	20	CDCD	
O=C(COC(=O)c1ccnc(O)c1)c1ccc(O)c(O)c1	784233543	JGDWPNWFCWYCID-UHFFFAOYSA-N	289.243	1.238	10	20	CDCD	
C[C@@H](O)C[C@@H](C)NCc1ccc(N2CCN(C)CC2)cc1	782977474	FXLIGSLJVDWBJP-HUUCEWRRSA-N	291.439	1.687	10	20	CDCD	
COc1cc(C)cc(CN[C@H]2CO[C@H](C)C2)c1O	895083235	IMWIQDMJSFUDLC-ZYHUDNBSSA-N	251.326	1.976	10	20	CDCD	
Cn1cnnc1CNCc1c(O)ccc(Cl)c1F	790949725	HKUUISVTMGJPMI-UHFFFAOYSA-N	270.695	1.603	10	20	CDCD	
CNc1nc(C(=O)NCc2ccc(OC)cc2O)cs1	796349387	AZHXIHJMRWBNAJ-UHFFFAOYSA-N	293.348	1.829	10	20	CDCD	
CO[C@@](C)(CNC(=O)c1ccc(C)c(O)c1O)C1CC1	794398485	CGSBWPYJDJTAIP-HNNXBMFYSA-N	279.336	1.951	10	20	CDCD	
COc1ccc(CNC(=O)N[C@@H]2CCCOCC2)c(O)c1	793141836	YOUOXEMSRYHOKT-GFCCVEGCSA-N	294.351	1.769	10	20	CDCD	
CCNC(=O)[C@@H](C)N[C@@H](C)c1ccc(C)cc1O	36794558	OJTKAZVHZSHXOX-WDEREUQCSA-N	250.342	1.876	10	20	CDCD	
CN(C)CCCNC(=O)c1ccc(CN=[N+]=[N-])o1	1537963001	NVILNPBSBCFQSN-UHFFFAOYSA-N	251.290	1.771	10	20	CDCD	
C[C@H]1CC[C@H](C)N1C(=O)C(=O)NCCc1ccc(N)cc1	1325745867	NMXIJNYLFNYLIY-RYUDHWBXSA-N	289.379	1.327	10	20	CDCD	
CCc1cccc(CN[C@H](C)CC(=O)NC)c1O	691460037	PCPZDIVZINHNGL-SNVBAGLBSA-N	250.342	1.569	10	20	CDCD	
Cc1ccc([C@H](C)NC[C@@H]2CN(C)CCN2C)c(O)c1	68800525	KPPGIUKOZPLNFD-UONOGXRCSA-N	277.412	1.597	10	20	CDCD	
CN(CCCC(=O)N(C)C)Cc1ccccc1O	788021036	WXCLTEPGCORCQI-UHFFFAOYSA-N	250.342	1.692	10	20	CDCD	
C[C@@H]1COCC[C@@H]1CNC(=O)NCc1ccc(N)cc1	1346646438	DZUAQTICEZZRMA-DGCLKSJQSA-N	277.368	1.741	10	20	CDCD	
Nc1ccc(CN2CCC([C@H]3OCCC[C@@H]3N)CC2)cc1	1345160147	SHOWSQCGGBFIJE-DLBZAZTESA-N	289.423	1.987	10	20	CDCD	
CCCN(CC(=O)O)Cc1cc(OC)c(OC)cc1O	1609977404	VTWPKDWABZBIIG-UHFFFAOYSA-N	283.324	1.706	10	20	CDCD	
CC[C@H](N)CN[C@@H](C)c1cc(C(=O)O)ccc1O	1595222225	CCOLTUJUHJCXTR-WPRPVWTQSA-N	252.314	1.478	10	20	CDCD	
C[C@H](NC(=O)[C@@]1(C(=O)O)CCCO1)c1ccccc1O	1594234656	WBYLFEDTWDNHGL-LKFCYVNXSA-N	279.292	1.203	10	20	CDCD	
NC(=O)[C@@H]1CCN(Cc2c(O)cccc2Cl)C1	157159982	ASXHBPFXXRXYSV-MRVPVSSYSA-N	254.717	1.353	10	20	CDCD	
COc1cccc(CN[C@@H](C)C(=O)NC(C)C)c1O	228943634	AYHPKPBYYXOVNR-JTQLQIEISA-N	266.341	1.404	10	20	CDCD	
COc1ccc(N2CCN(CCCCCO)CC2)cc1	49873905	USJZLCWNZVZNQO-UHFFFAOYSA-N	278.396	1.980	10	20	CDCD	
CO[C@@]1(CNCc2cc(F)cc(F)c2O)CCOC1	708535625	ODHUDRHMHJPNOM-CYBMUJFWSA-N	273.279	1.566	10	20	CDCD	
CCc1cccc(CNCC2(O)CCOCC2)c1O	709465293	XCSOQRGHTSBOFT-UHFFFAOYSA-N	265.353	1.586	10	20	CDCD	
C[S@@](=O)C1(CNCc2cc(F)ccc2O)CCC1	281931686	ZXLXZNFXICHUCP-GOSISDBHSA-N	271.357	1.922	10	20	CDCD	
CC[C@@H](NCCNC(=O)C1CC1)c1ccccc1O	119123526	VXUUGYCEFAWNFS-CYBMUJFWSA-N	262.353	1.959	10	20	CDCD	
C/C=C/C(=O)NCc1ccc(N2CCOCC2)c(F)c1	108260755	VXNNSQHTUYUGRV-NSCUHMNNSA-N	278.327	1.855	10	20	CDCD	
COCCOCCC(=O)N(C)Cc1ccccc1O	63293781	PEEZCKPZINZFOE-UHFFFAOYSA-N	267.325	1.404	10	20	CDCD	
CCOCCN1CCN(Cc2cccc(OC)c2O)CC1	127464395	GAFBYGGNYDKVFA-UHFFFAOYSA-N	294.395	1.555	10	20	CDCD	
COCc1noc(CN[C@@H](C)c2cc(OC)ccc2O)n1	180251064	FGUDRTKDSALAHH-VIFPVBQESA-N	293.323	1.781	10	20	CDCD	
C[C@@H](C[S@@](C)=O)NC(=O)NCc1ccc(N(C)C)cc1	182417465	ZQJJCNSAWUAQJS-PRWKNARSSA-N	297.424	1.319	10	20	CDCD	
CSC[C@@H](C)C(=O)NCCc1ccc(O)c(O)c1	156708674	ARMYHGYAJDUJGN-SECBINFHSA-N	269.366	1.756	10	20	CDCD	
CCCn1cc(C(=O)NCc2ccc(O)c(O)c2)cn1	183288372	OFVSGMUMVGAZRE-UHFFFAOYSA-N	275.308	1.634	10	20	CDCD	
CN(C)c1ccc(CN2CCn3cnnc3C2)cc1F	121842642	LSHHTRITDRSQOH-UHFFFAOYSA-N	275.331	1.499	10	20	CDCD	
CCOCCN(C)Cc1ccc(N2CCOCC2)cc1	71124117	JVBIEXDLYZYNDU-UHFFFAOYSA-N	278.396	1.992	10	20	CDCD	
CNC(=O)[C@@H]1CCCN(Cc2cccc(C)c2O)C1	180218864	SSLRJVRAXBCVRL-CYBMUJFWSA-N	262.353	1.659	10	20	CDCD	
Cc1cccc(CN[C@H](C)CCN2CCN(C)CC2)c1O	186596907	RCMIHGAOSVCLCZ-OAHLLOKOSA-N	291.439	1.816	10	20	CDCD	
Oc1ccc(F)cc1CN1CCN(C[C@H]2CCCO2)CC1	139745398	OXZUTWPIUXUTEE-OAHLLOKOSA-N	294.370	1.828	10	20	CDCD	
CC(C)CNC(=O)CNCc1cc(Cl)ccc1O	134637191	VUIMPHHNNQNMLU-UHFFFAOYSA-N	270.760	1.907	10	20	CDCD	
C[C@H](O)CCNC(=O)NCc1ccc(N(C)C)c(F)c1	265205752	USHGXBXJAPBJHE-JTQLQIEISA-N	283.347	1.462	10	20	CDCD	
O=C(NC[C@H]1CCCO1)c1c(F)ccc(O)c1O	276720395	RZVLJSCBFVPJNB-SSDOTTSWSA-N	255.245	1.146	10	20	CDCD	
CCOCCNCc1ccc([N+](=O)[O-])c(OC)c1O	278463894	FSGWIKFPQSWFCZ-UHFFFAOYSA-N	270.285	1.435	10	20	CDCD	
Cc1ccc(O)c(CN2CC(=O)N(CC3CC3)C2)c1	279428562	NVSAXTLUIIRCJJ-UHFFFAOYSA-N	260.337	1.712	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@]1(F)CCNC1	370783421	YEVJEUQXKXGBMK-OAHLLOKOSA-N	293.342	1.180	10	20	CDCD	
CC(=O)C(=O)CSc1nnc2n1CCCCC2	289703346	RATMWBFROXKBOF-UHFFFAOYSA-N	253.327	1.255	10	20	CDCD	
Oc1cc2c(cc1CN1CC[C@H](n3cccn3)C1)OCO2	290863781	ANXXLTIJWUNFIY-LBPRGKRZSA-N	287.319	1.764	10	20	CDCD	
CC(C)[C@H](O)C(=O)NCc1ccc(N(C)C)cc1	291515165	YBGDSSMREVMLEO-ZDUSSCGKSA-N	250.342	1.386	10	20	CDCD	
CCN1C[C@@H](NCc2ccc(N3CCCC3)cc2)CC1=O	391492842	QHCIZFWDDKAHAZ-HNNXBMFYSA-N	287.407	1.997	10	20	CDCD	
Cc1cc(O)c(CNC[C@@]2(O)CCN(C)C2)cc1Cl	825520227	XFALHSYNDCPWPD-AWEZNQCLSA-N	284.787	1.510	10	20	CDCD	
Cc1cc(O)c(CNC[C@@H]2COCCO2)cc1Cl	825126691	RZRLFEWYBCIZJB-LLVKDONJSA-N	271.744	1.859	10	20	CDCD	
CN1CCN(C(=O)/C=C/c2cnn(C)c2)c2ccccc2C1	728833263	AIPDHHRAASPYBA-BQYQJAHWSA-N	296.374	1.912	10	20	CDCD	
C[C@@H](NC(=O)[C@H]1CCc2nncn2C1)c1ccccc1O	827946931	VKFWNNORXVMNSS-MNOVXSKESA-N	286.335	1.424	10	20	CDCD	
Nc1ccc(NC(=O)c2cnn([C@@H]3CCCNC3)c2)cc1	832250720	ZODHPWHLMMTFKL-CQSZACIVSA-N	285.351	1.642	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@H]1COCO1	919069199	CMMRKBTVVVHYSY-CQSZACIVSA-N	293.367	1.233	10	20	CDCD	
CCN1C(=O)C(C)(C)N[C@@H]1c1ccc(O)c(O)c1	840833667	SJHLWPMRDIZEFN-NSHDSACASA-N	250.298	1.327	10	20	CDCD	
CC[C@H]1CCCCN1C(=O)C(=O)Nc1ccc(N)cc1	841009682	GMTYLGLZILWNIZ-ZDUSSCGKSA-N	275.352	1.998	10	20	CDCD	
COc1cccc(O)c1CN[C@H](CCN)C(F)F	841074854	RWORIXOLKJZEAL-SECBINFHSA-N	260.284	1.473	10	20	CDCD	
COc1cc(Cl)cc(CN[C@H](CN)C2CC2)c1O	841028027	JOWADMWXPJHPSZ-LLVKDONJSA-N	270.760	1.881	10	20	CDCD	
CCN[C@H](C)CNC(=O)NCc1cccc(OC)c1O	841986670	UVCSFUIEOJQHAX-SNVBAGLBSA-N	281.356	1.198	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)C2(C(=O)O)CCC2)c1	852943683	XPJZMAQNYNRCJT-VIFPVBQESA-N	293.319	1.833	10	20	CDCD	
CN(C)c1cc(F)c(CN[C@H]2C[C@H](O)C2)cc1F	858196216	KCPLHYMDRRUDEK-MGCOHNPYSA-N	256.296	1.644	10	20	CDCD	
CNC(=O)CCCN[C@@H](C)c1cc(F)cc(F)c1O	756483757	PQIYOXQWIFQGCN-QMMMGPOBSA-N	272.295	1.847	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)NCCOCCF)c1	853238979	WTNUKVLKMXNIGQ-SNVBAGLBSA-N	285.315	1.816	10	20	CDCD	
Cn1c(=O)oc2cc(/C=C3/SC(=S)NC3=O)ccc21	756628126	SKTUFUNAJOTOCD-WEVVVXLNSA-N	292.341	1.620	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)c1ccc2nc[nH]c2n1	755531040	NOFLUWLDJYOGMO-UHFFFAOYSA-N	298.302	1.342	10	20	CDCD	
Cc1cc(C(=O)NC/C=C\CO)c(C)n1-c1ccccn1	855404354	UKZVQUDIQOSVOI-WAYWQWQTSA-N	285.347	1.767	10	20	CDCD	
COc1c(C(=O)NCc2cc(C)ccc2O)c(C)nn1C	862760155	NICBRVMAWDPWTD-UHFFFAOYSA-N	289.335	1.681	10	20	CDCD	
COc1cccc(O)c1CN1CC[S@@](=O)C[C@@H](C)C1	763646831	COYWJUMGMHMFED-JEOXALJRSA-N	283.393	1.601	10	20	CDCD	
COc1ccc(O)c(CN2CCN(C(C)C)CC2)c1	132265131	UMWNBUZXYRNRHP-UHFFFAOYSA-N	264.369	1.927	10	20	CDCD	
CC(C)CN1C[C@@H](C(=O)Nc2ccc(N)cc2)CC1=O	701031536	UJZKHSQKQAXRJP-NSHDSACASA-N	275.352	1.712	10	20	CDCD	
CCN(CCO)Cc1ccc(N2CCC(O)CC2)cc1	876526990	NFYZLIIGFHBEEQ-UHFFFAOYSA-N	278.396	1.462	10	20	CDCD	
CNC(=O)[C@@H]1CCC[C@@H]1NCc1cc(OC)ccc1O	776253579	YFTJGWGGUBGESR-OLZOCXBDSA-N	278.352	1.405	10	20	CDCD	
CN(C)c1nccc(CNC(=O)c2cc(O)cs2)n1	776248242	KHWATNRUZASPOC-UHFFFAOYSA-N	278.337	1.240	10	20	CDCD	
Cc1ncc(C(=O)NCc2ccccc2O)c(C)n1	777419095	GPVLTIVSOKKZEX-UHFFFAOYSA-N	257.293	1.729	10	20	CDCD	
C[C@@H]1C[C@H](CNC(=O)c2cc(O)cs2)CCO1	771416151	LHLZSIIGPRLNKF-RKDXNWHRSA-N	255.339	1.999	10	20	CDCD	
Cc1cc(C(=O)OCC(=O)c2ccc(O)c(O)c2)n(C)n1	783091951	DVKWKPWADOAGEM-UHFFFAOYSA-N	290.275	1.179	10	20	CDCD	
C[C@@H]1CN(Cc2ccc(N(C)C)c(F)c2)C[C@@H](CO)O1	787417116	IXWOVEGNEAZELJ-YPMHNXCESA-N	282.359	1.473	10	20	CDCD	
C[C@@]1(CO)C[C@H](O)CN1Cc1cc(Cl)cc(F)c1O	895328902	HLFXFETWLAVVRW-GWCFXTLKSA-N	289.734	1.502	10	20	CDCD	
CO[C@H]1CN(Cc2cc(F)c(N(C)C)cc2F)CCO1	895961473	AJBLRQKOWIFMGM-CQSZACIVSA-N	286.322	1.836	10	20	CDCD	
C[C@@H]1C[C@H](C(=O)N[C@H](C)c2ccccc2O)CCN1	1340915316	DDWIJQSFBGJGIR-IJLUTSLNSA-N	262.353	1.958	10	20	CDCD	
CC(=O)NCCC1=CCN(c2ccc(C)nn2)CC1	1089802661	SSTIDGOFSYLNKT-UHFFFAOYSA-N	260.341	1.448	10	20	CDCD	
COc1ccc(CN2CC[C@@](O)(C3CC3)C2)c(O)c1OC	1335049839	CHSUSKDYERTULO-INIZCTEOSA-N	293.363	1.756	10	20	CDCD	
Cc1nn(C)c(C)c1CCC(=O)NCc1ccc(N)cc1	1263303849	LBLCHAOPUIQDAO-UHFFFAOYSA-N	286.379	1.868	10	20	CDCD	
Nc1ccc(CNC(=O)N[C@H]2CCCSC2)cc1	1353365679	GTASIMQXVJDREJ-LBPRGKRZSA-N	265.382	1.964	10	20	CDCD	
Nc1ccc(CN(CCC(=O)O)C[C@H]2CCCO2)cc1	1601215548	DOAACQDJJDQMTK-CQSZACIVSA-N	278.352	1.725	10	20	CDCD	
C[C@@H](N[C@@H]1CC[C@H](C(N)=O)C1)c1cc(C(=O)O)ccc1O	1593353617	BSEGZEZETXTINW-WCABBAIRSA-N	292.335	1.395	10	20	CDCD	
Nc1ccc(CNC(=O)N[C@@H]2CCSC2)cc1	1120608592	RJGKEHUVJXOONP-LLVKDONJSA-N	251.355	1.574	10	20	CDCD	
Cc1ccc(O)c([C@H](C)NC[C@H]2CCCNC2=O)c1	840825774	LHZIEALZYOKOSQ-NWDGAFQWSA-N	262.353	1.877	10	20	CDCD	
C[C@H](CC[S@@](C)=O)NCc1cc2c(cc1O)OCO2	125562111	KNYOMDZVZUDCGJ-HOGDKLEQSA-N	285.365	1.368	10	20	CDCD	
COc1cccc(CNCCC2(O)CCC2)c1O	283903735	HXKXJKAXJRFTFF-UHFFFAOYSA-N	251.326	1.796	10	20	CDCD	
CCC[C@]1(C)C(=O)NCCN1Cc1ccccc1O	189038560	XWODXPFGFDBGFH-OAHLLOKOSA-N	262.353	1.883	10	20	CDCD	
C[C@@H](NCCCS(N)(=O)=O)c1ccc(N(C)C)cc1	45069400	OPTJHESBDDMPDI-LLVKDONJSA-N	285.413	1.082	10	20	CDCD	
Cc1ccnc(C(=O)N2CCOc3cc(N(C)C)ccc32)n1	332229715	PPXXICAJCKIBOM-UHFFFAOYSA-N	298.346	1.890	10	20	CDCD	
O=c1cc2c(n[nH]1)CCN(Cc1cccc(Cl)c1O)C2	274889098	DFIMCFFUOVYSRA-UHFFFAOYSA-N	291.738	1.687	10	20	CDCD	
C[C@@H]1[C@@H](C)[S@](=O)CCN1C(=O)c1cccc(O)c1O	279390601	VUSKIZBCAPQFRC-IXGDSRDXSA-N	283.349	1.079	10	20	CDCD	
CC(C)c1nn(C)cc1C(=O)NCc1ccc(O)c(O)c1	272303275	JFXZFDCNZCELAG-UHFFFAOYSA-N	289.335	1.885	10	20	CDCD	
COc1cc(O)c(CNc2ccc(CO)cn2)cc1OC	291580431	OUYWEKHXOKTMEM-UHFFFAOYSA-N	290.319	1.909	10	20	CDCD	
Cc1cc(CN2CCNC(=O)C2(C)C)ccc1N(C)C	293207328	USLAJJCHVITYMQ-UHFFFAOYSA-N	275.396	1.771	10	20	CDCD	
CC(C)OCCONC(=O)NCc1ccc(N(C)C)cc1	812316245	PLNQPLAXOWMDTB-UHFFFAOYSA-N	295.383	1.908	10	20	CDCD	
COc1cccc(CNC(=O)c2ncc(C)o2)c1O	813811080	PSPSAZRSGPRRDF-UHFFFAOYSA-N	262.265	1.627	10	20	CDCD	
COC[C@@H](C)[C@@H](C)C(=O)NCc1cc(OC)ccc1O	812510344	ZKHPKGHTCTZGRF-GHMZBOCLSA-N	281.352	1.936	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CC[C@H]1O	824338712	ZGLHSONGIRNLAE-ZIAGYGMSSA-N	277.368	1.384	10	20	CDCD	
COC[C@@](C)(CC(=O)OC)NC(=O)c1cc(O)cs1	829698352	GPQDNFLMEDQOFD-GFCCVEGCSA-N	287.337	1.152	10	20	CDCD	
Cc1ncsc1/C=C/C(=O)N(C)c1ccn(C)n1	492684922	WBIXKBBSWIIJMS-SNAWJCMRSA-N	262.338	1.861	10	20	CDCD	
CC(=O)N(C)Cc1cn(Cc2ccc(N(C)C)cc2)nn1	900535178	PBAWPJZNTOLJIT-UHFFFAOYSA-N	287.367	1.371	10	20	CDCD	
O=C(NCCOC[C@@H]1CCOC1)c1cc(O)cs1	732291017	MNZYTXGQIWBRND-SECBINFHSA-N	271.338	1.237	10	20	CDCD	
CCCN(CC)CCNC(=O)/C=C\c1ccc(O)c(O)c1	588406689	ACWPOXVDLFEFQW-VURMDHGXSA-N	292.379	1.959	10	20	CDCD	
O[C@H](CNc1ccccc1OCCF)C[C@@]1(O)CCOC1	905338023	IHVJXEYLRWLABI-WFASDCNBSA-N	299.342	1.349	10	20	CDCD	
CSCC[C@@H](N)C(=O)NCCc1ccc(N)cc1	832658895	GKQGLRZDVFLDNH-GFCCVEGCSA-N	267.398	1.008	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@H](O)C2CC2)c1	830540831	OASHXIMWEOGSMG-ISVAXAHUSA-N	265.309	1.349	10	20	CDCD	
CCC(=O)N[C@@H](C)C(=O)N(C)Cc1ccc(N(C)C)cc1	915260835	BHRFTCYORQRUBG-LBPRGKRZSA-N	291.395	1.626	10	20	CDCD	
COc1ccc(CNC(=O)NCC(C)(F)F)c(O)c1	836478922	ALNHMXOVZYVEQA-UHFFFAOYSA-N	274.267	1.855	10	20	CDCD	
COc1ccc(N2CCCN(c3ncnn3C)CC2)cc1	846747947	AYIXEUFKNXHFTD-UHFFFAOYSA-N	287.367	1.540	10	20	CDCD	
CN(C)c1ccc([C@H](N)CN[C@@H]2CCCNC2)cc1	843125557	CBDYKXYHTDXCPM-UKRRQHHQSA-N	262.401	1.094	10	20	CDCD	
C[C@H](CNC(=O)NCc1ccccc1O)Cn1cccn1	748460720	QDQZVDUTKYBNIJ-GFCCVEGCSA-N	288.351	1.724	10	20	CDCD	
COC[C@@](C)(O)CN[C@H](C)c1cccc(OC)c1O	846143478	GABHCFYRJQOMBO-YGRLFVJLSA-N	269.341	1.449	10	20	CDCD	
CCCN(C(=O)NCCc1ccc(N)cc1)[C@@H]1CCNC1	841955791	NLUGRDYDAFOQKJ-OAHLLOKOSA-N	290.411	1.595	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CCO[C@@H]([C@@H](C)N)C2)c1O	843355824	KAIJUPWUNOOGLS-YMTOWFKASA-N	296.342	1.282	10	20	CDCD	
CCOCc1cc(CNCCCNC)ccc1OC	841041026	AOENYYYHWCNFJI-UHFFFAOYSA-N	266.385	1.931	10	20	CDCD	
COC[C@@]1(C)CCN(Cc2cc3c(cc2O)OC[C@@H]3O)C1	840103989	JBGBAZJXCSLYTJ-HOCLYGCPSA-N	293.363	1.676	10	20	CDCD	
C[C@@H](CN)N(C)Cc1ccc(N2CCN(C)CC2)cc1	843051458	INLUSFRBYIGJGY-AWEZNQCLSA-N	276.428	1.217	10	20	CDCD	
Oc1ccccc1CNc1ncnc2nccnc12	752631108	CHLLDXFSFXSOTC-UHFFFAOYSA-N	253.265	1.738	10	20	CDCD	
CCOc1ccc(CN[C@H](CO)CC(F)F)c(O)c1	758613851	NZOUGGPFXZMGFD-JTQLQIEISA-N	275.295	1.897	10	20	CDCD	
CCCCN(CC(N)=O)C(=O)c1cc(O)cs1	757916497	WGUOBYSJFCCKHO-UHFFFAOYSA-N	256.327	1.181	10	20	CDCD	
CCOc1ccc(CN[C@H](C)C(=O)N(C)OC)c(O)c1	858324834	HTLXPHFRUMJJHP-SNVBAGLBSA-N	282.340	1.289	10	20	CDCD	
Cn1nc(C2CC2)cc1C(=O)NCc1ccccc1O	934935661	MOBCTEXJTNRGTA-UHFFFAOYSA-N	271.320	1.933	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)c2nn(C)cc2C)c1	862754823	LAUDUHURLZVWIQ-UHFFFAOYSA-N	259.309	1.673	10	20	CDCD	
CN(C)c1cc(F)c(CN2CC[C@](F)(CO)C2)cc1F	862358176	XBIAQWYDMOMJLW-CQSZACIVSA-N	288.313	1.937	10	20	CDCD	
COc1ccc(N(C)CCN(C)[C@H](C(=O)O)C2CC2)cc1	873643571	MHQIOKDPGJNDNG-HNNXBMFYSA-N	292.379	1.926	10	20	CDCD	
Cc1cccc(O)c1CN1CCN([C@H]2CCOC2)CC1	877627039	HKPAGRATECEOIG-AWEZNQCLSA-N	276.380	1.607	10	20	CDCD	
C[C@@H](NC[C@@H](O)CN1CCCC1)c1ccccc1O	775131784	VXPYAWJOHRIJGO-CHWSQXEVSA-N	264.369	1.500	10	20	CDCD	
C[C@@H](NC[C@@H](O)COCC1CC1)c1c(O)cccc1F	886519054	MWBKVJNBJTXVSO-ZYHUDNBSSA-N	283.343	1.969	10	20	CDCD	
COc1cc(N2C[C@H]3C[C@@]3(CO)C2)c([N+](=O)[O-])cc1OC	782407081	NUFNIUXTNGNSRC-OTYXRUKQSA-N	294.307	1.431	10	20	CDCD	
CCOC(=O)[C@H](NCc1ccccc1O)[C@H]1CCCOC1	789578877	DBKIMFJNWNZIGM-DZGCQCFKSA-N	293.363	1.840	10	20	CDCD	
CN(C)c1ccc([C@H](CNCc2cnc[nH]2)N(C)C)cc1	898447172	GCCLPBHKAIIKMD-INIZCTEOSA-N	287.411	1.868	10	20	CDCD	
CO[C@H](C)[C@@H](C)NC(=O)c1ccc(C)c(O)c1O	794001816	AHIKDULGGVPBGY-RKDXNWHRSA-N	253.298	1.559	10	20	CDCD	
CCOc1cccc(CNCc2cn(C)cn2)c1O	898045233	JOCYDTLUQNFOKR-UHFFFAOYSA-N	261.325	1.814	10	20	CDCD	
Cc1nnc(O)c(CNC(=O)Cc2ccc(N)cc2)c1C	1328174785	OXVHDBJBZGNAAL-UHFFFAOYSA-N	286.335	1.240	10	20	CDCD	
COC(=O)[C@@H]1CCC[C@H]1NCc1c(O)cccc1OC	1321868629	SDUINWVGTLBBMX-ZYHUDNBSSA-N	279.336	1.832	10	20	CDCD	
CCCc1n[nH]cc1C(=O)NCc1ccccc1O	1320380970	KAQVCJKTIVHVHZ-UHFFFAOYSA-N	259.309	1.998	10	20	CDCD	
COc1cccc(O)c1CNCC1(OC)CCOCC1	746755745	TUDKOISDBCKSBG-UHFFFAOYSA-N	281.352	1.686	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1ccnc(N)c1	1330614639	LQIDNQJDXHWHSC-UHFFFAOYSA-N	284.363	1.968	10	20	CDCD	
CC(=O)[C@@H](C)CCOC(=O)c1cccc(O)c1O	1346757874	OGYILGDUMMQPPD-QMMMGPOBSA-N	252.266	1.870	10	20	CDCD	
COc1ccc(CNCCc2cnn(C)c2)c(O)c1OC	1351976088	ZMGBEJLKFOJHNM-UHFFFAOYSA-N	291.351	1.475	10	20	CDCD	
C[C@H]1CC[C@@H](C)N1CC(=O)NCc1cccc(O)c1O	1352658346	SVBXCHUSOXKTSA-PHIMTYICSA-N	278.352	1.587	10	20	CDCD	
CNC(=O)CCCCC(=O)NCc1ccc(O)cc1O	1350789497	QGYXZZFOJWBHTK-UHFFFAOYSA-N	280.324	1.020	10	20	CDCD	
Nc1ccc(CC(=O)NCC2(CC(=O)O)CCCC2)cc1	1601216280	TYWHEENPFPAPLF-UHFFFAOYSA-N	290.363	1.963	10	20	CDCD	
COc1cc(CN2CCO[C@@H](CC(=O)O)C2)c(O)cc1C	1607158098	SFVIGLGZPQGPEY-LBPRGKRZSA-N	295.335	1.385	10	20	CDCD	
CC[C@@H](CCO)N[C@@H](C)c1cc(C(=O)O)ccc1O	1595128105	GTAGILISZWRZFH-ONGXEEELSA-N	267.325	1.902	10	20	CDCD	
COc1cc(C)cc(CN2C[C@H](C)O[C@H](C(=O)O)C2)c1O	1599391656	BWNBDIQVPHSUGA-GWCFXTLKSA-N	295.335	1.383	10	20	CDCD	
CN(C)c1ccc(CN2CCC=C(C(=O)O)C2)cc1	1777039514	UDPRKACWBCBZQR-UHFFFAOYSA-N	260.337	1.969	10	20	CDCD	
CCCS(=O)(=O)N[C@H](C)c1cc(OC)ccc1O	151306819	TXMYVDSVJNLHMV-SECBINFHSA-N	273.354	1.791	10	20	CDCD	
COc1ccc(O)c([C@H](C)NCC[C@H]2CCNC2=O)c1	846843777	HBPXTILCGFCXLC-QWRGUYRKSA-N	278.352	1.578	10	20	CDCD	
CSC[C@@](C)(O)CNCc1cc2c(cc1O)OCO2	217858297	WQYMNGBCINJMAY-ZDUSSCGKSA-N	285.365	1.325	10	20	CDCD	
Oc1cc2c(cc1CNC[C@H]1CC[C@H](O)C1)OCO2	188797484	OTNZEVLVQHBULE-ONGXEEELSA-N	265.309	1.372	10	20	CDCD	
CC[C@@H](NC[C@H]1CN(C)CCN1C)c1ccccc1O	68801432	SEICTMSSDSEJQC-DZGCQCFKSA-N	277.412	1.679	10	20	CDCD	
C[C@@H]1SCC[C@H]1NC(=O)Cc1ccc(N)cc1	379870641	XLYWKKLFVOGJEI-JOYOIKCWSA-N	250.367	1.822	10	20	CDCD	
COc1ccc(O)c(CNC[C@@H]2[C@H](C(=O)O)C2(F)F)c1	715253421	XRZJDHMCCSRAOO-MWLCHTKSSA-N	287.262	1.456	10	20	CDCD	
CN(Cc1cccc(Br)c1O)[C@H]1CCNC1=O	770379073	IJXLRZQLXARRRP-JTQLQIEISA-N	299.168	1.475	10	20	CDCD	
Cc1ccc(CN[C@@H](C)C(=O)N2CCCC2)c(O)c1	877497197	JMHGIFDAVDOLOW-LBPRGKRZSA-N	262.353	1.801	10	20	CDCD	
NCc1ccc2c(c1)CCCN2CC(=O)NC1CCCC1	62801578	ZAKIWSWVIWEYOO-UHFFFAOYSA-N	287.407	1.957	10	20	CDCD	
CC(C)(C)[C@@H](NC(=O)c1cccc(O)c1O)C(=O)O	125996873	SGXTYVQOHCKEHZ-JTQLQIEISA-N	267.281	1.327	10	20	CDCD	
COC[C@H]1CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1	180778292	KYCMKASGRUEGFB-IYNGYCSASA-N	291.347	1.996	10	20	CDCD	
Cc1cc(C(=O)N(C)C[C@@H](C)O)c(C)n1-c1ccccn1	126560585	WWQIFFQQOTYCBE-GFCCVEGCSA-N	287.363	1.942	10	20	CDCD	
O=C(O)CCCCCNC(=O)c1cccc(O)c1O	125979636	GZGXOMCZXNOPPC-UHFFFAOYSA-N	267.281	1.473	10	20	CDCD	
CCCN(CC)CCNC(=O)/C=C/c1ccc(O)c(O)c1	181150994	ACWPOXVDLFEFQW-SOFGYWHQSA-N	292.379	1.959	10	20	CDCD	
FC(F)CNCc1ccc(N2CCOCC2)cc1	136568729	CYVJAKOJUXRPAF-UHFFFAOYSA-N	256.296	1.878	10	20	CDCD	
Cc1cc(O)c(CN2CCCN(C(N)=O)CC2)cc1C	92754095	XNHFZLRZPVRYLI-UHFFFAOYSA-N	277.368	1.595	10	20	CDCD	
OC[C@H]1CCN(Cc2cc(Br)ccc2O)C1	92762981	MKGWPYADKCYJRI-VIFPVBQESA-N	286.169	1.969	10	20	CDCD	
Cc1ccc(O)c(CN(C)[C@@H]2CCC(=O)N(C)C2)c1	862427866	GGPCOOFMFWUEJL-CYBMUJFWSA-N	262.353	1.753	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC[C@H](O)C2CCOCC2)c1	273345873	ASRWQOFVKKZRRN-ZBEGNZNMSA-N	295.379	1.839	10	20	CDCD	
CCOc1ccc(O)c(CNCC2(S(C)(=O)=O)CC2)c1	279751721	YTIFMQAVOOXRKC-UHFFFAOYSA-N	299.392	1.458	10	20	CDCD	
C[C@H]1C[C@H](C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)CCO1	274898878	FTRUWMGCHWXYFI-NTZNESFSSA-N	293.363	1.960	10	20	CDCD	
CCOc1ccc(O)c(CN2CCC[C@@H](O)C2)c1	271028736	XKVPOOHLRWQKIU-GFCCVEGCSA-N	251.326	1.748	10	20	CDCD	
Cc1ccc(C(=O)Nc2nnc(C)n2C2CC2)c(O)c1O	285730921	GOSYCPYISYAJQA-UHFFFAOYSA-N	288.307	1.893	10	20	CDCD	
Cc1cc(CN(C)[C@@H]2CCS(=O)(=O)C2)ccc1N(C)C	293548182	QZMNSJCDRRPKQR-CQSZACIVSA-N	296.436	1.680	10	20	CDCD	
CC(=O)C(=O)COC(=O)c1ccc(Br)s1	808485053	WXXMUPJJBCMEFS-UHFFFAOYSA-N	291.122	1.826	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@](C)(O)C1CCC1	813514260	ZAZCSCHTQUFRMD-QLJPJBMISA-N	293.363	1.696	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@H](C)NC1CC1	829764576	PLRSJWCRZZAXTD-LBPRGKRZSA-N	275.396	1.818	10	20	CDCD	
CC1(C)C[C@]1(C(=O)O)C(=O)NCc1c(O)cccc1F	902854192	ZGCVUBHNWGGQBC-CQSZACIVSA-N	281.283	1.648	10	20	CDCD	
CCOC(=O)[C@@H]1CSCN1C(=O)c1cc(O)cs1	907902845	VAFZQQAFRZQDCI-QMMMGPOBSA-N	287.362	1.532	10	20	CDCD	
O=C(N[C@@H]1CCO[C@H]1C1CC1)c1c(F)ccc(O)c1O	900494567	SCHDMAFCVGKTTI-RNCFNFMXSA-N	281.283	1.534	10	20	CDCD	
OC[C@]12C[C@@H]1CN(Cc1ccc(Br)cc1O)C2	825628967	OETXADPOSCURSY-ZWNOBZJWSA-N	298.180	1.969	10	20	CDCD	
Cc1cccc(CN2CC[C@@H]3NC(=O)CC[C@@H]3C2)c1O	827133320	SPZCJGXMEFIKOK-OCCSQVGLSA-N	274.364	1.801	10	20	CDCD	
CCOc1ccc(O)c(CN2CCOC[C@H]2C(=O)O)c1	833663107	PNISLGQUWIZMTK-LBPRGKRZSA-N	281.308	1.076	10	20	CDCD	
CC[C@H](O)[C@@H](C)C(=O)NCc1ccc(OC)cc1O	907925301	FSMIAUSQAJRSLU-SKDRFNHKSA-N	267.325	1.424	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1C[C@@H](CO)OC[C@@H]1C	840921572	WWCMKHPJTAFWMU-BBRMVZONSA-N	278.396	1.643	10	20	CDCD	
CNS(=O)(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C	841571616	ZNZWHIWSAXMSHX-LLVKDONJSA-N	285.413	1.046	10	20	CDCD	
CN(C)c1ccc(CNC[C@@H]2CC(=O)N(C3CC3)C2)cc1	846076030	CTLVKBVANUXGHS-AWEZNQCLSA-N	287.407	1.853	10	20	CDCD	
C[C@H](N[C@H](CO)CCF)c1cc([N+](=O)[O-])ccc1O	846210378	ZKGMJVANNKWIMI-IUCAKERBSA-N	272.276	1.672	10	20	CDCD	
CCn1cnnc1CCN[C@@H](C)c1cccc(OC)c1O	846152036	MBKAFIKOIPKQAZ-NSHDSACASA-N	290.367	1.906	10	20	CDCD	
CC(C)(O)[C@H]1CCCN1C(=O)NCCc1ccc(N)cc1	841956511	BQPFXFQRCVEBPD-CQSZACIVSA-N	291.395	1.756	10	20	CDCD	
C[C@H]1[C@@H](C)OCCN1C(=O)NCCc1ccc(N)cc1	841960368	OHLAJUOEFKTUQP-NWDGAFQWSA-N	277.368	1.630	10	20	CDCD	
O=[N+]([O-])c1ccc(O)c(CNCC2OCCCO2)c1	922279291	VAJRNJQQVJNQSS-UHFFFAOYSA-N	268.269	1.153	10	20	CDCD	
O=C1CC[C@@H]2CN(C(=O)c3cc(O)cs3)CC[C@@H]2N1	855674288	ATEYUKWSUHLKDZ-SCZZXKLOSA-N	280.349	1.194	10	20	CDCD	
C[C@H](O)[C@H](O)CN(Cc1ccccc1O)C[C@@H]1CCCO1	929973203	YBWUEGKAIHMRKU-DUVNUKRYSA-N	295.379	1.115	10	20	CDCD	
Cc1cc(C(=O)NC[C@H]2CCN2C)c(C)n1-c1ccccn1	928570498	ULEBCXXNWUZDSH-CQSZACIVSA-N	298.390	1.923	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCC[C@@H]1[C@H](O)C(F)(F)F	760178877	YAPMSCNGZLZZQN-APPZFPTMSA-N	295.282	1.982	10	20	CDCD	
Cc1ccc(CNCc2nc([C@H]3CCCO3)n[nH]2)c(O)c1	877617109	KQHVWMZHMJPINW-CYBMUJFWSA-N	288.351	1.960	10	20	CDCD	
CC[C@@H](CO)C(=O)NCc1ccc(N2CCCC2)cc1	779740418	PDDFMFNLCZRVIF-AWEZNQCLSA-N	276.380	1.922	10	20	CDCD	
COC(=O)[C@H]1[C@H](O)CCCN1Cc1ccc(C)cc1O	877460628	VIALJLNNHLRYIR-TZMCWYRMSA-N	279.336	1.199	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2CCN1CCOC1=O	774750208	BOODLKQSXHGNJZ-UHFFFAOYSA-N	291.351	1.404	10	20	CDCD	
CCO[C@@H]1C[C@H]1C(=O)OCC(=O)c1ccc(O)c(O)c1	783046773	NCKRCYOWDGHDQM-NOZJJQNGSA-N	280.276	1.249	10	20	CDCD	
CCOc1cccc(CN2C[C@@H](O)C[C@@H]2C)c1O	788266790	BQXOGFDVNQMLQX-JQWIXIFHSA-N	251.326	1.746	10	20	CDCD	
COc1ccc(CN[C@H](C)COC(C)=O)c(O)c1	894186780	YVQZNFRXMNANLI-SECBINFHSA-N	253.298	1.442	10	20	CDCD	
COc1ccc(CNC(=S)NC2CC2)c(O)c1	795031541	KEKBLJQKRQJFGA-UHFFFAOYSA-N	252.339	1.527	10	20	CDCD	
COc1ccc(CNS(=O)(=O)Cc2ccon2)c(O)c1	795357040	KKVMQOLEIBFIPU-UHFFFAOYSA-N	298.320	1.008	10	20	CDCD	
c1nc2n(n1)CCN(Cc1ccc(N3CCCC3)cc1)C2	1204320177	NPDSOWWYKSDBJC-UHFFFAOYSA-N	283.379	1.894	10	20	CDCD	
O=S1(=O)CCCN(Cc2c(O)cccc2Cl)CC1	219781177	XYLCUBXSZUTRHH-UHFFFAOYSA-N	289.784	1.666	10	20	CDCD	
CN1CCN(C)[C@H](CNCc2cc(F)cc(F)c2O)C1	708394008	NOFQCGRIIJAVCS-GFCCVEGCSA-N	285.338	1.006	10	20	CDCD	
CCOC(=O)c1nc(=NCc2cc(C)ccc2O)cc[nH]1	1334939884	RGYDTFPTHYDZCP-UHFFFAOYSA-N	287.319	1.701	10	20	CDCD	
O=C(NCc1ccccc1O)[C@@H]1CCc2nccn2C1	787132279	XVMDHTZMSARVRQ-GFCCVEGCSA-N	271.320	1.468	10	20	CDCD	
Cc1c(C(=O)Nc2c(Cl)ccc3nonc23)nnn1C	1342952668	RDMCDWYJIDGHPY-UHFFFAOYSA-N	292.686	1.565	10	20	CDCD	
CC(C)[C@H](C(=O)O)C(=O)NCc1cc(O)ccc1O	1602970051	JFHZDVVKTPRJPN-NSHDSACASA-N	267.281	1.071	10	20	CDCD	
COc1ccc(CN2CCC[C@@H](C(=O)O)C2)c(O)c1OC	1604790633	VESPDGWKMYJFAK-LLVKDONJSA-N	295.335	1.706	10	20	CDCD	
C[C@@H]1CNC[C@H]1CCNC(=O)NCc1c(O)cccc1F	1579452258	FYTQYDBJNCKQBL-GHMZBOCLSA-N	295.358	1.576	10	20	CDCD	
COC(=O)[C@@]12C[C@@H](NC(=O)Nc3ccc(N)cc3)C[C@@H]1C2	1578846107	SWCCLOLCPHRQHD-LYSGOOTNSA-N	289.335	1.732	10	20	CDCD	
C[C@@H](NC(=O)c1ccc(-c2nn[nH]n2)[nH]1)c1ccccc1O	1580309120	KYCXJQXAVMXDET-MRVPVSSYSA-N	298.306	1.391	10	20	CDCD	
COc1cc(C)c(CN2CC[C@](F)(C(=O)O)C2)c(O)c1	1599391332	REIVTCHFKWIDML-CQSZACIVSA-N	283.299	1.708	10	20	CDCD	
Cc1cc(Cl)cc(CNC[C@@](C)(O)C(=O)O)c1O	1594308123	MBLBPFIJUXDDJZ-GFCCVEGCSA-N	273.716	1.279	10	20	CDCD	
CN(C[C@@H](O)[C@H]1CCCO1)c1ccc(OCC(=O)O)cc1	1777049214	XAMYBZKUGLBLDG-ZIAGYGMSSA-N	295.335	1.126	10	20	CDCD	
COc1ccc(O)c([C@H](C)NCCc2cnn[nH]2)c1	851900261	BTZHXLUWDLFNFN-VIFPVBQESA-N	262.313	1.412	10	20	CDCD	
COc1cccc(CNC(=O)CCc2cnn(C)c2)c1O	105650197	REBDZJMMRJREEM-UHFFFAOYSA-N	289.335	1.383	10	20	CDCD	
C[C@H](SCC(=O)NCc1ccc(N(C)C)cc1)[C@@H](C)O	172955229	KKCOZKYVJZMZHU-NEPJUHHUSA-N	296.436	1.871	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCC[C@H](c2ccn[nH]2)C1	187024760	BHSDHWYCCMGUNX-JTQLQIEISA-N	287.319	1.841	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@@H]1CCCO1	186438007	BSNIZMNRQDHPFQ-PWSUYJOCSA-N	279.336	1.714	10	20	CDCD	
NCCCC(=O)NCc1ccc(N2CCOCC2)c(F)c1	132916783	QBMJZWIGBNVRLT-UHFFFAOYSA-N	295.358	1.017	10	20	CDCD	
COc1cccc(CN2CCO[C@H]([C@@H]3CCCO3)C2)c1O	91927839	WHKUQZJOHJSEED-ZFWWWQNUSA-N	293.363	1.781	10	20	CDCD	
C[C@@H](CO)NC(=O)NCc1ccc(N2CC=CC2)cc1	265909943	DULHWLFWVONLQR-LBPRGKRZSA-N	275.352	1.243	10	20	CDCD	
CCO[C@@H]1C[C@H](NCc2cc(OC)ccc2O)[C@@H]1OC	272529800	AYRYDNFYMLKIOJ-CFVMTHIKSA-N	281.352	1.683	10	20	CDCD	
Nc1ccc(CCNC(=O)[C@@H]2CCCCCN2)cc1	364465132	ISESDGKTGSYDJG-AWEZNQCLSA-N	261.369	1.460	10	20	CDCD	
COC[C@@H]1CCN(Cc2cc(OC)c(OC)cc2O)C1	271105164	REUSEKUPOFKBEC-LLVKDONJSA-N	281.352	1.878	10	20	CDCD	
C[C@@H](CO)CCCNC(=O)NCc1ccc(N(C)C)cc1	270236712	KJOLIOXKDQPYOO-CYBMUJFWSA-N	293.411	1.960	10	20	CDCD	
COc1cccc(CN2CC[C@@H]3COC(=O)N[C@H]3C2)c1O	281160563	GECCUICUEGJWRE-NEPJUHHUSA-N	292.335	1.331	10	20	CDCD	
Cc1ccc(O)c(CN2CCC[C@@](F)(CO)C2)c1	289722292	HHYJNJIGYWYUDJ-AWEZNQCLSA-N	253.317	1.997	10	20	CDCD	
C[C@H](O)CN1CCN(Cc2cccc(Cl)c2O)[C@@H](C)C1	281129857	YEKPLKSSWVHKDE-RYUDHWBXSA-N	298.814	1.933	10	20	CDCD	
C[C@H]1CN(Cc2ccccc2O)C[C@@]2(CCOC2)O1	280321982	QKIZMKUOZHDVNU-SWLSCSKDSA-N	263.337	1.772	10	20	CDCD	
Cc1cc(O)c(CN2CC[C@H](S(C)(=O)=O)C2)cc1C	281783066	FADOYFDSTUIZMJ-ZDUSSCGKSA-N	283.393	1.628	10	20	CDCD	
C[C@@H](O)CN(C)C(=O)NCc1ccc(N2CC=CC2)cc1	291698513	KHTAYISHMULTGK-CYBMUJFWSA-N	289.379	1.585	10	20	CDCD	
CC(C)COCCOC(=O)c1cccc(O)c1O	800203381	MMZDQPNFGOJIHQ-UHFFFAOYSA-N	254.282	1.927	10	20	CDCD	
CN(C)c1ccc(CNCCCc2cnn(C)n2)cc1	815143584	AYARCXLCICDWTK-UHFFFAOYSA-N	273.384	1.604	10	20	CDCD	
O=C(O)[C@H]1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)C1	821508626	CCFDIZNLVIYQLE-GQPNGRKGSA-N	277.276	1.044	10	20	CDCD	
COC(=O)[C@@]1(C)CCN(C(=O)Cc2ccc(N)cc2)C1	831311850	OBWSTVGOFIFHOC-HNNXBMFYSA-N	276.336	1.223	10	20	CDCD	
Cc1ccc(C(=O)N2C[C@H]3[C@H]4C=C[C@@H](O4)[C@H]3C2)c(O)c1O	836840883	IDDWWMGNJZMIHC-YVECIDJPSA-N	287.315	1.432	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)N[C@H]1CCCNCC1	841978663	NUKRCPRMCRVXBA-ZDUSSCGKSA-N	277.368	1.676	10	20	CDCD	
COCCN1CC[C@@H](N[C@H](C)c2cccc(OC)c2O)C1	846145177	LVGVCPSQQDNOHB-CHWSQXEVSA-N	294.395	1.772	10	20	CDCD	
C[C@@H]1COC[C@H]1NC(=O)NCc1ccccc1O	915525146	NUJCAVXAJSNWSD-MWLCHTKSSA-N	250.298	1.226	10	20	CDCD	
C[C@@H]1CN(C(=O)C(=O)Nc2ccc(N)cc2)C[C@@H]1C	841053764	BLBYIKBLMPQQNV-AOOOYVTPSA-N	261.325	1.322	10	20	CDCD	
CN1CCN(C(=O)/C=C/c2cnn(C)c2)c2cccnc21	749464293	GGMCAACDZFCBOD-AATRIKPKSA-N	283.335	1.311	10	20	CDCD	
COc1ccc(N(C)CCN(C)CCOCCN)cc1	846224952	FILJSBQDABADJD-UHFFFAOYSA-N	281.400	1.039	10	20	CDCD	
C[C@@H](CC(=O)NCc1ccc(O)cc1O)n1cccn1	910944975	QWDWAQQNWSCBIK-JTQLQIEISA-N	275.308	1.562	10	20	CDCD	
CC[C@@]1(C)CCN(C(=O)C(=O)Nc2ccc(N)cc2)C1	841069028	LDBBAGYBJJYUSW-HNNXBMFYSA-N	275.352	1.856	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@H]2CC[C@@H](CN)C2)c1O	841084969	RCKMOYHQUSGVMN-KOLCDFICSA-N	295.339	1.526	10	20	CDCD	
Cc1ncc(S(=O)(=O)N(C)Cc2ccccc2O)n1C	859004065	CLPKGXKXNLNBGW-UHFFFAOYSA-N	295.364	1.255	10	20	CDCD	
O=C(OCCN1C[C@@H]2CC[C@H](C1)O2)c1cccc(O)c1O	758560749	WKBDWDYYHOMJRS-PHIMTYICSA-N	293.319	1.118	10	20	CDCD	
O=C(NCc1ccc(N2CCC(O)CC2)cc1)C1CC1	856209725	ZFOXGFKQKMSSKV-UHFFFAOYSA-N	274.364	1.674	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(O)n(C)n1	854324816	QEXKAKGHCLYZBW-UHFFFAOYSA-N	288.351	1.464	10	20	CDCD	
C[C@@H](NC(=O)c1nc(C2CC2)nn1C)c1ccccc1O	866161942	ZVRFGBBNLCHPOW-SECBINFHSA-N	286.335	1.889	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@]2(N)CC2(F)F)cc1F	867943149	NEDDARHNGOJBDI-GFCCVEGCSA-N	287.285	1.244	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCOC2(CCOCC2)CC1	769652172	COBQAQBRJILBLC-UHFFFAOYSA-N	297.376	1.865	10	20	CDCD	
CN(C)c1ccc(CN[C@@H]2COCC[C@H]2O)cc1F	865750483	SNACYZMHWHEAST-TZMCWYRMSA-N	268.332	1.131	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)Cn2ccnc2C)c1	862755445	SQGVHUDSWMIORN-UHFFFAOYSA-N	259.309	1.522	10	20	CDCD	
C[C@H](N[C@H](CO)CC(F)F)c1cc([N+](=O)[O-])ccc1O	760041250	XIETWLFTAWTHJL-YUMQZZPRSA-N	290.266	1.967	10	20	CDCD	
Cc1cccc(O)c1CN1CCN(CCO)C(C)(C)C1	877459780	MSKUSFMLQFKPKT-UHFFFAOYSA-N	278.396	1.589	10	20	CDCD	
COCCO[C@@H]1COCC[C@@H]1NCc1ccc(C)cc1O	877424333	JAWMVDVEXPXNBG-GOEBONIOSA-N	295.379	1.611	10	20	CDCD	
CONC(=O)C1CCN(Cc2cccc(C)c2O)CC1	877786596	PMSWGUKHHWFYPC-UHFFFAOYSA-N	278.352	1.590	10	20	CDCD	
COCCn1ccc(C(=O)NCc2ccc(N)cc2)n1	1122536193	UWJCUVDMLDYVRY-UHFFFAOYSA-N	274.324	1.042	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@H](N)CC2CC2)c1	884309987	LMSSOIXJSWMNHM-NOZJJQNGSA-N	278.352	1.705	10	20	CDCD	
Oc1c(F)cc(F)cc1CNCc1nc(C2CC2)n[nH]1	883133163	QUSSSFNNGWIPPY-UHFFFAOYSA-N	280.278	1.956	10	20	CDCD	
COc1ccc(CN(C)[C@H](C)CCO)c(O)c1OC	895186786	XOBYTALUJDWCTI-SNVBAGLBSA-N	269.341	1.612	10	20	CDCD	
COc1ccc(CNC(=O)c2c[nH]cc(C)c2=O)c(O)c1	794391208	VDDOYAFURXHFEM-UHFFFAOYSA-N	288.303	1.328	10	20	CDCD	
COc1ccc(CNC(=O)COC(C)C)c(O)c1	794369669	IUSNEBNIBWMXDI-UHFFFAOYSA-N	253.298	1.442	10	20	CDCD	
O=C1CN(Cc2cc(F)cc(F)c2O)[C@@H]2CCCC[C@H]2N1	893984070	KQOIBAAZGYJPDK-CHWSQXEVSA-N	296.317	1.913	10	20	CDCD	
CCN(CC)C(=O)CNCc1cc2c(cc1O)OCO2	134492817	YXHCWPUQGKEKFY-UHFFFAOYSA-N	280.324	1.079	10	20	CDCD	
CC[C@H](CCO)CNCc1cc(OC)ccc1O	94949758	UCGYDWKDKCSMDJ-LLVKDONJSA-N	253.342	1.899	10	20	CDCD	
O=C(O)[C@H](CNCc1cc([N+](=O)[O-])ccc1O)CC1CC1	1328619841	OCXQDJSYIDSUTF-NSHDSACASA-N	294.307	1.891	10	20	CDCD	
C[C@@H](NC(=O)C(=O)N1CC[C@H]1C)c1ccc(N(C)C)cc1	1334307740	JANIZCVXVMZRFT-VXGBXAGGSA-N	289.379	1.551	10	20	CDCD	
Nc1ccc(CN2CCCN(C[C@@H]3CCCO3)CC2)cc1	1334775097	RFLXZVGDGHSUGD-KRWDZBQOSA-N	289.423	1.956	10	20	CDCD	
COc1ccc(CNCC(C)(C)OCCO)c(O)c1OC	1262371404	KLBHMTRCLKQFNN-UHFFFAOYSA-N	299.367	1.287	10	20	CDCD	
Cc1cccc(CN2CCC[C@H]2C(=O)N(C)C)c1O	179637003	RZFDAXJOTLFEAX-ZDUSSCGKSA-N	262.353	1.753	10	20	CDCD	
C[C@H](C1CC1)N(C)C(=O)C(=O)N(C)Cc1ccccc1O	1344898212	UGJGTZFPKKROSM-LLVKDONJSA-N	290.363	1.608	10	20	CDCD	
Nc1ccc(CNC(=O)[C@H]2CNCCC2(F)F)cc1	1346210325	PGTDOVLDMGBXAU-LLVKDONJSA-N	269.295	1.130	10	20	CDCD	
O=C(NCc1cccc(O)c1O)[C@@H]1C[C@H]1c1cccnc1	1520509209	RWVOUAYWNDZSOO-QWHCGFSZSA-N	284.315	1.913	10	20	CDCD	
CCn1ncc(CN[C@H](C)c2cc(C(=O)O)ccc2O)n1	1605941386	VCTRZNJRBFNWOH-SECBINFHSA-N	290.323	1.553	10	20	CDCD	
O=C(O)[C@H]1C[C@@H](C(=O)Nc2c(Cl)ccc3nonc23)C1	1602213926	KOHQRVYDKVNPFQ-OLQVQODUSA-N	295.682	1.926	10	20	CDCD	
C[C@H](Sc1ncc(Cl)s1)C(=O)C(=O)O	1604456446	FVLUHBQJZMSJJY-VKHMYHEASA-N	251.716	1.931	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2C[C@@H]3C[C@@H]3[C@@H]2C(=O)O)c1O	1776210127	HJYBXCYAXDYETK-AQUOVQTQSA-N	293.294	1.639	10	20	CDCD	
CC[C@@H](CC(=O)O)NCc1ccc(N2CC[C@@H](O)C2)cc1	1776953060	HEXAGZQPJWITCA-DZGCQCFKSA-N	292.379	1.601	10	20	CDCD	
Cc1cc(C)c(O)c(CN2CCN(CC(C)(C)O)CC2)c1	164368355	XOPCZCDPLDIQNG-UHFFFAOYSA-N	292.423	1.898	10	20	CDCD	
C[C@@H]1C[C@@H](C)N(C(=O)Cc2ccc(N)cc2)C[C@@H]1CN	817860498	OERYIJOIDWVPEF-BZPMIXESSA-N	275.396	1.643	10	20	CDCD	
C[C@H](CS(C)(=O)=O)NCc1ccc2c(c1)CCCO2	921739313	ZZYIRVPHUHHITO-LLVKDONJSA-N	283.393	1.534	10	20	CDCD	
CNC(=O)[C@@]1(C)CCN(Cc2cc(C)ccc2O)C1	228098984	YXEUFMLOJFAUDX-HNNXBMFYSA-N	262.353	1.659	10	20	CDCD	
CN(C)c1ccc(CN2CCOC[C@@H]2CC(=O)O)cc1	130095544	LAIASGOURMZNPP-AWEZNQCLSA-N	278.352	1.428	10	20	CDCD	
CN(C(=O)CN1CCCCCC1=O)c1ccc(N)cc1	37273922	ZNCDHRQQEMGCCD-UHFFFAOYSA-N	275.352	1.634	10	20	CDCD	
Cc1cc(CNCc2cc3c(cc2O)OCO3)n(C)n1	283840813	HHPVDGNOHYCRQQ-UHFFFAOYSA-N	275.308	1.453	10	20	CDCD	
CC[C@@H](NC(=O)c1cccc(O)c1O)C(C)(C)O	293962227	IQGBBPAXTYAVPI-SNVBAGLBSA-N	253.298	1.377	10	20	CDCD	
C[C@H](NCC(=O)NCC(F)(F)F)c1cc(F)ccc1O	185179728	FVRIRJUWCGBRBI-ZETCQYMHSA-N	294.248	1.860	10	20	CDCD	
CCOC[C@H]1CCN(C(=O)c2cccc(O)c2O)C1	187163150	HYRHQKOSUWHSCY-JTQLQIEISA-N	265.309	1.596	10	20	CDCD	
C[C@H](C(=O)N(C)C)N1CCCc2cc(CN)ccc21	700809621	RINYVPDMJYYRBP-LLVKDONJSA-N	261.369	1.375	10	20	CDCD	
CO[C@@H]1COC[C@@H]1NCc1cccc(Cl)c1O	839193655	UTLDNWKYBRTHLT-WDEREUQCSA-N	257.717	1.549	10	20	CDCD	
CCOC(=O)CN(C)Cc1ccc(N(C)C)cc1	53100921	OQAZABCBVUIDEJ-UHFFFAOYSA-N	250.342	1.748	10	20	CDCD	
CN(C(=O)NCc1ccc(N)cc1)C1CCC(N)CC1	1353539596	NTIGLGDQLGUEMD-UHFFFAOYSA-N	276.384	1.680	10	20	CDCD	
COCCC(=O)NCc1ccc(N2CCOCC2)c(F)c1	171276795	GYMLMDHEHOATOE-UHFFFAOYSA-N	296.342	1.315	10	20	CDCD	
CN(C)c1ccc(CNC(C)(C)CN2CCOCC2)cc1	308640648	UWQRDWFYBKYJBY-UHFFFAOYSA-N	291.439	1.953	10	20	CDCD	
CCOc1cnc(C(=O)N(C)Cc2ccccc2O)cn1	186413391	VZXCZNXNBADBGB-UHFFFAOYSA-N	287.319	1.853	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CC[C@H]([C@@H]2CCOC2)C1	375694631	YLHBDDXDNUAPOU-WDEREUQCSA-N	277.320	1.596	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)CN(C)[C@H]1CCSC1	136462466	JJWCLSSHSICZSB-ZDUSSCGKSA-N	294.420	1.788	10	20	CDCD	
Cc1ccn(CC(=O)NCc2ccc(N(C)C)cc2)c(=O)c1	194369856	TTXICSGPGJGXJK-UHFFFAOYSA-N	299.374	1.539	10	20	CDCD	
CCS(=O)(=O)C[C@@H](C)N(C)Cc1cccc(C)c1O	180255117	MGGQEMLEGXGOGV-GFCCVEGCSA-N	285.409	1.956	10	20	CDCD	
C[C@@H]1CCCN(C(=O)Cc2ccc(N)cc2)[C@@H]1CN	237507254	OGNBILOKKYCIJL-BXUZGUMPSA-N	261.369	1.397	10	20	CDCD	
CCOc1cccc(CN2C[C@@H](C)O[C@@H](CO)C2)c1O	249367993	OPWKFOGHZPMMTG-DGCLKSJQSA-N	281.352	1.373	10	20	CDCD	
CCOC[C@H](O)CN(CC)c1ccc(OC)c(OC)c1	269645040	TUOWTNZDRMFZKG-CYBMUJFWSA-N	283.368	1.928	10	20	CDCD	
CCO[C@@H]1C[C@H](NCc2cc(OC)ccc2O)[C@H]1OC	272529802	AYRYDNFYMLKIOJ-NWANDNLSSA-N	281.352	1.683	10	20	CDCD	
O=C(NC[C@@H]1CCCCO1)c1c(F)ccc(O)c1O	277614267	IAOQRQXAMXUDTC-QMMMGPOBSA-N	269.272	1.536	10	20	CDCD	
Oc1ccccc1CN1CCN([C@H]2CCC[C@@H]2O)CC1	361053450	RKPNMZZNCDQSKM-HOCLYGCPSA-N	276.380	1.423	10	20	CDCD	
Cn1cc(N2CC[C@@H](NCc3ccccc3O)C2)cn1	370902167	AYYLDOGEIDRINZ-CYBMUJFWSA-N	272.352	1.494	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)NCCCCCO)c1	280146588	RGCQRMLAUBRGPJ-NSHDSACASA-N	281.352	1.992	10	20	CDCD	
CON(C)C(=O)CCN[C@@H](C)c1ccc(N(C)C)cc1	808748237	KSSHAELXKLVMCC-LBPRGKRZSA-N	279.384	1.813	10	20	CDCD	
COCCN(Cc1ccccc1O)[C@@H]1CCS(=O)(=O)C1	290328819	DONVHWMFYYYZQY-CYBMUJFWSA-N	299.392	1.028	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)C1(O)CCC1	648803283	JVRWJGAUAQRXKM-UHFFFAOYSA-N	276.336	1.393	10	20	CDCD	
CC(C)CCC(=O)NCC(=O)NCc1ccc(N)cc1	297331148	XTMGJRDDBQSHNB-UHFFFAOYSA-N	277.368	1.437	10	20	CDCD	
C[C@@](O)(C(=O)NCc1ccc(O)c(O)c1)C1CCC1	813491628	ZXHNOFGMZQSYDH-AWEZNQCLSA-N	265.309	1.265	10	20	CDCD	
C[C@](O)(C(=O)NCCc1ccc(O)c(O)c1)C1CCC1	813489016	LNMMUALJPPKTLI-OAHLLOKOSA-N	279.336	1.308	10	20	CDCD	
COC(=O)N1CC(C)(NCc2ccccc2O)C1	813327827	KRCYZMXTAAZATJ-UHFFFAOYSA-N	250.298	1.323	10	20	CDCD	
CN1CCN(c2ccc(CN[C@@H]3CC[C@H]3O)cc2)CC1	818230649	IZQGMPHAXVQLJP-HZPDHXFCSA-N	275.396	1.051	10	20	CDCD	
Cc1c(CNCCC(=O)NC(N)=O)n(C)c2ccccc12	577603662	QUVKLVUHKGSSRS-UHFFFAOYSA-N	288.351	1.161	10	20	CDCD	
C[C@@H](CNCc1cc([N+](=O)[O-])ccc1O)Cn1cccn1	725847461	LZVXKMQBFBTWGU-NSHDSACASA-N	290.323	1.923	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@H](N)C2CCC2)cc1F	827900699	GVKIYEVLORCRNA-CQSZACIVSA-N	279.359	1.635	10	20	CDCD	
COc1ccc2c(c1)CCCN2CC[S@@](C)=O	827378217	NDOURZYZLFQGDE-QGZVFWFLSA-N	253.367	1.826	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1C[C@H]1C(=O)O	738401853	JWSUFJYUBZPHCG-QWHCGFSZSA-N	276.336	1.398	10	20	CDCD	
CN(C)c1ccc(CN[C@@H](C(=O)O)[C@@H]2CCCOC2)cc1	901832959	QKFBQUQYWMCUDL-UKRRQHHQSA-N	292.379	1.722	10	20	CDCD	
CNC(=O)[C@H](CCSC)N[C@@H]1CCc2cccc(O)c21	834803183	MDQSFMOXLTVXGT-NEPJUHHUSA-N	294.420	1.837	10	20	CDCD	
OC[C@H]1CN(Cc2c(O)cccc2Cl)CC[C@H]1O	840975339	NIHIBYALHUKRDC-BXKDBHETSA-N	271.744	1.221	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1CCC[C@@H]1C(N)=O	840949672	AKQBLMLJJOGXOI-CQSZACIVSA-N	261.369	1.511	10	20	CDCD	
OC[C@@H](NCc1cc(Cl)ccc1O)[C@H]1CCCOC1	840964331	ZZTUCCAUKLPKCC-GXFFZTMASA-N	285.771	1.923	10	20	CDCD	
CCc1cccc(CN[C@@H]2CCC[C@H]2C(=O)NC)c1O	848900025	WZDKYGALTNGOPY-ZIAGYGMSSA-N	276.380	1.959	10	20	CDCD	
COc1ccc(N(C)CCN(C)CC[C@@H](C)O)cc1	844402921	WTNGXWAUYFYAPZ-CYBMUJFWSA-N	266.385	1.834	10	20	CDCD	
CCOC(C)(C)C(=O)NCc1ccc(O)cc1O	910958083	WNDVWLJCKCUVML-UHFFFAOYSA-N	253.298	1.529	10	20	CDCD	
Nc1ccc(NC(=O)C(=O)NCCOCC2CCC2)cc1	843049019	DORQXGMMTJPINO-UHFFFAOYSA-N	291.351	1.140	10	20	CDCD	
CN[C@H]1CCCN(Cc2cc(OC)c(OC)cc2O)C1	843048752	VWAWPMJUSPBHCN-LBPRGKRZSA-N	280.368	1.593	10	20	CDCD	
COc1cc(O)c(CN2CC[C@H](C)[C@@H](CN)C2)cc1OC	841100853	MCUUIYIJNRTHFD-AAEUAGOBSA-N	294.395	1.826	10	20	CDCD	
OC[C@H]1CN(Cc2cc(Cl)c(F)cc2O)CC[C@H]1O	840975617	PMCOQUXYTNTMIQ-BXKDBHETSA-N	289.734	1.360	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)Cc1nnc(O)o1	852188051	FISTYZBNXBRNQK-UHFFFAOYSA-N	262.313	1.473	10	20	CDCD	
CCO[C@@H]1COCC[C@@H]1NCc1cc([N+](=O)[O-])ccc1O	759173903	RCVNRQWUXDPKBU-GXTWGEPZSA-N	296.323	1.584	10	20	CDCD	
CC[C@](C)(O)C(=O)N(C)Cc1ccc(N(C)C)cc1	929533617	TXWQOZWVHGWQOK-HNNXBMFYSA-N	264.369	1.872	10	20	CDCD	
CNC[C@@H](C)NC(=O)NCc1ccc(N(C)C)cc1	851655622	XZNVQJJWKNUZSC-LLVKDONJSA-N	264.373	1.160	10	20	CDCD	
Cc1ccc(C(=O)N(C)CC2(O)CCC2)c(O)c1O	760076908	VUZLWQVVOZJSQR-UHFFFAOYSA-N	265.309	1.393	10	20	CDCD	
CCOc1ccc(CN(CC(N)=O)C(C)C)c(O)c1	768179590	GUDRUTWTXICUKY-UHFFFAOYSA-N	266.341	1.487	10	20	CDCD	
CCc1cc(C(=O)NCc2ccc(N(C)C)cc2)n(C)n1	873829329	MQCZJYOGTLGJMP-UHFFFAOYSA-N	286.379	1.979	10	20	CDCD	
CCCN1CCCC[C@@H]1C(=O)NCc1ccc(O)c(O)c1	1116505057	BJXFQCFLHWSQCB-CYBMUJFWSA-N	292.379	1.979	10	20	CDCD	
Cc1cccc(O)c1CN1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O	877467156	XARBFBWGOBECKK-YWPYICTPSA-N	274.364	1.786	10	20	CDCD	
COc1cc(C)cc(CN2CCN(C(C)C)C(=O)C2)c1O	779884631	ZKPIWYPOBOUOLV-UHFFFAOYSA-N	292.379	1.762	10	20	CDCD	
C[C@H]1OCC[C@H]1Cn1cc(COc2ccc(N)cc2)nn1	881366308	CGLUYFNAQWQQAE-NEPJUHHUSA-N	288.351	1.864	10	20	CDCD	
CCN1C[C@@H](C)N(C(=O)c2ccc(C)c(O)c2O)C[C@H]1C	781001866	QMVMLMUJYBWVGH-VXGBXAGGSA-N	292.379	1.961	10	20	CDCD	
CCNC(=O)N1CCN(Cc2cc(F)cc(F)c2O)CC1	893913543	UQJPJRYJYLEZEJ-UHFFFAOYSA-N	299.321	1.518	10	20	CDCD	
COC(=O)[C@](C)(CO)NCc1cc(Cl)ccc1O	894974111	AYFHPHCPQNOORC-LBPRGKRZSA-N	273.716	1.059	10	20	CDCD	
CCn1nccc1NC(=O)NCc1ccc(OC)cc1O	797640598	OMHXMHYJKWYJGF-UHFFFAOYSA-N	290.323	1.939	10	20	CDCD	
COc1ccc(CNC(=S)NCC(F)(F)F)c(O)c1	795031524	JTMCEDNCCQLAOM-UHFFFAOYSA-N	294.298	1.927	10	20	CDCD	
CCNC(=O)CN(CC)Cc1cccc(OC)c1O	133620137	PKKMSEOFEXJWCG-UHFFFAOYSA-N	266.341	1.359	10	20	CDCD	
Cc1ccc(O)c(CNS(=O)(=O)CCOC(C)C)c1	1328851447	NHGNARJAFHNJGW-UHFFFAOYSA-N	287.381	1.545	10	20	CDCD	
CCn1[nH]cnc1=N[C@@H](C)c1ccc(N(C)C)cc1	1337938252	CRCIKZVBWXJJKY-NSHDSACASA-N	259.357	1.959	10	20	CDCD	
COc1ccc(O)c(CN2CC[C@@H](CCN)C2)c1	723690186	NLVXHPAJIHYJQF-LLVKDONJSA-N	250.342	1.572	10	20	CDCD	
COC[C@H]1CCN(Cc2c(O)cccc2OC)C1	769403871	YAZRBBJRUOLIAE-NSHDSACASA-N	251.326	1.869	10	20	CDCD	
COCCO[C@@H]1C[C@@H](CO)CN(Cc2ccc(N)cc2)C1	1334774459	ILBJJZCUUUYWQJ-GDBMZVCRSA-N	294.395	1.115	10	20	CDCD	
Cc1c(CCC(=O)NCc2cccc(O)c2O)cnn1C	1348045990	GHRHGZLBGPUNFM-UHFFFAOYSA-N	289.335	1.389	10	20	CDCD	
Nc1ccc(CNC(=O)[C@H](O)C2CCCCC2)cc1	1342024010	ZDEKCMBZSWLQIN-CQSZACIVSA-N	262.353	1.826	10	20	CDCD	
CC(C)CN1CCC[C@H]1C(=O)NCc1ccc(O)c(O)c1	1353618294	LNRUWIGVRBCCHJ-ZDUSSCGKSA-N	292.379	1.834	10	20	CDCD	
NC[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccc(N)cc1	1357465172	ZZPORZJZKLQZMJ-JSGCOSHPSA-N	276.384	1.586	10	20	CDCD	
O=C(O)/C=C/c1ccc(N2CC(C(=O)O)C2)c([N+](=O)[O-])c1	1608660957	HKJINJFNDDJCOU-DUXPYHPUSA-N	292.247	1.213	10	20	CDCD	
CN(C)c1ccc([C@@H](N)CNC(=O)CCCCCO)cc1	1578424667	QTYQYLFXFQQPEP-HNNXBMFYSA-N	293.411	1.421	10	20	CDCD	
Nc1ccc(NC(=O)N2CC[C@@H]3NC(=O)CC[C@@H]3C2)cc1	160425163	JXRDJZUNWIVFKB-MFKMUULPSA-N	288.351	1.401	10	20	CDCD	
Cc1cc(=O)c(C(=O)NCc2ccccc2O)c[nH]1	230258113	FZZUJZTYGVRIQF-UHFFFAOYSA-N	258.277	1.319	10	20	CDCD	
CCC[C@](C)(NC(=O)c1cccc(O)c1O)C(=O)OC	126732195	JAHHAABMQFIXAD-AWEZNQCLSA-N	281.308	1.559	10	20	CDCD	
CN(C(=O)COC[C@H]1CCCO1)c1ccc(N)cc1	37274735	IMAWOMAAVZJBCI-CYBMUJFWSA-N	264.325	1.427	10	20	CDCD	
O=C1NCCCC[C@H]1N[C@H]1CCc2cccc(O)c21	295836056	FIIYROLPKQOHOW-NWDGAFQWSA-N	260.337	1.638	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@H]2CCC[C@H](N)C2)cc1	70577457	CEBYSDILFHCGAC-KBPBESRZSA-N	275.396	1.886	10	20	CDCD	
C[C@H](C[S@@](C)=O)N(C)Cc1cc(F)cc(F)c1O	708422248	LACSQRXJUBJOQT-NTCNTBNZSA-N	277.336	1.869	10	20	CDCD	
COc1cc(Cl)cc(CNCC(=O)N(C)OC)c1O	397539892	SUWIOLGKXOCYHS-UHFFFAOYSA-N	288.731	1.164	10	20	CDCD	
Cc1nccc(C(=O)N2CCOc3cc(N(C)C)ccc32)n1	173208011	UYULUPLLSVWUMI-UHFFFAOYSA-N	298.346	1.890	10	20	CDCD	
CCN(CCN)Cc1cc(Cl)cc(OC)c1O	305933002	DPPMJLCXAYOBPV-UHFFFAOYSA-N	258.749	1.835	10	20	CDCD	
C[C@H](CS(C)(=O)=O)NCc1cccc(Cl)c1O	124814781	ZXBRXVSLEMAAPC-MRVPVSSYSA-N	277.773	1.568	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)Cc1ccn(C)n1	182997615	CIFBAVCIDRDEOB-UHFFFAOYSA-N	286.379	1.687	10	20	CDCD	
COc1cccc(CNC(=O)c2cccc(F)n2)c1O	131478101	PCHRXSUFMYNUQU-UHFFFAOYSA-N	276.267	1.865	10	20	CDCD	
COC(=O)[C@H]1CN(Cc2ccc(N(C)C)c(F)c2)CCO1	131694279	CWHLUISAFXKJOE-CQSZACIVSA-N	296.342	1.266	10	20	CDCD	
COC(=O)C1(NC(=O)Cc2ccc(N)cc2)CCCCC1	237116692	PIJYAZITQCTRKX-UHFFFAOYSA-N	290.363	1.803	10	20	CDCD	
COC(=O)[C@]1(F)CCN(Cc2cccc(OC)c2O)C1	93887951	KWZAZIQDPZFULG-AWEZNQCLSA-N	283.299	1.488	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)[C@@H]1CCc2nccn2C1	364920501	ZERSGVMZWZDYAH-LLVKDONJSA-N	287.319	1.173	10	20	CDCD	
O=C1N[C@@H](c2cc(F)ccc2O)N2CCSC[C@@H]12	270761660	DMEBDHQURFVFQN-GXSJLCMTSA-N	268.313	1.077	10	20	CDCD	
C[C@@H](NC[C@@H](O)CN1CCCC1)c1cc(F)ccc1O	273405887	OJWPFFJYTBWPHU-DGCLKSJQSA-N	282.359	1.639	10	20	CDCD	
CN(C)c1ccc([C@@H]2NC(=O)CN2C)c(C(F)(F)F)c1	281191697	RJCNVFPZXIMVPM-GFCCVEGCSA-N	287.285	1.832	10	20	CDCD	
CO[C@@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)C1CC1	294326331	ASALBZPQBCPWLH-RRFAQUSLSA-N	277.320	1.652	10	20	CDCD	
CC[C@H](O)CN[C@@H](C)c1cc(C(=O)OC)ccc1O	293688728	NQHCZLZONIBVQU-ONGXEEELSA-N	267.325	1.600	10	20	CDCD	
C[C@@H]1COCC[C@H]1CNC(=O)c1cccc(O)c1O	804616881	DDMFVYMDKHFRHD-ZJUUUORDSA-N	265.309	1.500	10	20	CDCD	
CCN(C(=O)c1c[nH]nc1-c1cnn(C)c1)c1cnn(C)c1	655333210	GFDFYMFEXZMBBP-UHFFFAOYSA-N	299.338	1.210	10	20	CDCD	
O=C(NCc1ccc(N2CCCC2)cc1)[C@H](O)C1CC1	821841518	DJCZWEMRQVZZLE-OAHLLOKOSA-N	274.364	1.674	10	20	CDCD	
C[C@]1(C(=O)NCc2cc(Cl)ccc2O)CCNC1=O	824214152	YGQARIWQUZTUCA-ZDUSSCGKSA-N	282.727	1.188	10	20	CDCD	
CCN(CC)C[C@@H](C)NC(=O)c1cc(O)cs1	732279457	MGOXHXRBUJQUJR-SECBINFHSA-N	256.371	1.914	10	20	CDCD	
CO[C@@H]1CCC[C@H]1CNC(=O)Cc1ccc(N)cc1	831517238	ADZIARCKGUJSMD-GXTWGEPZSA-N	262.353	1.743	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H](C)C[C@H](C)N	831132640	FRSHOQCMDHBMNG-STQMWFEESA-N	292.427	1.986	10	20	CDCD	
Nc1ccc(CCNC(=O)[C@@H]2[C@@H]3CCC(=O)[C@H]32)cc1	911783673	XBUNMKAEHQFYDT-KWCYVHTRSA-N	258.321	1.153	10	20	CDCD	
C[C@@H](NC(=O)[C@@H]1CCCC(=O)N1C)c1ccccc1O	913763463	HDKMJGZXMVDRFE-PWSUYJOCSA-N	276.336	1.580	10	20	CDCD	
COc1cccc([C@H](C)NCCCN2CCOCC2)c1O	846138932	XXTFHLQSTKJDKJ-ZDUSSCGKSA-N	294.395	1.774	10	20	CDCD	
CC(C)OC(=O)CCNC(=O)Nc1ccc(N)cc1	841301827	DYQZWNIIYMQMKN-UHFFFAOYSA-N	265.313	1.732	10	20	CDCD	
C[C@H]1C[C@@H](C(=O)NCc2ccc(O)cc2O)CO1	910947693	JWGWMXUIEMLKKZ-WCBMZHEXSA-N	251.282	1.139	10	20	CDCD	
COc1cccc(CNC(=O)[C@@H](C)Cc2cnc[nH]2)c1O	847589699	MSSORAHVSRCSBA-JTQLQIEISA-N	289.335	1.619	10	20	CDCD	
CCO[C@H](CC)C(=O)N(CC(=O)O)Cc1ccccc1O	911485678	JXYDMJYHOMPYNK-CYBMUJFWSA-N	295.335	1.621	10	20	CDCD	
C[C@@H]1NCCC[C@@H]1NCc1cc2c(cc1O)OCO2	841065082	MNEGGOUWXKDVLD-ONGXEEELSA-N	264.325	1.351	10	20	CDCD	
CCOC(C)(C)CNC(=O)NCCc1ccc(N)cc1	841882938	AOQWZPPNHQZHDF-UHFFFAOYSA-N	279.384	1.926	10	20	CDCD	
COC[C@@H](CN[C@H](C)c1cc(C(=O)OC)ccc1O)OC	757636119	BGIVRQAAMNWMKL-ZYHUDNBSSA-N	297.351	1.491	10	20	CDCD	
CCCCCNC(=O)COC(=O)c1ccc(C)c(O)c1O	750619731	TVRLHXVHZLBSFV-UHFFFAOYSA-N	295.335	1.869	10	20	CDCD	
Cn1cc(/C=C\C(=O)N2CCSc3ccncc32)cn1	759471410	DCHWIDDOFRLEEC-IHWYPQMZSA-N	286.360	1.967	10	20	CDCD	
Cc1nnc(CN(C)C(=O)c2c(F)ccc(O)c2O)o1	857315648	SXGFMJCABRVIKL-UHFFFAOYSA-N	281.243	1.201	10	20	CDCD	
C[C@@H]1CN(C(=O)/C=C\c2cnn(C)c2)c2cccnc2O1	752864784	STOMAJQNKMICDM-ISALQUGTSA-N	284.319	1.642	10	20	CDCD	
COC[C@@H](C)CC(=O)NCc1cc(OC)ccc1O	755802575	DYPJFUSCOJCLPU-JTQLQIEISA-N	267.325	1.690	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)OCCN1CCCC1=O	759594039	DTYGVOHYIQEMDQ-XQRVVYSFSA-N	291.303	1.277	10	20	CDCD	
CCC[C@H](O)C(=O)C(=O)CC(C)(C)CC(=O)OCC	935947401	XIDPWKCVJCMMDL-JTQLQIEISA-N	272.341	1.655	10	20	CDCD	
CN(CCOCCO)Cc1cc(F)c(N(C)C)cc1F	862355930	JOJJGTIAZHQWFV-UHFFFAOYSA-N	288.338	1.472	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)c1ccc(NC2CC2)nc1	768914623	CILJHKJFXFYRHB-UHFFFAOYSA-N	299.330	1.997	10	20	CDCD	
O=C(O)COCCNCc1cc(Cl)cc(F)c1O	874043524	UNPHTDKHGBCJEU-UHFFFAOYSA-N	277.679	1.376	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NCCN2CCCC2=O)c1	875697529	YVGHPIBMQPOOFX-UHFFFAOYSA-N	291.351	1.122	10	20	CDCD	
COCCN1CC(=O)N(Cc2ccc(N(C)C)cc2)C1=O	777557834	PURBHRSWKROKKS-UHFFFAOYSA-N	291.351	1.163	10	20	CDCD	
C[C@@H](NC(=O)c1cccc(=O)n1C)c1ccc(N(C)C)cc1	773009708	QBUOECPZUWZLRN-GFCCVEGCSA-N	299.374	1.942	10	20	CDCD	
C[C@H](NC(=O)c1ccc[n+]([O-])c1)c1ccc(N(C)C)cc1	773021120	YLYWQWHUSPNMBG-LBPRGKRZSA-N	285.347	1.877	10	20	CDCD	
CCN1CCN(Cc2ccc(N(C)CC)cc2)CC1=O	773847628	OPVZRKGRTRFZCB-UHFFFAOYSA-N	275.396	1.807	10	20	CDCD	
O=C1N=C(N2CCOCC2)S/C1=C\c1ccc(F)nc1	777468571	SLWMPSRYRLLUNV-YFHOEESVSA-N	293.323	1.523	10	20	CDCD	
CN(Cc1cc(Cl)cc(F)c1O)[C@@H]1CCNC1=O	775744520	NLWYQTWHQNRDTA-SNVBAGLBSA-N	272.707	1.505	10	20	CDCD	
C[C@@H]1CCN2[C@H](C1)C(=O)N[C@H]2c1cc(F)cc(F)c1O	887329360	FSFGLOBAGHMZOF-TWPQKTAQSA-N	282.290	1.899	10	20	CDCD	
CC(C)OCC[C@@H](O)CN(C)Cc1ccccc1O	788274574	JDCPHAZHTOCKFL-CQSZACIVSA-N	267.369	2.000	10	20	CDCD	
COc1cc(C)cc(CN2CC[C@@H](C)[C@@H]2CO)c1O	894535229	XIDUTNCLMSYFAP-YPMHNXCESA-N	265.353	1.912	10	20	CDCD	
CC[C@@H](CCO)NCc1cc(C)cc(OC)c1O	894288940	GCIOCGWWBKLJPT-LBPRGKRZSA-N	253.342	1.960	10	20	CDCD	
CC[C@H](NCc1ccc(OC)c(OC)c1O)C(=O)NC	894790189	LPQNDJWIDDLJFO-JTQLQIEISA-N	282.340	1.024	10	20	CDCD	
CNC(=O)[C@]1(C)CCN(C(=O)c2cc(O)cs2)C1	798118470	ZSYCHVCTMLILCW-GFCCVEGCSA-N	268.338	1.052	10	20	CDCD	
CC[C@@H](CO)C(=O)NCc1ccc(OC)cc1O	794390038	FFUPPYHAKNWDBE-VIFPVBQESA-N	253.298	1.036	10	20	CDCD	
CCCNC(=O)CCNCc1cccc(OCC)c1O	45072017	NVTXAHWWQRSCEU-UHFFFAOYSA-N	280.368	1.797	10	20	CDCD	
CO[C@@H]1CC[C@H](NC(=O)NCCc2ccc(N)cc2)C1	1325324370	QPENVJFWVWRQFS-UONOGXRCSA-N	277.368	1.678	10	20	CDCD	
CCN(CCO)CCNCc1ccc(N2CCCC2)cc1	1320584527	UKVAFWNNROFVRH-UHFFFAOYSA-N	291.439	1.691	10	20	CDCD	
Cn1cncc1C1CCN(C(=O)Cc2ccc(N)cc2)CC1	1263330918	ZUIKTWQVYFTQSS-UHFFFAOYSA-N	298.390	1.951	10	20	CDCD	
O=C(NCc1cccc(O)c1O)C(F)(F)C(F)F	1347235123	SUYRFRJMHXHENA-UHFFFAOYSA-N	267.178	1.614	10	20	CDCD	
CN(C)[C@@H]1CCC[C@@H](NC(=O)NCc2ccc(N)cc2)C1	1262577384	OXRNLLGBYMOCAV-HUUCEWRRSA-N	290.411	1.941	10	20	CDCD	
C[C@H](NC[C@@H](O)C(F)(F)F)c1cc(C(=O)O)ccc1O	1609777745	DTIDJJJALUSETQ-QUBYGPBYSA-N	293.241	1.664	10	20	CDCD	
COc1ccc(O)c(CN2CCSC[C@@H](C(=O)O)C2)c1	1607277548	GOLWEAYUXJWVFI-NSHDSACASA-N	297.376	1.650	10	20	CDCD	
CN1CCN(Cc2cccc(Cl)c2O)C[C@H](C(=O)O)C1	1606244943	ULWXLGJGCAZUGM-LLVKDONJSA-N	298.770	1.494	10	20	CDCD	
CC1([C@@H](NCc2ccc3c(c2)CCO3)C(=O)O)CC1	1776514408	APLZEFLXBQKWDL-ZDUSSCGKSA-N	261.321	1.964	10	20	CDCD	
C[C@H](N)[C@H](C)NC(=O)NCc1cccc(Cl)c1O	1576104860	KESDUYQDNAECDH-YUMQZZPRSA-N	271.748	1.581	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)[C@@H]1CCCS1	158963328	RSVDCTWQUJJFSY-NSHDSACASA-N	253.323	1.610	10	20	CDCD	
C[C@H]1CCN[C@@H](C(=O)N(C)Cc2ccccc2O)C1	126751833	IMSVPCXNGRAMCW-WCQYABFASA-N	262.353	1.739	10	20	CDCD	
CC(C)C[C@@H](NCc1cc2c(cc1O)OCO2)C(=O)O	43434557	XTPLVZDYQYJZTO-SNVBAGLBSA-N	281.308	1.710	10	20	CDCD	
CN(C)C[C@H]1CCN(Cc2cc3c(cc2O)OCO3)C1	172507315	PNFLGFVMYKRWJT-LLVKDONJSA-N	278.352	1.504	10	20	CDCD	
Cc1ccc(O)c([C@@H](C)NCC(=O)NCC(F)F)c1	280941406	SMHYTDWMCXZXLT-SECBINFHSA-N	272.295	1.733	10	20	CDCD	
C[C@H]1[C@@H](NCc2cccc(F)c2O)CCS1(=O)=O	294003128	SWAFGMYNCCATAM-KWQFWETISA-N	273.329	1.197	10	20	CDCD	
Oc1c(F)cc(F)cc1CNCCN1CCCC1	708548742	JSXLKWKYERAAPY-UHFFFAOYSA-N	256.296	1.856	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@H]2NCC2(C)C)cc1	710018586	UMPUGWZXFUTRAT-CYBMUJFWSA-N	261.369	1.367	10	20	CDCD	
C[C@H](C(=O)O)N(C(=O)c1cccc(O)c1O)C1CC1	382949963	LJUWYAJOWSDNQE-SSDOTTSWSA-N	265.265	1.176	10	20	CDCD	
COc1cccc(O)c1CN1CC[C@H](C)[C@H](CN)C1	841100265	AEBCGSXZAGFICV-NWDGAFQWSA-N	264.369	1.818	10	20	CDCD	
C[C@H](NCCS(C)(=O)=O)c1ccc(F)cc1O	62747680	GNPHAHCZGATSET-QMMMGPOBSA-N	261.318	1.227	10	20	CDCD	
CCOCCO[C@@H](C)C(=O)N(C)Cc1ccccc1O	63767173	XJQAEDSZIYOJOB-LBPRGKRZSA-N	281.352	1.792	10	20	CDCD	
CC[C@@H](C)[C@@H](O)CNC(=O)NCc1ccc(N(C)C)cc1	264864291	PRWUZIPYZVSQGW-DOMZBBRYSA-N	293.411	1.959	10	20	CDCD	
COc1cccc(CN2CC[C@@H](n3cncn3)C2)c1O	364514569	XYEFSIPFAQXRTJ-GFCCVEGCSA-N	274.324	1.439	10	20	CDCD	
Cc1ccc(C(=O)N2CCC(O)CC2)c(O)c1O	271263742	KATRFABHQZPBQH-UHFFFAOYSA-N	251.282	1.003	10	20	CDCD	
COc1ccc(O)c(CN[C@@H]2CCO[C@]3(CCOC3)C2)c1	378452021	FYQFHEABFRCLSC-CZUORRHYSA-N	293.363	1.829	10	20	CDCD	
CNCCC(=O)NCc1ccc(N2CCCC2)cc1	285715339	DQFGSQCMSVKTFM-UHFFFAOYSA-N	261.369	1.513	10	20	CDCD	
CC1(CO)CCN(C(=O)c2c(F)ccc(O)c2O)CC1	295028466	VITLRIKIMOWCFF-UHFFFAOYSA-N	283.299	1.472	10	20	CDCD	
OC/C=C\CNCc1c(O)cccc1Br	717531412	HERAPUPAWBWXBT-UPHRSURJSA-N	272.142	1.793	10	20	CDCD	
Cc1ccc([C@@H](C)NCCCN2CCNCC2)c(O)c1C	817937518	XFKXXCBJLRXVRG-OAHLLOKOSA-N	291.439	1.955	10	20	CDCD	
C[C@@H](C[C@H]1COCCN1)NCc1ccc(N(C)C)c(F)c1	817898885	CCZYDYZHKDEHNO-JSGCOSHPSA-N	295.402	1.748	10	20	CDCD	
CON1CCC(NC(=O)c2ccc(C)c(O)c2O)CC1	817698552	XDYAYBYIPRJTIL-UHFFFAOYSA-N	280.324	1.162	10	20	CDCD	
CO[C@H]1COCC[C@H]1CNCc1cc2c(cc1O)OCO2	824710046	VPZSAPCILGULFA-BONVTDFDSA-N	295.335	1.262	10	20	CDCD	
CN(C)c1ccc(CN2CCC[C@@H]2C(=O)O)cc1F	820547905	NIZQHIFFPCBGRW-CYBMUJFWSA-N	266.316	1.941	10	20	CDCD	
COC(=O)c1cnc(S[C@H](C(=O)OC)C2CC2)s1	829681113	OAOUVSXNHZFNIT-QMMMGPOBSA-N	287.362	1.973	10	20	CDCD	
CC1(C(=O)NCc2ccc(N3CCCC3)cc2)CNC1	827008001	HPAUCGARKLRUTF-UHFFFAOYSA-N	273.380	1.513	10	20	CDCD	
C[C@@H](N)CC(=O)NCc1ccc(N2CCSCC2)cc1	827320692	MTKFHVDYLXWWEC-GFCCVEGCSA-N	293.436	1.593	10	20	CDCD	
CCN(CC)c1ccc(CNCC[N+](=O)[O-])cc1	905052207	NMSNHICRGKHDTF-UHFFFAOYSA-N	251.330	1.899	10	20	CDCD	
O=C1OCCN1C1CCN(Cc2ccccc2O)CC1	827741627	XZPSKVXOMZAPLQ-UHFFFAOYSA-N	276.336	1.809	10	20	CDCD	
O=C(O)C[C@@H]1CN(Cc2cc3c(cc2O)CCC3)CCO1	833220054	PZWOCLNWBVFRFF-CQSZACIVSA-N	291.347	1.556	10	20	CDCD	
Cc1nc(NC(=O)/C=C\c2ccc(O)c(O)c2)n[nH]1	588406731	OMCQPYQXAHACFF-HYXAFXHYSA-N	260.253	1.176	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H]2C(=O)OCC2(C)C)c(O)c1O	837639270	XCVCXDJKYRQURG-LLVKDONJSA-N	279.292	1.088	10	20	CDCD	
Cc1ccc(C(=O)OCCCN2CCCC2=O)c(O)c1O	733475999	JJMLFJVDUZIKRD-UHFFFAOYSA-N	293.319	1.576	10	20	CDCD	
C[C@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1)C(=O)O	737689534	JVTHCELOBPUVSB-RYUDHWBXSA-N	278.352	1.647	10	20	CDCD	
COc1cccc(CNC(=O)O[C@@H]2CCOC2)c1O	914152554	FHPBWTVLINDZHR-SNVBAGLBSA-N	267.281	1.416	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)[C@@H]1CC12CCOCC2	910951890	XPDHPKBEHUJXMD-LBPRGKRZSA-N	277.320	1.531	10	20	CDCD	
CCN1CCCN(C(=O)c2ccc(C)c(O)c2O)[C@@H](C)C1	910285709	ZNLDGYRGLSSPRS-LBPRGKRZSA-N	292.379	1.963	10	20	CDCD	
CN1CCN(c2ccc(CN(C)[C@H]3CCNC3)cc2)CC1	843048941	BERNZKRFZLJUPH-KRWDZBQOSA-N	288.439	1.232	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)NCCC1=CCNCC1	841984859	INCKXBBRGZLEIX-UHFFFAOYSA-N	289.379	1.843	10	20	CDCD	
Cn1nc2c(c1C(=O)Nc1ccc(N)cc1)CCC2	911659850	FRQZJVLUUDAOAG-UHFFFAOYSA-N	256.309	1.743	10	20	CDCD	
CCc1cccc(CN2CCN(C[C@H](C)O)C[C@H]2C)c1O	848907888	KGSGNHUQWFKLPY-KGLIPLIRSA-N	292.423	1.842	10	20	CDCD	
CN(Cc1c(O)ccc(Cl)c1F)[C@H]1CCNC1	843049360	LNSUVXPCUCRKCZ-QMMMGPOBSA-N	258.724	1.978	10	20	CDCD	
C[C@H](N)[C@H]1CN(Cc2c(O)ccc(Cl)c2F)CCO1	843056786	ZSYZTVSYIWSLCJ-QPUJVOFHSA-N	288.750	1.733	10	20	CDCD	
CNCCCNCc1cc(OC)c(OC)cc1O	841041098	CURSTKKPRLDJNY-UHFFFAOYSA-N	254.330	1.109	10	20	CDCD	
CC[C@@H](NC[C@H](O)Cn1ccnn1)c1ccc(F)cc1O	840803724	UTGVYRHMAKXBGV-WCQYABFASA-N	294.330	1.225	10	20	CDCD	
CCOc1ccc(O)c(CNCC[C@H]2CCNC2)c1	841037901	ZUTOVRPJWMQQIK-GFCCVEGCSA-N	264.369	1.880	10	20	CDCD	
COC/C=C\C(=O)N(C)CCN(C)c1ccc(OC)cc1	846441862	FDLRKLGHJHMOQL-WAYWQWQTSA-N	292.379	1.792	10	20	CDCD	
CC(C)OCCNC(=O)NCCc1ccc(N)cc1	841878432	YFXJLRWRARXTGM-UHFFFAOYSA-N	265.357	1.536	10	20	CDCD	
CCOCCOCCOC(=O)c1ccc(C)c(O)c1O	922401008	DFFQNDANLPZZIK-UHFFFAOYSA-N	284.308	1.616	10	20	CDCD	
CC[C@@H](C)NC(=O)CN(CC(=O)O)c1ccc(OC)cc1	853007108	PBVJMTLCMIHLJV-LLVKDONJSA-N	294.351	1.501	10	20	CDCD	
COc1ccc2c(c1)CCCN2CC(=O)Nc1cnccn1	851722846	RQZQQHZWULNVRI-UHFFFAOYSA-N	298.346	1.877	10	20	CDCD	
COc1cccc(CNC(=O)c2ccc3nc[nH]c3n2)c1O	755529504	IDVGJMGILQBUTE-UHFFFAOYSA-N	298.302	1.602	10	20	CDCD	
C[C@H](NCCN1CC[C@@H](O)C1)c1ccc(F)cc1O	858548464	MHPZTFQPPDFMJN-CMPLNLGQSA-N	268.332	1.249	10	20	CDCD	
COc1cccc(O)c1CN1CC(=O)N[C@@H]2CCCC[C@@H]21	769193354	XZRRWVFGAXPYMH-OLZOCXBDSA-N	290.363	1.644	10	20	CDCD	
COc1cccc(O)c1CN1CCC[C@H]1c1nncn1C	769525333	TWJANHSPLIQKLY-LBPRGKRZSA-N	288.351	1.866	10	20	CDCD	
Cc1cc(C(=O)NCCc2ccc(O)c(O)c2)c(C)nn1	767155541	MCMMGZIHQMRVDT-UHFFFAOYSA-N	287.319	1.477	10	20	CDCD	
C[C@H](CO)NC(=O)N[C@H](C)c1ccc(N(C)C)cc1	776244773	FTPJKURKWNDNNZ-GHMZBOCLSA-N	265.357	1.494	10	20	CDCD	
CN(C)c1ccc(Cn2cc(CN3CCCC3=O)nn2)cc1	881272554	ZMAVTYJHJQISAP-UHFFFAOYSA-N	299.378	1.515	10	20	CDCD	
COCC[C@]1(NC(=O)c2cccc(O)c2O)CCOC1	773343397	WVILWNJEWHOGKD-AWEZNQCLSA-N	281.308	1.023	10	20	CDCD	
COCCOC[C@@H](C)NC(=O)c1ccc(C)c(O)c1O	780952376	ZDXNEGDNKZXDHE-SNVBAGLBSA-N	283.324	1.188	10	20	CDCD	
COC(=O)N[C@H](C(=O)NCc1ccc(N)cc1)C(C)C	1122444647	FZDMHLKTVMETQS-LBPRGKRZSA-N	279.340	1.266	10	20	CDCD	
COc1ccc(O)c(CN(C)[C@@H]2CCS(=O)(=O)C2)c1	132406729	MLAYHZZUZAZNBU-LLVKDONJSA-N	285.365	1.020	10	20	CDCD	
COc1ccc(CN(CCO)C(C)C)c(O)c1OC	891485789	UNMULGFEBJTMRK-UHFFFAOYSA-N	269.341	1.612	10	20	CDCD	
COc1ccc(CN(CC(N)=O)C(C)C)c(O)c1OC	891486511	LSBWCLHSEMZERL-UHFFFAOYSA-N	282.340	1.105	10	20	CDCD	
CC1=NO[C@H](CNCc2ccc(N3CCOCC3)cc2)C1	895311057	NTPUOMVYIPXFSE-INIZCTEOSA-N	289.379	1.778	10	20	CDCD	
Cc1nc([C@@H]2CCN(Cc3ccccc3O)C2)n[nH]1	895007537	FABVKUSNNJCJIS-GFCCVEGCSA-N	258.325	1.808	10	20	CDCD	
COc1cc(C)cc(CN[C@@H](C)C(=O)N(C)OC)c1O	895413539	GCMRSWDTHZCAPW-JTQLQIEISA-N	282.340	1.207	10	20	CDCD	
CCc1cc(C(=O)NCc2cccc(OC)c2O)no1	896118670	ZFIMGWFJAGVFHU-UHFFFAOYSA-N	276.292	1.881	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N2CCC[C@@H](O)C2)cc1	31726444	PTLSNTGFSBANBZ-CQSZACIVSA-N	277.368	1.419	10	20	CDCD	
Nc1ccc(CC(=O)N2CCO[C@H](C(F)(F)F)C2)cc1	698755211	VVVABGXDXSLVRK-NSHDSACASA-N	288.269	1.601	10	20	CDCD	
COc1cccc(CN[C@@H]2CCN(C)[C@@H](C)C2)c1O	90721538	JLYQHVNTVKHADE-WCQYABFASA-N	264.369	1.973	10	20	CDCD	
NC[C@@H]1CN(Cc2ccc(N3CCCC3)cc2)CCO1	1261482270	HAASLPNJYLCEKR-MRXNPFEDSA-N	275.396	1.446	10	20	CDCD	
O=C(NCc1c(O)cccc1F)N[C@@H]1CC=C(C(=O)O)C1	1608464531	XCYNTFWGVLCGRT-SECBINFHSA-N	294.282	1.504	10	20	CDCD	
O=C(O)[C@@H]1[C@@H](O)CCCN1Cc1cc(F)c(F)cc1O	1608597767	YQNZDFINMRJWRL-JQWIXIFHSA-N	287.262	1.080	10	20	CDCD	
O=C(O)C1(C(=O)N2Cc3cccc(O)c3C2)CCOCC1	1605916863	FCBBDCQYXZADFM-UHFFFAOYSA-N	291.303	1.116	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CC[C@@]2(C(=O)O)CCC[C@@H]12	1602626974	WRGYOCMYQSZJKX-ABAIWWIYSA-N	291.303	1.567	10	20	CDCD	
O=C(O)[C@@H]1CN(Cc2ccc(N3CCCC3)cc2)CCO1	1594951845	PXOITOJSCWNTTH-HNNXBMFYSA-N	290.363	1.572	10	20	CDCD	
COc1ccc(N(C)Cc2cc(-c3nn[nH]n3)ccn2)cc1	1591606667	UQFKTDIOOXULRU-UHFFFAOYSA-N	296.334	1.907	10	20	CDCD	
CN(C)c1ccc(CNC(=O)Nc2ncnn2C)cc1F	161690276	PBBGTLCVCHUJLM-UHFFFAOYSA-N	292.318	1.342	10	20	CDCD	
COCC[C@@H](C)CNC(=O)c1cccc(O)c1O	839811518	QJQSKBDIEPDWSO-SECBINFHSA-N	253.298	1.500	10	20	CDCD	
C[C@H](NCc1ncnn1C)c1ccc(N(C)C)cc1	152953311	SNACPDVJCMLFOT-NSHDSACASA-N	259.357	1.732	10	20	CDCD	
C[C@H]1NCCC[C@H]1C(=O)NCc1ccc(N(C)C)cc1	290302372	NPXYMCLHHZUGCZ-IUODEOHRSA-N	275.396	1.757	10	20	CDCD	
C[C@@H]1CCC[C@@]1(O)CNCc1cc2c(cc1O)OCO2	292969181	KCIOQQXZFUUKGF-MEBBXXQBSA-N	279.336	1.762	10	20	CDCD	
CC(=O)c1cc(Cl)cc(CN2C[C@H](O)[C@@H](CO)C2)c1O	316455115	OTAWPCURNPWMGP-MFKMUULPSA-N	299.754	1.033	10	20	CDCD	
C[C@@H]1CS(=O)(=O)C[C@@H]1NCc1ccc2c(c1)CCO2	711727568	RZPQPSVFTJQLFQ-MFKMUULPSA-N	281.377	1.144	10	20	CDCD	
CC[C@@H](NCc1c(O)cccc1Cl)C(=O)NC	697828786	ZAHOVSUCSGMKJR-SNVBAGLBSA-N	256.733	1.660	10	20	CDCD	
CCCCOCC(=O)NCc1cc(OC)ccc1O	118496275	FCLZSGBCKRLOFF-UHFFFAOYSA-N	267.325	1.834	10	20	CDCD	
O=C(NCc1c(O)ccc2c1CCCC2)c1cn[nH]c1	174510710	ATQKKSAWVURRLS-UHFFFAOYSA-N	271.320	1.924	10	20	CDCD	
CC(C)n1nccc1C(=O)NCCc1ccc(O)c(O)c1	122923289	ZUGNNVAAWWLKDW-UHFFFAOYSA-N	289.335	1.848	10	20	CDCD	
CC1=C(C(=O)NCCc2ccc(O)c(O)c2)CCCO1	122215244	LVBWIEXLVQJQKL-UHFFFAOYSA-N	277.320	1.841	10	20	CDCD	
CCNC(=O)CN(CC)Cc1cc(C)c(C)cc1O	121254896	CUOGORPMMQGTAX-UHFFFAOYSA-N	264.369	1.967	10	20	CDCD	
CCOc1ccc(O)c(CN2CCC[C@@H]2C(=O)N(C)C)c1	122746532	LUDWWFMWMFWPOV-CQSZACIVSA-N	292.379	1.844	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC[C@H](O)COC(C)C)c1	182362548	OQDIAKRQDPBGIU-NEPJUHHUSA-N	283.368	1.837	10	20	CDCD	
C[C@@H]1CN(c2ccc(CNC(N)=O)cc2F)C[C@@H](C)O1	77631442	YQGPIAJAQGGODA-NXEZZACHSA-N	281.331	1.608	10	20	CDCD	
C[C@@]1(N)CCCC[C@@H]1C(=O)NCCc1ccc(N)cc1	263196330	IKTHLFWXDNJFDT-GDBMZVCRSA-N	275.396	1.835	10	20	CDCD	
CCOC(=O)CC(=O)N[C@H](C)Cc1ccc(O)c(O)c1	274944462	QHKGNFSUNQAXEJ-SECBINFHSA-N	281.308	1.098	10	20	CDCD	
CN(C)c1ccc(CNCC(F)(F)CO)cc1F	274282487	VSZKTLZMCGCYNA-UHFFFAOYSA-N	262.275	1.609	10	20	CDCD	
COc1ccc(O)c(CN(CCO)C2CCC2)c1	275945560	IUFZJLHOUXTFMT-UHFFFAOYSA-N	251.326	1.748	10	20	CDCD	
CS[C@H](CO)[C@H](C)NC(=O)/C=C/c1ccc(O)c(O)c1	272583208	FDAIUZHWVVOHFY-YWVMRYDCSA-N	297.376	1.340	10	20	CDCD	
CCN(C)S(=O)(=O)Nc1cc(Cl)c(O)cc1F	288234798	NSVVKMWOMQOYCA-UHFFFAOYSA-N	282.724	1.793	10	20	CDCD	
COc1cc(Cl)cc(CN(C)[C@H](C)CO)c1O	289393876	FKIMJDQYKNHADL-MRVPVSSYSA-N	259.733	1.867	10	20	CDCD	
CC[C@H](NCCS(=O)(=O)NC)c1ccc(F)cc1O	287398879	JBLIZNMOEUWTOU-NSHDSACASA-N	290.360	1.121	10	20	CDCD	
C[C@H](O)CN1CCN(Cc2ccccc2O)[C@@H](C)C1	284332136	KUHHIEJUGIUWPL-STQMWFEESA-N	264.369	1.279	10	20	CDCD	
CO[C@@H](C)CCNC(=O)c1c(F)ccc(O)c1O	295371454	WSVXUMHFGPYBGI-ZETCQYMHSA-N	257.261	1.392	10	20	CDCD	
COc1nnccc1NC(=O)NCc1ccccc1O	808901360	DJNHOASOOJCJJO-UHFFFAOYSA-N	274.280	1.513	10	20	CDCD	
COc1ccc(COC(=O)c2cccc(O)c2O)nn1	801311069	FCEHPZTZNQXEEB-UHFFFAOYSA-N	276.248	1.253	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC[C@H](O)CN(C)C1CC1	819076734	FDGALILYEQVLFH-KRWDZBQOSA-N	291.439	1.606	10	20	CDCD	
CCCOc1ccccc1NC[C@H](O)C[C@]1(O)CCOC1	905301749	SCCJRFRLBXPEMX-CZUORRHYSA-N	295.379	1.790	10	20	CDCD	
COC[C@H]1COCCN1Cc1cc2c(cc1O)CCC2	902563089	JHPBVUDVAWIXLH-HNNXBMFYSA-N	277.364	1.728	10	20	CDCD	
CC[C@@H](NC(=O)c1c(F)ccc(O)c1O)C(OC)OC	839743120	UNGQNLRDAOKGSY-MRVPVSSYSA-N	287.287	1.364	10	20	CDCD	
CCC[C@H](NC(=O)c1ccc(C)c(O)c1O)C(=O)O	833649502	XIECMFBPVQFSQD-VIFPVBQESA-N	267.281	1.389	10	20	CDCD	
O=C1NCCC[C@@H]1CNCc1c(O)ccc(Cl)c1F	839195024	FELHMQYTSSWKAK-MRVPVSSYSA-N	286.734	1.801	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@@H]2CC[C@@H]2C(=O)O)c1	911386923	KDDSUYPLPKMXFW-MNOVXSKESA-N	279.292	1.128	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN[C@H](C)C[S@@](C)=O	840938760	GSLKAGLXTZSSIP-KZULUSFZSA-N	268.426	1.918	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)N[C@H]2CCNC2)cc1	841718858	CZXLIIHPYZAMKB-AWEZNQCLSA-N	290.411	1.694	10	20	CDCD	
CCOc1ccc(O)c(CN2CC[C@@H](CNC)C2)c1	843052975	RJUHIHVXTWAZJB-LBPRGKRZSA-N	264.369	1.832	10	20	CDCD	
C[C@@H](C(=O)NCc1ccc(O)c(O)c1)C(=O)OC(C)(C)C	840403212	RYLFIWXCPWVJEJ-VIFPVBQESA-N	295.335	1.692	10	20	CDCD	
Cc1cc(C)c(O)c(CN2[C@H]3CC[C@H]2CC(=O)NC3)c1	754735842	DMCBYAMGSMPWER-KBPBESRZSA-N	274.364	1.862	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)N[C@@H](C)[C@H]2CCOC2)c1	858251381	WGPLFCNXVINGNX-RYUDHWBXSA-N	278.352	1.925	10	20	CDCD	
CCOC(=O)C1=NN(c2ccc(OC)cc2)C(=O)[C@@H]1C	871946411	BPVSIGMVUDBESW-SECBINFHSA-N	276.292	1.597	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)c1cc(O)n(C)n1	857467302	ZBXCTMAKLGVYBZ-UHFFFAOYSA-N	261.281	1.104	10	20	CDCD	
OC[C@H]1C[C@H](NCc2ccc(N3CCOCC3)c(F)c2)C1	923008864	YWZHKCMTTOONCV-HDJSIYSDSA-N	294.370	1.523	10	20	CDCD	
COc1ccc(CNC(=O)[C@H]2CCCN2C(C)C)c(O)c1	935770979	MYCLYFUSVZHLTP-CQSZACIVSA-N	292.379	1.890	10	20	CDCD	
C[C@@H](NC(=O)NCC(=O)NCC1CC1)c1ccccc1O	868482834	SDTOQVVQQZFMSC-SNVBAGLBSA-N	291.351	1.279	10	20	CDCD	
Cc1ccc(O)c(CN2CCN(C[C@@H]3CCCO3)CC2)c1	768193269	ZUYGEUQQGHHCAZ-INIZCTEOSA-N	290.407	1.997	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)/C=C\[C@@H]2CCOC2)c1	862755287	QASLZYKZOUIFNB-KTLBGCOUSA-N	261.321	1.910	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)Nc1nccn2cnnc12	762800231	OOJDAKTXWWOPPT-VIFPVBQESA-N	285.307	1.579	10	20	CDCD	
COc1ccc(O)c(CNC[C@@H](OC)C2CCOCC2)c1	877034983	AOSHAKNAUVWMDA-MRXNPFEDSA-N	295.379	1.932	10	20	CDCD	
COCC[C@]1(NCc2cccc(OC)c2O)CCOC1	775033127	KZCAGXUOTHYQNC-HNNXBMFYSA-N	281.352	1.686	10	20	CDCD	
Cc1cccc(O)c1CNCCCO[C@@H]1CCOC1	877087217	IJYDHNMHBIKQCH-CYBMUJFWSA-N	265.353	1.986	10	20	CDCD	
CN[C@H](CC(C)(C)C)C(=O)NCc1ccc(N)cc1	1122445432	RWFIWICJWJJCSG-CYBMUJFWSA-N	263.385	1.909	10	20	CDCD	
Nc1ccc(OCc2cn(CCOCC3CC3)nn2)cc1	881306129	SHLOOHIYYFQADF-UHFFFAOYSA-N	288.351	1.866	10	20	CDCD	
C[C@@H](NCCCN1CCN(C)CC1)c1c(O)cccc1F	886493495	NWVLWQHSPMEABV-CYBMUJFWSA-N	295.402	1.819	10	20	CDCD	
COc1ccc(O)c(CN2C[C@H]3CN(C(C)=O)C[C@H]3C2)c1	895576824	SHXYNDLPMOFDAQ-OKILXGFUSA-N	290.363	1.311	10	20	CDCD	
COc1ccc(CNC(=O)CCCn2cncn2)c(O)c1	794378391	GFKKWYUDSGCZBD-UHFFFAOYSA-N	290.323	1.089	10	20	CDCD	
CN[C@H](C)CCNC(=O)NCc1ccc(N(C)C)cc1C	1326132838	LTMCZZZBEDFXPH-CYBMUJFWSA-N	292.427	1.858	10	20	CDCD	
CC[C@@H](CCO)CNCc1cc(OC)ccc1O	94949757	UCGYDWKDKCSMDJ-NSHDSACASA-N	253.342	1.899	10	20	CDCD	
Nc1ccc(CN2CCN(CC(F)(F)F)CC2)cc1	61940705	RXQZRZRONIBKLE-UHFFFAOYSA-N	273.302	1.949	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](C)CNC	92134360	WGPNHXHQHRWOPE-CYBMUJFWSA-N	277.412	1.957	10	20	CDCD	
CC[C@]1(C(=O)NCc2c(O)cccc2F)CCNC1	1342538128	XCPMFMCOFJSUCF-AWEZNQCLSA-N	266.316	1.537	10	20	CDCD	
Cc1cc(C(=O)O)nc(N(C)Cc2ccccc2O)n1	1600125358	NMQYKQCKBCKFAM-UHFFFAOYSA-N	273.292	1.825	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC[C@@]2(O)CCCNC2)c1	1574034096	WOIHCADFVKUBIW-IAQYHMDHSA-N	280.368	1.166	10	20	CDCD	
C[C@H](N[C@H](C)c1cc(C(=O)O)ccc1O)C(C)(C)O	1593353497	YLCONDVUKSDWMS-BDAKNGLRSA-N	267.325	1.900	10	20	CDCD	
CC(C)c1ccc(O)c(CN2C[C@H](O)C[C@@H]2C(=O)O)c1	1591973609	DIKQIMNPADNBOY-CHWSQXEVSA-N	279.336	1.535	10	20	CDCD	
COc1ccnc(C(=O)NCc2ccc(O)c(O)c2)c1	158924155	UQJIEYXTOIDFOQ-UHFFFAOYSA-N	274.276	1.431	10	20	CDCD	
COc1cc(O)c(CN(C)C[C@H]2CCOC2)cc1OC	160362965	YCMDDCPVMURFIC-LLVKDONJSA-N	281.352	1.878	10	20	CDCD	
COCCCNC(=O)CN(C)c1ccc(OC)cc1	844353091	GIDXXPGOTUBHAZ-UHFFFAOYSA-N	266.341	1.284	10	20	CDCD	
CC(C)NC(=O)CN1CCCc2cc(CN)ccc21	62801560	NZXXGRJLAIDUMZ-UHFFFAOYSA-N	261.369	1.423	10	20	CDCD	
C[C@@H]1[C@@H](N(C)C)CCN1C(=O)c1cccc(O)c1O	312049300	WMBICONETCZDRN-KOLCDFICSA-N	264.325	1.262	10	20	CDCD	
C[C@H]1C(=O)NCCN1Cc1cccc(Cl)c1O	179921099	FECBECRXNVTVDG-QMMMGPOBSA-N	254.717	1.366	10	20	CDCD	
C[C@@H]1CCCN(CCNC(=O)c2cccc(O)c2O)C1	186939537	NTBMYUIPWUXVBO-LLVKDONJSA-N	278.352	1.560	10	20	CDCD	
CCOc1cccc(CN2CCOC[C@@H]2CC(=O)O)c1O	130058710	WSMCDRAOIAIMNS-LBPRGKRZSA-N	295.335	1.466	10	20	CDCD	
CC(C)CNC(=O)NC(=O)CSc1nccs1	48874391	HIHSITXIXVYZJM-UHFFFAOYSA-N	273.383	1.717	10	20	CDCD	
C[C@@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)S(C)(=O)=O	47797523	XQDFIMRWCFGJFY-NSHDSACASA-N	298.408	1.144	10	20	CDCD	
COc1ccc(N2CCN(c3cc(F)ncn3)CC2)cc1	149925533	RHRHYZAWSUHEAL-UHFFFAOYSA-N	288.326	1.951	10	20	CDCD	
CN(Cc1ccccc1O)S(=O)(=O)CCCF	269861475	YXSLSGFKTXDMTO-UHFFFAOYSA-N	261.318	1.513	10	20	CDCD	
CCOC(=O)CC(=O)N(C)Cc1ccccc1O	269157927	RHAYXRABZIEALY-UHFFFAOYSA-N	251.282	1.304	10	20	CDCD	
CCOC[C@@H]1CCN(C(=O)c2c(F)ccc(O)c2O)C1	276571067	NEACXWSPWUMDJT-SECBINFHSA-N	283.299	1.736	10	20	CDCD	
COc1cccc(CN2CC[C@](O)(C3CC3)C2)c1O	369676207	MTSSDOPHJTYJDP-OAHLLOKOSA-N	263.337	1.748	10	20	CDCD	
C[C@@H](CN1CCOCC1)N(C)Cc1cc(F)ccc1O	279479611	TXDWGFRQQAXZBY-LBPRGKRZSA-N	282.359	1.684	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCCC(=O)N1	270325544	WFVYIKCSMSPOBG-AWEZNQCLSA-N	289.379	1.380	10	20	CDCD	
Cc1c(/C=C/C(=O)N2C[C@@H](O)Cc3ccccc32)cnn1C	279453991	DPMUFZHHJNPZEW-KIUWMYQTSA-N	297.358	1.692	10	20	CDCD	
CN(C)c1ccc(CNC[C@H](CO)[C@H]2CCOC2)cc1F	280335440	QSYYPVJJOSAQIS-UONOGXRCSA-N	296.386	1.626	10	20	CDCD	
CCOc1cccc(CN2CC(=O)N(CCOC)C2)c1O	282992878	KDLALHOAQWEETD-UHFFFAOYSA-N	294.351	1.039	10	20	CDCD	
COc1cccc(CN2CCC(F)(F)[C@H](CO)C2)c1O	291277232	OHDVDQDUEVGVRJ-NSHDSACASA-N	287.306	1.850	10	20	CDCD	
Cc1cc(C)c([C@H](C)NC[C@@H]2CNCCO2)c(O)c1	817982528	DUHKMIMRXAONCC-STQMWFEESA-N	264.369	1.648	10	20	CDCD	
O=C(O)CCCCCNC(=O)NCc1ccccc1O	819401264	QWUURNZVDYHFJV-UHFFFAOYSA-N	280.324	1.836	10	20	CDCD	
C[C@@H](NCc1ccc(N2CCOCC2)cc1)[C@H]1CCCN1	817895838	WVIWSHHLLDLPOF-RHSMWYFYSA-N	289.423	1.753	10	20	CDCD	
Cc1cc(O)c(CN[C@@H]2CCS(=O)(=O)C2)cc1Cl	824477765	FHQLFXZFDAPGGK-SNVBAGLBSA-N	289.784	1.631	10	20	CDCD	
COc1ncc(/C=C\C(=O)N(C)c2ccnc(C)c2)cn1	492743390	VMTTXWUQDQVMML-PLNGDYQASA-N	284.319	1.865	10	20	CDCD	
C[C@]1(C(=O)O)CCN(Cc2cc3c(cc2O)OC[C@@H]3O)C1	833554044	MPZDNGSCXGLQNE-WFASDCNBSA-N	293.319	1.115	10	20	CDCD	
Cc1nc(CC(=O)N(C)Cc2ccccc2O)n[nH]1	830141234	PJACPMZKKJRBSA-UHFFFAOYSA-N	260.297	1.020	10	20	CDCD	
CN(C)c1ccc(CNC(=O)C23CC(C(=O)O)(C2)C3)cc1	911118820	CPLFCQXTZJPGPY-UHFFFAOYSA-N	288.347	1.624	10	20	CDCD	
NC1(CNCc2cc3c(cc2O)OCO3)CCCCC1	841039486	RCMXVTDVLXMPNC-UHFFFAOYSA-N	278.352	1.872	10	20	CDCD	
CC1(C)NCC[C@@H]1NCc1ccc(N2CCOCC2)cc1	841087328	UVKHKDKBKQBVAI-INIZCTEOSA-N	289.423	1.753	10	20	CDCD	
Cc1cc(CN2CCO[C@H](C(=O)O)C2)ccc1N(C)C	846272501	PLPINUQEZOLKNJ-AWEZNQCLSA-N	278.352	1.346	10	20	CDCD	
CCN(C)c1ccc(CN(C)CC(=O)N(C)C)cc1	741752930	JFUUHTWNQUAULV-UHFFFAOYSA-N	263.385	1.663	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN(CC(N)=O)C(C)C	840910588	SLNHGVMZRZLJEV-UHFFFAOYSA-N	263.385	1.757	10	20	CDCD	
C[C@@H](CCCCO)NC(=O)NCCc1ccc(N)cc1	841955976	SWHCSCICEURKGX-LBPRGKRZSA-N	279.384	1.662	10	20	CDCD	
CCOc1ccc(CN2CC[C@@]3(CCNC3)C2)c(O)c1	843120843	WQQGMOATMXXJPU-MRXNPFEDSA-N	276.380	1.976	10	20	CDCD	
COC/C(C)=C\C(=O)NCc1ccc(O)c(O)c1	845834455	OVFSXTRZKSTLPQ-UITAMQMPSA-N	251.282	1.307	10	20	CDCD	
C[C@H](N[C@@H]1CCOC[C@H]1O)c1ccc(Cl)cc1O	858551625	KVSCKVBMTBSYFA-RLCGTCKNSA-N	271.744	1.846	10	20	CDCD	
CCOc1ccc(CN(C)CCCC(=O)NC)c(O)c1	769505903	QMEPIBFNWSSVAL-UHFFFAOYSA-N	280.368	1.749	10	20	CDCD	
CCCn1cc(C(=O)NCc2ccccc2O)nn1	767087757	HFCKCJSEKSVXKI-UHFFFAOYSA-N	260.297	1.324	10	20	CDCD	
Oc1cc2c(cc1CN1CCOC3(CCC3)C1)[C@@H](O)CO2	768464587	CKZPGDNGPXDDQG-AWEZNQCLSA-N	291.347	1.573	10	20	CDCD	
C[C@H]1Cc2cc(N3CCNCC3)ccc2N(C)C1=O	71476986	UHEPMITZEZXYIN-NSHDSACASA-N	259.353	1.251	10	20	CDCD	
Cc1ccc(O)c(CNC2CCS(=O)(=O)CC2)c1	71407139	RQQBPMNOLWCFCR-UHFFFAOYSA-N	269.366	1.367	10	20	CDCD	
CCOC(=O)C1=NN(c2cccc(C(=O)O)c2)C(=O)[C@H]1C	871948745	BCJKBAUZZSTZBG-QMMMGPOBSA-N	290.275	1.287	10	20	CDCD	
CC(C)(CO)CNCc1ccc(N2CCC(O)CC2)cc1	877116983	FFEOWTBHRFBPPV-UHFFFAOYSA-N	292.423	1.756	10	20	CDCD	
C[C@H](NC(=O)N[C@H](C)CCO)c1ccc(N(C)C)cc1	776144176	OEPWBGSWFIMXTR-NEPJUHHUSA-N	279.384	1.884	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNCC2(CO)CC2)c1O	775030936	XIEMVWPRLGBTEI-UHFFFAOYSA-N	282.296	1.171	10	20	CDCD	
O=C(CCCn1cccn1)NCc1ccc(O)c(O)c1	778927223	LXYZUHKOLXPZCP-UHFFFAOYSA-N	275.308	1.391	10	20	CDCD	
Oc1ccc(-c2csc(CN3CCNCC3)n2)cc1O	1120851481	IGXSJUQTIRAZAM-UHFFFAOYSA-N	291.376	1.627	10	20	CDCD	
CCn1nncc1CNCc1cc(F)cc(F)c1O	883184614	AKZQCJIPUSCUDU-UHFFFAOYSA-N	268.267	1.572	10	20	CDCD	
Cc1cc(O)c(CN[C@H]2C(=O)NCC2(C)C)cc1C	895315665	IOJMQCHKHGHLCU-ZDUSSCGKSA-N	262.353	1.623	10	20	CDCD	
COC(=O)[C@@H](CC(F)F)NCc1cccc(C)c1O	789580775	KSVLDIKPVTYJJH-SNVBAGLBSA-N	273.279	1.987	10	20	CDCD	
COC[C@H]1C[C@@H](O)CN1Cc1cc(F)cc(F)c1O	895136268	DIISHSWKRMXOLY-GHMZBOCLSA-N	273.279	1.252	10	20	CDCD	
C[C@H](NCCN1CCNC1=O)c1cc(F)ccc1O	886744646	COCJRMJNNOQFBN-VIFPVBQESA-N	267.304	1.207	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)c1ccc2cncn2c1	786393394	PQAXPYJOPAXWGR-UHFFFAOYSA-N	297.314	1.718	10	20	CDCD	
COc1ccc(CN(C)Cc2cnn(C)c2)c(O)c1OC	891510308	SQQQUEVUQRJWRZ-UHFFFAOYSA-N	291.351	1.775	10	20	CDCD	
Cc1[nH]ncc1C(=O)NCc1ccc(N(C)C)cc1	63665705	LIRLFTJWTJNLTL-UHFFFAOYSA-N	258.325	1.714	10	20	CDCD	
Cn1c(-c2sccc2O)nnc1N1C[C@@H]2[C@@H](C1)C2(F)F	1339573125	MPQKVJFENAPPLG-RNFRBKRXSA-N	298.318	1.951	10	20	CDCD	
COC(=O)c1cnc(Sc2nccs2)nc1	786584154	SBQHILAWQOANSH-UHFFFAOYSA-N	253.308	1.871	10	20	CDCD	
CC(C)(O)CNCc1ccc(N2CCOCC2)cc1	96480993	ONBKHGWEDVZZAW-UHFFFAOYSA-N	264.369	1.384	10	20	CDCD	
COCC[C@@]1(NC(=O)NCc2ccc(N)cc2)CCOC1	1262603719	SONPNPSZIMXJRI-OAHLLOKOSA-N	293.367	1.264	10	20	CDCD	
Cc1nn(C)cc1CCC(=O)NCc1ccc(N)cc1	1341922869	FWBZAZSHTYCRFY-UHFFFAOYSA-N	272.352	1.560	10	20	CDCD	
O=C(O)/C=C\c1ccc(N2[C@H]3COC[C@H]2C3)c([N+](=O)[O-])c1	1608659909	KDMIZULYVKAOEJ-RQVXFDJMSA-N	290.275	1.670	10	20	CDCD	
C/C(=C/CNC(=O)N1Cc2cccc(O)c2C1)C(=O)O	1602973058	OYABRRWDYHKVOK-UITAMQMPSA-N	276.292	1.448	10	20	CDCD	
C[C@@H](NCCOCC(=O)O)c1c(O)cccc1F	1603248802	UKRCUXMBYRMDTK-MRVPVSSYSA-N	257.261	1.283	10	20	CDCD	
C[C@@H](NC1COCCOC1)c1cc(C(=O)O)ccc1O	1604328840	GJVGMUHHBYOGCE-SECBINFHSA-N	281.308	1.156	10	20	CDCD	
O=C(O)C1CN(Cc2cc(Cl)cc(F)c2O)C1	1594951966	YIHWKQFSXJVZHF-UHFFFAOYSA-N	259.664	1.701	10	20	CDCD	
c1cc2c(cc1CNC[C@@H]1COCCN1)CCCO2	258874748	IGLQVUNQMCKWPB-CQSZACIVSA-N	262.353	1.090	10	20	CDCD	
COc1ccc(CNC[C@@H](OC)[C@@H]2CCOC2)c(O)c1	850342923	OSQVEKZSECHEAP-IUODEOHRSA-N	281.352	1.542	10	20	CDCD	
CN(C)c1ccc(CNc2ccnc(C(N)=O)c2)cc1	114183761	MVTHYHSPSVZFHG-UHFFFAOYSA-N	270.336	1.859	10	20	CDCD	
COc1ccc(O)c([C@@H](C)N[C@H]2CCCCNC2=O)c1	36977199	PEDRWSPSDWCGJH-MFKMUULPSA-N	278.352	1.720	10	20	CDCD	
CC[C@H](NC[C@@H]1CCS(=O)(=O)C1)c1ccccc1O	38082857	QADMBKSMOCYTPS-AAEUAGOBSA-N	283.393	1.868	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@H]1C[C@H](F)CN1	188390270	KEUDOIVUABEAIE-WDEREUQCSA-N	252.289	1.051	10	20	CDCD	
C[C@H](NC[C@H]1CNC(=O)C1)c1ccc(N(C)C)cc1	398350885	ZSJNTGAJNXYMNY-RYUDHWBXSA-N	261.369	1.539	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1ccc(=O)n(C)c1	115280224	LRINMVIGOQLZHE-UHFFFAOYSA-N	299.374	1.690	10	20	CDCD	
CCONC(=O)NCc1ccc2c(c1)CCCN2C	171581804	RJYICDMBRUHOAL-UHFFFAOYSA-N	263.341	1.820	10	20	CDCD	
CN1CCN(Cc2cccc(Br)c2O)CC1=O	127370357	XFLCMEKULKQEQT-UHFFFAOYSA-N	299.168	1.429	10	20	CDCD	
O=C(NCc1ccc(N2CCCC2)cc1)c1ccc(=O)[nH]c1	73955059	UZDPFSIDLFBCQY-UHFFFAOYSA-N	297.358	1.905	10	20	CDCD	
CCN(C)C(=O)[C@H](C)NC(=O)c1ccc(C)c(O)c1O	191639606	WWKFNJOZXSLOFX-VIFPVBQESA-N	280.324	1.003	10	20	CDCD	
COCCCOCCN(C)Cc1ccccc1O	181521099	UHAZIZYNYDBOLJ-UHFFFAOYSA-N	253.342	1.877	10	20	CDCD	
Cc1c(CNC(=O)CN(C)C)n(C)c2ccccc12	352126783	XCXPXSIUZKRKQD-UHFFFAOYSA-N	259.353	1.665	10	20	CDCD	
C[C@H](O)[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1	272987209	MNMPPPRCLHFTGP-BIZURNDZSA-N	277.320	1.340	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CC[C@@H]1CCOC1	274902316	GPXXXUQPTLIPJD-VXGBXAGGSA-N	293.363	1.962	10	20	CDCD	
CC[C@H](NCCN1C(=O)CNC1=O)c1ccc(F)cc1O	285940410	DJSXRSZVUMTDBE-NSHDSACASA-N	295.314	1.124	10	20	CDCD	
CCCCN(Cc1ccccc1O)C(=O)c1c[nH]nn1	282414616	GGZNFGFQQPHPJW-UHFFFAOYSA-N	274.324	1.953	10	20	CDCD	
CC[C@@](C)(OC)C(=O)NCc1ccc(O)c(O)c1	280857374	RVUFDVXUCSKHBX-CYBMUJFWSA-N	253.298	1.529	10	20	CDCD	
COc1ccc(O)c(CNCCN2CCCOCC2)c1	289409432	HQUOZJJWPYYSEF-UHFFFAOYSA-N	280.368	1.213	10	20	CDCD	
Oc1cc2c(cc1CN1CCCc3n[nH]cc31)OCO2	291712583	ZZXMRORPTCKIKA-UHFFFAOYSA-N	273.292	1.797	10	20	CDCD	
COc1cccc(O)c1CNCC1(N(C)C)CC1	841891821	PMWQVSODMYWFTR-UHFFFAOYSA-N	250.342	1.585	10	20	CDCD	
C[C@@H]1CCCN(CCNC(=O)NCc2ccccc2O)C1	299500439	LQAUSYOBSQYMEF-CYBMUJFWSA-N	291.395	1.923	10	20	CDCD	
CC[C@H](NC[C@H]1CC[C@@H](CO)O1)c1ccccc1O	294110511	KAXYYQKDTMCZGB-DYEKYZERSA-N	265.353	1.973	10	20	CDCD	
CC(=O)C(=O)COC(=O)c1cccc(Br)c1	808487289	FOCYOPFYOGKCCU-UHFFFAOYSA-N	285.093	1.764	10	20	CDCD	
C[C@@H]1COCC[C@@H]1NC[C@@H](N)c1ccc(N(C)C)cc1	817942917	RNHBAPVSRHZDKD-WQVCFCJDSA-N	277.412	1.767	10	20	CDCD	
Cc1cc(CC(=O)N(C)Cc2ccccc2O)on1	816889278	SAEHMPPCDKYDII-UHFFFAOYSA-N	260.293	1.890	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCC[C@H](n2ccnn2)C1	822426475	KLWUWSXEBDONOB-VIFPVBQESA-N	278.337	1.523	10	20	CDCD	
COc1ccc(N2CCN(C(=O)O)CC2)cc1F	829424642	QSYCGKPEBVJJSZ-UHFFFAOYSA-N	254.261	1.634	10	20	CDCD	
C[C@@H](NC(=O)[C@H]1CCCNC1=O)c1ccccc1O	827952046	DWYIRVSHCWVBEQ-KOLCDFICSA-N	262.309	1.096	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)NCCC2(CO)CC2)c1	834895477	BXPHLLJCYJFBDR-NSHDSACASA-N	293.363	1.992	10	20	CDCD	
O=C1C[C@H](COc2ccc(N3CCCC3)cc2)CN1	902283397	LOJVBVYIUAWBIG-LBPRGKRZSA-N	260.337	1.802	10	20	CDCD	
C[C@H](CC(=O)O)NCc1ccc(N2CCOCC2)cc1	738891807	QFLDZJFFCBNURX-GFCCVEGCSA-N	278.352	1.476	10	20	CDCD	
C[C@@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccc(N(C)C)cc1	839727703	CRFDBLRAOSOIOX-OASPWFOLSA-N	277.324	1.595	10	20	CDCD	
Nc1ccc(CC(=O)N[C@H]2CCO[C@H](C3CC3)C2)cc1	832002188	DNWUBSNVKQRKDG-GJZGRUSLSA-N	274.364	1.885	10	20	CDCD	
C[C@@H]1CSC[C@@H]1NC(=O)NCCc1ccc(N)cc1	841901795	MOZAJEYNDGIOEZ-MFKMUULPSA-N	279.409	1.862	10	20	CDCD	
CN(Cc1ccccc1O)C(C)(C)CN1CCOCC1	840977442	KRQCOTGCKYVXEC-UHFFFAOYSA-N	278.396	1.935	10	20	CDCD	
CC[C@H](NCc1ccc(N(C)C)c(F)c1)C(=O)O	843037619	AAPWDYPQONSDTB-NSHDSACASA-N	254.305	1.845	10	20	CDCD	
CC[C@H](COC(=O)c1ccc(C)c(O)c1O)OC	842072262	OTWWXVPOWPDMSR-SECBINFHSA-N	254.282	1.988	10	20	CDCD	
O=S(=O)(NCc1cc(Cl)ccc1O)N1CCCC1	845997741	FNJWRXDMFXMTAA-UHFFFAOYSA-N	290.772	1.476	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN(C)CCN1CCOCC1	840913831	JGMHQOMXTITLMZ-UHFFFAOYSA-N	291.439	1.825	10	20	CDCD	
COc1cccc(CN[C@H](C)[C@H]2CCCNC2)c1O	841033448	NXQSJRFEKCIZPJ-NEPJUHHUSA-N	264.369	1.879	10	20	CDCD	
CO[C@@H](CC(C)C)C(=O)NCc1ccc(O)c(O)c1	841403327	AUVXFCHLPAKPLF-ZDUSSCGKSA-N	267.325	1.775	10	20	CDCD	
COCCC(=O)NCc1ccc(N2CCC(O)CC2)cc1	856210542	GXYQCAHVZVIQPT-UHFFFAOYSA-N	292.379	1.300	10	20	CDCD	
C[C@@H](NC/C=C\CO)c1cc([N+](=O)[O-])ccc1O	850510264	WYEFMIMIFDDPJR-PKRMOACSSA-N	252.270	1.500	10	20	CDCD	
C[C@@H]1C[C@@H]1C(=O)NCc1ccc(N2CCC(O)CC2)cc1	856208018	FYGSMEBZBWXXDT-WBMJQRKESA-N	288.391	1.920	10	20	CDCD	
Cc1ccn(CC(=O)NCc2cc(Cl)ccc2O)n1	857548823	VWIJYPXFLTYMBR-UHFFFAOYSA-N	279.727	1.867	10	20	CDCD	
CCC[C@@H](CCO)NCc1cc([N+](=O)[O-])ccc1O	865662515	AHOPFFIHVLYSGY-NSHDSACASA-N	268.313	1.941	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N(C)C1CC(O)C1	760118474	QWRDBDKAOQKPPA-UHFFFAOYSA-N	291.395	1.726	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@H]2CCC[C@@H](C(N)=O)C2)c1	862756940	BDUFQFWLGKENQH-NEPJUHHUSA-N	290.363	1.609	10	20	CDCD	
Cc1ccc(C(=O)N2CCc3nc[nH]c3C2)c(O)c1O	861762571	YMNIFFMUKWQOLV-UHFFFAOYSA-N	273.292	1.328	10	20	CDCD	
O=C(CCC1(O)CCC1)NCCc1ccc(O)c(O)c1	866757406	SPMSPAPGIWGDQF-UHFFFAOYSA-N	279.336	1.452	10	20	CDCD	
NCC(F)(F)CNCc1ccc(N2CCCC2)cc1	1117953469	HTQRZOMJSYDJGQ-UHFFFAOYSA-N	269.339	1.970	10	20	CDCD	
CC[C@H](CO)NCc1ccc(N2CCC(O)CC2)cc1	876906047	OXWROFSPZORXSO-CQSZACIVSA-N	278.396	1.508	10	20	CDCD	
Cc1cc(CN2CCN(C)C[C@H]2CO)ccc1N(C)C	879000712	IAORAIUDFJZDIY-HNNXBMFYSA-N	277.412	1.169	10	20	CDCD	
CO[C@H]1COCC[C@@H]1CNC(=O)c1cc(O)cs1	1118765304	YTQOWRKSVJGMSM-SCZZXKLOSA-N	271.338	1.235	10	20	CDCD	
COCCN1C(=O)C2(CC2)N[C@@H]1c1cc(F)cc(F)c1O	887330016	WDXHCDLIHOIPIE-LBPRGKRZSA-N	298.289	1.280	10	20	CDCD	
CCOc1ccc(CN2CC(=O)N(C)C[C@H]2C)c(O)c1	783731234	YXPAUPVZMYVVHA-LLVKDONJSA-N	278.352	1.453	10	20	CDCD	
CCN1CCN(C(=O)c2ccc(C)c(O)c2O)C[C@H]1C	780995671	QQMPOMLBECXNTD-LLVKDONJSA-N	278.352	1.572	10	20	CDCD	
CC[C@@H]1C[C@H]1NC(=O)NCc1cc(OC)ccc1O	798108684	FQRYZGZAMCSFCB-BXKDBHETSA-N	264.325	1.999	10	20	CDCD	
O=C(O)C[C@@H](NCc1ccc2c(c1)CCO2)C1CC1	1324575264	MDLVUBNTUPKNTP-CYBMUJFWSA-N	261.321	1.964	10	20	CDCD	
Cc1nc(S(=O)(=O)Nc2ccc(O)cc2F)cn1C	85203916	QUAZOCNQEIWUOP-UHFFFAOYSA-N	285.300	1.374	10	20	CDCD	
Cc1ncc(-c2nnc(N(C)Cc3ccccc3O)n2C)[nH]1	1339873614	HJGPLLKUTBQZJD-UHFFFAOYSA-N	298.350	1.856	10	20	CDCD	
CC(=O)CN(C(=O)/C=C\c1ccc(O)c(O)c1)C(C)C	1332129784	GEQXUPPGTUYAIF-ALCCZGGFSA-N	277.320	1.937	10	20	CDCD	
Nc1ccc(NC(=O)NC[C@H]2[C@@H](C(=O)O)C2(F)F)cc1	1601216945	WZVYKYZRQJYBNE-IUCAKERBSA-N	285.250	1.356	10	20	CDCD	
NC1(CO)CCN(Cc2cc(Cl)c(F)cc2O)CC1	1580156533	CEEOHDVHZHTGMV-UHFFFAOYSA-N	288.750	1.470	10	20	CDCD	
CCOc1cccc(CN2C[C@@H](C)O[C@@H](C(=O)O)C2)c1O	1597154785	BSPIMCDSIXFMPJ-ZWNOBZJWSA-N	295.335	1.465	10	20	CDCD	
O=C1NC(=S)S/C1=C\c1cncc(C(=O)O)c1	1777698899	KCWZDAHNOUYGRG-UQCOIBPSSA-N	266.303	1.269	10	20	CDCD	
COCCOCCCN(C)c1ccc(OCC(=O)O)cc1	1777214047	NIVSAXAQPGTWDX-UHFFFAOYSA-N	297.351	1.639	10	20	CDCD	
CC(C)OCCNCc1cc2c(cc1O)OCO2	168959868	LSDKQMCQAIKONG-UHFFFAOYSA-N	253.298	1.636	10	20	CDCD	
Nc1ccc(CC(=O)N2CCOC3(CCCC3)C2)cc1	844203924	ZYXTWAJVJBSITO-UHFFFAOYSA-N	274.364	1.983	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CC[C@H](N2CCCC2)C1	126403341	SZBZLMFWJGOIAR-NSHDSACASA-N	276.336	1.408	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CCC[C@@H](CO)C2)c1O	50132049	RVCCIZDVNNPGQC-LLVKDONJSA-N	281.327	1.938	10	20	CDCD	
C[C@@H]1CN(Cc2ccccc2O)C[C@@H](C)S1(=O)=O	290762039	BPNHSIVLDONTCE-GHMZBOCLSA-N	269.366	1.400	10	20	CDCD	
C[C@H](NC(=O)C(C)(C)C)C(=O)N(C)c1ccc(N)cc1	702124831	ILNNGCNYBDUXKA-JTQLQIEISA-N	277.368	1.782	10	20	CDCD	
O=C1C[C@@H](CNCc2c(O)cccc2Br)CN1	706881364	RCQHHXWACNHZNM-QMMMGPOBSA-N	299.168	1.380	10	20	CDCD	
CCN1C[C@@H](NCc2cc(Cl)cc(OC)c2O)CC1=O	391649073	WBUREIQPBQNTPX-NSHDSACASA-N	298.770	1.765	10	20	CDCD	
O=S1(=O)CCCC[C@@H]1CN[C@H]1CCc2cccc(O)c21	694583681	GNNUJVMGKLRGTK-OLZOCXBDSA-N	295.404	1.936	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)C2(O)CCCC2)c1	104901089	IYJWKDARTJSVCQ-JTQLQIEISA-N	279.336	1.883	10	20	CDCD	
CCO[C@H](C)C(=O)NCc1cc(OC)ccc1O	114541555	IQMYITMZGRLBHL-SECBINFHSA-N	253.298	1.442	10	20	CDCD	
COC[C@H](O)CNCc1cc(Br)ccc1O	117946235	ONRWGKBCXGHEGD-SNVBAGLBSA-N	290.157	1.252	10	20	CDCD	
Cc1ccc(C(=O)NCCc2ccccn2)c(O)c1O	177664178	WLEJXHCRILXZNN-UHFFFAOYSA-N	272.304	1.774	10	20	CDCD	
CCCS(=O)(=O)CCN(C)c1ccc2c(c1)OCO2	121401351	GFTSWVVCNIWSQB-UHFFFAOYSA-N	285.365	1.676	10	20	CDCD	
CS(=O)(=O)CCCNCc1ccc2c(c1)CCO2	38047787	XAIZWTMUWGDGAT-UHFFFAOYSA-N	269.366	1.146	10	20	CDCD	
NC(=O)N1CCCN(Cc2c(O)cccc2Cl)CC1	126767262	QZSOGVTWZOTIJG-UHFFFAOYSA-N	283.759	1.632	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccncc1F	186375947	RNIKKLYTRPAMRW-VIFPVBQESA-N	290.294	1.993	10	20	CDCD	
COc1cccc(CNC(=O)C2(SC)CC2)c1O	190723864	XNDBXWXSZVEKAS-UHFFFAOYSA-N	267.350	1.913	10	20	CDCD	
C[C@@H](CO)CNCc1cc(Br)ccc1O	163758191	PQWJUNJNVXRPJU-MRVPVSSYSA-N	274.158	1.873	10	20	CDCD	
Cc1ccc(C(=O)N2CC[C@@H]3CCN(C)C[C@H]32)c(O)c1O	272914739	DNEFWWWWXSZIFO-WCQYABFASA-N	290.363	1.572	10	20	CDCD	
Cc1cc(O)c(CNC[C@@H](CO)[C@@H]2CCOC2)cc1C	280387997	WLPGFEFYWBJDRN-HIFRSBDPSA-N	279.380	1.744	10	20	CDCD	
COc1ccc(O)c(CNC[C@@H](CO)[C@H]2CCOC2)c1	281010300	YMEILJIZRUDXHW-AAEUAGOBSA-N	281.352	1.135	10	20	CDCD	
O=[N+]([O-])c1ccc(O)c(CNC[C@H](CO)[C@@H]2CCOC2)c1	280421491	ZGKCDNKTCWKULU-ZYHUDNBSSA-N	296.323	1.035	10	20	CDCD	
CC[C@@H](N[C@@H](CO)COC)c1ccc(N(C)C)cc1	281159364	PBAKJNCROYIWDF-DZGCQCFKSA-N	266.385	1.801	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2cc3n(n2)CCC3)cc1	294326620	HWGMKCUVXGKAII-UHFFFAOYSA-N	284.363	1.825	10	20	CDCD	
O=C1N=C(N2CCCCC2)S/C1=C/c1cnccn1	809153465	UWWZGIOYEIBJOP-DHZHZOJOSA-N	274.349	1.933	10	20	CDCD	
Cc1cc(CN(C)CCS(C)(=O)=O)ccc1N(C)C	293159993	RKHAKFIKTQUEHI-UHFFFAOYSA-N	284.425	1.537	10	20	CDCD	
COc1ccc(N2CCN(C(=O)[C@@H]3CC3(F)F)CC2)cc1	294312558	JICWJCTXLVEBNX-ZDUSSCGKSA-N	296.317	1.999	10	20	CDCD	
CC[C@H](CNC(=O)NCc1cc(OC)ccc1O)OC	812042747	ADSZFIULWPEXPV-LLVKDONJSA-N	282.340	1.625	10	20	CDCD	
Cc1ncc2n1C[C@H](C(=O)NCc1ccccc1O)CC2	816911850	AZMQREILKYSUGV-CYBMUJFWSA-N	285.347	1.776	10	20	CDCD	
CCOC[C@H](O)CNCCCSc1nccs1	819063982	REPSQAOPGCVERP-SNVBAGLBSA-N	276.427	1.612	10	20	CDCD	
CC(C)[C@H]1CN(C(=O)c2c(F)ccc(O)c2O)CCO1	827991650	SVRITBXIAWNGRQ-LLVKDONJSA-N	283.299	1.734	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C1(CN(C)C)CC1	821807244	OXFYISCLLIDUSF-NSHDSACASA-N	292.379	1.487	10	20	CDCD	
CCN1C(=O)/C(=C\c2c[nH]c(C(=O)O)c2)SC1=S	829740681	PJZPTZWAUHLTKI-XBXARRHUSA-N	282.346	1.934	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)CC2(N)CCC2)c1	828667664	SXVWGMCFNRLKFI-JTQLQIEISA-N	278.352	1.850	10	20	CDCD	
CC[C@H](CN1CCCC1)NC(=O)Cc1ccc(N)cc1	829769297	SCXWFLCAXBGFKM-OAHLLOKOSA-N	275.396	1.802	10	20	CDCD	
C[C@@H]1C[C@@H](NC(=O)NCc2ccc(N(C)C)c(F)c2)CO1	826020046	ORFNMYWJYRFYHS-ZYHUDNBSSA-N	295.358	1.868	10	20	CDCD	
O=C(NCCNc1cnccn1)c1cc(O)cs1	732277726	NPBKXFKWJXZPID-UHFFFAOYSA-N	264.310	1.086	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1C[C@H](N)C1	662752144	HSEHYNKCUGKROG-XYPYZODXSA-N	275.352	1.215	10	20	CDCD	
CCOc1ccc(CN2CC(O)(C(C)C)C2)c(O)c1	839132639	JVQKKRTYLFGKMN-UHFFFAOYSA-N	265.353	1.994	10	20	CDCD	
Cc1ccc(C(=O)OC[C@H]2CCNC(=O)CC2)c(O)c1O	837485786	RYXXLXXCQDRBSV-SNVBAGLBSA-N	293.319	1.479	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1CCCO[C@@H](CN)C1	841100966	QFTGGCQXJNFPJX-INIZCTEOSA-N	277.412	1.611	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NC2CCC(N)CC2)cc1	841655661	SYAMOEXUWCKLKK-UHFFFAOYSA-N	290.411	1.822	10	20	CDCD	
COCC[C@](C)(O)CNCc1ccc(N(C)C)cc1C	840933303	BSQUMLPQVQZEMR-INIZCTEOSA-N	280.412	1.938	10	20	CDCD	
CC[C@@H](N)CNC(=O)NCCCSc1nccs1	841856704	KFWKAUZPPDJNBD-SECBINFHSA-N	288.442	1.662	10	20	CDCD	
CC[C@H](C(=O)O)N(C)CCN(C)c1ccc(OC)cc1	844839684	ROFZWUYWZGXWMQ-CQSZACIVSA-N	280.368	1.926	10	20	CDCD	
C[C@H]1C[C@H](CN)CN1Cc1cc2c(cc1O)OCO2	843058250	QJKKQLMXPUFACJ-VHSXEESVSA-N	264.325	1.290	10	20	CDCD	
C[C@H](CCCN)NCc1cc2c(cc1O)OCO2	841079546	JONHOVOUGYGGDJ-SECBINFHSA-N	252.314	1.338	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)N[C@H](C)CNC)cc1	851655847	ZSZROFQYJXZOJL-CYBMUJFWSA-N	292.427	1.940	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)NC[C@H]1CCN1C	925403071	JYWQZBOOOJYJRL-GFCCVEGCSA-N	263.341	1.238	10	20	CDCD	
CN(C)c1ccc(OCC(=O)NC2CCOCC2)cc1	757718800	WXRDTBAXMLVMOA-UHFFFAOYSA-N	278.352	1.427	10	20	CDCD	
C[C@@H](C(=O)NCCCSc1nccs1)N(C)C	750021321	FVTNAUPEYIIYFY-VIFPVBQESA-N	273.427	1.692	10	20	CDCD	
CN1CCCc2cc(CNC(=O)C(C)(C)C(N)=O)ccc21	767779618	TWJYNUUTSDONRY-UHFFFAOYSA-N	289.379	1.197	10	20	CDCD	
C[C@@H]1CN(Cc2ccc(N(C)C)c(F)c2)CCN1	768140746	VLKMBSAPNXYRTN-LLVKDONJSA-N	251.349	1.685	10	20	CDCD	
COC(=O)NCCCC(=O)NCc1cc(C)ccc1O	862760115	MRJMSKVVUNALCZ-UHFFFAOYSA-N	280.324	1.453	10	20	CDCD	
O=S(=O)(CCC(F)(F)F)NCc1ccc(O)cc1O	867417341	SAFUEUHEFWKRFO-UHFFFAOYSA-N	299.270	1.470	10	20	CDCD	
C[C@H](C(=O)C1CC1)n1cc(COc2ccc(N)cc2)nn1	864641528	CECGNJZXUISPPN-SNVBAGLBSA-N	286.335	1.979	10	20	CDCD	
Oc1ccccc1CNCc1cc2c(cn1)OCCO2	876996119	PIXUSOUVOCXBSF-UHFFFAOYSA-N	272.304	1.848	10	20	CDCD	
COc1ccc(O)c([C@H](C)N[C@H]2CCCNC(=O)C2)c1	877533350	NABVLIPZESCOIR-QWRGUYRKSA-N	278.352	1.720	10	20	CDCD	
CN1C(=O)C(=Cc2ccc3cnccc3c2)C(=O)N(C)C1=O	779221169	PQLRCECRSJCZOR-UHFFFAOYSA-N	295.298	1.669	10	20	CDCD	
CCOC(=O)/C(=C/c1cn(C)nc1CC)c1nccn1C	770572349	FRPGXGXKJYKHMI-FMIVXFBMSA-N	288.351	1.820	10	20	CDCD	
COCCN(C)C(=N)NCc1ccc2c(c1)CCCN2C	871604209	XVPDSUPMTLPMCE-UHFFFAOYSA-N	290.411	1.672	10	20	CDCD	
CC(C)NS(=O)(=O)N[C@H](C)c1ccc(N(C)C)cc1	773088959	QSUFIOYTVSQBNU-LLVKDONJSA-N	285.413	1.646	10	20	CDCD	
CC[C@H](OC)C(=O)NCCNCc1ccc(OC)c(C)c1	1124555894	DYXUHPIVPDYWCV-AWEZNQCLSA-N	294.395	1.634	10	20	CDCD	
CC1(NC(=S)NCCc2ccc(O)c(O)c2)CC1	789156509	BBVDAJVDEYMMAI-UHFFFAOYSA-N	266.366	1.657	10	20	CDCD	
CCc1cc(C(=O)NCCc2ccc(N)cc2)no1	884028492	IIWXNQXMDPDBSL-UHFFFAOYSA-N	259.309	1.792	10	20	CDCD	
CC(C)N1CCCN(C(=O)NCc2ccc(N)cc2)CC1	1120681284	HXDRVVQEQNVOGQ-UHFFFAOYSA-N	290.411	1.895	10	20	CDCD	
CN(Cc1cnc2n1CCOC2)c1ccc2c(c1)OCO2	893461001	KPQAHUPHKLNMNX-UHFFFAOYSA-N	287.319	1.778	10	20	CDCD	
C[C@@H](NC(=O)N1CCOCCN1)c1ccc(N(C)C)cc1	894286279	NTBYYNOMHRMORN-GFCCVEGCSA-N	292.383	1.360	10	20	CDCD	
CN(C)c1ccc(CN2C[C@H](O)C[C@]2(C)CO)cc1F	895332192	SFXVSDQDHRJMHX-IUODEOHRSA-N	282.359	1.209	10	20	CDCD	
COc1ccc(CNc2ncnc3c2ncn3C)c(O)c1	795292041	JNQNXNJHNFEFJI-UHFFFAOYSA-N	285.307	1.690	10	20	CDCD	
Cn1c(C(=O)NCc2ccccc2O)ccc1[N+](=O)[O-]	133767220	VQBCFAXGYJSPHV-UHFFFAOYSA-N	275.264	1.569	10	20	CDCD	
C[C@@H]1CCCN1C(=O)C(=O)N(C)Cc1ccccc1O	1325224081	JNWJIJZWWRBNEV-LLVKDONJSA-N	276.336	1.362	10	20	CDCD	
CCCN1CCC[C@H]1C(=O)NCc1ccc(N)cc1	1356228816	VDLSJTXOJPHEFC-AWEZNQCLSA-N	261.369	1.759	10	20	CDCD	
Cc1ccc(O)c(CN2CC[C@@](F)(C(=O)O)C2)c1	1600465242	UPAPLIINFHFYJN-ZDUSSCGKSA-N	253.273	1.699	10	20	CDCD	
O=C(O)[C@@H](CC(F)(F)F)NCc1ccccc1O	1601640062	HPOWRCYRXKXHMP-MRVPVSSYSA-N	263.215	1.887	10	20	CDCD	
O=C(O)/C=C\c1ccc(N2CC=C[C@H]2CO)c([N+](=O)[O-])c1	1601880632	DPZWVSSSKNQNGY-QZPNVGJNSA-N	290.275	1.430	10	20	CDCD	
COc1cc(C)cc(CNC[C@H]2CCO[C@H]2C(=O)O)c1O	1599391581	ALJHXOBTQFMBOB-QMTHXVAHSA-N	295.335	1.289	10	20	CDCD	
CC[C@H](NC/C=C\CO)c1cccc(-c2nn[nH]n2)c1O	1590467354	PSVBLJFCMNRJTO-MVZIDQBPSA-N	289.339	1.162	10	20	CDCD	
COc1ccc(O)c(CN2C[C@@H](C(=O)O)O[C@H](C)C2)c1	1599598488	NXNDORNGOLOGKA-RNCFNFMXSA-N	281.308	1.075	10	20	CDCD	
CCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	5097791	ZZDAMRNIRQISEN-AWEZNQCLSA-N	263.385	1.882	10	20	CDCD	
C[C@@H](NCCO[C@@H]1CCOC1)c1ccc(F)cc1O	927081797	WGMPAQPUAKFBNB-ZYHUDNBSSA-N	269.316	1.987	10	20	CDCD	
C[C@H](NCCOCCN(C)C)c1ccc(F)cc1O	219324888	HAYHSQFORMJSKX-NSHDSACASA-N	270.348	1.760	10	20	CDCD	
CC[C@@H](C)NC(=O)CCNC(=O)c1cccc(O)c1O	126360802	PXBJOSCWABZZAF-SECBINFHSA-N	280.324	1.132	10	20	CDCD	
CCNC(=O)CNCc1ccc(N2CCCCC2)cc1	35134235	WBMGHLBKJCBSJS-UHFFFAOYSA-N	275.396	1.903	10	20	CDCD	
C[S@@](=O)C1(CNCc2cc3c(cc2O)OCO3)CC1	282338646	LYEUABYZWBFZTA-LJQANCHMSA-N	283.349	1.122	10	20	CDCD	
COc1cc(C(=O)N(C)Cc2ccccc2O)on1	184870005	LBJVAVHQWRTMKX-UHFFFAOYSA-N	262.265	1.661	10	20	CDCD	
C[C@@H](N[C@H]1CCCN(C)C1=O)c1cc(F)ccc1O	704357785	QYRWXTPQPCAGAQ-SKDRFNHKSA-N	266.316	1.803	10	20	CDCD	
CO[C@@H]1COC[C@H]1NCc1cc(F)cc(F)c1O	883152659	CIQDNNCLDLUHJZ-GHMZBOCLSA-N	259.252	1.174	10	20	CDCD	
Cc1ccc(C(=O)NCc2ccc(N(C)C)cc2C)c(=O)[nH]1	115279518	WUILJPDFAPUAQJ-UHFFFAOYSA-N	299.374	1.988	10	20	CDCD	
C[C@@H](N[C@@H]1CCOC1=O)c1ccc(N2CCOCC2)cc1	112536865	ZXFFRJNLIKYUMB-IUODEOHRSA-N	290.363	1.489	10	20	CDCD	
COc1cc(O)c(CN(C)CC(C)(C)O)cc1OC	180252202	LJHSBPLHMOJSMS-UHFFFAOYSA-N	269.341	1.612	10	20	CDCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)C(F)F	190174813	GVTWLJZYIXYCMC-UHFFFAOYSA-N	288.269	1.544	10	20	CDCD	
O=S(=O)(NCc1ccccc1O)N1C[C@H]2CC[C@H]1C2	269744906	WJFHSIXRPPYLMV-JQWIXIFHSA-N	282.365	1.211	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1(C)COC1	274885693	BSMIODDMNLGWGT-SECBINFHSA-N	265.309	1.182	10	20	CDCD	
C[C@H](O)CCCNC(=O)NCc1ccc(N(C)C)c(F)c1	279449491	KOUXXNPJHSAOCK-NSHDSACASA-N	297.374	1.852	10	20	CDCD	
C[C@@H]1CCC[C@]1(O)CNC(=O)c1c(F)ccc(O)c1O	295626142	PMEBSGGSJICKJP-CLAHSXSESA-N	283.299	1.518	10	20	CDCD	
C[C@H](O)CSCC(=O)NCc1ccc(N(C)C)cc1	298268262	OZFYWPNMYZOPLP-NSHDSACASA-N	282.409	1.483	10	20	CDCD	
CCc1nc(CNC(=O)NCc2ccccc2O)n[nH]1	297121197	HBPDGCUNIRWKIH-UHFFFAOYSA-N	275.312	1.072	10	20	CDCD	
C[C@H](N[C@H](C)c1cc(F)cc(F)c1O)C(=O)NCCF	800498558	NFTCKAOYKLVPSW-SFYZADRCSA-N	290.285	1.795	10	20	CDCD	
COCC1CCN(C(=O)c2c(F)ccc(O)c2O)CC1	295355593	VUDDFPOMRJFWEQ-UHFFFAOYSA-N	283.299	1.736	10	20	CDCD	
CN1CC[C@@H]1CNCc1cccc(Br)c1O	712579588	LEVQPFALOSCYDM-SNVBAGLBSA-N	285.185	1.948	10	20	CDCD	
CS(=O)(=O)[C@@H]1CCCC[C@@H]1NCCc1ccc(N)cc1	817956033	OEKWFYFSLRUZCE-LSDHHAIUSA-N	296.436	1.757	10	20	CDCD	
Cc1ccc(C(=O)N2CC3(CCOC3)C2)c(O)c1O	819392274	YAOZVASXOCONIV-UHFFFAOYSA-N	263.293	1.269	10	20	CDCD	
C[C@@H](N[C@H]1[C@@H]2CNC[C@@H]21)c1cc([N+](=O)[O-])ccc1O	817977654	NGSCTFGJYBXLKD-XDRUHAPNSA-N	263.297	1.169	10	20	CDCD	
CCOC(=O)[C@@H]1NCC[C@H]1NCc1ccc(N(C)C)cc1	817896705	QBZDZQXVJHIJGW-HUUCEWRRSA-N	291.395	1.136	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN[C@@H]1CCOC[C@H]1[C@@H](C)N	817893695	GQTJJYCWWIUYKT-XOKHGSTOSA-N	291.439	1.903	10	20	CDCD	
CC[C@@H](CO)NCC(=O)N(C)Cc1ccc(N(C)C)cc1	727060858	XINRLVUHWDEQJQ-AWEZNQCLSA-N	293.411	1.072	10	20	CDCD	
C[C@@H](NC(=O)CN1CCCCCC1=O)c1ccccc1O	827923564	VAJWMVDNFAJCHJ-GFCCVEGCSA-N	290.363	1.972	10	20	CDCD	
O=C(O)[C@@H]1CCCCN1C(=O)c1cc(O)cs1	821509061	RBEDCNXGVOXIAI-QMMMGPOBSA-N	255.295	1.533	10	20	CDCD	
C[C@@H](CNC(=O)c1c(F)ccc(O)c1O)N1CCCCC1	825505537	KUDWYWDHNVZJGX-JTQLQIEISA-N	296.342	1.841	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@@H]1CCCC(=O)N1C	906991327	MVXSSSKNGOVGRA-LBPRGKRZSA-N	276.336	1.362	10	20	CDCD	
Cc1cc(O)c(CN(C)[C@H]2CCNC2=O)cc1Cl	824943416	NGBNZVZZWNRGII-NSHDSACASA-N	268.744	1.674	10	20	CDCD	
O=C(N[C@@H]1CCc2n[nH]cc2C1)c1cc(O)cs1	736680154	AUNLFZDTHWJZEP-MRVPVSSYSA-N	263.322	1.464	10	20	CDCD	
CCOCCOC[C@H](O)CN[C@@H]1CCc2cccc(O)c21	834783262	DABCKOVRADSIDL-ZIAGYGMSSA-N	295.379	1.383	10	20	CDCD	
c1cc(N2CCOCC2)ccc1CNCCCNC1CC1	841093397	RWQDIILOYLGWTK-UHFFFAOYSA-N	289.423	1.755	10	20	CDCD	
CC[C@H]1CN(C(=O)NCCc2ccc(N)cc2)CC[C@H]1N	841955715	LBDHSKVIEGYWGQ-DZGCQCFKSA-N	290.411	1.580	10	20	CDCD	
COc1ccc(CNC(=O)NC[C@H](N)C(C)C)c(O)c1	841943895	PYNJYZCYCALGQB-LBPRGKRZSA-N	281.356	1.183	10	20	CDCD	
COc1ccc(N2CCCN(C[C@@H]3CCNC3)CC2)cc1	844221337	DDXNBNZOOUYKAS-OAHLLOKOSA-N	289.423	1.817	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NCC2(N(C)C)CC2)cc1	841717062	WWOUSTSWIPAONU-UHFFFAOYSA-N	290.411	1.646	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCO[C@@H](C(F)(F)F)C1	740127673	FURGBIBILYAYSQ-MRVPVSSYSA-N	281.255	1.857	10	20	CDCD	
O=S1(=O)CCCN1CCSc1ncc(Cl)s1	850000391	SXOMBQWFQTYLMT-UHFFFAOYSA-N	298.842	1.924	10	20	CDCD	
COc1cc(O)c(CN[C@@H]2CCN(C(C)=O)C2)cc1OC	857068919	IJLOSVWMJMNSAQ-GFCCVEGCSA-N	294.351	1.120	10	20	CDCD	
C[C@@H](NS(=O)(=O)C[C@@H]1CCCOC1)c1ccccc1O	867835000	YSTZJAVUVPTVCR-VXGBXAGGSA-N	299.392	1.799	10	20	CDCD	
CCO[C@H](C(=O)NCc1ccc(OC)cc1O)C1CC1	861490076	PCQJFGJTJMVYSK-AWEZNQCLSA-N	279.336	1.832	10	20	CDCD	
CCCCN(Cc1ccccc1O)C[C@H](O)CO	930351545	PIMJHUPEQBEIGB-ZDUSSCGKSA-N	253.342	1.348	10	20	CDCD	
C[C@@H]1CN(Cc2cc3c(cc2O)OC[C@@H]3O)CCS1	768453428	WXIROHUHWVHMKC-RNCFNFMXSA-N	281.377	1.755	10	20	CDCD	
COC(=O)C[C@@H]1CCCN1Cc1c(O)cccc1OC	769484845	VPDCBZZCLNTKMI-NSHDSACASA-N	279.336	1.928	10	20	CDCD	
COC[C@@H]1CCN(Cc2ccc(N3CCOCC3)cc2)C1	769399836	VACZFOFXHPJGRX-MRXNPFEDSA-N	290.407	1.992	10	20	CDCD	
Cc1ccc(/C=C2/SC(=S)N(CC(N)=O)C2=O)cn1	764886367	QOLQWPNAPRKKOV-RUDMXATFSA-N	293.373	1.077	10	20	CDCD	
OCCCCN1CCN(Cc2cc(Cl)ccc2O)CC1	769395149	NFZRVKLRGFNQMQ-UHFFFAOYSA-N	298.814	1.936	10	20	CDCD	
CCC[C@H](OCC)C(=O)NCCc1ccc(O)c(O)c1	860237277	OMIZJSSNGLISPZ-AWEZNQCLSA-N	281.352	1.962	10	20	CDCD	
C[C@H](CO)N(C)Cc1cc(F)c(N(C)C)cc1F	862367436	IVEYAYOATRFUHW-SECBINFHSA-N	258.312	1.843	10	20	CDCD	
C[C@@H](NC(=O)NCCOCCN(C)C)c1ccccc1O	875523706	GNOMHNSOYDHQRQ-GFCCVEGCSA-N	295.383	1.331	10	20	CDCD	
COCCCOCC(=O)NCc1ccc(N(C)C)cc1C	775747169	QDIBJEPNSVLTAA-UHFFFAOYSA-N	294.395	1.730	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NCc1ncccc1F	779485168	INFHRGXHKKJECQ-GQCTYLIASA-N	288.278	1.962	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H](N)CC1CC1	884232112	ISOOOPJNFALCMA-CYBMUJFWSA-N	289.379	1.605	10	20	CDCD	
C[C@@H](N[C@@H]1CC(=O)N(C2CC2)C1)c1c(O)cccc1F	886550346	XWBQBDLFWPXUQB-NXEZZACHSA-N	278.327	1.945	10	20	CDCD	
O=C(O)C1(NCc2ccc(N3CCOCC3)cc2)CCC1	789901903	GYIVKHCWWRFAEG-UHFFFAOYSA-N	290.363	1.620	10	20	CDCD	
CC(C)[C@](C)(O)C(=O)OCC(=O)c1ccc(O)c(O)c1	784782321	CTYMYFZCGJTRFZ-AWEZNQCLSA-N	282.292	1.231	10	20	CDCD	
COC[C@@H](O)CCNCc1cc(C)cc(OC)c1O	894368731	OHEGRJHTEVHSTO-LBPRGKRZSA-N	269.341	1.196	10	20	CDCD	
CCOc1cccc(CN(CC)CCC(=O)NC)c1O	897710573	XFFPOGXZPFZMAB-UHFFFAOYSA-N	280.368	1.749	10	20	CDCD	
CC[C@@](C)(OC)C(=O)NCc1ccc(OC)cc1O	796352096	ZZOHWFWJONLSDD-CQSZACIVSA-N	267.325	1.832	10	20	CDCD	
C[C@@H]1COCC[C@@H]1CNCc1cc2c(cc1O)OCO2	796498613	XWIVZEYYGGCKNL-GHMZBOCLSA-N	279.336	1.883	10	20	CDCD	
Cc1ccc(NC(=O)c2cccc(O)c2O)c(O)n1	790931503	ZLOKFXSTRJSZEL-UHFFFAOYSA-N	260.249	1.759	10	20	CDCD	
CC[C@@H](N[C@@H](C)C(=O)N(C)C)c1ccccc1O	36794092	MDGRUVQHHVTTLA-CMPLNLGQSA-N	250.342	1.910	10	20	CDCD	
CC(C)OC(=O)CN(C)c1ccc2c(c1)OCO2	1319719892	HXZDNELKBVCFBI-UHFFFAOYSA-N	251.282	1.803	10	20	CDCD	
Cc1c(C(=O)NCc2ccc(O)c(O)c2)ccc2cncn12	1323550601	FJHQUTJYLDKVNS-UHFFFAOYSA-N	297.314	1.984	10	20	CDCD	
CC[C@H](C)[C@@H](C)NC(=O)C(=O)N(C)Cc1ccccc1O	1323055948	GCAVWCYKJSACRA-NWDGAFQWSA-N	292.379	1.901	10	20	CDCD	
CSC[C@@](C)(O)CNC(=O)NCc1ccc(N)cc1	1338793427	PHHMKOPPCQHSOT-ZDUSSCGKSA-N	283.397	1.182	10	20	CDCD	
COC1CC(C(=O)NCc2ccc(N(C)C)cc2)C1	1330029667	UQPKILMLNLFMKX-UHFFFAOYSA-N	262.353	1.794	10	20	CDCD	
O=C(O)[C@H]1C=C[C@H](NCc2cc(F)cc(F)c2O)C1	1339241090	MZTOUBIDSHDHCP-XVKPBYJWSA-N	269.247	1.789	10	20	CDCD	
CC1=NO[C@](C)(C(=O)NCc2cc(C)ccc2O)C1	1336036484	XHORHKRGIGGLHW-AWEZNQCLSA-N	262.309	1.872	10	20	CDCD	
CCN(Cc1ccc(N)cc1)[C@H](C)CS(=O)(=O)CC	1356083603	USRHLYOVFPFNFS-GFCCVEGCSA-N	284.425	1.914	10	20	CDCD	
CCOCCO[C@@H](C)C(=O)NCc1ccc(N)cc1	1356226905	DEGWZDUFRQEDTA-NSHDSACASA-N	266.341	1.327	10	20	CDCD	
Nc1ccc(CN[C@@H](C[C@@H]2CCCO2)C(=O)O)cc1	1601216125	OSWVESUUPHRMBA-STQMWFEESA-N	264.325	1.381	10	20	CDCD	
C[C@H]1CN(Cc2ccccc2O)C[C@@H](C(=O)O)O1	1607477008	QDPLUIOABSIHKA-CABZTGNLSA-N	251.282	1.066	10	20	CDCD	
C[C@@H]1C[C@@H](CN(C)c2ccc(OCC(=O)O)cc2)CCN1	1609842787	RAMCYFLPTQHMKY-OLZOCXBDSA-N	292.379	1.974	10	20	CDCD	
Cc1cc(O)c(CN2CCN[C@H](CCO)C2)cc1Cl	1579637961	KYLOIDGBPKCRCV-GFCCVEGCSA-N	284.787	1.510	10	20	CDCD	
CC(=O)C(=O)CSc1ccc(C)cc1-c1nn[nH]n1	1588781469	DJZHKDFCIGUXKP-UHFFFAOYSA-N	276.321	1.425	10	20	CDCD	
C[C@H]1C[C@@](NCc2ccc(N(C)C)cc2)(C(=O)O)CCO1	1776599413	AGWAWBLKXHYFTN-BLLLJJGKSA-N	292.379	1.865	10	20	CDCD	
COc1ccc(O)c(CNc2cc(C(=O)O)ncn2)c1	1777367697	QBTTUOUCLSAJAB-UHFFFAOYSA-N	275.264	1.501	10	20	CDCD	
Cc1cccc(CNCC(C)(C)N2CCN(C)CC2)c1O	158099884	VBMHQDPQOOPHCU-UHFFFAOYSA-N	291.439	1.816	10	20	CDCD	
O=C(COc1ccccc1)NCc1ccc(O)c(O)c1	158931558	XJHQGVZVXHUBPQ-UHFFFAOYSA-N	273.288	1.793	10	20	CDCD	
COc1cccc(CNC[C@@]2(O)CCO[C@@H]2C)c1O	227968587	OBDGPBVOEZQIGP-YGRLFVJLSA-N	267.325	1.030	10	20	CDCD	
COc1cc(Cl)cc(CNC[C@@H]2COCCO2)c1O	228671586	UMWGRNFBFOYFNA-LLVKDONJSA-N	287.743	1.559	10	20	CDCD	
COc1cc(Cl)cc(CN2C[C@@H]3CNC[C@@H]3C2)c1O	228667863	WBZAGMAMXTZQFL-PHIMTYICSA-N	282.771	1.705	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC[C@@H](O)C(F)(F)F)c1	119995124	XEXQSQXCMUTAMP-RDDDGLTNSA-N	279.258	1.975	10	20	CDCD	
Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(O)cc1F	85203909	XGXKHAIZCKDVJY-UHFFFAOYSA-N	285.300	1.672	10	20	CDCD	
COCC(COC)NCc1cccc(Cl)c1O	388422030	IGWFGYFZBHIXQY-UHFFFAOYSA-N	259.733	1.797	10	20	CDCD	
COc1cccc(CNCCCN2CCN(C)CC2)c1O	20128412	RDMGUPYYSQUQNC-UHFFFAOYSA-N	293.411	1.128	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2ccnn2C)c1	114541935	WVRIJYCQYOPOQE-UHFFFAOYSA-N	261.281	1.064	10	20	CDCD	
COC(=O)N[C@H](C(=O)NCc1ccccc1O)C(C)C	66622668	CHTQKYIFQKBNJL-LBPRGKRZSA-N	280.324	1.389	10	20	CDCD	
O=C(NCC1CCSCC1)c1cccc(O)c1O	126551739	ZPKGEIMJSYNGRG-UHFFFAOYSA-N	267.350	1.971	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2C[C@H]3[C@@H](O)CC[C@H]3C2)c1O	123972397	XXFNLTDTRGOGMB-VQISRLSMSA-N	293.338	1.937	10	20	CDCD	
COC(C)(C)CNC(=O)/C=C/c1ccc(O)c(O)c1	181131953	WIDBKFQGNUQWQC-FNORWQNLSA-N	265.309	1.652	10	20	CDCD	
CN(CC(=O)NCc1ccco1)c1ccc2c(c1)OCO2	121366566	XXXKDPFQGKXWEI-UHFFFAOYSA-N	288.303	1.761	10	20	CDCD	
Cc1ccc(C(=O)NCc2cccc(CO)c2)c(O)c1O	182585611	BNGODYXHWSECIV-UHFFFAOYSA-N	287.315	1.829	10	20	CDCD	
CC[C@@H](NC1CN(C(=O)OC)C1)c1ccccc1O	186290450	IGCPNXXGIGZERP-GFCCVEGCSA-N	264.325	1.884	10	20	CDCD	
COCCO[C@H]1CCN(Cc2cc(OC)c(C)cc2O)C1	188909887	POEJHGCEALBASG-AWEZNQCLSA-N	295.379	1.947	10	20	CDCD	
COc1cccc(CNC(=O)c2cncc(F)c2)c1O	133041907	JTSKSIRSYCBOHF-UHFFFAOYSA-N	276.267	1.865	10	20	CDCD	
CN(C)C(=O)N1CCN(Cc2ccc(N(C)C)cc2)CC1	133529750	NKDHBXXRZDFHMU-UHFFFAOYSA-N	290.411	1.552	10	20	CDCD	
C[C@H]1C[C@H]1CNC(=O)c1cc(NS(C)(=O)=O)ccc1O	49249462	PWTMHOWATNMLRC-IUCAKERBSA-N	298.364	1.150	10	20	CDCD	
CCC[C@H](CNC(=O)c1cccc(O)c1O)OC	293740804	SFIMPCQOYMXDOV-SECBINFHSA-N	253.298	1.643	10	20	CDCD	
CCN(CC)c1ccc([C@@H]2NC(=O)CN2C)cc1F	265779106	NSTFMCFETPCWEV-CQSZACIVSA-N	265.332	1.732	10	20	CDCD	
NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1ccccc1O	368975408	RAYGUIVNLZQVMN-QKCSRTOESA-N	260.337	1.478	10	20	CDCD	
COC[C@H](NC(=O)NCc1ccccc1O)[C@H]1CCCO1	279555240	RSBXQRVOWGCTRU-GXTWGEPZSA-N	294.351	1.385	10	20	CDCD	
Cc1ccc([C@H](C)N[C@H](CO)c2cnn(C)c2)c(O)c1	273490436	OCMBNWPAKVOWNH-SMDDNHRTSA-N	275.352	1.818	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN(C)CC2CC(O)C2)c1O	278319831	GANDXGDYHLTIBG-UHFFFAOYSA-N	296.323	1.512	10	20	CDCD	
CCOCCN[C@@H](C)c1cc(C(=O)OC)ccc1O	273425006	TWSPOTAULNBSRY-JTQLQIEISA-N	267.325	1.866	10	20	CDCD	
C[C@H](NC(=O)c1c(F)ccc(O)c1O)[C@H]1CCCCO1	294888594	GEHBUEIPAIUHRD-GZMMTYOYSA-N	283.299	1.924	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H](C)OCC	808093169	JARGARDJVZELFQ-SNVBAGLBSA-N	272.341	1.919	10	20	CDCD	
Oc1cc2c(cc1CN1CC3(CCOC3)C1)OCO2	294095375	RTDRVOKCLSKRHR-UHFFFAOYSA-N	263.293	1.343	10	20	CDCD	
COc1cc(O)c(CNC[C@H]2CCCO2)cc1OC	294918707	ASMYQMVGNGJCMW-LLVKDONJSA-N	267.325	1.678	10	20	CDCD	
CCCOc1ccc(CN2CC(NC(=O)NC)C2)c(O)c1	297538615	ZYVICMIBSOFFHN-UHFFFAOYSA-N	293.367	1.294	10	20	CDCD	
C[C@H](NC[C@H](N)c1ccc(N(C)C)cc1)[C@H]1CCCN1	817942975	SGSPMQDMOTWIIR-VBNZEHGJSA-N	276.428	1.483	10	20	CDCD	
CCOC(=O)[C@@H]1NCC[C@@H]1NCc1ccc2c(c1)CCO2	817902817	YPSYGLDCYOZKNQ-DZGCQCFKSA-N	290.363	1.005	10	20	CDCD	
COCCN(CCC(=O)O)Cc1cc2c(cc1O)OCO2	904269491	ICFILCQQFNKKBG-UHFFFAOYSA-N	297.307	1.044	10	20	CDCD	
CCOC(=O)[C@@H]1CSCN1C(=O)c1cccc(O)c1O	907903040	QRMYHCKIJMJXMT-VIFPVBQESA-N	297.332	1.176	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)Nc2ncn(C)n2)c1	836663034	DOUIPBPCHGEMNX-MRVPVSSYSA-N	291.311	1.412	10	20	CDCD	
CCS(=O)(=O)NCCN1CCCc2cc(OC)ccc21	731664596	OPGMGPZKZKHUQD-UHFFFAOYSA-N	298.408	1.387	10	20	CDCD	
CCC1(CNC(=O)NCc2cc(OC)ccc2O)COC1	838475155	XXALNTUZNHKJFP-UHFFFAOYSA-N	294.351	1.627	10	20	CDCD	
COCCN1CCC[C@H](NC(=O)c2cc(O)cs2)C1	732288578	DPDZSTYKSJEPIQ-JTQLQIEISA-N	284.381	1.294	10	20	CDCD	
CCOCCO[C@H](C)C(=O)NCc1ccc(O)cc1O	910951319	DYWFIOUDIWQLCI-SNVBAGLBSA-N	283.324	1.156	10	20	CDCD	
Cc1cccc(N(C)C(=O)/C=C\c2cnn(C)c2)n1	735812657	PCNSMJZQTPQCLA-FPLPWBNLSA-N	256.309	1.800	10	20	CDCD	
C[C@@]1(CNCc2ccc3c(c2)CCO3)CCC(=O)N1	835062201	ZAUQIDSDYDCRQP-HNNXBMFYSA-N	260.337	1.380	10	20	CDCD	
COc1ccc(N(C)Cc2nc(N)nc(N(C)C)n2)cc1	844353566	YVAXJEDQDSEZPO-UHFFFAOYSA-N	288.355	1.165	10	20	CDCD	
Oc1ccc(-c2csc(N3CCNCC3)n2)cc1O	841491163	KKYBULMCQBIWGO-UHFFFAOYSA-N	277.349	1.631	10	20	CDCD	
CC(=O)N[C@H](C(=O)NCc1ccc(O)cc1O)C(C)(C)C	910943833	IIVPQJNRDLOGQZ-CYBMUJFWSA-N	294.351	1.265	10	20	CDCD	
C[C@@H](CC(=O)NCc1ccccc1O)n1ccnc1	845832280	AJEFOBVJRRHIOJ-NSHDSACASA-N	259.309	1.856	10	20	CDCD	
COCCONC(=O)NCc1ccc(N2CCCC2)cc1	749001321	STSXBMBAAVPCKM-UHFFFAOYSA-N	293.367	1.664	10	20	CDCD	
O=C(O)C1(C(=O)NCc2ccccc2O)CC=CC1	852942066	DOOGPVXCBOXKLC-UHFFFAOYSA-N	261.277	1.429	10	20	CDCD	
COc1ccc(N(C)C[C@H]2CCC(=O)O2)cc1F	851807864	IGQQPCYIPYGLHN-SNVBAGLBSA-N	253.273	1.976	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCCN1C=O	854325003	UYZPFTSDBBLPCJ-OAHLLOKOSA-N	289.379	1.332	10	20	CDCD	
CC(C)[C@@H](C)NC(=O)COC(=O)c1cccc(O)c1O	758561019	ZTJVEQPSDRMGBA-SECBINFHSA-N	281.308	1.415	10	20	CDCD	
CC(C)N1CCC[C@H]1C(=O)NCc1ccccc1O	934936270	QQARCTAKCHDIOB-ZDUSSCGKSA-N	262.353	1.881	10	20	CDCD	
COc1cc(CCC(=O)NCc2cc(C)ccc2O)on1	862753111	BMISZRWMACLEJM-UHFFFAOYSA-N	290.319	1.946	10	20	CDCD	
CCC(=O)N1CC[C@H](NC(=O)c2cc(O)cs2)C1	762578153	DWYHQCXPVYBTIL-QMMMGPOBSA-N	268.338	1.194	10	20	CDCD	
CCN(C)c1ccc([C@@H](C)NC[C@@H]2COCCN2)cc1	863544690	BITUBBKOHHIHMU-UKRRQHHQSA-N	277.412	1.782	10	20	CDCD	
O=C(/C=C/C1CCOCC1)NCc1ccc(O)c(O)c1	778913676	ASIJCNYLAWZWRT-DUXPYHPUSA-N	277.320	1.697	10	20	CDCD	
Cc1ccc(CN2CC[S@@](=O)C[C@@H](C)C2)c(O)c1	877477680	HJPYEXJJMHVSPH-KPZWWZAWSA-N	267.394	1.901	10	20	CDCD	
C[C@H](NCC(=O)N1CCOCC1)c1c(O)cccc1F	886562303	WFDDGHDBENLDIY-JTQLQIEISA-N	282.315	1.041	10	20	CDCD	
C[C@H]1OCC[C@@H]1NCc1ccc(N2CCN(C)CC2)cc1	771866685	UNKSGEXIAKEOGS-PBHICJAKSA-N	289.423	1.705	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@H]2C[C@@H]2F)cc1F	1120960505	DYABWKPKFAGQPO-UWVGGRQHSA-N	254.280	1.866	10	20	CDCD	
COc1ccc(CN[C@@]2(CCO)CCOC2)c(O)c1OC	894069625	DRTHJIABGBBWEI-HNNXBMFYSA-N	297.351	1.041	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NOCCOC	789337335	PFOUEXJEGZOFIA-UHFFFAOYSA-N	295.383	1.862	10	20	CDCD	
C[C@@H]1C[C@H](O)CN1Cc1ccc(N2CCOCC2)c(F)c1	788266760	BJCUXMSMLAKBHU-OCCSQVGLSA-N	294.370	1.617	10	20	CDCD	
COc1cccc(CN2CC(=O)N(C)C[C@@H]2C)c1O	783734589	ULEOQMIZXOWDOB-JTQLQIEISA-N	264.325	1.063	10	20	CDCD	
CCN(CC(=O)NC)Cc1cc(C)cc(OC)c1O	893939208	AKFFQNPAZLYCNA-UHFFFAOYSA-N	266.341	1.277	10	20	CDCD	
COc1ccc(CNC[C@H](C)C[C@H](C)O)c(O)c1OC	893043102	SUMQZDOCRVPOJP-MNOVXSKESA-N	283.368	1.906	10	20	CDCD	
COc1ccnc(NC(=O)c2c(F)ccc(O)c2O)c1	790075785	NXYOQMMEEXSDRH-UHFFFAOYSA-N	278.239	1.893	10	20	CDCD	
Oc1cc2c(cc1CNCCCn1cccn1)OCO2	134491366	PHXUWNITODWBHK-UHFFFAOYSA-N	275.308	1.497	10	20	CDCD	
CN(Cc1ccccc1O)C[C@@H](O)Cn1cccn1	171926517	WVAIEUUOOVJRIC-CYBMUJFWSA-N	261.325	1.082	10	20	CDCD	
Oc1c(F)cc(F)cc1CN1C[C@H]2COC[C@H]2C1	718152447	GVOGQOAYUFFLKV-AOOOYVTPSA-N	255.264	1.749	10	20	CDCD	
CCO[C@@H]1C[C@@H](NC(=O)NCc2ccc(N)cc2)[C@H]1OC	1338596590	RRUHNTLKRQHQEE-MGPQQGTHSA-N	293.367	1.260	10	20	CDCD	
COCCCOCC(=O)Nc1c(Cl)ccc2nonc12	1342953659	YBFUDOPUOSBKJF-UHFFFAOYSA-N	299.714	1.868	10	20	CDCD	
O=C(c1cccc(O)c1O)N1C2CCC1(C(=O)O)CC2	1609029008	CNBMEWXGTDIWSQ-UHFFFAOYSA-N	277.276	1.320	10	20	CDCD	
C[C@H](NC[C@H]1COCCN1C)c1cc(C(=O)O)ccc1O	1604339217	UTKLEMZTGLNZHM-JQWIXIFHSA-N	294.351	1.072	10	20	CDCD	
Cc1ccc(C(=O)NC2(c3ccccc3)CNC2)c(O)c1O	1579661123	INLIOFRGKRYANB-UHFFFAOYSA-N	298.342	1.635	10	20	CDCD	
O=C(O)CN1CCC(N[C@@H]2CCc3cccc(O)c32)CC1	1595078829	BLMLDNGQGMVEAK-CYBMUJFWSA-N	290.363	1.518	10	20	CDCD	
Cc1ccc([C@@H](C)NCCOCCN(C)C)c(O)c1	219313240	UMPUGQJDWOURQT-CYBMUJFWSA-N	266.385	1.929	10	20	CDCD	
CCNC(=O)[C@H](C)N[C@H](C)c1ccc(N(C)C)cc1	37268346	DGTIZGYZUPXSAC-NEPJUHHUSA-N	263.385	1.928	10	20	CDCD	
NC(=O)C[C@H]1CCN(Cc2cccc(Cl)c2O)C1	368133710	KCGUTHSHYMNIAM-SECBINFHSA-N	268.744	1.743	10	20	CDCD	
CO[C@@H]1CCOC[C@H]1NCc1cc(C)ccc1O	724897787	VHIBENAWEVOFRZ-TZMCWYRMSA-N	251.326	1.594	10	20	CDCD	
Oc1cc2c(cc1CN1CCN(CC3CC3)CC1)OCO2	54551138	HKGITTFWVPYOPW-UHFFFAOYSA-N	290.363	1.649	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C1(O)CCOCC1	120798996	NEAGMHRBNGXUHP-UHFFFAOYSA-N	292.379	1.253	10	20	CDCD	
C[C@@H](C[S@@](C)=O)N(C)Cc1ccc(N(C)C)cc1	131182491	RRTLSXVYWLWYBT-SGTLLEGYSA-N	268.426	1.951	10	20	CDCD	
Cc1cccc(CNCC2(O)CCOCC2)c1O	124797483	VAEOEGIIYKDJEU-UHFFFAOYSA-N	251.326	1.332	10	20	CDCD	
Cc1ccc(C(=O)N[C@H](CO)c2ccccc2)c(O)c1O	182965785	KRYSRENZLLGKHP-CYBMUJFWSA-N	287.315	1.870	10	20	CDCD	
CCN(CCO)CCNCc1cc(C)c(C)cc1O	184542128	YZYQPFPXZSYDBJ-UHFFFAOYSA-N	266.385	1.413	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)NCC(=O)N1CCCC1	79071513	NLLVWYFOWJLMAE-UHFFFAOYSA-N	291.351	1.156	10	20	CDCD	
Cc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)c(O)c1O	182504476	WOYHNPZVSYDNMF-NSHDSACASA-N	278.352	1.572	10	20	CDCD	
COCCCC(=O)N1CCN(c2ccc(OC)cc2)CC1	77896153	SSWMBLLXFNOKBA-UHFFFAOYSA-N	292.379	1.770	10	20	CDCD	
CCOc1cccc(CN2CCNC(=O)[C@H]2C(C)C)c1O	93054912	HGVWEHDGHGBRIN-CQSZACIVSA-N	292.379	1.747	10	20	CDCD	
Cc1c(CNC(=O)Cn2cnnc2O)n(C)c2ccccc12	527476693	MPOKNGMOELRXMG-UHFFFAOYSA-N	299.334	1.100	10	20	CDCD	
CC(C)N(C)CCNCc1cc2c(cc1O)OCO2	54111490	CYZGCEKJHMQUGE-UHFFFAOYSA-N	266.341	1.551	10	20	CDCD	
CN(Cc1ccccc1O)S(=O)(=O)C[C@@H]1CCOC1	265858286	ZYVRRUUCLMUDOU-LLVKDONJSA-N	285.365	1.190	10	20	CDCD	
CN(C)c1ccc(CN[C@H](CO)c2cnn(C)c2)cc1	270247829	UBGDAOVLVCKWPK-OAHLLOKOSA-N	274.368	1.309	10	20	CDCD	
C[C@@H](NC[C@H](O)c1cnn(C)c1)c1ccccc1O	272879870	QJWLOSXRTNEXMX-YGRLFVJLSA-N	261.325	1.510	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1C=C[C@H](CO)C1	272627741	JZRULICVARROPN-CXILLOQGSA-N	275.304	1.164	10	20	CDCD	
COCCOCCS(=O)(=O)Nc1ccc(O)c(C)c1	271985166	XZUXCBCUBDFEJY-UHFFFAOYSA-N	289.353	1.105	10	20	CDCD	
COc1ccc(O)c(CN2CCO[C@@]3(CCO[C@H]3C)C2)c1	279707335	SAORYAXVCDDRJQ-LRDDRELGSA-N	293.363	1.781	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H]2CCN3CCC[C@H]3C2)c(O)c1O	378555491	DFKXDSCPCCZQRU-NEPJUHHUSA-N	290.363	1.763	10	20	CDCD	
CC[C@H](NCC[C@@H](O)COC)c1ccc(F)cc1O	286342986	YYHGNAPSVHXREM-YPMHNXCESA-N	271.332	1.969	10	20	CDCD	
O=[N+]([O-])c1cc(Cl)cc(CN[C@H]2C[C@@H](O)C2)c1O	294939003	VCNRLNFSQZWYCQ-DTORHVGOSA-N	272.688	1.567	10	20	CDCD	
C[C@@H](N[C@H]1CCc2cccc(O)c21)C(=O)NCCF	296246971	BAPSIAWLFKZQKX-KOLCDFICSA-N	266.316	1.443	10	20	CDCD	
C[C@H](NCc1nnn(C)n1)c1ccc2ccccc2c1O	398099486	HARNPRWHGPGJLK-JTQLQIEISA-N	283.335	1.920	10	20	CDCD	
CCn1ccnc1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	291585168	CTQSWBZWMOIHTA-JTQLQIEISA-N	289.335	1.675	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)C[S@](=O)CC)cc1	294802507	IMFSFPFYQSISRZ-HXUWFJFHSA-N	296.436	1.918	10	20	CDCD	
Cc1ccc(C(=O)OCc2ncnn2CCF)c(O)c1O	801251637	NWGNIDZUACGVSH-UHFFFAOYSA-N	295.270	1.324	10	20	CDCD	
CC(C)(CCC(=O)O)NC(=O)/C=C/c1ccc(O)c(O)c1	819940550	PAWXAGIADZXGDL-GQCTYLIASA-N	293.319	1.871	10	20	CDCD	
CNC(=O)NCCC(=O)N[C@@H](C)c1ccc(N(C)C)cc1	816180438	PILGCHFUTHYBAT-NSHDSACASA-N	292.383	1.249	10	20	CDCD	
c1cc2c(cc1CN[C@@H](C1CC1)[C@@H]1CNCCO1)CCO2	817902198	KPTJMUFZTKORBK-IRXDYDNUSA-N	288.391	1.478	10	20	CDCD	
COc1ccc(O)c(CNCC2(CC(N)=O)CC2)c1	817410293	ADZVIMBABRNDHJ-UHFFFAOYSA-N	264.325	1.146	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)[C@@H]1CCN1C1CCCC1	821070832	OCARDANOAWFKEQ-ZDUSSCGKSA-N	290.363	1.731	10	20	CDCD	
CN(C)c1ccc(CN[C@H](CC(F)F)C(=O)O)cc1	901814516	UYRLPLSBQKVRFU-LLVKDONJSA-N	272.295	1.951	10	20	CDCD	
CCN1C(=O)/C(=C/c2cncn2C)SC1=S	901415584	LDOOQHOOTCSRJH-YWEYNIOJSA-N	253.352	1.641	10	20	CDCD	
CN(C)c1ccc([C@@H](N)CNC[C@@H](N)CC(F)F)cc1	903917929	OVUYXWUEIIBBFP-AAEUAGOBSA-N	286.370	1.325	10	20	CDCD	
CN(CCCC(=O)NCc1ccccc1O)C(=O)O	737427359	QTOJAUUSNYMLLV-UHFFFAOYSA-N	266.297	1.398	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N1CC[C@@H](CCCO)C1	837190599	CPJSVKRFTLWKLL-RYWCDNDXSA-N	291.347	1.732	10	20	CDCD	
Oc1c(F)cccc1CN1CCC[C@H]2CNC[C@H]21	841027001	HFEUVACSWKBBFS-GXFFZTMASA-N	250.317	1.715	10	20	CDCD	
C[C@@H]1CCN[C@@H](C(=O)NCCc2ccc(N)cc2)C1	841848116	VOBUHFARUVSFSV-BXUZGUMPSA-N	261.369	1.316	10	20	CDCD	
Nc1ccc(NC(=O)N2CCOCC(F)(F)C2)cc1	841300038	QVWDXOWGPRLYAE-UHFFFAOYSA-N	271.267	1.768	10	20	CDCD	
CC[S@@](=O)CCN[C@@H](C)c1cccc(OC)c1O	846148196	XQCFLJQXFVXPCM-XTZNXHDOSA-N	271.382	1.820	10	20	CDCD	
COc1cc(Cl)cc(CN[C@H]2[C@@H]3CNC[C@@H]32)c1O	841080710	PQADTYFXSCDASU-IAZYJMLFSA-N	268.744	1.362	10	20	CDCD	
CC[C@H](C)NC(=N)NCc1cc(OC)ccc1O	849009075	YYTFICQBDVTJNL-VIFPVBQESA-N	251.330	1.813	10	20	CDCD	
COc1ccc(CNC(=O)[C@@H]2CCCCN2)c(O)c1	843499357	FPVJRHKBVKJAOG-LBPRGKRZSA-N	264.325	1.159	10	20	CDCD	
CN(C)c1ccc(CN[C@@H](CO)CCF)cc1F	846095919	CMIXKYAWYYYYHZ-LLVKDONJSA-N	258.312	1.702	10	20	CDCD	
CC[C@@H](CN1CCOCC1)NCc1ccccc1O	922589372	KDWHJTWCSPAISE-AWEZNQCLSA-N	264.369	1.593	10	20	CDCD	
Oc1ccc(Cl)c(F)c1CN[C@H]1[C@@H]2CNC[C@@H]21	841079608	KBXLIQPOFRGOBW-IYOMYWLESA-N	256.708	1.492	10	20	CDCD	
C[C@H](O)[C@H](O)CN(Cc1ccc(N(C)C)cc1)C1CC1	929294514	DYUZOSXZCFFSOM-BLLLJJGKSA-N	278.396	1.459	10	20	CDCD	
CN(C)c1ccc(CNC[C@@H]2CNCCCO2)cc1F	841087306	UHSUHPCTTHZSAG-ZDUSSCGKSA-N	281.375	1.360	10	20	CDCD	
C[C@H](NCCN1CC[C@H](O)C1)c1cc(Cl)ccc1O	858601361	FRCKROOACIRWLX-JQWIXIFHSA-N	284.787	1.763	10	20	CDCD	
CN(C)c1cc(F)c(CNCc2nncn2C)cc1F	858094453	PICPQFPPXLQRGS-UHFFFAOYSA-N	281.310	1.449	10	20	CDCD	
COC[C@@H](C)N[C@@H](C)c1cc([N+](=O)[O-])ccc1O	756343243	WGGCISKTFZGCNE-BDAKNGLRSA-N	254.286	1.986	10	20	CDCD	
CCOC(=O)C1=NN(c2ccccc2F)C(=O)[C@@H]1C	871942592	VWEAFXHXXLPHLE-MRVPVSSYSA-N	264.256	1.728	10	20	CDCD	
CCOc1ccc(CN(CCO)C(C)C)c(O)c1	768176069	YPEBKHQWLYXFHA-UHFFFAOYSA-N	253.342	1.994	10	20	CDCD	
CC(C)(C)OC(=O)C(=O)NCCc1ccc(O)c(O)c1	764868712	NTJBTKPVABROGP-UHFFFAOYSA-N	281.308	1.098	10	20	CDCD	
Cc1cc(CC(=O)NCCc2ccc(O)c(O)c2)no1	768900236	BNCYTKZZUBUYAH-UHFFFAOYSA-N	276.292	1.296	10	20	CDCD	
N[C@@]1(C(=O)NCc2ccc(N3CCCC3)cc2)CC1(F)F	870866339	ZEFZNQCPUQFXMG-CQSZACIVSA-N	295.333	1.640	10	20	CDCD	
Cc1nnc(CCC(=O)NCc2ccccc2O)o1	1119102179	UJIQUPNKYNSRAW-UHFFFAOYSA-N	261.281	1.333	10	20	CDCD	
Cc1cccc(O)c1CN1CCCN(S(C)(=O)=O)CC1	876561445	KASSFXSKXJHDMP-UHFFFAOYSA-N	298.408	1.168	10	20	CDCD	
CCOCCOC[C@@H](O)CN[C@@H](C)c1ccccc1O	775130606	MQBKHMUXZRLLCG-STQMWFEESA-N	283.368	1.457	10	20	CDCD	
C[C@@H](NCCCS(=O)(=O)N(C)C)c1ccccc1O	879649283	PBFIGJWUPIZZCC-LLVKDONJSA-N	286.397	1.324	10	20	CDCD	
Cc1nn(C)cc1Cn1cc(COc2ccc(N)cc2)nn1	881354608	UUYATRNTBLXWFI-UHFFFAOYSA-N	298.350	1.530	10	20	CDCD	
CCOC(=O)[C@](C)(O)CN[C@H](C)c1cc(OC)ccc1O	771765628	CMKLXXSKKLWXIT-MEBBXXQBSA-N	297.351	1.366	10	20	CDCD	
COC(=O)c1cnc(SCc2cn(C)cn2)s1	882173379	HNPGYQZOKRWUEQ-UHFFFAOYSA-N	269.351	1.956	10	20	CDCD	
COc1cccc(CNC(=O)c2ccc3cncn3c2)c1O	786410871	VFDNVFHRGZVYSD-UHFFFAOYSA-N	297.314	1.979	10	20	CDCD	
COc1ccc(CN[C@@H](CO)C2CCOCC2)cc1C	782388502	FYSSDQBSDIUSMW-HNNXBMFYSA-N	279.380	1.881	10	20	CDCD	
O=C(NCCCSc1nccs1)C12CC(CN1)C2	1121955547	SDJRRPSPZYZPPC-UHFFFAOYSA-N	283.422	1.494	10	20	CDCD	
COc1cc(C)cc(CN2CCC[C@H](OCCO)C2)c1O	894016321	AXUUVIRWBXVYCU-AWEZNQCLSA-N	295.379	1.683	10	20	CDCD	
COc1ccc(CN2CCC(C(N)=O)CC2)c(O)c1OC	891453472	PVPQZOWWWKPOSV-UHFFFAOYSA-N	294.351	1.107	10	20	CDCD	
CC[C@H](NC(=O)c1c(F)ccc(O)c1O)[C@@H]1CCCO1	790075780	NTYGYLFYBRHJQG-ONGXEEELSA-N	283.299	1.924	10	20	CDCD	
COc1ccc(CNC(=O)[C@H]2CCCN2C)c(O)c1	794378200	DMXGEUNMILBHQD-GFCCVEGCSA-N	264.325	1.111	10	20	CDCD	
CC[C@]1(NC(=O)/C=C/c2ccc(O)c(O)c2)CCOC1	791428219	IKWKPOMKVWOOTA-DRDHIDPGSA-N	277.320	1.796	10	20	CDCD	
O=C(NCc1ccccc1O)[C@@H]1CC(c2cccnc2)=NO1	790793379	AJNOBOTZYMVVKP-HNNXBMFYSA-N	297.314	1.597	10	20	CDCD	
CCCN(CC(=O)NC)Cc1cccc(OCC)c1O	133298171	HZDGGMDYLIIJTO-UHFFFAOYSA-N	280.368	1.749	10	20	CDCD	
Cc1cccc(CNCCC(=O)N2CCOCC2)c1O	135757492	SRWCATVIQFWZCC-UHFFFAOYSA-N	278.352	1.039	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCC(C2OCCO2)CC1	275013796	XTJAOIKGDOPRTL-UHFFFAOYSA-N	293.319	1.323	10	20	CDCD	
CN(Cc1ccccc1O)Cc1nnnn1C1CC1	109772319	IZSWMVOJLZEVDS-UHFFFAOYSA-N	259.313	1.346	10	20	CDCD	
COc1ccc(O)c(CNC[C@@H]2CC[C@@H](O)C2)c1	187986659	QEHRNRVTVRUSCJ-ZYHUDNBSSA-N	251.326	1.651	10	20	CDCD	
COc1ccc(CNC[C@@H](C)S(C)(=O)=O)cc1C	697580753	WAHJPJAFRSDTRH-LLVKDONJSA-N	271.382	1.526	10	20	CDCD	
COCCO[C@H]1C[C@@H](CO)CN(Cc2ccc(N)cc2)C1	1334774462	ILBJJZCUUUYWQJ-ZBFHGGJFSA-N	294.395	1.115	10	20	CDCD	
C[C@H]1NCC[C@H]1C(=O)N(C)Cc1ccc(N(C)C)cc1	92953815	BANZFHINKVVVQL-IUODEOHRSA-N	275.396	1.709	10	20	CDCD	
Cc1cc(O)c(CNCC2(C(=O)O)CCOCC2)cc1C	1349314748	XXLBCGPAKABVJZ-UHFFFAOYSA-N	293.363	1.980	10	20	CDCD	
CN1CCCC[C@H](C(=O)NCc2ccc(N)cc2)C1=O	1343473566	ODBBVOJXDOEZOW-CYBMUJFWSA-N	275.352	1.144	10	20	CDCD	
Cn1c(O)nc(NCCCSc2nccs2)cc1=O	1354110163	XCFOMDXWDMGWEE-UHFFFAOYSA-N	298.393	1.537	10	20	CDCD	
COCC[C@H](CO)N[C@H](C)c1cc(C(=O)O)ccc1O	1610252854	IIBNWKMUDWAFCZ-MWLCHTKSSA-N	283.324	1.138	10	20	CDCD	
CC(C)c1ccc(O)c(CNC[C@@](C)(O)C(=O)O)c1	1573567346	UUPZHFMVUGECFU-CQSZACIVSA-N	267.325	1.441	10	20	CDCD	
CN(C)c1ccc(CNc2ccc(C(=O)O)nn2)cc1	1598320435	FOFXXVUIPMJGQB-UHFFFAOYSA-N	272.308	1.853	10	20	CDCD	
O=C(/C=C\c1cccnc1)NCCc1ccc(O)c(O)c1	209317544	BKZRYNYLRSPVQB-XQRVVYSFSA-N	284.315	1.865	10	20	CDCD	
CCN1CCC[C@@H]1CNCc1cc(OC)ccc1O	20092042	SESPTDWOOCYTJT-CYBMUJFWSA-N	264.369	1.975	10	20	CDCD	
COc1ccc(O)c([C@H](C)NCCN2CCNC2=O)c1	808743442	CUBRPPLQRCDYJJ-JTQLQIEISA-N	279.340	1.077	10	20	CDCD	
CN(CCN(C)C1CC1)C(=O)Cc1ccc(N)cc1	832082504	NWNCOMHBRFZWFX-UHFFFAOYSA-N	261.369	1.364	10	20	CDCD	
NC[C@H]1CCCC[C@@H]1NC(=O)Cc1ccc(N)cc1	262627435	MENCRLWJAMNRGP-OCCSQVGLSA-N	261.369	1.445	10	20	CDCD	
COC[C@@]1(C)CCN(C(=O)c2cccc(O)c2O)C1	294091294	BFVMMRXPXIMXCS-AWEZNQCLSA-N	265.309	1.596	10	20	CDCD	
CCc1cccc(CN2C[C@H](OC)[C@H](OC)C2)c1O	709349809	CBZYQRSOKXEAPV-OKILXGFUSA-N	265.353	1.800	10	20	CDCD	
CN(CCOC[C@H]1CCCO1)c1ccc(N)cc1	693045605	PGXVMNHNZUOUSJ-CQSZACIVSA-N	250.342	1.901	10	20	CDCD	
O=C1CN(Cc2c(O)ccc3ccccc23)CCN1	58593001	IQXPAQDPHIKQLV-UHFFFAOYSA-N	256.305	1.477	10	20	CDCD	
COC(=O)NCCC(=O)N(C)Cc1ccccc1O	107763521	XEJSNIIJYWVRCZ-UHFFFAOYSA-N	266.297	1.097	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2N)cc1	112810961	JHDKVKDUWWZHCA-UGQVUOCMSA-N	287.407	1.742	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2cn[nH]c2)c1	170900708	CRNQAWWRRKIUCT-MRVPVSSYSA-N	261.281	1.615	10	20	CDCD	
COc1cccc(CNC(=O)c2ccc3nccn3c2)c1O	171807717	HDAKVSUEHCUMGX-UHFFFAOYSA-N	297.314	1.979	10	20	CDCD	
CC(C)[C@@H](CNC(=O)c1cccc(O)c1O)C(=O)O	126043592	JMRBINSBSDTDRE-SECBINFHSA-N	267.281	1.184	10	20	CDCD	
Cc1cccc(CN2CCN(C[C@@H]3CCOC3)CC2)c1O	180578627	TTWKKMVDVDXQRG-HNNXBMFYSA-N	290.407	1.855	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NOCc1cccnc1	180874168	XCKKGVLPXRVLDC-GQCTYLIASA-N	286.287	1.754	10	20	CDCD	
CN(C)[C@H]1CCCC[C@H]1NC(=O)c1cccc(O)c1O	1116852124	UBZRSNLIMRCQMA-NEPJUHHUSA-N	278.352	1.700	10	20	CDCD	
CC(C)COC[C@H](O)CNCc1ccccc1O	134227397	ZNEFHCICFLLDHB-CYBMUJFWSA-N	253.342	1.515	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)C[C@@H]1CNCCO1	269237963	WCXAYEMGIMCWNV-CQSZACIVSA-N	292.379	1.509	10	20	CDCD	
CCCN(CCO)Cc1cc(OCC)ccc1O	271053253	XSOFYBNRFTVXAJ-UHFFFAOYSA-N	253.342	1.995	10	20	CDCD	
CO[C@@H](CNC(=O)NCc1ccccc1O)C1CC1	296812053	ITLNQADTGGEFSH-ZDUSSCGKSA-N	264.325	1.616	10	20	CDCD	
Cc1ncc(COC(=O)c2cc(O)cs2)cn1	803345760	GPOBPTXGCLGICD-UHFFFAOYSA-N	250.279	1.909	10	20	CDCD	
CC(=O)C(=O)COC(=O)Cc1cccc(C(F)(F)F)c1	808487897	KPVOUQMLTDIPHE-UHFFFAOYSA-N	288.221	1.949	10	20	CDCD	
C[C@H](NC[C@@H](N)c1ccc(N(C)C)cc1)c1cnccn1	817938538	MRAQUXNDJLLKPD-SWLSCSKDSA-N	285.395	1.893	10	20	CDCD	
CNC(=O)c1cc(C)n(-c2ccc(-c3nn[nH]n3)cc2)c1C	736879766	ZRQMLNSABZWTBD-UHFFFAOYSA-N	296.334	1.634	10	20	CDCD	
C[C@@H]1CC[C@@H](CNC(=O)/C=C\c2ccc(O)c(O)c2)O1	837282169	HANLXBMAHIUGEE-BABHQGDISA-N	277.320	1.795	10	20	CDCD	
CC1(C)CN[C@H]1C(=O)NCc1c(O)ccc2c1CCCC2	830597407	HKLIMGBCHIBUIP-HNNXBMFYSA-N	288.391	1.885	10	20	CDCD	
O=C(NCCCSc1nccs1)[C@H]1COCCO1	733974326	MVQJVMLSAIXDEN-SECBINFHSA-N	288.394	1.157	10	20	CDCD	
O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccc(C(=O)O)[nH]1	833358885	ZOGBETJVKKSISZ-DHZHZOJOSA-N	297.270	1.174	10	20	CDCD	
C[C@H](CN)CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1	841882520	JSNUMIRXZHPDSJ-VXGBXAGGSA-N	278.400	1.708	10	20	CDCD	
COCC(COC)N[C@@H](C)c1cccc(OC)c1O	846167819	FHNUIQSHLBDGFH-JTQLQIEISA-N	269.341	1.713	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)NC[C@@H](C)N)cc1F	841799148	QEDLJTGQCXAHEG-LLVKDONJSA-N	296.390	1.818	10	20	CDCD	
CCOc1ccc(O)c(CNCC2(N)CCC2)c1	841052455	XMFWVUPLLRSCJP-UHFFFAOYSA-N	250.342	1.762	10	20	CDCD	
CCN(CC)CC(=O)NCc1ccc(O)cc1O	910950510	GLWQTRFPHVQFKI-UHFFFAOYSA-N	252.314	1.056	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2ncccn2)c1	743413595	YYYUKCDPWYBYNA-UHFFFAOYSA-N	259.265	1.121	10	20	CDCD	
COc1cc(CN2CC[C@H](C(=O)N(C)C)C2)c(O)cc1C	840174847	OLLXIFNVYVVZJZ-LBPRGKRZSA-N	292.379	1.619	10	20	CDCD	
O=C(NCc1cc(Cl)ccc1O)c1ncc[nH]1	857548135	FJKKZTYQBBJCAE-UHFFFAOYSA-N	251.673	1.699	10	20	CDCD	
CCOCCOCCCC(=O)NCc1ccc(N)cc1	850711627	PMEITOXETWXHEZ-UHFFFAOYSA-N	280.368	1.718	10	20	CDCD	
CN(CC1(C)COC1)C(=O)/C=C/c1ccc(O)c(O)c1	862762903	DVRORFPHEQHIGG-GQCTYLIASA-N	277.320	1.606	10	20	CDCD	
CC(C)OC(=O)[C@@H](C)N(C)C(=O)c1cc(O)cs1	760151551	DZHGELACFBIVPN-MRVPVSSYSA-N	271.338	1.866	10	20	CDCD	
CO[C@H]1CCN(Cc2ccc(N3CCOCC3)c(F)c2)C1	1116443615	CXJCSBDTFJSTBE-AWEZNQCLSA-N	294.370	1.883	10	20	CDCD	
CCNC(=O)NC(=O)[C@H](C)N[C@H](C)c1ccccc1O	879649143	MRCCIYCQHBQJTM-ZJUUUORDSA-N	279.340	1.277	10	20	CDCD	
CNC(=O)[C@H]1CCC[C@@H]1NCc1cc(F)ccc1O	779102181	RQKRFKATZFIHJE-RYUDHWBXSA-N	266.316	1.536	10	20	CDCD	
CCN(CCOCCO)Cc1c(C)cccc1O	877498962	ACCVSBLTPYBCEP-UHFFFAOYSA-N	253.342	1.531	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(C)(C)CO	776316873	SNDAZLLBOAXEQK-UHFFFAOYSA-N	264.369	1.730	10	20	CDCD	
COC(=O)[C@@H]1COCCN1Cc1ccc(C)cc1O	876727386	ZIKHPWORDJOZJB-LBPRGKRZSA-N	265.309	1.074	10	20	CDCD	
CCONC(=O)NCc1ccc(N2CCN(C)CC2)cc1	883626145	QVLKUYFOGLBAGQ-UHFFFAOYSA-N	292.383	1.189	10	20	CDCD	
COc1ccc(CNCCNC(=O)[C@H](C)SC)cc1C	1123948689	CRJIFBFNTUDRJX-LBPRGKRZSA-N	296.436	1.961	10	20	CDCD	
OC[C@@H](CNCc1cc(F)cc(F)c1O)[C@H]1CCOC1	883109326	MYZBMATZSPLRJO-GXSJLCMTSA-N	287.306	1.405	10	20	CDCD	
CN(Cc1cc(F)cc(F)c1O)CC1CC(O)C1	894533656	OJAFXRKLYRQHRH-UHFFFAOYSA-N	257.280	1.873	10	20	CDCD	
O=C(NCCc1cscn1)c1c(F)ccc(O)c1O	789997135	ZNMZDIDMZAPOHV-UHFFFAOYSA-N	282.296	1.666	10	20	CDCD	
CC(=O)OC1CCN(C(=O)c2cccc(O)c2O)CC1	790902995	SSXRHRZKZMZDFF-UHFFFAOYSA-N	279.292	1.266	10	20	CDCD	
CCNC(=O)CN(C)Cc1ccc(N2CCCC2)cc1	1204320935	AJMJSFLSRVTOLK-UHFFFAOYSA-N	275.396	1.855	10	20	CDCD	
CC(=O)N(C)Cc1nc(Cc2ccc(N)cc2)no1	1326202392	QDDPAFUZHWZHAO-UHFFFAOYSA-N	260.297	1.221	10	20	CDCD	
CN(Cc1ccccc1O)C[C@H](O)CN1CCCC1	749297038	JVJORLPSKRAJFQ-AWEZNQCLSA-N	264.369	1.281	10	20	CDCD	
CCOc1ccc(N2CCN(C[C@H](O)CC)CC2)cc1	1251782560	IXJWTABXFDGTPO-OAHLLOKOSA-N	278.396	1.978	10	20	CDCD	
CCN(CC)C(=O)C(=O)NCc1ccc(N(C)C)c(F)c1	1345507131	UDYFRWCFNGWRFT-UHFFFAOYSA-N	295.358	1.376	10	20	CDCD	
COC[C@H](NC(=O)NCc1ccc(N)cc1)[C@H]1CCCO1	1346429703	QYOULVJLVZDNLH-UONOGXRCSA-N	293.367	1.262	10	20	CDCD	
O=C(O)[C@H]1CCC[C@@H]1NCc1cc(F)ccc1O	1601807979	JPLXZSCGAPGRBT-QWRGUYRKSA-N	253.273	1.874	10	20	CDCD	
CC(C)C[C@H](N)CC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	1575644893	RVUSHJOBWCPMDK-AAEUAGOBSA-N	294.395	1.909	10	20	CDCD	
CCN1C[C@@H](NCc2c(O)cccc2OC)CC1=O	824887029	ORPHOVQFSFOYNV-JTQLQIEISA-N	264.325	1.111	10	20	CDCD	
COc1ccc(O)c(CN(C)[C@@H](C)C[S@](C)=O)c1	130956585	PIBQNJTWKWXFQG-XTZNXHDOSA-N	271.382	1.600	10	20	CDCD	
CC(C)OC[C@@H](O)CN(C)Cc1ccccc1O	269046864	NSJPBCXYLAQZGM-ZDUSSCGKSA-N	253.342	1.610	10	20	CDCD	
C[C@@H](NCC1(CO)CCOCC1)c1ccccc1O	183625269	WSIMFQYOJLKGPI-GFCCVEGCSA-N	265.353	1.832	10	20	CDCD	
COCCN(C)CCN[C@H](C)c1cc(C)ccc1O	61376358	CQDAPPHNDUFJSZ-CYBMUJFWSA-N	266.385	1.929	10	20	CDCD	
Cc1ccc(C(=O)NCc2ccc(O)nc2)c(O)c1O	179506656	QQYNJDRESRAGFH-UHFFFAOYSA-N	274.276	1.437	10	20	CDCD	
COc1ccc(O)c(CN2CC(=O)N[C@@H]3CCCC[C@@H]32)c1	179921853	NDDKEDOUWGCUTN-KGLIPLIRSA-N	290.363	1.644	10	20	CDCD	
C[C@@H]1[C@@H](C(=O)O)CCN1Cc1cc(F)ccc1O	235309318	LHXRMUYDOFDPCQ-KCJUWKMLSA-N	253.273	1.826	10	20	CDCD	
CC(C)NC(=O)CCN[C@H](C)c1ccccc1O	135719891	HEVXUHLGHLOZGV-LLVKDONJSA-N	250.342	1.958	10	20	CDCD	
NC(=O)CC[C@@H]1CCCN(C(=O)c2cccc(O)c2O)C1	193008809	FUMIFELKFBIJFC-JTQLQIEISA-N	292.335	1.216	10	20	CDCD	
COC(=O)Cn1ncc(NCc2cccc(C)c2O)c1C	192994463	UKZWMJMQTCWDMM-UHFFFAOYSA-N	289.335	1.991	10	20	CDCD	
CC(C)C(=O)NCCN[C@H](C)c1cc([N+](=O)[O-])ccc1O	273407614	OVDMNSWWOPWSKE-SNVBAGLBSA-N	295.339	1.723	10	20	CDCD	
Cc1ccc(C(=O)NCCn2ccnc2C)c(O)c1O	272860788	USPRJXHNADWHEW-UHFFFAOYSA-N	275.308	1.341	10	20	CDCD	
C[C@@H]1C[C@@H](N2CCOCC2)CN1Cc1cc(F)ccc1O	289550429	IMSLIXNICDAQQZ-IUODEOHRSA-N	294.370	1.826	10	20	CDCD	
Cc1ccc(C(=O)N2CCC[C@@H](O)CC2)c(O)c1O	294971735	SXNYXLHJKGVAIG-SNVBAGLBSA-N	265.309	1.393	10	20	CDCD	
CC[C@H](OC)C(=O)NCc1ccc(N(C)C)c(F)c1	299317153	HLRPHKBAKJSSDP-ZDUSSCGKSA-N	268.332	1.933	10	20	CDCD	
C[C@H](NCCN)c1ccc(Br)cc1O	817934966	ROVMBJSGZXZTPV-ZETCQYMHSA-N	259.147	1.764	10	20	CDCD	
CON1CCC(NCc2cc([N+](=O)[O-])ccc2O)CC1	817419301	SUCLZGUWHRWPQO-UHFFFAOYSA-N	281.312	1.416	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NCCC(=O)O)cc1F	818390809	PPGKJQIKHIGYIT-UHFFFAOYSA-N	283.303	1.166	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NC(C)(C)CCN)cc1F	817877342	WGAYKUKKMSCOMK-UHFFFAOYSA-N	296.390	1.818	10	20	CDCD	
Cc1ccn(CC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)n1	828885122	VUVBDAGJFXQHOO-LLVKDONJSA-N	289.335	1.350	10	20	CDCD	
COC(=O)CN(C(=O)c1cc(O)cs1)C1CCOCC1	829245760	NEKZTRLEINQKFD-UHFFFAOYSA-N	299.348	1.248	10	20	CDCD	
CO[C@@H]1COCC[C@@H]1CNCc1cccc(C)c1O	824708451	GSPDRWWUVLIHAR-TZMCWYRMSA-N	265.353	1.842	10	20	CDCD	
CCOC(=O)CN(CC[C@H](C)O)Cc1ccccc1O	823576000	GPKNXARBIOBOHC-LBPRGKRZSA-N	281.352	1.528	10	20	CDCD	
COc1cccc(CN2C[C@@H](C)[C@@](C)(CO)C2)c1O	827699075	DRNJGJHHQXOGHN-IAQYHMDHSA-N	265.353	1.851	10	20	CDCD	
OCC1(O)CCN(Cc2cccc(Cl)c2O)CC1	827146888	KMZSLEAJXXLWSF-UHFFFAOYSA-N	271.744	1.365	10	20	CDCD	
CCc1nocc1/C=C1\SC(N2CCOCC2)=NC1=O	834412518	HXQUSWRRPOPJPR-XFFZJAGNSA-N	293.348	1.540	10	20	CDCD	
CC[C@@](NC(=O)c1cc(O)cs1)(C(N)=O)C(C)C	831957069	NCTNTEUJWSQLQR-LBPRGKRZSA-N	270.354	1.474	10	20	CDCD	
CCOC(=O)NCC(=O)NCc1ccc(N(C)C)cc1C	734558861	ZRFBMPOCCJREMH-UHFFFAOYSA-N	293.367	1.423	10	20	CDCD	
C[C@H](NC(=O)c1cc(O)cs1)c1ccn(C)n1	839796253	CKFXIKCAWVUGKO-ZETCQYMHSA-N	251.311	1.678	10	20	CDCD	
COc1ccc(N(C)CCN(C)CCCO)cc1	844399067	FPEOHAWUZBJTNP-UHFFFAOYSA-N	252.358	1.446	10	20	CDCD	
CCN(CC(=O)N(C)C)Cc1ccc(N(C)C)cc1C	840910019	JKEHQEKBZODQKN-UHFFFAOYSA-N	277.412	1.971	10	20	CDCD	
CC[C@H](C)C[C@H](CO)NC(=O)c1c(F)ccc(O)c1O	844149483	QCZGTWFFJFIRMK-DTWKUNHWSA-N	285.315	1.764	10	20	CDCD	
NC[C@H]1CN(Cc2cccc(Cl)c2O)CCO1	843065673	OKNZWNYOMCRPRM-JTQLQIEISA-N	256.733	1.205	10	20	CDCD	
CCOc1cccc(CNC2CCNCC2)c1O	841026449	CFLOOXIOVOVONH-UHFFFAOYSA-N	250.342	1.633	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CCO[C@@H](CF)C1	840482629	CGRWHBXFHNQFSM-FWEMWIAWSA-N	281.283	1.308	10	20	CDCD	
CCc1cccc(CN2CCN(C(=O)COC)CC2)c1O	848882036	XDMBSELBQBGTCC-UHFFFAOYSA-N	292.379	1.245	10	20	CDCD	
CCO[C@@H]1COC[C@H]1N[C@H](C)c1cccc(OC)c1O	846170029	UWHQJILLIKPFFI-MPKXVKKWSA-N	281.352	1.855	10	20	CDCD	
CN(C)c1ccc([C@H](N)CNC(=O)[C@H]2CCCCN2)cc1	841846190	KNCMVNWNYQTJAD-HUUCEWRRSA-N	290.411	1.011	10	20	CDCD	
NC[C@H](NCc1cc2c(cc1O)OCO2)C1CCCC1	841088552	ZFTIOAPDVNVDGG-LBPRGKRZSA-N	278.352	1.728	10	20	CDCD	
CC[C@]1(O)CCN(C(=O)NCCc2ccc(N)cc2)C1	841959096	KTOLGEWMSCOENK-HNNXBMFYSA-N	277.368	1.368	10	20	CDCD	
COC(=O)[C@]1(F)CCN(C(=O)c2cc(O)cs2)C1	752812376	GNBZYBULXBVXHA-NSHDSACASA-N	273.285	1.181	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCCN1C=O	854325002	UYZPFTSDBBLPCJ-HNNXBMFYSA-N	289.379	1.332	10	20	CDCD	
C[C@H]1CN(CCNC(=O)Cc2ccc(N)cc2)[C@@H](C)CO1	852847907	YPVJVJMPDKDTOK-STQMWFEESA-N	291.395	1.037	10	20	CDCD	
OC[C@H]1C[C@@H](NCc2ccc(N3CCOCC3)c(F)c2)C1	865663522	YWZHKCMTTOONCV-OKILXGFUSA-N	294.370	1.523	10	20	CDCD	
CN(C)c1cc(F)c(CNC2(C(=O)O)CC2)cc1F	864503924	KKPCBTLQXOTAGV-UHFFFAOYSA-N	270.279	1.738	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CCCNC1=O	865904513	NYWHDPBQYOWFFM-CQSZACIVSA-N	289.379	1.203	10	20	CDCD	
CN1CCN(c2ccc(CNc3cccnn3)cc2)CC1	762643326	FJWRDFFXFCXCFH-UHFFFAOYSA-N	283.379	1.841	10	20	CDCD	
CO[C@@H]1CN[C@@](C)(C(=O)NCc2ccc(N(C)C)cc2)C1	876713459	QDEOJRYPYIHMDT-GOEBONIOSA-N	291.395	1.136	10	20	CDCD	
CCN(C[C@H](O)CO[C@H](C)COC)c1ccc(OC)cc1	773776059	LHIJBSTWIXMBJL-HIFRSBDPSA-N	297.395	1.934	10	20	CDCD	
COC(=O)CC1(NCc2cc3c(cc2O)OCO3)CCC1	777440675	IUFJHRIENPCPHJ-UHFFFAOYSA-N	293.319	1.696	10	20	CDCD	
C[C@H](NCc1cc(F)cc(F)c1O)c1nnnn1C1CC1	883102692	XZAZSDZNQYVUMK-ZETCQYMHSA-N	295.293	1.843	10	20	CDCD	
COC(=O)[C@H](CC(F)F)NCc1cc(F)ccc1O	789578557	BSNWOYXYRSVFKM-VIFPVBQESA-N	277.242	1.818	10	20	CDCD	
CN1CCN(c2ccc(CNC(=O)C(F)F)cc2)CC1	881851930	DNKGZSAYBOQTIS-UHFFFAOYSA-N	283.322	1.320	10	20	CDCD	
COC(=O)[C@@](C)(CO)NCc1cc(Cl)c(F)cc1O	894971722	FWTCYDYAMGMOHO-GFCCVEGCSA-N	291.706	1.198	10	20	CDCD	
C[C@@H](C[C@@H](C)N)NC(=O)N[C@H](C)c1ccccc1O	892199312	MCNNFESQXSANSE-OUAUKWLOSA-N	265.357	1.878	10	20	CDCD	
O=C1CCCN1C1CN(Cc2cc(F)cc(F)c2O)C1	897781526	ZNYKVZJLWNLEFC-UHFFFAOYSA-N	282.290	1.477	10	20	CDCD	
CCN(C)C(=O)[C@@H](C)NCc1cc(C)cc(OC)c1O	894542063	WSRWLMQIKMDSQX-LLVKDONJSA-N	280.368	1.666	10	20	CDCD	
COc1cccc(CN(CC(N)=O)C2CCCC2)c1O	132988835	DGSAPYSXKIGDJS-UHFFFAOYSA-N	278.352	1.631	10	20	CDCD	
COc1cc(O)c(CN[C@@H](C)c2nc(C)no2)cc1OC	792176846	OROHJSKOJFDZPE-QMMMGPOBSA-N	293.323	1.952	10	20	CDCD	
COc1ccc(CNC(=O)c2cc[nH]c2C)c(O)c1	794381386	PSEDEHFGJDDFGD-UHFFFAOYSA-N	260.293	1.967	10	20	CDCD	
C[C@H]1CC[C@@H](C)N1C(=O)C(=O)N(C)Cc1ccccc1O	1327185790	FYADLLRDPVTZOR-TXEJJXNPSA-N	290.363	1.750	10	20	CDCD	
Cc1ccc(O)c(CN(C)Cc2nnc3n2CCC3)c1	768224298	WFOXGYUVVJYTKN-UHFFFAOYSA-N	272.352	1.870	10	20	CDCD	
Cc1ccc(O)c(CNCc2c(C)nn(CCO)c2C)c1	1331675512	GMAYHVQTCJUQRF-UHFFFAOYSA-N	289.379	1.796	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN(C)[C@H](C)C(=O)O)c1O	1607049842	LSYRRKHTXKYRTB-SSDOTTSWSA-N	284.268	1.214	10	20	CDCD	
CN(C)c1ccc(OCCc2ccnn2C)cc1C(=O)O	1606061207	VSAORLMTFFPSDA-UHFFFAOYSA-N	289.335	1.806	10	20	CDCD	
O=C(O)/C=C/c1ccc(N2CC(CO)C2)c([N+](=O)[O-])c1	1610750355	GSJZRRHTCPTUNS-DUXPYHPUSA-N	278.264	1.121	10	20	CDCD	
CC[C@@H](CNCc1c(C)cc(OC)cc1O)C(=O)O	1573805049	DQNCTLBGNPLYOO-JTQLQIEISA-N	267.325	1.910	10	20	CDCD	
COc1cccc(CN[C@@H](C(=O)O)C(C)(C)C)c1O	1599673889	QGXDBYXXRNSHSJ-LBPRGKRZSA-N	267.325	1.990	10	20	CDCD	
CC[C@@H](NC/C=C/CO)c1cccc(-c2nn[nH]n2)c1O	1590467352	PSVBLJFCMNRJTO-AAOUONPWSA-N	289.339	1.162	10	20	CDCD	
CN(C)c1ccc(CN2C[C@H](C(=O)O)OCC2(C)C)cc1	1777039376	MFOCNVIJGKPLGV-CQSZACIVSA-N	292.379	1.817	10	20	CDCD	
COc1ccc(N(C)CCOC(=O)N(C)C)cc1F	158896531	OGORPWWMFQMHJE-UHFFFAOYSA-N	270.304	1.969	10	20	CDCD	
C[C@@H](CC(N)=O)NCc1cccc(Br)c1O	160804843	PQIGNDXMCVWWEU-ZETCQYMHSA-N	287.157	1.508	10	20	CDCD	
COC[C@H](O)CCNCc1cc(Cl)cc(OC)c1O	230935428	UKQIDKPKXAAQDJ-LLVKDONJSA-N	289.759	1.541	10	20	CDCD	
Nc1ccc(CC(=O)NCCN2CCCCC2)cc1	35825533	MRKCKHNFSSBPBD-UHFFFAOYSA-N	261.369	1.413	10	20	CDCD	
CCOC(=O)CCN(C)C(=O)Nc1ccc(N)cc1	45647916	OETXMDVXEUDYBH-UHFFFAOYSA-N	265.313	1.686	10	20	CDCD	
C[C@H](CC[S@](C)=O)NCc1cc(F)cc(F)c1O	708466933	VOSGIYJJWRXMTA-CVJBHZAOSA-N	277.336	1.917	10	20	CDCD	
Nc1ccc(NC(=O)Cn2ncc3ccccc3c2=O)cc1	22219905	ZFGMJCKPPZOTTP-UHFFFAOYSA-N	294.314	1.617	10	20	CDCD	
Cc1nc2n(n1)C[C@@H](N[C@H](C)c1ccccc1O)CC2	183485262	WQHAMXDVZWAACU-PWSUYJOCSA-N	272.352	1.958	10	20	CDCD	
COC(=O)[C@@H]1[C@@H](O)CCCN1Cc1cc(Cl)ccc1O	188783161	YEKGVQVSGXHVRO-STQMWFEESA-N	299.754	1.544	10	20	CDCD	
CN(C)c1ccc(CNC(=O)C2(O)CCCC2)cc1	123719015	AILFFXJXGBOTDK-UHFFFAOYSA-N	262.353	1.674	10	20	CDCD	
CC(C)n1cnc(S(=O)(=O)Nc2ccc(O)cc2)c1	182407616	FLEGALXFIIYDFS-UHFFFAOYSA-N	281.337	1.970	10	20	CDCD	
COc1cc(O)c(CN(C)C[C@@H](C)O)cc1OC	130792485	DONBZXGMKJNOEB-SECBINFHSA-N	255.314	1.222	10	20	CDCD	
CC(=O)N[C@@H]1CCN(Cc2cc(Cl)ccc2O)C1	228356806	MZOYCOZDBGGVJC-GFCCVEGCSA-N	268.744	1.756	10	20	CDCD	
CN(CCS(C)(=O)=O)Cc1cc(F)ccc1O	179935076	TYTHZWURUGDONN-UHFFFAOYSA-N	261.318	1.008	10	20	CDCD	
COC[C@H](C)CNCc1ccc([N+](=O)[O-])c(OC)c1O	278932797	WOTYIGNDNPOJBT-SECBINFHSA-N	284.312	1.681	10	20	CDCD	
Cc1nc2n(n1)CCN(Cc1cc(C)c(C)cc1O)C2	271176611	JLXOXYQEUGJOEY-UHFFFAOYSA-N	272.352	1.925	10	20	CDCD	
COC[C@@H](C)OC[C@H](O)CN(C)c1ccc2c(c1)OCO2	278303152	JLQQLHQSCMQZMO-DGCLKSJQSA-N	297.351	1.264	10	20	CDCD	
CO[C@@H](C(=O)N[C@H](C)Cc1ccc(O)c(O)c1)C1CC1	280416735	WVRXVDKKIPWNEC-YMTOWFKASA-N	279.336	1.570	10	20	CDCD	
C[C@@H](O)CNCc1c(O)cccc1Br	706821733	OCFKCDOJTLSDQK-SSDOTTSWSA-N	260.131	1.625	10	20	CDCD	
CCOC1CC(C(=O)NCc2cc(OC)ccc2O)C1	806858233	GUNQKZBVIMTIHC-UHFFFAOYSA-N	279.336	1.832	10	20	CDCD	
COc1ccc(O)c(CN(C)C[C@H](O)C2CC2)c1	809751788	KKSOFBYWIIPFTH-AWEZNQCLSA-N	251.326	1.604	10	20	CDCD	
CN1CCCc2cc(CNC(=O)[C@@H](N)CC(F)F)ccc21	827913885	RICAVYNITDDPCL-LBPRGKRZSA-N	297.349	1.668	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1ccc(N)cn1	829764157	GVJNSUGXTRZWOY-UHFFFAOYSA-N	284.363	1.968	10	20	CDCD	
Cc1ccc(O)c(CN2CC[C@@H]3NC(=O)CC[C@H]3C2)c1	827131860	DWQNNRWXMDRRSY-JSGCOSHPSA-N	274.364	1.801	10	20	CDCD	
CNC(=O)C[C@@H](C)NCc1c(O)ccc(Cl)c1F	825067988	HTUXUNGGVVUEIY-SSDOTTSWSA-N	274.723	1.799	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@@H]2COC[C@@H]2C)c1	903395009	JAFBHBAVIGJGIK-OUJBWJOFSA-N	279.336	1.864	10	20	CDCD	
COc1ccc(O)c(CN2C[C@@H](C)[C@](C)(CO)C2)c1	827699117	FFRGTTWZIBJZOE-ABAIWWIYSA-N	265.353	1.851	10	20	CDCD	
C[C@@H]1C[C@H](O)CN(C(=O)NCc2ccc(N(C)C)cc2)C1	836246540	HVSVKJPOHGLXDG-DOMZBBRYSA-N	291.395	1.665	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@@H]2CC(C)=NO2)c1	830544716	SZJWQSMUVPPFSG-LBPRGKRZSA-N	264.281	1.182	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cnsn1	839123951	XZGQPBWKLJFDLW-SSDOTTSWSA-N	294.336	1.702	10	20	CDCD	
CC[C@@H](C(=O)O)C(=O)NCc1ccc(N(C)C)c(F)c1	911299837	AGTYTBYENZBSLH-SNVBAGLBSA-N	282.315	1.619	10	20	CDCD	
CN(C)c1ccc(CN(c2nnnn2C)C2CC2)cc1	749271377	COALWYHURFIVJQ-UHFFFAOYSA-N	272.356	1.445	10	20	CDCD	
COc1ccc(N(C)CCN(C)C(=O)c2ccon2)cc1	844854068	NEPWXFBSQRFUBZ-UHFFFAOYSA-N	289.335	1.892	10	20	CDCD	
CN1CCN(c2ccc(CN3CC[C@@H](CN)C3)cc2)CC1	843048383	OPPBVWFWDVBHQR-INIZCTEOSA-N	288.439	1.219	10	20	CDCD	
CN(C)c1ccc([C@@H](N)CNC(=O)C[C@H]2CCCN2)cc1	841846058	JKWPYEQWQJCFSZ-HIFRSBDPSA-N	290.411	1.011	10	20	CDCD	
CCCNC(=O)CCC(=O)NCc1cc(Cl)ccc1O	846472404	JUACRZFAHFTCAX-UHFFFAOYSA-N	298.770	1.968	10	20	CDCD	
Cc1ccc(C(=O)NCCCc2c[nH]nc2C)c(O)c1O	751538484	PTZFXFKUSHKVBJ-UHFFFAOYSA-N	289.335	1.800	10	20	CDCD	
CO[C@H](C)COC(=O)/C=C\c1ccc(O)c(O)c1	759590972	BPPHDHGGFWNVKU-XTULLQBASA-N	252.266	1.689	10	20	CDCD	
COc1cccc(CNCC2(C(=O)O)CCC2)c1O	854244744	RBVBWUNSZHMUKR-UHFFFAOYSA-N	265.309	1.745	10	20	CDCD	
CN(CCCN1CCOC1=O)c1ccc2c(c1)OCO2	756654036	AXTQQXFJNZZLNZ-UHFFFAOYSA-N	278.308	1.694	10	20	CDCD	
COc1ccc(N(C)CCN(C)C[C@H]2CNC(=O)C2)cc1	852210827	BEZMZYRNAGFFKG-CYBMUJFWSA-N	291.395	1.199	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@H](C)C[C@@H](C)O)c1	757659046	XJTZLKSJLAHCLL-MXWKQRLJSA-N	281.352	1.989	10	20	CDCD	
CC[C@@H](O)CNC(=O)NCc1ccc(N2CC=CC2)cc1	853777114	ZJGVHEPZSOPAIR-OAHLLOKOSA-N	289.379	1.633	10	20	CDCD	
Cn1cc(C(=O)NCc2cc(Cl)ccc2O)cn1	857547665	OVYUJWYWQKECBC-UHFFFAOYSA-N	265.700	1.709	10	20	CDCD	
CN1C[C@@H](NCc2cc(F)c(N(C)C)cc2F)CC1=O	858119923	UMSWZCZVTJAJRD-JTQLQIEISA-N	283.322	1.351	10	20	CDCD	
C[C@H](N)CN(C)C(=O)NCc1ccc(N(C)C)cc1	861549093	FSPSAPPOOQOMJS-NSHDSACASA-N	264.373	1.241	10	20	CDCD	
COc1ccc(O)c(CN[C@@H]2CCCNC(=O)C2)c1	877036005	LZOFQIXKZXJNAI-LLVKDONJSA-N	264.325	1.159	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](O)C(C)(C)C	773766970	FLPMEKWYXZOJQH-NOZJJQNGSA-N	281.352	1.552	10	20	CDCD	
C[C@H](O)CCn1cc(COc2ccc(N)cc2)nn1	881315549	HHBRDPSEAKSTRO-JTQLQIEISA-N	262.313	1.210	10	20	CDCD	
C[C@H](C(=O)N(C)C)n1cc(COc2ccc(N)cc2)nn1	881096283	IMTQPDGMPSJENQ-SNVBAGLBSA-N	289.339	1.089	10	20	CDCD	
CCN(C)c1ccc([C@@H](C)NCCN2CCNC2=O)cc1	886742680	HFGSGDMJZWWOOC-CYBMUJFWSA-N	290.411	1.819	10	20	CDCD	
CCNC(=O)CC(=O)NCc1ccc(N(C)C)cc1C	780944220	STRXZYVNXAHJAD-UHFFFAOYSA-N	277.368	1.203	10	20	CDCD	
CCOc1ccc(CN[C@H](C(=O)OC)C2CC2)c(O)c1	789574615	ZMDPMPNDGQMJRZ-AWEZNQCLSA-N	279.336	1.832	10	20	CDCD	
OC1CCN(c2ccc(CNC[C@H]3COCO3)cc2)CC1	894887308	ZUGNYOZZYNOOBR-INIZCTEOSA-N	292.379	1.110	10	20	CDCD	
Nc1ccc(NC(=O)N[C@@H](CO)C[C@H]2CCCO2)cc1	886961912	ZYZQAEQDIXFARZ-CHWSQXEVSA-N	279.340	1.320	10	20	CDCD	
COc1ccc(CNC(=O)CC2OCCCO2)c(O)c1	794374939	ZXMFUHZKQRSEMB-UHFFFAOYSA-N	281.308	1.170	10	20	CDCD	
C[C@@]12CNC[C@]1(C)CN(Cc1cc(F)ccc1O)C2	702596923	MXAZYBNBNQHPBI-GASCZTMLSA-N	264.344	1.963	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NC/C=C/CO)cc1F	1327698008	IRHGNUPYCYXIBZ-ONEGZZNKSA-N	281.331	1.239	10	20	CDCD	
C[C@H](Cc1ccccn1)NC(=O)Cc1ccc(N)cc1	694018665	IZWYJRWIHDDNBJ-GFCCVEGCSA-N	269.348	1.954	10	20	CDCD	
C[C@H](CCCNCc1cc([N+](=O)[O-])ccc1O)C(=O)O	1339009449	BFTUTDCHJDPISW-SECBINFHSA-N	282.296	1.891	10	20	CDCD	
C[C@@H]1CCCN(C(=O)NCc2ccc(N)cc2)[C@H]1CCN	1337019793	VLLWGNHPZNVLRM-DOMZBBRYSA-N	290.411	1.928	10	20	CDCD	
CN1CCC(CCNC(=O)NCc2ccc(N)cc2)CC1	1346289684	XVXFSNUVVBTPPB-UHFFFAOYSA-N	290.411	1.800	10	20	CDCD	
COC[C@H]1CN(Cc2ccc(OC)c(OC)c2O)CCO1	1355225810	JYVQRVBGAPMVGE-GFCCVEGCSA-N	297.351	1.257	10	20	CDCD	
Nc1ccc(CNC(=O)NC[C@@H](CC(=O)O)C2CC2)cc1	1601215480	AVDHSXHXRXNNGB-GFCCVEGCSA-N	291.351	1.569	10	20	CDCD	
O=C(O)[C@@H]1CCC[C@@H](C(=O)NCc2ccc(O)c(O)c2)C1	1610741388	UWRZWITYPQOPQD-GHMZBOCLSA-N	293.319	1.605	10	20	CDCD	
CC(C)(C)C(=O)N1CCN(Cc2ccc(N)cc2)CC1	20398344	UUHPFZXZDIFXKR-UHFFFAOYSA-N	275.396	1.959	10	20	CDCD	
C[C@@H](NC(=O)NC[C@@H]1CCN1)c1ccc(N(C)C)cc1	1576207511	MTQHJBHXQAUZSO-YPMHNXCESA-N	276.384	1.475	10	20	CDCD	
COc1ccc(O)c(CNCc2ncc(C(=O)O)s2)c1	1599598215	IHCVLQGKLICYNQ-UHFFFAOYSA-N	294.332	1.845	10	20	CDCD	
C[C@H](NC(=O)c1ccc(C(=O)O)nc1)c1ccccc1O	1594238407	XFFHBGPXZIOUJM-VIFPVBQESA-N	286.287	1.976	10	20	CDCD	
CCN1C[C@H](NCc2ccc3c(c2)CCCO3)CC1=O	922157679	CODHALJIEDIUGH-CQSZACIVSA-N	274.364	1.722	10	20	CDCD	
CN1CCC(C(=O)N(C)Cc2ccccc2O)CC1	269157450	RCJYTDNAQLGTIL-UHFFFAOYSA-N	262.353	1.692	10	20	CDCD	
COCC(C)(C)N(C)Cc1cc2c(cc1O)OCO2	292767166	JYPQSRFMYZWUMI-UHFFFAOYSA-N	267.325	1.978	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CC(=O)N[C@H](C)C2)c1O	296071907	DNGNTSVTVPOGCX-MRVPVSSYSA-N	280.299	1.054	10	20	CDCD	
CCN(CC)[C@@H]1CCN(C(=O)Cc2ccc(N)cc2)C1	62972677	YJLIXBCYKIZIOU-OAHLLOKOSA-N	275.396	1.754	10	20	CDCD	
C[C@@H](C[S@](C)=O)N(C)Cc1cc(F)cc(F)c1O	708422243	LACSQRXJUBJOQT-ASCAZGACSA-N	277.336	1.869	10	20	CDCD	
CC1CCN(S(=O)(=O)N(C)Cc2ccccc2O)CC1	383635829	AMSDFXFYGUVWSH-UHFFFAOYSA-N	298.408	1.801	10	20	CDCD	
CC[C@H](NCc1ccc(N2CCOCC2)cc1)[C@@H](C)O	386694454	LDUDWAKFFOJHOK-CJNGLKHVSA-N	278.396	1.772	10	20	CDCD	
COC(=O)C1CCN(Cc2cc(F)ccc2O)CC1	179876230	JZYDAHJTZLVOET-UHFFFAOYSA-N	267.300	1.916	10	20	CDCD	
Cn1cc(C(=O)NCCCSc2nccs2)cn1	114139829	DNDJCFCBOCOHRS-UHFFFAOYSA-N	282.394	1.789	10	20	CDCD	
CN(C)[C@@H](CNC(=O)c1cccc(O)c1O)c1ccco1	186755336	BPPBPDLPXVGIHH-NSHDSACASA-N	290.319	1.724	10	20	CDCD	
COC(=O)C[C@H](C)C(=O)NCc1ccc(N(C)C)c(F)c1	128021734	QXQXDQCLLUPLKO-JTQLQIEISA-N	296.342	1.707	10	20	CDCD	
COc1cccc(CN[C@@H](C)CCN(C)C)c1O	49553127	CNTJOOXCPUZCIJ-NSHDSACASA-N	252.358	1.831	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)Nc2ncnn2C)c1	91185820	SAEVOZNPZCDGFO-MRVPVSSYSA-N	291.311	1.412	10	20	CDCD	
C[C@@H](O)CCN[C@H](C)c1ccc(N2CCOCC2)cc1	268927952	YMVGKXZCCCIQHO-ZIAGYGMSSA-N	278.396	1.945	10	20	CDCD	
CN(Cc1ccc(N2CCOCC2)cc1)c1cnccn1	266501085	ZEYOTVVCERXTBR-UHFFFAOYSA-N	284.363	1.950	10	20	CDCD	
CN(C)c1ccc(CN2CC(=O)N(CC3CC3)C2)cc1F	279407935	LTWZUYXWUSMKAZ-UHFFFAOYSA-N	291.370	1.903	10	20	CDCD	
CCC1(CO)CCN(C(=O)c2c(F)ccc(O)c2O)CC1	276556208	ILTVLINKDIWHKH-UHFFFAOYSA-N	297.326	1.862	10	20	CDCD	
CCOc1ccc(O)c(CN2CC[S@@](=O)C[C@H](C)C2)c1	277586300	UKVZSCYMMOLYIV-MPBGBICISA-N	297.420	1.991	10	20	CDCD	
CCN(C)C(=O)CN(C)c1ccc2c(c1)OCO2	270387531	XMSFLLIFFAINQV-UHFFFAOYSA-N	250.298	1.330	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@@H](C)CN(C)C)c1	286892328	DDOZQFVWXNMVIS-QWRGUYRKSA-N	280.368	1.780	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2C[C@H]3C[C@H]2C(=O)O3)c1O	295194971	KAURYGYPMCYAEC-PWSUYJOCSA-N	279.267	1.234	10	20	CDCD	
Cc1cc(CN2CC(=O)N[C@@H](C)C2)ccc1N(C)C	296390147	YWGIGXKGUBPEIR-LBPRGKRZSA-N	261.369	1.381	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC[C@H]2CCCN2)c1	817951215	BRHAIEXKJJUAMF-WDEREUQCSA-N	250.342	1.803	10	20	CDCD	
Cc1nnc(O)c(C(=O)NCCc2ccc(N)cc2)c1C	818546085	LOAKVUWJFIRFBS-UHFFFAOYSA-N	286.335	1.354	10	20	CDCD	
CON1CCC(N[C@H](C)c2cc([N+](=O)[O-])ccc2O)CC1	817588906	SKWPRBCBMFXCKO-SNVBAGLBSA-N	295.339	1.977	10	20	CDCD	
C[C@@H](NC(=O)CCCC(N)=O)c1ccccc1O	827930601	MJCILMVATSIGPU-SECBINFHSA-N	250.298	1.225	10	20	CDCD	
CC(=O)N1CCC[C@H](C(=O)N[C@H](C)c2ccccc2O)C1	827923345	PJCOOYBHDMYBCN-YPMHNXCESA-N	290.363	1.828	10	20	CDCD	
CCCCC[C@H](O)C(=O)NCc1cccc(OC)c1O	827304127	URWVVDOONSNBRD-LBPRGKRZSA-N	281.352	1.958	10	20	CDCD	
CN1CCC[C@@H](CNC(=O)c2cc(O)cs2)C1	732290440	PQDHIXZRGLLQTN-VIFPVBQESA-N	254.355	1.525	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N1CC[C@@H](F)C1	836822024	XKMYGJAWCKELQW-WUWIAWFRSA-N	251.257	1.681	10	20	CDCD	
C[C@@]1(C(=O)O)CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1	833554217	SNADXVJEENDFLP-SJDLMVEWSA-N	291.303	1.434	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)Nc1nncs1	588405939	IFPSEAIZFSGXIK-RQOWECAXSA-N	263.278	1.601	10	20	CDCD	
C[C@@H](CC(=O)O)C(=O)NCc1cc(Cl)ccc1O	911331310	QDUAKODPJPUJND-ZETCQYMHSA-N	271.700	1.773	10	20	CDCD	
CNCCN(C)Cc1ccc(N2CCOCC2)c(F)c1	843057688	RCYBYRRITYIXIP-UHFFFAOYSA-N	281.375	1.314	10	20	CDCD	
OC[C@H](NCc1cc(Cl)ccc1O)[C@@H]1CCCOC1	840964332	ZZTUCCAUKLPKCC-MFKMUULPSA-N	285.771	1.923	10	20	CDCD	
Cc1nn(C)c2ncc(/C=C3\SC(=S)NC3=O)cc12	748514380	VZPPNLNRNZBWDT-WTKPLQERSA-N	290.373	1.766	10	20	CDCD	
NC[C@H]1CCCC[C@H]1NCc1cc2c(cc1O)OCO2	841029509	HVZXHQXQBNSHMW-ZYHUDNBSSA-N	278.352	1.728	10	20	CDCD	
CC1(C)CCC[C@@H]1NC(=O)C(=O)Nc1ccc(N)cc1	841063323	SBFSDXWJYHIYSZ-LBPRGKRZSA-N	275.352	1.902	10	20	CDCD	
CN(CCN1CCNCC1)Cc1ccc(N(C)C)c(F)c1	843051665	BNPGFZBXZYKURI-UHFFFAOYSA-N	294.418	1.229	10	20	CDCD	
CN1CCN=C1NCc1ccc(N2CC=CC2)cc1	849009783	NWPZEVXIHBKPMB-UHFFFAOYSA-N	256.353	1.454	10	20	CDCD	
CCc1cccc(CN[C@@H]2CCC[C@@H]2C(=O)NC)c1O	848900024	WZDKYGALTNGOPY-UONOGXRCSA-N	276.380	1.959	10	20	CDCD	
Cn1cnc(C(=O)NCc2cc(Cl)ccc2O)c1	857547675	PLDPUBKLWYICKM-UHFFFAOYSA-N	265.700	1.709	10	20	CDCD	
CO[C@@]1(C)C[C@H]1NC(=O)c1ccc(C)c(O)c1O	856268096	KJZSJDUVYDRCPT-RNCFNFMXSA-N	251.282	1.313	10	20	CDCD	
C[C@@H](CNC(=O)/C=C\c1ccc(O)c(O)c1)N(C)C	855009642	HIOHSSKCTQPNNP-BXKUYDPTSA-N	264.325	1.177	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)OCCN1CCOC1=O	759588166	JKZUOCGKYWYTGA-RQOWECAXSA-N	293.275	1.106	10	20	CDCD	
CN(C[C@H]1CCC[C@@H]1O)C(=O)c1cc(O)cs1	755329579	VOECQLRRGIPSKY-SCZZXKLOSA-N	255.339	1.687	10	20	CDCD	
CC(C)(CN1CCOCC1)NC(=O)c1cc(O)cs1	854941020	OTTZFRZKUBDLPV-UHFFFAOYSA-N	284.381	1.294	10	20	CDCD	
CNC[C@@H](C)NC(=O)NCc1c(O)ccc2c1CCCC2	851682938	XBFBJYBISJTMEC-LLVKDONJSA-N	291.395	1.678	10	20	CDCD	
CON(C)C(=O)[C@@H](C)NCc1cc(F)ccc1O	862542389	NQGTYGVNLWWZGO-MRVPVSSYSA-N	256.277	1.029	10	20	CDCD	
CS(=O)(=O)CC1(COC(=O)c2cc(O)cs2)CC1	767633147	YUGPCBFQGZTNIA-UHFFFAOYSA-N	290.362	1.435	10	20	CDCD	
COc1cccc(O)c1CN1CCC[C@H](CC(N)=O)C1	769524590	PHWVLTDUHGTKBG-LLVKDONJSA-N	278.352	1.488	10	20	CDCD	
O=C(NCCOC1CCC1)c1c(F)ccc(O)c1O	1117798273	POKYKSBUFVXFAT-UHFFFAOYSA-N	269.272	1.536	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN[C@]1(CO)CCOC1	1118012529	OKCBCOBKVJWFPB-HNNXBMFYSA-N	264.369	1.302	10	20	CDCD	
Oc1cc2c(cc1CN1C[C@@H]3CC[C@H](C1)N3)OCO2	873217429	MGGZXTKXLHMFPN-PHIMTYICSA-N	262.309	1.057	10	20	CDCD	
COC(=O)c1cccc(N2N=C(C(C)=O)CC2=O)c1C	871963769	RNURKMXPQKKVIH-UHFFFAOYSA-N	274.276	1.463	10	20	CDCD	
CC(C)C[C@H](O)CNC(=O)/C=C/c1ccc(O)c(O)c1	779485704	MOZUKJAAGQYVLR-FUEXJSSKSA-N	279.336	1.634	10	20	CDCD	
CN[C@@H](C(=O)N[C@H](C)c1ccccc1O)c1cnn(C)c1	1122190649	DOCYBLIPSRSDRT-QMTHXVAHSA-N	288.351	1.264	10	20	CDCD	
COCCN1C(=O)C2(CC2)N[C@H]1c1cc(F)cc(F)c1O	887330015	WDXHCDLIHOIPIE-GFCCVEGCSA-N	298.289	1.280	10	20	CDCD	
CC(=O)c1cc(Cl)cc(Cn2cc(CO)nn2)c1O	880999295	JTVCOCCECYOYLO-UHFFFAOYSA-N	281.699	1.380	10	20	CDCD	
C[C@@H]1C[C@H](C(=O)NCc2ccc(N(C)C)c(F)c2)CO1	784077764	XWEQNGPUOUXLBP-PWSUYJOCSA-N	280.343	1.933	10	20	CDCD	
CCOCCNCc1ccc(OC)c(OC)c1O	893327156	HIHYQHQZXZHOGP-UHFFFAOYSA-N	255.314	1.536	10	20	CDCD	
COc1ccc(CN2[C@H]3CC[C@H]2COC3)c(O)c1OC	894858743	LGZVNFHSRJWEAE-RYUDHWBXSA-N	279.336	1.773	10	20	CDCD	
CC(C)(C)[C@@H](NCc1cc([N+](=O)[O-])ccc1O)C(=O)O	1324575751	OEBPWWPIWHCDFZ-NSHDSACASA-N	282.296	1.889	10	20	CDCD	
OCCCNCc1cccc(Br)c1O	42411829	ZFESZKJYAPEGOF-UHFFFAOYSA-N	260.131	1.627	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC[C@H]2CN(C)C(=O)O2)c1	1324266325	KKVJFEDRLAKNBZ-ONGXEEELSA-N	280.324	1.502	10	20	CDCD	
CCc1cccc(CN[C@H](CC)C(=O)NC)c1O	697827780	MNARCCZUVVGGBN-GFCCVEGCSA-N	250.342	1.569	10	20	CDCD	
Nc1ccc(CNC(=O)N[C@H]2CC23CCNCC3)cc1	1353443397	UNEYDONZHDBPGK-ZDUSSCGKSA-N	274.368	1.210	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)C23CCCN2CCC3)c1	1351630590	FKODTJCJTYDRDX-UHFFFAOYSA-N	274.364	1.945	10	20	CDCD	
NC(=O)N=Nc1ccc(C(=O)N[C@H]2CC[C@H]2C(=O)O)cc1	1601156440	VYYDGKZWVGWKNV-ZJUUUORDSA-N	290.279	1.442	10	20	CDCD	
CN1CCCc2cc(CNC(=O)C(C)(C)N)ccc21	169810953	IPGCTELNDJCOJT-UHFFFAOYSA-N	261.369	1.423	10	20	CDCD	
CNC[C@H](C)C(=O)NCc1ccc(N(C)C)c(F)c1	166460612	PNPMNIZRCYWABJ-JTQLQIEISA-N	267.348	1.363	10	20	CDCD	
Fc1cc(CN2CCOCC2)ccc1N1CCOCC1	154519291	YBPODBRBGJZOBT-UHFFFAOYSA-N	280.343	1.495	10	20	CDCD	
COc1cccc(O)c1CN1CCC(C)(N)CC1	843103471	BOXPCTIGFODSAN-UHFFFAOYSA-N	250.342	1.714	10	20	CDCD	
COC[C@H](CCO)NCc1ccc2c(c1)CCCO2	921764245	HRLSFIWNTDYKNV-AWEZNQCLSA-N	265.353	1.499	10	20	CDCD	
CC(C)[C@@H](O)C(C)(C)CNC(=O)Cc1ccc(N)cc1	831448307	STCQIHSLKNTWDW-OAHLLOKOSA-N	278.396	1.971	10	20	CDCD	
O=C(CC[C@@H]1CCCNC1)NCc1ccccc1O	228422508	SFCYXGWKTQIVAH-LBPRGKRZSA-N	262.353	1.788	10	20	CDCD	
CC[C@H](NCCCNC(C)=O)c1ccccc1O	121107452	CLEFKDQQCPMHSJ-ZDUSSCGKSA-N	250.342	1.959	10	20	CDCD	
O=C(NC[C@@H]1CCCC[C@H]1O)c1cccc(O)c1O	126622778	QIBGZORVRMFESH-GXSJLCMTSA-N	265.309	1.379	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2C[C@H](O)C[C@H]2C)c1O	384999774	IXSMPHHVMVOUGD-PRHODGIISA-N	267.300	1.689	10	20	CDCD	
C=CC(=O)NCc1ccc(N2CCN3CCC[C@H]3C2)cc1	1887504356	SSLNFRZXCOJBHL-INIZCTEOSA-N	285.391	1.773	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)[C@@H]1Cc2ccccc2O1	178424586	UNAVFVBYCQFRPG-INIZCTEOSA-N	299.326	1.760	10	20	CDCD	
CCN(CC)CCNC(=O)c1ccc(C)c(O)c1O	177667379	GOHHPPRUPNDZJK-UHFFFAOYSA-N	266.341	1.478	10	20	CDCD	
CCN(CCC(=O)OC)Cc1cc(OC)ccc1O	179825797	IYCCBCZQWWMSSC-UHFFFAOYSA-N	267.325	1.786	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@H]1CCOC1	115667244	IDMYWGDMALGRBY-ZDUSSCGKSA-N	291.395	1.897	10	20	CDCD	
COc1cc(O)c(CN2CCC[C@](C)(O)C2)cc1OC	180377324	SGTAFGLHBGYORT-HNNXBMFYSA-N	281.352	1.756	10	20	CDCD	
CCN(CC)c1ccc(CN2CCNC(=O)[C@@H]2C)cc1F	123440997	SPAHZLRRMCIGSY-LBPRGKRZSA-N	293.386	1.992	10	20	CDCD	
CC(C)(CNCc1c(O)cccc1Cl)OCCO	288438455	LQQFEUVJQRCMBX-UHFFFAOYSA-N	273.760	1.923	10	20	CDCD	
CC[C@H](C)NC(=O)[C@@H](C)NCc1ccccc1O	134230780	REPUGCCIHDYZQO-WDEREUQCSA-N	250.342	1.785	10	20	CDCD	
CN(Cc1c(O)cccc1Cl)[C@H]1CCS(=O)(=O)C1	132408263	UNWDQEAWRQJLRB-VIFPVBQESA-N	289.784	1.665	10	20	CDCD	
Cc1cc(C(=O)NC[C@@H](C)CN)c(C)n1-c1ccccn1	237383130	ZIGPNVVBSXTINF-NSHDSACASA-N	286.379	1.814	10	20	CDCD	
CC(C)N(CCOCCO)Cc1ccc(N(C)C)cc1	265768926	CGADMPROCZUHPV-UHFFFAOYSA-N	280.412	1.972	10	20	CDCD	
Cc1c(C(=O)NCc2ccc(N3CCCC3)cc2)nnn1C	265968867	UKNHROUNVQUNPT-UHFFFAOYSA-N	299.378	1.654	10	20	CDCD	
CC(C)N1C[C@@H](NC(=O)NCc2ccccc2O)CC1=O	267766065	WZZNHXPTXJFXGG-LBPRGKRZSA-N	291.351	1.201	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H](C)[C@@H]2CCOC2)c1O	278551906	ZGSWDPIZQLDGRT-GXSJLCMTSA-N	296.323	1.824	10	20	CDCD	
CCCN(Cc1ccccc1O)C[C@@](C)(O)C(=O)OCC	274590024	JUMSBEUZMFGUNK-MRXNPFEDSA-N	295.379	1.918	10	20	CDCD	
CN(CCN1C[C@@H]2CC[C@H](C1)O2)c1ccc2c(c1)OCO2	367773613	SSEFLGOICFUYOF-OKILXGFUSA-N	290.363	1.715	10	20	CDCD	
C[C@@H]1OCC[C@@]1(O)CNCc1ccc(N(C)C)c(F)c1	278748269	WBSNWOJQPHYRLP-XHDPSFHLSA-N	282.359	1.521	10	20	CDCD	
COc1ccc(CNC(=O)[C@H]2C[C@@]23CCOC3)c(O)c1	373665665	IUNBLWVWBJNQAL-IUODEOHRSA-N	277.320	1.444	10	20	CDCD	
Cc1ccc([C@H](C)NCc2cnnn2C)c(O)c1C	287133948	AHJHJKJCKYIYLQ-NSHDSACASA-N	260.341	1.988	10	20	CDCD	
COc1ccc(CN[C@@H]2C(=O)NCC[C@@H]2C)cc1C	282285953	IQALSCJJMUMXKL-HZMBPMFUSA-N	262.353	1.618	10	20	CDCD	
CC[C@@H](N[C@H](C)C(=O)NCCF)c1ccccc1O	281917017	AHFYRFLAICGNTD-ZYHUDNBSSA-N	268.332	1.907	10	20	CDCD	
COC(=O)c1cnc(SCc2noc(C)n2)s1	295362689	RQQBGPKTAHTBFI-UHFFFAOYSA-N	271.323	1.913	10	20	CDCD	
COC[C@H](NC[C@@H](N)c1ccc(N(C)C)cc1)C1CC1	817943286	UAAQAAAWMZCITK-CVEARBPZSA-N	277.412	1.767	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)C2(CN(C)C)CC2)c1	821065614	PSTRDBFZUJQUQJ-LLVKDONJSA-N	292.379	1.920	10	20	CDCD	
CCCN[C@H](C)C(=O)N[C@@H](C)c1cc(OC)ccc1O	828666405	CHRRNDUBLKDVFQ-WDEREUQCSA-N	280.368	1.966	10	20	CDCD	
C=CC(=O)N(CC)CC(=O)N(C)Cc1ccccc1O	823043929	HVRFZUGXCHXSSF-UHFFFAOYSA-N	276.336	1.385	10	20	CDCD	
O=CN1CCC[C@H]1C(=O)NCCCSc1nccs1	827474816	NGSWMMLKJVGGNJ-JTQLQIEISA-N	299.421	1.362	10	20	CDCD	
CC[C@@H](NCc1ccc([N+](=O)[O-])c(OC)c1O)[C@@H](C)O	824921535	MTDCTGUUQWBZEK-PSASIEDQSA-N	284.312	1.558	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1[C@@H]2CCC(=O)[C@H]21	907274136	PNFQVYWPFGEQMY-RZYIQFRBSA-N	289.331	1.370	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2CC(OC)C2)c1O	839131016	MIHJBIAOCAVEME-UHFFFAOYSA-N	268.269	1.140	10	20	CDCD	
CCC[C@@](C)(NC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)O	833648320	RNAVSPWUISNSJG-KEDPEKRHSA-N	293.319	1.871	10	20	CDCD	
C[C@H](NC(=O)N[C@@H]1CCNC1)c1ccc(N(C)C)cc1	841882653	MCTZQJQNFOBNHF-WCQYABFASA-N	276.384	1.475	10	20	CDCD	
CC[C@@H](C(=O)O)C(=O)N[C@@H](C)c1cc(OC)ccc1O	911343658	RZHNBJKGRWCXDN-WCBMZHEXSA-N	281.308	1.689	10	20	CDCD	
Cc1cc(O)ccc1NS(=O)(=O)N1CCCOCC1	844654894	LTFXVOYLXGGKGY-UHFFFAOYSA-N	286.353	1.080	10	20	CDCD	
Nc1ccc(-n2cc(CSCCO)nn2)cc1	849134621	JGJQNQAVSZVPKU-UHFFFAOYSA-N	250.327	1.075	10	20	CDCD	
COc1ccc(CN[C@@H](CO)[C@@H]2CCCOC2)cc1C	840962924	OFAIIKXXJPZSNS-CABCVRRESA-N	279.380	1.881	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)C1CC1	749400243	WBLUOHKSQNATEN-UHFFFAOYSA-N	290.363	1.664	10	20	CDCD	
C[C@@H](CC(=O)NCc1ccc(O)c(O)c1)n1ccnc1	845834132	LXIIDLHVQSZFQH-JTQLQIEISA-N	275.308	1.562	10	20	CDCD	
C[C@@H]1CCN(C(=O)NCCc2ccc(N)cc2)[C@H]1CO	841957941	FSQGXEHYJACAAI-RISCZKNCSA-N	277.368	1.224	10	20	CDCD	
CCCN1CC(=O)N[C@H]1c1ccc([N+](=O)[O-])c(OC)c1O	840824111	HMTXUFLHDYLMRU-CYBMUJFWSA-N	295.295	1.149	10	20	CDCD	
Cc1ccc(C(=O)N2CC[C@@H]3OCC[C@@H]3C2)c(O)c1O	843977290	QNEXAHLODHYTGD-PWSUYJOCSA-N	277.320	1.657	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)NC[C@H](C)N)c1	841990323	ZLWUEWULXQLPEI-IUCAKERBSA-N	267.329	1.108	10	20	CDCD	
CCc1cccc(CN[C@H]2CC(=O)N(C3CC3)C2)c1O	848901566	WCJAYZBHYKBCFT-ZDUSSCGKSA-N	274.364	1.808	10	20	CDCD	
CC1(NCc2ccc(N3CCOCC3)cc2)CCNCC1	841062667	BXGUSLFTYOGMBQ-UHFFFAOYSA-N	289.423	1.755	10	20	CDCD	
Nc1ccc(CCNC(=O)NC[C@H](O)C2CCC2)cc1	841955535	GBCUTHNWBHAFNY-AWEZNQCLSA-N	277.368	1.272	10	20	CDCD	
CON(C)CCN[C@H](C)c1cc(F)cc(F)c1O	850479649	YEIBCZCJVAKGLM-MRVPVSSYSA-N	260.284	1.814	10	20	CDCD	
CCN(CC)C(=O)CN[C@@H](C)c1cc([N+](=O)[O-])ccc1O	756458712	UKJZXJBVHGGWCK-JTQLQIEISA-N	295.339	1.819	10	20	CDCD	
O=C(NC/C=C\CO)NCc1ccc(N2CCCC2)cc1	853411092	CPDSPHPPIOYXFU-RJRFIUFISA-N	289.379	1.635	10	20	CDCD	
COC(=O)N1CCN(Cc2cc(C)cc(C)c2O)CC1	754723785	VKPYYJCIWJNFSI-UHFFFAOYSA-N	278.352	1.893	10	20	CDCD	
CN(C)CCOc1ccc(N(C)Cc2cn(C)nn2)cc1	761224340	WZXFYPKDXLGDQQ-UHFFFAOYSA-N	289.383	1.392	10	20	CDCD	
CCC[C@@H](O)CC(=O)NCCc1ccc(O)c(O)c1	767778940	PGGKWOKZGNOCFN-LLVKDONJSA-N	267.325	1.308	10	20	CDCD	
CCOc1ccc(CN2CC[C@H](C(N)=O)C2)c(O)c1	768137298	IXKYIWKZDZWNGG-NSHDSACASA-N	264.325	1.098	10	20	CDCD	
O=C(OCCNC(=O)C1CCCC1)c1cc(O)cs1	766104917	QVVSFHIBJLJZMA-UHFFFAOYSA-N	283.349	1.917	10	20	CDCD	
CSC[C@@H](CCO)NCc1ccc(C)cc1O	877052067	RBXWHILDMIRUTJ-GFCCVEGCSA-N	255.383	1.904	10	20	CDCD	
COc1ccc(CNCCO)cc1Cn1cccn1	873008605	RIAVFEXXBNQLDJ-UHFFFAOYSA-N	261.325	1.022	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)[C@H]2C[C@@H](O)C2)cc1	874085248	DFSOUIJOFBDOGT-OTVXOJSOSA-N	276.380	1.920	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2coc(C)n2)c1	776349922	MURIBTBTVINMAZ-UHFFFAOYSA-N	262.265	1.627	10	20	CDCD	
COc1ccc(CNCCNC(=O)[C@H](O)C(C)C)cc1C	1126618967	IXDFCSOOFNHEIB-OAHLLOKOSA-N	294.395	1.226	10	20	CDCD	
COc1ccc(O)c(S(=O)(=O)Nc2ccc(O)cc2)c1	776744068	DOOZSCXFTIILBG-UHFFFAOYSA-N	295.316	1.907	10	20	CDCD	
Cc1ncc(NC(=O)c2ccc(C)c(O)c2O)cn1	780929649	WPXPKXDGBVIHNH-UHFFFAOYSA-N	259.265	1.757	10	20	CDCD	
C[C@H](N[C@H](C)c1c(O)cccc1F)C(=O)NCCF	886606638	CMIWQQGQTYUWJP-BDAKNGLRSA-N	272.295	1.656	10	20	CDCD	
CCN(C)C(=O)[C@H](C)NC(=O)c1cc(O)cs1	789918570	KHWQVKHMBIONEC-ZETCQYMHSA-N	256.327	1.050	10	20	CDCD	
C[C@@H](NC(=O)c1cnn(C)n1)c1ccc(N(C)C)cc1	790968570	NABYZRLZAOUOJO-SNVBAGLBSA-N	273.340	1.372	10	20	CDCD	
OCC1(NCc2ccc(N3CCOCC3)cc2)CCC1	133136534	WMKWSYNNCCCRDO-UHFFFAOYSA-N	276.380	1.528	10	20	CDCD	
COc1ccc(CNC(=O)/C=C\C2CCOCC2)c(O)c1	794377386	NLDUZLNFIDIHCW-DJWKRKHSSA-N	291.347	2.000	10	20	CDCD	
Cc1ccc([C@@H](C)NCC(=O)NC(C)C)c(O)c1	36781429	FGQWKQXTMMGAMW-LLVKDONJSA-N	250.342	1.876	10	20	CDCD	
COc1ccc(O)c([C@H](C)NCCN2CCOCC2)c1	19954543	USDOLXHUSBDGBE-LBPRGKRZSA-N	280.368	1.384	10	20	CDCD	
COc1ccc(CNC(=O)[C@@H](N)C2CCCCC2)c(O)c1	1326339070	IUYFUPNRRVRCCZ-HNNXBMFYSA-N	292.379	1.925	10	20	CDCD	
CCOc1cccc(CN(C)CC(C)(C)N)c1O	692057987	JZQIAFILGQWDAI-UHFFFAOYSA-N	252.358	1.960	10	20	CDCD	
CCOc1cccc(CNC2CCN(OC)CC2)c1O	692124710	POFFICCCTLXYDC-UHFFFAOYSA-N	280.368	1.906	10	20	CDCD	
C[C@@H](C(=O)N(C)Cc1ccccc1O)n1ccnc1	1324415126	YUBBISWAXMCYSA-NSHDSACASA-N	259.309	1.808	10	20	CDCD	
CC(=O)NC1CCN(Cc2cc(C)ccc2O)CC1	92670194	WUHSOFCEGQENIK-UHFFFAOYSA-N	262.353	1.801	10	20	CDCD	
CCn1ncnc1CNCc1ccc2c(c1)CCO2	793346456	QSDANEWEKRFFHV-UHFFFAOYSA-N	258.325	1.523	10	20	CDCD	
Cc1cc(CN[C@H](C)c2cc(C(=O)O)ccc2O)n(C)n1	1600203748	UQPZWIFASOVQLK-SNVBAGLBSA-N	289.335	1.983	10	20	CDCD	
Cc1ccc(C(=O)N[C@@](C)(CC(=O)O)C2CC2)c(O)c1O	1600337676	LXZSFWZPEITKLY-HNNXBMFYSA-N	293.319	1.779	10	20	CDCD	
COC(=O)c1cnc(SCC(=O)CCC(=O)O)s1	1610218238	ANIALZAGCYJQSQ-UHFFFAOYSA-N	289.334	1.456	10	20	CDCD	
Nc1ccc(CCNC(=O)c2cccc(F)c2N)cc1	1580443420	DIGAGRMEQDCUAS-UHFFFAOYSA-N	273.311	1.963	10	20	CDCD	
C[C@H]1CCN(C(=O)c2c(F)ccc(O)c2O)C[C@H]1C(=O)O	1589348037	LJRRZKXFFNTHQP-JGVFFNPUSA-N	297.282	1.420	10	20	CDCD	
COC[C@@](C)(CC(=O)O)NCc1cc(F)ccc1O	1599149567	KTCNGWCQBRDPJB-CYBMUJFWSA-N	271.288	1.501	10	20	CDCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2NCCOCCO	20198980	GLOOUJWMGSDPGS-RYUDHWBXSA-N	265.353	1.847	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NCC(=O)NC2CC2)c1	36782390	GZIDFNYUNKJBTN-SECBINFHSA-N	264.325	1.330	10	20	CDCD	
CC[C@H](C)C[C@H](NC(=O)Cc1ccc(N)cc1)C(=O)O	400408821	XGUGQUVNEKQLNC-GWCFXTLKSA-N	278.352	1.817	10	20	CDCD	
Nc1ccc(NC(=O)NCCN2CCCC2=O)cc1	405318063	LSDBVRNJKUUUDR-UHFFFAOYSA-N	262.313	1.013	10	20	CDCD	
C[C@@H]1C[C@@H](C(=O)O)CN(C(=O)c2cccc(O)c2O)C1	398749450	VFLLSCVPWOEGML-RKDXNWHRSA-N	279.292	1.281	10	20	CDCD	
CCCOCC(=O)NCc1cc(OC)ccc1O	114543526	VIPIZOIHPSQXLM-UHFFFAOYSA-N	253.298	1.444	10	20	CDCD	
C[C@H](C#N)CN(C)CC(=O)NCc1ccc(N(C)C)cc1	64796550	DIGGNAARKWWVHL-CYBMUJFWSA-N	288.395	1.460	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2cccnc2O)c1	114544159	OGXMZWJQRHQWBJ-UHFFFAOYSA-N	274.276	1.431	10	20	CDCD	
CCOc1ccc(O)c(CN2CCS(=O)CC2)c1	119439028	QXJVSIYIBULWFO-UHFFFAOYSA-N	269.366	1.355	10	20	CDCD	
Cc1cc(=O)c(C(=O)NCCc2ccc(O)c(O)c2)c[nH]1	122519445	FDTRGWSGUBADSY-UHFFFAOYSA-N	288.303	1.067	10	20	CDCD	
Cc1cccc(CNC[C@H]2CCCS2(=O)=O)c1O	124860526	FZEYJCBKBBEUJK-GFCCVEGCSA-N	269.366	1.367	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NCC1(O)CCCC1	181080198	AAMYZUOGZKFZBY-GQCTYLIASA-N	277.320	1.532	10	20	CDCD	
COc1cccc(CN2CCO[C@H]([C@H]3CCCO3)C2)c1O	247230807	WHKUQZJOHJSEED-HIFRSBDPSA-N	293.363	1.781	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)[C@H]1CCCOC1	269139181	ZDCHRGRDSXOTQD-JTQLQIEISA-N	251.282	1.141	10	20	CDCD	
CC(=O)c1cc(F)cc(CNC2(CO)CCOCC2)c1O	267432152	DLSDCKOCZSXCRO-UHFFFAOYSA-N	297.326	1.365	10	20	CDCD	
CN(C)c1ccc(CN(Cc2nc(=O)[nH][nH]2)C2CC2)cc1	271202377	QYCRMDFYCOHKPA-UHFFFAOYSA-N	287.367	1.329	10	20	CDCD	
COc1cccc(CN2CC[C@H](N3CCCC3=O)C2)c1O	276857536	WEUZTRZVPJEKGU-ZDUSSCGKSA-N	290.363	1.598	10	20	CDCD	
COc1ccc(CNC[C@H](CO)[C@H]2CCOC2)cc1C	280249346	ITDGDKVHLLSVQL-LSDHHAIUSA-N	279.380	1.738	10	20	CDCD	
COC(=O)C[C@@H]1COCCN1Cc1ccc(N(C)C)cc1	376548146	WIBAEYGVLVWUBT-OAHLLOKOSA-N	292.379	1.517	10	20	CDCD	
CC[C@@](C)(OC)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	280827105	OSECXOOVHIKVDU-MEBBXXQBSA-N	281.352	1.960	10	20	CDCD	
C[C@@H](CN[C@@H]1CCc2cccc(O)c21)CN1CCOCC1	297540414	FBCUDQCWBSYTNT-DZGCQCFKSA-N	290.407	1.937	10	20	CDCD	
CCC[C@H](O)CNC(=O)c1c(F)ccc(O)c1O	295598392	XYZBGYMOVYWZAE-ZETCQYMHSA-N	257.261	1.128	10	20	CDCD	
CC(=O)C(=O)CSc1nnc(C)n1Cc1ccccc1	808013562	HVLUFWCNAGZTLB-UHFFFAOYSA-N	289.360	1.885	10	20	CDCD	
CC[C@@H](NC[C@H]1CC[C@@H](CO)O1)c1ccccc1O	294110513	KAXYYQKDTMCZGB-MBNYWOFBSA-N	265.353	1.973	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2CC(C(C)(C)O)C2)c1O	297305606	BWSKLUVFQNDHPB-UHFFFAOYSA-N	296.323	1.512	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@](C)(O)C2CCC2)c1	813488639	AYOMLTGHUAEHRT-OAHLLOKOSA-N	279.336	1.568	10	20	CDCD	
COc1ccc(O)c(CNC(=O)NCc2cncn2C)c1	812043861	RTWHJMMVILIHBY-UHFFFAOYSA-N	290.323	1.134	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)N[C@H](C)CN)c1	817966367	MFTOTLTXEMLUPW-RKDXNWHRSA-N	252.314	1.177	10	20	CDCD	
Cc1ccc(C(=O)NC2(CCO)CC2)c(O)c1O	817137845	QUURVRDPIJWJNS-UHFFFAOYSA-N	251.282	1.051	10	20	CDCD	
Cc1cc(CN2CCN3C(=O)CC[C@@H]3C2)ccc1N(C)C	815081124	SIFDORPTTUJPOL-OAHLLOKOSA-N	287.407	1.868	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)CN(C)C(C)=O)c1	728982358	LNTRJIKPRLAEOH-VIFPVBQESA-N	280.324	1.056	10	20	CDCD	
CN1CCCC[C@H](C(=O)N(C)Cc2ccccc2O)C1=O	820878535	KBVCXGJAGDRFCX-ZDUSSCGKSA-N	290.363	1.609	10	20	CDCD	
O=C(NCc1ccccc1O)[C@H](O)c1cccnc1	731872765	QGSFYIDGSFUVGB-CYBMUJFWSA-N	258.277	1.137	10	20	CDCD	
CCN(C)c1ccc(CN2CC(=O)N[C@H](C)C2)cc1	831769976	ZYSZINGZRDPADD-GFCCVEGCSA-N	261.369	1.463	10	20	CDCD	
CCN1C[C@H](N[C@H](C)c2cc([N+](=O)[O-])ccc2O)CC1=O	834891871	SZDXGNVMYKCHKU-NXEZZACHSA-N	293.323	1.572	10	20	CDCD	
CC[C@H](NC(=O)NCc1ccc(N(C)C)cc1)[C@H](C)O	836236818	UQSNGLCPFULACJ-FZMZJTMJSA-N	279.384	1.711	10	20	CDCD	
COc1cc(O)c(CNC(C)(C)CC(=O)O)cc1OC	833728746	KRNVQYYHGWINEE-UHFFFAOYSA-N	283.324	1.752	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H](N)C(C)C)c1	841943966	RXCRAVSUONXAJF-MFKMUULPSA-N	295.383	1.744	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)NC[C@H](C)N)cc1	841717642	MBOAUKSSQGAJMM-LBPRGKRZSA-N	278.400	1.679	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNCC[C@H]2CCNC2)c1O	841036456	ODTLZDMCYQSFHI-SNVBAGLBSA-N	295.339	1.398	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1CC[C@@](F)(CO)C1	840943343	NWBTULULSWGHIQ-HNNXBMFYSA-N	266.360	1.967	10	20	CDCD	
N[C@H]1CCN(C(=O)NCCCSc2nccs2)C1	841858308	WUMRQXIVKOIYCN-VIFPVBQESA-N	286.426	1.368	10	20	CDCD	
Cc1ccc(C(=O)OCCOC[C@H]2CCCO2)c(O)c1O	744910497	PWMNNBNWLMWVCZ-LLVKDONJSA-N	296.319	1.759	10	20	CDCD	
COc1cc(O)c(CN(C)[C@@H](C)CN)cc1OC	843050942	CDYPQFKXRPFAAI-VIFPVBQESA-N	254.330	1.188	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NCC2(N)CCCC2)cc1	851655440	VTGIGHHQKHXDJD-UHFFFAOYSA-N	290.411	1.823	10	20	CDCD	
COCc1nc(C(=O)N[C@H](C)c2ccccc2O)no1	866160721	DYLJMKDDOVAZPK-MRVPVSSYSA-N	277.280	1.413	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H]1CO[C@@H](C)C1	935949258	WLJMFCXYYCJVQV-WDEREUQCSA-N	284.352	1.919	10	20	CDCD	
CCOc1cccc(CN2CCC(OCCO)CC2)c1O	769536744	DNMXCTOOHYTVCF-UHFFFAOYSA-N	295.379	1.764	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCC(n2ccnn2)CC1	764994585	GHSGLDMBXAVVPC-UHFFFAOYSA-N	278.337	1.523	10	20	CDCD	
COc1ccc(O)c([C@H](C)NCC(=O)Nc2ccon2)c1	775372643	DYVDVLMHTYPDRH-VIFPVBQESA-N	291.307	1.678	10	20	CDCD	
Cc1nn(C)c(C)c1C(=O)NCc1cccc(O)c1O	1123978002	NZJBNRNGYHHOHO-UHFFFAOYSA-N	275.308	1.378	10	20	CDCD	
C[C@@H](NC(=O)[C@H]1COCCO1)c1ccc(N(C)C)cc1	773004780	ARBJEFGJVDHZDE-BXUZGUMPSA-N	278.352	1.345	10	20	CDCD	
CCN(C)S(=O)(=O)N[C@@H](C)c1ccc(N(C)C)cc1	773087248	HTZMPUQOOSGZFG-NSHDSACASA-N	285.413	1.600	10	20	CDCD	
COc1ccc(O)c(CN(CCO)CC2CC2)c1	775662506	UBYPKDQOEZQGMK-UHFFFAOYSA-N	251.326	1.605	10	20	CDCD	
Cc1cc(Cn2cc(CCCCN)nn2)ccc1N(C)C	881377196	IDZOCNIIZHNWEG-UHFFFAOYSA-N	287.411	1.982	10	20	CDCD	
O=C(NCc1ccccc1O)C1CN(C2CCOCC2)C1	896014963	GEOFACBKDZQPRL-UHFFFAOYSA-N	290.363	1.119	10	20	CDCD	
CN(C)c1ccc(CNC[C@@H]2COCCO2)cc1	37997892	PLXHYBOPQMHLGQ-CQSZACIVSA-N	250.342	1.258	10	20	CDCD	
CN(C)c1cc(F)c(CN[C@]2(CO)CCOC2)cc1F	1329721911	HIVDLKUPCRGFPW-AWEZNQCLSA-N	286.322	1.272	10	20	CDCD	
COCc1nocc1C(=O)NCc1ccc(OC)cc1O	1329555274	QTHMNHULGZFSKB-UHFFFAOYSA-N	292.291	1.465	10	20	CDCD	
Oc1c(F)cc(F)cc1CNCCn1cccn1	708534896	GFVMRXSIIWGHOJ-UHFFFAOYSA-N	253.252	1.657	10	20	CDCD	
Nc1ccc(CNC(=O)NCC2=CCCOC2)cc1	1338731759	JLUXQAOKPVXXOX-UHFFFAOYSA-N	261.325	1.415	10	20	CDCD	
O=C(O)CCCNC(=S)NCc1ccccc1O	1610770128	PXUOQBZLNZTUAX-UHFFFAOYSA-N	268.338	1.221	10	20	CDCD	
CN(C)c1ccc(/C=C\CNC[C@@](C)(O)C(=O)O)cc1	1593709161	YFDFSXHZFIUPKS-FOSCPCJNSA-N	278.352	1.191	10	20	CDCD	
CO[C@H]1CN(Cc2cc(F)cc(F)c2O)C[C@H]1OC	708414286	PZMCCLAWNGGLOI-TXEJJXNPSA-N	273.279	1.516	10	20	CDCD	
CN1CCN(c2ccc(CNCCCCCO)cc2)CC1	107797343	WICIKXPKQCCEIQ-UHFFFAOYSA-N	291.439	1.691	10	20	CDCD	
CC[C@@H](C)[C@@H](O)CNC(=O)c1ccc(C)c(O)c1O	179546335	CSYJEYKCQVOAEL-KCJUWKMLSA-N	267.325	1.543	10	20	CDCD	
Cc1cc(O)c(CN(C)CC(=O)N(C)C)cc1C	120413282	QSIZTYBLTZCMHU-UHFFFAOYSA-N	250.342	1.529	10	20	CDCD	
CNC(=O)CNCc1cc(Cl)cc(Cl)c1O	37224787	KVSRTCVPGSSMOA-UHFFFAOYSA-N	263.124	1.535	10	20	CDCD	
CCOc1cccc(CN(C)CCC(=O)O)c1O	77253449	BAOKTGYRMAYMET-UHFFFAOYSA-N	253.298	1.697	10	20	CDCD	
COC(=O)[C@H](NCc1cc(Cl)cc(C)c1O)[C@H](C)O	191958748	ZXEMBPBUTSMDHW-GZMMTYOYSA-N	287.743	1.366	10	20	CDCD	
COCCCN1CCN(c2ccc(OC)c(F)c2)CC1	84866428	BJUKSMJNMHDKAQ-UHFFFAOYSA-N	282.359	1.993	10	20	CDCD	
Oc1cccc2c1[C@@H](NC[C@@H](O)C(F)(F)F)CC2	295778147	ARMIHTQVEFOXOY-WCBMZHEXSA-N	261.243	1.892	10	20	CDCD	
Cc1cc(C(=O)N[C@H](C)CO)c(C)n1-c1ccccn1	97251066	BSJXPNJHYOWOLE-SNVBAGLBSA-N	273.336	1.600	10	20	CDCD	
C[C@@H](CN1CCCC1=O)N[C@@H]1CCc2cccc(O)c21	296189304	YKZMHUYHMBHEFV-WCQYABFASA-N	274.364	1.980	10	20	CDCD	
CC[C@@H](NC[C@@H](O)COC)c1ccc(N(C)C)cc1	268893248	KDEIRAZHYGVFTL-HUUCEWRRSA-N	266.385	1.801	10	20	CDCD	
CN(C)c1ccc(CNC[C@@]2(O)CCSC2)cc1F	266996902	BUVSZEBZNLZIID-AWEZNQCLSA-N	284.400	1.849	10	20	CDCD	
CC[C@H]1CN(C(=O)c2ccc(C)c(O)c2O)C[C@@H]1O	273028080	SHLHDYLBYRWLSQ-ONGXEEELSA-N	265.309	1.249	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2C[C@H](C)O[C@H](C)C2)c1O	278248911	OVPAKEKAHKBQEN-AOOOYVTPSA-N	296.323	1.918	10	20	CDCD	
COc1cc(N(C)Cc2cnnn2C)cc(OC)c1OC	272551307	RGWAJHBAVBXRLN-UHFFFAOYSA-N	292.339	1.477	10	20	CDCD	
Cc1nnc(COCC(=O)NCc2ccccc2O)s1	286799145	QNBVMPSECZBFNH-UHFFFAOYSA-N	293.348	1.385	10	20	CDCD	
C[C@@H](CN(C)C)NCc1ccc(N2CCOCC2)c(F)c1	808422826	DAMCYFKHYSKPJN-ZDUSSCGKSA-N	295.402	1.702	10	20	CDCD	
COc1cccc(O)c1CN(C)C[C@@H](O)C1CC1	809752138	NOZLVSOMRVBGJR-CYBMUJFWSA-N	251.326	1.604	10	20	CDCD	
CCOc1ccc(CN2CC(=O)N(CCOC)C2)c(O)c1	802659181	OHFZNNYXYOXUNN-UHFFFAOYSA-N	294.351	1.039	10	20	CDCD	
COc1cccc(CNC(=O)[C@@H](F)C(F)(F)F)c1O	290122032	NGQFAKDXKRKORP-SECBINFHSA-N	281.205	1.917	10	20	CDCD	
COC(=O)C[C@@H](C)CC(=O)NCc1cc(OC)ccc1O	809679403	CLRHRQWWCLZPOP-JTQLQIEISA-N	295.335	1.606	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@@H]2CCCCN2C)c1	824904254	KQUVFBVEYQYITL-ZDUSSCGKSA-N	262.353	1.801	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@H](O)C(C)(C)C	735848761	DGXYMCJLGFJEQK-LBPRGKRZSA-N	251.326	1.758	10	20	CDCD	
COc1ccc(CNC(=O)[C@@H]2CC[C@H]2C(=O)O)c(O)c1	901636723	OWDFMLMYBDYQNW-GHMZBOCLSA-N	279.292	1.128	10	20	CDCD	
COc1cccc(CN2CC[C@H](OC)C[C@@H]2C(=O)O)c1O	833735674	SJARNUMVTGPFHA-NWDGAFQWSA-N	295.335	1.465	10	20	CDCD	
N[C@H]1CCN(Cc2ccc(N3CCOCC3)cc2)C1	843047339	RIMDHGRYTJVTHE-AWEZNQCLSA-N	261.369	1.056	10	20	CDCD	
CCN(CC)c1ccc(CN2CCO[C@@H](CN)C2)cc1F	843065447	FKORBILVJKATFU-AWEZNQCLSA-N	295.402	1.831	10	20	CDCD	
COC/C(C)=C/C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	845929350	BDCJQIISIDMRTA-CDCCAWJDSA-N	279.336	1.738	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN(C)[C@H]1CCN(C)C1=O	840916486	AFDODXPLKUZCIV-HNNXBMFYSA-N	275.396	1.724	10	20	CDCD	
Nc1ccc(CC(=O)N2CCN(c3ccncc3)CC2)cc1	746296117	WMYVTMAHLICWRO-UHFFFAOYSA-N	296.374	1.555	10	20	CDCD	
CC[C@@H](C(=O)O)C(=O)NCc1cc(OC)ccc1O	911386695	GBFSVGSLHAQOJC-SNVBAGLBSA-N	267.281	1.128	10	20	CDCD	
Cc1occc1C(=O)NCC(=O)NCc1ccccc1O	748345836	PEDULXBLFRTTMT-UHFFFAOYSA-N	288.303	1.340	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CCC(=O)N2C)c1	752595393	DTZALTMRMSQEGK-SKDRFNHKSA-N	292.335	1.199	10	20	CDCD	
C[C@@H]1C[C@@H](NC[C@@H](O)CN(C)C)c2c(O)ccc(F)c21	756552218	DCVTZKMJSRBXHG-CKYFFXLPSA-N	282.359	1.592	10	20	CDCD	
C[C@@H](NCC1(O)CCC1)c1cc([N+](=O)[O-])ccc1O	756562724	JAZJETCRTZDZKD-SECBINFHSA-N	266.297	1.866	10	20	CDCD	
CC[C@H](NC[C@@H](C)S(C)(=O)=O)c1ccccc1O	697579824	OIZLBUXYXLFFQB-PWSUYJOCSA-N	271.382	1.866	10	20	CDCD	
COc1ccc(CN[C@H](C(N)=O)C(C)(C)C)cc1C	930011817	ODERZPGWQBXJHU-CYBMUJFWSA-N	264.369	1.993	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)CCCCO)c1	866763694	HLLYDCQHJLCZOI-SNVBAGLBSA-N	267.325	1.741	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@@H]2C[C@]23CCOC3)c1	862756934	BAPFCEOTUXAFFJ-WFASDCNBSA-N	261.321	1.743	10	20	CDCD	
C[C@@H](C[C@@H](C)O)NCc1ccc(N2CCC(O)CC2)cc1	877196029	RLCCNOMIZTWBGD-UONOGXRCSA-N	292.423	1.897	10	20	CDCD	
CONC(=O)C1CCN(Cc2cc(C)cc(C)c2O)CC1	872792678	XQTURZMZSXQBHV-UHFFFAOYSA-N	292.379	1.899	10	20	CDCD	
CCO[C@@H]1C[C@H](NCc2ccc(C)cc2O)[C@H]1OC	877352446	YHMPIDOPORHYFV-NWANDNLSSA-N	265.353	1.983	10	20	CDCD	
Cc1cc(CNC(=O)/C=C\c2ccc(O)c(O)c2)no1	779499742	OYONJRVTGWRHGE-HYXAFXHYSA-N	274.276	1.724	10	20	CDCD	
CC[C@@H](N)c1cn(Cc2cc(F)cc(C(C)=O)c2O)nn1	880996053	NBPCFUNOKAHMQH-GFCCVEGCSA-N	292.314	1.784	10	20	CDCD	
O=C(N[C@H]1CN(c2ccccc2)C1=O)c1cc(O)cs1	782877473	OIQWNXYKMSTHDJ-NSHDSACASA-N	288.328	1.599	10	20	CDCD	
CN(C)c1ccc(CN2CCc3nn[nH]c3C2)cc1	785827614	OZAXOBOXWIKEPK-UHFFFAOYSA-N	257.341	1.429	10	20	CDCD	
C[C@@H]1C[C@H](O)CN1Cc1ccc(N2CCN(C)CC2)cc1	788271162	ZRXYGLVTBLFNBD-PBHICJAKSA-N	289.423	1.394	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N(C)CC(=O)O	780576815	LBVMXFPWZSCYRF-UHFFFAOYSA-N	279.340	1.287	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)NOCCOC)cc1	788879896	GKWGYYSYXBNJHA-UHFFFAOYSA-N	295.383	1.910	10	20	CDCD	
Cc1ccc(O)c(CN(CC(N)=O)C2CCCC2)c1	132981578	NNQHTWQVHAWTGE-UHFFFAOYSA-N	262.353	1.931	10	20	CDCD	
COc1ccc(CNC(=O)Cc2ccco2)c(O)c1	794377057	LGJPHOLVTREBKQ-UHFFFAOYSA-N	261.277	1.853	10	20	CDCD	
COc1ccc(CNc2nccn3cnnc23)c(O)c1	795285683	UOYDXAKPYBFTGN-UHFFFAOYSA-N	271.280	1.451	10	20	CDCD	
C[C@@H](NC(=O)NCc1ccc(N)cc1)[C@H]1CCCOC1	1338584361	YMKDHCIJHMVRDW-YPMHNXCESA-N	277.368	1.883	10	20	CDCD	
C[C@@]1(CNC(=O)NCc2ccc(N)cc2)CCCO1	1336845340	NRYDILUUOCGRRM-AWEZNQCLSA-N	263.341	1.637	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@H]2CC[C@H](N)C2)cc1	91542437	MOSPQYNYDRDPSU-OLZOCXBDSA-N	261.369	1.496	10	20	CDCD	
C[C@H]1COCC[C@@H]1CNC(=O)NCc1ccc(N)cc1	1346646440	DZUAQTICEZZRMA-WCQYABFASA-N	277.368	1.741	10	20	CDCD	
CCOC1(C(=O)NCc2cccc(O)c2O)CCOCC1	1349080092	ZJIMUNMISCWYAV-UHFFFAOYSA-N	295.335	1.300	10	20	CDCD	
CCc1c(C(=O)NCc2cccc(O)c2O)ccn1C	1528770887	FBKNRHZULNNAKP-UHFFFAOYSA-N	274.320	1.929	10	20	CDCD	
C[C@@H]1OCC[C@]1(O)CNCc1ccc2c(c1)CCCO2	922074083	RGICJZZEPLVBDY-LRDDRELGSA-N	277.364	1.641	10	20	CDCD	
COc1ccc(O)c(CN2CC[C@@H](C(=O)N(C)C)C2)c1	840957110	DONKKWBEHDRSAN-LLVKDONJSA-N	278.352	1.311	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)c1ccc(=O)n(C)c1	68087424	KATFYVWOPSRWIK-UHFFFAOYSA-N	272.304	1.363	10	20	CDCD	
CCOC(=O)CCCNC(=O)Cc1ccc(N)cc1	81133921	DGBOCGOSIKCQOO-UHFFFAOYSA-N	264.325	1.271	10	20	CDCD	
COc1cc(Cl)cc(CNCCCn2cncn2)c1O	381818569	UDANVRPKVUKJHP-UHFFFAOYSA-N	296.758	1.826	10	20	CDCD	
CC[C@H](NC[C@@](C)(O)COC)c1ccccc1O	382563263	MQXHDOJWDCUFOA-GXTWGEPZSA-N	253.342	1.830	10	20	CDCD	
COc1cccc(O)c1CN1CC[C@H](C(=O)O)C1	820871341	ZCAMCIPOAJXUNH-VIFPVBQESA-N	251.282	1.307	10	20	CDCD	
COCCCCC(=O)NCc1cccc(OC)c1O	105650983	GMGRCMDIJMKMFI-UHFFFAOYSA-N	267.325	1.834	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2ccc(C=O)[nH]2)cc1F	175179797	PBGOFKWHXDRIQX-UHFFFAOYSA-N	289.310	1.962	10	20	CDCD	
C[S@@](=O)CCCNCc1cc([N+](=O)[O-])ccc1O	116918430	RKCPBKSZVVUORT-SFHVURJKSA-N	272.326	1.159	10	20	CDCD	
CCCN(Cc1ccccc1O)[C@@H](C)C(=O)NC(=O)NC	174374439	WWXTUHBGUHCBLK-NSHDSACASA-N	293.367	1.448	10	20	CDCD	
C[C@H]1CO[C@H](C)CN1C(=O)c1cccc(O)c1O	126259143	PEHMQPPUCXUBQV-DTWKUNHWSA-N	251.282	1.347	10	20	CDCD	
CC[C@@H](C(=O)NCc1ccc(O)c(O)c1)N(C)C	182513774	MQWJGIGGQHHRJY-JTQLQIEISA-N	252.314	1.054	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NCC(=O)C1CC1	180788632	YBUULGNPLCCGOD-QHHAFSJGSA-N	261.277	1.206	10	20	CDCD	
O=C(NCc1c(O)ccc2c1CCCC2)C1(O)CCC1	184991978	VZJDXMGDGKQREV-UHFFFAOYSA-N	275.348	1.802	10	20	CDCD	
COC(=O)COc1ccc(N(C)Cc2ccnn2C)cc1	183791573	QNOLBCCJGXVTKC-UHFFFAOYSA-N	289.335	1.608	10	20	CDCD	
C[C@H](C(=O)NCc1ccc(N(C)C)cc1)n1cccn1	45054226	LIBDBCCMXALOKF-GFCCVEGCSA-N	272.352	1.827	10	20	CDCD	
O=C(NCc1ccc(N2CCCC2)cc1)C1CCNCC1	195171446	LVMMXJYZILRISL-UHFFFAOYSA-N	287.407	1.903	10	20	CDCD	
Cc1cc(O)c(CNCC2(O)CCOCC2)cc1C	266216184	PUSZWWWDLAQUGQ-UHFFFAOYSA-N	265.353	1.640	10	20	CDCD	
CC[C@@H](CO)N[C@H](C)c1cc([N+](=O)[O-])ccc1O	273415831	QWKONFHOOWVLRI-BDAKNGLRSA-N	254.286	1.722	10	20	CDCD	
CC[C@](C)(O)CNCc1ccc([N+](=O)[O-])c(OC)c1O	278916267	UEYOTIILFYKGME-ZDUSSCGKSA-N	284.312	1.560	10	20	CDCD	
C[C@H]1[C@@H](C)N(C(=O)c2cccc(O)c2O)CC[S@]1=O	279390606	VUSKIZBCAPQFRC-BLBZPCKPSA-N	283.349	1.079	10	20	CDCD	
Cc1ccc(C(=O)N[C@H](C)CCN(C)C)c(O)c1O	272550381	AUPFIJMSFJWYMZ-SNVBAGLBSA-N	266.341	1.476	10	20	CDCD	
CCC[C@@H](O)CNC(=O)/C=C/c1ccc(O)c(O)c1	272615195	HWRGRFHHYJZZND-OKPNEXGHSA-N	265.309	1.388	10	20	CDCD	
COC(=O)[C@@H](C)N(C)Cc1ccc(N(C)C)c(F)c1	280859990	NDBMYNNZDISKAX-SNVBAGLBSA-N	268.332	1.885	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1ncn(C)n1	289288463	AVOCCKHMMZFLMP-UHFFFAOYSA-N	273.340	1.153	10	20	CDCD	
CC(C)NS(=O)(=O)CCN[C@@H]1CCc2cccc(O)c21	297150128	ZWWRUDKUHYXYRE-GFCCVEGCSA-N	298.408	1.297	10	20	CDCD	
C[C@@]1(C(=O)OCC(=O)c2ccc(O)c(O)c2)CC1(F)F	817248539	NDOBSBPUPZOIDL-LBPRGKRZSA-N	286.230	1.869	10	20	CDCD	
COc1cccc(CN2CC[C@H](CCCO)C2)c1O	825338006	KTQLPUXQEJCPMY-LBPRGKRZSA-N	265.353	1.995	10	20	CDCD	
CNC(=O)CN(C)Cc1cc(Cl)cc([N+](=O)[O-])c1O	827867872	RSPJXLYFNKVHCQ-UHFFFAOYSA-N	287.703	1.132	10	20	CDCD	
Cc1ccc(C(=O)OCC(=O)c2cccn2C)c(O)c1O	727003731	DGLSMKNHHFMVSY-UHFFFAOYSA-N	289.287	1.784	10	20	CDCD	
C/C(Cl)=C/C(=O)NCCc1ccc(O)c(O)c1	901124732	ZKRUTJURFOMDBA-VURMDHGXSA-N	255.701	1.899	10	20	CDCD	
CC[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)[C@@H](C)O	836862972	PESYLTUVNFBIKA-CZVSDVRESA-N	265.309	1.387	10	20	CDCD	
Cc1ccncc1/C=C/C(=O)N(C)c1cnn(C)c1	492456019	IVMMQTXPDPXGQN-SNAWJCMRSA-N	256.309	1.800	10	20	CDCD	
CCN1C[C@H](N[C@H](C)c2cc(F)cc(F)c2O)CC1=O	834890728	PBBCAAICPHGWJP-PSASIEDQSA-N	284.306	1.942	10	20	CDCD	
CCN(CC)c1ccc(CN[C@H](C(=O)O)[C@H](C)O)cc1F	904043046	OQZIAHJMXOEXIG-HZMBPMFUSA-N	298.358	1.596	10	20	CDCD	
COc1ccc(N2CCCN(C(=O)CCO)CC2)cc1	902816653	WKYDMFBLVPHDIK-UHFFFAOYSA-N	278.352	1.116	10	20	CDCD	
COCCN(CCC(=O)O)Cc1cc(F)ccc1O	904269313	AWXWFVXRBDEWCJ-UHFFFAOYSA-N	271.288	1.454	10	20	CDCD	
CC[C@@H](C)C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1	832293633	ZKHFWJKIDFPFBB-BXUZGUMPSA-N	263.385	1.915	10	20	CDCD	
CCOc1ccc(CNC[C@@H]2CCCNC2=O)c(O)c1	839197088	ZUAXKADCZAHBEJ-LBPRGKRZSA-N	278.352	1.407	10	20	CDCD	
COc1ccc(CNC(=O)NCC2=CCNCC2)c(O)c1	841972241	ZBDAVXOQIYSGJE-UHFFFAOYSA-N	291.351	1.120	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)NCC1(N)CCC1	841966397	AWGPCILQSAXIBO-UHFFFAOYSA-N	290.411	1.775	10	20	CDCD	
COc1cc(O)c(CN2CC[C@@]3(CCNC3)C2)cc1OC	843120433	KOFAFAGDLSSGMP-MRXNPFEDSA-N	292.379	1.595	10	20	CDCD	
COc1ccc(O)c(CNC2(C)CCNCC2)c1	841065577	QSOUNCPEKHVVGX-UHFFFAOYSA-N	250.342	1.633	10	20	CDCD	
COC[C@H](C)NC(=S)NCc1ccccc1O	748159411	WIJWSBUYFACHJM-VIFPVBQESA-N	254.355	1.391	10	20	CDCD	
C[C@H](CNCc1cc(Br)ccc1O)C(=O)O	848637305	FFNKENQVLZHAJP-SSDOTTSWSA-N	288.141	1.965	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NC[C@H]2CCN2C)cc1F	915365472	GDLZMTLITMDHFX-GFCCVEGCSA-N	294.374	1.395	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)O[C@H]1CNOC1	919073329	XIONLLIVLOAKBS-ZDUSSCGKSA-N	279.340	1.191	10	20	CDCD	
Cn1cccc1CNC(=S)NC1CCOCC1	743062174	UALWOSXLHZOGFQ-UHFFFAOYSA-N	253.371	1.168	10	20	CDCD	
CN1CCN(c2ccc(CNC3CCNCC3)cc2)CC1	841026597	KOGJDTYBBGCVOC-UHFFFAOYSA-N	288.439	1.280	10	20	CDCD	
CC[C@H](N)CNCc1cccc(Br)c1O	841070205	MLFAKESPANJRHQ-VIFPVBQESA-N	273.174	1.982	10	20	CDCD	
C[C@@H](NC[C@@H](C)S(C)(=O)=O)c1ccc(F)cc1O	697583676	UBRBXROQNOIQSO-RKDXNWHRSA-N	275.345	1.615	10	20	CDCD	
CNC[C@H](C)N[C@@H](C)c1cc([N+](=O)[O-])ccc1O	854232293	OYHKPAQVGLTIAR-IUCAKERBSA-N	253.302	1.559	10	20	CDCD	
CN(C)c1cc(F)c(CNCCC[S@@](C)=O)cc1F	858140088	ZNYGEQVWXXWGLM-LJQANCHMSA-N	290.379	1.889	10	20	CDCD	
CCN(CC)c1ccc(CN[C@@H]2COC[C@@H]2O)cc1F	865667331	YRMQEPLKHOCYLB-HIFRSBDPSA-N	282.359	1.521	10	20	CDCD	
CC[C@H](CS(=O)(=O)N[C@H](C)c1ccccc1O)OC	867835131	USTAHWKKAAQSIX-GHMZBOCLSA-N	287.381	1.798	10	20	CDCD	
O=C1N[C@H](C2CC2)C(=O)N1CCCSc1nccs1	761301792	UFVMGNAYXHNCBP-SECBINFHSA-N	297.405	1.956	10	20	CDCD	
Cc1nn2cccnc2c1C(=O)NCc1ccc(O)c(O)c1	768914837	MSGWBOMIZJDPAO-UHFFFAOYSA-N	298.302	1.379	10	20	CDCD	
C[C@H]1C[C@@H](O)CN1Cc1cc(F)c(N(C)C)cc1F	862338982	JASKDNILILZIFG-GXSJLCMTSA-N	270.323	1.986	10	20	CDCD	
CS[C@@H](CO)[C@@H](C)NC(=O)c1cc(O)cs1	769340434	JVVUAWOPBUUOMA-MUWHJKNJSA-N	261.368	1.296	10	20	CDCD	
CN(C(=O)CCOC1CCOCC1)c1ccc(N)cc1	877077743	SNPUSRYEXDCBPM-UHFFFAOYSA-N	278.352	1.817	10	20	CDCD	
COc1cccc(CN2CCN(C)[C@@H](C)[C@@H]2C)c1O	775983098	BBZBYQPOLZVXJF-RYUDHWBXSA-N	264.369	1.925	10	20	CDCD	
Nc1ccc(CCNC(=O)CCNCC2CC2)cc1	870937220	WWMSUGAGVRMXET-UHFFFAOYSA-N	261.369	1.317	10	20	CDCD	
Cc1ccc(C(=O)OCC(=O)OCC(C)C)c(O)c1O	776382504	WJQPBESYRDMVPA-UHFFFAOYSA-N	282.292	1.762	10	20	CDCD	
O=C(O)[C@H]1C[C@@H](NCc2cc(Cl)ccc2O)C1	874047323	VEYAWKLUTNGCJU-WKFQBHICSA-N	255.701	1.998	10	20	CDCD	
CN1CCN(Cc2cc(Cl)ccc2O)[C@@H](CO)C1	877643454	FDLSEMNRUGICCB-GFCCVEGCSA-N	270.760	1.154	10	20	CDCD	
NC(=O)NCc1ccc(NC(=O)c2cc(O)cs2)cc1	776227549	YXWCAVWKFAEHCM-UHFFFAOYSA-N	291.332	1.874	10	20	CDCD	
C[C@H]1COCCN1Cc1ccc(N2CCC(O)CC2)cc1	876611398	ZPXXOAUBAFAXFF-AWEZNQCLSA-N	290.407	1.868	10	20	CDCD	
Cc1ccc(CN[C@@H](C)c2nnnn2C2CC2)c(O)c1	877473569	JZIWTASUUOAISX-JTQLQIEISA-N	273.340	1.873	10	20	CDCD	
CN(CCN1CCCC1)C(=O)/C=C/c1ccc(O)c(O)c1	779485226	ZONZYFQNHQHECA-FNORWQNLSA-N	290.363	1.665	10	20	CDCD	
CC[C@@H](O)c1cn(Cc2ccc(N(C)C)cc2)nn1	881272543	ZHWODDUILASOMJ-CQSZACIVSA-N	260.341	1.836	10	20	CDCD	
O=CN1CCC(NCc2ccc3c(c2)CCO3)CC1	774162628	QUOSDJJFLGJYDI-UHFFFAOYSA-N	260.337	1.332	10	20	CDCD	
CC(C)(C)N1C[C@@H](C(=O)NCc2ccc(N)cc2)CC1=O	1122535497	ATQGPWVZEWZNJR-LBPRGKRZSA-N	289.379	1.532	10	20	CDCD	
CC(C)(C)C(=O)OCC(=O)c1ccc(O)c(O)c1	782985552	IHQBPOMWJVIDIR-UHFFFAOYSA-N	252.266	1.870	10	20	CDCD	
CC(C)CO[C@@H](C)C(=O)OCC(=O)c1ccc(O)c(O)c1	783006938	COIUZAIYEYPAMZ-JTQLQIEISA-N	296.319	1.885	10	20	CDCD	
C[C@@H](NC(=O)N[C@H]1CCCNC1)c1ccccc1O	892017584	WDKDGOLEVIVMIC-MNOVXSKESA-N	263.341	1.504	10	20	CDCD	
C[C@H]1C[C@@H](O)CN1C(=O)NCc1ccc(N(C)C)c(F)c1	788313935	SEOULGZOAWPMRZ-CMPLNLGQSA-N	295.358	1.556	10	20	CDCD	
CCOc1ccc(CN[C@@H]2C(=O)NCC[C@H]2C)c(O)c1	799347938	SLHAOQYWFPRMDX-YGRLFVJLSA-N	278.352	1.405	10	20	CDCD	
CCS(=O)(=O)C[C@@H](C)NCc1ccc(N)cc1	1356083691	XYKFWAWHJRKRRG-SNVBAGLBSA-N	256.371	1.182	10	20	CDCD	
Cc1cc(O)c(CN2CCC(OCC(N)=O)CC2)cc1C	1319823264	KKYMQKHOYISSRO-UHFFFAOYSA-N	292.379	1.475	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CO[C@H]2CCOC2)cc1	1323525863	KNWKUIYDVCSYJX-AWEZNQCLSA-N	278.352	1.174	10	20	CDCD	
CCc1cccc(CN2CCN3C(=O)CC[C@@H]3C2)c1O	709344051	LJKRUNMRCVCJOW-CQSZACIVSA-N	274.364	1.761	10	20	CDCD	
CN(C)CCN(Cc1ccccc1O)C[C@H]1CCCO1	756327979	XXXUMGOJQOGWGK-OAHLLOKOSA-N	278.396	1.935	10	20	CDCD	
O=C(O)[C@@H]1[C@@H](CNCc2ccc3c(c2)CCO3)C1(F)F	715337087	ZGCWHIUOJYLSSW-PWSUYJOCSA-N	283.274	1.677	10	20	CDCD	
C[C@@H](CO)C1CCN(C(=O)NCc2ccc(N)cc2)CC1	1335727092	YSKBPHILQURRKS-LBPRGKRZSA-N	291.395	1.819	10	20	CDCD	
O=C(O)[C@@H](CC(F)F)NCc1ccc2c(c1)CCO2	1331962759	HKJARIBBJITTPS-SNVBAGLBSA-N	271.263	1.820	10	20	CDCD	
COc1ccc(N(C)C[C@H]2CN(C)C(=O)O2)cc1OC	1261236956	CGNPABLUXSOKBM-NSHDSACASA-N	280.324	1.591	10	20	CDCD	
Nc1ccc(CN2CCC([C@H](O)c3ncc[nH]3)CC2)cc1	1262488030	NQIWXHXBAHBENE-HNNXBMFYSA-N	286.379	1.938	10	20	CDCD	
CCc1ccccc1C=C1C(=O)N(C)C(=O)N(C)C1=O	1515138782	LWXYQYRXZKFZBE-UHFFFAOYSA-N	272.304	1.683	10	20	CDCD	
CN(C)c1ccc(CN[C@@H](CF)C(=O)O)cc1F	1606055684	LXSHQWRSIRELGM-JTQLQIEISA-N	258.268	1.404	10	20	CDCD	
Cc1cc(O)c(CNC[C@]2(C(=O)O)CCOC2)c(Cl)c1	1600286153	MAIUULYRNNULGW-CQSZACIVSA-N	299.754	1.935	10	20	CDCD	
C[C@@H]1[C@H](C(=O)O)CCN1Cc1cc2c(cc1O)OCO2	1609835546	URXXFIXWXLEXIA-PSASIEDQSA-N	279.292	1.416	10	20	CDCD	
COc1cc(NC(=O)NCc2ccc(N)cc2)nn1C	1579163978	FDKUDAZJWAEUIW-UHFFFAOYSA-N	275.312	1.333	10	20	CDCD	
CC(=O)NCCCSc1ncc(C(=O)O)s1	1589137608	KAKFJOIXBWQXJA-UHFFFAOYSA-N	260.340	1.460	10	20	CDCD	
C[C@@H](NC[C@H]1CCCO1)c1cccc(-c2nn[nH]n2)c1O	1589965874	RHNOSOBPHTUEEI-NXEZZACHSA-N	289.339	1.402	10	20	CDCD	
O=C(O)[C@@H]1CCCN(Cc2ccc(F)c(F)c2O)C1	1595164787	VZQIQTDJSFJQTN-SECBINFHSA-N	271.263	1.967	10	20	CDCD	
C[C@@H](NCC(F)(F)CN)c1cc(C(=O)O)ccc1O	1593249571	XKSHVCKUHZWYCJ-SSDOTTSWSA-N	274.267	1.335	10	20	CDCD	
COC(=O)C[C@H](CC(=O)O)NCc1ccc(N(C)C)cc1	1777108241	VGMGTYJAEDDXKJ-LBPRGKRZSA-N	294.351	1.249	10	20	CDCD	
CC[C@@H](O)COc1ccc(N2CCN(C(C)=O)CC2)cc1	156971778	RSZWTTSUDGMKCZ-OAHLLOKOSA-N	292.379	1.505	10	20	CDCD	
O=C1C[C@@H](CNCc2ccc3c(c2)CCCO3)CN1	922185162	ZICYFFBJUVXORP-LBPRGKRZSA-N	260.337	1.237	10	20	CDCD	
C[C@H](NCc1ccc(N2CCOCC2)cc1)C(=O)O	49355101	HIHAOPHMFQYQAA-NSHDSACASA-N	264.325	1.086	10	20	CDCD	
CCOc1cccc(CN[C@@H]2CCC[C@H]2O)c1O	323256431	FTNVINAYWAOQKA-VXGBXAGGSA-N	251.326	1.794	10	20	CDCD	
CNC(=O)[C@H](CC(C)C)NCc1cc(F)cc(F)c1O	708505641	YQWLSIHAJCNXMX-LBPRGKRZSA-N	286.322	1.921	10	20	CDCD	
COc1cccc(CNCCc2cnccn2)c1O	389911863	BWNLWNZSDQGBLX-UHFFFAOYSA-N	259.309	1.523	10	20	CDCD	
Cc1ccc(C(=O)C(=O)NCCc2ccc(O)c(O)c2)cc1	115633637	OVNQIPZGJJGLRM-UHFFFAOYSA-N	299.326	1.948	10	20	CDCD	
COc1ccc(O)c(CN2CCC[C@@](C)(CO)C2)c1	305767340	HYJQEVBSTCNKJI-OAHLLOKOSA-N	265.353	1.995	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N(CCO)C2CC2)cc1F	60588950	IKTCCXCIULUBBW-UHFFFAOYSA-N	295.358	1.558	10	20	CDCD	
C[C@]1(C(N)=O)CCN(Cc2cccc(Cl)c2O)C1	235746822	YDUYWGBPYWJSAN-ZDUSSCGKSA-N	268.744	1.743	10	20	CDCD	
C[C@H](NCCC(=O)N(C)C)c1ccc(F)cc1O	62747686	LQMZUWGENIVYOT-VIFPVBQESA-N	254.305	1.660	10	20	CDCD	
C[C@H](NCC(=O)N1CCOCC1)c1cc(Cl)ccc1O	186235198	FEMDBVUHRHWVRS-JTQLQIEISA-N	298.770	1.555	10	20	CDCD	
C[C@H](NC(=O)c1cccc(O)c1O)[C@H]1CCOC1	126569234	LDAJDXXEWZQKKM-IUCAKERBSA-N	251.282	1.253	10	20	CDCD	
C/C=C/C[C@@H](CO)NCc1cccc(OC)c1O	185815318	FJIIKDDFXREEOC-PCAWENJQSA-N	251.326	1.818	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)C[C@H]1CCNC1	130924189	FSLXNAWZGSDDGU-GFCCVEGCSA-N	289.379	1.478	10	20	CDCD	
CCOC(=O)[C@H](C)NCc1ccc(N(C)C)cc1	49368927	FOZSXUGXZYWWEV-NSHDSACASA-N	250.342	1.794	10	20	CDCD	
CC(C)N1CC[C@H](CNCc2cc3c(cc2O)OCO3)C1	42880358	FTDKWEPVOMNWHK-GFCCVEGCSA-N	292.379	1.941	10	20	CDCD	
CO[C@H]1CCN(Cc2cc3c(cc2O)OCO3)C1	234832231	SRPKIEACFKHTMZ-JTQLQIEISA-N	251.282	1.342	10	20	CDCD	
Cc1ccc(O)c(CN(CCS(C)(=O)=O)C2CC2)c1	93816585	XMJGGHDEILBCNW-UHFFFAOYSA-N	283.393	1.710	10	20	CDCD	
COCC[C@@H](C)NC(=O)NCc1ccccc1O	263763823	RUTTUFYNFPFCAE-SNVBAGLBSA-N	252.314	1.616	10	20	CDCD	
CC[C@@H](C(=O)NCCc1ccc(O)c(O)c1)N(CC)CC	269204825	MYXQCOAWIVOHMN-ZDUSSCGKSA-N	294.395	1.877	10	20	CDCD	
COCCN1CC[C@@H](NCc2cc(C)c(C)cc2O)C1	266170757	CGSNYYPELISJCY-OAHLLOKOSA-N	278.396	1.819	10	20	CDCD	
Cc1ccc(C(=O)N[C@H](C)[C@@H]2CCOC2)c(O)c1O	272745689	NALIIJSJVLAKFB-NXEZZACHSA-N	265.309	1.561	10	20	CDCD	
CC1(C)CN(C(=O)/C=C/c2ccc(O)c(O)c2)C[C@@H]1O	279121986	AHJXWWZDMHCFGY-BPJJOFIESA-N	277.320	1.340	10	20	CDCD	
C[C@H](N[C@H](C)c1ccc(N(C)C)cc1)C(=O)NCCF	282864728	UVUZCYJAURFEEM-NEPJUHHUSA-N	281.375	1.877	10	20	CDCD	
C[C@H](NCc1cc(F)ccc1O)C(=O)NCCF	282883811	YSUNZUQMWKWLPM-QMMMGPOBSA-N	258.268	1.095	10	20	CDCD	
O=C1N[C@H]2CN(Cc3cc(F)ccc3O)CC[C@@H]2CO1	281319671	RAVHSSNPEMDPTG-SKDRFNHKSA-N	280.299	1.462	10	20	CDCD	
COCC[C@H]1COCCN1Cc1ccccc1O	291024149	AORWYUINXRRJAH-ZDUSSCGKSA-N	251.326	1.630	10	20	CDCD	
CNC(=O)[C@H](CCSC)N[C@@H](C)c1ccccc1O	806664016	XNQAONSSCGUZFK-JQWIXIFHSA-N	282.409	1.911	10	20	CDCD	
CC(=O)C(=O)COC(=O)c1ccc(F)cc1Cl	808487706	QPHCZCQRIXNAAC-UHFFFAOYSA-N	258.632	1.794	10	20	CDCD	
O=C(c1c(F)ccc(O)c1O)N1CC[C@@H](n2cccn2)C1	296283934	YWKGLNNVEKSEAT-SECBINFHSA-N	291.282	1.521	10	20	CDCD	
C[C@]1(C(=O)NCc2ccc(O)c(O)c2)CC1(F)F	817550465	VHPJWOLTEGGXQI-LLVKDONJSA-N	257.236	1.759	10	20	CDCD	
CSC[C@H](C)N1C(=O)CN(Cc2ccccc2O)C1=O	819169132	XDQIJESCEVMMDA-JTQLQIEISA-N	294.376	1.908	10	20	CDCD	
C[C@H](NC[C@H]1CNCCO1)c1cc(Cl)ccc1O	817982044	BFZTVXBQWXZLJL-GXSJLCMTSA-N	270.760	1.685	10	20	CDCD	
CCOC1(C(=O)NCc2ccc(O)cc2O)CCOCC1	823298602	GKHHKTVJMFRJGY-UHFFFAOYSA-N	295.335	1.300	10	20	CDCD	
COC(=O)N(C)CCNCc1ccc(N(C)C)cc1C	827377053	OHRRKUZONBXDJQ-UHFFFAOYSA-N	279.384	1.849	10	20	CDCD	
Oc1c(F)cc(Cl)cc1CN1CCc2nn[nH]c2C1	827884875	KGBPQKZIGYBPQO-UHFFFAOYSA-N	282.706	1.861	10	20	CDCD	
Nc1ccc(Cc2noc([C@@H]3CSCC(=O)N3)n2)cc1	904505446	WMOMTJUWEORGEC-JTQLQIEISA-N	290.348	1.147	10	20	CDCD	
COC[C@@H](NCc1ccc(N2CCCCC2)cc1)C(=O)O	901478079	NGXYTKUAFKYNRB-OAHLLOKOSA-N	292.379	1.866	10	20	CDCD	
COc1cccc(CN2C[C@@H](C(=O)O)[C@H](C3CC3)C2)c1O	904430713	UHXIOUNYWBWQIB-QWHCGFSZSA-N	291.347	1.943	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)O[C@H]1CCOC1	837587968	NGWLHYVKMUTHMJ-GQPNGRKGSA-N	250.250	1.443	10	20	CDCD	
O=C(O)C[C@H](NC(=O)c1cc(O)cs1)C1CC1	833198943	MYMYWPKOEWAHAC-QMMMGPOBSA-N	255.295	1.437	10	20	CDCD	
CCNC(=O)NC[C@@H](N)c1ccc(N(C)C)cc1	842785363	LMCNBXHGQXQJBB-GFCCVEGCSA-N	250.346	1.072	10	20	CDCD	
COC/C=C/C(=O)NCc1cc(Cl)ccc1O	846474020	QFZVIXJTTBLFML-NSCUHMNNSA-N	255.701	1.864	10	20	CDCD	
CCNCCCNC(=O)N(C)Cc1ccc(N(C)C)cc1	841918126	SGIZOFRQFVYEBG-UHFFFAOYSA-N	292.427	1.894	10	20	CDCD	
COCC1(CNCc2cccc(OC)c2O)CCNCC1	841068621	TURMCGBMOGYNLA-UHFFFAOYSA-N	294.395	1.507	10	20	CDCD	
COC(=O)[C@@H](CNC(=O)Nc1ccc(N)cc1)CC1CC1	846309921	HFWABRATYLRMTI-LLVKDONJSA-N	291.351	1.980	10	20	CDCD	
CN(C)c1ccc([C@H](N)CNC(=O)C(=O)C(C)(C)C)cc1	843298292	LXQWZDBWGMRCHE-CYBMUJFWSA-N	291.395	1.484	10	20	CDCD	
CCN(CC)C(=N)NCc1ccc(OC)cc1O	849024870	CXOJZLSHUGYFNU-UHFFFAOYSA-N	251.330	1.767	10	20	CDCD	
CC1(C)[C@H]2CN(C(=O)C(=O)Nc3ccc(N)cc3)C[C@H]21	841051879	SFMFYVAHCYOUCG-TXEJJXNPSA-N	273.336	1.322	10	20	CDCD	
NCC[C@H](NCc1cc(F)ccc1O)C(F)(F)F	841090907	QFTIONFVDIMVDT-JTQLQIEISA-N	266.238	1.901	10	20	CDCD	
CCCN1CC(=O)N[C@@H]1c1cc(Cl)cc([N+](=O)[O-])c1O	840821918	HXLXEMDRRIWTCK-LBPRGKRZSA-N	299.714	1.794	10	20	CDCD	
COCCN1C(=O)C2(CC2)N[C@@H]1c1ccc(N(C)C)cc1	840837178	GXBYKFWZOBAYGU-AWEZNQCLSA-N	289.379	1.362	10	20	CDCD	
Cn1ncnc1C(=O)NCc1c(O)ccc2c1CCCC2	853804810	VYYZPAPEQBSXKU-UHFFFAOYSA-N	286.335	1.330	10	20	CDCD	
Cc1ccc(C(=O)NCCC2CSC2)c(O)c1O	854978347	PKVLWRRKAMFINY-UHFFFAOYSA-N	267.350	1.889	10	20	CDCD	
CC(=O)N1CC[C@@H](N[C@@H]2CCc3cccc(O)c32)C1	857084552	VGIWAOUIJJWYHM-CHWSQXEVSA-N	260.337	1.590	10	20	CDCD	
Cc1cc(CNC(=O)N[C@H](C)c2ccccc2O)n[nH]1	868289505	FXIFNOZXXRKBDF-SNVBAGLBSA-N	274.324	1.984	10	20	CDCD	
C[C@H](NC[C@]1(O)CCN(C)C1)c1cc(F)cc(F)c1O	762784872	BEYUKHFKVFCBPG-LKFCYVNXSA-N	286.322	1.388	10	20	CDCD	
COc1cccc(O)c1CN1CCC(C2OCCO2)CC1	769301588	XGASBVMWVGDBMQ-UHFFFAOYSA-N	293.363	1.986	10	20	CDCD	
CC(C)Nc1ccccc1NCC1(CO)COC1	871846385	YXXBXXHNKDGZSI-UHFFFAOYSA-N	250.342	1.928	10	20	CDCD	
CCNC(=O)C(C)(C)CNCc1ccc(C)cc1O	877114760	AHFMIUAAPBGANI-UHFFFAOYSA-N	264.369	1.953	10	20	CDCD	
Cc1c(CC(=O)N(C)c2ccc(N)cc2)cnn1C	877074525	NLYJCOCMQBRUIV-UHFFFAOYSA-N	258.325	1.516	10	20	CDCD	
COc1cc(O)c(CN(C)Cc2cn[nH]c2)cc1OC	775699891	JIWYGNXDBUXLTH-UHFFFAOYSA-N	277.324	1.765	10	20	CDCD	
COc1ccc(CNCCNC(=O)C[C@@H](C)OC)cc1C	1124599683	DBYVJGDFTGNOBR-CYBMUJFWSA-N	294.395	1.634	10	20	CDCD	
COc1ccc(CN2C[C@H]3C[C@@]3(CO)C2)c(O)c1OC	893888649	LSKDXEBGZAGBDU-ABAIWWIYSA-N	279.336	1.224	10	20	CDCD	
COc1cc(C)cc(CN[C@H](C)CN2CCOCC2)c1O	894175541	BDYFLKSEXTVCMC-CYBMUJFWSA-N	294.395	1.520	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)NC1CCC1	788462797	NUWOYNWWBFWEAH-UHFFFAOYSA-N	290.363	1.800	10	20	CDCD	
C[C@H](NC(=O)N1C[C@H](N)C[C@H]1C)c1ccc(N(C)C)cc1	891812325	AFSZIWVVWJVFQJ-MBNYWOFBSA-N	290.411	1.945	10	20	CDCD	
COc1ccccc1CONC(=O)c1cccc(O)c1O	799096107	ZBZUFDGKTJYJLY-UHFFFAOYSA-N	289.287	1.968	10	20	CDCD	
C[C@@H](NC[C@H]1CCS(=O)(=O)C1)c1cc(F)ccc1O	94617782	LWHQWTDZQCJYOM-NXEZZACHSA-N	287.356	1.617	10	20	CDCD	
CC(C)(CO)CNC(=O)NCc1ccc(N)cc1	1337020056	XGONCRSNZNJEDL-UHFFFAOYSA-N	251.330	1.087	10	20	CDCD	
Nc1ccc(CNC(=O)N2CC[C@H]3NCC[C@H]3C2)cc1	1335736742	HRKORDGHSDIPFU-GXTWGEPZSA-N	274.368	1.162	10	20	CDCD	
CN(C)c1ccc(CN[C@H](C(=O)O)C2CCOCC2)cc1	1262157765	NPZREZLUSSFZCQ-HNNXBMFYSA-N	292.379	1.722	10	20	CDCD	
COC(=O)c1ccc(C(=O)NCc2ccc(O)c(O)c2)o1	1341947155	XIYFLOMHOQGSOM-UHFFFAOYSA-N	291.259	1.407	10	20	CDCD	
COc1cc(C)c(CNC[C@H](C)C(=O)O)c(O)c1	1604695362	PJUQHHDOFMHHGL-VIFPVBQESA-N	253.298	1.520	10	20	CDCD	
COc1cccc(O)c1CN1CCO[C@H](CC(=O)O)C1	1610356963	RXQPOGNTEMKGTR-SNVBAGLBSA-N	281.308	1.076	10	20	CDCD	
COc1ccc(CN2CCN[C@H](C)[C@H]2C)c(O)c1OC	1579214046	UVTAOTQQJRHBSD-GHMZBOCLSA-N	280.368	1.592	10	20	CDCD	
Nc1ccc(CC(=O)N2CC[C@H](c3ncccn3)C2)cc1	1580443156	TVVQIJNQIUCFIM-ZDUSSCGKSA-N	282.347	1.617	10	20	CDCD	
Nc1ccc(CNC(=O)c2ccc3nc[nH]c3n2)cc1	1580445838	YQBBYZUWDUFPGS-UHFFFAOYSA-N	267.292	1.470	10	20	CDCD	
COC(=O)c1cnc(S[C@@H](C(=O)O)C2CC2)s1	1593893166	FFACOZDQWMLXDV-SSDOTTSWSA-N	273.335	1.885	10	20	CDCD	
CO[C@H](CNCc1cc(Cl)cc(Cl)c1O)C(=O)O	1777147788	RHGWYKZKAAEROX-SECBINFHSA-N	294.134	1.888	10	20	CDCD	
Cc1nc(N(C)Cc2ccccc2O)ncc1C(=O)O	1777506511	LUTINPUWHUFAKA-UHFFFAOYSA-N	273.292	1.825	10	20	CDCD	
COc1cccc(Cn2c(=O)[nH]c3ccccc3c2=O)c1O	153357193	AATSSEYPDBHDMX-UHFFFAOYSA-N	298.298	1.452	10	20	CDCD	
C[C@H]1COCCN1c1ccc(/C=C\C(=O)O)cc1[N+](=O)[O-]	208758115	GFVFZGHNEHRZKI-ATPLWMGHSA-N	292.291	1.918	10	20	CDCD	
CC[C@@H](N)C(=O)N(CC)Cc1ccc(N(C)C)cc1	37807419	CQWPKGGYAGFUTN-CQSZACIVSA-N	263.385	1.838	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCC(F)(F)[C@H](CO)C1	403627075	YXTCKRYYIZOEQS-QMMMGPOBSA-N	287.262	1.188	10	20	CDCD	
CCCNC(=O)CSc1ncc(C(=O)O)s1	309289969	JAYHWZIIOKKDGM-UHFFFAOYSA-N	260.340	1.460	10	20	CDCD	
CS[C@H](CO)[C@H](C)NCc1cc(F)cc(F)c1O	708466701	ULWADCKMFUTUNN-WRWORJQWSA-N	277.336	1.872	10	20	CDCD	
CC(C)[C@H]1CN(C(=O)Cc2ccc(N)cc2)CCO1	708884653	ZKZNELROOVXPHZ-CQSZACIVSA-N	262.353	1.695	10	20	CDCD	
C[C@@H](NCc1ccccc1O)C(=O)NCc1ccco1	111399120	LAPXBNHPZAKGDB-LLVKDONJSA-N	274.320	1.780	10	20	CDCD	
CNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	73040800	IDAAYSGMFSHFHZ-UHFFFAOYSA-N	263.341	1.294	10	20	CDCD	
Cc1ccc(C(=O)N(CCO)CC(F)F)c(O)c1O	194393004	PMUUKYVGIIRUKA-UHFFFAOYSA-N	275.251	1.106	10	20	CDCD	
C[C@@H](O)[C@H]1CCCN(Cc2cc3c(cc2O)OCO3)C1	136827687	BSBHCBFVARJZNG-MNOVXSKESA-N	279.336	1.714	10	20	CDCD	
Cc1cc(O)c(CN2CCS(=O)(=O)C[C@@H](C)C2)cc1C	191380346	JPTQVXPTRORSDC-NSHDSACASA-N	297.420	1.876	10	20	CDCD	
COc1cc(O)c(CN[C@@H]2C(=O)NCC[C@@H]2C)cc1OC	195008133	FLIXLCBREGRFPI-XPTSAGLGSA-N	294.351	1.024	10	20	CDCD	
CO[C@H](C)CN1CCOc2cc(N(C)C)ccc21	182379235	FKNSSUAHGSKOEF-LLVKDONJSA-N	250.342	1.986	10	20	CDCD	
Cc1c(C(=O)NCc2ccc(N(C)C)c(F)c2)nnn1C	265924820	XRVJJSJZZYRYAH-UHFFFAOYSA-N	291.330	1.259	10	20	CDCD	
Nc1ccc(CCNC(=O)[C@@H]2C[C@H]2C2CCNCC2)cc1	368127037	WCZUECOBKFIJEG-JKSUJKDBSA-N	287.407	1.563	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)NCCC[C@@H](C)O)c1	279183666	VTHQYMSTJRVMKH-MNOVXSKESA-N	281.352	1.990	10	20	CDCD	
CC[C@@H](CNCc1cc([N+](=O)[O-])ccc1O)OC	289790595	LKXXRJNFVPEIFR-NSHDSACASA-N	254.286	1.815	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2cnn(CCF)c2)cc1	287289909	VYQCKFSTQAGKDP-UHFFFAOYSA-N	290.342	1.849	10	20	CDCD	
Cc1nccnc1CCNCc1cc([N+](=O)[O-])ccc1O	292976101	KUDSRHTUCQVNKA-UHFFFAOYSA-N	288.307	1.731	10	20	CDCD	
COC(=O)c1cnc(SCc2nonc2C)s1	295366938	SBXDDHQGKLCUOU-UHFFFAOYSA-N	271.323	1.913	10	20	CDCD	
CN(C)c1ccc(CNC(=O)COCc2ccccn2)cc1	805156042	FEDYTVYDBZVABI-UHFFFAOYSA-N	299.374	1.981	10	20	CDCD	
CC[C@H](NCCNCCOC)c1ccc(F)cc1O	817965268	SJLMIKPDUZRRCR-ZDUSSCGKSA-N	270.348	1.808	10	20	CDCD	
CC[C@@H](C)NC(=O)[C@H](C)NC(=O)NCc1ccccc1O	726249285	UMGPWJMLBKNJAQ-MNOVXSKESA-N	293.367	1.495	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)Nc1cnsn1	821429104	HOODZJWEOMGQED-UHFFFAOYSA-N	264.310	1.908	10	20	CDCD	
Cn1nc(C2CC2)cc1C(=O)NCc1ccc(O)cc1O	822971261	BGKGVJNTIKKCBN-UHFFFAOYSA-N	287.319	1.639	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CCN[C@H]1C	829764741	VUWYXIMYVPBQIL-SWLSCSKDSA-N	275.396	1.675	10	20	CDCD	
Cc1ccc(C(=O)OCC(=O)N(C)C2CC2)c(O)c1O	727004775	TUKSDOUCHZAFMS-UHFFFAOYSA-N	279.292	1.184	10	20	CDCD	
CC(C)n1ccc(CNC(=O)c2c(F)ccc(O)c2O)n1	825972868	FPWHLVIOBQGCKR-UHFFFAOYSA-N	293.298	1.944	10	20	CDCD	
O=C(NCc1c(O)ccc2c1CCCC2)[C@H]1C[C@H]1C(=O)O	833178313	DYLDXXPDKQCDJI-NWDGAFQWSA-N	289.331	1.608	10	20	CDCD	
C[C@@]1(CNCc2cc([N+](=O)[O-])ccc2O)CCOC1	733327946	MLRFFNIMEAMVOQ-ZDUSSCGKSA-N	266.297	1.817	10	20	CDCD	
CC(C)N1CC[C@@H](NC(=O)c2cc(O)cs2)C1=O	734176682	HGGJZDJTUDBFPH-SECBINFHSA-N	268.338	1.193	10	20	CDCD	
COc1ccc(N(CCOCCO)CC2CC2)cc1	831587532	DFEWHFUOEHBTFG-UHFFFAOYSA-N	265.353	1.921	10	20	CDCD	
COCC(COC)N[C@H](C)c1cc([N+](=O)[O-])ccc1O	834888322	GDZAXIBCDOAIMV-SECBINFHSA-N	284.312	1.612	10	20	CDCD	
COC[C@@]1(CNCc2ccccc2O)CCCN1	841067915	QOJZIFJOYXMYAY-AWEZNQCLSA-N	250.342	1.250	10	20	CDCD	
COc1ccc(N(C)CCN(C)Cc2cnn[nH]2)cc1	844400441	BXLHFNKKWQPVQQ-UHFFFAOYSA-N	275.356	1.382	10	20	CDCD	
O=C(O)CN(Cc1ccccc1O)C(=O)[C@H]1CCCCO1	911484653	DZIIMUKLFMWESD-CYBMUJFWSA-N	293.319	1.375	10	20	CDCD	
Nc1ccc(Cc2noc([C@@H]3CCC(=O)NC3)n2)cc1	843158986	JVWVLSCQRBSQPS-SNVBAGLBSA-N	272.308	1.236	10	20	CDCD	
CCN1CC[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1=O	849744646	DXFUOLQBJYPXJD-BPJJOFIESA-N	291.303	1.275	10	20	CDCD	
CO[C@@H]1CCCN(C(=O)NCCc2ccc(N)cc2)C1	841956276	AKFFVEYFTGBCCQ-CQSZACIVSA-N	277.368	1.632	10	20	CDCD	
CN1CCN(c2ccc(CNCc3ccno3)cc2)CC1	843403328	XSYIIZRYDBVHPL-UHFFFAOYSA-N	286.379	1.716	10	20	CDCD	
CCc1cccc(CNC[C@H](CO)[C@H]2CCOC2)c1O	848907598	FYQDRVDFGFKEGJ-LSDHHAIUSA-N	279.380	1.689	10	20	CDCD	
Nc1ccc(CCNC(=O)NC[C@@H]2CCC=CO2)cc1	841886045	XACFVWVRSQNIMW-AWEZNQCLSA-N	275.352	1.803	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CCN[C@H](C)[C@H]2C)c1O	843378042	YGVLLOKNUTYAEP-NXEZZACHSA-N	280.343	1.916	10	20	CDCD	
Cc1c(C(=O)NCc2cc(Cl)ccc2O)nnn1C	846477867	WAKRNKVUMHWHDQ-UHFFFAOYSA-N	280.715	1.413	10	20	CDCD	
C[C@H](NC(=O)NC[C@H](N)C1CC1)c1ccc(N(C)C)cc1	841881716	CNUXNOAJYXLUBP-NHYWBVRUSA-N	290.411	1.850	10	20	CDCD	
C[C@@H]1COCCN1CCNC(=O)Nc1ccc(N)cc1	841300782	UUOOAYSIHKHNEW-LLVKDONJSA-N	278.356	1.111	10	20	CDCD	
CCCN1CC[C@H](NC(=O)NCc2cc(C)ccc2O)C1	858618464	CSVAMDYSPNGZNB-AWEZNQCLSA-N	291.395	1.984	10	20	CDCD	
Cc1ccc(C(=O)O[C@H](C)C(=O)N(C)C)c(O)c1O	750620220	WTVDCMLQWMOWJR-MRVPVSSYSA-N	267.281	1.040	10	20	CDCD	
CCOC(=O)[C@@H]1C[C@H]1C(=O)N(C)Cc1ccccc1O	934705357	XLVUZRXJCWEXMY-VXGBXAGGSA-N	277.320	1.550	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)C[C@@H](C)OC	935947364	WDSCLAFNVJRWJD-SNVBAGLBSA-N	272.341	1.919	10	20	CDCD	
CNC(=O)[C@H]1CCC[C@@H]1NCc1cccc(OC)c1O	765797248	RBYQHCGCDHXZTD-RYUDHWBXSA-N	278.352	1.405	10	20	CDCD	
COC(=O)CN(CC(C)=O)Cc1cc(Cl)ccc1O	878243108	UMUNLIGBGMHYEH-UHFFFAOYSA-N	285.727	1.610	10	20	CDCD	
CC[C@@H](CO)NCc1ccc(N2CCC(O)CC2)cc1	876906046	OXWROFSPZORXSO-AWEZNQCLSA-N	278.396	1.508	10	20	CDCD	
Cc1ccc(C(=O)N2CC[C@H](CN(C)C)C2)c(O)c1O	780938451	LXQNXKKSXBYZFH-LLVKDONJSA-N	278.352	1.430	10	20	CDCD	
COc1ccc(CN2C[C@H](C)[C@](C)(CO)C2)c(O)c1OC	895458329	XRBZUQSHFAUOLP-ZBEGNZNMSA-N	295.379	1.860	10	20	CDCD	
COc1cc(C)cc(CN2C[C@@H]3C[C@@]3(CO)C2)c1O	894533414	IRGIQDVGVLURSM-WFASDCNBSA-N	263.337	1.523	10	20	CDCD	
O=C(N[C@@H]1CCN(CC2CC2)C1)c1cccc(O)c1O	790667419	AEPYKXNHMNKAQI-LLVKDONJSA-N	276.336	1.312	10	20	CDCD	
CC(=O)c1cc(Cl)cc(CN2CCOC[C@H]2CO)c1O	168287797	CJSYKFNLFGHFPM-GFCCVEGCSA-N	299.754	1.441	10	20	CDCD	
CN(CC(=O)NC[C@H]1CCCO1)c1ccc(N)cc1	702105470	ZRUWPACZECIZPN-CYBMUJFWSA-N	263.341	1.000	10	20	CDCD	
CCc1cccc(CN(C)[C@@H]2CCS(=O)(=O)C2)c1O	692091920	PRISCDHCCIPLNM-CYBMUJFWSA-N	283.393	1.574	10	20	CDCD	
COC[C@@H](NC(=O)NCc1ccc(N)cc1)[C@@H]1CCCO1	1346429702	QYOULVJLVZDNLH-KGLIPLIRSA-N	293.367	1.262	10	20	CDCD	
C[C@@H](Cc1cnc[nH]1)C(=O)N(C)c1ccc(N)cc1	1341477329	MALGMIJQRQGBBB-JTQLQIEISA-N	258.325	1.834	10	20	CDCD	
C=CC(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1	1346091563	XPBOEHIPBSXZIE-LBPRGKRZSA-N	260.337	1.824	10	20	CDCD	
COc1cccc(CN[C@@H]2CC[C@H](C(=O)O)C2)c1O	1349314112	NDZRWIQDUVAWND-GXSJLCMTSA-N	265.309	1.744	10	20	CDCD	
CC1(CO)CN(c2ccc(/C=C\C(=O)O)cc2[N+](=O)[O-])C1	1604582919	MZYYXWQLQLSMAJ-HYXAFXHYSA-N	292.291	1.511	10	20	CDCD	
C[C@H](NC(=O)c1cc(-c2nn[nH]n2)c[nH]1)c1ccccc1O	1605439620	QXQVVCGDRPUFAD-QMMMGPOBSA-N	298.306	1.391	10	20	CDCD	
O=C(O)CCCOC(=O)/C=C\c1ccc(O)c(O)c1	1595052265	LUMDWYLEVNZYDX-XQRVVYSFSA-N	266.249	1.519	10	20	CDCD	
CCn1cc(CNCc2ccc(C(=O)O)cc2O)c(C)n1	1777006496	BFTNQZHZLNCOFS-UHFFFAOYSA-N	289.335	1.905	10	20	CDCD	
COc1cccc(CNS(=O)(=O)c2ccccc2)c1O	161099275	HHUAPRXXTMNBBH-UHFFFAOYSA-N	293.344	1.879	10	20	CDCD	
CC[C@H](C(=O)N[C@@H](C)c1cc(OC)ccc1O)N(C)C	151545441	VVPBQCRJXXCFNT-GXFFZTMASA-N	280.368	1.918	10	20	CDCD	
CCC(F)(F)C(=O)NCCc1ccc(O)c(O)c1	830531460	IOMOYDIZLVRLOT-UHFFFAOYSA-N	259.252	1.802	10	20	CDCD	
COC[C@@H](CCO)NCc1ccc(N2CCCC2)cc1	219146535	WLJKGYQANVHYNB-OAHLLOKOSA-N	278.396	1.774	10	20	CDCD	
COCCOCCN(C)Cc1cc(OC)ccc1O	290176650	NJPLMTRRDDSIEE-UHFFFAOYSA-N	269.341	1.496	10	20	CDCD	
O=C1CCCN1CCNCc1cc(F)ccc1O	405485353	LNHUIXWNGGRWQV-UHFFFAOYSA-N	252.289	1.243	10	20	CDCD	
CN(C(=O)[C@@H]1CC(=O)N(C2CC2)C1)c1ccc(N)cc1	702053029	FNPKMLGKIQCNFB-SNVBAGLBSA-N	273.336	1.243	10	20	CDCD	
CCCN1CC[C@H](NC(=O)Cc2ccc(N)cc2)C1	389185845	RYERLLFAMDLVOL-AWEZNQCLSA-N	261.369	1.412	10	20	CDCD	
Cc1cc(O)c(CN2CCS(=O)(=O)CC2)cc1C	103265438	RFEVHGAGJWMJDP-UHFFFAOYSA-N	269.366	1.239	10	20	CDCD	
CCNC(=O)CCCC(=O)NCc1ccc(N(C)C)cc1	104018735	DEHVOUTZJIKGFO-UHFFFAOYSA-N	291.395	1.675	10	20	CDCD	
CCN(CC)c1ccc(CNCCN2CCNCC2)cc1	106959052	RXRIUCOQFZSMQH-UHFFFAOYSA-N	290.455	1.528	10	20	CDCD	
COCCS(=O)(=O)NCCCSc1nccs1	117365129	NWNPYYLANDFKLT-UHFFFAOYSA-N	296.439	1.191	10	20	CDCD	
C[C@H]1NC(=S)N(Cc2ccc(N3CC=CC3)cc2)C1=O	172686172	MOICXOJCKAFTAN-LLVKDONJSA-N	287.388	1.668	10	20	CDCD	
CN(Cc1nnc[nH]1)Cc1cc(Br)ccc1O	179789923	IZHNBQBOYWJFGM-UHFFFAOYSA-N	297.156	1.905	10	20	CDCD	
C[C@@H](CS(C)(=O)=O)NCCCSc1nccs1	182992834	YYMVMVSNLNJHSO-VIFPVBQESA-N	294.467	1.648	10	20	CDCD	
CC(=O)C[C@H](C)NC(=O)/C=C/c1ccc(O)c(O)c1	181246502	HLYSXTRQONHJCJ-DNQSNQRASA-N	263.293	1.595	10	20	CDCD	
COCC[C@@](C)(O)CN[C@H](C)c1ccccc1O	183516242	ABVFVJWWPODVMB-BXUZGUMPSA-N	253.342	1.830	10	20	CDCD	
CC(=O)N1CCN(Cc2cc(Cl)ccc2O)CC1	131776360	NLINKKBGBRJMNG-UHFFFAOYSA-N	268.744	1.710	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cnn(C)c1	190925179	RGAQMBJLDRJFOW-SECBINFHSA-N	290.323	1.584	10	20	CDCD	
COc1cc(Cl)cc(CN2CCN[C@H](C)C2)c1O	228562417	XXXTWVRODZDTDM-SECBINFHSA-N	270.760	1.848	10	20	CDCD	
Nc1ccc(CC(=O)N2CCC[C@H]2CN2CCCC2)cc1	237883196	WMCPDIKMCJFRLB-INIZCTEOSA-N	287.407	1.898	10	20	CDCD	
COc1ccc(O)c(CNC[C@@](C)(O)C(C)C)c1	182222200	FLNRKZNMEPPXHV-CQSZACIVSA-N	253.342	1.897	10	20	CDCD	
COc1cccc(CNC(=O)NC[C@H]2CCOC2)c1O	266780306	RLUXWJNLMSFAIQ-SNVBAGLBSA-N	280.324	1.237	10	20	CDCD	
C[C@H](N)[C@H](C)C(=O)NCc1ccc(N2CCOCC2)cc1	277031993	IYBMWSKEYBBIDN-STQMWFEESA-N	291.395	1.123	10	20	CDCD	
C[C@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1O)c1nncn1C	273612480	WLNLURZVVYJSKD-BDAKNGLRSA-N	291.311	1.841	10	20	CDCD	
Cc1nc2n(n1)CCN(Cc1c(O)cccc1Cl)C2	271195929	REWNNDALJUWFSK-UHFFFAOYSA-N	278.743	1.961	10	20	CDCD	
COc1cc(N2C[C@@H](O)C(C)(C)C2)c([N+](=O)[O-])cc1OC	279468311	NEDPOFWNSXZQRA-CYBMUJFWSA-N	296.323	1.819	10	20	CDCD	
CO[C@H]1CN(Cc2ccc(N(C)C)c(C)c2)C[C@H]1OC	294579459	MPUQZNBCGMPKTR-IYBDPMFKSA-N	278.396	1.907	10	20	CDCD	
Cc1cccc(CNC[C@H]2CC[C@@H](CO)O2)c1O	294063187	XWVAUCFCNBARPG-OLZOCXBDSA-N	251.326	1.330	10	20	CDCD	
COc1ccc(O)c(CNC(=O)NOC/C=C/Cl)c1	812043789	PYZSZAYTMQIELY-GORDUTHDSA-N	286.715	1.884	10	20	CDCD	
C[C@H](NC[C@@H](N)c1ccc(N(C)C)cc1)[C@H]1CCOC1	817939563	COVDUSDHLBEFNM-DUVNUKRYSA-N	277.412	1.767	10	20	CDCD	
Cc1cc(O)c(CNC[C@H]2CCCN2CCCO)cc1C	824559599	WETWODYWGKDWFL-MRXNPFEDSA-N	292.423	1.945	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@]1(C)CCNC1=O	820041685	QFGDRQIXXXUQLC-MRXNPFEDSA-N	289.379	1.203	10	20	CDCD	
COc1ccc(O)c(CNC(=O)C[C@H]2CCC(=O)N2C)c1	830544044	KHUGFLXGWOQXGI-LLVKDONJSA-N	292.335	1.028	10	20	CDCD	
CN1CC[C@H](C(=O)NCCCSc2nccs2)C1	733975166	YISPUGUYDVMGRX-JTQLQIEISA-N	285.438	1.693	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@H](CF)C1	916113360	LMNPZXVFOAFZHK-JRBALWBOSA-N	265.284	1.929	10	20	CDCD	
C[C@@](O)(C(=O)NCc1cc(Cl)ccc1O)C1CC1	846477605	TYPQSBDZFHNBGL-ZDUSSCGKSA-N	269.728	1.823	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)c1cn2c(n1)CCCC2	910946981	XZGBLYSQFKIMFB-UHFFFAOYSA-N	287.319	1.561	10	20	CDCD	
C[C@@H](C(=O)O)C(=O)NCCCSc1nccs1	842648690	YFHWRKWDFMKNAO-SSDOTTSWSA-N	274.367	1.462	10	20	CDCD	
NCc1ccc2c(c1)CCCN2C[C@@H]1CCCNC1	843057960	IVDKBLBXAMSLMS-CQSZACIVSA-N	259.397	1.898	10	20	CDCD	
CC[C@@H](N)CNCc1cc(Br)ccc1O	841069651	CESUVLIPKUMSLM-SNVBAGLBSA-N	273.174	1.982	10	20	CDCD	
COCc1nn(C)cc1C(=O)N(C)Cc1ccccc1O	857466796	HPEUIQBWYDOACY-UHFFFAOYSA-N	289.335	1.544	10	20	CDCD	
Cc1ccc(C(=O)NCc2cncn2C)c(O)c1O	752953767	PJFOUKPEOCXZPD-UHFFFAOYSA-N	261.281	1.070	10	20	CDCD	
CN(C)c1cc(F)c(CN2CCC[C@@H]2C(N)=O)cc1F	862387736	PHQHLSZLFYZMNK-GFCCVEGCSA-N	283.322	1.481	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@H]2CCc3ncncc3C2)c1	862754538	FSMFDAHGVVZAJY-LBPRGKRZSA-N	297.358	1.912	10	20	CDCD	
CCCN(CCO)Cc1ccc(OCC)cc1O	768175541	SYDAPZNPMVPNBZ-UHFFFAOYSA-N	253.342	1.995	10	20	CDCD	
CN(C)c1cc(F)c([C@H]2NC(=O)CN2C)cc1F	864373199	FJZPMQUFHMYKJS-LBPRGKRZSA-N	255.268	1.091	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)C[C@@H]2CCC(=O)NC2)c1	862755506	UOOLQQISSOIBPR-NSHDSACASA-N	276.336	1.233	10	20	CDCD	
CCN(CCN)Cc1ccc(N2CCOCC2)cc1	863644727	HVXVTIXSPXMJPU-UHFFFAOYSA-N	263.385	1.304	10	20	CDCD	
CCOc1ccc(CNCC(F)(F)CO)c(O)c1	767194832	NVUWVNFRHDYITG-UHFFFAOYSA-N	261.268	1.508	10	20	CDCD	
CNC(=O)[C@@H]1CCC[C@H]1NCc1c(C)cccc1O	877119153	BSHVCVTZCQJGGI-DGCLKSJQSA-N	262.353	1.705	10	20	CDCD	
COCCOC1CN(Cc2cc(Cl)ccc2O)C1	779432704	ZZRODQPMDVNBMZ-UHFFFAOYSA-N	271.744	1.893	10	20	CDCD	
CN1CC[C@H](NCc2ccc(N3CCC(O)CC3)cc2)C1	877019102	GOARLHKLTWSWGJ-HNNXBMFYSA-N	289.423	1.441	10	20	CDCD	
C[C@H](NCCOCCN(C)C)c1cc(F)cc(F)c1O	774383622	ZDFMMZAALNBQAL-JTQLQIEISA-N	288.338	1.899	10	20	CDCD	
C[C@@H](C(=O)NCCc1ccc(O)c(O)c1)n1ccnc1	1116430567	DSHOHVJBJFUJLE-JTQLQIEISA-N	275.308	1.214	10	20	CDCD	
COCc1cc(CNCc2cc(OC)ccc2O)no1	883000182	QJHNBFUONTWBKP-UHFFFAOYSA-N	278.308	1.825	10	20	CDCD	
C[C@@H]1C[C@H](N)CN1C(=O)NCc1ccc(N(C)C)c(F)c1	891457173	XNAOPSNDNNJFCL-PWSUYJOCSA-N	294.374	1.523	10	20	CDCD	
COC/C=C/C(=O)NCc1ccc2c(c1)CCCN2C	791341739	VBBUCCGYRYNKGE-GQCTYLIASA-N	274.364	1.888	10	20	CDCD	
COc1ccc(CN[C@H](CO)C(C)(C)C)c(O)c1OC	893549074	LGVUNQCZNSNBDR-GFCCVEGCSA-N	283.368	1.906	10	20	CDCD	
COc1cccc(O)c1CN1C[C@H](O)C(C)(C)C1	790939072	ZLYQDEAXDMVOQU-ZDUSSCGKSA-N	251.326	1.604	10	20	CDCD	
CCOCC1(C(=O)OCC(=O)c2ccc(O)c(O)c2)CC1	799558474	JZFJBEMZQLUXOF-UHFFFAOYSA-N	294.303	1.640	10	20	CDCD	
O=S(=O)(NCc1ccccc1O)c1ccoc1	795851209	QEOWLBLQPOSDQG-UHFFFAOYSA-N	253.279	1.464	10	20	CDCD	
COC(=O)C1(CNCc2ccc3c(c2)CCO3)CC1	188678516	LYQGTFLPJVLOQU-UHFFFAOYSA-N	261.321	1.664	10	20	CDCD	
C[C@H]1CCN(C(=O)C(=O)NCCc2ccc(N)cc2)[C@H]1C	1325428761	TWHYPUYXSNCTDV-RYUDHWBXSA-N	289.379	1.184	10	20	CDCD	
COc1cccc(O)c1CNC[C@@H]1CC[C@H](O)C1	788971984	STJDNAGWNGKDCW-MNOVXSKESA-N	251.326	1.651	10	20	CDCD	
C[C@H](N)[C@H]1CCCCN1C(=O)NCc1ccc(N)cc1	1337020189	ZPHBSQIICFECHO-SMDDNHRTSA-N	276.384	1.680	10	20	CDCD	
C=CC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1	1346091560	XPBOEHIPBSXZIE-GFCCVEGCSA-N	260.337	1.824	10	20	CDCD	
Cc1cc(C(=O)N2CC(C(=O)O)C2)c(C)n1-c1ccccn1	1349975579	XIIDEZGRQSTKOL-UHFFFAOYSA-N	299.330	1.646	10	20	CDCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2NC[C@H]1COCCN1	1351678887	HYPWVRQXQPSKBH-FRRDWIJNSA-N	276.380	1.827	10	20	CDCD	
O=C(CSc1ncc(C(=O)O)s1)Nc1ncc[nH]1	1608355754	UDEZAKWGBCAKIX-UHFFFAOYSA-N	284.322	1.295	10	20	CDCD	
COc1cc(O)c(CN2CC[C@@H](C(=O)O)[C@H]2C)cc1OC	1610304067	MORPNDLTVBTTAJ-MWLCHTKSSA-N	295.335	1.704	10	20	CDCD	
CN(C)c1cc(F)c(CNCC(C)(C)N)cc1F	1578423024	MYUSDYAOIHEOKM-UHFFFAOYSA-N	257.328	1.858	10	20	CDCD	
C[C@@](CCF)(NCc1cccc(F)c1O)C(=O)O	1592507021	QFEMIBORUKVTSM-LBPRGKRZSA-N	259.252	1.824	10	20	CDCD	
Cc1ccc(C(=O)N2C[C@@H](C)C[C@H](C(=O)O)C2)c(O)c1O	1594344731	NKUKUVCGHDRHDF-WPRPVWTQSA-N	293.319	1.589	10	20	CDCD	
CCN(C)c1ccc(CN[C@@H](CC(=O)O)C(=O)O)c(C)c1	1776856527	LCKDMZYQPZGIIU-ZDUSSCGKSA-N	294.351	1.469	10	20	CDCD	
CCn1ncc(CN(C)Cc2ccc(N(C)C)cc2)n1	838781494	ZNZCORQUZRGSIC-UHFFFAOYSA-N	273.384	1.996	10	20	CDCD	
CCCN1CCN(Cc2cccc(OC)c2O)CC1	131695737	ANIOLMUVHRRKEF-UHFFFAOYSA-N	264.369	1.928	10	20	CDCD	
CNCC1CCN(Cc2cc(OC)ccc2O)CC1	63159084	NYRWSAHWQSMUTG-UHFFFAOYSA-N	264.369	1.832	10	20	CDCD	
CC[C@@H](N[C@@H]1CCN(S(C)(=O)=O)C1)c1ccccc1O	400170747	KPAYRHARRNQMMV-DGCLKSJQSA-N	298.408	1.467	10	20	CDCD	
CCS(=O)(=O)CCN[C@@H]1CCc2cccc(O)c21	386439731	CEAHYDNEJPGHLJ-LLVKDONJSA-N	269.366	1.404	10	20	CDCD	
CCC1(CNCc2cc(OC)ccc2O)COC1	393962958	IPVRVTWMKUAVCY-UHFFFAOYSA-N	251.326	1.917	10	20	CDCD	
CC(C)[S@@](C)(=O)=NC(=O)c1cccc(O)c1O	926058809	NAIJFCWAFGFUMG-QGZVFWFLSA-N	257.311	1.744	10	20	CDCD	
Oc1cc(Br)ccc1CN[C@H]1C[C@H](O)C1	827831934	FPOLDNZZEPQRHO-MGCOHNPYSA-N	272.142	1.768	10	20	CDCD	
CCn1c(C)nnc1SCC(=O)c1ccc(O)c(O)c1	102207684	GDEASPOKOCUHCM-UHFFFAOYSA-N	293.348	1.993	10	20	CDCD	
COCCCNC(=O)CN(C)c1ccc(OC)c(OC)c1	64517718	KESOXAWBZMYAPH-UHFFFAOYSA-N	296.367	1.293	10	20	CDCD	
CCOc1ncccc1CNC(=O)c1cccc(O)c1O	186885014	IRCWNPQCKKXZGG-UHFFFAOYSA-N	288.303	1.822	10	20	CDCD	
COCC[C@H](C)NC(=O)NCc1ccccc1O	263763822	RUTTUFYNFPFCAE-JTQLQIEISA-N	252.314	1.616	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNC[C@H]2CCCOC2)c1O	278629493	GQLWXFBCZAELTP-SNVBAGLBSA-N	296.323	1.825	10	20	CDCD	
C[C@@H](N[C@H](C)c1nncn1C)c1cc([N+](=O)[O-])ccc1O	273612483	WLNLURZVVYJSKD-RKDXNWHRSA-N	291.311	1.841	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@H]2C[C@H](O)C2(C)C)c1	275269826	BRHQNTHXZWWNDF-HERUPUMHSA-N	293.363	1.989	10	20	CDCD	
COc1ccc(CNCc2cc(C(N)=O)no2)cc1C	273397798	LJXCNNCQSCDDNH-UHFFFAOYSA-N	275.308	1.380	10	20	CDCD	
CCCOc1ccc(CN[C@@H](C(=O)OC)[C@H](C)O)c(O)c1	276510759	TWHKIVLEMFHNMU-IINYFYTJSA-N	297.351	1.193	10	20	CDCD	
Cc1ccc([C@@H](C)NC[C@@H](O)c2cnn(C)c2)c(O)c1	273467201	FAVLWSRJDZVKBW-IAQYHMDHSA-N	275.352	1.818	10	20	CDCD	
CCN(Cc1cnn(C)n1)c1ccc(OC)c(OC)c1	289357632	MIVLHZVJZASXMB-UHFFFAOYSA-N	276.340	1.859	10	20	CDCD	
CC[C@H](C)[C@H](NC(C)=O)C(=O)N(C)Cc1ccccc1O	285631055	KIEKGIFEXRFENH-NHYWBVRUSA-N	292.379	1.901	10	20	CDCD	
COC(=O)CCCNC(=O)NCc1ccccc1O	299529839	SBDVLSXCWFKSDI-UHFFFAOYSA-N	266.297	1.145	10	20	CDCD	
COc1cc(Cl)cc(CN2C[C@H]3C[C@H]2C(=O)O3)c1O	294699049	CXGMWMWMRUHMIB-ZJUUUORDSA-N	283.711	1.554	10	20	CDCD	
CCOC(=O)NCC(=O)N[C@H](C)c1cc(OC)ccc1O	728978099	MFMYLTYRFKIMCM-SECBINFHSA-N	296.323	1.324	10	20	CDCD	
CCOc1ccc(O)c(CNC(COC)COC)c1	824921395	KWTWGPRBIMCEPA-UHFFFAOYSA-N	269.341	1.542	10	20	CDCD	
COC[C@@H]1CN(C(=O)c2c(F)ccc(O)c2O)C[C@@H](C)O1	829868825	TYLXTBZMCVAUTB-BDAKNGLRSA-N	299.298	1.113	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](COC)OC	824233947	AVMFUXNEAZAUMV-OAHLLOKOSA-N	294.395	1.763	10	20	CDCD	
COc1cc(O)ccc1NS(=O)(=O)N1CC[C@@H](C)C1	901704718	VDARYCHTMYVRJL-SECBINFHSA-N	286.353	1.399	10	20	CDCD	
CN1CC[C@@H](N(C)Cc2c(O)ccc3ccncc23)C1=O	738271912	GWEWDYSNNPMEBQ-CQSZACIVSA-N	285.347	1.603	10	20	CDCD	
COc1ccc(CNC(=O)[C@H](N)CC(C)C)c(O)c1	832178398	QGIXSALHEKBMSC-GFCCVEGCSA-N	266.341	1.390	10	20	CDCD	
CC1(C)C[C@](C)(NC(=O)c2cccc(O)c2O)C(=O)O1	848146494	BYAVWUFWRUVPAR-AWEZNQCLSA-N	279.292	1.312	10	20	CDCD	
CC(C)(O)CN(C(=O)NCCc1ccc(N)cc1)C1CC1	841957800	DPFXWEMGWFHBKV-UHFFFAOYSA-N	291.395	1.756	10	20	CDCD	
C[C@H](CCCN)NC(=O)NCc1ccc(N(C)C)cc1	841654046	MDXGODCZRHFIHW-GFCCVEGCSA-N	278.400	1.679	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCNC1	841938677	GUBHSRKYYQBXCO-CYBMUJFWSA-N	277.368	1.676	10	20	CDCD	
C[C@@H]1CN(Cc2ccc(N(C)C)cc2)C[C@H](C(=O)O)O1	846292189	XOFHHPAZYMHKIU-BXUZGUMPSA-N	278.352	1.427	10	20	CDCD	
OC[C@@H](NCc1cccc(Cl)c1O)[C@@H]1CCCOC1	840964636	ZLOMOSVIHLIYSI-DGCLKSJQSA-N	285.771	1.923	10	20	CDCD	
CCc1cccc(CNCC2(CS(C)(=O)=O)CC2)c1O	848897382	HVQFPIUQSDWXGW-UHFFFAOYSA-N	297.420	1.869	10	20	CDCD	
CN(C[C@@H](O)COC1CCOCC1)c1ccc(N)cc1	923400786	OHWPVGJTDCFJPK-CQSZACIVSA-N	280.368	1.262	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)NCc2ncccn2)c1	850553423	YQKLOQXPTGERTF-SNVBAGLBSA-N	287.319	1.820	10	20	CDCD	
COC[C@@H](C)NC(=O)NCc1cc(C)ccc1O	858108866	MGWNKUKXCXOENH-SNVBAGLBSA-N	252.314	1.535	10	20	CDCD	
Cc1noc(C(=O)NCc2ccc(N(C)C)cc2C)n1	865936901	RZLINSHSNUCCHI-UHFFFAOYSA-N	274.324	1.682	10	20	CDCD	
CC[C@H](C[C@@H](C)CO)NC(=O)c1cc(O)cs1	765310751	MIHCROSPRLLZFB-RKDXNWHRSA-N	257.355	1.981	10	20	CDCD	
Cc1ccc(C(=O)OC[C@H]2CCCOC2)c(O)c1O	760771053	LWQZWHQDOFSHMO-JTQLQIEISA-N	266.293	1.990	10	20	CDCD	
Cc1cccc(CN(C)[C@@]2(CO)CCOC2)c1O	862427384	XDYRPSSRWKWBPU-CQSZACIVSA-N	251.326	1.284	10	20	CDCD	
Cc1cccc(O)c1CNCCCN1CCOCC1	876886037	QSQKLNCIBILUHC-UHFFFAOYSA-N	264.369	1.513	10	20	CDCD	
CCOC(=O)C(C)(C)C(=O)NCc1cc(C)ccc1O	862757924	INNCZQLIYNCUJT-UHFFFAOYSA-N	279.336	1.906	10	20	CDCD	
CN(C)[S@](C)(=O)=NC(=O)CSc1nccs1	865353020	VQUHCPJIDLGFPY-MRXNPFEDSA-N	279.412	1.336	10	20	CDCD	
CCO[C@@H]1C[C@H](NCc2c(C)cccc2O)[C@H]1OC	877352252	WRKSJOUPNHCOLK-NWANDNLSSA-N	265.353	1.983	10	20	CDCD	
Cc1cc(O)c(CN2CCSC[C@H]2CO)cc1C	877780299	MFCKEJYQOBQIBF-CYBMUJFWSA-N	267.394	1.919	10	20	CDCD	
CCN(CCO)CCNCc1c(C)cccc1O	877398478	FVIUIYIILPAFDV-UHFFFAOYSA-N	252.358	1.104	10	20	CDCD	
CN(C)C(=O)CN(Cc1ccc(N)cc1)CC(F)(F)F	1120371399	XWSQIWPZSGWNDB-UHFFFAOYSA-N	289.301	1.721	10	20	CDCD	
CCNS(=O)(=O)N[C@H](C)c1ccc(N(C)C)cc1	773088727	OFWMPZWCJCLMJH-SNVBAGLBSA-N	271.386	1.258	10	20	CDCD	
Cc1ccc(CN2CCOC[C@@]23CCOC3)c(O)c1	877499714	UMMXSAFVWIGPQI-HNNXBMFYSA-N	263.337	1.692	10	20	CDCD	
C[C@H](NC(=O)c1nccnc1N)c1ccc(N(C)C)cc1	775402149	BSBLGQRYQQMQNW-JTQLQIEISA-N	285.351	1.616	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N1CC(n2ccnc2)C1	779519437	DPKKBZWYGYVHFZ-RQOWECAXSA-N	285.303	1.391	10	20	CDCD	
Cc1ccc(C(=O)N(C)c2cnn(C)c2)c(O)c1O	780948374	DTACZSWNFRXXID-UHFFFAOYSA-N	261.281	1.416	10	20	CDCD	
CCOc1ccc(CN2C[C@H](O)C[C@@H]2C)c(O)c1	788270365	RHNFAEMHKXRDPA-CMPLNLGQSA-N	251.326	1.746	10	20	CDCD	
C[C@@H]1OCC[C@H]1Cn1cc(COc2ccc(N)cc2)nn1	881366310	CGLUYFNAQWQQAE-RYUDHWBXSA-N	288.351	1.864	10	20	CDCD	
COc1cc(C)cc(CNCCSCCCO)c1O	894234010	CFOOGKJZPSIOBT-UHFFFAOYSA-N	285.409	1.914	10	20	CDCD	
CONC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	894278958	ZRQFEINWTWZBLL-CYBMUJFWSA-N	280.372	1.216	10	20	CDCD	
COc1ccc(CNCC2=CCN(C)CC2)c(O)c1OC	893304651	NXHPFYJLIBFUGH-UHFFFAOYSA-N	292.379	1.761	10	20	CDCD	
CC[C@@H](C(=O)NCc1ccccc1O)C(=O)OC	790794164	MJDXANVHXWBGRB-JTQLQIEISA-N	251.282	1.208	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)C(=O)NC1CCCC1	1321538164	HEXBMRSFKIQZJW-UHFFFAOYSA-N	276.336	1.409	10	20	CDCD	
OCC1(NCc2cc(F)cc(F)c2O)CCOCC1	708536083	VMIJUJGXUBBMBH-UHFFFAOYSA-N	273.279	1.302	10	20	CDCD	
COc1cc(N)c2c(c1O)C(=O)c1ccccc1C2=O	196826724	NPSOBTGZPYAAGA-UHFFFAOYSA-N	269.256	1.758	10	20	CDCD	
CC(C)OC[C@H](NCc1ccc2c(c1)CCCO2)C(=O)O	1333947209	HEUMTFGFBFKAPP-AWEZNQCLSA-N	293.363	1.979	10	20	CDCD	
CC(=O)c1cc(F)cc(Cn2cc(C[C@H](C)O)nn2)c1O	1330769511	SUQVPPGTYLKOHP-QMMMGPOBSA-N	293.298	1.297	10	20	CDCD	
O=C(NCc1cccc(O)c1O)c1ncoc1C1CC1	1263894720	SOVFWHNEGVRDGV-UHFFFAOYSA-N	274.276	1.893	10	20	CDCD	
O=C(O)CSCCNCc1ccc2c(c1)CCCO2	1352143850	RYERGQDRBLJXDE-UHFFFAOYSA-N	281.377	1.919	10	20	CDCD	
O=C(O)c1cncc(S(=O)(=O)Nc2ccc(O)cc2)c1	1608983279	YLCMTJGJWNTYTD-UHFFFAOYSA-N	294.288	1.286	10	20	CDCD	
O=C(O)c1cc(C2CN(Cc3cc(F)ccc3O)C2)[nH]n1	1608840611	AYQDHSBYAZTDGH-UHFFFAOYSA-N	291.282	1.552	10	20	CDCD	
C[C@H](C(=O)O)C(=O)NCc1cccc(Cl)c1O	1573590356	CMTZEOVKWPHVON-LURJTMIESA-N	257.673	1.383	10	20	CDCD	
CCCC[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)O	1595634268	CKCKNXLYWOFNIX-IOCXFXADSA-N	293.319	1.871	10	20	CDCD	
COc1ccc(O)c(CN[C@H](C)Cn2cccn2)c1	37154523	DHVLGGQGTYDXJU-LLVKDONJSA-N	261.325	1.776	10	20	CDCD	
CN(C)C(=O)N1CCC(NCc2ccccc2O)CC1	163842478	MWWSFRSBXNMKKN-UHFFFAOYSA-N	277.368	1.628	10	20	CDCD	
CCOc1cccc(CN2CC[C@H](CNC)C2)c1O	71141843	FPRQXDCXUQLBTO-GFCCVEGCSA-N	264.369	1.832	10	20	CDCD	
CCc1cccc(CN[C@@](C)(CO)COC)c1O	716854203	SNTMLYPFTXHHFY-AWEZNQCLSA-N	253.342	1.442	10	20	CDCD	
COC[C@H](C)NCc1ccc(N2CCOCC2)c(F)c1	66969638	DMGACPKTJAZTNR-LBPRGKRZSA-N	282.359	1.787	10	20	CDCD	
COC[C@H]1CN(Cc2cc(C)cc(OC)c2O)CCO1	178894360	AXUVZOBKACWAHO-CYBMUJFWSA-N	281.352	1.556	10	20	CDCD	
COc1cc(O)c(CN2CCC[C@@H]2CO)cc1OC	179665490	HOQBLGXYFYIRCA-LLVKDONJSA-N	267.325	1.366	10	20	CDCD	
Cc1cc(NC(=O)NCCc2ccc(O)c(O)c2)no1	172119331	FHAWANLGNRGORF-UHFFFAOYSA-N	277.280	1.758	10	20	CDCD	
CCNC(=O)CN(CC)C(=O)c1ccc(C)c(O)c1O	177669289	VCQUDRMMPCVXBN-UHFFFAOYSA-N	280.324	1.004	10	20	CDCD	
NC(=O)[C@H]1CCCN1Cc1cccc(Br)c1O	179581317	ZAQBNTSWFRDIQU-SNVBAGLBSA-N	299.168	1.604	10	20	CDCD	
COc1cccc(O)c1CN1C[C@@H](C(=O)O)C[C@@H](C)C1	1604870819	BVGSBYANRIDCEH-MNOVXSKESA-N	279.336	1.943	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CCCNC(=O)[C@@H]2C)c1O	189295500	IELNKMWZJAJUBM-VIFPVBQESA-N	294.326	1.444	10	20	CDCD	
CC(=O)NC[C@H]1CN(Cc2cccc(C)c2O)CCO1	180283291	ZCOCTEOOKFNCMZ-AWEZNQCLSA-N	278.352	1.038	10	20	CDCD	
CN1CCN(Cc2cccc(Br)c2O)CC1	154400840	QZESVSCMZPTJQO-UHFFFAOYSA-N	285.185	1.902	10	20	CDCD	
CNC(=O)CCCC(=O)N(C)Cc1ccc(N(C)C)cc1	123586690	VYQZZBMJWBLRIS-UHFFFAOYSA-N	291.395	1.627	10	20	CDCD	
CCN(C)C(=O)[C@H](C)NCc1cc(C)c(C)cc1O	188894989	UVBRJUOLVFZLDC-LBPRGKRZSA-N	264.369	1.965	10	20	CDCD	
CCCN(CCC(=O)NC)Cc1ccccc1O	263911219	LFHQXBNTUQHQLO-UHFFFAOYSA-N	250.342	1.740	10	20	CDCD	
CCC(=O)N1CCCN(Cc2ccccc2O)CC1	367528690	IBSHJMPBDHOWBH-UHFFFAOYSA-N	262.353	1.837	10	20	CDCD	
CNC(=O)CNCc1ccc(N(C)C)cc1C(F)(F)F	279550211	BBKZSZQJMJAGEN-UHFFFAOYSA-N	289.301	1.607	10	20	CDCD	
CCN1CCCN(C(=O)c2ccc(C)c(O)c2O)CC1	271302935	SSXSDVMDLSEXGB-UHFFFAOYSA-N	278.352	1.574	10	20	CDCD	
COc1cc([N+](=O)[O-])ccc1OCC(=O)C(C)=O	289812608	ZKXZZGMOVRBEQN-UHFFFAOYSA-N	253.210	1.140	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCOC[C@H]1[C@H]1CCCO1	376231965	UBXSTVABHHRFMW-WCQYABFASA-N	293.319	1.118	10	20	CDCD	
O=S(=O)(Nc1cc(Cl)c(O)cc1F)N1CCCC1	288239297	OBUHGLJSNNLGQX-UHFFFAOYSA-N	294.735	1.937	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@@H]2O[C@@H](C)C[C@H]2C)c1	800518916	JSYFIACFFHELOF-ISTVAULSSA-N	279.336	1.831	10	20	CDCD	
Oc1ccc(F)cc1CNCCC1(O)CCOCC1	809694033	HYKGDMXFAOPWAZ-UHFFFAOYSA-N	269.316	1.553	10	20	CDCD	
CCN(C)c1ccc([C@H](C)NC[C@@H]2CNCCO2)cc1	817983743	PIYGZHZGBWMDRA-BBRMVZONSA-N	277.412	1.782	10	20	CDCD	
COC[C@@](C)(CO)NCc1cc(Cl)c(F)cc1O	816563325	TYEKMEBSSMQLPU-GFCCVEGCSA-N	277.723	1.672	10	20	CDCD	
CC[C@H](C[C@H](C)CO)NC(=O)c1c(F)ccc(O)c1O	827472413	GFIXEWBVVLTLAB-DTWKUNHWSA-N	285.315	1.764	10	20	CDCD	
O=C(NCc1c(O)ccc2c1CCCC2)[C@H]1C[C@@H](O)C1	821071014	SCMDBGBSMFFROU-TXEJJXNPSA-N	275.348	1.658	10	20	CDCD	
COCC1(CC(=O)NCc2ccc(O)cc2O)CC1	824346691	BMGRMPRYSMKDKC-UHFFFAOYSA-N	265.309	1.531	10	20	CDCD	
Cc1c(NC(=O)/C=C\c2ccc(O)c(O)c2)cnn1C	588407804	XKNJQOZEOJJGIM-XQRVVYSFSA-N	273.292	1.792	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2cnc(C)n2C)c1	901133132	SLMLQNVNFDFLQS-UHFFFAOYSA-N	275.308	1.373	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNCC(F)(F)CO	840936719	DEJWLRVCQWCJQA-UHFFFAOYSA-N	258.312	1.778	10	20	CDCD	
Nc1ccc(NC(=O)C(=O)N2C[C@@H](C3CC3)[C@H]2C2CC2)cc1	841142131	KKAVKWVJUJGQLQ-LSDHHAIUSA-N	299.374	1.854	10	20	CDCD	
CC(=O)c1cc(F)cc(CN(C)[C@@H](CN)C2CC2)c1O	843386730	LHSCNGLCJQZFRO-AWEZNQCLSA-N	280.343	1.903	10	20	CDCD	
O=C1CN(Cc2ccccc2O)C(=O)N1[C@H]1C=CCC1	849360252	ZWRNSBFPZXQHKC-LBPRGKRZSA-N	272.304	1.875	10	20	CDCD	
CN(C)c1ccc(CN[C@H](CCN)C(F)F)cc1	841071949	KGKXGOCZOWBLSM-GFCCVEGCSA-N	257.328	1.825	10	20	CDCD	
CCO[C@@H]1COCC[C@H]1NC(=O)NCc1ccccc1O	759299365	DXUMCEAXFTWYKC-TZMCWYRMSA-N	294.351	1.385	10	20	CDCD	
Cc1cc(CCC(=O)NCc2ccccc2O)no1	934935933	PNSGZNRQZJYNCN-UHFFFAOYSA-N	260.293	1.938	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H](C)[C@H](O)CC	935945345	UJDSKCOIKAWYIN-GHMZBOCLSA-N	286.368	1.901	10	20	CDCD	
Cc1cccc(CN2CCN(C(C)(C)CO)CC2)c1O	775703518	ROEBIXQVPQRVLT-UHFFFAOYSA-N	278.396	1.589	10	20	CDCD	
COc1ccc2c(c1)CCCN2CC(=O)N=S(C)(C)=O	877944085	JFRXAASVNHWOJX-UHFFFAOYSA-N	296.392	1.702	10	20	CDCD	
OC[C@@H](NCc1cc(F)cc(F)c1O)[C@@H]1CCCOC1	883146514	PDLJCBHIYLEZAQ-NOZJJQNGSA-N	287.306	1.548	10	20	CDCD	
C[C@H]1CCN(Cc2ccc(N)cc2)CCS1(=O)=O	1120269706	ZKNZGQFEDIGFBZ-NSHDSACASA-N	268.382	1.278	10	20	CDCD	
C[C@H]1OC(=O)N[C@H]1C(=O)N(C)Cc1ccc(N(C)C)cc1	788627174	PGKZYGSFYOWFCN-ZWNOBZJWSA-N	291.351	1.208	10	20	CDCD	
C[C@@H]1CN(C(=O)c2cc(O)cs2)CCN1CC(C)(C)O	782077791	FRKFRHJYJQFSGT-SNVBAGLBSA-N	298.408	1.371	10	20	CDCD	
O=C(Cc1ccco1)OCC(=O)c1ccc(O)c(O)c1	784202664	WXCIYERGIBAPRN-UHFFFAOYSA-N	276.244	1.659	10	20	CDCD	
Cn1cc2c(n1)CCC[C@H]2C(=O)NCc1ccccc1O	798980469	QMJNJRQVCUVRBI-GFCCVEGCSA-N	285.347	1.862	10	20	CDCD	
CCc1cc(O)ccc1NS(=O)(=O)c1cnc[nH]1	790416100	PSTILTOIEHWMRS-UHFFFAOYSA-N	267.310	1.479	10	20	CDCD	
CCO[C@H]1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2O)C1	897068845	ZBDXDPZXOMSTCC-NSHDSACASA-N	296.323	1.920	10	20	CDCD	
C[C@H]1CN(Cc2c(O)ccc(Cl)c2F)C[C@H](CO)O1	792181211	YAAIRAULMCDDJK-DTWKUNHWSA-N	289.734	1.766	10	20	CDCD	
CCOC(=O)CN[C@H](C)c1ccc(N(C)C)cc1	37563876	QQXDGUFKYWQJCH-LLVKDONJSA-N	250.342	1.966	10	20	CDCD	
Cc1ccc(O)c(CN(C)[C@@H](C)C[S@](C)=O)c1	187825129	ITYJSZBQVGCJNQ-GTNSWQLSSA-N	255.383	1.899	10	20	CDCD	
Oc1cccc(Cl)c1CNCc1nnnn1C1CC1	742388366	SQZHVKDEFFJXSV-UHFFFAOYSA-N	279.731	1.657	10	20	CDCD	
OCC[C@H]1CCC[C@H]1NCc1cc2c(cc1O)OCO2	189932955	BBTNVYOUJFVZQZ-ZYHUDNBSSA-N	279.336	1.762	10	20	CDCD	
CN1CCC[C@H](NCc2cc(F)cc(F)c2O)C1=O	708409490	QNUXOPSLSWVPJM-NSHDSACASA-N	270.279	1.381	10	20	CDCD	
COc1cc(Cl)cc(CN2CCNC[C@H]2C)c1O	722385813	KIECGTKUWSQDKQ-SECBINFHSA-N	270.760	1.848	10	20	CDCD	
CCNCC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	1341512517	FSISRCUPIFPEAJ-OAHLLOKOSA-N	292.427	1.081	10	20	CDCD	
COc1cc(C)cc(CNC(C)(C)C(=O)O)c1O	1607149646	ZKJPGOCCGILUPJ-UHFFFAOYSA-N	253.298	1.662	10	20	CDCD	
N[C@H]1C[C@@H](CN(CC(=O)O)Cc2cc(Cl)ccc2O)C1	1601205941	XULNOSVRTOEPNV-WVSHTKLVSA-N	298.770	1.670	10	20	CDCD	
Cc1nnc2n1CCN(C(=O)Cc1ccc(N)cc1)[C@H]2C	1579914738	QHMXBJDEYQNTRL-JTQLQIEISA-N	285.351	1.315	10	20	CDCD	
Nc1ccc(NC(=O)Nc2ccc(=O)n(CCO)c2)cc1	1580449640	QRDGMNZGDLULNS-UHFFFAOYSA-N	288.307	1.067	10	20	CDCD	
Cc1cccc(CN(C)[C@H]2CCN(S(C)(=O)=O)C2)c1O	292811570	OWHAJQTVSLSWGT-ZDUSSCGKSA-N	298.408	1.166	10	20	CDCD	
C[C@H](CC(C)(C)O)NC(=O)c1cccc(O)c1O	297143516	ILZJBLAJCRBWBI-MRVPVSSYSA-N	253.298	1.377	10	20	CDCD	
CC(C)[C@H](C(=O)NCc1ccc(N(C)C)cc1)[C@@H](C)N	399412541	WUXWUOIRHJKQNC-DOMZBBRYSA-N	277.412	1.988	10	20	CDCD	
CC(C)[C@@H](C(=O)N(C)Cc1ccccc1O)[C@H](C)N	399618734	YJJUDVJCUSYODX-SMDDNHRTSA-N	264.369	1.970	10	20	CDCD	
COc1cc(Cl)cc(CN(C)[C@H]2CCNC2=O)c1O	761205082	QDRSYYXSTLXBJY-JTQLQIEISA-N	284.743	1.375	10	20	CDCD	
CN(C)c1ccc(CNc2ncc([N+](=O)[O-])c(N)n2)cc1	58194267	AFHWKQYOMVLYTB-UHFFFAOYSA-N	288.311	1.645	10	20	CDCD	
COc1ccc(O)c(CN2CCC(N(C)C(C)=O)CC2)c1	179877350	JIWDVQAIZIPURY-UHFFFAOYSA-N	292.379	1.844	10	20	CDCD	
C[C@H](NC[C@H]1COCCO1)c1ccc(F)cc1O	62747889	MOMOFTPITGHGBL-ONGXEEELSA-N	255.289	1.597	10	20	CDCD	
Cc1csc(CNC(=O)Cc2ccc(N)cc2)n1	38091320	PPRJDLPRPAOWCU-UHFFFAOYSA-N	261.350	1.893	10	20	CDCD	
OCCN1CCN(Cc2cccc(Cl)c2O)CC1	183370790	FFLIZBGGFQYCQZ-UHFFFAOYSA-N	270.760	1.156	10	20	CDCD	
CCCCN1CC(=O)N[C@@H]1c1cc(OC)ccc1O	77475013	BCSSDTBSEPNAFE-AWEZNQCLSA-N	264.325	1.631	10	20	CDCD	
CNC[C@@H]1CCCN1Cc1cc(OC)ccc1O	133064183	DQARJXUDBGXNCF-LBPRGKRZSA-N	250.342	1.585	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)Cc1ccc(N)cn1	320042488	RJELPGSFPFWZNB-UHFFFAOYSA-N	298.390	1.931	10	20	CDCD	
CCCc1ccc(NC=C2C(=O)NC(=S)NC2=O)cc1	194963909	IOKGSRGDSGNDMV-UHFFFAOYSA-N	289.360	1.466	10	20	CDCD	
CC[C@@]1(CO)CCCN1Cc1cc2c(cc1O)OCO2	191958431	DCGHWNDLZBSEBC-HNNXBMFYSA-N	279.336	1.858	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)NCC1CCOCC1	194834007	AWHOJRQVDKAPQF-UHFFFAOYSA-N	278.352	1.960	10	20	CDCD	
CNC(=O)[C@H]1CCCN(Cc2ccc(N(C)C)cc2)C1	93360405	DFQNYOCNZONWEH-AWEZNQCLSA-N	275.396	1.711	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1nncs1	530186271	JZNUCMXMJYPENQ-SSDOTTSWSA-N	279.321	1.310	10	20	CDCD	
CCn1cc(S(=O)(=O)NCc2ccccc2O)cn1	269744925	WLKYBQGYMAHPCB-UHFFFAOYSA-N	281.337	1.087	10	20	CDCD	
CCCOc1ccc(CN[C@@H](C)C(=O)OC)c(O)c1	279780348	CAMOIYREXGZZJP-JTQLQIEISA-N	267.325	1.832	10	20	CDCD	
CCNC(=O)C1(CNCc2ccccc2O)CCC1	277444325	OPYNBGFLAXZCEU-UHFFFAOYSA-N	262.353	1.788	10	20	CDCD	
CCC[C@@](C)(O)CNC(=O)c1ccc(C)c(O)c1O	272765023	QZFCSMOREAHOCG-CQSZACIVSA-N	267.325	1.687	10	20	CDCD	
CC(C)N(C)C(=O)C(=O)NCc1ccc(N(C)C)c(F)c1	285625407	DSJSACQVOZOONM-UHFFFAOYSA-N	295.358	1.375	10	20	CDCD	
CN(C(=O)/C=C/c1ccc(O)c(O)c1)[C@@H]1CCC[C@H]1O	286545765	ZIBMWUQCLKXZPW-RQDOONKYSA-N	277.320	1.483	10	20	CDCD	
CC[C@H](O)CNC(=O)NCc1ccc(N2CCCC2)cc1	291662535	OYSLBNHYRMOUMY-HNNXBMFYSA-N	291.395	1.857	10	20	CDCD	
COCC1(O)CN(Cc2cccc(Cl)c2O)C1	297570736	REFGXDOMHBZIGZ-UHFFFAOYSA-N	257.717	1.239	10	20	CDCD	
CN1CC[C@@H]2CN(C(=O)c3cc(O)cs3)C[C@@H]2C1	812331264	DVHZKRIQVOQQPT-ZJUUUORDSA-N	266.366	1.477	10	20	CDCD	
Cn1cc(/C=C/C(=O)N2C[C@H](CO)Cc3ccccc32)cn1	816782628	BXJNKGGTYPWHAF-PSKZRQQASA-N	297.358	1.631	10	20	CDCD	
COc1ccc(O)c([C@@H](C)N[C@@H]2CCCNC2)c1	817941777	RMXOIAOOZCIGCP-GHMZBOCLSA-N	250.342	1.803	10	20	CDCD	
CCOC(=O)/C(=C\c1c[nH]c(C(=O)O)c1)c1nccn1C	829817141	BDANXWITBZAJGU-POHAHGRESA-N	289.291	1.550	10	20	CDCD	
CO[C@H]1COCC[C@H]1CNCc1ccc(N(C)C)cc1	824708023	COQHCPZQYYXFBZ-HOCLYGCPSA-N	278.396	1.894	10	20	CDCD	
CO[C@H]1CCC[C@H]1CNC(=O)c1c(F)ccc(O)c1O	827821769	VCCIRLGYSBZVIO-KWQFWETISA-N	283.299	1.782	10	20	CDCD	
CN1CC[C@@H](C(=O)NCc2ccc3c(c2)CCCN3C)C1	729285052	STZDYXBJWSZDRH-OAHLLOKOSA-N	287.407	1.637	10	20	CDCD	
C[C@@H](NC(=O)CCN1C(=O)CCC1=O)c1ccccc1O	827923251	MUTBZXOSKBCQJV-SNVBAGLBSA-N	290.319	1.109	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N[C@H](C(=O)O)C2CC2)cc1	908757907	FMORRSQMCNXBBW-ZDUSSCGKSA-N	291.351	1.415	10	20	CDCD	
CC(C)[C@@H](C(=O)O)C(=O)N[C@@H](C)c1ccccc1O	902516530	GZVZPRZKYBXIAU-JOYOIKCWSA-N	265.309	1.926	10	20	CDCD	
CC(C)CNC(=O)[C@H](C)OC(=O)c1cc(O)cs1	731909801	KUQJVWBOIZXQME-QMMMGPOBSA-N	271.338	1.771	10	20	CDCD	
C[C@H](N(C)C(=O)/C=C\c1ccc(O)c(O)c1)C(C)(C)O	836811865	OANGZQPLMKTYMN-ZEBCKKTISA-N	279.336	1.729	10	20	CDCD	
COc1ccc(N(C)CCN(C)Cc2cn(C)nn2)cc1	844401325	LTUYIMDIKKIMAL-UHFFFAOYSA-N	289.383	1.392	10	20	CDCD	
Cc1cc(O)c(CN[C@H](CO)[C@H]2CCCOC2)cc1C	840962561	LPJMVFLHHLYILZ-DZGCQCFKSA-N	279.380	1.886	10	20	CDCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N(C)CCO	840482162	UGQFFSNYPQAFPG-ZDUSSCGKSA-N	293.411	1.626	10	20	CDCD	
CC[C@@H](C(=O)O)C(=O)N(C)Cc1ccccc1O	911231646	VJSVMJQTGWBXKU-SNVBAGLBSA-N	251.282	1.461	10	20	CDCD	
C[C@@H]1C(=O)CC[C@@H]1CC(=O)NCc1ccc(O)cc1O	910946180	KBKORKLJXZYNSC-VHSXEESVSA-N	277.320	1.719	10	20	CDCD	
CN(CC1(O)CCC1)C(=O)NCCc1ccc(N)cc1	841960522	RRLRSIXNAVSRMH-UHFFFAOYSA-N	277.368	1.368	10	20	CDCD	
CCCSCC(=O)NCc1ccc(O)cc1O	910952206	SKYCNEVFDNTTDP-UHFFFAOYSA-N	255.339	1.857	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)[C@H](C)NC)cc1F	848413689	IWCTZBMGZUFWMM-NSHDSACASA-N	281.375	1.896	10	20	CDCD	
CC[C@@H](C(=O)O)C(=O)NCc1ccc(OC)cc1O	911717050	CLRDGDKNVJWLQZ-SNVBAGLBSA-N	267.281	1.128	10	20	CDCD	
O=C(O)[C@@H]1CC[C@H](NCc2cc(F)ccc2O)C1	843039279	OSBRIOOFYSTCPG-KCJUWKMLSA-N	253.273	1.874	10	20	CDCD	
CN(Cc1cc(Cl)cc([N+](=O)[O-])c1O)[C@H]1CCNC1	843049185	IQBGJMSXTLANRD-JTQLQIEISA-N	285.731	1.748	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCCNCC1	841828417	UNRICFVURXPQFC-UHFFFAOYSA-N	290.411	1.566	10	20	CDCD	
CCOc1ccc(CNCC[C@@H]2CCNC2)c(O)c1	841036848	PVGSUPPRLCBVCA-LBPRGKRZSA-N	264.369	1.880	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)NCC2(O)CCC2)c1	756561289	AFFJCWGHCMIYQM-SNVBAGLBSA-N	279.336	1.744	10	20	CDCD	
O=S(=O)(CC[C@H]1CCCO1)NCc1ccccc1O	751151780	XSODPMWXOOYVCK-GFCCVEGCSA-N	285.365	1.381	10	20	CDCD	
CO[C@H](C)[C@H](C)NC(=O)NCc1cc(C)ccc1O	858381240	NXACLJJHJBDBSF-WDEREUQCSA-N	266.341	1.923	10	20	CDCD	
C[C@@H](CN[C@H](C)c1cc(F)cc(F)c1O)S(C)(=O)=O	756770099	QPTSIXPPAJNHEC-JGVFFNPUSA-N	293.335	1.754	10	20	CDCD	
CN(Cc1ccccc1O)C[C@H]1COC(C)(C)O1	851840419	GKHFHFINSYTRJM-LBPRGKRZSA-N	251.326	1.976	10	20	CDCD	
CCOc1ccc(CN2CCOC[C@@H]2C(=O)OC)c(O)c1	769398085	FSOKEPCNNQLTAO-CYBMUJFWSA-N	295.335	1.165	10	20	CDCD	
COc1cccc(O)c1CN1CC[C@@H](C)[S@@](=O)CC1	763494831	ULDVKUKGRKSJIP-WYRIXSBYSA-N	283.393	1.744	10	20	CDCD	
COC/C=C\C(=O)N[C@H](C)c1cc(OC)ccc1O	866764758	ORXSSHVHWYRDDW-UMCURTJPSA-N	265.309	1.781	10	20	CDCD	
CNC(=O)[C@@H](C)CN(C)Cc1cc(F)c(N(C)C)cc1F	862251557	HGJPNNNCQWCAPX-JTQLQIEISA-N	299.365	1.845	10	20	CDCD	
COC[C@H]1CCCN1Cc1cc2c(cc1O)OC[C@H]2O	768464413	QUJVQJFCSKMXOS-BXUZGUMPSA-N	279.336	1.429	10	20	CDCD	
COc1cccc(CNC(=O)c2nc(C)no2)c1O	865925302	IIXZJWILMLTFDR-UHFFFAOYSA-N	263.253	1.022	10	20	CDCD	
CC[C@@](C)(O)CNCc1ccc(N2CCN(C)CC2)cc1	771830403	QKKMVVUKIHQZQB-QGZVFWFLSA-N	291.439	1.689	10	20	CDCD	
Cc1cc(NS(=O)(=O)c2cnc[nH]2)c(C)c(C)c1O	775288762	RLSHETKXOSGUAX-UHFFFAOYSA-N	281.337	1.841	10	20	CDCD	
Cc1ccc(CN2CCCN(C(N)=O)CC2)c(O)c1	876658032	WXGFLUUQHRDDDE-UHFFFAOYSA-N	263.341	1.287	10	20	CDCD	
C=Cn1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)cn1	772176525	NGOOUQINEKVFFK-FPYGCLRLSA-N	295.345	1.269	10	20	CDCD	
Cc1nonc1C(=O)N[C@H](C)c1ccc(N(C)C)cc1	773018098	XKGHPHPAVKCAFI-SECBINFHSA-N	274.324	1.935	10	20	CDCD	
COc1ccc(CNCCNC(=O)CC(C)(C)O)cc1C	1126462413	RCQMMBWLAFKHSI-UHFFFAOYSA-N	294.395	1.370	10	20	CDCD	
C[C@H]1C[C@@H](O)CN1C(=O)NCc1ccc(N(C)C)cc1	788082613	JDACWAIKOTUAHU-SMDDNHRTSA-N	277.368	1.417	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCC[C@@H](n2ccnc2)C1	790643266	LDXGHKUXVZTLEE-LLVKDONJSA-N	287.319	1.772	10	20	CDCD	
O=C(CCc1cnccn1)NCCc1ccc(O)c(O)c1	793681276	NNXXLHKKNAHMGS-UHFFFAOYSA-N	287.319	1.179	10	20	CDCD	
CC[C@@H](NC[C@@]1(O)CCOC1)c1ccc(C)cc1O	794815405	KKNJLSHHRQGPBH-HIFRSBDPSA-N	265.353	1.893	10	20	CDCD	
C[C@H](NCc1ccc2c(c1)CCO2)c1ccc(O)nn1	796739054	PAMXOUDRLUWYNR-JTQLQIEISA-N	271.320	1.968	10	20	CDCD	
COc1ccc(CNC(=O)Cc2cccnc2)c(O)c1	794382101	XSBUWKXSEBLMQD-UHFFFAOYSA-N	272.304	1.655	10	20	CDCD	
Cc1nnc(CNCc2ccc3c(c2)CCCO3)n1C	1332337098	PSXDEYMNOSBAGS-UHFFFAOYSA-N	272.352	1.738	10	20	CDCD	
Cc1ccc(C(=O)NC[C@@H](C2CC2)N(C)C)c(O)c1O	1319952944	WBXFCRAQDPOWHP-LBPRGKRZSA-N	278.352	1.476	10	20	CDCD	
C[C@H](NCC(=O)NCC1CC1)c1ccc(F)cc1O	186505208	KIOOLASGADJZAV-VIFPVBQESA-N	266.316	1.708	10	20	CDCD	
CC1(S(=O)(=O)NCCc2ccc(N)cc2)CC1	710222156	CZFFLFPQYTVWQN-UHFFFAOYSA-N	254.355	1.283	10	20	CDCD	
CC[C@H](C)[C@H](O)CNC(=O)NCc1ccc(N)cc1	1335737514	QPOASTSQFSVFSW-GXFFZTMASA-N	265.357	1.475	10	20	CDCD	
CCN1CCC[C@H](NCc2cc(F)cc(F)c2O)C1=O	722353686	NPJFLFHAIOYZJL-LBPRGKRZSA-N	284.306	1.771	10	20	CDCD	
COc1cccc(O)c1CN(C)C[C@@H]1CCOC1	769532230	IDSLJRCXGFFSOM-NSHDSACASA-N	251.326	1.869	10	20	CDCD	
CN1CCCC[C@@H]1CNC(=O)/C=C/c1ccc(O)c(O)c1	1337536502	UXYVKLLYXCBENZ-STMXVASLSA-N	290.363	1.712	10	20	CDCD	
CO[C@H]1CCN(C(=O)NCc2ccc(N)cc2)[C@@H](C)C1	1335737477	PYPMOLQAYBYFEJ-FZMZJTMJSA-N	277.368	1.978	10	20	CDCD	
COCCO[C@H]1CCN(Cc2c(O)cccc2OC)C1	783714801	DGZUFHKGAMUUSB-LBPRGKRZSA-N	281.352	1.638	10	20	CDCD	
CN(C)CCOC1CCN(Cc2ccc(N)cc2)CC1	1356083348	NNQLMCBARYOLPO-UHFFFAOYSA-N	277.412	1.811	10	20	CDCD	
Cc1ccc(C(=O)N2CCC[C@](C)(C(=O)O)C2)c(O)c1O	1600332206	BVWSOSROAOGSIR-HNNXBMFYSA-N	293.319	1.733	10	20	CDCD	
CCc1onc(C)c1C(=O)NCc1cccc(O)c1O	1548791644	VMVCRMKFROPUOC-UHFFFAOYSA-N	276.292	1.887	10	20	CDCD	
O=C1NC(=S)S/C1=C/c1ccc(C(=O)O)s1	1777698903	KWEWLNYQVGLDNW-ZZXKWVIFSA-N	271.344	1.935	10	20	CDCD	
C[C@@H](CNCc1ccc2c(c1)CCO2)[C@H](F)C(=O)O	1776425513	AUEOQXXYIPDPDH-ZANVPECISA-N	267.300	1.770	10	20	CDCD	
CC[C@H](NCc1c(O)cccc1OC)C(=O)NC	825316140	KRDUNJQIXNQLMC-JTQLQIEISA-N	252.314	1.015	10	20	CDCD	
CC[C@@H]1CN(Cc2cc(OC)ccc2O)CC[C@H]1N	251879142	VBMWMOFDSJSMRZ-BXUZGUMPSA-N	264.369	1.960	10	20	CDCD	
COc1ccc(O)c([C@@H](C)N[C@@H]2CCN(C)C2=O)c1	121034136	RHLWVLOMOXUSQY-BXKDBHETSA-N	264.325	1.282	10	20	CDCD	
CC[C@H](N)C(=O)N1CCN(c2ccc(OC)cc2)CC1	36871268	LHBNBBNRTNYSGI-AWEZNQCLSA-N	277.368	1.081	10	20	CDCD	
C[C@@H](N[C@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1O	272930045	ZJUJCYZZLKMJMG-NEPJUHHUSA-N	298.408	1.467	10	20	CDCD	
COc1ccc(O)c(CN2CC[C@H](C(=O)O)[C@H](C)C2)c1	312712740	TUULICXOGFSAKI-MFKMUULPSA-N	279.336	1.943	10	20	CDCD	
Nc1ccc(CCNS(=O)(=O)CC2CCC2)cc1	379718489	RNYIZZZGLNMJFK-UHFFFAOYSA-N	268.382	1.531	10	20	CDCD	
C[C@@]1(CNCc2cc3c(cc2O)OCO3)CCOC1	397111180	CHBFBHQIYJBRQO-AWEZNQCLSA-N	265.309	1.637	10	20	CDCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2NCc1nnn(C)n1	398065274	HJNHYHLMRUJJIB-NXEZZACHSA-N	273.340	1.562	10	20	CDCD	
C[C@@H](NCCO)c1ccc(N2CCOCC2)c(F)c1	20551037	CWPIZKNZDVJVNS-LLVKDONJSA-N	268.332	1.305	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCOCC1	66697367	CQNMMYQMPDWTLT-UHFFFAOYSA-N	291.395	1.043	10	20	CDCD	
Cc1ccc(C(=O)Nc2c(C)ccn(C)c2=O)c(O)c1O	182580731	PRMXJRDTZBIZGE-UHFFFAOYSA-N	288.303	1.666	10	20	CDCD	
CCC(CC)[C@H](O)CNC(=O)c1ccc(C)c(O)c1O	177685050	JDFCMUGGNHIDPC-GFCCVEGCSA-N	281.352	1.933	10	20	CDCD	
CCNC(=O)N1CCN(Cc2cc(Cl)ccc2O)CC1	121579018	GSYVCNZFVJTLMO-UHFFFAOYSA-N	297.786	1.893	10	20	CDCD	
C[C@@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)N(C)C1CC1	181029796	YSDMKGYLYUXTBF-VUQUXZKVSA-N	290.363	1.710	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC[C@H](O)Cn2cccn2)c1	182447085	LAZHNNWFVCVNIV-RYUDHWBXSA-N	291.351	1.309	10	20	CDCD	
CN(CC(=O)NCc1ccccc1O)C(=O)OC(C)(C)C	264019604	DUBFENHHHHSOCA-UHFFFAOYSA-N	294.351	1.875	10	20	CDCD	
COC(=O)[C@@H](C)NCc1ccc(N2CCOCC2)cc1	48142215	YMRRNBIZMJSCOM-GFCCVEGCSA-N	278.352	1.174	10	20	CDCD	
CC(C)(C)OCC(=O)NCCc1ccc(O)c(O)c1	182342808	QKNUQOHJNUFSMK-UHFFFAOYSA-N	267.325	1.572	10	20	CDCD	
Cc1cc(C(=O)NC2CCNCC2)c(C)n1-c1ccccn1	262512256	OVSYMJGJGHPVHY-UHFFFAOYSA-N	298.390	1.971	10	20	CDCD	
Cc1nnc(SCCC(=O)NCc2ccccc2O)[nH]1	269173554	ZSFZPAJPUVLPLP-UHFFFAOYSA-N	292.364	1.617	10	20	CDCD	
COc1cc(O)c(CN2C[C@H](C)N(C)[C@H](C)C2)cc1OC	293753921	XCFYTXMSQBGUAK-TXEJJXNPSA-N	294.395	1.934	10	20	CDCD	
COc1cc(C)cc(CN2CC[C@H](CC(N)=O)C2)c1O	808228797	LPWABBVWVRGKEQ-LLVKDONJSA-N	278.352	1.407	10	20	CDCD	
COC(=O)[C@H]1CN(Cc2ccc(N(C)C)c(C)c2)CCO1	815036807	BUYHLPPYXMQKBY-OAHLLOKOSA-N	292.379	1.435	10	20	CDCD	
O=C1CC[C@@H]2CN(Cc3cc(Cl)c(F)cc3O)CCN12	816499585	VBZWLTGDUKCJDB-SNVBAGLBSA-N	298.745	1.991	10	20	CDCD	
CCn1nc(C)c(CNCc2cccc(OC)c2O)n1	818221541	PTNZROYFJUIJLA-UHFFFAOYSA-N	276.340	1.610	10	20	CDCD	
COC1([C@@H](C)NC(=O)c2cccc(O)c2O)CCOCC1	817703313	OGPZMBBPJCROPW-SNVBAGLBSA-N	295.335	1.412	10	20	CDCD	
C[C@H](NC[C@H]1CNCCO1)c1ccc(F)cc1O	817984395	XOBDFIJSBSNGAV-GXSJLCMTSA-N	254.305	1.170	10	20	CDCD	
CN(C)CC1(C(=O)NCc2ccc(O)c(O)c2)CC1	821070920	QKXWDJRJKGXEQI-UHFFFAOYSA-N	264.325	1.056	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1CCC(O)(CO)CC1	827139410	ARDBJWBCRWDRAZ-UHFFFAOYSA-N	278.396	1.380	10	20	CDCD	
Cc1ccc(C(=O)OCC(=O)NC2CCCC2)c(O)c1O	727004977	BHBKVFNTKMJJPS-UHFFFAOYSA-N	293.319	1.622	10	20	CDCD	
COc1cccc(O)c1CN1CC[C@@H](N2CCOC2=O)C1	826994571	KWHUXCXVIJIRND-LLVKDONJSA-N	292.335	1.427	10	20	CDCD	
CCOc1cccc(CN2C[C@@H](C)C[C@@H](O)C2)c1O	825311485	KGMQAXLOPYQDTC-WCQYABFASA-N	265.353	1.994	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCN(c2cnccn2)CC1	732268277	FUFDAKUFYSFULK-UHFFFAOYSA-N	290.348	1.206	10	20	CDCD	
C[C@H]1CN(C(=O)COC(=O)c2cc(O)cs2)C[C@H](C)O1	732355020	ZYXNIXYIDHYXBF-IUCAKERBSA-N	299.348	1.246	10	20	CDCD	
Cc1ccc(C(=O)N(CC(F)F)C[C@H](C)O)c(O)c1O	837010122	YIQYAXKVRYIPHT-QMMMGPOBSA-N	289.278	1.494	10	20	CDCD	
CCO[C@@H]1C[C@@](CO)(NC(=O)c2cc(O)cs2)C1(C)C	832677728	LJVDUXZBSYUJFB-RISCZKNCSA-N	299.392	1.750	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CN2CCC[C@H](F)C2)cc1	902995876	GSFTYNAFYSTMDD-AWEZNQCLSA-N	293.386	1.803	10	20	CDCD	
C[C@H](NCc1cc([N+](=O)[O-])ccc1O)c1ccn(C)n1	839192654	VUCKWKIMFVKRGX-VIFPVBQESA-N	276.296	1.885	10	20	CDCD	
CC[C@H](NC(=O)c1cc(O)cs1)[C@@H](O)C(C)C	839866926	HDCIAEHBBUZXJT-ONGXEEELSA-N	257.355	1.979	10	20	CDCD	
COc1ccc(CNC(=O)[C@@]2(C)CCNC2)c(O)c1	832177790	GQDUXXQWSRGZNU-AWEZNQCLSA-N	264.325	1.017	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NCCC1(CO)CC1	836968215	KUYDTYHLTNMKDM-DUXPYHPUSA-N	277.320	1.390	10	20	CDCD	
CCn1ncc(CN(C)c2ccc3c(c2)OCO3)n1	839005763	YDKURTWFFAETSX-UHFFFAOYSA-N	260.297	1.663	10	20	CDCD	
O=C(CCOCC(F)(F)F)NCc1ccc(O)cc1O	910952040	PZXYAGMYQUBYKG-UHFFFAOYSA-N	293.241	1.683	10	20	CDCD	
CNC(=N)NC[C@H]1CCN(c2ccc(OC)cc2)C1	849043698	FWZWIGUTJINDFP-LLVKDONJSA-N	262.357	1.265	10	20	CDCD	
CSC[C@H](C)C(=O)NCc1ccc(O)cc1O	910953467	BQWUTEMVPOUVKA-QMMMGPOBSA-N	255.339	1.713	10	20	CDCD	
CCn1cc(NC(=O)NCc2ccccc2O)ccc1=O	748324491	FSQSSRQNKOXJME-UHFFFAOYSA-N	287.319	1.896	10	20	CDCD	
CC[C@@H](O)CN(C)CCN(C)c1ccc(OC)cc1	844398715	ACHMTZXNEYYKSE-CQSZACIVSA-N	266.385	1.834	10	20	CDCD	
CCc1cccc(CNCCCc2cnn(C)n2)c1O	848914452	NEIGLDRFMCITIC-UHFFFAOYSA-N	274.368	1.806	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N2CCNCC2)cc1F	841760831	LXRRAWYMTLQDNU-UHFFFAOYSA-N	280.347	1.007	10	20	CDCD	
COC(=O)[C@H](CNC(=O)Cc1ccc(N)cc1)CC1CC1	846696362	FRVUQLWLMCZGNZ-ZDUSSCGKSA-N	290.363	1.517	10	20	CDCD	
CCN(CC)c1ccc(CN(C)CC2(CO)COC2)cc1	756785108	ZEXJXZZRTYXEPS-UHFFFAOYSA-N	292.423	1.974	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)N[C@@H](C)CCN(C)C)c1	858280788	DGSYSZWVYNJPAK-LBPRGKRZSA-N	279.384	1.840	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)C[C@@H]1CCC(=O)NC1	857466740	FMSMZKYXNHRVEA-NSHDSACASA-N	276.336	1.267	10	20	CDCD	
CN(C)c1cc(F)c(CN2CC[C@@](C)(O)C2)cc1F	862250196	GLWKBAHWHISZDL-CQSZACIVSA-N	270.323	1.988	10	20	CDCD	
Cc1ccc(CN[C@H](C)[C@H]2CN(C)CCO2)c(O)c1	877100211	QSVPCJHKSQZWOC-IUODEOHRSA-N	264.369	1.509	10	20	CDCD	
CN1C(=O)[C@@H]2CN(Cc3cccc(Cl)c3O)C[C@@H]2C1=O	877721074	ZKIMUXNBHCPGLD-AOOOYVTPSA-N	294.738	1.092	10	20	CDCD	
Cc1ccc(CN2CCC(C(=O)NCCO)CC2)c(O)c1	876578218	FPWISJHFBOIRPU-UHFFFAOYSA-N	292.379	1.021	10	20	CDCD	
Cc1ccc(C(=O)NCc2ccc(O)c(O)c2)nc1	778919042	RJUPNINNWUIOMV-UHFFFAOYSA-N	258.277	1.731	10	20	CDCD	
OCC[C@]1(NCc2cc(F)cc(F)c2O)CCOC1	883105339	GUOAOHJKLWDTPX-ZDUSSCGKSA-N	273.279	1.302	10	20	CDCD	
CCO[C@@H]1COC[C@H]1N[C@H](C)c1c(O)cccc1F	886621913	FWOPJKLCZALMQH-IRUJWGPZSA-N	269.316	1.986	10	20	CDCD	
COc1cccc(CNC(=O)NC[C@H]2CCC=CO2)c1O	780748862	DXCDIQYTHSDGGK-GFCCVEGCSA-N	292.335	1.893	10	20	CDCD	
CC1(OCC(=O)OCC(=O)c2ccc(O)c(O)c2)CCC1	784299281	YILBLFWFSUVZLR-UHFFFAOYSA-N	294.303	1.783	10	20	CDCD	
COc1ccc(CN2C[C@@H](C)[C@@H](O)C2)c(O)c1OC	897676706	WKHDICZDABVODS-KOLCDFICSA-N	267.325	1.222	10	20	CDCD	
COc1cc(C)cc(CN2CCC[C@@H]2C(N)=O)c1O	894905474	FQDZBEFSNOXEJP-LLVKDONJSA-N	264.325	1.159	10	20	CDCD	
COc1cc(C)cc(CN[C@H](CO)CC(F)F)c1O	894568015	VAJFHAHRKBXYML-JTQLQIEISA-N	275.295	1.815	10	20	CDCD	
CC[C@@H]1C[C@H]1NC(=O)NCc1ccc(OC)cc1O	798104879	GNKRPWNCLIMXJQ-BXKDBHETSA-N	264.325	1.999	10	20	CDCD	
CN(C)CCCOC(=O)/C=C/c1ccc(O)c(O)c1	792042859	ZWJSIBAQQSMHLW-FNORWQNLSA-N	265.309	1.606	10	20	CDCD	
Cc1ccc(C(=O)N2C[C@H](C)S(=O)[C@@H](C)C2)c(O)c1O	791176163	ICFVSVJWKXAFOP-UWVGGRQHSA-N	297.376	1.388	10	20	CDCD	
COc1ccc(CNC(=O)COC2(C)CCC2)c(O)c1	794376262	DLUOEGVHRSKUDX-UHFFFAOYSA-N	279.336	1.976	10	20	CDCD	
CCN(CC(=O)N(C)C)Cc1cc(OC)ccc1O	133208735	SUGXPYRPYCDODK-UHFFFAOYSA-N	266.341	1.311	10	20	CDCD	
O=C(NCCC1=CCN(c2nccnc2F)CC1)C1CC1	1089803774	SXXPJCVWNDZJII-UHFFFAOYSA-N	290.342	1.669	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@H]1CCCCCN1	80996899	OQTGGGCPOHSUOT-CYBMUJFWSA-N	262.353	1.883	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1O2	1256533225	OEZWNYIHWSYBDV-OUCADQQQSA-N	276.336	1.854	10	20	CDCD	
CCc1cccc(CNCC(C)(C)C(=O)NC)c1O	691435157	NYHBIFQHZNTZTO-UHFFFAOYSA-N	264.369	1.816	10	20	CDCD	
COC[C@H](O)CNCc1ccc(N2CCCC2)cc1	71269470	WCGWGEGZYBTUGD-OAHLLOKOSA-N	264.369	1.384	10	20	CDCD	
COc1cncc(S(=O)(=O)Nc2ccc(O)cc2C)c1	799123469	WYOLBDSDQCTOBI-UHFFFAOYSA-N	294.332	1.905	10	20	CDCD	
Cc1cc(CN2C[C@@H](O)C[C@H]2C(=O)O)ccc1N(C)C	1600193051	VSFCGPYSUYVQCM-JSGCOSHPSA-N	278.352	1.081	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1C[C@H]2[C@@H](C1)[C@@H]2C(=O)O	1600237223	UZPUJXIMWRCWKL-FICVDOATSA-N	274.364	1.823	10	20	CDCD	
C/C(=C/CNC(=O)NCc1cc(Cl)ccc1O)C(=O)O	1588973443	KWYKWOADWQEUSP-YWEYNIOJSA-N	298.726	1.876	10	20	CDCD	
COc1cccc(CN[C@@H](CC(F)F)C(=O)O)c1O	1599674584	SSVADWSJVQDEDK-QMMMGPOBSA-N	275.251	1.599	10	20	CDCD	
C[C@@H](NCCCC(=O)N(C)C)c1cc(C(=O)O)ccc1O	1593265621	VFJAUDFOESXMFH-SNVBAGLBSA-N	294.351	1.609	10	20	CDCD	
C[C@@H](NCCC(=O)NCCC(=O)O)c1ccc(F)cc1O	1593262631	UVOYGJCBGWXOAU-SECBINFHSA-N	298.314	1.163	10	20	CDCD	
C[C@@H](NCc1c(O)ccc(F)c1Br)C(=O)O	1777407365	RLCJXQXBUKPALE-RXMQYKEDSA-N	292.104	1.857	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(=O)[nH]c1	18150505	GPHWTXHBBRNDEF-UHFFFAOYSA-N	285.347	1.713	10	20	CDCD	
C[C@@H](NC(=O)C1(C(=O)O)CCC1)c1ccccc1O	902516171	AWFDGNSFYFWRGY-SECBINFHSA-N	263.293	1.824	10	20	CDCD	
C[C@@H](NC(=O)CCn1ccnc1)c1ccccc1O	827930642	OCGQTYHMCUBHRQ-LLVKDONJSA-N	259.309	1.856	10	20	CDCD	
CCN1CCC(CNC(=O)c2cccc(O)c2O)CC1	126352272	NBQDJUUUOYRHQE-UHFFFAOYSA-N	278.352	1.560	10	20	CDCD	
COc1cccc(CN2CC[C@H](C)[C@H](CN)C2)c1O	253202393	YVMHBBXRFPNAQF-WCQYABFASA-N	264.369	1.818	10	20	CDCD	
COc1ccc(N(C)CCOCCO)cc1Cl	268169805	LMICDHQHGZQTLI-UHFFFAOYSA-N	259.733	1.794	10	20	CDCD	
CNC(=O)C[C@@H](C)NCc1c(O)cccc1Cl	322860340	BKMQGMFDZWMATB-MRVPVSSYSA-N	256.733	1.660	10	20	CDCD	
CCOc1cccc(CN2CC[C@@H]3NCC[C@H]3C2)c1O	380709671	IBMJFCOEVGXBCD-JSGCOSHPSA-N	276.380	1.975	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2C[C@@H](C)[C@@H](O)C2)c1O	388089432	CRWJOQMZBQSRKT-OQPBUACISA-N	267.300	1.547	10	20	CDCD	
CON(C)C(=O)CNCc1cc(Cl)cc(Cl)c1O	397524794	PDMRSNPXFQSPHO-UHFFFAOYSA-N	293.150	1.808	10	20	CDCD	
CO[C@@H]1COC[C@@H]1NCc1ccc(N(C)C)cc1	839191789	FOGLLQZQSMLDKL-UONOGXRCSA-N	250.342	1.256	10	20	CDCD	
CN(C(=O)/C=C/c1cncc(F)c1)c1cnn(C)c1	173184133	LBXMIHAJNMZJNL-ONEGZZNKSA-N	260.272	1.630	10	20	CDCD	
CCOc1cccc(CN2CCC(CO)CC2)c1O	127064299	PWLKUXSJKWQENC-UHFFFAOYSA-N	265.353	1.995	10	20	CDCD	
CO[C@H](C)CN(C)Cc1ccc(N2CCOCC2)cc1	182022210	OOXMELGGLSOLJJ-CQSZACIVSA-N	278.396	1.990	10	20	CDCD	
CC[C@@H](COC)NC(=O)NCc1ccc(N(C)C)cc1	121345729	RYPBVXDXVGUWBD-ZDUSSCGKSA-N	279.384	1.977	10	20	CDCD	
CCNC(=O)NCc1ccc(N2CCOCC2)c(F)c1	48646563	OZDPOYIBKAHDQY-UHFFFAOYSA-N	281.331	1.481	10	20	CDCD	
C[C@H](O)C[C@@H](C)CNC(=O)NCc1ccc(N(C)C)cc1	133899847	GWCUIEIUHPUONP-OLZOCXBDSA-N	293.411	1.959	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)c2cnc(S)[nH]2)c1	193078750	RTFGWGMKOFUZFV-ZETCQYMHSA-N	293.348	1.904	10	20	CDCD	
C[C@H]1CN(Cc2ccc(N(C)C)cc2)C[C@@H]1C(=O)O	86774363	LHJOFYGOJCBXME-FZMZJTMJSA-N	262.353	1.905	10	20	CDCD	
CN[C@@H]1CCN(C(=O)NCc2ccc(N(C)C)cc2)C1	841656144	WTURSAUSZRYWGI-CYBMUJFWSA-N	276.384	1.256	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N2CC[C@@H](CO)C2)cc1F	265895815	ZUKZWZGJPSKLSG-GFCCVEGCSA-N	295.358	1.416	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)CS(C)(=O)=O	264119887	RNRAGLKYLNMFDX-UHFFFAOYSA-N	285.365	1.175	10	20	CDCD	
C[C@@H](NC[C@@H](C)N(C)C)c1cc([N+](=O)[O-])ccc1O	273599743	RSNMVBLUBPUDPO-NXEZZACHSA-N	267.329	1.901	10	20	CDCD	
C[C@@H]1CCN(C(=O)c2cccc(O)c2O)CC[S@@]1=O	277671919	WDYIYCFCLHMFTQ-HOGDKLEQSA-N	283.349	1.081	10	20	CDCD	
COc1cc(Cl)cc(CN(C)[C@@H]2COC[C@H]2O)c1O	289904436	WXILSUXGKKRPIU-GHMZBOCLSA-N	287.743	1.246	10	20	CDCD	
O=C(NCC1=CCCOC1)c1c(F)ccc(O)c1O	295630635	ZYSMRCDYQOHIHE-UHFFFAOYSA-N	267.256	1.313	10	20	CDCD	
Cc1ccc(O)c(CNCc2nc(C3CC3)n[nH]2)c1	294677446	BFUVALWTVPTIKN-UHFFFAOYSA-N	258.325	1.986	10	20	CDCD	
CC[C@H](NC(=O)c1cccc(O)c1O)C(OC)OC	298874019	GXMOQCGWOPPXKO-VIFPVBQESA-N	269.297	1.225	10	20	CDCD	
C[C@H](N)C[C@H](C)NC[C@@H](N)c1ccc(N(C)C)cc1	817940297	FVLKVLKKTMUXPJ-SLEUVZQESA-N	264.417	1.468	10	20	CDCD	
COCC1(C)CN(Cc2cccc(OC)c2O)C1	839145963	XPOVIRYGBYXUHT-UHFFFAOYSA-N	251.326	1.869	10	20	CDCD	
C[C@H]1CNCCN1Cc1ccc(N2CCOCC2)c(F)c1	843047501	QSHIQBGLJFUIOL-ZDUSSCGKSA-N	293.386	1.456	10	20	CDCD	
C[C@@H]1NC(=O)N(CCSc2nccs2)C1=O	840194104	UYPREYSLUJSXBB-LURJTMIESA-N	257.340	1.176	10	20	CDCD	
COc1ccc(CNC(=S)NCC2CC2)c(O)c1	849263077	NIBURUGUVQIQNX-UHFFFAOYSA-N	266.366	1.775	10	20	CDCD	
Nc1ccc(CCNC(=O)[C@@H]2CCCNCC2)cc1	846666196	SEHKXPNYWXKUCO-CYBMUJFWSA-N	261.369	1.317	10	20	CDCD	
Cc1n[nH]c(C)c1[C@H](C)NC(=O)c1cccc(O)c1O	910068761	JHOUEGNREJGEEW-ZETCQYMHSA-N	275.308	1.929	10	20	CDCD	
COC[C@H](O)CN(C)CCN(C)c1ccc(OC)cc1	844400354	ANCDDVCJWXNTSW-CQSZACIVSA-N	282.384	1.071	10	20	CDCD	
CCN(C)C[C@H](O)CN[C@@H](C)c1cc(OC)ccc1O	846843441	CMWMBOHDCOTSCW-NWDGAFQWSA-N	282.384	1.364	10	20	CDCD	
CC(C)[C@@H](C(=O)O)C(=O)NCc1ccccc1O	843329186	ZOPZKLVMGXGMEJ-LLVKDONJSA-N	251.282	1.365	10	20	CDCD	
COc1cccc([C@@H](C)NC[C@H](O)CN2CCCC2)c1O	846147057	VFUMGHUEJAHAGE-OLZOCXBDSA-N	294.395	1.508	10	20	CDCD	
C[C@@H](CN)NC(=O)NCc1c(O)ccc2c1CCCC2	841983129	NJJUHWYVRFLPEB-JTQLQIEISA-N	277.368	1.417	10	20	CDCD	
COc1cc(O)c(CN(C)[C@H](C)CN)cc1OC	843050941	CDYPQFKXRPFAAI-SECBINFHSA-N	254.330	1.188	10	20	CDCD	
CCn1cc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2O)nn1	850522261	KKJWFXQTANHPCC-SECBINFHSA-N	291.311	1.763	10	20	CDCD	
C[C@@H](NCCN1CC[C@H](O)C1)c1cc([N+](=O)[O-])ccc1O	858601599	GJBPHMAXGFLTAB-PWSUYJOCSA-N	295.339	1.018	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1cc(=O)cc[nH]1	932942854	HBVWVKBYMNPIPJ-UHFFFAOYSA-N	285.347	1.679	10	20	CDCD	
CN(C)c1ccc(CN2CCN3C(=O)CC[C@@H]3C2)cc1	769206500	NMYHTLVKGKCHIC-OAHLLOKOSA-N	273.380	1.559	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@H](NC(N)=O)C(C)(C)C)c1	862755997	OWXWECPDHMNGSN-LBPRGKRZSA-N	293.367	1.400	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@H]2CCCCS2(=O)=O)c1	862757115	IAKAJSZNVFDWBN-CYBMUJFWSA-N	297.376	1.284	10	20	CDCD	
CO[C@@H]1COCC[C@H]1CNCc1ccc(C)cc1O	877563762	PHGNIZAYXKGNCA-DZGCQCFKSA-N	265.353	1.842	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)c1cnc(C2CC2)o1	879208219	VYIFRALRAWVDIU-UHFFFAOYSA-N	288.303	1.936	10	20	CDCD	
CCOC(=O)C1(CNCc2c(O)cccc2OC)CC1	770665644	NDMCNGVKQWZWEO-UHFFFAOYSA-N	279.336	1.834	10	20	CDCD	
Cc1ccc(O)c(CNS(=O)(=O)NC(C)C)c1	1118821658	LMUBVFKKRLXJKJ-UHFFFAOYSA-N	258.343	1.033	10	20	CDCD	
CNS(=O)(=O)[C@@H]1CCCN(Cc2ccc(C)cc2O)C1	876735529	DPFCLCLIXOUDRJ-CYBMUJFWSA-N	298.408	1.214	10	20	CDCD	
Cc1ccc(CN[C@H](CO)c2cnn(C)c2)c(O)c1	877123982	QNBWKPALMJZEME-CYBMUJFWSA-N	261.325	1.257	10	20	CDCD	
CCC(CC)[C@@H](O)CNC(=O)NCc1ccc(N)cc1	1120682003	SWQSQLDTXPULHW-AWEZNQCLSA-N	279.384	1.865	10	20	CDCD	
CC[C@@H](CO)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	779834345	DPKYQGDXIISWDR-KOLCDFICSA-N	267.325	1.164	10	20	CDCD	
C[C@H]1C[C@H](O)CN1C(=O)NCc1ccc(N(C)C)c(F)c1	788314204	SEOULGZOAWPMRZ-JQWIXIFHSA-N	295.358	1.556	10	20	CDCD	
Cc1ccc(C(=O)NCCNc2cnccn2)c(O)c1O	780909690	SMFPFJXLAJNTNZ-UHFFFAOYSA-N	288.307	1.038	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@H](N)C[C@@H]1C	891564949	NOADHEBTGFAXST-GXTWGEPZSA-N	290.411	1.692	10	20	CDCD	
CSC[C@@H](NCc1ccc(N(C)C)cc1)C(=O)O	1331996259	QPELVPAKLWLUSP-GFCCVEGCSA-N	268.382	1.658	10	20	CDCD	
COC[C@@H](NCc1ccc(N2CCCC2)cc1)C(=O)OC	1255649310	PBRGNACOPFYIRQ-OAHLLOKOSA-N	292.379	1.564	10	20	CDCD	
C[C@]1(NC(=O)NCc2ccc(N)cc2)CCCOC1	1335738185	XCPHKYSBKWQVLT-AWEZNQCLSA-N	263.341	1.637	10	20	CDCD	
Nc1ccc(CNC(=O)N[C@@H]2CCCSC2)cc1	1353365678	GTASIMQXVJDREJ-GFCCVEGCSA-N	265.382	1.964	10	20	CDCD	
Cc1ccc(C(=O)N2CCC[C@@](C)(C(=O)O)C2)c(O)c1O	1600332214	BVWSOSROAOGSIR-OAHLLOKOSA-N	293.319	1.733	10	20	CDCD	
CCOc1cccc(CN2CCC[C@@H](O)[C@@H]2C(=O)O)c1O	1610044680	HKOMVASQVKHBFN-DGCLKSJQSA-N	295.335	1.201	10	20	CDCD	
N[C@H]1Cc2ccccc2N(C(=O)/C=C/c2cncc(O)c2)C1	1580207534	VPAZNFROTHOIQZ-GJBLVYBDSA-N	295.342	1.717	10	20	CDCD	
CCCN(CC(=O)O)C(=O)/C=C\c1ccc(O)c(O)c1	1589662284	AXKRGUQZAUYIHG-XQRVVYSFSA-N	279.292	1.434	10	20	CDCD	
CN(Cc1cnc(C(=O)O)cn1)Cc1ccccc1O	1598532944	LFHJSQULHNJOTL-UHFFFAOYSA-N	273.292	1.512	10	20	CDCD	
CCN(C)c1ccc(CN[C@@H]2COC[C@@H]2C(=O)O)c(C)c1	1776856616	PMBXPCZOYFJFNE-LSDHHAIUSA-N	292.379	1.640	10	20	CDCD	
COc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1O	154994902	OZIDUBZAWUBFLA-LLVKDONJSA-N	264.325	1.098	10	20	CDCD	
Oc1ccc(Cl)cc1CN1CCN([C@H]2CCNC2)CC1	312416411	SMJHOJIEKQKFQA-AWEZNQCLSA-N	295.814	1.525	10	20	CDCD	
Oc1ccc(Cl)cc1CNCCN1CCC(O)CC1	321131009	CAJHALAMKXRHTD-UHFFFAOYSA-N	284.787	1.592	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)C[C@H]1CCS(=O)(=O)C1	383682499	ZQYAMBLMIUESHP-LLVKDONJSA-N	297.376	1.175	10	20	CDCD	
COc1ccc(O)c(CN[C@@H](C)c2n[nH]c(C)n2)c1	392362338	CPPSJSJKROAHMD-QMMMGPOBSA-N	262.313	1.678	10	20	CDCD	
Cc1ccc(O)c(CN2CCC[C@H](OCCO)C2)c1	179578971	KVGYASHYMKFKDR-AWEZNQCLSA-N	265.353	1.674	10	20	CDCD	
CCOc1cccc(CN(C)[C@@H]2CCCCNC2=O)c1O	123892164	QBMVMBKXEJDVTN-CYBMUJFWSA-N	292.379	1.891	10	20	CDCD	
Cc1ccc(C(=O)NC[C@]2(C)CCCO2)c(O)c1O	182587040	RLKYDZHLGJLRRR-AWEZNQCLSA-N	265.309	1.705	10	20	CDCD	
CN1CCN(Cc2c(O)cccc2Cl)CC1=O	127370837	DAMPLWMJSRBRJM-UHFFFAOYSA-N	254.717	1.320	10	20	CDCD	
CC(C)NC(=O)CCN[C@@H](C)c1ccccc1O	135719853	HEVXUHLGHLOZGV-NSHDSACASA-N	250.342	1.958	10	20	CDCD	
C[C@H]1[C@@H](C)S(=O)(=O)CCN1Cc1ccccc1O	179578005	DZNCMRCKHZVIPK-WDEREUQCSA-N	269.366	1.400	10	20	CDCD	
COC[C@@H](CO)N[C@H](C)c1ccc(N(C)C)cc1	234899997	LMPBDKRPRPPPJI-DGCLKSJQSA-N	252.358	1.411	10	20	CDCD	
CCC[C@@H](O)CN[C@@H](C)c1cc(C(=O)OC)ccc1O	273557790	HHRUNZQETUINHH-CMPLNLGQSA-N	281.352	1.990	10	20	CDCD	
C[C@H](O)CN1CCN(Cc2ccccc2O)[C@H](C)C1	284332126	KUHHIEJUGIUWPL-OLZOCXBDSA-N	264.369	1.279	10	20	CDCD	
CCNC(=O)[C@@H](NCc1cccc(C)c1O)C(C)C	293631119	LKJKTCPXPSELOX-ZDUSSCGKSA-N	264.369	1.951	10	20	CDCD	
CCn1ncnc1COC(=O)c1cc(O)cs1	801262098	JWRMKEZFVNEPJZ-UHFFFAOYSA-N	253.283	1.422	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CC1(F)F	295771342	PVMMSSKXIUGFMI-APPZFPTMSA-N	271.263	1.800	10	20	CDCD	
Oc1ccc(CNCc2ccc(N3CCOCC3)cc2)cn1	392950651	NTEILGUPIGQOKG-UHFFFAOYSA-N	299.374	1.914	10	20	CDCD	
Nc1ccc(CCN[C@@H](C2CC2)[C@@H]2CNCCO2)cc1	817958841	ZOEIOAIPAOSHKF-HOTGVXAUSA-N	275.396	1.168	10	20	CDCD	
Oc1cccc2c1[C@@H](NC[C@@H]1C[C@H](F)CN1)CC2	817976797	UIZQYVAGVBKTTC-SRVKXCTJSA-N	250.317	1.669	10	20	CDCD	
CC[C@H](C)OCC(=O)NCCc1ccc(N)cc1	818545323	XZPOXXUHJHSRGS-NSHDSACASA-N	250.342	1.743	10	20	CDCD	
Cc1cc(O)c(CN2C[C@H](CO)OC(C)(C)C2)cc1C	817412305	IOEHEQHSINSJSZ-CQSZACIVSA-N	279.380	1.981	10	20	CDCD	
Cc1nc(CC(=O)NCc2ccc(N3CCCC3)cc2)n[nH]1	821842137	IWTLMAQTXCNRKY-UHFFFAOYSA-N	299.378	1.572	10	20	CDCD	
Cc1cc(O)c(CN2CC[C@H](O)[C@@H](CO)C2)cc1Cl	826123031	CQEHHTFZHVFDHN-YPMHNXCESA-N	285.771	1.529	10	20	CDCD	
CC(C)(CCC(=O)NCCc1ccc(O)c(O)c1)[N+](=O)[O-]	827085847	ZUBQJWBKBFSSCY-UHFFFAOYSA-N	296.323	1.592	10	20	CDCD	
CC[C@H](O)[C@@H](C)C(=O)NCc1cccc(OC)c1O	901127546	KNWNDAZROUSRGA-KOLCDFICSA-N	267.325	1.424	10	20	CDCD	
CO[C@H]1CCCN(C(=O)c2c(F)ccc(O)c2O)CC1	828241106	HROMZMVKYLBDGZ-VIFPVBQESA-N	283.299	1.878	10	20	CDCD	
COc1cc(O)c(CN2CCC(C(=O)O)CC2)cc1OC	820774754	IDTDNQGXWVQVIO-UHFFFAOYSA-N	295.335	1.706	10	20	CDCD	
CCN1CCC(CNC(=O)c2c(F)ccc(O)c2O)CC1	825536154	LHPUHKRIBUNYGB-UHFFFAOYSA-N	296.342	1.699	10	20	CDCD	
CCOc1ccc(O)c(CN2CC[C@H](CCN)C2)c1	904406731	VFXTUPASMMMCFD-LBPRGKRZSA-N	264.369	1.962	10	20	CDCD	
O=C1CC[C@H](C(=O)NCCc2ccc(O)c(O)c2)C1	843833131	PICGQPOJKMIGQQ-JTQLQIEISA-N	263.293	1.126	10	20	CDCD	
N[C@H](CNCc1cccc(Br)c1O)C1CC1	841048915	GQWYIPBJEIELPJ-LLVKDONJSA-N	285.185	1.982	10	20	CDCD	
C[C@@H]1C[C@@H](NC(=O)N(C)Cc2ccccc2O)CCN1	841990075	XYELTMKXIIZFBK-YPMHNXCESA-N	277.368	1.674	10	20	CDCD	
CC[C@H](O)[C@@H](C)C(=O)NCc1cc(C)ccc1O	913000297	GLLOZUCPTPLPCY-PWSUYJOCSA-N	251.326	1.724	10	20	CDCD	
C[C@@H](N)[C@H]1CN(Cc2cccc(Cl)c2O)CCO1	843058300	RGCFOIRCBQDPAT-BXKDBHETSA-N	270.760	1.594	10	20	CDCD	
CCc1nnsc1C(=O)NCc1ccc(O)cc1O	910957102	IYWMSNMBNAZDDQ-UHFFFAOYSA-N	279.321	1.442	10	20	CDCD	
CCN(CCS(C)(=O)=O)Cc1ccc(N(C)C)cc1C	840917567	UWKUFMUILFZAGZ-UHFFFAOYSA-N	298.452	1.928	10	20	CDCD	
COc1ccc(N(C)CCN(C)C(=O)[C@@H](O)C2CC2)cc1	855020377	OGPIEODKWHLOPU-HNNXBMFYSA-N	292.379	1.361	10	20	CDCD	
CO[C@H](C)CCNC(=O)NCc1cc(C)ccc1O	858195613	YHIFVVCTTNFCIA-LLVKDONJSA-N	266.341	1.925	10	20	CDCD	
CON(C)CCNC(=O)NCc1ccc(N(C)C)cc1	853244351	JATXPVVPRJHTPM-UHFFFAOYSA-N	280.372	1.045	10	20	CDCD	
C[C@@H]1CCN(C(=O)c2cc(O)cs2)C[C@H]1CO	857365028	MWEXHRUPXNZBOM-BDAKNGLRSA-N	255.339	1.544	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)/C=C/CN2CCOCC2)c1	869412114	ZDZSLUUGXUGPEU-NSCUHMNNSA-N	290.363	1.205	10	20	CDCD	
OC[C@H]1CCN(Cc2c(O)cccc2Br)C1	862237815	XAUJVCBCUZUILP-VIFPVBQESA-N	286.169	1.969	10	20	CDCD	
CCOC[C@H]1CN(Cc2c(C)cccc2O)CCO1	877655541	BMTHROKDGMZKIF-CYBMUJFWSA-N	265.353	1.938	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCOC2(CCC2)C1	766251751	FDWXNTJMYMYUCB-UHFFFAOYSA-N	253.323	1.849	10	20	CDCD	
Cc1ccc(CN(C)[C@H](C)CN2CCOCC2)c(O)c1	877484445	AXLQFPZQINNLAG-CQSZACIVSA-N	278.396	1.853	10	20	CDCD	
Cc1cccc(O)c1CN1CCN(C[C@H]2CCCO2)CC1	876541516	FWHYUVUZNCHGII-OAHLLOKOSA-N	290.407	1.997	10	20	CDCD	
Cc1ccc(CN2CCN(c3ncccn3)CC2)c(O)c1	876528595	ZQXWMTVPWIRFOW-UHFFFAOYSA-N	284.363	1.813	10	20	CDCD	
CC[C@@](C)(O)Cn1cc(COc2ccc(N)cc2)nn1	881412983	ILSCKXZPTHPYKM-CQSZACIVSA-N	276.340	1.600	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCc2ncncc2C1	883034729	FGWFDPGNUOTASD-UHFFFAOYSA-N	261.306	1.442	10	20	CDCD	
COC[C@](C)(O)CNCc1cc(Cl)cc(F)c1O	776174055	FRHRHWQVIGHQFN-GFCCVEGCSA-N	277.723	1.672	10	20	CDCD	
C[C@@H]1C[C@H]1C(=O)NCc1ccc(N2CCN(C)CC2)cc1	881849730	VEXMUDIWKGQPST-CZUORRHYSA-N	287.407	1.711	10	20	CDCD	
C[C@H](CO[C@@H]1CCOC1)NCc1cc(F)cc(F)c1O	883034091	LOFPEUANLLTQHA-BXKDBHETSA-N	287.306	1.954	10	20	CDCD	
Cc1nc(CNC(=O)c2cc(O)cs2)[nH]c1C	896920763	RJERUOIPYKQRLF-UHFFFAOYSA-N	251.311	1.724	10	20	CDCD	
COc1cccc(CN2CCC3(CC2)CNC(=O)O3)c1O	783722415	CNHUBKFKRNQUKH-UHFFFAOYSA-N	292.335	1.475	10	20	CDCD	
COC[C@H]1CN(Cc2cc(F)cc(F)c2O)C[C@@H](C)O1	894531906	BFVQLMULHAPFGF-BXKDBHETSA-N	287.306	1.906	10	20	CDCD	
CC(=O)N1CCC[C@H](CNC(=O)c2cccc(O)c2O)C1	794023485	SNGNNPHQXIOJEL-LLVKDONJSA-N	292.335	1.086	10	20	CDCD	
O=C1CC[C@@H]2CN(Cc3c(O)ccc(Cl)c3F)CCN12	792165588	SNFIZZCTZICHIV-SECBINFHSA-N	298.745	1.991	10	20	CDCD	
COc1ccc(CNC(=O)CCc2cnc[nH]2)c(O)c1	794373281	IXTZYJGTBPCQDP-UHFFFAOYSA-N	275.308	1.373	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@H]1C[C@@H](C(=O)O)C1	1346336951	PHMLKWUNKZMYQA-PHIMTYICSA-N	263.293	1.461	10	20	CDCD	
CN(Cc1ccc(N2CCCC2)cc1)[C@@]1(CO)CCOC1	1329066430	GSCTZHOMCLPVKA-QGZVFWFLSA-N	290.407	1.870	10	20	CDCD	
CC(=O)N[C@H](CC(C)C)C(=O)N(C)c1ccc(N)cc1	704362561	KYWLKSTYXNGGME-CQSZACIVSA-N	277.368	1.782	10	20	CDCD	
CNC[C@@H](C)CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1	1327480708	MVIQJCAFENKAQK-OLZOCXBDSA-N	292.427	1.968	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@@H]1[C@H]2CCCO[C@H]21	780380766	WWPSJDFIHNOMQL-MRVWCRGKSA-N	261.321	1.776	10	20	CDCD	
CSC[C@@H](NCc1cc(F)cc(F)c1O)C(=O)O	1332017351	KSSACOSUOOUTLM-SECBINFHSA-N	277.292	1.576	10	20	CDCD	
CC1(NC(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1	1337049176	AMXCJESENKKCDT-UHFFFAOYSA-N	284.337	1.046	10	20	CDCD	
NCCCSCCC(=O)NCc1ccccc1O	1340959503	ZDYRNHBZMNYNOW-UHFFFAOYSA-N	268.382	1.481	10	20	CDCD	
Nc1ccc(CNC(=O)C2CCN(CC(F)F)CC2)cc1	1346210111	ODVVKYHWECAJBY-UHFFFAOYSA-N	297.349	1.862	10	20	CDCD	
OCC1CCN(CCN[C@@H]2CCc3cccc(O)c32)CC1	1347934599	CVRJVTRFEQWPFZ-OAHLLOKOSA-N	290.407	1.673	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NCCCCC(=O)O)c1	1340567457	WHQNBXOBANSLPO-UHFFFAOYSA-N	280.324	1.755	10	20	CDCD	
Cc1cccc(NCCNC(=O)Cc2ccc(N)cc2)n1	1521812599	LZMWOEDEYRHCBR-UHFFFAOYSA-N	284.363	1.743	10	20	CDCD	
CN(CC(=O)N1CCCC1)c1ccc(OCC(=O)O)cc1	1606076121	MTCHRKVHSRFRIZ-UHFFFAOYSA-N	292.335	1.209	10	20	CDCD	
COc1ccc(O)c([C@H](C)NCC2(O)CCC2)c1	163993550	ITQHYIOTLLVXQD-JTQLQIEISA-N	251.326	1.966	10	20	CDCD	
COc1cccc(O)c1CN1CC[C@H](N)[C@H](C)C1	843051937	MYFNSAYZHWWWLZ-PWSUYJOCSA-N	250.342	1.570	10	20	CDCD	
COc1cccc(CN2CCC[C@@H](C)[C@@H]2CN)c1O	226338766	BILZQOTXMNOBLR-YPMHNXCESA-N	264.369	1.960	10	20	CDCD	
CN1CCC[C@@H](N(C)C(=O)c2cccc(O)c2O)C1	126385611	ICGNMHWYTDXVHZ-SNVBAGLBSA-N	264.325	1.264	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC2CCS(=O)CC2)c1	158010402	PCRDIPZNCDFNHF-LAXVZRPASA-N	283.393	1.963	10	20	CDCD	
CC[C@@H]1NCC[C@H]1C(=O)NCc1ccc(N(C)C)cc1	289463687	ACNSJPLNGSBQGT-CABCVRRESA-N	275.396	1.757	10	20	CDCD	
CNC(=O)C[C@@H](C)NCc1ccc(OC)c(C)c1	322675410	GUPOLWANQMXJEZ-LLVKDONJSA-N	250.342	1.618	10	20	CDCD	
CN(CC(=O)NC(=O)NC(C)(C)C)c1ccc(N)cc1	702072097	ZPWRMWHFDRBZNS-UHFFFAOYSA-N	278.356	1.329	10	20	CDCD	
C[C@@H](C[S@](C)=O)NCc1cc(F)cc(F)c1O	708494380	HRYCXVOHZHBIAY-SKLCBMLGSA-N	263.309	1.527	10	20	CDCD	
CCN1C[C@H](NCc2ccc(OC)c(C)c2)CC1=O	391479533	MXMMDZQTWFLHFR-CYBMUJFWSA-N	262.353	1.714	10	20	CDCD	
C[C@@H](Cn1cncn1)NCc1ccc2c(c1)CCO2	67504767	ROJZWRRQVXGYCQ-NSHDSACASA-N	258.325	1.391	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)CC1(O)CCOCC1	178709661	RYUGNGZZNPLZGQ-UHFFFAOYSA-N	278.396	1.726	10	20	CDCD	
COc1cc(O)c(CN2CC[C@H](O)[C@H](C)C2)cc1OC	190045940	MHJGXWXKKDRSNZ-PWSUYJOCSA-N	281.352	1.612	10	20	CDCD	
O=C(O)[C@H]1CCCN(Cc2cc(F)ccc2O)C1	236454727	UFTXMGIHNJHNHG-VIFPVBQESA-N	253.273	1.828	10	20	CDCD	
CCOc1cccc(CN2CCC[C@H]2CO)c1O	92455759	IPAOLGXINSQZSH-LBPRGKRZSA-N	251.326	1.748	10	20	CDCD	
C[C@@H](CNC(=O)NCc1ccccc1O)N(C)C1CC1	264302476	OIQDUOUPCOPXGK-NSHDSACASA-N	277.368	1.674	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNC2(C)CCOCC2)c1O	278110433	BJRBAQZTBCELLV-UHFFFAOYSA-N	296.323	1.968	10	20	CDCD	
COc1ccc(O)c(CN2CC[S@](=O)[C@H](C)[C@@H]2C)c1	271832606	PEACBPYFQVZLNT-QQKBFRNYSA-N	283.393	1.742	10	20	CDCD	
Cc1ccc([C@H](C)NCc2ncn(C)n2)c(O)c1C	273505284	QYLKLYHZWBSOAL-NSHDSACASA-N	260.341	1.988	10	20	CDCD	
CC(C)(C)S(=O)(=O)CC(=O)NCc1ccccc1O	271246397	QPXDBOUPFNXNNC-UHFFFAOYSA-N	285.365	1.222	10	20	CDCD	
COCCn1cc(CNC(=O)c2cc(O)cs2)cn1	800696102	FDUQDLGDEMYECX-UHFFFAOYSA-N	281.337	1.227	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H](CO)C1CCCC1	291935842	CKLQRIZLDKQSCS-CFNZNRNTSA-N	291.347	1.778	10	20	CDCD	
CN(CCF)C(=O)/C=C/c1ccc(N2CCOCC2)cc1	293818607	FZUHPFQRMOIEBK-QPJJXVBHSA-N	292.354	1.964	10	20	CDCD	
Cc1nnc(CC(=O)N[C@H](C)c2ccccc2O)o1	827946697	OZBXWEPLAAHUCU-MRVPVSSYSA-N	261.281	1.504	10	20	CDCD	
C[C@@]1(C(=O)NCc2ccc(O)cc2O)CCCOC1	828912074	QMNWKUVPRIPAJY-CQSZACIVSA-N	265.309	1.531	10	20	CDCD	
COC(=O)C[C@@H](C)C(=O)N[C@H](C)c1ccccc1O	827937311	RLDAZOWIPZDKQQ-NXEZZACHSA-N	265.309	1.769	10	20	CDCD	
C[C@@H](CN)C(=O)NCc1c(O)ccc2c1CCCC2	830597281	DKKLZPUWLRJGSH-JTQLQIEISA-N	262.353	1.482	10	20	CDCD	
O=C(O)[C@H](O)C1CCN(Cc2cccc(Cl)c2O)CC1	833771192	XPSAXOBPKIQFIM-CYBMUJFWSA-N	299.754	1.703	10	20	CDCD	
CCOC(=O)[C@@H](CC1CC1)NC(=O)c1cccc(O)c1O	832645617	MRUHBPIOOBHIOI-LLVKDONJSA-N	293.319	1.559	10	20	CDCD	
NC(=O)c1cccc(COC(=O)c2cc(O)cs2)c1	732354178	GEGHUKNFOBWOCP-UHFFFAOYSA-N	277.301	1.910	10	20	CDCD	
O=C(NCCc1cn2c(n1)CCCC2)c1cc(O)cs1	732267559	KMIZECSKZAYKFT-UHFFFAOYSA-N	291.376	1.959	10	20	CDCD	
CCC(=O)N[C@H](C)C(=O)NCc1ccc(N(C)C)cc1C	734471955	XZQPVHWTNCKEOQ-GFCCVEGCSA-N	291.395	1.592	10	20	CDCD	
COc1ccc2c(c1)CCCN2CN1C[C@@H]2C[C@@H]2C1=O	902194863	JYEDTVJEEDBWGW-JSGCOSHPSA-N	272.348	1.884	10	20	CDCD	
O=C(OC[C@@H]1C[C@H]2CC[C@H]1O2)c1cccc(O)c1O	837648708	VFGGAKJHURJEMO-YGOYTEALSA-N	264.277	1.822	10	20	CDCD	
CN(C)c1ccc([C@H](N)CNC(=O)CC(C)(C)CN)cc1	911666103	HHKSUBGHMHCJEE-CQSZACIVSA-N	292.427	1.244	10	20	CDCD	
O=C(NC[C@@H](CO)Cc1cccnc1)c1cc(O)cs1	834411110	GOUAGYZBWOUWMZ-NSHDSACASA-N	292.360	1.430	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)[C@]1(Cl)C[C@H]2CC[C@H]1O2	910955442	FCCPOIYADZVJLC-QKCSRTOESA-N	297.738	1.643	10	20	CDCD	
Cc1cccc(CN2C[C@@H](CN)C3(CCOCC3)C2)c1O	843125046	MCWHSQYXBDDVDA-OAHLLOKOSA-N	290.407	1.888	10	20	CDCD	
COc1ccc(O)c(CN2CCC[C@@H](CO)[C@H]2C)c1	840977848	KLSNYKGFOHXXBF-NEPJUHHUSA-N	265.353	1.994	10	20	CDCD	
C[C@]1(c2nc(Cc3ccc(N)cc3)no2)CCOC1	843159240	NLBBDCVZUNOMFD-AWEZNQCLSA-N	259.309	1.921	10	20	CDCD	
C[C@@H](NC[C@]1(O)CCN(C)C1)c1ccc(Cl)cc1O	841752219	NBITWEQFAKIDFJ-QMTHXVAHSA-N	284.787	1.763	10	20	CDCD	
COC/C=C\C(=O)NCc1cc(Cl)ccc1O	846474019	QFZVIXJTTBLFML-IHWYPQMZSA-N	255.701	1.864	10	20	CDCD	
COc1cc(O)c(CNCCCNC2CC2)cc1OC	841091786	FZAPWDHDDRZPAA-UHFFFAOYSA-N	280.368	1.641	10	20	CDCD	
COc1ccc(N(C)CCN(C)[C@@H]2CCN(C)C2=O)cc1	844400457	BZTHMGNUIPOKEY-OAHLLOKOSA-N	291.395	1.294	10	20	CDCD	
CCN(CC)C[C@H](C)NC(=O)C(=O)Nc1ccc(N)cc1	841023057	OQYMJSXHLRDWTM-NSHDSACASA-N	292.383	1.054	10	20	CDCD	
COc1nccc(/C=C2/SC(=S)N(C3CC3)C2=O)n1	841494970	GNBRUIAOQIIFPF-RMKNXTFCSA-N	293.373	1.849	10	20	CDCD	
C[C@H](NCCOCCF)c1cc([N+](=O)[O-])ccc1O	853238384	HTINKXATWSJWIS-VIFPVBQESA-N	272.276	1.937	10	20	CDCD	
Nc1ccc(CCNC(=O)NCC2(N)CCCC2)cc1	851662166	AZXYTYRRUKWNLA-UHFFFAOYSA-N	276.384	1.382	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@@H](C)OC[C@@H]2CCCO2)c1	862758868	OTJSRRNHXHUBSV-OCCSQVGLSA-N	293.363	1.901	10	20	CDCD	
Cn1ccc(CCNC(=O)NCc2ccccc2O)n1	760687928	VXFDZLBVCZCUEC-UHFFFAOYSA-N	274.324	1.168	10	20	CDCD	
CCOc1cccc(CN2CCC(NCCO)CC2)c1O	873217657	NUECZGBRTDYWHM-UHFFFAOYSA-N	294.395	1.337	10	20	CDCD	
CSC[C@H](CCO)NCc1c(C)cccc1O	877050785	DSDHJVGRSIIPPJ-NSHDSACASA-N	255.383	1.904	10	20	CDCD	
CN1CCN(c2ccc(CN3CCC[C@@H]3CO)cc2)CC1	775648026	MXRZDBASFGPJQC-QGZVFWFLSA-N	289.423	1.395	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)NCCC(C)(C)O)c1	773694216	ISPLGYIPHWQTPS-SNVBAGLBSA-N	296.367	1.922	10	20	CDCD	
C[C@H](NC(=O)N(C)Cc1ccccc1O)c1ncn(C)n1	780694064	CAAQCPNDEPLVKU-JTQLQIEISA-N	289.339	1.423	10	20	CDCD	
COc1ccc(CN[C@H]2C(=O)NCC[C@H]2C)c(O)c1OC	894255459	ZDSPNDCBRUUGHA-BXKDBHETSA-N	294.351	1.024	10	20	CDCD	
C[C@@H]1OCC[C@]12CN(C(=O)c1cc(O)cs1)CCO2	792674441	QIUDXXVFLZXXSQ-ZANVPECISA-N	283.349	1.474	10	20	CDCD	
CC[C@@H](NC(C)=O)C(=O)N(C)Cc1ccccc1O	709062376	WXHGJZGXPOYZJY-GFCCVEGCSA-N	264.325	1.265	10	20	CDCD	
C[C@]1(CO)CCCN1C(=O)NCc1ccc(N)cc1	1262603870	XSNKEGLWZKQFFL-CQSZACIVSA-N	263.341	1.325	10	20	CDCD	
O=C(NC1CC1)[C@H]1CCCN(C(=O)c2cc(O)cs2)C1	1350553407	PZHSMEFUKHEVLF-VIFPVBQESA-N	294.376	1.585	10	20	CDCD	
CON(C(=O)/C=C/c1ccc(O)c(O)c1)[C@@H](C)CC(=O)O	1606986025	YVQUOYXNOXSNRT-DNQSNQRASA-N	295.291	1.364	10	20	CDCD	
CCC[C@H](C)C(=O)NCCNCc1ccc(N)cc1	1577336848	XXZCTNZMBGFTFX-LBPRGKRZSA-N	263.385	1.911	10	20	CDCD	
Oc1cc(F)c(F)cc1CNC[C@@H]1CCC2(CNC2)O1	1580887920	BBBRNVNWPQXCQK-JTQLQIEISA-N	284.306	1.281	10	20	CDCD	
C[C@@H](Sc1ncc(C(=O)O)s1)C(=O)NC1CC1	1593679789	PCEBZDXXWMOEBY-RXMQYKEDSA-N	272.351	1.601	10	20	CDCD	
C[C@@H](NCCCN(C)C)c1cc(C(=O)O)ccc1O	1593264732	MIMYQWGLQPXQIJ-SNVBAGLBSA-N	266.341	1.693	10	20	CDCD	
CCCn1ccc(CNCc2ccc(C(=O)O)cc2O)n1	1776844339	YHYUSVXGTVISEL-UHFFFAOYSA-N	289.335	1.987	10	20	CDCD	
Nc1ccc(CNC(=O)c2cnn3c2CCC3)cc1	1122535933	MACZTLOLOZJIFV-UHFFFAOYSA-N	256.309	1.342	10	20	CDCD	
COC(=O)[C@@H](C)NCc1ccc(N2CCCC2)cc1	48174027	ZPCJYLOCXCRWON-GFCCVEGCSA-N	262.353	1.938	10	20	CDCD	
CN1CC[C@@]2(CCN(C(=O)c3cccc(O)c3O)C2)C1	293949675	SAUZZKQVMDXOOV-OAHLLOKOSA-N	276.336	1.266	10	20	CDCD	
C[C@H]1[C@@H](NCc2c(O)cccc2Cl)CCS1(=O)=O	294057294	XMZFVJFLJXCWRV-KWQFWETISA-N	289.784	1.711	10	20	CDCD	
O=S(=O)(Nc1ccc(O)cc1F)c1ccco1	783532206	LQUWRSRMODEULS-UHFFFAOYSA-N	257.242	1.925	10	20	CDCD	
COCC(C)(C)NC(=O)NCc1ccc(N(C)C)cc1	106501078	OPKJRCZIVWTRIS-UHFFFAOYSA-N	279.384	1.977	10	20	CDCD	
CCN1C[C@H](C(=O)NCc2ccc(N(C)C)cc2)CC1=O	28894853	OWZUWKFKWDZHNO-CYBMUJFWSA-N	289.379	1.237	10	20	CDCD	
CC(C)(C)C[C@@H](NC(=O)Cc1ccc(N)cc1)C(=O)O	401280705	RNYFVSIXDMIQPO-GFCCVEGCSA-N	278.352	1.817	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C1(O)CCCCC1	186385089	RJOFQBPVPBWPTN-NSHDSACASA-N	293.363	1.840	10	20	CDCD	
Cc1cc(O)c(CN[C@H]2C(=O)NCC[C@H]2C)cc1C	193674519	LVPQLTGFFHQNIK-YMTOWFKASA-N	262.353	1.623	10	20	CDCD	
CC(C)N1CC[C@@H](N[C@H]2CCc3cccc(O)c32)C1=O	297002646	SUPDBABVRGRJES-QWHCGFSZSA-N	274.364	1.978	10	20	CDCD	
C[C@H](O)C(=O)NCc1cccc(Br)c1O	277540908	NGWDUMKUBJGUFO-LURJTMIESA-N	274.114	1.152	10	20	CDCD	
Cc1ncc2c(n1)CC[C@@H](NC(=O)c1cccc(O)c1O)C2	363918370	HTPDZPKWKYFAIO-LLVKDONJSA-N	299.330	1.484	10	20	CDCD	
OC[C@@H]1[C@H]2CN(Cc3cc(Cl)ccc3O)C[C@H]21	367839696	MYCFPSQPRQPEKT-GDNZZTSVSA-N	253.729	1.716	10	20	CDCD	
C[C@H](CO)CCCNC(=O)N(C)Cc1ccccc1O	270513279	LSULUQGWEOBDFF-LBPRGKRZSA-N	280.368	1.942	10	20	CDCD	
CC[C@H](COC)NCc1ccc([N+](=O)[O-])c(OC)c1O	278310041	DXSUJIIDQLLLCP-SNVBAGLBSA-N	284.312	1.824	10	20	CDCD	
CC(C)[C@@H](O)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	285716631	FHDMFWHBKLYXTB-TVQRCGJNSA-N	267.325	1.162	10	20	CDCD	
C[C@@H](CC(C)(C)O)NC(=O)/C=C/c1ccc(O)c(O)c1	296790602	DOLPJKDZALDQJQ-STUBTGCMSA-N	279.336	1.777	10	20	CDCD	
Cc1ccc(C(=O)N2CCC[C@@H](CO)CC2)c(O)c1O	294695596	WZFUJHQMNRCYOF-LLVKDONJSA-N	279.336	1.641	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)NCC2=CCNCC2)c1	817968946	ZUAWJBHZRJNERJ-NSHDSACASA-N	290.363	1.749	10	20	CDCD	
COc1ccc(CNC(=O)N[C@@H]2CO[C@@H](C)C2)c(O)c1	827617975	MOPNLSPKIQJKSG-ONGXEEELSA-N	280.324	1.377	10	20	CDCD	
CC1(C)CNC(=O)[C@H]1NCc1cc(Cl)c(F)cc1O	828304233	JKDOJFPPMJDOLR-LLVKDONJSA-N	286.734	1.799	10	20	CDCD	
CNc1nnc(CC(=O)N[C@H](C)c2ccccc2O)s1	827940903	KMXBJMUDMXZVFO-MRVPVSSYSA-N	292.364	1.705	10	20	CDCD	
CC[C@@H](C)[C@H](N)C(=O)NCc1ccc(OC)cc1O	832178443	SCUHKVGKCYACOT-RNCFNFMXSA-N	266.341	1.390	10	20	CDCD	
COC1(C)CN(Cc2cc3c(cc2O)OCO3)C1	839101486	DGCJGJPAKZIIMG-UHFFFAOYSA-N	251.282	1.342	10	20	CDCD	
C[C@@H](C(=O)NCCc1ccc(N)cc1)c1cnn(C)c1	832659048	JBYWWZNEROXKGS-LLVKDONJSA-N	272.352	1.465	10	20	CDCD	
CC(C)NC(=O)CN(C)Cc1c(O)ccc2ccncc12	835059107	XVUVEHDSVRFOCI-UHFFFAOYSA-N	287.363	1.897	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)c2cc3n(n2)CCCC3=O)c1	913000824	WNAYXMVWBFKUHL-UHFFFAOYSA-N	299.330	1.804	10	20	CDCD	
CNC(=O)CCCN[C@H](C)c1cccc(OC)c1O	846141719	MXZCCDWRERCYOM-SNVBAGLBSA-N	266.341	1.578	10	20	CDCD	
CSCC[C@@H](C)N(C)C(=O)C(=O)Nc1ccc(N)cc1	841043616	XXTFWJVSUSUKSP-SNVBAGLBSA-N	295.408	1.807	10	20	CDCD	
C[C@@H](O)C[C@H]1CCCN1C(=O)NCCc1ccc(N)cc1	841958970	JFWAKCLANQMNCK-IUODEOHRSA-N	291.395	1.756	10	20	CDCD	
NCC[C@@H](NCc1cc2c(cc1O)OCO2)C(F)F	841073553	ZDUDNBLQWPNBLW-MRVPVSSYSA-N	274.267	1.193	10	20	CDCD	
CCN(C)c1ccc(CN(C)[C@H]2CCS(=O)(=O)C2)cc1	741753096	MZRBDNFAWMDFTA-HNNXBMFYSA-N	296.436	1.762	10	20	CDCD	
COc1cc(O)c(CN[C@@H](C)C(=O)NC(C)C)cc1OC	840975455	YLAVQDPOLFXONL-JTQLQIEISA-N	296.367	1.412	10	20	CDCD	
COc1ccc(N(C)CCN(C)C(=O)C(F)F)cc1	844857477	XXJRKCBBVZPQDK-UHFFFAOYSA-N	272.295	1.855	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NCc2cncn2C)c1	858464677	NJBAVZRXMVIXIP-UHFFFAOYSA-N	274.324	1.434	10	20	CDCD	
Cc1ccc(C(=O)NCCO[C@@H]2CCCCO2)c(O)c1O	854551082	CDIYHKAHDCBWFK-GFCCVEGCSA-N	295.335	1.679	10	20	CDCD	
Oc1ccc(Cl)c(F)c1CNCCN1CC[C@@H](O)C1	858297264	DQQDDGRDZUEQQJ-SECBINFHSA-N	288.750	1.341	10	20	CDCD	
CC[C@@H](C)NC(=O)COC(=O)/C=C\c1ccc(O)c(O)c1	759578258	GCCXILAVLDROSL-ONRRBMGISA-N	293.319	1.569	10	20	CDCD	
CCCCN(Cc1ccccc1O)C[C@H](O)[C@@H](C)O	930351308	OKICJDULLNWDKS-DOMZBBRYSA-N	267.369	1.736	10	20	CDCD	
CCOC(=O)C1=NN(c2cccc(C)c2)C(=O)[C@@H]1C	871941120	VEXLWZYFHJSWKR-SNVBAGLBSA-N	260.293	1.897	10	20	CDCD	
COC(=O)C[C@]1(NCc2cc(F)ccc2O)CCOC1	768533222	JEDOHCLQWXBXKT-CQSZACIVSA-N	283.299	1.343	10	20	CDCD	
CCC[C@H](O)C(=O)NCc1cc(OC)ccc1O	934942918	RLXMOZHQKXURLJ-LBPRGKRZSA-N	253.298	1.178	10	20	CDCD	
O=C1N[C@@H](c2cc(Cl)ccc2O)N2CCSC[C@H]12	765518254	KSWOTCYGGRHWBS-MWLCHTKSSA-N	284.768	1.591	10	20	CDCD	
O=CNc1ccc(C(=O)NCc2ccccc2O)cc1	769362093	FCHLONXBSFJHPD-UHFFFAOYSA-N	270.288	1.891	10	20	CDCD	
CC1=NN(C2=NS(=O)(=O)c3ccccc32)C(=O)[C@@H](C)C1	871947050	NWYDZMAFWIFEDE-QMMMGPOBSA-N	291.332	1.380	10	20	CDCD	
CC(C)[C@](C)(O)C(=O)N(C)Cc1ccccc1O	771408183	QKEKODNLJHQLPX-AWEZNQCLSA-N	251.326	1.758	10	20	CDCD	
CC[C@@]1(O)CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1	779335693	KAJOIJIEBOMTPO-CSPWOOARSA-N	277.320	1.484	10	20	CDCD	
CC(C)[C@@H](O)CNCc1ccc(N2CCC(O)CC2)cc1	877037712	WNABPUADVCAHNI-KRWDZBQOSA-N	292.423	1.754	10	20	CDCD	
CCN(C)c1ccc(CN(CCO)CCCO)cc1	773754462	FTPMIBTUHUHMNO-UHFFFAOYSA-N	266.385	1.319	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)Nc1nnc2ccccn12	779497961	FCBMKXNCWBJJEB-FNORWQNLSA-N	296.286	1.792	10	20	CDCD	
CN(Cc1cnn(C)c1)C(=O)/C=C/c1ccc(O)c(O)c1	779499371	LHNZDZXAVDXQHK-GQCTYLIASA-N	287.319	1.503	10	20	CDCD	
C[C@H](O)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	786826246	DYGAHHLXKUUUKM-RYUDHWBXSA-N	278.352	1.081	10	20	CDCD	
COc1ccc(CN[C@H](CCO)C2CC2)c(O)c1OC	893038035	VEUQKNXMDKSLTJ-GFCCVEGCSA-N	281.352	1.660	10	20	CDCD	
C[C@H](O)[C@@H]1CCN(Cc2cc(F)cc(F)c2O)C1	894430451	FYUIBKLRNKWICK-DTWKUNHWSA-N	257.280	1.873	10	20	CDCD	
COc1cc(C)cc(CN(C)C[C@H](O)C2CC2)c1O	894776529	HAMMPNHCSNJVLK-ZDUSSCGKSA-N	265.353	1.912	10	20	CDCD	
COc1ccc(CNCCC[S@@](C)=O)c(O)c1OC	893005264	SDPBQNFZLLYTSM-LJQANCHMSA-N	287.381	1.268	10	20	CDCD	
CCN(CC)c1ccc(CN2C[C@@H](O)C[C@@]2(C)CO)cc1	895327353	MOMUQTSTGNBQAQ-IRXDYDNUSA-N	292.423	1.850	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCC(c2nc[nH]n2)CC1	790875836	LXHRKRPSWPZJIX-UHFFFAOYSA-N	288.307	1.236	10	20	CDCD	
CCOCCOC[C@@H](O)CNCc1cc(C)ccc1O	791006216	DQXHCANNVQGKTK-AWEZNQCLSA-N	283.368	1.204	10	20	CDCD	
C[C@H](CCN(C)C)NC(=O)Nc1ccc(N)cc1	49560564	KENJQWQNNOBTHF-SNVBAGLBSA-N	250.346	1.731	10	20	CDCD	
Cc1ncncc1C(=O)OCC(=O)c1ccc(O)c(O)c1	1324777738	RWDFUHWVZGZFCX-UHFFFAOYSA-N	288.259	1.236	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC[C@]2(O)CCN(C)C2)c1	702575089	VWCYAEMCJLBLRY-IAQYHMDHSA-N	280.368	1.118	10	20	CDCD	
Oc1c(F)cc(F)cc1CNC[C@]1(O)CCSC1	708393297	BYNKNXMIOKOQCW-GFCCVEGCSA-N	275.320	1.628	10	20	CDCD	
O=C(NCC[C@@H]1CCCCO1)c1cccc(O)c1O	193157986	YEWBPSCWARKJCB-JTQLQIEISA-N	265.309	1.787	10	20	CDCD	
CN(CCCCCO)C(=O)NCc1ccc(N)cc1	1337019249	PWQFIVIDOPUIHM-UHFFFAOYSA-N	265.357	1.573	10	20	CDCD	
C[C@H](NCCN1CCOC[C@@H]1C)c1c(O)cccc1F	1332365974	SLGSZYMRUDJTJO-RYUDHWBXSA-N	282.359	1.903	10	20	CDCD	
Oc1ccccc1CN(Cc1nc[nH]n1)C[C@@H]1CCCO1	1330546468	GVRMOBODEXBVHO-ZDUSSCGKSA-N	288.351	1.692	10	20	CDCD	
CC(C)CS(=O)(=O)CCC(=O)NCc1ccc(N)cc1	1341923224	JPISPPPKATWFLN-UHFFFAOYSA-N	298.408	1.346	10	20	CDCD	
O=C(NCc1cccc(O)c1O)C1CC2(CSC2)C1	1347234768	PYOYGEIKEDAGRL-UHFFFAOYSA-N	279.361	1.857	10	20	CDCD	
O=C(NCc1cccc(O)c1O)[C@H]1CCCN1C1CC1	1521852442	VYIRHMOWZYXQQP-GFCCVEGCSA-N	276.336	1.341	10	20	CDCD	
O=C(O)c1cc(C(=O)NCc2cccc(Cl)c2O)[nH]n1	1605806615	JANZNSFEZXFPFT-UHFFFAOYSA-N	295.682	1.397	10	20	CDCD	
CN(C)c1ccc(OCc2cnn(C)n2)cc1C(=O)O	1606060083	FKVKJNYCUKLJKK-UHFFFAOYSA-N	276.296	1.158	10	20	CDCD	
CCOC(=O)C[C@@H](O)CSc1ncc(C(=O)O)s1	1605534247	XJNBGYZJMULFQW-ZCFIWIBFSA-N	291.350	1.248	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)[C@@H](O)c1ccccc1	158016146	IFVFGHMTLURIPW-HNNXBMFYSA-N	287.315	1.490	10	20	CDCD	
C[C@@H](NC[C@@H]1CCS(=O)(=O)C1)c1ccc(N(C)C)cc1	38083399	ILYMOGJWYUVPTK-OLZOCXBDSA-N	296.436	1.838	10	20	CDCD	
COc1cccc(CN2CCC[C@@H](CCN)C2)c1O	70169535	MBHKMQAMCPCLTP-LBPRGKRZSA-N	264.369	1.962	10	20	CDCD	
CCc1cccc(CNCCCOCCO)c1O	691494923	QJLDVPQMBIFXRY-UHFFFAOYSA-N	253.342	1.443	10	20	CDCD	
COc1ccc(O)c(CNC2CCN(OC)CC2)c1	692096666	DDEIOFMXUGMNNN-UHFFFAOYSA-N	266.341	1.516	10	20	CDCD	
COc1ccc(O)c(CN2C[C@@H](C)C[C@@H](C(=O)O)C2)c1	398725695	JNNMHYMHMBDXEU-CMPLNLGQSA-N	279.336	1.943	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@H](C)n2cncn2)c1	171483755	NPOBUYCZZBLILF-UWVGGRQHSA-N	290.323	1.431	10	20	CDCD	
COc1ccc(O)c(CNC(=O)NC[C@H]2CCCOC2)c1	172071231	OGDBOTXKLGRBSB-LLVKDONJSA-N	294.351	1.627	10	20	CDCD	
Nc1ccc(NC(=O)NCC2(CO)CCCC2)cc1	841296265	SJCNDCATRSRTCY-UHFFFAOYSA-N	263.341	1.943	10	20	CDCD	
Cn1cc(/C=C/C(=O)N2CCOc3ccc(F)cc32)cn1	122453090	QBHDCFYAVHABRI-GORDUTHDSA-N	287.294	1.998	10	20	CDCD	
CC(C)CC(=O)NCCC(=O)NCc1ccc(O)c(O)c1	182541048	FFVUVJDVBZQKMM-UHFFFAOYSA-N	294.351	1.266	10	20	CDCD	
OC[C@]1(NCc2ccc(N3CCCCC3)cc2)CCOC1	184195417	QASZKMPIWIEIEZ-QGZVFWFLSA-N	290.407	1.918	10	20	CDCD	
O=C(CN1CCCCCC1=O)NCc1ccc(O)c(O)c1	182539485	JNAPDIZTPGYFRE-UHFFFAOYSA-N	292.335	1.117	10	20	CDCD	
COCCN1[C@@H](C)CN(Cc2ccccc2O)C[C@H]1C	179576601	DAKWNHHIKSTFRS-OKILXGFUSA-N	278.396	1.933	10	20	CDCD	
CCOC(=O)NCCCC(=O)NCc1ccccc1O	269834599	TZBGUQXDAFFNOQ-UHFFFAOYSA-N	280.324	1.535	10	20	CDCD	
CCC[C@@H]1CN(C(=O)c2c(F)ccc(O)c2O)CCO1	276534230	ICKKXVMEVGIVAD-SECBINFHSA-N	283.299	1.878	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1C[C@@]12CCOC2	373479383	JBYGJKNOJKPAJM-NSODJVPESA-N	291.347	1.572	10	20	CDCD	
CCCCN(Cc1nnn(C)n1)Cc1ccccc1O	282508047	ROVPIBILAPYHIE-UHFFFAOYSA-N	275.356	1.718	10	20	CDCD	
CC(=O)C(=O)COC(=O)c1cnn(-c2ccccc2)c1	808492085	XPRNXFNWYNZHOB-UHFFFAOYSA-N	272.260	1.187	10	20	CDCD	
CCOC(=O)COCCOC(=O)c1cc(O)cs1	805449905	KUVFJRLEZQZCIY-UHFFFAOYSA-N	274.294	1.190	10	20	CDCD	
C[C@@H]1CCC[C@]1(O)CNC(=O)/C=C/c1ccc(O)c(O)c1	293953522	ALXXHFBZZXIFCQ-KLUFPHRFSA-N	291.347	1.778	10	20	CDCD	
COc1cccc(O)c1CN1C[C@@H]2[C@@H](C1)[C@H]1C=C[C@H]2O1	824839426	YSMRLLCPTAZNHW-HOJOPBEUSA-N	273.332	1.786	10	20	CDCD	
CCOC(=O)C1(C(=O)NCc2ccc(O)cc2O)CCC1	823216741	ZPOJNFAABFJLQA-UHFFFAOYSA-N	293.319	1.447	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@H]2[C@H]3C(=O)CC[C@H]32)c1	907059533	CRQHXEMTNCMXJI-UYFLLQICSA-N	289.331	1.803	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1C[C@H]1C(=O)O	830643188	FFTIBVYKNCKZHL-WDEREUQCSA-N	290.319	1.199	10	20	CDCD	
Oc1cc2c(cc1CN1CC[C@@H](C3OCCO3)C1)OCO2	905694217	FJVMGHDARPEMMJ-SNVBAGLBSA-N	293.319	1.316	10	20	CDCD	
CCOc1ccc(O)c(CN2C[C@@H](C)[C@@H](C(=O)O)C2)c1	833662297	AWLCRPGOSGLADH-MFKMUULPSA-N	279.336	1.943	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@H](O)C(C)(C)C)cc1	735840134	DNIHQWSKSGZFLF-ZDUSSCGKSA-N	264.369	1.776	10	20	CDCD	
CCN1CCC[C@@H]1CNC(=S)NCc1ccccc1O	748156468	GBXIGLBISVTBSZ-CYBMUJFWSA-N	293.436	1.841	10	20	CDCD	
C[C@@H]1CN(Cc2cc3c(cc2O)OCO3)CC[C@@H]1N	843053207	ZGYXZUBKGSYPPR-KOLCDFICSA-N	264.325	1.290	10	20	CDCD	
C[C@H]1C[C@@H](C(=O)N(CC(=O)O)Cc2ccccc2O)CO1	911493213	LFTVXTFMBXNRKH-CMPLNLGQSA-N	293.319	1.230	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC[C@H](CO)[C@@H]1CCOC1	840940599	ADZUNDWIQIOHFL-HZPDHXFCSA-N	292.423	1.796	10	20	CDCD	
COCC1(CNCc2cccc(C)c2O)CCNCC1	841068378	MXLTXDJAYJMKHF-UHFFFAOYSA-N	278.396	1.806	10	20	CDCD	
CC[C@H](CCO)CNC(=O)NCCc1ccc(N)cc1	841957855	MMHOKFPMKFPEEG-GFCCVEGCSA-N	279.384	1.519	10	20	CDCD	
Cc1ccc(C(=O)NCCOC(=O)C2CC2)c(O)c1O	846076638	COLWUIAXPFPNTR-UHFFFAOYSA-N	279.292	1.089	10	20	CDCD	
Nc1ccc(CCNC(=O)C(=O)NCCC2CCC2)cc1	842153060	JRBIDHFUESKWNO-UHFFFAOYSA-N	289.379	1.234	10	20	CDCD	
O=C(NC[C@@H](O)c1ccsc1)c1cc(O)cs1	740114175	LTVOGXGOGJJJGW-SECBINFHSA-N	269.347	1.979	10	20	CDCD	
C[C@H](NC[C@H]1CCCNC1=O)c1cc(F)cc(F)c1O	840826408	XJYIAYAIGHFICV-DTWKUNHWSA-N	284.306	1.847	10	20	CDCD	
COC(=O)COc1ccc(N(C)CC2CCNCC2)cc1	843119443	PJFIJYCFAINTIG-UHFFFAOYSA-N	292.379	1.674	10	20	CDCD	
Cc1cccc(CNCCCN2CCNCC2)c1O	841028480	HAHAPJVMNAXKND-UHFFFAOYSA-N	263.385	1.086	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NCc2nccn2C)c1	858235655	VHXNCEIIFITOPP-UHFFFAOYSA-N	274.324	1.434	10	20	CDCD	
O=C(Cc1nc[nH]n1)NCCCSc1nccs1	865784384	GIQRAGWWVKGMGW-UHFFFAOYSA-N	283.382	1.102	10	20	CDCD	
Cc1ccc(CNC2(CO)CCOCC2)c(O)c1	877036565	GJZHLCRKSOTJBZ-UHFFFAOYSA-N	251.326	1.332	10	20	CDCD	
CN(C)c1cc(F)c(CN2CCC(C(N)=O)CC2)cc1F	862212971	YSDYWTKAAOZRMT-UHFFFAOYSA-N	297.349	1.728	10	20	CDCD	
Cc1c[nH]ccc1=NC(=O)NCc1ccccc1O	767906799	DXJRZEVLFFKBAS-UHFFFAOYSA-N	257.293	1.839	10	20	CDCD	
Cc1cccc(O)c1CN(C)CCCN1CCN(C)CC1	877526058	FFUXKIPPXKLPPL-UHFFFAOYSA-N	291.439	1.770	10	20	CDCD	
CCOCCOC[C@@H](O)CN[C@H](C)c1ccccc1O	775130602	MQBKHMUXZRLLCG-OLZOCXBDSA-N	283.368	1.457	10	20	CDCD	
COc1ccc(O)c([C@H](C)NCc2nonc2C)c1	775372178	ZSRYCKDJEMAXKA-QMMMGPOBSA-N	263.297	1.943	10	20	CDCD	
Cc1nnc(N[C@@H](C)Cc2ccc(O)c(O)c2)nc1C	775531700	MOYICNNASHAPRF-QMMMGPOBSA-N	274.324	1.943	10	20	CDCD	
COCC[C@@](C)(O)CN[C@H](C)c1c(O)cccc1F	886528868	SLXHPMCDXCZZGF-QMTHXVAHSA-N	271.332	1.969	10	20	CDCD	
CCN(C)c1ccc(Cn2cc(CCO)nn2)cc1	881315200	NHPGMOKQJHVFBF-UHFFFAOYSA-N	260.341	1.317	10	20	CDCD	
COc1cc(C)cc([C@@H]2NC(=O)CN2CC(C)C)c1O	887326498	DOYLJCPRDUIDEU-OAHLLOKOSA-N	278.352	1.796	10	20	CDCD	
COC(=O)[C@H]1CCN(C(=O)c2ccc(C)c(O)c2O)[C@@H]1C	787506939	SHUFVEOYOGTCSG-ZJUUUORDSA-N	293.319	1.430	10	20	CDCD	
COc1ccc(CN[C@H](CO)CC2CC2)c(O)c1OC	893209842	IFHUNFAPDSQCAK-LBPRGKRZSA-N	281.352	1.660	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@@H](O)C[C@@H]1C	788324548	XJHOYRLXKYMSFV-WFASDCNBSA-N	291.395	1.726	10	20	CDCD	
CC[C@@H](NCc1cc(C)cc(OC)c1O)[C@@H](C)O	894904463	INHPUEDAHWJXMB-ZYHUDNBSSA-N	253.342	1.958	10	20	CDCD	
C[C@@H](NC(=O)NC[C@@H]1CCCN1)c1ccccc1O	892004616	HNWGDJRRDLXOFM-MNOVXSKESA-N	263.341	1.504	10	20	CDCD	
COc1cc(C)cc(CN(C)[C@H](C)C[S@](C)=O)c1O	894453303	OCNSUYCMGNAMMT-WYRIXSBYSA-N	285.409	1.908	10	20	CDCD	
COc1cccc(O)c1CN1CCO[C@]2(CCO[C@@H]2C)C1	793229688	BSEGDKCSHJQJRO-MLGOLLRUSA-N	293.363	1.781	10	20	CDCD	
Oc1cc2c(cc1CN1CCC3(CCO3)CC1)[C@H](O)CO2	799957443	OSVNHZRCKFZHBU-CQSZACIVSA-N	291.347	1.573	10	20	CDCD	
CNC(=O)[C@@]1(C)CCN(Cc2cc(OC)c(C)cc2O)C1	797414118	VCCYEWNQBKJJSZ-INIZCTEOSA-N	292.379	1.667	10	20	CDCD	
C[C@H](O)CNCc1cccc(Br)c1O	42411919	NYJDEOUBJNFXPK-ZETCQYMHSA-N	260.131	1.625	10	20	CDCD	
CNC[C@H](C)CNC(=O)NCc1cccc(OC)c1O	1326131753	CMHSCAAMYXIKDI-JTQLQIEISA-N	281.356	1.056	10	20	CDCD	
C[C@]1(C(=O)O)CCN(C(=O)Cc2ccc(N)cc2)C1	62915508	NHJQQQPAYONRJU-AWEZNQCLSA-N	262.309	1.135	10	20	CDCD	
COc1cccc(CNCc2cnc3n2CCC3)c1O	719853538	VKPSMXNDTAQBQN-UHFFFAOYSA-N	273.336	1.833	10	20	CDCD	
CO[C@@H]1CCOC[C@H]1NCc1ccc(C)cc1O	897889303	REWLJTKQCCILCR-TZMCWYRMSA-N	251.326	1.594	10	20	CDCD	
CN(C)c1cc(F)c(CNC[C@@]2(O)CCOC2)cc1F	1351328666	DTDAQXSNTRUWMJ-AWEZNQCLSA-N	286.322	1.272	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N[C@H](CCF)C(=O)O	1601238793	NUHUHXRFEABYHV-HDMKULJXSA-N	283.255	1.040	10	20	CDCD	
C[C@@H](NC(=O)[C@H]1[C@@H](CN)C1(F)F)c1ccc(N(C)C)cc1	1576226746	HZJRDMATAUZYPD-OASPWFOLSA-N	297.349	1.770	10	20	CDCD	
COc1cc(Cl)cc(CNC(C)(C)CN)c1O	1579155481	PKMOCWPTUDCYNR-UHFFFAOYSA-N	258.749	1.881	10	20	CDCD	
CN1CCN(Cc2ccc(N(C)C)cc2)C[C@H](C(=O)O)C1	1598620077	YCXWQWRUFJTNQQ-CQSZACIVSA-N	291.395	1.201	10	20	CDCD	
CCN(CC)C(=O)CN[C@H](C)c1cc(C(=O)O)ccc1O	1596247765	JSTPNSDACLLECJ-SNVBAGLBSA-N	294.351	1.609	10	20	CDCD	
CN(CCCS(C)(=O)=O)Cc1ccccc1O	109769793	IDVICRMFIINRCB-UHFFFAOYSA-N	257.355	1.259	10	20	CDCD	
C[C@H](CNC(=O)c1cccc(O)c1O)N1CCCC1	126497711	GHNIEOMYGMGDTD-SNVBAGLBSA-N	264.325	1.312	10	20	CDCD	
CN(CCN1C(=O)NC(C)(C)C1=O)c1ccc(N)cc1	702069947	VHLUXNKFOKMDJZ-UHFFFAOYSA-N	276.340	1.035	10	20	CDCD	
C[C@H](NCc1cn(C)nn1)c1ccc(N(C)C)cc1	389827129	SOEMDDBZCSYCGB-NSHDSACASA-N	259.357	1.732	10	20	CDCD	
CC(=O)c1cc(F)cc(CN(C)C2CC(O)C2)c1O	759874880	QDKUVTQORTWZNG-UHFFFAOYSA-N	267.300	1.689	10	20	CDCD	
CC[C@@H]1C(=O)NCCN1Cc1cc(C)c(C)cc1O	106855806	MVEUZSLZGACVSS-CYBMUJFWSA-N	262.353	1.719	10	20	CDCD	
COc1ccc(O)c(CN2CCC[C@@](C)(O)C2)c1	180377472	DDGBCKLJRSAALN-CQSZACIVSA-N	251.326	1.748	10	20	CDCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CN)cc1	76822611	KMSMTFBEFHCDPH-HNNXBMFYSA-N	291.395	1.219	10	20	CDCD	
COC[C@@H](C)N(C)C(=O)/C=C/c1ccc(O)c(O)c1	180942510	MIICIKSUDWVFNR-BREXMAIKSA-N	265.309	1.604	10	20	CDCD	
C[C@]1(NCc2cc3c(cc2O)OCO3)CCOC1	120242869	WQELNKCMRRKLNP-ZDUSSCGKSA-N	251.282	1.390	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CC2OCCCO2)cc1	188888643	MKDHJVQSHOAQMG-UHFFFAOYSA-N	278.352	1.522	10	20	CDCD	
CCOCC(=O)N1CCN(c2ccc(OC)c(F)c2)CC1	84814867	NQIPXWBVSQGASU-UHFFFAOYSA-N	296.342	1.519	10	20	CDCD	
CCOCCN1CCN(c2ccc(OC)c(F)c2)CC1	84866858	QEFCSYGMLPWHPW-UHFFFAOYSA-N	282.359	1.993	10	20	CDCD	
COC[C@H](NCc1cc2c(cc1O)OCO2)C(C)C	86683751	PVSCAIIAVFMLAU-NSHDSACASA-N	267.325	1.882	10	20	CDCD	
CN(C)c1ccc(CNC(=O)C2=COCCO2)cc1F	194892551	DXGAQNIUBDUUMR-UHFFFAOYSA-N	280.299	1.396	10	20	CDCD	
COc1cccc(CNC(=O)C[C@H]2CCCCO2)c1O	88352627	YRRQZSLSIVUBAS-GFCCVEGCSA-N	279.336	1.976	10	20	CDCD	
CC[C@H]1C(=O)NCCN1Cc1cc(Cl)ccc1O	93050079	IJOSLTZHPQYRTM-NSHDSACASA-N	268.744	1.756	10	20	CDCD	
C[C@H](CC(=O)NCCc1ccc(N)cc1)[C@H]1CCCNC1	237638902	QOWVEISVJWVWHU-HIFRSBDPSA-N	289.423	1.953	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1ccncn1	275129865	KUJDHWBLKGLYFE-UHFFFAOYSA-N	270.336	1.815	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNC[C@@H](O)C(C)C)c1O	278891879	PRDUFBKDWPHZPT-LLVKDONJSA-N	284.312	1.416	10	20	CDCD	
O=C1N[C@H](c2cc(F)ccc2O)N2CCSC[C@@H]12	270761666	DMEBDHQURFVFQN-ONGXEEELSA-N	268.313	1.077	10	20	CDCD	
c1n[nH]cc1CCNCc1ccc(N2CCOCC2)cc1	379592103	ZOSPMRRCLMDCPQ-UHFFFAOYSA-N	286.379	1.579	10	20	CDCD	
CN(C)c1ccc(CNS(=O)(=O)CCCCF)cc1	286523703	FWJXSZRQIKKXRT-UHFFFAOYSA-N	288.388	1.922	10	20	CDCD	
CN(C)[C@@H](C(=O)NCc1ccccc1O)c1cncn1C	283566443	WBZHWDPKWTULIY-CQSZACIVSA-N	288.351	1.045	10	20	CDCD	
CC[C@H](NCCCOCCO)c1ccc(F)cc1O	285905474	BNEGWVCXDOQYLA-ZDUSSCGKSA-N	271.332	1.971	10	20	CDCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]1CCN1	384744956	IOQIZYUBPANLRE-MRXNPFEDSA-N	287.407	1.997	10	20	CDCD	
CN(C)c1ccc(CNC(=O)C(=O)NC2CCCC2)cc1	283314216	QFCHHYKMKXBXIW-UHFFFAOYSA-N	289.379	1.428	10	20	CDCD	
CCOc1ccc(N(C)C[C@@H](O)CN(C)C2CC2)cc1	809948744	LGNTWKZDFKPVMF-HNNXBMFYSA-N	278.396	1.977	10	20	CDCD	
CCC[C@@H](OC)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	295683058	HKAKLDLRNNKCPT-IINYFYTJSA-N	281.352	1.960	10	20	CDCD	
Cc1nc2ccc(NCCc3ccc(O)c(O)c3)nn2n1	811811483	VUUPWZRWSWBIKD-UHFFFAOYSA-N	285.307	1.499	10	20	CDCD	
COc1ccc(O)c(CNC(=O)Cc2cnn(C)c2C)c1	815835069	JHZAMHZYIOGZSV-UHFFFAOYSA-N	289.335	1.302	10	20	CDCD	
COc1ccc(O)c(CNc2cccc(-c3nn[nH]n3)n2)c1	826210529	VOBCVOBEXFIEBW-UHFFFAOYSA-N	298.306	1.588	10	20	CDCD	
OCC1(O)CCN(Cc2cc(Cl)cc(F)c2O)CC1	827147523	SOXFAJZNADTXND-UHFFFAOYSA-N	289.734	1.504	10	20	CDCD	
COc1cccc(CNc2cnccc2-c2nn[nH]n2)c1O	826216120	LLFWEBBRQKPHPJ-UHFFFAOYSA-N	298.306	1.588	10	20	CDCD	
CCCNC(=O)[C@H](C)Sc1ncc(C(=O)OC)s1	829688042	RTMUNXFEKNAIKQ-ZETCQYMHSA-N	288.394	1.937	10	20	CDCD	
CCN(C)C(=O)CNCc1cc(Cl)c(C)cc1O	825550158	ZANYJCJNOBKTLV-UHFFFAOYSA-N	270.760	1.922	10	20	CDCD	
O=C(NC[C@@H](O)c1ccco1)c1cc(O)cs1	732271108	BHIZNXKMYPWPSZ-MRVPVSSYSA-N	253.279	1.510	10	20	CDCD	
CCCCN(Cc1ccccc1O)C(=O)[C@@H]1C[C@@H]1C(N)=O	908045056	IMYHZGCHULCQIP-QWHCGFSZSA-N	290.363	1.642	10	20	CDCD	
CC(C)[C@H](CO)ONC(=O)/C=C/c1ccc(O)c(O)c1	836892635	ROOYQSXIWLZTDU-BPJJOFIESA-N	281.308	1.176	10	20	CDCD	
COCCN(CC(F)F)C(=O)c1cc(O)cs1	732287111	PHYXLDBVTVLLNM-UHFFFAOYSA-N	265.281	1.807	10	20	CDCD	
COc1cccc(CNC(=O)O[C@H]2CCOC2)c1O	914152553	FHPBWTVLINDZHR-JTQLQIEISA-N	267.281	1.416	10	20	CDCD	
CCS(=O)(=O)CCCNCc1c(O)cccc1OC	840973533	OLUPLAOXIAWDAP-UHFFFAOYSA-N	287.381	1.315	10	20	CDCD	
COc1cccc([C@@H](C)NCCn2ccnc2)c1O	846138606	WTGUEZXKSXHJGO-LLVKDONJSA-N	261.325	1.948	10	20	CDCD	
Nc1ccc(Cc2noc(CN3CCCNC3=O)n2)cc1	843160363	XLLGDHJDYNDYGX-UHFFFAOYSA-N	287.323	1.158	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)[C@H]1CCCCS1	910950257	UQPQXMGSBRVVPH-GFCCVEGCSA-N	267.350	2.000	10	20	CDCD	
CN1CCN(Cc2cccc(Cl)c2O)[C@@H](CN)C1	843122411	SCZXAXBNRDVCKJ-NSHDSACASA-N	269.776	1.120	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H](CN)C2CC2)c1	841946106	GHLRDBBVKGOFSM-RNCFNFMXSA-N	293.367	1.498	10	20	CDCD	
Cc1ccc(C(=O)C(=O)NCc2ccc(O)c(O)c2)cc1	749021423	ITMGTICAEUIKCD-UHFFFAOYSA-N	285.299	1.905	10	20	CDCD	
C[C@H](CC(N)=O)N[C@H](C)c1ccc(Cl)cc1O	841760204	SADFJVXQYNVACJ-HTQZYQBOSA-N	256.733	1.960	10	20	CDCD	
Nc1ccc(CCNC(=O)N[C@H](CCO)C2CC2)cc1	841954547	NPRIENGRCABGDJ-CQSZACIVSA-N	277.368	1.272	10	20	CDCD	
Cc1cc(O)c(CN2CCN([C@H]3CCOC3)CC2)cc1C	853550837	MPWAVSPGDFRBLD-INIZCTEOSA-N	290.407	1.916	10	20	CDCD	
COc1cccc(O)c1CN1C[C@@H]2CCC[C@@]2(N)C1	857226529	QNMLAYQGMUXPGL-XHDPSFHLSA-N	262.353	1.714	10	20	CDCD	
COCc1cncc(C(=O)NCCc2ccc(N)cc2)c1	851631924	HUDUWOUVJGZWON-UHFFFAOYSA-N	285.347	1.783	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)NC[C@H]2C[C@@H](O)C2)c1	858542757	BHFJMYBTJMSHJD-FOGDFJRCSA-N	279.336	1.600	10	20	CDCD	
CCOc1ccc(O)c(CNCCOCCF)c1	853091457	JIDAYLQJUQHPGO-UHFFFAOYSA-N	257.305	1.867	10	20	CDCD	
COC(=O)[C@]1(NCc2ccc(OC)c(C)c2)CCOC1	930154268	BLOONEQRCJOJBS-HNNXBMFYSA-N	279.336	1.425	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@](C)(O)C2CCC2)c1	862755932	NKJNQJMRVKEIPN-OAHLLOKOSA-N	263.337	1.868	10	20	CDCD	
CN(C)c1cc(F)c(CN2CCC[C@H]2CO)cc1F	862232692	HVYABNKJQMZHAQ-NSHDSACASA-N	270.323	1.988	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)Nc2ncn(C)n2)c1	861144313	PZUQYVKSHDSVMP-UHFFFAOYSA-N	261.285	1.151	10	20	CDCD	
COc1cccc([C@@H](C)N[C@H]2C[C@@H](CO)C2)c1O	866416019	KMZMCAVYXPGONC-MXWKQRLJSA-N	251.326	1.822	10	20	CDCD	
COC(=O)Cc1ccc(N2N=C(C(C)=O)CC2=O)cc1	871959524	NGVUXUKCPXATRT-UHFFFAOYSA-N	274.276	1.084	10	20	CDCD	
C[C@@H]1C[C@H](NC(=O)/C=C\c2ccc(O)c(O)c2)CCO1	779547817	NQNMNWUXQGPYHZ-SIIXBRRKSA-N	277.320	1.795	10	20	CDCD	
Cc1cc(O)c(CN(C)CCS(N)(=O)=O)cc1Cl	877825991	LOJQQZMWFIRFGE-UHFFFAOYSA-N	292.788	1.074	10	20	CDCD	
C[C@H]1CCN[C@@H](C(=O)N[C@@H](C)c2ccccc2O)C1	877255866	JBTJXIMWSUZDSS-GMXVVIOVSA-N	262.353	1.958	10	20	CDCD	
CCN(C)c1ccc(CNC2(CO)CCOCC2)cc1	773747496	GWRYWCBRTDVBGC-UHFFFAOYSA-N	278.396	1.774	10	20	CDCD	
CC[C@@H](CO)C(=O)NCc1ccc(N2CCOCC2)cc1	779616258	SELMQNLWBHFPCB-AWEZNQCLSA-N	292.379	1.158	10	20	CDCD	
NC(=O)C1(CNCc2cc(F)cc(F)c2O)CCCC1	883003676	BBMMXBRONUBGND-UHFFFAOYSA-N	284.306	1.806	10	20	CDCD	
COC[C@H](CCO)N[C@H](C)c1c(O)cccc1F	886530453	KUQKAPHEMDSXQT-ZJUUUORDSA-N	257.305	1.579	10	20	CDCD	
C[C@@H](NC[C@@]1(C)CCC(=O)N1)c1c(O)cccc1F	886623655	JVAMENPPAOZSHF-YMTOWFKASA-N	266.316	1.851	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)NCC1(N)CC1	1120578174	UPWMUBDQLQNMSB-UHFFFAOYSA-N	276.384	1.385	10	20	CDCD	
C[C@H](NC[C@H](O)COCC1CC1)c1c(O)cccc1F	886519052	MWBKVJNBJTXVSO-JQWIXIFHSA-N	283.343	1.969	10	20	CDCD	
COc1ccc(CN2CC[C@@H]([C@H](C)O)C2)c(O)c1OC	893472330	QHGOCLLDTNMHEM-WDEREUQCSA-N	281.352	1.612	10	20	CDCD	
COC(=O)[C@@H]1CN(Cc2cc(F)cc(F)c2O)CCO1	894002867	XBIBQMQJQJMRCT-NSHDSACASA-N	287.262	1.044	10	20	CDCD	
Cc1c(CNC(=O)c2c(F)ccc(O)c2O)cnn1C	790075772	NRZSKKPDQJKUEZ-UHFFFAOYSA-N	279.271	1.209	10	20	CDCD	
CCOc1cc(O)ccc1NS(=O)(=O)N1CCCC1	790411952	XHMNBKDTFYVBMI-UHFFFAOYSA-N	286.353	1.543	10	20	CDCD	
COCCO[C@@H]1CCN(Cc2cc(F)cc(F)c2O)C1	894529975	BHCYEOKUXHVFGT-GFCCVEGCSA-N	287.306	1.908	10	20	CDCD	
COc1ccc(CNc2ncnc3c2cnn3C)c(O)c1	794866311	VMOFUDZHWDMZAJ-UHFFFAOYSA-N	285.307	1.690	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CCO[C@@H](C)C2)c1O	37322652	VDFXDCOIBAIQGB-VIFPVBQESA-N	267.300	1.955	10	20	CDCD	
C[C@@H](NCc1cccc(Br)c1O)C(N)=O	42411932	ZVYIDCXZCUJHBI-ZCFIWIBFSA-N	273.130	1.118	10	20	CDCD	
C[C@H](NCc1cc(F)cc(F)c1O)C1(CO)CC1	708495193	TWWRYDUSIIAJTN-QMMMGPOBSA-N	257.280	1.921	10	20	CDCD	
NC[C@]12CCC[C@H]1CN(C(=O)NCc1ccc(N)cc1)C2	1338792793	JEQAFSFBJDPXPN-BBRMVZONSA-N	288.395	1.539	10	20	CDCD	
CCOc1cccc(CNCCN(C)C(=O)OC)c1O	689527132	RNOXGFSVLCYRHN-UHFFFAOYSA-N	282.340	1.579	10	20	CDCD	
COc1cc(O)c(CN[C@H]2C[C@H](C(=O)O)C2)cc1OC	1335967132	VHNOKXHWBANAGO-CZMCAQCFSA-N	281.308	1.362	10	20	CDCD	
Nc1ccc(CCNC(=O)C(=O)N2CCC=C(F)C2)cc1	1345196695	DKIRNLKXZYRUMJ-UHFFFAOYSA-N	291.326	1.013	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccnc(N)c1	1353971573	CPZCXBCOXMNLIR-UHFFFAOYSA-N	298.346	1.769	10	20	CDCD	
CC(C)Cn1ccc(C(=O)NCc2cccc(O)c2O)n1	1352670265	NJGUIGYMWBWSQK-UHFFFAOYSA-N	289.335	1.880	10	20	CDCD	
O=C(NCc1cccc(O)c1O)C1(F)CCOCC1	1521852415	VKPUWKNZMZGEOQ-UHFFFAOYSA-N	269.272	1.233	10	20	CDCD	
Cc1n[nH]c(C)c1CNC(=O)/C=C\c1ccc(O)c(O)c1	1521695482	ZVSFUJVTGIMBCN-XQRVVYSFSA-N	287.319	1.767	10	20	CDCD	
CCCn1cc(C(=O)NCc2cccc(O)c2O)cn1	1528771198	MFYRCEHKRHQCID-UHFFFAOYSA-N	275.308	1.634	10	20	CDCD	
O=C(O)c1cc(NCCc2ccc(O)c(O)c2)ncn1	1602287220	NFSYYIHPJPYHHF-UHFFFAOYSA-N	275.264	1.241	10	20	CDCD	
O=C(O)[C@@]1(CNCc2c(O)cccc2Cl)CCOC1	1601708167	WNZRCVKCHDYPMM-CYBMUJFWSA-N	285.727	1.627	10	20	CDCD	
CCOc1ccc(CN[C@@H](CC(F)F)C(=O)O)c(O)c1	1597100985	MATKBRUXYGJZHD-JTQLQIEISA-N	289.278	1.989	10	20	CDCD	
CCN(C)c1ccc(CN2CCO[C@@](C)(C(=O)O)C2)cc1	1776856108	QALGHBIMNWCXBH-MRXNPFEDSA-N	292.379	1.818	10	20	CDCD	
CCS(=O)(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	151223781	YPBRDLOJEVOSMG-CYBMUJFWSA-N	299.392	1.723	10	20	CDCD	
CN(C)c1ccc(CNC[C@@H](O)Cn2cccn2)cc1	818942352	ZQKYSXKULVSEDS-OAHLLOKOSA-N	274.368	1.100	10	20	CDCD	
Oc1cccc2c1[C@@H](NCCO[C@@H]1CCOC1)CC2	927082685	HIVRVQIRHPKLMH-OLZOCXBDSA-N	263.337	1.775	10	20	CDCD	
Nc1ccc(NC(=O)CCNC(=O)c2ccco2)cc1	238136546	MMFRNHLLZYLXLW-UHFFFAOYSA-N	273.292	1.620	10	20	CDCD	
O=S1(=O)CC[C@@H](NCc2ccc(N3CCCC3)cc2)C1	37187861	NYFWQRIZAHLLIL-CQSZACIVSA-N	294.420	1.564	10	20	CDCD	
CCc1cccc(CNC[C@H]2CCCS2(=O)=O)c1O	691452481	KEHKCAQNMJLWOD-CYBMUJFWSA-N	283.393	1.621	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)c2cnns2)c1	170900664	QWHUZJXHMYVESF-ZETCQYMHSA-N	279.321	1.743	10	20	CDCD	
CCOCCNC(=O)NCc1ccc(N(C)C)c(F)c1	69722688	RJIYHVFRQNTTSK-UHFFFAOYSA-N	283.347	1.727	10	20	CDCD	
C[C@H](NC(=O)c1cccc(O)c1O)[C@@H]1CCOC1	126568784	LDAJDXXEWZQKKM-DTWKUNHWSA-N	251.282	1.253	10	20	CDCD	
O=[N+]([O-])c1ccc(O)c(CNC[C@H]2CCCC[C@@H]2O)c1	124285463	AOILCAVENCNRFM-MFKMUULPSA-N	280.324	1.941	10	20	CDCD	
COC(=O)CN(C)Cc1cc(Cl)cc(C(C)=O)c1O	176890058	PEUDWMJZEVVBPZ-UHFFFAOYSA-N	285.727	1.853	10	20	CDCD	
OCCN(Cc1cccnc1)Cc1cc(F)ccc1O	180073915	UPYSQAFHVOJZST-UHFFFAOYSA-N	276.311	1.921	10	20	CDCD	
Cc1[nH]ncc1S(=O)(=O)Nc1ccc(O)c(Cl)c1	85204622	CIFCDFIWIGQWQM-UHFFFAOYSA-N	287.728	1.878	10	20	CDCD	
C[C@H]([C@@H](C)S(C)(=O)=O)N(C)Cc1cc(F)ccc1O	180159585	MLJJAFRGQNYEMK-NXEZZACHSA-N	289.372	1.785	10	20	CDCD	
CN(C)CCN(C)C(=O)/C=C/c1ccc(O)c(O)c1	272687290	TUEWEHRBEWDEPC-FNORWQNLSA-N	264.325	1.131	10	20	CDCD	
COc1ccc(N(Cc2nc(=O)[nH][nH]2)C(C)C)cc1F	271585643	DGSLAKWDSMBHIJ-UHFFFAOYSA-N	280.303	1.661	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)NCc2cnnn2C)c1	287162703	BUQRKRKGFIWRCD-VIFPVBQESA-N	290.323	1.158	10	20	CDCD	
COCC1(CNCc2cc(OC)ccc2O)CCOCC1	292736154	GVIGXGKFXFYKDU-UHFFFAOYSA-N	295.379	1.934	10	20	CDCD	
CCC(=O)N1CC[C@H](N[C@@H]2CCc3cccc(O)c32)C1	296770552	KMVQVXWZVJCIKM-QWHCGFSZSA-N	274.364	1.980	10	20	CDCD	
O[C@@H](CNc1ccccc1OCCF)Cn1cccn1	819489829	XSJSDWBKGMOADL-LBPRGKRZSA-N	279.315	1.704	10	20	CDCD	
COCCOc1ccccc1NC[C@@H](O)CN(C)C1CC1	819427632	UFXIOBKIIYWYLI-CQSZACIVSA-N	294.395	1.579	10	20	CDCD	
CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@H]1C[C@@H]1C	819694796	NTVRNIXBQSVLLN-AAEUAGOBSA-N	291.347	1.940	10	20	CDCD	
C[C@@H](Cc1cnccn1)NC[C@@H](N)c1ccc(N(C)C)cc1	817940017	DUUHLBDKADPAPU-SUMWQHHRSA-N	299.422	1.763	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1NCC1(C)C	829764834	YOTBWWUQNSXDCZ-CQSZACIVSA-N	275.396	1.675	10	20	CDCD	
CN(Cc1cn(C)nn1)Cc1c(O)cccc1Cl	827305515	UUBKQEKKGXTWFA-UHFFFAOYSA-N	266.732	1.806	10	20	CDCD	
N[C@@H]1c2ccccc2C[C@H]1NCc1cc2c(cc1O)OCO2	904461390	IUZLDDBVYLCSEO-CXAGYDPISA-N	298.342	1.835	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)[C@@H]1CCC(=O)NC1	727168208	KOEMUUCXVSHAPD-GFCCVEGCSA-N	290.363	1.657	10	20	CDCD	
CCN(CC)c1ccc(CN2CCO[C@@H](C(=O)O)C2)cc1	820344005	JSIGSKPMNYGFQK-OAHLLOKOSA-N	292.379	1.818	10	20	CDCD	
Cn1ncc(/C=C2/C(=O)N3CCCc4cccc2c43)n1	901523624	XTORXYMYNFEPPE-MDWZMJQESA-N	266.304	1.649	10	20	CDCD	
O=C(NCCN1CCCCC1)c1cc(O)cs1	731869192	BDYIUFRRWHRICH-UHFFFAOYSA-N	254.355	1.669	10	20	CDCD	
C[C@H](NC(=O)CCC(N)=O)c1ccc(N(C)C)cc1	907493773	SDXWPYABSAQECW-JTQLQIEISA-N	263.341	1.195	10	20	CDCD	
COc1ccc(O)c(CNC(=O)C(C)(C)C(=O)O)c1	911386984	LNQLRJSTRUEJPM-UHFFFAOYSA-N	267.281	1.128	10	20	CDCD	
CCN(CC)c1ccc(CN2CCO[C@H](CN)C2)cc1F	843065448	FKORBILVJKATFU-CQSZACIVSA-N	295.402	1.831	10	20	CDCD	
CC(C)[C@H]1CN(C)CCN1C(=O)c1cccc(O)c1O	185706534	CIXUZORMNVATTR-GFCCVEGCSA-N	278.352	1.510	10	20	CDCD	
CC[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(N)cc1	841028311	OLISRVYIUCXDBN-GFCCVEGCSA-N	261.325	1.608	10	20	CDCD	
O=C(NCc1ccccc1O)c1ccc(-n2cnnn2)cc1	748355216	VWQMRYZDUWBETQ-UHFFFAOYSA-N	295.302	1.298	10	20	CDCD	
CCC[C@@H]1CNCCN1Cc1cc2c(cc1O)OCO2	843058010	KYODSMSIUYJWLF-GFCCVEGCSA-N	278.352	1.695	10	20	CDCD	
C[C@@]1(C(=O)NCc2ccc(O)cc2O)CCCCO1	910945763	YBSKKTXXCORQFF-AWEZNQCLSA-N	265.309	1.673	10	20	CDCD	
COc1ccc(N2CC[C@@H](N[C@@H]3CCCNC3)C2)cc1	849349529	CCJCSCGVXLPBOG-ZIAGYGMSSA-N	275.396	1.616	10	20	CDCD	
Cc1cc(NCCNC(=O)c2cc(O)cs2)n(C)n1	846644291	UVCNCECTSBVHAK-UHFFFAOYSA-N	280.353	1.338	10	20	CDCD	
NC(=O)[C@@H]1CC[C@H]1C(=O)NCc1cc(Cl)ccc1O	848242297	BGHHOYODUFUMBA-NXEZZACHSA-N	282.727	1.173	10	20	CDCD	
O[C@H](CNCc1ccc2c(c1)CCCO2)CN1CCCC1	921586071	IFHXGMKPLDJPPJ-MRXNPFEDSA-N	290.407	1.558	10	20	CDCD	
CN(C)c1ccc(CN(C(=O)NCCN)C2CC2)cc1	841919812	BAOGVOAAOYRABL-UHFFFAOYSA-N	276.384	1.385	10	20	CDCD	
CCOC(=O)[C@@H](C)OC(=O)/C=C/c1ccc(O)c(O)c1	759577556	BDQIDLMJFOBLMJ-VPIOIWJLSA-N	280.276	1.606	10	20	CDCD	
CCOc1cccc(CN[C@@H]2CCCN(CC)C2=O)c1O	922639691	NXNPOKNBQXXNJA-CYBMUJFWSA-N	292.379	1.891	10	20	CDCD	
C[C@@H](Cn1cncn1)NCCCSc1nccs1	850437489	QCRKJGTVUAOSDZ-JTQLQIEISA-N	283.426	1.895	10	20	CDCD	
CCOc1ccc(CNC[C@@H](C)S(C)(=O)=O)c(O)c1	754084832	CWBOXJBUNSQLTH-SNVBAGLBSA-N	287.381	1.314	10	20	CDCD	
CN1CCN(C(=O)NCc2ccc(N(C)C)cc2)CC1	31726374	MTNIYUSCURXKJH-UHFFFAOYSA-N	276.384	1.210	10	20	CDCD	
CC[C@@H](C)N(CC)C(=O)C(=O)Nc1ccc(N)cc1	850827156	QDSWZENNYMRLNF-SNVBAGLBSA-N	263.341	1.854	10	20	CDCD	
C[C@@H](NCCNC(=O)C1CC1)c1cc(F)cc(F)c1O	756371592	LVXFDUFUOUJIBV-MRVPVSSYSA-N	284.306	1.847	10	20	CDCD	
C[C@@H](NC(=O)NCCn1ccnc1)c1ccccc1O	864425136	ULLKIFGKKXFSNL-LLVKDONJSA-N	274.324	1.649	10	20	CDCD	
C[C@@H](NC(=O)C[C@H]1CSCCN1)c1ccccc1O	870988286	LONCWMZDNHJVCJ-MNOVXSKESA-N	280.393	1.665	10	20	CDCD	
Cc1[nH]nc2ncc(C(=O)NCc3ccccc3O)cc12	769361766	ADMHBWJERPQVFG-UHFFFAOYSA-N	282.303	1.902	10	20	CDCD	
CCOc1ccc(CN2CCn3nc(C)nc3C2)c(O)c1	769447042	QHVJNZKCSGXLDU-UHFFFAOYSA-N	288.351	1.707	10	20	CDCD	
CO[C@]1(C(=O)O)CCN(Cc2ccc(N(C)C)c(C)c2)C1	863475617	VODMXWMXVTXDJF-MRXNPFEDSA-N	292.379	1.737	10	20	CDCD	
CC[C@@H](NC(C)=O)C(=O)NCc1ccc(N(C)C)cc1C	865903681	DXVIOPZOVJLPMS-OAHLLOKOSA-N	291.395	1.592	10	20	CDCD	
CNC(=O)[C@@H]1CCC[C@H]1NCc1cc(C)ccc1O	765798037	UKVWZQSVAHZLRZ-CHWSQXEVSA-N	262.353	1.705	10	20	CDCD	
Cc1cccc(O)c1CN(CCN(C)C)CC(=O)N(C)C	877628968	OIPHVEBAJXTLJC-UHFFFAOYSA-N	293.411	1.152	10	20	CDCD	
CCNC(=O)CN[C@@H](C)c1ccc(N2CCOCC2)cc1	764608924	OTZTYAXTBFEQLW-ZDUSSCGKSA-N	291.395	1.310	10	20	CDCD	
CCCN(C)CC(=O)NCc1ccc(O)c(O)c1	778917553	FUPXMRBVMZGQDS-UHFFFAOYSA-N	252.314	1.056	10	20	CDCD	
CCCN[C@@H](C)C(=O)N[C@H](C)c1ccccc1O	870988763	ZASCADMLFSJWFF-MNOVXSKESA-N	250.342	1.958	10	20	CDCD	
CCOc1ccc(O)c(CN2C[C@@H]3CC[C@H](C2)N3)c1	873216165	JESJITQNEGNQLN-BETUJISGSA-N	262.353	1.727	10	20	CDCD	
C[C@H](NC(=O)C(F)F)c1ccc(N2CCOCC2)cc1	787206363	GQJWJQZJJCZMCN-JTQLQIEISA-N	284.306	1.966	10	20	CDCD	
COc1ccc(CNCc2ccon2)c(O)c1OC	893098493	PHBLZHPIWASTLH-UHFFFAOYSA-N	264.281	1.687	10	20	CDCD	
CN(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	891253416	SJDQLENLNUZNGU-AWEZNQCLSA-N	278.400	1.627	10	20	CDCD	
O=C(Cc1cncs1)OCC(=O)c1ccc(O)c(O)c1	784854594	BLMNPJRJISAOLO-UHFFFAOYSA-N	293.300	1.523	10	20	CDCD	
CCC[C@@H]1C(=O)NCCN1C(=O)c1cc(O)cs1	780696105	XUPYYNANVFYDLC-SECBINFHSA-N	268.338	1.194	10	20	CDCD	
CCN1CC[C@H](CNCc2ccc(OC)c(OC)c2O)C1	892613651	NSTVALLAVNZTAH-GFCCVEGCSA-N	294.395	1.841	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NCC(=O)N(C)C)c1	37225384	QDGONNPGLONBHT-SECBINFHSA-N	252.314	1.140	10	20	CDCD	
C[C@@H]1CN(C)C(=O)CN1Cc1c(O)ccc(Cl)c1F	792179690	KPRVKBVNRCQPKY-MRVPVSSYSA-N	286.734	1.847	10	20	CDCD	
CCNC(=O)CN(CC)Cc1cc(OC)ccc1O	133618129	TXVWOUYDFXDLFC-UHFFFAOYSA-N	266.341	1.359	10	20	CDCD	
COc1cc(Cl)cc(CN[C@H]2C[C@H](CO)C2)c1O	897357024	DKKHNYXRLDSZFD-JLIMDTESSA-N	271.744	1.915	10	20	CDCD	
CCOCCS(=O)(=O)N[C@H](C)c1ccccc1O	867833775	AAXUMWUBVQOJML-SNVBAGLBSA-N	273.354	1.409	10	20	CDCD	
C[C@@H](CCN(C)C)NC(=O)Nc1ccc(N)cc1	49560563	KENJQWQNNOBTHF-JTQLQIEISA-N	250.346	1.731	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CO[C@@H]2CCOC2)cc1	1323525865	KNWKUIYDVCSYJX-CQSZACIVSA-N	278.352	1.174	10	20	CDCD	
CC1(CO)CCN(C(=O)c2cccc(O)c2O)CC1	193163789	HTHSWTCZWQQPDH-UHFFFAOYSA-N	265.309	1.332	10	20	CDCD	
Oc1cc(Br)ccc1CN1C[C@H]2CNC[C@@H]2C1	691487292	KLCBBIMHIZBKRV-GHMZBOCLSA-N	297.196	1.806	10	20	CDCD	
CCOCCCCNC(=O)NCc1ccc(N)cc1	1335666288	OYUYFHWENBQHKR-UHFFFAOYSA-N	265.357	1.885	10	20	CDCD	
CNC1(C(=O)N[C@H](C)c2cc(OC)ccc2O)CCC1	1343542625	MCUIKDBSLYUAKS-SNVBAGLBSA-N	278.352	1.720	10	20	CDCD	
O=C(CO[C@H]1CCOC1)Nc1c(Cl)ccc2nonc12	1261140375	QDPOHWBFVUOMNP-ZETCQYMHSA-N	297.698	1.620	10	20	CDCD	
CN(CC1(C)COC1)c1nnc(-c2sccc2O)n1C	1341279983	KLNLGUJBXANLPI-UHFFFAOYSA-N	294.380	1.722	10	20	CDCD	
C[C@H](N)CCN[C@@H](C)c1cc(C(=O)O)ccc1O	1604342456	WJAFWYFJRFFVHC-IUCAKERBSA-N	252.314	1.478	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2cc(C(=O)O)co2)c1	1610344471	NHJJGAFQXIIHNB-UHFFFAOYSA-N	291.259	1.622	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)c2c(N)cnn2C)c1	1579230655	UVKGLFYJEHWREC-QMMMGPOBSA-N	290.323	1.208	10	20	CDCD	
CN(Cc1cn[nH]c1)c1ccc(OCC(=O)O)cc1	1598532958	HOWNWYXOMHJDFC-UHFFFAOYSA-N	261.281	1.510	10	20	CDCD	
C[C@H]1C[C@](NCc2ccc3c(c2)CCO3)(C(=O)O)CCO1	1776600597	INFNEVUQWZTXBD-ZBEGNZNMSA-N	291.347	1.733	10	20	CDCD	
COc1ccc(CN[C@H](C)C[S@](C)=O)cc1C	168210846	QFJPEUAHOYCPTI-PIGZYNQJSA-N	255.383	1.860	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCCNC1=O	209254010	CRWOPFAYZGMXHC-AWEZNQCLSA-N	289.379	1.237	10	20	CDCD	
COc1ccc(N(C)CCN2CCOC2=O)cc1	844353571	RLZRCHFYUSBQJB-UHFFFAOYSA-N	250.298	1.584	10	20	CDCD	
C[C@@H](C[C@@H]1COCCN1)NCc1ccc2c(c1)CCO2	817902404	PSAJFGDHOCQEQZ-SWLSCSKDSA-N	276.380	1.478	10	20	CDCD	
Oc1ccccc1CN1CCN([C@H]2CCOC2)CC1	827119120	IJMCOAAIANOLKE-AWEZNQCLSA-N	262.353	1.299	10	20	CDCD	
CNC(=O)CCCN[C@@H](C)c1ccc(F)cc1O	273583442	NDGQBAYTEHBWCJ-VIFPVBQESA-N	254.305	1.708	10	20	CDCD	
C[C@@H](NCc1cnnn1C)c1ccc(F)cc1O	287301402	KPUMKCVXKHLYAH-MRVPVSSYSA-N	250.277	1.511	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC[C@@]2(O)CCOC2)c1	186177774	ATWKGEOUAKYOKA-YGRLFVJLSA-N	267.325	1.203	10	20	CDCD	
CCOC(=O)c1cnn2c(O)cc(CN(CC)CC)nc12	51880248	OYCGIOXELVRWSB-UHFFFAOYSA-N	292.339	1.453	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CC(=O)N(C)C2)c1	103529887	BQIHVAXXTZXDND-VHSXEESVSA-N	292.335	1.056	10	20	CDCD	
C[C@@H](O)[C@H]1CCN(Cc2ccc(N3CCOCC3)cc2)C1	305842875	HNFRVFZPMQZTOP-ZBFHGGJFSA-N	290.407	1.726	10	20	CDCD	
CS[C@@H](C)CNC(=O)c1ccc(C)c(O)c1O	182889329	XXIARWFJMLSJAJ-QMMMGPOBSA-N	255.339	1.888	10	20	CDCD	
O=[N+]([O-])c1ccc(O)c(CN[C@H]2CCC[C@H]2CCO)c1	189929954	KTKZODRELFFOIS-GWCFXTLKSA-N	280.324	1.941	10	20	CDCD	
CN(C)c1ccc(CNCc2cnc(N(C)C)n2C)cc1	70142847	JKBVTLMEHXLJHT-UHFFFAOYSA-N	287.411	1.842	10	20	CDCD	
CCN(CC(N)=O)Cc1cc(Br)ccc1O	76118575	GEPRKYCEJZYYTE-UHFFFAOYSA-N	287.157	1.462	10	20	CDCD	
CN[C@H](C)CNC(=O)NCc1c(C)c2ccccc2n1C	418099457	NKITWGGODGYOSV-LLVKDONJSA-N	288.395	1.894	10	20	CDCD	
CC[C@@H](N)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	130403776	MWTDHBNNUDCNOC-SWLSCSKDSA-N	291.395	1.438	10	20	CDCD	
Oc1ccccc1CN1CCO[C@@H]([C@@H]2CCCO2)C1	179585840	IAOCGWJPJLYFRL-LSDHHAIUSA-N	263.337	1.772	10	20	CDCD	
CN(C)c1ccc(CN2CCNC(=O)C2(C)C)cc1F	131732460	UJTFASSDZPPSTK-UHFFFAOYSA-N	279.359	1.602	10	20	CDCD	
COC[C@@H]1CN(Cc2cc(F)ccc2O)CCO1	180175029	RZQLHSRWYHWELY-LBPRGKRZSA-N	255.289	1.379	10	20	CDCD	
Oc1ccc(Cl)cc1CNC[C@H]1COCCN1	530181037	JEFXMYJYIMAFML-NSHDSACASA-N	256.733	1.124	10	20	CDCD	
COC[C@H](NCc1cc(C)ccc1O)[C@@H]1CCCO1	278699486	QQRUZCDWOGJOGQ-ZFWWWQNUSA-N	265.353	1.984	10	20	CDCD	
CCN(C)C(=O)CN[C@@H](C)c1cc([N+](=O)[O-])ccc1O	274825339	ZPBHYSUPHOSHIO-VIFPVBQESA-N	281.312	1.429	10	20	CDCD	
COC(=O)C1CCN(C(=O)c2c(F)ccc(O)c2O)CC1	276476433	DKESVXCCXDJULF-UHFFFAOYSA-N	297.282	1.262	10	20	CDCD	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)NCC1CC1	276447084	IPVHAVKZMSTGCL-UHFFFAOYSA-N	299.374	1.205	10	20	CDCD	
C[S@@](=O)C1(CNC(=O)NCc2ccccc2O)CCC1	281511273	KEAUEVVSDLZHNY-HXUWFJFHSA-N	296.392	1.493	10	20	CDCD	
CCCOc1ccc(CN(C)[C@@H]2COC[C@H]2O)c(O)c1	289511006	GTMDZXIMRWMKRR-UKRRQHHQSA-N	281.352	1.373	10	20	CDCD	
C[C@H](NCC(=O)NCC(F)F)c1ccc(F)c(F)c1O	280181535	AFTHTDCMROHIIE-LURJTMIESA-N	294.248	1.702	10	20	CDCD	
CN(C(=O)COC(=O)c1cc(O)cs1)c1nccs1	801262504	XXKHZNNLORVUOY-UHFFFAOYSA-N	298.345	1.730	10	20	CDCD	
CC(=O)C(=O)COC(=O)CCSc1ccccc1	808486149	IEVDZELGLOWTHE-UHFFFAOYSA-N	266.318	1.870	10	20	CDCD	
COc1ccccc1-n1cnnc1SCC(=O)C(C)=O	808015008	BCQCSABQGULXDI-UHFFFAOYSA-N	291.332	1.526	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)c1cccc(CO)c1	813489858	DLZBTQNHGNWNHX-UHFFFAOYSA-N	273.288	1.520	10	20	CDCD	
COC(=O)C1(C)CN(C(=O)/C=C\c2ccc(O)c(O)c2)C1	819761125	UMAGRTKQFVUZLN-XQRVVYSFSA-N	291.303	1.133	10	20	CDCD	
CN(Cc1cc2c(cc1O)OC[C@H]2O)C[C@H]1CCCN1C	817373838	OVPGOQHSOUUGNW-IUODEOHRSA-N	292.379	1.344	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)C2(CN(C)C)CC2)c1	821065615	PSTRDBFZUJQUQJ-NSHDSACASA-N	292.379	1.920	10	20	CDCD	
C[C@@H](NC(=O)[C@H]1CCCc2nn[nH]c21)c1ccccc1O	827952448	SRLRIQSPXVMNDN-KOLCDFICSA-N	286.335	1.808	10	20	CDCD	
C[C@@H](NC(=O)CCc1cnc[nH]1)c1ccccc1O	827940901	KHYYSNXQPWZMPI-SNVBAGLBSA-N	259.309	1.925	10	20	CDCD	
CC[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)O	820411812	XZYLFVNEQRYHND-XTULLQBASA-N	265.265	1.090	10	20	CDCD	
CCOCCOC[C@H](O)CN[C@H]1CCc2cccc(O)c21	834783260	DABCKOVRADSIDL-KGLIPLIRSA-N	295.379	1.383	10	20	CDCD	
C[C@H]1COC[C@H]1NC(=O)c1c(F)ccc(O)c1O	900676763	IHFDQIUYLPOYKD-POYBYMJQSA-N	255.245	1.002	10	20	CDCD	
CS(=O)(=O)CCCOC(=O)c1cc(O)cs1	732353172	NCRAQFYSFZHDMN-UHFFFAOYSA-N	264.324	1.045	10	20	CDCD	
C[C@H]1CN(CCCNC(=O)c2cc(O)cs2)C[C@H](C)O1	731867711	QPFHIVFOMXEXCM-QWRGUYRKSA-N	298.408	1.683	10	20	CDCD	
CC(C)SCC(=O)NCc1ccc(O)cc1O	910951090	AJGOTVWMOWBERD-UHFFFAOYSA-N	255.339	1.856	10	20	CDCD	
Cc1nnc2ccc(C(=O)NCc3ccccc3O)cn12	749941024	BCBAOFJJOXTTQQ-UHFFFAOYSA-N	282.303	1.673	10	20	CDCD	
Cc1ncc2n1C[C@H](C(=O)NCCc1ccc(N)cc1)CC2	911783807	ZBXSQEWSWSFUMG-CQSZACIVSA-N	298.390	1.695	10	20	CDCD	
CC[C@@H](N)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	843483824	FKXRDXSPSAKPJB-ZIAGYGMSSA-N	292.379	1.637	10	20	CDCD	
CCN(CC)c1ccc(CN(C)C(=O)NCCN)cc1	841921968	VSFPGARMZKCFIX-UHFFFAOYSA-N	278.400	1.633	10	20	CDCD	
COCCNCCNCc1c(O)cccc1Cl	841047718	HKZICUNQBCYFDV-UHFFFAOYSA-N	258.749	1.371	10	20	CDCD	
CCOc1cccc(CN[C@H](CO)CCF)c1O	846098052	YMJYRDRKSWBMAO-NSHDSACASA-N	257.305	1.601	10	20	CDCD	
C[C@H](NC(=O)NCC(C)(C)N)c1ccc(N(C)C)cc1	841883280	VEOPUQVLJMNREQ-NSHDSACASA-N	278.400	1.850	10	20	CDCD	
COc1ccc(N(C)CCN(C)C(=O)c2cnc[nH]2)cc1	846447622	RYKPPKFDPZPNEK-UHFFFAOYSA-N	288.351	1.627	10	20	CDCD	
COc1ccc(CNC[C@@H]2CNCCCO2)cc1C	841087242	SCDZGERXHRBCBL-AWEZNQCLSA-N	264.369	1.472	10	20	CDCD	
COC[C@H](O)CN[C@@H](C)c1cccc(OC)c1O	846168339	SOPKSBXHNJZQML-VHSXEESVSA-N	255.314	1.059	10	20	CDCD	
COCCOC[C@@H]1CCN(C(=O)c2cc(O)cs2)C1	743750094	GHTLQKUBQXVPDP-SNVBAGLBSA-N	285.365	1.579	10	20	CDCD	
CC[C@@H](CO)N1CCN(c2ccc(OC)c(F)c2)CC1	929820375	CVLUVJIVEMBPIE-LBPRGKRZSA-N	282.359	1.727	10	20	CDCD	
C[C@@H]1CC[C@H](CNC(=O)NCCc2ccc(N)cc2)O1	841915161	MTPYIOSXHNILMM-BXUZGUMPSA-N	277.368	1.678	10	20	CDCD	
CCOc1cccc(CN[C@@H](C)C(=O)N(C)OC)c1O	858320656	YFJJVPQMOQUUAS-JTQLQIEISA-N	282.340	1.289	10	20	CDCD	
COC(=O)NCCC(=O)NCc1cc(C)ccc1O	862759805	IWXBVORIXHSCSY-UHFFFAOYSA-N	266.297	1.063	10	20	CDCD	
O=C(N[C@H](CCO)c1ccco1)c1cc(O)cs1	769653237	KWKIGHDEBVJYGQ-SECBINFHSA-N	267.306	1.900	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)NCCC2CC(O)C2)c1	762652218	XDMJBTHPDDHTCU-XSRFYTQQSA-N	293.363	1.990	10	20	CDCD	
CCOc1ccc(CN2CCN(CCOC)CC2)c(O)c1	768220952	VDDRYGCCDPNTSC-UHFFFAOYSA-N	294.395	1.555	10	20	CDCD	
Cn1nccc1CCOC(=O)c1cc(O)cs1	873358588	AMGAZZUGFJRHKE-UHFFFAOYSA-N	252.295	1.587	10	20	CDCD	
COc1ccc(N(CC(=O)O)CC(=O)NC(C)(C)C)cc1	872885832	PKEGXUUMNUWFPK-UHFFFAOYSA-N	294.351	1.501	10	20	CDCD	
OC1CCN(c2ccc(CN[C@H]3C[C@@H](O)C3)cc2)CC1	877574088	AIEBIBADIQUPLY-AKAXFMLLSA-N	276.380	1.261	10	20	CDCD	
CCOC(=O)c1noc(CN[C@H](C)c2ccccc2O)n1	879649295	MWBZCGLAYMYDCW-SECBINFHSA-N	291.307	1.803	10	20	CDCD	
Cc1nnc(NCc2ccc(N3CCOCC3)cc2)nc1C	772643392	KVLRFEFSNFXEIC-UHFFFAOYSA-N	299.378	1.937	10	20	CDCD	
Cc1ocnc1CNC(=O)/C=C/c1ccc(O)c(O)c1	779539494	GBTGKSQIYABRPF-HWKANZROSA-N	274.276	1.724	10	20	CDCD	
O=C(NCC[C@H](O)C1CCCC1)c1c(F)ccc(O)c1O	881450430	GNCBZJVXIDRABQ-NSHDSACASA-N	297.326	1.908	10	20	CDCD	
COCC1(C(=O)NCc2cccc(O)c2O)CCCC1	1123888811	LOPGCCILHTULMN-UHFFFAOYSA-N	279.336	1.921	10	20	CDCD	
C[C@H](NCc1cc(F)cc(F)c1O)[C@@H]1CN(C)CCO1	883051691	KMIRWPJCKWDMFM-ZANVPECISA-N	286.322	1.479	10	20	CDCD	
CN(CCOCCO)Cc1cc(F)cc(F)c1O	894672974	YWEAPRMLPOUVAE-UHFFFAOYSA-N	261.268	1.111	10	20	CDCD	
COc1ccc(CNCCN2CCC[C@H]2C)c(O)c1OC	893355315	CSLTYGOWKDGGIP-GFCCVEGCSA-N	294.395	1.983	10	20	CDCD	
COc1cc(CN2CCCNC(=O)[C@@H]2C)c(O)cc1C	788046741	JQXJUKIYMPUZAI-NSHDSACASA-N	278.352	1.420	10	20	CDCD	
CO[C@H]1CN(Cc2c(O)ccc(Cl)c2F)CCO1	895968357	MFEXWEHUNUMFCT-LLVKDONJSA-N	275.707	1.989	10	20	CDCD	
C[C@@H]1NC(=O)[C@@H](C)N(Cc2cc(F)ccc2O)[C@@H]1C	895119100	VGVMPHMYJRUPAQ-IVZWLZJFSA-N	266.316	1.629	10	20	CDCD	
CCNC(=O)[C@@H](C)N[C@H](CC)c1ccccc1O	36794789	SYKQWUHCGZPJKY-ZYHUDNBSSA-N	250.342	1.958	10	20	CDCD	
O=C(OCc1cnc(Cl)cn1)c1cccc(O)c1O	798652603	CCWMIYKXFHDWFY-UHFFFAOYSA-N	280.667	1.898	10	20	CDCD	
CN(C)c1ccc(CN2CCC(NCCO)CC2)cc1	686274912	JMWZEQGGBHBWNJ-UHFFFAOYSA-N	277.412	1.299	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1NC[C@@H]2C[C@@H]21	1348838061	TWEWRKQWIOFIMJ-AEGPPILISA-N	273.380	1.285	10	20	CDCD	
Cn1ncc2c1C[C@H](C(=O)NCc1ccc(N)cc1)CC2	1356228132	OSLNZIICSSSZRS-GFCCVEGCSA-N	284.363	1.424	10	20	CDCD	
C[C@@]1(CO)C[C@H](O)CN1Cc1ccc(N2CCCC2)cc1	1353562127	SYWNLJQGGWTCLR-IRXDYDNUSA-N	290.407	1.604	10	20	CDCD	
CS(=O)(=O)[C@H]1CCCN(Cc2ccc(N)cc2)CC1	1352788090	BMSNHISQZPAKGD-AWEZNQCLSA-N	282.409	1.668	10	20	CDCD	
Cc1ccc(CN2CCN(C)C[C@@H](C(=O)O)C2)c(O)c1	1600413616	MVFXWMLZRVFUHN-CYBMUJFWSA-N	278.352	1.149	10	20	CDCD	
O=C(O)[C@H](Cc1cncs1)NCc1cc(F)ccc1O	1601662017	IPYQGOYFIRHRKO-NSHDSACASA-N	296.323	1.773	10	20	CDCD	
O=C(O)C1=NO[C@]2(CCN(Cc3cc(F)ccc3O)C2)C1	1601746460	IAOSKKIJRKPSTR-CQSZACIVSA-N	294.282	1.337	10	20	CDCD	
C[C@](O)(CNCc1ccc2ccccc2c1O)C(=O)O	1609972123	BMOHNBKNHGBJQQ-HNNXBMFYSA-N	275.304	1.471	10	20	CDCD	
C[C@H](N[C@H](C)CCCN)c1cc(C(=O)O)ccc1O	1604131672	BJOVOMYTAGULDJ-ZJUUUORDSA-N	266.341	1.868	10	20	CDCD	
C[C@@H](N[C@@H]1CCOC1)c1cccc(-c2nn[nH]n2)c1O	1589973606	HVMIMSFZJXPPBV-RKDXNWHRSA-N	275.312	1.012	10	20	CDCD	
O=C(O)[C@H]1CCC[C@H]1NCc1cc([N+](=O)[O-])ccc1O	1777660651	FURWBLIRYHQDJC-WDEREUQCSA-N	280.280	1.643	10	20	CDCD	
CN(C)c1ccc(CN[C@H](C[C@H]2CCOC2)C(=O)O)cc1	1777039532	ARMFIMGXFXAGNQ-UKRRQHHQSA-N	292.379	1.722	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)[C@H](O)c1ccccc1	157958300	IFVFGHMTLURIPW-OAHLLOKOSA-N	287.315	1.490	10	20	CDCD	
Cn1cc(NCc2ccc(N3CCOCC3)cc2)cn1	35737540	KFLIFHIWULHQTO-UHFFFAOYSA-N	272.352	1.869	10	20	CDCD	
CC[C@@]1(O)CCCN(C(=O)c2cccc(O)c2O)C1	710581019	GJMDZTKADMMGCF-CQSZACIVSA-N	265.309	1.475	10	20	CDCD	
COc1ccc(O)c(CN(C2CC2)[C@@H](C)C(=O)O)c1	1594104930	ABJIYMCDEHBPBG-VIFPVBQESA-N	265.309	1.838	10	20	CDCD	
CC1(CNCc2ccc(N3CCOCC3)c(F)c2)COC1	112711697	QEZVSYGGMBPTIA-UHFFFAOYSA-N	294.370	1.788	10	20	CDCD	
COCCOCCN(C)c1ccc2c(c1)OCO2	178880842	LYQLMQBALCKHSY-UHFFFAOYSA-N	253.298	1.515	10	20	CDCD	
COC(=O)CC(C)(C)NCc1cc(OC)ccc1O	181330416	UVEFAHXWJRQWCS-UHFFFAOYSA-N	267.325	1.832	10	20	CDCD	
CN(CCS(C)(=O)=O)Cc1cc(Cl)ccc1O	156085894	WDTXJVITFOKUPD-UHFFFAOYSA-N	277.773	1.522	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCn1cccn1	183437504	VJVNHMIKBSBVKQ-LLVKDONJSA-N	289.335	1.432	10	20	CDCD	
Cc1cccc(CN2CCNC(=O)[C@H]2C(C)C)c1O	180042938	VRHLABUIBIQIKL-CYBMUJFWSA-N	262.353	1.657	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2ccc(=O)n(C)c2)cc1	77657979	RRURKHCFSDHYTP-UHFFFAOYSA-N	285.347	1.381	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)C1CCC(O)CC1	194476204	AORNQAVWTXOCQA-UHFFFAOYSA-N	279.336	1.308	10	20	CDCD	
CCCN(C)S(=O)(=O)NCc1ccccc1O	269676908	FOMPIKQVAUVTJW-UHFFFAOYSA-N	258.343	1.068	10	20	CDCD	
CC1(C)C[C@@H](NC(=O)c2c(F)ccc(O)c2O)C(=O)O1	276554959	KVHOBNUIWNWVQM-SSDOTTSWSA-N	283.255	1.061	10	20	CDCD	
CC[C@H](C)[C@@H](O)CNCc1ccc([N+](=O)[O-])c(OC)c1O	278950232	ZHCWEXNNVXJRIS-CABZTGNLSA-N	298.339	1.806	10	20	CDCD	
CCCNC(=O)CN[C@@H](C)c1cc(C(=O)OC)ccc1O	273387143	JWBVUGRSIZPSEC-JTQLQIEISA-N	294.351	1.356	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N[C@H]1CCSC1	272712111	YCIURTIWYUSVBW-YWNRKNDBSA-N	265.334	1.733	10	20	CDCD	
COc1cccc(CN2C[C@@H](C)O[C@@]3(CCOC3)C2)c1O	280310946	PRHCBDQMZGVPFE-WBMJQRKESA-N	293.363	1.781	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)OCC(=O)C(F)F	800186547	FDCBEXAHIVLMNV-DUXPYHPUSA-N	272.203	1.488	10	20	CDCD	
CCOC1CN(C(=O)c2ccc(C)c(O)c2O)C1	294748930	INMXTJFTAOPIMJ-UHFFFAOYSA-N	251.282	1.267	10	20	CDCD	
C[C@H](O)CNc1cc(NCc2ccccc2O)ncn1	298245090	MHVRTECQJZHELA-JTQLQIEISA-N	274.324	1.587	10	20	CDCD	
O=C(N[C@@H]1CCCCC[C@H]1O)c1c(F)ccc(O)c1O	295555940	SPLDSLIWSFPVMF-NXEZZACHSA-N	283.299	1.660	10	20	CDCD	
Oc1cccc2c1[C@H](NC[C@H](O)C1CCOCC1)CC2	296733226	JBRGYAPUJQYNIO-HIFRSBDPSA-N	277.364	1.757	10	20	CDCD	
Cn1nncc1CNCc1c(O)ccc(Cl)c1F	808436407	FOQLMUUTVQLZIG-UHFFFAOYSA-N	270.695	1.603	10	20	CDCD	
C[C@@H](NC[C@H](N)c1ccc(N(C)C)cc1)[C@@H]1CCCCN1	817943851	WAYZRDNYXANXQP-COXVUDFISA-N	290.455	1.873	10	20	CDCD	
CCCN1C[C@H](CNCc2ccccc2O)CC1=O	817410848	INFOMGDBVFEMAE-LBPRGKRZSA-N	262.353	1.740	10	20	CDCD	
CS(=O)(=O)CCNCCCSc1nccs1	819063617	ODHZVZWTKGHMDT-UHFFFAOYSA-N	280.440	1.260	10	20	CDCD	
COc1cccc(CNc2ncnc3c2ncn3C)c1O	727432160	CXTNOLSTZJHBGS-UHFFFAOYSA-N	285.307	1.690	10	20	CDCD	
Cc1nnc(CN(C)Cc2cc3c(cc2O)OCO3)o1	827039321	OLBUTINVWVBLDW-UHFFFAOYSA-N	277.280	1.444	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CC2(O)CCC2)cc1F	822862610	ITEVGFJJPQNDEK-UHFFFAOYSA-N	280.343	1.813	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNC[C@@H](O)C2CCC2)c1O	825239639	ACJFGJUHJDONTE-GFCCVEGCSA-N	296.323	1.560	10	20	CDCD	
C[C@]1(CNC(=O)c2c(F)ccc(O)c2O)CCCO1	826804716	BSXMVNJNMFBCRZ-CYBMUJFWSA-N	269.272	1.536	10	20	CDCD	
Cc1cc(CC(=O)N[C@H](C)c2ccccc2O)n[nH]1	827937199	OIQBOPCSWCBPPM-SNVBAGLBSA-N	259.309	1.844	10	20	CDCD	
C/C=C\C[C@H](CO)NCc1ccc(N2CCOCC2)cc1	588489591	WLTRUXLSIDAHOF-RXYHWBRQSA-N	290.407	1.940	10	20	CDCD	
CN(C)CCOc1ccc(N(C)Cc2cnn(C)c2)cc1	732410998	PJRMZFUJMVACEG-UHFFFAOYSA-N	288.395	1.997	10	20	CDCD	
COc1ccc(O)c(CNc2ncnc3c2ncn3C)c1	733994163	BFLVJWFEVFWIAT-UHFFFAOYSA-N	285.307	1.690	10	20	CDCD	
O=C(N[C@@H]1CCN2CCC[C@@H]2C1)c1cc(O)cs1	732273084	VSZVHHUMSUNDAV-NXEZZACHSA-N	266.366	1.810	10	20	CDCD	
C[C@@H](O)[C@H](NC/C=C\c1ccc(N(C)C)cc1)C(=O)O	904045136	HMPYSESYHBFWRF-VRLOJBFMSA-N	278.352	1.189	10	20	CDCD	
C[C@H](N[C@H]1COC[C@@H]1C)c1cc([N+](=O)[O-])ccc1O	903394560	DFECEXMRSWCEIH-AUTRQRHGSA-N	266.297	1.986	10	20	CDCD	
CC[C@H](C)C(=O)N(CC(=O)O)Cc1ccccc1O	911484503	CQENKDRYVBXVSF-JTQLQIEISA-N	265.309	1.852	10	20	CDCD	
c1cc2c(cc1CN[C@H]1CC13CCNCC3)CCO2	841081159	XDGWDWNULFVWQD-HNNXBMFYSA-N	258.365	1.853	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)N[C@@H](C)CN	841982369	ATNDTZFAUVNMEA-NSHDSACASA-N	265.357	1.661	10	20	CDCD	
CC[C@H](N)CNC1CCN(c2ccc(OC)cc2)CC1	841071671	HZYBWEOGOTUFAS-ZDUSSCGKSA-N	277.412	1.991	10	20	CDCD	
CCc1cccc(CNC2(CCO)CCN(C)CC2)c1O	848903323	PQRCEHDHKYNTNA-UHFFFAOYSA-N	292.423	1.891	10	20	CDCD	
COc1cc(O)c(CNC[C@H]2CCCNC2)cc1OC	841032626	IFMQAPRJQDCMCY-NSHDSACASA-N	280.368	1.499	10	20	CDCD	
CC(=O)NCCN(C)Cc1c(O)ccc(Cl)c1F	843428403	WAAHVCLDFNFTLJ-UHFFFAOYSA-N	274.723	1.753	10	20	CDCD	
COCCOC[C@H](C)NC(=O)NCCc1ccc(N)cc1	841837060	NMJZKBGNEGLFFA-LBPRGKRZSA-N	295.383	1.162	10	20	CDCD	
CC(C)[C@@H](N)CNCc1ccc(N(C)C)c(F)c1	841028861	JCAQTZBDSRCLKT-ZDUSSCGKSA-N	253.365	1.965	10	20	CDCD	
CCCN1CC(=O)N[C@@H]1c1cc(OC)ccc1O	840822447	NPUBBIANIKAVML-ZDUSSCGKSA-N	250.298	1.241	10	20	CDCD	
CN1CC=C(CNC(=O)NCCc2ccc(N)cc2)CC1	841960309	LUKCGAFRCMAMGJ-UHFFFAOYSA-N	288.395	1.372	10	20	CDCD	
CCS(=O)(=O)CCCNCc1cc(F)ccc1O	840973323	ISXFVCWJXFUZHO-UHFFFAOYSA-N	275.345	1.446	10	20	CDCD	
CC(=O)C(=O)COc1c([N+](=O)[O-])cnc(C)c1C	849907749	HLMDQMFMTGEBJX-UHFFFAOYSA-N	252.226	1.144	10	20	CDCD	
C[C@H](NC(=O)NC(C)(C)C(=O)O)c1ccc(N(C)C)cc1	929044907	OSHCXXQYEFUOIC-JTQLQIEISA-N	293.367	1.976	10	20	CDCD	
CC(=O)N1CC[C@@H](N[C@@H](C)c2cc(F)ccc2O)C1	857084364	OKZBVGTVFCMUFD-JOYOIKCWSA-N	266.316	1.803	10	20	CDCD	
Cc1ccc(C(=O)N2CC[C@@H](N(C)C)[C@H]2C)c(O)c1O	854651953	FHFORBAAPKESIM-ZYHUDNBSSA-N	278.352	1.571	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H](CC)NC(C)=O	935944202	NHJRQCLGBDLSSO-LLVKDONJSA-N	299.367	1.409	10	20	CDCD	
Cc1ncnc(O)c1CCC(=O)NCc1ccccc1O	1115925841	ZSEWUKCWMRMJPW-UHFFFAOYSA-N	287.319	1.445	10	20	CDCD	
Cc1ccc(CNCCS(=O)(=O)C2CC2)c(O)c1	877591243	PZCZJUWQWUXFLP-UHFFFAOYSA-N	269.366	1.367	10	20	CDCD	
CN(C(=O)[C@H]1CCCN1c1ncccn1)c1ccc(N)cc1	877075723	FYEIPTXUVSENJA-CQSZACIVSA-N	297.362	1.691	10	20	CDCD	
OCC1(CNCc2ccc(N3CCC(O)CC3)cc2)CC1	877078411	OWNHUHRXWOVFLS-UHFFFAOYSA-N	290.407	1.510	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1ccc(N)nc1	876767657	OCPGCNMTOXLKFR-UHFFFAOYSA-N	284.363	1.968	10	20	CDCD	
CC[C@](C)(CO)NCc1ccc(N2CCC(O)CC2)cc1	877143698	WILFGRDIAMUCAU-QGZVFWFLSA-N	292.423	1.898	10	20	CDCD	
COc1cc(C)cc(CN[C@H](C)CS(C)(=O)=O)c1O	1119510638	VXOWUEXSNMQBMD-SNVBAGLBSA-N	287.381	1.232	10	20	CDCD	
CCOc1ccc(CN2CCC(CO)(OC)CC2)c(O)c1	775204774	QYKJSTPNRKPSHP-UHFFFAOYSA-N	295.379	1.764	10	20	CDCD	
Oc1c(Cl)cccc1CN1C[C@@H]2CNC[C@@H]2C1	775746899	HKIBIYJXKQVVAC-PHIMTYICSA-N	252.745	1.697	10	20	CDCD	
CNS(=O)(=O)CCCN[C@@H](C)c1ccc(N(C)C)cc1	775833942	HYOBVOOKPXNYLO-LBPRGKRZSA-N	299.440	1.343	10	20	CDCD	
COc1ccc(CNCCNC(=O)CSC)cc1C	1123173080	QIWIFDPNZBEPFW-UHFFFAOYSA-N	282.409	1.572	10	20	CDCD	
COc1cc(C)cc(CN[C@@H]2COC[C@@H]2C)c1O	896732878	LKZUGQBDHZFVCI-CMPLNLGQSA-N	251.326	1.834	10	20	CDCD	
COc1cc(C)cc(CNC[C@H]2C[C@@H](O)C2)c1O	895404285	DAGXEBSDYIQCMF-KLPPZKSPSA-N	251.326	1.570	10	20	CDCD	
O=C(O)[C@@]1(NCc2ccc3c(c2)CCCO3)CCOC1	900035804	NKCFRBIEHJQSKB-OAHLLOKOSA-N	277.320	1.345	10	20	CDCD	
C[C@](O)(CNC(=O)c1cccc(O)c1O)C(F)(F)F	280005132	VRVYSOLWMXBMRO-JTQLQIEISA-N	279.214	1.141	10	20	CDCD	
Cc1n[nH]c(C)c1CC(=O)NCc1ccccc1O	706334074	CIWGFTJEYUPWNU-UHFFFAOYSA-N	259.309	1.591	10	20	CDCD	
COc1ccc(CNC[C@]2(C)CCOC2)c(O)c1OC	1333685281	PAQHYINXZPDWJO-HNNXBMFYSA-N	281.352	1.926	10	20	CDCD	
CN(CC(C)(C)N)C(=O)NCc1ccc(N)cc1	1335724743	JZMLTHCCOWDCBX-UHFFFAOYSA-N	250.346	1.148	10	20	CDCD	
C[C@H](N)[C@H]1CCCN(C(=O)NCc2ccc(N)cc2)C1	1262603823	WNLUNRLWMPLHMP-AAEUAGOBSA-N	276.384	1.538	10	20	CDCD	
CC1(C)CN(C(=O)NCc2ccc(N)cc2)CCN1	1353539624	OPGRURFDEIDMEY-UHFFFAOYSA-N	262.357	1.162	10	20	CDCD	
O=C(O)/C=C/c1ccc(N2CC=C[C@@H]2CO)c([N+](=O)[O-])c1	1601880630	DPZWVSSSKNQNGY-DUMNWFOQSA-N	290.275	1.430	10	20	CDCD	
CC[C@H]1C[C@H](C(=O)NCc2cccc(O)c2O)CC(=O)N1	1548791591	BTQDKVAMHMNMRS-QWRGUYRKSA-N	292.335	1.019	10	20	CDCD	
CCNC(=O)[C@@H](C)N[C@@H](C)c1cc(C(=O)O)ccc1O	1610006967	DCTBMLNBEXEFHP-DTWKUNHWSA-N	280.324	1.266	10	20	CDCD	
C[C@@H](CSc1ncc(C(=O)O)s1)S(C)(=O)=O	1592833053	ZKESIAKLYHPTAU-YFKPBYRVSA-N	281.380	1.367	10	20	CDCD	
Cn1nccc1[C@@H](NCc1cccc(F)c1O)C(=O)O	1594595721	RQUNNYFPMYAPBX-LLVKDONJSA-N	279.271	1.180	10	20	CDCD	
COc1cccc(CN[C@H](C)Cc2cnn(C)c2)c1O	809740460	ZLCFNIDMVFCAJY-LLVKDONJSA-N	275.352	1.855	10	20	CDCD	
C[C@@H](NC(=O)c1cccc(O)c1O)[C@H](O)C(F)(F)F	819566868	SUFMTZSGQDYJFG-ANLVUFKYSA-N	279.214	1.139	10	20	CDCD	
C[C@@H](O)C[C@@H]1CCCCN1C(=O)c1cccc(O)c1O	126644274	FBUNEXTZTWHNLG-MNOVXSKESA-N	279.336	1.863	10	20	CDCD	
Nc1ccc(CCNC(=O)CC[C@H]2CCOC2)cc1	152545149	AIOPCUBAEMSUDX-ZDUSSCGKSA-N	262.353	1.744	10	20	CDCD	
COc1cccc(CNC[C@H]2CCCN(C)C2)c1O	44534392	PCXNQGZYYRIMKT-GFCCVEGCSA-N	264.369	1.832	10	20	CDCD	
CCOc1cccc(CNC[C@](C)(O)CCOC)c1O	172070705	UKDFJHKGVNNEMA-OAHLLOKOSA-N	283.368	1.668	10	20	CDCD	
COc1ccc(N2CCN(CCC[C@H](C)O)CC2)cc1	45619321	UROFLIRSLJPVKP-AWEZNQCLSA-N	278.396	1.978	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@H]2NCC2(C)C)cc1	710018587	UMPUGWZXFUTRAT-ZDUSSCGKSA-N	261.369	1.367	10	20	CDCD	
CCc1cccc(CNCCN2CCCC2=O)c1O	691473054	GJNICNZGKQYUJW-UHFFFAOYSA-N	262.353	1.667	10	20	CDCD	
CN(Cc1ccc(N2CCOCC2)cc1)Cn1cnnc1	118979726	AZLUPONVHVGQTF-UHFFFAOYSA-N	287.367	1.204	10	20	CDCD	
O=C(NCCCSc1nccs1)[C@@H]1CCOC1	114140079	KQEQNYOETUGWDX-SECBINFHSA-N	272.395	1.778	10	20	CDCD	
CS[C@@H](C)CNCc1cc2c(cc1O)OCO2	128174692	LVSBGMSEPBNFAM-QMMMGPOBSA-N	255.339	1.962	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC[C@@H](O)Cn2cccn2)c1	182447145	LAZHNNWFVCVNIV-VXGBXAGGSA-N	291.351	1.309	10	20	CDCD	
CCC(CC)(CN)C(=O)NCc1ccccc1O	228420524	OCLFICXVAPZHIY-UHFFFAOYSA-N	250.342	1.774	10	20	CDCD	
Cc1cccc(CN2C[C@@H](CO)O[C@H](C)C2)c1O	191519794	FYDWHSXQRZHUSY-YPMHNXCESA-N	251.326	1.282	10	20	CDCD	
CNS(=O)(=O)[C@H]1CCN(Cc2cc(C)c(C)cc2O)C1	138331092	HWPPMELILFCSIY-ZDUSSCGKSA-N	298.408	1.133	10	20	CDCD	
CCCC[C@H](NC(N)=O)C(=O)NCCc1ccc(N)cc1	262574350	HOEKHCPJBFYRBD-ZDUSSCGKSA-N	292.383	1.155	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@H]1CCc2cn[nH]c2C1	266475549	BLZHTPKCKFSHTE-NSHDSACASA-N	285.347	1.879	10	20	CDCD	
CC[C@@H](C)NC(=O)CCNC(=O)c1c(F)ccc(O)c1O	276618927	QMHIFKGSDFMQOB-MRVPVSSYSA-N	298.314	1.272	10	20	CDCD	
CCNC(=O)[C@H](C)N[C@H](C)c1cc(C(=O)OC)ccc1O	273377005	HKFOSTNVAMZSPD-ZJUUUORDSA-N	294.351	1.354	10	20	CDCD	
CCOC(=O)CN(C)Cc1cc2c(cc1O)OCO2	271062831	YRFLXQJECDGPBU-UHFFFAOYSA-N	267.281	1.116	10	20	CDCD	
CCN(CCOCCO)Cc1cccc(Cl)c1O	282731704	MJNDRZXEXBFIAY-UHFFFAOYSA-N	273.760	1.876	10	20	CDCD	
CC(=O)C(=O)COC(=O)c1cc(=O)c2ccccc2o1	808488372	UGQNRXQJVUHZIH-UHFFFAOYSA-N	274.228	1.108	10	20	CDCD	
COC[C@H](O)CN[C@@H](C)c1cc(F)cc(F)c1O	802310412	SCQLQSACYAJHHN-IONNQARKSA-N	261.268	1.328	10	20	CDCD	
CCN(CC)c1ccc(CN2CC(=O)N[C@H](C)C2)cc1	295054886	PUZUUZCZTZAMQL-CYBMUJFWSA-N	275.396	1.853	10	20	CDCD	
COc1cc(OC)cc(C(=O)OCC(=O)C(C)=O)c1	808488394	FWXLKJCGERNFDL-UHFFFAOYSA-N	266.249	1.019	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)NCc1cncn1C	292342918	NSUQJRSAQOACLM-UHFFFAOYSA-N	274.324	1.467	10	20	CDCD	
O=C(NCc1ccccc1O)NC[C@H]1CCN(C2CC2)C1	299465134	AYXBVOVEWWOQRK-GFCCVEGCSA-N	289.379	1.676	10	20	CDCD	
COc1ccc(O)c(CNC(=O)C[C@H](C)n2cccn2)c1	819397336	AMTDXYSELXMKIC-NSHDSACASA-N	289.335	1.865	10	20	CDCD	
C[C@]1(C(=O)O)CCN(C(=O)c2cc(O)cs2)C1	828012642	IDWZAORLBLOLLV-NSHDSACASA-N	255.295	1.391	10	20	CDCD	
O=C(O)[C@@H]1CN(Cc2cccc(Cl)c2O)CCO1	821512423	ICFZGKCQQQZAHR-JTQLQIEISA-N	271.700	1.331	10	20	CDCD	
C[C@@H](NC(=O)[C@@H](O)c1cnn(C)c1)c1ccccc1O	827946542	LIQZFUQTYVDJRL-RNCFNFMXSA-N	275.308	1.037	10	20	CDCD	
C[C@@H](NC(=O)/C=C/CN1CCOCC1)c1ccccc1O	827947001	XYKDHRFSVVKKIV-WXJAXGNASA-N	290.363	1.458	10	20	CDCD	
COc1ccc(N(C)CCNC(=O)NC(C)C)c(OC)c1	828093822	AYJDAYTYEGWGGA-UHFFFAOYSA-N	295.383	1.848	10	20	CDCD	
C[C@H]1CCCN1CCNC(=O)c1c(F)ccc(O)c1O	828833424	GCNFVOMQSWBACA-VIFPVBQESA-N	282.315	1.451	10	20	CDCD	
CCOc1ccc(CN2CC[C@@H](O)[C@H]2C)c(O)c1	825103043	BNKYQSLUGSKFQL-ZWNOBZJWSA-N	251.326	1.746	10	20	CDCD	
CN1C(=O)C2(CCCC2)N[C@@H]1c1ccc(O)c(O)c1	731853144	CXQFBZUCOHOSGL-LBPRGKRZSA-N	262.309	1.471	10	20	CDCD	
O=C(O)C[C@@]1(NCc2ccc3c(c2)CCO3)CCCOC1	901527926	WKLOLJPQGZMHFO-INIZCTEOSA-N	291.347	1.735	10	20	CDCD	
CC[C@H](NC(=O)c1c(F)ccc(O)c1O)[C@@H](C)O	839783415	YYRHWOZGECTTBT-SVRRBLITSA-N	257.261	1.126	10	20	CDCD	
COC(=O)[C@H](CC1CC1)NC(=O)c1cc(O)cs1	839815665	AJEBFEBQZKHNOM-VIFPVBQESA-N	269.322	1.525	10	20	CDCD	
COc1cccc(CN[C@H]2C[C@H]3CCCCN3C2=O)c1O	835075124	VTSQJZXWEINURO-OLZOCXBDSA-N	290.363	1.644	10	20	CDCD	
COc1ccc(O)c(CNC(=O)NC[C@@H]2CC[C@@H](C)O2)c1	838475298	YKSGRTLPEIGTDC-MFKMUULPSA-N	294.351	1.768	10	20	CDCD	
Cc1noc([C@@H](C)N(C)C(=O)Cc2ccc(N)cc2)n1	848436512	UIQVTGSPYKVKSR-SECBINFHSA-N	274.324	1.722	10	20	CDCD	
CC(C)C[C@@H](N)C(=O)NC[C@H](N)c1ccc(N(C)C)cc1	841846761	TYNKZAGSGWWKEU-CABCVRRESA-N	292.427	1.242	10	20	CDCD	
C[C@H]1OCCN(C(=O)NCCc2ccc(N)cc2)[C@@H]1C	841960370	OHLAJUOEFKTUQP-VXGBXAGGSA-N	277.368	1.630	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CCC(=O)C2)c1	843831778	REHBPCBLFCEKBY-ZJUUUORDSA-N	277.320	1.947	10	20	CDCD	
CC(C)[C@@H]1CN(C(=O)NCCc2ccc(N)cc2)CCO1	841960560	SMKFTIFWZAEXPQ-HNNXBMFYSA-N	291.395	1.878	10	20	CDCD	
CN[C@@H]1CCN(Cc2ccc(N3CCOCC3)c(F)c2)C1	843045458	RUGDLZCCYLNGKY-CQSZACIVSA-N	293.386	1.456	10	20	CDCD	
CCN(C)S(=O)(=O)NCc1cc(Cl)ccc1O	845996382	OWHVDBUJIWOQKP-UHFFFAOYSA-N	278.761	1.332	10	20	CDCD	
O=C(CCCn1cccn1)NCc1ccccc1O	748841678	PKBSEYMFSKCJLH-UHFFFAOYSA-N	259.309	1.685	10	20	CDCD	
C[C@H](NCCCS(C)(=O)=O)c1cc(F)cc(F)c1O	756535815	ROXYUTHMJKGLPK-QMMMGPOBSA-N	293.335	1.756	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCC(Cn2ccnn2)CC1	753845670	GNSCNXPAEGMAIQ-UHFFFAOYSA-N	292.364	1.598	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)NC[C@H]2COCO2)c1	923856525	PWMXFARDRNYBBI-ONGXEEELSA-N	296.323	1.134	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC[C@@H]2CCC(=O)O2)c1	851900340	SIKPWLDRIYKKER-ONGXEEELSA-N	265.309	1.757	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2[nH]c(C)nc2C)c1	857125989	PPXNEYRVZQMZMV-UHFFFAOYSA-N	275.308	1.671	10	20	CDCD	
COCCN(Cc1cnon1)c1ccc(OC)c(OC)c1	851846801	IKRPPIZAYSIRLF-UHFFFAOYSA-N	293.323	1.740	10	20	CDCD	
CO[C@]1(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2O)CCOC1	763575197	RBQICTJLUVCXRU-HZMBPMFUSA-N	296.323	1.757	10	20	CDCD	
C[C@H](NCC1OCCO1)c1ccc(N(C)C)cc1	775836058	XXTVUDPTZVGUED-NSHDSACASA-N	250.342	1.776	10	20	CDCD	
CCCOc1ccc(CNC[C@H](O)COC)cc1C	873122502	SRFCMGCOASMUSN-AWEZNQCLSA-N	267.369	1.881	10	20	CDCD	
Cc1cccc(CN2CCC(CO)(CO)CC2)c1O	877798615	ZZWBSXYFRQQQKV-UHFFFAOYSA-N	265.353	1.267	10	20	CDCD	
Cc1cccc(O)c1CN1CCN(C(C)C)C(=O)C1	877185284	RDSLGBOVPWKCEQ-UHFFFAOYSA-N	262.353	1.753	10	20	CDCD	
Cc1cccc(O)c1CNCC[C@@]1(O)CCCOC1	877614654	KTCFGKCLXBQCQY-HNNXBMFYSA-N	265.353	1.722	10	20	CDCD	
CCOc1ccc(N2CCN(CC(C)=O)CC2)cc1	1119252866	RTVWWCIVRKJODA-UHFFFAOYSA-N	262.353	1.796	10	20	CDCD	
CC[C@@H](C[C@@H](C)CO)NC(=O)c1ccc(C)c(O)c1O	780982894	ISOZAXAPWZUTFJ-KOLCDFICSA-N	281.352	1.933	10	20	CDCD	
COc1cccc(CN(C)CC(=O)N2CCCC2)c1O	132706261	RGRFXSRQQDTJAM-UHFFFAOYSA-N	278.352	1.455	10	20	CDCD	
CCOc1ccc(CNCc2nc(N(C)C)no2)c(O)c1	789554437	IBOXMBJHDBDWBH-UHFFFAOYSA-N	292.339	1.530	10	20	CDCD	
COc1cc(C)cc(CNC[C@H](C)N(C)C)c1O	894391090	DXWSAKAHDAKYAP-NSHDSACASA-N	252.358	1.749	10	20	CDCD	
COc1ccc(CN2CC[C@@H](O)[C@H](C)C2)c(O)c1OC	893712257	QOSRSVFXYZHLQX-ZYHUDNBSSA-N	281.352	1.612	10	20	CDCD	
COC[C@@H](CO)N[C@@H](C)c1cc(F)cc(F)c1O	794835404	JSRQUXKSEQMLJJ-IONNQARKSA-N	261.268	1.328	10	20	CDCD	
CCNC(=O)[C@@H](C)NCc1c(O)ccc(Cl)c1F	790948163	YQHXACUPZFFIAZ-SSDOTTSWSA-N	274.723	1.799	10	20	CDCD	
COc1ccc(CNC(=O)CCc2cnccn2)c(O)c1	794376166	CXJZBFCAYNDXMZ-UHFFFAOYSA-N	287.319	1.440	10	20	CDCD	
COCC[C@@](C)(O)CNCc1cccc(OC)c1O	172070747	BFABKNQHRQWFBE-CQSZACIVSA-N	269.341	1.278	10	20	CDCD	
CCOc1ccc(N2CCN(CC[C@H](C)O)CC2)cc1	1347097967	NEVDPICRIMEVJN-AWEZNQCLSA-N	278.396	1.978	10	20	CDCD	
COc1cc(C)cc(CNC[C@@H](O)C(C)C)c1O	1262110180	VGCAXKUNJFDMIZ-GFCCVEGCSA-N	253.342	1.816	10	20	CDCD	
CC(C)(C)OCC(=O)NCc1cccc(O)c1O	1350300874	ZLUDOYMULQCCBF-UHFFFAOYSA-N	253.298	1.529	10	20	CDCD	
O=C(O)c1cn([C@@H]2CCN(Cc3ccccc3O)C2)nn1	1602498621	DIVWWHJNLGLVAT-LLVKDONJSA-N	288.307	1.129	10	20	CDCD	
Cc1cccc(O)c1CNC[C@H]1CCO[C@H]1C(=O)O	1600543432	WDPCMBKWOSHVIK-ZWNOBZJWSA-N	265.309	1.280	10	20	CDCD	
CC(C)(CNCc1ccc(F)c(F)c1O)C(=O)O	1590763108	IDBCBLNLEHCNDP-UHFFFAOYSA-N	259.252	1.871	10	20	CDCD	
COC[C@@H](CCN[C@H](C)c1cc(C(=O)O)ccc1O)OC	1599162602	CIBSQIHPCCOKEP-ZYHUDNBSSA-N	297.351	1.793	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@H]2CSCN2)cc1F	166458354	WPUTURFJWSHKHF-LLVKDONJSA-N	283.372	1.170	10	20	CDCD	
COc1cccc(CN2CCN3C(=O)CC[C@H]3C2)c1O	211633547	NXXKHUUMBDDFPZ-LBPRGKRZSA-N	276.336	1.207	10	20	CDCD	
CN(C)[C@@H]1CCCN(C(=O)c2cccc(O)c2O)C1	126463756	FDYZOYVICIEFNW-SNVBAGLBSA-N	264.325	1.264	10	20	CDCD	
Cc1ccc([C@@H](C)NCC2(O)CCN(C)CC2)c(O)c1	273619360	YOZATFFRZUYLQX-CYBMUJFWSA-N	278.396	1.808	10	20	CDCD	
COc1ccc(CNCC(C)(C)OCCO)cc1C	288521073	URDOBKNUCIEFMU-UHFFFAOYSA-N	267.369	1.881	10	20	CDCD	
CC[C@H]1CN(C(=O)Cc2ccc(N)cc2)[C@H](C)CO1	403706828	GHWHMXRKXVZYNE-RISCZKNCSA-N	262.353	1.837	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CC[C@H](N)C2)c1O	50242546	DCBPVBDPHQXUJH-NSHDSACASA-N	252.289	1.267	10	20	CDCD	
CNC(=O)C1(C(=O)NCc2ccc(N(C)C)cc2C)CC1	115490451	UMIZVZWXINLGHL-UHFFFAOYSA-N	289.379	1.203	10	20	CDCD	
CCOc1cccc(CN(C)Cc2nnc[nH]2)c1O	179793383	HKILNBWUIDRXAT-UHFFFAOYSA-N	262.313	1.541	10	20	CDCD	
CC(C)N(CCC(=O)O)C(=O)c1cccc(O)c1O	126001431	GIBAXMXEVDGFKM-UHFFFAOYSA-N	267.281	1.423	10	20	CDCD	
C[C@@]1(O)CCCN(Cc2ccc(N3CCOCC3)cc2)C1	129474040	KNAJTQXBIGTJQU-QGZVFWFLSA-N	290.407	1.870	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cn(C)cn1	186388611	ZJPGOCABCKWUAS-VIFPVBQESA-N	275.308	1.192	10	20	CDCD	
C[C@H](N)[C@H]1CN(Cc2c(O)cccc2Cl)CCO1	132625900	GMZRGJMKAGHYHO-TVQRCGJNSA-N	270.760	1.594	10	20	CDCD	
COC[C@H](CNCc1ccc2c(c1)CCO2)OC	227705570	LSNOFGLMECVSFL-ZDUSSCGKSA-N	251.326	1.373	10	20	CDCD	
COc1ccc(CN[C@@H]2CCOC[C@@H]2C)c(O)c1	385316831	GPVVXLUGEHPUCD-GXFFZTMASA-N	251.326	1.915	10	20	CDCD	
CC(C)N1CC[C@@H](NC(=O)NCc2ccccc2O)C1=O	265118699	CBVFRHOMJFDFEH-GFCCVEGCSA-N	291.351	1.201	10	20	CDCD	
COc1cccc(CNC(=O)CCCC(=O)N(C)C)c1O	269178706	KJDAXPJVKFBYJY-UHFFFAOYSA-N	294.351	1.276	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2CCO[C@@H](C)C2)c1O	278281529	SXYGLCNQDDJNMU-VIFPVBQESA-N	282.296	1.530	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)N[C@@H]2CC(=O)N(C)C2)c1	273619341	YOENXKOAIKXVNM-MWLCHTKSSA-N	292.335	1.060	10	20	CDCD	
Cc1nc2n(n1)CCN(Cc1cc(F)ccc1O)C2	272270843	LNTVUEHYIJTGFQ-UHFFFAOYSA-N	262.288	1.447	10	20	CDCD	
CCOc1cccc(CNCCN2CCCOCC2)c1O	289379081	CFRCPVIAYDXRMT-UHFFFAOYSA-N	294.395	1.603	10	20	CDCD	
CNC(=O)[C@]1(C)CCN(Cc2ccc(N(C)C)c(F)c2)C1	281249105	WZPQYAXEYIWWTM-MRXNPFEDSA-N	293.386	1.850	10	20	CDCD	
CC(=O)N1CCCC[C@H]1C(=O)NCc1ccc(O)c(O)c1	286745045	LBUMPLICJLRPLT-LBPRGKRZSA-N	292.335	1.115	10	20	CDCD	
CCOc1ccc(N(C)CCN2CCNC2=O)cc1	808729370	ZLESRYDYHCSUTE-UHFFFAOYSA-N	263.341	1.547	10	20	CDCD	
COC(=O)CN(C)Cc1ccc(N(C)C)c(C)c1	293386818	GPGVOQROHJIELM-UHFFFAOYSA-N	250.342	1.666	10	20	CDCD	
CON1CCC(NC(=O)/C=C\c2ccc(O)c(O)c2)CC1	817698368	WDFMUGNHBBJUJH-HYXAFXHYSA-N	292.335	1.253	10	20	CDCD	
C[C@H](Cc1cnccn1)NCc1cc([N+](=O)[O-])ccc1O	725848893	BXDFFCMUZIZMGC-SNVBAGLBSA-N	288.307	1.811	10	20	CDCD	
CCOCCCN1C(=O)CN(Cc2ccccc2O)C1=O	819165672	CEDTYNIPEXUTLX-UHFFFAOYSA-N	292.335	1.583	10	20	CDCD	
C[C@@H](CC(=O)NCCc1ccc(O)c(O)c1)n1cccn1	819398018	OACAFCYPSNIGQI-NSHDSACASA-N	289.335	1.604	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)CC(C)(C)N)c1	828666434	CIZWGYXMPNBSDF-VIFPVBQESA-N	266.341	1.705	10	20	CDCD	
COc1cc(O)c(CN[C@H](C)C2(CO)CC2)cc1OC	826990862	OVKPMDMLFNKZED-SNVBAGLBSA-N	281.352	1.660	10	20	CDCD	
CN(Cc1cc2c(cc1O)OCO2)C1(CO)CC1	827904082	UQZYWAMPBVXGGJ-UHFFFAOYSA-N	251.282	1.078	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2C[C@H](C)[C@@H](C(=O)O)C2)c1O	825946755	OONDASPRIDYGSH-SDBXPKJASA-N	295.310	1.886	10	20	CDCD	
Cc1cc(O)c(CN(C)[C@@H]2CCNC2=O)cc1Cl	824943415	NGBNZVZZWNRGII-LLVKDONJSA-N	268.744	1.674	10	20	CDCD	
CN(Cc1ccc(N2CCOCC2)cc1)C[C@H]1CCCN1	903441461	TURJWRFGNKLYRW-MRXNPFEDSA-N	289.423	1.707	10	20	CDCD	
COc1ccc(O)c(CNC(=O)CCCn2cccn2)c1	734016367	MMEDEPNCODPFLN-UHFFFAOYSA-N	289.335	1.694	10	20	CDCD	
CCOCCNC(=S)NCc1cc(OC)ccc1O	733907170	UPSWRUQWPLNXJB-UHFFFAOYSA-N	284.381	1.401	10	20	CDCD	
COc1ncc(/C=C/C(=O)N(C)c2cccc(C)n2)cn1	492643245	BWXDVQGNEMUBMC-BQYQJAHWSA-N	284.319	1.865	10	20	CDCD	
CC[C@@H](NC(=O)NCc1ccc(N(C)C)cc1C)C(N)=O	838478843	MSISJHVOFJCGEL-CYBMUJFWSA-N	292.383	1.124	10	20	CDCD	
COC(=O)CSCCNC(=O)c1cc(O)cs1	732287741	DYNJQXTWWZNSSP-UHFFFAOYSA-N	275.351	1.090	10	20	CDCD	
C[C@]1(C(=O)OCC(=O)c2ccc(O)c(O)c2)CCCCO1	838436872	JCQDUBNVWREODW-OAHLLOKOSA-N	294.303	1.783	10	20	CDCD	
CC(C)CCN(C)Cc1cc(O)n2ncc(C(=O)O)c2n1	846240704	YWXFBILYHCBMBR-UHFFFAOYSA-N	292.339	1.611	10	20	CDCD	
CN(Cc1ccc(N2CCOCC2)cc1)CC(C)(C)CN	843056707	XFXJHBLWDYMWMQ-UHFFFAOYSA-N	291.439	1.940	10	20	CDCD	
C[C@H]1SCC[C@@H]1NC(=O)c1c(F)ccc(O)c1O	844153757	QKJVSRRBSRGDRQ-SVRRBLITSA-N	271.313	1.861	10	20	CDCD	
O=C(COC1CCOCC1)NCc1cc(Cl)ccc1O	846477902	XFERKCXNOXXACN-UHFFFAOYSA-N	299.754	1.857	10	20	CDCD	
CCC(CC)(CO)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	847695221	BIMHKZKSUHNBQD-NSHDSACASA-N	295.379	1.944	10	20	CDCD	
CC[C@@](COC)(NC(=O)c1cc(O)cs1)C(=O)OC	854903164	VAVHXXYFRIJTPM-LBPRGKRZSA-N	287.337	1.152	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NCCN2CCC2)cc1	752622342	GCHVXVICHLMVKJ-UHFFFAOYSA-N	276.384	1.258	10	20	CDCD	
CCn1nccc1CNC(=O)NCc1cc(C)ccc1O	858626429	CBGGHNHNYKCWRL-UHFFFAOYSA-N	288.351	1.916	10	20	CDCD	
CN(Cc1nccs1)Cc1cc2c(cc1O)OC[C@@H]2O	768466418	QAKJSSDJEIRKFZ-LBPRGKRZSA-N	292.360	1.907	10	20	CDCD	
Cn1ccc(CCNC(=O)c2cc(O)cs2)n1	761176421	IDSAIIQOWLMELY-UHFFFAOYSA-N	251.311	1.160	10	20	CDCD	
O=C1NCCC[C@@H]1C(=O)NCc1cc(Cl)ccc1O	869146767	LMNOQACACUGOCO-JTQLQIEISA-N	282.727	1.188	10	20	CDCD	
COC(=O)[C@@H](C)NCc1cc(F)c(N(C)C)cc1F	862351377	OAECXFXSJRUYSC-MRVPVSSYSA-N	272.295	1.682	10	20	CDCD	
CCC[C@H](O)CC(=O)NCCc1ccc(O)c(O)c1	767778941	PGGKWOKZGNOCFN-NSHDSACASA-N	267.325	1.308	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)CCn2ccnn2)c1	761968194	SSYPCVFYHKGFPF-JTQLQIEISA-N	290.323	1.260	10	20	CDCD	
COCCN1CCC(NCc2ccc(C)cc2O)CC1	876986638	JNYBRRSNQMXHLR-UHFFFAOYSA-N	278.396	1.901	10	20	CDCD	
Cc1ccc(CN2CCN(C(C)(C)CO)CC2)c(O)c1	876746149	UEEPLKRMXQITQR-UHFFFAOYSA-N	278.396	1.589	10	20	CDCD	
COc1cc(O)c(CN2C[C@H](C)N(C)C[C@@H]2C)cc1OC	775985539	MURKAWZMANLBFC-RYUDHWBXSA-N	294.395	1.934	10	20	CDCD	
COCCO[C@@H]1COCC[C@H]1NCc1cc(C)ccc1O	776812585	LIPDTFILXYFFGE-GDBMZVCRSA-N	295.379	1.611	10	20	CDCD	
COc1cccc(O)c1CN1CC[C@@H](n2cncn2)C1	777222836	UMRJVILNJHEUER-LLVKDONJSA-N	274.324	1.439	10	20	CDCD	
Cc1ccc(CN[C@@H](C)CCN2CCN(C)CC2)c(O)c1	877406474	STCFYXBRHUFELW-HNNXBMFYSA-N	291.439	1.816	10	20	CDCD	
CCN(CC)C[C@@H](C)NC(=O)/C=C/c1ccc(O)c(O)c1	779520493	IEXUAJBHOSIPQS-YPUOHESYSA-N	292.379	1.958	10	20	CDCD	
C[C@H](N[C@H](CO)c1cnn(C)c1)c1c(O)cccc1F	886557303	XWQBVCQPTIUQOZ-JOYOIKCWSA-N	279.315	1.649	10	20	CDCD	
CNC(=O)CCCC(=O)N[C@H](C)c1ccc(N(C)C)cc1	781035429	CZIRVWUQDFPJOB-GFCCVEGCSA-N	291.395	1.846	10	20	CDCD	
C[C@@H]1CN(Cc2cccc(Br)c2O)C[C@H]1O	897684353	NERHQUKFCTYCMM-LDYMZIIASA-N	286.169	1.967	10	20	CDCD	
COc1ccc(CNC(=O)NC[C@H]2CCCOC2)c(O)c1	792838629	GARHFPCNUTZVED-LLVKDONJSA-N	294.351	1.627	10	20	CDCD	
CCN(CCOCCO)Cc1cc(C)cc(OC)c1O	894666028	GYKOYZJDVHFSPZ-UHFFFAOYSA-N	283.368	1.540	10	20	CDCD	
CC[C@@H](C(=O)NCCc1ccc(O)c(O)c1)[C@H](C)O	790075165	IHNVFARKWOYRPH-GXSJLCMTSA-N	267.325	1.164	10	20	CDCD	
COc1ccc(O)c(CNCCC(=O)NC(C)(C)C)c1	135779670	KKQLLYZIACCFLP-UHFFFAOYSA-N	280.368	1.795	10	20	CDCD	
CC(=O)N[C@H](CC(C)C)C(=O)Nc1ccc(N)cc1	704380857	DHAJPPASROOZRH-CYBMUJFWSA-N	263.341	1.758	10	20	CDCD	
CCCCS(=O)(=O)NCc1cc(C)ccc1O	1329239079	PELOXJVVAWAEFA-UHFFFAOYSA-N	257.355	1.920	10	20	CDCD	
CCN1CCC[C@@H](NCc2cc(F)ccc2O)C1=O	722350743	GYNQWUKRULXPPM-GFCCVEGCSA-N	266.316	1.632	10	20	CDCD	
CO[C@H](C(=O)NCCc1ccc(O)c(O)c1)C(C)C	771416652	JLBKEDMUJXAPAY-ZDUSSCGKSA-N	267.325	1.428	10	20	CDCD	
Nc1ccc(CN2CCC[C@H](CN3CCOCC3)C2)cc1	1335288827	HSBXHDZNHIUCKU-MRXNPFEDSA-N	289.423	1.813	10	20	CDCD	
C[C@H](O)[C@@H]1CCCN(C(=O)NCc2ccc(N)cc2)C1	1346738731	JXUDAKWTDNKXQF-WCQYABFASA-N	277.368	1.571	10	20	CDCD	
CCCCCS(=O)(=O)CC(=O)NCc1ccc(N)cc1	1342698532	DGLPXHLTRGQXQN-UHFFFAOYSA-N	298.408	1.490	10	20	CDCD	
CCCN(C)S(=O)(=O)NCc1cc(C)ccc1O	1351392598	FVSDSVDIEBFEAR-UHFFFAOYSA-N	272.370	1.377	10	20	CDCD	
C[C@@H]1CN(C(=O)Nc2ccc(N)cc2)C[C@H]1CC(=O)O	1607434218	GDDJQFMIFKANDT-NXEZZACHSA-N	277.324	1.843	10	20	CDCD	
O=C(O)c1ccc(CNCc2c(O)cccc2F)nc1	1608887529	ICTJTJCJBIFGKD-UHFFFAOYSA-N	276.267	1.914	10	20	CDCD	
CC1(C)C[C@]1(C(=O)O)C(=O)NCCc1ccc(O)c(O)c1	1603321751	WULJVNCXLNPOOE-OAHLLOKOSA-N	293.319	1.257	10	20	CDCD	
CCCN(Cc1cnc(N)cn1)c1ccc(CN)cc1	1577527414	WTJVNRLKCQOPRE-UHFFFAOYSA-N	271.368	1.934	10	20	CDCD	
NC[C@@]12CC[C@@H]1CCN2Cc1cc(F)c(F)cc1O	1580253231	JHVVDLYWXSRJTE-YGRLFVJLSA-N	268.307	1.984	10	20	CDCD	
CCc1nc(COc2ccc(N(C)C)c(C(=O)O)c2)no1	1597673160	LUZIECQKEDLTCM-UHFFFAOYSA-N	291.307	1.975	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCNC(=O)C1	160002064	OXNMMEJONYVJRY-CYBMUJFWSA-N	289.379	1.237	10	20	CDCD	
C[C@@H](CCO)NC(=O)NCc1ccc(N2CC=CC2)cc1	155385406	CQKBNDKCARIYFF-ZDUSSCGKSA-N	289.379	1.633	10	20	CDCD	
Nc1ccc(CC(=O)NCCC2CCOCC2)cc1	261583243	HDFDKIJKTPYVMQ-UHFFFAOYSA-N	262.353	1.744	10	20	CDCD	
CN(CCn1cccn1)C(=O)Cc1ccc(N)cc1	168803018	OTWNKURVMMTQOB-UHFFFAOYSA-N	258.325	1.166	10	20	CDCD	
C[C@H](C[S@@](C)=O)N[C@H]1CCc2cccc(O)c21	296409292	KUESNOZDRRGGON-MIHTYCSTSA-N	253.367	1.736	10	20	CDCD	
OCC[C@H](NCc1cc2c(cc1O)OCO2)C(F)(F)F	886371186	GUYROTKYBDDQIB-NSHDSACASA-N	293.241	1.524	10	20	CDCD	
CCC(=O)N1CC[C@H](C(=O)N(C)Cc2ccccc2O)C1	119604202	RWOJFWBJOGCKID-ZDUSSCGKSA-N	290.363	1.609	10	20	CDCD	
CC[C@@H](O)CN[C@H](C)c1ccc(N2CCOCC2)cc1	305756859	BFXJCOBIDQSOJR-CZUORRHYSA-N	278.396	1.945	10	20	CDCD	
COCCOCC(=O)NCc1ccc(N(C)C)cc1C	115281980	QFLCLYPHCFBEOU-UHFFFAOYSA-N	280.368	1.340	10	20	CDCD	
C[C@@H](CCO)CNC(=O)NCc1ccc(N(C)C)c(F)c1	73915890	FCMLULDJVZRDTI-NSHDSACASA-N	297.374	1.709	10	20	CDCD	
CN(CCn1cc([N+](=O)[O-])cn1)c1ccc2c(c1)OCO2	121318915	OLOCUYXVMSVTKT-UHFFFAOYSA-N	290.279	1.656	10	20	CDCD	
CN1CCC[C@@H](N(C)C(=O)/C=C/c2ccc(O)c(O)c2)C1	181122423	JWPWXBSAJBIDKK-STMXVASLSA-N	290.363	1.664	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NC1CCC(CO)CC1	181033406	GSPBHNOXZNDVCU-XBXARRHUSA-N	291.347	1.778	10	20	CDCD	
COc1cccc(CNc2ccnc(C(N)=O)c2)c1O	132078459	FJHUMEFQEVGOLG-UHFFFAOYSA-N	273.292	1.507	10	20	CDCD	
COc1ccc(O)c([C@@H](C)N[C@@H](C(=O)O)C2CC2)c1	86758292	WXRDYZRZRCOZQH-AMIZOPFISA-N	265.309	1.915	10	20	CDCD	
Cc1c(C(=O)NCc2ccc3c(c2)CCCN3C)nnn1C	265907117	SEWPTSXENJWRTC-UHFFFAOYSA-N	299.378	1.436	10	20	CDCD	
CC[C@@H](NCc1cnnn1C)c1ccc(F)cc1O	287485497	XLGGYXQJZDSLGU-GFCCVEGCSA-N	264.304	1.901	10	20	CDCD	
CC(=O)N1CCCC[C@@H]1C(=O)N(C)Cc1ccccc1O	285691915	OGQVZRYFEHTNFW-CQSZACIVSA-N	290.363	1.752	10	20	CDCD	
CO[C@H](C)CS(=O)(=O)Nc1ccc(O)cc1SC	800842569	YZFUBLIUOOQLKT-MRVPVSSYSA-N	291.394	1.891	10	20	CDCD	
CC(=O)N1CCCC[C@@H]1C(=O)NCCc1ccc(N)cc1	818545291	VURXUDILVVWEFS-OAHLLOKOSA-N	289.379	1.329	10	20	CDCD	
CCOc1ccc(O)c(CNCCCC(=O)O)c1	818244807	USQVJCGWYYWQMK-UHFFFAOYSA-N	253.298	1.745	10	20	CDCD	
O=C(N[C@H]1CCN2CCCC[C@@H]12)c1cc(O)cs1	822156404	QIZLPUUDGSRJSN-QWRGUYRKSA-N	266.366	1.810	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@@H]2[C@H]3CCC(=O)[C@H]32)c1	907059570	FEOUFYZGIKNOFT-LEWSCRJBSA-N	275.304	1.242	10	20	CDCD	
CCn1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cn1	732529966	FHFGGTLETXFSBC-JYRVWZFOSA-N	282.303	1.364	10	20	CDCD	
C[C@@H](N[C@@H]1CC[C@H](C(N)=O)C1)c1cc(F)cc(F)c1O	834906874	IOHQWXVERUTYNQ-KHQFGBGNSA-N	284.306	1.975	10	20	CDCD	
COC[C@](C)(CC(=O)O)NCc1ccc(N(C)C)c(F)c1	901792202	AXDRUMRMVHOYBG-HNNXBMFYSA-N	298.358	1.861	10	20	CDCD	
CNC(=O)C1(C(=O)N(C)Cc2ccccc2O)CCC1	730031921	BCHWIURSEOEKJJ-UHFFFAOYSA-N	276.336	1.267	10	20	CDCD	
CCN1CCN(c2ccc(CNC(=O)O)cc2F)CC1	737122152	ITFYICTZJIZPDG-UHFFFAOYSA-N	281.331	1.735	10	20	CDCD	
COC(=O)[C@@H]1C[C@@H](O)CN(Cc2ccc(N(C)C)cc2)C1	830865547	NYVJCDMIACWOTR-UKRRQHHQSA-N	292.379	1.108	10	20	CDCD	
COC(=O)[C@@]1(C)CCCN(C(=O)c2cc(O)cs2)C1	839917998	PVQDLDKRKALMFZ-ZDUSSCGKSA-N	283.349	1.869	10	20	CDCD	
COCCNCCNCc1cc(Cl)cc(F)c1O	841048500	PQEAGGPNWRLMPF-UHFFFAOYSA-N	276.739	1.510	10	20	CDCD	
CC(C)[C@]1(C)C[C@H]1NC(=O)C(=O)Nc1ccc(N)cc1	841141943	SFJVJUCBQUPSLO-DOMZBBRYSA-N	275.352	1.758	10	20	CDCD	
COC[C@H]1CCCN(C(=O)NCCc2ccc(N)cc2)C1	841954507	MXCJUSNFTAKMEN-AWEZNQCLSA-N	291.395	1.879	10	20	CDCD	
C[C@H]1CC[C@@H](C)N1Cc1cc(O)n2ncc(C(=O)O)c2n1	846257589	SJIUPKSSNJYQMT-DTORHVGOSA-N	290.323	1.506	10	20	CDCD	
CN(C)c1ccc(CN[C@@H]2CCc3c(nnn3C)C2)cc1	848566870	LFQGMWZBKVKURL-CYBMUJFWSA-N	285.395	1.528	10	20	CDCD	
COC[C@H](O)CCNCc1ccc(N(C)C)cc1C	840936008	FSLVDBBEAGJENC-OAHLLOKOSA-N	266.385	1.548	10	20	CDCD	
Cc1nc([C@@H](C)OC(=O)c2cc(O)cs2)n[nH]1	840228273	OEWWNRVFMUDLOD-RXMQYKEDSA-N	253.283	1.798	10	20	CDCD	
Nc1ccc(CCNC(=O)NC2CC(F)(F)C2)cc1	841886345	NXJGGGPXJGTFJB-UHFFFAOYSA-N	269.295	1.908	10	20	CDCD	
CN1CCC[C@@H]1CNC(=O)NCCc1ccc(N)cc1	841738828	FMIPRJLEDNWMOX-CQSZACIVSA-N	276.384	1.205	10	20	CDCD	
COc1ccc(CNC(=O)NC[C@H]2CCCCN2)c(O)c1	841923148	YBYZBQJYMZFDCC-GFCCVEGCSA-N	293.367	1.342	10	20	CDCD	
COc1ccc(N(C)CCN(C)C(=O)c2ncc[nH]2)cc1	855020015	DQOFWUREGLABOU-UHFFFAOYSA-N	288.351	1.627	10	20	CDCD	
OC[C@H](CCF)NCc1ccc2c(c1)CCCO2	922221983	MEJFZRNINDLRBP-ZDUSSCGKSA-N	253.317	1.822	10	20	CDCD	
NC(=O)c1ccc(CNCc2ccc3c(c2)CCCO3)cn1	921825639	GEWWDOHLKGKVNP-UHFFFAOYSA-N	297.358	1.795	10	20	CDCD	
COCC1(NC(=O)Cc2ccc(N)cc2)CCOCC1	852924066	MFRCKWIYEMNPHK-UHFFFAOYSA-N	278.352	1.123	10	20	CDCD	
COC(=O)[C@@]1(F)CCN(C(=O)c2cc(O)cs2)C1	752812375	GNBZYBULXBVXHA-LLVKDONJSA-N	273.285	1.181	10	20	CDCD	
COCCCn1cc(C(=O)NCc2ccc(N)cc2)cn1	859593948	LTTVXPHEDMELKP-UHFFFAOYSA-N	288.351	1.432	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)CCc1cnn[nH]1	865904378	MHKJNAOWJJOBLT-UHFFFAOYSA-N	287.367	1.428	10	20	CDCD	
CO[C@H](C)CS(=O)(=O)N[C@H](C)c1ccccc1O	867835072	RUILBVVZUZKECO-NXEZZACHSA-N	273.354	1.408	10	20	CDCD	
CC[C@@H]1CN(Cc2cc3c(cc2O)OC[C@@H]3O)C[C@H](C)O1	768447274	NXTBZXSBJWEKSM-NVBFEUDRSA-N	293.363	1.817	10	20	CDCD	
Cc1ccc(C(=O)OCCC2OCCCO2)c(O)c1O	777077593	YBFNTGRWZCBBET-UHFFFAOYSA-N	282.292	1.716	10	20	CDCD	
COC(=O)[C@@H]1CN(Cc2c(C)cccc2O)C[C@H]1C	877602523	ZBQJOTPOASTCNV-DGCLKSJQSA-N	263.337	1.942	10	20	CDCD	
COc1cccc(O)c1CN1CCC[C@H](CNC(C)=O)C1	771938471	MAORWIQGENVGOH-CYBMUJFWSA-N	292.379	1.749	10	20	CDCD	
CO[C@@]1(C)CCCN(C(=O)NCc2ccc(N)cc2)C1	1120677580	SOISOJUMUONIKO-HNNXBMFYSA-N	277.368	1.979	10	20	CDCD	
CN1CCN(c2ccc(CNC3CC(N)C3)cc2F)CC1	1120283141	OSHKGTMWIFIJCO-UHFFFAOYSA-N	292.402	1.157	10	20	CDCD	
C[C@H]1CN(C)CC[C@H]1N(C)C(=O)NCc1ccc(N)cc1	1120677812	XIPXWTTXWMINEX-SWLSCSKDSA-N	290.411	1.750	10	20	CDCD	
Cc1noc(C)c1CNC(=O)c1c(F)ccc(O)c1O	789963694	RAKDDWLGCMGSCQ-UHFFFAOYSA-N	280.255	1.772	10	20	CDCD	
CN(C)c1ccc(CNc2ccc3nncn3n2)cc1	883998432	QSBRZGJUYDILON-UHFFFAOYSA-N	268.324	1.802	10	20	CDCD	
C[C@H](NCc1nnnn1CC1CC1)c1ccccc1O	784262936	KPENSODACKXSIH-JTQLQIEISA-N	273.340	1.640	10	20	CDCD	
COc1ccc(CNC[C@H](C)OC)c(O)c1OC	893911969	XIGQYZYEABROPE-VIFPVBQESA-N	255.314	1.534	10	20	CDCD	
CCO[C@@H]1C[C@H](NCc2cc(C)cc(OC)c2O)[C@H]1OC	894466528	HGKDFVHUUYGRAW-JGGQBBKZSA-N	295.379	1.991	10	20	CDCD	
CN1CCCC(C)(C)[C@@H]1CNC(=O)c1cccc(O)c1O	791058707	FCEUDFGAAWZMGW-ZDUSSCGKSA-N	292.379	1.948	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)NCCCCN	1325668023	TUQIGDLVAMQZBT-UHFFFAOYSA-N	278.400	1.599	10	20	CDCD	
Nc1ccc(CCNC(=O)N2CC[C@](O)(C3CC3)C2)cc1	1326132128	HTHBKWFYIOGUJN-MRXNPFEDSA-N	289.379	1.368	10	20	CDCD	
CSC[C@@](C)(O)CNCc1cc(F)cc(F)c1O	708465481	IXBWDNATPGKQEE-LBPRGKRZSA-N	277.336	1.874	10	20	CDCD	
C[C@@H](NCc1ccc(N2CCSCC2)cc1)C(=O)O	1336116545	GBGNBFJXYDODBE-LLVKDONJSA-N	280.393	1.803	10	20	CDCD	
CNC(=O)[C@H](C)CN(C)Cc1c(O)cccc1OC	769566774	HRXKWZCONPCYNH-SNVBAGLBSA-N	266.341	1.215	10	20	CDCD	
COc1cc(C)cc(CN[C@H]2C[C@H](C(=O)O)C2)c1O	1599392662	QZXDQXSMOGQGJN-HOMQSWHASA-N	265.309	1.662	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)c2csnn2)c1	153859436	AMOVHAMESIYUQA-ZETCQYMHSA-N	279.321	1.743	10	20	CDCD	
Oc1cccc2c1[C@H](NCCO[C@H]1CCOC1)CC2	927082686	HIVRVQIRHPKLMH-QWHCGFSZSA-N	263.337	1.775	10	20	CDCD	
COC1CC(NCc2ccc3c(c2)CCO3)(C(=O)O)C1	1777164601	KSMRDRCROIWHTK-UHFFFAOYSA-N	277.320	1.343	10	20	CDCD	
CCOC(=O)N1CCN(Cc2cc(F)ccc2O)CC1	179868850	BPTDYZLZMNDGSO-UHFFFAOYSA-N	282.315	1.805	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC[C@@]2(O)CCOC2)c1	186177756	ATWKGEOUAKYOKA-HZMBPMFUSA-N	267.325	1.203	10	20	CDCD	
Cc1ccc(C(=O)NCCc2ccc(N)cc2)n1C	63129880	UIQFUTWGZHPGML-UHFFFAOYSA-N	257.337	1.888	10	20	CDCD	
CON1CCC(NCc2cc(C)ccc2O)CC1	692161593	WGNLDSPJJBICAC-UHFFFAOYSA-N	250.342	1.816	10	20	CDCD	
COc1ccc(N2CCN([C@@H]3CCN(C)C3=O)CC2)cc1	172017471	RPKRZJWENFPZEE-OAHLLOKOSA-N	289.379	1.048	10	20	CDCD	
CN1CCCc2cc(CNC(=O)[C@H]3CCCO3)ccc21	58768819	GGIIMTOBGOIRSQ-OAHLLOKOSA-N	274.364	1.864	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@H]2CCCN2)cc1F	70810697	BEYBGRDFUBUQOP-LBPRGKRZSA-N	265.332	1.260	10	20	CDCD	
CCNC(=O)CCN1CCN(c2ccc(OC)cc2)CC1	46502309	IZRGMOLHOQRCNU-UHFFFAOYSA-N	291.395	1.343	10	20	CDCD	
COC(=O)COc1ccc(N(C)CCCO)cc1	183789943	ZFVMZKQCBLORIJ-UHFFFAOYSA-N	253.298	1.057	10	20	CDCD	
CCS(=O)(=O)N1CCCN(c2ccc(OC)cc2)CC1	48906765	UPUHRWCWFBYYCJ-UHFFFAOYSA-N	298.408	1.557	10	20	CDCD	
CCN1CCN(Cc2cccc(OC)c2O)[C@H](C)C1	289199481	BGEJDIODZMINOR-GFCCVEGCSA-N	264.369	1.927	10	20	CDCD	
CN1CCCc2cc(CNC(=O)c3cn[nH]c3)ccc21	195091136	NBLXKMZLCFEVNG-UHFFFAOYSA-N	270.336	1.722	10	20	CDCD	
CC[C@@H](C(N)=O)N1CCN(c2ccc(OC)c(F)c2)CC1	84866568	FWDRBFMEFAOPMA-ZDUSSCGKSA-N	295.358	1.220	10	20	CDCD	
CON(C)C(=O)NCc1ccc(N2CCCC2)cc1	192370396	DHYMOJBNOGEQEG-UHFFFAOYSA-N	263.341	1.990	10	20	CDCD	
O=C(O)C[C@@H]1CN(Cc2ccccc2O)CCO1	91298805	KWXBLNDNKQITMP-LLVKDONJSA-N	251.282	1.068	10	20	CDCD	
CN(C)c1ccc(CNC[C@H]2CN3CCC[C@H]3CO2)cc1	252667608	MHUDNJVWODOPHY-IRXDYDNUSA-N	289.423	1.705	10	20	CDCD	
CCOc1ccc(O)c(CN[C@H]2CCN(CCOC)C2)c1	264630503	TZYWFVOTJJXCSB-AWEZNQCLSA-N	294.395	1.601	10	20	CDCD	
Oc1ccc(F)cc1CN[C@H]1C[C@H]2CC[C@H]1NC2	530247147	VYOTUIMXTYSCFQ-WQAKAFBOSA-N	250.317	1.761	10	20	CDCD	
Cc1ccc(C(=O)N2CCn3nccc32)c(O)c1O	375957894	OCWZBDSSSNGTHP-UHFFFAOYSA-N	259.265	1.263	10	20	CDCD	
COc1ccc(O)c([C@H](C)NCC2(O)CCN(C)CC2)c1	273585178	NPKJOWHVFUXIFZ-LBPRGKRZSA-N	294.395	1.508	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NCCC2(O)CCOCC2)c1	287330655	FYEMHEWSKGUNKR-GFCCVEGCSA-N	295.379	1.983	10	20	CDCD	
OC1(CCNCc2ccc3c(c2)CCO3)CCOCC1	285580029	TWOVEUNFRUWHRJ-UHFFFAOYSA-N	277.364	1.643	10	20	CDCD	
CC(=O)C(=O)COC(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C	808493075	QLGUKMHWCQLMEO-PWSUYJOCSA-N	252.310	1.926	10	20	CDCD	
COc1ccc(O)c(CN2CCC(F)(F)[C@@H](CO)C2)c1	291375096	ZSLLTRZKZBXIKU-LLVKDONJSA-N	287.306	1.850	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC[C@@H](O)CN(C)C2CC2)c1	809972078	QHFBJHVEBPQARM-WCQYABFASA-N	294.395	1.507	10	20	CDCD	
Cn1cnc2c(C(=O)NCc3ccc(O)c(O)c3)ccnc21	813488831	GPYDAZQOLCOJIX-UHFFFAOYSA-N	298.302	1.310	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2cc(C)[nH]n2)c1	728982423	NDVJSUNWBZIPBJ-SECBINFHSA-N	275.308	1.923	10	20	CDCD	
Oc1ccccc1CNC(=S)NCCc1cccnc1	727702498	TXRLGYJSSLZGHI-UHFFFAOYSA-N	287.388	1.994	10	20	CDCD	
CC[C@H](NCc1ccc(N2CCOCC2)cc1)C(=O)NC	825315829	GVULRHPJPHNDRN-HNNXBMFYSA-N	291.395	1.137	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CC2(O)CCC2)cc1	822226733	FDLMIRDPUUTVEL-UHFFFAOYSA-N	262.353	1.674	10	20	CDCD	
O=CN1CCCN(Cc2cc(Cl)c(F)cc2O)CC1	827867851	REMDPCGIDIGPDG-UHFFFAOYSA-N	286.734	1.849	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CCCO2)c1	728981241	WDWFPWAMKIXOCS-TVQRCGJNSA-N	265.309	1.757	10	20	CDCD	
CN(Cc1cn(-c2ccn(C)n2)nn1)Cc1ccccc1O	906275819	DRPXJEQYJVALKV-UHFFFAOYSA-N	298.350	1.338	10	20	CDCD	
COC(C)(C)CN(C)C(=O)c1c(F)ccc(O)c1O	826896787	GMBSNSCUGBRPFY-UHFFFAOYSA-N	271.288	1.734	10	20	CDCD	
CO[C@]1(CN(C)c2ccc(OCC(=O)O)cc2)CCOC1	902020086	ZGFBISRFAHXVGV-HNNXBMFYSA-N	295.335	1.392	10	20	CDCD	
COc1cc(Cl)cc(CNC[C@]2(C)CCC(=O)N2)c1O	835060434	LRIMVGAAUIAQGI-AWEZNQCLSA-N	298.770	1.813	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N1CCOCC12CCC2	588407299	KRJJFEXDCWFDHX-HYXAFXHYSA-N	289.331	1.893	10	20	CDCD	
Nc1ccc(NC(=O)[C@]23CCC(=O)N2CCS3)cc1	843295245	PKDBGZLXXAFQGP-CYBMUJFWSA-N	277.349	1.273	10	20	CDCD	
COCC[C@H](C)CNC(=O)/C=C/c1ccc(O)c(O)c1	840493824	HZFMRVDZOMTKRI-MALLOTDXSA-N	279.336	1.900	10	20	CDCD	
CCNCC(=O)N[C@@H](C)c1cc(OC)ccc1O	843488998	AHWQVFXYGAPOHD-VIFPVBQESA-N	252.314	1.188	10	20	CDCD	
COc1cccc([C@H](C)N[C@@H](C)c2ncnn2C)c1O	846167217	ULGRVPJKYFYIRM-UWVGGRQHSA-N	276.340	1.941	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2CC[C@@H]([C@H](C)N)C2)c1O	843057111	BEYFKKPAIHRKSQ-VHSXEESVSA-N	295.339	1.478	10	20	CDCD	
COc1ccc(N2CC[C@H](CNC3=NC[C@@H](C)N3)C2)cc1	849043366	ANRCTXHGFJLBPT-CHWSQXEVSA-N	288.395	1.459	10	20	CDCD	
C[C@@H](CO)C1CCN(C(=O)c2c(F)ccc(O)c2O)CC1	846660919	JYFLCJZIUSWDJR-VIFPVBQESA-N	297.326	1.718	10	20	CDCD	
CCc1cccc(CN2CCCN(C(N)=O)CC2)c1O	848885674	QICFRSGOHVCBRV-UHFFFAOYSA-N	277.368	1.541	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)NCC(C)(C)N	841826235	FJYJCVHZXGYRLJ-UHFFFAOYSA-N	278.400	1.598	10	20	CDCD	
C[C@H]1C[C@H](N2C(=O)CN(Cc3ccccc3O)C2=O)CO1	843314950	TWTOXOQYXBRBQL-JQWIXIFHSA-N	290.319	1.334	10	20	CDCD	
O=C(NCc1ccccc1O)NCC1SCCS1	852665393	IKIKLBLGMVWVKY-UHFFFAOYSA-N	284.406	1.998	10	20	CDCD	
C[C@H](NC(=O)N[C@H](C)c1ccc(N(C)C)cc1)C(=O)O	929044389	MJBZLWYSIMIRBL-ZJUUUORDSA-N	279.340	1.586	10	20	CDCD	
CCN1CCN(Cc2cc3c(cc2O)CCCC3)CC1=O	758269994	ZJWNUVIIUUELME-UHFFFAOYSA-N	288.391	1.935	10	20	CDCD	
C[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)C1(CO)CC1	855480403	GEHNAJIWAKQRSY-TZGMSPROSA-N	277.320	1.388	10	20	CDCD	
CCCCN(CCO)Cc1c(O)cccc1OC	768140357	NZLQUTBZWVJRFM-UHFFFAOYSA-N	253.342	1.995	10	20	CDCD	
CC1(NC(=O)NCc2ccc(N3CCCC3)cc2)COC1	875098934	DRQFWDREZVJBSN-UHFFFAOYSA-N	289.379	1.875	10	20	CDCD	
CCC(=O)N[C@H](C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	773024564	LUVZEOXBLMQLGQ-NWDGAFQWSA-N	291.395	1.845	10	20	CDCD	
COc1ccc(N(C)Cc2nnc3c(=O)n(C)ccn23)cc1	878801580	MBTHMZCEXZKYFY-UHFFFAOYSA-N	299.334	1.073	10	20	CDCD	
CCN(C)c1ccc(CN2CCO[C@@H](C(=O)OC)C2)cc1	773750218	XDWIFNXSHIBQBW-OAHLLOKOSA-N	292.379	1.517	10	20	CDCD	
COCCN(CCN(C)C)Cc1ccc(C)cc1O	877525697	LKWHUWCXGQGABS-UHFFFAOYSA-N	266.385	1.711	10	20	CDCD	
CO[C@@H]1COCC[C@H]1CNC(=O)c1cc(O)cs1	1118765305	YTQOWRKSVJGMSM-WCBMZHEXSA-N	271.338	1.235	10	20	CDCD	
CCN(CC)c1ccc(CN[C@H](COC)C(=O)OC)cc1	789574214	BZWHULKFJTXVOM-OAHLLOKOSA-N	294.395	1.810	10	20	CDCD	
COc1ccc(CNC(=O)c2c(C)ccn2C)c(O)c1	794381044	ITKGMERGUGUJRA-UHFFFAOYSA-N	274.320	1.978	10	20	CDCD	
C[C@@H]1CN(Cc2cc(Br)ccc2O)C[C@H]1O	897684436	OYSIBEFBCCBQRY-PRHODGIISA-N	286.169	1.967	10	20	CDCD	
CO[C@]1(C)CCCN(Cc2cc3c(cc2O)OC[C@H]3O)C1	794649463	LHUMMPAFXKWLFS-GDBMZVCRSA-N	293.363	1.819	10	20	CDCD	
COC(=O)N1CCC[C@H](NC(=O)c2cccc(O)c2O)C1	790627407	OQSWFFGOTBNNRZ-VIFPVBQESA-N	294.307	1.058	10	20	CDCD	
O=S(=O)(Nc1ccc(O)cc1F)c1cnc[nH]1	85203904	MRXATXBPEJIUOF-UHFFFAOYSA-N	257.246	1.055	10	20	CDCD	
CCn1ncnc1N(C)CCN(C)c1ccc(OC)cc1	1348225447	ROQODHNHFXGQNJ-UHFFFAOYSA-N	289.383	1.879	10	20	CDCD	
C[C@H](CO)COc1ccc(N(C)C)c(C(=O)O)c1	1604201456	CMQXXEXORJABFY-SECBINFHSA-N	253.298	1.458	10	20	CDCD	
O=C(NCc1cccc(Cl)c1O)N[C@H]1CCCNC1	1580718476	KMANGQTVHYGSFP-JTQLQIEISA-N	283.759	1.597	10	20	CDCD	
C[C@H](NC(=O)CCSCC(=O)O)c1ccccc1O	1599893236	SVYRWIWGNROJRX-VIFPVBQESA-N	283.349	1.777	10	20	CDCD	
COCCOCCCNCc1cc(F)ccc1O	226583422	WSXYODDCPLUUTN-UHFFFAOYSA-N	257.305	1.674	10	20	CDCD	
CNC(=O)C1CCN(Cc2cccc(C)c2O)CC1	124523237	TZSLBEARRHHZHH-UHFFFAOYSA-N	262.353	1.659	10	20	CDCD	
CO[C@H](CNC(=O)c1cccc(O)c1O)C(C)C	279307983	OAIVHORIEYHQSR-LLVKDONJSA-N	253.298	1.499	10	20	CDCD	
C[C@@H](CNC(=O)Cc1ccc(N)cc1)CN1CCCC1	59930900	ZBZUCCCFZDNQKZ-ZDUSSCGKSA-N	275.396	1.659	10	20	CDCD	
O=C(Cn1nnc(-c2ccccc2)n1)c1ccc(O)c(O)c1	58799743	JPEGYHYGWZKGMI-UHFFFAOYSA-N	296.286	1.634	10	20	CDCD	
CC(=O)NCCNC(=O)N(C)Cc1ccc(N(C)C)cc1	53527407	DJKDAWJCOXLXOE-UHFFFAOYSA-N	292.383	1.030	10	20	CDCD	
CCCN(CC(=O)N(C)C)Cc1ccccc1O	112466227	AKZVZANMJAEKCB-UHFFFAOYSA-N	250.342	1.692	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2cn(C)cn2)c1	179077664	PNKHAWOGUJNSGR-SECBINFHSA-N	275.308	1.625	10	20	CDCD	
COc1ccc(O)c(CNC[C@](C)(O)C2CC2)c1	310939184	JDWFDPZKMWBPEJ-AWEZNQCLSA-N	251.326	1.651	10	20	CDCD	
CC(C)(O)C(=O)NCc1ccc(N2CCOCC2)c(F)c1	188222436	YAFOXKOMUBNKFK-UHFFFAOYSA-N	296.342	1.049	10	20	CDCD	
CN(CCOCC1CC1)C(=O)/C=C/c1ccc(O)c(O)c1	181181773	UPWFDWPUAHXMEF-FNORWQNLSA-N	291.347	1.996	10	20	CDCD	
CO[C@@]1(CNCc2ccc3c(c2)CCO3)CCOC1	122934929	PHXFBLOSFKOZDI-OAHLLOKOSA-N	263.337	1.517	10	20	CDCD	
COCCNC(=O)NCc1ccc(N2CCCC2)cc1	47576412	QWYZAMSERRVQDZ-UHFFFAOYSA-N	277.368	1.732	10	20	CDCD	
C[C@@H](NCc1cccc(Br)c1O)C(=O)O	49358613	DXBOPXAIZUHCOO-ZCFIWIBFSA-N	274.114	1.717	10	20	CDCD	
Cc1noc2ncnc(NCCc3ccc(O)c(O)c3)c12	192477725	RSULLJAEEHOHTC-UHFFFAOYSA-N	286.291	1.992	10	20	CDCD	
CO[C@H](C)CCC(=O)NCCc1ccc(N)cc1	228490713	LDLWUKZZGSKYNZ-LLVKDONJSA-N	250.342	1.743	10	20	CDCD	
Cn1cc(-c2c[nH]cc2C(=O)N2CCCc3n[nH]cc32)cn1	447573731	IWCMBSQTIWMYND-UHFFFAOYSA-N	296.334	1.731	10	20	CDCD	
C[C@@H](CNC(=O)c1c(F)ccc(O)c1O)CN1CCCC1	276642405	VBXWWDXSRZOPGE-JTQLQIEISA-N	296.342	1.699	10	20	CDCD	
C[C@H](CCN(C)C)NC(=O)/C=C/c1ccc(O)c(O)c1	272515137	VDDBZMAALLWOET-OKPNEXGHSA-N	278.352	1.567	10	20	CDCD	
Cc1ccc(O)c(CN2CC[S@](=O)C[C@@H](C)C2)c1	277588876	UQUXAIGDQYQMCE-SGTLLEGYSA-N	267.394	1.901	10	20	CDCD	
COC[C@H](O)CN[C@@H](C)c1cc(Cl)ccc1O	273585228	NRPXBRLNWNMIOJ-WCBMZHEXSA-N	259.733	1.704	10	20	CDCD	
C[C@H](NCc1cc([N+](=O)[O-])ccc1O)C(=O)N1CCCC1	281519910	XUXGKHVPITVWBB-JTQLQIEISA-N	293.323	1.401	10	20	CDCD	
COc1cccc(CN2CC(=O)N(C3CC3)C2)c1O	280353043	BYAITIAJHKQYJB-UHFFFAOYSA-N	262.309	1.165	10	20	CDCD	
C[C@@H](CN(C)C)NC(=O)N(C)Cc1ccccc1O	288031413	NRMGRTDXGWKCLJ-NSHDSACASA-N	265.357	1.484	10	20	CDCD	
CC[C@@H](NC[C@@H](O)COC)c1ccc(C)cc1O	280245557	WGKSXEGTNDHLDC-DGCLKSJQSA-N	253.342	1.749	10	20	CDCD	
COc1cc(N2CCC[C@@H](O)CC2)c([N+](=O)[O-])cc1OC	293869259	ATPHPTCLZUHUJB-SNVBAGLBSA-N	296.323	1.963	10	20	CDCD	
CC[C@H](CNC(=O)c1ccc(C)c(O)c1O)OC	291956009	FIQHYEDMUPXQID-SECBINFHSA-N	253.298	1.561	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)NC[C@@H](N)C2CC2)c1	817966013	ZEIGGCUPTBHOTR-NOZJJQNGSA-N	278.352	1.567	10	20	CDCD	
C[C@H](NCCCN1CCNCC1)c1ccc(F)cc1O	817936584	PNDFZVCPLAIEOX-LBPRGKRZSA-N	281.375	1.477	10	20	CDCD	
CC(F)(F)CNC(=O)/C=C\c1ccc(O)c(O)c1	818261579	SHRDYOPAOOGRQS-HYXAFXHYSA-N	257.236	1.882	10	20	CDCD	
CNCCCN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1	817939894	HVEIMQINMCQXOJ-ZDUSSCGKSA-N	295.402	1.922	10	20	CDCD	
C[C@@H](CC(=O)O)C(=O)NCCCSc1nccs1	827293591	YRWVIMGHIHFBER-QMMMGPOBSA-N	288.394	1.852	10	20	CDCD	
COc1ncc(C(=O)NCc2cccc(OC)c2O)cn1	734015182	DSUIBWXVMJAMNW-UHFFFAOYSA-N	289.291	1.129	10	20	CDCD	
CC1=NO[C@H](C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)C1	831924015	BIAXONQEGPHUMB-OQPBUACISA-N	278.308	1.310	10	20	CDCD	
O=C(CNCC1CC1)NCc1c(O)ccc2c1CCCC2	830597958	WUICQWJGQPOPNI-UHFFFAOYSA-N	288.391	1.887	10	20	CDCD	
CCNC(=O)CC(=O)NCc1cc(Cl)ccc1O	846472615	BWTUONJXQGDAEM-UHFFFAOYSA-N	270.716	1.188	10	20	CDCD	
CCc1ccc(CC(=O)NCc2ccc(O)cc2O)nc1	910944137	LKDJWGUCDXACCL-UHFFFAOYSA-N	286.331	1.914	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)c1coc(C2CC2)n1	910948841	BJGXSNPBZQMAMH-UHFFFAOYSA-N	274.276	1.893	10	20	CDCD	
NC[C@H](NC(=O)NCCc1ccc(N)cc1)C1CCCC1	841956078	UMDBRJSBCDPECQ-HNNXBMFYSA-N	290.411	1.628	10	20	CDCD	
CCc1cccc(CN[C@H](C)C(=O)NCCF)c1O	848909078	KAANZEZNCWNEQT-SNVBAGLBSA-N	268.332	1.518	10	20	CDCD	
Cc1ccc(O)c(CNC[C@H]2CC(=O)N(C3CC3)C2)c1	846074578	DHNSBORNDNYDQZ-GFCCVEGCSA-N	274.364	1.801	10	20	CDCD	
CCCN[C@@H](C)C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1	841845972	INBQSUYJPAQUNT-SWLSCSKDSA-N	292.427	1.257	10	20	CDCD	
O=C(CCN1CCOCC1)NCc1cc(Cl)ccc1O	846473719	VYGZHGJCWACJHV-UHFFFAOYSA-N	298.770	1.384	10	20	CDCD	
CCCNCCNCc1ccc(N2CCOCC2)cc1	841047123	WSSBJXVTPRNHEM-UHFFFAOYSA-N	277.412	1.612	10	20	CDCD	
C[C@H]1NCCN(Cc2ccc(N3CCOCC3)cc2)[C@@H]1C	843056924	CHDJOYQACWLBBM-HUUCEWRRSA-N	289.423	1.705	10	20	CDCD	
OC[C@@H](NCc1cc(Cl)ccc1O)[C@@H]1CCCOC1	840964333	ZZTUCCAUKLPKCC-ZWNOBZJWSA-N	285.771	1.923	10	20	CDCD	
Cc1cnc2c(c1)N(C(=O)/C=C/c1cnn(C)c1)CCN2	857994578	IICHRACKQGEBIG-ONEGZZNKSA-N	283.335	1.595	10	20	CDCD	
c1cc2c(cc1CNCc1nnc3n1CCC3)CCCO2	921516866	HPYDHOLLPGJGRH-UHFFFAOYSA-N	284.363	1.839	10	20	CDCD	
O[C@@H](CNCc1ccc2c(c1)CCCO2)COCC1CC1	921630774	CYCCBYNKODHBJQ-INIZCTEOSA-N	291.391	1.889	10	20	CDCD	
CC(C)[C@@](C)(CN)NCc1ccc(N2CCOCC2)cc1	923296432	RUETWORSSDBMBX-QGZVFWFLSA-N	291.439	1.986	10	20	CDCD	
CNC[C@@H](C)NC(=O)N[C@H](C)c1ccc(N(C)C)cc1	851658963	JFIFHBCACMXUGV-VXGBXAGGSA-N	278.400	1.721	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)C1(C(=O)O)CC=CC1	852948202	VHIJVHYJBSWJQG-UHFFFAOYSA-N	275.304	1.772	10	20	CDCD	
C[C@@H](NC(=O)N[C@H]1CCCCNC1=O)c1ccccc1O	864424743	OLFMTSIBQAJEHH-PWSUYJOCSA-N	291.351	1.421	10	20	CDCD	
COC/C=C/C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	867302045	JCAHMVYJLCSUSZ-FSIBCCDJSA-N	265.309	1.348	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cnco1	935949346	YSXCOSHXYGOKLZ-UHFFFAOYSA-N	267.281	1.796	10	20	CDCD	
CCOc1ccc(CN2CCC(CO)CC2)c(O)c1	768240772	FPZDVGWZBFZKBV-UHFFFAOYSA-N	265.353	1.995	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](O)C(C)(C)C	773766972	FLPMEKWYXZOJQH-RNCFNFMXSA-N	281.352	1.552	10	20	CDCD	
COC[C@H](C)CC(=O)N[C@H](C)Cc1ccc(O)c(O)c1	773767810	PWCWNZQQJPZDJR-GHMZBOCLSA-N	281.352	1.818	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NC[C@H]2C[C@H](O)C2)cc1F	875180871	WWBUDSUBVFAYCC-HAQNSBGRSA-N	295.358	1.462	10	20	CDCD	
CCO[C@@H]1C[C@@H](NC(=O)c2cc(O)cs2)[C@@H]1OC	776227246	JSRQVOYVIHZQET-KKZNHRDASA-N	271.338	1.376	10	20	CDCD	
C[C@H](O)[C@@H]1CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1	779485333	JUIDOEFCODLLAC-VAFIWLDWSA-N	291.347	1.730	10	20	CDCD	
C[C@@H](NC(=O)CSCC(N)=O)c1ccc(N(C)C)cc1	773010385	PHJZNMZBHUPYRM-SNVBAGLBSA-N	295.408	1.148	10	20	CDCD	
C[C@H]1OC(=O)N[C@@H]1C(=O)N(C)Cc1ccc(N(C)C)cc1	788627172	PGKZYGSFYOWFCN-MFKMUULPSA-N	291.351	1.208	10	20	CDCD	
Cc1ccc(C(=O)NC2CCC(C)(O)CC2)c(O)c1O	780959156	LGLDVXXXTUXFBG-UHFFFAOYSA-N	279.336	1.830	10	20	CDCD	
CCn1cnnc1CCNCc1cc(F)cc(F)c1O	883009819	VFKWXFDMSOUFET-UHFFFAOYSA-N	282.294	1.614	10	20	CDCD	
Oc1ccc(F)cc1CN1CC[C@@H](C2OCCO2)C1	896384915	BLGLNALTGLNIIW-SNVBAGLBSA-N	267.300	1.726	10	20	CDCD	
CN(C)c1ccc([C@H](CNC(=O)C(F)F)N(C)C)cc1	891258418	SFULVGWNXAQVRC-LBPRGKRZSA-N	285.338	1.737	10	20	CDCD	
COC(=O)[C@@](C)(CO)NCc1ccc2c(c1)CCCO2	894825169	NOUQGGCEWKSESG-OAHLLOKOSA-N	279.336	1.025	10	20	CDCD	
COc1cc(C)cc(CNCCO[C@@H]2CCOC2)c1O	897200065	PRMMLAZOCJXNIL-CYBMUJFWSA-N	281.352	1.604	10	20	CDCD	
Cn1nccc1[C@H]1CN(Cc2ccccc2O)CCO1	897559734	ZCEBZDVGLPDMLW-OAHLLOKOSA-N	273.336	1.699	10	20	CDCD	
COc1cc(C)cc(CNCC2(N(C)C)CC2)c1O	895024672	JVQMNFTZBBUFDN-UHFFFAOYSA-N	264.369	1.893	10	20	CDCD	
COc1cc(C)cc(CNCCC2(CO)CC2)c1O	894915692	WBABGUUHZPWADX-UHFFFAOYSA-N	265.353	1.961	10	20	CDCD	
COc1cccc(CN2CCCN(C(C)=O)CC2)c1O	133281452	POENPRAKYSKBCN-UHFFFAOYSA-N	278.352	1.455	10	20	CDCD	
CCOC(=O)[C@H](C)NCc1cccc(OC)c1O	49368842	NTVPVMXYEBDGET-VIFPVBQESA-N	253.298	1.442	10	20	CDCD	
O=S1(=O)CCCN(Cc2cc(F)cc(F)c2O)CC1	708424147	XWTJSWWAWDVZQB-UHFFFAOYSA-N	291.319	1.291	10	20	CDCD	
Cn1cc(CNCc2cc(F)cc(F)c2O)nn1	708556730	XEQWLHOBAKKZFD-UHFFFAOYSA-N	254.240	1.089	10	20	CDCD	
C[C@@H](N[C@H]1CCCCNC1=O)c1ccc(F)cc1O	62746651	AUHOKNXOYCVGFZ-SKDRFNHKSA-N	266.316	1.851	10	20	CDCD	
Nc1ccc(CNC(=O)N(C[C@H]2CCOC2)C2CC2)cc1	1337026455	ZJOMDVDAKMTIJV-CYBMUJFWSA-N	289.379	1.979	10	20	CDCD	
C[C@]1(NC(=O)NCc2cc(Cl)ccc2O)CCOC1=O	1348568149	OVKOFBXXXAIOPJ-ZDUSSCGKSA-N	298.726	1.550	10	20	CDCD	
Nc1ccc(CNC(=O)N2CCSCC2)cc1	1357792227	UXLLCWMQZJXEIM-UHFFFAOYSA-N	251.355	1.527	10	20	CDCD	
C[C@@H]1SCC[C@H]1NC(=O)NCc1ccc(N)cc1	1353438067	ITBKODODNQPWMQ-JOYOIKCWSA-N	265.382	1.962	10	20	CDCD	
CC(C)CNC(=O)CN[C@@H](C)c1c(O)cccc1F	1353352654	ARWAALNWTHPOBK-JTQLQIEISA-N	268.332	1.954	10	20	CDCD	
O=C(O)CCC(=O)COC(=O)/C=C\c1ccc(O)c(O)c1	1610766172	QRHBPIJIMMLCGC-KXFIGUGUSA-N	294.259	1.088	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)Nc1c[nH]nc1C(=O)O	1594674849	LPGIKADSPXQLOH-DUXPYHPUSA-N	289.247	1.171	10	20	CDCD	
O=S(=O)(NCc1ccccc1O)c1ccccc1	158574793	JCKUEHLJODJDQP-UHFFFAOYSA-N	263.318	1.871	10	20	CDCD	
CC(C)(CNCc1ccc2c(c1)CCCO2)S(C)(=O)=O	921821350	XNZQNAORDBRBFH-UHFFFAOYSA-N	297.420	1.924	10	20	CDCD	
CCNS(=O)(=O)CCN[C@H](C)c1cc(F)ccc1O	230666935	JDFPZTNZJRPTAK-SECBINFHSA-N	290.360	1.121	10	20	CDCD	
CN(Cc1ccccc1O)S(=O)(=O)N1CCCC1	269778316	JWMPPVYMBRIGOR-UHFFFAOYSA-N	270.354	1.165	10	20	CDCD	
CC(=O)c1cc(F)cc(CN(C)CCC(N)=O)c1O	286497620	PJJOOXXERIEFDR-UHFFFAOYSA-N	268.288	1.041	10	20	CDCD	
c1cc2c(cc1CNCCN1CCOCC1)CCCO2	312179467	SQANJNFTQLDLOA-UHFFFAOYSA-N	276.380	1.433	10	20	CDCD	
COc1ccc(N(CC(=O)NC(N)=O)[C@H](C)C2CC2)cc1	109774274	HDCVETAUAKAZIV-SNVBAGLBSA-N	291.351	1.495	10	20	CDCD	
CC[C@H](N)C(=O)N1CCOc2cc(N(C)C)ccc21	178863330	ISWNBIYGFSYDNN-NSHDSACASA-N	263.341	1.215	10	20	CDCD	
Nc1ccc(CNC(=O)N2CC[C@H](CCCO)C2)cc1	1357791103	JCKQAWRDBODHTM-ZDUSSCGKSA-N	277.368	1.573	10	20	CDCD	
COc1cccc(CN2CC[C@@H]([C@H](C)N)C2)c1O	126851760	RVPXCGSBIIYMAA-WDEREUQCSA-N	250.342	1.570	10	20	CDCD	
CN(CCCCS(C)(=O)=O)c1ccc2c(c1)OCO2	121297107	LLXITYDHNNLSPD-UHFFFAOYSA-N	285.365	1.676	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N[C@H]1CCc2[nH]ncc2C1	181083417	KKOWAWKHQOYCHX-QSLRECBCSA-N	299.330	1.508	10	20	CDCD	
CN(C)c1ccc(CNC(=O)Nc2cnn(C)c2)cc1F	120592310	PZBNGGFLGDYHNT-UHFFFAOYSA-N	291.330	1.947	10	20	CDCD	
C[C@H](C[S@@](C)=O)NC(=O)NCc1ccc(N(C)C)cc1	182417485	ZQJJCNSAWUAQJS-BIBXISHDSA-N	297.424	1.319	10	20	CDCD	
C[C@H](NC(=O)C(C)(C)C)C(=O)Nc1ccc(N)cc1	237538015	ZXUMJOHJQREGGX-VIFPVBQESA-N	263.341	1.758	10	20	CDCD	
CCOc1cccc(CNCC(F)(F)CO)c1O	183889466	ARUNAAZAXUWUDA-UHFFFAOYSA-N	261.268	1.508	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)c1c[nH]c(C#N)c1	181209706	CWQKEFRDLRFSQC-UHFFFAOYSA-N	255.277	1.864	10	20	CDCD	
C[C@H]1CN(CCN(C)Cc2ccccc2O)CCO1	191571873	AEFLCYMATBVCSW-ZDUSSCGKSA-N	264.369	1.545	10	20	CDCD	
COC[C@H](NC(=O)NCc1ccccc1O)C1CC1	269720372	GGRZYCFVDABFFS-LBPRGKRZSA-N	264.325	1.616	10	20	CDCD	
COCCn1cc(CN(C)Cc2ccccc2O)cn1	271130791	OKWXRNSMIAITSM-UHFFFAOYSA-N	275.352	1.867	10	20	CDCD	
CC(=O)N1CCC[C@@H](CNCc2cc(F)ccc2O)C1	279907015	WKOOZCJJUYZZBH-LBPRGKRZSA-N	280.343	1.879	10	20	CDCD	
COc1cccc(CNS(=O)(=O)CCCCF)c1O	287674609	DIIZUUHTHIYFDW-UHFFFAOYSA-N	291.344	1.570	10	20	CDCD	
CC(=O)C(=O)CSc1nnc(NCC(C)C)s1	289585712	JAOYBNVNKJSIQY-UHFFFAOYSA-N	273.383	1.856	10	20	CDCD	
C[C@@H]1C[C@@H](NCc2cnnn2C)c2c(O)ccc(F)c21	806659929	KCWYHNSPJGKTOE-LDYMZIIASA-N	276.315	1.998	10	20	CDCD	
COc1cccc(CN2CCn3cncc3C2)c1O	291695964	YLXOHZDGADYYME-UHFFFAOYSA-N	259.309	1.613	10	20	CDCD	
CCOc1cccc(CN2CC[C@@](F)(CO)C2)c1O	802660707	UKJCXVOTRZBIDS-AWEZNQCLSA-N	269.316	1.697	10	20	CDCD	
CN(C)c1ccc(Cn2ccnc2S(C)(=O)=O)cc1	292569715	DWNXBKYOPQAIDE-UHFFFAOYSA-N	279.365	1.401	10	20	CDCD	
Oc1c(CNC[C@]2(O)CCOC2)ccc2ccccc12	816558854	NNHVLYHQOXOECH-MRXNPFEDSA-N	273.332	1.786	10	20	CDCD	
CCOc1ccc(CNC2CCN(OC)CC2)c(O)c1	817419886	ZAYUGMUJQUBTHM-UHFFFAOYSA-N	280.368	1.906	10	20	CDCD	
COc1ccc(CNC(=O)N[C@H](C)[C@@H](C)OC)c(O)c1	811958683	FPWWXOGEVTVTID-NXEZZACHSA-N	282.340	1.623	10	20	CDCD	
CO[C@@H](C)[C@@H](C)N1C(=O)CN(Cc2ccccc2O)C1=O	819168750	CLJOVRWEXQAPQW-MNOVXSKESA-N	292.335	1.580	10	20	CDCD	
COc1ccc(O)c(CN[C@@H](C)C(=O)OC(C)C)c1	825118161	PXXWWJKLJUSFFS-JTQLQIEISA-N	267.325	1.831	10	20	CDCD	
CN(CC(=O)NCc1ccc(O)c(O)c1)CC(C)(C)C	821070886	PRJRKECTFBPCRT-UHFFFAOYSA-N	280.368	1.692	10	20	CDCD	
CC(C)(O)[C@H]1CCCN1C(=O)/C=C\c1ccc(O)c(O)c1	588407313	NHGJQGACPLDQEV-IQCBXXCUSA-N	291.347	1.873	10	20	CDCD	
CC(C)[C@@](C)(O)CNC(=O)/C=C\c1ccc(O)c(O)c1	588406777	NBPGPFCNRJMHFV-PKYBCLHXSA-N	279.336	1.634	10	20	CDCD	
CC[C@@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)[C@@H](C)O	838030464	ZVAKXBIEISDBHT-ZWNOBZJWSA-N	297.374	1.850	10	20	CDCD	
CCn1nc(C)c(COC(=O)c2cccc(O)c2O)n1	837647368	AJGPEFBRGWYAII-UHFFFAOYSA-N	277.280	1.375	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2cncnc2C2CC2)c1	836777903	RKEWFJZNWIOOIE-UHFFFAOYSA-N	299.330	1.998	10	20	CDCD	
COc1cccc([C@@H](C)NC[C@@]2(C)CCC(=O)N2)c1O	846168250	IYMYYQBAPBLUST-MEBBXXQBSA-N	278.352	1.720	10	20	CDCD	
Cc1nc([C@H](C)OC(=O)c2cccc(O)c2O)n[nH]1	840458609	DEXNWPVGGAHLIZ-LURJTMIESA-N	263.253	1.442	10	20	CDCD	
Cc1cc(Br)c(O)c(CN[C@@H](C)CN)c1	841063788	OQJJOILSLBFGFG-QMMMGPOBSA-N	273.174	1.900	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CC[C@]3(CCNC3)C2)c1O	843369345	ZCRBNGXHBXGZGJ-INIZCTEOSA-N	292.354	1.919	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CCCNC1	841829317	ZWOOHECVKWITNW-AWEZNQCLSA-N	290.411	1.612	10	20	CDCD	
C[C@@H](CCO)N(C)C(=O)/C=C/c1ccc(O)c(O)c1	846602192	QEXHXXISCVFRML-RWCYGVJQSA-N	265.309	1.340	10	20	CDCD	
COc1cccc(CNC(=O)C(C)(C)CO)c1O	847590513	ZTPSIPQGQQXSKS-UHFFFAOYSA-N	253.298	1.036	10	20	CDCD	
Oc1c(Cl)cc(Cl)cc1CNC[C@H]1CNCCO1	841099405	OZGCQWGAGYUXCU-SNVBAGLBSA-N	291.178	1.777	10	20	CDCD	
CN1CCCC[C@H](CNC(=O)NCc2ccccc2O)C1	858766595	PIQGRTZGWRVPAC-CYBMUJFWSA-N	291.395	1.923	10	20	CDCD	
C[C@H](N[C@H](C)CC(N)=O)c1cc(Cl)ccc1O	756660212	LARWDZCIAHZMJK-SFYZADRCSA-N	256.733	1.960	10	20	CDCD	
CC[C@@]1(C(=O)NCc2ccc(N(C)C)cc2)CCNC1=O	864573318	JYAUTRFETGXPHN-MRXNPFEDSA-N	289.379	1.285	10	20	CDCD	
C[C@H](NC(=O)[C@H]1CCNC(=O)C1)c1ccc(N(C)C)cc1	773009156	KPBRLXPSHDBMJW-AAEUAGOBSA-N	289.379	1.456	10	20	CDCD	
COCC1(C(=O)N[C@H](C)c2ccccc2O)CCNCC1	870988471	QKLYYAUHSSHQMH-GFCCVEGCSA-N	292.379	1.586	10	20	CDCD	
COC(=O)[C@@H](NC(=O)c1cccc(O)c1O)C(C)(C)C	776656252	SDECYPWSUZKSGR-LLVKDONJSA-N	281.308	1.415	10	20	CDCD	
Nc1ccc(CNC(=O)NC[C@@H]2CSCCS2)cc1	1120525823	VMEWSPRVGXQPMH-GFCCVEGCSA-N	297.449	1.917	10	20	CDCD	
CN(C)c1ccc(OCc2nnc3c(=O)n(C)ccn23)cc1	882988790	HHBTYIVYFIHIFJ-UHFFFAOYSA-N	299.334	1.073	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC1CCC1	788462013	LBCJYKDEJGXNKL-UHFFFAOYSA-N	289.379	1.346	10	20	CDCD	
C[C@@H]1CN(CCN[C@H](C)c2c(O)cccc2F)CCO1	886524830	RWLCZWBVRFKWIU-VXGBXAGGSA-N	282.359	1.903	10	20	CDCD	
COCCOCCCCNC(=O)c1ccc(C)c(O)c1O	780921040	RPAUQDMQOLTDQT-UHFFFAOYSA-N	297.351	1.579	10	20	CDCD	
CCc1nc(CNCc2cc(C)cc(OC)c2O)n[nH]1	894867989	OVDPBHBXJBACHG-UHFFFAOYSA-N	276.340	1.680	10	20	CDCD	
COc1ccc(CN[C@@H](C)Cn2ccnc2)c(O)c1OC	892566821	ODCXCQZMOQTRJJ-NSHDSACASA-N	291.351	1.784	10	20	CDCD	
COCc1cc(N(C)Cc2ccccc2O)ncn1	782149501	AUKDAWBNISURAF-UHFFFAOYSA-N	259.309	1.965	10	20	CDCD	
COc1cc(C)cc(CN[C@@H](C)CN(C)C)c1O	894760876	MHTHIUWIJVFNBI-NSHDSACASA-N	252.358	1.749	10	20	CDCD	
Cc1ccc(C(=O)NCCN2CCC(C)(C)C2)c(O)c1O	890075490	IANRTEJQMFPHRZ-UHFFFAOYSA-N	292.379	1.868	10	20	CDCD	
COc1cccc(O)c1CN1CC[C@@H](c2n[nH]c(C)n2)C1	895008232	UFZVJGFFCVZUNI-LLVKDONJSA-N	288.351	1.817	10	20	CDCD	
CCOCCCC(=O)NCc1ccc(OC)cc1O	794370972	TYCJHJZWSWLRGW-UHFFFAOYSA-N	267.325	1.834	10	20	CDCD	
Cc1ccccc1[C@@H](CO)NC(=O)c1cccc(O)c1O	790915445	APCJYEWBLJQEOV-CYBMUJFWSA-N	287.315	1.870	10	20	CDCD	
C[C@H](NCc1cc(F)ccc1O)c1ncnn1C	276436354	IEANYSDVNGTRDQ-QMMMGPOBSA-N	250.277	1.511	10	20	CDCD	
OC[C@@H]1CCC[C@@H]1NCc1cc(F)cc(F)c1O	708437634	SAGZAGFEGVRMRK-UFBFGSQYSA-N	257.280	1.921	10	20	CDCD	
Cn1ncc(C2CC2)c1CNC(=O)NCc1ccc(N)cc1	1262588141	XPXNFYNWSTZLGA-UHFFFAOYSA-N	299.378	1.879	10	20	CDCD	
COC(=O)N(C)CCCC(=O)NCc1ccc(N)cc1	1342700596	UMPJWCLPVXGTBF-UHFFFAOYSA-N	279.340	1.363	10	20	CDCD	
CN(C)c1ccc([C@H](N)CNC(=O)CCCCCO)cc1	1578424668	QTYQYLFXFQQPEP-OAHLLOKOSA-N	293.411	1.421	10	20	CDCD	
C[C@H](N[C@@H]1CC12CC2)c1cccc(-c2nn[nH]n2)c1O	1589954682	INJPDAVAGZHMTG-GZMMTYOYSA-N	271.324	1.775	10	20	CDCD	
CC[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)O	1593618996	XZYLFVNEQRYHND-DNQSNQRASA-N	265.265	1.090	10	20	CDCD	
COc1cccc(CN[C@H]2CC[C@H](C(=O)O)C2)c1O	1599674271	NDZRWIQDUVAWND-ONGXEEELSA-N	265.309	1.744	10	20	CDCD	
Cc1nnc(NNC(=S)Nc2ccccc2F)nc1O	11045952	JXXAOJHARMJMMU-UHFFFAOYSA-N	294.315	1.338	10	20	CDCD	
CN(C[C@@H](O)CNCc1ccc2c(c1)CCO2)C1CC1	818996263	CYDYSZIWQJVRIH-HNNXBMFYSA-N	276.380	1.166	10	20	CDCD	
C[C@H](CCS(C)(=O)=O)NCc1ccc2c(c1)CCCO2	921847396	IVYHTKOKXVMDDI-GFCCVEGCSA-N	297.420	1.924	10	20	CDCD	
CC(=O)c1cc(F)cc(CN(C)C[C@@H](O)C2CC2)c1O	304770250	BEKWAIQUQLESDJ-CQSZACIVSA-N	281.327	1.937	10	20	CDCD	
COc1ccc(O)c(CN2CCOC[C@H](C)C2)c1	378441539	HNTMHZMSROUPKV-LLVKDONJSA-N	251.326	1.869	10	20	CDCD	
COCC[C@@H](CO)NCc1ccc2c(c1)CCO2	282108683	DRXQNUZHGXOARI-ZDUSSCGKSA-N	251.326	1.109	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CC[C@@H](N)C2)c1O	50242547	DCBPVBDPHQXUJH-LLVKDONJSA-N	252.289	1.267	10	20	CDCD	
COCCCNC(=O)N[C@H](C)c1cc(OC)ccc1O	171409156	LBMCAERBWWVIMB-SNVBAGLBSA-N	282.340	1.798	10	20	CDCD	
COC(=O)[C@H]1[C@H](O)CCCN1Cc1cc(Cl)ccc1O	188783142	YEKGVQVSGXHVRO-CHWSQXEVSA-N	299.754	1.544	10	20	CDCD	
COCCOCCCNCc1cccc(C)c1O	124675223	QAGJBLCQDXGVOK-UHFFFAOYSA-N	253.342	1.843	10	20	CDCD	
COc1cccc(CN[C@@H]2C(=O)NCC[C@@H]2C)c1O	193682042	REFZCPCITHNIOL-CABZTGNLSA-N	264.325	1.015	10	20	CDCD	
C[C@H](NC[C@H](O)CN1CCCC1)c1ccc(N(C)C)cc1	268872106	VKPDAWULDYRDIF-YOEHRIQHSA-N	291.439	1.860	10	20	CDCD	
CCn1cnnc1CN[C@@H](C)c1cc([N+](=O)[O-])ccc1O	273384088	IZYNPYXFPMXOQM-VIFPVBQESA-N	291.311	1.763	10	20	CDCD	
COC[C@@H]1CN(Cc2cc3c(cc2O)OCO3)C[C@H](C)O1	276023862	NQIFIMBRFFGDOC-JQWIXIFHSA-N	295.335	1.357	10	20	CDCD	
Cc1ccc(O)c([C@H](C)NC[C@@H](CO)[C@H]2CCOC2)c1	280893292	PGKXLPRXMPMOJI-IHRRRGAJSA-N	279.380	1.996	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CC(C)(C)O	280230510	HHGVLNCIZIZBGX-VIFPVBQESA-N	267.325	1.306	10	20	CDCD	
COCC[C@@H](CO)NCc1cc(C)c(C)cc1O	282058485	BEKXYMUTWRVWFN-ZDUSSCGKSA-N	253.342	1.496	10	20	CDCD	
CC[C@@H](N[C@@H]1COC[C@H]1O)c1ccc(N(C)C)cc1	296064968	WEYFTFIWBFTENH-RBSFLKMASA-N	264.369	1.553	10	20	CDCD	
CCOC(=O)C[C@@H](OC(=O)c1cc(O)cs1)C(C)=O	805449985	NFMGRGGKCQAOTK-SECBINFHSA-N	286.305	1.521	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCC[C@@H](c2nnc(O)o2)C1	819970488	LTVZDNOBISQMMA-SSDOTTSWSA-N	295.320	1.562	10	20	CDCD	
COc1ccc(N2CC[C@H](CNC(=O)C3(N)CC3)C2)cc1	818613427	OOGTVCYIKLEVTN-GFCCVEGCSA-N	289.379	1.129	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)c2ccn(C)n2)c1	728979521	XNTDFCGEGDRVIZ-VIFPVBQESA-N	275.308	1.625	10	20	CDCD	
COCC(COC)NCc1cc(OC)c(OC)cc1O	824922260	YXUGNQSSFLTPAD-UHFFFAOYSA-N	285.340	1.160	10	20	CDCD	
Cc1ccn(CC(=O)NCc2ccc3c(c2)CCCN3C)n1	822868298	XLCDLIQMXKRZNT-UHFFFAOYSA-N	298.390	1.890	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CCn3cncc3C2)c1O	821272832	ZCLQOIDBNBYSSR-UHFFFAOYSA-N	289.310	1.946	10	20	CDCD	
CCCC(=O)NC1CCN(C(=O)c2cc(O)cs2)CC1	732269569	FMAXQBSGWFJZBX-UHFFFAOYSA-N	296.392	1.975	10	20	CDCD	
CNC(=O)C[C@H](C)N[C@H](C)c1cc([N+](=O)[O-])ccc1O	834901695	YCZCGKVJYOOELX-DTWKUNHWSA-N	281.312	1.476	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@@H](C)c2cnccn2)c1	907059825	HVTZVGKRSYQNFB-JTQLQIEISA-N	287.319	1.611	10	20	CDCD	
COc1ccc(CNC(=O)[C@@H]2CC2(F)F)c(O)c1	831032327	CCGYPDNEIOCKAA-VIFPVBQESA-N	257.236	1.672	10	20	CDCD	
Cc1cnc(/C=C2\SC(N3CCOCC3)=NC2=O)s1	834412756	QLLYDASLTRSONX-TWGQIWQCSA-N	295.389	1.754	10	20	CDCD	
COc1cc(O)c(CN(C[C@@H](C)O)C2CC2)cc1OC	848928453	DPCBRHGKQAIGIH-SNVBAGLBSA-N	281.352	1.755	10	20	CDCD	
C[C@@H](NC(=O)N1CC[C@@H](CN)C1)c1ccc(N(C)C)cc1	841882308	INLBQLGLUMQJJR-OLZOCXBDSA-N	290.411	1.804	10	20	CDCD	
COc1ccc(O)c(CN[C@H]2CCc3c(nnn3C)C2)c1	848926284	NZWZOKYJGOBGSX-NSHDSACASA-N	288.351	1.176	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H]2CC[C@@H](CN)C2)c1O	841084970	RCKMOYHQUSGVMN-MWLCHTKSSA-N	295.339	1.526	10	20	CDCD	
COc1cc(CN(C)CCNC(C)=O)c(O)cc1C	842635258	LRYDCZWFZUEQCG-UHFFFAOYSA-N	266.341	1.277	10	20	CDCD	
C[C@@H](NC1CC1)C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1	841845938	ICNRNCIAECBHRM-IAQYHMDHSA-N	290.411	1.009	10	20	CDCD	
COc1cccc([C@@H](C)NCCN2CCCC2=O)c1O	846204695	ASTVQORKDPUDLY-LLVKDONJSA-N	278.352	1.674	10	20	CDCD	
O=C(NCc1ccccc1O)C(=O)Nc1ccc(F)cc1	748486336	PJIBDXMFGJTCAL-UHFFFAOYSA-N	288.278	1.786	10	20	CDCD	
C[C@@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)[C@H](C)CN1	841653920	KTBKPURTTPCXBV-CHWSQXEVSA-N	290.411	1.644	10	20	CDCD	
CNC(=O)C1(C(=O)NCc2cc(Cl)ccc2O)CC1	846473113	OWSOPFZVJLIIMU-UHFFFAOYSA-N	282.727	1.188	10	20	CDCD	
C[C@@H]1SCC[C@H]1NC(=O)C(=O)Nc1ccc(N)cc1	843053561	CHDNCHNOYPHYBZ-GZMMTYOYSA-N	279.365	1.218	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CC[C@H]2C(N)=O)c1	847591374	UUFJPZPVCMYYDP-JMJZKYOTSA-N	292.335	1.090	10	20	CDCD	
CCc1noc(NC(=O)NCCc2ccc(N)cc2)n1	841250828	IQHNJMDLAVNYAC-UHFFFAOYSA-N	275.312	1.578	10	20	CDCD	
C[C@@H](NS(=O)(=O)c1cn(C)cn1)c1ccccc1O	867834282	LKCHBQSHLZAMLN-SECBINFHSA-N	281.337	1.165	10	20	CDCD	
COC(=O)C[C@@H](C)C(=O)NCc1cc(Cl)ccc1O	846477886	WPKZYLMGWQDXNU-MRVPVSSYSA-N	285.727	1.861	10	20	CDCD	
CCN1C(=O)C(C)(C)N[C@H]1c1cc(F)ccc1O	840833768	PPQMFFREHTWNHD-LLVKDONJSA-N	252.289	1.760	10	20	CDCD	
CCN(CC)c1ccc(CN(C)C(=O)C2(N)CC2)cc1	844166630	GFKSSDCWGXYFOH-UHFFFAOYSA-N	275.396	1.983	10	20	CDCD	
CCC[C@@H](O)[C@@H](CO)NCc1ccc2c(c1)CCO2	842226941	QTEBDWVJZMMORQ-ZIAGYGMSSA-N	265.353	1.233	10	20	CDCD	
OC1CCN(c2ccc(CNCc3cc[nH]n3)cc2)CC1	850406254	YPGHECGABVMZSN-UHFFFAOYSA-N	286.379	1.661	10	20	CDCD	
CC(=O)N1CC[C@@H](N[C@H](C)c2ccc(F)cc2O)C1	857084455	QLNKFPOKJKHOAQ-BXKDBHETSA-N	266.316	1.803	10	20	CDCD	
COc1ccc(CC(=O)NCc2cc(C)ccc2O)nc1	862755973	OKIWNFXMSXNWDR-UHFFFAOYSA-N	286.331	1.963	10	20	CDCD	
CCn1nc(C)c(C(=O)NCc2cc(C)ccc2O)n1	862754653	IEGXHHYSNYEAGX-UHFFFAOYSA-N	274.324	1.550	10	20	CDCD	
CCn1ccc(C(=O)NCc2cc(C)ccc2O)n1	862755394	RZNRWPLLQDLFKA-UHFFFAOYSA-N	259.309	1.847	10	20	CDCD	
C[C@@H](NC[C@@]1(O)CCN(C)C1)c1cc([N+](=O)[O-])ccc1O	762788752	QLRDZGWSYLPOIA-YGRLFVJLSA-N	295.339	1.018	10	20	CDCD	
CCOc1cccc(CN2CCO[C@H](C(=O)OC)C2)c1O	769333141	QOVZPHHTPRCWOG-ZDUSSCGKSA-N	295.335	1.165	10	20	CDCD	
C[C@@H](c1ccc(N(C)C)cc1)N1C(=O)N[C@H](C)C1=O	761576795	NSSZONOTXDCBHT-ZJUUUORDSA-N	261.325	1.754	10	20	CDCD	
COc1ccc(O)c(CNC(=O)C(C)(C)OC(C)=O)c1	779813873	VHMQJRYFHBIMLC-UHFFFAOYSA-N	281.308	1.359	10	20	CDCD	
NC(=O)c1cc(NC(=O)/C=C/c2ccc(O)c(O)c2)c[nH]1	779530752	ZJGCXQUANMAZMU-DUXPYHPUSA-N	287.275	1.177	10	20	CDCD	
Cc1ccc(C(=O)N2CCN(C(C)(C)C)CC2)c(O)c1O	1116517693	XFSPRYLATRGDEM-UHFFFAOYSA-N	292.379	1.963	10	20	CDCD	
CCN(C)c1ccc(CN2CCO[C@@H](COC)C2)cc1	773756717	YJXDUZUKGHKPCV-MRXNPFEDSA-N	278.396	1.990	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)c1ccc2n[nH]cc2c1	778923387	PSLMTZWFGBYOHS-UHFFFAOYSA-N	283.287	1.904	10	20	CDCD	
COc1cccc(CNS(=O)(=O)C2CCC2)c1O	881917185	FTFYUCXOOBQNEJ-UHFFFAOYSA-N	271.338	1.373	10	20	CDCD	
CN1CCN(c2ccc(CN[C@]3(C)CCOC3)cc2)CC1	771860333	XIIUXXSRJLLWST-QGZVFWFLSA-N	289.423	1.707	10	20	CDCD	
C[C@H](O)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	786826244	DYGAHHLXKUUUKM-NEPJUHHUSA-N	278.352	1.081	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCC[C@H]1C1OCCO1	888441476	IXKZFVPVLFAWLU-VIFPVBQESA-N	269.322	1.431	10	20	CDCD	
C[C@@H](N[C@H]1CC(=O)N(C2CC2)C1)c1c(O)cccc1F	886550349	XWBQBDLFWPXUQB-ZJUUUORDSA-N	278.327	1.945	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](N)CC2CC2)c1	884309988	LMSSOIXJSWMNHM-RNCFNFMXSA-N	278.352	1.705	10	20	CDCD	
Oc1cc2c(cc1CNCCO[C@H]1CCCCO1)OCO2	894798779	IDTQDNNINKLSCJ-HNNXBMFYSA-N	295.335	1.754	10	20	CDCD	
COc1cc(C)cc(CN2CCNC(=O)C[C@H]2C)c1O	894783253	RSGVNCYXVKAMGR-LLVKDONJSA-N	278.352	1.420	10	20	CDCD	
COc1cc(C)cc(CN(C)[C@H](C)CCO)c1O	895149510	JKRGMOPMLGUBFY-LLVKDONJSA-N	253.342	1.912	10	20	CDCD	
COc1ccc(CN2C[C@H](C)[C@@H](O)C2)c(O)c1OC	897676708	WKHDICZDABVODS-ONGXEEELSA-N	267.325	1.222	10	20	CDCD	
COc1ccc(CNC(=O)CCCC(=O)N(C)C)c(O)c1	794373083	GGBXTSGTIFQGIE-UHFFFAOYSA-N	294.351	1.276	10	20	CDCD	
CCOC(=O)CN[C@@H](C)c1ccc(N(C)C)cc1	37563875	QQXDGUFKYWQJCH-NSHDSACASA-N	250.342	1.966	10	20	CDCD	
C[C@@H](NCCS(C)(=O)=O)c1ccc(N(C)C)cc1	37740853	IXDPEYQQOXMKQB-LLVKDONJSA-N	270.398	1.448	10	20	CDCD	
CO[C@@H](C)CNCc1ccc(N2CCOCC2)cc1	191203146	ZBUBJNRKIKNAAO-ZDUSSCGKSA-N	264.369	1.648	10	20	CDCD	
CCn1[nH]cnc1=NCc1ccc(N2CCOCC2)cc1	1337708296	ZYDUJRAOZWLIJQ-UHFFFAOYSA-N	287.367	1.169	10	20	CDCD	
CCN1CCN(Cc2c(O)cccc2OC)CC1	768137560	IPKYCANIQGHMMR-UHFFFAOYSA-N	250.342	1.538	10	20	CDCD	
COc1cccc(O)c1CN(C)[C@H]1CCS(=O)(=O)C1	768138538	OCRNHQYEEUMDQI-JTQLQIEISA-N	285.365	1.020	10	20	CDCD	
O=C1OC[C@H]2CN(Cc3c(O)cccc3Cl)CCN12	769484456	WQSOBRKNIVSFHW-SECBINFHSA-N	282.727	1.682	10	20	CDCD	
C[C@@H]1NCCN(C(=O)NCc2ccc(N)cc2)[C@@H]1C	1337070859	YHOWLGVGKILBPY-WDEREUQCSA-N	262.357	1.161	10	20	CDCD	
CSCC[C@@H](NCc1cc(F)cc(F)c1O)C(=O)O	1331979518	CLRJTBGTMRBLKR-SNVBAGLBSA-N	291.319	1.966	10	20	CDCD	
Cc1ccc(C(=O)NCc2nc(C(=O)O)co2)c(O)c1O	1600341708	WXRXAFHZNHIJFO-UHFFFAOYSA-N	292.247	1.022	10	20	CDCD	
CC[C@@](C)(CC(=O)O)NC(=O)c1cc(O)cs1	1604901652	NYOGLHDYWHITQN-NSHDSACASA-N	257.311	1.827	10	20	CDCD	
O=C(O)[C@@H]1C[C@H](O)CN(Cc2cc(Cl)ccc2O)C1	1601770481	XDSQBUVOSSYXNU-KOLCDFICSA-N	285.727	1.313	10	20	CDCD	
COc1cc(N2CC3(CCNC3)C2)c([N+](=O)[O-])cc1OC	1579160394	PBTPKBIWMWKKOI-UHFFFAOYSA-N	293.323	1.412	10	20	CDCD	
C[C@H](C(=O)NCc1ccc(N)cc1)N(C)CC(F)(F)F	1575069087	JCPGSZIXNWXAFI-SECBINFHSA-N	289.301	1.768	10	20	CDCD	
CC(C)(CCNC(=O)c1cc(O)cs1)C(=O)O	1588775492	OPSSDJLOEBYQFJ-UHFFFAOYSA-N	257.311	1.684	10	20	CDCD	
CC[C@@](C)(NC(=O)c1ccc(C)c(O)c1O)C(=O)O	1594847014	ZJDAWCJMYKPTIR-CYBMUJFWSA-N	267.281	1.389	10	20	CDCD	
C[C@H](NC[C@H]1CCCN1C)c1cc(C(=O)O)ccc1O	1593286440	SVHNHXBYNFAEAL-CMPLNLGQSA-N	278.352	1.835	10	20	CDCD	
COc1ccc(O)c([C@@H](C)N[C@H]2C[C@@H](C(=O)O)C2)c1	1594106508	XCFYOTXATUEVJX-BBBLOLIVSA-N	265.309	1.915	10	20	CDCD	
O=S1(=O)CCC[C@H]1CNCc1ccc2c(c1)CCCO2	921862775	NQUPKMNLBZSGPQ-AWEZNQCLSA-N	295.404	1.678	10	20	CDCD	
C[C@H](NC[C@H]1CCCNC1=O)c1cc(F)ccc1O	840826349	UMUFMVKPVPWGIM-VHSXEESVSA-N	266.316	1.708	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)COC1CCNCC1	111796501	YPGCNRPWUZZLRR-UHFFFAOYSA-N	278.352	1.119	10	20	CDCD	
CCOc1cccc(CN[C@@H]2CCCCNC2=O)c1O	36977243	DSPZUPKNSRWCRE-GFCCVEGCSA-N	278.352	1.549	10	20	CDCD	
CC(C)OCCCN(C)C(=O)c1cccc(O)c1O	279048574	AXQYLYXHCFMUPW-UHFFFAOYSA-N	267.325	1.985	10	20	CDCD	
COc1ccc(N2CCN(C(=O)CSC)CC2)cc1	70718884	FACBQLCTZKCLHE-UHFFFAOYSA-N	280.393	1.707	10	20	CDCD	
Oc1cccc2c1[C@H](NCCCN1CCOCC1)CC2	383246918	CXZQPIPEHRDWFC-CQSZACIVSA-N	276.380	1.691	10	20	CDCD	
Cc1cc(Br)cc(CN2CCNC(=O)C2)c1O	179561647	WKUGQGGFSQXXES-UHFFFAOYSA-N	299.168	1.395	10	20	CDCD	
COC(=O)C[C@@H]1CCCN1Cc1cccc(OC)c1O	179893950	INYSQKPPCPQALE-LBPRGKRZSA-N	279.336	1.928	10	20	CDCD	
C[C@@H](CC(N)=O)NCc1cc(Br)ccc1O	127460214	AABIRAODTISZCG-ZETCQYMHSA-N	287.157	1.508	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N(CCO)C2CC2)cc1	73854908	ZGGSDFHCNJRLRF-UHFFFAOYSA-N	277.368	1.419	10	20	CDCD	
COc1cc(Cl)cc(CN2CCC[C@H](C(N)=O)C2)c1O	184670118	MNVPICDTYNBXBC-VIFPVBQESA-N	298.770	1.752	10	20	CDCD	
CCC[C@@](C)(O)C(=O)NCc1ccc(O)c(O)c1	182537887	SNFIWLYGKWIBIL-CYBMUJFWSA-N	253.298	1.265	10	20	CDCD	
COC[C@H](NC(=O)N(C)Cc1ccccc1O)C1CC1	120007213	ORFHDGPBBULMGV-ZDUSSCGKSA-N	278.352	1.959	10	20	CDCD	
COc1ccc(O)c(CN2C[C@@H](C)[C@H](CO)C2)c1	191727402	BUZHIBKXPOALQJ-PWSUYJOCSA-N	251.326	1.461	10	20	CDCD	
Oc1ccc(Cl)cc1CN1CCC2(C1)OCCO2	93013210	KRLZDPPXPDRWGQ-UHFFFAOYSA-N	269.728	1.994	10	20	CDCD	
O=S(=O)(C[C@@H]1CCCCO1)Nc1ccc(O)cc1	182407147	ZZNQYVMGGBNDDY-LBPRGKRZSA-N	271.338	1.703	10	20	CDCD	
CCOCCO[C@H](C)C(=O)NCCc1ccc(O)c(O)c1	269194098	KTWTXMCWLIZHAU-LLVKDONJSA-N	297.351	1.198	10	20	CDCD	
C[C@]1(N)CCCC[C@@H]1C(=O)NCCc1ccc(N)cc1	263196337	IKTHLFWXDNJFDT-ZBFHGGJFSA-N	275.396	1.835	10	20	CDCD	
CN[C@@H]1CCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)C1	269106281	BULPXHGWHMVTQE-CQSZACIVSA-N	298.390	1.923	10	20	CDCD	
CCOC(=O)C(C)(C)C(=O)NCc1cccc(OC)c1O	270635941	JVINQMNXIFKPTN-UHFFFAOYSA-N	295.335	1.606	10	20	CDCD	
CCC(O)(CC)CCNC(=O)c1cccc(O)c1O	276483015	QXUWAHGNUUXVFQ-UHFFFAOYSA-N	267.325	1.769	10	20	CDCD	
COc1cccc(CNC(=O)[C@H]2CCO[C@H](C)C2)c1O	271858947	LDGQSKUCTPUWBG-MNOVXSKESA-N	279.336	1.832	10	20	CDCD	
COc1cc(O)c(CNC[C@]2(O)CCO[C@@H]2C)cc1OC	279426878	NUQHWTBVRMFIIR-MEBBXXQBSA-N	297.351	1.039	10	20	CDCD	
O=C(NCc1cnc2n1CCCC2)c1cccc(O)c1O	377142879	VNBDOQOJQSGFSF-UHFFFAOYSA-N	287.319	1.561	10	20	CDCD	
C[S@](=O)C1(CNCc2cc([N+](=O)[O-])ccc2O)CCC1	280556545	FKDGRXRLIRYLQT-FQEVSTJZSA-N	298.364	1.691	10	20	CDCD	
CCN(CCN1C(=O)CNC1=O)c1ccc(OC)cc1	299402302	WBPHHLBCMVHQIO-UHFFFAOYSA-N	277.324	1.073	10	20	CDCD	
CS[C@H]1CCN(C(=O)c2c(F)ccc(O)c2O)C1	295574001	PKFXSSZVYMCVAV-ZETCQYMHSA-N	271.313	1.814	10	20	CDCD	
O=C(Cc1ncc[nH]1)NCc1c(O)ccc2c1CCCC2	816938511	CKQAOVIHMZESKC-UHFFFAOYSA-N	285.347	1.853	10	20	CDCD	
COc1ccc(N2CC[C@H](CNC(=O)[C@@H](C)CN)C2)cc1	818613592	UMADWTCFPOJPLW-QWHCGFSZSA-N	291.395	1.233	10	20	CDCD	
CCOc1ccc(CN(C)[C@H](CC)CO)c(O)c1	824533549	HNPDPNJJRMPLKO-GFCCVEGCSA-N	253.342	1.994	10	20	CDCD	
CO[C@@H]1CCOC[C@H]1N[C@@H](C)c1c(O)cccc1F	903296276	DHIWHGMAHMMGDL-UFGOTCBOSA-N	269.316	1.986	10	20	CDCD	
NOCCCNCc1ccc(N2CCOCC2)c(F)c1	904457644	RSKNYHNQVCZFPA-UHFFFAOYSA-N	283.347	1.032	10	20	CDCD	
CO[C@@H]1COC[C@@H]1NCc1ccc(N2CCOCC2)cc1	839192033	GMDPKPHFIPNCCJ-JKSUJKDBSA-N	292.379	1.027	10	20	CDCD	
Cc1cc(O)c(CNC[C@@H]2CCCNC2=O)cc1C	839195345	HFBQRFCCGWWBEI-LBPRGKRZSA-N	262.353	1.625	10	20	CDCD	
CCOC(=O)[C@H](C)N(C)C(=O)c1cc(O)cs1	839793831	XIJRELDHYRRTCO-ZETCQYMHSA-N	257.311	1.477	10	20	CDCD	
C[C@@H](NC[C@@]1(C)CCC(=O)N1)c1ccc(F)cc1O	834907851	DOASTSVPMCLJAN-YMTOWFKASA-N	266.316	1.851	10	20	CDCD	
COc1cc(Cl)cc(CNC[C@H](N)C2CC2)c1O	841048613	FROAALFGLQZRCV-NSHDSACASA-N	270.760	1.881	10	20	CDCD	
C[C@H](N[C@@H]1COC[C@H]1O)c1ccc(Cl)cc1O	841757704	PNFUXXMTUGXDER-HNBZJPLGSA-N	257.717	1.456	10	20	CDCD	
C[C@H](Cn1cccn1)NC[C@H](N)c1ccc(N(C)C)cc1	841045177	JAVQCRHSFDYDCT-CJNGLKHVSA-N	287.411	1.627	10	20	CDCD	
C[C@@H](O)[C@H](O)CN(Cc1ccc(N(C)C)cc1)C1CC1	929294520	DYUZOSXZCFFSOM-MLGOLLRUSA-N	278.396	1.459	10	20	CDCD	
COC(=O)NC1CCN(C(=O)c2cccc(O)c2O)CC1	856449221	HKZNNNAIGPWOAV-UHFFFAOYSA-N	294.307	1.058	10	20	CDCD	
CN(C)c1cc(F)c(CNC[C@@]2(C)CCC(=O)N2)cc1F	858175805	WMXGTOKGLRSSOG-OAHLLOKOSA-N	297.349	1.789	10	20	CDCD	
CCOC(=O)C1=NN(c2cccc(C)c2)C(=O)[C@H]1C	871941119	VEXLWZYFHJSWKR-JTQLQIEISA-N	260.293	1.897	10	20	CDCD	
COc1ccc(CNCc2nnnn2CC2CC2)cc1C	769937653	YNCDTAYQACMZAT-UHFFFAOYSA-N	287.367	1.690	10	20	CDCD	
CO[C@@]1(CNC(=O)/C=C\c2ccc(O)c(O)c2)CCOC1	764452214	DLLUPMRRCRASIC-UYWPIULCSA-N	293.319	1.033	10	20	CDCD	
Cc1ccc(CNCCNC(=O)C(C)(C)C)c(O)c1	877023545	VRVLZUYLEGCLFQ-UHFFFAOYSA-N	264.369	1.953	10	20	CDCD	
Cc1ccc([C@@H](C)N[C@@H]2COC[C@@H]2O)c(O)c1C	866421278	YLHCOORHYWQGLP-RTXFEEFZSA-N	251.326	1.419	10	20	CDCD	
C[C@@H](NCCc1ccnn1C)c1cc([N+](=O)[O-])ccc1O	762783318	WOFGSOUHXGNMTK-SNVBAGLBSA-N	290.323	1.927	10	20	CDCD	
CN1CCN(Cc2ccc(N3CCCC3)cc2)[C@H](CO)C1	1119246910	LCRJHCLJEWMVHE-KRWDZBQOSA-N	289.423	1.395	10	20	CDCD	
CCN(C)c1ccc(CN(CCO)CCOC)cc1	773750289	XONQCILOLUPHAN-UHFFFAOYSA-N	266.385	1.583	10	20	CDCD	
O=C(O)[C@H]1C[C@@H](NCc2c(O)cccc2Cl)C1	874046570	DTCCWKAGIJADFK-OCAPTIKFSA-N	255.701	1.998	10	20	CDCD	
O=C(NCc1nc(C(F)(F)F)n[nH]1)c1cc(O)cs1	776270426	RVAMXUWNZXSMNL-UHFFFAOYSA-N	292.242	1.521	10	20	CDCD	
CCOCCOCCNC(=O)c1cc(O)cs1	885754799	QVJPRWBDLWOLQQ-UHFFFAOYSA-N	259.327	1.237	10	20	CDCD	
C[C@H](NC[C@@H]1CNC(=O)C1)c1c(O)cccc1F	886625214	LBSXPUWAEKVQMU-DTWKUNHWSA-N	252.289	1.318	10	20	CDCD	
C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1ncnn1C	789864864	NAXRSTMLYCUIHJ-DNQSNQRASA-N	288.307	1.117	10	20	CDCD	
CCOc1ccc(CN2CC(N3CCCC3=O)C2)c(O)c1	897786765	YOTZJHXVUAQJIM-UHFFFAOYSA-N	290.363	1.598	10	20	CDCD	
COc1ccc(CNC(=O)NC2CCC2)c(O)c1	792921142	JNRPHDPQVGRZIX-UHFFFAOYSA-N	250.298	1.753	10	20	CDCD	
CNC(=O)[C@H]1CCCCN1Cc1cc(OC)ccc1O	133048128	IAQZEDRDNSQRQM-CYBMUJFWSA-N	278.352	1.501	10	20	CDCD	
COc1cc(Cl)cc(CNCCN2CCNC2=O)c1O	895813308	CCSYAGPEQZFJLQ-UHFFFAOYSA-N	299.758	1.169	10	20	CDCD	
CN1C[C@@H](CN(C)c2ccc3c(c2)OCO3)OC1=O	1324488510	MIYNMWPJFSPXMQ-SNVBAGLBSA-N	264.281	1.302	10	20	CDCD	
CCN[C@H](C)C(=O)N(C)Cc1ccc(N(C)C)cc1	707937112	GMDGMFVBQLTZLY-GFCCVEGCSA-N	263.385	1.709	10	20	CDCD	
Cc1ccc(O)c(CNCCCN(C)S(C)(=O)=O)c1	692405329	BNDLXGUJKJTFEI-UHFFFAOYSA-N	286.397	1.072	10	20	CDCD	
C[C@H](NC[C@@H](O)[C@@H](C)O)c1ccc(N(C)C)cc1	717288012	MZTRAMCFOAAAKX-MISXGVKJSA-N	252.358	1.145	10	20	CDCD	
CO[C@@H]1CC[C@H](NC(=O)NCc2ccc(N)cc2)C1	1262581109	ITNCMOYJXXXHMR-QWHCGFSZSA-N	263.341	1.636	10	20	CDCD	
C[C@@H](CN1CCCC1=O)NC(=O)NCc1ccc(N)cc1	1346236855	LFEYIGSLZSSGOZ-NSHDSACASA-N	290.367	1.079	10	20	CDCD	
C[C@H](N)C[C@H](C)NC(=O)NCc1ccc(N)cc1	1346499822	DOGIZAQTNHRBDH-UWVGGRQHSA-N	250.346	1.194	10	20	CDCD	
NCC1CCN(C(=O)NCc2ccc(N)cc2)CC1	1346738631	IRQWVXYKUCUXBB-UHFFFAOYSA-N	262.357	1.149	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H](CCF)C(=O)O	1601238794	NUHUHXRFEABYHV-LXOKAJLYSA-N	283.255	1.040	10	20	CDCD	
Cc1cc(N(C)Cc2ccccc2O)cc(-c2nn[nH]n2)n1	1605688123	INPFXNXLFXDOSK-UHFFFAOYSA-N	296.334	1.912	10	20	CDCD	
COC[C@](C)(CC(=O)O)NCc1cc(C)c(C)cc1O	1610243721	PHASOWXEVGVVAI-HNNXBMFYSA-N	281.352	1.978	10	20	CDCD	
COc1cc(C)c(CNC[C@]2(C)CNCCO2)c(O)c1	1579145359	ZBJHIEHSPLAHCK-HNNXBMFYSA-N	280.368	1.177	10	20	CDCD	
COc1cc(C)c(CNCC(C)(C)C(=O)O)c(O)c1	1599390940	CMIWCDDTXLQANX-UHFFFAOYSA-N	267.325	1.910	10	20	CDCD	
CCN(CC)c1ccc(CN(C)C(=O)CC(=O)O)cc1	1596289845	QKFRAZGNMJIGJY-UHFFFAOYSA-N	278.352	1.966	10	20	CDCD	
CN(C)C1(C(=O)NCCc2ccc(O)c(O)c2)CCC1	157831862	VWUWILJIAUHVAS-UHFFFAOYSA-N	278.352	1.241	10	20	CDCD	
CN(C)c1ccc(CNC(=O)C[C@@H](N)C2CC2)cc1	123903454	JUTIKLRXJVIBFL-CQSZACIVSA-N	261.369	1.496	10	20	CDCD	
C[C@@H](CN)N(C)Cc1cccc(Br)c1O	381753359	RPVNEFISKXMMFG-QMMMGPOBSA-N	273.174	1.934	10	20	CDCD	
CO[C@@H]1COC[C@H]1N[C@@H](C)c1cc(F)ccc1O	842912773	VXZNWLJLSFSXRG-RLCGTCKNSA-N	255.289	1.596	10	20	CDCD	
CO[C@@H]1COC[C@H]1NCc1ccc(N2CCCC2)cc1	1308447400	PHGKGGNBQFQYIB-HZPDHXFCSA-N	276.380	1.790	10	20	CDCD	
Fc1cc(CNC[C@H]2CCCO2)ccc1N1CCOCC1	66969958	DOVJFNITKQYFER-CQSZACIVSA-N	294.370	1.931	10	20	CDCD	
OCCN(Cc1ccc(N2CCOCC2)c(F)c1)C1CC1	305737388	URWUHMYRXQLSEW-UHFFFAOYSA-N	294.370	1.619	10	20	CDCD	
COc1ccc(N(C)CCN2CCCC2=O)cc1F	121783780	XXMKPXMWOLWZEG-UHFFFAOYSA-N	266.316	1.893	10	20	CDCD	
O=C(NCc1ccc2c(c1)OCO2)c1cccc(O)c1O	126392346	VVFBBQWBLDTWJQ-UHFFFAOYSA-N	287.271	1.757	10	20	CDCD	
C[C@H](Sc1nccs1)C(=O)NC[C@@H]1CCCO1	48874453	WMWBVFMFZZYTMW-IUCAKERBSA-N	272.395	1.919	10	20	CDCD	
CCOc1cccc(CN2CCN[C@H](C)C2)c1O	88058604	KFTHSQNJEUEJMY-LLVKDONJSA-N	250.342	1.585	10	20	CDCD	
COc1cc(N2CC[C@@H](O)[C@@H](C)C2)c([N+](=O)[O-])cc1OC	229433641	SZTSHMZIJPSCIL-JOYOIKCWSA-N	296.323	1.819	10	20	CDCD	
CCOC1CC(CC(=O)NCCc2ccc(O)c(O)c2)C1	190718828	WBALIQNCCSPJOK-UHFFFAOYSA-N	293.363	1.962	10	20	CDCD	
COc1cccc(CNC(=O)c2cnn3ccncc23)c1O	193595846	JJAUQRMDYXFETK-UHFFFAOYSA-N	298.302	1.374	10	20	CDCD	
CCN1CCCN(Cc2cccc(C)c2O)CC1=O	191537825	AKFQSTHPNOWJJK-UHFFFAOYSA-N	262.353	1.755	10	20	CDCD	
COc1ccc(O)c(CNC(=O)Nc2cnns2)c1	192343544	JWSPQLWCSYDKIR-UHFFFAOYSA-N	280.309	1.574	10	20	CDCD	
COCCN1CC[C@H](N[C@@H]2CCc3cccc(O)c32)C1	297933705	XTNNISBDQUVVSW-UONOGXRCSA-N	276.380	1.690	10	20	CDCD	
CCCNC(=O)CN[C@H](C)c1cc(C(=O)OC)ccc1O	273387145	JWBVUGRSIZPSEC-SNVBAGLBSA-N	294.351	1.356	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2CC[C@H]([C@@H](C)O)C2)c1O	278493254	LVJXPPUCEBUEJT-ZJUUUORDSA-N	296.323	1.512	10	20	CDCD	
COC[C@@H](NCc1cc([N+](=O)[O-])ccc1O)[C@@H]1CCCO1	278591113	GYEMRFQJSCGUCX-OCCSQVGLSA-N	296.323	1.584	10	20	CDCD	
CN(C)c1ccc(CNC(=O)Nc2ncn(C)n2)cc1F	296830548	RCUBNWUJKXSXMD-UHFFFAOYSA-N	292.318	1.342	10	20	CDCD	
CC(C)N(C)C[C@@H](C)NC(=O)c1c(F)ccc(O)c1O	295964221	HYEISYBPYGEAQW-SECBINFHSA-N	284.331	1.695	10	20	CDCD	
CC1(C)C[C@@H](NC(=O)c2c(F)ccc(O)c2O)CCO1	296639932	WMRJHQMLZYNBEA-QMMMGPOBSA-N	283.299	1.924	10	20	CDCD	
CC(=O)C(=O)CS(=O)(=O)c1ccccc1Cl	808024934	WGBUGPYLFCKNSZ-UHFFFAOYSA-N	260.698	1.272	10	20	CDCD	
C[C@@H](OC[C@@H]1CCCCO1)C(=O)NCc1ccccc1O	299602300	VUIIUBQRUKWFLK-OCCSQVGLSA-N	293.363	1.983	10	20	CDCD	
Nc1ccc(CCNC(=O)CC[C@H]2CCCN2)cc1	294929931	DCLLWWBFLVICQJ-CQSZACIVSA-N	261.369	1.460	10	20	CDCD	
CN1CC[C@@H]2CN(Cc3cc4c(cc3O)OCO4)C[C@@H]21	824892727	AHJMPNHVWVFJBE-PWSUYJOCSA-N	276.336	1.257	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H](C)CN)c1	828667521	RUIJAZGJDAJIBA-IUCAKERBSA-N	252.314	1.173	10	20	CDCD	
CO[C@@H](C)CNC(=O)N(C)Cc1ccccc1O	821464609	NVIREOCYIQUDOR-JTQLQIEISA-N	252.314	1.569	10	20	CDCD	
O=C(N[C@@H](CO)CC1CC1)c1c(F)ccc(O)c1O	830745175	MQJLYSNMPJMSMJ-MRVPVSSYSA-N	269.272	1.128	10	20	CDCD	
CCCOc1ccc(CN2CCS(=O)(=O)CC2)c(O)c1	132285117	YIZSHRKBVOCXMJ-UHFFFAOYSA-N	299.392	1.411	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)c1cc(O)n(C)n1	830141457	ULCYOFOCQTYZTJ-UHFFFAOYSA-N	289.335	1.884	10	20	CDCD	
CS[C@@H](C)CC(=O)N(CC(=O)O)Cc1ccccc1O	911493854	PTMUFYPXMQDHJQ-JTQLQIEISA-N	297.376	1.947	10	20	CDCD	
C[C@@H](N)[C@H]1CN(Cc2c(O)ccc(Cl)c2F)CCO1	843056785	ZSYZTVSYIWSLCJ-PRHODGIISA-N	288.750	1.733	10	20	CDCD	
Cc1cc(O)c(CN2CCN([C@@H]3CCNC3)CC2)cc1C	843124550	HMQGJEKXNOLCFQ-MRXNPFEDSA-N	289.423	1.489	10	20	CDCD	
CC[C@@](NC(=O)Cc1ccc(N)cc1)(C(N)=O)C(C)C	843493273	RTDSCDYAOWGDGD-HNNXBMFYSA-N	277.368	1.218	10	20	CDCD	
CO[C@@H](CC(=O)NCc1ccccc1O)C(F)(F)F	845832297	AXTDTALXYHGSRF-JTQLQIEISA-N	277.242	1.976	10	20	CDCD	
CCC[C@H](O)[C@@H](CO)NCc1ccc2c(c1)CCCO2	922183265	QHMKFVLZMCWAAD-CABCVRRESA-N	279.380	1.623	10	20	CDCD	
CCN1C[C@H](CNCc2cc(C)c(C)cc2O)CC1=O	846092320	CDLSPFILDHOIEA-ZDUSSCGKSA-N	276.380	1.967	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)OCCOC1CC1	922545229	IUNPXFMUDWVALK-QHHAFSJGSA-N	264.277	1.833	10	20	CDCD	
O=C(OCCC1OCCO1)c1cccc(O)c1O	758562280	SMNDPFNRIZTSQH-UHFFFAOYSA-N	254.238	1.018	10	20	CDCD	
CCOc1ccc(CN[C@]2(CO)CCOC2)c(O)c1	757978684	PKZDURYJPJZDHE-AWEZNQCLSA-N	267.325	1.032	10	20	CDCD	
C[C@H]1COC[C@H]1NC(=O)N(C)Cc1ccccc1O	925991848	JBMNJTDBEHZXMJ-CMPLNLGQSA-N	264.325	1.569	10	20	CDCD	
CN(C)c1ccc(CNCCN2CC[C@H](O)C2)cc1F	858339227	SHZJJPVJCKIHLL-ZDUSSCGKSA-N	281.375	1.048	10	20	CDCD	
C[C@H](NCc1ccc(C(N)=O)nc1)c1ccc(F)cc1O	756639769	CXVJOCMNTIEPJB-VIFPVBQESA-N	289.310	1.876	10	20	CDCD	
Cc1ccc(C(=O)N2CCC[C@@H]2[C@H](C)O)c(O)c1O	855870406	XWATVRGDAZIKJC-GXSJLCMTSA-N	265.309	1.392	10	20	CDCD	
CCCNC(=O)CCC(=O)NCc1cc(C)ccc1O	862759490	DXINKRIDWNVEIM-UHFFFAOYSA-N	278.352	1.623	10	20	CDCD	
CN1CCCC[C@@H](CNC(=O)c2cc(O)cs2)C1	862792919	FWFJMBXSYZTXLL-JTQLQIEISA-N	268.382	1.915	10	20	CDCD	
COc1cccc(CNC(=O)CN2[C@@H](C)CC[C@@H]2C)c1O	769507246	BEGUJVRWRDVEOZ-RYUDHWBXSA-N	292.379	1.890	10	20	CDCD	
Cc1ccc(CNC(C)(C)CS(C)(=O)=O)c(O)c1	877361222	RSALFTVEZBYPIM-UHFFFAOYSA-N	271.382	1.613	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1cc(CO)on1	865904524	OFOJZZGYIMUMGQ-UHFFFAOYSA-N	289.335	1.471	10	20	CDCD	
C[C@H](NC[C@H]1COCCN1)c1cc(F)cc(F)c1O	863544677	BEENQJCWRIRBDK-WPRPVWTQSA-N	272.295	1.309	10	20	CDCD	
C[C@H]1CC[C@H](C)N1CC(=O)NCCc1ccc(O)c(O)c1	767776836	YGEZXXFGELJUCG-RYUDHWBXSA-N	292.379	1.629	10	20	CDCD	
CCOC(=O)CC(=O)[C@@H](C)OC(=O)c1cc(O)cs1	873359755	LXJPJAZTVOHUCS-SSDOTTSWSA-N	286.305	1.521	10	20	CDCD	
CN1CCN(c2ccc(CN3CC[C@H](O)C3)cc2F)CC1	1116441039	FNQYNIGAXMRVRZ-AWEZNQCLSA-N	293.386	1.144	10	20	CDCD	
C[C@H]1OCC[C@@H]1C(=O)NCc1ccc(O)c(O)c1	778914765	LOLYDLJECGARQQ-SCZZXKLOSA-N	251.282	1.139	10	20	CDCD	
C[C@H](NS(=O)(=O)NC1CC1)c1ccc(N(C)C)cc1	773083909	LQYDBLVBIOHJPI-JTQLQIEISA-N	283.397	1.400	10	20	CDCD	
CN(CCNC(=O)N(C)C)Cc1ccc(N(C)C)c(F)c1	779431710	BVAIMENJRZYZLH-UHFFFAOYSA-N	296.390	1.595	10	20	CDCD	
COc1ccc(O)c(CN[C@@H](C)Cc2cnccn2)c1	776066462	SALLFTIRJPMFGP-NSHDSACASA-N	273.336	1.912	10	20	CDCD	
Cc1cccc(O)c1CNCCS(=O)(=O)NC(C)C	877021506	UPCPFGLZQKSKLI-UHFFFAOYSA-N	286.397	1.118	10	20	CDCD	
CCC(=O)N1CC[C@@H](NCc2ccc(C)cc2O)C1	877090124	RTVBGAVWCAHZHP-CYBMUJFWSA-N	262.353	1.801	10	20	CDCD	
CNC(=O)C1(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CC1	773019336	KSEMMSUPMJNJCR-NSHDSACASA-N	289.379	1.456	10	20	CDCD	
Nc1ccc(CNC(=O)N2CC[C@@]3(CCNC3)C2)cc1	1120677166	LWYRPZSGNMXFPC-OAHLLOKOSA-N	274.368	1.164	10	20	CDCD	
COCc1nccc(N(C)Cc2ccccc2O)n1	893019967	YGEINJJKWHNLHJ-UHFFFAOYSA-N	259.309	1.965	10	20	CDCD	
C[C@H]1C[C@H](O)CN1Cc1ccc(N2CCN(C)CC2)cc1	788271165	ZRXYGLVTBLFNBD-YOEHRIQHSA-N	289.423	1.394	10	20	CDCD	
Cc1nnc(CNC(=O)/C=C\c2ccc(O)c(O)c2)s1	781047491	CCESLUUJGNKIGI-HYXAFXHYSA-N	291.332	1.587	10	20	CDCD	
O=C(N[C@@H]1CCCC12OCCO2)c1cc(O)cs1	898948383	QHXHVPVTRULEAC-SNVBAGLBSA-N	269.322	1.479	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@@H]1CCCOC1	793796518	LFNGBWFREBHWMQ-AAEUAGOBSA-N	293.363	1.962	10	20	CDCD	
Oc1cc2c(cc1CN1CC(OC(F)F)C1)[C@@H](O)CO2	797821127	DNVKXHUDQMTVJM-NSHDSACASA-N	287.262	1.241	10	20	CDCD	
COc1ccc(CNC(=O)c2ccc3nccn3c2)c(O)c1	794379039	IQBBNRJZDDJBAN-UHFFFAOYSA-N	297.314	1.979	10	20	CDCD	
Cc1ccc(O)c([C@@H](C)NCCS(C)(=O)=O)c1	37740748	QODOSBACWKCNGA-SNVBAGLBSA-N	257.355	1.396	10	20	CDCD	
O=C(O)C1(CNCc2cccc(F)c2O)CCOCC1	1326220450	BPXCUZGADXSSRR-UHFFFAOYSA-N	283.299	1.502	10	20	CDCD	
CCC[C@H](O)CCNC(=O)NCCc1ccc(N)cc1	1335551460	MICXBCDIRWRNSB-AWEZNQCLSA-N	279.384	1.662	10	20	CDCD	
Cn1nnc2c1CC[C@H](NCc1ccc(N)cc1)C2	1334774194	GHJWDMLVFKTTQH-LBPRGKRZSA-N	257.341	1.044	10	20	CDCD	
COC(=O)N1CCN(Cc2c(O)cccc2OC)CC1	768931122	GKRGKSZNDNBVKL-UHFFFAOYSA-N	280.324	1.285	10	20	CDCD	
CC(=O)N1CCCC[C@H]1C(=O)NCc1ccc(N)cc1	1342019483	DQOICMRNAHHYBZ-AWEZNQCLSA-N	275.352	1.286	10	20	CDCD	
CN1CCCC[C@H]1C(=O)NCc1cccc(O)c1O	1347234926	SFEWXRPYLBSUBI-NSHDSACASA-N	264.325	1.198	10	20	CDCD	
Nc1ccc(CNC(=O)CCC2CCNCC2)cc1	1342699369	LCRHPMJNSIYYLX-UHFFFAOYSA-N	261.369	1.665	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)C[C@H]1COC(=O)C1	1340590311	OYSKFHFCBPLVFJ-SNVBAGLBSA-N	263.293	1.304	10	20	CDCD	
CC(C)NC(=O)CCN[C@@H](C)c1cc(C(=O)O)ccc1O	1609707043	GKGUHHKDTWCJIV-JTQLQIEISA-N	294.351	1.656	10	20	CDCD	
Cc1oc(C(=O)O)cc1C(=O)NCc1cccc(O)c1O	1600826019	DZYHBVDAVWKXDG-UHFFFAOYSA-N	291.259	1.627	10	20	CDCD	
Cc1ccc(O)c([C@H](C)NCCOCC(=O)O)c1	1605296629	OKNYULFBPQKWLA-JTQLQIEISA-N	253.298	1.452	10	20	CDCD	
O=C(O)[C@H](CF)NCc1cccc(Br)c1O	1608533403	LHWVSRTZMLXSJO-QMMMGPOBSA-N	292.104	1.667	10	20	CDCD	
COC(=O)CN(CC(=O)O)Cc1ccc(N(C)C)c(C)c1	1610184575	AEZIXIDIGHTHTG-UHFFFAOYSA-N	294.351	1.121	10	20	CDCD	
C[C@H]1NCC[C@@H]1NC(=O)c1ccc(N=NC(N)=O)cc1	1579504959	AFKRMKXUDWSWRT-KCJUWKMLSA-N	275.312	1.329	10	20	CDCD	
COc1ncccc1C(=O)NCc1ccc(O)c(O)c1	158977264	GIRHKSHEKNEBAJ-UHFFFAOYSA-N	274.276	1.431	10	20	CDCD	
CCn1nccc1CNCc1c(O)cccc1OC	853093123	CWXCLYVFNDSDLD-UHFFFAOYSA-N	261.325	1.907	10	20	CDCD	
COc1cccc(CN(CC(=O)O)C2CCC2)c1O	848638660	AZTLRIXPIJVITB-UHFFFAOYSA-N	265.309	1.840	10	20	CDCD	
Cn1nccc1CCNCc1ccc2c(c1)CCO2	231033127	QVAGLJLHINGRAG-UHFFFAOYSA-N	257.337	1.687	10	20	CDCD	
CC[C@@H](NC(=O)c1cccc(O)c1O)c1ncc[nH]1	126560037	USLFRPSGQRYZAA-SECBINFHSA-N	261.281	1.702	10	20	CDCD	
COc1ccc(CN[C@@H]2CCCCNC2=O)cc1C	37282812	WTGWLBOGOSCAEG-CYBMUJFWSA-N	262.353	1.762	10	20	CDCD	
CCOc1ccccc1NC[C@@H](O)Cn1cccn1	37875009	UPSUSMHAPMBSBA-GFCCVEGCSA-N	261.325	1.755	10	20	CDCD	
c1cc2c(cc1CN[C@H]1CCN(C3CC3)C1)CCO2	44687436	DFXPGFUUHDVAMS-AWEZNQCLSA-N	258.365	1.948	10	20	CDCD	
O[C@H]1CCC[C@@H]1NCc1ccc(N2CCOCC2)cc1	323329720	VNPLIVRMIVQSQR-HOTGVXAUSA-N	276.380	1.526	10	20	CDCD	
O=C1C[C@@H](CNCc2cc(Cl)cc(Cl)c2O)CN1	398401899	NVZAGCASAMVWJA-ZETCQYMHSA-N	289.162	1.925	10	20	CDCD	
OC[C@H](C[C@@H]1CCCO1)NCc1ccccc1O	886229556	ROCAYSMPNDEALI-STQMWFEESA-N	251.326	1.412	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2CC(=O)NCC1CC1	175024553	AMHXJAXRXASOGH-UHFFFAOYSA-N	289.379	1.478	10	20	CDCD	
COC[C@H](O)CNCc1cc(Cl)cc([N+](=O)[O-])c1O	117946868	RDMTYDLDDAMEFP-SECBINFHSA-N	290.703	1.051	10	20	CDCD	
CC(C)c1ncc(C=C2C(=O)N(C)C(=O)N(C)C2=O)s1	123325973	QJTCWHNPTFVSHQ-UHFFFAOYSA-N	293.348	1.700	10	20	CDCD	
O=C(O)CCCCNC(=O)c1cccc(O)c1O	126034652	BTLWMSHWPIQLER-UHFFFAOYSA-N	253.254	1.083	10	20	CDCD	
CC[C@@H](CCO)NC(=O)/C=C/c1ccc(O)c(O)c1	181213321	OUOKBGFIJTVTSS-MALLOTDXSA-N	265.309	1.388	10	20	CDCD	
O=C(O)CN(Cc1cc(F)ccc1O)CC1CC1	236420615	FNIBXDCKUSUJIX-UHFFFAOYSA-N	253.273	1.828	10	20	CDCD	
Cc1ccc(O)c(CNCC(C)(C)OCCO)c1	288414991	JEFKZYSLGGFTHM-UHFFFAOYSA-N	253.342	1.578	10	20	CDCD	
C[C@@H](O)CN1CCN(Cc2cc(F)ccc2O)CC1	188733588	FBKXZBPYZCONDC-LLVKDONJSA-N	268.332	1.030	10	20	CDCD	
O=C(NC[C@@H](O)C1CCCCC1)c1cccc(O)c1O	187070601	PDAZTOLTWGERCH-CYBMUJFWSA-N	279.336	1.769	10	20	CDCD	
CN(CC(=O)N(C)C)Cc1cc(Cl)ccc1O	132120020	QVTYGUCNAJSHII-UHFFFAOYSA-N	256.733	1.566	10	20	CDCD	
COc1cc(Cl)cc(CN[C@H]2C(=O)NCC[C@@H]2C)c1O	195008165	RBTOWCASOPMXHD-QPUJVOFHSA-N	298.770	1.668	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)NC[C@@H](C)O)cc1F	192444581	IBOWMPQKTZFFMZ-LLVKDONJSA-N	297.374	1.852	10	20	CDCD	
Cc1ccc(O)c(CN2CCNC(=O)[C@H]2C(C)C)c1	93055374	BNKFULWIPAEFBK-CQSZACIVSA-N	262.353	1.657	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@H](N)C(C)(C)C)cc1F	237056753	PXZFNDBBRWBNAV-CYBMUJFWSA-N	281.375	1.881	10	20	CDCD	
CCOc1ccc(O)c(CN2CCNC(=O)C[C@H]2C)c1	367670558	NMIDYMVRRYBOIC-LLVKDONJSA-N	278.352	1.501	10	20	CDCD	
COc1cc(O)c(CN2CCCN(C)CC2)cc1OC	271856665	XNXIGENUSCJSCY-UHFFFAOYSA-N	280.368	1.547	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2CCCOCC2)c1O	365496883	WDCNJBLGCWQDEW-UHFFFAOYSA-N	282.296	1.531	10	20	CDCD	
CCOc1ccc(O)c(CN2C[C@H](OC)[C@H](OC)C2)c1	277407368	ZKBJNUGVNYDPHR-GASCZTMLSA-N	281.352	1.637	10	20	CDCD	
O=C(NCc1ccccc1O)NC[C@H]1CCSC1	279148501	BNDZUQWLFIURCA-SNVBAGLBSA-N	266.366	1.945	10	20	CDCD	
Cc1ccc([C@@H](C)NC[C@H](O)CN2CCCC2)c(O)c1	273369755	FSCPOAXBKDVYJQ-KGLIPLIRSA-N	278.396	1.808	10	20	CDCD	
C[C@H](NC[C@H](CO)[C@@H]1CCOC1)c1ccccc1O	280923890	RHGLFDDILWXPAQ-YNEHKIRRSA-N	265.353	1.688	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@@H](NC(N)=O)C(C)(C)C	283371592	JMSUZOIRITTWKW-GFCCVEGCSA-N	293.367	1.434	10	20	CDCD	
CC[C@H](NC[C@@H]1CN(C)CCN1C)c1ccc(F)cc1O	285520328	BDGVFUCQIPMWQC-HIFRSBDPSA-N	295.402	1.818	10	20	CDCD	
CN1CCC(CCNC(=O)c2c(F)ccc(O)c2O)CC1	294808147	FQBPYKBWBCSGEP-UHFFFAOYSA-N	296.342	1.699	10	20	CDCD	
C[C@H](CN[C@@H]1CCc2cccc(O)c21)N1CCN(C)CC1	297933953	XVAWBPZJBLATDO-UKRRQHHQSA-N	289.423	1.605	10	20	CDCD	
C[C@H](OC[C@H]1CCCCO1)C(=O)NCc1ccc(N)cc1	297145794	ILXJWJJDOZIPKP-SWLSCSKDSA-N	292.379	1.859	10	20	CDCD	
CCOC(=O)[C@H](C)CNC(=O)c1c(F)ccc(O)c1O	295066021	HLTIOOHDFHJSIT-SSDOTTSWSA-N	285.271	1.166	10	20	CDCD	
CCc1cnc(CNC(=O)c2cc(O)cs2)o1	807260097	POKPIBYMEOLXIE-UHFFFAOYSA-N	252.295	1.934	10	20	CDCD	
CN1[C@H]2CC[C@H]1CC(NCc1cc3c(cc1O)OCO3)C2	294728923	DEZUQBWAOABLTC-STQMWFEESA-N	290.363	1.836	10	20	CDCD	
COCC[C@@H](C)N1C(=O)CN(Cc2ccccc2O)C1=O	819168531	TXQXOCIVFVACLK-LLVKDONJSA-N	292.335	1.581	10	20	CDCD	
COc1ccc(O)c([C@H](C)NCCNC2CC2)c1	817953990	UOPOXQFFYDMWLN-JTQLQIEISA-N	250.342	1.803	10	20	CDCD	
O=C(NCc1ccccc1O)c1cc(O)nc(C2CC2)n1	816911852	BAYSOJZKZMKPQA-UHFFFAOYSA-N	285.303	1.695	10	20	CDCD	
CN1CC[C@@H](C(=O)NCc2ccc(N(C)C)cc2)C1	729282132	KXYSDTSKIGGGLU-CYBMUJFWSA-N	261.369	1.321	10	20	CDCD	
C[C@@H](CN)C(=O)NCc1ccc(N2CCSCC2)cc1	827320527	KUPXOKPDZAWITM-LBPRGKRZSA-N	293.436	1.451	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)/C=C2/SCC(=O)N2C)c1	824904447	OCDMCVHPLSAOGQ-MKMNVTDBSA-N	292.360	1.363	10	20	CDCD	
COc1cccc(CNC(=O)[C@@H](O)c2cccnc2)c1O	732284523	VEVRNDZLFNXVLA-AWEZNQCLSA-N	288.303	1.146	10	20	CDCD	
COc1ccc(O)c(CNCCc2cnc(C)cn2)c1	835062773	XCQSRFKLWPJRED-UHFFFAOYSA-N	273.336	1.832	10	20	CDCD	
O=C(O)C[C@]1(NCc2ccc3c(c2)CCO3)CCCOC1	901527927	WKLOLJPQGZMHFO-MRXNPFEDSA-N	291.347	1.735	10	20	CDCD	
COc1cc(O)c(CN2C[C@@H](CN)C[C@H]2C)cc1OC	843057853	MNFMNHSFAJHDEH-GHMZBOCLSA-N	280.368	1.579	10	20	CDCD	
C[C@H]1COC[C@H]1NC(=O)NCc1ccccc1O	915525143	NUJCAVXAJSNWSD-GXSJLCMTSA-N	250.298	1.226	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@H](C)C(=O)O	848580121	VYKASRUXACKWGZ-LLVKDONJSA-N	293.367	1.581	10	20	CDCD	
COCC[C@H](C)CNC(=O)c1ccc(C)c(O)c1O	840494240	MWBWLXCFXCRWBK-VIFPVBQESA-N	267.325	1.809	10	20	CDCD	
CCN1C(=O)C(C)(C)N[C@H]1c1ccc(O)c(O)c1	840833666	SJHLWPMRDIZEFN-LLVKDONJSA-N	250.298	1.327	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NCC(C)(C)N)cc1	841654057	MKUQUGKMDSBHJF-UHFFFAOYSA-N	264.373	1.289	10	20	CDCD	
Oc1c(Cl)cccc1CN1CC[C@H](N2CCNCC2)C1	843120699	BQBOFKOTQNYLKM-ZDUSSCGKSA-N	295.814	1.525	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H](CO)CCF	844987872	DXAPVDOXMCVJMQ-CYBMUJFWSA-N	297.374	1.581	10	20	CDCD	
CN(C)c1ccc([C@@H](N)CNCC(C)(C)N)cc1	843126691	UHNXLSUHNRVOJI-ZDUSSCGKSA-N	250.390	1.079	10	20	CDCD	
C[C@H](N)[C@H]1CN(Cc2ccc(N(C)C)c(F)c2)CCO1	843058263	QMMRJZHJKNIAMV-XHDPSFHLSA-N	281.375	1.440	10	20	CDCD	
CC(C)OCCS(=O)(=O)N[C@H](C)c1ccccc1O	867833917	HQJLISQHWLVEGX-LLVKDONJSA-N	287.381	1.798	10	20	CDCD	
CCn1cc(CN[C@H](C)c2cccc(OC)c2O)nn1	850522763	ZRHAASIHOBEBHP-SNVBAGLBSA-N	276.340	1.863	10	20	CDCD	
CCCN1CC[C@H](NC(=O)NCc2ccccc2O)C1	852632024	OHKXXMNZNFENTA-ZDUSSCGKSA-N	277.368	1.676	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@@]2(C)CCOC2)c1	755529494	HWMYPNAUZPOAPY-AWEZNQCLSA-N	265.309	1.444	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)OCCn1ccnc1	759597311	QMQPAQCXEOXRTM-RQOWECAXSA-N	274.276	1.551	10	20	CDCD	
CCOc1cccc(CN[C@H]2CCC[C@H]2C(=O)NC)c1O	765797242	RBBWRVFJLFEVNB-OLZOCXBDSA-N	292.379	1.795	10	20	CDCD	
Cc1ccc([C@H](C)NCc2nnnn2CC2CC2)c(O)c1	769989860	RFUOKPUSNHCFRV-NSHDSACASA-N	287.367	1.948	10	20	CDCD	
CC(C)N(C)C[C@H](O)CN[C@H](C)c1ccccc1O	879649549	VXCVNRDHCJOLOE-CHWSQXEVSA-N	266.385	1.744	10	20	CDCD	
Cc1cccc(O)c1CN1CCN(C[C@@H]2CCCO2)CC1	876541515	FWHYUVUZNCHGII-HNNXBMFYSA-N	290.407	1.997	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@H]2CCO[C@@H](C)C2)c1	776475985	ITASSHUCPZETGI-QWRGUYRKSA-N	279.336	1.832	10	20	CDCD	
COC(=O)CCC(=O)N[C@H](C)c1ccc(N(C)C)cc1	775408792	BYWXMIAZKMWGKQ-LLVKDONJSA-N	278.352	1.883	10	20	CDCD	
Cc1nonc1CNC(=O)/C=C/c1ccc(O)c(O)c1	779518741	MJNPXYQEHAMKEQ-HWKANZROSA-N	275.264	1.119	10	20	CDCD	
CC[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)C[C@H]1O	770378187	DYVOBNCZYBTFQE-NVXWUHKLSA-N	290.407	1.726	10	20	CDCD	
CSC1(C(=O)OCC(=O)c2ccc(O)c(O)c2)CC1	784904558	LUUCUTDLZTYYLW-UHFFFAOYSA-N	282.317	1.719	10	20	CDCD	
COc1ccc(CN2CC[C@H](CN(C)C)C2)c(O)c1OC	892033831	INWXWQMDPFVULB-GFCCVEGCSA-N	294.395	1.793	10	20	CDCD	
CCOc1cccc(CN2C[C@@H](O)C[C@@]2(C)CO)c1O	895327952	FGVHGVYFYZYOIW-WFASDCNBSA-N	281.352	1.109	10	20	CDCD	
COc1cc(C)cc(CNCC(=O)NC2CC2)c1O	894783601	WJDWTZANZXLJBW-UHFFFAOYSA-N	264.325	1.077	10	20	CDCD	
COc1ccc2c(c1)CCCN2C[C@@H]1CCS(=O)(=O)C1	789284553	KWAJLOTTXKOVCK-LBPRGKRZSA-N	295.404	1.883	10	20	CDCD	
COc1ccc(CN[C@@H](CCO)C(C)C)c(O)c1OC	893056259	KYVJBDQKJUZSLG-LBPRGKRZSA-N	283.368	1.906	10	20	CDCD	
CN(Cc1ccc(N2CCCC2)cc1)[C@@H]1CCNC1=O	1319727769	BGMROFHQIUNUFQ-OAHLLOKOSA-N	273.380	1.607	10	20	CDCD	
COc1cccc(CNC(=O)c2cnc(C3CC3)[nH]2)c1O	1319464318	NDVRPOJERMJFTI-UHFFFAOYSA-N	287.319	1.931	10	20	CDCD	
C[C@@H](O)CNCc1cccc(Br)c1O	42411920	NYJDEOUBJNFXPK-SSDOTTSWSA-N	260.131	1.625	10	20	CDCD	
CC[C@@](C)(OC)C(=O)NCCc1ccc(O)c(O)c1	280504589	PQAJXMPBUXQIFX-CQSZACIVSA-N	267.325	1.572	10	20	CDCD	
CCN(Cc1cccc(OC)c1O)[C@@H]1CCNC1=O	281833644	SHASPZRFYNNITD-LLVKDONJSA-N	264.325	1.111	10	20	CDCD	
CC(C)CC[C@H](N)C(=O)NCc1ccccc1O	704516274	PWHUPSCVUQBCOA-LBPRGKRZSA-N	250.342	1.772	10	20	CDCD	
C[C@@H](NCCN1CCC(CO)CC1)c1cc(F)ccc1O	1342388699	BWWMTLVFJBWATF-GFCCVEGCSA-N	296.386	1.886	10	20	CDCD	
C[C@@H](CCCO)CNC(=O)NCc1ccc(N)cc1	1357790742	GBXQIJQJVDQPLS-NSHDSACASA-N	265.357	1.477	10	20	CDCD	
O=C(NCc1cccc(O)c1O)[C@@H]1CCCCS1	1528770964	IQXJWAMDMFWDHF-NSHDSACASA-N	267.350	2.000	10	20	CDCD	
CCOc1ccc(O)c(CN[C@@]2(CC(=O)O)CCOC2)c1	1610043648	YFTLCQRRVUGCNJ-OAHLLOKOSA-N	295.335	1.514	10	20	CDCD	
COc1cccc(O)c1CNCC[C@@H](C)CCO	824515022	CTMJCXIAHLFXJT-LLVKDONJSA-N	253.342	1.899	10	20	CDCD	
C[C@H](N=c1cc[nH]c(-c2nn[nH]n2)c1)c1ccccc1O	1591771047	SKTSUYJAVQPNOJ-VIFPVBQESA-N	282.307	1.562	10	20	CDCD	
CC(C)[C@H](O)CN[C@@H](C)c1cc(C(=O)O)ccc1O	1593245924	DXEUUICVUWUMAI-TVQRCGJNSA-N	267.325	1.758	10	20	CDCD	
CNS(=O)(=O)CCN[C@H]1C[C@@H](C)c2c(C)ccc(O)c21	221109619	BRGDNWQKCXRMDC-MNOVXSKESA-N	298.408	1.388	10	20	CDCD	
CCn1nnnc1SCC(=O)c1ccc(O)c(O)c1	30970761	PNOYGHJEPFJORB-UHFFFAOYSA-N	280.309	1.079	10	20	CDCD	
COc1ccc(O)c([C@H](C)NCC(=O)NC2CC2)c1	36782389	GZIDFNYUNKJBTN-VIFPVBQESA-N	264.325	1.330	10	20	CDCD	
Cc1ccc(O)c([C@H](C)NCC2(S(C)(=O)=O)CC2)c1	281241260	VEXODIKJAAIXCG-NSHDSACASA-N	283.393	1.928	10	20	CDCD	
CC[C@@H](N[C@H](C)c1cc(OC)ccc1O)C(N)=O	182412428	MHMHTFQSGZDDRP-LDYMZIIASA-N	252.314	1.315	10	20	CDCD	
C[C@@H](N[C@@H]1CCN(S(C)(=O)=O)C1)c1ccccc1O	400271318	MSKFPYVCMZZENV-GHMZBOCLSA-N	284.381	1.077	10	20	CDCD	
CCCN(Cc1cccc(OC)c1O)[C@H]1CCNC1	71314517	TWTVAOZDCWGNRK-ZDUSSCGKSA-N	264.369	1.975	10	20	CDCD	
C[C@H](NCCN1CCCC1=O)c1ccc(F)cc1O	405414905	OMBKTKSXOBXWSE-JTQLQIEISA-N	266.316	1.804	10	20	CDCD	
O=C(NC1CC1)[C@H]1CCCN1Cc1ccccc1O	179559033	LLALDAMYDPJPAP-CYBMUJFWSA-N	260.337	1.635	10	20	CDCD	
C[C@@H](C(=O)Nc1ncccn1)N(C)Cc1ccccc1O	111235119	SBPRLYMDRINCNZ-NSHDSACASA-N	286.335	1.641	10	20	CDCD	
O=C(O)[C@@H]1CN(Cc2c(O)cccc2Cl)CCO1	128828054	TZVMQOOBCZEODI-NSHDSACASA-N	271.700	1.331	10	20	CDCD	
O=S1(=O)CCC[C@H]1CNCc1cccc(Cl)c1O	124860755	PKTPGPNTZGHIJP-JTQLQIEISA-N	289.784	1.712	10	20	CDCD	
C[C@@H](CN1CCN(C)CC1)N[C@H](C)c1cc(F)ccc1O	185393115	SOROEPVDTRXTOK-QWHCGFSZSA-N	295.402	1.818	10	20	CDCD	
CCN(CC)c1ccc(CN2C[C@@H](O)C[C@H]2CO)cc1F	187665264	FJBYTFPWWLNEEF-KBPBESRZSA-N	296.386	1.599	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cnccn1	183462768	VLOSLCPXJTVPSY-VIFPVBQESA-N	273.292	1.249	10	20	CDCD	
COCCN1CC[C@H](NCc2c(O)cccc2Cl)C1	264932766	BMIRKQGTACWBBG-NSHDSACASA-N	284.787	1.856	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)NOC)cc1	193967616	HUERJFPLWOICLY-UHFFFAOYSA-N	251.330	1.893	10	20	CDCD	
Nc1ccc(CC(=O)N2CCC(n3ccnc3)CC2)cc1	237886802	WBRNXHAUIVAIAN-UHFFFAOYSA-N	284.363	1.872	10	20	CDCD	
CNC(=O)[C@@H](C)CN(C)Cc1cc(C)ccc1O	93899534	PXOZMAMVSANRDL-NSHDSACASA-N	250.342	1.515	10	20	CDCD	
O=C(NCc1ccc(N2CCOCC2)cc1)c1cocn1	264283312	VHTQQOCIPPAKKB-UHFFFAOYSA-N	287.319	1.441	10	20	CDCD	
CCCC[C@H](NC(N)=O)C(=O)Nc1ccc(N)cc1	269143778	XRFRCMHEEFJCMT-NSHDSACASA-N	264.329	1.434	10	20	CDCD	
COC(=O)[C@H](C)CNC(=O)/C=C/c1ccc(O)c(O)c1	272461827	ONAMWKNEKIVAIM-OTQAPUNGSA-N	279.292	1.036	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@@H]1CCc2[nH]ncc2C1	270254745	JGPTYYASXXRTCT-LLVKDONJSA-N	285.347	1.879	10	20	CDCD	
CCCN(CC(=O)OC)Cc1cc(OC)c(OC)cc1O	271076467	HFRILGDQNBIWGV-UHFFFAOYSA-N	297.351	1.794	10	20	CDCD	
Oc1ccccc1CN[C@@H]1COc2ccccc2[C@@H]1O	288570457	MYDKWFCEEPWVCU-CJNGLKHVSA-N	271.316	1.976	10	20	CDCD	
O=C(CSC(F)F)NCCc1ccc(O)c(O)c1	295156896	CRPULGRHKINIEY-UHFFFAOYSA-N	277.292	1.712	10	20	CDCD	
CCn1nncc1CNCc1ccc(N(C)C)cc1	841855099	VABZERZFHMUELU-UHFFFAOYSA-N	259.357	1.654	10	20	CDCD	
CCCOc1ccc(CNC[C@H]2CC[C@@H](CO)O2)c(O)c1	292514934	DJWBMSMEDGLPNP-CABCVRRESA-N	295.379	1.811	10	20	CDCD	
CC(=O)N[C@H]1CCN(Cc2cc(Cl)c(F)cc2O)C1	817415402	SELLJZVLICLBHD-JTQLQIEISA-N	286.734	1.895	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)CN(C)C	819756299	REUMHKKLYRZHGW-UHFFFAOYSA-N	257.330	1.056	10	20	CDCD	
Cn1cnc(NCc2ccc(N3CCOCC3)c(F)c2)n1	814255467	OZROLHRPODOWIU-UHFFFAOYSA-N	291.330	1.403	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@H](C)CN)c1	817966366	MFTOTLTXEMLUPW-BDAKNGLRSA-N	252.314	1.177	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)CCc1ncccn1	812475739	YSHGGUZLZCOZPQ-UHFFFAOYSA-N	271.320	1.773	10	20	CDCD	
CC[C@@H]1NCC[C@H]1C(=O)N[C@@H](C)c1cc(OC)ccc1O	828666917	KAXMMYJZFFGUMP-SUHUHFCYSA-N	292.379	1.966	10	20	CDCD	
COc1ccc(O)c(CN(C)C2(CO)CCC2)c1	827903197	FIZNKIWAUQIDSI-UHFFFAOYSA-N	251.326	1.748	10	20	CDCD	
O=C(c1c(F)ccc(O)c1O)N1CCO[C@H](CF)C1	839803618	HMYLHJMLHBTRAL-SSDOTTSWSA-N	273.235	1.047	10	20	CDCD	
O=[N+]([O-])c1cc(Cl)cc(CN[C@@H]2CCC[C@H]2O)c1O	835080303	NQEOMOPLNGDISW-MWLCHTKSSA-N	286.715	1.957	10	20	CDCD	
COC[C@H]1C[C@@H](O)CN1Cc1ccc(N(C)C)c(C)c1	844405512	POFBCONUQQWYLJ-HUUCEWRRSA-N	278.396	1.643	10	20	CDCD	
C[C@H]1CC[C@H](NC(=O)C(=O)Nc2ccc(N)cc2)C1	841095100	AFFFNWLIMUTXND-CABZTGNLSA-N	261.325	1.512	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)[C@@H]1OC[C@@H]2CCC[C@@H]21	910957010	NGSMPUIZOBNLBJ-VHRBIJSZSA-N	277.320	1.529	10	20	CDCD	
CN(C)c1ccc(CN2CCC(O)(CN)CC2)cc1F	841107894	MFGNQURBTHGPDA-UHFFFAOYSA-N	281.375	1.177	10	20	CDCD	
CC(C)[C@H](C)N(C)C(=O)C(=O)Nc1ccc(N)cc1	841013991	CXTISHBWONGGIV-JTQLQIEISA-N	263.341	1.710	10	20	CDCD	
COc1ccc(CCC(=O)NCCc2ccc(N)cc2)cn1	911782422	IPPCVHOTMXZROS-UHFFFAOYSA-N	299.374	1.964	10	20	CDCD	
O=C(OCCOC[C@@H]1CCCO1)c1cc(O)cs1	741317736	KAESTQCNRKXCRZ-JTQLQIEISA-N	272.322	1.806	10	20	CDCD	
C[C@@H]1NCCN(Cc2cc3c(cc2O)OCO3)[C@@H]1C	843057224	GUZRMRRTWRPJAA-VHSXEESVSA-N	264.325	1.303	10	20	CDCD	
CCOc1ccc(CNC[C@H]2CCCN2)c(O)c1	841035119	HOYAIKMOVANRSA-GFCCVEGCSA-N	250.342	1.633	10	20	CDCD	
Nc1ccc(CCNC(=O)N[C@H]2CCC[C@H](N)C2)cc1	841955926	RMTPCQUSULSNKK-KBPBESRZSA-N	276.384	1.380	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1cn(C)cn1	759113900	QVMKYLSDHRRCET-UHFFFAOYSA-N	272.352	1.725	10	20	CDCD	
CC[C@@H](NC)C(=O)NCc1ccc(N2CCCC2)cc1	852786327	VKFVKMXEILNPMB-OAHLLOKOSA-N	275.396	1.901	10	20	CDCD	
COc1ccc(N2CCN(C[C@H]3CCOC3)CC2)cc1F	753858988	YVPOBHWICASKEE-CYBMUJFWSA-N	294.370	1.993	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)NCc1cccnn1	768595132	CUQXCSIDKHKOBZ-XQRVVYSFSA-N	271.276	1.217	10	20	CDCD	
CN(C)c1ccc(CNC[C@@]2(C(=O)O)CCCOC2)cc1	864521060	DIYALDYAYUXZFH-INIZCTEOSA-N	292.379	1.724	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@]1(N)CC1(F)F	867960645	OCEFHJUXYYJHSG-CYBMUJFWSA-N	283.322	1.414	10	20	CDCD	
OCCOC1CCN(Cc2cc3c(cc2O)OCO3)CC1	769538002	OMSILKRSHXPEMC-UHFFFAOYSA-N	295.335	1.094	10	20	CDCD	
C[C@H](NC(=O)c1cc(O)ncn1)c1ccc(N(C)C)cc1	860950292	LCICLSLYKUYJLM-JTQLQIEISA-N	286.335	1.739	10	20	CDCD	
Cc1ccc(CN2CCC[C@@H](OCCO)C2)c(O)c1	876722286	YZHWVAMFJICRPN-CQSZACIVSA-N	265.353	1.674	10	20	CDCD	
CC(=O)NC1CCN(Cc2c(C)cccc2O)CC1	876652439	OTJAKNIYDCMXQX-UHFFFAOYSA-N	262.353	1.801	10	20	CDCD	
CCOc1ccc(CN(C)[C@@H]2CCNC2=O)c(O)c1	770384350	XNQAYNGIZQMKGO-GFCCVEGCSA-N	264.325	1.111	10	20	CDCD	
COCCO[C@@H]1COCC[C@@H]1N[C@H](C)c1ccccc1O	776868582	IQXHETLBPIKTFF-IVMMDQJWSA-N	295.379	1.863	10	20	CDCD	
CN1CCN(c2ccc(CNC(=O)c3cc[nH]c3)cc2)CC1	881852219	ZHDORHSSYVMTSR-UHFFFAOYSA-N	298.390	1.697	10	20	CDCD	
CC[C@H]1CC[C@H](C(=O)OCC(=O)c2ccc(O)c(O)c2)O1	784104047	MTWOUJSTHVDZOU-IINYFYTJSA-N	294.303	1.781	10	20	CDCD	
Cc1ccc(C(=O)N2CC[C@@H](CN(C)C)C2)c(O)c1O	780938453	LXQNXKKSXBYZFH-NSHDSACASA-N	278.352	1.430	10	20	CDCD	
COc1ccc(CN[C@@H](C)[C@H]2CCOC2)c(O)c1OC	893070371	HTJSRYSBTOXGTA-JQWIXIFHSA-N	281.352	1.924	10	20	CDCD	
COc1ccc(CNC(=O)[C@@H]2CCCS2)c(O)c1	794378874	FWZOTBODQGCFOX-LBPRGKRZSA-N	267.350	1.913	10	20	CDCD	
COc1ccc(CNc2nccc(OC)n2)c(O)c1	795285665	UEPGDWCLBMRTKM-UHFFFAOYSA-N	261.281	1.812	10	20	CDCD	
CC(C)CNC(=O)NC(=O)CN(C)c1ccc(N)cc1	702070940	FPPZSXYNDZGKNW-UHFFFAOYSA-N	278.356	1.187	10	20	CDCD	
CC1(C(=O)O)CN(Cc2c(O)cccc2Cl)C1	399206863	PUJDWIWQHXYYNC-UHFFFAOYSA-N	255.701	1.952	10	20	CDCD	
CC(C)NCCCNC(=O)c1ccc(N=NC(N)=O)cc1	1177238116	RKFDXPARCYMKDR-UHFFFAOYSA-N	291.355	1.967	10	20	CDCD	
Nc1ccc(S(=O)(=O)NCc2ccccc2O)cc1	722213437	CSQFSOQEJFQCND-UHFFFAOYSA-N	278.333	1.453	10	20	CDCD	
CCN1CCC[C@@H](NC(=O)Nc2ccc(N)cc2)C1=O	722349318	OUAICVZODWMMOP-GFCCVEGCSA-N	276.340	1.401	10	20	CDCD	
COc1cc(Cl)cc(CN2CCNC[C@@H]2C)c1O	722385816	KIECGTKUWSQDKQ-VIFPVBQESA-N	270.760	1.848	10	20	CDCD	
CN1C(=O)CC[C@H](NCc2cc(Cl)ccc2O)C1=O	90026431	FMMKJKXNJMOKBS-JTQLQIEISA-N	282.727	1.283	10	20	CDCD	
Cc1nc(C(=O)NCCc2ccc(O)c(O)c2)co1	776355005	LRYBGAHZRYMFTO-UHFFFAOYSA-N	262.265	1.367	10	20	CDCD	
Nc1ccc(CNC2CCN(C[C@@H]3CCOC3)CC2)cc1	1336117950	RKOGVEKKYXOZIJ-HNNXBMFYSA-N	289.423	1.859	10	20	CDCD	
C[C@@H]1[C@@H](C(=O)NCc2ccc(O)c(O)c2)C1(F)F	1346448664	CIFYPPRMRJEIOE-LDWIPMOCSA-N	257.236	1.615	10	20	CDCD	
CN[C@@H](C)CCN[C@@H](C)c1cc(C(=O)OC)ccc1O	1261424577	XYBLHXLNGXNJPO-QWRGUYRKSA-N	280.368	1.827	10	20	CDCD	
C[C@H]1C[C@@H](C(=O)NCc2cccc(O)c2O)CCO1	1350300199	NVKQOADMBYYVRS-UWVGGRQHSA-N	265.309	1.529	10	20	CDCD	
Cn1ncc(C2CC2)c1C(=O)NCc1cccc(O)c1O	1350300610	UYHPAYMIOJAQIC-UHFFFAOYSA-N	287.319	1.639	10	20	CDCD	
CC1=C(C(=O)NCc2cccc(O)c2O)CCCO1	1521851370	LQDUQPITJWNMQV-UHFFFAOYSA-N	263.293	1.798	10	20	CDCD	
CCO[C@@H]1C[C@H]1C(=O)NCc1cccc(O)c1O	1520510112	WQEMEXHWTMTONI-MWLCHTKSSA-N	251.282	1.139	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H](CC2CC2)C(=O)O)c(O)c1O	1607729750	BRKYFOZECUFLQU-JTQLQIEISA-N	279.292	1.389	10	20	CDCD	
C[C@H](NC[C@@H]1C[C@@]2(CCNC2)CO1)c1ccccc1O	1579485819	RPRQEQMYFBZSBV-HEHGZKQESA-N	276.380	1.811	10	20	CDCD	
COc1ccc(N2CCC(N[C@H]3C[C@H](N)C3)CC2)cc1	1579225765	VONKIIRYWKIMLL-MQMHXKEQSA-N	275.396	1.743	10	20	CDCD	
CC(C)(CO)N1CCN(Cc2ccc(N)cc2)CC1	1575338102	LCZKECYAKCVOEI-UHFFFAOYSA-N	263.385	1.157	10	20	CDCD	
C[C@@H](N[C@@H]1CC12CC2)c1cccc(-c2nn[nH]n2)c1O	1589954692	INJPDAVAGZHMTG-LDYMZIIASA-N	271.324	1.775	10	20	CDCD	
C[C@@H](NCC1(CO)CC1)c1cc(C(=O)O)ccc1O	1593248723	LIWKDAGBMVCXDL-SECBINFHSA-N	265.309	1.514	10	20	CDCD	
COc1ccc(O)c(CN=c2cc[nH]c(C(=O)O)c2)c1	1777367686	LLGYGDUTKGKCEQ-UHFFFAOYSA-N	274.276	1.528	10	20	CDCD	
C[C@H]1C[C@@H](C(=O)NCCc2ccc(N)cc2)CCO1	818545154	MCPOOWUOZOTRST-AAEUAGOBSA-N	262.353	1.743	10	20	CDCD	
CCS(=O)(=O)CCNCc1cc(F)ccc1O	226590858	UGXBZEQYUPSOPZ-UHFFFAOYSA-N	261.318	1.056	10	20	CDCD	
O=C(Nc1ccc(CCO)cc1)c1cccc(O)c1O	126277902	DZWGQAIKKYCTBZ-UHFFFAOYSA-N	273.288	1.885	10	20	CDCD	
CC[C@H]1NCC[C@@H]1C(=O)N(C)Cc1ccccc1O	289744196	VZDKFFYQPKITTE-QWHCGFSZSA-N	262.353	1.739	10	20	CDCD	
Cc1ccc(O)c([C@H](C)NCC(=O)NCC2CC2)c1	186505181	VJPAQAHCGYHZNC-NSHDSACASA-N	262.353	1.877	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2C[C@@H](C)[C@H](CO)C2)c1O	190849362	MQZMVPYTHRVGKO-SKDRFNHKSA-N	281.327	1.794	10	20	CDCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2NC[C@@H](O)CN(C)C	717394603	JVLZWBOYEPVAHY-JHJVBQTASA-N	278.396	1.761	10	20	CDCD	
CN(CCN(C)C1CC1)C(=O)Nc1ccc(N)cc1	841296698	XIDJCTOIEBJDPJ-UHFFFAOYSA-N	262.357	1.827	10	20	CDCD	
CC(C)[C@@H](C(=O)NCc1ccc(N(C)C)cc1)N(C)C	106426901	ZQKQUVIYJKLYOT-HNNXBMFYSA-N	277.412	1.955	10	20	CDCD	
C[C@H](C(=O)NCc1ccc2c(c1)CCCN2C)n1cncn1	69950783	ZSKMJHZAVWXEDL-GFCCVEGCSA-N	299.378	1.538	10	20	CDCD	
CC(C)CCC(=O)NCC(=O)NCc1ccccc1O	67157945	SOXMKOZNCZKVLQ-UHFFFAOYSA-N	278.352	1.561	10	20	CDCD	
O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1cccc(O)c1O	186752690	HHRGHMNTFOQNAG-UHFFFAOYSA-N	285.259	1.520	10	20	CDCD	
O[C@H](CNCc1ccc2c(c1)CCO2)C(F)(F)F	219438248	NBAKZHQUWANCFS-LLVKDONJSA-N	261.243	1.634	10	20	CDCD	
CCN1CC(=O)N[C@H]1c1cc(Cl)cc(OC)c1O	189870723	YAYXCOPPELLARP-GFCCVEGCSA-N	270.716	1.505	10	20	CDCD	
CCOc1ccc(O)c([C@@H]2NC(=O)CN2CC(C)C)c1	77474355	YHKDEZXUIIHJBQ-OAHLLOKOSA-N	278.352	1.877	10	20	CDCD	
COCCOCCNCc1cc(Cl)ccc1O	44693661	HEJCZWKBBMCRFC-UHFFFAOYSA-N	259.733	1.798	10	20	CDCD	
NCCCNC(=O)/C=C/c1ccc(N2CCOCC2)cc1	237791138	RMNLBOHWKGNUIE-QPJJXVBHSA-N	289.379	1.001	10	20	CDCD	
CN(C)C(=O)O[C@H]1CCN(Cc2cc(F)ccc2O)C1	295162707	SJUIEIVWDPYURX-LBPRGKRZSA-N	282.315	1.804	10	20	CDCD	
CS(=O)(=O)N1CCC[C@H](CSc2nccs2)C1	267181691	XLIAJMJGTMZTQZ-VIFPVBQESA-N	292.451	1.907	10	20	CDCD	
Nc1ccc(NC(=O)CNC(=O)NC2CCCCC2)cc1	269105105	BFPAVAOKXKTDNY-UHFFFAOYSA-N	290.367	1.839	10	20	CDCD	
C[C@H](NC(=O)N(C)Cc1ccccc1O)[C@@H]1CCOC1	266734473	DHBVLMBDNIGEME-WCQYABFASA-N	278.352	1.959	10	20	CDCD	
Cc1ccc(C(=O)NCCOCC2CC2)c(O)c1O	272708403	CCQAMJJNBJSKFJ-UHFFFAOYSA-N	265.309	1.563	10	20	CDCD	
Cc1cccc(CN2CCc3n[nH]c(=O)cc3C2)c1O	274954308	SSCCSXXTWUAJQU-UHFFFAOYSA-N	271.320	1.342	10	20	CDCD	
CCOCCOC1CN(Cc2ccc(N(C)C)cc2)C1	272380076	DQTITLQZXNHARQ-UHFFFAOYSA-N	278.396	1.990	10	20	CDCD	
CN(C)c1ccc([C@@H]2NC(=O)[C@@H]3CSCCN32)cc1	270795183	MPVPCRHKUSDYKO-QWHCGFSZSA-N	277.393	1.298	10	20	CDCD	
CC[C@@H]1NC(=O)N(Cc2ccc3c(c2)CCCN3C)C1=O	272525732	WDBJYKQORWJGNM-ZDUSSCGKSA-N	287.363	1.899	10	20	CDCD	
CN(C)c1ncc(CN(C)c2ccc3c(c2)OCO3)cn1	272544288	PSXXQUXTNOMTID-UHFFFAOYSA-N	286.335	1.908	10	20	CDCD	
COc1ccc(O)c(CN2CCC[C@@H](CO)CC2)c1	294002749	MIDVPHPGSGNUNK-GFCCVEGCSA-N	265.353	1.995	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N(C)C1CC1	298220522	IGPJPDPOKPDPFW-UHFFFAOYSA-N	289.379	1.332	10	20	CDCD	
O=C(c1c(F)ccc(O)c1O)N1CCC=C(F)C1	297356837	BTRCMRWPPDIHRN-UHFFFAOYSA-N	255.220	1.936	10	20	CDCD	
CN1CC[C@H](NCc2cc(Cl)c(F)cc2O)C1	816548826	UMELMSHVPSCHSQ-VIFPVBQESA-N	258.724	1.978	10	20	CDCD	
NC(=O)Cc1ccc(CNC(=O)c2cc(O)cs2)cc1	811584909	BKRYSRIBCPUQOP-UHFFFAOYSA-N	290.344	1.412	10	20	CDCD	
OCCOCCNCc1ccc2ccccc2c1O	816529425	RZKIEBDBTGGJNX-UHFFFAOYSA-N	261.321	1.644	10	20	CDCD	
Cc1cc(C)c([C@H](C)NCc2cn(C)nn2)c(O)c1	815615403	PAZMGIFNDYGRLS-NSHDSACASA-N	260.341	1.988	10	20	CDCD	
COC[C@@H](C)OC[C@H](O)CNCc1ccc2c(c1)CCO2	818997172	UANZQBZAUQBLKO-IUODEOHRSA-N	295.379	1.124	10	20	CDCD	
COCc1ncsc1C(=O)NCCc1ccc(N)cc1	818544730	JOHPWVHIUZVQOO-UHFFFAOYSA-N	291.376	1.844	10	20	CDCD	
OCCOCCN(Cc1ccccc1O)C1CCC1	827210948	UPMIFEAKALPVBD-UHFFFAOYSA-N	265.353	1.756	10	20	CDCD	
O=C(c1c(F)ccc(O)c1O)N1CC[C@H]([C@@H]2CCOC2)C1	827209442	ZQTNHIQFIRMUOK-VHSXEESVSA-N	295.310	1.736	10	20	CDCD	
CCn1ccc(NC(=O)NCc2cc(OC)ccc2O)n1	824927345	LZPIUCJVCQQONO-UHFFFAOYSA-N	290.323	1.939	10	20	CDCD	
O=C1CCC[C@H]1[C@H]1COCCN1C(=O)c1cc(O)cs1	831940819	LSXFAJUJFFMTPZ-WDEREUQCSA-N	295.360	1.664	10	20	CDCD	
CN(C)c1ccc(CNC(=O)Cc2cnc[nH]2)cc1F	900433959	HRQYPBZMNKHWHO-UHFFFAOYSA-N	276.315	1.474	10	20	CDCD	
COc1cccc(CNC(=O)N[C@@H](C)C[C@H](C)N)c1O	831212894	XVUCLDGRKXQTHB-UWVGGRQHSA-N	281.356	1.326	10	20	CDCD	
CN(C)[C@H]1CCCN(C(=O)Cc2ccc(N)cc2)CC1	831953039	SONFFPFMNKTFGU-HNNXBMFYSA-N	275.396	1.754	10	20	CDCD	
C[C@@H](N[C@@H]1COC[C@H]1O)c1cccc(C(F)(F)F)c1O	834897907	XFNIARFJYCVWQH-AVPPRXQKSA-N	291.269	1.821	10	20	CDCD	
NC(=O)CN(Cc1ccccc1)C(=O)c1cc(O)cs1	732831630	XRAOJCAEZQYUMT-UHFFFAOYSA-N	290.344	1.581	10	20	CDCD	
Cc1cc(CN2CCOC[C@@H]2CC(N)=O)ccc1N(C)C	832751173	OERWUMKHNIQPNQ-AWEZNQCLSA-N	291.395	1.137	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN(C)CCNC(=O)N(C)C	840936584	LXPSXXXNPYCMND-UHFFFAOYSA-N	292.427	1.764	10	20	CDCD	
CCOc1ccc(O)c(CN2CCC(CN)CC2)c1	843047300	KNXWLIUVRPPFLM-UHFFFAOYSA-N	264.369	1.962	10	20	CDCD	
COc1cc(Cl)cc(CNC[C@H](C)C(=O)O)c1O	848639338	HWVRKZGUSVVQQG-ZETCQYMHSA-N	273.716	1.865	10	20	CDCD	
CO[C@H](C)CC(=O)NCc1ccc(N2CCOCC2)cc1	749575877	GMPCXYZHGOOWPV-CYBMUJFWSA-N	292.379	1.564	10	20	CDCD	
CCN[C@H](C)CNC(=O)N(C)Cc1ccc(N(C)C)cc1	841984509	KRZCLAGECLPVNW-CYBMUJFWSA-N	292.427	1.892	10	20	CDCD	
COC(=O)[C@H](CC1CC1)NCc1cc(F)ccc1O	840956839	FQVMVPORTGSIRM-LBPRGKRZSA-N	267.300	1.963	10	20	CDCD	
CNC(=O)C[C@H](C)N[C@@H](C)c1cccc(OC)c1O	846167674	ASBVLCNNHZDVKS-UWVGGRQHSA-N	266.341	1.576	10	20	CDCD	
Cc1cc(O)c(CN2CC(N3CC[C@@H](O)C3)C2)cc1C	846067452	FBZNTGJJLPESPP-OAHLLOKOSA-N	276.380	1.260	10	20	CDCD	
CCCN1CC(=O)N[C@H]1c1cc(OC)ccc1O	840822446	NPUBBIANIKAVML-CYBMUJFWSA-N	250.298	1.241	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)NC1CCNCC1	841828112	RDSDZRQPIUODQT-UHFFFAOYSA-N	290.411	1.612	10	20	CDCD	
Cc1ccc(O)c(CNCc2nc([C@H]3CCCO3)n[nH]2)c1	848563428	VDXIRUJNJXULRI-CYBMUJFWSA-N	288.351	1.960	10	20	CDCD	
Nc1ccc(CCNC(=O)NC2(CO)CCCC2)cc1	841960662	UVJOMQPSSKPNAP-UHFFFAOYSA-N	277.368	1.416	10	20	CDCD	
COc1ccc(N2CCN(c3ncnn3C)CC2)cc1	853085340	LVEUZFZSTQRMDR-UHFFFAOYSA-N	273.340	1.150	10	20	CDCD	
C[C@@H](NC[C@H](O)COCC1CC1)c1cc(F)ccc1O	756511987	UKFBWYLWHJMVCY-MFKMUULPSA-N	283.343	1.969	10	20	CDCD	
CCCN1CC[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2)C1	856073272	MSRMOGKMQSAQTB-BPJJOFIESA-N	290.363	1.712	10	20	CDCD	
CCCN1CC[C@@H](NC(=O)NCc2ccccc2O)C1	852632023	OHKXXMNZNFENTA-CYBMUJFWSA-N	277.368	1.676	10	20	CDCD	
Cc1ccc(C(=O)O[C@H](C)C(=O)NCC(C)C)c(O)c1O	750621891	LWARJIFNQJNPEZ-SNVBAGLBSA-N	295.335	1.724	10	20	CDCD	
O=C1CN(Cc2ccc(N3CCCCC3)cc2)CCCN1	769107151	KCAPCRGSKXMIJO-UHFFFAOYSA-N	287.407	1.999	10	20	CDCD	
COC[C@](C)(NCc1ccc(OC)c(C)c1)C(=O)OC	930154313	CAOMEDVDNHTHAP-HNNXBMFYSA-N	281.352	1.671	10	20	CDCD	
CC(=O)NCCN(C)Cc1cc(F)c(N(C)C)cc1F	862399918	HGFULFRORDIGTE-UHFFFAOYSA-N	285.338	1.599	10	20	CDCD	
CN(CCn1ccc([N+](=O)[O-])n1)c1ccc(N)cc1	863557982	YRCQBONJMLKHAD-UHFFFAOYSA-N	261.285	1.510	10	20	CDCD	
Cc1ccc(CN[C@@H]2CCc3nc(C)nn3C2)c(O)c1	877002913	GFKVHLDEZSLSLN-CYBMUJFWSA-N	272.352	1.705	10	20	CDCD	
CC(=O)N[C@H](C)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	773011246	DXIJJUSQWKUBMI-GHMZBOCLSA-N	277.368	1.454	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2CC[C@@H](C)[C@@H]2CO)c1O	775108864	OUZGPUISIMPLGS-SKDRFNHKSA-N	296.323	1.512	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNc1cc(C(N)=O)ncn1	881988398	WYXPQQBBLYHIBF-UHFFFAOYSA-N	285.351	1.562	10	20	CDCD	
Cn1ncc2c1CCC[C@@H]2NC(=O)NCc1ccc(N)cc1	1120482043	VFACKIFYKPIIOU-AWEZNQCLSA-N	299.378	1.879	10	20	CDCD	
O=C(COC(=O)[C@H]1CCC=CO1)c1ccc(O)c(O)c1	787033083	JKLZRPUZNHSVOP-CYBMUJFWSA-N	278.260	1.516	10	20	CDCD	
COc1ccc(O)c(CNC(=O)NC/C=C/Cl)c1	892985542	MSOBIMGNBJDNFP-GORDUTHDSA-N	270.716	1.953	10	20	CDCD	
COc1cc(C)cc(CN2CCC[C@@H]2CO)c1O	893921615	NPOAMXGHQWNQEC-GFCCVEGCSA-N	251.326	1.666	10	20	CDCD	
CCN(CC(=O)OC)Cc1cc(F)cc(F)c1O	893997994	AJUWCBZTFVCKJU-UHFFFAOYSA-N	259.252	1.665	10	20	CDCD	
COc1cc(C)cc(CNC[C@H]2CC[C@H](O)C2)c1O	894541527	RRCHUNLQPGKVHJ-AAEUAGOBSA-N	265.353	1.960	10	20	CDCD	
COC[C@H](CNCc1c(O)ccc(Cl)c1F)OC	790989293	KXWSCDSWVFSSJN-QMMMGPOBSA-N	277.723	1.936	10	20	CDCD	
COc1ccc(CNC(=O)c2cncc(O)c2)c(O)c1	796350483	NSXBCHVDCCVMIU-UHFFFAOYSA-N	274.276	1.431	10	20	CDCD	
Cc1cc(C(N)=O)ccc1NC(=O)c1cccc(O)c1O	790535325	HBJSFZVSIJLGEQ-UHFFFAOYSA-N	286.287	1.757	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N1CC[C@@](O)(C2CC2)C1	1320933914	XFPAMIFFCXJFKY-SKKUGFDVSA-N	289.331	1.484	10	20	CDCD	
C[C@H]1C[C@@H](NC(=O)NCc2ccc(N)cc2)CCN1C	1338731337	GTVDRNTVJDWDAL-FZMZJTMJSA-N	276.384	1.551	10	20	CDCD	
Cn1cc(N2CC[C@H](N[C@H]3CCc4cccc(O)c43)C2)cn1	1261276324	DSGAJOAWCHRJFS-ZFWWWQNUSA-N	298.390	1.982	10	20	CDCD	
COc1nc(Cl)c(CNCCc2ccc(N)cc2)n1C	1261370194	BPEYPOVXUNZURF-UHFFFAOYSA-N	294.786	1.997	10	20	CDCD	
Cc1cn(C(C)(C)C(=O)NCc2cccc(O)c2O)cn1	1352672695	WZHPJYRKBIHLHD-UHFFFAOYSA-N	289.335	1.654	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@H]2C[C@H]2F)c1	1519817722	ODIHNLZSGXVTTQ-BKDNQFJXSA-N	253.273	1.936	10	20	CDCD	
CC[C@@H](NCCn1cc(C(=O)O)nn1)c1ccccc1O	1595298151	AYBKIRBACIVYCZ-LLVKDONJSA-N	290.323	1.423	10	20	CDCD	
Cc1cc(-c2nn[nH]n2)cc(N2Cc3cccc(O)c3C2)n1	1591854332	CHERONKGXLPKAZ-UHFFFAOYSA-N	294.318	1.796	10	20	CDCD	
COc1cc(C)c(CN(C)C[C@@H](C)C(=O)O)c(O)c1	1599390641	HQQNWCXZPDRGOH-SNVBAGLBSA-N	267.325	1.862	10	20	CDCD	
C[C@H](NCCc1cn[nH]c1)c1cc(C(=O)O)ccc1O	1593276126	WXXPNXLEUNFTMT-VIFPVBQESA-N	275.308	1.707	10	20	CDCD	
COC[C@@](C)(CC(=O)O)NCc1cc(F)cc(F)c1O	1777178127	SELZHUUMGUHRQF-CYBMUJFWSA-N	289.278	1.640	10	20	CDCD	
C[C@H]1CC(=O)CC[C@@H]1C(=O)NCCc1ccc(O)c(O)c1	159827888	RYVRBVCWFWYCOM-GWCFXTLKSA-N	291.347	1.762	10	20	CDCD	
C[C@@H](NC(=O)[C@H]1CC(=O)N(C)C1)c1ccccc1O	827923289	NZXALKUWXACGGH-ZJUUUORDSA-N	262.309	1.048	10	20	CDCD	
Cc1cc(C)n(CC(=O)NCc2ccc(N)cc2)n1	159396032	KCFQGRXPILOIID-UHFFFAOYSA-N	258.325	1.399	10	20	CDCD	
Oc1cc2c(cc1CNC[C@H](O)C1CCC1)OCO2	315984878	BMMKELMUJQCODY-LBPRGKRZSA-N	265.309	1.372	10	20	CDCD	
CC(C)[C@H](C(=O)N(C)Cc1ccccc1O)[C@@H](C)N	399618733	YJJUDVJCUSYODX-RISCZKNCSA-N	264.369	1.970	10	20	CDCD	
COc1cccc(CN[C@@H](CCO)C(F)(F)F)c1O	886371790	UMMJOYPNWWUMJV-JTQLQIEISA-N	279.258	1.804	10	20	CDCD	
COC(=O)C[C@H]1CSCCN1Cc1ccccc1O	179578868	LMQNORYLFRIONK-LBPRGKRZSA-N	281.377	1.873	10	20	CDCD	
COc1cccc(CNc2ncc([N+](=O)[O-])cn2)c1O	302163291	QEDSVLDFIIIFSP-UHFFFAOYSA-N	276.252	1.711	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H]2CCCO2)c1	171409047	ZAHOHABRPVWIPQ-PWSUYJOCSA-N	294.351	1.940	10	20	CDCD	
CCCNC(=O)CNC(=O)NCc1ccc(N(C)C)cc1	31727265	ZHDPHCFWESRZST-UHFFFAOYSA-N	292.383	1.078	10	20	CDCD	
COC[C@H](O)CNCc1cccc(Br)c1O	70589448	SEDPTJIINYNOCT-SECBINFHSA-N	290.157	1.252	10	20	CDCD	
COc1ccc(O)c(CNC(=O)Nc2ccon2)c1	183609148	LISUMBDHGOPSKJ-UHFFFAOYSA-N	263.253	1.711	10	20	CDCD	
CCOC(=O)N1CC[C@@H](NCc2cc(OC)ccc2O)C1	186475278	JTCGLAMBAIVJHQ-GFCCVEGCSA-N	294.351	1.721	10	20	CDCD	
CCN(CC)[C@H]1CCN(C(=O)c2ccc(C)c(O)c2O)C1	182527583	MGDQXMDOYJOZQE-LBPRGKRZSA-N	292.379	1.963	10	20	CDCD	
CSC[C@@H](O)CN(C)c1ccc2c(c1)OCO2	188146991	QZIUPWPLAFMEFY-JTQLQIEISA-N	255.339	1.575	10	20	CDCD	
CN(Cc1ccc(N2CCOCC2)cc1)c1ncccn1	70793209	ZQVFEYVMMJCBRL-UHFFFAOYSA-N	284.363	1.950	10	20	CDCD	
Nc1ccc(CC(=O)NCCCOC[C@H]2CCOC2)cc1	238111927	KNKGQZVULLUIMZ-CQSZACIVSA-N	292.379	1.371	10	20	CDCD	
COCCC(=O)NCc1ccc(N(C)C)c(F)c1	263923487	QSNFYYLJRITHFM-UHFFFAOYSA-N	254.305	1.544	10	20	CDCD	
CC(C)OC[C@H]1CN(C(=O)c2cccc(O)c2O)CCO1	369130115	KWXVLKIZWNFXLF-LLVKDONJSA-N	295.335	1.364	10	20	CDCD	
COC(=O)C[C@@H]1COCCN1Cc1cccc(C)c1O	377826800	PVNCEVGUFZNXTP-CYBMUJFWSA-N	279.336	1.465	10	20	CDCD	
C[C@H]1CCN(C(=O)Cc2ccc(N)cc2)C[C@@H]1CN	841857772	XMKUIMGQSTUBFJ-AAEUAGOBSA-N	261.369	1.255	10	20	CDCD	
C[C@H]1CC(=O)NCCN1Cc1ccc(N(C)C)cc1	373237194	OPZJMPQWXCIMFU-LBPRGKRZSA-N	261.369	1.463	10	20	CDCD	
Oc1cc2c(cc1CN1CCOC[C@@]13CCOC3)OCO2	282445786	UTMHNZASHAJPQO-HNNXBMFYSA-N	293.319	1.112	10	20	CDCD	
Cc1cc(O)c(CN2CCN(C[C@H](C)O)C[C@H]2C)cc1C	284250547	FPLDKKFJOUEBHX-CABCVRRESA-N	292.423	1.896	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N[C@H]2C[C@@H](O)C2)cc1F	297381614	WKOCKSVPNYHDKM-PHIMTYICSA-N	281.331	1.214	10	20	CDCD	
Cc1ccc(C(=O)N2CC[C@@]3(CCN(C)C3)C2)c(O)c1O	293841314	IZVIEKPWCPHPOT-MRXNPFEDSA-N	290.363	1.574	10	20	CDCD	
CN(C)c1ccc(CN2CCCN(C=O)CC2)cc1	298198629	XRBXKIYJDFCEEO-UHFFFAOYSA-N	261.369	1.417	10	20	CDCD	
C[C@@](O)(C(=O)NCCCSc1nccs1)C1CC1	804372026	LTVUGFUEFMLOAV-LBPRGKRZSA-N	286.422	1.903	10	20	CDCD	
COC(=O)c1cnc(SCC[C@H]2CCOC2=O)s1	294927074	CTTFOBJDECJTPB-SSDOTTSWSA-N	287.362	1.975	10	20	CDCD	
C[C@@H](NCCCN1CCNCC1)c1cc(F)cc(F)c1O	817934995	DROVNFVGOQZVJS-LLVKDONJSA-N	299.365	1.616	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@H]2CCCNCC2)c1	817969586	XVNCDPZIMIPTTI-AAEUAGOBSA-N	292.379	1.972	10	20	CDCD	
CCO[C@@H]1COC[C@H]1NCc1cc(C)c(C)cc1O	825196439	GRTWYZORELIRTO-UKRRQHHQSA-N	265.353	1.903	10	20	CDCD	
CN(CCS(C)(=O)=O)Cc1c(O)ccc2ccncc12	728046841	NYHHCCHVLAWNHB-UHFFFAOYSA-N	294.376	1.417	10	20	CDCD	
COC(=O)c1n[nH]c2c1CN(Cc1ccccc1O)CC2	825017879	ZHTRMECOGBLSDI-UHFFFAOYSA-N	287.319	1.460	10	20	CDCD	
CC(C)N1CC(NC(=O)/C=C/c2ccc(O)c(O)c2)C1	837544798	UQGBARWVRHMLDY-GQCTYLIASA-N	276.336	1.320	10	20	CDCD	
O=C(O)[C@H](NCc1ccc2c(c1)CCO2)c1cccnc1	833170587	YUMCVUQWIDSCFL-OAHLLOKOSA-N	284.315	1.932	10	20	CDCD	
CC[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)[C@H](C)O	836862974	PESYLTUVNFBIKA-JTAJDHSHSA-N	265.309	1.387	10	20	CDCD	
COc1ccc(O)c(CN2CC[C@@](F)(C(=O)O)C2)c1	833733634	LXXMOOWLXGFEAP-ZDUSSCGKSA-N	269.272	1.399	10	20	CDCD	
CN(C)c1ccc([C@@H](N)CNC(=O)C[C@H]2CCOC2)cc1	832273351	NPOCTBLQTGRZMS-DOMZBBRYSA-N	291.395	1.295	10	20	CDCD	
CCOCCCOC(=O)c1ccc(C)c(O)c1O	744910128	NVOIOFMJTUIDSK-UHFFFAOYSA-N	254.282	1.990	10	20	CDCD	
Nc1ccc(CCNC(=O)[C@@H]2C[C@@H]3CC[C@H]2N3)cc1	911783273	SVTOWQORJJYQOJ-BFHYXJOUSA-N	259.353	1.068	10	20	CDCD	
C[C@@H]1NCCC[C@@H]1NCc1ccc(N2CCOCC2)cc1	841063978	CYTJNBLIKSPARU-YOEHRIQHSA-N	289.423	1.753	10	20	CDCD	
COc1cc(C)cc(CN2CCC[C@H](C(N)=O)C2)c1O	915830592	RKBWWEKNNJQJGO-NSHDSACASA-N	278.352	1.407	10	20	CDCD	
COC(=O)[C@H]1C[C@H](O)CN(Cc2cc(C)c(C)cc2O)C1	843433833	DZSRJBXOVYCMKW-KBPBESRZSA-N	293.363	1.365	10	20	CDCD	
C[C@@H](NC(=O)NC1CCNCC1)c1ccc(N(C)C)cc1	841882033	GUUFEEIGJBPCBA-GFCCVEGCSA-N	290.411	1.865	10	20	CDCD	
Nc1ccc(NC(=O)C(=O)N2CCC[C@@H]3CCC[C@H]32)cc1	841052608	VBPMVJFONULKOS-SMDDNHRTSA-N	287.363	1.998	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NC[C@@H]2CCCN2)cc1	841653219	IDIOUMDWLUNMFZ-ZDUSSCGKSA-N	276.384	1.304	10	20	CDCD	
COc1cccc(CN[C@@H](CCN)C(F)(F)F)c1O	841090837	NLPZSQNRRHLCIB-JTQLQIEISA-N	278.274	1.770	10	20	CDCD	
C[C@@H](CN)NC(=O)NCCCSc1nccs1	841855546	AXTNBDGAFWOXPH-QMMMGPOBSA-N	274.415	1.272	10	20	CDCD	
Cc1nonc1CC(=O)NCc1ccc(N(C)C)c(F)c1	845334789	IEYRCFBVPXSKSP-UHFFFAOYSA-N	292.314	1.442	10	20	CDCD	
CC(=O)c1cc(O)ccc1NS(=O)(=O)c1cnc[nH]1	758775338	WDODHZQKMXBUCT-UHFFFAOYSA-N	281.293	1.119	10	20	CDCD	
C[C@H](Cn1cncn1)NCCCSc1nccs1	850437490	QCRKJGTVUAOSDZ-SNVBAGLBSA-N	283.426	1.895	10	20	CDCD	
O=C(NCCC1CSC1)c1cccc(O)c1O	854977614	GIRFMNFDDZYRSF-UHFFFAOYSA-N	253.323	1.581	10	20	CDCD	
CN(Cc1cc(Cl)ccc1O)[C@@]1(CO)CCOC1	862426810	PLLQWAIFJWXOFH-CYBMUJFWSA-N	271.744	1.629	10	20	CDCD	
CS[C@H]1CN(C(=O)c2cc(O)cs2)C[C@@H]1N(C)C	765273777	XOVOIZOMSDJQKB-ONGXEEELSA-N	286.422	1.571	10	20	CDCD	
CC(=O)NCC(C)(C)C(=O)NCc1cc(C)ccc1O	862755045	NRSBLDMMQPJCKM-UHFFFAOYSA-N	278.352	1.479	10	20	CDCD	
C[C@@H]1C(=O)N(CCCSc2nccs2)C(=O)N1C	761300924	SULWINOREKIAFU-MRVPVSSYSA-N	285.394	1.908	10	20	CDCD	
O=C(OC[C@@H]1CC2(CC2)C(=O)O1)c1cc(O)cs1	763199000	SYFVFKJJHGXLHD-QMMMGPOBSA-N	268.290	1.706	10	20	CDCD	
CCn1cc(CC(=O)NCCc2ccc(N)cc2)cn1	876528710	WPCVNWSEHJXAAX-UHFFFAOYSA-N	272.352	1.387	10	20	CDCD	
C[C@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)N(C)C	873860748	WXXVUDLGDLFTPG-GFCCVEGCSA-N	263.385	1.661	10	20	CDCD	
Cc1nccnc1CN(C)c1ccc(OCC(=O)O)cc1	872161193	UINVBPXGEWVBAP-UHFFFAOYSA-N	287.319	1.885	10	20	CDCD	
Cc1ccc(CN[C@H](C)C(=O)NCCF)c(O)c1	877500448	UTTBFERHOZNUNN-SNVBAGLBSA-N	254.305	1.264	10	20	CDCD	
Cc1ccc(O)c(CNC[C@](C)(O)C(=O)OC(C)(C)C)c1	776520972	RKXGOENYMHIRBW-INIZCTEOSA-N	295.379	1.883	10	20	CDCD	
Cc1ccc(S(=O)(=O)NCc2ccccc2O)cn1	774888186	UEIWWIUPHJJYQD-UHFFFAOYSA-N	278.333	1.574	10	20	CDCD	
COc1ccc(O)c(CNC(=O)N[C@H]2CCO[C@@H](C)C2)c1	770271234	FKMBWYXNOMLIGO-JQWIXIFHSA-N	294.351	1.768	10	20	CDCD	
CNS(=O)(=O)c1ccc(NCc2ccccc2O)nc1	774524037	MUWKKWNBZCYUSV-UHFFFAOYSA-N	293.348	1.307	10	20	CDCD	
CN(C)c1ccc(CNS(=O)(=O)C2CCC2)cc1	881760068	AAKQJEXFJPPLGA-UHFFFAOYSA-N	268.382	1.725	10	20	CDCD	
CCN(CC)S(=O)(=O)N[C@H](C)c1ccc(N(C)C)cc1	773087725	JPIZEESOTRPEMN-GFCCVEGCSA-N	299.440	1.990	10	20	CDCD	
CON(C)C(=O)[C@@H](C)N[C@@H](C)c1c(O)cccc1F	886644828	LNOCEYWDLXIVHH-DTWKUNHWSA-N	270.304	1.590	10	20	CDCD	
C[C@H](O)C(=O)NCc1ccc(N2CCCCC2)cc1	786840495	DKMXXTYJYRFXQB-LBPRGKRZSA-N	262.353	1.674	10	20	CDCD	
COC(=O)CCC(=O)COC(=O)c1cc(O)cs1	783607892	MAMHYKNMPFKWES-UHFFFAOYSA-N	272.278	1.133	10	20	CDCD	
C[C@@H]1C[C@H](O)CN1C(=O)NCc1ccc(N(C)C)c(F)c1	788314206	SEOULGZOAWPMRZ-PWSUYJOCSA-N	295.358	1.556	10	20	CDCD	
COc1cc(O)c(CNC[C@@H]2CCN2C)cc1OC	896594318	IESKDDBSIDBLTQ-NSHDSACASA-N	266.341	1.203	10	20	CDCD	
CCn1ccc(C(=O)NCCc2ccc(N)cc2)n1	1330865350	ATNCUMRWHIMDQA-UHFFFAOYSA-N	258.325	1.458	10	20	CDCD	
COc1cccc(CNCCCn2cccn2)c1O	134491269	NUEXSRCNKJDSRL-UHFFFAOYSA-N	261.325	1.777	10	20	CDCD	
Cc1cc(N(C)Cc2ccccc2O)nc(CO)n1	1324350853	VGXUIHTVNUMSKH-UHFFFAOYSA-N	259.309	1.619	10	20	CDCD	
C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NCc1ccc(N)cc1	1335490563	HUSUNZRFIGSOHT-IAQYHMDHSA-N	288.395	1.551	10	20	CDCD	
CCCNC(=O)[C@H](C)NC(=O)/C=C/c1ccc(O)c(O)c1	1336705869	LLCXFCYBYRDYTJ-STUBTGCMSA-N	292.335	1.142	10	20	CDCD	
COc1cccc(O)c1CNC[C@]1(OC)CCOC1	763478112	AIEYHWGCGDOYTK-CQSZACIVSA-N	267.325	1.296	10	20	CDCD	
C[C@@H]1C[C@@H](NC(=O)NCc2ccc(N)cc2)c2nccn21	1335539260	PSAPOQSRVCOXQA-ZWNOBZJWSA-N	285.351	1.971	10	20	CDCD	
Nc1ccc(CNC(=O)N2CC[C@@H](n3cncn3)C2)cc1	1262603281	DIADAUAZODDPSX-CYBMUJFWSA-N	286.339	1.017	10	20	CDCD	
CC1CC(NC(=O)C(=O)N(C)Cc2ccccc2O)C1	1260073490	QEUZZLYDNNEUBB-UHFFFAOYSA-N	276.336	1.265	10	20	CDCD	
C[C@H]1C(=O)CC[C@@H]1CC(=O)NCc1cccc(O)c1O	1348046005	GQIHTEJIRDUEBD-NXEZZACHSA-N	277.320	1.719	10	20	CDCD	
CC(C)CNC(=O)CN[C@@H](C)c1cc(C(=O)O)ccc1O	1603817403	YLPJILOXZAMXBS-JTQLQIEISA-N	294.351	1.513	10	20	CDCD	
CC(C)(C(=O)O)n1cc(NC(=O)c2cc(O)cs2)cn1	1603286000	CYSACUNPTILNEM-UHFFFAOYSA-N	295.320	1.722	10	20	CDCD	
O=C(O)/C=C\c1ccc(N2CC(CO)C2)c([N+](=O)[O-])c1	1610750356	GSJZRRHTCPTUNS-RQOWECAXSA-N	278.264	1.121	10	20	CDCD	
Cc1cc(C(=O)OCC(=O)O)c(C)n1-c1ccccn1	1594288849	CALCOLHWKBDCKF-UHFFFAOYSA-N	274.276	1.731	10	20	CDCD	
c1cc(Sc2nccs2)c(-c2nn[nH]n2)cn1	1593563000	VNFNMVRGVPRUSO-UHFFFAOYSA-N	262.323	1.869	10	20	CDCD	
CN(C[C@H]1CCCO1)c1ccc(OCC(=O)O)cc1	1777052907	HRDFWKNHSLWTQR-CYBMUJFWSA-N	265.309	1.765	10	20	CDCD	
COc1cccc(O)c1CN1C[C@H]2[C@@H](N)CCC[C@H]2C1	843059006	BZOKWDWYVDYOCO-SCRDCRAPSA-N	276.380	1.960	10	20	CDCD	
CCN1C[C@H](NCc2c(O)cccc2OC)CC1=O	824887030	ORPHOVQFSFOYNV-SNVBAGLBSA-N	264.325	1.111	10	20	CDCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2NCCS(C)(=O)=O	37740555	GSCDFOMLJNAJLA-GHMZBOCLSA-N	283.393	1.883	10	20	CDCD	
COc1ccc(N2CCN(CCC(C)(C)O)CC2)cc1	81675885	SDXMMSDNJCBLRE-UHFFFAOYSA-N	278.396	1.978	10	20	CDCD	
CO[C@H]1CCN(C(=O)c2cccc(O)c2O)[C@@H](C)C1	388217375	FWYPQUGIWDPGBW-UWVGGRQHSA-N	265.309	1.737	10	20	CDCD	
COC(=O)NCCC(=O)NCc1ccc(N(C)C)cc1C	115280570	RWXIFOPFVMHUDT-UHFFFAOYSA-N	293.367	1.423	10	20	CDCD	
CNC(=O)C1CCN(Cc2ccc(N(C)C)cc2)CC1	122524689	ZWOAFUZSKCXYCJ-UHFFFAOYSA-N	275.396	1.711	10	20	CDCD	
C[C@H](O)CN1CCN(Cc2cc(F)ccc2O)CC1	189860474	FBKXZBPYZCONDC-NSHDSACASA-N	268.332	1.030	10	20	CDCD	
C[C@]1(O)CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2O)C1	180188383	FYQYACKNZUDMQX-LBPRGKRZSA-N	286.715	1.911	10	20	CDCD	
OCCOCCCNCc1ccc(N2CCOCC2)cc1	227334465	RYUNQXSOHNOAQM-UHFFFAOYSA-N	294.395	1.012	10	20	CDCD	
CCOc1ccc(O)c(CN[C@@H](C)C(=O)N(C)C)c1	191734238	NDTLDQUZTMUCJW-JTQLQIEISA-N	266.341	1.357	10	20	CDCD	
CN(CCN1CCOCC1)Cc1cc(F)ccc1O	180059922	VQMBWABRBUCZGR-UHFFFAOYSA-N	268.332	1.295	10	20	CDCD	
COc1cc(O)c(CN[C@H](C)[C@@H]2CCOC2)cc1OC	271811172	KUBNBDIFRWDNJB-GHMZBOCLSA-N	281.352	1.924	10	20	CDCD	
CC(C)[C@@]1(CO)CCN(C(=O)c2cccc(O)c2O)C1	378059141	YAYSNLDUAJTZMH-HNNXBMFYSA-N	279.336	1.578	10	20	CDCD	
C[C@H](NC[C@@H](O)c1cnn(C)c1)c1ccccc1O	272879867	QJWLOSXRTNEXMX-IINYFYTJSA-N	261.325	1.510	10	20	CDCD	
CC(C)COC(=O)[C@H](C)NC(=O)c1cccc(O)c1O	279884260	RYMBHJXCRZCPPU-VIFPVBQESA-N	281.308	1.415	10	20	CDCD	
CCC[C@H](CCO)CNC(=O)c1c(F)ccc(O)c1O	295421411	VXXMSTPLFKDQCC-SECBINFHSA-N	285.315	1.765	10	20	CDCD	
CC(=O)C(=O)CS(=O)(=O)c1ccc(C(F)(F)F)cc1	808037784	ZKAKKLBJPGVCSE-UHFFFAOYSA-N	294.250	1.637	10	20	CDCD	
Cc1cc(CN2CCC(C(N)=O)CC2)ccc1N(C)C	293491462	NDFYRIZZSYJFMC-UHFFFAOYSA-N	275.396	1.758	10	20	CDCD	
COc1cc(N2CCC[C@H](O)CC2)c([N+](=O)[O-])cc1OC	293869255	ATPHPTCLZUHUJB-JTQLQIEISA-N	296.323	1.963	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2cc(C=O)c[nH]2)cc1F	815151458	OYKPRZREEBVXMW-UHFFFAOYSA-N	289.310	1.962	10	20	CDCD	
O=C(NCc1ccc(N2CCCC2)cc1)c1ncc[nH]1	821842691	NPPDSSJDMSGEJR-UHFFFAOYSA-N	270.336	1.940	10	20	CDCD	
O=C(NCc1ccccc1O)NOCC1CCC1	824043541	XPNOBTAHIGHGKZ-UHFFFAOYSA-N	250.298	1.923	10	20	CDCD	
CN1CCCc2cc(CNC(=O)[C@@H]3[C@H]4CCC(=O)[C@@H]43)ccc21	906456005	WXPLWFOTGCJDBX-IAOVAPTHSA-N	298.386	1.910	10	20	CDCD	
COC(=O)CC(=O)N[C@@H](C)c1ccc(N(C)C)cc1	907494269	XSAWYPKXEMRQAA-JTQLQIEISA-N	264.325	1.493	10	20	CDCD	
Cc1nccnc1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	831924077	CGDAKXQGUXSNQJ-VIFPVBQESA-N	287.319	1.557	10	20	CDCD	
CCN(CCC(=O)O)Cc1cc2c(cc1O)OCO2	737095687	AHTVOYYHPXAUJJ-UHFFFAOYSA-N	267.281	1.418	10	20	CDCD	
O=C(NCC[C@@H](O)C1CCCC1)c1cccc(O)c1O	831390777	VFPWARZTCGMCNR-GFCCVEGCSA-N	279.336	1.769	10	20	CDCD	
CN(C)c1ccc(CN[C@H](CO)[C@@H]2CCCOC2)cc1	839648742	DFLAXITWLZFKGM-GDBMZVCRSA-N	278.396	1.630	10	20	CDCD	
CN(C)c1ccc(CN[C@@H](Cc2ccncc2)C(=O)O)cc1	848640076	NGPWFECUIFQEQL-INIZCTEOSA-N	299.374	1.933	10	20	CDCD	
Cc1ccc(C(=O)O[C@@H]2CCN(C(C)C)C2=O)c(O)c1O	746971022	HACQUHVEDBARQP-LLVKDONJSA-N	293.319	1.572	10	20	CDCD	
COc1ccc(N(C)Cc2nc(O)c3cnn(C)c3n2)cc1	844352729	FDDORPHGCXDNEM-UHFFFAOYSA-N	299.334	1.714	10	20	CDCD	
CCOc1ccc(CN2CC[C@@H]([C@H](C)N)C2)c(O)c1	843056915	BUEIKXLDMCAQSZ-NWDGAFQWSA-N	264.369	1.960	10	20	CDCD	
COCCN(CCC(=O)O)Cc1ccc(N(C)C)c(C)c1	846270509	ZFEITXJONONXCI-UHFFFAOYSA-N	294.395	1.984	10	20	CDCD	
O=[N+]([O-])c1ccc(O)c(CN[C@H]2CC[C@H](O)CC2)c1	753850015	JUWQWPRAEXWRHE-UMSPYCQHSA-N	266.297	1.694	10	20	CDCD	
C=CC(=O)N(C)CC(=O)N(C)Cc1ccc(N(C)C)cc1	858199698	PEBOWEUMVFVTCX-UHFFFAOYSA-N	289.379	1.355	10	20	CDCD	
COc1ccc(O)c([C@@H](C)N[C@H](C)C(=O)N(C)OC)c1	858586578	FQATZQWKAYKVSX-NXEZZACHSA-N	282.340	1.460	10	20	CDCD	
CCC1(C(=O)NCc2ccc(N(C)C)cc2)COC1	755062737	URMGUXZSGDYGFU-UHFFFAOYSA-N	262.353	1.795	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)OC[C@@H]1CCCO1	867417530	YLLRQKMURALNRW-NSHDSACASA-N	267.281	1.503	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@@H]2CCc3cncn3C2)c1	862755900	MVUQJYDIVDUBJG-GFCCVEGCSA-N	285.347	1.776	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@](C)(O)C1CC1	935945894	ONGXFELGSRCXGQ-HNNXBMFYSA-N	284.352	1.655	10	20	CDCD	
C[C@H]1CN(C(=O)/C=C/c2cn(C)cn2)c2cccnc2O1	935379710	FWSPTPDPLKVSIU-QRGHLMKCSA-N	284.319	1.642	10	20	CDCD	
O=C(NCc1ccc(F)cn1)NCc1ccccc1O	764361899	VSUBOKABCACZBK-UHFFFAOYSA-N	275.283	1.926	10	20	CDCD	
CN(C)c1ccc(CNC[C@]2(C(=O)O)CCCOC2)cc1	864521061	DIYALDYAYUXZFH-MRXNPFEDSA-N	292.379	1.724	10	20	CDCD	
Cc1ccc(O)c(CN(C)[C@@]2(CO)CCOC2)c1	862427007	SJRNAVWZSPPDFQ-CQSZACIVSA-N	251.326	1.284	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@H]2C[C@@]23CCOC3)cc1	763381588	FBRIMQQBMFESHV-GDBMZVCRSA-N	274.364	1.795	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)c1ccc(O)c(F)c1	768287184	QBBQDXZEKDZSNM-UHFFFAOYSA-N	291.278	1.915	10	20	CDCD	
C[C@@H](CO)NC(=O)N[C@H](C)c1ccc(N(C)C)cc1	775673037	FTPJKURKWNDNNZ-WDEREUQCSA-N	265.357	1.494	10	20	CDCD	
O=S1(=O)CCN(Cc2cc(Cl)cc(F)c2O)CC1	775675747	BGMPCKGQNOHLQD-UHFFFAOYSA-N	293.747	1.415	10	20	CDCD	
COC(=O)NCCC(=O)Nc1c(Cl)ccc2nonc12	1117547573	KTWNZKMOYGFJRI-UHFFFAOYSA-N	298.686	1.561	10	20	CDCD	
COCCn1cc(C(=O)NCCc2ccc(N)cc2)cn1	876527608	BWOPVLZHSYLHSZ-UHFFFAOYSA-N	288.351	1.084	10	20	CDCD	
Cc1cccc(O)c1CN1CC[C@H](N2CCOC2=O)C1	877625059	HEOMVDMVLLYSJS-LBPRGKRZSA-N	276.336	1.727	10	20	CDCD	
Cn1ncc(C(=O)NCc2ccc(O)c(O)c2)c1C(F)F	778919056	RSWMWOSAEHPNRJ-UHFFFAOYSA-N	297.261	1.699	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNC[C@](C)(O)C2CC2)c1O	775013308	UUWZSMDOPITOHQ-AWEZNQCLSA-N	296.323	1.560	10	20	CDCD	
C[C@H](OC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)N(C)C	772775675	NWMVZCSKWJAPSX-PGBBXKAQSA-N	279.292	1.131	10	20	CDCD	
CN(CCc1cnccn1)C(=O)/C=C\c1ccc(O)c(O)c1	779547376	JSIUFTQFWACRGO-HYXAFXHYSA-N	299.330	1.602	10	20	CDCD	
COC[C@@H](CCO)N[C@H](C)c1c(O)cccc1F	886530450	KUQKAPHEMDSXQT-NXEZZACHSA-N	257.305	1.579	10	20	CDCD	
C[C@H]1OCC[C@]1(O)CNCc1c(O)ccc(Cl)c1F	788537066	UJRVJAWRFGUYHD-OQPBUACISA-N	289.734	1.814	10	20	CDCD	
Oc1c(F)cc(F)cc1CNCc1nnnn1C1CC1	883023417	VFGZWSWKTSFPKO-UHFFFAOYSA-N	281.266	1.282	10	20	CDCD	
COc1ccc(CN[C@H]2CCCCNC2=O)c(O)c1OC	892545510	ODUFGBVNAUZULZ-NSHDSACASA-N	294.351	1.168	10	20	CDCD	
C[C@H](N[C@@H](C)[C@@H]1CN(C)CCO1)c1ccccc1O	783518214	KBIQTDFWIBNHSG-HUBLWGQQSA-N	264.369	1.762	10	20	CDCD	
OC[C@]1(F)CCN(Cc2cc(F)cc(F)c2O)C1	894686928	YVSKMLQYJRCPQC-LBPRGKRZSA-N	261.243	1.577	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)CC1OCCO1	793517985	ZLLMHMPSZAJMSC-UHFFFAOYSA-N	278.352	1.440	10	20	CDCD	
C[C@]1(C(N)=O)CCN(Cc2c(O)ccc(Cl)c2F)C1	793389447	HYYIJUDNHSXOBJ-ZDUSSCGKSA-N	286.734	1.882	10	20	CDCD	
CS[C@@H](C)CNC(=O)C(=O)N(C)Cc1ccccc1O	1325210937	VAZWAGSQCZRTNT-JTQLQIEISA-N	296.392	1.218	10	20	CDCD	
C[C@H]1CCC[C@]1(O)CNC(=O)NCc1ccc(N)cc1	1338792447	GPKALRIUXJKNPR-NHYWBVRUSA-N	277.368	1.619	10	20	CDCD	
OCCOC1CCN(Cc2cc(F)cc(F)c2O)CC1	1331991121	TVHHHUZTSARDFU-UHFFFAOYSA-N	287.306	1.644	10	20	CDCD	
Nc1ccc(CNC(=O)Cn2nnc3c2CCCC3)cc1	1346218902	DTQOCHZVZVXISO-UHFFFAOYSA-N	285.351	1.056	10	20	CDCD	
Cc1nc([C@H]2CCN(C(=O)Cc3ccc(N)cc3)C2)n[nH]1	1355742281	WISCDDYFLIVHLM-LBPRGKRZSA-N	285.351	1.254	10	20	CDCD	
O=C(NCc1cccc(O)c1O)c1cc2n(n1)CCCC2	1520508573	GJZUZUZLCSIZIF-UHFFFAOYSA-N	287.319	1.561	10	20	CDCD	
CC(=O)N[C@@H](CSc1ncc(Cl)s1)C(=O)O	1603056225	DBWWAUGELREDEC-YFKPBYRVSA-N	280.758	1.478	10	20	CDCD	
Cc1cc(C)c2c(N)c(C(=O)OCC(=O)O)sc2n1	1611137011	WSZOMIQIQYYSQU-UHFFFAOYSA-N	280.305	1.737	10	20	CDCD	
CC(=O)c1cc(F)cc(CN[C@H](C(=O)O)C(C)C)c1O	1588528275	WJWDZPRGXJWTAI-LBPRGKRZSA-N	283.299	1.933	10	20	CDCD	
COC[C@@H](NCc1ccc(N2CCCC2)cc1)C(=O)O	1599177609	QUCMTIHUHVCRPI-CQSZACIVSA-N	278.352	1.476	10	20	CDCD	
Cc1ccc(C(=O)Nc2cc(C(=O)O)[nH]n2)c(O)c1O	1594347813	YERHDPLMXKMACN-UHFFFAOYSA-N	277.236	1.080	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCNC(=O)C2)c1	151546161	ZZGRDMODFVNGDY-VHSXEESVSA-N	292.335	1.104	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@@H]1CCCS(=O)(=O)C1	816889247	QZKZNXSTHMRAOU-GFCCVEGCSA-N	297.376	1.175	10	20	CDCD	
COc1cccc(O)c1CN[C@@H](C)CN1CCOCC1	921531950	GUDBBEBBWOGJRA-LBPRGKRZSA-N	280.368	1.211	10	20	CDCD	
CNC(=O)C(C)(C)CNCc1ccc(OC)c(C)c1	227604717	CIOKQENHUGYCAF-UHFFFAOYSA-N	264.369	1.865	10	20	CDCD	
CC(C)(CCCO)CNC(=O)c1cccc(O)c1O	229417083	CFKMKTSLFUJXSN-UHFFFAOYSA-N	267.325	1.626	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CC[C@@H](C)[C@H]2CO)c1O	189698615	ZUWQIEYDXDXMCR-YMTOWFKASA-N	281.327	1.937	10	20	CDCD	
COc1cccc(CN[C@@H](CO)C[C@@H]2CCCO2)c1O	886228991	JERBQJNHKNTBGZ-OLZOCXBDSA-N	281.352	1.420	10	20	CDCD	
Cc1ccc(C(=O)N2C[C@H](C)OC[C@@H]2C)c(O)c1O	177670508	OBMDQPUJPJUOEF-UWVGGRQHSA-N	265.309	1.656	10	20	CDCD	
COCCOCC(=O)NCc1ccc2c(c1)CCCN2C	69950376	DPTKAHUPSLZJRS-UHFFFAOYSA-N	292.379	1.348	10	20	CDCD	
CCOc1cccc(CN(C)CC(=O)N(C)C)c1O	132129003	PYHXMIKFFFYOLK-UHFFFAOYSA-N	266.341	1.311	10	20	CDCD	
COc1ccc(O)c([C@H](C)N[C@@H]2C=C[C@H](CO)C2)c1	185830100	XEPNJVKASFDIDU-SDDRHHMPSA-N	263.337	1.988	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2cc(C)nc(O)c2)c1	180736643	PFVWCWDUXRAJNG-UHFFFAOYSA-N	288.303	1.740	10	20	CDCD	
C[C@H](CN[C@H](C)c1ccccc1O)CN1CCN(C)CC1	183491700	MSVSGAPTXDNGPV-HUUCEWRRSA-N	291.439	1.926	10	20	CDCD	
CC(C)(C)[S@@](=O)CCNC(=O)NCc1ccccc1O	76977086	QMLGBXKSNWQAPR-HXUWFJFHSA-N	298.408	1.739	10	20	CDCD	
COc1cccc(CNC(=O)C[C@H]2CCCOC2)c1O	193595883	SXTJPLWZORANAP-LLVKDONJSA-N	279.336	1.834	10	20	CDCD	
CC(C)(CN)C(=O)NCCCSc1nccs1	236607199	UGFBYHKVBLMELQ-UHFFFAOYSA-N	273.427	1.726	10	20	CDCD	
COC[C@H](C)CNC(=O)NCCc1ccc(N)cc1	841830632	YMLDPYTUZCKGIF-LLVKDONJSA-N	265.357	1.393	10	20	CDCD	
COC[C@H]1CCN(C(=O)NCc2ccc(N(C)C)cc2)C1	265762241	KGWROXCCBJEYQU-AWEZNQCLSA-N	291.395	1.931	10	20	CDCD	
Oc1cc2c(cc1CN[C@@H]1CCc3c[nH]nc3C1)OCO2	363938817	QBINAXSRSAEBIO-LLVKDONJSA-N	287.319	1.491	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2CCC[C@](C)(O)C2)c1O	278261261	QMIBBYPFLSFQBA-AWEZNQCLSA-N	296.323	1.656	10	20	CDCD	
Nc1ccc(CN2CCC[C@H](C3OCCO3)C2)cc1	1337834873	YECZBICFFVMOLE-ZDUSSCGKSA-N	262.353	1.854	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)CN(C)C(C)C	808094881	IQFFWOLDKQVWQD-UHFFFAOYSA-N	285.384	1.834	10	20	CDCD	
CC1(C)[C@H]2CN(C(=O)c3c(F)ccc(O)c3O)C[C@@H]21	294773516	AIGQGFUUMPUXFI-YUMQZZPRSA-N	265.284	1.965	10	20	CDCD	
CCCN(CC(N)=O)Cc1ccc(OCC)cc1O	814177932	VQVOSOLNCXXBJH-UHFFFAOYSA-N	266.341	1.488	10	20	CDCD	
COc1ccc(O)c(CN2C[C@H](C)C[C@@H](CO)C2)c1	817413272	VKJSBPCBLQYBAY-VXGBXAGGSA-N	265.353	1.851	10	20	CDCD	
Cc1cc(CN(C)CCNC(=O)N(C)C)ccc1N(C)C	815081038	QCHGBLLUVYWWDJ-UHFFFAOYSA-N	292.427	1.764	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@@H]2CC[C@H](CN)C2)c1	817983133	YSUYMGJJQROBHO-GMXVVIOVSA-N	292.379	1.957	10	20	CDCD	
N[C@@H]1CCC[C@@H]1NCc1ccc(N2CCOCC2)c(F)c1	817889794	VXPHQMWPHMWNCM-CABCVRRESA-N	293.386	1.632	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)NCC[C@H](C)N)c1	817954172	XCASIOSMCYQDPU-UWVGGRQHSA-N	266.341	1.567	10	20	CDCD	
COc1cc(O)c(CN2C[C@@H](CO)C[C@@H](C)C2)cc1OC	817412322	IUWLXOPJHSPGMB-NEPJUHHUSA-N	295.379	1.860	10	20	CDCD	
O=C1CN(Cc2ccc(Br)cc2O)CCCN1	824627861	ZGRHPLDTCWAANS-UHFFFAOYSA-N	299.168	1.477	10	20	CDCD	
CC(C)N1CCC[C@H]1C(=O)NCc1ccc(O)cc1O	822971270	BLCSXJGLOJBNBX-ZDUSSCGKSA-N	278.352	1.587	10	20	CDCD	
C[C@H]1NCC[C@@H]1C(=O)NCc1ccc(N(C)C)c(F)c1	827901514	OUYZXCBDIXKRIS-PWSUYJOCSA-N	279.359	1.506	10	20	CDCD	
COCCN(C(=O)c1cccc(O)c1O)C1CCOCC1	829756392	YGDAYSVEKUGKON-UHFFFAOYSA-N	295.335	1.365	10	20	CDCD	
CCN1C(=O)/C(=C/c2c[nH]c(C(=O)O)c2)SC1=S	829740682	PJZPTZWAUHLTKI-YWEYNIOJSA-N	282.346	1.934	10	20	CDCD	
C[C@]1(CNCc2cc([N+](=O)[O-])ccc2O)CCOC1	733327945	MLRFFNIMEAMVOQ-CYBMUJFWSA-N	266.297	1.817	10	20	CDCD	
CCNC(=O)C(C)(C)NCc1ccc(N(C)C)c(F)c1	835076020	GUDOJDMGVYFCJW-UHFFFAOYSA-N	281.375	1.896	10	20	CDCD	
C[C@@H](CN(Cc1cc2c(cc1O)OCO2)C1CC1)C(=O)O	736583253	LZTYXKXNAPSREL-VIFPVBQESA-N	293.319	1.806	10	20	CDCD	
COc1ccc(CNC(=O)CC[C@@H]2CCCN2)c(O)c1	832177780	GJOHHVVJJQLUCB-LBPRGKRZSA-N	278.352	1.549	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCc1ccon1	831924381	HBIDLGMDQVSUIN-JTQLQIEISA-N	290.319	1.766	10	20	CDCD	
CCOC(=O)C(C)(C)C(=O)NCc1ccc(O)cc1O	910949654	NJUJMAFGNNRLTH-UHFFFAOYSA-N	281.308	1.303	10	20	CDCD	
C[C@@H](CN)N(C)Cc1ccc(N2CCOCC2)c(F)c1	843051453	IFBDUTFEGHIPGP-LBPRGKRZSA-N	281.375	1.441	10	20	CDCD	
C[C@H](NC(=O)C(=O)NCCc1ccc(N)cc1)C1CCC1	842139631	AFGIVXAVPURQPL-NSHDSACASA-N	289.379	1.232	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)C(F)(F)C1(O)CCC1	910949917	QKGWYTHSSRRIMN-UHFFFAOYSA-N	287.262	1.264	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CCCNC1	841825247	ZWOOHECVKWITNW-CQSZACIVSA-N	290.411	1.612	10	20	CDCD	
CN(C)c1cc(F)c(CNCC2OCCCO2)cc1F	922280949	PWTJJOIAZPNVBW-UHFFFAOYSA-N	286.322	1.883	10	20	CDCD	
CC[C@@H](C)C[C@@H](CO)NC(=O)c1c(F)ccc(O)c1O	844149482	QCZGTWFFJFIRMK-BDAKNGLRSA-N	285.315	1.764	10	20	CDCD	
COC[C@@H](O)CCNCc1cc(F)c(N(C)C)cc1F	858154950	WNZIWQSGAWSKLS-NSHDSACASA-N	288.338	1.518	10	20	CDCD	
C[C@@H]1CN(CCNC(=O)c2cc(O)cs2)[C@H](C)CO1	855407389	MCVRSDLBHSLBPI-NXEZZACHSA-N	284.381	1.293	10	20	CDCD	
COC[C@@H](CN[C@H](C)c1cc(F)cc(F)c1O)OC	757636894	HILPQIFMQDRHAY-PSASIEDQSA-N	275.295	1.982	10	20	CDCD	
CCC1(CO)CCN(C(=O)Cc2ccc(N)cc2)CC1	863583646	CJSJAUSEROKOQY-UHFFFAOYSA-N	276.380	1.822	10	20	CDCD	
COc1cc(CN2CCCS(=O)(=O)CC2)c(O)cc1C	768445062	DVMNBXCWCZMXGA-UHFFFAOYSA-N	299.392	1.330	10	20	CDCD	
C[C@H](NC[C@]1(O)CCN(C)C1)c1cc([N+](=O)[O-])ccc1O	762788746	QLRDZGWSYLPOIA-IINYFYTJSA-N	295.339	1.018	10	20	CDCD	
CC[C@@]1(C(=O)N(C)c2ccc(N)cc2)CCNC1=O	877076844	RTZRYNJFCDSNFO-CQSZACIVSA-N	261.325	1.148	10	20	CDCD	
CN(C[C@@H](O)C1CC1)C(=O)/C=C\c1ccc(O)c(O)c1	779529850	VXOAYZAKOVVVQX-NMNMAYGDSA-N	277.320	1.340	10	20	CDCD	
CCN(C)c1ccc(CN2C[C@H](CO)OC[C@H]2C)cc1	773766353	SQVDGCSKMSBPCW-CZUORRHYSA-N	278.396	1.724	10	20	CDCD	
Cn1ccc(S(=O)(=O)Nc2ccc(O)c(Cl)c2)n1	776750687	JNCUKDCXTJLWOI-UHFFFAOYSA-N	287.728	1.580	10	20	CDCD	
Cc1cccc(CN2CCC(n3cnnc3O)CC2)c1O	788831437	LCMZJDMEVMJPAD-UHFFFAOYSA-N	288.351	1.835	10	20	CDCD	
COc1ccc(CN(C)Cc2cnc[nH]2)c(O)c1OC	895303244	VARWESUIAFTDBU-UHFFFAOYSA-N	277.324	1.765	10	20	CDCD	
COc1ccc(CNC(=O)[C@H](OC)C2CC2)c(O)c1	794378148	PLXLPRRYOUUJFA-CYBMUJFWSA-N	265.309	1.442	10	20	CDCD	
CCCN(CC(N)=O)Cc1ccc(N2CCCC2)cc1	1327742724	VWFRKTJUUVANRW-UHFFFAOYSA-N	275.396	1.984	10	20	CDCD	
O=C(O)C[C@@H](NCc1cc([N+](=O)[O-])ccc1O)C1CC1	1320748458	GDLARXWSOUNBJD-LLVKDONJSA-N	280.280	1.643	10	20	CDCD	
Nc1ccc(CNC(=O)N(CCO)C2CCC2)cc1	1337018224	IFANCFMIJCJPPC-UHFFFAOYSA-N	263.341	1.325	10	20	CDCD	
CCOC(=O)C[C@@H]1CCCN1C(=O)c1cccc(O)c1O	1339534634	BZRACYQJHDXYKI-JTQLQIEISA-N	293.319	1.656	10	20	CDCD	
CCN(C)C[C@H]1CCN(C(=O)NCc2ccc(N)cc2)C1	1335726730	WRCVGTCKTWMKGW-CQSZACIVSA-N	290.411	1.752	10	20	CDCD	
O=C(NCc1cccc(O)c1O)[C@@]1(Cl)C[C@H]2CC[C@H]1O2	1348047093	LSJNKCKRXZOXNW-GLXFQSAKSA-N	297.738	1.643	10	20	CDCD	
CCCCN(Cc1ccccc1O)C(=O)NCCCON	1357679771	FODBKQKMZQFSHV-UHFFFAOYSA-N	295.383	1.984	10	20	CDCD	
CN(CCCC(=O)O)C(=O)NCc1ccc(N(C)C)cc1	1520852219	ULGCLUFLHGLBFM-UHFFFAOYSA-N	293.367	1.759	10	20	CDCD	
O=C(NCc1cccc(O)c1O)[C@@H]1C[C@H]2CC[C@H]1O2	1521851617	NSKRJGIRYTZAHS-CKYFFXLPSA-N	263.293	1.282	10	20	CDCD	
O=C(O)c1cncc(C(=O)NCc2ccccc2O)c1	1608980143	LZOWDBJPHUHWDU-UHFFFAOYSA-N	272.260	1.415	10	20	CDCD	
Cc1oc(CNC(=O)Cc2ccc(N)cc2)cc1C(=O)O	1600847064	LJZSOBNHUBCWFH-UHFFFAOYSA-N	288.303	1.727	10	20	CDCD	
COc1cc(C(=O)O)ccc1/C=C1\SC(=S)NC1=O	1777268076	YTBPRMNWJIAPRN-UITAMQMPSA-N	295.341	1.882	10	20	CDCD	
Nc1ccc(CN[C@@H](CO)Cc2ccccc2)cc1	1120268813	JTAISNXPGFZRIZ-MRXNPFEDSA-N	256.349	1.962	10	20	CDCD	
C[C@H](NCCS(=O)(=O)C1CC1)c1cc(F)ccc1O	840882152	GJSROWDZTJVHOO-VIFPVBQESA-N	287.356	1.759	10	20	CDCD	
C[C@H]1CCCCN1S(=O)(=O)NCc1ccccc1O	158579407	MNVHZQRWBCTSAT-NSHDSACASA-N	284.381	1.601	10	20	CDCD	
CC(C)C[C@@H](CNC(=O)Cc1ccc(N)cc1)N(C)C	40831305	AACPLLAFAKJHDQ-HNNXBMFYSA-N	277.412	1.904	10	20	CDCD	
COc1ccc(CN[C@@H]2CS(=O)(=O)C[C@@H]2C)cc1C	288535213	KLLVXENRRBODRT-WCQYABFASA-N	283.393	1.526	10	20	CDCD	
COc1cccc(CN[C@H]2CCCS(=O)(=O)C2)c1O	69142854	XHQDVIHURPAIMC-NSHDSACASA-N	285.365	1.068	10	20	CDCD	
CC(C)(CS(C)(=O)=O)NCc1cc(F)ccc1O	391460577	MWPNUIKFMFZNMO-UHFFFAOYSA-N	275.345	1.444	10	20	CDCD	
CN1CCC(CN(C)Cc2cc3c(cc2O)OCO3)CC1	103462121	AQAVFOZEXRWBFC-UHFFFAOYSA-N	292.379	1.895	10	20	CDCD	
CN1CCN(c2ccc(CN(C)CCC(=O)O)cc2)CC1	108245150	WZGVCWNGWSLSIE-UHFFFAOYSA-N	291.395	1.345	10	20	CDCD	
CCOc1ccc(O)c(CN(C)CC(=O)OC)c1	179396586	PTLWSOSJCDEWBU-UHFFFAOYSA-N	253.298	1.396	10	20	CDCD	
CN1CCC2(CCN(Cc3ccccc3O)CC2)C1=O	365827824	DBNGVYASWCHEEU-UHFFFAOYSA-N	274.364	1.837	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N[C@@]2(C)CCOC2)cc1	129255436	TZDAEAQSZQGCDH-HNNXBMFYSA-N	277.368	1.731	10	20	CDCD	
CN(C[C@H]1CCCOC1)C(=O)/C=C/c1ccc(O)c(O)c1	181055248	WZQRDIQJOAPITM-VUDGCMKMSA-N	291.347	1.996	10	20	CDCD	
CCNS(=O)(=O)[C@@H]1CCN(Cc2cc(C)ccc2O)C1	181564026	APPMSNDQBILNHS-CYBMUJFWSA-N	298.408	1.214	10	20	CDCD	
O=C(NCCO)c1ccc(NCc2ccccc2O)cc1	37130990	OSWLNSSWIMCXBO-UHFFFAOYSA-N	286.331	1.726	10	20	CDCD	
C[C@@H](O)CN1CCN(Cc2ccc(N(C)C)cc2)CC1	188735319	ZOCUBDWNBNOYRX-CQSZACIVSA-N	277.412	1.251	10	20	CDCD	
COC(=O)C(C)(C)CS(=O)(=O)Nc1ccc(O)cc1	288497734	UCPWFJJXZYKWPJ-UHFFFAOYSA-N	287.337	1.333	10	20	CDCD	
COc1ccc(O)c(CN2CC[C@@](C)(C(=O)O)C2)c1	86779976	WJHGDGMYSADRJD-CQSZACIVSA-N	265.309	1.697	10	20	CDCD	
COc1cccc(CN2CC(=O)N[C@@H]3CCCC[C@@H]32)c1O	92703349	WXGYLWFWEPDFRR-OLZOCXBDSA-N	290.363	1.644	10	20	CDCD	
COC[C@@H](CCO)N[C@H]1CCc2cccc(O)c21	297861583	UCSSRLKKWUBTCM-NEPJUHHUSA-N	251.326	1.367	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1cccnc1O	608250391	LGYXZBQEDYGSRB-UHFFFAOYSA-N	299.330	1.892	10	20	CDCD	
CC[C@H](N[C@@H](CO)c1cnn(C)c1)c1ccccc1O	274812066	YBACIZUZYCQUQB-KBPBESRZSA-N	275.352	1.900	10	20	CDCD	
COC(=O)[C@H]1C[C@H](OC)CCN1Cc1ccccc1O	360001736	WOPODKIIWWGGTG-CHWSQXEVSA-N	279.336	1.545	10	20	CDCD	
COC(=O)COc1ccc(N(C)Cc2nonc2C)cc1	273075810	KFPMGCAOTXUTFC-UHFFFAOYSA-N	291.307	1.566	10	20	CDCD	
Cc1cccc(CNCCN2CCCOCC2)c1O	289427022	JZPOFQMYACOLGI-UHFFFAOYSA-N	264.369	1.513	10	20	CDCD	
COc1ccc(N(C)C[C@H](O)CN(C)C2CC2)c(OC)c1	289332648	HWLHWQLOJIRSEL-CYBMUJFWSA-N	294.395	1.595	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCC[C@@H]1[C@@H]1CCCO1	285795916	MGFWEGGEOCPJBY-YPMHNXCESA-N	277.320	1.881	10	20	CDCD	
Cc1nnc(NC(=O)c2cccc(O)c2O)n1C1CC1	285687501	AERSSOROFNINRP-UHFFFAOYSA-N	274.280	1.585	10	20	CDCD	
COc1cccc(CNCc2ccc(CO)o2)c1O	289425730	JTRNHOSDOQKACB-UHFFFAOYSA-N	263.293	1.776	10	20	CDCD	
CN1CCN(CCNCc2ccccc2O)CC1(C)C	282431181	RHSMFRMYXGSAQW-UHFFFAOYSA-N	277.412	1.508	10	20	CDCD	
C[C@H](NC(=O)c1c(F)ccc(O)c1O)[C@@H]1CCCCO1	294888604	GEHBUEIPAIUHRD-KWQFWETISA-N	283.299	1.924	10	20	CDCD	
Cc1ccc(O)c([C@H](C)NCCCN2CCNCC2)c1	817937543	XOJHCZRUMALUIZ-AWEZNQCLSA-N	277.412	1.647	10	20	CDCD	
COc1cc(O)c(CN2C[C@@H](C)C[C@H](CO)C2)cc1OC	817412324	IUWLXOPJHSPGMB-RYUDHWBXSA-N	295.379	1.860	10	20	CDCD	
C[C@H](NC[C@H](N)c1ccc(N(C)C)cc1)c1cnn(C)c1	817942450	OXKQUZFLSZGXHP-LRDDRELGSA-N	287.411	1.837	10	20	CDCD	
Cc1nn(C)c2ncc(C(=O)NCc3ccccc3O)cc12	728210462	FMXUFLYLWCKTGY-UHFFFAOYSA-N	296.330	1.912	10	20	CDCD	
COc1ccc(O)c(CNC(=O)C2(C(=O)C3CC3)CC2)c1	825838534	BXFPZOUXWMJJAM-UHFFFAOYSA-N	289.331	1.776	10	20	CDCD	
CC(C)(CNC(=O)c1cccc(O)c1O)CC(=O)O	720945694	ZTGTVSKBYJAEPP-UHFFFAOYSA-N	267.281	1.329	10	20	CDCD	
Oc1c(Cl)cccc1CN1CCc2nn[nH]c2C1	827884739	GULMOSOMCGDNFP-UHFFFAOYSA-N	264.716	1.722	10	20	CDCD	
Cc1cccc(CN2C[C@H](C)N(CCO)[C@H](C)C2)c1O	824925826	FJILHENIBQXOBX-OKILXGFUSA-N	278.396	1.588	10	20	CDCD	
CCn1nc(C)c(CNC(=O)c2c(F)ccc(O)c2O)n1	822375642	ALJAKLGTQBUYHJ-UHFFFAOYSA-N	294.286	1.087	10	20	CDCD	
CC(C)[C@@H](CNC(=O)c1cc(O)cs1)N1CCOCC1	731867446	KRDYRXIGNRFAOC-GFCCVEGCSA-N	298.408	1.540	10	20	CDCD	
C[C@@H](NCc1nnn(C)n1)c1ccc(Cl)cc1O	841752176	MUUCANXESWLMIL-SSDOTTSWSA-N	267.720	1.420	10	20	CDCD	
COc1ccc(N(C)CCN(C)C(=O)C2CC2)cc1	844852836	UHTMSJHEUFCLAT-UHFFFAOYSA-N	262.353	2.000	10	20	CDCD	
Cc1cc(C)c([C@H](C)NC[C@@H](O)Cn2ccnn2)c(O)c1	840804108	ZXYUQIVVPWBHJC-QWHCGFSZSA-N	290.367	1.312	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NC[C@@H]2COCO2)cc1F	915371888	IYXDARCYYRVINS-LLVKDONJSA-N	297.330	1.064	10	20	CDCD	
C[C@H](N[C@H](C)CC(N)=O)c1ccc(N2CCOCC2)cc1	749130007	OPGJGFBDEJZKKJ-OLZOCXBDSA-N	291.395	1.438	10	20	CDCD	
CCc1cccc(CN2CC(C)(C(=O)OC)C2)c1O	848918351	XCLBSYJTMYVAER-UHFFFAOYSA-N	263.337	1.950	10	20	CDCD	
CN(C)c1ccc(CNC(=N)N2CCC2)cc1F	848998983	QIABELHKDIBWHY-UHFFFAOYSA-N	250.321	1.622	10	20	CDCD	
CCN(CC)C(=O)CN[C@@H](C)c1cccc(OC)c1O	846145755	QBUSSRCLHROAGS-NSHDSACASA-N	280.368	1.920	10	20	CDCD	
CSCC[C@H](C)N(C)C(=O)C(=O)Nc1ccc(N)cc1	841043615	XXTFWJVSUSUKSP-JTQLQIEISA-N	295.408	1.807	10	20	CDCD	
CCC[C@@H]1CNCCN1Cc1cccc(OC)c1O	843057985	JWYDQQKJBBFKLP-CYBMUJFWSA-N	264.369	1.975	10	20	CDCD	
Nc1ccc(CCNC(=O)NCCOCC(F)F)cc1	841888322	WFMFRZUIBZXGJJ-UHFFFAOYSA-N	287.310	1.392	10	20	CDCD	
C[C@@H]1CNCCN1Cc1c(O)ccc(Cl)c1F	843046921	FLHSZUQFNSJZGI-MRVPVSSYSA-N	258.724	1.978	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)NCCO[C@@H]1CCOC1	927513556	ZQOIWHDPYBBBRO-CYBMUJFWSA-N	294.351	1.339	10	20	CDCD	
CNC[C@H](C)NC(=O)c1cc(C)n(-c2ccccn2)c1C	852920449	BTTOEXUZIFCGKM-NSHDSACASA-N	286.379	1.827	10	20	CDCD	
O=C(c1cc(O)cs1)N1CC[C@H](c2nc[nH]n2)C1	854987573	RUBWPIVDKBMSEF-ZETCQYMHSA-N	264.310	1.202	10	20	CDCD	
CN(C)C(=O)C1(NC(=O)c2cc(O)cs2)CCCCC1	854779862	IVRLIXXBGOLMLA-UHFFFAOYSA-N	296.392	1.975	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)NCCCO)c1	756339237	CPBNRBPCTIJSAG-VIFPVBQESA-N	253.298	1.212	10	20	CDCD	
C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)NCc1ccccc1O	757663530	CBVROKSKVSKPSN-FZMZJTMJSA-N	289.379	1.674	10	20	CDCD	
Cn1nnc2cc(/C=C3\SC(=S)NC3=O)ccc21	751029197	AKCDBIHZZJMEKO-UITAMQMPSA-N	276.346	1.457	10	20	CDCD	
C[C@@H](NC(=O)[C@@]1(C)CCCNC1)c1ccccc1O	877255975	LJFHYFJHXBXJMX-ABAIWWIYSA-N	262.353	1.959	10	20	CDCD	
Cn1cc(CCC(=O)NCc2ccc(O)c(O)c2)cn1	768914430	SLBRNWRNBUBNDN-UHFFFAOYSA-N	275.308	1.080	10	20	CDCD	
COc1ccc(O)c(CNC(=O)CCc2cn[nH]c2)c1	863873884	LDAHLUZXIAJSIU-UHFFFAOYSA-N	275.308	1.373	10	20	CDCD	
CNC(=O)CCCN(C)Cc1c(C)cccc1O	876773650	DCDGDSPPTLLAEV-UHFFFAOYSA-N	250.342	1.659	10	20	CDCD	
Cc1ccc(CNC[C@H]2CN3CCC[C@H]3CO2)c(O)c1	877021590	GRVQEPWCIOAOKF-GJZGRUSLSA-N	276.380	1.653	10	20	CDCD	
CC(C)[C@@](C)(O)C(=O)NCc1ccc(O)c(O)c1	771419626	ZFVKVSZDYDKDPJ-CYBMUJFWSA-N	253.298	1.121	10	20	CDCD	
C[C@@H]1NC(=O)N(CCCSc2nccs2)C1=O	777649071	CLDJPTPYQYFCJR-ZETCQYMHSA-N	271.367	1.566	10	20	CDCD	
CC[C@H](C)[C@@](C)(O)CNC(=O)c1ccc(C)c(O)c1O	780956274	TVTYMPQQEABYGT-BONVTDFDSA-N	281.352	1.933	10	20	CDCD	
Oc1ccc(Br)cc1CNC[C@@H]1COCO1	894872117	YGVZIPAXPLKKKU-SNVBAGLBSA-N	288.141	1.617	10	20	CDCD	
C[C@H]1CN(C[C@@H](C)O)CCN1Cc1cc(Cl)ccc1O	793586082	FRPWFWKHTAXWKD-NWDGAFQWSA-N	298.814	1.933	10	20	CDCD	
Oc1ccc(Cl)c(F)c1CNCCN1CCOCC1	790946786	VZXPYTCYJHSCOE-UHFFFAOYSA-N	288.750	1.607	10	20	CDCD	
CCCN(CC(=O)N(C)C)Cc1cc(OC)ccc1O	133662965	NBVVJDGDLCQPHC-UHFFFAOYSA-N	280.368	1.701	10	20	CDCD	
COc1cccc(CNCc2cnc(C)n2C)c1O	689210488	DLPVTUYRJVFSGU-UHFFFAOYSA-N	261.325	1.733	10	20	CDCD	
Cc1ccc(O)c(CNCCS(=O)(=O)N2CCCC2)c1	721875452	VVKHGZYXWZSDRM-UHFFFAOYSA-N	298.408	1.216	10	20	CDCD	
CCOc1cccc(CN2CC[C@@H](CCN)C2)c1O	723699525	TVXRGCITIQVJIB-GFCCVEGCSA-N	264.369	1.962	10	20	CDCD	
CNC[C@@H](C)NCc1ccc(N2CCN(C)CC2)c(F)c1	1333692305	JUBPGRJMMHDNKQ-CYBMUJFWSA-N	294.418	1.275	10	20	CDCD	
C[C@H]1CN(C)[C@H](C)CN1Cc1cc2c(cc1O)OCO2	775984364	FUSZPIQYURAGBF-MNOVXSKESA-N	278.352	1.645	10	20	CDCD	
COc1cccc(O)c1CNCC1(S(C)(=O)=O)CCC1	793279770	IDBQHTSYOXDIOI-UHFFFAOYSA-N	299.392	1.458	10	20	CDCD	
COc1ccc(N2CCN(C(=O)[C@@H]3C[C@H]3F)CC2)cc1F	1346394934	ZSIXNDCMSOEQFH-VXGBXAGGSA-N	296.317	1.841	10	20	CDCD	
COc1ccc(CNC(=O)[C@@H]2CCC[C@@H]2OC)c(O)c1	1358185379	KGFCOBXXXKUNOE-OCCSQVGLSA-N	279.336	1.832	10	20	CDCD	
O=C(Cc1ccc(C(=O)O)nc1)NCc1ccccc1O	1601358769	QLCHTPUINOMSSK-UHFFFAOYSA-N	286.287	1.344	10	20	CDCD	
O=C1NC(=S)S/C1=C/c1cccc(C(=O)O)n1	1602656925	WRQXPVUSLHEAPY-QPJJXVBHSA-N	266.303	1.269	10	20	CDCD	
COc1cccc(O)c1CN1CC[C@](OC)(C(=O)O)C1	1607326850	UHDFXZFVBXXEGV-CQSZACIVSA-N	281.308	1.076	10	20	CDCD	
O=C(O)[C@H]1CSCCN(C(=O)c2cc(O)cs2)C1	1601855649	DSDYLPBXECBRMF-SSDOTTSWSA-N	287.362	1.344	10	20	CDCD	
C[C@@H](CN[C@@H](C)c1cc(C(=O)O)ccc1O)CN(C)C	1604183828	FUEQVVXKSCSZKL-QWRGUYRKSA-N	280.368	1.939	10	20	CDCD	
COc1ccc(O)c(CNC(=O)NC2CC=CC2)c1	151759295	UYBZSIXOKXZDOQ-UHFFFAOYSA-N	262.309	1.919	10	20	CDCD	
CCN(C)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1	153808675	DHTHGGPSNXCPMT-UHFFFAOYSA-N	261.285	1.691	10	20	CDCD	
CNS(=O)(=O)CCN[C@@H]1C[C@H](C)c2c(C)ccc(O)c21	221109672	BRGDNWQKCXRMDC-WDEREUQCSA-N	298.408	1.388	10	20	CDCD	
C[C@H](NC1CCN(S(C)(=O)=O)CC1)c1ccccc1O	36828482	YSQCSJKZZZQDBC-NSHDSACASA-N	298.408	1.467	10	20	CDCD	
CNC(=O)CNCc1ccc(N2CCCCC2)cc1	37207291	ZSAOOVQGPSVSAK-UHFFFAOYSA-N	261.369	1.513	10	20	CDCD	
CCc1cccc(CN(C)CCNC(C)=O)c1O	692108728	IMYQXQYFZRPOQY-UHFFFAOYSA-N	250.342	1.523	10	20	CDCD	
COC[C@](C)(O)CN[C@@H](C)c1ccc(C)cc1O	382576614	UGCSOLDHPIGHFM-SMDDNHRTSA-N	253.342	1.749	10	20	CDCD	
CNC(=O)CCCN[C@@H](C)c1ccc(C)cc1O	398446298	LJKODIAUSUDAPE-NSHDSACASA-N	250.342	1.877	10	20	CDCD	
CC(C)[C@H](C(=O)NCc1ccccc1O)[C@@H](C)N	399493196	HJQRMHBVWILEEA-MFKMUULPSA-N	250.342	1.628	10	20	CDCD	
COCC[C@H](C)NCc1cc2c(cc1O)OCO2	112018171	WSGIAWXQVOOYFD-VIFPVBQESA-N	253.298	1.636	10	20	CDCD	
CN(Cc1ccccc1O)S(=O)(=O)CC1CCOCC1	173192665	LLDXMEZAGMTLEI-UHFFFAOYSA-N	299.392	1.580	10	20	CDCD	
COCCN(Cc1cccc(Cl)c1O)[C@@H](C)C(N)=O	180072785	TURKWZNKAYYKNP-VIFPVBQESA-N	286.759	1.368	10	20	CDCD	
COCCCN(CCO)Cc1ccc(N(C)C)cc1	188935553	GATQIELWLFVJBQ-UHFFFAOYSA-N	266.385	1.583	10	20	CDCD	
CCN(CCO)CCNCc1cccc(Cl)c1O	187569471	FLQRTDJJLVWFMO-UHFFFAOYSA-N	272.776	1.449	10	20	CDCD	
COc1cc(C(=O)NCc2ccc(N(C)C)cc2)on1	183399264	LNAYRIWSAZTZAG-UHFFFAOYSA-N	275.308	1.679	10	20	CDCD	
CCOC(=O)[C@H]1CCCN1Cc1cccc(OC)c1O	180762024	OOLJNFAQSWHFNQ-GFCCVEGCSA-N	279.336	1.928	10	20	CDCD	
Cn1cnnc1[C@H]1CCCN1Cc1cc(F)ccc1O	180227808	QHLRBFSPNFCUBF-GFCCVEGCSA-N	276.315	1.997	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(C#N)cn1	183469101	CGCCFOLAFQSGLH-JTQLQIEISA-N	297.314	1.725	10	20	CDCD	
COc1cc(Cl)cc(CN[C@H](C)C(N)=O)c1O	228677221	VIHASKMVFVVQMP-ZCFIWIBFSA-N	258.705	1.018	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2n[nH]nc2C)c1	194367616	PHSNCGDFSVEYHT-SSDOTTSWSA-N	276.296	1.318	10	20	CDCD	
CC[C@@H]1C(=O)NCCN1Cc1cc(Cl)ccc1O	93050076	IJOSLTZHPQYRTM-LLVKDONJSA-N	268.744	1.756	10	20	CDCD	
CN1CCCc2cc(CNC(=O)c3nc[nH]n3)ccc21	269411401	FEFXPZWYAMJDAP-UHFFFAOYSA-N	271.324	1.117	10	20	CDCD	
CCN(C)C(=O)[C@H](C)N[C@H](C)c1cc([N+](=O)[O-])ccc1O	276698393	VLCVFWWEPMFIGB-ZJUUUORDSA-N	295.339	1.818	10	20	CDCD	
COc1cccc(CN2C[C@@H](O)C(C)(C)C2)c1O	280516913	QQKXQKXAMCPUPY-GFCCVEGCSA-N	251.326	1.604	10	20	CDCD	
CN(C)c1ccc(CN2CC(=O)N(C3CC3)C2)cc1F	280443915	KPFQCIHRIBZSTP-UHFFFAOYSA-N	277.343	1.656	10	20	CDCD	
CCC(=O)N1CC[C@@H](N[C@H]2CCc3cccc(O)c32)C1	296770547	KMVQVXWZVJCIKM-OLZOCXBDSA-N	274.364	1.980	10	20	CDCD	
CN(Cc1ccccc1O)C[C@@H]1CCNC(=O)CC1	294858621	CXVPIZLMWKCZSM-LBPRGKRZSA-N	262.353	1.740	10	20	CDCD	
C[C@@H]1COCC[C@H]1CNC(=O)NCc1ccccc1O	805821205	GUPVLMCQPNKOCR-NEPJUHHUSA-N	278.352	1.864	10	20	CDCD	
CSC[C@@H](O)CNCc1ccc(N2CC=CC2)cc1	819095340	FHGILRSEQQONQE-HNNXBMFYSA-N	278.421	1.876	10	20	CDCD	
CCN(C)c1ccc(CN2CC[C@](C)(C(N)=O)C2)cc1	815105780	KYNHPSCKIGBIFG-INIZCTEOSA-N	275.396	1.840	10	20	CDCD	
C[C@@H](NC[C@H]1CNCCCO1)c1cc(F)ccc1O	817981288	IKLSAESWJCZRQO-ZYHUDNBSSA-N	268.332	1.560	10	20	CDCD	
CC(C)N[C@H]1CCCN(C(=O)c2c(F)ccc(O)c2O)C1	825670110	ICNGVDFYBUWOIR-JTQLQIEISA-N	296.342	1.840	10	20	CDCD	
COc1ccc(CNC(=O)[C@H](N)CCSC)c(O)c1	832177612	BVSWBPDVWLYKBR-LLVKDONJSA-N	284.381	1.097	10	20	CDCD	
CCNC(=O)NC(=O)[C@@H](C)N(CC)c1ccc(OC)cc1	747681594	CGDXIYFVDVGIRM-LLVKDONJSA-N	293.367	1.756	10	20	CDCD	
NCc1nc(COc2ccc(N3CCCC3)cc2)no1	843315804	BLDIGENRKCOZRC-UHFFFAOYSA-N	274.324	1.708	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNCCCN1CCOCC1	840928312	OTHKMVHUDQGFFO-UHFFFAOYSA-N	291.439	1.873	10	20	CDCD	
C[C@H](N)[C@H]1CCN(C(=O)NCc2ccc(N(C)C)cc2)C1	841653869	KJUHMQBVJOXHLI-JSGCOSHPSA-N	290.411	1.631	10	20	CDCD	
N[C@@H]1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2O)C1	843044390	AZVLMXMVJUAGPO-SECBINFHSA-N	271.704	1.487	10	20	CDCD	
NCCNC(=O)NCc1cc(Cl)cc(Cl)c1O	841922764	QHRFHOBHASLSLA-UHFFFAOYSA-N	278.139	1.457	10	20	CDCD	
COc1cccc([C@H](C)NCC2(CO)COC2)c1O	846154623	BPWXVFQHAWCANH-JTQLQIEISA-N	267.325	1.060	10	20	CDCD	
Nc1ccc(NC(=O)CN2CCSC2=O)cc1	269139687	UPOWYVNBVYNWQP-UHFFFAOYSA-N	251.311	1.376	10	20	CDCD	
CC[C@@H](C)[C@H](C)NC(=O)C(=O)Nc1ccc(N)cc1	841022238	QWXGSECNPGKLKB-ZJUUUORDSA-N	263.341	1.758	10	20	CDCD	
Cc1cccc(CN2CCNC[C@H]2c2nccn2C)c1O	843122423	SHXWCNHGBIGDGD-AWEZNQCLSA-N	286.379	1.581	10	20	CDCD	
COc1cccc(CN2CCNC[C@@H]2c2ccncc2)c1O	843120395	IUWIDUXKCLWOOG-OAHLLOKOSA-N	299.374	1.942	10	20	CDCD	
CN(CCF)Cc1ccc(N2CCOCC2)cc1	759332418	LYFOFYCUHJAAPY-UHFFFAOYSA-N	252.333	1.925	10	20	CDCD	
C[C@H]1CN(C2CC2)C[C@H]1NC(=O)NCc1ccccc1O	757663535	CBVROKSKVSKPSN-SMDDNHRTSA-N	289.379	1.674	10	20	CDCD	
O=C(c1cc(O)cs1)N1CC[C@H](N2CCOC2=O)C1	855500624	OUSFCHLQOZOGMJ-QMMMGPOBSA-N	282.321	1.120	10	20	CDCD	
C[C@@H]1[C@@H](CO)CCCN1C(=O)c1cc(O)cs1	854950412	JYLFPODBGJIQOE-RKDXNWHRSA-N	255.339	1.687	10	20	CDCD	
COCc1cc(C(=O)NCc2cc(C)ccc2O)no1	862760228	OFKQEXRVMPYLGP-UHFFFAOYSA-N	276.292	1.765	10	20	CDCD	
COC(=O)N(C)CCNC(=O)N[C@H](C)c1ccccc1O	868787144	QNVVFSDEUABLJG-SNVBAGLBSA-N	295.339	1.451	10	20	CDCD	
CN(Cc1cc2c(cc1O)OC[C@@H]2O)[C@@H]1CCSC1	768466319	YSXVPUUAGYEUKC-MFKMUULPSA-N	281.377	1.755	10	20	CDCD	
Cc1ccc(CN[C@@H]2CCN(C(C)C)C2=O)c(O)c1	877046884	RHJWQIVBHVKZMD-CYBMUJFWSA-N	262.353	1.800	10	20	CDCD	
Cc1cccc(O)c1CN1C[C@@](C)(CO)[C@@](C)(CO)C1	877657136	WPSWZYKVVHUHSA-IYBDPMFKSA-N	279.380	1.513	10	20	CDCD	
CN(C(=O)c1ncn(C(C)(C)C)n1)c1ccc(N)cc1	877074765	SBPFDGWQKPHIPS-UHFFFAOYSA-N	273.340	1.892	10	20	CDCD	
Cc1ccc(CNCc2nnnn2CC2CC2)c(O)c1	877399535	NEIFXGRJNSBOFS-UHFFFAOYSA-N	273.340	1.387	10	20	CDCD	
COC[C@@H](C)NCc1cc(OC)c(OC)cc1O	775804359	ITLDIMVSCQEZGP-SECBINFHSA-N	255.314	1.534	10	20	CDCD	
Cc1ccc(C(=O)N2CC[C@@H](O)[C@@H](C)C2)c(O)c1O	779270599	YCNHZFNGTISDKN-GXSJLCMTSA-N	265.309	1.249	10	20	CDCD	
Cc1cc(NS(=O)(=O)C[C@@H]2CCCOC2)ccc1O	788138964	HLUMCANPZXJOBH-LLVKDONJSA-N	285.365	1.869	10	20	CDCD	
Cc1cc(O)c(CN2C[C@H](O)C[C@@]2(C)CO)cc1C	895327876	DZTUFHNHOVGCQR-HIFRSBDPSA-N	265.353	1.327	10	20	CDCD	
NC(=O)C1CCN(Cc2cc(F)cc(F)c2O)CC1	893871414	JQDYFBQKMXYMKO-UHFFFAOYSA-N	270.279	1.368	10	20	CDCD	
COc1cc(C)cc(CNC2(CCO)CCOCC2)c1O	894137389	OTYLQQCZWHFEOK-UHFFFAOYSA-N	295.379	1.730	10	20	CDCD	
O=C(NCCn1cnc2ccccc21)c1cccc(O)c1O	790567362	GXWDJIIMRJONLP-UHFFFAOYSA-N	297.314	1.878	10	20	CDCD	
Cc1ccc(CNCCO[C@@H]2CCOC2)c(O)c1	897199505	HURGKBYYTZPBKS-CYBMUJFWSA-N	251.326	1.596	10	20	CDCD	
CN(C)c1ccc(CN2CCOC[C@@H]2C(=O)O)cc1	88381544	FRCHWACVMQFQAB-CYBMUJFWSA-N	264.325	1.038	10	20	CDCD	
COc1cccc(O)c1CNC[C@](C)(O)C(C)C	732817753	KCXZSIIQTFYXEM-AWEZNQCLSA-N	253.342	1.897	10	20	CDCD	
CCCCN(C)CCNC(=O)NCc1ccc(N)cc1	1336016987	GSYALNSLOXYPGJ-UHFFFAOYSA-N	278.400	1.800	10	20	CDCD	
C[C@H]1CCNC(=O)[C@@H]1NCc1ccc(N2CCCC2)cc1	1339876777	YRBWOUMFNSWQMU-XJKSGUPXSA-N	287.407	1.901	10	20	CDCD	
Nc1ccc(CNC(=O)[C@@H]2CSCCS2)cc1	1342701071	WVDCMUBSOIMWFF-NSHDSACASA-N	268.407	1.734	10	20	CDCD	
C[C@@H](C1CC1)N(C)C(=O)C(=O)N(C)Cc1ccccc1O	1344898213	UGJGTZFPKKROSM-NSHDSACASA-N	290.363	1.608	10	20	CDCD	
CC(C)n1nccc1C(=O)NCc1cccc(O)c1O	1348048049	SGATXSZEROECFV-UHFFFAOYSA-N	275.308	1.805	10	20	CDCD	
C[C@H](NC(=O)NCc1ccc(N)cc1)c1ccn(C)n1	1357434955	ODNJGPJMVSSUSV-JTQLQIEISA-N	273.340	1.563	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CC(C(F)(F)F)C1	1117756055	BPUHORRCDLOLSJ-UHFFFAOYSA-N	261.199	1.732	10	20	CDCD	
C[C@@H](NC(=O)[C@H]1NC(C)(C)O[C@@H]1C)c1ccccc1O	1576900832	XDKPOMFSHCQPMQ-BREBYQMCSA-N	278.352	1.682	10	20	CDCD	
CC[C@@H](C)N(CC(=O)O)C(=O)/C=C/c1ccc(O)c(O)c1	1594972520	WOEXBOOQWQMHID-BREXMAIKSA-N	293.319	1.823	10	20	CDCD	
C[C@@H]1C[C@H](NCc2cc3c(cc2O)OCO3)CCO1	219923321	PYVVNMCYZYWACT-MWLCHTKSSA-N	265.309	1.778	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCO[C@@H]2CCC[C@@H]21	126348753	MJTRGACPORYLIW-CMPLNLGQSA-N	263.293	1.491	10	20	CDCD	
CCc1cccc(CN[C@@H]2CCOC[C@H]2O)c1O	706753861	KCPUYNFJTBXICQ-CHWSQXEVSA-N	251.326	1.194	10	20	CDCD	
COC(=O)N1CCN(Cc2c(O)cccc2Cl)CC1	387335317	PBRKKLUPAYZBKE-UHFFFAOYSA-N	284.743	1.930	10	20	CDCD	
O=C(NCCCSc1nccs1)c1ccc[n+]([O-])c1	114374442	WZFLSOYVVXZXSO-UHFFFAOYSA-N	295.389	1.689	10	20	CDCD	
Cc1nc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)no1	184926459	WWCIYMGNFYLXOY-ZETCQYMHSA-N	277.280	1.150	10	20	CDCD	
Cn1nccc1/C=C1\SC(NC2CCCC2)=NC1=O	45110833	RTUWKYVNVCINKR-FLIBITNWSA-N	276.365	1.923	10	20	CDCD	
C[C@H]1NCCC[C@H]1C(=O)N(C)Cc1ccccc1O	288497982	BBTZWNVPKWYPHH-DGCLKSJQSA-N	262.353	1.739	10	20	CDCD	
COc1cccc(CN2CCS(=O)(=O)C[C@H](C)C2)c1O	192065878	NGJIYHMTEZUWIY-LLVKDONJSA-N	299.392	1.267	10	20	CDCD	
CCN1CCC(CNCc2cc3c(cc2O)OCO3)CC1	44517899	MDCWVBDJMWBOQH-UHFFFAOYSA-N	292.379	1.942	10	20	CDCD	
CC(C)N(C)C[C@@H](C)NC(=O)c1cccc(O)c1O	292028913	XLLHXAYPVHIARP-SNVBAGLBSA-N	266.341	1.556	10	20	CDCD	
CCN(C)C(=O)[C@@H](C)NC(=O)c1ccc(C)c(O)c1O	191639591	WWKFNJOZXSLOFX-SECBINFHSA-N	280.324	1.003	10	20	CDCD	
COC(=O)NCCCC(=O)NCCc1ccc(N)cc1	237271226	VXYGLFQMUVULGB-UHFFFAOYSA-N	279.340	1.064	10	20	CDCD	
Oc1cc2c(cc1CN1CCCN3CCC[C@H]3C1)OCO2	252972108	YWVOUIVRMUPHAE-ZDUSSCGKSA-N	290.363	1.791	10	20	CDCD	
CC[C@H](NCCN1C(=O)CNC1=O)c1ccc(C)cc1O	280284281	YUDTVDUJROXTIO-LBPRGKRZSA-N	291.351	1.293	10	20	CDCD	
CC[C@H]1CN(Cc2ccccc2O)C[C@H](C)S1(=O)=O	809725541	VVOLDQIYHUUSDN-AAEUAGOBSA-N	283.393	1.790	10	20	CDCD	
O[C@@H](CNCc1ccc(N2CC=CC2)cc1)Cn1cccn1	819094200	BMTBKHRXHBMJTH-KRWDZBQOSA-N	298.390	1.410	10	20	CDCD	
NC(=O)c1ccnc(Sc2nccs2)c1[N+](=O)[O-]	811748768	OIAOHHPGIHPYLV-UHFFFAOYSA-N	282.306	1.696	10	20	CDCD	
C[C@@H](NC(=O)CS(=O)(=O)C(C)(C)C)c1ccccc1O	827940850	JJWOCSRMJVOQDS-SNVBAGLBSA-N	299.392	1.783	10	20	CDCD	
COc1ccc(N(C)CCNC(=O)NC(C)C)cc1F	827995685	GXVTZMWSSZJRNJ-UHFFFAOYSA-N	283.347	1.978	10	20	CDCD	
CN(C)c1ccc(CNC(=O)C2=COCC2)cc1F	734124980	WRDLMVGTEQRBEY-UHFFFAOYSA-N	264.300	1.812	10	20	CDCD	
CC[C@H](C(=O)O)C(=O)NCc1ccc2c(c1)CCCN2C	911301500	LPVPZMXTNUAJEI-ZDUSSCGKSA-N	290.363	1.796	10	20	CDCD	
NC[C@@H](NCc1cc(Br)ccc1O)C1CC1	841027434	BAWPSASUZCKWBH-LLVKDONJSA-N	285.185	1.982	10	20	CDCD	
NC(=O)c1ccc(C(=O)NCc2ccccc2O)s1	749941860	QLXKDMVSMYRMHU-UHFFFAOYSA-N	276.317	1.483	10	20	CDCD	
CN(C)c1ccc([C@H](N)CNC(=O)C[C@H]2CCCN2)cc1	841846061	JKWPYEQWQJCFSZ-UKRRQHHQSA-N	290.411	1.011	10	20	CDCD	
CNC[C@@H]1C[C@H](F)CN1Cc1cccc(OC)c1O	843122797	UZZFINPUMAAQNH-RYUDHWBXSA-N	268.332	1.533	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H](C)CCN)c1O	841051749	QYBSYEGYRILLHK-QMMMGPOBSA-N	269.301	1.136	10	20	CDCD	
NC[C@@H]1CCCC[C@@H]1NC(=O)NCCc1ccc(N)cc1	841952009	YVPNTYYMPQFUNG-ZFWWWQNUSA-N	290.411	1.628	10	20	CDCD	
Nc1ccc(CCNC(=O)NCCCn2cccn2)cc1	841675783	IZQCQLFIOKFTTO-UHFFFAOYSA-N	287.367	1.397	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)N[C@H]2CCNC2)c1	841941148	KWMUPRZQLUXAGL-ZJUUUORDSA-N	279.340	1.123	10	20	CDCD	
CC(=O)N[C@H](C(=O)NCc1cc(Cl)ccc1O)C(C)C	846478331	BSWRGXTURPJACA-ZDUSSCGKSA-N	298.770	1.823	10	20	CDCD	
CN(C)c1ccc([C@@H](N)CNC(=O)CC2(N)CCC2)cc1	841846045	JHNIINHYIOOBQW-AWEZNQCLSA-N	290.411	1.140	10	20	CDCD	
O=c1c2ccccc2nc(O)n1Cc1ccccc1O	752710335	WESCOLOZDAZKEL-UHFFFAOYSA-N	268.272	1.856	10	20	CDCD	
CCC1(O)CN(C(=O)c2ccc(C)c(O)c2O)C1	854380512	NFYXQWLTOMWXDF-UHFFFAOYSA-N	251.282	1.003	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)c1cnc2[nH]cnc2c1	764848837	LLLWOZIJOHHPRT-UHFFFAOYSA-N	298.302	1.342	10	20	CDCD	
COc1ccc(CNC(=O)C2(C(C)C)COC2)c(O)c1	935770341	ARIUEDQSOCFVAI-UHFFFAOYSA-N	279.336	1.690	10	20	CDCD	
CCN1CC(=O)N[C@H]1c1cc(F)c(N(C)C)cc1F	864387427	PVQHDEWHKHEYMM-CYBMUJFWSA-N	269.295	1.481	10	20	CDCD	
CCOc1ccc(N(C)C[C@H](O)CO[C@@H](C)COC)cc1	773753611	LKXGZNBULQSYJB-ZFWWWQNUSA-N	297.395	1.934	10	20	CDCD	
C[C@H]1CCN(C(=O)NCc2ccc(N)cc2)C[C@@H]1CO	1120584562	NBVWXUXGFIBLHL-WCQYABFASA-N	277.368	1.429	10	20	CDCD	
CC(=O)OC[C@@H](C)NCc1ccc(N2CCOCC2)cc1	892667919	DIPZMIPWHHSPKJ-CYBMUJFWSA-N	292.379	1.564	10	20	CDCD	
COc1ccc(CN2CCn3cnnc3C2)c(O)c1OC	891976834	RQPTVUREXHFYAM-UHFFFAOYSA-N	290.323	1.017	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC2CCN(C=O)CC2)c1	894501644	DYQNFSMSAUCQLU-NSHDSACASA-N	278.352	1.672	10	20	CDCD	
COc1ccc(CNC(=O)/C=C/SC)c(O)c1	794389605	ARQBPPODKVUIMZ-AATRIKPKSA-N	253.323	1.894	10	20	CDCD	
COc1ccc(CNC(=O)c2ccc(O)nc2C)c(O)c1	794387388	FXFILLRJRNWVIF-UHFFFAOYSA-N	288.303	1.740	10	20	CDCD	
COc1ccc(CNC(=O)NCCn2ccnc2)c(O)c1	792796182	ZALFIAHEIQDHCO-UHFFFAOYSA-N	290.323	1.097	10	20	CDCD	
CCOc1ccc(CNCC2(S(C)(=O)=O)CC2)c(O)c1	793281707	UPBGILAFYAWAOS-UHFFFAOYSA-N	299.392	1.458	10	20	CDCD	
CC1=CCCN(Cc2cc3c(cc2O)OC[C@@H]3O)C1	797822205	MABSZLFSNKKREW-AWEZNQCLSA-N	261.321	1.970	10	20	CDCD	
COc1nc(Cl)c(/C=C2/SC(=S)NC2=O)n1C	1318372092	HOZZXOPJDOOZAX-HWKANZROSA-N	289.769	1.571	10	20	CDCD	
O=C(O[C@H]1CCN(C2CC2)C1=O)c1cc(O)cs1	1319383294	LCAZJQNHVFPAQM-VIFPVBQESA-N	267.306	1.374	10	20	CDCD	
C[C@@H](NCCCOCCO)c1cc(F)ccc1O	186514608	HPQLQOURCLZFLW-SNVBAGLBSA-N	257.305	1.581	10	20	CDCD	
CON1CCC(NCc2cc(F)cc(F)c2O)CC1	708516085	DNVYFQMQNSNQAT-UHFFFAOYSA-N	272.295	1.786	10	20	CDCD	
COc1ccc(O)c([C@@H](C)N[C@H]2CCCS(=O)(=O)C2)c1	69141384	SDZDVCFVEXZGSS-MNOVXSKESA-N	299.392	1.629	10	20	CDCD	
COc1cccc(CNC[C@@H]2CCCCS2(=O)=O)c1O	694596110	KSYAERWTEIOPGK-LBPRGKRZSA-N	299.392	1.458	10	20	CDCD	
CC1(C)CCN(Cc2ccc(N)cc2)CCS1(=O)=O	1336116134	BUIZMKUKBNXLOZ-UHFFFAOYSA-N	282.409	1.668	10	20	CDCD	
COc1cccc(CN[C@H]2CCN(C)[C@H](C)C2)c1O	90721539	JLYQHVNTVKHADE-YPMHNXCESA-N	264.369	1.973	10	20	CDCD	
CN1c2ccccc2C(=O)N[C@H]1c1cc(O)ccc1O	1337561711	CPXSCJUUWGQKOZ-CQSZACIVSA-N	270.288	1.976	10	20	CDCD	
C[C@H](NCCc1ccnn1C)c1cc(C(=O)O)ccc1O	1609779575	MVURUYDQOQXGRL-JTQLQIEISA-N	289.335	1.717	10	20	CDCD	
O=C(O)[C@H](CC(F)F)NCc1cc(F)ccc1O	1601639032	FFXYSZGUILAKGQ-QMMMGPOBSA-N	263.215	1.729	10	20	CDCD	
Cn1nccc1[C@H](NCc1cccc(Cl)c1O)C(=O)O	1608164755	WNUJLFUNUYSVQF-NSHDSACASA-N	295.726	1.695	10	20	CDCD	
Cn1ncc(C(=O)O)c1CNCc1c(O)cccc1F	1605556185	XXDICNNNCWOQHC-UHFFFAOYSA-N	279.271	1.253	10	20	CDCD	
COC(=O)COc1ccc(N(C)CC[C@@H]2CCNC2)cc1	1578813483	PWOOPAHRNSHYSX-ZDUSSCGKSA-N	292.379	1.674	10	20	CDCD	
NC(=O)COc1ccc(CNCc2ccc(N)cc2)cc1	1580094029	NMNJZPKQYPCUMZ-UHFFFAOYSA-N	285.347	1.423	10	20	CDCD	
C[C@H](NC[C@@](C)(O)C1CC1)c1cc(C(=O)O)ccc1O	1593239260	CYMKYASSZBDGKU-BJOHPYRUSA-N	279.336	1.902	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2[C@@H](C(=O)O)C1CC1	1593714828	QNVLSHPAPIEWQV-CQSZACIVSA-N	276.336	1.815	10	20	CDCD	
C[C@H](NCCCC(=O)N(C)C)c1cc(C(=O)O)ccc1O	1593265620	VFJAUDFOESXMFH-JTQLQIEISA-N	294.351	1.609	10	20	CDCD	
CC(C)Oc1ccc(N(C)CC(=O)NCCC(=O)O)cc1	1591778403	ZFRDYKKMAZBGCC-UHFFFAOYSA-N	294.351	1.501	10	20	CDCD	
COc1ccc(O)c(CNc2ncc(C(=O)O)c(C)n2)c1	1777367704	RIFXEDVHXGNUGD-UHFFFAOYSA-N	289.291	1.810	10	20	CDCD	
COc1ccc(CNC2(C(N)=O)CCCC2)cc1C	930001568	VGMJJCDVNRALSC-UHFFFAOYSA-N	262.353	1.891	10	20	CDCD	
COc1cccc(CN[C@@H](C)Cn2cccn2)c1O	37155504	KOLLYGRYSAUCTO-NSHDSACASA-N	261.325	1.776	10	20	CDCD	
COc1ccc(O)c(CN2CC[C@H](C)[C@@H](CN)C2)c1	163486471	HBBXTSLMFPTHAG-AAEUAGOBSA-N	264.369	1.818	10	20	CDCD	
C[C@@H](NCc1cc(F)ccc1O)c1ncn(C)n1	276302666	UYCGNDJOSPNIGK-MRVPVSSYSA-N	250.277	1.511	10	20	CDCD	
O=C(NC[C@H](CC1CC1)C(=O)O)c1cccc(O)c1O	405676964	LHQBIQXJXMHDNC-VIFPVBQESA-N	279.292	1.329	10	20	CDCD	
C[C@@H]1CC[C@@H](CNC(=O)c2cccc(O)c2O)O1	398114413	TYNHPOIZMUUOLQ-BDAKNGLRSA-N	251.282	1.395	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@H](N)C2CCC2)cc1	399107934	JEJZSCMVHFJAQD-CQSZACIVSA-N	261.369	1.496	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C1=COCCO1	27388189	LDCKAGFNAARZEO-UHFFFAOYSA-N	276.336	1.599	10	20	CDCD	
CC(=O)c1cc(Cl)cc(CN2CC[C@@H](O)C2)c1O	61710880	UNESZMWBITUMAQ-LLVKDONJSA-N	269.728	1.815	10	20	CDCD	
CC(C)(C)[S@](=O)CCNC(=O)NCc1ccccc1O	76977088	QMLGBXKSNWQAPR-FQEVSTJZSA-N	298.408	1.739	10	20	CDCD	
CS(=O)(=O)[C@H]1CCN(Cc2cccc(Cl)c2O)C1	282660992	GRMLOMDTZRMPPQ-JTQLQIEISA-N	289.784	1.665	10	20	CDCD	
Cc1ccc(C(=O)N[C@H]2CCc3[nH]ncc3C2)c(O)c1O	182445343	UBHATOUFVYHIBF-JTQLQIEISA-N	287.319	1.417	10	20	CDCD	
CC[C@H](C)OCC(=O)NCc1ccc(O)c(O)c1	182510409	OXBQYNTZSSJZJQ-VIFPVBQESA-N	253.298	1.529	10	20	CDCD	
CC[C@H](C(N)=O)N1CCOc2cc(N(C)C)ccc21	130427839	VRRBDFZGMFNFDK-LLVKDONJSA-N	263.341	1.215	10	20	CDCD	
CN1CCN(c2ccc(CNC(=O)N(C)C)cc2)CC1	49740670	ATTGMTOEWDXILD-UHFFFAOYSA-N	276.384	1.210	10	20	CDCD	
CCOC(=O)NCC(=O)NCc1ccc(N(C)C)cc1	42383827	GDDPHENVBKCOOW-UHFFFAOYSA-N	279.340	1.115	10	20	CDCD	
CN1C(=O)C(=CNC2CCCCCC2)C(=O)N(C)C1=O	48403101	QBLLMPMBIYKXNH-UHFFFAOYSA-N	279.340	1.233	10	20	CDCD	
CSC1(C(=O)NCCc2ccc(O)c(O)c2)CC1	190718751	YKWGZOUTUMPHLI-UHFFFAOYSA-N	267.350	1.652	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccon1	193968103	JRUCMHBHVDOPBJ-MRVPVSSYSA-N	277.280	1.839	10	20	CDCD	
COC(=O)NC(C)(C)C(=O)NCCc1ccc(N)cc1	237265114	FSDQCQIFGMZJEQ-UHFFFAOYSA-N	279.340	1.062	10	20	CDCD	
CCC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(N)cc1	236763696	RXIZVJPWEYBNIY-LLVKDONJSA-N	279.365	1.519	10	20	CDCD	
C[C@@H](NC1CC1)C(=O)NCc1ccc(N(C)C)cc1	294852769	VCNRILGFLZNNSR-LLVKDONJSA-N	261.369	1.509	10	20	CDCD	
COc1cccc(CNC(=O)NCc2ccncc2)c1O	97595835	IAHQMNGITHYJGL-UHFFFAOYSA-N	287.319	1.795	10	20	CDCD	
C[C@@H]1CCN(C(=O)c2cccc(O)c2O)C[C@H]1CO	700389430	IIBALSNIFXMZHQ-ZJUUUORDSA-N	265.309	1.188	10	20	CDCD	
C[C@@H]1O[C@H](C)[C@@H](C(=O)NCCc2ccc(O)c(O)c2)[C@@H]1C	528858290	STFSIEUYAVXUFL-RSQPEXBXSA-N	293.363	1.816	10	20	CDCD	
C[C@H](NC[C@@H](O)C(F)(F)F)c1cc([N+](=O)[O-])ccc1O	273429303	VFLKYYKEMUQFQO-QUBYGPBYSA-N	294.229	1.874	10	20	CDCD	
CC[C@H](CO)N[C@H](C)c1cc([N+](=O)[O-])ccc1O	273415838	QWKONFHOOWVLRI-RKDXNWHRSA-N	254.286	1.722	10	20	CDCD	
CCC[C@@](C)(NC(=O)c1ccc(C)c(O)c1O)C(=O)OC	271335610	ZMUXQJSDWNKBKX-OAHLLOKOSA-N	295.335	1.868	10	20	CDCD	
Cc1cc(CNCc2cc([N+](=O)[O-])ccc2O)n(C)n1	283994385	OZRLXGIHZPQUIH-UHFFFAOYSA-N	276.296	1.632	10	20	CDCD	
C[C@@H](CCN(C)C)NC(=O)N(C)Cc1ccccc1O	299345849	GQDUJHVOUCUYPH-LBPRGKRZSA-N	279.384	1.874	10	20	CDCD	
CC1(C)C[C@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1O	299081624	JSDFHVJSAUQVTD-LLVKDONJSA-N	298.364	1.292	10	20	CDCD	
CC(=O)C(=O)COC(=O)CCC(=O)c1ccccc1	808487277	ZBIRDEAVOUWLNJ-UHFFFAOYSA-N	262.261	1.351	10	20	CDCD	
Cc1cc(Cn2cnnc2[S@](C)=O)ccc1N(C)C	814746878	FCOCYOPJBGDGHI-IBGZPJMESA-N	278.381	1.438	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)N[C@@H]2CCNC2)c1	817944796	MJYCFTBHWYCJGF-MWLCHTKSSA-N	264.325	1.191	10	20	CDCD	
CCN[C@H](C)CN[C@H](C)c1cc([N+](=O)[O-])ccc1O	817972732	OEMTZLRNZTYCPB-NXEZZACHSA-N	267.329	1.949	10	20	CDCD	
COc1ccc(O)c(CNC(=O)C[C@@H](C)n2cccn2)c1	819397335	AMTDXYSELXMKIC-LLVKDONJSA-N	289.335	1.865	10	20	CDCD	
COCC1(NCc2ccc3c(c2)CCO3)CCOCC1	814301868	HKLSFNAGSASGIY-UHFFFAOYSA-N	277.364	1.907	10	20	CDCD	
C[C@@H](NC(=O)[C@@H]1CC[C@@H]1C(N)=O)c1ccccc1O	827946859	TYLURIXSIUFJBN-DVVUODLYSA-N	262.309	1.081	10	20	CDCD	
C[C@@H](NCC1(N)CC1)c1ccc(N2CCOCC2)c(F)c1	902417722	ZJJLTHQKKUFLAF-GFCCVEGCSA-N	293.386	1.804	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CCN[C@H]1C	829764742	VUWYXIMYVPBQIL-WFASDCNBSA-N	275.396	1.675	10	20	CDCD	
COCC1(O)CN(Cc2cc(Cl)cc(F)c2O)C1	839142090	BGIACJAQESRVQB-UHFFFAOYSA-N	275.707	1.378	10	20	CDCD	
CCO[C@H]1C[C@@H](NC(=O)/C=C\c2ccc(O)c(O)c2)C1	837736704	TVQAXCZGGCADRD-STNZKUDTSA-N	277.320	1.795	10	20	CDCD	
CN(C)c1ccc(CNCC2(C(=O)O)CC2)cc1F	901503566	DUWCUBPHUZUGFY-UHFFFAOYSA-N	266.316	1.846	10	20	CDCD	
CO[C@@H]1COC[C@@H]1NCc1c(O)ccc(Cl)c1F	839194510	BGEBHFWXWWKPHY-GXSJLCMTSA-N	275.707	1.688	10	20	CDCD	
CN(C)c1ccc([C@H](N)CNC(=O)C[C@@H]2CCOC2)cc1	832273359	NPOCTBLQTGRZMS-SWLSCSKDSA-N	291.395	1.295	10	20	CDCD	
CC[C@@H](O)[C@@H](C)C(=O)NCc1ccc(O)cc1O	910942989	JKBATIBNNGZTEO-LDYMZIIASA-N	253.298	1.121	10	20	CDCD	
COc1cccc(O)c1CNCCCNC1CC1	841093065	QFCWGPPXYQNZMX-UHFFFAOYSA-N	250.342	1.633	10	20	CDCD	
C[C@H](N)[C@H]1CCCCN1Cc1cc2c(cc1O)OCO2	843045909	LSURCZVODUNGJM-CMPLNLGQSA-N	278.352	1.823	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H](C)N	841985514	OJUQGLJLOWAVHL-LBPRGKRZSA-N	278.400	1.631	10	20	CDCD	
Cn1cccc1CNC(=S)Nc1ccc(C(N)=O)cc1	743061290	HQBRFOILGZZSHZ-UHFFFAOYSA-N	288.376	1.611	10	20	CDCD	
Oc1c(F)cccc1CN1CC[C@@H]2NCC[C@@H]2C1	843127495	RRFQFIXYBNAJFS-MFKMUULPSA-N	250.317	1.715	10	20	CDCD	
CCOc1ccc(CN2CCC[C@H](NC)C2)c(O)c1	843048757	WAYCQEAXRPBQAU-ZDUSSCGKSA-N	264.369	1.975	10	20	CDCD	
CCCNCCNCc1cccc(OCC)c1O	841047298	ZKSSAQVGUOBHOI-UHFFFAOYSA-N	252.358	1.880	10	20	CDCD	
CN(C)c1ccc(CN[C@@H]2[C@H]3C[C@@H]4CN[C@@H]2[C@H]4C3)cc1F	925530154	OKEVKSHHHBKYCU-CMSWKTDVSA-N	289.398	1.978	10	20	CDCD	
Cc1cc(CN2CC[C@@H]3CNC[C@@H]32)ccc1N(C)C	923360089	GXULDTOSYIWZJW-ZBFHGGJFSA-N	259.397	1.855	10	20	CDCD	
N[C@@]12CCC[C@@H]1CN(Cc1cccc(F)c1O)C2	857226404	NDFLKVSOGLFNAK-BXUZGUMPSA-N	250.317	1.845	10	20	CDCD	
O=C(NCc1cc(Cl)ccc1O)c1nc[nH]n1	857547628	NBRJOBZIVBFEFL-UHFFFAOYSA-N	252.661	1.094	10	20	CDCD	
CO[C@@H]1COC[C@@H]1N[C@H](C)c1ccc(N(C)C)cc1	840825604	YAGWUWOGRSEZBI-BYCMXARLSA-N	264.369	1.817	10	20	CDCD	
C[C@H](CCNC(=O)c1cccc(O)c1O)N(C)C	697367691	KJKQIIQWUSRSBR-SECBINFHSA-N	252.314	1.168	10	20	CDCD	
CN(C)c1ccc(CN(C)C2CC(O)C2)cc1F	761222192	IUPYCJIOFJANCP-UHFFFAOYSA-N	252.333	1.847	10	20	CDCD	
CCN(CC)c1ccc(CN(CCO)CCO)cc1F	862429088	AMRKIRBBWDCNKR-UHFFFAOYSA-N	284.375	1.459	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](O)C(C)(C)C	773766977	FLPMEKWYXZOJQH-ZANVPECISA-N	281.352	1.552	10	20	CDCD	
CONC(=O)C1CCN(Cc2ccc(C)cc2O)CC1	877785560	ZQHODQPURMDQDR-UHFFFAOYSA-N	278.352	1.590	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1CCN(C)C[C@@H]1CO	877645006	XWTCEPIDJBJDIX-MRXNPFEDSA-N	277.412	1.169	10	20	CDCD	
C[C@H]1C(=O)NCCN1Cc1cc(Cl)cc(F)c1O	775666349	WFBVCTHRLLJODJ-ZETCQYMHSA-N	272.707	1.505	10	20	CDCD	
CC(C)(C)C(=O)COC(=O)c1cccc(O)c1O	776281814	KVBOLGOQBONHEJ-UHFFFAOYSA-N	252.266	1.870	10	20	CDCD	
COC[C@H](C)OC(=O)/C=C/c1ccc(O)c(O)c1	784286775	NMYUXLMUXOCWIE-DNQSNQRASA-N	252.266	1.689	10	20	CDCD	
COC(=O)[C@@H]1CCCN1C(=O)c1ccc(C)c(O)c1O	780880732	YQTSZGHPNCEMGD-JTQLQIEISA-N	279.292	1.184	10	20	CDCD	
COC[C@@H](C)NCc1ccc(OC)c(OC)c1O	892443881	LNKOXYJNORHXGT-SECBINFHSA-N	255.314	1.534	10	20	CDCD	
Cc1ccc(C(=O)N2CCC[C@@H]([C@@H](C)O)C2)c(O)c1O	780985816	HIOYKKMQTRZQIK-GHMZBOCLSA-N	279.336	1.639	10	20	CDCD	
CCOC(=O)[C@@H](C[C@H]1CCCO1)NCc1ccccc1O	895865023	RJBXOGSABYHWGD-ZIAGYGMSSA-N	293.363	1.983	10	20	CDCD	
C[C@H](NC(=O)c1cc(O)cs1)C(=O)N1CCCC1	799103104	ADNCBWOKOLFSGT-QMMMGPOBSA-N	268.338	1.194	10	20	CDCD	
COc1ccc(CNC(=O)NO[C@H]2CCCCO2)c(O)c1	793159413	OCBNPHFIDKHJGY-ZDUSSCGKSA-N	296.323	1.658	10	20	CDCD	
COc1ccc(CNS(=O)(=O)c2ccco2)c(O)c1	795363488	ZAZRAVNWSFTMMD-UHFFFAOYSA-N	283.305	1.472	10	20	CDCD	
CC(C)[C@H](N)C(=O)N(C)Cc1ccc(N(C)C)cc1	37801151	GRALFOZJMNNENB-AWEZNQCLSA-N	263.385	1.694	10	20	CDCD	
CC[C@H](C)[C@H](O)CNC(=O)c1cccc(O)c1O	185855203	LHPIZKHRAALBJK-GZMMTYOYSA-N	253.298	1.235	10	20	CDCD	
CC(=O)CN(C(=O)c1cccc(O)c1O)C(C)C	1329954434	YIARRXJWISSEQE-UHFFFAOYSA-N	251.282	1.537	10	20	CDCD	
Cc1nnc(O)c(CNC(=O)c2cc(O)cs2)c1C	1330741032	OYKTZGMPAAZMDN-UHFFFAOYSA-N	279.321	1.496	10	20	CDCD	
Nc1ccc(CNC(=O)NCC2(N)CCCCC2)cc1	1336239088	ITNUIAPYXNYFKP-UHFFFAOYSA-N	276.384	1.730	10	20	CDCD	
C[C@@H](NCc1nnnn1C1CC1)c1ccccc1O	775137034	QLYKBNJCUODGAL-SECBINFHSA-N	259.313	1.564	10	20	CDCD	
COc1cccc(S(=O)(=O)NCc2ccccc2O)c1	795113251	YWNPRUJIWWBBTK-UHFFFAOYSA-N	293.344	1.879	10	20	CDCD	
CN(C)c1ccc(CNC(=O)C(=O)NCC2(C)CC2)cc1	1342600671	CPVSCGYMNRSYGW-UHFFFAOYSA-N	289.379	1.285	10	20	CDCD	
C[C@@H](CC(=O)NCc1cccc(O)c1O)n1cccn1	1263894724	SSCPUENADRJUSX-JTQLQIEISA-N	275.308	1.562	10	20	CDCD	
Cn1cc(CCC(=O)NCc2cccc(O)c2O)cn1	1521852065	RXISLFGSAPGHHG-UHFFFAOYSA-N	275.308	1.080	10	20	CDCD	
CC[C@@H](COC)N[C@H](C)c1cccc(-c2nn[nH]n2)c1O	1604039109	GFKQKSHILMREAU-ZJUUUORDSA-N	291.355	1.648	10	20	CDCD	
COCCN(CC(=O)O)Cc1c(O)cc(C)cc1Cl	1604592484	DWHZYKVHLHFGFN-UHFFFAOYSA-N	287.743	1.887	10	20	CDCD	
COC[C@]1(C(=O)O)CCN(C(=O)c2cc(O)cs2)C1	1604534309	RQSMYEKIYPWFAI-LBPRGKRZSA-N	285.321	1.017	10	20	CDCD	
CC(=O)C(=O)CSc1nc(C)cc(C)c1-c1nn[nH]n1	1602912477	REBVJLYQJQANND-UHFFFAOYSA-N	291.336	1.129	10	20	CDCD	
Cc1ccc(C(=O)N(CCC(=O)O)CC(C)C)c(O)c1O	1610484032	MZNMBSXTCLSHDJ-UHFFFAOYSA-N	295.335	1.979	10	20	CDCD	
C[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C(=O)O	1574062925	JZLLUOFYJLVZMJ-ZCFIWIBFSA-N	264.241	1.052	10	20	CDCD	
CCc1cccc(CN2CC[C@@](COC)(C(=O)O)C2)c1O	1593642437	NOWRLOPQFGKXSZ-MRXNPFEDSA-N	293.363	1.878	10	20	CDCD	
O=C(NCc1ccccc1O)c1coc(-c2nn[nH]n2)c1	1593145346	LINOMJCJGNRZEN-UHFFFAOYSA-N	285.263	1.095	10	20	CDCD	
C[C@@H](NC(=O)CCn1cccn1)c1ccccc1O	827923193	LHYRWCFKJRESTK-LLVKDONJSA-N	259.309	1.856	10	20	CDCD	
COC[C@@H](CNCc1cc(Cl)cc(OC)c1O)OC	230935750	ROLOOMYBRWWKCK-LLVKDONJSA-N	289.759	1.805	10	20	CDCD	
COc1cc(CNC(=O)c2cccc(O)c2O)ccn1	126398167	WFKDBGXNXIBSIF-UHFFFAOYSA-N	274.276	1.431	10	20	CDCD	
CCn1cc(CNCc2cc3c(cc2O)OCO3)cn1	265581008	YHQRMQDQHLSUEP-UHFFFAOYSA-N	275.308	1.627	10	20	CDCD	
CC(C)NCCC(=O)NCc1ccc(N(C)C)cc1	40825905	WJINDPKTDMHHLF-UHFFFAOYSA-N	263.385	1.757	10	20	CDCD	
COCC[C@H](CO)N[C@H](C)c1ccc(N(C)C)cc1	281524107	HVBIELBKWZEIII-TZMCWYRMSA-N	266.385	1.801	10	20	CDCD	
CCN(CC)c1ccc(CNCCS(=O)(=O)NC)cc1	190311459	KSEKSUUVWJRGMA-UHFFFAOYSA-N	299.440	1.172	10	20	CDCD	
COc1cccc(CN[C@H](C)c2n[nH]c(C)n2)c1O	392360462	ASOOXSOJDJPLHY-MRVPVSSYSA-N	262.313	1.678	10	20	CDCD	
Oc1ccc(F)cc1CN1CC[C@@H]2NCC[C@H]2C1	386482249	INJSJFVKZOEIPW-GWCFXTLKSA-N	250.317	1.715	10	20	CDCD	
CCOc1cccc(CN(C)[C@H]2CCNC2=O)c1O	770384875	ZPOTYCUSBPJFQI-NSHDSACASA-N	264.325	1.111	10	20	CDCD	
COCCN(CCN(C)C)C(=O)c1ccc(C)c(O)c1O	179482367	KGEZIHZALCTJCS-UHFFFAOYSA-N	296.367	1.056	10	20	CDCD	
Cc1c(/C=C/C(=O)N(C)c2cnn(C)c2)cnn1C	123438165	XPHGEQQJMPLYGK-AATRIKPKSA-N	259.313	1.138	10	20	CDCD	
Nc1ccc(CCNC(=O)[C@H]2CCCS2)cc1	70435465	RWZKHVSWMJPISL-GFCCVEGCSA-N	250.367	1.823	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NC[C@H]1CCCO1	180581949	YJCYRMIXQRIOAQ-DUMNWFOQSA-N	263.293	1.406	10	20	CDCD	
CC[C@](C)(CCO)NC(=O)c1ccc(C)c(O)c1O	183001395	GYNRROZAIUPEPK-CQSZACIVSA-N	267.325	1.687	10	20	CDCD	
CCOC(=O)[C@@H](C)NCc1ccc(N(C)C)cc1	49368924	FOZSXUGXZYWWEV-LLVKDONJSA-N	250.342	1.794	10	20	CDCD	
CC(C)Oc1ccc(N(C)CCCS(N)(=O)=O)cc1	191591245	LQHKFYSBEGCKJT-UHFFFAOYSA-N	286.397	1.589	10	20	CDCD	
Nc1ccc(CC(=O)NCCCNC(=O)C2CCC2)cc1	238111509	GFNMMIIUYXINAA-UHFFFAOYSA-N	289.379	1.234	10	20	CDCD	
CCS(=O)(=O)C[C@@H](C)N(C)Cc1cc(F)ccc1O	180157948	QTTUROQKOSBFIS-SNVBAGLBSA-N	289.372	1.786	10	20	CDCD	
C[C@@H](NC(=O)C(C)(C)N)c1ccc(N2CCOCC2)cc1	237481773	NTJPDIPSCKHVOQ-GFCCVEGCSA-N	291.395	1.438	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)[C@H]2CCNC2)cc1F	236913207	JQPUKDDYBOEOCB-ZDUSSCGKSA-N	293.386	1.898	10	20	CDCD	
CC[C@@H](NC[C@H]1COCCN1)c1ccc(F)cc1O	530221130	CVQBLSZVJAMUGW-WCQYABFASA-N	268.332	1.560	10	20	CDCD	
CCCCOC(=O)CNC(=O)c1ccc(C)c(O)c1O	272534545	AZXUFCRZPLTBHN-UHFFFAOYSA-N	281.308	1.479	10	20	CDCD	
CCS(=O)(=O)NCc1cccc(Br)c1O	277434656	CYACVDBESFZDMY-UHFFFAOYSA-N	294.170	1.594	10	20	CDCD	
C[C@H](NC[C@H]1CN(C)CCN1C)c1cc(Cl)ccc1O	273610931	VTWVESFEYFFBDP-AAEUAGOBSA-N	297.830	1.942	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)c1cnnn1C	282850463	SZVBBSPHOSZCBW-UHFFFAOYSA-N	274.324	1.573	10	20	CDCD	
COc1cccc(CNC(=O)[C@@H](OC)C2CC2)c1O	281676771	UIANIGUBIFCBMS-ZDUSSCGKSA-N	265.309	1.442	10	20	CDCD	
CCCOc1ccc(CNCc2cnnn2C)c(O)c1	288421155	JRXKYLNPIJZGQF-UHFFFAOYSA-N	276.340	1.599	10	20	CDCD	
COC(=O)c1ccc(OCC(=O)C(C)=O)c(OC)c1	288290463	BJMZVJJVOMDPRY-UHFFFAOYSA-N	266.249	1.019	10	20	CDCD	
CCCN(C)C(=O)C(=O)NCc1ccc(N(C)C)c(F)c1	285726732	NSUDIMMHRJZLIR-UHFFFAOYSA-N	295.358	1.376	10	20	CDCD	
CCN1CCCC[C@@H]1CNC(=O)c1c(F)ccc(O)c1O	294819501	GOUCDIPPWYHJCG-SNVBAGLBSA-N	296.342	1.841	10	20	CDCD	
CC(C)CS(=O)(=O)CC(=O)NCc1ccccc1O	299571844	PPMAHVSMWSWIDM-UHFFFAOYSA-N	285.365	1.079	10	20	CDCD	
CC(C)(C(=O)Nc1ccc(N)cc1)S(=O)(=O)C1CC1	818556268	GXCDHDFWMQQSSW-UHFFFAOYSA-N	282.365	1.563	10	20	CDCD	
Cc1cccc(CN2CC[C@H]3NC(=O)CC[C@@H]3C2)c1O	827133321	SPZCJGXMEFIKOK-TZMCWYRMSA-N	274.364	1.801	10	20	CDCD	
CNC(=O)C[C@H](C)NCc1cc(Cl)c(C)cc1O	826084112	UBWCHISIVFLKMG-VIFPVBQESA-N	270.760	1.968	10	20	CDCD	
Nc1ccc(CC(=O)NCc2cc3c(nc2O)CCC3)cc1	829539088	XPWVYWAZELDVEV-UHFFFAOYSA-N	297.358	1.717	10	20	CDCD	
CN(C)c1ccc(CN[C@H](CO)C2CC2)cc1F	734163178	BKPUSOVCKZSEDC-CYBMUJFWSA-N	252.333	1.752	10	20	CDCD	
COC[C@@H](OC)C(=O)NCc1ccc2c(c1)CCCN2C	824682984	REXRVINHKUWMBI-OAHLLOKOSA-N	292.379	1.347	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)CN1CCOC1=O	902038213	OWBJVMYMPGYULP-UHFFFAOYSA-N	263.341	1.594	10	20	CDCD	
O=C(NC[C@@H](O)c1ccccc1)c1cc(O)cs1	731866100	QPGWGGFDQGLPEI-LLVKDONJSA-N	263.318	1.917	10	20	CDCD	
O=C(c1c(F)ccc(O)c1O)N1CCC[C@@H]2C[C@@H]21	831818720	OEJZYVTVGAOOMA-APPZFPTMSA-N	251.257	1.861	10	20	CDCD	
CCc1cccc(CN[C@@H](C(=O)OC)C2CC2)c1O	848906415	UWYQMTFRRZASJQ-CYBMUJFWSA-N	263.337	1.996	10	20	CDCD	
CN1c2ccccc2C(=O)N[C@H]1c1cccc(O)c1O	916231916	BAAGWUYAUSEHNO-CQSZACIVSA-N	270.288	1.976	10	20	CDCD	
c1cc(N2CCOCC2)ccc1CN1CC[C@@H]2CNC[C@@H]21	841026653	NLDTUHAUINPXOD-WBVHZDCISA-N	287.407	1.317	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1CCN2C(=O)CC[C@H]2C1	840913172	STOARYONUNXARU-INIZCTEOSA-N	287.407	1.868	10	20	CDCD	
CN1CCCN=C1NCc1ccc(N(C)C)c(F)c1	848998968	NRKFYHVKHLZJKU-UHFFFAOYSA-N	264.348	1.673	10	20	CDCD	
COc1cccc(CN[C@@H]2CCC[C@H](N)C2)c1O	841055296	MWZNBNXATDXCHV-NWDGAFQWSA-N	250.342	1.760	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1CC[C@H](CC(N)=O)C1	840945635	RULURFFZPCIBPS-CYBMUJFWSA-N	275.396	1.758	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNCCCNC2CC2)c1O	841089706	KEKVGHWSPRMLDO-UHFFFAOYSA-N	295.339	1.541	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N[C@H]2CC[C@H](CN)C2)cc1	841654998	QWLPZMYPBUETSV-KBPBESRZSA-N	290.411	1.679	10	20	CDCD	
NC[C@@H]1CC[C@H](NCc2ccc(N3CCOCC3)cc2)C1	841084428	JHQOCKFDCYDDMC-CVEARBPZSA-N	289.423	1.740	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)Cn1nccc1C	859421133	MZKUGZCITVCPFV-UHFFFAOYSA-N	286.379	1.882	10	20	CDCD	
CNC(=O)[C@H](C)CN(C)Cc1cc(F)c(N(C)C)cc1F	862251558	HGJPNNNCQWCAPX-SNVBAGLBSA-N	299.365	1.845	10	20	CDCD	
C[C@@H]1CN(Cc2cc3c(cc2O)OC[C@@H]3O)C[C@H]1C	768466179	NNJQNTMWYVGSAQ-RULNRJAQSA-N	263.337	1.906	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)c2cc(C)n(C)n2)c1	862759182	XYZQLNHKMDDMAL-UHFFFAOYSA-N	259.309	1.673	10	20	CDCD	
CNC(=O)CCCC(=O)NCc1cc(C)ccc1O	862757486	WFEFQYFAYDJPAL-UHFFFAOYSA-N	264.325	1.233	10	20	CDCD	
CC[C@@H](C)N(CCO)Cc1ccc([N+](=O)[O-])c(OC)c1O	862387126	HEBKKNNCETXQEL-SNVBAGLBSA-N	298.339	1.902	10	20	CDCD	
COc1ccc(CNC(=O)c2ccc(C)c(O)c2O)nc1	768850601	HYKMKRAFXVQCRT-UHFFFAOYSA-N	288.303	1.740	10	20	CDCD	
Cc1cccc(O)c1CN(C)[C@H](C)CS(C)(=O)=O	876732764	FRCRDYVBXMCPKE-LLVKDONJSA-N	271.382	1.566	10	20	CDCD	
Cn1c(C(=O)NCc2ccc(O)c(O)c2)ccc1[N+](=O)[O-]	778923723	RGOHZCPVYDEAKI-UHFFFAOYSA-N	291.263	1.275	10	20	CDCD	
CNC(=O)[C@@H]1CCC[C@H]1NCc1cc(OC)ccc1O	776253572	YFTJGWGGUBGESR-CHWSQXEVSA-N	278.352	1.405	10	20	CDCD	
C[C@@H]1C[C@H](C(=O)NCc2ccc(O)c(O)c2)CO1	784441993	KKEOHXXDGRXYDM-SCZZXKLOSA-N	251.282	1.139	10	20	CDCD	
C[C@@H]1C[C@@H](C(=O)OCC(=O)c2ccc(O)c(O)c2)CCO1	784567427	MLXQCMSWQQCIKY-KOLCDFICSA-N	294.303	1.639	10	20	CDCD	
O=C(OC[C@H]1CCS(=O)(=O)C1)c1cc(O)cs1	788939187	CXBUZBNWYHMYPF-SSDOTTSWSA-N	276.335	1.045	10	20	CDCD	
COc1ccc(CN[C@H](C)C[S@](C)=O)c(O)c1OC	893527452	YHDOSGMMZPIDFX-HOGDKLEQSA-N	287.381	1.266	10	20	CDCD	
Cc1nnc([C@@H](C)NC(=O)c2ccc(C)c(O)c2O)o1	780968891	LHKHFTQIYVPIFZ-SSDOTTSWSA-N	277.280	1.589	10	20	CDCD	
COc1cc(C)cc(CNCC2(CC(N)=O)CC2)c1O	895030328	IUPHFCXUACZJFC-UHFFFAOYSA-N	278.352	1.454	10	20	CDCD	
CCN1CCN(Cc2ccc(OC)c(OC)c2O)[C@@H](C)C1	894405804	MITATDZWNSKBTB-LBPRGKRZSA-N	294.395	1.935	10	20	CDCD	
CCO[C@H]1C[C@H]1C(=O)NCc1ccc(OC)cc1O	794380752	BERWIHRCNAWSRD-YPMHNXCESA-N	265.309	1.442	10	20	CDCD	
COc1ccc(O)c(CNc2ccc(-n3cncn3)cn2)c1	792191889	DQCCBNMNSIKVPW-UHFFFAOYSA-N	297.318	1.989	10	20	CDCD	
C[C@@H]1CN(C(=O)c2cccc(O)c2O)C[C@@H](C)S1=O	791181225	HUJWYBVTZQCXBR-RKDXNWHRSA-N	283.349	1.079	10	20	CDCD	
Cc1nnc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2O)n1C	1323831820	ZHOWPVRBRGHQQV-MRVPVSSYSA-N	291.311	1.588	10	20	CDCD	
CCOc1ccc(N2CCN(C(=O)CN(C)C)CC2)cc1	1320603536	OYTASIWXTUREHU-UHFFFAOYSA-N	291.395	1.296	10	20	CDCD	
C[C@H](CO)NC(=O)NCCCSc1nccs1	154585563	NXRXIMGHJNDWPA-MRVPVSSYSA-N	275.399	1.305	10	20	CDCD	
O=C(O)[C@@H](C[C@@H]1CCCOC1)NCc1cccc(F)c1O	1601642837	QQGXJXPUGYQOHS-GXFFZTMASA-N	297.326	1.891	10	20	CDCD	
O=C(O)[C@@H]1C[C@H](F)CN1C(=O)/C=C\c1ccc(O)c(O)c1	1602196603	MUYWCOAJHRTYPD-JOEOVOKTSA-N	295.266	1.135	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H]2CC[C@H](C(=O)O)C2)c(O)c1O	1605252741	ATIKGWONMZZEKL-DTWKUNHWSA-N	279.292	1.389	10	20	CDCD	
CNCCCN(C)C(=O)c1cc2cc(O)c(O)cc2s1	1578687529	WEKQQCJQHKSWPZ-UHFFFAOYSA-N	294.376	1.994	10	20	CDCD	
CC[C@H](C(=O)O)C(=O)N[C@H](C)c1ccccc1O	1594757553	GHOAQLFUPITVRV-BDAKNGLRSA-N	251.282	1.680	10	20	CDCD	
COc1ccc(CN[C@H](C)C[S@@](C)=O)cc1C	168211051	QFJPEUAHOYCPTI-DIFFPNOSSA-N	255.383	1.860	10	20	CDCD	
c1cc2c(cc1CNCCN1CCSCC1)CCO2	226247288	DYEMWDIGTXPXKK-UHFFFAOYSA-N	278.421	1.760	10	20	CDCD	
COc1ccc(CN[C@@H]2CCOC[C@H]2O)cc1C	706727147	KPLGJXZKLYRWFL-CHWSQXEVSA-N	251.326	1.243	10	20	CDCD	
COCC(COC)N[C@@H](C)c1cc(OC)ccc1O	388383093	UTBUQZLFLASHAM-JTQLQIEISA-N	269.341	1.713	10	20	CDCD	
COC(=O)[C@H]1CN(Cc2cc(C)c(C)cc2O)CCO1	103134730	SXKQGBBKGFECQB-CQSZACIVSA-N	279.336	1.383	10	20	CDCD	
Cc1ccc(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c(O)c1O	177659500	BCSQNNQVPZNUMV-UHFFFAOYSA-N	299.286	1.828	10	20	CDCD	
O=S1(=O)CCC[C@H](NCc2ccccc2O)C1	69141949	YHUKLQCKSXWIEZ-NSHDSACASA-N	255.339	1.059	10	20	CDCD	
O=C(Cn1cnc([N+](=O)[O-])c1)c1ccc(O)c(O)c1	29749561	URHHHBSVSRIEBD-UHFFFAOYSA-N	263.209	1.085	10	20	CDCD	
Cc1cc(C(=O)NCCc2ccc(O)c(O)c2)on1	153904903	YDGFZEUFOZAYEF-UHFFFAOYSA-N	262.265	1.367	10	20	CDCD	
C[C@H](CS(C)(=O)=O)NCCCSc1nccs1	182992852	YYMVMVSNLNJHSO-SECBINFHSA-N	294.467	1.648	10	20	CDCD	
NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	80622966	SNDJCTGFWDKXHS-VIFPVBQESA-N	285.294	1.925	10	20	CDCD	
CC[C@@H](O)CN1CCN(c2ccc(OC)c(F)c2)CC1	84963953	XVMOBXAFZVQXNH-CYBMUJFWSA-N	282.359	1.727	10	20	CDCD	
CC(=O)c1cc(F)cc(CN[C@@H]2C(=O)NCC[C@@H]2C)c1O	193595852	OHZHRYGKFSEKJS-SDBXPKJASA-N	294.326	1.348	10	20	CDCD	
COc1cccc(CNc2nccc(N(C)C)n2)c1O	91479404	CMHORNLOYWVRCP-UHFFFAOYSA-N	274.324	1.869	10	20	CDCD	
Nc1ccc(CC(=O)NCC(=O)NCc2ccccc2)cc1	387063412	SGSTXIJLGOHZMQ-UHFFFAOYSA-N	297.358	1.244	10	20	CDCD	
Cc1nonc1C(=O)NCc1ccc2c(c1)CCCN2C	265121646	HGOBZRFNMPWVRE-UHFFFAOYSA-N	286.335	1.690	10	20	CDCD	
CS(=O)(=O)[C@H]1CCCCN(Cc2ccccc2O)C1	278620394	HISGZBMLUUIQED-ZDUSSCGKSA-N	283.393	1.791	10	20	CDCD	
C/C=C/C[C@H](CO)NCc1ccc([N+](=O)[O-])c(OC)c1O	278505553	ORPDIMCJHVOONZ-PGLGOXFNSA-N	296.323	1.726	10	20	CDCD	
CCOCCOC1CN(Cc2cc(OC)ccc2O)C1	272388935	GUJKLHPAXCMVDN-UHFFFAOYSA-N	281.352	1.638	10	20	CDCD	
Cn1cc([C@@H]2CN(Cc3ccccc3O)C[C@H]2CO)cn1	278569153	BVAUUGWNNUEXDG-GJZGRUSLSA-N	287.363	1.334	10	20	CDCD	
CCOc1cccc(CN2CCN(CC)C(=O)C2)c1O	273524527	TVQZVDGLFXAGQL-UHFFFAOYSA-N	278.352	1.455	10	20	CDCD	
Cc1ccc(O)c(CNCCN2CCCOCC2)c1	289434961	LFWZUJQSRRRQLP-UHFFFAOYSA-N	264.369	1.513	10	20	CDCD	
Oc1ccc(F)cc1CN1CC[C@@H](n2cncn2)C1	377275795	BISDVRDVXYTPQX-GFCCVEGCSA-N	262.288	1.570	10	20	CDCD	
CC[C@@H](N[C@H]1CC(=O)N(C)C1)c1ccc(F)cc1O	286062697	LMTTXLQBDMWDEC-CMPLNLGQSA-N	266.316	1.803	10	20	CDCD	
O=C(NCC1(O)CCCC1)c1c(F)ccc(O)c1O	295091410	WMMZXDKELDKUEA-UHFFFAOYSA-N	269.272	1.272	10	20	CDCD	
CC[C@@H](NCc1cc(Cl)cc([N+](=O)[O-])c1O)C(=O)O	818316912	HXUPQVJKSNWLTH-MRVPVSSYSA-N	288.687	1.907	10	20	CDCD	
O=C(CNC(=O)CC1CCCC1)NCc1ccccc1O	725895856	SROZSGBBTVYODA-UHFFFAOYSA-N	290.363	1.705	10	20	CDCD	
Cc1cc(Cl)cc(CN2CCO[C@@H](C(=O)O)C2)c1O	820976967	YHJKLHGXROCREA-LLVKDONJSA-N	285.727	1.639	10	20	CDCD	
COc1cc2c(c(OC)c1)N(CC(=O)N1CCC1)CCC2	839655977	XZBZNRGTJSXNQB-UHFFFAOYSA-N	290.363	1.689	10	20	CDCD	
NC(=O)Cc1ccc(NC(=O)c2cc(O)cs2)cc1	731869015	IBYVJPILSJZZGG-UHFFFAOYSA-N	276.317	1.734	10	20	CDCD	
C[C@@H]1COC[C@@H]1NC[C@H](c1ccc(N(C)C)cc1)N(C)C	903448816	TWRUJYZRYXXJTK-XOKHGSTOSA-N	291.439	1.980	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CCCCC[C@@H]1CO	911960330	USXXXAQEHWZBDX-STMXVASLSA-N	291.347	1.875	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2cc(CO)on2)cc1	748007721	GKAFMGUESIYPCV-UHFFFAOYSA-N	275.308	1.163	10	20	CDCD	
CO[C@H](C)c1noc(COC(=O)c2cc(O)cs2)n1	747700461	KGQGHQLRCBMMLU-ZCFIWIBFSA-N	284.293	1.901	10	20	CDCD	
COC(=O)CNC(=O)[C@@H](C)Sc1ncc(Cl)s1	849998360	DYOVBBJEZBFESO-RXMQYKEDSA-N	294.785	1.566	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2CCNC[C@H]2C)c1O	843047183	ITQKBJHORXNXAD-SECBINFHSA-N	281.312	1.103	10	20	CDCD	
CCN(CC)C[C@@H](C)NC(=O)NCCc1ccc(N)cc1	841744789	SWMKECPHXHOSEB-CYBMUJFWSA-N	292.427	1.841	10	20	CDCD	
C[C@H]1[C@@H](C)SCCN1C(=O)C(=O)Nc1ccc(N)cc1	841041122	DSDPWWFXRYLSNH-VHSXEESVSA-N	293.392	1.560	10	20	CDCD	
CCONC(=O)CNCc1ccc(N(C)C)cc1C	846089947	AHXGIHFRBTYJCL-UHFFFAOYSA-N	265.357	1.218	10	20	CDCD	
CC[C@@H](C(=O)NCc1cc(Cl)ccc1O)C(=O)OC	846474586	VRXOCTAEQUBLBZ-JTQLQIEISA-N	285.727	1.861	10	20	CDCD	
OC[C@@H]1CN(Cc2cc(Cl)ccc2O)CC[C@@H]1O	840975178	MDWWUYHRVGHJKJ-GWCFXTLKSA-N	271.744	1.221	10	20	CDCD	
COc1cccc(CN[C@H](CN)C(C)(C)C)c1O	841087636	OOKNIZCFLQPIDY-GFCCVEGCSA-N	252.358	1.864	10	20	CDCD	
NC[C@H](NCc1cc(Cl)cc([N+](=O)[O-])c1O)C1CC1	841029651	XKVVBNMYTGNZSI-JTQLQIEISA-N	285.731	1.781	10	20	CDCD	
C[C@@H](Nc1nc(N)nc(N)n1)c1ccc(N(C)C)cc1	858488377	RVBRXZCJBSRUJU-MRVPVSSYSA-N	273.344	1.275	10	20	CDCD	
CC[C@H](COC)NC(=O)NCc1cc(C)ccc1O	858240988	WFWXOOIBAOYPHG-GFCCVEGCSA-N	266.341	1.925	10	20	CDCD	
CC[C@](C)(O)C(=O)NCc1ccc(N(C)C)c(F)c1	931147305	XGTPGCAYLQFRBS-AWEZNQCLSA-N	268.332	1.669	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@H](O)C(C)(C)C)c1	765178872	USAMYZQPPUTYMS-LBPRGKRZSA-N	267.325	1.424	10	20	CDCD	
CC[C@H](NC(C)=O)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	867302353	OIFNVKSKUXGQIC-CABZTGNLSA-N	294.351	1.060	10	20	CDCD	
O=C(NCCCSc1nccs1)[C@@H]1CCCNC1=O	865785994	XKIVJLURVIDDAG-SECBINFHSA-N	299.421	1.268	10	20	CDCD	
C[C@@H]1COCCN(Cc2cc3c(cc2O)OC[C@H]3O)C1	768465947	UEPULPRSCUDMFS-IINYFYTJSA-N	279.336	1.286	10	20	CDCD	
Cc1cc(CNC(=O)NCCO)c(C)n1-c1ccccc1	860506418	DSFQZMOEWCQNFB-UHFFFAOYSA-N	287.363	1.886	10	20	CDCD	
COC(=O)C[C@]1(NCc2cc(OC)ccc2O)CCOC1	768532292	DTBZMWFOLZXJFP-OAHLLOKOSA-N	295.335	1.213	10	20	CDCD	
CCNC(=O)CCC(=O)N(C)Cc1ccccc1O	769283401	VXAJAYHJXKJNPK-UHFFFAOYSA-N	264.325	1.267	10	20	CDCD	
Cc1ccc(C(=O)N2CCC3(CN(C)C3)C2)c(O)c1O	1118759359	PWLLYKJWTVYUMD-UHFFFAOYSA-N	276.336	1.184	10	20	CDCD	
COc1ccc(N2CCN(CC[C@H](C)O)CC2)c(OC)c1	879462806	XQLLJJIUUFQMSI-ZDUSSCGKSA-N	294.395	1.597	10	20	CDCD	
C[C@@H](NC(=O)C[C@H]1COC(=O)C1)c1ccc(N(C)C)cc1	773017529	FCSCNOLIPPFXGG-VXGBXAGGSA-N	290.363	1.883	10	20	CDCD	
CC[C@]1(NCc2ccc([N+](=O)[O-])c(OC)c2O)CCOC1	775115556	LHJIEDKLPKHASS-AWEZNQCLSA-N	296.323	1.968	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)NCc1ncccn1	779534512	GVFDPOMPUNWEMR-HYXAFXHYSA-N	271.276	1.217	10	20	CDCD	
CCOc1ccc(CN2CC[C@@H]([C@H](C)O)C2)c(O)c1	780786230	JIOMIBGGQDTUGV-NWDGAFQWSA-N	265.353	1.994	10	20	CDCD	
CC[C@H](CNCc1ccc(OC)c(OC)c1O)OC	894552293	HKVVQMIBWZMEPO-LLVKDONJSA-N	269.341	1.924	10	20	CDCD	
O=C(NCc1ccccc1O)[C@H](O)C1CCCCC1	783676146	DCPVCMRHHDIRAP-CQSZACIVSA-N	263.337	1.950	10	20	CDCD	
O=C1CCCN1C1CN(Cc2cccc(Cl)c2O)C1	897783671	HOEGCUWTQNKNBU-UHFFFAOYSA-N	280.755	1.852	10	20	CDCD	
CCNC(=O)CC(=O)N(CC)Cc1ccc(N(C)C)cc1	780914790	LCUDBGATWGQUJP-UHFFFAOYSA-N	291.395	1.627	10	20	CDCD	
OC1CCN(c2ccc(CNCc3cnc[nH]3)cc2)CC1	895333767	DTTHXHYXKHACPU-UHFFFAOYSA-N	286.379	1.661	10	20	CDCD	
COc1ccc(CNC2CCC(O)CC2)c(O)c1OC	893686860	LBCPSQUEKHKXCV-UHFFFAOYSA-N	281.352	1.803	10	20	CDCD	
CC[C@H](CCO)NCc1cc(C)cc(OC)c1O	894288938	GCIOCGWWBKLJPT-GFCCVEGCSA-N	253.342	1.960	10	20	CDCD	
CC[C@H](C)[C@H](C)NC(=O)C(=O)NCCc1ccc(N)cc1	1328732398	KPENLOMVTZQPKF-RYUDHWBXSA-N	291.395	1.478	10	20	CDCD	
C[C@H]1OCC[C@@]1(C)NC(=O)NCc1ccc(N)cc1	1337017644	APYVASCDBNVANX-QMTHXVAHSA-N	263.341	1.636	10	20	CDCD	
C[C@H]1C[C@@H](NC(=O)NCc2ccc(N)cc2)CCO1	1262578940	CLCUBNBPETUGAI-GWCFXTLKSA-N	263.341	1.636	10	20	CDCD	
COC(=O)[C@@H]1CCC[C@@H](C(=O)NCc2ccc(N)cc2)C1	1346209423	JESIVLJDPYCVES-CHWSQXEVSA-N	290.363	1.864	10	20	CDCD	
C[C@@H](CC(=O)NCc1cccc(O)c1O)c1cnn(C)c1	1528770671	CNXCSYCMNBGAKT-JTQLQIEISA-N	289.335	1.641	10	20	CDCD	
Cc1ccc(C(=O)NCc2ccoc2C(=O)O)c(O)c1O	1607733429	MSUMFYRIFHIXLQ-UHFFFAOYSA-N	291.259	1.627	10	20	CDCD	
O=C(NCc1ccccc1O)[C@@H]1NCCOc2ccccc21	1580722341	YFCCCYOHJANGFE-MRXNPFEDSA-N	298.342	1.732	10	20	CDCD	
NC(=O)N=Nc1ccc(C(=O)N2CCC[C@H]2C(=O)O)cc1	1594644273	BSGUSFGRETUVTL-JTQLQIEISA-N	290.279	1.538	10	20	CDCD	
COc1ccc(N2CC[C@H](CN[C@H](C)CC(=O)O)C2)cc1	1594101098	FXMYQYBDDPNOQP-CHWSQXEVSA-N	292.379	1.974	10	20	CDCD	
C[C@H](NC[C@H]1CCCNC1=O)c1ccc(F)cc1O	840825612	HUGJVRSIIQRICP-VHSXEESVSA-N	266.316	1.708	10	20	CDCD	
C[C@@H](CN1CCOCC1)NCc1cc(F)ccc1O	226584761	MMTWAWQXIMSIRF-NSHDSACASA-N	268.332	1.342	10	20	CDCD	
C[C@@]12CCC(=O)N1[C@H](C(=O)Nc1ccc(N)cc1)CS2	237480470	XNEYNPVZBGWSTD-SMDDNHRTSA-N	291.376	1.661	10	20	CDCD	
CCOc1cccc(CNCc2cnnn2C)c1O	288523259	UXAMCZJNHSHDTE-UHFFFAOYSA-N	262.313	1.209	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2conc2CN)cc1	407420046	YXQAWCOJDKXTSQ-UHFFFAOYSA-N	274.324	1.129	10	20	CDCD	
CCOc1ccc(O)c(CNC[C@]2(O)CCSC2)c1	176755520	RQRWDODAXHNALH-CQSZACIVSA-N	283.393	1.749	10	20	CDCD	
COc1cccc(CNC(=O)[C@H](C)OCC2CC2)c1O	105649308	VMBQCUUEAPCSRB-JTQLQIEISA-N	279.336	1.832	10	20	CDCD	
Cn1cc(N2CCN(Cc3ccccc3O)CC2)cn1	179574882	ZCNFZBQJBIZAPO-UHFFFAOYSA-N	272.352	1.448	10	20	CDCD	
CN(C)c1ccc(CNCCC[S@@](C)=O)cc1F	116919528	CWCNJSWJWLYTEX-SFHVURJKSA-N	272.389	1.750	10	20	CDCD	
COCCN(CCOC)Cc1cc(F)ccc1O	179868340	GOCXCSAALMOSCZ-UHFFFAOYSA-N	257.305	1.626	10	20	CDCD	
COc1cccc(O)c1CN1C[C@@H](C)C[C@H](C(=O)O)C1	1604870820	BVGSBYANRIDCEH-QWRGUYRKSA-N	279.336	1.943	10	20	CDCD	
CC[C@H](C)N(C)CCNC(=O)NCc1ccccc1O	66192378	WVWWRAHRQUXKEH-LBPRGKRZSA-N	279.384	1.922	10	20	CDCD	
C[C@H](NCCCS(C)(=O)=O)c1ccccc1O	38047287	OSPJAYBJUMPLOZ-JTQLQIEISA-N	257.355	1.478	10	20	CDCD	
COc1ccc(C(=O)NCc2ccc(N(C)C)cc2)nn1	78041046	SCNIHRFJELSPOT-UHFFFAOYSA-N	286.335	1.481	10	20	CDCD	
CN(C)c1ccc(CNC(=O)Nc2cnn(C)c2)cc1	124939486	CLEKUANJXUOSKY-UHFFFAOYSA-N	273.340	1.808	10	20	CDCD	
O=C(O)[C@@H]1CN(Cc2c(O)ccc3ccccc23)CCO1	86805220	BOAVLWAMHOOUJC-HNNXBMFYSA-N	287.315	1.831	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H]1CCNC1	89744018	BERDIIKDVSHZDZ-AWEZNQCLSA-N	275.396	1.711	10	20	CDCD	
COC(=O)[C@H]1C[C@H](O)CN1Cc1cc(C)c(C)cc1O	192460679	QJZYZYVPSURPIA-QWHCGFSZSA-N	279.336	1.117	10	20	CDCD	
c1cc2c(cc1CNC[C@@H]1CN3CCC[C@H]3CO1)CCO2	252667604	MFXPTDRNEQZZAP-JKSUJKDBSA-N	288.391	1.574	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)[C@@H]1CCc2cn[nH]c2C1	272289742	HAGJXXCDJYOQLA-SNVBAGLBSA-N	287.319	1.242	10	20	CDCD	
COC[C@@H](CNCc1ccc(N(C)C)c(F)c1)OC	272665775	IXDXYOXOZLDRTK-GFCCVEGCSA-N	270.348	1.643	10	20	CDCD	
COc1ccc(O)c(CNC[C@H](CO)[C@@H]2CCOC2)c1	281010302	YMEILJIZRUDXHW-DGCLKSJQSA-N	281.352	1.135	10	20	CDCD	
Cc1ccc(O)c(CN2CC[C@@H](n3cncn3)C2)c1	377275581	AKQRPADTWJMQMQ-CYBMUJFWSA-N	258.325	1.739	10	20	CDCD	
C[C@H](NC(=O)c1cncn1C)c1ccc(N(C)C)cc1	809778659	UOKXRQPVZLLDIQ-NSHDSACASA-N	272.352	1.977	10	20	CDCD	
CC(C)(CNC(=O)/C=C/c1ccc(O)c(O)c1)OCCO	292136874	SENNVXWICWUEBM-GQCTYLIASA-N	295.335	1.015	10	20	CDCD	
COCCN(CCO)Cc1ccc(N(C)C)c(C)c1	293271918	XZUGPIPNRGXQMR-UHFFFAOYSA-N	266.385	1.502	10	20	CDCD	
COC[C@]1(C)CCN(C(=O)c2ccc(C)c(O)c2O)C1	296356428	FIGASQNEKHBLHY-OAHLLOKOSA-N	279.336	1.905	10	20	CDCD	
COCCOC[C@@H](O)CN(C)c1ccc(OC)cc1OC	294866321	CSHHXZAJMQEZAW-LBPRGKRZSA-N	299.367	1.164	10	20	CDCD	
C[C@@H](NC[C@H]1CC[C@@H](CO)O1)c1ccc(F)c(F)c1O	294522048	ZHQQZJIXDFANPW-BBBLOLIVSA-N	287.306	1.861	10	20	CDCD	
CC[C@H](CS(=O)(=O)Nc1ccc(O)cc1C)OC	817354528	XOFXZLYNGBFNLI-LLVKDONJSA-N	273.354	1.867	10	20	CDCD	
C[C@H](N[C@@H]1CCNC1)c1cc([N+](=O)[O-])ccc1O	817944520	FRXICLUAGLVURJ-DTWKUNHWSA-N	251.286	1.313	10	20	CDCD	
C[C@H]1C[C@@H](C)O[C@@H]1C(=O)NCCc1ccc(N)cc1	818545182	NEPHWVOEEIHMKM-WDMOLILDSA-N	262.353	1.741	10	20	CDCD	
COc1ccc(N2CC[C@@H](CNC(=O)NC3CC3)C2)cc1	818047633	HPSHXBNKACEJHI-LBPRGKRZSA-N	289.379	1.983	10	20	CDCD	
C[C@@H](NC(=O)[C@@H]1NC(=O)O[C@@H]1C)c1ccccc1O	827941142	NTWSYLTYAYKAET-SOCHQFKDSA-N	264.281	1.066	10	20	CDCD	
CN1CCCc2cc(CNC(=O)[C@H]3CCN3)ccc21	827914170	ZRUCVOCDIFJTAF-CYBMUJFWSA-N	259.353	1.047	10	20	CDCD	
Cc1cc(O)c(CN2CCS(=O)(=O)CC2)cc1Cl	824710541	VYYXCPHZGBOXKT-UHFFFAOYSA-N	289.784	1.584	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](O)C2CC2)c1	830540832	OASHXIMWEOGSMG-OQPBUACISA-N	265.309	1.349	10	20	CDCD	
COC(=O)[C@H]1C[C@@H](NC(=O)c2ccc(C)c(O)c2O)C1	840530762	PFJJMJUWHRZBSV-DTORHVGOSA-N	279.292	1.088	10	20	CDCD	
CC(C)(C)CC(=O)NCC(=O)NCc1ccc(O)cc1O	910951978	NNNRTFDVVPXQTR-UHFFFAOYSA-N	294.351	1.266	10	20	CDCD	
O=[N+]([O-])c1cc(Cl)cc(CNC2CCNCC2)c1O	841026694	PIEASTKCNOOYJL-UHFFFAOYSA-N	285.731	1.795	10	20	CDCD	
CCN(C)c1ccc(CN2CCN(OC)CC2)cc1	846972308	QVAMXZFMPBETOV-UHFFFAOYSA-N	263.385	1.822	10	20	CDCD	
CCN(CC)c1ccc(CNCCOCC(=O)O)cc1F	841810491	HYNXLEDXIKEXSH-UHFFFAOYSA-N	298.358	1.863	10	20	CDCD	
CC(C)N1CC[C@@H](N2CCCc3cc(CN)ccc32)C1=O	843350746	UMDHYKRBQQDFMB-MRXNPFEDSA-N	287.407	1.907	10	20	CDCD	
COC(=O)CC(C)(C)NC(=O)Cc1ccc(N)cc1	843440722	BUKKAQGGBYISBI-UHFFFAOYSA-N	264.325	1.269	10	20	CDCD	
CCC[C@H](O)[C@H](CO)NCc1ccc2c(c1)CCO2	842226938	QTEBDWVJZMMORQ-KBPBESRZSA-N	265.353	1.233	10	20	CDCD	
C[C@@H](O)CCCN(C)c1ccc(OCC(=O)O)cc1	846279823	MTYDRKGQNRMOGH-LLVKDONJSA-N	267.325	1.747	10	20	CDCD	
CN[C@@H]1CCCN(C(=O)NCCc2ccc(N)cc2)C1	841955713	KZUKJAMCHRHYFT-CQSZACIVSA-N	276.384	1.205	10	20	CDCD	
C[C@@H]1CN(Cc2cc3c(cc2O)OCO3)CC[C@H]1N	843053211	ZGYXZUBKGSYPPR-MWLCHTKSSA-N	264.325	1.290	10	20	CDCD	
NCC[C@@H](NCc1ccc2c(c1)CCO2)C(F)F	841072250	MKUOWIBTDQYIKB-LLVKDONJSA-N	256.296	1.694	10	20	CDCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCCCO	840486507	AXAZASGPPWGLJQ-ZDUSSCGKSA-N	293.411	1.674	10	20	CDCD	
O=C(NCc1cc(Cl)ccc1O)c1ccnnc1	857547484	GMPBVQZCCWVSKX-UHFFFAOYSA-N	263.684	1.766	10	20	CDCD	
CCN(C)c1ccc([C@H](C)N[C@@H]2CCOC[C@H]2O)cc1	858552688	IVYFOPUTCRBRBY-APHBMKBZSA-N	278.396	1.943	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)CCCCCNC(N)=O	920454754	HGVCLHPOEBNSPN-UHFFFAOYSA-N	293.367	1.579	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)[C@H]1C[C@H](N)C1	852825596	SQKUOJAIQUNCQV-JOCQHMNTSA-N	262.353	1.868	10	20	CDCD	
O=C(OCc1ccc(F)cn1)c1cccc(O)c1O	758563645	YFMSZIVXIHQBOD-UHFFFAOYSA-N	263.224	1.989	10	20	CDCD	
CCC[C@H](O)C(=O)NCc1ccc(OC)cc1O	935770908	LCSFAKVUMZQIOI-NSHDSACASA-N	253.298	1.178	10	20	CDCD	
OC[C@@H]1[C@H]2CN(Cc3c(O)cccc3Br)C[C@H]21	862376370	XTHXBXJWRIOSQY-JZYVYDRUSA-N	298.180	1.825	10	20	CDCD	
CNC(=O)C(C)(C)CNCc1ccc(C)cc1O	877115835	IBVMHGRSSUNPDD-UHFFFAOYSA-N	250.342	1.562	10	20	CDCD	
CN(Cc1cc2c(cc1O)CCCC2)[C@@H]1CCNC1=O	768465994	UYPTVZUURMOABA-CQSZACIVSA-N	274.364	1.591	10	20	CDCD	
Cc1ccc(CN2CCNC(=O)[C@H]2C(C)C)c(O)c1	876687408	IUNVCHXIVXXOBJ-CQSZACIVSA-N	262.353	1.657	10	20	CDCD	
CC[C@H](CS(=O)(=O)NCc1cc(C)ccc1O)OC	1118821259	CDIGMSTYOHQTFH-GFCCVEGCSA-N	287.381	1.545	10	20	CDCD	
CCn1cc(C(=O)NCCc2ccc(N)cc2)c(C)n1	876527423	DOFKWRAOEPWPNT-UHFFFAOYSA-N	272.352	1.766	10	20	CDCD	
COc1cccc(O)c1CN[C@@H]1CCO[C@@]2(CCOC2)C1	770751730	AOYONOIIEPLJEZ-WBMJQRKESA-N	293.363	1.829	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NCc1ccc(F)cn1	779532121	DXJGXDVKKLHRMQ-QHHAFSJGSA-N	288.278	1.962	10	20	CDCD	
C[C@@H]1OCC[C@H]1C(=O)NCc1ccc(O)c(O)c1	778914767	LOLYDLJECGARQQ-WCBMZHEXSA-N	251.282	1.139	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)NCc1ncccc1F	779485169	INFHRGXHKKJECQ-XQRVVYSFSA-N	288.278	1.962	10	20	CDCD	
CN1CC[C@H](C(=O)N(C)c2ccc(N)cc2)CC1=O	877081053	SZWLIHZDVAIRDF-JTQLQIEISA-N	261.325	1.100	10	20	CDCD	
C[C@H](NC(=O)NCc1ccc(N2CCCC2)cc1)C(=O)O	780399380	WHASCILSLPISSY-NSHDSACASA-N	291.351	1.559	10	20	CDCD	
O=C(/C=C/c1ccc[nH]1)OCC(=O)c1ccc(O)c(O)c1	784849233	IGNSUPJGYBMMIH-GQCTYLIASA-N	287.271	1.865	10	20	CDCD	
CC(C)c1cc(NS(=O)(=O)N(C)C)ccc1O	882798751	BZPSSYQPAVTDAF-UHFFFAOYSA-N	258.343	1.734	10	20	CDCD	
CCOc1cccc(CN[C@H](C(=O)O)C(C)C)c1O	43429698	IKVOAOWPCXGKCF-LBPRGKRZSA-N	267.325	1.990	10	20	CDCD	
CC1(C)CN(Cc2ccccc2O)CCN1CCO	783714159	NSQCBWPLYWWJEV-UHFFFAOYSA-N	264.369	1.281	10	20	CDCD	
COc1ccc(CNC(=O)Nc2ccnn2C)c(O)c1	797644356	HGISUXXBHPITDF-UHFFFAOYSA-N	276.296	1.456	10	20	CDCD	
COC(=O)c1cc(O)ccc1NS(=O)(=O)c1ccoc1	795349293	YWGDGAHVAXOTHL-UHFFFAOYSA-N	297.288	1.573	10	20	CDCD	
COc1cccc(O)c1CN[C@@H](C)c1nc(C)no1	792176562	HREIDNLCSFBOJB-QMMMGPOBSA-N	263.297	1.943	10	20	CDCD	
COc1ccc(O)c(CN2CCC[C@@H](C(=O)O)C2)c1	86728893	GNWNJVRHFBVSHG-SNVBAGLBSA-N	265.309	1.697	10	20	CDCD	
COc1ccc(O)c(CN2CCCC[C@H]2C(=O)O)c1	86729896	GJVQXBBZEDMZOH-LBPRGKRZSA-N	265.309	1.840	10	20	CDCD	
CNC(=O)[C@@]1(C)CCN(Cc2cc(F)cc(F)c2O)C1	708433212	JJNUAZKEDRAQKP-AWEZNQCLSA-N	284.306	1.628	10	20	CDCD	
CN(C)c1cc(F)c(CNCc2cn(C)nn2)cc1F	1331277179	GQYKHAZDFLEXMB-UHFFFAOYSA-N	281.310	1.449	10	20	CDCD	
COC[C@H]1CN(Cc2cc(C)ccc2O)CCO1	93529316	LSBBDSNNJNIQHQ-CYBMUJFWSA-N	251.326	1.548	10	20	CDCD	
COc1cc(C)cc(CNCCc2cnn(C)c2)c1O	1331533061	KLWIJLLOAZZBRC-UHFFFAOYSA-N	275.352	1.775	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)c1cccnc1O	98074528	IIJNYEUQORBDQB-UHFFFAOYSA-N	274.276	1.171	10	20	CDCD	
CCCc1cc(C(=O)NCc2cccc(O)c2O)no1	1349076948	AVVDWRSTCFOADX-UHFFFAOYSA-N	276.292	1.968	10	20	CDCD	
CCC[C@H](O)[C@@H](CO)NCc1ccc(N2CCCC2)cc1	1345189565	AIWHAICUXDUHIO-SJORKVTESA-N	292.423	1.898	10	20	CDCD	
CC(C)[C@@H]1CN(C(=O)NCc2ccc(N)cc2)CCO1	1353540784	XNVOVYSGMCSWJZ-AWEZNQCLSA-N	277.368	1.835	10	20	CDCD	
C[C@@H]1C[C@@]1(C(=O)O)C(=O)NCc1cc(Cl)ccc1O	1605034959	PYCPYMBYUYRVAK-UHLUBPPHSA-N	283.711	1.773	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)c1cc(C(=O)O)on1	1606169665	ACASPTREGACRLF-UHFFFAOYSA-N	276.248	1.351	10	20	CDCD	
C[C@H](N[C@@H](CCO)C1CC1)c1cc(C(=O)O)ccc1O	1604326893	UMGCTJSCLGGMHL-ZANVPECISA-N	279.336	1.902	10	20	CDCD	
C[C@@H]1[C@H](C(=O)O)CCN1Cc1ccc(F)c(F)c1O	1604637342	RFWRHWCNGVGHDW-VXNVDRBHSA-N	271.263	1.965	10	20	CDCD	
CN(C)c1ccc(/C=C/CN[C@H](CF)C(=O)O)cc1	1598314573	YJENBJFHRMSTHI-ITDFMYJTSA-N	266.316	1.778	10	20	CDCD	
Oc1ccc(F)cc1CNC[C@H]1CN2CCC[C@@H]2CO1	226607672	OOWAKBVNYSEMQF-KGLIPLIRSA-N	280.343	1.484	10	20	CDCD	
Cc1ccc(O)c(CNC[C@H]2CN3CCC[C@H]3CO2)c1	252673815	MNKSUBBOFJJVEM-GJZGRUSLSA-N	276.380	1.653	10	20	CDCD	
C[C@@H]1C[C@H](NCc2cc3c(cc2O)OCO3)CO1	402350486	SDEZYRVTSMCDNH-SCZZXKLOSA-N	251.282	1.388	10	20	CDCD	
O=C(O)[C@@H](NCc1cc(F)cc(F)c1O)C1CC1	708076612	YBRRUOBGZGMWQN-JTQLQIEISA-N	257.236	1.623	10	20	CDCD	
Oc1c(F)cc(F)cc1CNCCCn1cncn1	708519056	HHCWTMKINZFZNC-UHFFFAOYSA-N	268.267	1.442	10	20	CDCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NC[C@@H](O)CN(C)C	717394604	JVLZWBOYEPVAHY-UPJWGTAASA-N	278.396	1.761	10	20	CDCD	
OC[C@@H](CC(F)(F)F)NCc1cc2c(cc1O)OCO2	717808725	BHKJNTUVFBRKMM-MRVPVSSYSA-N	293.241	1.524	10	20	CDCD	
CCN1C[C@@H](N[C@@H](C)c2cc(F)ccc2O)CC1=O	391524138	DYCAOOZNDJALBJ-ONGXEEELSA-N	266.316	1.803	10	20	CDCD	
CCCN(CC(=O)O)Cc1c(O)cccc1OC	829472957	HZQCGUZOMBFOBG-UHFFFAOYSA-N	253.298	1.697	10	20	CDCD	
Cc1ccc(C(=O)Nc2cccn(C)c2=O)c(O)c1O	177685553	UYPDEULBDHCKJG-UHFFFAOYSA-N	274.276	1.357	10	20	CDCD	
CN1CCN(Cc2cc(Cl)ccc2O)[C@H](CN)C1	122543629	BVQGBGHOSFMQGB-GFCCVEGCSA-N	269.776	1.120	10	20	CDCD	
CCCn1cc(C(=O)NCc2cc(OC)ccc2O)cn1	183287731	HUKJATYGRXBEKD-UHFFFAOYSA-N	289.335	1.937	10	20	CDCD	
CCCn1cc(C(=O)NCc2cccc(OC)c2O)cn1	183287473	XFTIKDWGLFBFRA-UHFFFAOYSA-N	289.335	1.937	10	20	CDCD	
NC[C@@H]1CCN(Cc2cc(Br)ccc2O)C1	219838917	DIVZZHPTMGTMKB-VIFPVBQESA-N	285.185	1.935	10	20	CDCD	
CN(C[C@H](O)C(F)(F)F)C(=O)c1cccc(O)c1O	193152808	ZHKAZTLAVFEMPR-QMMMGPOBSA-N	279.214	1.093	10	20	CDCD	
Cc1ccc(C(=O)N(CCO)C2CCC2)c(O)c1O	275951430	ZMGVJSPRILXOGR-UHFFFAOYSA-N	265.309	1.393	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNC(C)(C)CO)c1O	278535957	VZGVMDAZQVTQBP-UHFFFAOYSA-N	270.285	1.170	10	20	CDCD	
CNC(=O)CCCN[C@H](C)c1cc([N+](=O)[O-])ccc1O	273622727	ZMKMIQPNEXJCJK-SECBINFHSA-N	281.312	1.477	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CN2CCC=C(F)C2)cc1	272430319	HMDHQZBSEVAOAC-UHFFFAOYSA-N	291.370	1.928	10	20	CDCD	
Cc1ccc(C(=O)N(C)CCc2cnccn2)c(O)c1O	272923555	FKBGZKNGXIPSEC-UHFFFAOYSA-N	287.319	1.511	10	20	CDCD	
COc1ccc(CNC(=O)[C@H]2C[C@]23CCOC3)c(O)c1	373665664	IUNBLWVWBJNQAL-DOMZBBRYSA-N	277.320	1.444	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)COCc1ccnn1C	285443423	YTJISAYFJKXDHQ-UHFFFAOYSA-N	289.335	1.301	10	20	CDCD	
C[C@H](NC[C@H]1CC[C@@H](CO)O1)c1cc([N+](=O)[O-])ccc1O	293868151	ZLRQZEXSMXHDKU-WCQGTBRESA-N	296.323	1.491	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cncn1C	291789495	YFUBDMGLBVQKFE-VIFPVBQESA-N	275.308	1.192	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@@H]1CCc2nncn2C1	815796584	CDJOVBXTKOYSAZ-GFCCVEGCSA-N	286.335	1.205	10	20	CDCD	
CS(=O)(=O)[C@H]1CCCC[C@@H]1NCCc1ccc(N)cc1	817956031	OEKWFYFSLRUZCE-GJZGRUSLSA-N	296.436	1.757	10	20	CDCD	
C[C@H](NC[C@@H](N)c1ccc(N(C)C)cc1)[C@@H]1CCOC1	817939565	COVDUSDHLBEFNM-JGGQBBKZSA-N	277.412	1.767	10	20	CDCD	
C[C@@H](NC(=O)[C@H]1NC(=O)O[C@@H]1C)c1ccccc1O	827941144	NTWSYLTYAYKAET-XLDPMVHQSA-N	264.281	1.066	10	20	CDCD	
CC[C@H](C)[C@](C)(O)CNC(=O)c1c(F)ccc(O)c1O	825972739	BKXRKTOPNALUKA-RMLUDKJBSA-N	285.315	1.764	10	20	CDCD	
CCOCCNC(=S)N[C@@H](C)c1cc(OC)ccc1O	728792961	ODXDYNKJSMTBLF-JTQLQIEISA-N	298.408	1.962	10	20	CDCD	
COC(=O)[C@H](C)CN(C(=O)c1cc(O)cs1)C1CC1	825447487	UVBJLFVGOYZQCU-MRVPVSSYSA-N	283.349	1.867	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@H](N)C2CCC2)cc1F	827900696	GVKIYEVLORCRNA-AWEZNQCLSA-N	279.359	1.635	10	20	CDCD	
COc1ccc(CN[C@]2(CC(=O)O)CCOC2)cc1C	901836875	LJOCMIFCOYNUDJ-HNNXBMFYSA-N	279.336	1.727	10	20	CDCD	
C[C@@H](NC(=O)C1(C(=O)O)CC=CC1)c1ccccc1O	902517280	QKQIYNDUSNCGOB-SNVBAGLBSA-N	275.304	1.990	10	20	CDCD	
C[C@@H](NC[C@@H]1CCN1C)c1cc([N+](=O)[O-])ccc1O	903318612	RMUFPGLFDSMEAF-KOLCDFICSA-N	265.313	1.655	10	20	CDCD	
O=C(CCNC(=O)c1cc(O)cs1)Nc1ccccn1	732271035	NROFQEIMGBXXML-UHFFFAOYSA-N	291.332	1.607	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1cscn1	831924409	HMCHTMZCISZTEG-VIFPVBQESA-N	292.360	1.844	10	20	CDCD	
Cc1cc(O)c(CN2CCO[C@H](C(=O)O)C2)cc1C	738241314	WVVKSKVYKKBHPI-ZDUSSCGKSA-N	265.309	1.294	10	20	CDCD	
CC[C@@H](NC(=O)NCc1ccc(N(C)C)cc1)C(=O)NC	836246404	FEBGJBZAUAIWME-CYBMUJFWSA-N	292.383	1.076	10	20	CDCD	
CC[C@H](C(=O)O)C(=O)NCc1c(O)ccc2c1CCCC2	911451216	LFVJJWFJLWZMKZ-NSHDSACASA-N	291.347	1.998	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)C1(C(N)=O)CCC1	747906448	GDRLVNZOSISCGZ-UHFFFAOYSA-N	289.379	1.333	10	20	CDCD	
CCCN(Cc1cc2c(cc1O)OCO2)[C@H]1CCNC1	843052953	QFJBUERZXILCSZ-LBPRGKRZSA-N	278.352	1.695	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CCCO[C@H](CN)C2)c1O	842479431	SCCMKWTYZNCVOX-CYBMUJFWSA-N	296.342	1.284	10	20	CDCD	
CCc1cccc(CNCC2(N3CCOCC3)CC2)c1O	848907836	UMLCVALGNGDRPK-UHFFFAOYSA-N	290.407	1.909	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC[C@@H]1CNCCCO1	841086410	NLIWYZXNQGXHNI-INIZCTEOSA-N	277.412	1.529	10	20	CDCD	
COc1cccc(O)c1CNC[C@@]1(C)CCCNC1	841057001	KWTZIUKYQZDEFL-HNNXBMFYSA-N	264.369	1.880	10	20	CDCD	
CCOc1ccc(CN[C@@H]2COC[C@H]2OC)c(O)c1	842752477	MXJLTXVHRNTARG-TZMCWYRMSA-N	267.325	1.294	10	20	CDCD	
CO[C@H](CC(C)C)C(=O)NCc1ccc(O)cc1O	910944956	QFDYOHJIVATHFM-CYBMUJFWSA-N	267.325	1.775	10	20	CDCD	
CN1CCN(c2ccc(CN[C@@H]3CCCNC3)cc2)CC1	841043089	OWIUUHOLVCEVRB-MRXNPFEDSA-N	288.439	1.280	10	20	CDCD	
CN(C)c1ccc([C@H](N)CNCc2ccnn2C)cc1	841044117	TUPBMCHBRXKMLN-OAHLLOKOSA-N	273.384	1.276	10	20	CDCD	
Nc1ccc(CCNC(=O)N[C@@H]2CCc3c[nH]nc3C2)cc1	841856759	KNQXQLCDMUMJKI-CQSZACIVSA-N	299.378	1.391	10	20	CDCD	
CCN(CC)c1ccc(CNC[C@@H]2CNCCO2)cc1	841098445	DXRRCYMFFIAJBZ-INIZCTEOSA-N	277.412	1.611	10	20	CDCD	
COc1ccc(N(C)CC(=O)Nc2cc(C)nn2C)cc1	844353653	UCPITCZSHQXUEM-UHFFFAOYSA-N	288.351	1.812	10	20	CDCD	
CCn1nccc1/C=C1/C(=O)NN(c2ccccc2)C1=O	753716267	COHSDCWUWMPICU-RAXLEYEMSA-N	282.303	1.364	10	20	CDCD	
CC[C@H](NC)C(=O)NCc1c(O)ccc2c1CCCC2	852811504	OQTZMQLXFZOLCS-AWEZNQCLSA-N	276.380	1.885	10	20	CDCD	
CCN(CC)c1ccc(CNc2nc(N)nc(N)n2)cc1	858352547	BJZIPCBUMURIJI-UHFFFAOYSA-N	287.371	1.494	10	20	CDCD	
CC[C@@H](NC)C(=O)N[C@H](C)c1cc(OC)ccc1O	852802697	RQGVLZHQOSQKIM-BXKDBHETSA-N	266.341	1.576	10	20	CDCD	
CCN(CC(=O)O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	929042910	GIWLJHGLMJAKAI-LLVKDONJSA-N	293.367	1.930	10	20	CDCD	
CN(Cc1cc(C(C)(C)C)cc(O)c1O)[C@@H]1CCNC1=O	758402113	SWMGQQMYNKATIC-GFCCVEGCSA-N	292.379	1.716	10	20	CDCD	
CCOc1ccc(CN2CC[S@](=O)C[C@@H](C)C2)c(O)c1	763650795	ZSUFWAZFAXNCCX-YUNKPMOVSA-N	297.420	1.991	10	20	CDCD	
C[C@H]1C[C@H](N[C@@H]2COCC[C@H]2O)c2c(O)ccc(F)c21	866498576	ZWPFGXVJYKYULQ-OHBODLIOSA-N	281.327	1.819	10	20	CDCD	
Cc1cccc(O)c1CN[C@H]1CCCS(=O)(=O)C1	877056730	OKUQYAKSTQGBEE-NSHDSACASA-N	269.366	1.367	10	20	CDCD	
C[C@H]1N(Cc2cc3c(cc2O)OC[C@@H]3O)CCOC1(C)C	768461580	DLQWQKNNZGTNQH-YGRLFVJLSA-N	293.363	1.817	10	20	CDCD	
CCOC(=O)NCC(=O)N[C@H](C)c1ccc(N(C)C)cc1	773002358	ZQNXHJHTNBYCLM-LLVKDONJSA-N	293.367	1.676	10	20	CDCD	
CC(C)[C@@H](CN)CNC[C@H](N)c1ccc(N(C)C)cc1	873210872	RCSHNGDRJDKEID-HOCLYGCPSA-N	278.444	1.573	10	20	CDCD	
COc1cc(O)c(CNC[C@H]2C[C@H](O)C2)cc1OC	877811101	CYGKMJCKLQOFQZ-HOMQSWHASA-N	267.325	1.270	10	20	CDCD	
CCCN(CCN(C)C)C(=O)/C=C\c1ccc(O)c(O)c1	779516189	VLCBZGSKKXZCBW-VURMDHGXSA-N	292.379	1.911	10	20	CDCD	
CCN[C@@H](C)C(=O)N(C)CCN(C)c1ccc(OC)cc1	876949199	OMUOTWBZFGNCIW-ZDUSSCGKSA-N	293.411	1.588	10	20	CDCD	
C[C@H](C[S@](C)=O)N(C)C(=O)c1cc(O)cs1	777182156	IVVNEADDZXPDLM-QZTNRIJFSA-N	261.368	1.293	10	20	CDCD	
Oc1ccccc1CN1CCN(C[C@@H]2CCCO2)CC1	778994410	CRXYTIGJPAPDNP-HNNXBMFYSA-N	276.380	1.689	10	20	CDCD	
Oc1c(Br)cccc1CN1C[C@@H]2CNC[C@H]2C1	770396216	ZAPVXUFEKOXDDG-QWRGUYRKSA-N	297.196	1.806	10	20	CDCD	
COc1cccc(O)c1CN(C)C[C@H]1CCC[C@@H]1O	770292675	OFFHJPKFARRJGN-YPMHNXCESA-N	265.353	1.994	10	20	CDCD	
COC(=O)c1cncc(C(=O)NCc2ccccc2O)c1	774288584	QUCPNZGOCMTYDO-UHFFFAOYSA-N	286.287	1.504	10	20	CDCD	
Nc1ccc(CNC(=O)N[C@H]2CCc3c[nH]nc3C2)cc1	1120524267	JWMQQVHDVNWTQQ-ZDUSSCGKSA-N	285.351	1.349	10	20	CDCD	
CCN(C(=O)NCCc1ccc(N)cc1)[C@@H]1CCNC1	892038170	AVNZNUQLUBOHCS-CQSZACIVSA-N	276.384	1.205	10	20	CDCD	
C[C@H]1CN(Cc2cc(Cl)cc(F)c2O)C[C@H]1O	897680898	MVSFQLGJWYDDFC-WRWORJQWSA-N	259.708	1.997	10	20	CDCD	
CCOc1ccc(CN[C@@H]2C(=O)NCC2(C)C)c(O)c1	895317881	QBHALQSAJWOMTL-CYBMUJFWSA-N	278.352	1.405	10	20	CDCD	
CCN1CCCN(C(=O)c2cc(O)cs2)CC1=O	788006720	ARULGQJAOSTAHI-UHFFFAOYSA-N	268.338	1.148	10	20	CDCD	
CC[C@@H](NC[C@]1(O)CCN(C)C1)c1ccc(C)cc1O	794815294	OMTOEMYNVMPVGE-GDBMZVCRSA-N	278.396	1.808	10	20	CDCD	
CCC[C@@H](NCc1ccc(OC)c(OC)c1O)C(=O)OC	897833665	SZCBPNLWPQYFAK-LLVKDONJSA-N	297.351	1.841	10	20	CDCD	
Oc1c(F)cc(F)cc1CNCCn1cncn1	708519721	OMYFCCQYJLBPOS-UHFFFAOYSA-N	254.240	1.052	10	20	CDCD	
C[C@H]1C[C@@H](C)CN1C(=O)C(=O)NCCc1ccc(N)cc1	1325381850	ZQGQTDOIJHYISV-NEPJUHHUSA-N	289.379	1.184	10	20	CDCD	
CN(C)CCN(Cc1ccccc1O)C[C@@H]1CCCO1	756327977	XXXUMGOJQOGWGK-HNNXBMFYSA-N	278.396	1.935	10	20	CDCD	
CC(=O)N1CCN(C(=O)NCc2ccc(N)cc2)[C@@H](C)C1	1338793728	TVMDUULGUXNZNP-NSHDSACASA-N	290.367	1.031	10	20	CDCD	
COc1cccc(O)c1CNC[C@H]1CCCS1(=O)=O	765267593	OXEMJAGDJDFNQS-SNVBAGLBSA-N	285.365	1.068	10	20	CDCD	
C[C@@H]1CSC[C@H]1NC(=O)NCc1ccc(N)cc1	1335524351	CDNJCHIWRGAOSV-BXKDBHETSA-N	265.382	1.820	10	20	CDCD	
COc1cccc(O)c1CNCC1(S(C)(=O)=O)CC1	793279452	HBZBNFKYCFFCEU-UHFFFAOYSA-N	285.365	1.068	10	20	CDCD	
CC[C@H](F)C(=O)NCc1ccc(N2CCN(C)CC2)cc1	1337504026	WBZDWKUWQAFVOM-HNNXBMFYSA-N	293.386	1.803	10	20	CDCD	
Cc1noc(C)c1CCNC(=O)NCc1ccc(N)cc1	1336813141	YYTYOUBCJTYLQI-UHFFFAOYSA-N	288.351	1.916	10	20	CDCD	
Cc1c(C)n(C)c2ccc(OC(=O)CCn3cnnn3)cc12	1263512007	FDOZUIWXCIXQBE-UHFFFAOYSA-N	299.334	1.777	10	20	CDCD	
C[C@@H](NC(=O)[C@@H]1[C@H]2CCCO[C@H]21)c1ccccc1O	1347269609	VQWBFQSIQNIIAU-WGEPELCKSA-N	261.321	1.994	10	20	CDCD	
C[C@@H](NC[C@](C)(O)C(=O)O)c1ccc(N(C)C)cc1	1604331592	CPJYHDMTCZPYDH-YGRLFVJLSA-N	266.341	1.239	10	20	CDCD	
C[C@H](NCc1ccon1)c1cc(C(=O)O)ccc1O	1604348434	NEMYGIWESCGGRQ-QMMMGPOBSA-N	262.265	1.929	10	20	CDCD	
C[C@@H](N=c1cc[nH]c(C(=O)O)n1)c1ccc(N(C)C)cc1	1604365634	ZCQNJDZTUYUYQP-SNVBAGLBSA-N	286.335	1.836	10	20	CDCD	
CN(C)C(=O)OCOc1ccc(N(C)C)c(C(=O)O)c1	1606002474	GQGROINPLVPCLP-UHFFFAOYSA-N	282.296	1.485	10	20	CDCD	
CC[C@](COC)(NC(=O)c1ccc(C)c(O)c1O)C(=O)O	1609924801	QPIRRLQBYQCKQG-CQSZACIVSA-N	297.307	1.016	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N[C@H](CCF)C(=O)O	1601238792	NUHUHXRFEABYHV-FIFYQCSRSA-N	283.255	1.040	10	20	CDCD	
CC(C)C[C@@H](N)CC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	1575627412	RVUSHJOBWCPMDK-WCQYABFASA-N	294.395	1.909	10	20	CDCD	
CCN(C)c1ccc(CN2C[C@H](O)C[C@H]2C(=O)O)cc1	1596194353	KCIXXQRNSOWTPB-KGLIPLIRSA-N	278.352	1.163	10	20	CDCD	
C[C@@H](NCC[C@H]1CCNC1)c1cc(C(=O)O)ccc1O	1593265156	QJUFFIAEPOCEMI-GHMZBOCLSA-N	278.352	1.741	10	20	CDCD	
CCN(C)C(=O)[C@@H](C)NCc1ccc2c(c1)CCCO2	922047092	XZGLKCBRMNKKBV-GFCCVEGCSA-N	276.380	1.968	10	20	CDCD	
CCN1C[C@H](C(=O)N(C)Cc2ccccc2O)CC1=O	125290226	JRHFMMUYIMTGAL-GFCCVEGCSA-N	276.336	1.219	10	20	CDCD	
Nc1ccc(CC(=O)NCC2(CO)CCCCC2)cc1	157535171	ZFGLYYOQTQDXRF-UHFFFAOYSA-N	276.380	1.870	10	20	CDCD	
CCOC[C@@H](NC(=O)c1cccc(O)c1O)C(C)C	276902263	PSKYSVPQWHDPFR-LLVKDONJSA-N	267.325	1.889	10	20	CDCD	
CCNC(=O)C(C)(C)NCc1cc(C)ccc1O	312823870	PJCAWSLPZWMZEA-UHFFFAOYSA-N	250.342	1.705	10	20	CDCD	
COc1cc(Cl)cc(CN[C@H]2CCCN(C)C2=O)c1O	704388938	WISMTNSTGQRCRG-NSHDSACASA-N	298.770	1.765	10	20	CDCD	
CCc1nc(CNCc2cc(F)cc(F)c2O)n[nH]1	708518087	ZNSYNEUOPVLZEB-UHFFFAOYSA-N	268.267	1.641	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N[C@H]1CCCC[C@@H]1O	181227876	WVYDHJZNBUZFPK-BIVWETNQSA-N	277.320	1.531	10	20	CDCD	
COc1cccc(CNC(=O)NCC2(OC)CCC2)c1O	181805075	TXMZGSQKFVARMC-UHFFFAOYSA-N	294.351	1.769	10	20	CDCD	
CCOc1ccc(O)c(CN2CCC[C@@H]2CO)c1	92471030	JKUTUIRFTPKTIE-GFCCVEGCSA-N	251.326	1.748	10	20	CDCD	
C[C@@H](CC(=O)NCCc1ccc(N)cc1)[C@H]1CCCNC1	237447012	QOWVEISVJWVWHU-ZFWWWQNUSA-N	289.423	1.953	10	20	CDCD	
OC[C@@H](CC1CCC1)NCc1cc2c(cc1O)OCO2	279615539	AHUJNLVZAQDWDA-GFCCVEGCSA-N	279.336	1.762	10	20	CDCD	
C[C@@H](NC[C@@H](O)C(F)(F)F)c1cc([N+](=O)[O-])ccc1O	273429300	VFLKYYKEMUQFQO-LHLIQPBNSA-N	294.229	1.874	10	20	CDCD	
COCCCONC(=O)NCc1ccc(N(C)C)cc1	285315291	ZIBQTGUQSQJASK-UHFFFAOYSA-N	281.356	1.520	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@H]2CCCN2C)cc1	299492060	GHSDICXUIBCEEC-AWEZNQCLSA-N	261.369	1.463	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN[C@@H](C)C[C@@H]1COCCN1	817894699	PZDYOFWXVMGWPG-GOEBONIOSA-N	291.439	1.918	10	20	CDCD	
CSC[C@H](O)CNCCCSc1nccs1	819064411	WVRPWQUPPYWGDD-SECBINFHSA-N	278.468	1.939	10	20	CDCD	
COc1cccc(CNC(=O)CCCCN(C)C)c1O	729858806	CMMJRTKWVRTJSU-UHFFFAOYSA-N	280.368	1.749	10	20	CDCD	
C[C@@H](O)CN(C)Cc1ccc(Br)cc1O	825502382	XBXJQXJXOUMNCF-MRVPVSSYSA-N	274.158	1.967	10	20	CDCD	
CC(C)(N)CCNCc1ccc(N2CCOCC2)c(F)c1	903938537	FPGIVCGGJDKREV-UHFFFAOYSA-N	295.402	1.879	10	20	CDCD	
COc1ccc(O)c(CNC[C@]2(C)CCC(=O)N2)c1	835060117	JCZGGHRIYIJZJG-AWEZNQCLSA-N	264.325	1.159	10	20	CDCD	
O=C(O)/C=C/c1ccc(N(CCO)C2CC2)c([N+](=O)[O-])c1	833196291	QHRIXALHDCCCDN-QHHAFSJGSA-N	292.291	1.654	10	20	CDCD	
CN(C[C@H]1CC2(CCNCC2)CO1)c1ccc(N)cc1	903770209	DWBNOSBSRVLZDC-OAHLLOKOSA-N	275.396	1.864	10	20	CDCD	
C[C@@H]1C[C@H](O)CN(C(=O)/C=C/c2ccc(O)c(O)c2)C1	837174239	WWABGKBWNQCCAG-PEWKINPCSA-N	277.320	1.340	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)[C@@H]1CCc2cncn2C1	830554865	MXWQWMIUXZUIEV-LLVKDONJSA-N	287.319	1.173	10	20	CDCD	
CN(C)c1ccc([C@@H](N)CNC[C@H](N)CC(F)F)cc1	903917932	OVUYXWUEIIBBFP-YPMHNXCESA-N	286.370	1.325	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1cnc[nH]1	907275549	VWBSOVFORIUXNN-SECBINFHSA-N	275.308	1.111	10	20	CDCD	
Cn1cncc1[C@@H]1C[C@H]1C(=O)NCc1ccccc1O	830526589	OOQOXFLGIWVKLR-VXGBXAGGSA-N	271.320	1.546	10	20	CDCD	
C[C@H](NC(=O)NCc1ccccc1O)c1nncn1C	748449816	ANGIIDYBVBRPOH-VIFPVBQESA-N	275.312	1.081	10	20	CDCD	
CN(C)c1ccc(CNc2nccn3cnnc23)cc1F	743460133	FNZUCBWYIDTXJF-UHFFFAOYSA-N	286.314	1.942	10	20	CDCD	
O=C(CCCn1cccc1)NCc1ccc(O)cc1O	910950671	ZWTVRFJMZPYPGU-UHFFFAOYSA-N	274.320	1.996	10	20	CDCD	
C[C@H](NCc1ccc(N(C)C)cc1)c1cnn(C)n1	924573677	JOQWGMVMNLPWMO-NSHDSACASA-N	259.357	1.732	10	20	CDCD	
C[C@@H](NCCN1CC[C@@H](O)C1)c1ccccc1O	858548859	PWXHGOJUQSKOBQ-VXGBXAGGSA-N	250.342	1.109	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)N[C@@H](C)C[S@](C)=O)c1	858358285	NQCJOAHEIIZRHG-OVWNDWIMSA-N	284.381	1.267	10	20	CDCD	
COC(=O)COc1ccc(N(C)C[C@H]2CCC(=O)O2)cc1	851922490	BCMWCADRCVDQSV-CYBMUJFWSA-N	293.319	1.380	10	20	CDCD	
Nc1ccc(CNC(=O)c2noc3c2COCC3)cc1	857845978	FHJCVMXCQBNBPG-UHFFFAOYSA-N	273.292	1.260	10	20	CDCD	
Cc1cc(C(=O)N[C@H]2C[C@@H](CO)C2)c(C)n1-c1ccccn1	869875760	XOMSNLXIILOKLS-OKILXGFUSA-N	299.374	1.990	10	20	CDCD	
CN(Cc1cc2c(cc1O)OC[C@@H]2O)CC1(C)COC1	863296488	MUGQHTAVYPRZBC-ZDUSSCGKSA-N	279.336	1.286	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)C(C)(C)C(N)=O)cc1	767655042	JDNXMHYDPISVPZ-UHFFFAOYSA-N	291.395	1.661	10	20	CDCD	
COC(=O)C[C@]1(NCc2ccc(N(C)C)cc2)CCOC1	766465597	ALGXEFAFLKWYFW-MRXNPFEDSA-N	292.379	1.564	10	20	CDCD	
O=C(CCn1cc(Cl)cn1)NCc1ccccc1O	769364419	FVDSOLSBJZDITK-UHFFFAOYSA-N	279.727	1.949	10	20	CDCD	
COC[C@@H]1CCCN1Cc1cc2c(cc1O)OC[C@@H]2O	768464414	QUJVQJFCSKMXOS-FZMZJTMJSA-N	279.336	1.429	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)NCC(F)F	879757295	UGMOOZSDNJVOKI-SSDOTTSWSA-N	274.267	1.593	10	20	CDCD	
Cc1ccc(CN2CCN3CCOC[C@@H]3C2)c(O)c1	877330385	BQIBSQAXXPFHBN-AWEZNQCLSA-N	262.353	1.217	10	20	CDCD	
COc1ccc(CN[C@H](C)C[C@@H]2CCCC(=O)N2)c(O)c1	877493157	HICZICCLEVNJDM-YPMHNXCESA-N	292.379	1.938	10	20	CDCD	
O=C(N[C@@H](CO)c1ccccc1)c1cc(O)cs1	776194435	MGVWPXYXVMDXII-NSHDSACASA-N	263.318	1.917	10	20	CDCD	
C[C@H](NC[C@]1(O)CCOC1)c1c(O)cccc1F	886556977	OFRSFNVNTMVQRI-TVQRCGJNSA-N	255.289	1.333	10	20	CDCD	
COc1cccc(CNC(=O)[C@@H]2[C@H]3CCCO[C@H]32)c1O	780467947	GVZMDBXSAJSHLO-MPKXVKKWSA-N	277.320	1.442	10	20	CDCD	
COc1cccc(CN[C@H](C)COC(C)=O)c1O	894457471	BTWIBSPWVBFBFT-SECBINFHSA-N	253.298	1.442	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NCCOC(F)(F)F	789857527	PBMWQBRZAPQSLM-DUXPYHPUSA-N	291.225	1.764	10	20	CDCD	
NC(=O)[C@@H]1CCCCN1Cc1cc(F)cc(F)c1O	893904732	MLXDNILBDMOSCI-NSHDSACASA-N	270.279	1.510	10	20	CDCD	
COCC[C@H](C)NC(=O)NCc1ccc(OC)cc1O	792888458	WAYCQXHYQFNVSS-JTQLQIEISA-N	282.340	1.625	10	20	CDCD	
COC1(CC(=O)NCCc2ccc(O)c(O)c2)CCC1	276658084	CMDFEQWKMMYVNL-UHFFFAOYSA-N	279.336	1.716	10	20	CDCD	
CN1CCC[C@@H](NCc2ccc(N(C)C)cc2)C1=O	704337366	CVDZZQIPCYWGAU-CQSZACIVSA-N	261.369	1.463	10	20	CDCD	
O=C(NCc1ccc(N2CCC(O)CC2)cc1)[C@@H]1C[C@H]1F	1347334637	OOGHFBATPKDGAQ-HUUCEWRRSA-N	292.354	1.622	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1C=CCCC1	1346482195	WYDIRYMFIFVDCF-ZDUSSCGKSA-N	288.347	1.576	10	20	CDCD	
COCCC(=O)Nc1c(Cl)ccc2nonc12	1344042725	OAFFSSIXDMBWCW-UHFFFAOYSA-N	255.661	1.851	10	20	CDCD	
Cn1ncc2c1C[C@@H](C(=O)NCc1ccc(N)cc1)CC2	1356228135	OSLNZIICSSSZRS-LBPRGKRZSA-N	284.363	1.424	10	20	CDCD	
COc1cc(O)c(CN[C@@H]2CCC[C@H]2C(=O)O)cc1OC	1607183218	MLJCUZVEYVQWFU-GHMZBOCLSA-N	295.335	1.752	10	20	CDCD	
O=C(O)CCCC(=O)OCC(=O)c1ccc(O)c(O)c1	1608709514	BQSDHJOOHYRAGI-UHFFFAOYSA-N	282.248	1.079	10	20	CDCD	
CCC[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)O	1595992173	WHDMPXRSWYXCAL-ONRRBMGISA-N	279.292	1.481	10	20	CDCD	
CCN(CC(=O)O)Cc1cc(C)cc(OC)c1O	1596225217	SZZXHVZQEPCKJE-UHFFFAOYSA-N	253.298	1.616	10	20	CDCD	
CNC[C@@H](C)C(=O)NCc1ccc(N(C)C)c(F)c1	166460742	PNPMNIZRCYWABJ-SNVBAGLBSA-N	267.348	1.363	10	20	CDCD	
COc1cccc(O)c1CN1CCC[C@@H]1CC(=O)O	1599680599	ZKGOKYGYZYLFOQ-SNVBAGLBSA-N	265.309	1.840	10	20	CDCD	
CCOc1cccc(CNC[C@@H](O)C(F)(F)F)c1O	227439462	GOFLEQABAZLRHX-SNVBAGLBSA-N	279.258	1.804	10	20	CDCD	
C[C@H]1OCC[C@@]1(C)NCc1cc2c(cc1O)OCO2	230153848	XXXHQIKWNHYHDA-YMTOWFKASA-N	265.309	1.778	10	20	CDCD	
CCc1cnc(CNC(=O)c2cccc(O)c2O)o1	234211625	KTWLDZHOXGXDAV-UHFFFAOYSA-N	262.265	1.578	10	20	CDCD	
NCc1ccc2c(c1)CCCN2CCn1cccn1	62801607	LMZRRZROEGQSOJ-UHFFFAOYSA-N	256.353	1.795	10	20	CDCD	
CN(C)c1ccc(CN2CC[C@@H]3NCC[C@@H]3C2)cc1	312074874	JCIRISZGLDBBSY-ZBFHGGJFSA-N	259.397	1.936	10	20	CDCD	
CO[C@@H]1COC[C@@H]1NCc1cc(F)cc(F)c1O	883144843	CIQDNNCLDLUHJZ-WDEREUQCSA-N	259.252	1.174	10	20	CDCD	
CN1CCCc2cc(CNC(=O)NCC(C)(C)O)ccc21	108567874	HYKQYWZQHJQZSX-UHFFFAOYSA-N	291.395	1.639	10	20	CDCD	
CCCN(CC(=O)OC)Cc1cccc(OC)c1O	178870615	ODMBGFQNSIVHGD-UHFFFAOYSA-N	267.325	1.786	10	20	CDCD	
Cc1cccc(CN(C)[C@H]2CCCCNC2=O)c1O	367719996	JMAQGPKSPHAOAG-ZDUSSCGKSA-N	262.353	1.801	10	20	CDCD	
CN(Cc1ccccc1O)C[C@H](O)COC1CCOCC1	120765923	JUETXFZFYHBGMJ-AWEZNQCLSA-N	295.379	1.381	10	20	CDCD	
Cc1nc(O)ccc1C(=O)NCCc1ccc(O)c(O)c1	122799152	SHYZGKNIJAZGKC-UHFFFAOYSA-N	288.303	1.479	10	20	CDCD	
COc1cc(O)c(CN2CCC[C@@](C)(O)C2)cc1OC	180377337	SGTAFGLHBGYORT-OAHLLOKOSA-N	281.352	1.756	10	20	CDCD	
CCN(CC(=O)N(C)C)Cc1cc(F)ccc1O	226562275	DGXLANCWQVQZPH-UHFFFAOYSA-N	254.305	1.441	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@H]2CCNC2)cc1F	237083912	WZYSQJFTNWURCV-LLVKDONJSA-N	265.332	1.117	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NCCN2CCOC[C@@H]2C)c1	248483437	CUDDEEGJLSWIBS-QWHCGFSZSA-N	294.395	1.772	10	20	CDCD	
CC1=CC(C(=O)Nc2nc(-c3ccncc3)n[nH]2)=S=C1C	368395104	YMNVFESSSFEYRP-UHFFFAOYSA-N	299.359	1.863	10	20	CDCD	
CC(C)(CNC(=O)c1cccc(O)c1O)CN1CCCC1	276721704	AOPUJSDCLCCWOZ-UHFFFAOYSA-N	292.379	1.950	10	20	CDCD	
C[C@H](NCCCOCCO)c1cc([N+](=O)[O-])ccc1O	273437215	MEDFYTHSFZHMAU-JTQLQIEISA-N	284.312	1.350	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NCCSCCCO	272449552	NJHNBEDRLMSONH-HWKANZROSA-N	297.376	1.343	10	20	CDCD	
CN(C)c1ccc(CN2CCSC[C@@H]2C(N)=O)cc1	278923256	VEQXOKGLKNEVPU-CYBMUJFWSA-N	279.409	1.155	10	20	CDCD	
COC[C@H](CCO)N[C@H](C)c1ccc(F)c(F)c1O	276988428	XCRDUVJADNAJFA-BDAKNGLRSA-N	275.295	1.718	10	20	CDCD	
CCOC1CC(O)(CN[C@H](C)c2ccccc2O)C1	278552718	VXEJSTYYCFCSEF-XIKARTHZSA-N	265.353	1.973	10	20	CDCD	
C[C@H](NC[C@@H](CO)[C@@H]1CCOC1)c1ccc(F)cc1O	280756882	FCZOLMGKQDYFOS-TUAOUCFPSA-N	283.343	1.827	10	20	CDCD	
COc1ccc(O)c(CNC[C@H]2CC[C@@H](CO)O2)c1	293991493	SCMASXMWGCPQMR-OLZOCXBDSA-N	267.325	1.030	10	20	CDCD	
COC[C@H](C)CNC(=O)c1c(F)ccc(O)c1O	294711292	AFUCEMCLCFUWHE-SSDOTTSWSA-N	257.261	1.249	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc(C)[nH]n1	808095544	IUACQQNUDNQYKW-UHFFFAOYSA-N	280.324	1.839	10	20	CDCD	
C[C@@H]1[C@H](N2CCOCC2)CCN1Cc1cccc(F)c1O	291514399	INRSAURLXPLLEZ-IUODEOHRSA-N	294.370	1.826	10	20	CDCD	
COc1ccc(N2CC[C@H](CNC(=O)NC3CC3)C2)cc1	818047630	HPSHXBNKACEJHI-GFCCVEGCSA-N	289.379	1.983	10	20	CDCD	
COCC1(NCc2cccc(C)c2O)CCOCC1	816625932	QFUTXLVWRIKHIP-UHFFFAOYSA-N	265.353	1.986	10	20	CDCD	
CC(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(N)cc1	818556486	VARQDHXQBLBCTQ-CYBMUJFWSA-N	261.325	1.608	10	20	CDCD	
O=C(CCc1cncnc1)NCCc1ccc(O)c(O)c1	815834145	VARVINHZNOAXMF-UHFFFAOYSA-N	287.319	1.179	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1cnc(N)cn1	829764645	RJGXBFLYQMQWQY-UHFFFAOYSA-N	285.351	1.363	10	20	CDCD	
CN(C)c1ccc(CN2CCC[C@@H]2C(N)=O)cc1F	824960210	UFPIZQDOSYSLDU-CYBMUJFWSA-N	265.332	1.341	10	20	CDCD	
CC[C@H](CNCc1cc2c(cc1O)OCO2)C(=O)O	903704000	BEXKPZKPTXWGAF-MRVPVSSYSA-N	267.281	1.321	10	20	CDCD	
O=C(N[C@H]1CCCC(F)(F)[C@@H]1O)c1cc(O)cs1	839893037	WWDLMGRQBCZETR-IONNQARKSA-N	277.292	1.732	10	20	CDCD	
O=C(c1cc(O)cs1)N1CC[C@H](CCCO)C1	839792939	QFIFBZDHEKTHQM-VIFPVBQESA-N	255.339	1.688	10	20	CDCD	
CN1CC[C@H](NC(=O)NCc2cc(Cl)ccc2O)C1=O	845000920	ACYPZSYLGYTGDA-JTQLQIEISA-N	297.742	1.076	10	20	CDCD	
O=C(O)CN(Cc1ccccc1O)C(=O)[C@@H]1CCCOC1	911484432	BWQBHFOSAYRMFH-GFCCVEGCSA-N	293.319	1.232	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNCCN1CCC(O)CC1	840950440	KNVZTQQUJIUIOO-UHFFFAOYSA-N	291.439	1.607	10	20	CDCD	
C[C@@H](N)CNC(=O)NCc1ccc(N2CCCC2)cc1	841709441	GKJYPWIAHMNPJC-GFCCVEGCSA-N	276.384	1.433	10	20	CDCD	
CCc1nncn1CCNCc1c(O)cccc1Cl	742388438	OVVWKYUUHMZLOV-UHFFFAOYSA-N	280.759	1.989	10	20	CDCD	
COc1cccc([C@H](C)NCc2nnnn2C2CC2)c1O	846154523	NOYBTVSYMJIDSP-VIFPVBQESA-N	289.339	1.573	10	20	CDCD	
COc1cccc(CN[C@@H]2CCN(C(C)(C)C)C2=O)c1O	842722203	ZXVXDOYMRCPTLN-GFCCVEGCSA-N	292.379	1.890	10	20	CDCD	
CCC[C@@H](O)CNC(=O)NCCc1ccc(N)cc1	841954580	OGNSONWKIPTXFB-CYBMUJFWSA-N	265.357	1.272	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@H]2C[C@H]3C[C@H]3N2)cc1	844166664	NDVBVGVOXBTYHO-BNOWGMLFSA-N	259.353	1.119	10	20	CDCD	
NCc1cc(O)nc(CN[C@@H]2CCc3cccc(O)c32)n1	854231225	CQVMOMZGWVVULL-LLVKDONJSA-N	286.335	1.124	10	20	CDCD	
COCCC(=O)COC(=O)/C=C\c1ccc(O)c(O)c1	759595167	IXAAIEQTLFLXCQ-HYXAFXHYSA-N	280.276	1.260	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)CC1OCCO1	935949217	VJNOYXQMIWTGNL-UHFFFAOYSA-N	286.324	1.257	10	20	CDCD	
Nc1ccc(OCc2cn(CCN3CCCC3)nn2)cc1	864653752	XLSUJJJZZDGGIN-UHFFFAOYSA-N	287.367	1.535	10	20	CDCD	
COc1ccc(O)c(CNC(=O)CCCC(=O)N(C)C)c1	769540737	OPDSVHLTXVQMDK-UHFFFAOYSA-N	294.351	1.276	10	20	CDCD	
CCOCCOC1CN(Cc2c(C)cccc2O)C1	877165897	SUYXCSNSUQJQQK-UHFFFAOYSA-N	265.353	1.938	10	20	CDCD	
CCOCc1cc(CN[C@@H](C(=O)O)[C@H](C)O)ccc1OC	1119549969	YPQHWRDYIPPPOP-IINYFYTJSA-N	297.351	1.155	10	20	CDCD	
CONC(=O)C1CCN(Cc2cccc(Cl)c2O)CC1	877786559	NSARJIFCBRMDDI-UHFFFAOYSA-N	298.770	1.935	10	20	CDCD	
CCN(CCO)Cc1ccc(N2CCN(C)CC2)cc1	775639377	WMDWDELJTSRCAB-UHFFFAOYSA-N	277.412	1.253	10	20	CDCD	
CCN1C(=O)C(C)(C)N[C@@H]1c1cc(O)ccc1O	1117945287	RTGBXOHCUFCDER-NSHDSACASA-N	250.298	1.327	10	20	CDCD	
COC(=O)C[C@@H](NC(=O)c1ccc(C)c(O)c1O)C1CC1	770506455	SHCPCBBYQIIELE-LLVKDONJSA-N	293.319	1.478	10	20	CDCD	
CN(C)CC(=O)Nc1c(-c2ccccn2)nc2ccccn12	776428398	YQXSZKKWZWMUNK-UHFFFAOYSA-N	295.346	1.896	10	20	CDCD	
COC(=O)COc1ccc(N(C)CC2(C)COC2)cc1	784554657	LECNOCQBOALGDW-UHFFFAOYSA-N	279.336	1.711	10	20	CDCD	
Cc1cc(C)c([C@@H](C)NCc2nnn(C)n2)c(O)c1	788797149	WSKSCGUOFHCXAC-SNVBAGLBSA-N	261.329	1.383	10	20	CDCD	
Oc1c(F)cc(F)cc1CN1C[C@@H]2CCCN[C@@H]2C1	894032289	GSAJGTIVORUDCS-TVQRCGJNSA-N	268.307	1.854	10	20	CDCD	
NC(=O)[C@H](NC(=O)c1cccc(O)c1O)c1ccccc1	790489175	CCKBRLFGNUHJTH-GFCCVEGCSA-N	286.287	1.054	10	20	CDCD	
CC[C@H](NC[C@@]1(O)CCOC1)c1ccccc1O	186299870	MRFQEZFFZWZTEZ-JSGCOSHPSA-N	251.326	1.584	10	20	CDCD	
COc1ccc(O)c([C@H](C)N[C@H]2CCCN(C)C2=O)c1	704374469	AADHTQRVPBFIKS-GWCFXTLKSA-N	278.352	1.672	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)C(=O)NCc1ccoc1	1327228916	ACMMWNDVPYACRV-UHFFFAOYSA-N	288.303	1.260	10	20	CDCD	
C[C@@H](Cc1ccccn1)NC(=O)Cc1ccc(N)cc1	694018666	IZWYJRWIHDDNBJ-LBPRGKRZSA-N	269.348	1.954	10	20	CDCD	
COc1ccc(N2CCN(CC3(C)COC3)CC2)cc1	743835922	KSWBAKGVLDUVDT-UHFFFAOYSA-N	276.380	1.854	10	20	CDCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1C[C@H]1F	1263703393	RIIGVENJIHLALC-HUUCEWRRSA-N	292.354	1.840	10	20	CDCD	
CN(C(=O)c1cccc2c1CCN2)c1cnn(C)c1	1343438431	FRBZJFVOOYFXGG-UHFFFAOYSA-N	256.309	1.665	10	20	CDCD	
CN1CCN(c2ccc(CN[C@H]3C[C@H](O)C3)cc2F)CC1	1350584928	XRSCXOXSEZONLP-HDJSIYSDSA-N	293.386	1.190	10	20	CDCD	
O=C(NCc1cccc(O)c1O)c1ccnc(C2CC2)n1	1528770588	ASLYCUHGAUCTBH-UHFFFAOYSA-N	285.303	1.695	10	20	CDCD	
COc1ccc(CNC(=O)c2ccc(C(=O)O)o2)c(O)c1	1607257875	ADMZCQHOUPNFQH-UHFFFAOYSA-N	291.259	1.622	10	20	CDCD	
COc1cc(/C=C\C(=O)O)ccc1OCC(=O)C(C)=O	1610293726	CZTIMMWMXQZVTN-XQRVVYSFSA-N	278.260	1.330	10	20	CDCD	
Cc1cc(-c2nn[nH]n2)cc(NCc2cc(O)ccc2O)n1	1591859835	ODNPDIOVSCCOTP-UHFFFAOYSA-N	298.306	1.593	10	20	CDCD	
CNC(=O)CN(c1ccc(OC)c(F)c1)C(C)C	156775400	WLAQTVKPBSESMC-UHFFFAOYSA-N	254.305	1.795	10	20	CDCD	
CC[C@H]1CN(C(=O)Cc2ccc(N)cc2)CC[C@H]1N	834646323	CLIBLNRAESCSNU-GXTWGEPZSA-N	261.369	1.397	10	20	CDCD	
CO[C@H](CNCc1cc(C)ccc1O)[C@@H]1CCOC1	850342517	MDBYMAHRNUQMGP-IUODEOHRSA-N	265.353	1.842	10	20	CDCD	
Nc1ccc(CC(=O)N2CCN3CCC[C@H]3C2)cc1	37812596	JAPKNDBCHQIDJZ-AWEZNQCLSA-N	259.353	1.118	10	20	CDCD	
CN1CC[C@]2(CCN(C(=O)c3cccc(O)c3O)C2)C1	293949672	SAUZZKQVMDXOOV-HNNXBMFYSA-N	276.336	1.266	10	20	CDCD	
CC1(C)C[C@@H](O)CCN(C(=O)c2cccc(O)c2O)C1	296881827	JHMLXPCAMAVOMA-JTQLQIEISA-N	279.336	1.721	10	20	CDCD	
NC(=O)C[C@H]1CCN(Cc2cc(Cl)ccc2O)C1	368134749	NFRMSMLRQOBLEN-SECBINFHSA-N	268.744	1.743	10	20	CDCD	
CCNC(=O)[C@H](C)NCc1cccc(CC)c1O	691481129	FWLBPUVMOGILGS-JTQLQIEISA-N	250.342	1.569	10	20	CDCD	
CCN1C[C@@H](N[C@H](C)c2cc(F)ccc2O)CC1=O	391524135	DYCAOOZNDJALBJ-KOLCDFICSA-N	266.316	1.803	10	20	CDCD	
Cc1ccc(O)c(CN(C)[C@H]2CCC(=O)N(C)C2)c1	862427867	GGPCOOFMFWUEJL-ZDUSSCGKSA-N	262.353	1.753	10	20	CDCD	
CN(C)c1ccc(CN(CCO)CCCO)cc1F	124430497	ALVTWIXAFDVRHM-UHFFFAOYSA-N	270.348	1.068	10	20	CDCD	
CCCCN(CC(N)=O)Cc1cccc(C)c1O	124551521	HTMBWSAACVJLGY-UHFFFAOYSA-N	250.342	1.788	10	20	CDCD	
CC[C@H](NCC(=O)N(C)CC)c1ccccc1O	183348281	PQYMAXLMTWBQLU-LBPRGKRZSA-N	250.342	1.911	10	20	CDCD	
Nc1ccc(CC(=O)N2C[C@H]3[C@@H](N)CCC[C@H]3C2)cc1	374597801	VCMVTHBFANYMER-CFVMTHIKSA-N	273.380	1.397	10	20	CDCD	
COC(=O)COc1ccc(N(C)Cc2nncn2C)cc1	183803376	XWTBLCJIFIWNET-UHFFFAOYSA-N	290.323	1.003	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2ccnn2C)cc1	82267657	LTTJHFWXGDFKFB-UHFFFAOYSA-N	258.325	1.416	10	20	CDCD	
CCN1CCCC[C@@H]1CNC(=O)c1cccc(O)c1O	193062808	REMYXGOXBPQJCD-LLVKDONJSA-N	278.352	1.702	10	20	CDCD	
C[C@@H]1OCC[C@H]1C(=O)N1CCOc2cc(N(C)C)ccc21	92440245	FKIPFUPRWRQRTA-WCQYABFASA-N	290.363	1.903	10	20	CDCD	
CC(C)NC(=O)[C@@H](C)NCc1cc(F)ccc1O	232644708	HLZZKNNYJBQAHL-SECBINFHSA-N	254.305	1.534	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CCOC1	266348540	OGPLWJRBWJOHDG-NSHDSACASA-N	276.336	1.515	10	20	CDCD	
CCC1(O)CCN(C(=O)c2ccc(C)c(O)c2O)CC1	272732307	KEJIXLLPSRAIBQ-UHFFFAOYSA-N	279.336	1.783	10	20	CDCD	
O=C(N[C@@H]1CCO[C@]2(CCOC2)C1)c1cccc(O)c1O	366150688	FFEUFDUUNZQUHU-MEBBXXQBSA-N	293.319	1.166	10	20	CDCD	
O=C(NCc1ccccc1O)NO[C@H]1CCCCO1	274943536	OEINEBAIOZUFTA-LBPRGKRZSA-N	266.297	1.650	10	20	CDCD	
O=C(CCc1nccs1)NCCc1ccc(O)c(O)c1	270561582	UKRQABWDDMTATI-UHFFFAOYSA-N	292.360	1.846	10	20	CDCD	
COC[C@H](NCc1cc([N+](=O)[O-])ccc1O)[C@@H]1CCCO1	278591111	GYEMRFQJSCGUCX-JSGCOSHPSA-N	296.323	1.584	10	20	CDCD	
COC(=O)[C@@H]1C[C@H](OC)CCN1Cc1cc(F)ccc1O	378502599	VZBNPPZJURLZEW-OLZOCXBDSA-N	297.326	1.684	10	20	CDCD	
COC(=O)C(C)(C)CCNC(=O)NCc1ccccc1O	287013861	RORDXLGIPJWGDI-UHFFFAOYSA-N	294.351	1.781	10	20	CDCD	
COC[C@H](O)CN[C@H](C)c1c(C)cc(C)cc1O	285363798	VREGWIOTIDTWNN-VXGBXAGGSA-N	253.342	1.667	10	20	CDCD	
C[C@@H]1C[C@H](N2CCOCC2)CN1Cc1ccccc1O	289188860	ASOJEGYAZSTOGB-HIFRSBDPSA-N	276.380	1.687	10	20	CDCD	
COCCOC[C@H](O)CN(C)c1ccc(OC)cc1OC	294866318	CSHHXZAJMQEZAW-GFCCVEGCSA-N	299.367	1.164	10	20	CDCD	
Cc1ccc(/C=C2/SC(=S)N(CC(N)=O)C2=O)o1	727176661	NVIFJPDAMGKDDQ-XBXARRHUSA-N	282.346	1.275	10	20	CDCD	
O=S(=O)(Nc1ccc(O)cc1)N1C[C@H]2CC[C@H]1C2	821118521	ANYMWAQWUXCRMW-ONGXEEELSA-N	268.338	1.533	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)CCn2ccnc2)c1	728982239	LBZWEQVLPYIOMO-LLVKDONJSA-N	289.335	1.865	10	20	CDCD	
Cc1ccc(O)c(CN2CC[C@H](N3CCOC3=O)C2)c1	826994342	DKMZXORIQHTEBM-ZDUSSCGKSA-N	276.336	1.727	10	20	CDCD	
CCN(C)c1ccc(CN2CC[C@](O)(C(=O)O)C2)cc1	903623362	ONOIIOTYAOPSCD-OAHLLOKOSA-N	278.352	1.164	10	20	CDCD	
C[C@@H]1[C@H](C(=O)NCc2ccc(O)cc2O)CCN1C	828108519	WSLUXKVYYGSDBK-BXKDBHETSA-N	264.325	1.054	10	20	CDCD	
CO[C@]1(C)CCCN(C(=O)c2c(F)ccc(O)c2O)C1	830884017	KCEHWNIXGOXLDC-CQSZACIVSA-N	283.299	1.878	10	20	CDCD	
COc1cc(O)c(CNC(C)(C)CN(C)C)cc1OC	835068651	HLAPDQFHBPJBLW-UHFFFAOYSA-N	282.384	1.839	10	20	CDCD	
C[C@H](NC(=O)c1cc(O)cs1)C(=O)N1CCCC[C@H]1C	732282343	MKANVABJCNHXFY-ZJUUUORDSA-N	296.392	1.973	10	20	CDCD	
Cc1nnc(CC(=O)NCc2ccccc2O)s1	830526013	AMOAUYCXAFOAAR-UHFFFAOYSA-N	263.322	1.411	10	20	CDCD	
CNC(=O)C1CN(Cc2c(O)ccc(Cl)c2F)C1	839145330	ZAQNGEQLUQWBJJ-UHFFFAOYSA-N	272.707	1.363	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)N[C@@H]1CCCN(C)C1=O	748664430	KEJWHHBDRXXOGS-GFCCVEGCSA-N	291.351	1.154	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2CCN[C@@H](C)[C@@H]2C)c1O	843056982	DODWSTZIOFOBBC-UWVGGRQHSA-N	295.339	1.491	10	20	CDCD	
CC[C@@H]1CN(C)CCN1Cc1cc2c(cc1O)OC[C@H]2O	840092919	YZPVLGIVBPNFOX-IUODEOHRSA-N	292.379	1.344	10	20	CDCD	
O=C(NCCCCn1ccnc1)NCc1ccccc1O	748460246	MJJCTXRMAGMCFP-UHFFFAOYSA-N	288.351	1.868	10	20	CDCD	
COc1cc(O)c(CN2CC[C@@H]3NCC[C@H]3C2)cc1OC	843126587	KYOKGEFZRDFVRA-AAEUAGOBSA-N	292.379	1.593	10	20	CDCD	
CCN(CC(=O)N1CCO[C@H](C)C1)c1ccc(OC)cc1	746109446	OSNHARJBBQBFFK-CYBMUJFWSA-N	292.379	1.769	10	20	CDCD	
COc1ccc(N(C)CCN(C)C[C@@H]2COCCO2)cc1	844402765	VPEHLPDHBPIHSM-MRXNPFEDSA-N	294.395	1.479	10	20	CDCD	
CCc1cccc(CNC[C@H](O)COCC2CC2)c1O	848895982	XCQKYOYLJDUPCM-HNNXBMFYSA-N	279.380	1.832	10	20	CDCD	
NC(=O)NCc1ccc(C(=O)NCc2ccccc2O)cc1	748355255	WWVSNBYPBCGJJO-UHFFFAOYSA-N	299.330	1.491	10	20	CDCD	
COc1cc(O)c(CN2C[C@H](C)N[C@@H](C)C2)cc1OC	843049951	ZOEHKBWRCURMRQ-QWRGUYRKSA-N	280.368	1.592	10	20	CDCD	
C[C@@H](NC[C@@H](O)CN(C)C)c1cc2c(cc1O)CCCC2	756554563	IIPNLLLUEPQFPK-IUODEOHRSA-N	292.423	1.844	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)NC[C@@H]2COCCO2)c1	756435070	URYUVVGEMJCPNC-ZYHUDNBSSA-N	295.335	1.245	10	20	CDCD	
Nc1ccc(CCNC(=O)C(=O)NCC2=CCCC2)cc1	851687782	IHHRHIPOPIHJGL-UHFFFAOYSA-N	287.363	1.154	10	20	CDCD	
CN(CC1=CCCOC1)C(=O)/C=C/c1ccc(O)c(O)c1	855739056	FMDNCJUNAYFDOF-FNORWQNLSA-N	289.331	1.916	10	20	CDCD	
COc1cc(O)c(CNCc2cccnc2O)cc1OC	862536351	JSARSJYIEAOIQC-UHFFFAOYSA-N	290.319	1.800	10	20	CDCD	
Cc1ccc(O)c(CN2CCN(C[C@H]3CCCO3)CC2)c1	768193270	ZUYGEUQQGHHCAZ-MRXNPFEDSA-N	290.407	1.997	10	20	CDCD	
O=C1NC[C@@H]2CN(Cc3cc(Cl)cc(F)c3O)CCN12	775736524	HWTSREOSIUGHLR-SNVBAGLBSA-N	299.733	1.394	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N1CCCC[C@H]1CO	1116510119	NJZXIDAYFFMDMX-HWPRWLFBSA-N	277.320	1.484	10	20	CDCD	
CC(=O)N[C@@H](C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	773011248	DXIJJUSQWKUBMI-QWRGUYRKSA-N	277.368	1.454	10	20	CDCD	
CCN(C)c1ccc(CN2CCN3C(=O)NC[C@H]3C2)cc1	773753371	HWAYVPGFZRXCPI-HNNXBMFYSA-N	288.395	1.352	10	20	CDCD	
NC[C@H]1CCCCN1C(=O)NCc1ccc(N)cc1	1120677526	RNKXNBCSGDKVHI-CYBMUJFWSA-N	262.357	1.292	10	20	CDCD	
CCN1CC(=O)N[C@H]1c1cc(C)cc(OC)c1O	887330065	XBKLRDYVXYKGGC-CYBMUJFWSA-N	250.298	1.160	10	20	CDCD	
C[C@@H]1CN(Cc2cc(Cl)cc(F)c2O)C[C@H](CO)O1	787417898	QSMZRMZAASOISG-LDYMZIIASA-N	289.734	1.766	10	20	CDCD	
COCCCNCc1ccc(OC)c(OC)c1O	892427418	QJLMYLJPRDYLAR-UHFFFAOYSA-N	255.314	1.536	10	20	CDCD	
COc1ccc(O)c(CN2CC[C@@H](c3n[nH]c(C)n3)C2)c1	895006948	CZPODEXASFLLMP-LLVKDONJSA-N	288.351	1.817	10	20	CDCD	
CC(C)[C@@H](O)C(=O)NCCCSc1nccs1	796414658	HEBWQQFPMJXFST-SECBINFHSA-N	274.411	1.758	10	20	CDCD	
CC(=O)NCCC1=CCN(c2ncncc2Cl)CC1	1089801936	BMIXHHATKZUBTI-UHFFFAOYSA-N	280.759	1.793	10	20	CDCD	
CCOc1ccc(O)c(CN2CC(NC(=O)OC)C2)c1	1325502208	NOOUXVQYDIDXFE-UHFFFAOYSA-N	280.324	1.331	10	20	CDCD	
O=C1NCCC[C@@H]1CNCc1ccc(N2CCCC2)cc1	1328221186	QYKFDEFDIXUQAN-OAHLLOKOSA-N	287.407	1.903	10	20	CDCD	
COc1cccc(CNC(=O)[C@@H]2CCC[C@@H]2OC)c1O	1335820764	OXFFOROPXZLRLM-NEPJUHHUSA-N	279.336	1.832	10	20	CDCD	
CCN(Cc1cc(Cl)ccc1O)[C@H]1CCNC1=O	799737319	BCOGNXLNEBXNDB-NSHDSACASA-N	268.744	1.756	10	20	CDCD	
CN(C[C@@H]1CCCC[C@@H]1O)C(=O)NCc1ccc(N)cc1	1346738684	JKMMNWHKQBCUED-ZFWWWQNUSA-N	291.395	1.961	10	20	CDCD	
COc1ccc(CNC(=O)N[C@@H]2CNCC2(C)C)c(O)c1	1346674295	BFYDXIIMTMJRDR-CYBMUJFWSA-N	293.367	1.198	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N[C@]2(C)CCOC2=O)cc1	1346230662	LFWALDHOJRYNNI-OAHLLOKOSA-N	291.351	1.257	10	20	CDCD	
C[C@H]1SCC[C@@H]1NC(=O)NCc1ccc(N)cc1	1353438081	ITBKODODNQPWMQ-SKDRFNHKSA-N	265.382	1.962	10	20	CDCD	
Cc1cc(NCc2ccccc2O)ncc1-c1nn[nH]n1	1605739254	CCPMEKQOSVQYIW-UHFFFAOYSA-N	282.307	1.888	10	20	CDCD	
Nc1ccc(CC(=O)N2NC(=O)C[C@H]2c2ccccc2)cc1	1580443331	YBKDJXQVFYOOFI-HNNXBMFYSA-N	295.342	1.816	10	20	CDCD	
COc1cc(Cl)cc(CN2CCN(C)C[C@@H]2CN)c1O	229104529	DIJZQZYJPLADPQ-LBPRGKRZSA-N	299.802	1.129	10	20	CDCD	
CC(C)(C)NC(=O)CCNC(=O)c1cccc(O)c1O	126535853	YSJTYZAMESZKEE-UHFFFAOYSA-N	280.324	1.132	10	20	CDCD	
COCCn1cc(NC(=O)Cc2ccc(N)cc2)cn1	37043701	CJOBRHGKQNLLTF-UHFFFAOYSA-N	274.324	1.293	10	20	CDCD	
Nc1ccc(CC(=O)N2CCO[C@H]3CCC[C@H]32)cc1	43423261	MJHRYCQZJHGIJN-KGLIPLIRSA-N	260.337	1.591	10	20	CDCD	
Cc1nc(CCN[C@@H]2CCc3cccc(O)c32)n[nH]1	296469891	OIBPCWFCEKMCOO-LLVKDONJSA-N	258.325	1.638	10	20	CDCD	
Cc1occc1C(=O)NCCc1ccc(O)c(O)c1	96968142	VYXJOEDHCIDMGV-UHFFFAOYSA-N	261.277	1.972	10	20	CDCD	
CCN1C[C@H](NCc2cc(F)cc(F)c2O)CC1=O	708536113	WSTMSVDEEFDHMU-SNVBAGLBSA-N	270.279	1.381	10	20	CDCD	
N[C@@H]1CC=C(C(=O)N2CCCOc3ccccc32)C1	695660210	VWXUGPKOIJOUSS-GFCCVEGCSA-N	258.321	1.850	10	20	CDCD	
O=C(CNCc1cc(Br)ccc1O)NC1CC1	227436459	LBCRQAHUSCQSCQ-UHFFFAOYSA-N	299.168	1.523	10	20	CDCD	
C[C@H](O)CN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1	179582124	RWDISWPSBWUKKG-RYUDHWBXSA-N	282.359	1.694	10	20	CDCD	
CCOc1cccc(CN2CCC[C@H](OCCO)C2)c1O	179574447	CVQMYEGYPGBUOD-AWEZNQCLSA-N	295.379	1.764	10	20	CDCD	
CC[C@@H](CCO)CNC(=O)c1cccc(O)c1O	126633173	HHNHNLMUTVVEAQ-VIFPVBQESA-N	253.298	1.236	10	20	CDCD	
COc1cc(N2CCC[C@@H](CO)C2)c([N+](=O)[O-])cc1OC	213617902	ZREPQQZEKKEYOK-SNVBAGLBSA-N	296.323	1.821	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H](C)c2cnn(C)c2)c(O)c1O	97059420	YMZJEHHJOASXRO-VIFPVBQESA-N	275.308	1.631	10	20	CDCD	
COc1cccc(CNC(=O)NCCOCC2CC2)c1O	266858190	RRMOALCNFOCHOP-UHFFFAOYSA-N	294.351	1.627	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCC[C@@H]1c1ncc[nH]1	365695502	OSNXVWZTPPJPPS-SNVBAGLBSA-N	273.292	1.798	10	20	CDCD	
COC[C@H](NC(=O)c1ccc(C)c(O)c1O)[C@@H]1CCCO1	279341455	DUXGCXKYUXSPMX-RYUDHWBXSA-N	295.335	1.330	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H]2CCCc3cn[nH]c32)c(O)c1O	272799931	YJIRHSYZEYAMJL-LLVKDONJSA-N	287.319	1.937	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNC[C@@H](C)C[C@@H](C)O)c1O	278480014	JCEMYWNDLOMLQD-VHSXEESVSA-N	298.339	1.806	10	20	CDCD	
C[C@@H]1c2nncn2CCN1Cc1ccc(N(C)C)cc1	276852459	VEHLOXRQHYPYDX-GFCCVEGCSA-N	271.368	1.921	10	20	CDCD	
C[C@@H](CC(N)=O)C(=O)N(C)Cc1ccc(N(C)C)cc1	283063513	UHDKTZXHGGJXTA-NSHDSACASA-N	277.368	1.223	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCOC[C@@H]1[C@@H]1CCCO1	376231966	UBXSTVABHHRFMW-YPMHNXCESA-N	293.319	1.118	10	20	CDCD	
COc1ccc2nc(SCC(=O)C(C)=O)[nH]c2c1	288317036	CXEOGLAHVYLMHP-UHFFFAOYSA-N	264.306	1.822	10	20	CDCD	
COCCOC[C@H](O)COc1ccc(N2CCCC2)cc1	295929656	HSNPIKWOSMMGKX-HNNXBMFYSA-N	295.379	1.690	10	20	CDCD	
COc1ccc(O)c(CN[C@]2(C)CCOC2=O)c1	290772388	CFRGKWNTACSVHS-CYBMUJFWSA-N	251.282	1.196	10	20	CDCD	
CC(=O)C(=O)COc1cc([N+](=O)[O-])ccc1Cl	808024075	JJSHCDBPCSPMSS-UHFFFAOYSA-N	257.629	1.785	10	20	CDCD	
CC(C)(C)OC(=O)CNC(=O)c1c(F)ccc(O)c1O	295304382	RIQPOQMCAIWKEX-UHFFFAOYSA-N	285.271	1.308	10	20	CDCD	
Cn1cc(/C=C/C(=O)N2CCNCc3ccccc32)cn1	818543344	QHLDXNOXWKLPRL-VOTSOKGWSA-N	282.347	1.570	10	20	CDCD	
Cc1cc(CN2C[C@@H](CO)O[C@H](C)C2)ccc1N(C)C	815100859	WAPHEXWXUOQGSC-HIFRSBDPSA-N	278.396	1.643	10	20	CDCD	
COc1ccc(CNC(=O)[C@@H]2C[C@H]3CC[C@H]2NC3)c(O)c1	818000719	UMOUHSTYPGAGGR-LERXQTSPSA-N	290.363	1.405	10	20	CDCD	
COc1ccc(O)c(CN(CC(=O)O)C2CCOCC2)c1	833733518	JKFDRCKPGXLFLG-UHFFFAOYSA-N	295.335	1.466	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)[C@H]2C[C@@H]2C(=O)O)cc1	737089350	SXUHDCFZSSDVRO-KBPBESRZSA-N	290.363	1.870	10	20	CDCD	
CC[C@H](O)[C@H](C)C(=O)NCCc1ccc(O)c(O)c1	901121140	BCHUJWUFOYHJQE-ONGXEEELSA-N	267.325	1.164	10	20	CDCD	
C[C@H](NC(=O)[C@H]1CCCN1C=O)c1ccc(N(C)C)cc1	832431806	VFUSRBBRKCTSJD-SWLSCSKDSA-N	289.379	1.551	10	20	CDCD	
CCN1C[C@@H](CNCc2cc([N+](=O)[O-])ccc2O)CC1=O	846092246	BBFJYDFXFOYTLK-SNVBAGLBSA-N	293.323	1.258	10	20	CDCD	
C[C@@H]1CCN(Cc2cccc(F)c2O)C[C@H]1CN	841100537	HCLNCBUIHSIMGI-ZYHUDNBSSA-N	252.333	1.948	10	20	CDCD	
CCOc1ccc(O)c(CN2CCC[C@H]3CNC[C@H]32)c1	841027923	ZYNNQAVRBIKYKM-SWLSCSKDSA-N	276.380	1.975	10	20	CDCD	
COc1cccc(CN[C@H]2CCNCC2(C)C)c1O	841073676	VXWWZJFQRIQDLQ-ZDUSSCGKSA-N	264.369	1.879	10	20	CDCD	
COc1cc(O)c(CN2CCNC[C@H]2C)cc1OC	843047190	JDPNCDKMHJGBON-SNVBAGLBSA-N	266.341	1.203	10	20	CDCD	
CC(C)NC(=O)[C@@H](C)N[C@H](C)c1cc([N+](=O)[O-])ccc1O	840891363	RIVGXKYTKDFFMD-NXEZZACHSA-N	295.339	1.864	10	20	CDCD	
COc1cccc(O)c1CNCC1(N)CCCC1	849349748	HYRKNSMKGWLBDF-UHFFFAOYSA-N	250.342	1.762	10	20	CDCD	
CC(C)[C@H]1CCN1C(=O)C(=O)Nc1ccc(N)cc1	841113485	GJAXNIBFXNJFTQ-GFCCVEGCSA-N	261.325	1.464	10	20	CDCD	
COc1ccc(O)c(CN[C@@H]2CC[C@H](C(=O)O)C2)c1	843038146	DLTRTMSPDZUWGR-GXSJLCMTSA-N	265.309	1.744	10	20	CDCD	
CN1CCCc2cc(CNC(=O)[C@H]3C[C@@H](N)C3)ccc21	844177188	APHCHBZWDOGVSB-OKILXGFUSA-N	273.380	1.423	10	20	CDCD	
CO[C@@]1(C)C[C@H]1NC(=O)NCc1ccc(N(C)C)cc1	852688672	XBTSAECWUGWVPR-HIFRSBDPSA-N	277.368	1.729	10	20	CDCD	
Cc1cccc(CNCc2cc(C(N)=O)no2)c1O	757905221	GVSICEYFZWCSIG-UHFFFAOYSA-N	261.281	1.077	10	20	CDCD	
Nc1ccc(CCNC(=O)N2CC[C@@H]3C[C@@H]3C2)cc1	851665559	VTMKMWYJOCYGIT-CHWSQXEVSA-N	259.353	1.863	10	20	CDCD	
COC[C@@](C)(CC(=O)OC)NCc1cccc(OC)c1O	757926468	LUDWAFUVHBCUGM-OAHLLOKOSA-N	297.351	1.459	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N2CC(F)C2)cc1	753073922	ZXCKABKHUCSWHL-UHFFFAOYSA-N	251.305	1.616	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)Cc1nc[nH]n1	865904214	KPYQMGCMYHUTHK-UHFFFAOYSA-N	273.340	1.038	10	20	CDCD	
CN1CCN(Cc2cc(F)c(N(C)C)cc2F)CC1=O	862246723	TZVVLKYUOFVOSO-UHFFFAOYSA-N	283.322	1.305	10	20	CDCD	
COCCN(CC(=O)N(C)C)Cc1ccc(C)cc1O	876608643	CTAYKHUFEZWMKT-UHFFFAOYSA-N	280.368	1.237	10	20	CDCD	
O=[N+]([O-])c1cc(Cl)cc(CN2C[C@@H]3CC[C@H](C2)N3)c1O	873217689	PECSRSNSCHIHIZ-PHIMTYICSA-N	297.742	1.890	10	20	CDCD	
C[C@@H](N=c1ncnc2[nH]n(C)cc1-2)c1ccc(N(C)C)cc1	773898925	GUMAYAHKYWQJFE-LLVKDONJSA-N	296.378	1.976	10	20	CDCD	
CC[C@@H](O)CNCc1ccc(OC)c(Cn2cccn2)c1	873136388	ABUJTCCIICQZOD-OAHLLOKOSA-N	289.379	1.801	10	20	CDCD	
CCCCCNC(=O)COC(=O)c1cccc(O)c1O	776281612	ILSALHAJCIWXLI-UHFFFAOYSA-N	281.308	1.561	10	20	CDCD	
COC[C@](C)(O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	775406357	XRTRFPBMDKYWSP-NHYWBVRUSA-N	280.368	1.327	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)c1cccc2[nH]ncc12	778929897	OIABNYLIQSRCHM-UHFFFAOYSA-N	283.287	1.904	10	20	CDCD	
CC[C@H]1C(=O)N(CC)CCN1Cc1cc(OC)ccc1O	779215176	JZADRMFILZRBJN-AWEZNQCLSA-N	292.379	1.844	10	20	CDCD	
CCCCNC(=O)COC(=O)c1cccc(O)c1O	776284297	UXLBGWAVEWIWGL-UHFFFAOYSA-N	267.281	1.171	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N[C@H]1CC[C@H](O)CC1	779533375	FMQFFTNFUMQSOV-VLEYTRLUSA-N	277.320	1.531	10	20	CDCD	
COC(=O)N1CC(N[C@H](C)c2c(O)cccc2F)C1	886553546	PPGIIXDTQDSJDQ-MRVPVSSYSA-N	268.288	1.633	10	20	CDCD	
CNC(=O)C[C@H](C)N[C@H](C)c1c(O)cccc1F	886620277	GHHOPEAINGVLHQ-DTWKUNHWSA-N	254.305	1.707	10	20	CDCD	
C[C@H](O)CN1CCN(Cc2cc(Cl)ccc2O)[C@@H](C)C1	793586085	FRPWFWKHTAXWKD-RYUDHWBXSA-N	298.814	1.933	10	20	CDCD	
CC[C@H](NCc1nnn(C)n1)c1ccc(C)cc1O	794829672	VUUFLYRZTBZKKV-NSHDSACASA-N	261.329	1.465	10	20	CDCD	
COc1ccc(CNC(=O)NC[C@H](OC)C(C)C)c(O)c1	792989258	INOUYDHIDQGVBT-AWEZNQCLSA-N	296.367	1.871	10	20	CDCD	
CCNC(=O)CN[C@H](C)c1cc(OC)ccc1O	36780408	YICHPMSMSZLPRB-SECBINFHSA-N	252.314	1.188	10	20	CDCD	
Cc1ccc(CNCCS(=O)(=O)N2CCCC2)c(O)c1	897826984	XLWOWRCNHXPRII-UHFFFAOYSA-N	298.408	1.216	10	20	CDCD	
CC(C)(CCO)NCc1ccc(N2CCOCC2)cc1	135225029	VONMEIDLJCKUOA-UHFFFAOYSA-N	278.396	1.774	10	20	CDCD	
CC(=O)N1CCC(C(=O)NCCc2ccc(N)cc2)CC1	1325826843	XXYFDGQBWYYXDZ-UHFFFAOYSA-N	289.379	1.186	10	20	CDCD	
Cc1ccc(O)c(CNS(=O)(=O)Cc2ccon2)c1	1331574734	PJXAUFJLVCMTQY-UHFFFAOYSA-N	282.321	1.308	10	20	CDCD	
CCc1cccc(CN[C@@H]2CCCS(=O)(=O)C2)c1O	691452472	KDHIAZQUOPEAGK-CYBMUJFWSA-N	283.393	1.621	10	20	CDCD	
Oc1cc(Br)ccc1CN[C@H]1COC[C@H]1O	691487736	IBFFGLBZNRLWJF-GXSJLCMTSA-N	288.141	1.004	10	20	CDCD	
CN[C@@H](C)CCNC(=O)NCc1ccc(N)cc1	1335552007	TYLZEDSQYSSNGX-JTQLQIEISA-N	250.346	1.066	10	20	CDCD	
Nc1ccc(CNC(=O)N[C@H](CO)CC(F)F)cc1	1357792054	RZZQFNYUDHFTEH-JTQLQIEISA-N	273.283	1.084	10	20	CDCD	
CC1(C)[C@@H](C(=O)N2Cc3cccc(O)c3C2)C[C@H]1N	1576373447	UGCIUTFXPKNQOW-DGCLKSJQSA-N	260.337	1.608	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@]1(F)CCNC1	1573786568	VRTRVDHIWCRFQO-AWEZNQCLSA-N	287.331	1.196	10	20	CDCD	
C[C@@H]1C[C@@H](C(=O)O)CN(C(=O)Cc2ccc(O)c(O)c2)C1	1589269105	PVICPTCMVJIWNZ-MWLCHTKSSA-N	293.319	1.210	10	20	CDCD	
CC[C@@H](C(=O)O)C(=O)N[C@H](C)c1ccccc1O	1594757556	GHOAQLFUPITVRV-RKDXNWHRSA-N	251.282	1.680	10	20	CDCD	
CCOc1cccc(CN[C@](C)(COC)CC(=O)O)c1O	1597155167	HJYCQHOJUJXYFB-HNNXBMFYSA-N	297.351	1.760	10	20	CDCD	
O=C(O[C@@H](C(=O)O)C1CC1)c1cccc(O)c1O	1595272987	DTMZECMGGPQNQK-SNVBAGLBSA-N	252.222	1.118	10	20	CDCD	
C[C@@H](NC(=O)c1cc(C(=O)O)ccn1)c1ccccc1O	1599840586	SFCHTGFWGKIGOE-SECBINFHSA-N	286.287	1.976	10	20	CDCD	
COc1cc(C(=O)NCc2ccc(N(C)C)c(F)c2)on1	155663479	VAQQDJYBIVIVGO-UHFFFAOYSA-N	293.298	1.818	10	20	CDCD	
c1cc2c(cc1CNCCO[C@H]1CCOC1)CCCO2	922936037	XDCDDILFLQPJSS-HNNXBMFYSA-N	277.364	1.907	10	20	CDCD	
C[C@@H](CN1CCCC1=O)NCc1ccc2c(c1)CCO2	37782715	KLCVPDAMZUTYBS-LBPRGKRZSA-N	274.364	1.722	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CC[C@H](O)[C@@H](C)C2)c1O	166477354	UPCIOPBHEKNMAY-XPTSAGLGSA-N	281.327	1.937	10	20	CDCD	
C[C@H]1CS(=O)(=O)C[C@H]1NCc1cccc(Cl)c1O	290257250	WGRZYDOCUWWCIF-GZMMTYOYSA-N	289.784	1.568	10	20	CDCD	
OC[C@]1(NCc2cc(Cl)ccc2O)CCOC1	184190365	CSISEABFAFWJJP-GFCCVEGCSA-N	257.717	1.287	10	20	CDCD	
COCC[C@](C)(O)CN[C@H](C)c1cc(OC)ccc1O	185467270	KUIUMFHEWBPUMN-ABAIWWIYSA-N	283.368	1.839	10	20	CDCD	
CN1CC[C@@H](N(C)Cc2cc(F)cc(F)c2O)C1=O	708398528	GFWGXZXUHGWAPQ-LLVKDONJSA-N	270.279	1.333	10	20	CDCD	
C[C@@H](CN[C@H](C)c1ccccc1O)S(C)(=O)=O	697619649	FJFMZESZXUCJSY-VHSXEESVSA-N	257.355	1.476	10	20	CDCD	
CO[C@@H]1CCCC[C@H]1NC(=O)c1cccc(O)c1O	279110742	WFNZXVASAMRRSM-ZYHUDNBSSA-N	265.309	1.785	10	20	CDCD	
Oc1cc2c(cc1CN[C@H]1c3ccccc3C[C@@H]1O)OCO2	119193606	QJEJFGNJGAKDFT-YOEHRIQHSA-N	299.326	1.869	10	20	CDCD	
Cc1ccc(O)c(CN(CCO)C2CCN(C)CC2)c1	305218701	SIIGOGKPVHRXSV-UHFFFAOYSA-N	278.396	1.589	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)Nc1cccnn1	120405580	MRUSQAOGWJPGLZ-UHFFFAOYSA-N	258.281	1.846	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)[C@H]1C[C@]12CCOC2	363799273	SKDZKIJRHSDCAZ-ABAIWWIYSA-N	277.320	1.183	10	20	CDCD	
C[C@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)CCCO1	181024256	VLWVGICXRRWYSE-MALLOTDXSA-N	277.320	1.748	10	20	CDCD	
C[C@H](O)C[C@H](C)CNC(=O)/C=C/c1ccc(O)c(O)c1	180804093	VEUUHUILBFUFPW-LJRGRFNSSA-N	279.336	1.634	10	20	CDCD	
O=C(Nc1ccc2oc(=O)[nH]c2c1)c1cccc(O)c1O	187256817	JKNNPGYSWRDZJW-UHFFFAOYSA-N	286.243	1.785	10	20	CDCD	
COC[C@H]1CN(Cc2cc(F)ccc2O)C[C@H](C)O1	188374834	OQBJJTNQMPGVSP-GXFFZTMASA-N	269.316	1.767	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1cccc[n+]1[O-]	44915474	YCLSAUHSHYDISV-UHFFFAOYSA-N	285.347	1.658	10	20	CDCD	
CC(=O)NCC1CCN(C(=O)c2cccc(O)c2O)CC1	226307264	BICRJSSZUDBXEJ-UHFFFAOYSA-N	292.335	1.086	10	20	CDCD	
O=C(C[C@@H]1CCCO1)NCCc1ccc(O)c(O)c1	178424660	DCJMOVHUXYNYEM-NSHDSACASA-N	265.309	1.326	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2CCN1CCCC1=O	266858344	IMGDEZATDHJNOI-UHFFFAOYSA-N	289.379	1.574	10	20	CDCD	
CCOc1ccc(O)c(CN[C@H]2CC(=O)N(C)C2)c1	263789236	XKDKFQKNSAIRPD-NSHDSACASA-N	264.325	1.111	10	20	CDCD	
CC(C)[C@@H](CCO)NC(=O)/C=C/c1ccc(O)c(O)c1	272360855	BNMKAKRWFDTBQR-FVOPLDGLSA-N	279.336	1.634	10	20	CDCD	
Cc1ccc(C(=O)N2CCn3cnnc3[C@H]2C)c(O)c1O	276892838	MVRFDCSQFNMRKX-SECBINFHSA-N	288.307	1.215	10	20	CDCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](C)O	276163675	GJAGXOIVZAINJF-GFCCVEGCSA-N	264.369	1.870	10	20	CDCD	
COCCN1CC[C@@H](N[C@H](C)c2cc(OC)ccc2O)C1	273584269	NIGJHMANOVRCLA-CHWSQXEVSA-N	294.395	1.772	10	20	CDCD	
CN[C@@H](C(=O)N(C)Cc1ccccc1O)c1cnn(C)c1	285691637	OQERQFMXKCFQHP-CQSZACIVSA-N	288.351	1.045	10	20	CDCD	
CNCCC(=O)N1CCCN(c2ccc(OC)cc2)CC1	375822796	GUQCZTSUGXNBNW-UHFFFAOYSA-N	291.395	1.343	10	20	CDCD	
C[C@@H]1CCNC[C@@H]1NC[C@@H](N)c1ccc(N(C)C)cc1	817941057	IKSXHLUOESWQSM-WQVCFCJDSA-N	276.428	1.340	10	20	CDCD	
Cn1ncc(CNCCCSc2nccs2)n1	815124938	OYJZGUXDMUUANY-UHFFFAOYSA-N	269.399	1.544	10	20	CDCD	
CCN(C(=O)/C=C\c1ccc(O)c(O)c1)[C@@H](C)CO	818633615	DXPXWYVCMCRNPM-BXKUYDPTSA-N	265.309	1.340	10	20	CDCD	
O=C(NCc1ccccc1O)NCc1nccn1C(F)F	726708548	CLHWYVBTROTQIH-UHFFFAOYSA-N	296.277	1.983	10	20	CDCD	
CCN(Cc1cc2c(cc1O)OC[C@H]2O)C[C@@H](C)OC	812304517	XEOOXXDQBHSILJ-QMTHXVAHSA-N	281.352	1.675	10	20	CDCD	
CC(C)C[C@@H](CNC(=O)c1cc(O)cs1)C(=O)O	826779766	KHILBXPESAUWLR-QMMMGPOBSA-N	271.338	1.930	10	20	CDCD	
C/C(=C/COC(=O)c1ccc(C)c(O)c1O)C(=O)O	825775601	WARZAMNNAASKKZ-YVMONPNESA-N	266.249	1.594	10	20	CDCD	
CN(C)c1ccc(CNC(=O)C[C@@H](N)C2CC2)cc1F	827906663	QYMPSZMTSGLZMA-CYBMUJFWSA-N	279.359	1.635	10	20	CDCD	
COc1cc(N(C)CCNC(C)=O)c([N+](=O)[O-])cc1OC	826648646	DUASRLPRXVWYEZ-UHFFFAOYSA-N	297.311	1.184	10	20	CDCD	
COc1ccc(O)c([C@H](C)NCCNC(=O)NC(C)C)c1	828155438	MTDZVVJZOALYIW-NSHDSACASA-N	295.383	1.759	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@H]2CCCC(=O)N2C)cc1	905319226	WVXOERTUJFLLJM-AWEZNQCLSA-N	289.379	1.380	10	20	CDCD	
CSc1nc(NC(=O)c2cc(O)cs2)n[nH]1	732280854	RNIBAICGTHMUMA-UHFFFAOYSA-N	256.312	1.546	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CCOC1	734407185	FUWNSEHWGMKGBR-ZDUSSCGKSA-N	262.353	1.714	10	20	CDCD	
O=[N+]([O-])c1ccc(O)c(CNC2(CO)CCSCC2)c1	839178125	YYFCWFPRCCOFCN-UHFFFAOYSA-N	298.364	1.648	10	20	CDCD	
COCCN(CC(=O)O)Cc1ccc(N(C)C)c(C)c1	846265002	WKDPYOXXQDMOFG-UHFFFAOYSA-N	280.368	1.594	10	20	CDCD	
CCc1cccc(CN(CCOC)CC(=O)OC)c1O	848887412	VWEVKIVCQZSVFR-UHFFFAOYSA-N	281.352	1.576	10	20	CDCD	
CCn1nncc1/C=C1/SC(N2CCCCC2)=NC1=O	841487664	SBWNBZLLHKUCSE-DHZHZOJOSA-N	291.380	1.754	10	20	CDCD	
COc1cccc([C@H](C)NCCOCCN(C)C)c1O	846167062	SBQWMMHUEFMHQK-LBPRGKRZSA-N	282.384	1.630	10	20	CDCD	
COC(=O)c1cnc(SCC[S@@](C)=O)s1	842579724	AFGIHVJCMXELCU-OAHLLOKOSA-N	265.381	1.400	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2CC1CCNCC1	843069813	SLWGQOGQWKWTLQ-UHFFFAOYSA-N	275.396	1.951	10	20	CDCD	
CCC[C@@H](O)[C@@H](CO)NCc1c(O)ccc(Cl)c1F	842227161	RJRDEHXYQDBODU-ZYHUDNBSSA-N	291.750	1.796	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)c2nnn(C)c2C)c1	743337620	XPDSXIAKNUHFBA-QMMMGPOBSA-N	290.323	1.329	10	20	CDCD	
Cc1ccc(C(=O)N[C@H]2COC[C@H]2C)c(O)c1O	928902979	KGTWCYXDQFMROS-SCZZXKLOSA-N	251.282	1.171	10	20	CDCD	
CCc1cccc(CN2CC[C@H](O)[C@@H](CO)C2)c1O	848918197	SAEDCIZEZWRWOP-KGLIPLIRSA-N	265.353	1.130	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC[C@H]1CN(C)CCN1C	840934884	ZHFPQVPETSZZON-KRWDZBQOSA-N	290.455	1.396	10	20	CDCD	
C[C@@H](NCCN1CC[C@H](O)C1)c1ccccc1O	858599770	PWXHGOJUQSKOBQ-NEPJUHHUSA-N	250.342	1.109	10	20	CDCD	
COCCc1noc(COC(=O)c2cccc(O)c2O)n1	758549120	YSNGRNYVCGQKAJ-UHFFFAOYSA-N	294.263	1.027	10	20	CDCD	
CC[C@@H](O)CNCc1cc(F)c(N(C)C)cc1F	858190024	YLCKXKAIALGACN-SNVBAGLBSA-N	258.312	1.891	10	20	CDCD	
Cc1cc(N(C)C)ccc1C[C@H](C)N[C@@H]1CNCCOC1	925689855	ITUVBGJBMZRQNY-GOEBONIOSA-N	291.439	1.570	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CC[C@H](CCN)C2)c1O	923493411	URDJSNTYQKNLBQ-NSHDSACASA-N	280.343	1.905	10	20	CDCD	
CS(=O)(=O)C1(C(=O)NCc2ccccc2O)CCCC1	769364575	IRKODQHDLKHXKH-UHFFFAOYSA-N	297.376	1.366	10	20	CDCD	
Cc1cnn(CCC(=O)NCc2ccc(O)c(O)c2)c1	768914626	CJMIPAAEDUIDHW-UHFFFAOYSA-N	275.308	1.309	10	20	CDCD	
CC(=O)c1ccc(C(=O)NCCc2ccc(O)c(O)c2)o1	772401030	BNYOBJHSBUCDOZ-UHFFFAOYSA-N	289.287	1.866	10	20	CDCD	
CCO[C@@H]1C[C@@H](NCc2c(O)cccc2OC)[C@@H]1OC	775978927	PIBDSDALZOELRA-DFBGVHRSSA-N	281.352	1.683	10	20	CDCD	
CCC[C@](C)(CO)NCc1ccc([N+](=O)[O-])c(OC)c1O	775016829	XLAWZRVPMRHBBV-CQSZACIVSA-N	298.339	1.950	10	20	CDCD	
O=C(NCCOCC(F)F)c1cc(O)cs1	788590599	DBOBAUWSUYTKBU-UHFFFAOYSA-N	251.254	1.465	10	20	CDCD	
CC1=NO[C@](C)(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)C1	1120628612	GZXOUQGNHDAFMH-VFZGTOFNSA-N	292.335	1.700	10	20	CDCD	
CCOc1ccc(CNc2nnc(CO)o2)c(O)c1	789880362	KZGUXUXPKLXNJA-UHFFFAOYSA-N	265.269	1.278	10	20	CDCD	
COc1ccc(CNC[C@H]2CCCN(C)C2)c(O)c1OC	892946458	BSLSUJZCNYCKGA-GFCCVEGCSA-N	294.395	1.841	10	20	CDCD	
COc1cc(C)cc(CN2CCNC(=O)[C@H]2C)c1O	893984949	VPPUTIFDGVZHDB-SNVBAGLBSA-N	264.325	1.030	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCN(c2ccncc2)CC1	790482243	JJYGCQYCBXGMDZ-UHFFFAOYSA-N	299.330	1.455	10	20	CDCD	
COC[C@H](C)NC(=S)NCc1ccc(OC)cc1O	795030963	GYCXSUFYJIQGIG-VIFPVBQESA-N	284.381	1.400	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)CC2OCCO2)cc1	793107575	JMWWHZFKPCZEBF-UHFFFAOYSA-N	292.379	1.912	10	20	CDCD	
CCOCCOCCNCc1cccc(C)c1O	897204079	JEZRIKSRUMDTQF-UHFFFAOYSA-N	253.342	1.843	10	20	CDCD	
CCC(CC)NC(=O)C(=O)N(C)Cc1ccccc1O	1321538803	VHAIEJAURRRRJO-UHFFFAOYSA-N	278.352	1.655	10	20	CDCD	
O=C(O[C@H]1CCN(C2CC2)C1=O)c1cccc(O)c1O	1326342055	BQMGBTBSKJIDRJ-NSHDSACASA-N	277.276	1.018	10	20	CDCD	
CCc1cccc(CN2C[C@@H]3CN(C)C[C@@H]3C2)c1O	706239461	XKNPOBCVQNXVJK-GASCZTMLSA-N	260.381	1.948	10	20	CDCD	
CN1CCN(Cc2c(O)cccc2Br)CC1	707133824	CLWQQMGHDIGLGI-UHFFFAOYSA-N	285.185	1.902	10	20	CDCD	
CN(C[C@H]1CCCN(S(C)(=O)=O)C1)c1ccc(N)cc1	93697684	MTPNAXFFUPRMLD-GFCCVEGCSA-N	297.424	1.377	10	20	CDCD	
CC(C)CC(=O)NCCC(=O)NCc1ccc(N)cc1	1343473179	LNEGDIUWFKHNAG-UHFFFAOYSA-N	277.368	1.437	10	20	CDCD	
CC(C)C[C@H](CN)CC(=O)NCc1ccc(N)cc1	1343566241	GSEMCVIFYRZXLO-ZDUSSCGKSA-N	263.385	1.896	10	20	CDCD	
C[C@@H](O)Cc1nnc(N(C)Cc2ccccc2O)n1C	1341654938	DRMNISMJRPGFMW-SNVBAGLBSA-N	276.340	1.080	10	20	CDCD	
CC(C)Cn1c(CO)nnc1N(C)Cc1ccccc1O	1342987956	OYJOFYYMHJKOJC-UHFFFAOYSA-N	290.367	1.768	10	20	CDCD	
COc1cccc(CNc2ccc(C(=O)O)nn2)c1O	1607322703	DCBOOAQNZQQIPJ-UHFFFAOYSA-N	275.264	1.501	10	20	CDCD	
CC[C@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)O	1605028183	OIUYQNKZRGGBPQ-DFVUYQKZSA-N	279.292	1.338	10	20	CDCD	
CC1(C)CNCC[C@@H](NC(=O)c2cc(O)cs2)C1	1576478862	RGJYYQCZTFCHDN-SECBINFHSA-N	268.382	1.962	10	20	CDCD	
C[C@H](N[C@H]1CCCNC1=O)c1cc(C(=O)O)ccc1O	1593356611	HKLUDZNFDJOHCX-KWQFWETISA-N	278.308	1.020	10	20	CDCD	
CN(C)c1cc(F)c(CNCC[C@@H](F)C(=O)O)cc1F	1777038154	IPSVWKJMYMECTH-SECBINFHSA-N	290.285	1.933	10	20	CDCD	
CCNS(=O)(=O)CCN[C@H](C)c1ccc(N(C)C)cc1	222006907	HNDSTMRLLVMUKV-GFCCVEGCSA-N	299.440	1.343	10	20	CDCD	
CN(Cc1cccnc1)C(=O)c1cccc(O)c1O	126260839	QJMBPWGRHKRAQX-UHFFFAOYSA-N	258.277	1.765	10	20	CDCD	
C[C@@H](CS(C)(=O)=O)N(C)Cc1cccc(Cl)c1O	180236722	VVBCTIXJMJTEQJ-VIFPVBQESA-N	291.800	1.911	10	20	CDCD	
CC[C@@H](NCc1ccc(N2CCOCC2)cc1)[C@H](C)O	386694457	LDUDWAKFFOJHOK-XJKSGUPXSA-N	278.396	1.772	10	20	CDCD	
COC[C@H](O)CCN[C@H](C)c1ccc(C)cc1O	186203170	NHWORQDBNWOKHD-VXGBXAGGSA-N	253.342	1.749	10	20	CDCD	
CCS(=O)(=O)CCN[C@@H](C)c1ccc(C)cc1O	185331168	PDGBWQWVNVBIEX-NSHDSACASA-N	271.382	1.786	10	20	CDCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C(C)(C)O	188091929	WCQBZJGJVWAHCR-UHFFFAOYSA-N	292.379	1.253	10	20	CDCD	
C[C@@H](NC[C@@]1(O)CCOC1)c1cc(Cl)ccc1O	186177536	QZFPMJNHPZFZAQ-RNCFNFMXSA-N	271.744	1.848	10	20	CDCD	
CSCCNCc1ccc(N2CCOCC2)cc1	70185405	AQGKPNSDBFKDRR-UHFFFAOYSA-N	266.410	1.976	10	20	CDCD	
Cc1ncc(C(=O)NCc2ccc(O)c(O)c2)s1	182512036	DBUGLFMWSQRXIG-UHFFFAOYSA-N	264.306	1.793	10	20	CDCD	
Nc1ccc(CC(=O)N2CCO[C@H]([C@H]3CCCO3)C2)cc1	237894623	VINIHMHXAYLYRW-CABCVRRESA-N	290.363	1.218	10	20	CDCD	
CCNC(=O)CN(Cc1ccccc1O)C[C@@H]1CCCO1	96970995	XICIFNJPGZAENO-AWEZNQCLSA-N	292.379	1.509	10	20	CDCD	
COCCN(CCOC)C(=O)/C=C/c1ccc(O)c(O)c1	272513249	UVMZAUWJUCOJMJ-GQCTYLIASA-N	295.335	1.232	10	20	CDCD	
CCOC(=O)[C@@H](C)[C@H](C)NC(=O)c1ccc(C)c(O)c1O	273585713	ZSIXPPZJODRUQV-UWVGGRQHSA-N	295.335	1.724	10	20	CDCD	
O=C(NCCCO)C1CCN(Cc2ccccc2O)CC1	271235692	CDVPBCWQNJHHFB-UHFFFAOYSA-N	292.379	1.103	10	20	CDCD	
CN(C)c1ccc(CN2CC[C@@H]3COC(=O)N[C@H]3C2)cc1	281406864	XZJOOMDZSOQOGQ-HIFRSBDPSA-N	289.379	1.683	10	20	CDCD	
COC(=O)c1cnc(SC[C@H]2CCOCO2)s1	295283241	KTYQRXPMOMSVNK-SSDOTTSWSA-N	275.351	1.785	10	20	CDCD	
CNC(=O)C1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2O)C1	297432448	OOYWVYHJDLLKIS-UHFFFAOYSA-N	299.714	1.132	10	20	CDCD	
CCc1cc(O)ccc1NS(=O)(=O)c1cnn(C)c1C	291945639	QAQAXRIPLIQZNA-UHFFFAOYSA-N	295.364	1.797	10	20	CDCD	
CCOc1ccc(CN(CC)[C@H](C)CO)c(O)c1	814169921	OLJHUFRFLYSNSR-LLVKDONJSA-N	253.342	1.994	10	20	CDCD	
CN(C)c1cccnc1CNC(=O)c1cc(O)cs1	811621148	SVSHULAPBADRCN-UHFFFAOYSA-N	277.349	1.845	10	20	CDCD	
COc1ccc(CNCC2(CC(N)=O)CC2)cc1C	817410946	KNHMAQVKVBKRDB-UHFFFAOYSA-N	262.353	1.749	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@H]2C[C@@H](C)CCN2)c1	817996825	LZYGKGCFBLPGAH-COPLHBTASA-N	292.379	1.966	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@@H]2CCCCN(C)C2=O)c1	824903664	BWWBRMGACWABMY-ZDUSSCGKSA-N	290.363	1.575	10	20	CDCD	
C[C@@](O)(CNCc1cc([N+](=O)[O-])ccc1O)C1CC1	732670258	XEERQEIIIFGYJD-CYBMUJFWSA-N	266.297	1.551	10	20	CDCD	
COc1ccc(CN[C@H](C(=O)O)[C@H]2CCCOC2)cc1C	901834795	YLHJIYMLETYCPF-ZFWWWQNUSA-N	293.363	1.973	10	20	CDCD	
O=C(O)CN(Cc1cc(Cl)ccc1O)C[C@@H]1CCOC1	739793730	OLKWXJRJOGRLBX-JTQLQIEISA-N	299.754	1.969	10	20	CDCD	
COCCN(Cc1cccnc1)C(=O)Cc1ccc(N)cc1	831347230	RRQRBRJEBQCKCA-UHFFFAOYSA-N	299.374	1.882	10	20	CDCD	
CN(C)c1ccc([C@H](N)CNC(=O)[C@@H]2CCCO2)cc1	832266237	DLARDBHNPXOOLD-KGLIPLIRSA-N	277.368	1.048	10	20	CDCD	
CCOCc1cc(CNC[C@H]2COCCO2)ccc1OC	747855050	YCWARGCLFGJZQQ-HNNXBMFYSA-N	295.379	1.737	10	20	CDCD	
CCC(N)(CC)CNCc1ccc([N+](=O)[O-])c(OC)c1O	841028915	IFAXETIPUNGVBA-UHFFFAOYSA-N	297.355	1.916	10	20	CDCD	
CCO[C@H](CCN(C)C)CNC(=O)Nc1ccc(N)cc1	841301087	ZPNJCTKROIAVNM-CQSZACIVSA-N	294.399	1.747	10	20	CDCD	
Oc1cc2c(cc1CN1CC[C@@H]3OCC[C@@H]3C1)[C@H](O)CO2	842624673	GLKGBWJNEHJZPV-KMUNFCNLSA-N	291.347	1.429	10	20	CDCD	
CCONC(=O)CNCc1cc(Cl)cc(F)c1O	846094301	SACMHAGOBYCAND-UHFFFAOYSA-N	276.695	1.342	10	20	CDCD	
Cc1cc(Br)c(O)c(CN(C)C2CNC2)c1	843124949	QZPWIHLZOXDVJG-UHFFFAOYSA-N	285.185	1.867	10	20	CDCD	
COc1ccc(N(C)Cc2nnc3n2CCOC3)cc1	844355832	UYFGKSUAYRPTNP-UHFFFAOYSA-N	274.324	1.453	10	20	CDCD	
CN(C)c1ccc([C@H](N)CNC2CCC(N)CC2)cc1	841044376	WEWFSJPAKYWRNG-ZBCRRDGASA-N	276.428	1.612	10	20	CDCD	
CCOc1ccc(CN(C)CC(C)(C)N)c(O)c1	849350786	WIEMZHOFWUZWKF-UHFFFAOYSA-N	252.358	1.960	10	20	CDCD	
CCc1cccc(CNC2CC(NS(C)(=O)=O)C2)c1O	848909711	ZZBKOYWKUACWQX-UHFFFAOYSA-N	298.408	1.124	10	20	CDCD	
CCC(CC)(CN)C(=O)NCc1ccc(OC)cc1O	843498971	BEUHMPYMXLBVFV-UHFFFAOYSA-N	280.368	1.782	10	20	CDCD	
CC(C)(C)n1nnc(CC(=O)Nc2ccc(N)cc2)n1	851633884	XFTSWAAJABPHCY-UHFFFAOYSA-N	274.328	1.192	10	20	CDCD	
C[C@]1(CCC(=O)NCc2ccccc2O)CCC(=O)N1	753417014	YGNYKJZSOAFONJ-HNNXBMFYSA-N	276.336	1.457	10	20	CDCD	
C[C@H]1CCN(C(=O)NCCc2ccc(N)cc2)C[C@H]1CO	857103191	DMIFYKDEWASYGU-JSGCOSHPSA-N	291.395	1.471	10	20	CDCD	
CCCNC(=O)[C@@H](C)OC(=O)c1ccc(C)c(O)c1O	750618236	ASUUDUOGOYEXPT-SECBINFHSA-N	281.308	1.478	10	20	CDCD	
CC[C@H](O)CNCc1cc(F)c(N(C)C)cc1F	858169192	YLCKXKAIALGACN-JTQLQIEISA-N	258.312	1.891	10	20	CDCD	
Cc1cc(CN2CCc3cnc(N)nc3C2)ccc1N(C)C	857923634	IXCCVKZOEGUYPC-UHFFFAOYSA-N	297.406	1.992	10	20	CDCD	
CC[C@H](NCCN1CC[C@H](O)C1)c1ccc(C)cc1O	858601632	HOZNUQBHTBQOQK-ZFWWWQNUSA-N	278.396	1.808	10	20	CDCD	
C[C@H]1CCN(C(=O)c2c(F)ccc(O)c2O)C[C@@H]1CO	857361178	MTOGFOKHQVHNQW-DTWKUNHWSA-N	283.299	1.327	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCO[C@H]([C@@H]2CCCO2)C1	757422794	ACQJIFUWDXYAPW-QWRGUYRKSA-N	283.349	1.474	10	20	CDCD	
CN(Cc1c(O)ccc2ccncc12)C[C@@H]1COCCO1	853556978	GLWNRJKVEYGXNP-CYBMUJFWSA-N	288.347	1.788	10	20	CDCD	
Cc1ccc(C(=O)OCC[C@@H]2CCOC2=O)c(O)c1O	754096238	NLAKCJIRJONCJK-VIFPVBQESA-N	280.276	1.516	10	20	CDCD	
CC[C@@H](C(=O)NCc1cc(C)ccc1O)[C@@H](C)O	863937144	LTZAIGIYSZBQOY-ZYHUDNBSSA-N	251.326	1.724	10	20	CDCD	
CC(C)[C@H](NC=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	860950640	QOXVJSGBPPXDAJ-WFASDCNBSA-N	291.395	1.700	10	20	CDCD	
COc1ccc(O)c([C@H](C)N[C@@H]2CCCNC(=O)C2)c1	877533351	NABVLIPZESCOIR-WDEREUQCSA-N	278.352	1.720	10	20	CDCD	
Cc1ccc(CN(C)[C@@H](C)CN2CCOCC2)c(O)c1	877484444	AXLQFPZQINNLAG-AWEZNQCLSA-N	278.396	1.853	10	20	CDCD	
Cc1cc(NS(=O)(=O)N2CC[C@@H](C)C2)ccc1O	777939980	JQFQTPVWAQCYTN-SECBINFHSA-N	270.354	1.699	10	20	CDCD	
Cc1ncc(NC(=O)/C=C/c2ccc(O)c(O)c2)cn1	779512099	LYCFWEMVSIYUHY-HWKANZROSA-N	271.276	1.848	10	20	CDCD	
COCCn1cc(CN(C)c2ccc3c(c2)OCO3)cn1	780778556	MEGKOACSIKXSSI-UHFFFAOYSA-N	289.335	1.895	10	20	CDCD	
CC[C@H]1CN(C)CCN1Cc1ccc(OC)c(OC)c1O	894640632	GPCJHRJNAXTMTR-ZDUSSCGKSA-N	294.395	1.935	10	20	CDCD	
COc1ccc(CN2CC[C@@H](OC)C2)c(O)c1OC	892071094	VXQBLFGUMTYZPE-LLVKDONJSA-N	267.325	1.630	10	20	CDCD	
COC(=O)N1CC(C)(NCc2cccc(Cl)c2O)C1	798183831	UQDYRRCPVFCSED-UHFFFAOYSA-N	284.743	1.976	10	20	CDCD	
Oc1cc2c(cc1CNCCO[C@@H]1CCCCO1)OCO2	894798780	IDTQDNNINKLSCJ-OAHLLOKOSA-N	295.335	1.754	10	20	CDCD	
CC(C)OCCONC(=O)/C=C/c1ccc(O)c(O)c1	795072489	DVUFMLDBIYBIRB-GQCTYLIASA-N	281.308	1.584	10	20	CDCD	
COc1cccc(CN(C)C[C@H](C)C(=O)O)c1O	86807363	CAJJJKXVSIJOBJ-VIFPVBQESA-N	253.298	1.553	10	20	CDCD	
C=C/C=C\CCNC(=O)C(=O)N(C)Cc1ccccc1O	1334654897	WYAAUPJRBRJJLT-PLNGDYQASA-N	288.347	1.599	10	20	CDCD	
CCOC(=O)[C@H](C[C@@H]1CCCO1)NCc1ccc(N)cc1	1336286218	PFSBDENOTKPYHL-GJZGRUSLSA-N	292.379	1.859	10	20	CDCD	
COc1ccc(O)c(CN[C@@H](C)c2ncnn2C)c1	789595593	WGXZLWNZYVAHBV-VIFPVBQESA-N	262.313	1.380	10	20	CDCD	
Cc1ccc(C(=O)NCc2c(C)n[nH]c2C)c(O)c1O	1349990124	RSNUHBRGWMCYSA-UHFFFAOYSA-N	275.308	1.676	10	20	CDCD	
C[C@@](O)(CC(=O)NCc1cccc(O)c1O)C1CC1	1352658803	YUWIZCRKZSHKCT-CQSZACIVSA-N	265.309	1.265	10	20	CDCD	
CNCCCn1c(C)nnc1N(C)Cc1ccccc1O	1578691365	LTMAHUYQGJSFOU-UHFFFAOYSA-N	289.383	1.538	10	20	CDCD	
C[C@H](NC(=O)[C@H]1C[C@H]2CC[C@@H]1N2)c1ccccc1O	1579482809	XNYHQLKLYMXODI-LFSVMHDDSA-N	260.337	1.710	10	20	CDCD	
C[C@@H]1OC(C)(C)N[C@@H]1C(=O)N[C@H](C)c1ccccc1O	1576900835	XDKPOMFSHCQPMQ-NRUUGDAUSA-N	278.352	1.682	10	20	CDCD	
COc1ccc2c(c1)CCCN2Cn1cc(C(=O)O)nn1	1599628257	KOGOUAXPVSUHAZ-UHFFFAOYSA-N	288.307	1.395	10	20	CDCD	
CCN1CCCc2cc(CN[C@H](CCO)C(=O)O)ccc21	1776875733	FVENNAZOVPPMPY-CQSZACIVSA-N	292.379	1.384	10	20	CDCD	
Oc1c(Cl)cccc1CNCCCN1CCOCC1	124647077	SHIKTYAVYWGSML-UHFFFAOYSA-N	284.787	1.858	10	20	CDCD	
O=C(NCCc1cccnc1)c1cccc(O)c1O	126273249	QSDULGXBFVUCSD-UHFFFAOYSA-N	258.277	1.465	10	20	CDCD	
COc1ccc(O)c(CN2CCC[C@@H](S(C)(=O)=O)C2)c1	274192462	ZPQPJRKGKANRRZ-CYBMUJFWSA-N	299.392	1.410	10	20	CDCD	
C[C@H](NCC1(S(C)(=O)=O)CC1)c1ccc(N(C)C)cc1	280904234	GATPOUTUPDJBBM-LBPRGKRZSA-N	296.436	1.980	10	20	CDCD	
C[C@H](NCC1(CO)CCOCC1)c1cc(F)ccc1O	186150035	UUPXBBLPOMMHQH-NSHDSACASA-N	283.343	1.971	10	20	CDCD	
CC(C)[C@H](CO)CNC(=O)Nc1ccc(N)cc1	841300371	WDECUVWJTBGUPH-JTQLQIEISA-N	251.330	1.655	10	20	CDCD	
CCC[C@H](NC(=O)c1cccc(O)c1O)C(=O)O	125999116	QCKFMSIVMKQOAP-QMMMGPOBSA-N	253.254	1.081	10	20	CDCD	
CN(CC(N)=O)Cc1cc(Br)ccc1O	132600103	QXHVCWRALKTZGG-UHFFFAOYSA-N	273.130	1.072	10	20	CDCD	
C[C@H](O)C[C@H](C)NCc1cc2c(cc1O)OCO2	228074694	SZSVZMRHIWMYET-IUCAKERBSA-N	253.298	1.370	10	20	CDCD	
CCC[C@@H]1C(=O)NCCN1Cc1cc(C)ccc1O	93771763	WYGCTPBDNXZFKT-CYBMUJFWSA-N	262.353	1.801	10	20	CDCD	
Cc1c(CNC(=O)NCCN(C)C)n(C)c2ccccc12	350069718	GHTAKYDVTYGXSP-UHFFFAOYSA-N	288.395	1.848	10	20	CDCD	
Cc1cc(C(=O)NC(C)(C)CN)c(C)n1-c1ccccn1	262546596	MNTCUQGVLGMMKI-UHFFFAOYSA-N	286.379	1.956	10	20	CDCD	
Cc1nn(C)c(C)c1CC(=O)NCc1ccc(O)c(O)c1	269090631	LBNUGRWJYBQIBU-UHFFFAOYSA-N	289.335	1.307	10	20	CDCD	
COC(=O)COc1ccc(N(C)C[C@H](O)CSC)cc1	275187520	OFPHVXZQPBIRCO-LBPRGKRZSA-N	299.392	1.399	10	20	CDCD	
CN1CCC(N(CCO)Cc2cccc(Cl)c2O)CC1	271851953	WJBHMHULUUXRNQ-UHFFFAOYSA-N	298.814	1.934	10	20	CDCD	
CC(=O)C(=O)CN1C(=O)N[C@@](C)(CCC=C(C)C)C1=O	289797885	YDRGGHNGONVXSS-AWEZNQCLSA-N	280.324	1.201	10	20	CDCD	
Cc1ccc(C(=O)N2CCOC[C@H](C)C2)c(O)c1O	378560091	DMYKTZPTCMQVOW-SECBINFHSA-N	265.309	1.515	10	20	CDCD	
CN(C)c1ccc(OC[C@H]2CCS(=O)(=O)C2)cc1	289307726	AUXBEMUJZLSCKR-LLVKDONJSA-N	269.366	1.566	10	20	CDCD	
CCN(Cc1cc(OC)c(OC)cc1O)[C@H](C)CO	292808555	OKTIJVKYCOLWOJ-SNVBAGLBSA-N	269.341	1.612	10	20	CDCD	
Cc1c([C@H](C)NC(=O)c2c(F)ccc(O)c2O)cnn1C	294871961	PFPVBWLDVLQAGK-ZETCQYMHSA-N	293.298	1.770	10	20	CDCD	
C[C@@H](CN[C@@H]1CCc2cccc(O)c21)N1CCN(C)CC1	297933946	XVAWBPZJBLATDO-DZGCQCFKSA-N	289.423	1.605	10	20	CDCD	
CC(C)C[C@@H](NCc1cc([N+](=O)[O-])ccc1O)C(=O)O	817891931	AEJDRRVWFGYNAV-LLVKDONJSA-N	282.296	1.889	10	20	CDCD	
Cc1ncccc1/C=C1\SC(=S)N(CC(N)=O)C1=O	728982616	JSMLNNPYSZKNLR-UITAMQMPSA-N	293.373	1.077	10	20	CDCD	
CCn1ccc(NC(=O)NCCc2ccc(O)c(O)c2)n1	824934087	PIVIXPJVXKSBBU-UHFFFAOYSA-N	290.323	1.678	10	20	CDCD	
CN(C)CCCn1cc(COc2ccc(N)cc2)nn1	864624023	SLNOLXZAHGHYMG-UHFFFAOYSA-N	275.356	1.391	10	20	CDCD	
COc1ccc(N2CCN(CN3CCOC3=O)CC2)cc1	902027229	UIGNOZDAOVNTTF-UHFFFAOYSA-N	291.351	1.227	10	20	CDCD	
COc1ccc(CNC(=O)[C@@H]2[C@H]3CCC(=O)[C@H]32)c(O)c1	907924964	BCZGCCPVWFCMFK-LEWSCRJBSA-N	275.304	1.242	10	20	CDCD	
O=C(O)NCCCC(=O)NCc1ccccc1O	739956571	FTYKKDMOLLTFLA-UHFFFAOYSA-N	252.270	1.056	10	20	CDCD	
COCCN1CCC(NC(=O)c2cc(O)cs2)CC1	732277712	SCIUGVCARLPYBJ-UHFFFAOYSA-N	284.381	1.294	10	20	CDCD	
CN(C)c1ccc([C@H](N)CNC(=O)[C@@H]2[C@H]3CCC[C@H]32)cc1	832267349	QTOJSZJXISYNCB-QXSJWSMHSA-N	287.407	1.915	10	20	CDCD	
CCC1(CNC(=O)c2c(F)ccc(O)c2O)COC1	839787888	UPKRNAOIRWVTLG-UHFFFAOYSA-N	269.272	1.393	10	20	CDCD	
CCOC(=O)N1CCCN(C(=O)c2cc(O)cs2)CC1	732279236	HEKSGUXWGLGVCU-UHFFFAOYSA-N	298.364	1.758	10	20	CDCD	
COC(=O)NCc1ccc(N2CCOCC2)c(F)c1	918632712	CZKIIDASACXPJI-UHFFFAOYSA-N	268.288	1.518	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@@H](C)c2cnccn2)c1	913000681	RFPQDGNJXUIIDN-NSHDSACASA-N	271.320	1.911	10	20	CDCD	
O=C(NCc1cccnc1)NCc1ccccc1O	748451000	MIODDOFFXMOSEB-UHFFFAOYSA-N	257.293	1.787	10	20	CDCD	
CCCN(Cc1cc(OC)c(OC)cc1O)[C@H]1CCNC1	843052475	LYTSICHITSCJQE-ZDUSSCGKSA-N	294.395	1.983	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@@H](N)C1	841823699	GVLNSEOLXBTXHV-CQSZACIVSA-N	290.411	1.694	10	20	CDCD	
CN[C@@H](C)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	848426752	FXANICSNTCQUDK-JSGCOSHPSA-N	292.379	1.508	10	20	CDCD	
C[C@@H](N)CNC(=O)NCc1c(O)ccc2c1CCCC2	841987768	NSTYFKIPJBNUKQ-SNVBAGLBSA-N	277.368	1.417	10	20	CDCD	
Oc1c(Br)cccc1CN[C@H]1[C@@H]2CNC[C@@H]21	841079129	ZEPUAGPNAOEDDM-JZYVYDRUSA-N	283.169	1.462	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NCC2=CCNCC2)cc1	841654029	LVXVRKBVNYQVAL-UHFFFAOYSA-N	288.395	1.472	10	20	CDCD	
C[C@H]1CCCN(Cc2cc(O)n3ncc(C(=O)O)c3n2)C1	846231757	OQRVYRZUUIHVAO-VIFPVBQESA-N	290.323	1.365	10	20	CDCD	
CCOc1ccc(O)c(CN2CCO[C@H]([C@@H](C)N)C2)c1	843057901	NVMDRHHQUABDDK-ABAIWWIYSA-N	280.368	1.339	10	20	CDCD	
C[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccc(N)cc1	840999133	CJVHEUAKYIXIOF-GWCFXTLKSA-N	275.352	1.902	10	20	CDCD	
Cc1cc(O)c(CNCCC[S@@](C)=O)cc1C	742372128	RJYCPTIAWZKQSI-QGZVFWFLSA-N	255.383	1.867	10	20	CDCD	
O=C(N[C@H]1c2ccccc2C[C@H]1O)c1cc(O)cs1	748299267	QEQKPJSKMFOBNJ-YPMHNXCESA-N	275.329	1.842	10	20	CDCD	
Cc1cc(CN2CCC(NCCO)CC2)ccc1N(C)C	923411253	BDVMFMYLNIPJBF-UHFFFAOYSA-N	291.439	1.607	10	20	CDCD	
CCOc1ccc(O)c(CN2C[C@@H](C)N[C@H](C)C2)c1	843049544	PITRSTUAFJCBKV-VXGBXAGGSA-N	264.369	1.973	10	20	CDCD	
CCNC(=S)NCc1ccc(N2CCC(O)CC2)cc1	853041289	VQNKCAOIADFFJR-UHFFFAOYSA-N	293.436	1.632	10	20	CDCD	
C[C@H]1C[C@@H](C(=O)NCCc2ccc(O)c(O)c2)CCC1=O	764849357	QHCLXVPYDXXWFM-JQWIXIFHSA-N	291.347	1.762	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)CCc2ccon2)c1	862755772	YDRZQRHVSQVGSY-UHFFFAOYSA-N	260.293	1.938	10	20	CDCD	
Cc1ccc(CNC[C@@H](C)CN2CCOCC2)c(O)c1	877057127	VAGUXDOQHXSRND-CQSZACIVSA-N	278.396	1.759	10	20	CDCD	
OC[C@H]1CCCN1Cc1ccc(N2CCC(O)CC2)cc1	876561416	JWQCMIYUKFHLIJ-MRXNPFEDSA-N	290.407	1.604	10	20	CDCD	
Cc1ccc(CN[C@H](CCO)C2CCOCC2)c(O)c1	877367103	BOSDVCWPLNMXSS-OAHLLOKOSA-N	279.380	1.968	10	20	CDCD	
COc1cc(O)c(CNC[C@]2(C)CCOC2)cc1OC	776174535	DXTXTPCXCBGAHF-HNNXBMFYSA-N	281.352	1.926	10	20	CDCD	
CN(C(=O)C[C@H]1CSCCN1)c1ccc(N)cc1	877077775	UHQBQZPIPYKXTG-NSHDSACASA-N	265.382	1.327	10	20	CDCD	
CCOCCOC1CN(C(=O)c2cc(O)cs2)C1	777531952	RUEMSODAOQPUGV-UHFFFAOYSA-N	271.338	1.331	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@H]2CCCN2C2CC2)c1	787450432	RRDOCHOQBFECIC-CQSZACIVSA-N	290.363	1.644	10	20	CDCD	
CO[C@@H](C)CNC(=O)NCc1ccc(N(C)C)cc1C	785874098	ZGBVYWAAKNHNII-LBPRGKRZSA-N	279.384	1.895	10	20	CDCD	
COc1ccc(CNCCNC(=O)[C@H]2CC2(F)F)cc1C	1126782126	NVAJKQZIWPKTKE-GFCCVEGCSA-N	298.333	1.865	10	20	CDCD	
COc1cc(C)cc(CN(CCO)C(C)C)c1O	893893707	GKGOQKDITDWBKI-UHFFFAOYSA-N	253.342	1.912	10	20	CDCD	
CCn1nccc1CNCc1ccc(OC)c(OC)c1O	895480839	NEGNELXDMJHIKY-UHFFFAOYSA-N	291.351	1.916	10	20	CDCD	
COCC[C@](C)(O)CNCc1cc(C)cc(OC)c1O	894259051	PYUBWQZFXQYAAY-HNNXBMFYSA-N	283.368	1.586	10	20	CDCD	
CCOc1ccc(N2CCN(C(=O)CCOC)CC2)cc1	1319397339	NJFDTOCNNSUOHE-UHFFFAOYSA-N	292.379	1.770	10	20	CDCD	
CN1CCC[C@H](NCc2cc(F)ccc2O)C1=O	704318737	ZEHBYUUCTLSITL-NSHDSACASA-N	252.289	1.242	10	20	CDCD	
CC[C@H]1CO[C@H](C)CN1C(=O)NCc1ccc(N)cc1	1262604600	XPYNMZDFRLAOAA-RISCZKNCSA-N	277.368	1.978	10	20	CDCD	
O=C(O)[C@@]1(F)CCN(Cc2cc(F)ccc2O)C1	1601716785	HBROMEYGVPGNAB-GFCCVEGCSA-N	257.236	1.530	10	20	CDCD	
CC(=O)C(=O)CS[C@H](Cc1ccc(C)cc1)C(=O)O	1609567826	JIBZDRSGCPBDJL-CYBMUJFWSA-N	280.345	1.882	10	20	CDCD	
O=C1NC[C@H](CSc2ncc(C(=O)O)s2)O1	1602658911	OJQYTDDROUMDBB-SCSAIBSYSA-N	260.296	1.042	10	20	CDCD	
CCOCC[C@@H](O)CSc1ncc(C(=O)O)s1	1610030989	KSQVTNMRRZHHSD-SSDOTTSWSA-N	277.367	1.721	10	20	CDCD	
O=C(O)[C@H]1CSCCN(Cc2cc(F)ccc2O)C1	1601856180	IFHOTLSUOAMYCE-SNVBAGLBSA-N	285.340	1.781	10	20	CDCD	
Cc1cc(Br)cc(CNC[C@H]2CCN2)c1O	1579551574	NEHKIFCAERGUPZ-LLVKDONJSA-N	285.185	1.915	10	20	CDCD	
C[C@H](NCCOCC(=O)O)c1cc(Cl)ccc1O	1589128923	WHNCIYDFXFXDTI-QMMMGPOBSA-N	273.716	1.797	10	20	CDCD	
N[C@@H]1CCC[C@H]2CN(C(=O)Cc3ccc(O)c(O)c3)C[C@@H]12	1580175916	JTTNVVUOIDWYMA-YNEHKIRRSA-N	290.363	1.226	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H](C)CC(=O)O)c1	1594105859	OUZWFNDBYHCFMZ-DTWKUNHWSA-N	296.323	1.624	10	20	CDCD	
COc1cc(O)c(CN2[C@H](C)CC[C@@H]2C(=O)O)cc1OC	1594066271	ACVIFTLLSHXDOZ-MWLCHTKSSA-N	295.335	1.847	10	20	CDCD	
CN(C)c1ccc(CN[C@@H](Cc2cocn2)C(=O)O)cc1	1777039752	JCRUVLPAIBSGDS-AWEZNQCLSA-N	289.335	1.526	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)c1cccc([N+](=O)[O-])c1	158909483	ROCQUMXROAXGRM-UHFFFAOYSA-N	288.259	1.936	10	20	CDCD	
C[S@@](=O)CCCNCc1ccc(N2CCOCC2)cc1	116918510	XUKIMPFDZKYKNS-FQEVSTJZSA-N	296.436	1.381	10	20	CDCD	
C[C@H](CNC(=O)Cc1ccc(N)cc1)N1CCCCC1	38029449	KAWPQUDYKCAXGW-CYBMUJFWSA-N	275.396	1.802	10	20	CDCD	
C[C@@H](NCC1(O)CCN(C)CC1)c1ccc(F)cc1O	273575688	LTBFPRWHQJXCGX-LLVKDONJSA-N	282.359	1.639	10	20	CDCD	
CNCC1CCN(Cc2cccc(OC)c2O)CC1	63158805	KSEUXLRGBNYPAH-UHFFFAOYSA-N	264.369	1.832	10	20	CDCD	
COc1ccc(O)c(CNC[C@H](CO)C(C)C)c1	394068984	IRKNBMDOKOJYLA-GFCCVEGCSA-N	253.342	1.755	10	20	CDCD	
CCOc1ccc(O)c(CN2CCC[C@@H](OCCO)C2)c1	179579459	YLJGYEKYZFIUNF-OAHLLOKOSA-N	295.379	1.764	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CC(=O)N(C)C1	115281829	QSNZSKFQQOUGHJ-ZDUSSCGKSA-N	289.379	1.156	10	20	CDCD	
Cc1ccc(NC=C2C(=O)N(C)C(=O)N(C)C2=O)cc1C	60860857	VQENGAJQYCRPIW-UHFFFAOYSA-N	287.319	1.650	10	20	CDCD	
COc1ccc(O)c(CNc2ncnc3[nH]ncc23)c1	301255198	FITUUCTYNBTGNJ-UHFFFAOYSA-N	271.280	1.679	10	20	CDCD	
COc1cccc(CN2CCC(C)(O)CC2)c1O	179725754	PGRLYSCJLGEEFY-UHFFFAOYSA-N	251.326	1.748	10	20	CDCD	
COc1ccc(O)c(CN2CCC[C@@H](CNC(C)=O)C2)c1	183378996	FCEKHJUVPOAVCC-ZDUSSCGKSA-N	292.379	1.749	10	20	CDCD	
OCCCSCCNCc1ccc2c(c1)CCO2	222940720	UMNIHSOEHVNYOL-UHFFFAOYSA-N	267.394	1.827	10	20	CDCD	
CCCNC(=O)CN[C@@H](C)c1ccc(F)c(F)c1O	191186165	DOWKDIXBSBBSAN-QMMMGPOBSA-N	272.295	1.847	10	20	CDCD	
CCN(C)c1ccc([C@@H](C)NC[C@]2(O)CCOC2)cc1	90850004	LAJHQRNASUSJGC-CZUORRHYSA-N	278.396	1.945	10	20	CDCD	
Nc1ccc(CCNC(=O)CCn2cc(Cl)cn2)cc1	269145226	CGSABWTVEDMPDR-UHFFFAOYSA-N	292.770	1.868	10	20	CDCD	
C[C@H](NCc1cc([N+](=O)[O-])ccc1O)[C@@H]1CCOC1	266154204	LJVQYVXIOYTOAS-VHSXEESVSA-N	266.297	1.815	10	20	CDCD	
C[C@@H]1C[C@H](NC[C@@H]2COCCN2)c2c(O)ccc(F)c21	530222003	FLKUPMQSUGYZLY-FOGDFJRCSA-N	280.343	1.658	10	20	CDCD	
C[C@@H]1CN(Cc2cc(F)ccc2O)CC[S@](=O)C1	277636347	YDUQVNRROUAJDB-MGNBDDOMSA-N	271.357	1.732	10	20	CDCD	
Cc1ccc(C(=O)N(C)[C@@H]2CCCCNC2=O)c(O)c1O	378566580	ATHCTIUETGTLFO-LLVKDONJSA-N	292.335	1.147	10	20	CDCD	
C[C@@H]1C[C@H](N2CCOCC2)CN1Cc1cc(F)ccc1O	289550425	IMSLIXNICDAQQZ-DOMZBBRYSA-N	294.370	1.826	10	20	CDCD	
Cc1cc(O)c(CN2CCN(C[C@H](C)O)C[C@@H]2C)cc1C	284250551	FPLDKKFJOUEBHX-GJZGRUSLSA-N	292.423	1.896	10	20	CDCD	
CNC(=O)[C@H](C)N[C@H](C)c1cc(Cl)ccc1O	291959452	RRJAHYDJCUDXTN-SFYZADRCSA-N	256.733	1.831	10	20	CDCD	
Cc1cc(O)c(CNC[C@H]2CC[C@@H](CO)O2)cc1C	292734252	QFOGUQWMACOVAB-KGLIPLIRSA-N	265.353	1.639	10	20	CDCD	
Nc1cc(C(=O)NCc2ccccc2O)cc(Cl)n1	728967137	JOROHDJUDQYHLB-UHFFFAOYSA-N	277.711	1.953	10	20	CDCD	
Cc1cc(O)c(CN[C@@H](C)C(=O)N(C)C)cc1Cl	825685940	QUXHIGOHKKJLEI-VIFPVBQESA-N	270.760	1.920	10	20	CDCD	
CN(CCC(=O)O)Cc1ccc(N(C)C)c(F)c1	820586275	SKPCGPTURKYHTL-UHFFFAOYSA-N	254.305	1.798	10	20	CDCD	
Nc1ccc(CC(=O)NCCCN2CCCCC2=O)cc1	828860183	ORQUPORVXMTVQN-UHFFFAOYSA-N	289.379	1.330	10	20	CDCD	
Cc1c(CNC(=O)/C=C\c2ccc(O)c(O)c2)cnn1C	588407625	PCZIDEFPEOZOPN-XQRVVYSFSA-N	287.319	1.469	10	20	CDCD	
O=C1CC[C@H](COC(=O)c2cc(O)cs2)CCN1	837515536	VJRCFJPPGCVADE-QMMMGPOBSA-N	269.322	1.527	10	20	CDCD	
CCC[C@@]1(C)C(=O)NCCN1C(=O)c1cc(O)cs1	832720884	IVNSTNDVFZVVMK-ZDUSSCGKSA-N	282.365	1.585	10	20	CDCD	
CCOCCC(=O)N(CC(=O)O)Cc1ccccc1O	911487462	VCZLWIYIHYWIHW-UHFFFAOYSA-N	281.308	1.232	10	20	CDCD	
NC[C@@H]1CC[C@@H](NCc2cc3c(cc2O)OCO3)C1	841084638	MHGCIHJBUUHFCO-MWLCHTKSSA-N	264.325	1.338	10	20	CDCD	
CCCC[C@@H](CN)NC(=O)NCc1ccc(OC)cc1O	841957382	IUAOMHCUOQLEMC-LBPRGKRZSA-N	295.383	1.718	10	20	CDCD	
CCc1cccc(CN2CCN(CCO)C(C)(C)C2)c1O	848905567	LJVLOFZQCDJTPW-UHFFFAOYSA-N	292.423	1.843	10	20	CDCD	
COc1ccc(N(C)CCN(C)C(=O)C2(N)CCC2)cc1	846696857	IJTSCRNHIBRJMX-UHFFFAOYSA-N	291.395	1.471	10	20	CDCD	
COC(=O)[C@@H]1C[C@H](O)CN(Cc2cc(C)ccc2O)C1	843434043	GYWKOMBIHCKWRI-OLZOCXBDSA-N	279.336	1.056	10	20	CDCD	
CC(=O)N1CCN(c2ccc(OC[C@H](C)O)cc2)CC1	840753865	YGMCUMVRWJGIPO-LBPRGKRZSA-N	278.352	1.115	10	20	CDCD	
COCCN(Cc1ccc(N(C)C)cc1C)[C@@H](C)C(N)=O	840914840	ZPEWLBQPVDWRDZ-ZDUSSCGKSA-N	293.411	1.383	10	20	CDCD	
O=C(NCC[C@@]1(O)CCCOC1)c1cc(O)cs1	846664097	CKDIOTKYINAILL-LBPRGKRZSA-N	271.338	1.115	10	20	CDCD	
O[C@]1(CCNCc2ccc3c(c2)CCO3)CCCOC1	846108875	FELGAMWKGDPRDN-INIZCTEOSA-N	277.364	1.643	10	20	CDCD	
CCc1cccc(CNC2(CCO)CCOCC2)c1O	848890700	KDWKNLNEXQGFKY-UHFFFAOYSA-N	279.380	1.976	10	20	CDCD	
Nc1ccc(Cc2nc([C@@H]3CC(=O)N(C4CC4)C3)no2)cc1	843188680	CKMKARIAVWVONT-LLVKDONJSA-N	298.346	1.721	10	20	CDCD	
O=C(CCn1cccn1)NCc1cc(Cl)ccc1O	857547644	NUZTZYYIKWYUPV-UHFFFAOYSA-N	279.727	1.949	10	20	CDCD	
NC(=O)CC1(CNCc2ccc3c(c2)CCCO3)CC1	922192105	OYTVRPANHCEJGW-UHFFFAOYSA-N	274.364	1.757	10	20	CDCD	
C[C@H](N[C@H]1C[C@H](O)C1)c1ccc(N2CCOCC2)c(F)c1	850577867	DTRYDYYKFZMENX-UBHSHLNASA-N	294.370	1.836	10	20	CDCD	
COC[C@H](O)CNCc1cc(OC)cc(C(C)(C)C)c1O	850287117	SVSZXDINVIZVBK-GFCCVEGCSA-N	297.395	1.795	10	20	CDCD	
CCn1ncc(C(=O)NCc2ccc(O)c(O)c2)c1C	866770528	YDIUOXAJVPKHQJ-UHFFFAOYSA-N	275.308	1.553	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)c1cnn2cccnc12	762264308	SPQZMXLDHZMCBM-UHFFFAOYSA-N	298.302	1.113	10	20	CDCD	
Cn1ccc(C(=O)NCCc2ccc(O)c(O)c2)c1	762261478	MXCRSTRZOCSVHA-UHFFFAOYSA-N	260.293	1.409	10	20	CDCD	
CC(=O)NC[C@@H]1CCCCN1C(=O)Cc1ccc(N)cc1	877119208	VAXZWDKPCUOUJX-HNNXBMFYSA-N	289.379	1.329	10	20	CDCD	
COc1cc(O)c(CN2CCN[C@@H](C)C2)cc1OC	775638851	JDTLFYBCYPUNFU-JTQLQIEISA-N	266.341	1.203	10	20	CDCD	
CN(C)c1ccc(CN2CCC3(CCNC3=O)CC2)cc1	877783390	RDWUDDIFFYWCBC-UHFFFAOYSA-N	287.407	1.855	10	20	CDCD	
C[C@H](NC(=O)N[C@H]1C[C@@H](CO)C1)c1ccc(N(C)C)cc1	875507419	DUEPRANHYCLSTM-SGMGOOAPSA-N	291.395	1.884	10	20	CDCD	
Cc1c[nH]cc(C(=O)N(C)Cc2ccccc2O)c1=O	777797438	SPEMNVDLHMUJAM-UHFFFAOYSA-N	272.304	1.661	10	20	CDCD	
C[C@H]1C(=O)N(C)CCN1Cc1cc(Cl)cc(F)c1O	779199725	IZGHCRHFGFNWGG-QMMMGPOBSA-N	286.734	1.847	10	20	CDCD	
O=C(N[C@H]1CCO[C@@]2(CCOC2)C1)c1cc(O)cs1	771419983	ULAXOFDSVPXUKS-ZANVPECISA-N	283.349	1.522	10	20	CDCD	
Cc1ccc(C(=O)N[C@H]2CC[C@H](O)CC2)c(O)c1O	780995188	JVRPBDXBOQIUDS-MGCOHNPYSA-N	265.309	1.440	10	20	CDCD	
O=C(COC(=O)[C@H]1CCCO1)c1ccc(O)c(O)c1	784366684	KSBBCVWFHHCXFO-GFCCVEGCSA-N	266.249	1.003	10	20	CDCD	
OC[C@]12C[C@@H]1CN(Cc1cc(Cl)ccc1O)C2	783747088	ZSESDZQKRZGXEX-ZWNOBZJWSA-N	253.729	1.860	10	20	CDCD	
C[C@@H]1NC(=O)[C@@H](C)N(Cc2cc3c(cc2O)OCO3)[C@@H]1C	895114517	MEMICHWLAMKMLG-IVZWLZJFSA-N	292.335	1.218	10	20	CDCD	
COc1cc(C)cc(CN2CCS(=O)CC2)c1O	894004657	WGXIODCKTVYEMV-UHFFFAOYSA-N	269.366	1.274	10	20	CDCD	
C[C@@H](CN1CCOCC1)N(C)C(=O)c1cc(O)cs1	791020803	WCUQKEIHSUGJCC-JTQLQIEISA-N	284.381	1.246	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)C2=CCOCC2)c1	793690279	UPVCTYBKBSLURY-JTQLQIEISA-N	277.320	1.925	10	20	CDCD	
CC[C@@H](C)NC(=O)NCc1ccc(OC)cc1O	792761766	HAKKTMPWVRDXDV-SECBINFHSA-N	252.314	1.999	10	20	CDCD	
C[C@H](NCc1nnc2n1CCOC2)c1ccc(F)cc1O	1320702292	QNSMYNNDIQXQDM-VIFPVBQESA-N	292.314	1.504	10	20	CDCD	
CCO[C@@H]1COCC[C@@H]1NCc1cccc(C)c1O	761222492	JMTCSJRTPRTJQD-UONOGXRCSA-N	265.353	1.984	10	20	CDCD	
O=C(O)[C@H](NCc1cc(F)cc(F)c1O)[C@@H]1CCOC1	1334053702	CWBLEPXDIKVEPD-RDDDGLTNSA-N	287.262	1.250	10	20	CDCD	
Nc1ccc(CN[C@H]2C[C@H]3CCCCN3C2=O)cc1	1334774469	IVXQWPUEPDUNHC-KGLIPLIRSA-N	259.353	1.512	10	20	CDCD	
C[C@H](NC[C@@H]1CN2CCC[C@@H]2CO1)c1ccccc1O	91662200	KBGZFIYNAOOLAH-BFHYXJOUSA-N	276.380	1.906	10	20	CDCD	
CC(C)CNCC(=O)NC[C@@H](N)c1ccc(N(C)C)cc1	1346005588	WKYSNLFMFYIXGC-OAHLLOKOSA-N	292.427	1.114	10	20	CDCD	
COC(=O)COc1ccc(N(C)CCOC2CC2)cc1	1351286850	HTFIETKGXSHIIZ-UHFFFAOYSA-N	279.336	1.854	10	20	CDCD	
Cc1ccc(C(=O)N[C@@](C)(C(=O)O)C2CC2)c(O)c1O	1600335478	NEORJUYEJOOCAU-CQSZACIVSA-N	279.292	1.389	10	20	CDCD	
Cc1ccc(O)c(CN[C@@]2(CC(=O)O)CCCOC2)c1	1600464633	GJQSSAWBSHBRAG-OAHLLOKOSA-N	279.336	1.814	10	20	CDCD	
CC(C)(CCNCCc1ccc(N)cc1)C(=O)O	1609675207	YRZFJTRXUKQTOP-UHFFFAOYSA-N	250.342	1.902	10	20	CDCD	
COCCN(CCC(=O)O)Cc1c(O)cccc1OC	1610260483	HHIWWZYTHOQFGX-UHFFFAOYSA-N	283.324	1.324	10	20	CDCD	
CCC(CC)(C(=O)O)C(=O)NCc1cccc(O)c1O	1589476060	TWEPGZFUGCPXSE-UHFFFAOYSA-N	281.308	1.605	10	20	CDCD	
Nc1cnc(C(=O)NCc2c(O)ccc3ccccc23)cn1	1580464903	WVXVJGNAZHOZBK-UHFFFAOYSA-N	294.314	1.848	10	20	CDCD	
C[C@H](N[C@@H]1CCCOC1)c1cccc(-c2nn[nH]n2)c1O	1589973228	DVBYDKQENFLRAE-VHSXEESVSA-N	289.339	1.402	10	20	CDCD	
C[C@H](N[C@H](CO)CC(F)F)c1cc(C(=O)O)ccc1O	1593211222	VWBNJLPXSSEPFJ-CBAPKCEASA-N	289.278	1.757	10	20	CDCD	
CC(C)(CNC(=O)NCc1c(O)cccc1F)CC(=O)O	1590726364	QKXVWQWOFANFQT-UHFFFAOYSA-N	298.314	1.831	10	20	CDCD	
CCOc1cccc(CN2C[C@H](CN)C[C@H]2C)c1O	250504249	CCNKSURQSBEUHJ-NEPJUHHUSA-N	264.369	1.960	10	20	CDCD	
CCOC[C@@H](NCc1ccc(OC)c(C)c1)C(=O)O	1776905758	VTIVGRRCZDFVHQ-GFCCVEGCSA-N	267.325	1.583	10	20	CDCD	
CCc1cccc(CN2CCN3C(=O)OC[C@@H]3C2)c1O	848888557	WRBPFBMZPCRJCY-ZDUSSCGKSA-N	276.336	1.591	10	20	CDCD	
CCN(CC)c1ccc(CNCc2cnnn2C)cc1	267513565	KWDREXRYFTZOPE-UHFFFAOYSA-N	273.384	1.951	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCC(CF)CC1	295536074	CFMUMAZGIBZCLD-UHFFFAOYSA-N	253.273	1.920	10	20	CDCD	
C[S@](=O)CCCNCc1cc([N+](=O)[O-])ccc1O	116918431	RKCPBKSZVVUORT-GOSISDBHSA-N	272.326	1.159	10	20	CDCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C1CC1	68536115	ULXAWNZOFNLRHD-UHFFFAOYSA-N	274.364	1.892	10	20	CDCD	
CN(CC(=O)N(C)CC(F)(F)F)Cc1ccccc1O	111235626	DKYITKSSKSYNHS-UHFFFAOYSA-N	290.285	1.845	10	20	CDCD	
O=S1(=O)CCC[C@@H](NCc2cc(Cl)ccc2O)C1	69142251	HKMHNORFPSIOPM-LLVKDONJSA-N	289.784	1.712	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H](C)CO	304211818	FAOSBBZJRGKFPZ-NSHDSACASA-N	265.357	1.241	10	20	CDCD	
CCOC[C@H]1CCN(C(=O)c2ccc(C)c(O)c2O)C1	182553597	HYQCUYQTNNTUHG-NSHDSACASA-N	279.336	1.905	10	20	CDCD	
CCOc1ccc(O)c(CN2CCN(CCOC)CC2)c1	123019873	RPHJKHFDMSDHMP-UHFFFAOYSA-N	294.395	1.555	10	20	CDCD	
COc1cc(Cl)cc(CN2CCNC(=O)[C@@H]2C)c1O	184684944	WOTPPXPPVZFCQQ-QMMMGPOBSA-N	284.743	1.375	10	20	CDCD	
CCOc1cccc(CN2CCCNCC2)c1O	38086958	CJMXKKJPKNHKMU-UHFFFAOYSA-N	250.342	1.586	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NCCCn1ccnc1	180585343	YRJIZVIUVFCIRN-HWKANZROSA-N	287.319	1.514	10	20	CDCD	
COc1cccc(CNC(=O)Cc2cncs2)c1O	188551733	SIKASTREOIFWPN-UHFFFAOYSA-N	278.333	1.716	10	20	CDCD	
CC(C)[C@H](CN)C(=O)N1CCOc2cc(N(C)C)ccc21	433147237	CDJBWTWHGOYIGL-ZDUSSCGKSA-N	291.395	1.709	10	20	CDCD	
Oc1cccc(Cl)c1CNC[C@@H]1COCCN1	530180628	DMGZCFDWXDDLIM-SECBINFHSA-N	256.733	1.124	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNC[C@@H]2CCCCO2)c1O	278837862	JJGPFIQCVFTLMJ-NSHDSACASA-N	296.323	1.968	10	20	CDCD	
CC[C@H](CNS(C)(=O)=O)NCc1ccc2c(c1)CCO2	295127584	XNZHLOJFZFSOEI-CYBMUJFWSA-N	298.408	1.039	10	20	CDCD	
C[C@@H](O)CCCNC(=O)c1c(F)ccc(O)c1O	295219732	MZRKIGYUKGDHHZ-SSDOTTSWSA-N	257.261	1.128	10	20	CDCD	
CNC(=O)[C@H](CCSC)NCc1cc(C)ccc1O	808436782	CYXJZUQYORJHRH-LBPRGKRZSA-N	282.409	1.658	10	20	CDCD	
Cn1cc([C@@H]2CN(Cc3cccc(F)c3O)C[C@H]2N)cn1	818431332	JIVPLVMBJIQGQB-GXTWGEPZSA-N	290.342	1.192	10	20	CDCD	
Cc1ncc2n1C[C@@H](C(=O)NCc1ccccc1O)CC2	816911851	AZMQREILKYSUGV-ZDUSSCGKSA-N	285.347	1.776	10	20	CDCD	
O[C@@H]1CC[C@H]1NCc1ccc(N2CCOCC2)c(F)c1	818230579	HFHYKXHCWZGIAC-UKRRQHHQSA-N	280.343	1.275	10	20	CDCD	
Cc1ccc(C(=O)N2CC[C@H](c3nc[nH]n3)C2)c(O)c1O	819725188	TVCXRMFKMLTDNI-VIFPVBQESA-N	288.307	1.154	10	20	CDCD	
COc1cc(O)c(CNC[C@@H](O)C2CCC2)cc1OC	825240191	IWUGUHVMLFNHMN-CYBMUJFWSA-N	281.352	1.660	10	20	CDCD	
CCn1nc(C)c(CNCc2ccc(OC)cc2O)n1	824319961	BBERXWTVPJQAIB-UHFFFAOYSA-N	276.340	1.610	10	20	CDCD	
CC[C@H](NCc1cc([N+](=O)[O-])ccc1O)[C@@H](C)O	824920909	BXZFSHTWZJMKAH-KCJUWKMLSA-N	254.286	1.549	10	20	CDCD	
CN(Cc1ccccc1O)c1ccc(-c2nn[nH]n2)cn1	825981805	YGLVDGCSZVIBAF-UHFFFAOYSA-N	282.307	1.604	10	20	CDCD	
COc1ccc(O)c(CN2C[C@H](C)[C@@](C)(CO)C2)c1	827699120	FFRGTTWZIBJZOE-XHDPSFHLSA-N	265.353	1.851	10	20	CDCD	
C[C@@H](NC(=O)C(C)(C)C(N)=O)c1ccccc1O	827946567	MFTUIZBMESJDGR-MRVPVSSYSA-N	250.298	1.081	10	20	CDCD	
O=C(CNC(=O)c1c(F)ccc(O)c1O)NC1CCCC1	825624204	GFMAHJYZWJGBJN-UHFFFAOYSA-N	296.298	1.026	10	20	CDCD	
CNC(=O)C1CN(Cc2cccc(Br)c2O)C1	839141907	ATJHBYVVXBJVDR-UHFFFAOYSA-N	299.168	1.333	10	20	CDCD	
COc1ccc(O)c(CNc2cc(C)nc3ncnn23)c1	733994230	CJUDPQBKVFXANR-UHFFFAOYSA-N	285.307	1.759	10	20	CDCD	
CC[C@H](NC(=O)c1cc(O)cs1)C(OC)OC	839741503	ZGPLFFAZGKTHBS-QMMMGPOBSA-N	259.327	1.581	10	20	CDCD	
CC[C@H](C)[C@](C)(O)CNC(=O)c1cc(O)cs1	743482151	OOWBCPRAAIDJHK-QPUJVOFHSA-N	257.355	1.981	10	20	CDCD	
CCOC1(C(=O)NCc2ccccc2O)CCOCC1	830526830	QWDOUFLKPZYLBU-UHFFFAOYSA-N	279.336	1.594	10	20	CDCD	
CC(C)OC[C@@H](C(=O)O)N(C)Cc1ccccc1O	833504298	BNGHDKJAKCKYNM-LBPRGKRZSA-N	267.325	1.702	10	20	CDCD	
CCN1CCC[C@H](NC(=O)c2cc(OC)nc(OC)c2)C1	1007795256	YLTKASHSXLYLAG-LBPRGKRZSA-N	293.367	1.313	10	20	CDCD	
C[C@H](N)CNC(=O)NCc1ccc(N2CC=CC2)cc1	841831779	FBNQAUFGUHCQIT-LBPRGKRZSA-N	274.368	1.209	10	20	CDCD	
CCOc1ccc(CN2CC[C@@H](N)[C@@H](C)C2)c(O)c1	843051098	DZPPKIPGOVQIJL-SMDDNHRTSA-N	264.369	1.960	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](C)CN	841824769	TWGJDNYPJDDLDO-LLVKDONJSA-N	264.373	1.207	10	20	CDCD	
O=C(c1cc(O)cs1)N1CC(OCC(F)F)C1	748424586	YUEKEWJNGWXQGW-UHFFFAOYSA-N	263.265	1.560	10	20	CDCD	
CNCCCN(C)Cc1ccc(N2CCN(C)CC2)cc1	841104989	YBZLDDJWZGRZQH-UHFFFAOYSA-N	290.455	1.480	10	20	CDCD	
C[C@H]1CN(C(=O)C(=O)Nc2ccc(N)cc2)C[C@H](C)S1	841050966	LKEBKEDQXUGWIS-UWVGGRQHSA-N	293.392	1.560	10	20	CDCD	
CCN1C(=O)/C(=C/c2cc(C)n(C)n2)SC1=S	840713440	RZNUMMRMAZGRNX-TWGQIWQCSA-N	267.379	1.950	10	20	CDCD	
COc1ccc(N(C)CCN(C)CC(=O)NC(C)C)cc1	844398746	BGTXEEUIIHSQGD-UHFFFAOYSA-N	293.411	1.588	10	20	CDCD	
C[C@@H](NCc1ccc(N(C)C)c(F)c1)c1cnn(C)n1	924862035	OPPSTWWDICPUSW-SNVBAGLBSA-N	277.347	1.871	10	20	CDCD	
CO[C@@](C)(C(=O)O)C(=O)NCc1ccc(N(C)C)cc1C	852952614	NDEGSKSNZCDTII-OAHLLOKOSA-N	294.351	1.167	10	20	CDCD	
CCN(C)c1ccc(CN(C)C[C@@H]2COCCO2)cc1	852496203	PYFGQVLSXJEOGL-MRXNPFEDSA-N	278.396	1.990	10	20	CDCD	
COc1ccc(O)c([C@H](C)N[C@@H](C)[C@@H]2CN(C)CCO2)c1	756759992	NAVIDBLQVSYGMK-MKBNYLNASA-N	294.395	1.771	10	20	CDCD	
CN(C)c1ccc(CN[C@]2(CO)CCOC2)cc1F	757978604	NRKPDUTYMBBHLW-AWEZNQCLSA-N	268.332	1.133	10	20	CDCD	
O=C1CCCN1C[C@H]1CCN(C(=O)c2cc(O)cs2)C1	856180850	QROFABAQHKBIRL-SNVBAGLBSA-N	294.376	1.538	10	20	CDCD	
CON(C)C(=O)[C@@H](C)NCc1cc(C)ccc1O	858325167	OCFGCLUWBBYOPQ-SNVBAGLBSA-N	252.314	1.199	10	20	CDCD	
C[C@H]1C[C@@H](NCc2ncn(C)n2)c2c(O)ccc(F)c21	756778869	GDHVJNQVMJLXDZ-WCBMZHEXSA-N	276.315	1.998	10	20	CDCD	
COCCN[C@H](C)c1cc(C(=O)OC)ccc1O	756343498	OUXNORNHTRKNMQ-SECBINFHSA-N	253.298	1.476	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)NCc2nccn2C)c1	756539700	RNUFJDWMCOXVIE-SNVBAGLBSA-N	289.335	1.763	10	20	CDCD	
O=C(NCc1cccc(Br)c1O)c1cc[nH]n1	765737737	YHOQQJVWIRWWMQ-UHFFFAOYSA-N	296.124	1.808	10	20	CDCD	
C[C@@H]1C(=O)NCCN1Cc1c(O)cccc1Br	862235837	CZCUSGALKWZRDS-MRVPVSSYSA-N	299.168	1.475	10	20	CDCD	
CO[C@@]1(CNCc2cc(C)c(C)cc2O)CCOC1	763479411	IQJICLZOUDNNTQ-OAHLLOKOSA-N	265.353	1.904	10	20	CDCD	
CN1CCCc2cc(CNC(=O)c3ccc(N)nc3)ccc21	876739026	BKXOSIZOFZZPNL-UHFFFAOYSA-N	296.374	1.976	10	20	CDCD	
C[C@H](NC(=O)CNC(=O)C1CC1)c1ccc(N(C)C)cc1	773008226	LCYNHBPEDGGPRF-NSHDSACASA-N	289.379	1.456	10	20	CDCD	
CC(C)(C)OC(=O)[C@@](C)(O)CNCc1cc(F)ccc1O	776521303	VYRORVOUDGAVMI-HNNXBMFYSA-N	299.342	1.714	10	20	CDCD	
COc1cc(O)c(CN[C@@H]2CCCN(C)C2=O)cc1OC	776231564	JSCFFWQBXLRBRY-LLVKDONJSA-N	294.351	1.120	10	20	CDCD	
CCN[C@@H](C)C(=O)NCc1ccc(N(C)C)c(F)c1	876740361	LWEWBOOHJOQMJR-JTQLQIEISA-N	267.348	1.506	10	20	CDCD	
CCN(C)c1ccc(CN[C@@H](CO)c2cnn(C)c2)cc1	773839158	MQNNSBRBHCVKMN-INIZCTEOSA-N	288.395	1.699	10	20	CDCD	
COC[C@H](NCc1cc(F)cc(F)c1O)[C@@H]1CCCO1	883106189	KSTFIWOHHKBVGG-STQMWFEESA-N	287.306	1.954	10	20	CDCD	
Cc1ccc(C(=O)N2CCC[C@H](CCO)C2)c(O)c1O	780982876	CNOUNXROIZMQHK-LLVKDONJSA-N	279.336	1.641	10	20	CDCD	
Cc1sc(C(N)=O)cc1NC(=O)c1cccc(O)c1O	790893288	GIFHMPJPHUYMKL-UHFFFAOYSA-N	292.316	1.819	10	20	CDCD	
C[C@H]1c2nncn2CCN1Cc1cc(F)cc(F)c1O	894552188	ROWIAZNPHRWKNV-QMMMGPOBSA-N	280.278	1.839	10	20	CDCD	
COc1ccc(CNC(=O)CCn2ccnc2)c(O)c1	794379063	MSXGHRLIRRLKSZ-UHFFFAOYSA-N	275.308	1.304	10	20	CDCD	
CCOc1cccc(CN2C[C@H](O)C(C)(C)C2)c1O	790937166	GVRUNDLQTSSGNT-ZDUSSCGKSA-N	265.353	1.994	10	20	CDCD	
C[C@@H](NC(=O)Cc1ccc(N)cc1)C(=O)NC(C)(C)C	134453522	NEMCIOVVRCRQRH-SNVBAGLBSA-N	277.368	1.231	10	20	CDCD	
CN1CCN(C)[C@@H](CNCc2cc(F)cc(F)c2O)C1	708394009	NOFQCGRIIJAVCS-LBPRGKRZSA-N	285.338	1.006	10	20	CDCD	
COCCN(C)CCN[C@H](C)c1ccc(N(C)C)cc1	61376773	CVKCGCBDSOINAW-CQSZACIVSA-N	279.428	1.981	10	20	CDCD	
CN(C)C(=O)OCCN(C)c1ccc2c(c1)OCO2	1337727727	FYDRRZSXAZOBGG-UHFFFAOYSA-N	266.297	1.550	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)Cc1ncnn1C	750184515	KJZQTFUTSQEORY-UHFFFAOYSA-N	259.357	1.513	10	20	CDCD	
O=C(COCc1ccncc1)NCc1ccc(O)c(O)c1	1261218563	YKIROZYURZPMQG-UHFFFAOYSA-N	288.303	1.326	10	20	CDCD	
Nc1ccc(CN(CCO)CCOCC(F)(F)F)cc1	1262488193	TZQPHSMMRZISKF-UHFFFAOYSA-N	292.301	1.642	10	20	CDCD	
Nc1ccc(CNC(=O)c2cc3c(s2)CCNC3)cc1	1524009482	SSCCIFCLDHQMJY-UHFFFAOYSA-N	287.388	1.906	10	20	CDCD	
CC(C)CC[C@@H](N)C(=O)NCc1cccc(O)c1O	1575560731	MQAKTJBEBFCWBK-LLVKDONJSA-N	266.341	1.478	10	20	CDCD	
C[C@H](NCCN(C)C)c1cc(C(=O)O)ccc1O	1593266162	ARJFCCKYIZOJHK-VIFPVBQESA-N	252.314	1.303	10	20	CDCD	
CN(C)c1ccc(CN[C@@H](C(=O)O)[C@@H]2CCOC2)cc1	1777039719	WKJIXSYSAXSPQW-TZMCWYRMSA-N	278.352	1.332	10	20	CDCD	
Cc1c(/C=C/C(=O)N2C[C@H](C)Oc3ncccc32)cnn1C	151980052	PRQPXYMTLFLFMR-MLRMMBSGSA-N	298.346	1.951	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N(C)CCO	305712366	FUUIVUJWPLSOCC-UHFFFAOYSA-N	265.357	1.195	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2cc(C(N)=O)c[nH]2)cc1	175769878	YHRGVOQYWYUQLS-UHFFFAOYSA-N	286.335	1.110	10	20	CDCD	
CC(C)C[C@H](N)C(=O)N(C)Cc1ccccc1O	37823765	KPYTUCQDPMCVGC-LBPRGKRZSA-N	250.342	1.724	10	20	CDCD	
Cc1ccccc1[C@@H](O)CNC(=O)c1cccc(O)c1O	187089579	JOFSFWJLWDTIHV-AWEZNQCLSA-N	287.315	1.870	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2cnn3ccncc23)cc1	188458328	BLTVVDNPSQHCPR-UHFFFAOYSA-N	295.346	1.725	10	20	CDCD	
CC(C)OCCOC[C@H](O)CN(C)Cc1ccccc1O	121139844	JIWSWQOTBZWNML-OAHLLOKOSA-N	297.395	1.627	10	20	CDCD	
CC[C@@H](CO)N[C@@H](C)c1ccc(N2CCOCC2)cc1	188678600	KWZJYUSVLYKRCB-ZFWWWQNUSA-N	278.396	1.945	10	20	CDCD	
CNCCC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	49844446	LWHRLXZTXOEQGA-UHFFFAOYSA-N	291.395	1.091	10	20	CDCD	
CCOc1ccc(O)c(CN[C@@H]2C(=O)NCC[C@@H]2C)c1	193687598	SARGMFAFNGRNSK-HZMBPMFUSA-N	278.352	1.405	10	20	CDCD	
CC[C@H](N)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1	40855890	YXJXPCBFSHCJRK-HNNXBMFYSA-N	291.395	1.219	10	20	CDCD	
Cc1oc2ncn(C)c(=O)c2c1C(=O)Nc1ccc(N)cc1	195308837	JIPXADKRWWUDRW-UHFFFAOYSA-N	298.302	1.669	10	20	CDCD	
COc1ccc(O)c(CN[C@@H](C)[C@H]2CCOC2)c1	163297882	YCCPZARVMXMIJQ-QWRGUYRKSA-N	251.326	1.915	10	20	CDCD	
Nc1ccc(CCNC(=O)[C@H]2CCC[C@@H](N)C2)cc1	262569851	BUHLOYVYBGMUCU-GXTWGEPZSA-N	261.369	1.445	10	20	CDCD	
C[C@@H](NCCCO)c1ccc(N2CCOCC2)cc1	268726984	RMHNMCXWCWEKNO-CYBMUJFWSA-N	264.369	1.556	10	20	CDCD	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CO)cc1	270854598	YQZXXGXJUJLTDL-HNNXBMFYSA-N	292.379	1.253	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@H](C)[C@H]2CCOC2)c1O	278551909	ZGSWDPIZQLDGRT-KOLCDFICSA-N	296.323	1.824	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)[C@H](C)CN)cc1F	285768747	LNZHOJKUTIGGEM-LLVKDONJSA-N	281.375	1.883	10	20	CDCD	
OC[C@@]1(F)CCCN(Cc2cc(F)ccc2O)C1	289901010	UJVYQTTZHIXOKM-CYBMUJFWSA-N	257.280	1.828	10	20	CDCD	
COCC[C@@H](CO)NCc1ccc(N(C)C)cc1	282126087	FZHNLLJXERETQA-ZDUSSCGKSA-N	252.358	1.240	10	20	CDCD	
CN1[C@H]2CC[C@H]1CC(NC(=O)NCc1ccccc1O)C2	297149621	UJUFKWRXXIEHRH-KBPBESRZSA-N	289.379	1.817	10	20	CDCD	
C[C@@H](NC[C@H]1CC[C@@H](CO)O1)c1ccc(N(C)C)cc1	293747630	QAQBIULHYFASLN-WQVCFCJDSA-N	278.396	1.943	10	20	CDCD	
CC(=O)N[C@@H]1CCN(Cc2cc3c(cc2O)CCCC3)C1	817367627	KLMFGXQEQOEOAS-MRXNPFEDSA-N	288.391	1.981	10	20	CDCD	
CC[C@@H](CNCc1ccc(N2CCN(C)CC2)cc1)OC	810176792	WRDIZVKDMFCJEQ-KRWDZBQOSA-N	291.439	1.953	10	20	CDCD	
COc1cnc(C(=O)NCc2ccc(OC)cc2O)nc1	816551268	VDIZCXGDTSQTSQ-UHFFFAOYSA-N	289.291	1.129	10	20	CDCD	
CC[C@H](NC)C(=O)N1CCOc2cc(N(C)C)ccc21	662753542	SUZXALYFQJBYAC-LBPRGKRZSA-N	277.368	1.476	10	20	CDCD	
C[C@@H]1COC[C@H]1NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	903448817	TWRUJYZRYXXJTK-XYPHTWIQSA-N	291.439	1.980	10	20	CDCD	
O=C(Nc1nc2n(n1)CCCC2)c1cccc(O)c1O	837194825	BKMWRXLZZZHHJN-UHFFFAOYSA-N	274.280	1.278	10	20	CDCD	
Cc1nccc(C(=O)NC[C@H](N)c2ccc(N(C)C)cc2)n1	832273017	LIGMTTBIPIVDNS-AWEZNQCLSA-N	299.378	1.281	10	20	CDCD	
CC(C)CNC(=O)[C@@H](C)OC(=O)c1cc(O)cs1	731909800	KUQJVWBOIZXQME-MRVPVSSYSA-N	271.338	1.771	10	20	CDCD	
COC/C(C)=C\C(=O)N(CC(=O)O)Cc1ccccc1O	911493196	LENKVTYVWYOITA-XFFZJAGNSA-N	293.319	1.398	10	20	CDCD	
CO[C@@H]1CCN(C(=O)c2ccc(C)c(O)c2O)C[C@H]1C	836839080	XTYYPBMFQIUHRY-ZYHUDNBSSA-N	279.336	1.903	10	20	CDCD	
Cn1cccc1CNC(=O)NCc1ccccc1O	743709848	GECCBWMCYJGMJE-UHFFFAOYSA-N	259.309	1.730	10	20	CDCD	
Nc1ccc(Cc2noc(CCN3CCOC3=O)n2)cc1	843160245	WVXNCLOBYYSOIM-UHFFFAOYSA-N	288.307	1.237	10	20	CDCD	
COC[C@]1(C)CCN(C(=O)NCCc2ccc(N)cc2)C1	841955547	GJIQZRVZULADSA-MRXNPFEDSA-N	291.395	1.879	10	20	CDCD	
C[C@@H](N)[C@@H]1CCCN(Cc2cc3c(cc2O)OCO3)C1	843051074	DHWMANPGQLNWPL-GHMZBOCLSA-N	278.352	1.680	10	20	CDCD	
COC(=O)Cn1cc(COc2ccc(N(C)C)cc2)nn1	842042960	CTMUKEZZSASCLH-UHFFFAOYSA-N	290.323	1.096	10	20	CDCD	
CCc1cccc(CN2CCC(C(N)=O)CC2)c1O	848876017	FSTBYHQPXJPEOI-UHFFFAOYSA-N	262.353	1.652	10	20	CDCD	
CC(C)(N)CNCc1ccc(N2CCOCC2)c(F)c1	841031536	VEZXYPSXWNEHRO-UHFFFAOYSA-N	281.375	1.489	10	20	CDCD	
CCOc1cccc(CNCCCN2CCNCC2)c1O	841029958	PVCKUYSAQRSGEB-UHFFFAOYSA-N	293.411	1.176	10	20	CDCD	
CN(C)c1ccc(CN2CCNC[C@H]2c2nccn2C)cc1	843122234	PMACNLTXCZMHER-INIZCTEOSA-N	299.422	1.633	10	20	CDCD	
CN(C)c1ccc(CN2CCO[C@@H](CN)C2)cc1F	843071281	ZYIDHNGGSXBYKA-LBPRGKRZSA-N	267.348	1.051	10	20	CDCD	
CCOc1ccc(CN(C)[C@H]2CCNC2)c(O)c1	843049571	QOMSOIRKMMKHQB-LBPRGKRZSA-N	250.342	1.585	10	20	CDCD	
CC(C)CCN(C)C(=O)C(=O)Nc1ccc(N)cc1	841018234	FQGNQYYUWYNKSN-UHFFFAOYSA-N	263.341	1.712	10	20	CDCD	
CCCN1CC[C@@H](NC(=O)NCc2cc(C)ccc2O)C1	858618465	CSVAMDYSPNGZNB-CQSZACIVSA-N	291.395	1.984	10	20	CDCD	
CCCCN(Cc1ccccc1O)C(=O)[C@H]1CCNC1=O	854373556	JDFBPPSMSZKCBW-ZDUSSCGKSA-N	290.363	1.657	10	20	CDCD	
C[C@@H](NS(=O)(=O)CCCF)c1ccccc1O	867835013	ZGHOTXDCHHKWDF-SECBINFHSA-N	261.318	1.732	10	20	CDCD	
COC[C@H]1CN(Cc2ccc(C)cc2O)CCO1	876748536	DZIFFGZTJMBCMX-CYBMUJFWSA-N	251.326	1.548	10	20	CDCD	
CC[C@@H](CO)NCc1ccc(OC)c(Cn2cccn2)c1	873007140	IAFIVZPWWKRMCS-HNNXBMFYSA-N	289.379	1.801	10	20	CDCD	
C[C@H](NC(=O)c1cnn[nH]1)c1ccc(N(C)C)cc1	773022711	WGHTZGUQLNKQQH-VIFPVBQESA-N	259.313	1.362	10	20	CDCD	
CON(C)C(=O)NCc1ccc(N2CCN(C)CC2)cc1	889665200	IARRGNZXGNXNHW-UHFFFAOYSA-N	292.383	1.141	10	20	CDCD	
CC1=NO[C@@](C)(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)C1	1120628609	GZXOUQGNHDAFMH-BJOHPYRUSA-N	292.335	1.700	10	20	CDCD	
COc1cc(C)cc(CN(C)CC(C)(C)O)c1O	894027519	RFQMVAPSDGDXMW-UHFFFAOYSA-N	253.342	1.912	10	20	CDCD	
CC(=O)N1CCN(c2ccc(OCC[N+](=O)[O-])cc2)CC1	899232313	ZAWNGJFFNPQJEY-UHFFFAOYSA-N	293.323	1.011	10	20	CDCD	
Cc1ccc(C(=O)NC[C@@H]2CCC=CO2)c(O)c1O	781479722	LFCTYIQUFGHGKL-JTQLQIEISA-N	263.293	1.829	10	20	CDCD	
COc1cc(C)cc(CNC[C@@]2(O)CCSC2)c1O	894326656	QMDWFMFMWSWGBG-AWEZNQCLSA-N	283.393	1.667	10	20	CDCD	
Cc1cc(C)c(O)c(CN2CC[C@](C)(C(N)=O)C2)c1	794709219	DWWSZSWECBAXJV-HNNXBMFYSA-N	262.353	1.706	10	20	CDCD	
CCC(=O)NCCC1=CCN(c2cc(C)ncn2)CC1	1089795096	SIQDCPMDEIZVRE-UHFFFAOYSA-N	274.368	1.838	10	20	CDCD	
CC[C@](C)(CCO)NCc1cc2c(cc1O)OCO2	134472383	VGHUHYWRBIYFRF-CQSZACIVSA-N	267.325	1.762	10	20	CDCD	
CNC[C@H](C)CNCc1cc2c(cc1O)OCO2	1327416188	PQUBELDCZRAHGE-VIFPVBQESA-N	252.314	1.066	10	20	CDCD	
OCCOCCNCc1c(O)cccc1Br	706805317	YEEAVMRHKQVATF-UHFFFAOYSA-N	290.157	1.253	10	20	CDCD	
C[C@H]1[C@@H](C)OCCN1C(=O)NCc1ccc(N)cc1	1337070424	QKFHSCRMHZZEDA-WDEREUQCSA-N	263.341	1.588	10	20	CDCD	
Cc1csc(=O)n1CCC(=O)NCc1ccc(N)cc1	1343565834	BBLKFKXPSVYTHI-UHFFFAOYSA-N	291.376	1.507	10	20	CDCD	
Cc1c[nH]nc1C(=O)NCCc1ccc(O)c(O)c1	799698381	UNHDBXQUJOQSPS-UHFFFAOYSA-N	261.281	1.102	10	20	CDCD	
Cc1ccc(C(=O)N[C@H]2CCC[C@H]2C(=O)O)c(O)c1O	1600342141	COFIVVDOTXYCAE-SCZZXKLOSA-N	279.292	1.389	10	20	CDCD	
CC1(C)[C@H](N)C[C@H]1C(=O)N1Cc2cccc(O)c2C1	1576373448	UGCIUTFXPKNQOW-WCQYABFASA-N	260.337	1.608	10	20	CDCD	
Oc1cc(F)c(F)cc1CN[C@@H]1C[C@H]2CC[C@@H]1N2	1580888422	KTIFOCMGNJVWQB-JFUSQASVSA-N	254.280	1.653	10	20	CDCD	
C[C@H](NCCC(C)(C)O)c1cccc(-c2nn[nH]n2)c1O	1589960875	HUFCYNYLPIMKRE-VIFPVBQESA-N	291.355	1.384	10	20	CDCD	
CC1(C)C[C@@]1(C(=O)O)C(=O)NCc1ccc(O)cc1O	1589217618	MHQFAEZMVZTIRD-AWEZNQCLSA-N	279.292	1.215	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H](C)C(=O)O	1590345753	GBOKWMXVIIHWNX-QMMMGPOBSA-N	272.297	1.215	10	20	CDCD	
O=C(O)CN(C(=O)c1cc(O)cs1)C1CCOCC1	1595068194	BZUSZCQEFUMJJY-UHFFFAOYSA-N	285.321	1.160	10	20	CDCD	
C[C@](O)(CNCc1ccc2c(c1)CCCO2)CC(=O)O	1776461602	RFTYZJUJPWCJCK-OAHLLOKOSA-N	279.336	1.327	10	20	CDCD	
Cc1cccc(CN(C)C[C@H]2COCCO2)c1O	827140597	LYODELCCRDBGAL-ZDUSSCGKSA-N	251.326	1.548	10	20	CDCD	
NC(=O)c1cccc(CNCc2cc(F)ccc2O)c1	226583742	HQDUUXFBBNNZIH-UHFFFAOYSA-N	274.295	1.920	10	20	CDCD	
C[C@H](NC[C@H](C)S(C)(=O)=O)c1ccccc1O	697619645	FJFMZESZXUCJSY-UWVGGRQHSA-N	257.355	1.476	10	20	CDCD	
CN(Cc1c(O)cccc1Br)[C@@H]1CCNC1=O	862252860	HZDASNRLHWWEBI-SNVBAGLBSA-N	299.168	1.475	10	20	CDCD	
Nc1ccc(CC(=O)N2CC[C@@H](N3CCCCC3)C2)cc1	62973472	YGHCFBDLFGSCDB-MRXNPFEDSA-N	287.407	1.898	10	20	CDCD	
CN(C(=O)NCc1ccc(N2CCOCC2)cc1)C1CC1	114941692	MGBZYFMIOZSEFI-UHFFFAOYSA-N	289.379	1.827	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)[C@@H]2CCCN2)cc1	79390478	JTJXUDDCBXVGQU-HNNXBMFYSA-N	275.396	1.901	10	20	CDCD	
COC(=O)[C@@H]1CCCN1Cc1ccc(N(C)C)cc1	124733181	WVVXVBGOMDONIX-AWEZNQCLSA-N	262.353	1.890	10	20	CDCD	
C[C@H](CO)CSCC(=O)NCc1ccc(N(C)C)cc1	173309465	HBZQJNGOYWBCRT-GFCCVEGCSA-N	296.436	1.730	10	20	CDCD	
COc1ccc(O)c([C@H](C)NCCN2CCO[C@H](C)C2)c1	185361909	LHMBUILIMACJII-OLZOCXBDSA-N	294.395	1.772	10	20	CDCD	
CCOC(=O)[C@H](C)NCc1ccc(N2CCOCC2)cc1	49370308	UHBIPOPYWVATAR-ZDUSSCGKSA-N	292.379	1.564	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@@H](N)CC(F)F	385592677	IYQQFPJAHTWMCW-VIFPVBQESA-N	258.268	1.333	10	20	CDCD	
CCCSCC(=O)NCCc1ccc(O)c(O)c1	269109037	BJEMLWKEAHLJNI-UHFFFAOYSA-N	269.366	1.900	10	20	CDCD	
CO[C@@H](CN)CC(=O)NCc1ccc(N2CCCC2)cc1	278308309	SQXZVYKVWZCNEZ-OAHLLOKOSA-N	291.395	1.267	10	20	CDCD	
CCNC(=O)NCc1cccc(Br)c1O	278316670	ILYFNDGINPMGSF-UHFFFAOYSA-N	273.130	1.974	10	20	CDCD	
Oc1c(Cl)cc(Cl)cc1CN1C[C@H](O)[C@@H](O)C1	278123109	BEGOLBVZEXRITF-UWVGGRQHSA-N	278.135	1.236	10	20	CDCD	
CSCCONC(=O)NCc1ccccc1O	280873131	MUKKCFHCYVCSCC-UHFFFAOYSA-N	256.327	1.486	10	20	CDCD	
COc1cc(O)c(CN2CCn3cncc3C2)cc1OC	291499027	HEXDYFRVBXDVIV-UHFFFAOYSA-N	289.335	1.622	10	20	CDCD	
Oc1cccc2c1[C@H](NC[C@H](O)CN1CCCC1)CC2	296077931	SJRDIZNQLCOWMO-UONOGXRCSA-N	276.380	1.426	10	20	CDCD	
O=C(NCCC1(O)CCC1)c1c(F)ccc(O)c1O	295996750	LWQYZRNJSKUOAI-UHFFFAOYSA-N	269.272	1.272	10	20	CDCD	
CN(C)c1ccc(CN(C(=O)c2c[nH]nn2)C2CC2)cc1	298913289	DZWJIFYBVCVASG-UHFFFAOYSA-N	285.351	1.676	10	20	CDCD	
CCN1C(=O)/C(=C/c2cnccn2)SC1=S	809152239	OTOSGOYXPXVOBJ-YVMONPNESA-N	251.336	1.698	10	20	CDCD	
O=C([C@@H]1CCN(Cc2cc(F)ccc2O)C1)N1CCCC1	290542241	RHIGDXHJQXSBHR-GFCCVEGCSA-N	292.354	1.976	10	20	CDCD	
CCOC(=O)C[C@@H](C)CNC(=O)c1c(F)ccc(O)c1O	295594620	TWRPSVVLAXQHTO-MRVPVSSYSA-N	299.298	1.556	10	20	CDCD	
Cc1ccc(C(=O)N[C@H]2CSC[C@@H]2C)c(O)c1O	804504401	RTNFACPMGQPUGZ-WPRPVWTQSA-N	267.350	1.888	10	20	CDCD	
C[C@@H](NC[C@@H](N)c1ccc(N(C)C)cc1)c1cnccn1	817938537	MRAQUXNDJLLKPD-IUODEOHRSA-N	285.395	1.893	10	20	CDCD	
COc1ccc(CNC(=O)[C@@H](C(C)C)[C@H](C)N)c(O)c1	818000053	DURAFLFDANLFGS-HZMBPMFUSA-N	280.368	1.636	10	20	CDCD	
CC[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)O	820411811	XZYLFVNEQRYHND-OTQAPUNGSA-N	265.265	1.090	10	20	CDCD	
CC1(C)C[C@@]1(C(=O)O)C(=O)NCc1c(O)cccc1F	902854191	ZGCVUBHNWGGQBC-AWEZNQCLSA-N	281.283	1.648	10	20	CDCD	
COc1ccc(CNC(=O)Cn2ccc(C)n2)c(O)c1	831033458	VODIKXUMRRXRAD-UHFFFAOYSA-N	275.308	1.222	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2c[nH]cc2C)c1	734017672	VVQCUFVNEQEIRN-UHFFFAOYSA-N	260.293	1.967	10	20	CDCD	
C[C@]1(CNC(=O)/C=C\c2ccc(O)c(O)c2)CCCO1	588407811	YNPFHRDVMKYEPP-ZDTYVGOBSA-N	277.320	1.796	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NC[C@@H](O)C2CCC2)cc1	836243463	XXTARXAFJBSOTO-OAHLLOKOSA-N	291.395	1.713	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)O[C@@H]2CCOC2)c1	914153815	LPVIBBJKLCMIKH-GXSJLCMTSA-N	281.308	1.977	10	20	CDCD	
COCC(C)(C)C(=O)NCc1ccc(O)cc1O	910949587	LEOCUGIUIHHLKK-UHFFFAOYSA-N	253.298	1.387	10	20	CDCD	
CCN1C(=O)C(C)(C)N[C@H]1c1cccc(F)c1O	840838974	UZBKNSZKAHKLQM-LLVKDONJSA-N	252.289	1.760	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)CNCC	843413294	NTDBIUUKOLGBPW-UHFFFAOYSA-N	250.342	1.740	10	20	CDCD	
COC(=O)c1coc(CNCCc2ccc(N)cc2)c1	841033771	APWBAIZUAXJJJN-UHFFFAOYSA-N	274.320	1.981	10	20	CDCD	
COCC1(NC(=O)Cc2ccc(N)cc2)CCCC1	851639972	OIHPSWJVFZAKLL-UHFFFAOYSA-N	262.353	1.887	10	20	CDCD	
CN1CCC[C@H](OC(=O)/C=C\c2ccc(O)c(O)c2)C1=O	759596020	SZPBPPMQGBOXBD-VGVVRCBHSA-N	291.303	1.275	10	20	CDCD	
C[C@H](C(=O)N(C)Cc1ccccc1O)c1cnn(C)c1	750236090	DIPAMYJSRNBYKX-NSHDSACASA-N	273.336	1.888	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1n[nH]cc1C	935946022	TZVOORVQPIMHAW-UHFFFAOYSA-N	280.324	1.839	10	20	CDCD	
COc1ccc(CNC(=O)c2cn(C3CC3)nn2)c(O)c1	861489470	CAWGWWZMIVFRQD-UHFFFAOYSA-N	288.307	1.257	10	20	CDCD	
CCOc1ccc(CN2CCN(C)C(=O)C2(C)C)c(O)c1	769482132	HHZJXUQALKROKO-UHFFFAOYSA-N	292.379	1.844	10	20	CDCD	
O=C(NC[C@H](CO)Cc1ccco1)c1cc(O)cs1	761122752	WYOZOIGCXDXGDA-SECBINFHSA-N	281.333	1.628	10	20	CDCD	
COC(=O)[C@@H](CC(F)(F)F)NC(=O)c1cc(O)cs1	765864118	GBVAHWJVIATHIE-ZCFIWIBFSA-N	297.254	1.678	10	20	CDCD	
Nc1ccc(CCNC(=O)c2ncc3n2CCCC3)cc1	867964262	WVFQVJZQYNMBEY-UHFFFAOYSA-N	284.363	1.774	10	20	CDCD	
COC(=O)c1cc(CN(C)Cc2ccccc2O)on1	876615662	KHNHPDFOWMTGIH-UHFFFAOYSA-N	276.292	1.799	10	20	CDCD	
C[C@H]1CN(C)[C@H](C)CN1C(=O)/C=C/c1ccc(O)c(O)c1	779547412	KNBZYLLEMCRSEV-BAEOLTKYSA-N	290.363	1.662	10	20	CDCD	
CN1CCN(c2ccc(CN3CC[C@](C)(O)C3)cc2)CC1	775734228	MYVKIILVJXGMNQ-KRWDZBQOSA-N	289.423	1.395	10	20	CDCD	
CCN(C[C@@H](O)CO[C@@H](C)COC)c1ccc(OC)cc1	773776056	LHIJBSTWIXMBJL-DZGCQCFKSA-N	297.395	1.934	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CC[C@H](O)[C@@H]2CCCC[C@H]21	871200139	NICVLAZLZLKFLX-RTXFEEFZSA-N	291.347	1.863	10	20	CDCD	
CN(Cc1ccc(N2CCC(O)CC2)cc1)C1(CO)CC1	877642362	WAXZJPPFUZNYTP-UHFFFAOYSA-N	290.407	1.604	10	20	CDCD	
COC(=O)c1cc(CNCc2ccc(OC)cc2O)on1	877494690	ZDJAAOXCNMOONP-UHFFFAOYSA-N	292.291	1.465	10	20	CDCD	
CC[C@@H](CCO)NCc1ccc(N2CCC(O)CC2)cc1	877055901	RYVYXFDPNUPKQV-HNNXBMFYSA-N	292.423	1.898	10	20	CDCD	
COc1ccc(O)c(CNC(=O)NCc2cccnn2)c1	770618749	NJQYVKVFIYTDNC-UHFFFAOYSA-N	288.307	1.190	10	20	CDCD	
Oc1c(F)cc(F)cc1CNCCOC[C@@H]1CCOC1	882991165	NXRVEGQCXPITFY-SNVBAGLBSA-N	287.306	1.813	10	20	CDCD	
Oc1c(F)cc(F)cc1CNC[C@@H]1CN2CCC[C@H]2CO1	882985471	ZBRWPHKSULXKNF-QWHCGFSZSA-N	298.333	1.623	10	20	CDCD	
C[C@@H](C[C@@H](C)O)NCc1cc([N+](=O)[O-])ccc1O	782977130	BYRGPUZEFNGFMW-DTWKUNHWSA-N	254.286	1.549	10	20	CDCD	
CCOc1cccc(CN2[C@@H](C)[C@H](C)NC(=O)[C@H]2C)c1O	895117309	SOTHHIQFTMHPFF-SDDRHHMPSA-N	292.379	1.888	10	20	CDCD	
COc1cc(C)cc(CN2CC[C@H]([C@@H](C)O)C2)c1O	894432250	XQXBCDDYAPJIKY-NEPJUHHUSA-N	265.353	1.912	10	20	CDCD	
CCOc1cccc(CN2C[C@H]3C[C@@]3(CO)C2)c1O	783734268	KWVWVKHZBHNFTR-DOMZBBRYSA-N	263.337	1.605	10	20	CDCD	
CNC(=O)[C@@H](C)CN(C)Cc1cc(C)cc(OC)c1O	894083512	FNFHPMVIFSYUFE-NSHDSACASA-N	280.368	1.523	10	20	CDCD	
COc1cccc(CNc2cncc3ncnn23)c1O	782946764	CVDFTHAOGWWIOS-UHFFFAOYSA-N	271.280	1.451	10	20	CDCD	
CCN1C(=O)/C(=C\c2cn(CC)nn2)SC1=S	899333288	OFOMFUIUNOSYIW-VMPITWQZSA-N	268.367	1.519	10	20	CDCD	
COc1ccc(CNC(=O)N=c2cc[nH]cc2)c(O)c1	794762228	OSHGLLWWXLQRLJ-UHFFFAOYSA-N	273.292	1.539	10	20	CDCD	
Cc1nnc([C@@H](C)NC(=O)c2cccc(O)c2O)o1	790881913	HHHPKJDUOSUBFG-ZCFIWIBFSA-N	263.253	1.280	10	20	CDCD	
CCNC(=O)[C@H](C)N[C@H](C)c1cc(C)ccc1O	36795327	MIRMYGNTVKUYMZ-MNOVXSKESA-N	250.342	1.876	10	20	CDCD	
N=C1Nc2nc3ccccc3n2[C@H](c2cc(O)ccc2O)N1	1317910484	RFUFEUNTSMMCPH-CYBMUJFWSA-N	295.302	1.944	10	20	CDCD	
CN1CCN(Cc2ccc(N3CCCC3)cc2)[C@H](CN)C1	1326236760	NPHXOHOCWQRTCE-QGZVFWFLSA-N	288.439	1.362	10	20	CDCD	
Nc1ccc(NC(=O)C[C@@H]2C=CS(=O)(=O)C2)cc1	1326584645	XCVFIOFVTKCHBX-VIFPVBQESA-N	266.322	1.156	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N1CCSC[C@H]1CO	1335848209	WXLWDSAPTLWIKA-CJHWANRJSA-N	295.360	1.047	10	20	CDCD	
NC[C@@H]1CCCCN1C(=O)NCc1ccc(N)cc1	1335726417	RNKXNBCSGDKVHI-ZDUSSCGKSA-N	262.357	1.292	10	20	CDCD	
COCCO[C@@H]1C[C@H](CO)CN(Cc2ccc(N)cc2)C1	1334774460	ILBJJZCUUUYWQJ-GOEBONIOSA-N	294.395	1.115	10	20	CDCD	
Cn1cc([C@@H]2C[C@H]2C(=O)NCc2cccc(O)c2O)cn1	1347234759	PQDYDQCQDKSTTK-NWDGAFQWSA-N	287.319	1.251	10	20	CDCD	
O=C(NCc1cc(Cl)ccc1O)NC[C@H]1CCOC1	1347189214	OVVVKFFQPXJEQQ-SECBINFHSA-N	284.743	1.881	10	20	CDCD	
CCn1c([C@@H](C)O)nnc1N(C)Cc1ccccc1O	1520937832	LEFSHGYIQFBKGX-SNVBAGLBSA-N	276.340	1.693	10	20	CDCD	
C[C@@H](NC(=O)c1ccc(-c2nn[nH]n2)o1)c1ccccc1O	1605404665	QVRKCWGWPJACIH-MRVPVSSYSA-N	299.290	1.656	10	20	CDCD	
O=C(O)c1cncnc1NCCc1ccc(O)c(O)c1	1608983805	DJLGQCYMQWQHPO-UHFFFAOYSA-N	275.264	1.241	10	20	CDCD	
Nc1ccc(CNC(=O)N[C@@H]2CCC[C@H]2CC(=O)O)cc1	1601215499	BLFSCOVKGZZHLH-WCQYABFASA-N	291.351	1.711	10	20	CDCD	
COc1cccc(CN2C[C@H](C)O[C@H](C(=O)O)C2)c1O	1599674213	JLXOIIGCSRGRJN-CABZTGNLSA-N	281.308	1.075	10	20	CDCD	
Cc1ccc(O)c(CNCc2cc(C(=O)O)nn2C)c1	1594373376	WIJUFSHIERNDGV-UHFFFAOYSA-N	275.308	1.422	10	20	CDCD	
CC(C)(N)C(=O)NCCCSc1nccs1	160058863	SDWORZPXHNDOTL-UHFFFAOYSA-N	259.400	1.479	10	20	CDCD	
O=C1NCCC[C@H]1CN[C@H]1CCc2cccc(O)c21	840826814	WJMULGDGIFOMGZ-RYUDHWBXSA-N	260.337	1.495	10	20	CDCD	
COc1ccc(O)c([C@@H](C)N[C@H](C)C(=O)NC(C)C)c1	228930268	OFNGBIHDBFKCBL-GHMZBOCLSA-N	280.368	1.965	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2C[C@@H](O)C[C@H]2C)c1O	384999773	IXSMPHHVMVOUGD-PELKAZGASA-N	267.300	1.689	10	20	CDCD	
CC(=O)c1cc(F)cc(CN(C)C[C@@H](C)O)c1O	51839016	SCDUNPCUAFXJGI-MRVPVSSYSA-N	255.289	1.547	10	20	CDCD	
CC(C)(C)S(=O)(=O)CCNCc1ccccc1O	113345161	FRZKIMAOHYAECF-UHFFFAOYSA-N	271.382	1.695	10	20	CDCD	
O=[N+]([O-])c1cc(Cl)cc(CNC2(CO)CCC2)c1O	178637418	OSVBVDJRFQXLDF-UHFFFAOYSA-N	286.715	1.958	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H](O)c1ccccc1	36421995	RVVYAMZDPNZUCJ-MNDMWVCDSA-N	299.326	1.961	10	20	CDCD	
C[C@](NC(=O)Cc1ccc(N)cc1)(C(=O)O)c1ccccc1	315658809	URXIYWZPLRTSBI-QGZVFWFLSA-N	298.342	1.928	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccccn1	183425803	BUPKIBCBGYDMKU-SNVBAGLBSA-N	272.304	1.854	10	20	CDCD	
CC(C)(C)NC(=O)CCNCc1cc2c(cc1O)OCO2	134591915	HUSITBYGWUVJLG-UHFFFAOYSA-N	294.351	1.515	10	20	CDCD	
COc1cc(O)c(CNCCCCCO)cc1OC	193161408	DFXJZTXZYBYXAY-UHFFFAOYSA-N	269.341	1.662	10	20	CDCD	
Oc1ccc(F)cc1CN1CC[C@H]2CC[C@@H](C1)N2	220318389	IIMQHHHFGHSVAB-OLZOCXBDSA-N	250.317	1.858	10	20	CDCD	
Cc1cc(NS(=O)(=O)N(C)C(C)C)ccc1O	148630262	DOTXSOZBPNXTDP-UHFFFAOYSA-N	258.343	1.698	10	20	CDCD	
C[C@H](C(=O)NCCc1ccc(O)c(O)c1)n1cccn1	269140979	FTULCIYKHCAEBA-SNVBAGLBSA-N	275.308	1.214	10	20	CDCD	
CCNC(=O)NC1(C(=O)Nc2ccc(N)cc2)CCCC1	269139301	UKTMBJUHJXVWMA-UHFFFAOYSA-N	290.367	1.839	10	20	CDCD	
COc1cc(N(C)Cc2nnc[nH]2)c([N+](=O)[O-])cc1OC	279130785	RAHXBFNLKLKSNE-UHFFFAOYSA-N	293.283	1.367	10	20	CDCD	
COc1ccc(N2CCC(NCCN(C)C)CC2)cc1	365122602	DVQWTNSUDIQBNU-UHFFFAOYSA-N	277.412	1.815	10	20	CDCD	
C[C@@H](O)CCCNC(=O)/C=C/c1ccc(O)c(O)c1	279189344	UBMAGZNSTYMPTR-BREXMAIKSA-N	265.309	1.388	10	20	CDCD	
CNC(=O)CCCC(=O)N(C)Cc1ccccc1O	272589748	CEIQULJYSWQZQL-UHFFFAOYSA-N	264.325	1.267	10	20	CDCD	
C[C@@H]1CC(=O)NCCN1Cc1ccc(N(C)C)cc1	373237193	OPZJMPQWXCIMFU-GFCCVEGCSA-N	261.369	1.463	10	20	CDCD	
CC1(C)[C@H](NC(=O)c2c(F)ccc(O)c2O)[C@H]2CCO[C@H]21	276511589	BIBPEWJMLXZSCI-KEMBBXRSSA-N	295.310	1.780	10	20	CDCD	
CC(=O)C(=O)CN1C(=O)N[C@@](CCC(C)C)(C2CC2)C1=O	289660346	OJQXKOYZWWXCNN-HNNXBMFYSA-N	294.351	1.281	10	20	CDCD	
CCCNS(=O)(=O)NCc1ccc(N(C)C)c(F)c1	293182516	DEWUHRHFRYVYII-UHFFFAOYSA-N	289.376	1.226	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)c1ccc([N+](=O)[O-])n1C	395027058	DINNMENFEHLRQO-UHFFFAOYSA-N	289.291	1.911	10	20	CDCD	
COC(=O)[C@H](CSc1ncc(Cl)s1)NC(C)=O	804710979	APSOAKNHQJXSJN-LURJTMIESA-N	294.785	1.566	10	20	CDCD	
CC[C@H](NC[C@H]1CNCCCO1)c1ccc(F)cc1O	817982456	SPCCGDCMNMWMRR-OCCSQVGLSA-N	282.359	1.951	10	20	CDCD	
C[C@H](NCCCc1cnn(C)n1)c1ccc(F)cc1O	815640342	VMATVCBUHBLANL-JTQLQIEISA-N	278.331	1.943	10	20	CDCD	
C[C@H](CC(=O)NCc1ccc(O)c(O)c1)n1cccn1	819398669	OMNNKKSSGHTUOE-SNVBAGLBSA-N	275.308	1.562	10	20	CDCD	
CC[C@H](NCCNCCOC)c1ccccc1O	817964792	IYYCRTZDRMPIPG-ZDUSSCGKSA-N	252.358	1.669	10	20	CDCD	
Oc1cccc2c1[C@@H](NCCCN1CCNCC1)CC2	817935587	JFFRRUHZARYGAP-AWEZNQCLSA-N	275.396	1.264	10	20	CDCD	
CCN1CCCN(C(=O)c2cc(O)cs2)CC1	826904107	WEVBOIIKKAIARY-UHFFFAOYSA-N	254.355	1.622	10	20	CDCD	
CCOC(=O)CN(CCCOC)Cc1ccccc1O	823575764	AZXGXUJYPDLWFK-UHFFFAOYSA-N	281.352	1.794	10	20	CDCD	
COc1cccc(O)c1CN[C@@H]1CCCN(CCCO)C1	824583997	UQZMSVYFTTVUKT-CYBMUJFWSA-N	294.395	1.337	10	20	CDCD	
C[C@H](N)CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	829003744	PWRROVDAHJQGOL-GXTWGEPZSA-N	292.379	1.637	10	20	CDCD	
COc1ncc(/C=C\C(=O)N(C)c2ccccn2)cn1	492654816	UAERGDAEOUQPFA-SREVYHEPSA-N	270.292	1.556	10	20	CDCD	
Cn1cnc(/C=C\C(=O)N2C[C@H](CO)Cc3ccccc32)c1	820019808	PKXXQXBPALGPKN-FMFIFOJESA-N	297.358	1.631	10	20	CDCD	
CCC(=O)C1(C(=O)NCCc2ccc(O)c(O)c2)CC1	827085043	KEPIZYAXDPGUJG-UHFFFAOYSA-N	277.320	1.516	10	20	CDCD	
C[C@@H](O)[C@H]1CCCCN1C(=O)c1cc(O)cs1	831732430	JLQXZADCNHXZFF-PSASIEDQSA-N	255.339	1.829	10	20	CDCD	
O=S(=O)(Nc1ccc(O)c(F)c1F)N1CCCCC1	830184552	JADNNCOHRHEEKD-UHFFFAOYSA-N	292.307	1.813	10	20	CDCD	
CN(C)c1ccc([C@H](N)CNC[C@@H]2CCCOC2)cc1	841046240	YHWWJTOMGYWWJN-XJKSGUPXSA-N	277.412	1.769	10	20	CDCD	
CCc1cccc(CN[C@@H]2C(=O)NCC[C@H]2C)c1O	848909681	ZIWBKSJIWOKAHD-MFKMUULPSA-N	262.353	1.569	10	20	CDCD	
O=C(NCc1ccncc1)NCc1ccccc1O	748462632	GBDBLLUBMLCBAL-UHFFFAOYSA-N	257.293	1.787	10	20	CDCD	
COC(=O)[C@@H]1CN(Cc2ccc(N(C)C)cc2)C[C@H](C)O1	844421896	YMVIIUYEXLVDAH-WFASDCNBSA-N	292.379	1.515	10	20	CDCD	
COc1cccc(CN[C@@H](C)[C@H]2CCCNC2)c1O	841033450	NXQSJRFEKCIZPJ-RYUDHWBXSA-N	264.369	1.879	10	20	CDCD	
CO[C@@H](CC(C)C)C(=O)NCc1ccc(O)cc1O	910944957	QFDYOHJIVATHFM-ZDUSSCGKSA-N	267.325	1.775	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H](CO)CCF)c1O	846099009	WQIUBOWVUGVJPU-SECBINFHSA-N	288.275	1.119	10	20	CDCD	
COC[C@]1(CNCc2cc(Cl)ccc2O)CCCN1	841066600	DDVCDBHGRBZFLT-CQSZACIVSA-N	284.787	1.904	10	20	CDCD	
COc1cccc([C@H](C)NC[C@@H](CO)[C@H]2CCOC2)c1O	846166587	AKAORRAZTRXVBF-AVGNSLFASA-N	295.379	1.696	10	20	CDCD	
CCOc1ccc(CN2C[C@H](C)N[C@@H](C)C2)c(O)c1	843049389	MSGUXAIAVPTENW-RYUDHWBXSA-N	264.369	1.973	10	20	CDCD	
COc1cc(CN2CCO[C@@H](CF)C2)c(O)cc1C	840171768	IGNOLNUAQMPBJJ-LBPRGKRZSA-N	269.316	1.880	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@H]2CCC(=O)C2)cc1	843757615	WIKQIIYBPXNNGH-LBPRGKRZSA-N	260.337	1.738	10	20	CDCD	
CC(=O)[C@H]1CCCCN1C(=O)c1ccc(C)c(O)c1O	854725304	IULRHVANELQYRT-GFCCVEGCSA-N	277.320	1.990	10	20	CDCD	
CCOc1ccc(CN2CCC[C@H](CC(N)=O)C2)c(O)c1	769524316	LHXGWJQYSZIFEU-GFCCVEGCSA-N	292.379	1.878	10	20	CDCD	
CN(C)c1ccc(CNC(=O)C2(F)CCOCC2)cc1	864573099	GBPSJYQVEHRMDB-UHFFFAOYSA-N	280.343	1.888	10	20	CDCD	
COc1cc(O)c(CN2CCSC[C@H]2CO)cc1OC	877779404	CJBQYLSSTYRUEI-LLVKDONJSA-N	299.392	1.319	10	20	CDCD	
CN(C)c1ccc(CN2C(=O)N[C@@](C)(C3CC3)C2=O)cc1	777557093	DKMNRQLAZFHYAR-INIZCTEOSA-N	287.363	1.973	10	20	CDCD	
CC1(O)CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1	779531880	KUUXSQWECJRLAT-HWKANZROSA-N	277.320	1.484	10	20	CDCD	
O=C(COC(=O)[C@H]1CCCOC1)c1ccc(O)c(O)c1	783440209	VKZIUFAIEYNTBI-JTQLQIEISA-N	280.276	1.250	10	20	CDCD	
CO[C@H]1CN(Cc2c(O)cccc2Cl)CCO1	895967922	FQUFWZPDGRTWIC-GFCCVEGCSA-N	257.717	1.850	10	20	CDCD	
O=C(CCc1cnc[nH]1)NCCc1ccc(O)c(O)c1	788667597	HHAMOMBPTRXKSW-UHFFFAOYSA-N	275.308	1.112	10	20	CDCD	
C[C@@H](OC[C@@H]1CCCO1)C(=O)Nc1ccc(N)cc1	19278122	OQWSANZPYKPZGK-MFKMUULPSA-N	264.325	1.791	10	20	CDCD	
CCO[C@H]1COCC[C@H]1NCc1ccc2c(c1)CCO2	759171824	ASDCTSZDTGGGAE-ZBFHGGJFSA-N	277.364	1.905	10	20	CDCD	
CS[C@H](C)CNC(=O)NCc1ccc(N)cc1	1336862716	DBYPZAOTAGCMFO-SECBINFHSA-N	253.371	1.820	10	20	CDCD	
Nc1ccc(CN2CCS(=O)(=O)[C@@H]3CCCC[C@@H]32)cc1	1262488271	WPPHSGRWQPXZQC-LSDHHAIUSA-N	294.420	1.810	10	20	CDCD	
O=C(O)[C@H](CF)NCc1ccc2c(c1)CCCO2	1608532174	AWGLQZFOQFVHKK-NSHDSACASA-N	253.273	1.524	10	20	CDCD	
C[C@@H](NCc1cc(Cl)cc(Cl)c1O)C(N)=O	35793234	JTHBOSBVZMNQNB-RXMQYKEDSA-N	263.124	1.662	10	20	CDCD	
Oc1cccc(Br)c1CN[C@H]1[C@@H]2C[C@@H]1CN2	1580888696	WAOQXFWQHZSSCT-INNHCVQGSA-N	283.169	1.605	10	20	CDCD	
Nc1ccc(CC(=O)N2CCC(Cn3cccn3)CC2)cc1	168205363	APMHOAABTKNFCH-UHFFFAOYSA-N	298.390	1.947	10	20	CDCD	
COc1ccc(O)c([C@H](C)N[C@H](C)C[S@@](C)=O)c1	168868071	CRCXFTRKWGOHBI-JJQCHNSYSA-N	271.382	1.818	10	20	CDCD	
CN(C)[C@@H]1CCC[C@@H](NC(=O)Cc2ccc(N)cc2)C1	237183153	HFKGUCRECHNYPZ-HUUCEWRRSA-N	275.396	1.800	10	20	CDCD	
CC(C)N1CCC(NC(=O)Cc2ccc(N)cc2)CC1	37041688	RCWNOUUSTAXRBZ-UHFFFAOYSA-N	275.396	1.800	10	20	CDCD	
COC(=O)N(C)CCNCc1cccc(C)c1O	701612534	FLZJGWNBRZIEMO-UHFFFAOYSA-N	252.314	1.488	10	20	CDCD	
CNC(=O)C[C@@H](C)N[C@@H](C)c1cc(OC)ccc1O	323023550	JYROOYWIVXOYGO-ZJUUUORDSA-N	266.341	1.576	10	20	CDCD	
COc1cccc(CN2CCN[C@@H](C)[C@H]2C)c1O	379438478	OYLMKRJSPPKESP-WDEREUQCSA-N	250.342	1.583	10	20	CDCD	
Cc1nc([C@H](C)NCc2cc(F)ccc2O)n[nH]1	392446147	DYFRIIJMBQZSJX-ZETCQYMHSA-N	250.277	1.809	10	20	CDCD	
CC(C)(O)CCNCc1ccc(N2CCOCC2)cc1	380352738	YSGOJVBVGUOPJE-UHFFFAOYSA-N	278.396	1.774	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NC2(CO)CCC2)cc1	178426931	NOHFMOUIOSIAFV-UHFFFAOYSA-N	277.368	1.467	10	20	CDCD	
CC(=O)c1cc(Cl)cc(CN2CC[C@@H](N)C2)c1O	50242238	WUAWORXGYKYYEL-LLVKDONJSA-N	268.744	1.781	10	20	CDCD	
O[C@@H](CNCc1ccc2c(c1)CCO2)c1ccccn1	853099183	SHMMHLPVPSDTAB-HNNXBMFYSA-N	270.332	1.840	10	20	CDCD	
O=C(Cc1ccn[nH]1)NCc1ccc(N2CCCC2)cc1	172684859	TZCGSUHZPSEKHO-UHFFFAOYSA-N	284.363	1.869	10	20	CDCD	
CN(CC(=O)N1CCOCC1)Cc1cccc(Cl)c1O	179587089	CEEJTZPVEWWBIW-UHFFFAOYSA-N	298.770	1.336	10	20	CDCD	
COc1ccc(N2CCC(NC(=O)CN(C)C)CC2)cc1	170763404	VJZDKVSRLACOMK-UHFFFAOYSA-N	291.395	1.342	10	20	CDCD	
Cc1ccc(C(=O)Nc2c(C)n[nH]c2C)c(O)c1O	179434083	QZKGGGUODVANPL-UHFFFAOYSA-N	261.281	1.998	10	20	CDCD	
c1cnc(NCc2ccc(N3CCOCC3)cc2)nc1	64931099	BIKZYKCINLLKMR-UHFFFAOYSA-N	270.336	1.925	10	20	CDCD	
COc1ccc(CNC[C@@H]2COCCO2)cc1C	37998248	ZOEYCTNLLNVENG-CYBMUJFWSA-N	251.326	1.509	10	20	CDCD	
CCC[C@H](CCO)CNC(=O)c1ccc(C)c(O)c1O	182812063	VYUWNDQMPMHARK-LLVKDONJSA-N	281.352	1.935	10	20	CDCD	
COc1ccc(O)c(CN2CCC[C@@H]2C(=O)O)c1	86726798	IQPLHEKMHCSGPG-LLVKDONJSA-N	251.282	1.450	10	20	CDCD	
CC(=O)NCCCNC(=O)N(C)Cc1ccccc1O	193857814	NDIXNGINIOUUCP-UHFFFAOYSA-N	279.340	1.060	10	20	CDCD	
CCS(=O)(=O)NCc1ccc(N2CCCC2)cc1	48904985	PRWFMSGPDWELHT-UHFFFAOYSA-N	268.382	1.726	10	20	CDCD	
CS(=O)(=O)CCSc1ncc([N+](=O)[O-])s1	192452149	QLLCKZTWDUIXQZ-UHFFFAOYSA-N	268.341	1.188	10	20	CDCD	
CO[C@H](CNC(=O)Cc1ccc(N)cc1)C(C)(C)C	237196682	BEQYSCARAZQGSZ-CYBMUJFWSA-N	264.369	1.989	10	20	CDCD	
CO[C@H](C)CCNC(=O)NCc1ccc(N(C)C)cc1	263817914	PEFMQQBJBAVXNN-GFCCVEGCSA-N	279.384	1.977	10	20	CDCD	
Cc1cc(C)c([C@H](C)NC[C@H]2COCCN2)c(O)c1	530227347	SJNCFQKQEUBDPI-STQMWFEESA-N	264.369	1.648	10	20	CDCD	
C[C@H]1CN(CCCNCc2ccccc2O)CCCO1	277950989	RMFTWJYSVYSYDR-AWEZNQCLSA-N	278.396	1.983	10	20	CDCD	
C[C@@H]1NC(=O)N(Cc2ccc(N(C)C)c(F)c2)C1=O	272395405	KDHXICASDOZVRT-QMMMGPOBSA-N	265.288	1.332	10	20	CDCD	
Oc1c(Cl)cccc1CNCCN1CCCOCC1	289178049	AETANFGBGQOZLI-UHFFFAOYSA-N	284.787	1.858	10	20	CDCD	
COc1ccc(N2CCN(C(=O)[C@H]3CC3(F)F)CC2)cc1	294312551	JICWJCTXLVEBNX-CYBMUJFWSA-N	296.317	1.999	10	20	CDCD	
CC(=O)C(=O)CSc1nncn1-c1ccccc1	808012808	WEMGXAZEEIDWPZ-UHFFFAOYSA-N	261.306	1.518	10	20	CDCD	
CN(C)CCN(CCN(C)C)Cc1cccc(Cl)c1O	809741297	MERQOITVJJTPMI-UHFFFAOYSA-N	299.846	1.971	10	20	CDCD	
CCOc1ccc(O)c(CNCCN2CCC(O)CC2)c1	294924800	UCPISCAHJVNKPH-UHFFFAOYSA-N	294.395	1.337	10	20	CDCD	
Cc1ccc2c(c1)/C(=C/c1cn(C)nn1)C(=O)N2C	811701424	WDUYMSZUGBOWAO-GHXNOFRVSA-N	254.293	1.641	10	20	CDCD	
O=C1CCCN1C[C@@H]1CCN(Cc2cc(F)ccc2O)C1	827634624	WMXJYGDVORLXRP-GFCCVEGCSA-N	292.354	1.976	10	20	CDCD	
CCCN[C@H](C)C(=O)N(C)Cc1ccccc1O	827210548	UPVRFFFOOJUJSW-LLVKDONJSA-N	250.342	1.739	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@@]2(C)CCNC2)c1	828666193	BOVFGMVJAZILBK-BMIGLBTASA-N	278.352	1.578	10	20	CDCD	
COc1ccc(N2CCN(C[C@@H]3COCCO3)CC2)cc1	827309967	IYMYBYSDHWQVBD-MRXNPFEDSA-N	292.379	1.233	10	20	CDCD	
CCS(=O)(=O)CCNCc1cc(Cl)c(C)cc1O	825205459	PIDYGGCHFBATTP-UHFFFAOYSA-N	291.800	1.878	10	20	CDCD	
COc1ccc(CNC(=O)C[C@@H]2CCCN2)c(O)c1	832178029	LAUSWFYUYANZPV-NSHDSACASA-N	264.325	1.159	10	20	CDCD	
C[C@H](C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1)C1CC1	832267452	SDMAHWIOOBWACZ-XHDPSFHLSA-N	275.396	1.915	10	20	CDCD	
C[C@@]1(CN[C@@H]2CCc3cccc(O)c32)CCC(=O)N1	834907708	AJOLTMVIWJCHJA-ABAIWWIYSA-N	260.337	1.638	10	20	CDCD	
C[C@@H](CCN)NCc1cc(Br)ccc1O	841052501	ZJFIPDCKHLROCH-QMMMGPOBSA-N	273.174	1.982	10	20	CDCD	
COc1ccc(N2CCN(C[C@@H]3CCCN3)CC2)cc1F	843119119	DPSGLHRVNSLRND-ZDUSSCGKSA-N	293.386	1.708	10	20	CDCD	
CCc1cccc(CNC[C@@H](O)CN2CCCC2)c1O	848895779	XPPZAGSANASRFB-OAHLLOKOSA-N	278.396	1.501	10	20	CDCD	
CCc1cccc(CNC[C@]2(C)CCC(=O)N2)c1O	848914751	NHGMXRSCQZLFSS-HNNXBMFYSA-N	262.353	1.713	10	20	CDCD	
Oc1ccc(Br)cc1CN[C@H]1CCNC1	841044782	HPJLJUJMMDFWOR-JTQLQIEISA-N	271.158	1.606	10	20	CDCD	
COc1ccc(O)c(CNC(=S)NC[C@@H]2CCOC2)c1	749707280	RBLQUHSPRPENLX-JTQLQIEISA-N	296.392	1.401	10	20	CDCD	
Cc1cc(Br)c(O)c(CN[C@@H]2CCNC2)c1	841044726	GQEICWUGQOZQAR-SNVBAGLBSA-N	285.185	1.915	10	20	CDCD	
COCCOCCN[C@@H](C)c1cc(F)cc(F)c1O	756456543	CSUSLXCDKLCGCZ-VIFPVBQESA-N	275.295	1.984	10	20	CDCD	
C[C@H]1CC[C@H](COC(=O)c2cccc(O)c2O)O1	758557467	BAJSBPIQLNAKKD-DTWKUNHWSA-N	252.266	1.822	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N1C[C@H]2CC[C@@H](O)[C@H]2C1	924016397	IWVRTRMTDUJOTM-SCILVKRQSA-N	289.331	1.340	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)N[C@H](C)CCN(C)C)c1	858280787	DGSYSZWVYNJPAK-GFCCVEGCSA-N	279.384	1.840	10	20	CDCD	
CCCCCC[C@@H](C)NC=C1C(=O)N(C)C(=O)N(C)C1=O	920976665	OAQATFZQIQJLJJ-LLVKDONJSA-N	295.383	1.869	10	20	CDCD	
CON(C)C(=O)[C@@H](C)N[C@H](C)c1cc(F)cc(F)c1O	858586808	HEHGYYCQPNOJTB-HTQZYQBOSA-N	288.294	1.729	10	20	CDCD	
CC[S@@](C)(=O)=NC(=O)/C=C/c1ccc(O)c(O)c1	925833884	LJSZZWZJJCNUAY-SUQGKYDKSA-N	269.322	1.755	10	20	CDCD	
C=CC(=O)N(C)CC(=O)N[C@H](C)c1cc(OC)ccc1O	860242422	QTGNTAQVMZNUJA-SNVBAGLBSA-N	292.335	1.222	10	20	CDCD	
COCCN1CCN(Cc2c(C)cccc2O)CC1	876555898	FGSGLKLMJZYWBF-UHFFFAOYSA-N	264.369	1.465	10	20	CDCD	
C[C@@H](NC(=O)[C@]1(N)CC1(F)F)c1ccccc1O	870988393	OIWYTIINQVOHKG-RDDDGLTNSA-N	256.252	1.306	10	20	CDCD	
COCC[C@@](C)(O)CNCc1c(C)cccc1O	877034483	IOGHEGCDEDTGHP-CQSZACIVSA-N	253.342	1.578	10	20	CDCD	
CCCNC(=O)[C@@H](C)OC(=O)/C=C/c1ccc(O)c(O)c1	772773006	AJNGMDJSFPBIHW-BREXMAIKSA-N	293.319	1.569	10	20	CDCD	
CC[C@H]1NCC[C@@H]1C(=O)N[C@H](C)c1ccccc1O	870988710	XNGDEOATOKECQJ-KGYLQXTDSA-N	262.353	1.958	10	20	CDCD	
Cc1cc(NC(=O)CN[C@H](C)c2ccccc2O)no1	879649694	SSYWEAADMDXLRK-SNVBAGLBSA-N	275.308	1.978	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@H]2C[C@@H](O)C2)cc1F	874250964	COTYFRAZPPRVDK-PHIMTYICSA-N	266.316	1.279	10	20	CDCD	
C[C@@H](NC(=O)[C@@]1(F)CCNC1)c1ccccc1O	870988702	XLSFQFGZUPVCFZ-NOZJJQNGSA-N	252.289	1.271	10	20	CDCD	
CN(Cc1ncc[nH]1)C(=O)NCc1ccc(N(C)C)cc1	875017244	WVPDAMVCCMEYHS-UHFFFAOYSA-N	287.367	1.817	10	20	CDCD	
C[C@@H]1CCN1C(=O)C(=O)NCc1ccc(N(C)C)c(F)c1	1119436952	KXMYQHZGDKIGEG-SNVBAGLBSA-N	293.342	1.129	10	20	CDCD	
Cc1cc(CNC(=O)/C=C/c2ccc(O)c(O)c2)ncn1	779541171	GCUXEZRXHKTVSJ-HWKANZROSA-N	285.303	1.526	10	20	CDCD	
Cc1cc(C(=O)NCC2(N)CC2)c(C)n1-c1ccccn1	1122262794	XPEIIGAUHNJLGH-UHFFFAOYSA-N	284.363	1.710	10	20	CDCD	
CO[C@]1(C(=O)NCc2ccc(N(C)C)cc2)CCSC1	887767768	WNWPVBDCTHOFGU-OAHLLOKOSA-N	294.420	1.891	10	20	CDCD	
CC(C)(C)C[C@H](CO)NC(=O)NCc1ccc(N)cc1	1120591677	FMVRCILIUOAVAT-CYBMUJFWSA-N	279.384	1.865	10	20	CDCD	
COc1ccc(CNCCNC(=O)[C@@H]2C[C@@H]2C)cc1C	1122927738	FKAVDPJJRRWPKD-SMDDNHRTSA-N	276.380	1.865	10	20	CDCD	
C[C@@H]1C[C@@H](O)CN1C(=O)/C=C/c1ccc(O)c(O)c1	788550711	SGPBAIJMICUMFA-DREQKGALSA-N	263.293	1.093	10	20	CDCD	
COc1ccc(CNCCn2cccn2)c(O)c1OC	892659945	NWKBLNGGDYPINX-UHFFFAOYSA-N	277.324	1.396	10	20	CDCD	
COc1ccc(CN2CCN(C)[C@@H](C)[C@@H]2C)c(O)c1OC	893668985	JGGHFSJALJQDCU-RYUDHWBXSA-N	294.395	1.934	10	20	CDCD	
Cc1cc(O)c(CN[C@@H]2C(=O)NCC2(C)C)cc1C	895315663	IOJMQCHKHGHLCU-CYBMUJFWSA-N	262.353	1.623	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NOC/C=C/Cl	794291416	TZDKEEIUZRODNX-ZHPPZSSHSA-N	269.684	1.911	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NOCC(F)F)cc1F	793184706	FYVFNQOZSYTHEY-UHFFFAOYSA-N	291.273	1.888	10	20	CDCD	
Cc1nc(C(=O)C(=O)c2ccc3ncnn3c2)ccc1F	91302127	MFTZELWHZKKYQF-UHFFFAOYSA-N	284.250	1.637	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)CCc2cn(C)nc2C)c1	1329643861	DTFWZIDWFANZMK-UHFFFAOYSA-N	287.363	1.992	10	20	CDCD	
O=C(CO[C@H]1CCOC1)NCc1cc(Cl)ccc1O	1329746743	UQWREIAYLSARQI-NSHDSACASA-N	285.727	1.467	10	20	CDCD	
Cc1cc(C(=O)NCCc2ccc(N)cc2)n(C)n1	90120590	RAHXXKHLCNVKCW-UHFFFAOYSA-N	258.325	1.283	10	20	CDCD	
CC[C@@H](C(=O)NCc1ccc(N)cc1)N1CCCC1=O	1343472630	JLKNEWIPTQRPMX-ZDUSSCGKSA-N	275.352	1.286	10	20	CDCD	
CN(C(=O)[C@@H](c1cncn1C)N(C)C)c1ccc(N)cc1	1522215745	FUQZLXFVIJKBKP-CQSZACIVSA-N	287.367	1.268	10	20	CDCD	
CC(C)(C)[C@H](N)C(=O)NCc1cc(O)ccc1O	1575262569	GLUWEGQKMHSCJN-LLVKDONJSA-N	252.314	1.087	10	20	CDCD	
CCc1cccc(CNC2CCN(CC(=O)O)CC2)c1O	1593642532	SBTFJTWSLXCIRN-UHFFFAOYSA-N	292.379	1.593	10	20	CDCD	
CCN1CCCc2cc(CN[C@@H](C(=O)O)[C@@H](C)O)ccc21	1776875368	YXKRLNNLRCXJOE-IAQYHMDHSA-N	292.379	1.383	10	20	CDCD	
O=C(NCC(F)(F)Br)c1cccc(O)c1O	805248354	FMVVHSUMYRWLCY-UHFFFAOYSA-N	296.067	1.815	10	20	CDCD	
Cc1nc(CN(C)C(=O)Cc2ccc(N)cc2)no1	832146103	YGMSZUPCYXVITE-UHFFFAOYSA-N	260.297	1.161	10	20	CDCD	
Cc1noc(CCC(=O)NCc2ccccc2O)n1	299465410	DPLGXUUSUNTTFQ-UHFFFAOYSA-N	261.281	1.333	10	20	CDCD	
C[C@H]1SCC[C@@H]1NC(=O)Cc1ccc(N)cc1	379870642	XLYWKKLFVOGJEI-SKDRFNHKSA-N	250.367	1.822	10	20	CDCD	
CCc1cccc(CNCC2(S(C)(=O)=O)CC2)c1O	691436020	RFVARAYQLDIUIM-UHFFFAOYSA-N	283.393	1.621	10	20	CDCD	
CO[C@]1(CN[C@@H]2CCc3cccc(O)c32)CCOC1	389169747	HUYGDZLWJXOFBT-DOMZBBRYSA-N	263.337	1.775	10	20	CDCD	
CCOCCCC(=O)NCc1cccc(OC)c1O	105651456	SSKHNOCAKWHEJD-UHFFFAOYSA-N	267.325	1.834	10	20	CDCD	
COc1ccc(O)c(CNC(=O)NCc2ccco2)c1	114512499	PUKWDJLMNMMTPV-UHFFFAOYSA-N	276.292	1.993	10	20	CDCD	
CN(Cc1ccc(N2CCOCC2)cc1)[C@@H]1CCOC1=O	127214904	QURKTENFWNTHAW-OAHLLOKOSA-N	290.363	1.271	10	20	CDCD	
CCNC(=O)[C@H](C)NCc1cccc(Cl)c1O	127869030	PAZHWBJHRDYYNZ-QMMMGPOBSA-N	256.733	1.660	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(C#N)c[nH]1	183442135	UOAFRKUKWJBPGQ-SECBINFHSA-N	285.303	1.659	10	20	CDCD	
COC[C@H]1CN(Cc2cccc(OC)c2O)C[C@@H](C)O1	188388258	ONCKMIXZRIMSQN-DGCLKSJQSA-N	281.352	1.637	10	20	CDCD	
Cc1nc(CCNC(=O)Cc2ccc(N)cc2)cs1	82284214	QKTADUMBXAAVKH-UHFFFAOYSA-N	275.377	1.935	10	20	CDCD	
O=S1(=O)CCCN(Cc2cccc(Cl)c2O)CC1	224473063	YGLQFXORBDHGNK-UHFFFAOYSA-N	289.784	1.666	10	20	CDCD	
Cc1ccc(O)c(CN[C@@H](C)c2nnnn2C2CC2)c1	191825427	GYDMGYHOIIPTMB-JTQLQIEISA-N	273.340	1.873	10	20	CDCD	
CCNC(=O)CCCC(=O)NCc1cccc(OC)c1O	264284776	SCHGAFLLWFFDLG-UHFFFAOYSA-N	294.351	1.323	10	20	CDCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N1CCO[C@H]2C[C@@H]21	366172877	SUPKPRZLSKOGFF-HOTGVXAUSA-N	299.374	1.746	10	20	CDCD	
CC(C)(C)OC(=O)C(=O)NCc1ccccc1O	274030147	AWYOOMVEFHEUKC-UHFFFAOYSA-N	251.282	1.350	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)C1SCCS1	272326729	LPTCCECHGOGMRI-UHFFFAOYSA-N	271.363	1.520	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)NC[C@@H]2CCOC2)c1	273433942	WMTZTUYCVAQNLN-MNOVXSKESA-N	279.336	1.866	10	20	CDCD	
CC[C@H](NC[C@H]1CN(C)CCN1C)c1ccc(C)cc1O	280130285	OXYUAJPUBJPOIO-HOCLYGCPSA-N	291.439	1.987	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC[C@H]2CC[C@@H](CO)O2)c1	293802124	VEGJVLPSTCBVHJ-UHTWSYAYSA-N	281.352	1.591	10	20	CDCD	
CCc1nc([C@H](C)NC(=O)c2c(F)ccc(O)c2O)n[nH]1	294785944	AXFVDEATTWZQFG-LURJTMIESA-N	294.286	1.408	10	20	CDCD	
CCN1C[C@H](NCc2ccc(N3CCCC3)cc2)CC1=O	391492845	QHCIZFWDDKAHAZ-OAHLLOKOSA-N	287.407	1.997	10	20	CDCD	
CN1CC(=O)N[C@@H]1c1cc(Br)ccc1O	298776004	HNQZGVGOOUZEBD-JTQLQIEISA-N	271.114	1.215	10	20	CDCD	
OC1(CCNCc2ccc(N3CCOCC3)cc2)CCC1	397644977	UDMNPUHPMVIDKT-UHFFFAOYSA-N	290.407	1.918	10	20	CDCD	
CC[C@H]1CN(C)CCN1Cc1cccc(OC)c1O	816660820	QLASGFKUTFAAPY-ZDUSSCGKSA-N	264.369	1.927	10	20	CDCD	
CSC[C@@H](O)CNCc1ccc(N2CCOCC2)cc1	818972057	CJAUCYFZZZFYMY-HNNXBMFYSA-N	296.436	1.337	10	20	CDCD	
CO[C@H](C)[C@H](C)NC[C@H](N)c1ccc(N(C)C)cc1	817939342	BBWLIELJNBHSMN-ZOWXZIJZSA-N	265.401	1.765	10	20	CDCD	
C[C@@]1(CNCc2c(O)cccc2Cl)CCC(=O)N1	835059567	BYEJWZLQQVNZRS-ZDUSSCGKSA-N	268.744	1.804	10	20	CDCD	
O=C1CC[C@@H]2[C@@H]1[C@@H]2C(=O)NCCCSc1nccs1	906669595	GLGMVZNARGFNRP-DVVUODLYSA-N	296.417	1.967	10	20	CDCD	
CC(C)OC(=O)[C@H](C)NC(=O)/C=C/c1ccc(O)c(O)c1	837027834	PPKRPPUYRFOKRZ-STUBTGCMSA-N	293.319	1.567	10	20	CDCD	
C[C@H](NC(=O)C[C@@H]1CCC(=O)N1)c1ccc(N(C)C)cc1	832431782	UQMVWQXZEFLRBE-AAEUAGOBSA-N	289.379	1.599	10	20	CDCD	
Cc1nccn1CCCNC(=O)c1cc(O)cs1	731870151	DXDATBQMFIVPMI-UHFFFAOYSA-N	265.338	1.779	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1C)[C@H]1CCNC1=O	840942413	KHTJVPRVQOUTLC-HNNXBMFYSA-N	275.396	1.771	10	20	CDCD	
COC(=O)c1cnc(SCC(=O)c2nccn2C)s1	917778812	VMTFLGAZWMPHBE-UHFFFAOYSA-N	297.361	1.638	10	20	CDCD	
O=C(N[C@H]1c2ccccc2C[C@@H]1O)c1cc(O)cs1	748299264	QEQKPJSKMFOBNJ-AAEUAGOBSA-N	275.329	1.842	10	20	CDCD	
CCOCC1(C(=O)NCc2ccc(O)cc2O)CC1	910946980	XWJKIMOGCISAMB-UHFFFAOYSA-N	265.309	1.531	10	20	CDCD	
CCOc1ccc(O)c(CNC2CCNCC2)c1	841026614	LJMVXSCZAUEBGZ-UHFFFAOYSA-N	250.342	1.633	10	20	CDCD	
Oc1ccccc1CN(C[C@H]1CCNC1)C[C@@H]1CCCO1	843356398	MWEBEJLKGJITMZ-HOCLYGCPSA-N	290.407	1.983	10	20	CDCD	
C[C@@H](CO)CCCNC(=O)NCCc1ccc(N)cc1	841869028	UPYGHNZIYUKNFI-GFCCVEGCSA-N	279.384	1.519	10	20	CDCD	
CC[C@@H](N)CNC(=O)N[C@@H](C)c1cc(OC)ccc1O	842005690	JMJOSTDDWSMPPG-VHSXEESVSA-N	281.356	1.498	10	20	CDCD	
CCOc1ccc(O)c(CNCCN2CCCC2=O)c1	846077144	MUXIERHLUODBSC-UHFFFAOYSA-N	278.352	1.503	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2C[C@H](C)N[C@@H](C)C2)c1O	843352143	RAQBLZGUUMBRSV-UWVGGRQHSA-N	280.343	1.916	10	20	CDCD	
Cc1ccc(C(=O)N2C[C@@H](C)[C@](C)(CO)C2)c(O)c1O	856252688	ZUSNCHJZXJEYPG-BMIGLBTASA-N	279.336	1.497	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)N[C@@H](C)CNC	851681473	OKUAXKBCQGGMGT-LBPRGKRZSA-N	279.384	1.922	10	20	CDCD	
COC1CC(C(=O)OCC(=O)c2ccc(O)c(O)c2)C1	859844107	JCIWKKZQHOCPCA-UHFFFAOYSA-N	280.276	1.249	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)OCC[C@@H]1CCOC1=O	759597464	ZSNCKWJQLUMUOP-CJHWANRJSA-N	292.287	1.607	10	20	CDCD	
CCn1cc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)nn1	935461330	AOHJDTBBBMZJES-LLVKDONJSA-N	287.367	1.855	10	20	CDCD	
CCOCC[C@H](O)CN[C@H](C)c1cc(OC)ccc1O	769785330	AIJPVHBMQKCKLZ-NEPJUHHUSA-N	283.368	1.839	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)[C@H](C)NC(=O)OC	761871133	JKFKUEVFSMVKJC-NSHDSACASA-N	294.351	1.875	10	20	CDCD	
Cc1ccc(CNCc2nnc3n2CCC3)c(O)c1	876921873	UPGJLSGOZOBSNR-UHFFFAOYSA-N	258.325	1.528	10	20	CDCD	
CCc1cccc(CN2C[C@H]3C(=O)N(C)C(=O)[C@H]3C2)c1O	877719107	IGEBMZYTMCJIMB-BETUJISGSA-N	288.347	1.001	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCC(O)(C(F)F)CC1	779478633	QMNJFQBXJYODBE-UHFFFAOYSA-N	277.292	1.686	10	20	CDCD	
COCC1(S(=O)(=O)Nc2ccc(O)c(C)c2)CC1	882709744	WRUXSHXUDMKKGD-UHFFFAOYSA-N	271.338	1.621	10	20	CDCD	
COCCOC(=O)N1CCOc2cc(N(C)C)ccc21	885036846	IJVRNARBJRLWMQ-UHFFFAOYSA-N	280.324	1.734	10	20	CDCD	
Cc1ccc(C(=O)NCCOCC(F)(F)F)c(O)c1O	780860582	OQTHLPCJKZGCDI-UHFFFAOYSA-N	293.241	1.715	10	20	CDCD	
COCCONC(=O)NCCCSc1nccs1	789090894	OGYWBVBAIUIXFM-UHFFFAOYSA-N	291.398	1.503	10	20	CDCD	
COc1cc(C)cc(CN[C@@H](CO)CC2CC2)c1O	894358138	CIBKQTSFWMCVRQ-CYBMUJFWSA-N	265.353	1.960	10	20	CDCD	
CO[C@H]1CN(Cc2cccc(Cl)c2O)CCO1	895968893	UKQFZFYIDZVGFF-LLVKDONJSA-N	257.717	1.850	10	20	CDCD	
COc1ccc(CN=c2ccc3ncc[nH]c-3n2)c(O)c1	795285607	SLGASNHXKMXTGY-UHFFFAOYSA-N	282.303	1.725	10	20	CDCD	
Nc1ccc(CN2CCN([C@H]3CCOC3)CC2)cc1	1345159479	HPEKORPOEXBLFF-HNNXBMFYSA-N	261.369	1.175	10	20	CDCD	
OC1CCN(c2ccc(CNC[C@@H]3CCCO3)cc2)CC1	76275567	GKFCPTKWXNBEQA-KRWDZBQOSA-N	290.407	1.916	10	20	CDCD	
CN1C[C@@H](c2nc(Cc3ccc(N)cc3)no2)CC1=O	1327005491	QIDVASXEHHLOCY-JTQLQIEISA-N	272.308	1.188	10	20	CDCD	
C[C@@H](NC[C@]1(O)CCN(C)C1)c1ccc(N(C)C)cc1	702566582	JWVHRPAEGDBOGW-CZUORRHYSA-N	277.412	1.470	10	20	CDCD	
CN(C)c1ccc(CN2CCO[C@@H](CC(=O)O)C2)cc1	91298351	UQXGCOSVAAWHAR-AWEZNQCLSA-N	278.352	1.428	10	20	CDCD	
CCN[C@H](C)CNC(=O)NCc1ccc(N)cc1	1336893701	FTBGVAZPPYIMIJ-SNVBAGLBSA-N	250.346	1.066	10	20	CDCD	
C[C@@H]1CCCN1C(=O)C(=O)NCc1ccc(N(C)C)cc1	1344851912	MAMGASSQYKXJTA-GFCCVEGCSA-N	289.379	1.380	10	20	CDCD	
CO[C@H](C(=O)NCc1cccc(O)c1O)C(C)C	1347233332	IODLUQMYEKVYQY-LBPRGKRZSA-N	253.298	1.385	10	20	CDCD	
N[C@@H]1C[C@H](C(=O)NCCCSc2nccs2)[C@H]2C[C@H]21	1521339568	GYFHRVPFPUTXCU-ZRUFSTJUSA-N	297.449	1.725	10	20	CDCD	
C[C@@H](O)CCN(C)c1ccc(OCC(=O)O)cc1	1604384499	SLWJKGZADQVSQO-SNVBAGLBSA-N	253.298	1.357	10	20	CDCD	
C[C@@H](NC1CC=CC1)c1cccc(-c2nn[nH]n2)c1O	1589953540	DBWMIKCGCWRNGD-SECBINFHSA-N	271.324	1.942	10	20	CDCD	
O=C(Cc1ccc(O)c(O)c1)Nc1ccnc(C(=O)O)c1	1594707990	ZOXQRPVQYOCONH-UHFFFAOYSA-N	288.259	1.372	10	20	CDCD	
O=C(O)C1CN(Cc2c(O)ccc(Cl)c2F)C1	1594951515	LAMOCKMCDBRHGZ-UHFFFAOYSA-N	259.664	1.701	10	20	CDCD	
CC[C@@H](CNCc1cc([N+](=O)[O-])ccc1O)C(=O)O	1776714922	MIFDQBBTNMLOKW-QMMMGPOBSA-N	268.269	1.501	10	20	CDCD	
CN1CCC[C@H](CN(C)C(=O)Cc2ccc(N)cc2)C1	237122653	ZYSMDMASYCLPMA-AWEZNQCLSA-N	275.396	1.612	10	20	CDCD	
Nc1ccc(CC(=O)N2CCO[C@H]3CCCC[C@@H]32)cc1	37815367	GZARIOQZKJRPFU-GJZGRUSLSA-N	274.364	1.981	10	20	CDCD	
COc1cccc(CN[C@H](CO)CC(F)F)c1O	717754987	MHMXNWBTXKELDA-VIFPVBQESA-N	261.268	1.507	10	20	CDCD	
Oc1cc2c(cc1CN1CCC(O)CC1)OCO2	7142049	AQSRXCWEVWJOCB-UHFFFAOYSA-N	251.282	1.078	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)CNC(=O)CC(C)(C)C	54080677	CHKZAQAPKNGIJG-UHFFFAOYSA-N	292.379	1.903	10	20	CDCD	
CC[C@@H](C(=O)NCc1ccc(N(C)C)cc1)N(C)C	124563107	AVGRTOFFAAQUSK-AWEZNQCLSA-N	263.385	1.709	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)C(F)(F)C1(O)CCC1	182516191	BPUACUJQDJEGEH-UHFFFAOYSA-N	287.262	1.264	10	20	CDCD	
C[C@@H](O)CNC(=O)NCc1ccc(N2CCCC2)cc1	47675146	OEIYWVOPNXVDPY-GFCCVEGCSA-N	277.368	1.467	10	20	CDCD	
C[C@H](N)C1CCN(C(=O)Cc2ccc(N)cc2)CC1	178812600	WUDWGQIOZVUCSL-NSHDSACASA-N	261.369	1.397	10	20	CDCD	
CCOc1ccc(N2CCN(CCO)CC2)cc1	49838052	OGFFXELGHMOIDC-UHFFFAOYSA-N	250.342	1.200	10	20	CDCD	
CN(Cc1cc(Br)ccc1O)[C@H]1CCNC1	220106999	XSZIZBAODXDWJC-NSHDSACASA-N	285.185	1.948	10	20	CDCD	
C[C@@H](O)CCN(C)Cc1cc2c(cc1O)OCO2	93481802	LPFPTRNDKMGVTP-SECBINFHSA-N	253.298	1.324	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@H](N)CC(F)F	385592676	IYQQFPJAHTWMCW-SECBINFHSA-N	258.268	1.333	10	20	CDCD	
Cc1c(CNC(=O)CCn2cncn2)n(C)c2ccccc12	352128301	CHQJKJNOHVVMPV-UHFFFAOYSA-N	297.362	1.785	10	20	CDCD	
Cc1ccc(C(=O)N2CCC[C@@H](N(C)C)CC2)c(O)c1O	277121567	FPDJAEMQBCNAGD-GFCCVEGCSA-N	292.379	1.963	10	20	CDCD	
COC[C@H]1CCN(C(=O)c2c(F)ccc(O)c2O)C1	276511651	BIKFNCRIUZJWSH-QMMMGPOBSA-N	269.272	1.345	10	20	CDCD	
O=C1NC2(CC2)C(=O)N1Cc1ccc(N2CCCC2)cc1	272208804	GHNCDKABZSFUGU-UHFFFAOYSA-N	285.347	1.871	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2CC[C@@H]([C@H](C)O)C2)c1O	278493253	LVJXPPUCEBUEJT-VHSXEESVSA-N	296.323	1.512	10	20	CDCD	
COCC[C@@H]1NC(=O)N(Cc2ccc(N(C)C)cc2)C1=O	285841380	HANKYQSQUYHJOV-ZDUSSCGKSA-N	291.351	1.210	10	20	CDCD	
C[C@H](OC(=O)/C=C\c1ccc(O)c(O)c1)c1nncn1C	805508832	NWBPVQRBHSVFBF-RNEXMXFGSA-N	289.291	1.544	10	20	CDCD	
CCCCN1CC(=O)N[C@H]1c1cc(O)c(O)c(OC)c1	298771013	DUAODGPGIQEFAX-CQSZACIVSA-N	280.324	1.337	10	20	CDCD	
CCC[C@@H](CCO)CNC(=O)c1c(F)ccc(O)c1O	295421415	VXXMSTPLFKDQCC-VIFPVBQESA-N	285.315	1.765	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[C@H](CO)CC1	294719493	YNULTIHYGVFPIF-BPJJOFIESA-N	291.347	1.732	10	20	CDCD	
Oc1ccc(Cl)cc1CN[C@H]1CCc2nnnn2CC1	817419100	PBGMNRUMDZXLJG-NSHDSACASA-N	293.758	1.527	10	20	CDCD	
COCCc1noc(COc2ccc(N(C)C)cc2)n1	810002281	WHWGCZAJQSBUMM-UHFFFAOYSA-N	277.324	1.904	10	20	CDCD	
O=C(CCNCc1ccccc1O)Nc1ccccn1	725849263	YAKJJIDLKZAEBF-UHFFFAOYSA-N	271.320	1.906	10	20	CDCD	
COc1ccc(O)c(CNC(=O)CCc2ncccn2)c1	812509420	NZSLOPPAJJWERL-UHFFFAOYSA-N	287.319	1.440	10	20	CDCD	
COC(=O)[C@H]1C[C@H](NCc2ccc(N(C)C)c(F)c2)C1	827812146	DPFVAIOEVJGQQA-HAQNSBGRSA-N	280.343	1.933	10	20	CDCD	
O=C(NCCOC[C@H]1CCOC1)c1c(F)ccc(O)c1O	825791686	SNDXEGMRPAFUQK-VIFPVBQESA-N	299.298	1.020	10	20	CDCD	
Cc1cc(O)c(CN2CCN3C(=O)NC[C@H]3C2)cc1Cl	824920347	KUAKTZGJCGRWQP-NSHDSACASA-N	295.770	1.563	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)CC(=O)OC	906994415	QTOVOUYHZQEDGG-UHFFFAOYSA-N	265.309	1.694	10	20	CDCD	
Cc1cc(O)c(CNC[C@@H]2CN(C)CCN2C)cc1Cl	825266880	NNEYESHLZGTSOZ-CYBMUJFWSA-N	297.830	1.689	10	20	CDCD	
NC(=O)[C@H]1CCCN1Cc1cc(Cl)cc(F)c1O	824959103	BGSNHCCIJPDGLD-SNVBAGLBSA-N	272.707	1.634	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)NCCc1cccnc1	588405487	XBAJHMCRVOKMDY-XQRVVYSFSA-N	284.315	1.865	10	20	CDCD	
O=C(CC1COC1)NCCCSc1nccs1	900683902	SSXYHQCIAKJVTM-UHFFFAOYSA-N	272.395	1.778	10	20	CDCD	
COc1ccc(O)c(CNC(=O)NCCN(C)C2CC2)c1	734070459	WDYQORBAWXYPOR-UHFFFAOYSA-N	293.367	1.294	10	20	CDCD	
C[C@@H](N)C[C@@H](C)NC(=O)NCc1ccc(N(C)C)c(F)c1	831117408	VXRQKRQREJXROY-GHMZBOCLSA-N	296.390	1.817	10	20	CDCD	
CN(C)c1ccc(CNC[C@H]2CCCNC2=O)cc1F	839196123	RJHNVIBNBNWLLA-GFCCVEGCSA-N	279.359	1.508	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)CCSCC(=O)O	830860187	NUFSTDLGKXQWOL-UHFFFAOYSA-N	283.349	1.559	10	20	CDCD	
Cc1cc(CN[C@@H](CO)[C@H]2CCCOC2)ccc1N(C)C	839648596	CRICSSLPDIFHFC-HOTGVXAUSA-N	292.423	1.938	10	20	CDCD	
CCOC(=O)c1ccc(/C=C2/SC(=S)NC2=O)o1	748441130	PVPAHWLJDGCEIB-VMPITWQZSA-N	283.330	1.945	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H](N)C2CC2)c1	841965920	LRYOZUPHXFRYQQ-NOZJJQNGSA-N	293.367	1.498	10	20	CDCD	
CC(=O)c1cc(F)cc(CN(C)[C@@H](C)CN)c1O	843350102	KDYHGBBFTBKPHP-QMMMGPOBSA-N	254.305	1.513	10	20	CDCD	
CN(C(=O)/C=C/c1cccnc1)c1ccc(C(N)=O)cc1	917860451	MOKZCXHLDXXECE-RUDMXATFSA-N	281.315	1.857	10	20	CDCD	
CCN(CC(=O)NC)c1ccc(OC)c(OC)c1	747681262	KTJGRNUGSSEXOX-UHFFFAOYSA-N	252.314	1.276	10	20	CDCD	
OC[C@H]1CN(Cc2cc(Cl)cc(F)c2O)CC[C@H]1O	840974750	FYAUORJMSNBLNJ-BXKDBHETSA-N	289.734	1.360	10	20	CDCD	
CCC(CC)[C@@H](O)CNC(=O)C(=O)Nc1ccc(N)cc1	841037702	SPSAYNITBKPIAN-ZDUSSCGKSA-N	293.367	1.121	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CC[C@H]1C(N)=O	847500311	ICSGKOMFUPZHDA-KGLIPLIRSA-N	289.379	1.189	10	20	CDCD	
CCc1cccc(CN2CCS(=O)(=O)C[C@H](C)C2)c1O	848907936	VKWKBHYLHICCTM-GFCCVEGCSA-N	297.420	1.821	10	20	CDCD	
CC(C)(N)c1nocc1C(=O)NCc1ccccc1O	848426462	CTNDELKNSRDEIP-UHFFFAOYSA-N	275.308	1.504	10	20	CDCD	
CNC[C@@H](C)NC(=O)NCc1ccc2c(c1)CCCN2C	851656135	HLPVRULSSMADFZ-GFCCVEGCSA-N	290.411	1.476	10	20	CDCD	
COC(=O)[C@@]1(C)CN(C(=O)c2cc(O)cs2)C[C@@H]1C	869836704	HLNRMKGUXLIANQ-SDBXPKJASA-N	283.349	1.725	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)/C=C\CN2CCOCC2)c1	869412113	ZDZSLUUGXUGPEU-IHWYPQMZSA-N	290.363	1.205	10	20	CDCD	
CCN(CC)c1ccc(CN2CCCNC(=O)C2)cc1	769114207	IRRYPTYVRXKIBP-UHFFFAOYSA-N	275.396	1.855	10	20	CDCD	
Nc1ccc(CN2CCC([C@@H]3OCC[C@H]3N)CC2)cc1	1120370547	ACLVAQZBUNLCQS-CVEARBPZSA-N	275.396	1.597	10	20	CDCD	
CCN(C)c1ccc(CN2CCN3C(=O)OC[C@H]3C2)cc1	773767180	YKTZLDFYUIYWPG-OAHLLOKOSA-N	289.379	1.779	10	20	CDCD	
Cc1ccc(C(=O)OCC(=O)c2ccc(O)c(O)c2)nc1	784350484	KNYPWKPQTUHDSJ-UHFFFAOYSA-N	287.271	1.841	10	20	CDCD	
C[C@H](O)CCCNCc1ccc(N2CCN(C)CC2)cc1	788523402	CAOOAYBUQITJOK-HNNXBMFYSA-N	291.439	1.689	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2cnn(C)n2)c1	786408123	FEGSYXCULOYPSK-MRVPVSSYSA-N	276.296	1.020	10	20	CDCD	
CN(C)c1ccc([C@@H](CN[C@H]2CCOC2)N(C)C)cc1	898451295	WXWDXCPBXXBMKD-GOEBONIOSA-N	277.412	1.734	10	20	CDCD	
C[C@H](O)CCN(C)C(=O)NCc1ccc(N)cc1	1337069804	CARZNFUXUNKRQQ-JTQLQIEISA-N	251.330	1.181	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)[C@@H]1[C@H]2CCCO[C@H]21	780660653	SNTYVVWJPFVDEX-LERXQTSPSA-N	277.320	1.182	10	20	CDCD	
O=C(O)[C@@H]1CNCCCN1Cc1cccc(Cl)c1O	1610747527	LMXSHWRIDXYZJO-NSHDSACASA-N	284.743	1.294	10	20	CDCD	
Cc1cc(O)c(CN2CCOC[C@H]2C(=O)O)c(Cl)c1	1610475687	JEOGIKVIUYRNLX-NSHDSACASA-N	285.727	1.639	10	20	CDCD	
O=C(NC1CNC1)c1cc2cc(O)c(O)cc2s1	1574311965	SCRKKPQDIZQJKJ-UHFFFAOYSA-N	264.306	1.014	10	20	CDCD	
Oc1c(Cl)cc(Cl)cc1CN[C@@H]1CCNC[C@H]1O	1580886031	VNZVIIHEEABZHQ-GHMZBOCLSA-N	291.178	1.511	10	20	CDCD	
NC(=O)N=Nc1ccc(C(=O)N2CC(C(=O)O)C2)cc1	1594645934	XXBLYCHUXAVIBZ-UHFFFAOYSA-N	276.252	1.006	10	20	CDCD	
COC[C@]1(C(=O)O)CN(Cc2cccc(C)c2O)CCO1	1593982875	DGVRISVVKMASIA-HNNXBMFYSA-N	295.335	1.003	10	20	CDCD	
CNC[C@@H](C)N[C@H](C)c1cc(C(=O)O)ccc1O	1598665810	CFABVDUILUUYDH-RKDXNWHRSA-N	252.314	1.349	10	20	CDCD	
CN(C)c1ccc(CNC(=O)C[C@@H]2COC(=O)C2)cc1F	155957457	RXLAUNNMAHTCRY-NSHDSACASA-N	294.326	1.461	10	20	CDCD	
CCn1nccc1CNCc1cc2c(cc1O)OCO2	853093424	KFYCOVOHVZUQHY-UHFFFAOYSA-N	275.308	1.627	10	20	CDCD	
CN(CCCCCO)C(=O)c1cccc(O)c1O	227071528	XNELLLPQSBNPRF-UHFFFAOYSA-N	253.298	1.332	10	20	CDCD	
COC[C@@H](CN[C@H](C)c1ccc(F)cc1O)OC	230672168	IUCYUJBPUAZWJP-MWLCHTKSSA-N	257.305	1.843	10	20	CDCD	
CCc1cnc(CNC(=O)Cc2ccc(N)cc2)o1	231632448	LTADGKLAGSUDOC-UHFFFAOYSA-N	259.309	1.678	10	20	CDCD	
C[C@@H](NCc1nc(O)n[nH]1)c1ccc(N(C)C)cc1	392466801	SSHFWDAYRQLZHY-SECBINFHSA-N	261.329	1.427	10	20	CDCD	
COc1cc(Cl)cc(CN(C)CCOCCN)c1O	699504998	CGAGEUGJDFBNDO-UHFFFAOYSA-N	288.775	1.461	10	20	CDCD	
COc1ccc(CNCc2c(C)cnn2C)c(O)c1	394103529	XUWZMQNLZWQSKO-UHFFFAOYSA-N	261.325	1.733	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CC[C@@H](CN)C2)c1O	50250418	NQGYEHXLHVPXTN-JTQLQIEISA-N	266.316	1.515	10	20	CDCD	
CN1C(=O)C(=Cc2cc(F)c(F)cc2F)C(=O)N(C)C1=O	128669396	TVIKOMZPDOBUQC-UHFFFAOYSA-N	298.220	1.538	10	20	CDCD	
O=C(NCCCSc1nccs1)N[C@@H]1CCOC1	179081229	RUQJGDLCYAKNCX-SECBINFHSA-N	287.410	1.713	10	20	CDCD	
Cc1cc(=O)c(C(=O)NCc2ccc(N(C)C)cc2)c[nH]1	174440087	ACDGYTNGHHFNHP-UHFFFAOYSA-N	285.347	1.679	10	20	CDCD	
CN(Cc1cccc(Cl)c1O)[C@@H]1CCS(=O)(=O)C1	124505026	HDCNJBFCRJDIMC-SNVBAGLBSA-N	289.784	1.665	10	20	CDCD	
O=C1NC(=S)S/C1=C/c1cc(C(=O)O)cs1	309764377	NFCSZAVEJBJMPU-QHHAFSJGSA-N	271.344	1.935	10	20	CDCD	
CCOC(=O)CN(C)Cc1cccc(OCC)c1O	128564642	NBXRGVQOZJWECL-UHFFFAOYSA-N	267.325	1.786	10	20	CDCD	
COc1ccc(N(C)CC(=O)NCC(F)(F)F)cc1F	121820998	WUWYVLSSZXAJIT-UHFFFAOYSA-N	294.248	1.949	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CCC(O)(CO)CC2)c1O	313726602	RXOSKROOHSRLPI-UHFFFAOYSA-N	297.326	1.053	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N[C@@H]2C[C@H](O)C2(C)C)cc1	186964455	YHTNTVMNBZQJOW-KGLIPLIRSA-N	291.395	1.711	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H](CO)c2ccccc2)c(O)c1O	182965767	KRYSRENZLLGKHP-ZDUSSCGKSA-N	287.315	1.870	10	20	CDCD	
Nc1ccc(CC(=O)N2CCC[C@@H](CCC(=O)O)C2)cc1	43586155	JVPOYSOQOHLZIH-ZDUSSCGKSA-N	290.363	1.915	10	20	CDCD	
COCCOCCN[C@@H](C)c1ccc(F)cc1O	62748353	FNHCCNOUAFGTBD-JTQLQIEISA-N	257.305	1.845	10	20	CDCD	
C[C@@H]1C[C@@H](NC(=O)c2cccc(O)c2O)CCO1	229417016	CFEIRHXPQZJZER-BDAKNGLRSA-N	251.282	1.395	10	20	CDCD	
COC[C@@H](CN[C@H](C)c1cc(F)ccc1O)OC	230672282	UAXGCNQWTMEHAN-MWLCHTKSSA-N	257.305	1.843	10	20	CDCD	
C[C@H](NC[C@]1(O)CCO[C@@H]1C)c1ccc(F)c(F)c1O	278636930	DDLYCFSKWRCKGO-ATEUNZGCSA-N	287.306	1.861	10	20	CDCD	
COCCN(CCN(C)C)Cc1cccc(C)c1O	289571450	ZRFXTUJMTUPEDC-UHFFFAOYSA-N	266.385	1.711	10	20	CDCD	
CN(Cc1cc2c(cc1O)OCO2)C[C@@H](O)C1CC1	809751693	JAZRSSQZQCYCNO-GFCCVEGCSA-N	265.309	1.324	10	20	CDCD	
CNC(=O)[C@H](CCSC)NCc1ccc(N(C)C)cc1	808437687	USVPDAYUIVZBGC-AWEZNQCLSA-N	295.452	1.710	10	20	CDCD	
COCCOCCN(C)C(=O)/C=C/c1ccc(O)c(O)c1	291983087	VQCNRBQNKNQBDB-GQCTYLIASA-N	295.335	1.232	10	20	CDCD	
Oc1cccc2c1[C@@H](NC[C@H](O)C1CCOCC1)CC2	296733233	JBRGYAPUJQYNIO-ZFWWWQNUSA-N	277.364	1.757	10	20	CDCD	
COc1cccc(CNC(=O)c2cnn3c2CCC3)c1O	295297174	QRVIWHLKFLKTDE-UHFFFAOYSA-N	287.319	1.474	10	20	CDCD	
Cc1cc(CN2CC(=O)N(C)C[C@H]2C)ccc1N(C)C	815098944	OYJJPKJSXNZTRU-CYBMUJFWSA-N	275.396	1.724	10	20	CDCD	
C[C@H](NCC(F)(F)CN)c1cc(F)cc(F)c1O	817966494	PBPQHWQRMYPPAN-LURJTMIESA-N	266.238	1.915	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)NC[C@H]2CCCN2)c1	817952615	RWIMDHOHGIXWFU-CMPLNLGQSA-N	278.352	1.581	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)NC[C@H](N)C2CC2)c1	817966014	ZEIGGCUPTBHOTR-RNCFNFMXSA-N	278.352	1.567	10	20	CDCD	
C[C@@H](NC(=O)[C@H]1CCCN(C(N)=O)C1)c1ccccc1O	827923242	MNHIFLXTHJUHBM-MNOVXSKESA-N	291.351	1.360	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@H](N)CC(F)F)cc1F	827905925	CMYAXKPKYUKACU-SNVBAGLBSA-N	289.301	1.490	10	20	CDCD	
CN1CCCN(CCCNC(=O)c2cc(O)cs2)CC1	827580228	RSYVLNANERVTIO-UHFFFAOYSA-N	297.424	1.211	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)c1c2c(nn1C)CCC2	906991918	QXIAVHMSCVKGRS-UHFFFAOYSA-N	285.347	1.887	10	20	CDCD	
COC[C@@H](CO)N[C@@H](C)c1ccc(Cl)cc1O	841752595	PWJPYOGIUQTNLB-WCBMZHEXSA-N	259.733	1.704	10	20	CDCD	
C[C@H](N)C[C@@H](C)NCc1cc2c(cc1O)OCO2	843129910	UFNGROQCBLWRMK-DTWKUNHWSA-N	252.314	1.336	10	20	CDCD	
Nc1ccc(CCNC(=O)NC[C@H]2CCCO2)cc1	841506265	DQKIKRRIXUHHHX-CYBMUJFWSA-N	263.341	1.290	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1CCC[C@@H](C(N)=O)C1	840908795	XTVHGELWOWINKU-CQSZACIVSA-N	275.396	1.758	10	20	CDCD	
NC[C@]12CCC[C@H]1CN(Cc1cc3c(cc1O)OCO3)C2	844902194	KTGLWFJWQYSTKC-LRDDRELGSA-N	290.363	1.682	10	20	CDCD	
C[C@H]1CN(C(=O)NCCc2ccc(N)cc2)C[C@@H](C)N1C	841955940	RWZYBQLSYJYOKH-BETUJISGSA-N	290.411	1.545	10	20	CDCD	
COCC[C@@](C)(O)CNCc1ccc(N(C)C)cc1C	840933304	BSQUMLPQVQZEMR-MRXNPFEDSA-N	280.412	1.938	10	20	CDCD	
CCC[C@@H](O)[C@H](CO)NCc1ccc(N(C)C)c(F)c1	842227176	RSLGWBPRTIPZRR-DZGCQCFKSA-N	284.375	1.503	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)NC[C@H](N)C(C)C)c1	841943964	RXCRAVSUONXAJF-GWCFXTLKSA-N	295.383	1.744	10	20	CDCD	
CCN(CC)c1ccc(CN(C)[C@H]2C[C@H](N)C[C@@H]2O)cc1	923320150	VMSMQNVPWRCWBP-XIRDDKMYSA-N	291.439	1.815	10	20	CDCD	
C[C@@H](O)[C@H](O)CN(C)Cc1ccc(N2CCCCC2)cc1	929185624	WFJWGUSJQUSOOS-RHSMWYFYSA-N	292.423	1.850	10	20	CDCD	
COc1cccc([C@H](C)NC[C@H](O)C2CCOCC2)c1O	846152581	ANTPQIWVJRDVRA-FZMZJTMJSA-N	295.379	1.839	10	20	CDCD	
COc1cccc([C@@H](C)N[C@@H](CO)C2CCOCC2)c1O	846162994	KARWPGFXNLXRIR-RISCZKNCSA-N	295.379	1.839	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NC[C@H]2CCCO2)c1	858506051	COSFCWIXPQDYDQ-GFCCVEGCSA-N	264.325	1.679	10	20	CDCD	
CCOC(=O)[C@@H]1CCN(C(=O)Nc2ccc(N)cc2)C1	926140516	AYTYTRNHFUNAJQ-SNVBAGLBSA-N	277.324	1.686	10	20	CDCD	
Nc1ccc(NC(=O)C(=O)N2CCCC(F)(F)CC2)cc1	861511411	DNXVJWDDIOXRCD-UHFFFAOYSA-N	297.305	1.855	10	20	CDCD	
CON(C)C(=O)[C@@H](C)NCc1cc(Cl)c(F)cc1O	862542673	WURSCNOUVYBRMD-SSDOTTSWSA-N	290.722	1.683	10	20	CDCD	
C[C@H]1COCCN1Cc1cc2c(cc1O)OC[C@H]2O	768441771	MTTNUNLZFXSHPF-TVQRCGJNSA-N	265.309	1.039	10	20	CDCD	
COc1cccc(CNC(=O)[C@@H]2CCSC2)c1O	762526800	OLVLVKNTWJVCFH-SNVBAGLBSA-N	267.350	1.770	10	20	CDCD	
Cc1cccc(O)c1CN1CC[C@H](CS(C)(=O)=O)C1	877547071	QEXNSQXUYKCRKX-LBPRGKRZSA-N	283.393	1.567	10	20	CDCD	
COCC(C)(C)NCc1ccc(N2CCN(C)CC2)cc1	771828489	XLAMLWZEPGBIKF-UHFFFAOYSA-N	291.439	1.953	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2CC[C@@H](C)[C@H]2CO)c1O	775107909	OUZGPUISIMPLGS-BXKDBHETSA-N	296.323	1.512	10	20	CDCD	
CN(C(=O)CO[C@H]1CCCNC1)c1ccc(N)cc1	877079171	TVZPHBWSJSJPNU-ZDUSSCGKSA-N	263.341	1.000	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@H]2C[C@H](N)C2(C)C)cc1	876713828	UJCBKEBFFHXGJF-KBPBESRZSA-N	275.396	1.742	10	20	CDCD	
CN1CCN(c2ccc(CN3CC[C@@H](CO)C3)cc2)CC1	775669059	DDUGKDPSCLJBKH-MRXNPFEDSA-N	289.423	1.253	10	20	CDCD	
CCOc1ccc(CN[C@]2(CCO)CCOC2)c(O)c1	775028957	HNIXAMQYUNVJGY-OAHLLOKOSA-N	281.352	1.422	10	20	CDCD	
CC[C@@]1(O)CCN(Cc2ccc([N+](=O)[O-])c(OC)c2O)C1	775090513	RMLBIGRLWOEUQK-CQSZACIVSA-N	296.323	1.656	10	20	CDCD	
Cc1ccc([C@@H](C)NCc2nnc3c(=O)[nH]ccn23)c(O)c1	886704930	UJMFPERCTLAEBK-SNVBAGLBSA-N	299.334	1.282	10	20	CDCD	
CN(C)c1ccc(Cn2cc(Cn3ccnc3)nn2)cc1	881272170	PDCPXAYCDRWQEU-UHFFFAOYSA-N	282.351	1.637	10	20	CDCD	
COc1cc(C)cc(CNC[C@H](O)C2CCC2)c1O	894939362	CUKISDPNJIIADA-ZDUSSCGKSA-N	265.353	1.960	10	20	CDCD	
C[C@@]1(CO)C[C@@H](O)CN1Cc1c(O)ccc(Cl)c1F	895328914	HLPLKCCSVYVYDK-OQPBUACISA-N	289.734	1.502	10	20	CDCD	
COc1cc(C)cc(CN[C@H](C)[C@H]2CN(C)CCO2)c1O	894345976	NYLHMGAQLDOSGS-IUODEOHRSA-N	294.395	1.518	10	20	CDCD	
COc1ccc(CNC(=O)C[C@@H]2CCCOC2)c(O)c1	794387538	KSGUXCMEAKYYEW-NSHDSACASA-N	279.336	1.834	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(F)F	794629913	UPCAHZZENJVQKD-UHFFFAOYSA-N	272.295	1.950	10	20	CDCD	
CCOc1cccc(CN2C[C@@H](O)C(C)(C)C2)c1O	790937163	GVRUNDLQTSSGNT-CYBMUJFWSA-N	265.353	1.994	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2C[C@@H](O)C(C)(C)C2)c1O	279067826	ADUZGXDAFOHPLW-CYBMUJFWSA-N	281.327	1.937	10	20	CDCD	
OC[C@H](CC(F)F)N[C@H]1CCc2cccc(O)c21	717743095	GZLLIRYZJAYSTM-UWVGGRQHSA-N	257.280	1.985	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)C1CC(F)(F)C1	762268914	VHXMXPXLTFOCPL-UHFFFAOYSA-N	271.263	1.802	10	20	CDCD	
CN(CCC(=O)O)C(=O)c1cc2cc(O)c(O)cc2s1	1604143106	JNBYWMWURKODST-UHFFFAOYSA-N	295.316	1.859	10	20	CDCD	
CC(C)c1ccc(O)c(CN2CCC[C@H](O)[C@@H]2C(=O)O)c1	1604002783	NJZIEYYYIOPNKK-LSDHHAIUSA-N	293.363	1.926	10	20	CDCD	
O=S(=O)(CCNCc1cc(Cl)ccc1O)C1CC1	840963650	CKLPJWTYVMZRBY-UHFFFAOYSA-N	289.784	1.712	10	20	CDCD	
Oc1cc(Cl)ccc1CNC[C@H]1COCCN1	1580888749	XWIHNIWIDBYOBY-NSHDSACASA-N	256.733	1.124	10	20	CDCD	
C[C@@H](NCCOCC(=O)O)c1cc(Cl)ccc1O	1589128921	WHNCIYDFXFXDTI-MRVPVSSYSA-N	273.716	1.797	10	20	CDCD	
C[C@H](O)CN(CC(=O)O)Cc1cc(Cl)ccc1O	1593458708	DPNXWPNGBMYNPK-QMMMGPOBSA-N	273.716	1.313	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@@H](C)CC(=O)O)c1	1594105861	OUZWFNDBYHCFMZ-IUCAKERBSA-N	296.323	1.624	10	20	CDCD	
C[C@@H](NC(=O)c1cccc(O)c1O)c1ccccn1	126254481	OEJKMMZKOUWRQC-SECBINFHSA-N	258.277	1.984	10	20	CDCD	
CN(Cc1ccccc1O)S(=O)(=O)c1cccnc1	159642905	HBIPWLVNBRIFDY-UHFFFAOYSA-N	278.333	1.608	10	20	CDCD	
CS(=O)(=O)CCNCc1ccc(N2CCCCC2)cc1	37740658	QMALQUWLJCWVRZ-UHFFFAOYSA-N	296.436	1.811	10	20	CDCD	
C[C@H](NCC1(S(C)(=O)=O)CC1)c1cc(F)ccc1O	281292235	YDPDAXLAHSQJRQ-VIFPVBQESA-N	287.356	1.759	10	20	CDCD	
CO[C@@H]1CCCN(C(=O)Cc2ccc(N)cc2)CC1	692074105	SUTNHCGGGHEEBM-CQSZACIVSA-N	262.353	1.839	10	20	CDCD	
C[C@@H](NC[C@@H](O)CN(C)C)c1cc(F)ccc1O	717363409	CJKIUXNGKVRXIM-MWLCHTKSSA-N	256.321	1.104	10	20	CDCD	
CSc1ccccc1C(=O)N1CCS(=O)(=O)C[C@H]1C	172572777	VOWPBMAFYJNPTE-SNVBAGLBSA-N	299.417	1.668	10	20	CDCD	
CC[C@H](N)CNCc1ccc(N2CCN(C)CC2)cc1	107797417	QTAMZXLUHCYFKQ-HNNXBMFYSA-N	276.428	1.265	10	20	CDCD	
CCc1ccccc1NC=C1C(=O)N(C)C(=O)N(C)C1=O	60863290	PWSLRMVGKIBARN-UHFFFAOYSA-N	287.319	1.595	10	20	CDCD	
O=C(O)[C@H]1CC12CCN(C(=O)c1cccc(O)c1O)CC2	405395822	NENAPIQIRRWGOO-SNVBAGLBSA-N	291.303	1.425	10	20	CDCD	
CC(C)OC[C@@H](O)CN(C)c1ccc2c(c1)OCO2	121267381	GEULNQSUOZPGEG-LBPRGKRZSA-N	267.325	1.637	10	20	CDCD	
C[C@@H](CN1CCN(C)CC1)N[C@@H](C)c1ccc(F)cc1O	185392044	IMOJVSFLALTSAO-STQMWFEESA-N	295.402	1.818	10	20	CDCD	
C[C@@H](NCC(C)(C)OCCO)c1ccccc1O	287170550	CBQCIOGTBDOKDB-LLVKDONJSA-N	253.342	1.830	10	20	CDCD	
COc1cccc(CN[C@H](CO)CC(C)C)c1O	40773811	KZYMSSNALYIBIJ-LBPRGKRZSA-N	253.342	1.897	10	20	CDCD	
CCN(CC(=O)NC)Cc1cc(F)cc(C(C)=O)c1O	50143199	NJQLCCIMLSCTNT-UHFFFAOYSA-N	282.315	1.302	10	20	CDCD	
CCOc1ccc(O)c(CNCc2cnnn2CC)c1	527728162	PUIHKRXCXCHHFJ-UHFFFAOYSA-N	276.340	1.692	10	20	CDCD	
CCC(=O)N1CC[C@H](C(=O)NCc2ccccc2O)C1	269685285	NDAFMJNKRNJWDS-LBPRGKRZSA-N	276.336	1.267	10	20	CDCD	
C[C@H](CCO)N[C@H](C)c1ccc(N2CCOCC2)cc1	269011206	MXZOMBMMPKSTRY-ZIAGYGMSSA-N	278.396	1.945	10	20	CDCD	
O=C1N[C@H](c2cccc(Cl)c2O)N2CCSC[C@H]12	270853567	ZCVKKEBHKOHURL-KOLCDFICSA-N	284.768	1.591	10	20	CDCD	
C[C@H](O)CCCNC(=O)NCc1ccc(N(C)C)cc1	278915567	SNCBRJDDUYCBBU-LBPRGKRZSA-N	279.384	1.713	10	20	CDCD	
O=C(NC1CC1)N[C@@H]1CCN(Cc2ccccc2O)C1	273709815	FVUSIWOBRGBMLZ-CYBMUJFWSA-N	275.352	1.428	10	20	CDCD	
CCCC[C@@H](NCc1cc2c(cc1O)OCO2)C(=O)OC	274907318	ISWKRYGGLRJRMD-LLVKDONJSA-N	295.335	1.942	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@](C)(O)C2CC2)cc1F	287016300	PUZAJOOFSAWZJA-OAHLLOKOSA-N	280.343	1.669	10	20	CDCD	
C[C@H](NC(=O)c1c(F)ccc(O)c1O)C1CCOCC1	294797860	BBUYLAUXMRDWAX-QMMMGPOBSA-N	283.299	1.782	10	20	CDCD	
CCNC(=O)[C@@H](NC(=O)c1ccc(C)c(O)c1O)C(C)C	294481582	WJGGJVOIRACDMM-NSHDSACASA-N	294.351	1.297	10	20	CDCD	
COC(=O)c1ncn(Cc2ccc(N(C)C)cc2)n1	292645785	LXXSMLCNRVNHTD-UHFFFAOYSA-N	260.297	1.179	10	20	CDCD	
CO[C@@](C)(C(=O)NCc1ccc(O)c(O)c1)C1CC1	292146357	MHRQAOBEDQTKPG-CQSZACIVSA-N	265.309	1.529	10	20	CDCD	
Oc1cc2c(cc1CN1CCn3cncc3C1)OCO2	291481400	FWBGDVRTRNYGCB-UHFFFAOYSA-N	273.292	1.333	10	20	CDCD	
OC/C=C\CNCc1cccc(Br)c1O	717526408	YKZMTGPXAIGHFL-UPHRSURJSA-N	272.142	1.793	10	20	CDCD	
O=C(N[C@@H]1COc2ccccc2[C@H]1O)c1cc(O)cs1	811575635	NVNSOTCEHGAGKX-ZWNOBZJWSA-N	291.328	1.678	10	20	CDCD	
COC(=O)C1(C)CN(C(=O)c2ccc(C)c(O)c2O)C1	819757213	JYQPXSFCNZVWGN-UHFFFAOYSA-N	279.292	1.041	10	20	CDCD	
CCN1CCO[C@@H](C(=O)N[C@H](C)c2ccccc2O)C1	827936916	GMYBIWSBTOQVTC-BXUZGUMPSA-N	278.352	1.290	10	20	CDCD	
CC(C)N(C)CC(=O)N[C@H](C)c1ccccc1O	827930659	OONDMYIRISXGGG-LLVKDONJSA-N	250.342	1.910	10	20	CDCD	
COC[C@H](NCc1ccc(N(C)C)cc1C)C(=O)O	901478014	MMADSEZKDYJCIL-ZDUSSCGKSA-N	266.341	1.250	10	20	CDCD	
NC(=O)c1ccc(NC(=O)/C=C\c2ccc(O)c(O)c2)cc1	588403706	WTQMKQOWCCLGPZ-WAPJZHGLSA-N	298.298	1.849	10	20	CDCD	
O=C(O)[C@H](NCc1ccc2c(c1)CCO2)[C@H]1CCCOC1	901833649	UTDYRUYSEFDTQC-DZGCQCFKSA-N	291.347	1.591	10	20	CDCD	
O=C(O)C1(C(=O)NCc2c(O)cccc2F)CC1	902853248	LFJUCVYOLQWPPB-UHFFFAOYSA-N	253.229	1.012	10	20	CDCD	
COc1ccc(CNCC(F)(F)C(=O)O)cc1C	904032550	PGZFRHJETYDYJY-UHFFFAOYSA-N	259.252	1.813	10	20	CDCD	
CCN1CCC[C@@H](CNC(=O)c2cc(O)cs2)C1	732279225	LTLCKNYHYSSXCB-JTQLQIEISA-N	268.382	1.915	10	20	CDCD	
COc1cc(CN2CC(=O)N[C@@H](C)C2)c(O)cc1C	840135203	RQMFYKKQHGZMSE-JTQLQIEISA-N	264.325	1.030	10	20	CDCD	
CC[C@H](C)N(C)CCNC(=O)C(=O)Nc1ccc(N)cc1	841041439	CCMIAXVSMWXKMX-NSHDSACASA-N	292.383	1.054	10	20	CDCD	
CCN1C(=O)C(C)(C)N[C@@H]1c1ccc(N(C)C)cc1	840833552	QWPMBUICZLWOOU-ZDUSSCGKSA-N	261.369	1.982	10	20	CDCD	
C[C@@H]1C[C@@H](NC[C@@H]2CNC(=O)C2)c2c(O)ccc(F)c21	840833081	JHBLVTGJTHSOPN-FXPVBKGRSA-N	278.327	1.805	10	20	CDCD	
COC[C@@]1(CNCc2cc(OC)ccc2O)CCCN1	841067084	JRTGKJQOPLDUDJ-HNNXBMFYSA-N	280.368	1.259	10	20	CDCD	
C[C@@H]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(N)cc1	841124869	WGPPTUHJBYMWKC-MNOVXSKESA-N	275.352	1.760	10	20	CDCD	
CCN(CC)c1ccc(CN(C)C(=O)NCCNC)cc1	841935048	BSVWAWBNTPNSHB-UHFFFAOYSA-N	292.427	1.894	10	20	CDCD	
CNC(=O)Cc1noc(CN(C)c2ccc(OC)cc2)n1	844353518	XHUCNZONSPAMNF-UHFFFAOYSA-N	290.323	1.003	10	20	CDCD	
CC(C)NC(=O)[C@@H](C)N[C@@H](C)c1cc([N+](=O)[O-])ccc1O	840891365	RIVGXKYTKDFFMD-VHSXEESVSA-N	295.339	1.864	10	20	CDCD	
Cc1nnc(NC(=O)NCc2ccccc2O)s1	748326081	YOIOEMFXEACHJT-UHFFFAOYSA-N	264.310	1.874	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN[C@@H]1CCc2c(nnn2C)C1	848926710	WXLAFVRKGQOTNX-CQSZACIVSA-N	299.422	1.837	10	20	CDCD	
O=C1CC2(CCN(C(=O)c3cc(O)cs3)CC2)CN1	752807707	LLGQPSXABJETBS-UHFFFAOYSA-N	280.349	1.196	10	20	CDCD	
CC(=O)N1CC[C@@H](N[C@H]2CCc3cccc(O)c32)C1	857084554	VGIWAOUIJJWYHM-OLZOCXBDSA-N	260.337	1.590	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H](C)c2nccn2C)c(O)c1O	856280068	IMOCIGUNTMLELS-VIFPVBQESA-N	275.308	1.631	10	20	CDCD	
CC(C)(C)N1CC[C@H](NC(=O)c2c(F)ccc(O)c2O)C1	857304185	XNIODYCCAJBGLW-VIFPVBQESA-N	296.342	1.840	10	20	CDCD	
CCOCCNC(=S)N[C@H](C)c1ccccc1O	865269194	COBBJZZRDYFFNX-SNVBAGLBSA-N	268.382	1.954	10	20	CDCD	
COC/C=C/C(=O)NCc1ccc(N(C)C)cc1C	865904894	SZABYPWSBDHHKU-AATRIKPKSA-N	262.353	1.880	10	20	CDCD	
C[C@@H]1CN(C)C(=O)CN1Cc1cc(F)c(N(C)C)cc1F	862336723	KWOBWKOLBHKAFE-SNVBAGLBSA-N	297.349	1.693	10	20	CDCD	
CN1CCN(Cc2cc(Cl)ccc2O)[C@H](CO)C1	877643455	FDLSEMNRUGICCB-LBPRGKRZSA-N	270.760	1.154	10	20	CDCD	
CC1(O)CCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1	779531881	KUUXSQWECJRLAT-HYXAFXHYSA-N	277.320	1.484	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H](CO)C(C)(C)C)c1O	775200080	MLWZCHIZZWOTGG-NSHDSACASA-N	298.339	1.806	10	20	CDCD	
CN(C)C(=O)CCCC(=O)N(C)c1ccc(N)cc1	877078038	AMPINZPPHZAJJO-UHFFFAOYSA-N	263.341	1.490	10	20	CDCD	
COc1ccc(N2CCCN(c3ccnc(N)n3)CC2)cc1	1120805646	MFTAPRULFBRMBR-UHFFFAOYSA-N	299.378	1.784	10	20	CDCD	
C[C@@H](NC[C@@H](O)CN1CCCC1)c1c(O)cccc1F	886511451	UHJDJKYGBABKAU-VXGBXAGGSA-N	282.359	1.639	10	20	CDCD	
Cc1cc(O)c(CN2C[C@@H](O)C[C@]2(C)CO)cc1Cl	895326213	VZWLMOBAKHAJKE-SMDDNHRTSA-N	285.771	1.672	10	20	CDCD	
Cc1ccc(C(=O)NCc2nc(C3CC3)no2)c(O)c1O	780913872	ALSLGPPMZIMWMA-UHFFFAOYSA-N	289.291	1.597	10	20	CDCD	
CC[C@@H](NCc1ccc(OC)c(OC)c1O)C(=O)NC	894790191	LPQNDJWIDDLJFO-SNVBAGLBSA-N	282.340	1.024	10	20	CDCD	
CC(C)(CS(C)(=O)=O)NCc1ccc2c(c1)CCCO2	893599827	OROWSQXFAHDXBJ-UHFFFAOYSA-N	297.420	1.924	10	20	CDCD	
COC[C@@H](CNCc1c(O)ccc(Cl)c1F)OC	790989292	KXWSCDSWVFSSJN-MRVPVSSYSA-N	277.723	1.936	10	20	CDCD	
COC(=O)c1ccc(CNCc2ccc(OC)cc2O)[nH]1	793389029	SZTYCFDWQUSICX-UHFFFAOYSA-N	290.319	1.805	10	20	CDCD	
COc1ccc(CNC(=O)[C@@H](C)n2ccnc2)c(O)c1	1321067028	HTSDYMRRLMDGCU-SNVBAGLBSA-N	275.308	1.475	10	20	CDCD	
COc1ccc(O)c(CNCCSCCCO)c1	224792965	DKHFIDOYXWCWPL-UHFFFAOYSA-N	271.382	1.606	10	20	CDCD	
CCCNC(=O)CCNCc1cccc(CC)c1O	691437693	MDOVZZIFTMPXEJ-UHFFFAOYSA-N	264.369	1.961	10	20	CDCD	
CS(=O)(=O)CCCCNCc1cc(F)ccc1O	692815566	XTTHUOKKRATLKZ-UHFFFAOYSA-N	275.345	1.446	10	20	CDCD	
C[C@@]1(C(=O)O)CCN(C(=O)Cc2ccc(N)cc2)C1	62915509	NHJQQQPAYONRJU-CQSZACIVSA-N	262.309	1.135	10	20	CDCD	
C[C@H]1OCC[C@]1(C)NC(=O)NCc1ccc(N)cc1	1337017645	APYVASCDBNVANX-YGRLFVJLSA-N	263.341	1.636	10	20	CDCD	
COc1ccc(CN[C@H]2CCN(C)[C@H](C)C2)c(O)c1OC	1334964756	JLXNYFYCPDJPKY-YPMHNXCESA-N	294.395	1.982	10	20	CDCD	
O=C(O)[C@H](CC(F)F)NCc1ccc2c(c1)CCO2	1331962758	HKJARIBBJITTPS-JTQLQIEISA-N	271.263	1.820	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)CCc2nccn2C)c1	1347852144	QISPYFAYUSRGOS-UHFFFAOYSA-N	273.336	1.683	10	20	CDCD	
O=C(NCc1c(O)ccc2ccccc12)[C@H]1C[C@H]1C(=O)O	1608463413	CWAASNSXOGCHRD-NWDGAFQWSA-N	285.299	1.882	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@@H](N)C(C)(C)C	1576051415	BMDPWALCDQSXQR-QMTHXVAHSA-N	294.395	1.909	10	20	CDCD	
CC(=O)c1cc(F)cc(CN[C@@H](CN)C(F)(F)F)c1O	1575033584	SCQCULJBLKTAGC-JTQLQIEISA-N	294.248	1.713	10	20	CDCD	
Nc1cccc(CC(=O)NCc2cccc(O)c2O)c1	1580455251	QEFGRMSUKWTGNX-UHFFFAOYSA-N	272.304	1.539	10	20	CDCD	
O=C(O)[C@@H]1CCCN1Cc1cc(F)c(F)cc1O	1595167767	ZYULDMCFTAMAGH-JTQLQIEISA-N	257.236	1.719	10	20	CDCD	
Cc1cc(N2Cc3cccc(O)c3C2)c(-c2nn[nH]n2)cn1	1592013515	SLUHKFJUUUTSOK-UHFFFAOYSA-N	294.318	1.796	10	20	CDCD	
NC(=O)C1CCN(Cc2cc3c(cc2O)CCCC3)CC1	159469142	AEYIKQQYRLEWGG-UHFFFAOYSA-N	288.391	1.968	10	20	CDCD	
COc1ccc(N(C)CCN2C[C@@H]3CC[C@H](C2)O3)cc1	844353210	QZYNXHRKOUJJAG-IYBDPMFKSA-N	276.380	1.995	10	20	CDCD	
CCN(CC)C(=O)CNC(=O)Nc1ccc(N)cc1	228839300	KLXCKHYFXHRRJN-UHFFFAOYSA-N	264.329	1.259	10	20	CDCD	
CNC(=O)C[C@@H](C)N[C@H](C)c1cc(F)ccc1O	322527531	OJCOQAGTHPIMIP-RKDXNWHRSA-N	254.305	1.707	10	20	CDCD	
COC[C@@H](C)OC[C@H](O)CN(C)c1ccc(N)cc1	702111300	PNTZTDNSZJANKJ-BXUZGUMPSA-N	268.357	1.117	10	20	CDCD	
CC[C@@H](NC)C(=O)N(C)Cc1ccc(N(C)C)cc1	692021249	LLTBPZAEUUWTHW-CQSZACIVSA-N	263.385	1.709	10	20	CDCD	
O=C(NC[C@@H](C(=O)O)C1CCC1)c1cccc(O)c1O	697947378	JMYTUNLLUIYOMV-SNVBAGLBSA-N	279.292	1.329	10	20	CDCD	
CO[C@@H]1COC[C@H]1NCc1cc(Cl)ccc1O	842752340	LMWHBRXVFZWCSI-ZYHUDNBSSA-N	257.717	1.549	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1cnns1	115281734	VNHCTZOCHCBNPL-UHFFFAOYSA-N	276.365	1.843	10	20	CDCD	
O=C(NCc1cccc(O)c1O)[C@H]1CCCCO1	1350299551	DEWLYWJLNPVWGM-LLVKDONJSA-N	251.282	1.283	10	20	CDCD	
O=C(NCc1c(O)ccc2c1CCCC2)N[C@@H]1CCOC1	178774959	NDVDBENHVUKYIT-GFCCVEGCSA-N	290.363	1.859	10	20	CDCD	
CCCCCOCC(=O)NCCc1ccc(O)c(O)c1	122621153	DDBBVIZAYIQDMO-UHFFFAOYSA-N	281.352	1.963	10	20	CDCD	
CCCN1CCCN(Cc2ccccc2O)CC1=O	189216178	WEJKIOSFHFSLBI-UHFFFAOYSA-N	262.353	1.837	10	20	CDCD	
CCOc1cc(O)ccc1NS(=O)(=O)c1cn[nH]c1	189420007	QHFAQOFKHHYHKU-UHFFFAOYSA-N	283.309	1.315	10	20	CDCD	
Cc1ccc(C(=O)N2CCC[C@@H]2C(C)(C)O)c(O)c1O	182856222	LQDKILDEVICXKC-LLVKDONJSA-N	279.336	1.782	10	20	CDCD	
CC(C)CN1CCN(Cc2ccccc2O)CC1=O	190098113	OEWSEQUWEOIBQT-UHFFFAOYSA-N	262.353	1.692	10	20	CDCD	
CC(C)[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)O	223932583	FYYRTNDEDHNLLP-AGLBCWCQSA-N	279.292	1.336	10	20	CDCD	
CCCOc1ccc(CN[C@@H]2C(=O)NCC[C@@H]2C)c(O)c1	193679904	XIFZEAFHFHLCCD-NHYWBVRUSA-N	292.379	1.795	10	20	CDCD	
CCNC(=O)CN(C)Cc1cc(F)cc(C(C)=O)c1O	50148897	ICXBDOFUJXGKLM-UHFFFAOYSA-N	282.315	1.302	10	20	CDCD	
CN(C)c1ccc(C(=O)NCCc2ccc(N)cc2)cn1	237074595	YSPIFWDOUFASEA-UHFFFAOYSA-N	284.363	1.702	10	20	CDCD	
COC(=O)[C@@H](C)CN(C)Cc1cc(C)ccc1O	91986939	IXMQTGNSTMSYEK-NSHDSACASA-N	251.326	1.942	10	20	CDCD	
CC(C)N1CC[C@H](N[C@H]2CCc3cccc(O)c32)C1=O	297002649	SUPDBABVRGRJES-STQMWFEESA-N	274.364	1.978	10	20	CDCD	
COC(=O)[C@@H]1CCC[C@@H](C(=O)NCc2ccccc2O)C1	267503008	JIHDBPNJCWEBAY-VXGBXAGGSA-N	291.347	1.988	10	20	CDCD	
CCN(CCCO)C(=O)NCc1ccc(N(C)C)c(F)c1	266721258	JKOSEBSLRIUJIE-UHFFFAOYSA-N	297.374	1.806	10	20	CDCD	
COCCC[C@@H](C)C(=O)NCc1ccc(O)c(O)c1	272385412	WSSFNTPGQMZPSC-SNVBAGLBSA-N	267.325	1.777	10	20	CDCD	
C[C@@H](NCc1nnc2n1CCC2)c1ccc(F)cc1O	273399765	MUZAEQQFQCJZNZ-SECBINFHSA-N	276.315	1.920	10	20	CDCD	
Cc1ccc(C(=O)N2CC[C@H]([C@@H](C)O)C2)c(O)c1O	272954015	IRKVCCCWXVXYDK-ZJUUUORDSA-N	265.309	1.249	10	20	CDCD	
CO[C@H](CN)CC(=O)NCc1ccc(N2CCCC2)cc1	278308304	SQXZVYKVWZCNEZ-HNNXBMFYSA-N	291.395	1.267	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1C[C@H]2CC[C@H]1O2	273158669	JVLYPYKJGBKISF-SDBHATRESA-N	291.347	1.713	10	20	CDCD	
COCCOCCOCCN(C)Cc1cc(C)ccc1O	276191930	MKFMLFAZQRNLSW-UHFFFAOYSA-N	297.395	1.812	10	20	CDCD	
CCOC(=O)c1ccc(OCC(=O)C(C)=O)cc1	289530090	DSQIHTLHJAJRLV-UHFFFAOYSA-N	250.250	1.400	10	20	CDCD	
CC[C@@H](NC[C@H](O)COC)c1ccc(C)cc1O	280245559	WGKSXEGTNDHLDC-WCQYABFASA-N	253.342	1.749	10	20	CDCD	
C[C@H](NCCCn1cc(CO)nn1)c1ccc(F)cc1O	289712764	JDZXUGDSKFWCGL-JTQLQIEISA-N	294.330	1.356	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H]2CCCCC[C@H]2O)c(O)c1O	291961689	PNXFNWCXVJIDJK-VXGBXAGGSA-N	279.336	1.830	10	20	CDCD	
CC(=O)C(=O)COc1cc(F)c([N+](=O)[O-])cc1Cl	808042472	MDECGJRCTLGQRH-UHFFFAOYSA-N	275.619	1.924	10	20	CDCD	
Cc1ccc([C@H](C)NCCCN2CCNCC2)c(O)c1	817937342	WTBIVKKVGXZGJQ-AWEZNQCLSA-N	277.412	1.647	10	20	CDCD	
CC[C@H](NC[C@@H]1CNCCO1)c1ccc(N(C)C)cc1	817982329	CFRUJTMRIBTRSQ-HOTGVXAUSA-N	277.412	1.782	10	20	CDCD	
COC[C@H](C)NC(=O)N[C@H](C)c1cc(OC)ccc1O	729040836	IRPZBAXPJCMDRD-VHSXEESVSA-N	282.340	1.796	10	20	CDCD	
C[C@@H](NC(=O)C1(CO)CCOCC1)c1ccccc1O	827952199	JJHYBNXEEQHAJQ-LLVKDONJSA-N	279.336	1.359	10	20	CDCD	
O=C(NCCCSc1nccs1)[C@H]1[C@@H]2CCC(=O)[C@@H]12	906669598	GLGMVZNARGFNRP-MIMYLULJSA-N	296.417	1.967	10	20	CDCD	
CC(=O)N[C@@](C)(C(=O)NCc1ccc(O)cc1O)C(C)C	822971675	HSKVZHSALYFKKE-OAHLLOKOSA-N	294.351	1.265	10	20	CDCD	
Cc1ccc(C(=O)OCc2cn(C)nc2C)c(O)c1O	837483808	FSNFPEXSUSBYTB-UHFFFAOYSA-N	276.292	1.805	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCN(C2CCC2)CC1	733366174	NSMIEPFMAAJLHV-UHFFFAOYSA-N	266.366	1.764	10	20	CDCD	
CC[C@H](NC(=O)c1c(F)ccc(O)c1O)[C@@H](O)C(C)C	839870736	VJRPICMHHMHQTL-CABZTGNLSA-N	285.315	1.762	10	20	CDCD	
C[C@H](C(=O)NC(C)(C)C)N(C)C(=O)Cc1ccc(N)cc1	832070783	DMTRIKXEVXEIQX-LLVKDONJSA-N	291.395	1.573	10	20	CDCD	
O=C(O)CN(Cc1ccccc1O)C(=O)C1CCC1	911483785	DYPKXYAFXNPCRN-UHFFFAOYSA-N	263.293	1.606	10	20	CDCD	
CCN1C[C@H](CN[C@H]2CCc3cccc(O)c32)CC1=O	846208377	JBLJNJMBDRKVQW-AAEUAGOBSA-N	274.364	1.838	10	20	CDCD	
C[C@@H]1C[C@H](NCc2cc([N+](=O)[O-])ccc2O)CO1	842673437	LYHPKPUOIRTEAN-SCZZXKLOSA-N	252.270	1.567	10	20	CDCD	
O=S1(=O)CCN(Cc2ccccc2O)CCC12CCC2	840969828	LPRYEHURJOZMAI-UHFFFAOYSA-N	295.404	1.935	10	20	CDCD	
CN(C)CCn1ccc(NC(=O)Nc2ccc(N)cc2)n1	841295946	KKENZARMRADCJC-UHFFFAOYSA-N	288.355	1.671	10	20	CDCD	
COc1cccc(O)c1CNC[C@]1(O)CCSC1	747622783	XXWYXGILSMOYKP-CYBMUJFWSA-N	269.366	1.358	10	20	CDCD	
O=C(NCc1ccccc1O)c1cnn2cccnc12	748345230	AHKRFQDQJRJDQQ-UHFFFAOYSA-N	268.276	1.365	10	20	CDCD	
Nc1ccc(CCNC(=O)NC[C@H]2CCSC2)cc1	841891558	RPYQVZNCHLATOB-GFCCVEGCSA-N	279.409	1.864	10	20	CDCD	
CCOc1ccc(O)c(CNCC(F)(F)CN)c1	841060187	SJMCBXYMGBZVOO-UHFFFAOYSA-N	260.284	1.475	10	20	CDCD	
C[C@@H]1CCN(C(=O)NCCc2ccc(N)cc2)C[C@H]1CN	841956133	WFSOBLHSAMTRDU-TZMCWYRMSA-N	290.411	1.438	10	20	CDCD	
COc1cc(C)cc(CN2CC[C@@H](C(=O)N(C)C)C2)c1O	840178220	NAPVFFHLPUNJSB-GFCCVEGCSA-N	292.379	1.619	10	20	CDCD	
CC1(C)NCC[C@H]1NCc1cc2c(cc1O)OCO2	841085375	AUGISJTYBGFJFM-CYBMUJFWSA-N	264.325	1.351	10	20	CDCD	
CCO/C=C/C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	847696194	MPEGTVLXNVDMLH-FGEFZZPRSA-N	265.309	1.695	10	20	CDCD	
CN(C)c1ccc(CNC(=O)C[C@@H]2CCC(=O)N2)cc1	854270283	IQOMLNLPMAJLKV-LBPRGKRZSA-N	275.352	1.038	10	20	CDCD	
Nc1ccc(CCNC(=O)N2CC[C@@H]3C[C@H]3C2)cc1	851665565	VTMKMWYJOCYGIT-OLZOCXBDSA-N	259.353	1.863	10	20	CDCD	
O=C(OCCOC[C@@H]1CCCO1)c1cccc(O)c1O	758547404	LAHNPIJTUAFVSQ-JTQLQIEISA-N	282.292	1.450	10	20	CDCD	
CCC(CC)NC(=O)[C@H](C)OC(=O)c1cccc(O)c1O	758558851	NUAFKJFYJNDPSF-VIFPVBQESA-N	295.335	1.948	10	20	CDCD	
CCn1cc(CNC(=O)N[C@H](C)c2ccccc2O)nn1	868769702	KHCFILHLRQNKBY-SNVBAGLBSA-N	289.339	1.564	10	20	CDCD	
CC[C@@H](NC(=O)c1cc(O)cs1)[C@@H](O)C(F)(F)F	766249770	PNEYPKXDBHSNOQ-HTRCEHHLSA-N	283.271	1.885	10	20	CDCD	
C[C@H](NC(=O)NC[C@H]1C[C@H](O)C1)c1ccc(N(C)C)cc1	875507887	MPKWMEYCWKUJAO-HUBLWGQQSA-N	291.395	1.884	10	20	CDCD	
CCNC(=O)NC(=O)CNc1ccccc1NC(C)C	871847698	VLFMKONOOAAWQH-UHFFFAOYSA-N	278.356	1.765	10	20	CDCD	
CN1CCC[C@@H](NCc2cc(Cl)cc(F)c2O)C1=O	776230797	AKXICCDEJFMNJL-LLVKDONJSA-N	286.734	1.895	10	20	CDCD	
O=C(NCc1ccccc1O)c1nnc2ccccc2n1	774063596	HUDUVZBYHJFRRD-UHFFFAOYSA-N	280.287	1.660	10	20	CDCD	
C[C@H](NCCCOCCO)c1c(O)cccc1F	886588379	PXFQUSNFOIFXLG-JTQLQIEISA-N	257.305	1.581	10	20	CDCD	
COCC[C@](C)(O)CN[C@@H](C)c1c(O)cccc1F	886528866	SLXHPMCDXCZZGF-HZMBPMFUSA-N	271.332	1.969	10	20	CDCD	
COc1cccc(CN2CCN(CCO)C(C)(C)C2)c1O	783714122	LUAXBDIUVORAAQ-UHFFFAOYSA-N	294.395	1.289	10	20	CDCD	
CCN(CC(=O)N(C)C)Cc1cc(C)cc(OC)c1O	893943249	UNPKNFBGWXQROK-UHFFFAOYSA-N	280.368	1.619	10	20	CDCD	
NC(=O)C1(NCc2ccc(N3CCCC3)cc2)CC1	1343583372	GTEBMQJROQMIKZ-UHFFFAOYSA-N	259.353	1.394	10	20	CDCD	
C[C@@H](NCc1cc(F)ccc1O)c1ncnn1C	276436349	IEANYSDVNGTRDQ-MRVPVSSYSA-N	250.277	1.511	10	20	CDCD	
Cc1ccc(O)c([C@@H](C)NC[C@@]2(O)CCN(C)C2)c1	702638382	YGSQJPZWHCTZDJ-DOMZBBRYSA-N	264.369	1.418	10	20	CDCD	
Cc1cc(O)ccc1NS(=O)(=O)c1cn(C)c(C)n1	78005232	KKBMYXHFUZDTIK-UHFFFAOYSA-N	281.337	1.543	10	20	CDCD	
Cc1ccc(O)c(CNS(=O)(=O)c2c(C)noc2C)c1	1329239078	PCMNKHBCCOTXKW-UHFFFAOYSA-N	296.348	1.784	10	20	CDCD	
CC(C)(CO)CCCNC(=O)NCc1ccc(N)cc1	1335463185	COGHEQOLHNOWAS-UHFFFAOYSA-N	279.384	1.867	10	20	CDCD	
Nc1ccc(CNC(=O)COC[C@H]2CCCO2)cc1	1515333862	XEEOUCUXECYWJF-CYBMUJFWSA-N	264.325	1.081	10	20	CDCD	
O=C(O)CC1(NC(=O)Cc2ccc(O)c(O)c2)CCCC1	1608683942	TVBVZCXSEHAUTI-UHFFFAOYSA-N	293.319	1.544	10	20	CDCD	
C[C@H](N[C@H](C)CCCO)c1cccc(-c2nn[nH]n2)c1O	1589821890	YTRZJMQZHGQANS-ZJUUUORDSA-N	291.355	1.384	10	20	CDCD	
CC(C)(CS(C)(=O)=O)NCc1ccc2c(c1)CCO2	391446839	PMKHABFLJBCCBQ-UHFFFAOYSA-N	283.393	1.534	10	20	CDCD	
COC(=O)CN(CCCO)Cc1cc(Cl)ccc1O	109779814	JICUURKGJATMIW-UHFFFAOYSA-N	287.743	1.403	10	20	CDCD	
CN1CCC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)C1	180765374	XVSWKNUODROATJ-IYNGYCSASA-N	290.363	1.569	10	20	CDCD	
COC(=O)COc1ccc(N(C)Cc2cc[nH]n2)cc1	183227046	QFUNXWHOQIAYBA-UHFFFAOYSA-N	275.308	1.598	10	20	CDCD	
C[C@@H](NC[C@@H]1COC2(CCOCC2)O1)c1ccccc1O	183671741	UWGWSHWAWWLUFN-CHWSQXEVSA-N	293.363	1.965	10	20	CDCD	
COc1cccc(CN2C[C@H](CN)C[C@H]2C)c1O	216050094	YPTGOKSRGHVFJK-MNOVXSKESA-N	250.342	1.570	10	20	CDCD	
COC(=O)C1(C(=O)NCc2ccc(N(C)C)c(F)c2)CC1	126416595	QENFGAJGKOGWNE-UHFFFAOYSA-N	294.326	1.461	10	20	CDCD	
Oc1ccc(F)cc1CN1CCCC2(C1)OCCO2	184722034	GXWQSKIRQHVDRP-UHFFFAOYSA-N	267.300	1.870	10	20	CDCD	
CN(C)c1ccc(CN2CC[C@H](N3CCNCC3)C2)cc1	76525534	ARRDEFBKJPQCLI-KRWDZBQOSA-N	288.439	1.232	10	20	CDCD	
COc1ccc(O)c([C@H](C)N[C@H]2CC(=O)N(C3CC3)C2)c1	186088574	JIFLUXBPHOYLDW-QWRGUYRKSA-N	290.363	1.815	10	20	CDCD	
CCS(=O)(=O)CCN(C)Cc1c(O)cccc1Cl	130614253	BFLSJSUXEVAEBM-UHFFFAOYSA-N	291.800	1.912	10	20	CDCD	
CCCOCC(=O)N[C@H](C)Cc1ccc(O)c(O)c1	185389951	IGJAHLWBNQXHGI-SNVBAGLBSA-N	267.325	1.572	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2cccc(=O)n2C)c1	133761935	OJTJPGXPCJFXLC-UHFFFAOYSA-N	288.303	1.030	10	20	CDCD	
C[C@H](O)CNC(=O)NCc1ccc(N2CCCC2)cc1	47675144	OEIYWVOPNXVDPY-LBPRGKRZSA-N	277.368	1.467	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)CNC1CC1	237082404	KHBKAEBJKQTIQM-UHFFFAOYSA-N	261.369	1.429	10	20	CDCD	
Cc1cc(CNC(=O)NCc2ccccc2O)n(C)n1	283803796	BIEUDRZGLDXKSH-UHFFFAOYSA-N	274.324	1.434	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)c1cnc2[nH]c(O)nc2c1	809613241	PDPMBMQGCLBXPP-UHFFFAOYSA-N	298.302	1.641	10	20	CDCD	
COCCOCCN(C)Cc1cc(C)cc(OC)c1O	808237135	DLUALZGECDXCDZ-UHFFFAOYSA-N	283.368	1.804	10	20	CDCD	
CC(=O)C(=O)COC(=O)Cc1ccc(Br)cc1	808487368	IDQHEXCVMDJMQJ-UHFFFAOYSA-N	299.120	1.693	10	20	CDCD	
CC[C@H](O)CNC(=O)NCc1ccc(N(C)C)cc1	291824825	ZOSYTPFZOFOXIS-ZDUSSCGKSA-N	265.357	1.323	10	20	CDCD	
CC(=O)C(=O)COC(=O)COc1ccccc1Cl	808486392	APVDNQPLJVRARL-UHFFFAOYSA-N	270.668	1.420	10	20	CDCD	
CN1CCC(C)(CNC(=O)c2c(F)ccc(O)c2O)CC1	296725365	HWHFXLCZQJYRMX-UHFFFAOYSA-N	296.342	1.699	10	20	CDCD	
COc1cc([C@@H]2NC(=O)CN2CC(C)C)cc(O)c1O	298793888	RWHNKBXPSFHRIL-CQSZACIVSA-N	280.324	1.193	10	20	CDCD	
CN(C)c1ccc([C@H](N)CNC2CCC(O)CC2)cc1	817941489	JZRHWEDFISQYDF-AVVWSFFYSA-N	277.412	1.646	10	20	CDCD	
CCn1nncc1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	816180037	BXNJFWROKAHLRK-NSHDSACASA-N	287.367	1.855	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)NCC[C@H](O)C2CC2)c1	903405929	GEIJFIGOLLIAHG-HZMBPMFUSA-N	293.363	1.990	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2CCCC(=O)O	820548068	VBXCOMLUZFLCSD-UHFFFAOYSA-N	264.325	1.816	10	20	CDCD	
CC1(C)CCN(CCNC(=O)c2c(F)ccc(O)c2O)C1	900826592	AEWIYCMQMINADH-UHFFFAOYSA-N	296.342	1.699	10	20	CDCD	
Cc1nc(C(=O)NCc2ccc3c(c2)CCCN3C)n(C)n1	836189019	GXOFUHAXSNKAJD-UHFFFAOYSA-N	299.378	1.436	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CCNC(=O)O)cc1F	737379789	YRXCGBCTQIRLJZ-UHFFFAOYSA-N	283.303	1.166	10	20	CDCD	
O=C(NC1CCN(C(=O)c2cc(O)cs2)CC1)C1CC1	732271435	XDERLXDAEOKPHO-UHFFFAOYSA-N	294.376	1.585	10	20	CDCD	
CCCN(C)CC(=O)NC[C@H](N)c1ccc(N(C)C)cc1	832273576	OUEYHNGUKOZHOB-HNNXBMFYSA-N	292.427	1.210	10	20	CDCD	
O=C(N[C@H](C1CC1)[C@H](CO)C1CC1)c1cccc(O)c1O	834009094	DSDUDSPQXCYKGA-TZMCWYRMSA-N	291.347	1.625	10	20	CDCD	
O=C(NCCOC[C@H]1CCCO1)c1cc(O)cs1	734552598	HNNFLEUJZDGQHS-SNVBAGLBSA-N	271.338	1.379	10	20	CDCD	
CCN1CCC[C@@H](NC(=O)NCc2ccccc2O)C1=O	915525754	QXJJOFUDSBDGPZ-GFCCVEGCSA-N	291.351	1.202	10	20	CDCD	
O=C(NCC(=O)N1CCCCC1)c1cc(O)cs1	732270460	DMABOBMSGNFSMA-UHFFFAOYSA-N	268.338	1.196	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CCC(=O)C2)c1	843831775	REHBPCBLFCEKBY-NXEZZACHSA-N	277.320	1.947	10	20	CDCD	
CC[C@H](C(=O)NCc1ccc(O)cc1O)N(CC)CC	910950033	AQGCWMQHSGSMLA-CYBMUJFWSA-N	280.368	1.834	10	20	CDCD	
COc1cccc(CNC(=O)NCc2nccn2C)c1O	745802073	OKPNFKJFWLLZIJ-UHFFFAOYSA-N	290.323	1.134	10	20	CDCD	
COc1ccc(N(C)C[C@@H]2CCC(=O)N2)cc1OC	844278445	CULOELKTFIRDFK-JTQLQIEISA-N	264.325	1.419	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)[C@H]1C[C@@H](N)C1	843413552	SQKUOJAIQUNCQV-BETUJISGSA-N	262.353	1.868	10	20	CDCD	
COC(=O)[C@@H]1CN(Cc2cc(F)ccc2O)C[C@H](C)O1	846060765	UTEGJFHBUDNJAU-ZANVPECISA-N	283.299	1.294	10	20	CDCD	
CCS(=O)(=O)C1CN(Cc2cccc(Cl)c2O)C1	841886334	NJKFCQYCJAGNOX-UHFFFAOYSA-N	289.784	1.665	10	20	CDCD	
COC1(C)CN(C(=O)NCc2ccc(N(C)C)c(F)c2)C1	753152509	XRCMQHWRSHWATH-UHFFFAOYSA-N	295.358	1.822	10	20	CDCD	
C[C@H]1C[C@@H](NCCN2CC[C@@H](O)C2)c2c(O)ccc(F)c21	858546948	BJFPSVWJTNVURJ-DMDPSCGWSA-N	294.370	1.736	10	20	CDCD	
CCOc1ccc(O)c(CN2CCO[C@@H](C(=O)OC)C2)c1	769333924	WGDCPMFXIOYQIF-CQSZACIVSA-N	295.335	1.165	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)COCc2ccccn2)c1	862755960	NTUMBWXQAJOXFV-UHFFFAOYSA-N	286.331	1.929	10	20	CDCD	
CCN(CCO)CCNCc1ccc(N(C)C)c(F)c1	768946142	RIJJWBOBRSYJGQ-UHFFFAOYSA-N	283.391	1.296	10	20	CDCD	
CN[C@@H](C)CCNC(=O)N[C@H](C)c1cc(OC)ccc1O	1118031201	AFDIACQTSVZDKU-WDEREUQCSA-N	295.383	1.759	10	20	CDCD	
CC(=O)CCCC(=O)NCc1ccc(O)c(O)c1	773412729	FVLMGIWCLKLNPK-UHFFFAOYSA-N	251.282	1.473	10	20	CDCD	
Cc1cccc(O)c1CN1CC[C@H](C)S(=O)(=O)CC1	877479603	WQGILNSBNXOXFL-LBPRGKRZSA-N	283.393	1.710	10	20	CDCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1nc[nH]n1	773286722	SLWCCODWCJJHLC-UHFFFAOYSA-N	287.367	1.922	10	20	CDCD	
CN1C(=O)C2(CCCC2)N[C@H]1c1cccc(F)c1O	778525291	MHZFRGVUVPEAPD-GFCCVEGCSA-N	264.300	1.904	10	20	CDCD	
CO[C@@H]1COC[C@H]1N[C@@H](C)c1c(O)cccc1F	886629731	MHFYURDNVQAAGB-MKPLZMMCSA-N	255.289	1.596	10	20	CDCD	
C[C@H](NC[C@@H](O)COCC1CC1)c1ccccc1O	775137040	QOYDMRARHJJPFB-WCQYABFASA-N	265.353	1.830	10	20	CDCD	
CCC[C@H](CNC(=O)NCc1ccc(N)cc1)OC	1120624496	QAQJLMKCUOKLNT-CYBMUJFWSA-N	265.357	1.883	10	20	CDCD	
CC1(C)CN(Cc2ccc(N)cc2)CCN1CCO	1120370864	HUZOLZJPNDALKI-UHFFFAOYSA-N	263.385	1.157	10	20	CDCD	
Cc1nc(C)c(C(=O)OCC(=O)c2ccc(O)c(O)c2)o1	783980935	MCGOARLQXPPPPH-UHFFFAOYSA-N	291.259	1.742	10	20	CDCD	
COc1ccc(CNC[C@H](CO)C(C)C)c(O)c1OC	894442946	ATJOFZMVDKPQIG-GFCCVEGCSA-N	283.368	1.764	10	20	CDCD	
NC(=O)[C@H]1CCC[C@H](C(=O)NCc2ccc(O)c(O)c2)C1	787132203	WHMHYPYSAXBUCT-QWRGUYRKSA-N	292.335	1.006	10	20	CDCD	
Cc1ccc(C(=O)N[C@H]2CCN(C)[C@@H](C)C2)c(O)c1O	780950960	PIOSHTHSUHKIJW-QWRGUYRKSA-N	278.352	1.619	10	20	CDCD	
C[C@H]1CN(Cc2cc(F)cc(F)c2O)C[C@@H](CO)O1	894539103	XMFDOEJEKFWNKK-KWQFWETISA-N	273.279	1.252	10	20	CDCD	
COc1ccc(CNC(=O)c2c[nH]c(C)cc2=O)c(O)c1	794381808	UGCIFPKORIFRMZ-UHFFFAOYSA-N	288.303	1.328	10	20	CDCD	
COC(=O)[C@H](CC(F)F)NC(=O)c1cccc(O)c1O	790912095	ZLKQNDUTALRMBM-ZETCQYMHSA-N	289.234	1.024	10	20	CDCD	
COC(=O)c1ccc(NCc2ccc(OC)cc2O)nn1	795284042	GUYHCPPNLHZUJN-UHFFFAOYSA-N	289.291	1.590	10	20	CDCD	
CC[C@@H](NC[C@](C)(O)COC)c1ccc(F)cc1O	796762129	RNUNNALXOPUKHZ-OCCSQVGLSA-N	271.332	1.969	10	20	CDCD	
CCCS(=O)(=O)NCc1ccc(N(C)C)cc1	48955666	UOTSNKNXPODFOA-UHFFFAOYSA-N	256.371	1.582	10	20	CDCD	
COc1cccc(CN(C)CCN2CCOCC2)c1O	92974874	WNESPAGDBXUTHD-UHFFFAOYSA-N	280.368	1.165	10	20	CDCD	
CN(C)C1(CNC(=O)NCc2ccc(N)cc2)CCCC1	1335910044	DHQYUWZYRVCMJP-UHFFFAOYSA-N	290.411	1.942	10	20	CDCD	
COc1cccc(CN(C)C[C@H]2CCOC2)c1O	93840144	IFXYGNOBHLGFQS-LLVKDONJSA-N	251.326	1.869	10	20	CDCD	
CN(Cc1ccccc1O)c1nnnn1C[C@@H]1CCOC1	1335421221	QLDREULZFPHYMD-NSHDSACASA-N	289.339	1.052	10	20	CDCD	
COc1ccc(CNC(=O)NCCC(F)F)c(O)c1	1263280132	AMMIEWHKTVXSGL-UHFFFAOYSA-N	274.267	1.855	10	20	CDCD	
CC[C@H](F)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	1346977409	YLELPBFZDOCBJT-WPRPVWTQSA-N	255.289	1.893	10	20	CDCD	
C[C@@H](NC(=O)NCc1ccc(N)cc1)[C@@H]1CCOC1	1357240699	CWXPIESQYKZFGV-ZYHUDNBSSA-N	263.341	1.493	10	20	CDCD	
CN(C)c1ccc(OCCC2OCCO2)cc1C(=O)O	1606058382	AYBILLBJVIKYAA-UHFFFAOYSA-N	281.308	1.593	10	20	CDCD	
CC(C)NC(=O)CCN[C@H](C)c1cc(C(=O)O)ccc1O	1609707044	GKGUHHKDTWCJIV-SNVBAGLBSA-N	294.351	1.656	10	20	CDCD	
N[C@@H]1CCC[C@H](C(=O)NCc2ccc(O)cc2O)C1	1580378485	YVLIFYIQPUCUSW-GXSJLCMTSA-N	264.325	1.232	10	20	CDCD	
C[C@@H](NC(=O)c1c[nH]c(-c2nn[nH]n2)c1)c1ccccc1O	1591728329	RNYLYORMYCJQQJ-MRVPVSSYSA-N	298.306	1.391	10	20	CDCD	
C[C@H](NCCCCCO)c1cc(C(=O)O)ccc1O	1593263991	DNHSBZGLYCQBIX-JTQLQIEISA-N	267.325	1.904	10	20	CDCD	
CCOc1cccc(CN2C[C@H](C)NC[C@H]2C)c1O	250522446	UIMLWAXVMLUOHF-NWDGAFQWSA-N	264.369	1.973	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)c1ccc2c(c1)CCO2	159006612	YAHDOSPRGPRSSZ-UHFFFAOYSA-N	285.299	1.963	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2ccnn2C)c1	103529123	FFECHXSRWRUTEW-SECBINFHSA-N	275.308	1.625	10	20	CDCD	
Cc1cccc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c1C	108658535	WLTZIVTZNVXVHN-UHFFFAOYSA-N	272.304	1.737	10	20	CDCD	
COc1ccc(O)c(CNC(=O)CCn2cc(C)cn2)c1	114543570	XKEGWFCQXRUVKK-UHFFFAOYSA-N	289.335	1.612	10	20	CDCD	
CN(C)c1ccc(CNS(=O)(=O)CC2CCC2)cc1	120497987	YKKSRBVMCJNMQJ-UHFFFAOYSA-N	282.409	1.972	10	20	CDCD	
C[C@H]1CN(Cc2cc(F)ccc2O)CCN1CC(C)(C)O	188896957	CPRGRIMERUPZTB-LBPRGKRZSA-N	296.386	1.808	10	20	CDCD	
Oc1ccccc1CN(CC1OCCO1)C[C@H]1CCCO1	182651010	MDNKJYHSIXNSIB-CQSZACIVSA-N	293.363	1.746	10	20	CDCD	
CN1CCCc2cc(CNC(=O)c3cnccc3N)ccc21	188136241	KIKZZUBCUJMXCC-UHFFFAOYSA-N	296.374	1.976	10	20	CDCD	
COc1cc(Cl)cc(CN[C@H](C)CCO)c1O	228674927	PGYNXPXPSSIRSR-MRVPVSSYSA-N	259.733	1.915	10	20	CDCD	
COc1cc(C)cc(CN2CCN(C)CC2)c1O	199971665	DKPMTUFMDBSNDB-UHFFFAOYSA-N	250.342	1.457	10	20	CDCD	
COCCN(CCC(=O)OC)Cc1ccc(N(C)C)cc1	93415885	MLEUZGGFPZNKCF-UHFFFAOYSA-N	294.395	1.764	10	20	CDCD	
Cc1noc(CN2CCOc3cc(N(C)C)ccc32)n1	266852778	FIEMUBVEXUIMEQ-UHFFFAOYSA-N	274.324	1.843	10	20	CDCD	
C[C@@]1(CO)CCCN(Cc2cc3c(cc2O)OCO3)C1	93341194	KVOBGVINDXVSAS-OAHLLOKOSA-N	279.336	1.715	10	20	CDCD	
CO[C@H](C)CCNC(=O)N(C)Cc1ccccc1O	263810059	UYNOBXHFXDIKRJ-LLVKDONJSA-N	266.341	1.959	10	20	CDCD	
CCNC(=O)[C@@H](C)N[C@H](C)c1cc([N+](=O)[O-])ccc1O	273433951	WMVBLMSQFMATJV-RKDXNWHRSA-N	281.312	1.476	10	20	CDCD	
CN(CCCCCO)C(=O)/C=C/c1ccc(O)c(O)c1	279571489	RIBHMXZZUAWSQY-SOFGYWHQSA-N	279.336	1.732	10	20	CDCD	
CCN(CCCO)CC(=O)NCc1ccc(N(C)C)cc1	270689162	BNHAXDPIULMRFF-UHFFFAOYSA-N	293.411	1.073	10	20	CDCD	
C[C@H](O)CCCNC(=O)/C=C/c1ccc(O)c(O)c1	279189345	UBMAGZNSTYMPTR-STUBTGCMSA-N	265.309	1.388	10	20	CDCD	
COC[C@H]1CCCN(C(=O)c2c(F)ccc(O)c2O)C1	276529293	DRJRKMFLDPBLGT-VIFPVBQESA-N	283.299	1.736	10	20	CDCD	
C[C@@H](NCc1cncn1C)c1cc([N+](=O)[O-])ccc1O	289682755	HTUZJJIAKOUYGJ-SECBINFHSA-N	276.296	1.885	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@@]1(F)CCNC1	370798106	IMIKEQRZKILTFI-CYBMUJFWSA-N	252.289	1.052	10	20	CDCD	
CCOc1ccc(O)c(CN2CC[C@@](C)(C(=O)NC)C2)c1	281202913	TTXJRMPESPJDHE-MRXNPFEDSA-N	292.379	1.749	10	20	CDCD	
CC[C@H](C)CONC(=O)c1c(F)ccc(O)c1O	295244059	FAAJHGDGYBRWBZ-ZETCQYMHSA-N	257.261	1.944	10	20	CDCD	
O=C(c1c(F)ccc(O)c1O)N1CCC(CCCO)CC1	295742276	YHJKRVCMRGROPI-UHFFFAOYSA-N	297.326	1.862	10	20	CDCD	
COc1ccc(CNC2CC(NS(C)(=O)=O)C2)cc1C	800890794	SQLIJXSEWLPYSY-UHFFFAOYSA-N	298.408	1.173	10	20	CDCD	
CC(C)OC[C@@H](CO)N(C)Cc1cc2c(cc1O)OCO2	809768555	OMUQAXCAKWQIDM-GFCCVEGCSA-N	297.351	1.339	10	20	CDCD	
Cc1nonc1CNCc1cc(Cl)cc([N+](=O)[O-])c1O	809744756	BLCDMKCYKAPDMT-UHFFFAOYSA-N	298.686	1.935	10	20	CDCD	
CC(=O)C(=O)COC(=O)c1cc(Cl)cc(Cl)c1N	808487396	JDDRTMYDDAVXPB-UHFFFAOYSA-N	290.102	1.891	10	20	CDCD	
CNCCCN[C@H](C)c1cc([N+](=O)[O-])ccc1O	817939276	BVUMMJCUDWNTFD-SECBINFHSA-N	253.302	1.561	10	20	CDCD	
CCNC(=O)CN(C)Cc1ccc(N(C)C)c(C)c1	815021711	SSRCEZBUTCIYTP-UHFFFAOYSA-N	263.385	1.629	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@@H]2CC[C@H]2O)c1	818358311	UHAFIMZKCSJFEK-RLCGTCKNSA-N	265.309	1.353	10	20	CDCD	
CN1CCCc2cc(CNC(=O)N[C@@H]3CC[C@H]3O)ccc21	824265685	LSIRFDVZGQMRJA-UKRRQHHQSA-N	289.379	1.392	10	20	CDCD	
COc1cc(O)c(CNC[C@@H](CO)CC2CC2)cc1OC	827359881	UYOXTTKFGPVCEA-LBPRGKRZSA-N	295.379	1.908	10	20	CDCD	
CN(C)c1ccc([C@H](CN[C@@H]2CCC[C@H]2N)N(C)C)cc1	902519251	YLGCVVCCQXLAQQ-ZACQAIPSSA-N	290.455	1.825	10	20	CDCD	
O=C(O)[C@]1(C(=O)NCc2c(O)cccc2F)CC=CCC1	902853028	HCMLXRHSSIFCTK-OAHLLOKOSA-N	293.294	1.959	10	20	CDCD	
CCC[C@H](O)CCNC(=O)/C=C\c1ccc(O)c(O)c1	832660791	GJGDDNGTLWBLAO-HWPRWLFBSA-N	279.336	1.778	10	20	CDCD	
OC[C@@H](N[C@H]1CCc2cccc(O)c21)C1CCOCC1	834761959	WJLOSYVPVVFREP-UONOGXRCSA-N	277.364	1.757	10	20	CDCD	
COc1ccc(N(CC2CC2)CC2(CO)COC2)cc1	831588283	WTSDKLLPJKHNHR-UHFFFAOYSA-N	277.364	1.921	10	20	CDCD	
COc1ccc(N(Cc2nc(O)n[nH]2)CC2CC2)cc1	831587529	DCUOBBIFXXKVAR-UHFFFAOYSA-N	274.324	1.936	10	20	CDCD	
CCc1nc(CNC(=O)c2cc(O)cs2)n[nH]1	832976232	YXDSQWFDQXBKLD-UHFFFAOYSA-N	252.299	1.064	10	20	CDCD	
CCN(CC(=O)NC(=O)NC1CC1)c1ccc(OC)cc1	746109491	QVEYAYCMNRFRBV-UHFFFAOYSA-N	291.351	1.510	10	20	CDCD	
COCCN1C(=O)C2(CC2)N[C@H]1c1cc(F)ccc1O	840837916	OUTUGUSQCFSGID-GFCCVEGCSA-N	280.299	1.141	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)CCCC(=O)O	844254568	WIGVUYAGGYGVLE-UHFFFAOYSA-N	278.352	1.932	10	20	CDCD	
CCN1CCO[C@@H](C(=O)NCc2cc(Cl)ccc2O)C1	846476792	QOLIQUBZIWRCFA-CYBMUJFWSA-N	298.770	1.383	10	20	CDCD	
COC(=O)[C@H]1C[C@@H](O)CN(Cc2cccc(C)c2O)C1	843434112	HTSCBRAVPCBCCE-QWHCGFSZSA-N	279.336	1.056	10	20	CDCD	
CC[C@]1(CO)CCCN1C(=O)NCCc1ccc(N)cc1	841959755	QKDMVQKHEGPJGA-MRXNPFEDSA-N	291.395	1.758	10	20	CDCD	
Oc1ccc(Cl)cc1CNC[C@@H]1CNCCCO1	841087316	UNDZPRFRDSXOPQ-LBPRGKRZSA-N	270.760	1.514	10	20	CDCD	
CCn1ccc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)n1	843850703	HIYUNBAUZHRLFI-JTQLQIEISA-N	289.335	1.675	10	20	CDCD	
CC(C)(C(=O)NCc1ccccc1O)n1ccc(N)n1	852882759	ANHSXEWDSJVFJO-UHFFFAOYSA-N	274.324	1.222	10	20	CDCD	
CC[S@@](=O)CCNCc1cc(F)c(N(C)C)cc1F	858132885	HICDSCGCSCNJSL-LJQANCHMSA-N	290.379	1.889	10	20	CDCD	
CN(C)c1cc(F)c(CNCCOCCO)cc1F	858087449	FVTPWZVBEFAPTO-UHFFFAOYSA-N	274.311	1.129	10	20	CDCD	
C[C@H](N[C@H](C)C[S@](C)=O)c1cc([N+](=O)[O-])ccc1O	757656687	LJOIBFVZNDFYFN-MGOSUKFUSA-N	286.353	1.718	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCC[C@@H]1c1ncon1	854580409	MJJQGDQSWOUPQL-MRVPVSSYSA-N	265.294	1.814	10	20	CDCD	
C[C@H](NC[C@H](C)S(C)(=O)=O)c1cc(F)ccc1O	697579643	HGDDKYOEGOTNFJ-IUCAKERBSA-N	275.345	1.615	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@H]2CCC[C@H](C(N)=O)C2)c1	862756942	BDUFQFWLGKENQH-RYUDHWBXSA-N	290.363	1.609	10	20	CDCD	
COC(=O)C[C@]1(NCc2ccc3c(c2)CCO3)CCOC1	766468764	MKLIXNWDMSFJDU-MRXNPFEDSA-N	291.347	1.433	10	20	CDCD	
C[C@H](NC[C@H]1C[C@H](O)C1)c1cc([N+](=O)[O-])ccc1O	872127513	WMBCJXXXKRWJNC-QXEWZRGKSA-N	266.297	1.722	10	20	CDCD	
CCN[C@H](C)C(=O)NCc1ccc(N2CCCC2)cc1	876727753	BINGFSDOXNPWNU-CYBMUJFWSA-N	275.396	1.901	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)CNC(C)(C)C)c1	1116407139	ISYXOMHDJKEXCX-SNVBAGLBSA-N	280.368	1.966	10	20	CDCD	
Cc1cccc(O)c1CNCc1nc(N(C)C)no1	877410372	DEGWMEAZUAJMRZ-UHFFFAOYSA-N	262.313	1.439	10	20	CDCD	
COC(=O)[C@H](COC(C)C)N(C)Cc1cc(F)ccc1O	779033845	OUGOUSBKJQRUFZ-ZDUSSCGKSA-N	299.342	1.930	10	20	CDCD	
CCCCN(C)CCNC(=O)/C=C\c1ccc(O)c(O)c1	779516745	HJGNLMKFJGNYAK-VURMDHGXSA-N	292.379	1.959	10	20	CDCD	
Nc1ccc(NC(=O)C(=O)N2CCC[C@@H](CF)C2)cc1	883614727	PKWOTWJDKGTYMY-JTQLQIEISA-N	279.315	1.415	10	20	CDCD	
COCC[C@H](CO)NCc1cc(C)cc(OC)c1O	894653171	QKGALYFOOYFWBK-GFCCVEGCSA-N	269.341	1.196	10	20	CDCD	
COC(=O)[C@@H](NCc1cc(F)cc(F)c1O)C1CC1	894537323	COACVYULIPMQKS-NSHDSACASA-N	271.263	1.712	10	20	CDCD	
OC[C@@]12C[C@H]1CN(Cc1cc(F)cc(F)c1O)C2	894535469	UCOAGYDVHWYMIJ-ZANVPECISA-N	255.264	1.485	10	20	CDCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N1C[C@@H]2C[C@H]1CN2	891588486	CYBSZLBBYPWSDP-HOCLYGCPSA-N	298.390	1.319	10	20	CDCD	
COc1ccc(CNC(=O)NCc2cc[nH]n2)c(O)c1	792873433	SBZYGAKRYSFXDE-UHFFFAOYSA-N	276.296	1.123	10	20	CDCD	
COc1cncc(C(=O)NCc2cccc(OC)c2O)n1	790787388	CYRPGWJUTVZGEE-UHFFFAOYSA-N	289.291	1.129	10	20	CDCD	
C[C@@H](NC(=O)NCCF)c1ccc(N2CCOCC2)cc1	798061124	VCEALKLFAYHWAO-GFCCVEGCSA-N	295.358	1.853	10	20	CDCD	
Cc1nn(C)c(C)c1CNC(=O)Cc1ccc(N)cc1	82698954	ZRORZQKRUSGDMK-UHFFFAOYSA-N	272.352	1.478	10	20	CDCD	
CC(C)N1CCN(C(=O)NCc2ccc(N)cc2)CC1=O	1262603878	XUWLSAOWRNUFPC-UHFFFAOYSA-N	290.367	1.031	10	20	CDCD	
C[C@@H]1CN(Cc2ccc(N)cc2)CCS(=O)(=O)C1	1345159520	JPNCKXHCPSKTMT-LLVKDONJSA-N	268.382	1.135	10	20	CDCD	
Cc1ccc(O)c(CNS(=O)(=O)C[C@H]2CCCCO2)c1	1351393776	IUKWTHCCPYPZGJ-CYBMUJFWSA-N	299.392	1.689	10	20	CDCD	
Cc1ccc(C(=O)OCC2(C(=O)O)CC2)c(O)c1O	1600365237	HWOYCYCHINFTOK-UHFFFAOYSA-N	266.249	1.428	10	20	CDCD	
O=C(O)C[C@@]1(NCc2cc(F)ccc2O)CCCOC1	1601936505	VOBSBYPHLFNSSO-AWEZNQCLSA-N	283.299	1.645	10	20	CDCD	
C[C@H](NC1COCCOC1)c1cc(C(=O)O)ccc1O	1604328844	GJVGMUHHBYOGCE-VIFPVBQESA-N	281.308	1.156	10	20	CDCD	
O=C(O)[C@@H]1[C@H](O)CCCN1Cc1cc(F)c(F)cc1O	1608597769	YQNZDFINMRJWRL-PWSUYJOCSA-N	287.262	1.080	10	20	CDCD	
Cc1cc(CN[C@@]2(CC(=O)O)CCOC2)ccc1N(C)C	1607647910	KPICDVVWMHCZEM-MRXNPFEDSA-N	292.379	1.784	10	20	CDCD	
COc1cccc(O)c1CN1CCO[C@@H](CC(=O)O)C1	1610356962	RXQPOGNTEMKGTR-JTQLQIEISA-N	281.308	1.076	10	20	CDCD	
CCN1CCCc2cc(CNCCOCC(=O)O)ccc21	1776875560	PQSQTLDYTXZKHY-UHFFFAOYSA-N	292.379	1.650	10	20	CDCD	
CCc1cccc(CNC[C@H]2CCCS(=O)(=O)C2)c1O	848912596	STYKZQKDIFXECT-GFCCVEGCSA-N	297.420	1.869	10	20	CDCD	
C[C@@H](CS(C)(=O)=O)NCc1ccc2c(c1)CCCO2	921739314	ZZYIRVPHUHHITO-NSHDSACASA-N	283.393	1.534	10	20	CDCD	
C[C@H](CNCc1ccc2c(c1)CCCO2)S(C)(=O)=O	921931700	AYIYSVRZYIBZNY-LLVKDONJSA-N	283.393	1.534	10	20	CDCD	
CN(CCCn1ccnc1)C(=O)Cc1ccc(N)cc1	831406822	UIWJCYBRDBNWHE-UHFFFAOYSA-N	272.352	1.557	10	20	CDCD	
O=C(Nc1cccc(CO)c1)c1cccc(O)c1O	126614281	LRNYFRFMBVUKBK-UHFFFAOYSA-N	259.261	1.842	10	20	CDCD	
CC(C)CN1CCN(C(=O)Cc2ccc(N)cc2)CC1	37821684	PEQGREQESOBEKC-UHFFFAOYSA-N	275.396	1.612	10	20	CDCD	
Cc1ccc([C@H](C)NCC2(S(C)(=O)=O)CC2)c(O)c1	280933040	IGJJYXXIYKPYOF-NSHDSACASA-N	283.393	1.928	10	20	CDCD	
COC(=O)N1CCN(Cc2cccc(C)c2O)CC1	387354819	SVFYJKWYBWJBLS-UHFFFAOYSA-N	264.325	1.585	10	20	CDCD	
COc1ccc(O)c([C@H](C)N[C@H]2CCNC(=O)CC2)c1	396729239	COTRUJLGIVJINC-WDEREUQCSA-N	278.352	1.720	10	20	CDCD	
CN(C)C1(CNCc2cc3c(cc2O)OCO3)CC1	397998090	RFZZNLYJQRKKIK-UHFFFAOYSA-N	264.325	1.305	10	20	CDCD	
COc1cccc(CNC(=O)[C@@H](NC(C)=O)C(C)C)c1O	105652403	QZAXVWCLXNLXQM-ZDUSSCGKSA-N	294.351	1.178	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)[C@H]1CCS(=O)(=O)C1	171119431	USJZOXPAVJSMOJ-HNNXBMFYSA-N	296.436	1.762	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H]2CCCO2)c1	171409039	ZAHOHABRPVWIPQ-JQWIXIFHSA-N	294.351	1.940	10	20	CDCD	
COc1ccc(O)c(CN2CCCC3(C2)OCCO3)c1	182079356	FBOQOXVGNHAPJH-UHFFFAOYSA-N	279.336	1.740	10	20	CDCD	
CC[C@@H](NC[C@H]1COCCO1)c1ccccc1O	38060225	VOUZJJOSIHZPBA-WCQYABFASA-N	251.326	1.848	10	20	CDCD	
CC1(CO)CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1	183680534	ZGRGYXHTMFLRJB-HWKANZROSA-N	291.347	1.732	10	20	CDCD	
Cc1ccc(C(=O)NCc2c(C)nn(C)c2C)c(O)c1O	182527369	PPGUALFWARCRPN-UHFFFAOYSA-N	289.335	1.687	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)CSCC(N)=O	136977620	HDCNMGNUHYKRBS-UHFFFAOYSA-N	296.392	1.349	10	20	CDCD	
CN1CCC[C@H]2CN(C(=O)Cc3ccc(N)cc3)CC[C@H]21	227327107	QNLADLBAYLKDCT-GOEBONIOSA-N	287.407	1.754	10	20	CDCD	
CNCC(=O)N(C)Cc1ccc(N2CCCCC2)cc1	40855910	WQAJGZDBPDEFDA-UHFFFAOYSA-N	275.396	1.855	10	20	CDCD	
Cc1ccc(C(=O)NC[C@@H]2CC[C@@H](O)C2)c(O)c1O	191344068	ASFMCGCUAFODBD-NXEZZACHSA-N	265.309	1.297	10	20	CDCD	
CCCC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(N)cc1	236690366	LFHCSDBDBJJNSZ-GFCCVEGCSA-N	293.392	1.909	10	20	CDCD	
Cc1ccc(C(=O)NC[C@@H](O)C(F)(F)F)c(O)c1O	272723063	HTFRHTPBXKNXQV-SSDOTTSWSA-N	279.214	1.059	10	20	CDCD	
CCCCN(Cc1ccccc1O)C(=O)Cn1cnnn1	282373909	CHLWVGHBAGUVTG-UHFFFAOYSA-N	289.339	1.208	10	20	CDCD	
CNC(=O)[C@]1(C)CCN(Cc2cc(C)c(C)cc2O)C1	280468151	YFTWUBJCDDKZAF-MRXNPFEDSA-N	276.380	1.967	10	20	CDCD	
CNC(=O)CCN(Cc1ccc(N(C)C)cc1)C1CC1	299218819	YLBRIGJPIAOBMW-UHFFFAOYSA-N	275.396	1.853	10	20	CDCD	
O=C(COCc1ccccn1)NCc1ccccc1O	806718125	UADQHGSLORXCRE-UHFFFAOYSA-N	272.304	1.620	10	20	CDCD	
CC(=O)C(=O)CSc1ccc([N+](=O)[O-])cc1F	808033514	LMXKPWKYAZGCHY-UHFFFAOYSA-N	257.242	1.984	10	20	CDCD	
OC[C@H](CN[C@H]1CCc2cccc(O)c21)[C@H]1CCOC1	296444653	MUULYGPEWLEGFQ-IHRRRGAJSA-N	277.364	1.614	10	20	CDCD	
CCOC(C)(C)CNC(=O)c1c(F)ccc(O)c1O	295323926	OJRJQNDHTGMADM-UHFFFAOYSA-N	271.288	1.782	10	20	CDCD	
COC(=O)c1cnoc1COC(=O)c1cccc(O)c1O	803440589	PFMHJINTRXKKJD-UHFFFAOYSA-N	293.231	1.229	10	20	CDCD	
COC[C@@](C)(NCc1ccc(N(C)C)c(C)c1)C(=O)OC	815081320	ZEECVFWOBVFWGU-MRXNPFEDSA-N	294.395	1.729	10	20	CDCD	
COc1cccc(O)c1CN1C[C@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1	824839427	YSMRLLCPTAZNHW-OXUXUCFPSA-N	273.332	1.786	10	20	CDCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CC(=O)N1	822898083	ICDLEPBUZDOZLJ-CQSZACIVSA-N	289.379	1.378	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)CSCC(=O)O)c1	739924587	BXAVEXWRCITRII-QMMMGPOBSA-N	299.348	1.396	10	20	CDCD	
C[C@@H]1C[C@@H](CNC(=O)c2c(F)ccc(O)c2O)[C@@H](C)O1	839844392	GVCPMUPYDCNALH-HLTSFMKQSA-N	283.299	1.780	10	20	CDCD	
CCOc1cccc(CNC[C@@]2(C)CCC(=O)N2)c1O	835060053	IFEOKEMIMMYJGC-OAHLLOKOSA-N	278.352	1.549	10	20	CDCD	
Nc1ccc(Cc2noc(CN3CCCCC3=O)n2)cc1	843159298	OQDVWBSKKLIDMI-UHFFFAOYSA-N	286.335	1.755	10	20	CDCD	
CCNC(=O)CN(C)Cc1ccc(N(C)C)cc1C	840910057	DYNNYJYCTAYYHM-UHFFFAOYSA-N	263.385	1.629	10	20	CDCD	
Cc1noc(CN(C)c2ccc(OCC(=O)O)cc2)n1	846280230	VPVARVXDMIRRDF-UHFFFAOYSA-N	277.280	1.478	10	20	CDCD	
Nc1ccc(CCNC(=O)N[C@H]2CCCOCC2)cc1	841869912	DYYPELRQFLEAQJ-AWEZNQCLSA-N	277.368	1.680	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H](C(=O)O)C(C)C)c1	843329099	WPBLIEYXLVPCIC-ZANVPECISA-N	295.335	1.935	10	20	CDCD	
Cn1nnc2c1CC[C@@H](N[C@@H]1CCc3cccc(O)c31)C2	848563896	YQSYFAFCKARMIU-VXGBXAGGSA-N	284.363	1.655	10	20	CDCD	
COCCN1CC[C@@H](N[C@@H](C)c2cccc(OC)c2O)C1	846145183	LVGVCPSQQDNOHB-QWHCGFSZSA-N	294.395	1.772	10	20	CDCD	
CCOc1cccc(CNC[C@@H]2CCCN2)c1O	841036054	NQTNYKKUQDRVEI-LBPRGKRZSA-N	250.342	1.633	10	20	CDCD	
CCCC[C@H](CN)NCc1cc2c(cc1O)OCO2	841029230	MVKZDSKSPMRWFS-LLVKDONJSA-N	266.341	1.728	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)N[C@H]2CCCNC2)c1	841943588	RLCCJCFNOUUYIX-MNOVXSKESA-N	293.367	1.513	10	20	CDCD	
C[C@H](CO)C1CCN(C(=O)c2c(F)ccc(O)c2O)CC1	846660917	JYFLCJZIUSWDJR-SECBINFHSA-N	297.326	1.718	10	20	CDCD	
O=C(CNCC(F)(F)F)NCc1cc(Cl)ccc1O	846472164	HWMYPSBWWLWLCZ-UHFFFAOYSA-N	296.676	1.814	10	20	CDCD	
C[C@@H]1CSCCN(C(=O)C(=O)Nc2ccc(N)cc2)C1	841117467	VMLNMYIEDUXVPO-JTQLQIEISA-N	293.392	1.419	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2COC[C@H]2C)c1	926002975	FDSVMUXAKVWHBS-NRUUGDAUSA-N	294.351	1.796	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)NC[C@@](C)(O)C2CC2)c1	756570591	WSCJUJRPTKFOKT-MGPLVRAMSA-N	293.363	1.990	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N=S1(=O)CCCC1	925913989	NFERBUCPIITZML-XQRVVYSFSA-N	281.333	1.899	10	20	CDCD	
C[C@H](NC(=O)N[C@H]1C[C@H](O)C1)c1ccc(N(C)C)cc1	854005194	PCQANYKUFIGDNH-JKOKRWQUSA-N	277.368	1.636	10	20	CDCD	
COC[C@@](C)(CC(=O)OC)NCc1cc(OC)ccc1O	757926791	OOYFNTSQGKWYTR-OAHLLOKOSA-N	297.351	1.459	10	20	CDCD	
CCOC(=O)[C@H](C)CNC(=O)c1cc(O)cs1	752815908	OXJBWRYBAYYRBA-SSDOTTSWSA-N	257.311	1.383	10	20	CDCD	
COc1ccc2c(c1)CCCN2CC1(CO)COC1	756782696	JUCUWCJKTPPWKO-UHFFFAOYSA-N	263.337	1.457	10	20	CDCD	
CN(CC1(O)CCC1)C(=O)/C=C/c1ccc(O)c(O)c1	760074118	SGRUVTYZRGEPGO-GQCTYLIASA-N	277.320	1.484	10	20	CDCD	
CN(C)c1cc(F)c(CN[C@@H]2C(=O)NCC2(C)C)cc1F	864052388	JQWCKVLHDSILJI-CYBMUJFWSA-N	297.349	1.645	10	20	CDCD	
COc1cccc(O)c1CN1CC[S@](=O)C[C@H](C)C1	763646834	COYWJUMGMHMFED-WYRIXSBYSA-N	283.393	1.601	10	20	CDCD	
CCOC1CC(O)(CNCc2ccc(C)cc2O)C1	877480481	XAHAQZPEJXJOSL-UHFFFAOYSA-N	265.353	1.720	10	20	CDCD	
CCOc1cccc(CN[C@H]2C[C@H](C(=O)O)C2)c1O	874053389	HTPNFGMCYXTCGW-XYPYZODXSA-N	265.309	1.744	10	20	CDCD	
Cc1nccn1CCNC(=O)/C=C\c1ccc(O)c(O)c1	779511243	RXCSNPQDLOZNTO-HYXAFXHYSA-N	287.319	1.432	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1nccs1	772542675	XZVDZBSXPFSVIT-QMMMGPOBSA-N	278.333	1.915	10	20	CDCD	
Cc1cccc(O)c1CN(C)[C@@H](C)CN1CCOCC1	877485144	MAMRMMVXGCCAGX-AWEZNQCLSA-N	278.396	1.853	10	20	CDCD	
Cc1[nH]nc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1O	775401972	AAUXDKXJBSWAAV-VIFPVBQESA-N	288.351	1.981	10	20	CDCD	
CCOc1ccc(CN2CCC[C@@H](C(N)=O)C2)c(O)c1	771933076	BUWCPHPHZOGPCZ-GFCCVEGCSA-N	278.352	1.488	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCSC1	773750411	GMGFWNLXONMSKJ-GXSJLCMTSA-N	281.377	1.898	10	20	CDCD	
CCC[C@H]1C(=O)NCCN1Cc1ccc(C)cc1O	876781030	IQXRJDDEBRTZAE-ZDUSSCGKSA-N	262.353	1.801	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CCc2n[nH]cc2C1	779494337	YHODUTPMLOJVJF-DUXPYHPUSA-N	285.303	1.419	10	20	CDCD	
COc1ccc(CNS(=O)(=O)c2cccs2)c(O)c1	795358402	OUYOWPDIJILTSN-UHFFFAOYSA-N	299.373	1.941	10	20	CDCD	
COc1ccc(N2CCN(C(=O)C[C@H](C)N)CC2)cc1	37607255	NKPVLDLQCYZYLE-LBPRGKRZSA-N	277.368	1.081	10	20	CDCD	
O=C(O)CCNCc1c(O)cccc1Br	706674374	RFGWWDQHMQLJPL-UHFFFAOYSA-N	274.114	1.719	10	20	CDCD	
Oc1cc2c(cc1CN1CCC[C@@H]3COC[C@@H]31)OCO2	690781330	MIDYLTBTLMGZBI-PWSUYJOCSA-N	277.320	1.732	10	20	CDCD	
COc1cccc(CNC(=O)[C@H]2CCC[C@@H]2OC)c1O	1335820766	OXFFOROPXZLRLM-RYUDHWBXSA-N	279.336	1.832	10	20	CDCD	
Nc1ccc(CNC(=O)N2CCCC[C@@H]2CCO)cc1	1335724652	HSNAAPMAVQIVNO-CQSZACIVSA-N	277.368	1.715	10	20	CDCD	
Cc1nnc(NCCc2ccc(O)c(O)c2)nc1C	772663286	GGFRLNOPEKEIIW-UHFFFAOYSA-N	260.297	1.554	10	20	CDCD	
NCCCOC1CCN(Cc2ccccc2O)CC1	94070178	XGNZQSKAFREECY-UHFFFAOYSA-N	264.369	1.722	10	20	CDCD	
COCC1CN(C(=O)NCc2ccc(N(C)C)cc2C)C1	1346294687	AUFXFUUSHIZQKT-UHFFFAOYSA-N	291.395	1.849	10	20	CDCD	
C[C@H](C(=O)NCCc1ccc(N)cc1)n1ccnc1	1346089295	OPQMUWABZIADBE-LLVKDONJSA-N	258.325	1.385	10	20	CDCD	
C[C@H](NC[C@@]1(O)CCO[C@@H]1C)c1cc(C(=O)O)ccc1O	1609780695	VFWLVRJPWAWINH-WMFXKJRFSA-N	295.335	1.281	10	20	CDCD	
Cn1c(C(=O)O)ccc1C(=O)NCc1ccc(O)c(O)c1	1610596642	WOQKSRKIJQGETQ-UHFFFAOYSA-N	290.275	1.065	10	20	CDCD	
CCNC(=O)[C@@H](C)N[C@H](C)c1cc(C(=O)O)ccc1O	1610006969	DCTBMLNBEXEFHP-RKDXNWHRSA-N	280.324	1.266	10	20	CDCD	
O=C(O)c1ccc(C(=O)NCCc2ccc(O)c(O)c2)[nH]1	1610822424	IJAAOYIZRBGBAW-UHFFFAOYSA-N	290.275	1.097	10	20	CDCD	
CCOC(=O)[C@](C)(O)CN(C)Cc1ccccc1O	274660483	PHNNBENVYYSOFI-CQSZACIVSA-N	267.325	1.138	10	20	CDCD	
O=C(N[C@@H]1CC[C@H]2CCN[C@H]1C2)c1c(F)ccc(O)c1O	1580609757	UFFSZXGVNWRATM-GDPRMGEGSA-N	294.326	1.497	10	20	CDCD	
CC[C@H](N[C@H]1C[C@H](O)C1)c1cccc(-c2nn[nH]n2)c1O	1590471378	DEPSOBIPNPSUFQ-AUTRQRHGSA-N	289.339	1.136	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2c[nH]c(C(=O)O)c2)c1	1599598159	GXZJLRKAPKZBAB-UHFFFAOYSA-N	290.275	1.357	10	20	CDCD	
COc1ccc(O)c(CNC(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)c1	153585896	ODEHWRJFSMLJLH-BZPMIXESSA-N	292.335	1.520	10	20	CDCD	
O=C(NCc1ccccc1O)c1c(O)cccc1O	220235966	DZCSKUGYINTWRO-UHFFFAOYSA-N	259.261	1.733	10	20	CDCD	
CC(C)(C)C[C@@H](CO)NC(=O)c1cccc(O)c1O	185877642	SENOVQPQHXGVQP-VIFPVBQESA-N	267.325	1.625	10	20	CDCD	
CN(C)c1ccc(C(=O)NCc2ccccc2O)cn1	701184136	OHDRAUILOIAHJH-UHFFFAOYSA-N	271.320	1.783	10	20	CDCD	
O=C(NCc1ccccc1O)[C@@H]1CNCCC1(F)F	717384846	UMDAGSGYDGKAIL-JTQLQIEISA-N	270.279	1.253	10	20	CDCD	
CCN1C[C@@H](N[C@H](C)c2cc(OC)ccc2O)CC1=O	391544662	PNNJKZRFNJSOJB-MNOVXSKESA-N	278.352	1.672	10	20	CDCD	
Cc1cc(CC(=O)NCCc2ccc(N)cc2)no1	179042390	KVAVJGNWWQLETQ-UHFFFAOYSA-N	259.309	1.467	10	20	CDCD	
C[C@@H](CC[S@@](C)=O)NCc1ccc2c(c1)CCO2	122754358	FPOOSGTWBWQBEB-VOJFVSQTSA-N	267.394	1.868	10	20	CDCD	
COCCC(=O)N1CCOc2cc(N(C)C)ccc21	173190365	NIJZPZHRHKKZSZ-UHFFFAOYSA-N	264.325	1.515	10	20	CDCD	
CCCN(C(=O)Cc1ccc(N)cc1)C1CCNCC1	236802646	FYIJDHCCJCBZAI-UHFFFAOYSA-N	275.396	1.802	10	20	CDCD	
COc1ccc(O)c(CNC(=O)Cc2ccoc2)c1	184986394	OJPUKAFILWRKQC-UHFFFAOYSA-N	261.277	1.853	10	20	CDCD	
COc1cccc(CN[C@H]2C(=O)NCC[C@H]2C)c1O	193682007	REFZCPCITHNIOL-BXKDBHETSA-N	264.325	1.015	10	20	CDCD	
O=C(NCCCCO)NCCCSc1nccs1	194509138	IWCDHTCETOBREZ-UHFFFAOYSA-N	289.426	1.697	10	20	CDCD	
COc1cccc(CNCC[C@H](C)CCO)c1O	295112554	LWWFDCSEXPUOLU-NSHDSACASA-N	253.342	1.899	10	20	CDCD	
C[C@@H]1C[C@@H](NC[C@@H]2COCCN2)c2c(O)ccc(F)c21	530222000	FLKUPMQSUGYZLY-CKYFFXLPSA-N	280.343	1.658	10	20	CDCD	
CC[C@H]1CC[C@@H](C(=O)NCc2cccc(OC)c2O)O1	268221796	JPMKMFVJIVGATB-AAEUAGOBSA-N	279.336	1.975	10	20	CDCD	
CCC(CC)(CO)NCc1cc([N+](=O)[O-])ccc1O	265247854	NOLQAWWXXGPLTH-UHFFFAOYSA-N	268.313	1.941	10	20	CDCD	
CCC[C@](C)(O)CNCc1cc([N+](=O)[O-])ccc1O	264883912	VEZRQTIWIHCVHE-ZDUSSCGKSA-N	268.313	1.941	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@H](C)CCCO)c1	273611075	VWVBSVRHXDHXHO-MNOVXSKESA-N	281.352	1.990	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)NCCC(C)(C)O	274867341	CLUDPZSBTNEIOB-UHFFFAOYSA-N	266.341	1.695	10	20	CDCD	
O=C1CCC[C@H]1[C@@H]1COCCN1Cc1ccccc1O	365277257	INIBYCNEEZERTL-KBPBESRZSA-N	275.348	1.962	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@H](CO)C(C)C)c1O	278463912	FTOVKNWCIPHLOE-SNVBAGLBSA-N	284.312	1.416	10	20	CDCD	
COc1cc(O)c(CN[C@@H](C)[C@H]2CCOC2)cc1OC	271811179	KUBNBDIFRWDNJB-QWRGUYRKSA-N	281.352	1.924	10	20	CDCD	
CN(C)c1ccc(CNC[C@H](CO)[C@@H]2CCOC2)cc1	280427334	ZXKLBPQYOIJJHP-HUUCEWRRSA-N	278.396	1.487	10	20	CDCD	
Cc1cc(CN2CC[C@@H](CO)[C@@H](O)C2)ccc1N(C)C	815101181	PQIWKEVBVOMYGM-HOCLYGCPSA-N	278.396	1.236	10	20	CDCD	
C[C@H](NCCN1CCNCC1)c1cc(Cl)ccc1O	817944787	MDXZRIIYAYFDBB-NSHDSACASA-N	283.803	1.601	10	20	CDCD	
Cn1cc(Cl)c(CNCc2cc([N+](=O)[O-])ccc2O)n1	824757962	CDABCHDBNRLNJR-UHFFFAOYSA-N	296.714	1.977	10	20	CDCD	
Cc1cc(O)c(CN[C@H]2C(=O)NCC[C@@H]2C)cc1Cl	825773619	LVHHEEDIWIBTBA-ISVAXAHUSA-N	282.771	1.968	10	20	CDCD	
Cn1ccc(C(=O)COC(=O)c2cc(O)cs2)c1	732353786	VLJUDAFSALMDNN-UHFFFAOYSA-N	265.290	1.832	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)CCNC(=O)O	737106006	JKZXKPGXXYPRGM-UHFFFAOYSA-N	293.367	1.759	10	20	CDCD	
CN(C)CCn1cc(COc2ccc(N)cc2)nn1	864623457	KPLFOZVHNKSGSN-UHFFFAOYSA-N	261.329	1.001	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCCCC[C@@H]1CO	911950505	FMJWIMBGCPSDBL-SECBINFHSA-N	255.339	1.831	10	20	CDCD	
CCOc1ccc(CNC[C@@]2(C)CCC(=O)N2)c(O)c1	835060877	OQUJCOOMKJXQFR-OAHLLOKOSA-N	278.352	1.549	10	20	CDCD	
C[C@@H](NC(=O)N1CC[C@@H](N)C1)c1ccc(N(C)C)cc1	841881609	AGOGXVOIGHIEPP-DGCLKSJQSA-N	276.384	1.556	10	20	CDCD	
O=C(NCc1ccccc1O)Nc1cnc2c(c1)CNCC2	841321547	KVZIUUGGOLREJL-UHFFFAOYSA-N	298.346	1.755	10	20	CDCD	
CCO[C@@H]1COC[C@H]1NCc1ccc(N(C)C)cc1C	840952246	XRXXKNYGGYZCKY-HZPDHXFCSA-N	278.396	1.955	10	20	CDCD	
Nc1ccc(NC(=O)[C@@H]2CCc3ncncc3C2)cc1	843291867	CVHFPQHTKXDLGN-SNVBAGLBSA-N	268.320	1.802	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@@H](C(=O)O)C1CC1	852951022	AXFVFBNPDNVINI-AWEZNQCLSA-N	290.363	1.788	10	20	CDCD	
C[C@@H]1C[C@@H](C(=O)NCCc2ccc(O)c(O)c2)CCC1=O	764849359	QHCLXVPYDXXWFM-PWSUYJOCSA-N	291.347	1.762	10	20	CDCD	
CC[C@@H](CNS(C)(=O)=O)NCc1ccc(C)cc1O	877561269	DIWZMZNHBRCFNF-LBPRGKRZSA-N	286.397	1.118	10	20	CDCD	
Cc1ccc(C(=O)OC[C@@H]2CCCO2)c(O)c1O	778112550	GSVFFZYQRTZSQD-VIFPVBQESA-N	252.266	1.742	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNCCn2cccn2)c1O	774977459	KKGFCVWBPQGTDD-UHFFFAOYSA-N	292.295	1.295	10	20	CDCD	
CN(C)c1ccc(CN2CCn3ncnc3C2)cc1F	770664031	JPDMIWNEWBQMHD-UHFFFAOYSA-N	275.331	1.499	10	20	CDCD	
COC1(OC)CC(CNC(=O)c2ccc(C)c(O)c2O)C1	1120760907	VAMFUNRXTVLKNH-UHFFFAOYSA-N	295.335	1.535	10	20	CDCD	
CCn1cc(CN2CCOc3cc(N(C)C)ccc32)nn1	887553650	JEDOPWXKEROFNT-UHFFFAOYSA-N	287.367	1.763	10	20	CDCD	
CCN(C)c1ccc(Cn2cc(Cn3cncn3)nn2)cc1	881315179	MQDPOZAWAXRRJH-UHFFFAOYSA-N	297.366	1.422	10	20	CDCD	
COc1cc(C)cc(CNCCOC[C@H]2CCCO2)c1O	894268074	AMHUHPQKDAOWKN-CQSZACIVSA-N	295.379	1.994	10	20	CDCD	
COC[C@@H]1CN(C(=O)c2cc(O)cs2)C[C@H](C)O1	784800315	ZMNNCJNJYNMBHB-WPRPVWTQSA-N	271.338	1.330	10	20	CDCD	
Cc1ccc([C@H](O)CNC(=O)c2c(F)ccc(O)c2O)o1	788308111	URTDCYFOJHMVIR-SNVBAGLBSA-N	295.266	1.602	10	20	CDCD	
CCOc1ccc(O)c(CN2C[C@H](O)C[C@@]2(C)CO)c1	895332232	TXVGMOIKYIEJLL-DOMZBBRYSA-N	281.352	1.109	10	20	CDCD	
COc1ccc(CNC(=O)c2cc(C(C)=O)c[nH]2)c(O)c1	794378155	DBYCGNYADGEYBW-UHFFFAOYSA-N	288.303	1.862	10	20	CDCD	
COc1cc(C)cc(CNC[C@@H]2CC[C@@H](O)C2)c1O	894541529	RRCHUNLQPGKVHJ-DGCLKSJQSA-N	265.353	1.960	10	20	CDCD	
CN1CCN(c2ccc(CNCCF)cc2)CC1	798087054	DKDMOSBZBOKYEK-UHFFFAOYSA-N	251.349	1.498	10	20	CDCD	
COC(=O)[C@H](C)N(C)Cc1cc(F)cc(C(C)=O)c1O	796609034	KVWKTNPARLAYFY-QMMMGPOBSA-N	283.299	1.727	10	20	CDCD	
CC[C@H](C)[C@H](N)C(=O)N[C@H](C)c1ccccc1O	870988038	DUGAERSLPCDMCJ-CWSCBRNRSA-N	250.342	1.943	10	20	CDCD	
CC[C@@H](NC[C@]1(O)CCN(C)C1)c1ccccc1O	702636417	MLGNNQPIQRSVOU-UKRRQHHQSA-N	264.369	1.500	10	20	CDCD	
CO[C@@H]1CCC[C@@H]1C(=O)NCCc1ccc(O)c(O)c1	1335854026	CQBMQQAZWILPOG-SMDDNHRTSA-N	279.336	1.572	10	20	CDCD	
Cn1cc(/C=C/C(=O)N2C[C@@H](CCN)c3ccccc32)cn1	1354511510	GKAZDCXDEFSTFU-PSKZRQQASA-N	296.374	1.913	10	20	CDCD	
C[C@H](CC(=O)O)CC(=O)N1Cc2cccc(O)c2C1	1604105133	NJPAYTKSUKMRRK-VIFPVBQESA-N	263.293	1.735	10	20	CDCD	
O=C(CSc1ncc(C(=O)O)s1)NCc1ccco1	1610672516	DGMDCILPJDJMHO-UHFFFAOYSA-N	298.345	1.843	10	20	CDCD	
COc1cc(C)c(CN[C@H]2CNCCC2(F)F)c(O)c1	1579144388	DGLSUPXDBPESMY-ZDUSSCGKSA-N	286.322	1.796	10	20	CDCD	
CO[C@H](CC(C)C)C(=O)NCc1ccc(N)cc1	1578901330	SRTVAGGFTAIFOD-CYBMUJFWSA-N	250.342	1.946	10	20	CDCD	
COc1ccc(CN[C@H]2[C@@H]3CNC[C@@H]32)cc1Cn1cccn1	1579218197	YHVKMHJQQNLZPU-QLPKVWCKSA-N	298.390	1.247	10	20	CDCD	
C[C@@H](NCC1([S@](C)=O)CC1)c1cc(C(=O)O)ccc1O	1593247210	FGZOHADBHOLWNX-YBYGRFCBSA-N	297.376	1.652	10	20	CDCD	
C[C@](O)(CNCc1c(O)ccc(Cl)c1F)CC(=O)O	1776460858	AHBQTNLHUSOZTR-GFCCVEGCSA-N	291.706	1.500	10	20	CDCD	
C[C@@H](C[S@@](C)=O)N[C@@H](C)c1cc(F)ccc1O	168869445	AXZXMKAQIQBIGX-GSRNSYJJSA-N	259.346	1.949	10	20	CDCD	
CCc1c(C(=O)N(C)Cc2ccccc2O)cnn1C	917311159	MNTKESULOKLXHS-UHFFFAOYSA-N	273.336	1.960	10	20	CDCD	
COc1ccc(O)c(CNc2ncnc3c2cnn3C)c1	172241503	FKWHLHUFRRCEDO-UHFFFAOYSA-N	285.307	1.690	10	20	CDCD	
COCCCN(C)C(=O)NCc1ccc(N(C)C)cc1	127817664	DWFJETSBJGJUIG-UHFFFAOYSA-N	279.384	1.931	10	20	CDCD	
COc1cccc(CN2CC[C@H]([C@@H](C)N)C2)c1O	126852435	RVPXCGSBIIYMAA-MNOVXSKESA-N	250.342	1.570	10	20	CDCD	
Cc1ncsc1C(=O)NCCc1ccc(O)c(O)c1	156592115	CWWLUHWWHNZOLW-UHFFFAOYSA-N	278.333	1.835	10	20	CDCD	
COCCN(C)CCNCc1cccc(Cl)c1O	124759232	CUHUOXCKVKHPRR-UHFFFAOYSA-N	272.776	1.713	10	20	CDCD	
CC(C)[C@H]1C(=O)NCCN1Cc1cc(F)ccc1O	180070423	JUBUDINVEZWAEM-ZDUSSCGKSA-N	266.316	1.488	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1C[C@H]2CC[C@@H]1O2	180862862	UGQXSBGGNSOWRA-PRTAWLFOSA-N	275.304	1.547	10	20	CDCD	
COc1cccc(CN(CC(N)=O)C(C)C)c1O	133017238	RKIIZQOPGDHKHY-UHFFFAOYSA-N	252.314	1.097	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)[C@H](C)NC(N)=O)cc1	185680104	COHUAZHUWUDYAB-NSHDSACASA-N	292.383	1.206	10	20	CDCD	
CNCC1CCN(Cc2cc(F)ccc2O)CC1	220106068	JFDVOTDVZXGUEN-UHFFFAOYSA-N	252.333	1.963	10	20	CDCD	
COc1ccc(O)c(CNCC2(O)CCCC2)c1	87015688	ZYICEEAMQAWDEX-UHFFFAOYSA-N	251.326	1.796	10	20	CDCD	
CC(C)c1noc(-c2cc(NS(C)(=O)=O)ccc2O)n1	130712127	GUSUOWBFDYFDTO-UHFFFAOYSA-N	297.336	1.937	10	20	CDCD	
C[C@H]1CN(Cc2cccc(Br)c2O)CCN1	92455011	MHZPWQRBMPFJGV-VIFPVBQESA-N	285.185	1.948	10	20	CDCD	
Cc1ccc(C(=O)NC[C@]2(O)CCSC2)c(O)c1O	271325719	YFBPANSZPBMROB-CYBMUJFWSA-N	283.349	1.004	10	20	CDCD	
COC(=O)c1cc(O)ccc1NS(=O)(=O)C1CC1	274763078	RJFUYRBGEQTDOZ-UHFFFAOYSA-N	271.294	1.083	10	20	CDCD	
COc1ccc(N2CCN(C(=O)C3(C)COC3)CC2)cc1	272755686	NOEUVAUUDCXLON-UHFFFAOYSA-N	290.363	1.380	10	20	CDCD	
O=C(NCc1c(O)ccc2c1CCCC2)c1ccncn1	275108075	FISWMWBNOBHQKQ-UHFFFAOYSA-N	283.331	1.991	10	20	CDCD	
COc1cccc(CNC(=O)N[C@H]2CCO[C@@H](C)C2)c1O	271275086	KQJIYDWSQRLVDZ-JQWIXIFHSA-N	294.351	1.768	10	20	CDCD	
COCCN1CC[C@H](N[C@H](C)c2cc(OC)ccc2O)C1	273584271	NIGJHMANOVRCLA-OLZOCXBDSA-N	294.395	1.772	10	20	CDCD	
CCN(C)c1ccc([C@@H](C)NC[C@@]2(O)CCOC2)cc1	271494023	LAJHQRNASUSJGC-CJNGLKHVSA-N	278.396	1.945	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1C[C@]12CCOC2	373479386	JBYGJKNOJKPAJM-XAGWURHQSA-N	291.347	1.572	10	20	CDCD	
Cc1nc[nH]c1C(=O)N1CCOc2cc(N(C)C)ccc21	635627640	AFWHWBREISBKOW-UHFFFAOYSA-N	286.335	1.823	10	20	CDCD	
C[C@@H](O)CN1CCN(Cc2cccc(Cl)c2O)[C@H](C)C1	281129859	YEKPLKSSWVHKDE-VXGBXAGGSA-N	298.814	1.933	10	20	CDCD	
C[C@@H](NCc1cnnn1C)c1cc([N+](=O)[O-])ccc1O	287167643	BYWUIEYTZZIRON-MRVPVSSYSA-N	277.284	1.280	10	20	CDCD	
CCOc1cccc(CNCCN2CCC2)c1O	700097538	OMOAHQLOOYIGKA-UHFFFAOYSA-N	250.342	1.586	10	20	CDCD	
CCO[C@H](C)C(=O)N1CCN(c2ccc(OC)cc2)CC1	298448903	KFJIWNQZBXWQQT-CYBMUJFWSA-N	292.379	1.769	10	20	CDCD	
Cc1ccc(C(=O)NCCC(C)(C)CO)c(O)c1O	296177628	SPBBXYJJXXPATG-UHFFFAOYSA-N	267.325	1.545	10	20	CDCD	
Cc1ccc2c(c1)/C(=C\c1cnnn1C)C(=O)N2C	811700710	PYBBBXPHZLUBDN-KPKJPENVSA-N	254.293	1.641	10	20	CDCD	
Cc1c(CNC(=O)N[C@H]2[C@@H]3CNC[C@@H]32)n(C)c2ccccc12	577071820	BHFOFILQJBDBSS-VIKVFOODSA-N	298.390	1.504	10	20	CDCD	
O=C(O)[C@H]1CCCCN1Cc1cc2c(cc1O)OCO2	821510196	COTGNRBYTXUOFW-SNVBAGLBSA-N	279.292	1.560	10	20	CDCD	
COCCOCCC(=O)N[C@H](C)c1ccccc1O	827930910	UOYLRGMZAROFDM-LLVKDONJSA-N	267.325	1.623	10	20	CDCD	
COc1cccc(CNCCc2cnc(C)cn2)c1O	835062986	YAGHNYXTSNEDPE-UHFFFAOYSA-N	273.336	1.832	10	20	CDCD	
C[C@H]1NCC[C@H]1C(=O)NCc1c(O)ccc2c1CCCC2	830597637	RLYSRFBINJGCCK-DGCLKSJQSA-N	288.391	1.885	10	20	CDCD	
Nc1ccc(CC(=O)Nc2nnc3n2CCCC3)cc1	832128821	NTUSYBRJAHKIRY-UHFFFAOYSA-N	271.324	1.378	10	20	CDCD	
CC[C@H](C)OCC(=O)NC[C@H](N)c1ccc(N(C)C)cc1	832267659	YNJRKYWMAKQIDY-WFASDCNBSA-N	293.411	1.684	10	20	CDCD	
C[C@]1(C(=O)NCc2c(O)ccc3c2CCCC3)CCNC1	830597469	KAQUZPHFDDCZTP-KRWDZBQOSA-N	288.391	1.887	10	20	CDCD	
CN1CCN(c2ccc(CNCC(F)F)cc2)CC1	839093877	YAPGDSYKALKNCP-UHFFFAOYSA-N	269.339	1.793	10	20	CDCD	
COc1cccc([C@@H](C)NCC2([S@](C)=O)CC2)c1O	846169207	YLEPSGPLXGATRU-DGIBIBHMSA-N	283.393	1.963	10	20	CDCD	
CCNC(=O)CN(C)Cc1cc(C(C)(C)C)cc(O)c1O	747073515	CJNUQACTZSRBLH-UHFFFAOYSA-N	294.395	1.963	10	20	CDCD	
CC(C)(C)CN(CCO)C(=O)NCCc1ccc(N)cc1	841957091	NMRQTJZOBYPQHW-UHFFFAOYSA-N	293.411	1.861	10	20	CDCD	
COc1cccc([C@@H](C)N[C@H](C)C(=O)N(C)C)c1O	846154269	MSYWKVYSUOLLNA-NXEZZACHSA-N	266.341	1.528	10	20	CDCD	
NCC(F)(F)CNCc1cccc(Cl)c1O	841060186	SHUAHUJKILDPED-UHFFFAOYSA-N	250.676	1.729	10	20	CDCD	
CCC(CC)(CO)C(=O)OCC(=O)c1ccc(O)c(O)c1	842107019	AEGSBFUGWMLWTJ-UHFFFAOYSA-N	296.319	1.622	10	20	CDCD	
C[C@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccc(N)cc1	840999134	CJVHEUAKYIXIOF-GXFFZTMASA-N	275.352	1.902	10	20	CDCD	
COC(=O)CCCCOC(=O)c1cccc(O)c1O	859642268	IDNIKYVVEBRGHK-UHFFFAOYSA-N	268.265	1.598	10	20	CDCD	
CCN1CCN(C(=O)c2cc(O)cs2)C[C@H]1C	754516850	YUCFBXMXBVWAFD-SECBINFHSA-N	254.355	1.620	10	20	CDCD	
CN(C)C(=O)CCCNCc1cc(F)c(N(C)C)cc1F	858112279	ARXYENLEMMFJRL-UHFFFAOYSA-N	299.365	1.989	10	20	CDCD	
CC1(C)OCC(NCc2cc([N+](=O)[O-])ccc2O)CO1	758011044	XHXSHHKSDLCNMA-UHFFFAOYSA-N	282.296	1.542	10	20	CDCD	
O=C(NCCO[C@@H]1CCCCO1)c1c(F)ccc(O)c1O	863919038	QLPDHVFJWGKUPX-LLVKDONJSA-N	299.298	1.510	10	20	CDCD	
Cc1ccc(CN2CCC[C@H](CS(C)(=O)=O)C2)c(O)c1	877547978	BMOUEEBPNXFPBN-ZDUSSCGKSA-N	297.420	1.957	10	20	CDCD	
CCOc1ccc(CNCCN(CC)CCO)c(O)c1	768946771	VPSUVYPSZGRURX-UHFFFAOYSA-N	282.384	1.195	10	20	CDCD	
COc1cc(O)c(CN[C@H]2C[C@@H](CO)C2)cc1OC	877667819	RCCHZDQBZIECJN-JGZJWPJOSA-N	267.325	1.270	10	20	CDCD	
Cc1cccc(O)c1CN[C@@H](C)[C@H]1CN(C)CCO1	877099264	DUXVZDYOIDJVLG-SWLSCSKDSA-N	264.369	1.509	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N1CCCC[C@@H]1CO	1116510121	NJZXIDAYFFMDMX-SMYYYNMVSA-N	277.320	1.484	10	20	CDCD	
Cc1ccc(CN2CCN([C@H]3CCC[C@H]3O)CC2)c(O)c1	876686947	CDAGDVGROJKUER-JKSUJKDBSA-N	290.407	1.732	10	20	CDCD	
CC1(C)OC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)O1	779533581	YWJZKEGCKMSFRS-MALLOTDXSA-N	293.319	1.379	10	20	CDCD	
Oc1c(F)cc(F)cc1CNCCOC[C@H]1CCOC1	882991164	NXRVEGQCXPITFY-JTQLQIEISA-N	287.306	1.813	10	20	CDCD	
C[C@H]1C[C@H](C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)CO1	784462404	GOQYFPOSYBUVAT-SCVCMEIPSA-N	279.336	1.570	10	20	CDCD	
COc1ccc(CNCC[C@H](C)OC)c(O)c1OC	892806381	FFJRBKZGQZODJV-JTQLQIEISA-N	269.341	1.924	10	20	CDCD	
CC[C@@H](NCc1cc(C)cc(OC)c1O)[C@H](C)O	894904459	INHPUEDAHWJXMB-CMPLNLGQSA-N	253.342	1.958	10	20	CDCD	
CCCN(c1ccc(CN)cc1)C1CCN(C=O)CC1	894045955	KLFQCVNAXRBWEF-UHFFFAOYSA-N	275.396	1.983	10	20	CDCD	
C[C@]1(CO)CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1	1319922414	QKJFOPFHGQWZJK-NBUZRDOWSA-N	291.347	1.732	10	20	CDCD	
COc1ccc(CNC(=O)[C@@]2(F)CCOC2)c(O)c1	1329216994	NZEHZACYZOUUPB-CYBMUJFWSA-N	269.272	1.146	10	20	CDCD	
CC(C)[C@H](O)C(C)(C)CNC(=O)c1cccc(O)c1O	193147281	NMYXQZXWPOHPKM-ZDUSSCGKSA-N	281.352	1.871	10	20	CDCD	
COC[C@@](C)(NCc1ccc2c(c1)CCO2)C(=O)O	720756693	MASXELCUEJEDSP-CQSZACIVSA-N	265.309	1.201	10	20	CDCD	
COC(=O)CN(C)c1cc(OC)c(OC)cc1[N+](=O)[O-]	214182412	BEGOMYLDNNLXKU-UHFFFAOYSA-N	284.268	1.221	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)c1	1581209713	RHSGATCIVMRTMH-UHFFFAOYSA-N	298.306	1.139	10	20	CDCD	
O=C(O)CSCC(=O)NCc1cc(Cl)ccc1O	1595126761	AUABLCWSYSYUBE-UHFFFAOYSA-N	289.740	1.480	10	20	CDCD	
C[C@](CCF)(NCc1cc(F)cc(F)c1O)C(=O)O	1592508093	ZAOFLXHBDMWRJV-GFCCVEGCSA-N	277.242	1.963	10	20	CDCD	
C[C@@H]1NC[C@@H](C)N(C(=O)Cc2ccc(N)cc2)[C@@H]1C	1122264619	TWLHJYZSFZWDSX-GRYCIOLGSA-N	261.369	1.409	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1N	112809851	CISCSHGPIAVCRW-GVARAGBVSA-N	274.364	1.724	10	20	CDCD	
COc1ccc(N2CCN(C(=O)C[C@@H](C)N)CC2)cc1	37607257	NKPVLDLQCYZYLE-GFCCVEGCSA-N	277.368	1.081	10	20	CDCD	
C[C@H](NCC1([S@@](C)=O)CC1)c1ccccc1O	282421702	SRTNNNUDQYIAOH-DYZYQPBXSA-N	253.367	1.954	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CC[C@H](C)[C@H]2CO)c1O	189698624	ZUWQIEYDXDXMCR-LKFCYVNXSA-N	281.327	1.937	10	20	CDCD	
CNC(=O)C[C@@H](C)N[C@H](C)c1ccc(N(C)C)cc1	323076468	XUJGZYQZDYNCPR-VXGBXAGGSA-N	263.385	1.928	10	20	CDCD	
CC[C@]1(O)CCCN(C(=O)c2cccc(O)c2O)C1	710581015	GJMDZTKADMMGCF-AWEZNQCLSA-N	265.309	1.475	10	20	CDCD	
CCCOCC(=O)NCc1cccc(OC)c1O	105649350	RYJYWFPIBFESGC-UHFFFAOYSA-N	253.298	1.444	10	20	CDCD	
CNC(=O)C(C)(C)CNCc1cc(C)ccc1O	120306922	HEZVMGVBHSSIOZ-UHFFFAOYSA-N	250.342	1.562	10	20	CDCD	
COc1ccc(O)c(CN2CCNC(=O)[C@@H]2CC(C)C)c1	188910146	ABEFBBQESGGGDX-AWEZNQCLSA-N	292.379	1.747	10	20	CDCD	
O=C(O)[C@@H]1CCCCN1C(=O)c1cccc(O)c1O	125984888	RUJXNGNVDJJTKC-VIFPVBQESA-N	265.265	1.177	10	20	CDCD	
CSC[C@@H](C)NCc1cc2c(cc1O)OCO2	130715338	QBIMSTBJOBBBCY-MRVPVSSYSA-N	255.339	1.962	10	20	CDCD	
OCC(F)(F)CNCc1cccc(Br)c1O	183869436	ADDSXRGKDNRJGU-UHFFFAOYSA-N	296.111	1.872	10	20	CDCD	
COc1cc(N2CC(O)(C3CC3)C2)c([N+](=O)[O-])cc1OC	213723838	ZLAAJFWWERIFLJ-UHFFFAOYSA-N	294.307	1.573	10	20	CDCD	
CCn1nncc1CN[C@@H](C)c1ccc(F)cc1O	527920508	PSZAKTUYNCQDCE-VIFPVBQESA-N	264.304	1.994	10	20	CDCD	
CC(=O)NCCCN[C@@H](C)c1ccc(F)c(F)c1O	191191658	DEWLFRQCYULYMI-QMMMGPOBSA-N	272.295	1.847	10	20	CDCD	
COC(=O)[C@H](NCc1cccc(Cl)c1O)[C@@H](C)O	191962296	XQSZFWCLZNKIJH-GMSGAONNSA-N	273.716	1.058	10	20	CDCD	
CCN(Cc1cc(F)ccc1O)[C@H](C)CS(C)(=O)=O	180153699	YJSAEDKMYUQPSL-SNVBAGLBSA-N	289.372	1.786	10	20	CDCD	
NC(=O)CC[C@@H]1CCCN(C(=O)Cc2ccc(N)cc2)C1	237873525	UPIQCKLALQLODR-ZDUSSCGKSA-N	289.379	1.315	10	20	CDCD	
CCNS(=O)(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	265551313	YTYFHGSIURKJRL-UHFFFAOYSA-N	299.440	1.817	10	20	CDCD	
CCC(=O)N1CC[C@@H](C(=O)NCc2ccccc2O)C1	269685283	NDAFMJNKRNJWDS-GFCCVEGCSA-N	276.336	1.267	10	20	CDCD	
COc1cc(O)c(CN[C@@H](CO)C(C)(C)C)cc1OC	278736039	QULFUZNQMKJGQQ-AWEZNQCLSA-N	283.368	1.906	10	20	CDCD	
CN(C)c1ccc(CN(CCO)C2CCOCC2)cc1	275869985	JRKJIMKYPUOLJD-UHFFFAOYSA-N	278.396	1.726	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@H](CO)C(C)(C)C)c1O	278496176	MLWZCHIZZWOTGG-LLVKDONJSA-N	298.339	1.806	10	20	CDCD	
Cc1ncncc1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	274954013	RXGHTFHOUJYNCV-VIFPVBQESA-N	287.319	1.557	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)[C@@H](CN)OC)cc1	290016100	QQJIBXOGQLRLCZ-CQSZACIVSA-N	279.384	1.123	10	20	CDCD	
CCN(CC)c1ccc(CN2CC(O)(COC)C2)cc1	297345703	GAPWFZMNTRTLFU-UHFFFAOYSA-N	278.396	1.726	10	20	CDCD	
CC(C)[C@H]1NCC[C@@H]1C(=O)NCCc1ccc(N)cc1	294710562	BHVGVAVHHLNHSP-LSDHHAIUSA-N	275.396	1.562	10	20	CDCD	
Cc1ccc(O)c(CNc2cccc(NC(=O)C(N)=O)c2)c1	800893677	XAPKQIOTOHSQJU-UHFFFAOYSA-N	299.330	1.737	10	20	CDCD	
Oc1ccc(CCNc2cncc(-n3cncn3)n2)cc1O	811811328	RYXXPXQJPGYIQB-UHFFFAOYSA-N	298.306	1.123	10	20	CDCD	
COc1cccc(O)c1CN(C)C1(CO)CCC1	827904134	VGDGHOGWZZENLN-UHFFFAOYSA-N	251.326	1.748	10	20	CDCD	
COc1cccc(O)c1CN1CCc2nn[nH]c2C1	827885194	UBWJCTPCZYMTOL-UHFFFAOYSA-N	260.297	1.077	10	20	CDCD	
CN1CCCc2cc(CNC(=O)[C@@H]3C[C@H]3C(=O)O)ccc21	737519608	ZJJLYFVDZVUEIO-CHWSQXEVSA-N	288.347	1.406	10	20	CDCD	
Cc1ccc(C(=O)NC[C@H](N)c2ccc(N(C)C)cc2)cn1	832292480	HPVXOVHHXVJYDQ-INIZCTEOSA-N	298.390	1.886	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)NCCCNC	841914913	LHDRJILLWGDFHU-UHFFFAOYSA-N	279.384	1.923	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)NCC1(N)CCC1	841967289	RFHIKSYLDMLUGQ-UHFFFAOYSA-N	263.341	1.415	10	20	CDCD	
CCN1C[C@@H](CNC(=O)Nc2ccc(N)cc2)CC1=O	846309493	FXVSXOUYVMSACA-SNVBAGLBSA-N	276.340	1.259	10	20	CDCD	
Nc1ccc(CCNC(=O)NCC2(O)CCCCC2)cc1	841957266	QQGQDCSUJALFPI-UHFFFAOYSA-N	291.395	1.806	10	20	CDCD	
COc1ccc(O)c(CNCCCNC2CC2)c1	841093867	VHYXDURWHDUART-UHFFFAOYSA-N	250.342	1.633	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@H]2CNCCC2(F)F)cc1	844166692	PTMAUHWGFRKBJY-CYBMUJFWSA-N	297.349	1.614	10	20	CDCD	
C[C@@H](CN)NC(=O)N(C)Cc1ccc(N(C)C)cc1	841982958	UQRDXCKLZLGDTK-NSHDSACASA-N	264.373	1.241	10	20	CDCD	
C[C@H]1CCCN(C(=O)C(=O)Nc2ccc(N)cc2)C1	841011005	ZNCBILLAPXDNLK-JTQLQIEISA-N	261.325	1.466	10	20	CDCD	
CN(C)c1ccc(CNCCCN2CCNCC2)cc1	841029367	NPEVHYATJMVKAR-UHFFFAOYSA-N	276.428	1.138	10	20	CDCD	
CC(C)C[C@H]1C(=O)NCCN1C(=O)Nc1ccc(N)cc1	841296206	QRIUQZRGWKGCTM-ZDUSSCGKSA-N	290.367	1.647	10	20	CDCD	
Nc1ccc(NC(=O)C(=O)NCCCC2CC2)cc1	841043123	RFZJZWJMYDRMRP-UHFFFAOYSA-N	261.325	1.514	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@H]1CCOC1	754674233	DPBSBMUPQVXSAS-ZYHUDNBSSA-N	279.336	1.572	10	20	CDCD	
O=C(OCCCN1CCOC1=O)c1cccc(O)c1O	758578115	ASUSTHJHBPJUHJ-UHFFFAOYSA-N	281.264	1.097	10	20	CDCD	
CC[C@@H](NC)C(=O)NCc1ccc(N(C)C)c(F)c1	852800003	VZNUGCTZCQEKMY-GFCCVEGCSA-N	267.348	1.506	10	20	CDCD	
CC(C)n1cnnc1CN(C)C(=O)c1cc(O)cs1	854607637	OMIWBTZREORASP-UHFFFAOYSA-N	280.353	1.898	10	20	CDCD	
COc1cccc(CNC[C@H](CO)CC2CC2)c1O	850388806	PWDXXZMTQVNIRH-GFCCVEGCSA-N	265.353	1.899	10	20	CDCD	
CCn1[nH]c(C)nc1=NCc1cc(F)c(N(C)C)cc1F	865293648	QAMRTLISXBUWSG-UHFFFAOYSA-N	295.337	1.985	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](NC=O)C(C)C)c1	860242407	QLELTPBQGJMGNM-YGRLFVJLSA-N	294.351	1.349	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H](CO)CC(F)F	760679014	RFNSINVSDCNYHO-FIFYQCSRSA-N	287.262	1.243	10	20	CDCD	
Cc1ccc(CN[C@H](C)CS(C)(=O)=O)c(O)c1	877029190	UWNMFOZKBSFDSH-SNVBAGLBSA-N	257.355	1.223	10	20	CDCD	
COCC1CCN(Cc2cc3c(cc2O)OC[C@@H]3O)CC1	768448728	WEJSXXNZIBHDOW-HNNXBMFYSA-N	293.363	1.676	10	20	CDCD	
Cc1ccc(CN2CC[C@H](S(C)(=O)=O)C2)c(O)c1	877499946	MVCRCKSXYRXZRS-LBPRGKRZSA-N	269.366	1.320	10	20	CDCD	
Cc1ccc(CN(CCS(C)(=O)=O)C2CC2)c(O)c1	876784811	KODWPNJETHYVHW-UHFFFAOYSA-N	283.393	1.710	10	20	CDCD	
CCNC(=O)CN(C)Cc1cc(Cl)cc(F)c1O	775658259	MDVSROJKIMEOIA-UHFFFAOYSA-N	274.723	1.753	10	20	CDCD	
CC(C)N(C(=O)COC(=O)c1cccc(O)c1O)C(C)C	776281857	LTQNBCVGYHYEMD-UHFFFAOYSA-N	295.335	1.900	10	20	CDCD	
Cc1nnc2ccc(NCc3ccccc3O)nn12	771177383	FSHVJUVWTDOSJF-UHFFFAOYSA-N	255.281	1.750	10	20	CDCD	
COC[C@H](O)CCN[C@H](C)c1c(O)cccc1F	886558820	STYODXOFNABPRB-NXEZZACHSA-N	257.305	1.579	10	20	CDCD	
C[C@H]1CN(C(=O)NCc2ccc(N)cc2)CC[C@@H]1N	1120677327	NRKOXJHIJNJAIZ-GWCFXTLKSA-N	262.357	1.148	10	20	CDCD	
COc1ncccc1CNC(=O)c1c(F)ccc(O)c1O	789955593	XECNLYFKRIAKIP-UHFFFAOYSA-N	292.266	1.571	10	20	CDCD	
C[C@@H]1C[C@@H](O)CN1Cc1ccc(N2CCN(C)CC2)cc1	788271163	ZRXYGLVTBLFNBD-RHSMWYFYSA-N	289.423	1.394	10	20	CDCD	
COc1cc(C)cc(CNCCN2CCCC2)c1O	894382660	YMRUPPLHTGDEEE-UHFFFAOYSA-N	264.369	1.895	10	20	CDCD	
COc1cc(C)cc(CNCCN2CCC(O)CC2)c1O	894915836	GRWWZVUKQMDYSJ-UHFFFAOYSA-N	294.395	1.256	10	20	CDCD	
COc1cc(C)cc(CN[C@H](C)CCCO)c1O	894352184	LFBYFDXVOARDEM-LLVKDONJSA-N	253.342	1.960	10	20	CDCD	
CCCN(CC(=O)NC)Cc1cc2c(cc1O)OCO2	133298551	LCMNWJFLKUGAQY-UHFFFAOYSA-N	280.324	1.079	10	20	CDCD	
CCN(CC(C)C)C(=O)C(=O)N(C)Cc1ccccc1O	1325631186	LBEQQJVKVAQARX-UHFFFAOYSA-N	292.379	1.855	10	20	CDCD	
O=C(O)[C@H]1[C@H](CNCc2ccc3c(c2)CCO3)C1(F)F	715337081	ZGCWHIUOJYLSSW-CMPLNLGQSA-N	283.274	1.677	10	20	CDCD	
Cc1ncoc1C(=O)NCCc1ccc(O)c(O)c1	762275244	PISLNDSSIMBTKS-UHFFFAOYSA-N	262.265	1.367	10	20	CDCD	
COCc1nc(CN[C@H](C)c2ccccc2O)no1	879649494	UYWLTBLSVMVHDF-SECBINFHSA-N	263.297	1.772	10	20	CDCD	
C[C@H](C(=O)NCc1ccc(N(C)C)cc1)[C@H]1CCC(=O)N1	1334909968	WNUZEXYMMFSSCP-SMDDNHRTSA-N	289.379	1.284	10	20	CDCD	
Nc1ccc(CNC(=O)c2cnc(C3CC3)[nH]2)cc1	1342699423	LZUXBPJEAJHECB-UHFFFAOYSA-N	256.309	1.799	10	20	CDCD	
C[C@H](NC(=O)NCc1ccc(N)cc1)C1=CCN(C)CC1	1346405030	HHSHVSQEJFQSQP-LBPRGKRZSA-N	288.395	1.718	10	20	CDCD	
C[C@@H](Cc1cnc[nH]1)C(=O)NCc1ccc(N)cc1	1356228855	WGSUWDOARYFRKD-JTQLQIEISA-N	258.325	1.487	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)N[C@H](C)CC(=O)O)c1	1605296867	QXXOZDJWYMIJON-SECBINFHSA-N	266.297	1.363	10	20	CDCD	
CCCCN(Cc1ccccc1O)C(=O)CC(=O)O	1605277565	BBTPXEDHTKOQRJ-UHFFFAOYSA-N	265.309	1.996	10	20	CDCD	
O=C(Cc1ccc(O)c(O)c1)Nc1ccc(C(=O)O)nc1	1601361479	LHHQOGHZDHQAQP-UHFFFAOYSA-N	288.259	1.372	10	20	CDCD	
CCC[C@@H](C)C(=O)NCCNCc1ccc(N)cc1	1577336847	XXZCTNZMBGFTFX-GFCCVEGCSA-N	263.385	1.911	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@]2(C(=O)O)CC2(C)C)c1	1594105157	FTNHPQALVAEBDD-HNNXBMFYSA-N	293.319	1.518	10	20	CDCD	
C[C@H](C(=O)NCc1ccc(O)c(O)c1)N1CCCCCC1	158923420	XBUAIURWMLPXRK-GFCCVEGCSA-N	292.379	1.979	10	20	CDCD	
COC(=O)[C@H]1C[C@H](NC(=O)NCc2ccccc2O)C1	853570466	PNMXXJVCFWFYSQ-XYPYZODXSA-N	278.308	1.143	10	20	CDCD	
CO[C@@H]1C[C@@H](NC(=O)c2cccc(O)c2O)C1(C)C	229413178	IGXHKEWYKVLCBC-GHMZBOCLSA-N	265.309	1.641	10	20	CDCD	
COC[C@H](CO)N[C@@H]1C[C@H](C)c2c(C)ccc(O)c21	300555671	WRWNBUZOGIMEPI-SDDRHHMPSA-N	265.353	1.846	10	20	CDCD	
CC(=O)N1CCC[C@H](C(=O)N(C)c2ccc(N)cc2)C1	702075037	AUFHHNMBKYYBEF-LBPRGKRZSA-N	275.352	1.490	10	20	CDCD	
COc1ccc(O)c([C@H](C)N[C@@H]2CCOC[C@H]2O)c1	706734149	OMIDWRNXTNLUCN-MRCXROJRSA-N	267.325	1.201	10	20	CDCD	
C[C@](O)(CNCc1cc2c(cc1O)OCO2)c1ccco1	174527843	GABWTAWNXWNSIW-HNNXBMFYSA-N	291.303	1.711	10	20	CDCD	
COC[C@H](NC(=O)NCc1ccc(N(C)C)cc1)C1CC1	122846377	BMZCWFSEKNCWHL-HNNXBMFYSA-N	291.395	1.977	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCC2(CCO2)CC1	367120069	VNNFZHLCKXVOAH-UHFFFAOYSA-N	263.293	1.493	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)c1cccc(=O)n1C	128694150	RUSNIAYGAHJJSS-UHFFFAOYSA-N	272.304	1.363	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@]1(O)CCSC1	121131999	ULWPRASFTKAOIV-HNNXBMFYSA-N	294.420	1.579	10	20	CDCD	
CC[C@H](NC(=O)c1cccc(O)c1O)[C@@H]1CCCO1	187206111	LTKSMXWFCDMRMU-JQWIXIFHSA-N	265.309	1.785	10	20	CDCD	
COc1ccc(O)c(CN2CC[C@H](C)S(=O)(=O)CC2)c1	192047618	WYXPESYDHKALNL-NSHDSACASA-N	299.392	1.410	10	20	CDCD	
Cc1cc(C(=O)N2CCN[C@@H](C)C2)c(C)n1-c1ccccn1	237532935	LOSKYMCJLKBRPU-LBPRGKRZSA-N	298.390	1.923	10	20	CDCD	
CCOC[C@H]1CN(Cc2cc3c(cc2O)OCO3)CCO1	529664836	FEGKGBOMKMPZDP-GFCCVEGCSA-N	295.335	1.358	10	20	CDCD	
CN1CCCC[C@H](CNC(=O)c2cccc(O)c2O)C1	700793094	PIVZUXBWIRRQLW-LLVKDONJSA-N	278.352	1.560	10	20	CDCD	
Cc1ccc(C(=O)NC[C@H]2CCCCO2)c(O)c1O	271265756	KNYBJGNWRAPDQF-SNVBAGLBSA-N	265.309	1.705	10	20	CDCD	
CC(C)c1nnc(CNC(=O)c2cccc(O)c2O)[nH]1	295785817	QYVQMUIYOMBWHK-UHFFFAOYSA-N	276.296	1.269	10	20	CDCD	
OC[C@@]1(F)CCN(Cc2cccc(Cl)c2O)C1	802660920	ZKBSNDJOSBDUJE-GFCCVEGCSA-N	259.708	1.952	10	20	CDCD	
CCOc1cccc(CN[C@@H]2COCC[C@H]2OC)c1O	724879994	JXKCOIPRJBVGIN-CHWSQXEVSA-N	281.352	1.684	10	20	CDCD	
COCCNCCN[C@H]1CCc2cccc(O)c21	817965044	NXLGLZZIZZMASA-LBPRGKRZSA-N	250.342	1.205	10	20	CDCD	
C[C@@H](NC[C@H](N)c1ccc(N(C)C)cc1)c1c[nH]ccc1=N	817942574	PPPZVOBRVVSPPG-PXAZEXFGSA-N	299.422	1.911	10	20	CDCD	
C[C@@H](NCCN1CCNCC1)c1cc(Cl)ccc1O	817944786	MDXZRIIYAYFDBB-LLVKDONJSA-N	283.803	1.601	10	20	CDCD	
CN(C)CCCCN(C)C(=O)c1cc(O)cs1	828268006	BEENFLOJQXISJW-UHFFFAOYSA-N	256.371	1.868	10	20	CDCD	
Cc1cc(O)c(CN[C@H](CO)c2cnn(C)c2)cc1Cl	825391414	UYPDFWKLHKJUDV-CYBMUJFWSA-N	295.770	1.911	10	20	CDCD	
CCOC(=O)CN(C(=O)c1cc(O)cs1)C(C)C	825416872	HASAUWDWPYKJFB-UHFFFAOYSA-N	271.338	1.867	10	20	CDCD	
CCC[C@@](C)(NC(=O)c1cc(O)cs1)C(=O)OC	823199579	ZBDBFXIKLZNKCT-GFCCVEGCSA-N	271.338	1.915	10	20	CDCD	
C[C@@H]1CN(Cc2c(O)ccc(Cl)c2F)CC(=O)N1	824909378	LIRWVZIECNAYJQ-SSDOTTSWSA-N	272.707	1.505	10	20	CDCD	
Cc1noc(C)c1NC(=O)C(=O)NCc1ccccc1O	737166292	FPHQFWJAUDHACF-UHFFFAOYSA-N	289.291	1.252	10	20	CDCD	
C[C@@H](NCc1cc2c(cc1O)OCO2)C(=O)OC(C)(C)C	733334684	QBCSMSLUBLNJAF-SECBINFHSA-N	295.335	1.941	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@@H](N)C1	841827579	OEPRJIMPGPXWFO-CYBMUJFWSA-N	276.384	1.304	10	20	CDCD	
Cc1noc([C@H](C)N(C)C(=O)c2cc(O)cs2)n1	848391969	RSUWALXCLWNUGN-LURJTMIESA-N	267.310	1.978	10	20	CDCD	
C[C@H](CCN)NCc1ccc(N2CCN(C)CC2)cc1	841052988	YIJVZWFDIIIWFG-CQSZACIVSA-N	276.428	1.265	10	20	CDCD	
CCc1cccc(CN2CCOC[C@@H]2C(=O)OC)c1O	848883807	CFIZOSBOONSTIV-CYBMUJFWSA-N	279.336	1.328	10	20	CDCD	
COc1cc(Cl)cc(CNC[C@H]2CNCCO2)c1O	841099708	WERVYSUPOZFITJ-LLVKDONJSA-N	286.759	1.132	10	20	CDCD	
OC[C@H](NCc1ccc2c(c1)CCCO2)[C@H]1CCCOC1	922183905	CKLSZEOORPNVMM-HOTGVXAUSA-N	291.391	1.889	10	20	CDCD	
C[C@H](NC(=O)NCc1ccc(N(C)C)cc1)C1(CO)CC1	853830397	SATOWURYEIAPQB-LBPRGKRZSA-N	291.395	1.713	10	20	CDCD	
C[C@@H]1C[C@@H](NCc2ncn(C)n2)c2c(O)ccc(F)c21	756778864	GDHVJNQVMJLXDZ-PSASIEDQSA-N	276.315	1.998	10	20	CDCD	
CNC[C@H](C)NCc1cc(Cl)cc([N+](=O)[O-])c1O	853249562	REVFGRPCOIEMKK-ZETCQYMHSA-N	273.720	1.651	10	20	CDCD	
CC(=O)N[C@](C)(C(=O)NCc1ccccc1O)C(C)C	934935616	LCCJHVBUPJDIKI-HNNXBMFYSA-N	278.352	1.559	10	20	CDCD	
CCn1cc(C(=O)C(=O)NCc2cc(C)ccc2O)cn1	862758176	RPGLKQASCGAMCK-UHFFFAOYSA-N	287.319	1.416	10	20	CDCD	
Cc1cc(C(=O)N2C[C@@H](O)[C@H](C)C2)c(C)n1-c1ccccn1	768823921	BWWXYGYWBAFLRW-IAQYHMDHSA-N	299.374	1.942	10	20	CDCD	
CCN(CC(=O)N(C)C)Cc1c(C)cccc1O	876577762	NIJXZGOPOBQAMS-UHFFFAOYSA-N	250.342	1.611	10	20	CDCD	
COc1ccc(O)c(CN2CCC3(CCNC3=O)CC2)c1	877782478	APSSEERSQZJEMA-UHFFFAOYSA-N	290.363	1.503	10	20	CDCD	
O=C(N[C@H](CO)Cc1ccc(F)cc1)c1cc(O)cs1	778514433	KZHPAAAAVBGNFY-NSHDSACASA-N	295.335	1.926	10	20	CDCD	
CN(C)c1ccc(CN2C(=O)N[C@H](CC(F)F)C2=O)cc1	777557616	LXLYEFOYEFVYQO-LLVKDONJSA-N	297.305	1.828	10	20	CDCD	
COc1cccc(CNc2cncc(-n3cncn3)n2)c1O	774529079	MXRAJABHOKYTNY-UHFFFAOYSA-N	298.306	1.384	10	20	CDCD	
CCN(C[C@@H]1CCOC1)C(=O)c1ccc(C)c(O)c1O	780905952	HEQLAXAHDQZJNN-NSHDSACASA-N	279.336	1.905	10	20	CDCD	
Cc1cnccc1C(=O)OCC(=O)c1ccc(O)c(O)c1	786035623	MSMYJYHZIRKPFD-UHFFFAOYSA-N	287.271	1.841	10	20	CDCD	
Cc1cc(CNC(=O)c2c(F)ccc(O)c2O)on1	789963855	HHLVYAGVGXJVMP-UHFFFAOYSA-N	266.228	1.463	10	20	CDCD	
COc1cc(O)c(CN[C@H]2COC[C@H]2C)cc1OC	896738090	YEZKPDIRXZYPTH-KOLCDFICSA-N	267.325	1.534	10	20	CDCD	
COc1cc(C)cc(CN[C@]2(C)CCOC2)c1O	894361573	JVQINUBOBNLQJK-CQSZACIVSA-N	251.326	1.978	10	20	CDCD	
COc1ccc(N(Cc2nnn(C)n2)CC(C)C)cc1	799307963	YMFDNORYQIZQRA-UHFFFAOYSA-N	275.356	1.881	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2[nH]ccc2C)c1	797941890	GQMSHAUPNGVCDX-UHFFFAOYSA-N	260.293	1.967	10	20	CDCD	
COc1ccc(CN=c2ncnc3[nH][nH]cc2-3)c(O)c1	794865737	RCDXBKHMDWTMCQ-UHFFFAOYSA-N	271.280	1.053	10	20	CDCD	
COc1ccc(CNC(=O)NC2CC(F)(F)C2)c(O)c1	793081619	GQIVRHXKQFBIHE-UHFFFAOYSA-N	286.278	1.998	10	20	CDCD	
CC[C@@H](C(=O)NCCc1ccc(O)c(O)c1)[C@@H](C)O	790075169	IHNVFARKWOYRPH-MWLCHTKSSA-N	267.325	1.164	10	20	CDCD	
CCOc1ccc(N2CCN([C@H](C)C(=O)OC)CC2)cc1	1322872978	XLFJVGNLKKMBRB-CYBMUJFWSA-N	292.379	1.769	10	20	CDCD	
Cn1cnc(C(=O)Nc2c(Cl)ccc3nonc23)n1	1326038092	KRFBHBTYLFNCFK-UHFFFAOYSA-N	278.659	1.257	10	20	CDCD	
COc1cccc(CN2CCN(C)CC2(C)C)c1O	93457379	XWFUEDWNXZTLKF-UHFFFAOYSA-N	264.369	1.927	10	20	CDCD	
CN(Cc1ccccc1O)C[C@H]1CN(C)C(=O)O1	1327813289	YSBOZSBRFZPXDT-NSHDSACASA-N	250.298	1.275	10	20	CDCD	
Cn1cncc1CCNCc1cc(F)cc(F)c1O	708465338	GUILABHPXRXEPW-UHFFFAOYSA-N	267.279	1.736	10	20	CDCD	
COc1cc(C)cc(CN2CCC[C@H]2CO)c1O	1331530546	NPOAMXGHQWNQEC-LBPRGKRZSA-N	251.326	1.666	10	20	CDCD	
COc1cccc(O)c1CNC[C@@]1(OC)CCOC1	763478107	AIEYHWGCGDOYTK-AWEZNQCLSA-N	267.325	1.296	10	20	CDCD	
C[C@]12COC[C@@]1(C)CN(C(=O)NCc1ccc(N)cc1)C2	1338792690	HDAWSJUIJSXCOD-IYBDPMFKSA-N	289.379	1.837	10	20	CDCD	
CN(CCc1cnccn1)C(=O)NCc1ccc(N)cc1	1262603839	WVSHZFDKGNMSJR-UHFFFAOYSA-N	285.351	1.443	10	20	CDCD	
CC[C@H]1CN(C(=O)NCc2ccc(N)cc2)CC[C@@H]1N	1262603847	XCUCKBQIJGLVFR-JSGCOSHPSA-N	276.384	1.538	10	20	CDCD	
CCNC(=O)CCCC(=O)NCc1ccc(N)cc1	1342021800	OBGPOHJTISDLBT-UHFFFAOYSA-N	263.341	1.191	10	20	CDCD	
Cc1cc(O)c(CN2CCC[C@@H](O)[C@@H]2C(=O)O)cc1Cl	1607699150	HKXDXZASFRMJJA-DGCLKSJQSA-N	299.754	1.764	10	20	CDCD	
NC(=O)N=Nc1ccc(C(=O)N2CC[C@@H]2C(=O)O)cc1	1601154993	GUNPOWBTJCHCJQ-SECBINFHSA-N	276.252	1.148	10	20	CDCD	
Oc1c(Cl)cc(Cl)cc1CN[C@H]1CCNC[C@H]1O	1580886039	VNZVIIHEEABZHQ-WDEREUQCSA-N	291.178	1.511	10	20	CDCD	
C[C@@H]1C[C@@](NCc2ccc(N(C)C)cc2)(C(=O)O)CCO1	1776599417	AGWAWBLKXHYFTN-MLGOLLRUSA-N	292.379	1.865	10	20	CDCD	
COc1cc(O)c(CN2CCC(C(N)=O)CC2)cc1OC	159468990	SXNQYPWMBYTFJV-UHFFFAOYSA-N	294.351	1.107	10	20	CDCD	
Nc1ccc(CN2CCN(c3ncccn3)CC2)cc1	19267284	SHVNBCCEHUNWKM-UHFFFAOYSA-N	269.352	1.381	10	20	CDCD	
Nc1ccc(OCc2cn(CCOC3CC3)nn2)cc1	905830968	YNMAUAKDZAONHN-UHFFFAOYSA-N	274.324	1.618	10	20	CDCD	
CCc1cccc(CN[C@H]2CCCN(C)C2=O)c1O	704317254	SYTUICDHDWIFBQ-ZDUSSCGKSA-N	262.353	1.665	10	20	CDCD	
COc1ccc(O)c(CNC(=O)CNCC(F)(F)F)c1	114542908	FUIFPAPGFSULGO-UHFFFAOYSA-N	292.257	1.169	10	20	CDCD	
CCOCCO[C@H](C)C(=O)N(C)Cc1ccccc1O	68087423	XJQAEDSZIYOJOB-GFCCVEGCSA-N	281.352	1.792	10	20	CDCD	
CCN(CCS(C)(=O)=O)Cc1ccc(N(C)C)cc1	122570887	BONLKRCTRQTJCQ-UHFFFAOYSA-N	284.425	1.619	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)c(O)c1O	182841361	SMGFYVXQNSNZBI-UONOGXRCSA-N	299.326	1.794	10	20	CDCD	
COc1cccc(CN2CCN3C(=O)OC[C@@H]3C2)c1O	378345776	NGBMLMYEMSPZDP-NSHDSACASA-N	278.308	1.037	10	20	CDCD	
CC(=O)NC[C@@H]1CN(Cc2cccc(Cl)c2O)CCO1	180283850	JJSISJAGUOLISD-GFCCVEGCSA-N	298.770	1.383	10	20	CDCD	
Cc1cccc(CN(CCS(C)(=O)=O)C(C)C)c1O	180499672	QFVQABCYMZCLBT-UHFFFAOYSA-N	285.409	1.956	10	20	CDCD	
COC[C@@H](CO)NCc1cccc(Br)c1O	234872093	PUEIMUKRRIRECC-SECBINFHSA-N	290.157	1.252	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@@H]2C[C@H](O)C2(C)C)c1	275269810	BRHQNTHXZWWNDF-FZZIBODNSA-N	293.363	1.989	10	20	CDCD	
COCCCONC(=O)N(C)Cc1ccc(N(C)C)cc1	288122149	WMEYKUNJDRNOEZ-UHFFFAOYSA-N	295.383	1.862	10	20	CDCD	
COc1cccc(CN2CC(=O)NCC2(C)C)c1O	282846481	WAFKLHMCUDKDQD-UHFFFAOYSA-N	264.325	1.111	10	20	CDCD	
CCOCCO[C@H]1CCN(C(=O)c2cccc(O)c2O)C1	280014322	WMCKTZINBGUPAW-NSHDSACASA-N	295.335	1.365	10	20	CDCD	
Cc1cc(O)c(CNCCS(=O)(=O)C(C)C)cc1C	290095747	HKUILMCMULRZOP-UHFFFAOYSA-N	285.409	1.922	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)CS(C)(=O)=O)cc1	299044761	GNYCFMUWDUHHEH-UHFFFAOYSA-N	298.408	1.194	10	20	CDCD	
C[C@@H]1COCC[C@@H]1CNC(=O)c1cccc(O)c1O	804616875	DDMFVYMDKHFRHD-NXEZZACHSA-N	265.309	1.500	10	20	CDCD	
C[C@@H]1O[C@H](C)C[C@@H]1NC[C@H](N)c1ccc(N(C)C)cc1	817943298	UCWRQSWAMTWZDC-KNPMLCFXSA-N	277.412	1.908	10	20	CDCD	
C[C@@H](NCC[C@H]1CCNC1)c1cc([N+](=O)[O-])ccc1O	817955220	SVFLWUDVEUJKET-GHMZBOCLSA-N	279.340	1.951	10	20	CDCD	
Cc1cc(CN2C[C@@H]3[C@@H](CO)[C@@H]3C2)ccc1N(C)C	815120919	PKBPWLCJJNXNGO-FICVDOATSA-N	260.381	1.731	10	20	CDCD	
CN(CCC(=O)O)Cc1cc2c(cc1O)OCO2	820586159	NXWYZYFNIFGEKV-UHFFFAOYSA-N	253.254	1.027	10	20	CDCD	
NC(=O)CN1C(=O)/C(=C/c2ccsc2)SC1=S	727176576	MSJUODPRCIYJTK-CLTKARDFSA-N	284.387	1.435	10	20	CDCD	
Cc1ncoc1C(=O)NC[C@H](N)c1ccc(N(C)C)cc1	832267047	LVJMXSVHDVAJIK-ZDUSSCGKSA-N	288.351	1.479	10	20	CDCD	
Cn1nc2c(c1C(=O)NCc1ccc(O)c(O)c1)CCC2	907061848	YBHHZMJVTVKJGX-UHFFFAOYSA-N	287.319	1.250	10	20	CDCD	
COC[C@@](C)(CC(=O)O)NCc1ccc(N(C)C)c(F)c1	901792205	AXDRUMRMVHOYBG-OAHLLOKOSA-N	298.358	1.861	10	20	CDCD	
COc1ccc([C@H](O)CNC(=O)c2cc(O)cs2)cc1	731869100	LSVGVVXSOIULCM-GFCCVEGCSA-N	293.344	1.926	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)c2nn(C)cc2C)c1	839652014	YCXHXLISQKGZJQ-JTQLQIEISA-N	289.335	1.934	10	20	CDCD	
COc1ccc(N(CC(=O)N(C)C)CC2CC2)cc1	831582822	JCVMEDVSLDNZOA-UHFFFAOYSA-N	262.353	2.000	10	20	CDCD	
O=C1NN(c2ccccc2)C(=O)/C1=C/c1c[nH]c(C(=O)O)c1	833358348	RSFYMVIFYKCCBK-IZZDOVSWSA-N	297.270	1.174	10	20	CDCD	
CCN1CCC[C@@H](NC(=O)c2cc(OC)nc(OC)c2)C1	1007795247	YLTKASHSXLYLAG-GFCCVEGCSA-N	293.367	1.313	10	20	CDCD	
CCCn1cc(-c2nc(Cc3ccc(N)cc3)no2)nn1	843158665	GBYYGYQNYASBCM-UHFFFAOYSA-N	284.323	1.911	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1CCN2CCOC[C@@H]2C1	840938414	DSGCYNXWVKWLAZ-KRWDZBQOSA-N	289.423	1.577	10	20	CDCD	
CCC(N)(CC)CNC(=O)NCc1ccc(OC)cc1O	841950745	CBNIPKFSYTWFNX-UHFFFAOYSA-N	295.383	1.718	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@H]2NC(=O)O[C@H]2C)c1	841404592	GTTXDLWNXQHQIO-UBJUHAIHSA-N	294.307	1.075	10	20	CDCD	
CN(C)c1ccc(CN[C@@H](CCN)C(F)F)cc1F	841074933	SGYRADKAERDTPQ-NSHDSACASA-N	275.318	1.964	10	20	CDCD	
Cc1cc(O)c([C@@H]2NC(=O)[C@@H]3CSCCN32)cc1Cl	849183719	VYYZHEOKBTVYSJ-CMPLNLGQSA-N	298.795	1.900	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)CCNC2CC2)c1	848426973	RCIKAEUJPHOHTJ-SNVBAGLBSA-N	278.352	1.720	10	20	CDCD	
CN1CCCc2cc(CNC(=O)c3cnco3)ccc21	758882496	TZRFGIBSTNYCGL-UHFFFAOYSA-N	271.320	1.987	10	20	CDCD	
CC(C)(CO)[C@H](NC(=O)c1cc(O)cs1)C1CC1	855037715	FLNPSOUIBXNYQY-LLVKDONJSA-N	269.366	1.981	10	20	CDCD	
CC(=O)N1CC[C@@H](N[C@H](C)c2cc([N+](=O)[O-])ccc2O)C1	857083899	AJMFZNDZUNOHAX-MWLCHTKSSA-N	293.323	1.572	10	20	CDCD	
O=C(c1cccc(O)c1O)N1C[C@H]2CC[C@@H](O)C[C@H]2C1	691457654	OIPLVRRJCXJMHQ-OUAUKWLOSA-N	277.320	1.331	10	20	CDCD	
COc1ccc(O)c([C@H](C)N[C@H](C)[C@@H]2CN(C)CCO2)c1	756759998	NAVIDBLQVSYGMK-OZVIIMIRSA-N	294.395	1.771	10	20	CDCD	
CCOC(C)(C)C(=O)NCc1ccc(O)c(O)c1	866768502	BWEZKWFEOHXULF-UHFFFAOYSA-N	253.298	1.529	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)c2snnc2C)c1	862759959	OBSOZRJZZDCXGC-UHFFFAOYSA-N	263.322	1.791	10	20	CDCD	
CNC(=O)[C@@]1(C)CCN(Cc2ccc(C)cc2O)C1	877494970	QSAPXUPKTHZBSQ-HNNXBMFYSA-N	262.353	1.659	10	20	CDCD	
CN(C(=O)[C@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(N)cc1	877080140	HNJIKIUYPHQYIB-NSHDSACASA-N	289.379	1.879	10	20	CDCD	
Cc1ccc(CN2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)c(O)c1	877466778	QKVOJKCHSUIGHR-WHOFXGATSA-N	274.364	1.786	10	20	CDCD	
CCS(=O)(=O)C[C@@H](C)N(C)Cc1c(C)cccc1O	876737605	SECSQHSAWVBFEJ-GFCCVEGCSA-N	285.409	1.956	10	20	CDCD	
COC(=O)C(C)(C)N(C)Cc1cc(OC)ccc1O	775675235	UUCNIHXCUBIKJU-UHFFFAOYSA-N	267.325	1.784	10	20	CDCD	
COC(=O)C[C@H]1COCCN1Cc1ccc(C)cc1O	877530124	QXQICMIWMGBKJN-ZDUSSCGKSA-N	279.336	1.465	10	20	CDCD	
CCCN(CCN(C)C)C(=O)/C=C/c1ccc(O)c(O)c1	779516188	VLCBZGSKKXZCBW-SOFGYWHQSA-N	292.379	1.911	10	20	CDCD	
Cc1cccc(NC(=O)C(=O)NCc2ccccc2O)n1	773147107	ANPOQMVPBDPQGV-UHFFFAOYSA-N	285.303	1.351	10	20	CDCD	
C[C@H](N[C@H](C)C[S@@](C)=O)c1c(O)cccc1F	886587787	FOAIUODHLJDSRU-KSRUKNBBSA-N	259.346	1.949	10	20	CDCD	
CCC[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)OC	779544708	MYPFKPXNSGYINR-BPOWMSRESA-N	293.319	1.569	10	20	CDCD	
CN(C)c1ccc(Cn2cc(CCCO)nn2)cc1	881271098	GXBGSKYRZJMBRP-UHFFFAOYSA-N	260.341	1.317	10	20	CDCD	
CC1(C)CN(Cc2cccc(Cl)c2O)CCN1CCO	783713720	FMFZWMUMIAAIRP-UHFFFAOYSA-N	298.814	1.934	10	20	CDCD	
COCC1(O)CCN(Cc2cc(F)cc(F)c2O)CC1	894033785	IRNLKXNHHBWJQT-UHFFFAOYSA-N	287.306	1.644	10	20	CDCD	
CC[C@H]1C(=O)N(CC)CCN1C(=O)c1cccc(O)c1O	790944098	WAILKWDJPKLYRW-NSHDSACASA-N	292.335	1.181	10	20	CDCD	
CCn1cc(CC(=O)NCc2ccc(OC)cc2O)cn1	794391464	XURWZTYXCFGQKP-UHFFFAOYSA-N	289.335	1.476	10	20	CDCD	
Cc1cccc(O)c1CN[C@@H](CO)C[C@@H]1CCCO1	895749638	UOQYBWLUBPAVHP-OLZOCXBDSA-N	265.353	1.720	10	20	CDCD	
CCOc1ccc(N2CCN(C(=O)[C@H](C)OC)CC2)cc1	1320024054	SDRMWJNHQMEBGK-ZDUSSCGKSA-N	292.379	1.769	10	20	CDCD	
CN(C)c1ccc(CNCCNC(=O)C2CC2)cc1	78372427	SASJJZVEMOVZIM-UHFFFAOYSA-N	261.369	1.368	10	20	CDCD	
C[C@@H](NCc1cc2c(cc1O)OCO2)c1ncnn1C	788971065	BLRVFOINWZOTIC-MRVPVSSYSA-N	276.296	1.100	10	20	CDCD	
COC(=O)[C@H]1C[C@@H](O)CN1Cc1ccc(N(C)C)cc1C	1348492951	NDGNBHHHPWZWEO-HUUCEWRRSA-N	292.379	1.169	10	20	CDCD	
O=C(O)c1cnc(SCCN2CCCC2=O)s1	1608979026	FKPHSTINPMJUPH-UHFFFAOYSA-N	272.351	1.556	10	20	CDCD	
O=C(O)[C@]1(O)CCN(Cc2cc(Cl)c(F)cc2O)C1	1601722310	HNPZDCLMRHMUPT-LBPRGKRZSA-N	289.690	1.206	10	20	CDCD	
CC(=O)C1=NN(c2ccc(C)c(C(=O)O)c2)C(=O)C1	1589027134	OQCJFWNJALNJLO-UHFFFAOYSA-N	260.249	1.375	10	20	CDCD	
COc1cc(Cl)cc(CN[C@H](C)C[S@](C)=O)c1O	169096560	NWAHGJXHOZKCBH-NTCNTBNZSA-N	291.800	1.911	10	20	CDCD	
COc1cccc(O)c1CN1CC[C@@]2(CCN(C)C2)C1	814178568	VNWQETHKGGIYGD-MRXNPFEDSA-N	276.380	1.928	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC[C@@]2(O)CCO[C@@H]2C)c1	228064959	VQDLSILAAOKLPF-RWSFTLGLSA-N	281.352	1.591	10	20	CDCD	
Nc1ccc(CC(=O)N2CCO[C@H]3CCCC[C@H]32)cc1	37815369	GZARIOQZKJRPFU-CABCVRRESA-N	274.364	1.981	10	20	CDCD	
CCCN(CC(=O)N(C)C)Cc1cc(F)ccc1O	179970672	FQKJREFHLRNGSJ-UHFFFAOYSA-N	268.332	1.832	10	20	CDCD	
COC[C@]1(C)CCN(C(=O)c2cccc(O)c2O)C1	294091301	BFVMMRXPXIMXCS-CQSZACIVSA-N	265.309	1.596	10	20	CDCD	
CCCN(Cc1cnn(C)n1)c1ccc(CN)cc1	294645881	KLPUJJALTUVDLD-UHFFFAOYSA-N	259.357	1.690	10	20	CDCD	
Oc1cc2c(cc1CNC[C@H]1CC[C@@H](O)C1)OCO2	188797530	OTNZEVLVQHBULE-GXSJLCMTSA-N	265.309	1.372	10	20	CDCD	
Cc1nn(C)c(C)c1S(=O)(=O)Nc1ccc(O)cc1F	70333367	RBEWJDBZNUFAGB-UHFFFAOYSA-N	299.327	1.682	10	20	CDCD	
CC(=O)N[C@H](CC(C)C)C(=O)NCc1ccc(N)cc1	704362540	GVBDCQMQFFDZRP-CQSZACIVSA-N	277.368	1.436	10	20	CDCD	
C[C@@H]1[C@H](NC(=O)c2cccc(O)c2O)C[C@H]2CC[C@H]1N2	709285005	KUFTWGRRZNPYSN-LUTQBAROSA-N	276.336	1.357	10	20	CDCD	
CC[C@@]1(NC(=O)c2cccc(O)c2O)CCOC1	386094707	PZLCICVEWZTYLR-CYBMUJFWSA-N	251.282	1.397	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)OCC(F)(F)F	176500325	QETMFZUXIWWPFA-UHFFFAOYSA-N	265.187	1.886	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](C)CO	304211816	FAOSBBZJRGKFPZ-LLVKDONJSA-N	265.357	1.241	10	20	CDCD	
COc1cccc(CN2CC[C@H](S(C)(=O)=O)C2)c1O	282801579	RYPAHYRTGFDTHD-NSHDSACASA-N	285.365	1.020	10	20	CDCD	
COC(=O)[C@H](CNC(=O)Cc1ccc(N)cc1)CC(C)C	178606406	QAYHHBSJIBRWOJ-ZDUSSCGKSA-N	292.379	1.763	10	20	CDCD	
CC[C@@H](O)CN(C)Cc1ccc(N2CCOCC2)cc1	75611482	ZWABYLCERMQRMV-MRXNPFEDSA-N	278.396	1.726	10	20	CDCD	
CN(C)c1ccc(CN[C@]2(C(=O)O)CCSC2)cc1	284320871	TWEFFRHSLMLDAU-CQSZACIVSA-N	280.393	1.803	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)Nc1nccnc1C#N	183599900	FDFMGCSPETTWAA-VIFPVBQESA-N	270.292	1.803	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCCOC1	186438954	FTPSEFKOLBIMRZ-JQWIXIFHSA-N	279.336	1.572	10	20	CDCD	
CCOc1cc(O)ccc1NS(=O)(=O)c1cnn(C)c1	189423046	SVWSFHKESYZKMJ-UHFFFAOYSA-N	297.336	1.325	10	20	CDCD	
COC(=O)C[C@@H]1CN(Cc2cccc(Cl)c2O)CCO1	180287264	NLDFVCCXBPDDND-LLVKDONJSA-N	299.754	1.810	10	20	CDCD	
CCOc1ccc(O)c(CN2C[C@@H](C)[C@H](CO)C2)c1	191727962	OCYWQUWFXFRQAV-YPMHNXCESA-N	265.353	1.851	10	20	CDCD	
C[C@H]1CN(Cc2ccc(N(C)C)cc2)CCS(=O)(=O)C1	192064202	CTSGKWYGOMKVIN-ZDUSSCGKSA-N	296.436	1.619	10	20	CDCD	
C[C@H](N[C@H](C)C(=O)N(C)C)c1cc(F)ccc1O	94617127	IUXPEGPWHQWBRY-DTWKUNHWSA-N	254.305	1.659	10	20	CDCD	
COC(=O)N1CCN(c2ccc(OC)cc2OC)CC1	244013116	SMABTAIEHPXNBI-UHFFFAOYSA-N	280.324	1.592	10	20	CDCD	
CCN(CCC(=O)OC)Cc1cc2c(cc1O)OCO2	265666382	AAXODKKZBVUNCD-UHFFFAOYSA-N	281.308	1.506	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@@H]2CC23CCOCC3)c1	364360234	POWBPADMJFWLPM-ZDUSSCGKSA-N	291.347	1.834	10	20	CDCD	
CN(C)CCN(C)CCCN(C)Cc1ccccc1O	290283216	ZJLJNPOJZKOXKY-UHFFFAOYSA-N	279.428	1.708	10	20	CDCD	
OC[C@]1(F)CCN(Cc2ccc(N3CCOCC3)cc2)C1	802660996	CPWLCLQHNCBFMQ-INIZCTEOSA-N	294.370	1.430	10	20	CDCD	
CC(=O)NCC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	298319933	KYVNBAOTCDSZGJ-UHFFFAOYSA-N	291.395	1.626	10	20	CDCD	
COc1cc(CN(C)Cc2nncn2C)c(O)cc1C	808215044	FENVFERAVIQBAA-UHFFFAOYSA-N	276.340	1.470	10	20	CDCD	
OCCCN1CCC[C@H](NCc2ccccc2O)C1	295147075	QSNXFVMDRTZKMK-AWEZNQCLSA-N	264.369	1.329	10	20	CDCD	
Cc1nc(NC(=O)NCc2ccc(N(C)C)cc2)nn1C	297209362	YHDRIDYHYCTPRU-UHFFFAOYSA-N	288.355	1.511	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NCCCC1(O)CCC1	817645306	DVXPIKMMOQSUNR-GQCTYLIASA-N	291.347	1.922	10	20	CDCD	
O=C(O)C[C@H]1CCCN(Cc2cc3c(cc2O)OCO3)C1	819380463	NPGAGOMJLSPWST-SNVBAGLBSA-N	293.319	1.808	10	20	CDCD	
COC[C@@]1(CN[C@@H]2CCc3cccc(O)c32)CCCN1	817975028	QBFFNHNNGLXKHD-CJNGLKHVSA-N	276.380	1.738	10	20	CDCD	
CO[C@H](CN)CC(=O)NCCCSc1nccs1	829528237	NAJAQBKLJLTUCL-VIFPVBQESA-N	289.426	1.105	10	20	CDCD	
COc1ccc(N2CCCN(C(=O)[C@@H]3C[C@@H]3N)CC2)cc1	827459103	UDHGHBXMMQVANM-CABCVRRESA-N	289.379	1.081	10	20	CDCD	
NC[C@@H](NCc1ccc2c(c1)CCCO2)C(F)(F)F	904377082	JIECDNJRKLAEFU-GFCCVEGCSA-N	274.286	1.991	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCO[C@@H](c2ncon2)C1	831988299	KWCWHBYPRFHKBN-MRVPVSSYSA-N	281.293	1.050	10	20	CDCD	
CO[C@@H]1CCC[C@H]1NC(=O)NCc1ccccc1O	836605963	DEWJYKYJVVGKGO-DGCLKSJQSA-N	264.325	1.759	10	20	CDCD	
O=C(NCCc1cscn1)c1cc(O)cs1	736673407	JLIAZUCAXKDEHJ-UHFFFAOYSA-N	254.336	1.883	10	20	CDCD	
CO[C@@H]1CCN(C(=O)c2ccc(C)c(O)c2O)C[C@@H]1C	836839072	XTYYPBMFQIUHRY-CMPLNLGQSA-N	279.336	1.903	10	20	CDCD	
C[C@H](NCc1ccc(N2CCOCC2)cc1)[C@H](C)C(=O)O	901444924	KGCUUXKOJYQONT-STQMWFEESA-N	292.379	1.722	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](C)C[C@H](C)N	831132639	FRSHOQCMDHBMNG-QWHCGFSZSA-N	292.427	1.986	10	20	CDCD	
COCC1CN(C(=O)c2ccc(C)c(O)c2O)C1	911964008	CTUHMCOMGWUUPQ-UHFFFAOYSA-N	251.282	1.125	10	20	CDCD	
Nc1ccc(NC(=O)[C@H]2CCc3cncn3C2)cc1	911661522	WEQZXBHIOSYDDA-JTQLQIEISA-N	256.309	1.666	10	20	CDCD	
COc1cccc(CNC[C@@H]2CC(=O)N(C3CC3)C2)c1O	846075489	PABGSHPCKHDEJB-NSHDSACASA-N	290.363	1.501	10	20	CDCD	
CC(C)[C@@H](N)CNC(=O)NCc1ccc(N(C)C)c(F)c1	841759518	HCGXFYAFZAKVRR-ZDUSSCGKSA-N	296.390	1.674	10	20	CDCD	
O=C(NCCOc1ncccc1F)c1cc(O)cs1	747616380	IBPNKAGNHCJQBD-UHFFFAOYSA-N	282.296	1.797	10	20	CDCD	
Cc1nc(O)[nH]c1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	847695761	HSBIZBDGCJPBKG-ZETCQYMHSA-N	291.307	1.196	10	20	CDCD	
O=C(/C=C/C1CCOCC1)NCc1ccc(O)cc1O	910953542	DORYHFSIXJVTIX-DAFODLJHSA-N	277.320	1.697	10	20	CDCD	
CN(C)c1ccc([C@H](N)CN[C@@H]2CCCNCC2)cc1	841042692	MKFQYCWEEWPART-GDBMZVCRSA-N	276.428	1.484	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H]2CCC[C@H](N)C2)c1O	841059164	ZZFURLNAFYKLOL-WDEREUQCSA-N	295.339	1.669	10	20	CDCD	
Cc1cc(O)c(CNCCN2CC[C@@H](O)C2)cc1C	858297614	HVGISBSXZDXQIY-CQSZACIVSA-N	264.369	1.165	10	20	CDCD	
COc1cccc(CNC(=O)[C@@H](C)c2cnn(C)c2)c1O	750239091	KPKCIFYPJOAPLT-JTQLQIEISA-N	289.335	1.554	10	20	CDCD	
CCN(CC)c1ccc(CN[C@@H]2CCOC[C@H]2O)cc1F	858300720	MSYMVNDEBJCDTE-GDBMZVCRSA-N	296.386	1.911	10	20	CDCD	
Cc1cc(C(=O)N2C[C@@H](C)[C@@H](O)C2)c(C)n1-c1ccccn1	768823917	BWWXYGYWBAFLRW-ABAIWWIYSA-N	299.374	1.942	10	20	CDCD	
CN1CCC(CNC(=S)NCc2cccn2C)CC1	760484397	DVTNSQQFVCPKSW-UHFFFAOYSA-N	280.441	1.331	10	20	CDCD	
Cc1cccc(O)c1CN1CC[C@@H](OC(=O)N(C)C)C1	877558333	DEZSDBNMHJHPFE-GFCCVEGCSA-N	278.352	1.973	10	20	CDCD	
Cc1cccc(O)c1CN1C[C@@H](C)S(=O)(=O)[C@H](C)C1	877541172	CUHBPQFKERBXAS-VXGBXAGGSA-N	283.393	1.708	10	20	CDCD	
CN[C@@H](C)CCNC(=O)N[C@@H](C)c1cc(OC)ccc1O	1118031199	AFDIACQTSVZDKU-QWRGUYRKSA-N	295.383	1.759	10	20	CDCD	
CN(C)c1ccc(CNC2CCN(CC(=O)O)CC2)cc1	874048157	LIVMBFXYOBQFSD-UHFFFAOYSA-N	291.395	1.391	10	20	CDCD	
Cc1ccc(O)c(CNCc2ccnc(N(C)C)n2)c1	776495893	DMUMBLXOOXOFCC-UHFFFAOYSA-N	272.352	1.846	10	20	CDCD	
Cc1cccc(O)c1CN1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O	877467155	XARBFBWGOBECKK-SLEUVZQESA-N	274.364	1.786	10	20	CDCD	
C[C@@H]1C[C@@H](NC(=O)/C=C\c2ccc(O)c(O)c2)CCN1C	779526101	VJNJURWILGXEGA-FJYXQWIHSA-N	290.363	1.710	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@H](N)CC2CC2)cc1F	884205472	XTQNHHVLZYHGEV-CYBMUJFWSA-N	279.359	1.635	10	20	CDCD	
C[C@@H](NC(=O)c1ccc(O)nn1)c1ccc(N(C)C)cc1	773020659	PZMPRCAPJMARSB-SNVBAGLBSA-N	286.335	1.739	10	20	CDCD	
Cc1cc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)ncn1	773740699	OCWFDRFLHMQYGQ-SNVBAGLBSA-N	287.319	1.557	10	20	CDCD	
CN(C[C@@H]1CCOC1)C(=O)NCc1ccc(N)cc1	1120591986	OCBSDGKRMGRREU-LBPRGKRZSA-N	263.341	1.447	10	20	CDCD	
CCC1(C(=O)OCC(=O)c2ccc(O)c(O)c2)COC1	784082748	CIKQPAYSRKCVCI-UHFFFAOYSA-N	280.276	1.250	10	20	CDCD	
COCCONC(=O)NCc1ccc(N(C)C)c(F)c1	788926772	NYABTGIHRXKNGE-UHFFFAOYSA-N	285.319	1.269	10	20	CDCD	
CN(C(=O)C1CCS(=O)(=O)CC1)c1ccc(N)cc1	1330608832	VWPLAYDYWQITPZ-UHFFFAOYSA-N	282.365	1.056	10	20	CDCD	
CC(C)n1nccc1/C=C1\C(=O)NN(c2ccccc2)C1=O	794936706	YRVFJCUKXALCLO-GXDHUFHOSA-N	296.330	1.925	10	20	CDCD	
C[C@H](NCc1ccc2c(c1)CCO2)C(=O)N1CCCC1	134490206	LTOSNORGOCJOJE-LBPRGKRZSA-N	274.364	1.722	10	20	CDCD	
C[C@@H](NC[C@@]1(O)CCN(C)C1)c1ccc(N(C)C)cc1	702566580	JWVHRPAEGDBOGW-CJNGLKHVSA-N	277.412	1.470	10	20	CDCD	
COCCO[C@@H]1CCN(Cc2cc(OC)ccc2O)C1	188811057	MZYNYLIMWKMKTC-CQSZACIVSA-N	281.352	1.638	10	20	CDCD	
Cc1nn(C)c(C)c1C(=O)NCc1ccccc1O	82284677	KRBPRBMMKFSWTL-UHFFFAOYSA-N	259.309	1.673	10	20	CDCD	
CCCNC(=O)[C@@H](C)NC(=O)c1cc(O)cs1	1339234240	PQVOJTHHXDPTOM-SSDOTTSWSA-N	256.327	1.098	10	20	CDCD	
O=C(O)[C@@H](NCc1cc(F)cc(F)c1O)[C@@H]1CCOC1	1334053700	CWBLEPXDIKVEPD-HQJQHLMTSA-N	287.262	1.250	10	20	CDCD	
CN(Cc1nncs1)c1ccc(OCC(=O)O)cc1	1606179100	DOQHFSJKQVLRPA-UHFFFAOYSA-N	279.321	1.638	10	20	CDCD	
CCOc1ccc(N2CCN(C(=O)CC#N)CC2)cc1	5694326	VFAGRXYUARKGOQ-UHFFFAOYSA-N	273.336	1.648	10	20	CDCD	
COc1ccc(CN[C@H]2C[C@@H](NC(C)=O)C2)cc1C	1021751173	DRPRJGBIGGQOEH-OKILXGFUSA-N	262.353	1.760	10	20	CDCD	
COc1cccc(O)c1CN(C)C[C@H]1CCCN1C	817417471	NNNFUNZGQSYZIV-GFCCVEGCSA-N	264.369	1.927	10	20	CDCD	
COCC[C@@](C)(O)CNCc1ccc2c(c1)CCCO2	921749490	KTCVHUQRJQPZAA-MRXNPFEDSA-N	279.380	1.889	10	20	CDCD	
CC[C@H](C)NC(=O)CCNC(=O)Cc1ccc(N)cc1	38014918	WYFRIORJJUXUNO-NSHDSACASA-N	277.368	1.232	10	20	CDCD	
Cc1nn(C)c(C)c1CC(=O)NCc1ccc(N)cc1	701128091	QJJSCAUDXYXORP-UHFFFAOYSA-N	272.352	1.478	10	20	CDCD	
CCc1cccc(CN[C@@H](C)C[S@@](C)=O)c1O	691527926	VNWYHGYFISIUNG-DYZYQPBXSA-N	255.383	1.811	10	20	CDCD	
COc1ccc(O)c(CNC(=O)NCC2CC2)c1	114585484	SLXAIHCZVSGCTN-UHFFFAOYSA-N	250.298	1.610	10	20	CDCD	
C[C@H](CS(C)(=O)=O)C(=O)NCc1ccc(N(C)C)cc1	176438336	GQFWLAVYNHSJFQ-LLVKDONJSA-N	298.408	1.050	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)COCC1CC1	173201915	WERRZKFEICCXHN-UHFFFAOYSA-N	290.363	1.905	10	20	CDCD	
COC[C@@H](C)NCc1ccc(N2CCOCC2)c(F)c1	66969639	DMGACPKTJAZTNR-GFCCVEGCSA-N	282.359	1.787	10	20	CDCD	
COc1ccc(O)c([C@H](C)NCCC2OCCO2)c1	125446365	NMCFDWRNIIGYFP-JTQLQIEISA-N	267.325	1.814	10	20	CDCD	
O=C(NC[C@H]1Cc2ccccc2O1)c1cccc(O)c1O	126378251	GRNREWJKYVTGLF-LLVKDONJSA-N	285.299	1.831	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1CC(=O)C1	186401099	NZTAKFDKNCCCIB-MRVPVSSYSA-N	263.293	1.124	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1cnn(C)c1N	186755269	WNJKTJDSQPCLDK-UHFFFAOYSA-N	287.367	1.341	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NCC(C)(C)C(N)=O)cc1	127668802	ZQUKFHHQJKAEQX-UHFFFAOYSA-N	292.383	1.063	10	20	CDCD	
CCOC(=O)N1CC[C@H](NCc2cc(F)ccc2O)C1	186475783	KGZJLFYJKCRWCB-LBPRGKRZSA-N	282.315	1.852	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CCOC[C@@H]1C1CC1	181271537	COJLKSVQUNHCHE-ZABGRMTBSA-N	289.331	1.748	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)CNC(=O)NC	89574439	MTFHYSGVWZNZIC-UHFFFAOYSA-N	279.340	1.060	10	20	CDCD	
C[C@H](NCCS(=O)(=O)N(C)C)c1ccc(F)cc1O	230989898	SZUVEBMXCGBEJS-VIFPVBQESA-N	290.360	1.073	10	20	CDCD	
CSC[C@H](C)C(=O)NCCc1ccc(N)cc1	237365958	IRBWGWFYQYQSRU-JTQLQIEISA-N	252.383	1.927	10	20	CDCD	
Cc1c(CNC(=O)CCc2nc[nH]n2)n(C)c2ccccc12	352125688	KQNVIHXVBJWCMM-UHFFFAOYSA-N	297.362	1.854	10	20	CDCD	
CCCN1CC(=O)N(Cc2ccc(N(C)C)cc2)C1=O	277203089	DHGAJJGCLQPWDW-UHFFFAOYSA-N	275.352	1.927	10	20	CDCD	
C[C@]1(O)CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1	280698255	WPPFRNFOTUOQGZ-NBUZRDOWSA-N	291.347	1.875	10	20	CDCD	
CCn1c(SCC(=O)C(C)=O)nc2ccccc2c1=O	289687416	QCTMZQVVMINCJU-UHFFFAOYSA-N	290.344	1.667	10	20	CDCD	
CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@@H](C)OC	819696357	QQEWABYXZSDWQI-LLVKDONJSA-N	295.335	1.319	10	20	CDCD	
CN1CCC(CC(=O)NCc2ccc(O)c(O)c2)CC1	813490559	LDKZYNZWAFYIJO-UHFFFAOYSA-N	278.352	1.446	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1C[C@H]2CC[C@H]1CN2	817865453	UIJHWYOZZIBCND-ZBFHGGJFSA-N	259.397	1.997	10	20	CDCD	
OCC1(O)CCN(Cc2c(O)ccc(Cl)c2F)CC1	827146054	BQFPTLNCXUJGSR-UHFFFAOYSA-N	289.734	1.504	10	20	CDCD	
C[C@H]1CC(NC(=O)c2c(F)ccc(O)c2O)C[C@H](C)O1	827631040	ZPEFREALVVXBET-YUMQZZPRSA-N	283.299	1.923	10	20	CDCD	
CO[C@](C)(C(=O)O)C(=O)N[C@@H](C)c1ccccc1O	902516802	LITJRDTXGQPZFQ-SDBXPKJASA-N	267.281	1.059	10	20	CDCD	
CCN(CCO)c1ccc(/C=C\C(=O)O)cc1[N+](=O)[O-]	737104050	MSCHTPIXHUJYNE-XQRVVYSFSA-N	280.280	1.511	10	20	CDCD	
COCCn1ccc(NC(=O)c2cc(O)cs2)n1	732281967	HIZPGVRBYUBEDL-UHFFFAOYSA-N	267.310	1.549	10	20	CDCD	
CN(C)c1ccc(CNC[C@]2(C)CCC(=O)N2)cc1	835060501	FIJFXPQGEPBSEB-HNNXBMFYSA-N	261.369	1.511	10	20	CDCD	
CN(C)C(=O)[C@@H]1CCN(Cc2ccc(N(C)C)c(F)c2)C1	840959043	XGZOGCVTIYSQMO-CYBMUJFWSA-N	293.386	1.802	10	20	CDCD	
C[C@@H](CCN)NC(=O)N(C)Cc1ccc(N(C)C)cc1	841966286	BECXHLKQPQUSMX-LBPRGKRZSA-N	278.400	1.631	10	20	CDCD	
Oc1cc2c(cc1CNC[C@@H]1CCCCN1)OCO2	841032606	HNNCPPVIYIBPOF-NSHDSACASA-N	264.325	1.353	10	20	CDCD	
COC[C@@H](C)S(=O)(=O)NCc1cc(Cl)ccc1O	845997826	HGBXEPKNKDHYKD-MRVPVSSYSA-N	293.772	1.500	10	20	CDCD	
COc1cccc([C@@H](C)NC[C@@H](O)COCC2CC2)c1O	846142383	SHGXLWSKEQJZDX-DGCLKSJQSA-N	295.379	1.839	10	20	CDCD	
CC(=O)N1CCN(Cc2ccc(N(C)C)cc2C)CC1	840908304	RRVKEBJXNODCPH-UHFFFAOYSA-N	275.396	1.725	10	20	CDCD	
COc1cccc([C@@H](C)NCCCS(C)(=O)=O)c1O	846143663	FNSRHPAHNMKVAY-SNVBAGLBSA-N	287.381	1.486	10	20	CDCD	
CCOC[C@@H](C)NC[C@@H](N)c1ccc(N(C)C)cc1	841045825	QYEFEDNWTVKUMW-IUODEOHRSA-N	265.401	1.767	10	20	CDCD	
COc1ccc(CNC(=O)N[C@H]2CC[C@H](CN)C2)c(O)c1	842011322	SKEPBEAHXHEDIS-JQWIXIFHSA-N	293.367	1.327	10	20	CDCD	
COc1cccc(CN[C@@H](CN)CC(C)C)c1O	841038891	TXKDHTMSIWHHRE-GFCCVEGCSA-N	252.358	1.864	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)CCC(=O)O	842587798	JJIVDIQNZHBOGR-UHFFFAOYSA-N	265.309	1.996	10	20	CDCD	
CN1CCN(Cc2cc3c(cc2O)CCCC3)CC1=O	844729650	GHQYBKJYHNDYSB-UHFFFAOYSA-N	274.364	1.545	10	20	CDCD	
C[C@@H](NCC(=O)Nc1cnccn1)c1ccc(N(C)C)cc1	851950662	QWYKGXUZFNLJGR-GFCCVEGCSA-N	299.378	1.832	10	20	CDCD	
CC(=O)N1CC[C@@H](N[C@@H](C)c2ccc(C)cc2O)C1	857083950	CAZCBRIBXGJPCG-WCQYABFASA-N	262.353	1.972	10	20	CDCD	
O=C(NC/C=C\CO)NCc1ccc(N2CC=CC2)cc1	853776162	NIGXKXWOIGLSFL-RJRFIUFISA-N	287.363	1.411	10	20	CDCD	
CCC(C)(C)NC(=O)[C@H](C)OC(=O)c1cccc(O)c1O	758547366	KDDGWIVACWBFPG-VIFPVBQESA-N	295.335	1.948	10	20	CDCD	
CCOC(=O)C1=NN(c2ccccc2C)C(=O)[C@H]1C	871941281	YIROIXGTBWSEDN-JTQLQIEISA-N	260.293	1.897	10	20	CDCD	
CO[C@H](C(=O)NCc1cc(C)ccc1O)c1cnn(C)c1	862755361	FRVLTGGUMGZLJG-AWEZNQCLSA-N	289.335	1.438	10	20	CDCD	
CCCCN(Cc1ccccc1O)C[C@H](O)[C@H](C)O	930351311	OKICJDULLNWDKS-WFASDCNBSA-N	267.369	1.736	10	20	CDCD	
C[C@@H](NS(=O)(=O)CCn1cccn1)c1ccccc1O	867834008	CGWXCIAFDREFCB-LLVKDONJSA-N	295.364	1.269	10	20	CDCD	
COc1cc(O)c(CN2CC[C@@H](OC)C2)cc1OC	768464913	XDRZLHMCLNJUQU-LLVKDONJSA-N	267.325	1.630	10	20	CDCD	
C[C@H](NC[C@@]1(O)CCN(C)C1)c1cc(F)cc(F)c1O	762784874	BEYUKHFKVFCBPG-XPTSAGLGSA-N	286.322	1.388	10	20	CDCD	
CNC(=O)[C@@H]1CCC[C@@H]1NCc1cc([N+](=O)[O-])ccc1O	765798968	WTDFWOLKRBFOMY-NEPJUHHUSA-N	293.323	1.305	10	20	CDCD	
COCCN(CCC(=O)OC)Cc1cccc(OC)c1O	769423019	OLEVYQOKYXCUKH-UHFFFAOYSA-N	297.351	1.412	10	20	CDCD	
CN1CCN(Cc2c(O)ccc(Cl)c2F)[C@@H](CO)C1	877644939	WNEMEOCZDXZZLS-SECBINFHSA-N	288.750	1.293	10	20	CDCD	
COc1cccc(CN[C@@H]2CCCNC(=O)C2)c1O	877526610	SZADGYGGYLWCHA-LLVKDONJSA-N	264.325	1.159	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N[C@H]1CCc2c[nH]nc2C1	779529282	SVQNKOQDUBSBLU-DWMUBGRBSA-N	299.330	1.508	10	20	CDCD	
NC(=O)c1cc(Cl)nnc1NCc1ccccc1O	774524438	TVSCAAKHEVCCMK-UHFFFAOYSA-N	278.699	1.547	10	20	CDCD	
COc1cc(O)c(CN2C[C@@H]3CNC[C@H]3C2)cc1OC	775748390	XZWHXOWRUOAIKC-RYUDHWBXSA-N	278.352	1.061	10	20	CDCD	
CONC(=O)C1CCN(Cc2c(O)cccc2OC)CC1	877786227	AGCTUKUIYFGOBE-UHFFFAOYSA-N	294.351	1.290	10	20	CDCD	
C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1nncn1C	779480605	YOZQGAWIDNCRRX-DNQSNQRASA-N	288.307	1.117	10	20	CDCD	
C[C@@H]1CCN2[C@@H](C1)C(=O)N[C@@H]2c1cccc(F)c1O	777901419	XIPIYTIGEFTEIT-WLTAIBSBSA-N	264.300	1.760	10	20	CDCD	
CCN(C[C@H]1CN(C)C(=O)O1)c1ccc(OC)c(OC)c1	1117706747	NOURCRZDQGTUBE-GFCCVEGCSA-N	294.351	1.981	10	20	CDCD	
C[C@@H]1CCNC(=O)[C@H]1NCc1cc(F)cc(F)c1O	883111951	UTEOEVOQPWCEBB-HQJQHLMTSA-N	270.279	1.285	10	20	CDCD	
CO[C@@H](CNCc1ccc2c(c1)CCCO2)C(=O)O	1120001143	JVBXNGPLWWLWQY-ZDUSSCGKSA-N	265.309	1.201	10	20	CDCD	
Cc1ccc(C(=O)N2C[C@@H](C)N(C)C[C@@H]2C)c(O)c1O	781009197	VCCGWCUCPNKUOP-MNOVXSKESA-N	278.352	1.571	10	20	CDCD	
C[C@H](N[C@H]1CCc2c(nnn2C)C1)c1c(O)cccc1F	886633088	MUFKCTPYQXIFSB-UWVGGRQHSA-N	290.342	1.868	10	20	CDCD	
CCOCc1cn(Cc2ccc(N(C)C)cc2)nn1	881272276	QXHGWVCTHOFEHZ-UHFFFAOYSA-N	260.341	1.929	10	20	CDCD	
CCOc1ccc(CN[C@H](C)C(=O)N(C)CC)c(O)c1	788972600	ARZWQDUPOULABS-LLVKDONJSA-N	280.368	1.747	10	20	CDCD	
C[C@]1(C(=O)OCC(=O)c2ccc(O)c(O)c2)CCOC1	784694387	FQJIEFTVQAYGOZ-AWEZNQCLSA-N	280.276	1.250	10	20	CDCD	
C[C@H](NC[C@]1(O)CCO[C@H]1C)c1cc(F)cc(F)c1O	788623972	LWROQOUVTDDKFA-UINNMSKDSA-N	287.306	1.861	10	20	CDCD	
C[C@H]1C[C@H](O)CN1Cc1ccc(N2CCOCC2)c(F)c1	788266757	BJCUXMSMLAKBHU-JSGCOSHPSA-N	294.370	1.617	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H](C)C[C@@H](C)O)c(O)c1O	783631197	MXQCFBWMTYCJJX-DTWKUNHWSA-N	253.298	1.295	10	20	CDCD	
COc1cccc(CN2CC(N3CCCC3=O)C2)c1O	897786667	UQVGRUNTNXVLPW-UHFFFAOYSA-N	276.336	1.207	10	20	CDCD	
C[C@@H](O)CCCOC(=O)/C=C\c1ccc(O)c(O)c1	795562323	SLFRHJJTHBZWJO-ONRRBMGISA-N	266.293	1.815	10	20	CDCD	
COc1ccc(CNC(=O)CC[C@@H]2CCCO2)c(O)c1	794389570	RJRPNLSPXPHXMA-LBPRGKRZSA-N	279.336	1.976	10	20	CDCD	
C[C@H]1[C@@H](C)OCCN1C(=O)c1cccc(O)c1O	193137500	VCYNZSBBIIDNFI-DTWKUNHWSA-N	251.282	1.347	10	20	CDCD	
C[C@H](O)CN(C)Cc1ccc(N2CCN(C)CC2)c(F)c1	1255242437	HNNBXGWKYUGCQU-ZDUSSCGKSA-N	295.402	1.390	10	20	CDCD	
COC(=O)[C@@H]1CN(Cc2ccc(N)cc2)C[C@H](C)O1	1337837323	ARXWEALGNORPOH-GWCFXTLKSA-N	264.325	1.031	10	20	CDCD	
Cc1cccc(CN[C@H](C[C@H]2CCCO2)C(=O)O)c1O	1600532618	WANPMGKNDIRZQF-CHWSQXEVSA-N	279.336	1.813	10	20	CDCD	
CCOc1cccc(CNCC(=O)N(CC)CC)c1O	134492878	LZPCODBQZXRVJG-UHFFFAOYSA-N	280.368	1.749	10	20	CDCD	
Oc1c(CN[C@@H]2C[C@H]3CN[C@@H](C3)C2)ccc(F)c1F	1580885552	DUPPDGGWDICWBO-INTQDDNPSA-N	268.307	1.901	10	20	CDCD	
CN(CC(=O)NCC1CC1)c1ccc(OCC(=O)O)cc1	1598391774	CWAHBZVDTSHNKO-UHFFFAOYSA-N	292.335	1.112	10	20	CDCD	
O=C(O)c1ccc(CNCc2ccc(CO)o2)c(O)c1	1777675995	JOUQPTPAKYEHRZ-UHFFFAOYSA-N	277.276	1.466	10	20	CDCD	
CC[C@H]1C(=O)NCCN1Cc1cc(C)cc(C)c1O	164303652	AXTYRSCQFNNXKI-ZDUSSCGKSA-N	262.353	1.719	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)Nc1ccnn1C	154873815	ACLUOTDFHQVRAF-UHFFFAOYSA-N	260.297	1.790	10	20	CDCD	
C[C@H](NC(=O)c1cccc(O)c1O)C(=O)OC(C)(C)C	126734096	FLDXPSGSBWQXRM-QMMMGPOBSA-N	281.308	1.558	10	20	CDCD	
CCOc1cccc(CN[C@H](C)[C@@H](CO)SC)c1O	152486780	AIPRDVJCJDGSGZ-ZWNOBZJWSA-N	285.409	1.993	10	20	CDCD	
CC[C@H](NCC1(CO)COC1)c1ccccc1O	271689742	KAQSWBKMLOALQD-LBPRGKRZSA-N	251.326	1.442	10	20	CDCD	
Cn1ncnc1CNCc1cccc(Br)c1O	389319921	FDYFCVJNVRXARR-UHFFFAOYSA-N	297.156	1.573	10	20	CDCD	
Oc1ccc(Cl)cc1CN1C[C@@H]2CC[C@H](C1)N2	873216001	HUDLZLXJMNQZBH-TXEJJXNPSA-N	252.745	1.982	10	20	CDCD	
COc1cc(Cl)cc(CN2CC[C@@H](N)C2)c1O	229102613	YVXMCBQPCODKOF-SNVBAGLBSA-N	256.733	1.587	10	20	CDCD	
CC[S@](=O)c1ccccc1C(=O)N1CCS(=O)CC1	108275701	PIGDSGFOWSMKGY-LJQANCHMSA-N	299.417	1.019	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](C)NC(C)=O	70899756	DPPXYYPCYHRLKW-GFCCVEGCSA-N	291.395	1.626	10	20	CDCD	
CC[C@@H](CCO)NC(=O)NCc1ccc(N(C)C)c(F)c1	77800299	QNZVWCCRQMHAHK-LBPRGKRZSA-N	297.374	1.852	10	20	CDCD	
CC(C)C[C@@H](CO)NC(=O)c1cccc(O)c1O	126614506	LIHRYQOZDBAJLK-VIFPVBQESA-N	253.298	1.235	10	20	CDCD	
CCCCCN1CC(=O)N[C@@H]1c1ccc(O)c(O)c1	182335749	YCRJRFBHOHIQTO-AWEZNQCLSA-N	264.325	1.718	10	20	CDCD	
CS(=O)(=O)CCCCCNCc1cc(F)ccc1O	187692724	QGBVIOLERCCKES-UHFFFAOYSA-N	289.372	1.836	10	20	CDCD	
CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(O)c1O	189486712	BEIAAEXYDFAWEM-NEPJUHHUSA-N	290.363	1.797	10	20	CDCD	
COc1cccc(CN2CCC[C@H]2CC(=O)O)c1O	86791232	NHHMKZLENSNNGY-NSHDSACASA-N	265.309	1.840	10	20	CDCD	
O=C(CCc1cccnc1)NCCc1ccc(O)c(O)c1	96968143	ZDESFSLKDIATHJ-UHFFFAOYSA-N	286.331	1.784	10	20	CDCD	
CN1CCN(Cc2ccc(N(C)C)cc2)C(C)(C)C1=O	93642482	QUUUHQKQYVKDDX-UHFFFAOYSA-N	275.396	1.805	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)NCCC[C@@H](C)O)c1	279183664	VTHQYMSTJRVMKH-GHMZBOCLSA-N	281.352	1.990	10	20	CDCD	
COc1cc(O)c(CNCC2(O)CCOCC2)cc1OC	271834832	FQHVAEWRDSWTSP-UHFFFAOYSA-N	297.351	1.041	10	20	CDCD	
COC(=O)COc1ccc(N(C)Cc2cnn(C)n2)cc1	289612238	UJFOJJUVUWWDOD-UHFFFAOYSA-N	290.323	1.003	10	20	CDCD	
Cn1nncc1NC(=O)NCc1ccc(N2CC=CC2)cc1	809900731	DNKHSWOIQJLRSW-UHFFFAOYSA-N	298.350	1.513	10	20	CDCD	
CN(C(=O)/C=C\c1cncc(F)c1)c1ccc(C(N)=O)cc1	729330191	MDTBTNCTXGJQKV-UQCOIBPSSA-N	299.305	1.996	10	20	CDCD	
C[C@H]1CN(Cc2ccccc2O)C[C@@H](C)N1CCO	824925699	CXIIFRGWRMHIMB-BETUJISGSA-N	264.369	1.279	10	20	CDCD	
C=CC(=O)NCCC(=O)N[C@H](C)c1ccccc1O	827940339	AZXFCGLTPBXOIJ-SNVBAGLBSA-N	262.309	1.262	10	20	CDCD	
C[C@@H]1CN=C(NC(=O)c2c(F)ccc(O)c2O)S1	822481210	MOUMBLABGJFXEA-RXMQYKEDSA-N	270.285	1.458	10	20	CDCD	
CCc1noc(C(=O)NCc2ccc(N(C)C)cc2C)n1	902635866	NSBWSVJZVCIVFK-UHFFFAOYSA-N	288.351	1.936	10	20	CDCD	
Cc1cc(O)c(CN2CCO[C@@H](C(=O)O)C2)cc1C	738241313	WVVKSKVYKKBHPI-CYBMUJFWSA-N	265.309	1.294	10	20	CDCD	
CSCC[C@@H](O)C(=O)NCc1ccc(N(C)C)cc1	270801890	ZVJJTFITCCPFCH-CYBMUJFWSA-N	282.409	1.483	10	20	CDCD	
CNCCCNC(=O)NCc1ccc(N2CC=CC2)cc1	841831726	CZZAYCXBJFNUGS-UHFFFAOYSA-N	288.395	1.472	10	20	CDCD	
C[C@H](O)CCOC(=O)/C=C/c1ccc(O)c(O)c1	849745257	NGTVBBDSNKXVGA-SGRBOOSSSA-N	252.266	1.425	10	20	CDCD	
CCC[C@H](CCO)CNC(=O)c1cc(O)cs1	748377868	YBOQQVDWNZKCIM-SECBINFHSA-N	257.355	1.982	10	20	CDCD	
OC[C@@H](CCF)NCc1cc(Cl)cc(F)c1O	846099857	KYPRNMWOZXQCLR-SECBINFHSA-N	265.687	1.995	10	20	CDCD	
C[C@@H]1C[C@@H](CN)CN1C(=O)NCc1ccc(N(C)C)cc1	841654034	LYIGJCBVUWMDQJ-OCCSQVGLSA-N	290.411	1.631	10	20	CDCD	
CC(C)(C)N1CC[C@H](NC(=O)Cc2ccc(N)cc2)C1=O	843503969	IDNXYXKPEZMEEQ-ZDUSSCGKSA-N	289.379	1.327	10	20	CDCD	
COc1ccc(CNC(=O)C(C)(C)CNC(C)=O)c(O)c1	846061768	SPGYMIZQEFUUMI-UHFFFAOYSA-N	294.351	1.179	10	20	CDCD	
Nc1ccc(NC(=O)C(=O)N2C[C@@H](C3CC3)[C@@H]2C2CC2)cc1	841142125	KKAVKWVJUJGQLQ-GJZGRUSLSA-N	299.374	1.854	10	20	CDCD	
O=C(NCc1cc(Cl)ccc1O)c1cn[nH]c1	857547359	ADWVLGIPGNMHMI-UHFFFAOYSA-N	251.673	1.699	10	20	CDCD	
O=C1NC(=S)S/C1=C/c1cc2c(cc1O)OCO2	920398190	WWLVLLDRAGVKGQ-XNWCZRBMSA-N	281.314	1.610	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CN2CCn3ccnc32)cc1	931523228	BZQTUZWNKCENOT-UHFFFAOYSA-N	299.378	1.086	10	20	CDCD	
Cc1cc(O)c(CNC(C)(C)CS(C)(=O)=O)cc1C	762787325	QSAUQRXQVYJDTC-UHFFFAOYSA-N	285.409	1.922	10	20	CDCD	
CCOC[C@H]1CCN(Cc2cc3c(cc2O)OC[C@H]3O)C1	768464194	ODDPJQABKXWDNA-XHDPSFHLSA-N	293.363	1.676	10	20	CDCD	
Cc1ccc(CNC[C@@]2(O)CCO[C@H]2C)c(O)c1	877489020	JPMCHYNYLPWVFS-FZMZJTMJSA-N	251.326	1.330	10	20	CDCD	
CN(Cc1cnn(C)c1)Cc1cc2c(cc1O)OC[C@H]2O	768438532	BGKJSIMMDIKIJR-CQSZACIVSA-N	289.335	1.184	10	20	CDCD	
COCCOC1CN(Cc2cc(C)c(C)cc2O)C1	779432314	RFBCVPJXDXJLGM-UHFFFAOYSA-N	265.353	1.856	10	20	CDCD	
COC(=O)C[C@]1(NCc2ccc(C)cc2O)CCOC1	877379629	DRGNLWSRHJERCO-OAHLLOKOSA-N	279.336	1.512	10	20	CDCD	
CCOCCONC(=O)/C=C/c1ccc(O)c(O)c1	775238980	QYLMVQHVNDRSRA-GQCTYLIASA-N	267.281	1.195	10	20	CDCD	
COc1ccc(O)c(CNC(=O)C(C)(C)CO)c1	776349917	MKFYOACXXJHNDQ-UHFFFAOYSA-N	253.298	1.036	10	20	CDCD	
C[C@@H]1CSCCN1C(=O)NCc1ccc(N)cc1	1120591752	HROARHSARBEVTN-SNVBAGLBSA-N	265.382	1.916	10	20	CDCD	
Nc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1O	787132372	ZMAGCAYIFFCACR-UHFFFAOYSA-N	287.275	1.813	10	20	CDCD	
COc1cc(C)cc(CNCCOC[C@H]2CCOC2)c1O	894227466	ZHIHQMMATHUMQT-ZDUSSCGKSA-N	295.379	1.852	10	20	CDCD	
CC[C@@H](C)[C@@](C)(O)CNC(=O)c1ccc(C)c(O)c1O	780956273	TVTYMPQQEABYGT-BMIGLBTASA-N	281.352	1.933	10	20	CDCD	
COc1ccc(CN(C)C2(CO)CCC2)c(O)c1OC	895475658	JXKFMCCSLPPRMU-UHFFFAOYSA-N	281.352	1.756	10	20	CDCD	
CC[C@@H](NCc1ccc(OC)c(OC)c1O)[C@H](C)O	894736272	SPPRQYCDAVABON-GXSJLCMTSA-N	269.341	1.658	10	20	CDCD	
CNC(=O)CCCN(C)Cc1ccc(OC)c(OC)c1O	892126867	JYDYGQMGEVWSBN-UHFFFAOYSA-N	296.367	1.367	10	20	CDCD	
CN(CCNC(=O)N(C)C)Cc1cc(F)cc(F)c1O	894375800	UZHWVAILYRMCDP-UHFFFAOYSA-N	287.310	1.373	10	20	CDCD	
CCOc1cccc(CN2CC(N3CCCC3=O)C2)c1O	897786014	GJAMFTIKHVIJPV-UHFFFAOYSA-N	290.363	1.598	10	20	CDCD	
Cc1cc(NS(=O)(=O)c2c(N)noc2C)ccc1O	798247459	ALRWKTLUBZUZDB-UHFFFAOYSA-N	283.309	1.380	10	20	CDCD	
CC[C@H](C)[C@H](N)C(=O)NCc1ccc(OC)cc1O	83492524	SCUHKVGKCYACOT-ZANVPECISA-N	266.341	1.390	10	20	CDCD	
C[S@@](=O)C1(CNC(=O)c2cccc(O)c2O)CCC1	281801181	MQKOUWUUPGYJFP-LJQANCHMSA-N	283.349	1.129	10	20	CDCD	
C[C@H](CNCc1cc(F)cc(F)c1O)CN(C)C	708446183	ZRQUDEGWOMFMRU-SECBINFHSA-N	258.312	1.958	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)N[C@@H](C)c2noc(C)n2)c1	1329175441	SWGWFNMZOMHTKN-VIFPVBQESA-N	290.323	1.952	10	20	CDCD	
CC1(C)[C@H](O)C[C@H]1NC(=O)NCc1ccc(N)cc1	1335736726	GYLHHHBYUONWFL-VXGBXAGGSA-N	263.341	1.227	10	20	CDCD	
COC(=O)N(C)CCNCc1cc(F)ccc1O	689544483	DKILKMARZZRFOM-UHFFFAOYSA-N	256.277	1.319	10	20	CDCD	
NC[C@H]1CCCN(C(=O)NCc2ccc(N)cc2)C1	1336289871	BKFFWAAMWVZEQR-GFCCVEGCSA-N	262.357	1.149	10	20	CDCD	
CCN1CCC[C@@H](CNC(=O)Cc2ccc(N)cc2)C1	1332156019	DPXWHSAUTXGLFX-AWEZNQCLSA-N	275.396	1.659	10	20	CDCD	
O=C(O)c1cnc(SCCN2C(=O)CCC2=O)s1	1602537545	USUSNYHRWOOGST-UHFFFAOYSA-N	286.334	1.082	10	20	CDCD	
CC(C)Nc1ccccc1NCC(=O)NCC(=O)O	1603074472	NJECWNVQHHOXGO-UHFFFAOYSA-N	265.313	1.120	10	20	CDCD	
C[C@H](O)C[C@@H](C)N[C@@H](C)c1cccc(-c2nn[nH]n2)c1O	1603695270	JPFGAOHEZUFAJK-UTLUCORTSA-N	291.355	1.382	10	20	CDCD	
Cc1cc(C)n(CC(=O)NCc2cccc(O)c2O)n1	1471643876	LYNRHAAXZOQGHO-UHFFFAOYSA-N	275.308	1.228	10	20	CDCD	
Cc1cc(Br)cc(CNC[C@@H]2CCN2)c1O	1579551579	NEHKIFCAERGUPZ-NSHDSACASA-N	285.185	1.915	10	20	CDCD	
Oc1cccc(O)c1CNc1ncccc1-c1nn[nH]n1	1593540197	QVUZUHFIWSRJFT-UHFFFAOYSA-N	284.279	1.285	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CCNC(=O)C2)c1	151546296	ZZGRDMODFVNGDY-UWVGGRQHSA-N	292.335	1.104	10	20	CDCD	
COc1ccc(O)c(CN2CCC[C@H](N(C)C)C2)c1	156070882	ARVZAFCHVHNGBX-ZDUSSCGKSA-N	264.369	1.927	10	20	CDCD	
COCCOCCCCNC(=O)Cc1ccc(N)cc1	156921726	FAPFGJCRXHQXSD-UHFFFAOYSA-N	280.368	1.371	10	20	CDCD	
CCn1cc(CNCc2ccc3c(c2)CCO3)nn1	404464481	WCLGPRIKXHRVCR-UHFFFAOYSA-N	258.325	1.523	10	20	CDCD	
CN(CCS(C)(=O)=O)Cc1cc(F)cc(F)c1O	708386927	YWVMPYKACKZPAC-UHFFFAOYSA-N	279.308	1.147	10	20	CDCD	
CN(C)c1ccc(CNCC2([S@](C)=O)CC2)cc1	380263201	YCUYGAFIBLGARX-SFHVURJKSA-N	266.410	1.753	10	20	CDCD	
CC[C@@H](O)CCCNC(=O)c1cccc(O)c1O	398514153	SHNIXUXNMFNJFG-SECBINFHSA-N	253.298	1.379	10	20	CDCD	
COC(=O)NC(C)(C)C(=O)N(C)Cc1ccccc1O	120292860	MCDCHNCYAATKDQ-UHFFFAOYSA-N	280.324	1.485	10	20	CDCD	
Cc1n[nH]nc1C(=O)NCc1ccc2c(c1)CCCN2C	188805107	JNQIYXMIIUGTEB-UHFFFAOYSA-N	285.351	1.426	10	20	CDCD	
C[C@H](NC[C@H](C)N1CCN(C)CC1)c1ccc(F)cc1O	185364193	MHWWTYPFBQYYNT-STQMWFEESA-N	295.402	1.818	10	20	CDCD	
CCOC(=O)[C@@H]1CNCCN1Cc1ccc(N(C)C)cc1	88658058	FSJRYMPUDYVUCR-HNNXBMFYSA-N	291.395	1.090	10	20	CDCD	
CN(C)c1ccc(CNC(=O)C2CCOCC2)cc1	198264202	CZUDOVJSKVVZBD-UHFFFAOYSA-N	262.353	1.795	10	20	CDCD	
CCn1nncc1CNCc1cccc(Cl)c1O	529637548	DCXQANYCUBEKQW-UHFFFAOYSA-N	266.732	1.947	10	20	CDCD	
CN1CCCc2cc(CNC(=O)C3CCNCC3)ccc21	237128110	OMIIRSORTQHDHZ-UHFFFAOYSA-N	287.407	1.685	10	20	CDCD	
CCC[C@@H](N)C(=O)N1CCOc2cc(N(C)C)ccc21	236910108	ARULXXNSZWQLKP-GFCCVEGCSA-N	277.368	1.605	10	20	CDCD	
COC[C@H](CO)NCc1cc(Cl)cc(OC)c1O	234786862	JZWSCKHUYUQJOK-JTQLQIEISA-N	275.732	1.151	10	20	CDCD	
COc1cccc(CN2CCC(OC(C)=O)CC2)c1O	93454030	MQHBOODSZCDIEM-UHFFFAOYSA-N	279.336	1.928	10	20	CDCD	
O=C(NCc1ccccc1O)NC1CCOCC1	299493455	KCAAMYQBRVIOEL-UHFFFAOYSA-N	250.298	1.370	10	20	CDCD	
CCOC[C@@H]1CN(Cc2cc(C)cc(OC)c2O)CCO1	530103964	AKHVSNHSFCWCFI-AWEZNQCLSA-N	295.379	1.947	10	20	CDCD	
CCOc1cccc(CN2CC[S@](=O)C[C@@H](C)C2)c1O	277432201	JOKVFPLOPNZTON-YUNKPMOVSA-N	297.420	1.991	10	20	CDCD	
COC(=O)COc1ccc(N(C)Cc2cnnn2C)cc1	273245668	ZLYIUFDNESBEPF-UHFFFAOYSA-N	290.323	1.003	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)NCC(C)(C)O)c1	273612114	WGWPJWLOVKHICG-VIFPVBQESA-N	267.325	1.600	10	20	CDCD	
C[C@@H](CCN(C)C)NC(=O)c1c(F)ccc(O)c1O	276549793	KFGPKAICSMMUOU-QMMMGPOBSA-N	270.304	1.307	10	20	CDCD	
CCN(C)C(=O)[C@@H](C)NC(=O)NCc1ccccc1O	276587114	PNPKHPSRNIOQQL-SNVBAGLBSA-N	279.340	1.058	10	20	CDCD	
O=C(O)C1(NCc2cc([N+](=O)[O-])ccc2O)CCCC1	284394682	ZFGWRNDCALCPRK-UHFFFAOYSA-N	280.280	1.787	10	20	CDCD	
CO[C@H](C)CCNC(=O)c1c(F)ccc(O)c1O	295371449	WSVXUMHFGPYBGI-SSDOTTSWSA-N	257.261	1.392	10	20	CDCD	
CC(=O)C1=S=C(C(=O)Nc2cccc3nonc23)C=C1	808800620	IBOXNSNPQBGDAI-UHFFFAOYSA-N	287.300	1.398	10	20	CDCD	
CC(=O)C(=O)CSc1nnc(N(C)C)n1C(C)C	808021165	BVCFSWALHDAGAO-UHFFFAOYSA-N	270.358	1.175	10	20	CDCD	
CCn1nncc1C(=O)N(C)Cc1ccc(N(C)C)cc1	292901537	XNADEGQWCRTKNG-UHFFFAOYSA-N	287.367	1.636	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@H](C)CN)c1	828667519	RUIJAZGJDAJIBA-BDAKNGLRSA-N	252.314	1.173	10	20	CDCD	
C[C@@H](CC(=O)O)C(=O)NCc1c(O)ccc2c1CCCC2	827296879	WEIVDQUYKAOFKU-JTQLQIEISA-N	291.347	1.998	10	20	CDCD	
CCOc1ccc(CN[C@H]2CC(=O)N(CC)C2)c(O)c1	824887366	VDROGZVMNZFZSF-LBPRGKRZSA-N	278.352	1.501	10	20	CDCD	
CC(C)N(CC(=O)O)C(=O)NCc1ccc(N(C)C)cc1	908757870	DOCKCFVZIXGPAX-UHFFFAOYSA-N	293.367	1.757	10	20	CDCD	
COC(=O)[C@H]1C[C@@H](NCc2ccc(N(C)C)c(F)c2)C1	827500581	DPFVAIOEVJGQQA-TXEJJXNPSA-N	280.343	1.933	10	20	CDCD	
COc1cc(N(C)CC[S@](C)=O)cc(OC)c1OC	827884040	XBFZZXQTSSYXIL-IBGZPJMESA-N	287.381	1.527	10	20	CDCD	
COc1cccc(CN(C)Cc2nnc(C)o2)c1O	827039495	WNPUIYWXXLMLEC-UHFFFAOYSA-N	263.297	1.724	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CC1(O)CCC1	828885043	RVJNJAFEGDJTHF-JTQLQIEISA-N	279.336	1.450	10	20	CDCD	
Cc1ccc(C(=O)N2C[C@H](F)[C@H](F)C2)c(O)c1O	836819116	JZYSWYIPBHJDRR-DTORHVGOSA-N	257.236	1.538	10	20	CDCD	
C[C@H](NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)C1CNC1	902517036	JELWTGSLWGVKGK-GUYCJALGSA-N	290.455	1.553	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1[C@H]2CCC(=O)[C@H]21	907274135	PNFQVYWPFGEQMY-RMQCSFIASA-N	289.331	1.370	10	20	CDCD	
O=C(NCCN1C[C@@H]2CC[C@H](C1)O2)c1cc(O)cs1	839782500	LIDDNKBCAXBUOU-PHIMTYICSA-N	282.365	1.047	10	20	CDCD	
CNC(=O)C[C@@H](C)N[C@H](C)c1cc(F)cc(F)c1O	834899714	JSXKHLGODXKSIL-HTQZYQBOSA-N	272.295	1.846	10	20	CDCD	
O=C(NCCCn1cccn1)c1cc(O)cs1	732268575	ILOAHGSCFXNKBQ-UHFFFAOYSA-N	251.311	1.470	10	20	CDCD	
Nc1ccc(CNC(=O)CCOC[C@H]2CCCO2)cc1	837302782	GSBLGUBVAGGEJW-CQSZACIVSA-N	278.352	1.471	10	20	CDCD	
O=C(O)CN(Cc1ccccc1O)C(=O)C1=CCOCC1	911487226	BZHKOESPVDVIIX-UHFFFAOYSA-N	291.303	1.152	10	20	CDCD	
CN(C)c1ccc([C@@H](N)CNC(=O)[C@H]2CC2(C)C)cc1	832267672	YZUIWMCVNCPKLR-KGLIPLIRSA-N	275.396	1.915	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N1CCC[C@@H]2COC[C@@H]21	838231605	HWOJZEAUWIXFMF-RMKKPPKKSA-N	289.331	1.748	10	20	CDCD	
CN(C)c1ccc(CNc2nccn3nnnc23)cc1F	749147295	HEBAVLSDWYMQDC-UHFFFAOYSA-N	287.302	1.337	10	20	CDCD	
CCOc1cccc(CN2C[C@@H](F)C[C@H]2CNC)c1O	843122055	OMCVRQRGRDYRQC-STQMWFEESA-N	282.359	1.923	10	20	CDCD	
CN1CCN(c2ccc(CNC[C@H]3CCCN3)cc2)CC1	841034353	AADRQULGVQSLGX-MRXNPFEDSA-N	288.439	1.280	10	20	CDCD	
C[C@H](CN)NC(=O)NCc1c(O)ccc2c1CCCC2	841971311	NJJUHWYVRFLPEB-SNVBAGLBSA-N	277.368	1.417	10	20	CDCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NCc1cnnn1C	840978025	ZGTQPZRMZMPGEU-ZDUSSCGKSA-N	287.411	1.910	10	20	CDCD	
CN(C)CCNC(=S)N(C)Cc1ccccc1O	917581478	GWLHWGJXGOGNJU-UHFFFAOYSA-N	267.398	1.260	10	20	CDCD	
Nc1ccc(CC(=O)NCCN2Cc3ccccc3C2)cc1	844177360	HPVJYHRWWPFBDB-UHFFFAOYSA-N	295.386	1.943	10	20	CDCD	
Nc1ccc(CCNC(=O)C[C@H](N)Cc2ccccc2)cc1	841848149	XOWNFYZDUYFUCI-QGZVFWFLSA-N	297.402	1.888	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1C[C@@H]2CNC[C@@H]2C1	840919685	APVMPDSGRPSTBG-GASCZTMLSA-N	259.397	1.712	10	20	CDCD	
CCOc1cccc(CN(C)C2CCNCC2)c1O	843046305	RDPYGJGKPBJDHN-UHFFFAOYSA-N	264.369	1.975	10	20	CDCD	
Cc1cc(C)c([C@@H](C)NC[C@H](O)Cn2ccnn2)c(O)c1	840804107	ZXYUQIVVPWBHJC-OLZOCXBDSA-N	290.367	1.312	10	20	CDCD	
C[C@@H](C(=O)O)N(C)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	929041931	CJFXOIJMTMUXHL-MNOVXSKESA-N	293.367	1.928	10	20	CDCD	
CN(C)c1ccc(CNC[C@@H]2CCN2C)cc1F	922575906	OGNYYGYXRKOUHI-LBPRGKRZSA-N	251.349	1.685	10	20	CDCD	
CCc1cccc(CN[C@@H]2CCN(C(C)=O)C2)c1O	857067887	HQBSOLJQEVNUTR-CQSZACIVSA-N	262.353	1.665	10	20	CDCD	
COc1cccc(CNC(=O)[C@H](C)c2cnn(C)c2)c1O	750239093	KPKCIFYPJOAPLT-SNVBAGLBSA-N	289.335	1.554	10	20	CDCD	
COC[C@](C)(O)CN[C@@H](C)c1cc([N+](=O)[O-])ccc1O	756576410	NKKIHMGSCQTQLR-TVQRCGJNSA-N	284.312	1.348	10	20	CDCD	
CC(C)N1CCC[C@@H]1C(=O)NCCc1ccc(O)c(O)c1	934939162	OSKUIVQHSWCJCL-CYBMUJFWSA-N	292.379	1.629	10	20	CDCD	
Oc1c(CN2C[C@H](O)[C@@H](O)C2)ccc2ccccc12	862446105	QDGUKRZHOQIEOL-KBPBESRZSA-N	259.305	1.083	10	20	CDCD	
CC(C)(CS(C)(=O)=O)NC(=O)c1cc(O)cs1	760451367	RTTJUEZMOGOCKP-UHFFFAOYSA-N	277.367	1.007	10	20	CDCD	
CO[C@]1(CNCc2c(C)cccc2O)CCOC1	877371516	IYLGMQILJGKWKS-AWEZNQCLSA-N	251.326	1.596	10	20	CDCD	
CCNC(=O)CN(C)Cc1cc(OC)c(C)cc1O	768439316	FUQOFQNAOXXCDK-UHFFFAOYSA-N	266.341	1.277	10	20	CDCD	
CCN(Cc1ccc(C)cc1O)[C@H]1CCS(=O)(=O)C1	876533120	FZEFSSJIKHHHJN-ZDUSSCGKSA-N	283.393	1.710	10	20	CDCD	
CNC(=O)CCCCC(=O)NCCc1ccc(O)c(O)c1	779815268	OAMDGDAXTOREPO-UHFFFAOYSA-N	294.351	1.063	10	20	CDCD	
O=C(N[C@H](CCO)c1ccccc1)c1cccc(O)c1O	776353740	BVPPXXPTWIBVOK-CYBMUJFWSA-N	287.315	1.951	10	20	CDCD	
Cc1ccc(CN2CCN(C[C@H](C)O)C[C@H]2C)c(O)c1	877487054	BONWLFDXUBDNNV-KGLIPLIRSA-N	278.396	1.588	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2CCC[C@]2(C)CO)c1O	775097736	LTKSRBDWGYPFER-CQSZACIVSA-N	296.323	1.656	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)C(=O)NCCC1CC1	1117423136	ZKXWUYZYMKHCHK-UHFFFAOYSA-N	276.336	1.267	10	20	CDCD	
COc1ccc(O)c(CN2CCC(O)(C(F)F)CC2)c1	779207555	ZOSKFOOPYJOGOW-UHFFFAOYSA-N	287.306	1.993	10	20	CDCD	
CN1CCN(c2ccc(CNC(=O)OCCF)cc2)CC1	882662278	DHSDTLMLUHXLPS-UHFFFAOYSA-N	295.358	1.634	10	20	CDCD	
COc1cccc(CN2CCc3ncncc3C2)c1O	895723254	SRSXHBLESXHEDA-UHFFFAOYSA-N	271.320	1.749	10	20	CDCD	
Cc1ccc(C(=O)N2C[C@H](C)N(C)C[C@H]2C)c(O)c1O	781009200	VCCGWCUCPNKUOP-WDEREUQCSA-N	278.352	1.571	10	20	CDCD	
COC[C@H](NCc1cc(C)cc(OC)c1O)[C@H]1CCCO1	894593713	ATSRGEYXRKVFAJ-UONOGXRCSA-N	295.379	1.993	10	20	CDCD	
CCOc1ccc(CNC[C@@]2(O)CCO[C@@H]2C)c(O)c1	788532966	BFWXJCPDVFSVGC-ABAIWWIYSA-N	281.352	1.420	10	20	CDCD	
COc1ccc(CNCCN2CCC[C@@H]2C)c(O)c1OC	893355316	CSLTYGOWKDGGIP-LBPRGKRZSA-N	294.395	1.983	10	20	CDCD	
CN1C(=O)C(=Cc2cnn(C3CCC3)c2)C(=O)N(C)C1=O	899336729	YMOTXOASKATXAX-UHFFFAOYSA-N	288.307	1.042	10	20	CDCD	
COc1ccc(CN(C)Cc2ncc[nH]2)c(O)c1OC	894088944	CUEKRZAWUQDRFS-UHFFFAOYSA-N	277.324	1.765	10	20	CDCD	
CC[C@@]1(C(=O)N[C@H](C)c2ccccc2O)CCNC1	1335789815	WOOCIVIMEUOQQB-IAQYHMDHSA-N	262.353	1.959	10	20	CDCD	
O=C(NCc1ccccc1O)c1c[nH]cc(Cl)c1=O	1325232830	HNZZQCZEOXLFMH-UHFFFAOYSA-N	278.695	1.664	10	20	CDCD	
CNC[C@H](C)CNCc1cc(Cl)cc([N+](=O)[O-])c1O	1325624898	GVQZQQDVCWJSTB-QMMMGPOBSA-N	287.747	1.899	10	20	CDCD	
CCc1cccc(CN[C@@H](C)C(=O)N(C)C)c1O	691483064	NPGJVQALQDDNJJ-JTQLQIEISA-N	250.342	1.521	10	20	CDCD	
CNC(=O)C(C)(C)CNCc1cccc(Cl)c1O	224916093	CZEOCGJEUFSKGV-UHFFFAOYSA-N	270.760	1.907	10	20	CDCD	
Oc1cc2c(cc1CNCCOCCF)OCO2	705746294	NOXLXSUOJIWCIL-UHFFFAOYSA-N	257.261	1.197	10	20	CDCD	
COC[C@@](C)(O)CNCc1cc(Cl)ccc1O	69912206	OYEKGOFFERAOIY-LBPRGKRZSA-N	259.733	1.533	10	20	CDCD	
O=C(N[C@H]1CCn2ccnc2C1)c1cccc(O)c1O	790943833	SJVYFVWVRZUBOJ-VIFPVBQESA-N	273.292	1.039	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)C23CC(CN2)C3)c1	1340969544	XHEOFFPRUMHYRV-YLTRJXTNSA-N	276.336	1.330	10	20	CDCD	
CNC1(C(=O)NCc2ccc(N(C)C)c(F)c2)CCC1	1340189228	AMLCZIZTNYFROI-UHFFFAOYSA-N	279.359	1.650	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NC1CC(C(=O)O)C1	1601239222	VTTTXSAZGIPXFJ-DUXPYHPUSA-N	277.276	1.090	10	20	CDCD	
O=C(Cc1ccc(O)c(O)c1)N1CCC[C@@]2(CCNC2)C1	1580570332	YYAWFRQUDUCWGS-INIZCTEOSA-N	290.363	1.242	10	20	CDCD	
CCc1cccc(CN[C@@](C)(COC)CC(=O)O)c1O	1597587090	OPAXZPKRCFJJJM-OAHLLOKOSA-N	281.352	1.924	10	20	CDCD	
C[C@H](NC(=O)c1cc2cc(O)c(O)cc2s1)C(=O)O	1594238335	QOJJWNOQKGDPRZ-YFKPBYRVSA-N	281.289	1.515	10	20	CDCD	
CC(C)C(=O)NCCNCc1ccc(N(C)C)cc1	20125103	CDQNXSDWXKKNOK-UHFFFAOYSA-N	263.385	1.614	10	20	CDCD	
CC[C@@H](NCc1cc([N+](=O)[O-])ccc1O)C(=O)O	1776722013	QQOBOSJMXRRBJT-SECBINFHSA-N	254.242	1.253	10	20	CDCD	
CN(C)c1ccc(CN2CCC[C@@H](O)C2)cc1F	158761154	UQRHYPKNJHKVDJ-GFCCVEGCSA-N	252.333	1.848	10	20	CDCD	
Cc1ccc(C(=O)NCCc2ccc(O)c(O)c2)c(=O)[nH]1	156657254	AATSAFVLGDPAID-UHFFFAOYSA-N	288.303	1.067	10	20	CDCD	
CN(C[C@H](O)CNCc1ccc2c(c1)CCO2)C1CC1	818996264	CYDYSZIWQJVRIH-OAHLLOKOSA-N	276.380	1.166	10	20	CDCD	
C[C@@H](NC(=O)C(C)(C)S(C)(=O)=O)c1ccccc1O	827937454	XFWBVHMWEYWBLP-SECBINFHSA-N	285.365	1.393	10	20	CDCD	
C[C@]1(NCc2cc3c(cc2O)OCO3)CCCOC1	221371923	YGFWMLOTLHVFNY-AWEZNQCLSA-N	265.309	1.780	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NCc2ccn(C)n2)c1	213218323	UFJUQLRDKWWXSQ-SNVBAGLBSA-N	261.325	1.985	10	20	CDCD	
CN(CCN1CCCC1)C(=O)c1cccc(O)c1O	126404908	YOBHFFCDRUKBTO-UHFFFAOYSA-N	264.325	1.266	10	20	CDCD	
COc1cccc(CN2CCC[C@@H](N(C)C)C2)c1O	156071591	MFISCGYBGUPEDU-CYBMUJFWSA-N	264.369	1.927	10	20	CDCD	
COc1ccc(O)c(CNC2CCS(=O)(=O)CC2)c1	36330940	PIALVTIPYZUTHX-UHFFFAOYSA-N	285.365	1.068	10	20	CDCD	
COc1ccc(O)c(CN[C@H](CO)C(C)(C)C)c1	59240911	CHLRSYHCFZXYGB-CYBMUJFWSA-N	253.342	1.897	10	20	CDCD	
CC(C)[C@H](C(=O)NCc1ccc(N(C)C)cc1)[C@H](C)N	399412548	WUXWUOIRHJKQNC-WFASDCNBSA-N	277.412	1.988	10	20	CDCD	
CC[C@H](C(=O)OC)N1CCN(c2ccc(OC)cc2)CC1	54145922	KKLNDZFEJIJYOL-OAHLLOKOSA-N	292.379	1.769	10	20	CDCD	
COc1ccc(O)c(CNc2ncnc3nn(C)cc23)c1	119482943	TWNAECQRHIXMTB-UHFFFAOYSA-N	285.307	1.690	10	20	CDCD	
C[C@@H](NCCS(C)(=O)=O)c1ccc(F)cc1O	62747681	GNPHAHCZGATSET-MRVPVSSYSA-N	261.318	1.227	10	20	CDCD	
CC[C@H](CCO)NC(=O)NCc1ccc(N(C)C)cc1	304346705	ZXWDOSKZKRQHLN-CYBMUJFWSA-N	279.384	1.713	10	20	CDCD	
CN1CCCc2cc(CNC(=O)[C@H]3CCCN3)ccc21	113807460	QASWXKQCVVEOCQ-CQSZACIVSA-N	273.380	1.437	10	20	CDCD	
O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1CSCN1	195171507	VRUCEAOGBTZTAJ-AWEZNQCLSA-N	291.420	1.566	10	20	CDCD	
CC(C)[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)O	96928428	FYYRTNDEDHNLLP-BPJJOFIESA-N	279.292	1.336	10	20	CDCD	
CNC[C@H](C)C(=O)N1CCOc2cc(N(C)C)ccc21	237292569	XREIXLVBRHKSDR-NSHDSACASA-N	277.368	1.334	10	20	CDCD	
Nc1ccc(CC(=O)N2CCC[C@]3(CCNC3)C2)cc1	295134345	YXAVSSJAJMHFAB-MRXNPFEDSA-N	273.380	1.413	10	20	CDCD	
CC(C)(N)C(=O)NCc1ccc(N2CCCC2)cc1	269267050	ZRQWOFIRMKUGMW-UHFFFAOYSA-N	261.369	1.640	10	20	CDCD	
O=C(N[C@H]1CCc2c[nH]nc2C1)c1cccc(O)c1O	365760073	XHLUPUIGWBIXKF-VIFPVBQESA-N	273.292	1.108	10	20	CDCD	
Cc1cccc(CN(C)CC(C)(CO)CO)c1O	271825195	NUFZYLHRWJWNMR-UHFFFAOYSA-N	253.342	1.123	10	20	CDCD	
COc1ccc(O)c(CN[C@H]2CCC(=O)NC23CCC3)c1	282969297	INATZLKAVGKRFX-AWEZNQCLSA-N	290.363	1.692	10	20	CDCD	
CC(=O)C(=O)CN1C(=O)[C@@H](C)N(c2ccccc2)C1=O	808020998	WNXCAXSMWCVNHX-SECBINFHSA-N	274.276	1.002	10	20	CDCD	
O=C(c1c(F)ccc(O)c1O)N1CCC[C@@H]1CF	295716186	YXEJMXNMSLJRBD-SSDOTTSWSA-N	257.236	1.811	10	20	CDCD	
C[C@@H]1CCS(=O)(=O)CCN1C(=O)c1cc(O)cs1	807415566	XJWXNSSHISZCMN-MRVPVSSYSA-N	289.378	1.103	10	20	CDCD	
O=C(NCc1ccc(N2CCOCC2)cc1)C(F)(F)F	299587315	FHNFJBSBXBCATI-UHFFFAOYSA-N	288.269	1.702	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)c1cccn1C	806313447	QYFGHOFYIISIMV-UHFFFAOYSA-N	299.374	1.932	10	20	CDCD	
C[C@@H]1CN(C)CC[C@@H]1N(C)Cc1cc2c(cc1O)OCO2	809765905	RPKJHEGOPVDXJP-YPMHNXCESA-N	292.379	1.893	10	20	CDCD	
C[C@H]1CN(C(=O)c2c(F)ccc(O)c2O)CCCO1	295389746	YINKAKRQNPZTQH-QMMMGPOBSA-N	269.272	1.488	10	20	CDCD	
COCCn1c(C)nnc1N(C)Cc1ccccc1O	812144876	HNJSJNKLAWMXGS-UHFFFAOYSA-N	276.340	1.575	10	20	CDCD	
C[C@H]1CN(C2CC2)C[C@H]1NCCc1ccc(N)cc1	817956429	YVAVBCKVGQKSPI-BLLLJJGKSA-N	259.397	1.884	10	20	CDCD	
COC[C@H](C)[C@H](C)C(=O)NCc1cc(OC)ccc1O	812510347	ZKHPKGHTCTZGRF-QWRGUYRKSA-N	281.352	1.936	10	20	CDCD	
COC(=O)N1CCN(Cc2ccc(N(C)C)c(C)c2)CC1	815020649	FFNZLGOQCJGCOM-UHFFFAOYSA-N	291.395	1.945	10	20	CDCD	
CN1CC[C@H](NCc2cc(Cl)cc([N+](=O)[O-])c2O)C1	729681826	KHQLMUCGUKFXGK-JTQLQIEISA-N	285.731	1.748	10	20	CDCD	
CN(C)c1ccc(CN2CCC(O)(CO)CC2)cc1F	827147556	SUBIPIYEHNNXGT-UHFFFAOYSA-N	282.359	1.211	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@H](N)CC(F)F)c1	828666692	HNWOQRLJTUOSCX-GMSGAONNSA-N	288.294	1.561	10	20	CDCD	
CC(=O)NC(C)(C)C(=O)N(C)Cc1ccc(N(C)C)cc1	726767944	OCOQVOBFJCUSDN-UHFFFAOYSA-N	291.395	1.626	10	20	CDCD	
CC[C@@H](NCc1cc(Cl)c(F)cc1O)C(=O)NC	825316830	VMMCHYVZBVSUSL-SNVBAGLBSA-N	274.723	1.799	10	20	CDCD	
Cc1cc(O)c(CN2CCN3C(=O)OC[C@H]3C2)cc1Cl	824863937	XUYZIWSAOUKXRE-LLVKDONJSA-N	296.754	1.990	10	20	CDCD	
CC[C@H](O)[C@@H](C)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	907272135	FERLPWPWYXLTTC-FOGDFJRCSA-N	281.352	1.552	10	20	CDCD	
CCN1C[C@@H](N[C@H](C)c2cc([N+](=O)[O-])ccc2O)CC1=O	834891882	SZDXGNVMYKCHKU-ZJUUUORDSA-N	293.323	1.572	10	20	CDCD	
C[C@@H](Oc1cccnc1)C(=O)NCc1ccccc1O	735516522	UBCDDNGMRWYEQG-LLVKDONJSA-N	272.304	1.871	10	20	CDCD	
OCCCN1CCC[C@@H]1CN[C@H]1CCc2cccc(O)c21	834851269	WBTGTMCZIWTVGK-CABCVRRESA-N	290.407	1.816	10	20	CDCD	
O=C1CN(Cc2ccccc2)[C@@H](c2cccc(O)c2O)N1	732818786	IMXDHORNBAAWQK-INIZCTEOSA-N	284.315	1.728	10	20	CDCD	
CC[C@H](NC[C@@H](O)Cn1ccnn1)c1ccc(F)cc1O	840803725	UTGVYRHMAKXBGV-YPMHNXCESA-N	294.330	1.225	10	20	CDCD	
COc1ccc(O)c([C@@H](C)Nc2nccn(C)c2=O)c1	742402858	ZFOJSOASLBTPRZ-SECBINFHSA-N	275.308	1.668	10	20	CDCD	
N[C@@H](CNCc1cc(Cl)cc([N+](=O)[O-])c1O)C1CC1	841050092	OPKADSGNICDROT-JTQLQIEISA-N	285.731	1.781	10	20	CDCD	
O=C(NCCCOC1CCOCC1)c1cc(O)cs1	743569411	BCSOXAJOUZJGHE-UHFFFAOYSA-N	285.365	1.769	10	20	CDCD	
CCNC(=O)CCCc1nc(Cc2ccc(N)cc2)no1	843159474	QOMGSFCIJWGTKF-UHFFFAOYSA-N	288.351	1.701	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CCCCC[C@H]1CO	911960327	USXXXAQEHWZBDX-CFNZNRNTSA-N	291.347	1.875	10	20	CDCD	
C[C@@H]1NC(=O)[C@@H](C)N(C(=O)c2cc(O)cs2)[C@H]1C	911803025	MQQLXRJNIMGNSI-BIIVOSGPSA-N	268.338	1.191	10	20	CDCD	
NC[C@H]1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2O)C1	843048840	ZXQLSMNKQHDLPZ-MRVPVSSYSA-N	285.731	1.734	10	20	CDCD	
CO[C@H](CNC(=O)NCCc1ccc(N)cc1)C1CC1	841909361	DMBLULAQYQBHCF-CQSZACIVSA-N	277.368	1.536	10	20	CDCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC1CNC1	841949929	DIADDTCPLDFVLJ-UHFFFAOYSA-N	290.411	1.644	10	20	CDCD	
C[C@H]1CC[C@H](CNC(=O)NCCc2ccc(N)cc2)O1	841915165	MTPYIOSXHNILMM-SMDDNHRTSA-N	277.368	1.678	10	20	CDCD	
CNS(=O)(=O)CCSc1ncc(Cl)s1	857223205	HPWFMFFYRGEEDK-UHFFFAOYSA-N	272.804	1.438	10	20	CDCD	
OC1CCN(c2ccc(CNC3CCOCC3)cc2)CC1	850405870	ILJPOIGJMMFOPP-UHFFFAOYSA-N	290.407	1.916	10	20	CDCD	
CO[C@H](C)COC(=O)/C=C/c1ccc(O)c(O)c1	759590966	BPPHDHGGFWNVKU-OTQAPUNGSA-N	252.266	1.689	10	20	CDCD	
CC1(F)CCN(C(=O)C(=O)Nc2ccc(N)cc2)CC1	868296666	VMGKAVPLJUKGEC-UHFFFAOYSA-N	279.315	1.558	10	20	CDCD	
COc1cc(CN2CCCOCC2)c(O)cc1C	768443273	CSWRTURXSCQZSS-UHFFFAOYSA-N	251.326	1.932	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@H]2CCCS(=O)(=O)C2)c1	862756206	TXAHSIZISYSCIA-NSHDSACASA-N	297.376	1.142	10	20	CDCD	
CC(C)c1cc(C(=O)NCCc2ccc(O)c(O)c2)n[nH]1	768900341	FZPYOWQKRWWBQB-UHFFFAOYSA-N	289.335	1.917	10	20	CDCD	
CCOc1ccc(O)c(CN2CCC(OCCO)CC2)c1	769537622	NBIUOSCPOFYTBN-UHFFFAOYSA-N	295.379	1.764	10	20	CDCD	
COc1cccc([C@@H](C)NC[C@H]2C[C@H](O)C2)c1O	872126170	JAEVMPDZCKQXCQ-GMTAPVOTSA-N	251.326	1.822	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NC[C@H]2COC(C)(C)O2)c1	875480097	OHIYBJKYEMQGCB-LBPRGKRZSA-N	294.351	1.651	10	20	CDCD	
C[C@@H](NC(=O)NC[C@H]1C[C@@H](O)C1)c1ccc(N(C)C)cc1	875507888	MPKWMEYCWKUJAO-JMSVASOKSA-N	291.395	1.884	10	20	CDCD	
COC(=O)c1cc(C(=O)N(C)Cc2ccccc2O)on1	777796802	FGPLKYZBEYADQG-UHFFFAOYSA-N	290.275	1.439	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)Cc1cncn1C	776335709	LKIAEELXNXBZOM-UHFFFAOYSA-N	259.309	1.327	10	20	CDCD	
COc1cccc(CN2CCSC[C@H]2CO)c1O	877779860	GJNQNZIOJXOCCV-LLVKDONJSA-N	269.366	1.311	10	20	CDCD	
C[C@H](NC(=O)C[C@H]1COC(=O)C1)c1ccc(N(C)C)cc1	773017524	FCSCNOLIPPFXGG-NWDGAFQWSA-N	290.363	1.883	10	20	CDCD	
C[C@@H](NS(=O)(=O)[C@H]1CCOC1)c1ccc(N(C)C)cc1	773083897	KYLFYGZLRMYDPX-RISCZKNCSA-N	298.408	1.522	10	20	CDCD	
COCCOC(=O)NCc1cccc(OC)c1O	885025356	LBJLJSDRLYBPCL-UHFFFAOYSA-N	255.270	1.273	10	20	CDCD	
COc1ccc(CNCCNC(=O)c2ccncc2)cc1C	1122599147	AQVGQRWTAJZPGO-UHFFFAOYSA-N	299.374	1.918	10	20	CDCD	
C[C@H](C[S@](C)=O)N[C@H](C)c1c(O)cccc1F	886587788	FOAIUODHLJDSRU-MHIIWPAESA-N	259.346	1.949	10	20	CDCD	
COC(=O)[C@H]1CCCN1C(=O)c1ccc(C)c(O)c1O	780880757	YQTSZGHPNCEMGD-SNVBAGLBSA-N	279.292	1.184	10	20	CDCD	
Cc1ccc(CN2[C@@H](C)[C@H](C)NC(=O)[C@H]2C)c(O)c1	895123566	YMDXJKMWBXPYIQ-SDDRHHMPSA-N	262.353	1.798	10	20	CDCD	
C[C@@H](NC(=O)NC[C@@H]1CNCCCO1)c1ccccc1O	892167783	GSYFRGCJEWRRAI-NEPJUHHUSA-N	293.367	1.131	10	20	CDCD	
COc1cc(C)cc(CN[C@H]2C(=O)NCC2(C)C)c1O	895325593	SWKDKVHICZPYGO-ZDUSSCGKSA-N	278.352	1.323	10	20	CDCD	
O=C(OC[C@@H]1CCC[C@@H](O)C1)c1cccc(O)c1O	795535024	NCXRBWVKOQFQES-NXEZZACHSA-N	266.293	1.806	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CC2OCCO2)cc1F	793282311	XBZDLRXMVVNLKP-UHFFFAOYSA-N	282.315	1.271	10	20	CDCD	
CCOC(=O)[C@@H]1CCCN(C(=O)Cc2ccc(N)cc2)C1	40222727	KXOBSEJMCMTSHH-CYBMUJFWSA-N	290.363	1.613	10	20	CDCD	
CCC[C@@]1(CO)CCN(C(=O)NCc2ccc(N)cc2)C1	1336290210	JVZQAJJYTOYYLK-MRXNPFEDSA-N	291.395	1.963	10	20	CDCD	
Nc1ccc(CNC(=O)NC[C@@H]2CCCNC2)cc1	1338625702	RFDGJZKBEWIMMI-GFCCVEGCSA-N	262.357	1.068	10	20	CDCD	
C[C@H]1CCC[C@@]1(O)CNC(=O)NCc1ccc(N)cc1	1338792448	GPKALRIUXJKNPR-XHDPSFHLSA-N	277.368	1.619	10	20	CDCD	
CCCN(C(=O)NCc1ccc(N)cc1)[C@H]1CCNC1	1338793689	RYMQGOSSJDPQQC-AWEZNQCLSA-N	276.384	1.552	10	20	CDCD	
COc1cccc(CN(C)C[C@@H]2CCOC2)c1O	93840143	IFXYGNOBHLGFQS-NSHDSACASA-N	251.326	1.869	10	20	CDCD	
CN(C)c1ccc([C@@H](N)CNC(=O)c2ccnc(N)c2)cc1	1332047222	HXBULQSWVHGYAN-AWEZNQCLSA-N	299.378	1.160	10	20	CDCD	
O=C(Nc1c(Cl)ccc2nonc12)c1ncccn1	1331718739	WWMGQOYTBZRDNE-UHFFFAOYSA-N	275.655	1.919	10	20	CDCD	
OCCN(Cc1cc(F)cc(F)c1O)C1CCOCC1	1262110324	ADUOEXLDECWOST-UHFFFAOYSA-N	287.306	1.644	10	20	CDCD	
C[C@@H](CN1CCOCC1)N(C)Cc1ccc(N)cc1	1352788125	CSVRJRPPMGCMGH-ZDUSSCGKSA-N	263.385	1.421	10	20	CDCD	
COc1ccc(CNC2CC(C(=O)O)C2)c(O)c1	1594094555	LOZCVYFCJBZEMB-UHFFFAOYSA-N	251.282	1.354	10	20	CDCD	
CN(C)c1ccc(CNCC2CC(C(=O)O)C2)cc1	1777040274	PESANARFBSCPKQ-UHFFFAOYSA-N	262.353	1.953	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2cnn(C)c2C)c1	162663245	RFQQBHUHAYMZCC-SECBINFHSA-N	289.335	1.934	10	20	CDCD	
COc1cc(O)c(CN2CCSCC2)cc1OC	158868901	RYUURODHDLIKIB-UHFFFAOYSA-N	269.366	1.958	10	20	CDCD	
CCn1cnnc1CN[C@H](C)c1cc(F)ccc1O	230658876	KVBSFYSYVNFKCO-SECBINFHSA-N	264.304	1.994	10	20	CDCD	
COCCC(C)(C)CNC(=O)Cc1ccc(N)cc1	234659186	RFQXXYUEOXXLBH-UHFFFAOYSA-N	264.369	1.990	10	20	CDCD	
COc1cccc(CN[C@H]2CCCCNC2=O)c1O	36977256	FIIYYZRJFMEKJK-NSHDSACASA-N	264.325	1.159	10	20	CDCD	
CC(=O)NCCN(C)Cc1cccc(Cl)c1O	308300388	LOIMFYLTJSPLRU-UHFFFAOYSA-N	256.733	1.614	10	20	CDCD	
Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H](C)C(N)=O)cc1	53327073	DRYMBQGSZSWXGV-LBPRGKRZSA-N	285.347	1.698	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@@H]1NCCC1(C)C	852816616	AEQVWHJGEUQFPO-ZDUSSCGKSA-N	262.353	1.739	10	20	CDCD	
Cc1nnc(NC(=O)c2cccc(O)c2O)s1	126561296	NOFJNVMIVLLDIW-UHFFFAOYSA-N	251.267	1.510	10	20	CDCD	
C[C@@H](CN[C@H](C)c1ccccc1O)CN1CCN(C)CC1	183491684	MSVSGAPTXDNGPV-LSDHHAIUSA-N	291.439	1.926	10	20	CDCD	
CC[C@H](N[C@H](CCO)COC)c1ccccc1O	229556283	LOMSFTVMJRKKBF-YPMHNXCESA-N	253.342	1.830	10	20	CDCD	
Nc1ccc(CC(=O)N[C@@H]2CCc3[nH]ncc3C2)cc1	82284203	FUTSIOQBCOHHFG-CYBMUJFWSA-N	270.336	1.208	10	20	CDCD	
CCOc1cccc(CN2CCS(=O)CC2)c1O	132813251	IDWJTUGEXOILBH-UHFFFAOYSA-N	269.366	1.355	10	20	CDCD	
COc1cccc(CNC(=O)C[C@@H]2CCCCO2)c1O	88352625	YRRQZSLSIVUBAS-LBPRGKRZSA-N	279.336	1.976	10	20	CDCD	
Cc1nn(C)cc1[C@@H](C)NC(=O)Cc1ccc(N)cc1	237640069	WDAUZFQYVWIVSS-SNVBAGLBSA-N	272.352	1.731	10	20	CDCD	
C[C@@H](NC(=O)CCN)c1ccc(N2CCOCC2)cc1	237562651	OYAWLFQVWKASAH-GFCCVEGCSA-N	277.368	1.049	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CC[C@H](O)C1	346379314	LPKLBHBXPOVYHU-AAEUAGOBSA-N	290.363	1.639	10	20	CDCD	
CC[C@@H](NCCCNS(C)(=O)=O)c1ccccc1O	183348494	HIINIEIZAKCDQR-GFCCVEGCSA-N	286.397	1.372	10	20	CDCD	
COC[C@@H](O)CN[C@H](C)c1ccc(F)c(F)c1O	276854549	BLWBSIYFKSKLJA-SFYZADRCSA-N	261.268	1.328	10	20	CDCD	
CCOC(=O)CCNC(=O)/C=C/c1ccc(O)c(O)c1	272434118	LRUSKSJGHLMZKN-GQCTYLIASA-N	279.292	1.180	10	20	CDCD	
COC(=O)[C@H](C)CN(C)Cc1cc(OC)c(OC)cc1O	271076292	HAWVTBXKJQWNRF-SNVBAGLBSA-N	297.351	1.650	10	20	CDCD	
CCCCN(CCC(=O)NC(N)=O)Cc1ccccc1O	282554198	XOJCZNGFLJUWGO-UHFFFAOYSA-N	293.367	1.579	10	20	CDCD	
O=C(NCc1ccccc1O)[C@@H]1OC[C@@H]2CCC[C@@H]21	377799439	UVZFRPXHVLVRGL-SGMGOOAPSA-N	261.321	1.824	10	20	CDCD	
Cc1nnc(CCNC(=O)NCc2ccccc2O)s1	291760815	DUFSFLJLFBTTNH-UHFFFAOYSA-N	292.364	1.594	10	20	CDCD	
COc1ccc(O)c(CNc2cc(OC)ncn2)c1	811806473	YPWRLECNYRNPHK-UHFFFAOYSA-N	261.281	1.812	10	20	CDCD	
CCOc1ccc(O)c(CN2CC[C@](CO)(COC)C2)c1	825158535	OZTSBZWPOBTJQO-INIZCTEOSA-N	295.379	1.622	10	20	CDCD	
CC[C@H]1CN(C(=O)c2c(F)ccc(O)c2O)C[C@H]1O	827487543	WROHVYBBUOMEPZ-OIBJUYFYSA-N	269.272	1.080	10	20	CDCD	
CC(C)C[C@H](O)CNC(=O)c1c(F)ccc(O)c1O	827090421	PMLQPEAEQWPYMV-QMMMGPOBSA-N	271.288	1.374	10	20	CDCD	
CCn1cncc1/C=C1/SC(N2CCOCC2)=NC1=O	901444685	ZXNRCIRVSFPTEW-YRNVUSSQSA-N	292.364	1.206	10	20	CDCD	
O=C(NCCC(=O)N1CCCCCC1)c1cc(O)cs1	731872232	ANPIRHRFUFOYFD-UHFFFAOYSA-N	296.392	1.976	10	20	CDCD	
CN(C[C@H]1CCCOC1)C(=O)c1cc(O)cs1	732289614	IXNDJQMYMYPUJS-SECBINFHSA-N	255.339	1.952	10	20	CDCD	
CCn1ncc(CN(C)c2ccc(OC)c(OC)c2)n1	839011173	HIYLNDIJJJZFOV-UHFFFAOYSA-N	276.340	1.952	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@H]2C[C@]23CCCNC3)cc1	848407062	LRUWFOBXOWXUSR-RDJZCZTQSA-N	287.407	1.759	10	20	CDCD	
Cc1ccc(C(=O)N(C)[C@@H](C)CCO)c(O)c1O	846602241	QUVGERSHFVPQHU-VIFPVBQESA-N	253.298	1.249	10	20	CDCD	
CC[C@H](C)OCC(=O)N(CC(=O)O)Cc1ccccc1O	911494167	QZHIOTIXZTXSKK-NSHDSACASA-N	295.335	1.621	10	20	CDCD	
COc1ccc(N(C)CCN(C)C[C@@H](C)CO)cc1	844400333	AIWQHLGUFSCENB-CYBMUJFWSA-N	266.385	1.692	10	20	CDCD	
COc1cccc([C@@H](C)NC[C@@H](O)c2cnn(C)c2)c1O	846143091	APNCLPQWPMRRLV-ZWNOBZJWSA-N	291.351	1.519	10	20	CDCD	
CCN(CC)c1ccc(CN(C)CC(=O)NC(N)=O)cc1	741677599	ALCNVEJRUNEKKJ-UHFFFAOYSA-N	292.383	1.160	10	20	CDCD	
COc1cccc([C@@H](C)N[C@H]2CCN(C)C2)c1O	846143216	CTPXOLGUWCCVMB-MNOVXSKESA-N	250.342	1.756	10	20	CDCD	
COc1ccc(N(C)CCN(C)C(=O)C(C)(C)CN)cc1	846696257	DJNPNOOIMVRDAN-UHFFFAOYSA-N	293.411	1.575	10	20	CDCD	
COc1ccc(CN[C@H](C)C(=O)N(C)OC)cc1C	858324606	BODWXQFNWVXKIZ-LLVKDONJSA-N	266.341	1.502	10	20	CDCD	
CNC(=O)CCCNCc1cc(F)c(N(C)C)cc1F	858114842	VQDPHEJPBHSDIK-UHFFFAOYSA-N	285.338	1.647	10	20	CDCD	
Cc1ccc(O)c([C@H](C)NC[C@H](O)CN2CCCC2)c1	756450621	SZZIGITXEJOVOL-KBPBESRZSA-N	278.396	1.808	10	20	CDCD	
CC[C@@H](C)CCNC(=O)C(=O)Nc1ccc(N)cc1	850835616	WLCVMKSTYGEAGH-SNVBAGLBSA-N	263.341	1.760	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)c2nc(=N)cc[nH]2)cc1	865908712	RYNYIGIEIGVLIS-UHFFFAOYSA-N	299.378	1.665	10	20	CDCD	
CC1(C)CN(Cc2cc3c(cc2O)OCO3)CCN1	769191828	OZEDGCKZUWOAAH-UHFFFAOYSA-N	264.325	1.305	10	20	CDCD	
C[C@@H](NC(=O)NCc1ncn(C)n1)c1ccccc1O	868467879	QKHNEPIRYUAEDL-SECBINFHSA-N	275.312	1.081	10	20	CDCD	
O=C1CC[C@@]2(C(=O)NCc3ccccc3O)SCCN12	769362895	MANJGCCULMVIPT-AWEZNQCLSA-N	292.360	1.074	10	20	CDCD	
Cc1ccc(CNC[C@@H](CO)[C@H]2CCOC2)c(O)c1	877493422	BELFOWUIEMUKBX-KBPBESRZSA-N	265.353	1.435	10	20	CDCD	
Cc1ccc(C(=O)N2C[C@H]3COC[C@H]3C2)c(O)c1O	872318384	SWKYXRWZCKATJR-AOOOYVTPSA-N	263.293	1.125	10	20	CDCD	
CN(C(=O)[C@H]1CCc2ncncc2C1)c1ccc(N)cc1	877075820	IOGQNCVIMWXLCU-NSHDSACASA-N	282.347	1.827	10	20	CDCD	
Cc1cccc(O)c1CN[C@@H]1CCCN(CCCO)C1	877558534	JPHCHNRZSFFOGL-CQSZACIVSA-N	278.396	1.637	10	20	CDCD	
CCc1nn(C)cc1/C=C1\C(=O)NN(c2ccccc2)C1=O	770574598	YOIBQHCALMIHQF-UKTHLTGXSA-N	296.330	1.444	10	20	CDCD	
OCCOC1CCN(Cc2cc(F)ccc2O)CC1	779031106	CCTYBGZCMTVZMS-UHFFFAOYSA-N	269.316	1.505	10	20	CDCD	
CCC[C@H]1NC(=O)N(Cc2ccc(N(C)C)cc2)C1=O	777557647	MAQQIHZMDXJCLN-CYBMUJFWSA-N	275.352	1.973	10	20	CDCD	
CCCNCCNCc1ccc(N2CCN(C)CC2)cc1	1118019511	OTRYLMSPTFSTOW-UHFFFAOYSA-N	290.455	1.528	10	20	CDCD	
COCCN(C)Cc1ccc(N2CCN(C)CC2)cc1	775648289	RRNFCIVKPZOPCL-UHFFFAOYSA-N	277.412	1.517	10	20	CDCD	
CN(Cc1cc(C(=O)O)nn1C)c1ccc2c(c1)OCO2	874040662	FLJUSAUCMGJETE-UHFFFAOYSA-N	289.291	1.483	10	20	CDCD	
CC[C@@]1(C(=O)N[C@@H](C)c2cc(OC)ccc2O)CCNC1	1118196940	GKAFLXZPXINMSQ-MEDUHNTESA-N	292.379	1.968	10	20	CDCD	
CN1CC[C@@H](C(=O)N(C)c2ccc(N)cc2)CC1=O	877081054	SZWLIHZDVAIRDF-SNVBAGLBSA-N	261.325	1.100	10	20	CDCD	
Cn1ncc2c(O)nc(NCc3ccccc3O)nc21	771177256	FAVDNIVOZXIVAK-UHFFFAOYSA-N	271.280	1.387	10	20	CDCD	
Cc1c(NCc2ccc(N(C)C)c(F)c2)nnn1C	883230715	OGUHUAORNUJSMM-UHFFFAOYSA-N	263.320	1.941	10	20	CDCD	
CCOCCONC(=O)NCc1ccccc1O	773511250	DGGWUXUERSPKFZ-UHFFFAOYSA-N	254.286	1.160	10	20	CDCD	
C[C@@H](CN1CCN(C)CC1)NCc1cc(F)cc(F)c1O	882988199	FVFNLZWUXUCYIO-NSHDSACASA-N	299.365	1.396	10	20	CDCD	
CCOc1ccc(N(C)C[C@@H]2CCS(=O)(=O)C2)cc1	789295133	WOYXGNOMTLYUNH-LBPRGKRZSA-N	283.393	1.956	10	20	CDCD	
COC[C@@](C)(O)CNCc1cc(C)cc(OC)c1O	894251870	SDVJIJWOMBIDCD-AWEZNQCLSA-N	269.341	1.196	10	20	CDCD	
CCN1CCN(Cc2ccc(OC)c(OC)c2O)C[C@H]1C	891991778	HTTBXHGDQMDLIU-GFCCVEGCSA-N	294.395	1.935	10	20	CDCD	
COc1ccc(CNCCC2(O)CCC2)c(O)c1OC	894305615	OFRHEQYLVRLMNK-UHFFFAOYSA-N	281.352	1.804	10	20	CDCD	
O=C(c1cc(O)cs1)N1C[C@H]2CC[C@@H](O)[C@H]2C1	899393723	ZOZIVTHYLZSKTM-FKTZTGRPSA-N	253.323	1.297	10	20	CDCD	
COc1cc(C)cc(CN[C@H](C)c2nncn2C)c1O	894239064	XTNRTHZHTRTIBM-SNVBAGLBSA-N	276.340	1.689	10	20	CDCD	
CCOc1ccc(CNC[C@H](CO)[C@@H]2CCOC2)c(O)c1	795581240	GSIKJWVKZDNSRI-ZIAGYGMSSA-N	295.379	1.526	10	20	CDCD	
C[C@H]1CCNC(=O)[C@@H]1NCc1cc(Cl)cc(F)c1O	799737830	NDBPVHMOPQDUDG-WRWORJQWSA-N	286.734	1.799	10	20	CDCD	
CCNC(=O)[C@H](C)N[C@H](C)c1ccc(C)cc1O	36794561	OJTKAZVHZSHXOX-MNOVXSKESA-N	250.342	1.876	10	20	CDCD	
[N-]=[N+]=NCc1ccc(C(=O)NCCn2cccn2)o1	1537963131	VUCXOFIYQIDHPV-UHFFFAOYSA-N	260.257	1.716	10	20	CDCD	
CCNCCCNC(=O)c1ccc(N=NC(N)=O)cc1	1177237594	FDIKONOYLHLRCA-UHFFFAOYSA-N	277.328	1.578	10	20	CDCD	
COc1cccc(O)c1CNC[C@@](C)(O)CSC	738440032	KVCJUFIZDUFKJS-CYBMUJFWSA-N	271.382	1.604	10	20	CDCD	
CC(C)CNC(=O)[C@H](C)N(C)Cc1ccccc1O	109773001	YGXKNSDYFAYYRH-LBPRGKRZSA-N	264.369	1.985	10	20	CDCD	
O=C(NCc1ccccc1O)C(F)(F)C(F)F	225875440	UIXSEYJMVYPISM-UHFFFAOYSA-N	251.179	1.909	10	20	CDCD	
O=C(O)[C@@H]1C=C[C@@H](NCc2cc(F)cc(F)c2O)C1	1339240702	MZTOUBIDSHDHCP-GMSGAONNSA-N	269.247	1.789	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)C(=O)N(C)OC)cc1	1345139064	LSPSCAAQDYWZMU-UHFFFAOYSA-N	293.367	1.169	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1CCC[C@H](O)[C@@H]1C(=O)O	1607667502	KYKWTQIHCOYDFT-LSDHHAIUSA-N	292.379	1.471	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)CCC23CC(CN2)C3)c1	1579723727	JUIYCQZDGIFWPP-UHFFFAOYSA-N	274.364	1.849	10	20	CDCD	
COc1ccc(CN2CC(C)(C(=O)O)C2)c(O)c1OC	1599559996	ZZSLAMHEYLULIW-UHFFFAOYSA-N	281.308	1.316	10	20	CDCD	
COc1cccc(CNC(=O)[C@@H]2CCCCO2)c1O	157113702	JCVDBBXIZWJCAC-LBPRGKRZSA-N	265.309	1.586	10	20	CDCD	
COc1cccc(O)c1CN[C@@H](C)C1(CO)CC1	850361652	UPCCCSJQEWYJTK-JTQLQIEISA-N	251.326	1.651	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C[C@@H]1COCCO1	827368169	KQDBVQQCMGQQQA-OAHLLOKOSA-N	264.369	1.600	10	20	CDCD	
COC(=O)[C@H](C)CSc1ncc([N+](=O)[O-])s1	226766284	BKONXPUNWCHDSM-RXMQYKEDSA-N	262.312	1.953	10	20	CDCD	
COCCN(CC(C)C)C(=O)Cc1ccc(N)cc1	37809076	FEXIOTIXCHOXHT-UHFFFAOYSA-N	264.369	1.942	10	20	CDCD	
COc1ccc(O)c([C@H](C)N[C@H]2CC(=O)N(C)C2)c1	273579555	MIIBRMUUGMCVBX-UWVGGRQHSA-N	264.325	1.282	10	20	CDCD	
Cn1cncc1CCN[C@@H]1CCc2cccc(O)c21	401765653	LKBZMIIXNXXLOC-CYBMUJFWSA-N	257.337	1.945	10	20	CDCD	
CCN1C[C@@H](N[C@H]2CCc3cccc(O)c32)CC1=O	391527332	FMYMCCZVBXXSIV-RYUDHWBXSA-N	260.337	1.590	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2C[C@H](C)[C@@H](O)C2)c1O	388089433	CRWJOQMZBQSRKT-SDBXPKJASA-N	267.300	1.547	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC[C@H](O)Cn2cccn2)c1	182447109	LAZHNNWFVCVNIV-NEPJUHHUSA-N	291.351	1.309	10	20	CDCD	
O=C(Nc1ccc(-n2ccnc2)nc1)c1cccc(O)c1O	186882074	FBEJODYPAKZYIX-UHFFFAOYSA-N	296.286	1.931	10	20	CDCD	
C[C@@H](NC(=O)c1cccc(O)c1O)c1nnc2ccccn12	188139220	MXNNPZRQPZTUBT-SECBINFHSA-N	298.302	1.632	10	20	CDCD	
CCn1cc(NC(=O)/C=C/c2ccc(O)c(O)c2)cn1	180925548	LHVSAMXMDCZCSI-GQCTYLIASA-N	273.292	1.966	10	20	CDCD	
CCOc1ccc(O)c(CN(C)[C@H](C)C[S@](C)=O)c1	130975630	XYPBBLQPCOHUKJ-NSPYISDASA-N	285.409	1.990	10	20	CDCD	
CC[C@H](OC)C(=O)NCc1cccc(OC)c1O	264243520	CXXNKJGCXNLHPU-JTQLQIEISA-N	253.298	1.442	10	20	CDCD	
CN(C)c1ccc(CNCC(=O)NC2CC2)cc1F	264960566	NXBAWHTXJUZMDM-UHFFFAOYSA-N	265.332	1.260	10	20	CDCD	
O=C1N[C@H]2CN(Cc3cc(Cl)ccc3O)CC[C@@H]2CO1	369720148	FKEMCRGVKRCKLD-SKDRFNHKSA-N	296.754	1.976	10	20	CDCD	
O=C(CCOCC(F)F)NCc1ccc(O)c(O)c1	276596067	CFYQJFHEVYQURU-UHFFFAOYSA-N	275.251	1.386	10	20	CDCD	
COC(=O)[C@H]1CC[C@@H]1C(=O)NCc1ccc(N(C)C)cc1	285239072	YLHLYTXUJLHGTK-KBPBESRZSA-N	290.363	1.568	10	20	CDCD	
COC(=O)[C@@H]1C[C@H](OC)CCN1Cc1cccc(C)c1O	371530136	WSBZPFRLFDHGJS-KGLIPLIRSA-N	293.363	1.853	10	20	CDCD	
C[C@@H]1CN(C(=O)c2cccc(O)c2O)C[C@@H](C2CC2)O1	280092173	QVGFISPQMCZELC-RNCFNFMXSA-N	277.320	1.737	10	20	CDCD	
CC[C@@H](N[C@@H](CO)COC)c1ccc(C)cc1O	281230431	URNAZVVVFJGFGT-WCQYABFASA-N	253.342	1.749	10	20	CDCD	
CCN(CCOCCO)Cc1cc(OC)ccc1O	282822278	UHBXGGPWDLFRMJ-UHFFFAOYSA-N	269.341	1.232	10	20	CDCD	
CC(=O)C(=O)Cn1ccnc1[C@@H](O)c1ccc(F)cc1	808033088	GNFNZJYZYSETLJ-ZDUSSCGKSA-N	276.267	1.262	10	20	CDCD	
Cn1cc(/C=C2/C(=O)N3CCCc4cccc2c43)nn1	817345353	IJTXFWCCWUOVRG-MDWZMJQESA-N	266.304	1.649	10	20	CDCD	
Cc1cc(CN2C[C@@H](CO)OC[C@H]2C)ccc1N(C)C	815063272	YYHYBRHBEDZNBH-HIFRSBDPSA-N	278.396	1.643	10	20	CDCD	
C[C@H](NC1CNC1)c1ccc(N2CCOCC2)cc1Cl	817955396	XPDNCXOQKJYTLX-NSHDSACASA-N	295.814	1.799	10	20	CDCD	
C[C@@H]1C[C@@H](NC[C@H](N)c2ccc(N(C)C)cc2)CCN1C	817942815	RBLOPVPVWIDRSI-KMFMINBZSA-N	290.455	1.825	10	20	CDCD	
COc1cccc(CN2CCC[C@@H](n3ccnn3)C2)c1O	822504566	VPWXZUFRSQONKT-CYBMUJFWSA-N	288.351	1.829	10	20	CDCD	
Cc1cc(O)c(CN2C[C@H]3C[C@H]2C(=O)O3)cc1Cl	826043828	SRSZPCNUCNKNOX-KOLCDFICSA-N	267.712	1.854	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)c1cnn(C2CCC2)c1	822972670	XAJKTRBMTLMCIS-UHFFFAOYSA-N	287.319	1.949	10	20	CDCD	
Cn1cc(CCCNC(=O)c2cc(O)cs2)cn1	732282270	DDSVVOLPFVRQQK-UHFFFAOYSA-N	265.338	1.550	10	20	CDCD	
Cc1ccc(C(=O)NCC2CC3(C2)OCCO3)c(O)c1O	832197795	WEJJZZQPIBVJKX-UHFFFAOYSA-N	293.319	1.289	10	20	CDCD	
CCN(CC(=O)O)Cc1ccc(N2CCN(C)CC2)cc1	901426981	WLPHJZCDZWFGDT-UHFFFAOYSA-N	291.395	1.345	10	20	CDCD	
CCOc1ccc(CN[C@@H]2CCN(CCOC)C2)c(O)c1	730817106	HJQYOCSGXVFUNW-CQSZACIVSA-N	294.395	1.601	10	20	CDCD	
O=C(O)N1CC(NCc2c(O)cccc2Cl)C1	831851826	CTKUGZUYBVATNH-UHFFFAOYSA-N	256.689	1.497	10	20	CDCD	
CCOC[C@@H](C(=O)OC)N(C)C(=O)c1cc(O)cs1	830086657	VOXDAKLTHSSBTB-VIFPVBQESA-N	287.337	1.104	10	20	CDCD	
CCCCC[C@H](O)C(=O)NCc1ccc(O)cc1O	910944993	ROMNKZQMDBJODI-LBPRGKRZSA-N	267.325	1.655	10	20	CDCD	
O=C(CCNC1CC1)NCCCSc1nccs1	848400317	GWADNHWGFIMSFO-UHFFFAOYSA-N	285.438	1.884	10	20	CDCD	
CCc1cccc(CN2CCOC[C@@]23CCOC3)c1O	848908818	FAYVPEJXBWPJQW-INIZCTEOSA-N	277.364	1.946	10	20	CDCD	
Nc1ccc(Cc2noc(C[C@@H]3COC(=O)C3)n2)cc1	843159441	PMLNBZQBOLJCQY-JTQLQIEISA-N	273.292	1.348	10	20	CDCD	
CNC[C@H]1CCN(Cc2cc3c(cc2O)OCO3)C1	843052930	PCJILNSGNGNINW-SNVBAGLBSA-N	264.325	1.162	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N[C@@H](CN)C2CC2)cc1	841656328	ZRNMXMHQQSKNLP-AWEZNQCLSA-N	276.384	1.289	10	20	CDCD	
O=C(NCc1c(O)ccc2c1CCCC2)[C@H]1CSCN1	843489577	HVABKECEPRPDLJ-CYBMUJFWSA-N	292.404	1.550	10	20	CDCD	
CNCC1CCN(Cc2cccc(F)c2O)CC1	843049620	OYDAGXREIYHOAS-UHFFFAOYSA-N	252.333	1.963	10	20	CDCD	
CCCCn1nnnc1CN(C)c1ccc2c(c1)OCO2	756653323	GRMSJCRNTUIQTK-UHFFFAOYSA-N	289.339	1.838	10	20	CDCD	
COc1ccc(N(C)CC(=O)Nc2ccon2)cc1F	757858165	ZKFCJHGVYQXVJD-UHFFFAOYSA-N	279.271	1.897	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)C1(F)CCOCC1	866768380	ABFICVMSTXGMPW-UHFFFAOYSA-N	269.272	1.233	10	20	CDCD	
Cc1ccc([C@H](C)N[C@@H]2COCC[C@H]2O)c(O)c1C	866497770	LQQQFVDOSVOEPM-IACUBPJLSA-N	265.353	1.809	10	20	CDCD	
CO[C@H]1CN(Cc2ccc(N(C)C)c(C)c2)CCO1	878970532	SVVDVXGZOMSMGC-OAHLLOKOSA-N	264.369	1.866	10	20	CDCD	
CN(C(=O)CCCS(C)(=O)=O)c1ccc(N)cc1	877078343	MTBXGANFTIKPKT-UHFFFAOYSA-N	270.354	1.056	10	20	CDCD	
COCCc1noc(CN(C)Cc2ccc(C)cc2O)n1	876761400	WYSRTFYXZFIFHQ-UHFFFAOYSA-N	291.351	1.905	10	20	CDCD	
Cc1cccc(O)c1CNC[C@@H]1CC[C@@H](C(=O)N(C)C)O1	877130243	KNVXBABUQDYTKV-WFASDCNBSA-N	292.379	1.426	10	20	CDCD	
C[C@H](NC(=O)Cc1ccn(C)n1)c1ccc(N(C)C)cc1	773002113	XWNOUKISSSBDMC-LBPRGKRZSA-N	286.379	1.906	10	20	CDCD	
CO[C@H](C)Cn1cc(COc2ccc(N)cc2)nn1	881318968	PNLPNWSVBMXWJN-SNVBAGLBSA-N	262.313	1.474	10	20	CDCD	
CCN1C[C@@H](N[C@@H](C)c2c(O)cccc2F)CC1=O	886619128	TVWPESBOUARPKD-UWVGGRQHSA-N	266.316	1.803	10	20	CDCD	
COc1cc(C)cc(CNC[C@H]2CCS(=O)(=O)C2)c1O	894166572	YJUZLHQFOYQKOB-LLVKDONJSA-N	299.392	1.234	10	20	CDCD	
CC(C)[C@@H](O)C(=O)N(C)Cc1ccc(N(C)C)cc1	794852281	GBZFJJHASHJSGR-CQSZACIVSA-N	264.369	1.728	10	20	CDCD	
COC(=O)[C@@H](C)NCc1ccc(N2CCN(C)CC2)cc1	793362069	RXDDIQNDGZCTPP-CYBMUJFWSA-N	291.395	1.090	10	20	CDCD	
COC[C@H](CCO)NCc1c(O)cccc1Cl	219128278	GCFXAEXKEROSTA-VIFPVBQESA-N	259.733	1.533	10	20	CDCD	
C[C@H](CNCc1cc(F)c(N(C)C)cc1F)C(=O)O	1261845626	IYOIRLVXCCQCSE-MRVPVSSYSA-N	272.295	1.841	10	20	CDCD	
CCOC1CC2(C1)C[C@H]2C(=O)NCc1cccc(O)c1O	1348047089	LOIMASGENOWILG-BGMSHATGSA-N	291.347	1.919	10	20	CDCD	
COc1cncc(S(=O)(=O)Nc2ccc(O)c(C)c2)c1	799124835	UVSXSTZOIJHBML-UHFFFAOYSA-N	294.332	1.905	10	20	CDCD	
C[C@H](CNC(=O)C(=O)NCCc1ccc(N)cc1)C1CC1	1348580532	NETOUEWKQGFQGA-LLVKDONJSA-N	289.379	1.090	10	20	CDCD	
CO[C@@]1(C(=O)NCc2cccc(O)c2O)CCSC1	1352672334	VCTONZIXAJLLGS-ZDUSSCGKSA-N	283.349	1.236	10	20	CDCD	
Cc1cc(O)c(CN[C@H](CF)C(=O)O)c(Cl)c1	1600286866	YEUMYBJYRLRMGR-SECBINFHSA-N	261.680	1.866	10	20	CDCD	
O=C(N[C@@H](CC1CCOCC1)C(=O)O)c1cc(O)cs1	1608395328	SXIVGRCIWMCRKY-JTQLQIEISA-N	299.348	1.453	10	20	CDCD	
Cc1ccc(O)c(CN2C[C@H]3COCC[C@@]3(C(=O)O)C2)c1	1600465438	ZEPKRHDUXUHGHK-XJKSGUPXSA-N	291.347	1.624	10	20	CDCD	
Cn1cc([C@@H]2C[C@H]2CNCc2ccc(N)cc2)cn1	1579969441	KIJPNOQBLIZCSG-SWLSCSKDSA-N	256.353	1.896	10	20	CDCD	
NC[C@H]1C[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1	1580332981	DRCFDMQRQYDAGS-JLIMDTESSA-N	275.312	1.316	10	20	CDCD	
CN(C)c1ccc(CNC[C@@]2(C(=O)O)CC2(F)F)cc1	1777040205	CEVKXJPXPXFOCD-CYBMUJFWSA-N	284.306	1.952	10	20	CDCD	
CO[C@@H](CNCc1cc(C)ccc1O)[C@@H]1CCOC1	850342516	MDBYMAHRNUQMGP-DOMZBBRYSA-N	265.353	1.842	10	20	CDCD	
COc1cccc(O)c1CN1CC[C@@H](C(=O)O)[C@H]1C	1599680289	KAGDXFIIROBCDT-NXEZZACHSA-N	265.309	1.696	10	20	CDCD	
COc1cccc(CNCCc2ccn(C)n2)c1O	230880551	BAQIUFUNWBBNKM-UHFFFAOYSA-N	261.325	1.467	10	20	CDCD	
CCOc1cccc(CN2CC[C@](C)(C(N)=O)C2)c1O	233821265	AUHODKOGXJDEPF-HNNXBMFYSA-N	278.352	1.488	10	20	CDCD	
COc1cc(Cl)cc(CN2CC[C@](C)(C(N)=O)C2)c1O	234915329	IYPWABMOQZDZKB-AWEZNQCLSA-N	298.770	1.752	10	20	CDCD	
O=C(O)[C@@H](NCc1ccc2c(c1)CCO2)C1CCC1	399235555	CEEJNPPQWBXERG-AWEZNQCLSA-N	261.321	1.964	10	20	CDCD	
C[C@H](NC[C@@H](C)O)c1ccc(N2CCOCC2)c(F)c1	179586315	RWDISWPSBWUKKG-NEPJUHHUSA-N	282.359	1.694	10	20	CDCD	
CC(C)n1nnnc1Sc1ncc([N+](=O)[O-])s1	60219829	PCXKZDJQWJJVQO-UHFFFAOYSA-N	272.315	1.770	10	20	CDCD	
CCCCCN(CCO)C(=O)c1cccc(O)c1O	189537417	JLOFIUWYHIYSRH-UHFFFAOYSA-N	267.325	1.723	10	20	CDCD	
CC[C@@H](C)OCC(=O)N[C@H](C)Cc1ccc(O)c(O)c1	185389890	VWYDIXFGJFOGAK-GHMZBOCLSA-N	281.352	1.960	10	20	CDCD	
COC(=O)[C@H]1[C@@H](O)CCCN1Cc1cc(Cl)ccc1O	188783181	YEKGVQVSGXHVRO-QWHCGFSZSA-N	299.754	1.544	10	20	CDCD	
CCN(C)C(=O)[C@H](C)NCc1cc(C)ccc1O	188476517	NDZUEHWBOYEBTN-NSHDSACASA-N	250.342	1.657	10	20	CDCD	
CO[C@H](C)C(=O)NCc1c(O)ccc2c1CCCC2	75159627	ZHSGWVXBEOQMSB-SNVBAGLBSA-N	263.337	1.922	10	20	CDCD	
Cc1ccc(O)c(CN2CCCS(=O)(=O)CC2)c1	219781681	OSNYCRBKJQOTGX-UHFFFAOYSA-N	269.366	1.321	10	20	CDCD	
CN1CCN(Cc2cc(F)ccc2O)C(C)(C)C1=O	180195955	ROJQQNFQDOSHFN-UHFFFAOYSA-N	266.316	1.584	10	20	CDCD	
FC(F)(F)Cn1nnnc1CSc1nccs1	192132321	KMOKUSSHFSIKHU-UHFFFAOYSA-N	281.288	1.984	10	20	CDCD	
CC(C)S(=O)(=O)CCNCc1ccc2c(c1)CCO2	290231020	SWHNBBRHPCJCMS-UHFFFAOYSA-N	283.393	1.534	10	20	CDCD	
NC1(C(=O)NCc2ccc(N3CCSCC3)cc2)CC1	237931599	GRIGSCXRNPDICE-UHFFFAOYSA-N	291.420	1.347	10	20	CDCD	
COC[C@H](CO)N[C@@H](C)c1ccc(N(C)C)cc1	234825384	LMPBDKRPRPPPJI-AAEUAGOBSA-N	252.358	1.411	10	20	CDCD	
COC(=O)CC(C)(C)NCc1cccc(OC)c1O	237132903	YRCNFCWXJREIBE-UHFFFAOYSA-N	267.325	1.832	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)CCc1cn[nH]c1	863858978	DIDRGNYXOGCQEV-UHFFFAOYSA-N	259.309	1.707	10	20	CDCD	
OC[C@@H](CNCc1c(O)cccc1Cl)[C@H]1CCOC1	280245251	IKSOVFFLKVFQAG-WDEREUQCSA-N	285.771	1.780	10	20	CDCD	
O=C(NCCN[C@H]1CCc2cccc(O)c21)c1ccn[nH]1	296292188	DCRUYHFVPFMIEL-NSHDSACASA-N	286.335	1.122	10	20	CDCD	
O=C(N[C@@H]1CCSC1)c1c(F)ccc(O)c1O	295030669	RLWBYLOCMREFLP-ZCFIWIBFSA-N	257.286	1.472	10	20	CDCD	
OCCCN1CCC[C@@H](NCc2ccccc2O)C1	295147077	QSNXFVMDRTZKMK-CQSZACIVSA-N	264.369	1.329	10	20	CDCD	
C[C@H](NC[C@H](N)c1ccc(N(C)C)cc1)c1cnccn1	817938539	MRAQUXNDJLLKPD-WFASDCNBSA-N	285.395	1.893	10	20	CDCD	
COC[C@@H](C)OC[C@H](O)CNCc1ccc(N(C)C)cc1	818941673	NMPNCIBSNUNSLC-CZUORRHYSA-N	296.411	1.255	10	20	CDCD	
CN(C)c1ccc(CN[C@H]2CCc3nnnn3CC2)cc1	817418987	NLTROEPUSRCSEE-ZDUSSCGKSA-N	286.383	1.234	10	20	CDCD	
CO[C@@H]1CCOC[C@H]1N[C@@H]1CCc2cccc(O)c21	724872520	MKAJCEIFAKRLHJ-YRGRVCCFSA-N	263.337	1.773	10	20	CDCD	
CCCn1cc(C(=O)NCCc2ccc(N)cc2)cn1	818544749	LVVORQRRCIJUSH-UHFFFAOYSA-N	272.352	1.848	10	20	CDCD	
CN(Cc1cn(C)nn1)Cc1cccc(Cl)c1O	827304785	FAJCQKLSZNLMLG-UHFFFAOYSA-N	266.732	1.806	10	20	CDCD	
C[C@@H](NC(=O)CCCNC(=O)C1CC1)c1ccccc1O	827923296	OFQHZLMSNPGNCG-LLVKDONJSA-N	290.363	1.876	10	20	CDCD	
CCOC(=O)CN(C(=O)c1cc(O)cs1)C1CC1	823451920	VHJWNJZBWGPMCM-UHFFFAOYSA-N	269.322	1.621	10	20	CDCD	
O=C(O)C1(C(=O)NCc2ccc(N3CCCC3)cc2)CC1	738524236	LNZCZASUQDMNMB-UHFFFAOYSA-N	288.347	1.768	10	20	CDCD	
C[C@H](Cc1cnn(C)c1)NC(=O)c1cc(O)cs1	839787282	WLRPRDAVCYRWAV-MRVPVSSYSA-N	265.338	1.548	10	20	CDCD	
Oc1cc2c(cc1CN1CC(OCC(F)F)C1)OCO2	839138201	NQSPSKIQFOJZSX-UHFFFAOYSA-N	287.262	1.587	10	20	CDCD	
O=C(N[C@H](C1CC1)[C@@H](CO)C1CC1)c1cccc(O)c1O	834009091	DSDUDSPQXCYKGA-GXTWGEPZSA-N	291.347	1.625	10	20	CDCD	
COc1ccc(O)c(CNCc2ccoc2C(=O)O)c1	833733714	NHGHWDSIFDVIEJ-UHFFFAOYSA-N	277.276	1.982	10	20	CDCD	
C[C@@H](C(=O)NCc1ccc(O)cc1O)N1[C@H](C)CC[C@H]1C	910954577	LJBKZVKTGWEICZ-UTUOFQBUSA-N	292.379	1.975	10	20	CDCD	
CC[C@@H](C)NC(=S)NCCc1ccc(O)c(O)c1	749752822	UXLARQMSEPUUQP-SECBINFHSA-N	268.382	1.903	10	20	CDCD	
CCN[C@H](C)CNC(=O)NCc1ccc(N(C)C)c(F)c1	841762359	WPUQWBGNZJTPCK-LLVKDONJSA-N	296.390	1.689	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)NCCC(=O)O	818475805	TYCBGEGXLLFCHE-UHFFFAOYSA-N	252.270	1.008	10	20	CDCD	
Nc1ccc(NC(=O)C(=O)N2CCC3(CCC3)C2)cc1	841068709	HYAYRRQNMCMHFC-UHFFFAOYSA-N	273.336	1.610	10	20	CDCD	
COc1cc(O)c(CN(C)[C@@H]2CCNC2)cc1OC	843049720	TWEFRJQUDJUWMK-LLVKDONJSA-N	266.341	1.203	10	20	CDCD	
C[C@H](NC(=O)N1CCC[C@@H]1CN)c1ccc(N(C)C)cc1	841882272	HTMXCMZLFXIPGD-SWLSCSKDSA-N	290.411	1.946	10	20	CDCD	
CN(C)c1ccc(CNC(=O)Cc2cncc(O)c2)cc1	848367401	IOYDUQRBKAYCAY-UHFFFAOYSA-N	285.347	1.712	10	20	CDCD	
CCn1ccc(CNC(=O)c2ccc(C)c(O)c2O)n1	840493750	HKSPUKGLMSEMHE-UHFFFAOYSA-N	275.308	1.553	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1CCS(=O)(=O)C[C@@H]1C	840918359	SRCASUZMFWGBAT-ZDUSSCGKSA-N	296.436	1.680	10	20	CDCD	
O=C1CCCN1CCNCc1cc(Cl)cc(F)c1O	846083453	CLKSVFZMAOCQHK-UHFFFAOYSA-N	286.734	1.897	10	20	CDCD	
CN(CCNCc1cc2c(cc1O)OCO2)CC(F)F	858336342	DKTODHOBCHUGFQ-UHFFFAOYSA-N	288.294	1.407	10	20	CDCD	
COc1cc(O)c(CN2C[C@H]3CCC[C@]3(N)C2)cc1OC	857226524	QMLAUKBYTOTMEK-WBMJQRKESA-N	292.379	1.723	10	20	CDCD	
CCO[C@@H]1COC[C@H]1NCc1ccc2c(c1)CCCO2	922166828	JVLGYFOWVYJFDF-GDBMZVCRSA-N	277.364	1.905	10	20	CDCD	
CN(CC1=CCSC1)Cc1cc2c(cc1O)OC[C@@H]2O	853620507	SODVUYBZWUKAMC-AWEZNQCLSA-N	293.388	1.923	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@H]2CCc3n[nH]cc3C2)c1	862757643	ARWBXUHOCFNCSD-NSHDSACASA-N	285.347	1.845	10	20	CDCD	
Cc1cccc(O)c1CN(C)CC1(O)CCOCC1	877459080	GBJVWKRAMXFLHR-UHFFFAOYSA-N	265.353	1.674	10	20	CDCD	
C[C@H](NC[C@@H](CO)[C@@H]1CCOC1)c1c(O)cccc1F	886605620	VIDICAFNYIGVOX-TUAOUCFPSA-N	283.343	1.827	10	20	CDCD	
O=C(N[C@H]1CCCC2(C1)OCCO2)c1cc(O)cs1	782854802	GXBUCOHRVBOSQA-VIFPVBQESA-N	283.349	1.869	10	20	CDCD	
Cn1cc([C@@H](O)CNCc2cc(F)cc(F)c2O)cn1	883018488	FUSUSPSLECWMKL-LBPRGKRZSA-N	283.278	1.227	10	20	CDCD	
COc1ccc(CNC[C@H](CO)CC2CC2)c(O)c1OC	895395755	BUKIPGBHDHCHPJ-GFCCVEGCSA-N	295.379	1.908	10	20	CDCD	
CNC(=O)C[C@H](C)NCc1cc(C)cc(OC)c1O	894917149	KSMJGECCECAKEK-JTQLQIEISA-N	266.341	1.323	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)C2(C)COC2)c1	782737956	HSUBOOUOHYBKKW-SECBINFHSA-N	265.309	1.615	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)NC[C@H]1C[C@H](N)C1	892577724	DAHDEGTXWZBWBE-UMSPYCQHSA-N	263.341	1.271	10	20	CDCD	
CCN(Cc1cc(Cl)cc(F)c1O)[C@@H]1CCNC1=O	799737716	LVMYCAKKEGWRDS-LLVKDONJSA-N	286.734	1.895	10	20	CDCD	
CCN1CCC[C@@H](N[C@@H]2CCc3cccc(O)c32)C1=O	722356436	PPGMXVSZTYNZIS-CHWSQXEVSA-N	274.364	1.980	10	20	CDCD	
CO[C@@H](CNCc1c(O)ccc(Cl)c1F)C(=O)O	1332475545	CZTLHNLOFMEUKW-VIFPVBQESA-N	277.679	1.374	10	20	CDCD	
COC(=O)C[C@](C)(NC(=O)Cc1ccc(N)cc1)C1CC1	1578800223	CFARCNKQPJTYED-INIZCTEOSA-N	290.363	1.659	10	20	CDCD	
CCN(C)c1ccc(CN[C@](C)(CO)C(=O)O)cc1	1596197525	JRCQYXGZCAZELE-CQSZACIVSA-N	266.341	1.068	10	20	CDCD	
CC(C)(CC(=O)O)NC(=O)c1ccc(N=NC(N)=O)cc1	1590642697	URVFHXRSHRNTMN-UHFFFAOYSA-N	292.295	1.832	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2ccc([N+](=O)[O-])o2)c1	155981957	UZGFKKWOVBZJRC-UHFFFAOYSA-N	292.247	1.832	10	20	CDCD	
COc1cccc(O)c1CN1CC[C@H]2CC[C@@H](C1)N2	843054145	FKMHLUFWIRVZGT-NEPJUHHUSA-N	262.353	1.727	10	20	CDCD	
COc1cccc(O)c1CN1CC[C@@H](CC(N)=O)C1	809785509	VLASNEUFDCWKAR-JTQLQIEISA-N	264.325	1.098	10	20	CDCD	
C[C@@H](N[C@H](C)c1ccc(N(C)C)cc1)C(=O)N(C)C	37267761	FBFQDOKRBYBIGF-VXGBXAGGSA-N	263.385	1.880	10	20	CDCD	
Cc1ccc([C@@H](C)NCC2(S(C)(=O)=O)CC2)c(O)c1	280933032	IGJJYXXIYKPYOF-LLVKDONJSA-N	283.393	1.928	10	20	CDCD	
COc1ccc(O)c(CNCCC2(O)CCC2)c1	285371982	ZJSHGASFRGEHFU-UHFFFAOYSA-N	251.326	1.796	10	20	CDCD	
CCCN(CC)CCNC(=O)Cc1ccc(N)cc1	178836019	SCYLIWDFSWHICE-UHFFFAOYSA-N	263.385	1.659	10	20	CDCD	
CO[C@](C)(CNC(=O)c1cccc(O)c1O)C1CC1	311691420	KLBMFLIJRLSELY-CQSZACIVSA-N	265.309	1.643	10	20	CDCD	
CCOC[C@H]1CN(Cc2cc(OC)ccc2O)CCO1	529667489	WWXBLDQUWIZPMA-CQSZACIVSA-N	281.352	1.638	10	20	CDCD	
COc1cccc(CN2C[C@@H]3CCC[C@]3(CN)C2)c1O	380785340	VJLFTKCZBPXVNJ-BBRMVZONSA-N	276.380	1.962	10	20	CDCD	
COc1cccc(CNC(=O)c2ncoc2C)c1O	105649315	NOETYYBKVDMKJK-UHFFFAOYSA-N	262.265	1.627	10	20	CDCD	
O[C@@H]1CCN(Cc2ccc(N3CCOCC3)cc2)C1	305739560	XSHJAASMKGMOFY-OAHLLOKOSA-N	262.353	1.090	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NC[C@H]2CC[C@H](O)C2)cc1	189810489	BUBMPYGLQDTPOK-ZFWWWQNUSA-N	291.395	1.713	10	20	CDCD	
Cc1ccc(C(=O)NCC2(CO)CCCC2)c(O)c1O	186991908	IJUGMEHREFHADV-UHFFFAOYSA-N	279.336	1.689	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NCCc1cccnc1	180905327	XBAJHMCRVOKMDY-GQCTYLIASA-N	284.315	1.865	10	20	CDCD	
COCCCN(C)c1ccc(OCC(=O)OC)cc1	183790500	IUFNJSWNYNNQMV-UHFFFAOYSA-N	267.325	1.711	10	20	CDCD	
COC(=O)[C@H]1[C@@H](O)CCCN1Cc1cc(C)c(C)cc1O	188779624	XFPORJZPSRAIFY-DZGCQCFKSA-N	293.363	1.507	10	20	CDCD	
CC(C)[C@H]1C(=O)NCCN1Cc1ccc(N(C)C)c(F)c1	131452526	HYLHCBVLYKLPAA-HNNXBMFYSA-N	293.386	1.848	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)Cc1cnn(C)n1	289289729	AFRWEYGWHRTAAR-UHFFFAOYSA-N	259.357	1.513	10	20	CDCD	
CCOc1ccc(O)c(CNCC2(O)CCOCC2)c1	237035215	ZOESDAFARUYIRL-UHFFFAOYSA-N	281.352	1.422	10	20	CDCD	
Cc1ccc(C(=O)NO[C@@H]2CCCCO2)c(O)c1O	267608073	QTXKDXWOWSSSSM-SNVBAGLBSA-N	267.281	1.594	10	20	CDCD	
C[C@H](NCC[C@@H](C)O)c1ccc(N2CCOCC2)cc1	268927948	YMVGKXZCCCIQHO-KGLIPLIRSA-N	278.396	1.945	10	20	CDCD	
C[C@H](NCc1cc([N+](=O)[O-])ccc1O)c1ncn(C)n1	275849284	RJARAQPZUVQFQU-QMMMGPOBSA-N	277.284	1.280	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CCCC(N)=O)cc1F	278763452	UBVNIAHVUWJYLO-UHFFFAOYSA-N	281.331	1.164	10	20	CDCD	
O=C(CNC(=O)c1cccc(O)c1O)OC1CCCCC1	279302310	NNBZXSAYRVTCMJ-UHFFFAOYSA-N	293.319	1.704	10	20	CDCD	
COC(=O)CCCN(C)c1ccc(OCC(=O)OC)cc1	273039730	DQJFBWMFEILYPK-UHFFFAOYSA-N	295.335	1.628	10	20	CDCD	
COc1cccc(CN[C@]2(CCO)CCOC2)c1O	278544503	YAGQELGBCMYQOO-CQSZACIVSA-N	267.325	1.032	10	20	CDCD	
COc1ccc(CN[C@@]2(CCO)CCOC2)cc1C	278541128	XJWUVEHYEDTPTJ-HNNXBMFYSA-N	265.353	1.635	10	20	CDCD	
COc1ccc(O)c(CN2CCO[C@]3(CCO[C@@H]3C)C2)c1	279707340	SAORYAXVCDDRJQ-MLGOLLRUSA-N	293.363	1.781	10	20	CDCD	
Cc1nc([C@@H]2COCCN2Cc2cccc(C)c2O)no1	374817963	IQWHUWOHCKWFET-ZDUSSCGKSA-N	289.335	1.966	10	20	CDCD	
CC[C@@H]1CN(C(=O)c2cccc(O)c2O)C[C@H](C)[S@@]1=O	287211149	IITIWSCIFICKPH-AUKWLOTRSA-N	297.376	1.469	10	20	CDCD	
Cc1noc(CCCNC(=O)c2c(F)ccc(O)c2O)n1	294759738	BDRWFANTPHJJGO-UHFFFAOYSA-N	295.270	1.291	10	20	CDCD	
COCCN1CN(Cc2ccc(N(C)C)cc2)CC1=O	801602666	TXMBEQUTFHTGET-UHFFFAOYSA-N	277.368	1.001	10	20	CDCD	
O=C(NCc1ccccc1O)c1cc2ncccn2n1	816912254	QRIIBILXEHWMJT-UHFFFAOYSA-N	268.276	1.365	10	20	CDCD	
CCOC[C@H](O)CNc1ccccc1OCCF	819488578	NRTITFDYARGOKS-LLVKDONJSA-N	257.305	1.844	10	20	CDCD	
C[C@H](NCCCN1CCNCC1)c1ccccc1O	817934805	CVPDJDATSJXILC-ZDUSSCGKSA-N	263.385	1.338	10	20	CDCD	
C[C@@H](NC(=O)C1(O)CCSCC1)c1ccccc1O	827940370	CEGPINKMFPLYMY-SNVBAGLBSA-N	281.377	1.828	10	20	CDCD	
O=C(N[C@H]1CCc2n[nH]cc2C1)c1c(F)ccc(O)c1O	825826466	COFHZJHHPMFVOT-QMMMGPOBSA-N	291.282	1.247	10	20	CDCD	
C[C@H](NCc1ccc2c(c1)CCO2)c1cnnn1C	822273279	DHMMRTUUUQUNGS-JTQLQIEISA-N	258.325	1.601	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)NCc1cccnc1	588403701	WJPUJVOSSXBEPP-XQRVVYSFSA-N	270.288	1.822	10	20	CDCD	
O=C(O)c1ccc2c(c1)CCN2C(=O)/C=C\c1cnccn1	737391932	PKRQXHUPFDTRLI-RQOWECAXSA-N	295.298	1.777	10	20	CDCD	
Cc1cc(O)c(CNC[C@@H]2COCCO2)cc1C	742367589	FIERKFFOUSMLDE-CYBMUJFWSA-N	251.326	1.514	10	20	CDCD	
C[C@@H]1COC[C@H]1NC(=O)NCc1ccc(N(C)C)c(F)c1	915366814	UEDLINHRSCPLSS-ZWNOBZJWSA-N	295.358	1.726	10	20	CDCD	
CNCCCNCc1cc(Br)ccc1O	841041492	IMLNNCJXYXDPJP-UHFFFAOYSA-N	273.174	1.854	10	20	CDCD	
COC[C@]1(CNCc2ccc(N(C)C)cc2C)CCCN1	841067871	QBPDGPCYNARWLH-QGZVFWFLSA-N	291.439	1.919	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@H](N)C1	841827596	OEPRJIMPGPXWFO-ZDUSSCGKSA-N	276.384	1.304	10	20	CDCD	
C[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccc(N)cc1	840999137	CJVHEUAKYIXIOF-ZWNOBZJWSA-N	275.352	1.902	10	20	CDCD	
CN1CC[C@@H](C(=O)NCc2c(O)ccc3c2CCCC3)C1	743719611	KYUCWHUHKJBQCH-CYBMUJFWSA-N	288.391	1.839	10	20	CDCD	
COc1ccc(CNC(=O)CCc2ccon2)c(O)c1	846950354	ODGMJHSPVXFJPR-UHFFFAOYSA-N	276.292	1.638	10	20	CDCD	
COc1ccc(N2CCC(NC[C@H](C)C(=O)O)CC2)cc1	848638134	PAPIBPJJSRUITP-LBPRGKRZSA-N	292.379	1.974	10	20	CDCD	
Cc1cc(NS(=O)(=O)c2cnc(C)n2C)ccc1O	863406020	QRLGEVLZTRGXKX-UHFFFAOYSA-N	281.337	1.543	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)C1(C(N)=O)CCC1	769282144	LLZSETIFCLYKDN-UHFFFAOYSA-N	262.309	1.006	10	20	CDCD	
Cc1nonc1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	763279504	LWNZCHSBRPVWJL-SSDOTTSWSA-N	277.280	1.150	10	20	CDCD	
COC(=O)NC1CN(Cc2cc(Cl)cc(F)c2O)C1	1117867389	CSOPNUCMAWMCSF-UHFFFAOYSA-N	288.706	1.725	10	20	CDCD	
COCCN(C)C(=N)NCc1ccc(N2CCCC2)cc1	871604271	ZOZXMCQQJLLRRT-UHFFFAOYSA-N	290.411	1.889	10	20	CDCD	
C[C@H](C(=O)NC(C)(C)C)N(C)C(=O)c1cc(O)cs1	777223344	UDIWNMQDAMMFQP-MRVPVSSYSA-N	284.381	1.829	10	20	CDCD	
COc1cc(O)c(CNC[C@@](C)(O)C2CC2)cc1OC	776173953	FDDRVLQRGTYNNY-OAHLLOKOSA-N	281.352	1.660	10	20	CDCD	
COc1cccc(CNC(=O)NC[C@@H]2CC(C)=NO2)c1O	875972256	TULYOGWJFLTYFC-NSHDSACASA-N	293.323	1.365	10	20	CDCD	
CCOc1ccc(CN2CCN(C)C(=O)[C@H]2C)c(O)c1	779200068	SSVUSHORVATEHW-LLVKDONJSA-N	278.352	1.453	10	20	CDCD	
Cc1cc(O)c(CN(C)CCNC(=O)N(C)C)cc1C	779432554	UYZPXZZQRIBSGP-UHFFFAOYSA-N	279.384	1.712	10	20	CDCD	
Oc1ccc(F)cc1CNC[C@@H](O)c1ccco1	779050919	YWIDSOKIJOCSAI-GFCCVEGCSA-N	251.257	1.948	10	20	CDCD	
CCN(C)c1ccc(Cn2cc([C@@H](C)N)nn2)cc1	881313286	HDAYRDZIBLBMPK-LLVKDONJSA-N	259.357	1.802	10	20	CDCD	
CCNC(=O)CN[C@@H](C)c1cc(OC)ccc1O	36780407	YICHPMSMSZLPRB-VIFPVBQESA-N	252.314	1.188	10	20	CDCD	
Nc1ccc(CN2CC[C@@H](N3CCCC3=O)C2)cc1	1336116531	FMNSBMUONXZJEL-CQSZACIVSA-N	259.353	1.466	10	20	CDCD	
CC(C)OCCN1CCN(Cc2ccc(N)cc2)CC1	1336116056	AXBBDIQCVPRSFP-UHFFFAOYSA-N	277.412	1.811	10	20	CDCD	
NC[C@@H](NC(=O)NCc1ccc(N)cc1)C1CCCC1	1336238094	BABXUURDQSPTHW-CQSZACIVSA-N	276.384	1.586	10	20	CDCD	
CO[C@H]1COCC[C@H]1CNC(=O)c1c(F)ccc(O)c1O	1330676382	HRLKPCJYBGMAOZ-KWQFWETISA-N	299.298	1.018	10	20	CDCD	
CCn1ncnc1CN[C@H](C)c1cc(F)ccc1O	794843364	VZVSAPUOBSBUMX-SECBINFHSA-N	264.304	1.994	10	20	CDCD	
C[C@@H](NCCCN1CCOCC1)c1ccccc1O	20141606	ZGLJZFAZQIIXRV-CYBMUJFWSA-N	264.369	1.765	10	20	CDCD	
O=C(O)C[C@]1(NCc2ccccc2O)CCOC1	1350611259	QTNGZZGBKKQBFB-CYBMUJFWSA-N	251.282	1.116	10	20	CDCD	
C[C@H](CNC(=O)NCc1cccc(Cl)c1O)C(=O)O	1353124823	DAWNGJHMLQPIFM-SSDOTTSWSA-N	286.715	1.566	10	20	CDCD	
O=C(O)[C@@H]1CC[C@@H](NCc2ccc3c(c2)CCO3)C1	1601795043	ZXMJRWXMOYHESM-CHWSQXEVSA-N	261.321	1.964	10	20	CDCD	
O=C(O)CCN1CCC[C@@H](Sc2nccs2)C1=O	1602014488	YHWNSDJOWQVEGP-MRVPVSSYSA-N	286.378	1.701	10	20	CDCD	
O=C(O)[C@@H]1COCCN1Cc1cccc(Cl)c1O	1610746877	WCXHYVWVPVHIGY-JTQLQIEISA-N	271.700	1.331	10	20	CDCD	
N[C@@H]1C[C@H](C(=O)NCc2cc(Cl)ccc2O)[C@H]2C[C@H]21	1580401609	ODTPCFIMRUPYAH-WHOHXGKFSA-N	280.755	1.645	10	20	CDCD	
CCOc1cccc(CN2C[C@@H](C(=O)O)C[C@@H](O)C2)c1O	1597155880	VKZYPWQQDVSWEJ-NWDGAFQWSA-N	295.335	1.058	10	20	CDCD	
C[C@H](N)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	157311932	OTJPBFAIXCMAKA-WCQYABFASA-N	278.352	1.247	10	20	CDCD	
CCC[C@](C)(O)C(=O)NCc1cccc(OC)c1O	159749518	NXRUDNXDJIZLRH-AWEZNQCLSA-N	267.325	1.568	10	20	CDCD	
C[C@@H](Cc1ccncc1)NC(=O)Cc1ccc(N)cc1	831062873	PQBSBXMBFUMLPC-LBPRGKRZSA-N	269.348	1.954	10	20	CDCD	
Nc1ccc(CC(=O)N2CCN(CC3CC3)CC2)cc1	37816792	PJDFBQZPHKXPKZ-UHFFFAOYSA-N	273.380	1.366	10	20	CDCD	
CCS(=O)(=O)CC(=O)NCc1ccc(N(C)C)cc1C	115280501	TXVPSCJWPIWHCN-UHFFFAOYSA-N	298.408	1.112	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NCc1ccc[nH]1	181135773	XCKBCNRKJVRVOT-GQCTYLIASA-N	258.277	1.756	10	20	CDCD	
Cc1ccc(C(=O)NC[C@@H](C)N(C)C2CC2)c(O)c1O	182319623	YEYITQIQLKBTFK-SNVBAGLBSA-N	278.352	1.619	10	20	CDCD	
CC(C)C[C@H](CO)NC(=O)c1cccc(O)c1O	126614745	LIHRYQOZDBAJLK-SECBINFHSA-N	253.298	1.235	10	20	CDCD	
O=C(NCCCSc1nccs1)[C@H]1CCCO1	78713573	FIVCUOVXXVOXSM-SECBINFHSA-N	272.395	1.921	10	20	CDCD	
COC(=O)[C@H](C)N1CCOc2cc(N(C)C)ccc21	130425599	HOERXMGUBJTTQW-JTQLQIEISA-N	264.325	1.513	10	20	CDCD	
C[C@@H](N)[C@@H]1CN(Cc2cc(Cl)ccc2O)CCO1	132621661	SQSAXGSSPIDUBF-RNCFNFMXSA-N	270.760	1.594	10	20	CDCD	
COC(=O)CN(Cc1cc(OC)c(OC)cc1O)C(C)C	271741372	RBOJUYYPMFTEID-UHFFFAOYSA-N	297.351	1.793	10	20	CDCD	
C[C@H](N[C@@H](CO)c1cnn(C)c1)c1cc(F)ccc1O	273526919	VKPHFRXHCYTQDC-ZANVPECISA-N	279.315	1.649	10	20	CDCD	
Cc1ccc(C(=O)NC[C@H](C)CCO)c(O)c1O	272744258	MQRRPPWIZVVADM-MRVPVSSYSA-N	253.298	1.155	10	20	CDCD	
C[C@@H](NCc1cnn(C)c1)c1cc([N+](=O)[O-])ccc1O	273362509	DFBRNAAZUXCSLO-SECBINFHSA-N	276.296	1.885	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)NC[C@@H]2CC[C@@H](O)C2)c1	276618430	MEAHIUMBQLTZJY-DMDPSCGWSA-N	293.363	1.990	10	20	CDCD	
Cc1ccc(O)c(CN2CC[S@@](=O)C[C@H](C)C2)c1	277588872	UQUXAIGDQYQMCE-KZULUSFZSA-N	267.394	1.901	10	20	CDCD	
CCOc1cccc(CN2CCOC[C@H]2C(=O)OC)c1O	271206484	WHRPNVWFVRBCGO-LBPRGKRZSA-N	295.335	1.165	10	20	CDCD	
C[C@@H]1CC(=O)CC[C@@H]1C(=O)NCc1ccc(O)c(O)c1	272387133	WZPIYXVZIOHISR-SKDRFNHKSA-N	277.320	1.719	10	20	CDCD	
Cn1ncc(CCCN[C@H]2CCc3cccc(O)c32)n1	297433345	VNOHNGLLGONNJS-ZDUSSCGKSA-N	272.352	1.730	10	20	CDCD	
COc1ccc(O)c(CNC(=O)CCc2ncc[nH]2)c1	806858176	FMRLFGSOSVSOJW-UHFFFAOYSA-N	275.308	1.373	10	20	CDCD	
CN(C)CCN(C(=O)c1cccc(O)c1O)C1CC1	807267033	NNMRVTYOILDTJH-UHFFFAOYSA-N	264.325	1.264	10	20	CDCD	
CCOc1ccc(O)c(CN2CC(C(C)(C)O)C2)c1	297518712	XYFUHHJJKBCOEI-UHFFFAOYSA-N	265.353	1.994	10	20	CDCD	
COc1cccc(CNC(=O)c2cccc(CO)c2)c1O	813488870	HYMVRNQVDAGOBL-UHFFFAOYSA-N	287.315	1.823	10	20	CDCD	
C[C@H]1C[C@@H](CO)CN(Cc2cc(F)ccc2O)C1	817412031	BMKWQOQTDDGHHP-WDEREUQCSA-N	253.317	1.982	10	20	CDCD	
C[C@H](NCc1ccc(N2CCN(C)CC2)cc1)C(=O)O	820141791	IHULAUOLMJGCGO-LBPRGKRZSA-N	277.368	1.001	10	20	CDCD	
Cc1cc(O)c(CN2CC(=O)N(C)C2)cc1Cl	825474347	ASNAMQBCKDWAFS-UHFFFAOYSA-N	254.717	1.586	10	20	CDCD	
C[C@H](CC(N)=O)C(=O)N[C@H](C)c1ccccc1O	827947041	ZCQCBLMOKKIKSZ-RKDXNWHRSA-N	250.298	1.081	10	20	CDCD	
CN(C)c1ccc(CNc2cccc(-c3nn[nH]n3)n2)cc1	736781323	XZEZGBIBYQMTLC-UHFFFAOYSA-N	295.350	1.940	10	20	CDCD	
C[C@@H](C[C@@H]1CCOC1)NC(=O)Cc1ccc(N)cc1	831299168	OOMNPIWSYFFNDP-AAEUAGOBSA-N	262.353	1.743	10	20	CDCD	
CN1CCC[C@H](CNC(=O)/C=C\c2ccc(O)c(O)c2)C1	588405198	XVSWKNUODROATJ-SCXUMTSISA-N	290.363	1.569	10	20	CDCD	
CC[C@@H](O)[C@@H](C)C(=O)N1CCOc2cc(N(C)C)ccc21	900894947	KOUGWYBVWILNSR-BXUZGUMPSA-N	292.379	1.885	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NC(CF)CF)cc1F	836530181	SXILJDLOVIJYSX-UHFFFAOYSA-N	289.301	1.999	10	20	CDCD	
Cn1cc(/C=C2/SC(N3CCCCC3)=NC2=O)nn1	741472016	RTVFJNGFXQTMCU-JXMROGBWSA-N	277.353	1.271	10	20	CDCD	
Oc1c(F)cccc1CN1CC[C@H]2CC[C@@H](C1)N2	843054521	QBUNRDNIZGIOJX-NEPJUHHUSA-N	250.317	1.858	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1CCn2cnnc2C1	840914640	VXFXCNFEQTWAKX-UHFFFAOYSA-N	271.368	1.668	10	20	CDCD	
O=C(c1c(F)ccc(O)c1O)N1CCC[C@@H](F)C1	846661953	HZADFGLDZDQKFE-SSDOTTSWSA-N	257.236	1.811	10	20	CDCD	
C[C@H]1C[C@H](N)CCN1Cc1cc2c(cc1O)OCO2	846699514	UCJNJBZCZOAQCY-GXSJLCMTSA-N	264.325	1.433	10	20	CDCD	
O=C(NCCCSc1nccs1)N1CCNCC1	841857908	RDTKSOYWWUIGCS-UHFFFAOYSA-N	286.426	1.240	10	20	CDCD	
C[C@@H]1CN(Cc2ccc(N(C)C)c(F)c2)C[C@H]1N	843120451	KVZGPWYSBNKGJL-ZWNOBZJWSA-N	251.349	1.671	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CCO[C@H]([C@@H](C)N)C2)c1O	843355822	KAIJUPWUNOOGLS-OTYXRUKQSA-N	296.342	1.282	10	20	CDCD	
Oc1c(Br)cccc1CN[C@H]1CCNC1	841045604	YLKGAONROCRVPQ-VIFPVBQESA-N	271.158	1.606	10	20	CDCD	
COC[C@@]1(CNCc2cccc(F)c2O)CCCN1	841067957	RJGGLETXWGQCQE-AWEZNQCLSA-N	268.332	1.390	10	20	CDCD	
Cc1ccc(C(=O)N[C@@]2(C)CCO[C@H]2C)c(O)c1O	753069098	XOOZZEAHHQGWDG-XPTSAGLGSA-N	265.309	1.704	10	20	CDCD	
CS(=O)(=O)N[C@@H]1CCCC[C@H]1NCc1ccccc1O	858252493	JAOGMZBIBVTGKX-CHWSQXEVSA-N	298.408	1.342	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NC[C@@H]2CCCN(C)C2)c1	858283240	ZZVUEQDTZCZHQS-ZDUSSCGKSA-N	291.395	1.842	10	20	CDCD	
OCCCNCc1cc(Br)ccc1O	67697318	NEXJKZDSMVYCNI-UHFFFAOYSA-N	260.131	1.627	10	20	CDCD	
C[C@@H](NC(=O)NC[C@@H]1COCCO1)c1ccccc1O	868118647	WQXFNELNGBDPGP-GHMZBOCLSA-N	280.324	1.168	10	20	CDCD	
OC1CCN(c2ccc(CN3CCCOCC3)cc2)CC1	876618273	OZPVXLGBJBAYNK-UHFFFAOYSA-N	290.407	1.870	10	20	CDCD	
Cc1cccc(O)c1CNC[C@H]1CC(=O)N(C2CC2)C1	877613335	FMVLDLPMIUBCHY-GFCCVEGCSA-N	274.364	1.801	10	20	CDCD	
CC(C)CNC(=O)[C@H](C)OC(=O)c1cccc(O)c1O	776281283	BACDSMQRIKGNLJ-VIFPVBQESA-N	281.308	1.415	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N[C@H]1CCC[C@@H]1O	871113430	UXJUASHFQFHABA-MGVUPCTHSA-N	263.293	1.141	10	20	CDCD	
COc1ccc(N2CCC(NCCN3CCC3)CC2)cc1	773090863	FZERIUQXYSQVOI-UHFFFAOYSA-N	289.423	1.959	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1(C)CCOCC1	773762793	KNAJQBDODJFUJR-LLVKDONJSA-N	293.363	1.962	10	20	CDCD	
CC(=O)NC(C)(C)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	773740908	QJJPNENRFZNCRF-VIFPVBQESA-N	294.351	1.060	10	20	CDCD	
O=C(O)C1(NCc2c(O)ccc(Cl)c2F)CC1	789897386	HYTLZEJFMZYRHJ-UHFFFAOYSA-N	259.664	1.892	10	20	CDCD	
C[C@@H](NCc1nncn1C)c1c(O)cccc1F	886501293	DYCIBNQLFZOSNR-MRVPVSSYSA-N	250.277	1.511	10	20	CDCD	
O=C(COC(=O)C1CCOCC1)c1ccc(O)c(O)c1	782507348	MIKZRDGEIILLJO-UHFFFAOYSA-N	280.276	1.250	10	20	CDCD	
COc1cc(C)cc(CN2CCc3n[nH]cc3C2)c1O	895390325	WQZZXTFAWFLBCY-UHFFFAOYSA-N	273.336	1.991	10	20	CDCD	
CNCCCNC(=O)N[C@H](C)c1ccccc1O	891962503	LMQFILZSVWGDOM-SNVBAGLBSA-N	251.330	1.362	10	20	CDCD	
COc1cc(C)cc(CN[C@@H]2CCC[C@@H]2CO)c1O	894932850	NLWJCDFUSKVZLA-DGCLKSJQSA-N	265.353	1.960	10	20	CDCD	
OC[C@H]1CCCN(Cc2cc(F)cc(F)c2O)C1	893863326	FTUZYNVOTIASNO-VIFPVBQESA-N	257.280	1.875	10	20	CDCD	
CN1CCN(c2ccc(CNc3nnco3)cc2)CC1	795795620	JALKWPYYYQSPAY-UHFFFAOYSA-N	273.340	1.434	10	20	CDCD	
COc1ccc(CNc2cc(OC)ncn2)c(O)c1	795285533	QXBCZUZIKKVHBP-UHFFFAOYSA-N	261.281	1.812	10	20	CDCD	
Nc1ccc(CNC(=O)[C@H]2CCn3ccnc3C2)cc1	1342698339	DBMDNCKLHRNAPE-LBPRGKRZSA-N	270.336	1.344	10	20	CDCD	
CC(C)CNCC(=O)NCCCSc1nccs1	1326302206	DNFQZMWZAOHVOV-UHFFFAOYSA-N	287.454	1.987	10	20	CDCD	
Cc1cccc(CNC2(CO)CCOCC2)c1O	224812820	LTAOIZLROJVXOJ-UHFFFAOYSA-N	251.326	1.332	10	20	CDCD	
CC[C@H](NCc1ccc(OC)c(C)c1)C(=O)NC	697859324	QVUQJYUJMJTHNK-LBPRGKRZSA-N	250.342	1.618	10	20	CDCD	
COc1cccc(CNC(=O)CCc2nccn2C)c1O	1348140152	MIUBARBANBQILH-UHFFFAOYSA-N	289.335	1.383	10	20	CDCD	
O=C(NCc1cccc(O)c1O)c1cc2n(n1)CCCO2	1528771640	SBYUJLVQNGBINZ-UHFFFAOYSA-N	289.291	1.007	10	20	CDCD	
O=C(O)c1cnc(SCc2ncccn2)s1	1602534975	RCLBMPAPEUBCLP-UHFFFAOYSA-N	253.308	1.924	10	20	CDCD	
CO[C@@H]1CC[C@@H](C(=O)NCc2cccc(O)c2O)C1	1548791502	FYXLDJXENDYDOH-MWLCHTKSSA-N	265.309	1.529	10	20	CDCD	
CCc1cccc(CN2C[C@H]3[C@@H](C2)[C@@H]3C(=O)O)c1O	1597587328	XBQKTOSQGSJRHA-ITGUQSILSA-N	261.321	1.717	10	20	CDCD	
CN(C)c1ccc(CNc2nnccc2-c2nn[nH]n2)cc1	1591032211	CZPXULLIFKCIKI-UHFFFAOYSA-N	296.338	1.335	10	20	CDCD	
CCN(CC)c1ccc(CNC[C@@H](OC)C(=O)O)cc1	1776860986	ZUTRERFHKCMACR-CQSZACIVSA-N	280.368	1.722	10	20	CDCD	
CCO[C@@H]1CCCN(C(=O)Cc2ccc(N)cc2)C1	42408135	WDTSUPTUFQTSRA-CQSZACIVSA-N	262.353	1.839	10	20	CDCD	
CCOc1cccc(CN2CC[C@@](C)(CN)C2)c1O	311889798	DBAWCXHRWYJRSN-HNNXBMFYSA-N	264.369	1.962	10	20	CDCD	
C[C@@H](NC[C@@]1(O)CCN(C)C1)c1cc(F)ccc1O	702652938	NRBAWTWARJNHQE-YGRLFVJLSA-N	268.332	1.249	10	20	CDCD	
C[C@H](N[C@H]1CCCN(C)C1=O)c1cc(F)ccc1O	704357536	QYRWXTPQPCAGAQ-CABZTGNLSA-N	266.316	1.803	10	20	CDCD	
CN1CC[C@H]1CNCc1ccc(N2CCOCC2)cc1	712547821	JKTUUVMYOKUORH-INIZCTEOSA-N	275.396	1.317	10	20	CDCD	
CCn1cc(C(=O)NCc2cc(OC)ccc2O)cn1	114541811	PYCCFGSWBBHEKW-UHFFFAOYSA-N	275.308	1.547	10	20	CDCD	
CCOc1cccc(CN[C@H](C)CN2CCCC2=O)c1O	37782217	LVEUYSGDGCNBOX-GFCCVEGCSA-N	292.379	1.891	10	20	CDCD	
c1cc(N2CCOCC2)ccc1CNC[C@H]1COCCO1	37997919	GQYVOOYMVGZOKA-INIZCTEOSA-N	292.379	1.028	10	20	CDCD	
COc1ccc(O)c(CN2CCO[C@H]([C@@H]3CCCO3)C2)c1	180707249	VFODKLMUQSGBOI-HOTGVXAUSA-N	293.363	1.781	10	20	CDCD	
C[C@@H](c1nnnn1C)N1CCOc2cc(N(C)C)ccc21	189785408	ZUMDILHZKAFPLD-JTQLQIEISA-N	288.355	1.236	10	20	CDCD	
COCCOC[C@@H]1CCN(Cc2cc(OC)ccc2O)C1	180526085	FSCOZWCDCMRCLJ-CYBMUJFWSA-N	295.379	1.886	10	20	CDCD	
CC[C@H](O)CCNC(=O)/C=C/c1ccc(O)c(O)c1	181210580	OSJBWSPQCBVWJC-MALLOTDXSA-N	265.309	1.388	10	20	CDCD	
CCOc1cccc(CN(C)CC2(O)CCOCC2)c1O	188832147	WQJAPKMPLKEVJD-UHFFFAOYSA-N	295.379	1.764	10	20	CDCD	
CNC(=O)CN(C)Cc1cccc(Br)c1O	132593786	MHDJDUSUJXGKBY-UHFFFAOYSA-N	287.157	1.333	10	20	CDCD	
COCCCNC(=O)CN(C)c1ccc(OC)cc1OC	131856721	UEXBQORASNYLKH-UHFFFAOYSA-N	296.367	1.293	10	20	CDCD	
CC(=O)NCC(=O)NCc1ccc(N2CCCC2)cc1	194582551	IKSWWDIQKAEZDL-UHFFFAOYSA-N	275.352	1.039	10	20	CDCD	
COC[C@@H](CCO)N[C@@H](C)c1ccc(C)cc1O	230663334	NXMKQKPNDFBWNO-NWDGAFQWSA-N	253.342	1.749	10	20	CDCD	
COc1cccc(CNC(=O)Cc2cc(C)on2)c1O	269206690	UIOGLCQDODSJFS-UHFFFAOYSA-N	276.292	1.556	10	20	CDCD	
CCOc1ccc(O)c([C@H]2NC(=O)[C@@H]3CSCCN23)c1	270815691	QVAKDRYTNWTNNO-AAEUAGOBSA-N	294.376	1.337	10	20	CDCD	
COC[C@H](NCc1cc(OC)ccc1O)[C@H]1CCCO1	279377749	IOVXOPOKPMTJDT-DZGCQCFKSA-N	281.352	1.684	10	20	CDCD	
COc1cccc(CNC(=O)C[C@@](C)(O)C2CC2)c1O	270265112	UWXGYLMENBTHTJ-OAHLLOKOSA-N	279.336	1.568	10	20	CDCD	
CC(=O)CSCC(=O)NCCc1ccc(O)c(O)c1	279772734	GDPPJPZLCQUNMM-UHFFFAOYSA-N	283.349	1.079	10	20	CDCD	
CCOc1cccc(CNCc2cc(C(N)=O)no2)c1O	273386247	ITILBTANYDHZDB-UHFFFAOYSA-N	291.307	1.168	10	20	CDCD	
COC(=O)[C@@H]1CN(Cc2cc(OC)ccc2O)C[C@H]1C	280277395	NCDPHMCIHMIZQE-ZWNOBZJWSA-N	279.336	1.642	10	20	CDCD	
O=C([C@@H]1CCN(Cc2ccccc2O)C1)N1CCCC1	377861499	RRCCDQSRESOPFN-CQSZACIVSA-N	274.364	1.837	10	20	CDCD	
Oc1cccc2c1[C@@H](NC[C@H](O)CN1CCCC1)CC2	296077922	SJRDIZNQLCOWMO-KBPBESRZSA-N	276.380	1.426	10	20	CDCD	
CO[C@@H](C)CS(=O)(=O)Nc1ccc(O)cc1C(C)=O	800839327	DNHCSYAEVIQUKP-QMMMGPOBSA-N	287.337	1.371	10	20	CDCD	
O=C(CCCNC(=O)c1c(F)ccc(O)c1O)NC1CC1	294716238	ANQHGNIBLVLHHC-UHFFFAOYSA-N	296.298	1.026	10	20	CDCD	
CC(C)[C@H](O)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	291600808	FHDMFWHBKLYXTB-ZANVPECISA-N	267.325	1.162	10	20	CDCD	
O=C(O)[C@@H]1CCCN1Cc1cc2c(cc1O)OCO2	821508652	CWINFAKWLUEBOA-VIFPVBQESA-N	265.265	1.170	10	20	CDCD	
COc1cccc(CNC(=O)N[C@@H]2CO[C@@H](C)C2)c1O	828427672	POXMBCTYKWZPDM-ONGXEEELSA-N	280.324	1.377	10	20	CDCD	
CCCN(CC(=O)NCCC(=O)O)Cc1ccccc1O	737008097	ULIQTAZAHWRXHT-UHFFFAOYSA-N	294.351	1.195	10	20	CDCD	
COc1cccc(CNC(=O)Cc2nnc(C)s2)c1O	830540998	QSFYZFGGYSLTQH-UHFFFAOYSA-N	293.348	1.420	10	20	CDCD	
COC[C@@H](NCc1ccc(N(C)C)c(F)c1)C(=O)O	901479091	SMUYTZSFUKZKIP-LLVKDONJSA-N	270.304	1.081	10	20	CDCD	
N[C@H]1C[C@H](NCc2cccc(Br)c2O)C1	906508750	YGNZKMFSTIJDRR-KYZUINATSA-N	271.158	1.734	10	20	CDCD	
C[C@H](NC(=O)NCCc1ccc(N)cc1)[C@H]1CCCNC1	841929618	WRZGDNXDPKTZHL-JSGCOSHPSA-N	290.411	1.499	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NCc2ccon2)cc1F	747512114	KRFLXJBNQXIYBY-UHFFFAOYSA-N	292.314	1.879	10	20	CDCD	
Nc1ccc(NC(=O)C(=O)NC2CCCCC2)cc1	841000171	OULYXMFSZLAUIL-UHFFFAOYSA-N	261.325	1.656	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCCNC1	841943106	GDSYSRPGXUXVSE-CQSZACIVSA-N	290.411	1.646	10	20	CDCD	
CO[C@@H]1COC[C@H]1NCc1cc(C)c(C)cc1O	842751911	CADNPQJSBRLOQJ-TZMCWYRMSA-N	251.326	1.512	10	20	CDCD	
CCC(CC)(CO)C(=O)NCc1cccc(OC)c1O	847589854	ONLMREUFNXIUMT-UHFFFAOYSA-N	281.352	1.816	10	20	CDCD	
COCCONC(=O)NCc1cc(Cl)ccc1O	845158403	DDCUEHBBVMOOEZ-UHFFFAOYSA-N	274.704	1.423	10	20	CDCD	
COc1cc(C(=O)NCc2ccc(N(C)C)cc2)ncn1	929405250	OIRMKXKRGBSLNI-UHFFFAOYSA-N	286.335	1.481	10	20	CDCD	
CN(C)c1cc(F)c(CNC[C@H]2CCN2C)cc1F	922574882	RDYRMYRWMIOMKH-LLVKDONJSA-N	269.339	1.825	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)N[C@H](CO)CC2CC2)c1	756770265	VNAAYWAJVUGTDC-MFKMUULPSA-N	293.363	1.990	10	20	CDCD	
CC(=O)NC[C@H]1CCCCN1C(=O)Nc1ccc(N)cc1	859697787	MCOJCDSYLSJKFR-CQSZACIVSA-N	290.367	1.791	10	20	CDCD	
C[C@@H](NC(=O)CC1CCNCC1)c1ccccc1O	870988758	YWHWSLQNCSOOAY-LLVKDONJSA-N	262.353	1.959	10	20	CDCD	
O=C(NCc1ccc(N2CCCC2)cc1)c1cc(=O)cc[nH]1	930205909	PZYJFTMNIVYYQY-UHFFFAOYSA-N	297.358	1.905	10	20	CDCD	
C[C@@H](NC(=O)NOCC(F)F)c1ccccc1O	868563450	WJIDHKAERIRNNX-SSDOTTSWSA-N	260.240	1.949	10	20	CDCD	
CN(Cc1cc2c(cc1O)OC[C@@H]2O)CC(F)F	768450296	JLVLEFSRDZYJBU-JTQLQIEISA-N	259.252	1.515	10	20	CDCD	
CC(C)CN(C)S(=O)(=O)NCc1ccc(O)cc1O	867417170	NDHSFJZHQLXMIM-UHFFFAOYSA-N	288.369	1.020	10	20	CDCD	
COCCN(Cc1cc2c(cc1O)OC[C@@H]2O)CC(C)C	768441829	OGEBJBRGYOJRPV-HNNXBMFYSA-N	295.379	1.922	10	20	CDCD	
CCOc1ccc(CN2CCCC[C@@H]2C(=O)NC)c(O)c1	768346476	OKHKYCTZRDMRRK-CQSZACIVSA-N	292.379	1.891	10	20	CDCD	
O=C(N[C@H]1C[C@@H](C(=O)O)C1)N1Cc2cccc(O)c2C1	874416589	RYPFCKDILQBXRJ-AOOOYVTPSA-N	276.292	1.281	10	20	CDCD	
COC(=O)COc1ccc(N(C)Cc2cc(C)[nH]n2)cc1	1116554809	GCPBTYBNKLSONF-UHFFFAOYSA-N	289.335	1.906	10	20	CDCD	
CCN(C[C@H]1CCOC1)C(=O)/C=C\c1ccc(O)c(O)c1	779499547	NBWWLNCJKMZEFB-RYWCDNDXSA-N	291.347	1.996	10	20	CDCD	
C[C@H](NC(=O)N[C@H](C)CC(N)=O)c1ccc(N(C)C)cc1	776237530	BKIKDGDHJFKJBA-MNOVXSKESA-N	292.383	1.377	10	20	CDCD	
Cc1ccc(CN[C@H]2CCN(C(C)C)C2=O)c(O)c1	877046885	RHJWQIVBHVKZMD-ZDUSSCGKSA-N	262.353	1.800	10	20	CDCD	
COC(=O)c1ccc(S(=O)(=O)Nc2ccc(O)cc2)o1	776745280	VMFPVWTUYWBMNO-UHFFFAOYSA-N	297.288	1.573	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ncccn1	773747612	CACKKQXVLYBTPT-VIFPVBQESA-N	273.292	1.249	10	20	CDCD	
COC(=O)Cn1ncc(NCc2c(C)cccc2O)c1C	877488532	LHKVRMVDFJMFBQ-UHFFFAOYSA-N	289.335	1.991	10	20	CDCD	
CC[C@@H](NC(=O)NCc1ccc(N)cc1)[C@H](C)O	1120677315	NMOQNFZOJMRSLC-JOYOIKCWSA-N	251.330	1.227	10	20	CDCD	
COc1ccc(CNCCNC(=O)c2cc[nH]n2)cc1C	1123903986	HHHFRSOBLKTDFQ-UHFFFAOYSA-N	288.351	1.246	10	20	CDCD	
COc1cccc(O)c1CN1CCN(C(C)C)C(=O)C1	780791916	CYZOSABVGOMACX-UHFFFAOYSA-N	278.352	1.453	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@@H]2CO[C@@H](C)C2)c1	784443458	STIQTXIGYTXRQU-ONGXEEELSA-N	265.309	1.442	10	20	CDCD	
NC(=O)c1cc(CNCc2ccc3c(c2)CCCO3)on1	893552172	RCJDFJGEBHUWFQ-UHFFFAOYSA-N	287.319	1.388	10	20	CDCD	
CC1(C)OC[C@H](CNC(=O)NCc2ccccc2O)O1	783202439	KRJASWQBBQSREI-NSHDSACASA-N	280.324	1.343	10	20	CDCD	
COC(=O)[C@@H]1[C@H]2CN(Cc3cc(C)cc(OC)c3O)C[C@H]21	793646118	YWHRKCYOGHPJOU-IMRBUKKESA-N	291.347	1.560	10	20	CDCD	
Oc1c(F)cc(F)cc1CN1CC[C@H](n2cncn2)C1	1338264761	QLZNRQLALZSDJZ-NSHDSACASA-N	280.278	1.709	10	20	CDCD	
COc1cc(C)cc(CNCc2csnn2)c1O	1331581736	HDJXOFUZFRLFQV-UHFFFAOYSA-N	265.338	1.851	10	20	CDCD	
CCOCCOC1CN(C(=O)NCc2ccc(N)cc2)C1	1336290423	NKNCWVJWBXSSQF-UHFFFAOYSA-N	293.367	1.216	10	20	CDCD	
Nc1ccc(CNC(=O)N[C@H](CO)CC2CCC2)cc1	1335737029	KFDNHBUNMZFAGT-AWEZNQCLSA-N	277.368	1.619	10	20	CDCD	
COC[C@@H](NC(=O)NCc1ccc(N)cc1)C(C)C	1357243359	VFLIOFZCCBMDNW-CYBMUJFWSA-N	265.357	1.739	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N[C@H]1C[C@H](C(=O)O)C1	1601239224	VTTTXSAZGIPXFJ-QDMKSNQHSA-N	277.276	1.090	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)c2ccnc(C(=O)O)c2)c1	1607811338	IHRYFVRGNQAGQN-UHFFFAOYSA-N	286.287	1.724	10	20	CDCD	
O=C(O)CNCc1cc(Cl)cc(Br)c1O	708073486	POIHLPKDLVICFV-UHFFFAOYSA-N	294.532	1.982	10	20	CDCD	
Cc1ccc(-c2nn[nH]n2)c(NCc2c(O)cccc2O)n1	1592091747	ACDBGKTWHQVBJO-UHFFFAOYSA-N	298.306	1.593	10	20	CDCD	
CC[C@@H](CCO)N[C@@H](C)c1cccc(-c2nn[nH]n2)c1O	1590439964	VCCGFEISZXWQIZ-UWVGGRQHSA-N	291.355	1.384	10	20	CDCD	
CN1CC[C@H](CSc2ncc(C(=O)O)s2)C1=O	1598583204	AMLDPKUXCHOPEX-ZCFIWIBFSA-N	272.351	1.412	10	20	CDCD	
Nc1ccc(NC(=O)c2ccc(N3CCCC3)nn2)cc1	160438345	XLIMBFVQAMMUMA-UHFFFAOYSA-N	283.335	1.911	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NCCS(=O)(=O)C2CC2)c1	840885478	XAEJPBXZXRAVRI-SNVBAGLBSA-N	299.392	1.629	10	20	CDCD	
COCCC1(CNC(=O)Cc2ccc(N)cc2)CC1	234804008	JKBLCJGITSCPOF-UHFFFAOYSA-N	262.353	1.744	10	20	CDCD	
Nc1ccc(CC(=O)N(C[C@H]2CCOC2)C2CC2)cc1	37826356	DZPXOOHOFVECPF-CYBMUJFWSA-N	274.364	1.839	10	20	CDCD	
Cn1cnnc1CNCc1ccc(N2CCCC2)cc1	38007856	XQENIOSNBRMNCZ-UHFFFAOYSA-N	271.368	1.705	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CC2CCNCC2)cc1	40825937	MEZXWTIJYRXEPX-UHFFFAOYSA-N	275.396	1.759	10	20	CDCD	
CC[C@H](OC)C(=O)NCCc1ccc(O)c(O)c1	270538482	IWNYYKGJHPMIPI-LBPRGKRZSA-N	253.298	1.182	10	20	CDCD	
Cn1cncc1CCNCc1ccc2c(c1)CCO2	401763691	JXELCBRYCYUGEU-UHFFFAOYSA-N	257.337	1.687	10	20	CDCD	
CCNC(=O)[C@@H](C)NCc1cccc(CC)c1O	691481131	FWLBPUVMOGILGS-SNVBAGLBSA-N	250.342	1.569	10	20	CDCD	
CN(C)C(C)(C)CNCc1ccc(N2CCOCC2)cc1	20125979	VLBKQGKQZKKPQN-UHFFFAOYSA-N	291.439	1.953	10	20	CDCD	
O=C(NCCc1cccc(O)c1)c1cccc(O)c1O	187042839	UHOHIGUAVRNNSI-UHFFFAOYSA-N	273.288	1.776	10	20	CDCD	
CNC(=O)NCc1ccc(N2CCC(CO)CC2)cc1	48646267	ZFNGIPXFAWGQAJ-UHFFFAOYSA-N	277.368	1.324	10	20	CDCD	
CCCN(C)C[C@H]1CCN(C(=O)c2cccc(O)c2O)C1	193107785	CMILDOFPBYEWJC-GFCCVEGCSA-N	292.379	1.902	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)c2n[nH]nc2C)c1	194367605	PHSNCGDFSVEYHT-ZETCQYMHSA-N	276.296	1.318	10	20	CDCD	
COc1cccc(CNS(=O)(=O)CC2CCC2)c1O	92994963	PZMGONJPVGVREN-UHFFFAOYSA-N	285.365	1.620	10	20	CDCD	
Cc1ccc(C(=O)N2CC[C@@H]([C@H](C)O)C2)c(O)c1O	272954013	IRKVCCCWXVXYDK-VHSXEESVSA-N	265.309	1.249	10	20	CDCD	
C[C@H](NCC1(N2CCOCC2)CC1)c1ccccc1O	278458390	MHYSHAKMXIYCHV-ZDUSSCGKSA-N	276.380	1.908	10	20	CDCD	
C[C@@H](CO[C@@H]1CCOC1)NC(=O)c1cccc(O)c1O	279360110	SQLGIPOOYUUAIY-VHSXEESVSA-N	281.308	1.022	10	20	CDCD	
COc1cccc(CNC(=O)C2(C)COC2)c1O	273052403	JVRIZRGBZHMCSG-UHFFFAOYSA-N	251.282	1.054	10	20	CDCD	
COC(=O)C[C@@H]1COCCN1Cc1cc(F)ccc1O	377833426	DPQBICMILMCFQE-GFCCVEGCSA-N	283.299	1.295	10	20	CDCD	
Cn1cc([C@@H]2C[C@H]2C(=O)Nc2ccc(N)cc2)cn1	378181016	CULLYVJQYCSHPH-QWHCGFSZSA-N	256.309	1.745	10	20	CDCD	
COc1ccc(O)c(CN2CC(=O)NCC2(C)C)c1	282684396	IMRWWLMNMUBTTF-UHFFFAOYSA-N	264.325	1.111	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)[C@]1(N)CC1(F)F	632823389	ZJMQJGCVSBEDFJ-CYBMUJFWSA-N	297.305	1.215	10	20	CDCD	
CC(=O)C(=O)COC(=O)COc1ccc(F)cc1Cl	808490823	HHXPKFWEIDVKIZ-UHFFFAOYSA-N	288.658	1.559	10	20	CDCD	
Cc1cc(CN2CCSC[C@H]2CO)ccc1N(C)C	815078144	PHUVUSZYHXNWCQ-CQSZACIVSA-N	280.437	1.971	10	20	CDCD	
COC[C@@](C)(CC(=O)O)NCc1ccc(N(C)C)cc1	901793986	BUKSNZFPCMVEJH-OAHLLOKOSA-N	280.368	1.722	10	20	CDCD	
COc1cccc(CNC(=O)[C@@H]2C[C@H]3CC(=O)[C@@H]2C3)c1O	837483467	AOLVVJTWRKCIKM-MVWJERBFSA-N	289.331	1.632	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@H]2C[C@@H]2C(=O)O)cc1F	737377345	LIFQDPMXFXNJMD-ZJUUUORDSA-N	280.299	1.229	10	20	CDCD	
CN(C)C(=O)NC1CCN(C(=O)c2cc(O)cs2)CC1	908792790	XDXWNEPYCBZBFP-UHFFFAOYSA-N	297.380	1.330	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@H](C)CC(=O)O	832888152	FCTLCOWIZPKJJD-LLVKDONJSA-N	278.352	1.788	10	20	CDCD	
COc1ccc(O)c(CN[C@H]2CCC[C@H](N)C2)c1	841056776	DXGIUEWLUHBSFM-RYUDHWBXSA-N	250.342	1.760	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)NCCNC1CC1	841928783	BNCTVQIPDLWCIH-UHFFFAOYSA-N	263.341	1.286	10	20	CDCD	
C[C@](O)(CNC(=O)c1cc(O)cs1)c1ccco1	743655128	VHKSRGLVIGXFPT-LBPRGKRZSA-N	267.306	1.684	10	20	CDCD	
Cc1cc(O)c(CN2CC[C@@H](O)[C@@H](CO)C2)cc1C	840974882	JAGLFJHEMQUCME-ZIAGYGMSSA-N	265.353	1.184	10	20	CDCD	
CC[S@](=O)CCN[C@H](C)c1cccc(OC)c1O	846148190	XQCFLJQXFVXPCM-MGNBDDOMSA-N	271.382	1.820	10	20	CDCD	
Nc1ccc(CC(=O)N2CCNC[C@H]2c2ccccc2)cc1	841857736	WPDMOMRELNADAM-KRWDZBQOSA-N	295.386	1.984	10	20	CDCD	
COCC1(CNCc2cccc(F)c2O)CCNCC1	841067798	FBWBPDKNLITGOY-UHFFFAOYSA-N	282.359	1.637	10	20	CDCD	
COc1ccc(CNC(=O)NCc2ccccc2O)cn1	748463188	MGANFPZBOQGUIT-UHFFFAOYSA-N	287.319	1.795	10	20	CDCD	
CCc1cccc(CN2CCN(CCOC)C(=O)C2)c1O	848901248	QEYVGBUHHDTEQM-UHFFFAOYSA-N	292.379	1.245	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNCC(C)(C)N)c1O	841030371	GKWUOAUKARMGQU-UHFFFAOYSA-N	269.301	1.136	10	20	CDCD	
C[C@H](CNCc1ccc(N(C)C)c(F)c1)S(C)(=O)=O	754086339	XDFOGIWNHWBLFW-SNVBAGLBSA-N	288.388	1.414	10	20	CDCD	
O=C(O)[C@]1(C(=O)NCc2ccccc2O)C[C@H]2CC[C@H]1C2	852943615	WTGWMACCFMRROC-KNHMANMVSA-N	289.331	1.899	10	20	CDCD	
CN(C)C(=O)CNCc1cc(F)c(N(C)C)cc1F	858087230	BGGUTCHRQYWQQO-UHFFFAOYSA-N	271.311	1.209	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)N[C@@H](C)c2ncnn2C)c1	858386587	RUXCIYGLAGKPSX-JTQLQIEISA-N	289.339	1.390	10	20	CDCD	
Cc1ccc(C(=O)N[C@@]2(C)CCO[C@@H]2C)c(O)c1O	753069097	XOOZZEAHHQGWDG-OTYXRUKQSA-N	265.309	1.704	10	20	CDCD	
COc1ccc(CNC(=O)CCNC(C)(C)C)c(O)c1	935770639	IUUYKKGMKRSVTM-UHFFFAOYSA-N	280.368	1.795	10	20	CDCD	
CO[C@@H]1CCN(Cc2cc3c(cc2O)OC[C@@H]3O)C1	768464734	SWWZERAQXNWLFI-MFKMUULPSA-N	265.309	1.039	10	20	CDCD	
CN(C)c1cc(F)c(CN2C[C@@H]3CNC[C@@H]3C2)cc1F	862253161	LQISFTGACUQTIF-TXEJJXNPSA-N	281.350	1.682	10	20	CDCD	
CCOC1CC(C(=O)NCCc2ccc(N)cc2)C1	876528401	WZWUQVWCQRPCNJ-UHFFFAOYSA-N	262.353	1.743	10	20	CDCD	
OCCn1ccc(NCc2c(O)cccc2Cl)n1	763459315	JNQHWDAJXOQFQH-UHFFFAOYSA-N	267.716	1.847	10	20	CDCD	
CCOc1ccc(O)c(CN2C[C@H]3CNC[C@@H]3C2)c1	770394718	LGTZSHMVQHDSPZ-CHWSQXEVSA-N	262.353	1.442	10	20	CDCD	
C[C@H](NC(=O)N[C@H]1C[C@@H](C(=O)O)C1)c1ccccc1O	874416199	DIXNCGFFXACTON-LPEHRKFASA-N	278.308	1.616	10	20	CDCD	
COc1cc(O)c(CN2C[C@@H](C)N(C)C[C@@H]2C)cc1OC	775985537	MURKAWZMANLBFC-NEPJUHHUSA-N	294.395	1.934	10	20	CDCD	
COc1ccc(O)c(CN(CCCO)C2CC2)c1	775701338	KOZRILDQOFJCNM-UHFFFAOYSA-N	251.326	1.748	10	20	CDCD	
COc1ccc(CN[C@@H](C)CO)cc1Cn1cccn1	873063230	OAZKNBJPFBJXQZ-LBPRGKRZSA-N	275.352	1.410	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN(CCCO)C2CC2)c1O	774887316	KRBUKMCVQSFICW-UHFFFAOYSA-N	296.323	1.656	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)c1ccc2nc[nH]c2n1	770551623	DXUDPQGGPAGBES-UHFFFAOYSA-N	282.303	1.936	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN[C@H](C)CS(C)(=O)=O	775396433	WQYSDNWCEADKQI-GFCCVEGCSA-N	284.425	1.584	10	20	CDCD	
COC(=O)[C@@H]1CCN(C(=O)c2cccc(O)c2O)[C@H](C)C1	886367915	UFYALQXDAAFVJQ-NXEZZACHSA-N	293.319	1.512	10	20	CDCD	
CCN1C[C@@H](C)N(C(=O)c2ccc(C)c(O)c2O)C[C@@H]1C	781001862	QMVMLMUJYBWVGH-NWDGAFQWSA-N	292.379	1.961	10	20	CDCD	
COc1cc(C)cc(CN[C@@H](CO)C[C@H]2CCCO2)c1O	895747406	HLNZUOTZHRMZEX-ZIAGYGMSSA-N	295.379	1.729	10	20	CDCD	
Oc1c(F)cc(F)cc1CN1CCn2ncnc2C1	894481940	BAWUDSICBILGTA-UHFFFAOYSA-N	266.251	1.278	10	20	CDCD	
CN(CCN1CCOCC1)Cc1cc(F)cc(F)c1O	893994615	AHEGWKQMQMUTCY-UHFFFAOYSA-N	286.322	1.434	10	20	CDCD	
COc1ccc(CN[C@@H]2CCCN(C)C2=O)cc1C	704343258	SWVAXEUDWZGQTQ-CYBMUJFWSA-N	262.353	1.714	10	20	CDCD	
C[C@@H](C(=O)NCc1ccc(O)c(O)c1)n1cccc1	1320025094	PLERMHFCSGYQQQ-JTQLQIEISA-N	260.293	1.777	10	20	CDCD	
CN(C)c1ccc(CN2CCO[C@](C)(C(=O)O)C2)cc1	711536050	OXPWOYUSIROGJW-HNNXBMFYSA-N	278.352	1.428	10	20	CDCD	
CN(CCN1CCOC1=O)Cc1ccccc1O	732203274	UQVMXADEBJOPPH-UHFFFAOYSA-N	250.298	1.276	10	20	CDCD	
COC[C@@H](O)CCN[C@@H](C)c1ccc(N(C)C)cc1	90951390	VDRWVQGYZDQDRN-WFASDCNBSA-N	266.385	1.801	10	20	CDCD	
Cc1cc(CNC(=O)c2cccc(O)c2O)ncn1	790903799	BEBCESBJAHDCOB-UHFFFAOYSA-N	259.265	1.126	10	20	CDCD	
CC(C)C[C@@H]1C(=O)NCCN1Cc1ccc(N)cc1	1336286251	QBEMESUSCZCKSG-CQSZACIVSA-N	261.369	1.615	10	20	CDCD	
NC(=O)CC[C@@H]1CCCN(Cc2ccc(N)cc2)C1	1262487360	RMEKOSFDFFNERJ-LBPRGKRZSA-N	261.369	1.746	10	20	CDCD	
Cc1ccc(O)c(CN2CC[C@](F)(C(=O)O)C2)c1	1600465241	UPAPLIINFHFYJN-CYBMUJFWSA-N	253.273	1.699	10	20	CDCD	
Cc1ccc(C(=O)N2CC[C@@H](C)C[C@H]2C(=O)O)c(O)c1O	1600331812	DWHRJEAUIVZUJF-KCJUWKMLSA-N	293.319	1.732	10	20	CDCD	
O=C1NC(=S)S/C1=C/c1ccoc1C(=O)O	1602656108	KQKHHYTWRGSCHQ-HWKANZROSA-N	255.276	1.467	10	20	CDCD	
CN1CC[C@H](Sc2ncc(C(=O)O)s2)C1=O	1610135112	WVJCVZRERVFWGE-YFKPBYRVSA-N	258.324	1.164	10	20	CDCD	
CNCCC(=O)N(C)Cc1ccc(N2CCCC2)cc1	1573895215	GHDZJZVBUUPDCJ-UHFFFAOYSA-N	275.396	1.855	10	20	CDCD	
COc1ccc(CNC(=O)C2(F)CCNCC2)c(O)c1	1579213102	CWMVFTCKLJZPDU-UHFFFAOYSA-N	282.315	1.109	10	20	CDCD	
CC(C)c1ccc(O)c(CN[C@H](CO)Cc2cnn[nH]2)c1	1575454199	LFXBAXKFAKUIEG-AWEZNQCLSA-N	290.367	1.327	10	20	CDCD	
COc1ccc(CNC(=O)N[C@H]2C[C@@H](C(=O)O)C2)c(O)c1	1599569307	BVYISZNVVUSBTK-AOOOYVTPSA-N	294.307	1.063	10	20	CDCD	
Cn1nccc1[C@@H](NCc1ccc(F)c(F)c1O)C(=O)O	1594595497	OWFRAOWMJOHVOT-LLVKDONJSA-N	297.261	1.319	10	20	CDCD	
COC[C@@H](C)NCc1ccc(N2CCC(O)CC2)c(F)c1	151549899	RUTIQLGYBNLNCG-GFCCVEGCSA-N	296.386	1.911	10	20	CDCD	
CCc1cccc(CN[C@H](C)c2ncnn2C)c1O	848905627	KNWOBLGGGAYXEP-SNVBAGLBSA-N	260.341	1.934	10	20	CDCD	
C[C@@H](NC(=O)[C@@H](C)n1cncn1)c1ccccc1O	827922945	FFKGIKRYNUPVNR-NXEZZACHSA-N	260.297	1.422	10	20	CDCD	
Oc1ccc(Cl)cc1CNC[C@H]1CN2CCC[C@@H]2CO1	112839337	GIANITUMOFASPP-KGLIPLIRSA-N	296.798	1.998	10	20	CDCD	
CCOc1cccc(CNCCN2CCSCC2)c1O	226246355	HXUGPAPWEBILJG-UHFFFAOYSA-N	296.436	1.929	10	20	CDCD	
CCC[C@@](C)(NC(=O)c1cccc(O)c1O)C(=O)OC	126732428	JAHHAABMQFIXAD-CQSZACIVSA-N	281.308	1.559	10	20	CDCD	
Cc1nc(CCN[C@H]2CCc3cccc(O)c32)n[nH]1	296469895	OIBPCWFCEKMCOO-NSHDSACASA-N	258.325	1.638	10	20	CDCD	
COc1ccc(O)c(CN2CC[C@@H]3NCC[C@H]3C2)c1	311856400	JTKAENINWNAOGU-FZMZJTMJSA-N	262.353	1.585	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@H](N)CC(F)F)cc1	382465260	ZPYSAWYPMNKDII-NSHDSACASA-N	271.311	1.351	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)CCn2cncn2)c1	103530116	PCHMDIDSRWCFBJ-SNVBAGLBSA-N	290.323	1.260	10	20	CDCD	
COC[C@@H]1CN(Cc2cc(OC)c(C)cc2O)CCO1	179444990	XWXOGLCRPMQCFP-ZDUSSCGKSA-N	281.352	1.556	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2cn(C)nc2C)c1	114543841	CSMQNMFZEJOQRZ-UHFFFAOYSA-N	275.308	1.373	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@@H]2CCCOC2)c1	114543498	SMYWRCWYCICZFB-SNVBAGLBSA-N	265.309	1.444	10	20	CDCD	
Oc1ccc(F)cc1CN1CCN(c2cnccn2)CC1	179935888	RJSZJWUEHCMTTD-UHFFFAOYSA-N	288.326	1.644	10	20	CDCD	
O=S(=O)(CCC(F)(F)F)NCc1ccccc1O	284476517	YSIWXPNMOULWHH-UHFFFAOYSA-N	283.271	1.764	10	20	CDCD	
NC(=O)Nc1cccc(NC(=O)Cc2ccc(N)cc2)c1	37041044	LDULVHCCEZUUCA-UHFFFAOYSA-N	284.319	1.941	10	20	CDCD	
COc1cccc(CNC[C@@H]2CC[C@H](O)C2)c1O	188803090	KBZISXDMIGMWOM-PWSUYJOCSA-N	251.326	1.651	10	20	CDCD	
CC(C)OCCCC(=O)NCCc1ccc(O)c(O)c1	183645795	IWUUPALRRFLVGW-UHFFFAOYSA-N	281.352	1.962	10	20	CDCD	
CC1(C)CN(C(=O)/C=C/c2ccc(O)c(O)c2)CCO1	180649820	GMOQBHBEAGTWFF-GQCTYLIASA-N	277.320	1.748	10	20	CDCD	
COc1cc(N(C)CC(=O)N(C)C)cc(OC)c1OC	125768986	QQPSRTAFBUEFFV-UHFFFAOYSA-N	282.340	1.237	10	20	CDCD	
CC[C@H](COC)NCc1cc([N+](=O)[O-])ccc1O	120210597	DTFFFILCTBVHMK-SNVBAGLBSA-N	254.286	1.815	10	20	CDCD	
C[C@@H](Sc1nccs1)C(=O)NC[C@@H]1CCCO1	48874456	WMWBVFMFZZYTMW-BDAKNGLRSA-N	272.395	1.919	10	20	CDCD	
COc1ccc(O)c(CN2CC[C@]3(CCNC3)C2)c1	382171771	JWCONTIIDRVWLL-HNNXBMFYSA-N	262.353	1.586	10	20	CDCD	
O=C(O)CN(Cc1ccccc1O)C[C@@H]1CCCO1	238124790	VTRRQWNFKAPJEH-LBPRGKRZSA-N	265.309	1.458	10	20	CDCD	
Cn1ccnc1[C@@H]1CCN(C(=O)c2cccc(O)c2O)C1	366013631	OULHDFORUZESLJ-SNVBAGLBSA-N	287.319	1.461	10	20	CDCD	
CCOC(=O)CCCNC(=O)c1c(F)ccc(O)c1O	276515952	FORZNCHYNLHLOA-UHFFFAOYSA-N	285.271	1.310	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCCN1C	274915921	JZSNTHGDRKXIFY-JQWIXIFHSA-N	278.352	1.239	10	20	CDCD	
COC[C@@H](CCO)N[C@H](C)c1cc(C(=O)OC)ccc1O	273371111	CLZIQNNOSNZIRP-ZYHUDNBSSA-N	297.351	1.227	10	20	CDCD	
OC[C@H]1CN(Cc2ccccc2O)CCC1(F)F	291351930	XJJNDWORWUKBJK-LLVKDONJSA-N	257.280	1.842	10	20	CDCD	
CCN1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)[C@H](C)C1	804381487	OPDCBJXEZLQYLS-HOSRBBHYSA-N	290.363	1.664	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)NCC(C)(C)N)c1	817959944	IBEVZPDGMJYLLT-VIFPVBQESA-N	266.341	1.567	10	20	CDCD	
CC[C@H](NCCCN1CCNCC1)c1ccccc1O	817937615	YKVRHLGOYHCMNK-HNNXBMFYSA-N	277.412	1.728	10	20	CDCD	
NC(=O)CC1(CNCc2cc(Cl)c(F)cc2O)CC1	817410295	AENHSRCEBKFGHP-UHFFFAOYSA-N	286.734	1.930	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNCc1cnn(C)n1	815124777	KRSUGDVXKBUFPB-UHFFFAOYSA-N	259.357	1.479	10	20	CDCD	
Cn1cc(/C=C\C(=O)N2C[C@H](CO)Cc3ccccc32)cn1	816782627	BXJNKGGTYPWHAF-LMVHVUTASA-N	297.358	1.631	10	20	CDCD	
C[C@H]1CN(Cc2ccc3ccccc3c2O)CC(=O)N1	824909037	HUPORUDJZPXTAR-NSHDSACASA-N	270.332	1.866	10	20	CDCD	
COc1cccc(CNC(=O)[C@@H]2[C@H]3CCC(=O)[C@@H]32)c1O	907061662	WOIQXRFXZLLDKO-ZWKOPEQDSA-N	275.304	1.242	10	20	CDCD	
CCC(=O)N1CC[C@H](C(=O)N[C@H](C)c2ccccc2O)C1	827941524	SYUBVNVFTCAXTL-NEPJUHHUSA-N	290.363	1.828	10	20	CDCD	
CC[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)[C@H](C)O	836862975	PESYLTUVNFBIKA-YJNDWQGISA-N	265.309	1.387	10	20	CDCD	
C[C@H](CC[S@](C)=O)NC(=O)c1cc(O)cs1	748373621	YVMYCSMQDCDEIC-QZTNRIJFSA-N	261.368	1.341	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2C[C@H](C)N[C@H](C)C2)c1O	843352076	RAQBLZGUUMBRSV-AOOOYVTPSA-N	280.343	1.916	10	20	CDCD	
O=C(CSc1nccs1)NCCCN1CCCC1=O	916094010	FGCIABVNUOZBGV-UHFFFAOYSA-N	299.421	1.364	10	20	CDCD	
COC[C@H](C)NC(=N)NCc1ccc(OC)cc1O	849024819	BBDRIVYAZLRCER-VIFPVBQESA-N	267.329	1.050	10	20	CDCD	
C[C@@H](CC(=O)O)C(=O)NCc1ccc2cccnc2c1O	911701228	SDWRJZVILCDNAX-VIFPVBQESA-N	288.303	1.667	10	20	CDCD	
Cn1ncc(C2CC2)c1/C=C1/SC(=S)NC1=O	849240012	BKDRNYNJDDQMLJ-RUDMXATFSA-N	265.363	1.786	10	20	CDCD	
COc1ccc(O)c(CNC(=O)N[C@H](C)[C@H]2CCOC2)c1	745821262	XJTPLPZZIPKFKF-MNOVXSKESA-N	294.351	1.625	10	20	CDCD	
Cn1cnc(CNC(=O)NCc2cc(Cl)ccc2O)n1	845086188	UPGIIWXHPIDOHJ-UHFFFAOYSA-N	295.730	1.174	10	20	CDCD	
COc1ccc(N(C)CCN(C)C(=O)[C@H](C)[C@H](C)N)cc1	846695741	AEDBDZFAALQCJN-OLZOCXBDSA-N	293.411	1.573	10	20	CDCD	
C[C@H](NCC1(CO)CC1)c1cc([N+](=O)[O-])ccc1O	756638533	SKOKBKGENYOLNC-VIFPVBQESA-N	266.297	1.724	10	20	CDCD	
COc1cc(CN(C)C[C@H]2COCCO2)c(O)cc1C	853557527	LPOGDRWXBLGAFV-ZDUSSCGKSA-N	281.352	1.556	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)c2ncnn2C)cc1	853798708	SGBIEOCKTLGLSH-UHFFFAOYSA-N	287.367	1.591	10	20	CDCD	
CCN1CC[C@@H](NC(=O)NCc2cc(C)ccc2O)C1=O	858431467	BXSPOPYGLFMZEF-GFCCVEGCSA-N	291.351	1.121	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@H](C)C[C@H](C)O)c1	757659048	XJTZLKSJLAHCLL-VWYCJHECSA-N	281.352	1.989	10	20	CDCD	
CCC[C@@](C)(O)C(=O)NCc1cc(C)ccc1O	862758419	YJMIZLQUDGIQCF-CQSZACIVSA-N	251.326	1.868	10	20	CDCD	
CN(Cc1nc[nH]n1)Cc1c(O)cccc1Br	862246194	BVZYYPNSSKNRAB-UHFFFAOYSA-N	297.156	1.905	10	20	CDCD	
OC[C@@H](CNCc1ccccc1O)Cc1ccco1	768840499	DNAVKDZYPGVMLT-GFCCVEGCSA-N	261.321	1.926	10	20	CDCD	
c1cc(N2CCOCC2)ccc1CN1C[C@H]2C[C@H]2C1	862441234	PUMGYSCQSIXYDP-GASCZTMLSA-N	258.365	1.975	10	20	CDCD	
CC[C@@H](N[C@@H]1COCC[C@H]1O)c1ccc(C)cc1O	866497636	OCANOKBVDFDXFE-MGPQQGTHSA-N	265.353	1.891	10	20	CDCD	
CCCn1cc(/C=C2\SC(=S)N(CC)C2=O)nn1	865212510	LZLLFVRPWHGMNV-TWGQIWQCSA-N	282.394	1.909	10	20	CDCD	
COC(=O)c1ccc(CNCc2ccccc2O)n1C	873035803	OXYDXOZEDAKFAM-UHFFFAOYSA-N	274.320	1.807	10	20	CDCD	
CCN(C)c1ccc(CN2C[C@@H](CO)[C@@H](CO)C2)cc1	879695149	GYVDNVTYZNANHY-GASCZTMLSA-N	278.396	1.175	10	20	CDCD	
Oc1c(F)cc(Cl)cc1CN1C[C@@H]2CNC[C@@H]2C1	775748378	XHRVWKVBXLHBIO-AOOOYVTPSA-N	270.735	1.836	10	20	CDCD	
Cc1cc(NS(=O)(=O)N2CC[C@H](C)C2)ccc1O	777939981	JQFQTPVWAQCYTN-VIFPVBQESA-N	270.354	1.699	10	20	CDCD	
CC[C@@H]1C(=O)N(CC)CCN1C(=O)c1cc(O)cs1	779506455	VFGDXLLXLRKTBV-SNVBAGLBSA-N	282.365	1.537	10	20	CDCD	
CO[C@@H]1CCN(Cc2ccc(N3CCN(C)CC3)cc2)C1	775702304	OJEGQYLCBRFBPT-QGZVFWFLSA-N	289.423	1.659	10	20	CDCD	
C[C@H](CNCc1cc(F)cc(F)c1O)N1CCN(C)CC1	882984433	HSSQOIADSPEJOK-LLVKDONJSA-N	299.365	1.396	10	20	CDCD	
C[C@H](N[C@H](CO)C1CCOCC1)c1c(O)cccc1F	886588435	RGVIDFMYDKJHEQ-GXFFZTMASA-N	283.343	1.969	10	20	CDCD	
COCC[C@@](C)(O)CN[C@@H](C)c1c(O)cccc1F	886528867	SLXHPMCDXCZZGF-IINYFYTJSA-N	271.332	1.969	10	20	CDCD	
COc1cc(O)c(CN[C@H](C)c2ncnn2C)cc1OC	789588659	KASCZOLEQRTMAA-SECBINFHSA-N	292.339	1.389	10	20	CDCD	
COc1ccc(CN2CCOC[C@H]2C)c(O)c1OC	891696431	QADBKBIBKATCRY-SNVBAGLBSA-N	267.325	1.630	10	20	CDCD	
COC[C@@H](NCc1cc(C)c(C)cc1O)C(=O)OC	789571738	ABIPIEZILQOTAD-GFCCVEGCSA-N	267.325	1.287	10	20	CDCD	
CN(C)c1ccc(CNC[C@@H](O)C(F)(F)F)cc1F	790999811	JODQOAAKBQPTLQ-LLVKDONJSA-N	280.265	1.905	10	20	CDCD	
C[C@H](NC(=O)[C@H]1CCCC(=O)N1)c1ccc(N(C)C)cc1	799722634	RGLSLPOZGDMASX-SMDDNHRTSA-N	289.379	1.599	10	20	CDCD	
CCN(CC)c1ccc(CNCC(=O)N(C)C)cc1	37207311	AVZWOOMRMZPHJH-UHFFFAOYSA-N	263.385	1.711	10	20	CDCD	
NC(=O)C[C@H]1CCN(Cc2cc(F)cc(F)c2O)C1	708444576	SBAPPXHAHXOEQJ-MRVPVSSYSA-N	270.279	1.368	10	20	CDCD	
CN(Cc1ccccc1O)c1nnnn1C1(C)CCC1	1334513162	HTLSBDOSBSYHJV-UHFFFAOYSA-N	273.340	1.914	10	20	CDCD	
C[C@@H](NC[C@@H]1CCS(=O)(=O)C1)c1cc(F)ccc1O	94617780	LWHQWTDZQCJYOM-ZJUUUORDSA-N	287.356	1.617	10	20	CDCD	
Nc1ccc(CN2CCC[C@@H](CN3CCOCC3)C2)cc1	1337838127	HSBXHDZNHIUCKU-INIZCTEOSA-N	289.423	1.813	10	20	CDCD	
CC[C@H](O)[C@H](C)C(=O)NCc1cccc(O)c1O	1350299908	KPPALHKXKFLWIW-WPRPVWTQSA-N	253.298	1.121	10	20	CDCD	
Cc1ccc(C(=O)N[C@](C)(C(=O)O)C2CC2)c(O)c1O	1600335477	NEORJUYEJOOCAU-AWEZNQCLSA-N	279.292	1.389	10	20	CDCD	
CN1CCN(Cc2cccc(Cl)c2O)C[C@@H](C(=O)O)C1	1606244944	ULWXLGJGCAZUGM-NSHDSACASA-N	298.770	1.494	10	20	CDCD	
C[C@@H](CC(=O)O)NC(=O)/C=C/c1ccc(O)c(O)c1	1603124882	XVQVTFOYOHYTNS-WGAJWPLOSA-N	265.265	1.090	10	20	CDCD	
CC1(C)CNCC[C@H](NC(=O)c2cc(O)cs2)C1	1576478863	RGJYYQCZTFCHDN-VIFPVBQESA-N	268.382	1.962	10	20	CDCD	
CN1CCCc2cc(CNC(=O)[C@H]3C[C@H]4CC[C@@H]3N4)ccc21	1578530188	BAVODEJKJCXINA-PMPSAXMXSA-N	299.418	1.826	10	20	CDCD	
CCn1cnc(CNCc2ccc(C(=O)O)cc2O)c1	1777013007	AKFVHCPSPDPTRG-UHFFFAOYSA-N	275.308	1.597	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NCCn1ccnc1	204527175	NAJHBCJKTHTLPV-DUXPYHPUSA-N	273.292	1.124	10	20	CDCD	
CCNC(=O)[C@@H](C)NCc1cccc(OCC)c1O	36795070	WYUNUHDSUWAGKY-SNVBAGLBSA-N	266.341	1.405	10	20	CDCD	
COC[C@H](O)CCN[C@H](C)c1cc(OC)ccc1O	186202688	XCCADAVDHANGON-GHMZBOCLSA-N	269.341	1.449	10	20	CDCD	
CC[C@H](N[C@@H](C)CC(=O)NC)c1ccccc1O	323032893	MSXRYVBJQAFVHM-JQWIXIFHSA-N	250.342	1.958	10	20	CDCD	
CNC(=O)C[C@@H](C)NCc1cccc(Cl)c1O	323066257	VGMFKIWEDLIGNX-MRVPVSSYSA-N	256.733	1.660	10	20	CDCD	
CC[C@@H](NCc1cc(F)cc(F)c1O)C(=O)NC	708496600	MJZZLJVDMXPTRA-SNVBAGLBSA-N	258.268	1.285	10	20	CDCD	
COC(=O)N(C)CCN[C@@H](C)c1ccccc1O	689527653	XORMSSCBWDULOR-JTQLQIEISA-N	252.314	1.741	10	20	CDCD	
Oc1cccc(Cl)c1CNCCCn1cncn1	382035598	SUXNHACTEMQCEV-UHFFFAOYSA-N	266.732	1.817	10	20	CDCD	
Cc1cccc(CNCC2CC3(C2)OCCO3)c1O	896911390	DAMKKESADPEXEL-UHFFFAOYSA-N	263.337	1.943	10	20	CDCD	
CN(C)c1ccc(CN[C@@H](CO)C[C@H]2CCCO2)cc1	886231910	NEPJTBPZMCSOHH-GDBMZVCRSA-N	278.396	1.772	10	20	CDCD	
CC[C@H](C)[C@@H](O)CNC(=O)c1ccc(C)c(O)c1O	179546344	CSYJEYKCQVOAEL-KWQFWETISA-N	267.325	1.543	10	20	CDCD	
CC[C@@](C)(O)CNC(=O)NCc1ccc(N(C)C)cc1	171164854	DTUOFQONZJGEKM-OAHLLOKOSA-N	279.384	1.713	10	20	CDCD	
COc1ccc(N(C)CC(=O)N(C)C2CC2)cc1OC	64517145	QKYRLNZHEWOUQF-UHFFFAOYSA-N	278.352	1.761	10	20	CDCD	
CC(C)n1cc(/C=C2/SC(=S)NC2=O)cn1	171981020	YMGCYSNROZBNJD-FPYGCLRLSA-N	253.352	1.953	10	20	CDCD	
COC(=O)[C@H]1[C@@H](O)CCCN1Cc1cc(C)ccc1O	188789020	GICGTMUPZKBUHE-UONOGXRCSA-N	279.336	1.199	10	20	CDCD	
CC[C@@H](CSC)NC(=O)c1cccc(O)c1O	126555301	HTGXMYJMVJOZFN-QMMMGPOBSA-N	255.339	1.969	10	20	CDCD	
CNC(=O)CN1CCC(NCc2cc(C)ccc2O)CC1	71407494	DUKQDGTUJUHGRW-UHFFFAOYSA-N	291.395	1.001	10	20	CDCD	
CN(C)CCCNC(=O)/C=C/c1ccc(O)c(O)c1	139415133	PJNZRQVNEZWSBB-FNORWQNLSA-N	264.325	1.179	10	20	CDCD	
COc1ccc(N(C)CC(=O)NC[C@@H]2CCCO2)cc1F	131428500	DYSZBQQHKZPAAP-LBPRGKRZSA-N	296.342	1.566	10	20	CDCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@H]2N[C@@H]1COC[C@H]1O	323161644	JENYJBAVVXDNEL-SBFPOUOMSA-N	263.337	1.598	10	20	CDCD	
Nc1ccc(CC(=O)NCCCOC[C@H]2CCCO2)cc1	40826247	IRCGEOJOIBTLOO-OAHLLOKOSA-N	292.379	1.513	10	20	CDCD	
CSc1ccc(NC=C2C(=O)NC(=S)NC2=O)cc1	48403289	NQEQKHARQAWJJP-UHFFFAOYSA-N	293.373	1.235	10	20	CDCD	
CCNC(=O)N1CCN(Cc2cc(F)ccc2O)CC1	179891731	QZTBBOUHCZQPST-UHFFFAOYSA-N	281.331	1.378	10	20	CDCD	
Cc1cc(C(=O)NC[C@H](C)CN)c(C)n1-c1ccccn1	237573932	ZIGPNVVBSXTINF-LLVKDONJSA-N	286.379	1.814	10	20	CDCD	
COc1ccc(N2CCC(NC(=O)C(C)(C)N)CC2)cc1	237279223	BUANFIGGWXUHAV-UHFFFAOYSA-N	291.395	1.518	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NC[C@H](O)C2CC2)cc1F	264255017	ZISXZQOXVSYSGI-AWEZNQCLSA-N	295.358	1.462	10	20	CDCD	
CCNC(=O)CCCC(=O)NCc1ccccc1O	264223607	KONJIGOKGWFTJA-UHFFFAOYSA-N	264.325	1.315	10	20	CDCD	
C[C@H](CNC(=O)c1c(F)ccc(O)c1O)CN1CCCC1	276642410	VBXWWDXSRZOPGE-SNVBAGLBSA-N	296.342	1.699	10	20	CDCD	
CCC1(C(=O)NCc2ccc(O)c(O)c2)CCOCC1	272406712	ZQZJZOAHUNLMKW-UHFFFAOYSA-N	279.336	1.921	10	20	CDCD	
O=C(N[C@H]1CCCc2cn[nH]c21)c1cccc(O)c1O	279687647	BHMXAIPZJMSAJZ-JTQLQIEISA-N	273.292	1.628	10	20	CDCD	
COc1ccc(O)c(CN2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)c1	364972804	LMVKYLSWDGQPGL-VZJVUDMVSA-N	290.363	1.487	10	20	CDCD	
COc1cc(O)c(CNC[C@@]2(O)CCO[C@H]2C)cc1OC	279426868	NUQHWTBVRMFIIR-BONVTDFDSA-N	297.351	1.039	10	20	CDCD	
COC(=O)N[C@@H](C)C(=O)N(C)Cc1ccc(N(C)C)cc1	270524776	SJRTWWMUDODIKO-NSHDSACASA-N	293.367	1.456	10	20	CDCD	
COC[C@@H](O)CCN[C@@H](C)c1cc([N+](=O)[O-])ccc1O	273477744	LCOOTICTOZYJJG-ONGXEEELSA-N	284.312	1.348	10	20	CDCD	
CCCOc1ccc([C@H]2NC(=O)CN2C)c(O)c1	298766119	BLGPABDDCJZDOA-ZDUSSCGKSA-N	250.298	1.241	10	20	CDCD	
CC(=O)C(=O)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1	808021164	BTVWKSSNGAXRGG-UHFFFAOYSA-N	274.236	1.011	10	20	CDCD	
C[C@H]1CN(C(=O)CSc2nccs2)C[C@H](C)O1	298501260	IVQWJJCCZMSSER-IUCAKERBSA-N	272.395	1.871	10	20	CDCD	
COCCCCNC(=O)N(C)Cc1ccccc1O	298689709	WGDPAZTZRJJHHY-UHFFFAOYSA-N	266.341	1.960	10	20	CDCD	
COC(=O)C(C)(C)C(=O)COC(=O)c1cccc(O)c1O	803440770	RSRFGJDUHZHTJZ-UHFFFAOYSA-N	296.275	1.023	10	20	CDCD	
C[C@H](NC[C@@H]1CCCN1)c1cc([N+](=O)[O-])ccc1O	817952912	WMLKBMPAQBQWQY-UWVGGRQHSA-N	265.313	1.703	10	20	CDCD	
CC1=C(C(=O)Nc2ccc(N)cc2)[C@H](C)n2ncnc2N1C	818556364	OLRWIPWRBHIPEE-JTQLQIEISA-N	298.350	1.784	10	20	CDCD	
OC[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)C1CC1	734160498	CQZSXSNDUIQCIT-OAHLLOKOSA-N	294.370	1.523	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2cnc(OC)nc2)c1	734015686	WOZXSEKPROOUNL-UHFFFAOYSA-N	289.291	1.129	10	20	CDCD	
COc1cc(CN2CC[C@H](C3OCCO3)C2)c(O)cc1C	905695517	HLJUWBMVGDJCLL-LBPRGKRZSA-N	293.363	1.904	10	20	CDCD	
CCO[C@@H](CC)C(=O)NCc1ccc(O)cc1O	910951714	MCEDVPQMHXLFAH-LBPRGKRZSA-N	253.298	1.529	10	20	CDCD	
O=C(COC(=O)c1ccncc1)c1ccc(O)c(O)c1	916589458	OLDKKTBIGLAFSV-UHFFFAOYSA-N	273.244	1.533	10	20	CDCD	
CC(C)C[C@@H](O)CNC(=O)NCCc1ccc(N)cc1	841953576	APYXGGZSFZIYEJ-CQSZACIVSA-N	279.384	1.518	10	20	CDCD	
CC1(CCNC(=O)C(=O)Nc2ccc(N)cc2)CC1	841124880	VOHNLAVDUPMWJY-UHFFFAOYSA-N	261.325	1.514	10	20	CDCD	
O=C(/C=C\[C@H]1CCOC1)NCc1ccc(O)cc1O	910945444	WMOXMQHWKVJXRI-GZXOQBQISA-N	263.293	1.307	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@@H](CN)C2CC2)c1	841946108	GHLRDBBVKGOFSM-ZANVPECISA-N	293.367	1.498	10	20	CDCD	
CC(C)(N)CNCc1cc(Cl)cc([N+](=O)[O-])c1O	841029890	CNCONFPPUCXEEY-UHFFFAOYSA-N	273.720	1.781	10	20	CDCD	
CCNCCCNC(=O)N[C@@H](C)c1cc(OC)ccc1O	841917420	MWIRISRMTWWPTP-NSHDSACASA-N	295.383	1.761	10	20	CDCD	
COC[C@@H](CN(C)c1ccc(OCC(=O)O)cc1)OC	849344374	KIDPSDICFOKPGF-CYBMUJFWSA-N	283.324	1.248	10	20	CDCD	
CCOc1ccc(CN(C)C2CC(N)C2)c(O)c1	843125374	UIGVUJURMALZII-UHFFFAOYSA-N	250.342	1.712	10	20	CDCD	
CN(Cc1csnn1)c1ccc(OCC(=O)O)cc1	846280263	WGQNPAILUDQYBJ-UHFFFAOYSA-N	279.321	1.638	10	20	CDCD	
N[C@H]1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)C1	841709469	GWDQAPBNPNLECD-AWEZNQCLSA-N	288.395	1.529	10	20	CDCD	
COC[C@@](C)(O)CN[C@@H](C)c1cc(C(=O)OC)ccc1O	756578881	XJHKVDBYIGOJRC-BONVTDFDSA-N	297.351	1.227	10	20	CDCD	
COc1cccc(CNC(=O)c2ccnnc2C)c1O	753659701	ZMNXOFYOMQNONO-UHFFFAOYSA-N	273.292	1.429	10	20	CDCD	
C[C@H](NC(=O)c1c(F)ccc(O)c1O)C1(CO)CC1	857311270	RDJKKZZZTSCKQZ-ZETCQYMHSA-N	269.272	1.128	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@@H](C)[C@H]2CCC(=O)N2)c1	862755249	PSRDHGTYHOFCAB-CMPLNLGQSA-N	276.336	1.232	10	20	CDCD	
CN(CC(N)=O)Cc1cc(-c2ccccc2)ccc1O	768242704	BPKCWMDTJBKSDZ-UHFFFAOYSA-N	270.332	1.976	10	20	CDCD	
Cc1ccc(CN[C@@H]2C[C@@H]3CCCCN3C2=O)c(O)c1	877578421	CJLFWYKJYPEBIS-UONOGXRCSA-N	274.364	1.944	10	20	CDCD	
Cc1ccc(CNC[C@@H](C)CN2CCN(C)CC2)c(O)c1	877015888	FFYTYADOOBBATN-OAHLLOKOSA-N	291.439	1.674	10	20	CDCD	
C[C@]1(NCc2ccc(N3CCC(O)CC3)cc2)CCOC1	877121661	YNULYTKBILBGFP-KRWDZBQOSA-N	290.407	1.916	10	20	CDCD	
O=C(N[C@@H]1CC12CCC2)c1c(F)ccc(O)c1O	881464641	GZDOOGREFVMQGN-SECBINFHSA-N	251.257	1.909	10	20	CDCD	
C[C@H]1CO[C@H](CO)CN1Cc1ccc(N(C)C)c(F)c1	770352539	OWVVWOCOQJAGHR-AAEUAGOBSA-N	282.359	1.473	10	20	CDCD	
CO[C@]1(C(=O)N(C)c2ccc(N)cc2)CCSC1	884441626	MIWVMJCBMVBBCJ-CYBMUJFWSA-N	266.366	1.754	10	20	CDCD	
CC[C@H](C(=O)N(C)Cc1ccccc1O)[C@@H](C)O	789988100	ACJJRYNPWMJAHJ-PWSUYJOCSA-N	251.326	1.758	10	20	CDCD	
CCOc1ccc(CN[C@@H](C(=O)OC)C2CC2)c(O)c1	789574616	ZMDPMPNDGQMJRZ-CQSZACIVSA-N	279.336	1.832	10	20	CDCD	
COc1cc(C)cc(CNC[C@@H]2CCS(=O)(=O)C2)c1O	894166573	YJUZLHQFOYQKOB-NSHDSACASA-N	299.392	1.234	10	20	CDCD	
CC[C@@H]1C(=O)NCCCN1Cc1cccc(OC)c1O	898541100	FOHJDIBEMVCKLL-GFCCVEGCSA-N	278.352	1.501	10	20	CDCD	
COc1ccc(CNC(=O)N[C@H]2CCO[C@H](C)C2)c(O)c1	793032246	WIOQYYDHTAVIIV-PWSUYJOCSA-N	294.351	1.768	10	20	CDCD	
CC[C@@H](NC[C@H](O)CN(C)C)c1ccc(F)cc1O	796754284	JBSLMPVADXMKAL-WCQYABFASA-N	270.348	1.495	10	20	CDCD	
CCOCC1(C(=O)NCc2ccc(OC)cc2O)CC1	799732691	JQKABMOAFFKFAO-UHFFFAOYSA-N	279.336	1.834	10	20	CDCD	
O=C(NCc1ccccc1O)N[C@H]1CCSC1	75466460	RZVAZYAZJNEINA-JTQLQIEISA-N	252.339	1.697	10	20	CDCD	
CCc1cccc(CN2CC[C@@](C)(C(N)=O)C2)c1O	692128381	BVLBHFKQMMWSHX-OAHLLOKOSA-N	262.353	1.652	10	20	CDCD	
CSc1ccccc1C(=O)N1CCSC[C@@H]1CO	689299762	ARMABBGBCSBUKX-JTQLQIEISA-N	283.418	1.958	10	20	CDCD	
CC[C@H]1CN(C(=O)c2cccc(O)c2O)C[C@H](C)O1	193063048	QRWKVVRUYLIGCD-UWVGGRQHSA-N	265.309	1.737	10	20	CDCD	
C[C@H](NC(=O)C(=O)N1CC[C@@H]1C)c1ccc(N(C)C)cc1	1334307738	JANIZCVXVMZRFT-RYUDHWBXSA-N	289.379	1.551	10	20	CDCD	
O=C(c1cccc2c1CCN2)N1CCCc2n[nH]cc21	1341837318	JEEYYBRHERLREI-UHFFFAOYSA-N	268.320	1.971	10	20	CDCD	
COc1ccc(O)c(CN[C@]2(CC(=O)O)CCCOC2)c1	1607277726	QIDTTZIYNDPRGW-HNNXBMFYSA-N	295.335	1.514	10	20	CDCD	
O=C(O)/C=C/c1ccc(N2CCO[C@@H]3C[C@@H]32)c([N+](=O)[O-])c1	1608660768	AUKCPZPXMOLQCO-YLGNMVSYSA-N	290.275	1.670	10	20	CDCD	
CC[C@@H]1C[C@@H](C(=O)NCc2cccc(O)c2O)CC(=O)N1	1548791589	BTQDKVAMHMNMRS-GHMZBOCLSA-N	292.335	1.019	10	20	CDCD	
CCCN(CC(=O)O)Cc1ccc(OC)c(OC)c1O	1595856272	XEMSIDDWCKQYEO-UHFFFAOYSA-N	283.324	1.706	10	20	CDCD	
COCCN(CCOC)Cc1ccc(N(C)C)c(F)c1	158195597	KVADNDFUISAULL-UHFFFAOYSA-N	284.375	1.987	10	20	CDCD	
CCCS(=O)(=O)NCc1cccc(OC)c1O	151302492	VIHZGFSOWLAZNJ-UHFFFAOYSA-N	259.327	1.230	10	20	CDCD	
CN(Cc1cc(F)ccc1O)C[C@H]1COCCO1	827139980	FQWLBTDHQSRGLN-LBPRGKRZSA-N	255.289	1.379	10	20	CDCD	
CN(C)c1ccc(CNCCC(F)(F)C(=O)O)cc1	1777040061	ZFMBESROLKLYBS-UHFFFAOYSA-N	272.295	1.952	10	20	CDCD	
CNC(=O)[C@@]1(C)CCN(Cc2cc(F)ccc2O)C1	228099376	JSEGDQPVJBTMIB-AWEZNQCLSA-N	266.316	1.489	10	20	CDCD	
CCN1CCC(NC(=O)c2cccc(O)c2O)CC1	280047718	KHWBJTCRIKKMEV-UHFFFAOYSA-N	264.325	1.312	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NCc2ncnn2C)c1	182393661	MDXVBERDKWBTMO-SECBINFHSA-N	262.313	1.380	10	20	CDCD	
Oc1ccc(Cl)cc1CN1CCN([C@@H]2CCNC2)CC1	312416412	SMJHOJIEKQKFQA-CQSZACIVSA-N	295.814	1.525	10	20	CDCD	
CCOCCNC(=O)N[C@H](C)c1cc(OC)ccc1O	103511488	DETJHYZYYWYGLC-SNVBAGLBSA-N	282.340	1.798	10	20	CDCD	
C[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)[C@@H]1CO	189432264	JYBZZJLPNIWSJS-ZIAVJRNFSA-N	277.320	1.340	10	20	CDCD	
CCCN(Cc1ccccc1O)[C@@H](C)C(=O)NC(N)=O	157072121	HJMUKPZGTPFVSG-JTQLQIEISA-N	279.340	1.188	10	20	CDCD	
COc1cccc(CNC(=O)c2cc[nH]c(=O)c2)c1O	131293461	PQUQHXBCVANJIT-UHFFFAOYSA-N	274.276	1.019	10	20	CDCD	
Cc1ccc(C(=O)N(C)C[C@@H]2CCC[C@@H]2O)c(O)c1O	182904223	WSXIGBRQVAXNMM-JQWIXIFHSA-N	279.336	1.639	10	20	CDCD	
CS[C@@H](C)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	186393285	JOLGAXJFAWJZFT-BDAKNGLRSA-N	269.366	1.897	10	20	CDCD	
O=[N+]([O-])c1cc(Cl)cc(CN2CC[C@H](CO)C2)c1O	92763582	ORKOFWYFCFTVJP-QMMMGPOBSA-N	286.715	1.768	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)[C@@H]1CCNC1	236732804	YABHITFBHPCIMW-GFCCVEGCSA-N	262.353	1.740	10	20	CDCD	
Cc1ccc(O)c([C@H](C)NCCCNS(C)(=O)=O)c1	184921002	GQNBZROOVIHHQM-NSHDSACASA-N	286.397	1.291	10	20	CDCD	
CC(=O)NCCCN[C@@H](C)c1cc(F)ccc1O	184922040	PGUMQULXHPIIIK-VIFPVBQESA-N	254.305	1.708	10	20	CDCD	
C[C@H](CCCCO)NCc1cc([N+](=O)[O-])ccc1O	272428694	NCONONBPPJNXDZ-SNVBAGLBSA-N	268.313	1.941	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC[C@@H](O)C2CCOCC2)c1	273345870	ASRWQOFVKKZRRN-MEDUHNTESA-N	295.379	1.839	10	20	CDCD	
COC[C@H](NCc1ccccc1O)[C@@H]1CCCO1	278555229	BVRWNMUNRTZABO-JSGCOSHPSA-N	251.326	1.676	10	20	CDCD	
OC[C@@H](CNCc1ccc2c(c1)CCO2)[C@@H]1CCOC1	280216199	GAWWQDKCPOSIQQ-HUUCEWRRSA-N	277.364	1.356	10	20	CDCD	
COCC[C@@H](CO)N[C@H](C)c1cc(F)ccc1O	281598992	MANQKYPXSJEWQQ-KOLCDFICSA-N	257.305	1.579	10	20	CDCD	
COC(=O)[C@H](NCc1cc(Cl)c(F)cc1O)[C@@H](C)O	294834350	YRQWMFYAOOXFMZ-KSBSHMNSSA-N	291.706	1.197	10	20	CDCD	
COc1cc(O)c(CNC[C@H](OC)C2CC2)cc1OC	293562536	GFFLQHDSCQVCHH-HNNXBMFYSA-N	281.352	1.924	10	20	CDCD	
CCOC(=O)[C@H]1NCC[C@H]1NCc1ccc2c(c1)CCO2	817902818	YPSYGLDCYOZKNQ-HIFRSBDPSA-N	290.363	1.005	10	20	CDCD	
COc1ccc(C(=O)NCc2cccc(OC)c2O)cn1	729859246	KYERHJVPHRHDFG-UHFFFAOYSA-N	288.303	1.734	10	20	CDCD	
COC(=O)CN(C)Cc1ccc(Br)cc1O	824567719	UVQIIKSSTSKPTO-UHFFFAOYSA-N	288.141	1.760	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)c1cc2n(n1)CCCC2=O	906991720	OKVHVWHMDFDXSA-UHFFFAOYSA-N	299.330	1.837	10	20	CDCD	
COc1ccc(CNC(=O)C[C@@H]2CCNC2)c(O)c1	832178436	RYBBBGTYFFNMRM-JTQLQIEISA-N	264.325	1.017	10	20	CDCD	
Nc1ccc(CCNC(=O)CCc2ccncn2)cc1	832658695	ANMNSXQQFNKPDN-UHFFFAOYSA-N	270.336	1.350	10	20	CDCD	
CN1CCC[C@H](CCNC(=O)c2cc(O)cs2)C1	839800251	VPBIITVPPOPMEI-SNVBAGLBSA-N	268.382	1.915	10	20	CDCD	
CC(C)OC(=O)[C@H](C)NC(=O)c1cc(O)cs1	839787622	QBOMOISNQCYDNW-ZETCQYMHSA-N	257.311	1.524	10	20	CDCD	
CC1(C(=O)NCc2ccc(O)cc2O)CCC(=O)CC1	910944537	NUUMTAMAIJXIBC-UHFFFAOYSA-N	277.320	1.863	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)C(C)(C)NC(=O)O	830860727	VTFWJPRWTQUFBE-UHFFFAOYSA-N	266.297	1.397	10	20	CDCD	
CN[C@H]1CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)C1	841761667	RCGYBTRTDDLKOH-LBPRGKRZSA-N	294.374	1.395	10	20	CDCD	
CN(CCCN)C(=O)NCCCSc1nccs1	841858038	SHGNXXBHHALOGD-UHFFFAOYSA-N	288.442	1.616	10	20	CDCD	
C[C@@H](CC[S@@](C)=O)NC(=O)c1cc(O)cs1	748373618	YVMYCSMQDCDEIC-HYORBCNSSA-N	261.368	1.341	10	20	CDCD	
C[C@]1(C(=O)NCc2ccc(O)cc2O)CCCCO1	910945764	YBSKKTXXCORQFF-CQSZACIVSA-N	265.309	1.673	10	20	CDCD	
C[C@@H]1CC[C@H](C(=O)O)N1Cc1cc2c(cc1O)OCO2	844932818	ABOXKAQQGNVFEB-PSASIEDQSA-N	279.292	1.558	10	20	CDCD	
O=C(O)CN(Cc1ccccc1O)C(=O)C1CCCC1	911484834	SMTGNEVNCYNTEG-UHFFFAOYSA-N	277.320	1.996	10	20	CDCD	
C[C@@H]1COC[C@@H]1NC(=O)NCc1ccccc1O	915525145	NUJCAVXAJSNWSD-KOLCDFICSA-N	250.298	1.226	10	20	CDCD	
C[C@H]1C[C@@H](NCc2ccc(N3CCN(C)CC3)cc2)CO1	842776739	ZMZAJQDMGUAEKW-GOEBONIOSA-N	289.423	1.705	10	20	CDCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NS(C)(=O)=O	841569645	MYPZLNWQKLXVQG-NSHDSACASA-N	270.398	1.541	10	20	CDCD	
CNCCCNCc1ccc(N2CCN(C)CC2)cc1	841041841	JLZWQKMAOHLTEW-UHFFFAOYSA-N	276.428	1.138	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC[C@]1(C)CCC(=O)N1	840952542	DRNDNBVYYJMHAX-INIZCTEOSA-N	275.396	1.819	10	20	CDCD	
COC[C@H]1C[C@@H](O)CN1Cc1cc(C)ccc1O	846053383	PRWQWEWZLVOLBC-CHWSQXEVSA-N	251.326	1.282	10	20	CDCD	
Cc1cc(CN2[C@H]3CC[C@H]2CNC3)ccc1N(C)C	923396288	CIGZNPWHZOZQFE-GJZGRUSLSA-N	259.397	1.997	10	20	CDCD	
CCOc1ccc(O)c(CN[C@@H]2CCS(=O)(=O)[C@@H]2C)c1	858281449	JWUCHYHXNXNYFP-ZWNOBZJWSA-N	299.392	1.456	10	20	CDCD	
CN(C)c1ccc(CNC(=O)C2(N(C)C)CC2)cc1	854271844	RXXDNMPZYHNQDI-UHFFFAOYSA-N	261.369	1.463	10	20	CDCD	
Cc1cc(C)c([C@H](C)NCCN2CC[C@H](O)C2)c(O)c1	858602061	PHQSUWQXUBPPBH-KBPBESRZSA-N	278.396	1.726	10	20	CDCD	
O=C(C[C@H]1CCOC1)NCc1ccc(O)c(O)c1	754665456	RWLBNEXRHGZPHW-SNVBAGLBSA-N	251.282	1.141	10	20	CDCD	
N[C@@]12CCC[C@H]1CN(Cc1cccc(F)c1O)C2	857226407	NDFLKVSOGLFNAK-SMDDNHRTSA-N	250.317	1.845	10	20	CDCD	
O=C(CCc1ccncn1)NCCc1ccc(O)c(O)c1	756861168	JHWRANGQJOEPBG-UHFFFAOYSA-N	287.319	1.179	10	20	CDCD	
CN(Cc1ccon1)Cc1cc2c(cc1O)OC[C@@H]2O	768448986	YXJLYOIQJUFQJZ-ZDUSSCGKSA-N	276.292	1.438	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)c2ncn(C(C)(C)C)n2)c1	862756387	WYNCZKLFMQJAME-UHFFFAOYSA-N	288.351	1.977	10	20	CDCD	
CCOc1ccc(CN2CC[C@@](F)(C(=O)OC)C2)c(O)c1	769564281	OORFSKUTRUHJFF-HNNXBMFYSA-N	297.326	1.878	10	20	CDCD	
COc1ccc(N(C)Cc2nc(O)n[nH]2)cc1OC	774582878	QJJNJLZGXLOGMK-UHFFFAOYSA-N	264.285	1.164	10	20	CDCD	
Cc1nnc([C@@H](C)NC(=O)/C=C\c2ccc(O)c(O)c2)o1	779532829	UAKZLHUGGHFFBQ-RZAAKKIOSA-N	289.291	1.680	10	20	CDCD	
CC[S@](=O)CCN[C@H](C)c1c(O)cccc1F	886526140	FVPBBUPIZSWRNA-XLFHBGCDSA-N	259.346	1.951	10	20	CDCD	
CCC(=O)N1CC[C@H](NCc2cc(F)cc(F)c2O)C1	883044879	GSHLHALTNCBHTL-NSHDSACASA-N	284.306	1.771	10	20	CDCD	
CCOc1ccc([C@@H]2NC(=O)CN2CC)c(O)c1	788688497	ASAQYJHBWYNNES-CYBMUJFWSA-N	250.298	1.241	10	20	CDCD	
CC(=O)N1C[C@@H]2CN(Cc3cc(C)ccc3O)C[C@@H]2C1	895577129	XQQOYZAYEMMKMU-GASCZTMLSA-N	274.364	1.611	10	20	CDCD	
COc1cc(C)cc(CN[C@@H](CO)[C@H]2CCCOC2)c1O	894993869	KYCUYIOFTVGFPK-JSGCOSHPSA-N	295.379	1.586	10	20	CDCD	
CCOC(=O)c1cnc(S[C@H](C)C(=O)O)s1	1591268922	NVVVPRPNKPOOMW-RXMQYKEDSA-N	261.324	1.885	10	20	CDCD	
COC(=O)[C@H]1CCC[C@@H]1NCc1c(O)cccc1OC	1321868623	SDUINWVGTLBBMX-JQWIXIFHSA-N	279.336	1.832	10	20	CDCD	
O=S1(=O)CCC[C@H]1CNCc1cc(F)cc(F)c1O	708558374	GCPRCBRVJOOVNB-JTQLQIEISA-N	291.319	1.337	10	20	CDCD	
CCO[C@@H]1COCC[C@H]1NCc1ccc2c(c1)CCO2	759171819	ASDCTSZDTGGGAE-GDBMZVCRSA-N	277.364	1.905	10	20	CDCD	
CCOC(=O)CCCNC(=O)Nc1ccc(N)cc1	81526913	KXNNLIBHLPZLQW-UHFFFAOYSA-N	265.313	1.734	10	20	CDCD	
CCN(Cc1ccc(OC)c(OC)c1O)[C@@H]1CCNC1=O	1334272840	YQFRGSOWHFIYSD-LLVKDONJSA-N	294.351	1.120	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)N[C@H]2CNOC2)cc1	1335399879	JVWWIRLPWJEWOC-ZDUSSCGKSA-N	292.383	1.235	10	20	CDCD	
CN(CCS(C)(=O)=O)Cc1ccc(N(C)C)c(F)c1	155160125	MHKBDJXVMCRQDR-UHFFFAOYSA-N	288.388	1.368	10	20	CDCD	
Cc1nnc(O)c(CNCc2cc(F)ccc2O)c1C	1341943729	FBEASDXUTYPVDO-UHFFFAOYSA-N	277.299	1.934	10	20	CDCD	
O=C(O)[C@@]1(F)CCN(Cc2cc(F)cc(F)c2O)C1	1601717155	QTPLUJZWXRNANG-GFCCVEGCSA-N	275.226	1.669	10	20	CDCD	
CCN(CC)c1ccc(CNC[C@H](O)CC(=O)O)cc1	1776860933	GSAPAMWHJISALZ-CQSZACIVSA-N	280.368	1.458	10	20	CDCD	
CC(=O)N1CC[C@@H](NCc2ccc3c(c2)CCO3)C1	152860852	GOJCTGFNMRTMIY-CQSZACIVSA-N	260.337	1.332	10	20	CDCD	
COc1cccc(O)c1CN1CC[C@]2(CCNC2)C1	843120496	NPSSIEHWXBATSO-HNNXBMFYSA-N	262.353	1.586	10	20	CDCD	
Oc1ccccc1CNC[C@H]1CN2CCC[C@@H]2CO1	112839400	KTEQJBKGUKNEFB-KGLIPLIRSA-N	262.353	1.345	10	20	CDCD	
C[C@H](NC[C@@H]1CN2CCC[C@H]2CO1)c1ccccc1O	252546041	KBGZFIYNAOOLAH-MELADBBJSA-N	276.380	1.906	10	20	CDCD	
COc1cc(N2CC[C@](C)(O)C2)c([N+](=O)[O-])cc1OC	234909066	ATERIQRLQVWXBH-ZDUSSCGKSA-N	282.296	1.573	10	20	CDCD	
CC[C@@H](C)NC(=O)CCNC(=O)Nc1ccc(N)cc1	45011778	VIHXGVJRMLMOKP-SNVBAGLBSA-N	278.356	1.695	10	20	CDCD	
CCOc1cccc(CN2CC[C@H](CC(N)=O)C2)c1O	367703410	JCIDIGONQFPCLL-LLVKDONJSA-N	278.352	1.488	10	20	CDCD	
CN(C[C@H]1CCC[C@@H]1O)C(=O)Cc1ccc(N)cc1	708339707	AEQNCHYKTUTCSO-OCCSQVGLSA-N	262.353	1.431	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)C2(O)CCCC2)c1	104901090	IYJWKDARTJSVCQ-SNVBAGLBSA-N	279.336	1.883	10	20	CDCD	
CN1CCC[C@@H]1C(=O)NCCCSc1nccs1	114375568	BMPLLNNVJAJSHA-SNVBAGLBSA-N	285.438	1.836	10	20	CDCD	
CNC(=O)CCCN(C)Cc1cccc(C)c1O	180505943	SCFCZHPRXFNONN-UHFFFAOYSA-N	250.342	1.659	10	20	CDCD	
Cc1ccc(C(=O)N(C)C[C@@H](O)C(F)(F)F)c(O)c1O	182985964	QSLQVLIXNIFEME-MRVPVSSYSA-N	293.241	1.401	10	20	CDCD	
CNC(=O)Cc1ccccc1NC(=O)Cc1ccc(N)cc1	315419608	IHBPBQFLBWVLQB-UHFFFAOYSA-N	297.358	1.739	10	20	CDCD	
C[C@H](N)[C@@H]1CN(Cc2c(O)cccc2Cl)CCO1	132625589	GMZRGJMKAGHYHO-ZANVPECISA-N	270.760	1.594	10	20	CDCD	
C[C@H](N)[C@H]1CN(Cc2cc(F)ccc2O)CCO1	220331092	JPVANDYIRPXECW-TVQRCGJNSA-N	254.305	1.079	10	20	CDCD	
CN(C)c1ccc(CNC[C@H]2CCCS(=O)(=O)C2)cc1	290113689	LIIXWMQVRCHTKR-CQSZACIVSA-N	296.436	1.667	10	20	CDCD	
CN(C)c1ccc(CN2CC(=O)N[C@@H]3CCCC[C@@H]32)cc1	92676420	XPRLFLPZDABIMV-CVEARBPZSA-N	287.407	1.996	10	20	CDCD	
Cc1cc(O)c(CN(C)[C@@H](C)CS(C)(=O)=O)cc1C	93384546	VDNSOZMYQBAFRI-LBPRGKRZSA-N	285.409	1.874	10	20	CDCD	
CN(C)c1ccc(CNC[C@@H](O)C2CC2)cc1F	265096342	PXZBHKGCWJMPPI-CQSZACIVSA-N	252.333	1.752	10	20	CDCD	
COc1cccc(CN(C)CCc2cnccn2)c1O	273761923	PHRHRFVBUZUHQP-UHFFFAOYSA-N	273.336	1.865	10	20	CDCD	
CC[C@@H](CO)N[C@H](C)c1cc(C(=O)OC)ccc1O	275712184	MJCYTCGXFHCQQG-KOLCDFICSA-N	267.325	1.600	10	20	CDCD	
CCO[C@@H]1C[C@@H](NC(=O)c2cccc(O)c2O)[C@H]1OC	280400165	GYFDPQUMNORHQQ-IRUJWGPZSA-N	281.308	1.020	10	20	CDCD	
O=[N+]([O-])c1ccc(O)c(CNC[C@@H](CO)[C@@H]2CCOC2)c1	280421487	ZGKCDNKTCWKULU-PWSUYJOCSA-N	296.323	1.035	10	20	CDCD	
CC(C)NS(=O)(=O)CCN[C@H]1CCc2cccc(O)c21	297150134	ZWWRUDKUHYXYRE-LBPRGKRZSA-N	298.408	1.297	10	20	CDCD	
C[C@@H](N[C@@H]1CCCN(CCCO)C1)c1ccccc1O	297346152	OUQLXCZNWANRJB-ZIAGYGMSSA-N	278.396	1.890	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@@H](C)CCCN)c1	817977379	JBNBVKFWWOPKQQ-QWRGUYRKSA-N	280.368	1.957	10	20	CDCD	
CCCN1C[C@H](CNCc2c(O)cccc2OC)CC1=O	817410941	KGRVIMGWMNUQST-LBPRGKRZSA-N	292.379	1.749	10	20	CDCD	
CSCCCN1C(=O)CN(Cc2ccccc2O)C1=O	819166606	ZAMIRBSEJPWBBO-UHFFFAOYSA-N	294.376	1.910	10	20	CDCD	
CCO[C@@H]1COC[C@H]1NCc1cc2c(cc1O)OCO2	825196753	OHJDZKVETGQGEJ-QMTHXVAHSA-N	281.308	1.014	10	20	CDCD	
O=C(O)[C@@H]1CCCCN1Cc1cccc(F)c1O	821510240	IDKBIFOIONMIQU-NSHDSACASA-N	253.273	1.970	10	20	CDCD	
COC1CN(Cc2ccc(N3CCN(C)CC3)cc2)C1	839131326	RZYWIDWBATYJTI-UHFFFAOYSA-N	275.396	1.269	10	20	CDCD	
CO[C@@H](c1cnn(C)c1)c1nc(Cc2ccc(N)cc2)no1	843161386	SVDWXVASRGBULF-AWEZNQCLSA-N	299.334	1.712	10	20	CDCD	
OC[C@@H](CCF)NCc1ccc(N2CCOCC2)cc1	846097189	NIMMNBNBXGFUBD-CQSZACIVSA-N	282.359	1.333	10	20	CDCD	
COc1cccc(CNC(=O)[C@@H]2CCC(=O)C2)c1O	843832033	KAJZYWZMWUJYEK-SECBINFHSA-N	263.293	1.386	10	20	CDCD	
Cc1cccc(CN[C@H](C(=O)O)c2ccnn2C)c1O	843038107	CTAMXOCYTDRRBO-LBPRGKRZSA-N	275.308	1.350	10	20	CDCD	
CCOc1ccc(CN[C@@H](CO)[C@H]2CCCOC2)c(O)c1	840962717	MYNILTUHVCGEPW-ZFWWWQNUSA-N	295.379	1.668	10	20	CDCD	
Cc1cccc(CN2CCCO[C@@H](CN)C2)c1O	841100170	FCHLDSWZNLHAIX-ZDUSSCGKSA-N	250.342	1.250	10	20	CDCD	
CC(C)[C@H](NC(=O)c1cc(O)cs1)C(=O)N1CCCC1	743594101	NNKDQKCZLAUDGO-LBPRGKRZSA-N	296.392	1.831	10	20	CDCD	
Cc1ccc(O)c(CN[C@@H](CO)[C@@H]2CCCOC2)c1	840964184	YPMCEIOSKCZTRX-OCCSQVGLSA-N	265.353	1.578	10	20	CDCD	
COC[C@]1(CO)CCN(Cc2ccc(N(C)C)cc2C)C1	840951941	OEEVUFDYLSICPK-QGZVFWFLSA-N	292.423	1.892	10	20	CDCD	
CC(=O)c1cc(Cl)cc(CN(CCN)CCO)c1O	843368253	PGULHPOFOJLCLB-UHFFFAOYSA-N	286.759	1.001	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1CC(=O)N(C)C[C@H]1C	840940231	WHLJSRZAKPVLMI-CYBMUJFWSA-N	275.396	1.724	10	20	CDCD	
C[C@H](NCc1ccc2c(c1)CCCO2)C(=O)NCCF	922101288	CYEPHCSCQCOWJZ-NSHDSACASA-N	280.343	1.575	10	20	CDCD	
OC[C@@H]1CN(Cc2cc(Cl)c(F)cc2O)CC[C@@H]1O	840975624	PMCOQUXYTNTMIQ-CABZTGNLSA-N	289.734	1.360	10	20	CDCD	
C[C@H]1C[C@H](CN)CN1C(=O)NCc1ccc(N(C)C)cc1	841654030	LYIGJCBVUWMDQJ-GXTWGEPZSA-N	290.411	1.631	10	20	CDCD	
Cc1ccc(C(=O)N2C[C@H]3CC[C@H]2[C@@H](O)C3)c(O)c1O	925057032	NEDJKBPZLGHGES-DLOVCJGASA-N	277.320	1.392	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)OCCN1CCCC1=O	759594038	DTYGVOHYIQEMDQ-GQCTYLIASA-N	291.303	1.277	10	20	CDCD	
CON(C)C(=O)[C@@H](C)NCc1cc(Cl)ccc1O	858324853	IPMNLNJMNFTUKM-MRVPVSSYSA-N	272.732	1.544	10	20	CDCD	
COC[C@H](C)N[C@@H](C)c1cc([N+](=O)[O-])ccc1O	756343245	WGGCISKTFZGCNE-IUCAKERBSA-N	254.286	1.986	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)C1(COC)CC1	935948807	QCDSYRPCEZZSFO-UHFFFAOYSA-N	284.352	1.921	10	20	CDCD	
CN(Cc1cc2c(cc1O)OC[C@H]2O)Cc1cccn1C	768462687	BJWITQHSICNRDN-OAHLLOKOSA-N	288.347	1.789	10	20	CDCD	
CN1CN(Cc2cc(F)c(N(C)C)cc2F)CC1=O	862309701	TYVBWDURZHVLGF-UHFFFAOYSA-N	269.295	1.262	10	20	CDCD	
CN1CC[C@@H](N(C)Cc2cc(F)c(N(C)C)cc2F)C1=O	862247629	KGFYIVUUDFGGAE-CYBMUJFWSA-N	297.349	1.693	10	20	CDCD	
Cn1cnnc1[C@H]1CCCN1C(=O)c1cc(O)cs1	768547629	VQAOFLKXSDDGHA-SECBINFHSA-N	278.337	1.560	10	20	CDCD	
CCN(CCO)Cc1cc(F)c(N(C)C)cc1F	862212421	ROKWZNLIBZDJQY-UHFFFAOYSA-N	258.312	1.845	10	20	CDCD	
C[C@@H](NC(=O)[C@@H]1C[C@]12CCCNC2)c1ccccc1O	870988161	HFICICNWDBDHCD-FFSVYQOJSA-N	274.364	1.959	10	20	CDCD	
CCOc1ccc(CN2C[C@H](CC)[C@@H](O)C2)c(O)c1	770383453	VLBWQODCJMEJTG-NHYWBVRUSA-N	265.353	1.994	10	20	CDCD	
Cc1ccncc1C(=O)NCc1ccc(O)c(O)c1	778915073	PJQCQZWATHSHIH-UHFFFAOYSA-N	258.277	1.731	10	20	CDCD	
C[C@@H](NC[C@]1(O)CCOC1)c1c(O)cccc1F	886556975	OFRSFNVNTMVQRI-NOZJJQNGSA-N	255.289	1.333	10	20	CDCD	
COC(=O)[C@H]1CSCCN1Cc1ccc(N(C)C)cc1	887077107	DQBXFVYFNILELP-CQSZACIVSA-N	294.420	1.843	10	20	CDCD	
COc1cccc(O)c1CN1CCNC(=O)[C@@H]1CC(C)C	783728687	QOCYCXCJSIFHLK-ZDUSSCGKSA-N	292.379	1.747	10	20	CDCD	
O=C(COC(=O)c1ccnc(F)c1)c1ccc(O)c(O)c1	783256483	NAGJGJNEXJAHAO-UHFFFAOYSA-N	291.234	1.672	10	20	CDCD	
CCCOc1ccc(CNCC(=O)N(C)OC)cc1C	895046617	QFDAVGNFHYHJOH-UHFFFAOYSA-N	280.368	1.893	10	20	CDCD	
COc1ccc(CNC[C@H]2CCCO2)c(O)c1OC	892432709	UYQQFWFEPQEYSU-LLVKDONJSA-N	267.325	1.678	10	20	CDCD	
CC[C@@](C)(CO)NC(=O)/C=C\c1ccc(O)c(O)c1	782027276	WPXAIHMZUDSLQL-VSKVDJIOSA-N	265.309	1.388	10	20	CDCD	
CO[C@@]1(C(=O)NCc2ccccc2O)CCSC1	896014615	AGLPQPJOMHOHAB-ZDUSSCGKSA-N	267.350	1.531	10	20	CDCD	
C[C@H]1CN(C)C(=O)CN1Cc1cccc(Cl)c1O	783733789	OHNIJHMVYZPJRD-VIFPVBQESA-N	268.744	1.708	10	20	CDCD	
COc1ccc(CNC(=O)[C@H](NC(C)=O)C(C)C)c(O)c1	794372723	COVSRSMUYHMGSZ-CQSZACIVSA-N	294.351	1.178	10	20	CDCD	
COc1ccc(CN[C@@H]2C(=O)NCC[C@H]2C)c(O)c1OC	894255462	ZDSPNDCBRUUGHA-SKDRFNHKSA-N	294.351	1.024	10	20	CDCD	
CNc1nc(C)cc(C(=O)N(C)Cc2ccccc2O)n1	798162513	VDWQSBPNUFSBPP-UHFFFAOYSA-N	286.335	1.805	10	20	CDCD	
COCC1(C)CN(C(=O)c2cccc(O)c2O)C1	790425548	AQYQHDRSAQHFOF-UHFFFAOYSA-N	251.282	1.206	10	20	CDCD	
CCOCCOC[C@@H](O)CN[C@H](C)c1cc(C)ccc1O	790757965	ALORFRWRJKTBKX-KGLIPLIRSA-N	297.395	1.765	10	20	CDCD	
CNC[C@H](C)CNCc1ccc(N2CCOCC2)cc1	1328677429	NQZIGNPHBCEZHC-AWEZNQCLSA-N	277.412	1.468	10	20	CDCD	
C[C@H](CCCCO)NC(=O)NCc1ccc(N)cc1	1337070300	MJHCHAUJNZANEH-LLVKDONJSA-N	265.357	1.619	10	20	CDCD	
Cn1cncc1CCC(=O)NCc1cccc(O)c1O	1347541146	CVUOMRLFRRKARH-UHFFFAOYSA-N	275.308	1.080	10	20	CDCD	
CCOC1CC2(C1)C[C@@H]2C(=O)NCc1cccc(O)c1O	1348047090	LOIMASGENOWILG-BWBHSNQOSA-N	291.347	1.919	10	20	CDCD	
O=C(NCc1ccc(N2CCOCC2)cc1)[C@H]1C[C@H]1F	1519019627	IYFPYZRNZGNPCN-UONOGXRCSA-N	278.327	1.497	10	20	CDCD	
NC(=O)N=Nc1ccc(C(=O)N[C@@H](CF)C(=O)O)cc1	1608237851	GZZFUEKKNKZBGB-QMMMGPOBSA-N	282.231	1.002	10	20	CDCD	
Cc1cc(O)c(CN2C[C@H](O)C[C@@H]2C(=O)O)cc1Cl	1600285896	IEBOEZGJZHVLGZ-MWLCHTKSSA-N	285.727	1.374	10	20	CDCD	
O=C(O)C1=CC[C@@H](NCc2cc(F)c(F)cc2O)C1	1601741577	XBZSEKYGDHEQNB-SECBINFHSA-N	269.247	1.933	10	20	CDCD	
O=C(O)[C@@H](Cc1ccncc1)NCc1cccc(F)c1O	1594840956	QRDQRWUMMMAYFL-CYBMUJFWSA-N	290.294	1.712	10	20	CDCD	
COc1cccc(CNCc2ccc(C(=O)O)cn2)c1O	1599674351	OQAPNDJRFGQGCN-UHFFFAOYSA-N	288.303	1.784	10	20	CDCD	
COc1cc(O)c(CN(C)Cc2cnn(C)c2)cc1OC	159784944	RNJGGTHIAVEPQP-UHFFFAOYSA-N	291.351	1.775	10	20	CDCD	
CCOc1cccc(CNC[C@@]2(OC)CCOC2)c1O	122985227	YFNXKDJFUOUDQI-HNNXBMFYSA-N	281.352	1.686	10	20	CDCD	
CC[C@@H]1CO[C@H](C)CN1C(=O)c1cccc(O)c1O	126283751	KAMSWSGQRUHKMZ-NXEZZACHSA-N	265.309	1.737	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCCCC[C@@H]1CO	126571048	UXCRKSYEBMTHSO-SNVBAGLBSA-N	265.309	1.475	10	20	CDCD	
Nc1ccc(CCNC(=O)CC[C@@H]2CCOC2)cc1	152545053	AIOPCUBAEMSUDX-CYBMUJFWSA-N	262.353	1.744	10	20	CDCD	
CN(C)c1ccc(CNCCN2CCCC2=O)cc1	405402042	RWBFNGIKGNGSRE-UHFFFAOYSA-N	261.369	1.465	10	20	CDCD	
Cc1nc(CN2CCN(Cc3ccccc3O)CC2)no1	179572822	XWYTZRIQNRJJLU-UHFFFAOYSA-N	288.351	1.401	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)N(C)CCO)cc1	179319561	VNZZUGQWLCCRKP-UHFFFAOYSA-N	279.384	1.667	10	20	CDCD	
CC(C)C[C@H]1C(=O)NCCN1Cc1ccccc1O	188920228	PMJUVKLSFCYRNO-ZDUSSCGKSA-N	262.353	1.739	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CC[C@H]([C@H]2CCOC2)C1	375694630	YLHBDDXDNUAPOU-QWRGUYRKSA-N	277.320	1.596	10	20	CDCD	
CNC(=O)[C@H]1CCCN(Cc2cccc(C)c2O)C1	180218847	SSLRJVRAXBCVRL-ZDUSSCGKSA-N	262.353	1.659	10	20	CDCD	
CC[C@H]1C(=O)NCCN1Cc1cc(F)ccc1O	180068365	RJOXGNHCYIDKGZ-NSHDSACASA-N	252.289	1.242	10	20	CDCD	
CN(CCOCC1CC1)C(=O)Cc1ccc(N)cc1	94983078	XGLWOWPFHUZURA-UHFFFAOYSA-N	262.353	1.696	10	20	CDCD	
CNC(=O)[C@@H]1CCCN(Cc2cc(C)ccc2O)C1	93361175	NZNRXDVFWFHBNM-GFCCVEGCSA-N	262.353	1.659	10	20	CDCD	
CO[C@H]1CN(Cc2c(O)cccc2Cl)C[C@H]1OC	234856834	WASQUQLICCRUOG-BETUJISGSA-N	271.744	1.891	10	20	CDCD	
CCOc1cccc(CN2CCNC(=O)[C@H]2CC)c1O	93050061	YTBONGYJKYWNPV-GFCCVEGCSA-N	278.352	1.501	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2[C@@H]1CCOC1=O	181118433	MZPZGHAOQVEKNL-GFCCVEGCSA-N	262.309	1.267	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@H]2CCC[C@@H]2O)c1	273506948	RCMJUSBJACZJEE-WFBYXXMGSA-N	279.336	1.743	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)NC[C@H]2CCOC2)c1	273433941	WMTZTUYCVAQNLN-GHMZBOCLSA-N	279.336	1.866	10	20	CDCD	
CCOC(=O)[C@@H](NC(=O)c1cccc(O)c1O)[C@@H](C)CC	279361968	SUOVJPCQXYYWPI-CABZTGNLSA-N	295.335	1.805	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H](C)C(=O)N2CCCC2)c(O)c1O	281703046	MFBAXRLEOMPGTI-JTQLQIEISA-N	292.335	1.147	10	20	CDCD	
Cn1cnnc1[C@@H]1CCCN1C(=O)Cc1ccc(N)cc1	387242449	ISOFENUEDAHTAN-ZDUSSCGKSA-N	285.351	1.304	10	20	CDCD	
CNC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1	285277691	QAVXBENJCVHFJI-UHFFFAOYSA-N	289.379	1.285	10	20	CDCD	
Cc1cc(C)c(O)c(CN2CC[C@H](CC(N)=O)C2)c1	808228323	UAFODRPJZPAZJP-GFCCVEGCSA-N	262.353	1.706	10	20	CDCD	
CCCN[C@H](C)C(=O)NCc1ccc(N(C)C)cc1	294803293	POXOYAVIKBPTJG-GFCCVEGCSA-N	263.385	1.757	10	20	CDCD	
CCCCN1CC(=O)N[C@@H]1c1cc([N+](=O)[O-])ccc1O	298792156	QWYQAPFXQDEQRF-ZDUSSCGKSA-N	279.296	1.531	10	20	CDCD	
C[C@@H](NC[C@@H]1CNCCCO1)c1cc(F)cc(F)c1O	817981629	MDGLMWSXNSWLSE-KOLCDFICSA-N	286.322	1.700	10	20	CDCD	
O=C(N[C@H]1CCN2CCC[C@@H]2C1)c1c(F)ccc(O)c1O	825481487	KQVKRGZCWREKCO-VHSXEESVSA-N	294.326	1.594	10	20	CDCD	
CC[C@H](NCc1ccc(N(C)C)c(F)c1)C(=O)NC	825316873	WLEZECDCFRRAJN-LBPRGKRZSA-N	267.348	1.506	10	20	CDCD	
CCc1cccc(CN[C@@H]2COCC[C@H]2OC)c1O	724880276	NZURFNCGIXYAPU-ZIAGYGMSSA-N	265.353	1.848	10	20	CDCD	
CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)Nc1ccc(N)cc1	832244832	ZKLOCDYWNMOSEN-LLVKDONJSA-N	299.396	1.171	10	20	CDCD	
CC(C)C[C@@H](C(N)=O)C(=O)N(C)Cc1ccccc1O	839542293	QIQIRAWKDXKIDH-LBPRGKRZSA-N	278.352	1.498	10	20	CDCD	
COc1cccc(CN2CC[C@@H](OC)C[C@H]2C(=O)O)c1O	833735673	SJARNUMVTGPFHA-NEPJUHHUSA-N	295.335	1.465	10	20	CDCD	
CCC(CC)(CO)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	847695220	BIMHKZKSUHNBQD-LLVKDONJSA-N	295.379	1.944	10	20	CDCD	
CCc1cccc(CN(CCO)CCCO)c1O	848883729	BUIQAPNNDDSQID-UHFFFAOYSA-N	253.342	1.131	10	20	CDCD	
CNCCCNC(=O)N[C@@H](C)c1cc(OC)ccc1O	841914649	HZEAXXVSRHIBEH-JTQLQIEISA-N	281.356	1.371	10	20	CDCD	
CN(C)c1ccc([C@H](N)CNC(=O)c2ccc(N)cn2)cc1	841845637	BWTIPFHZWCKHQY-CQSZACIVSA-N	299.378	1.160	10	20	CDCD	
C[C@H](N)CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1	841881094	NYAOSAQWXRTEOC-QWRGUYRKSA-N	264.373	1.460	10	20	CDCD	
COc1cccc([C@H](C)NC[C@@H]2COCCO2)c1O	846142604	FQOJRFJEEQGNQW-WDEREUQCSA-N	267.325	1.467	10	20	CDCD	
CN(C)C(=N)NCc1cc(F)c(N2CCOCC2)c(F)c1	849039596	IGWXBIMBSKWGHC-UHFFFAOYSA-N	298.337	1.387	10	20	CDCD	
COc1cccc(O)c1CN[C@H]1CC12CCNCC2	841079322	MAXDHQIGWZLTNX-AWEZNQCLSA-N	262.353	1.633	10	20	CDCD	
CCc1cccc(CN2CCS(=O)(=O)CC[C@H]2C)c1O	848907395	NGJDJDCDGPVIHR-GFCCVEGCSA-N	297.420	1.964	10	20	CDCD	
Cn1cc(N2CCN(C(=O)c3cc(O)cs3)CC2)cn1	746409847	PAUOYMGNEJQONX-UHFFFAOYSA-N	292.364	1.150	10	20	CDCD	
COc1cccc([C@@H](C)N[C@H](C)CC(N)=O)c1O	846143922	AVKOVUZQBIUHTI-RKDXNWHRSA-N	252.314	1.315	10	20	CDCD	
CN(C)C1(CNC(=O)NCCc2ccc(N)cc2)CCC1	841882974	BALMDSLCXWLBRV-UHFFFAOYSA-N	290.411	1.595	10	20	CDCD	
O=C(CCn1ccnc1)NCc1cc(Cl)ccc1O	857547898	ZNBDDJQBKNHJLO-UHFFFAOYSA-N	279.727	1.949	10	20	CDCD	
C[C@H](NCCN1CC[C@@H](O)C1)c1cc(F)cc(F)c1O	858549213	VAIKMSNLSSCLLK-GXSJLCMTSA-N	286.322	1.388	10	20	CDCD	
CC[C@@H](O)CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1	854004337	QIRWIEXOFMSCTM-SMDDNHRTSA-N	279.384	1.884	10	20	CDCD	
Cc1ccc([C@@H](C)NC[C@@H](O)CN(C)C)c(O)c1C	756554794	JEMUODOSNHXXPQ-CHWSQXEVSA-N	266.385	1.582	10	20	CDCD	
COc1cc(N(C)CC2(CO)COC2)cc(OC)c1OC	756884193	PEKGTVBBWNYKBY-UHFFFAOYSA-N	297.351	1.158	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCCNC2=O)c1	866762963	ASYPJDZXOFLFQV-GXSJLCMTSA-N	292.335	1.104	10	20	CDCD	
NCCCCCCn1cc(COc2ccc(N)cc2)nn1	864623433	UFYWPPBYQUPWBA-UHFFFAOYSA-N	289.383	1.958	10	20	CDCD	
CCOc1cnc(C(=O)NCc2cc(C)ccc2O)cn1	862757083	HBPYZOPDMALULD-UHFFFAOYSA-N	287.319	1.819	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@H]2C[C@H]3CC[C@H]2O3)c1	862760315	QBIZVWAVLZDAGA-MBNYWOFBSA-N	261.321	1.884	10	20	CDCD	
C[C@@H](NC(=S)NC[C@@H]1CCOC1)c1ccccc1O	865269313	INESNRDDERKZKL-MNOVXSKESA-N	280.393	1.954	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2C[C@@H]3CC[C@H](C2)N3)c1O	866680978	QOOWKIDGHMFPFR-BETUJISGSA-N	278.327	1.670	10	20	CDCD	
Cc1ccc(CN2CCS(=O)(=O)[C@H](C)[C@H]2C)c(O)c1	876753934	KSDWEOWWWIMPPR-VXGBXAGGSA-N	283.393	1.708	10	20	CDCD	
CN(C(=O)[C@@H]1C[C@]12CCCNC2)c1ccc(N)cc1	877074433	KHNSPTHLGYDHNJ-ZFWWWQNUSA-N	259.353	1.621	10	20	CDCD	
Cc1ccc(CN[C@@H](CO)[C@H]2CCCOC2)c(O)c1	877590000	VOTVSQJREAWZMG-KBPBESRZSA-N	265.353	1.578	10	20	CDCD	
COCCO[C@@H]1COCC[C@@H]1NCc1ccccc1O	776811605	BGDXFKKIPGENAK-DZGCQCFKSA-N	281.352	1.302	10	20	CDCD	
CN1CCN(c2ccc(CN[C@@]3(C)CCOC3)cc2)CC1	771860330	XIIUXXSRJLLWST-KRWDZBQOSA-N	289.423	1.707	10	20	CDCD	
Cc1cc(C(=O)NOCCO)c(C)n1-c1ccc(F)cc1	776578351	DAGVXDIDYSDUDE-UHFFFAOYSA-N	292.310	1.887	10	20	CDCD	
C[C@H](C[S@@](C)=O)N(C)C(=O)c1cc(O)cs1	777182158	IVVNEADDZXPDLM-VGDKGRGNSA-N	261.368	1.293	10	20	CDCD	
CC[C@@]1(CO)CCCN1C(=O)c1cccc(O)c1O	784727160	VOHBSEQYUXMRCM-AWEZNQCLSA-N	265.309	1.475	10	20	CDCD	
COC(=O)c1cc(CNCc2ccc(OC)cc2O)c[nH]1	793388488	PAEWNSOQRJGMOJ-UHFFFAOYSA-N	290.319	1.805	10	20	CDCD	
COCC1(C(=O)NCc2ccc(OC)cc2O)CC1	794391467	XZLZTBILEJGQEQ-UHFFFAOYSA-N	265.309	1.444	10	20	CDCD	
C[C@H](O)CCCOC(=O)/C=C/c1ccc(O)c(O)c1	795562325	SLFRHJJTHBZWJO-STUBTGCMSA-N	266.293	1.815	10	20	CDCD	
Cn1nnc(CN(Cc2ccccc2O)C2CCCC2)n1	799302457	LSPOCSQRLAFXQF-UHFFFAOYSA-N	287.367	1.861	10	20	CDCD	
CNC[C@@H](C)CNCc1ccc(N2CCOCC2)cc1	1328677430	NQZIGNPHBCEZHC-CQSZACIVSA-N	277.412	1.468	10	20	CDCD	
CC(C)C(=O)N1CCCN(Cc2ccc(N)cc2)CC1	1337834820	XLTXCFQDFDPXMZ-UHFFFAOYSA-N	275.396	1.959	10	20	CDCD	
COC(=O)[C@@H]1CN(C(=O)Cc2ccc(N)cc2)C[C@H]1C	95016775	DDHGCUJRBNLKFU-ZWNOBZJWSA-N	276.336	1.079	10	20	CDCD	
COC(=O)[C@@H]1C[C@@H](O)CN1Cc1cc(Cl)c(C)cc1O	1347396702	ZTGHCLMSCIUIDI-PWSUYJOCSA-N	299.754	1.462	10	20	CDCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@H]1CCCN1	1574136369	DBVLSBNYARGGEN-XJKSGUPXSA-N	289.423	1.860	10	20	CDCD	
COc1ccc(/C=C2/SC(=S)NC2=O)c(O)c1	200089535	UBKLELPJUGOCLX-RUDMXATFSA-N	267.331	1.890	10	20	CDCD	
COC(=O)[C@@H](NC(=O)Cc1ccc(N)cc1)C(C)C	35345886	DJPZFQLURJZPNP-ZDUSSCGKSA-N	264.325	1.125	10	20	CDCD	
C[C@H](NC(=O)c1cccc(O)c1O)[C@@H](O)C(F)(F)F	819566871	SUFMTZSGQDYJFG-SSDLBLMSSA-N	279.214	1.139	10	20	CDCD	
COC[C@@H](CCO)N[C@@H](C)c1ccc(N(C)C)cc1	223946736	TUFVLEZMEODTEK-GXTWGEPZSA-N	266.385	1.801	10	20	CDCD	
Cc1cc(C(=O)N2CCOc3cc(N(C)C)ccc32)[nH]n1	173208140	OJTCNAREDWLBDG-UHFFFAOYSA-N	286.335	1.823	10	20	CDCD	
CN1CCN(Cc2cc(Br)ccc2O)CC1=O	127304542	ZLGMUWSGMIKTGJ-UHFFFAOYSA-N	299.168	1.429	10	20	CDCD	
COCC1=CCN(Cc2cc3c(cc2O)OCO3)CC1	185036092	TUQVJIIZNZPYNO-UHFFFAOYSA-N	277.320	1.899	10	20	CDCD	
Cc1ccc(C(=O)N(C)[C@@H]2CCSC2)c(O)c1O	182907944	IMBWCHKCODTQBJ-SECBINFHSA-N	267.350	1.984	10	20	CDCD	
COCCOCCNCc1cccc(Cl)c1O	124736338	YLMNVZYMJMZJGN-UHFFFAOYSA-N	259.733	1.798	10	20	CDCD	
CC1(C)[C@@H](O)C[C@@H]1NCc1cc([N+](=O)[O-])ccc1O	183769911	XBCVZQIKLMHYQR-RYUDHWBXSA-N	266.297	1.549	10	20	CDCD	
Cc1cccc(CN2CCC[C@H](OCCO)C2)c1O	180175208	QAHUOPCXORWUSE-AWEZNQCLSA-N	265.353	1.674	10	20	CDCD	
COc1cc(O)c(CNC[C@H]2CC[C@H](O)C2)cc1OC	187985138	PWOBOMTUGHFZMW-JQWIXIFHSA-N	281.352	1.660	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@@H](N)C(C)(C)C	40468625	QWCROJIBTYJQGI-GFCCVEGCSA-N	250.342	1.724	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H](CO)C(C)(C)C)c(O)c1O	278918958	WOQSNZMUIQAMQM-JTQLQIEISA-N	267.325	1.543	10	20	CDCD	
COC[C@H](CO)N[C@@H](C)c1ccc(C)c(C)c1O	281201354	SABPLGNYZOWUDR-RYUDHWBXSA-N	253.342	1.667	10	20	CDCD	
C[C@H](CO)NCc1cc(Br)ccc1O	163757645	HBQDPSWNNYNRFB-SSDOTTSWSA-N	260.131	1.625	10	20	CDCD	
Oc1cc2c(cc1CN1CCOCC(F)(F)C1)OCO2	288680563	SODPTMUNLQGEPA-UHFFFAOYSA-N	287.262	1.588	10	20	CDCD	
COc1ccc(CCC(=O)OCC(=O)C(C)=O)cc1	808487435	KVERCRJGYXEXOH-UHFFFAOYSA-N	264.277	1.329	10	20	CDCD	
O=S(=O)(Nc1cc(Cl)c(O)cc1F)c1cn[nH]c1	808114692	FGCJPFFODWMRIT-UHFFFAOYSA-N	291.691	1.709	10	20	CDCD	
O=C(NC[C@@H]1CC[C@@H](O)C1)c1c(F)ccc(O)c1O	295046631	AIALCIJLRBDEQM-HTQZYQBOSA-N	269.272	1.128	10	20	CDCD	
Oc1cccc2c1[C@@H](NCCC1(O)CCOCC1)CC2	297421181	UROJTGKQFYKWGQ-ZDUSSCGKSA-N	277.364	1.901	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2cc[nH]n2)c1	728977668	CBLNPGVLDMESSY-MRVPVSSYSA-N	261.281	1.615	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)C[C@@H]1CCC(=O)N1	827955166	ACZCSYMWMRITDY-ZDUSSCGKSA-N	289.379	1.346	10	20	CDCD	
CNC(=O)CCN(C)Cc1cc(Cl)c(C)cc1O	824701724	FPULQLCFJLTUNA-UHFFFAOYSA-N	270.760	1.922	10	20	CDCD	
COC[C@@](C)(O)CNCc1ccc(N(C)C)c(F)c1	733326543	JTRQKOLQUCWGJX-AWEZNQCLSA-N	270.348	1.379	10	20	CDCD	
CN1CCCc2cc(CNC(=O)[C@H]3C[C@H]3C(=O)O)ccc21	737519612	ZJJLYFVDZVUEIO-QWHCGFSZSA-N	288.347	1.406	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCCF	831924028	BJJORCSFOMEHEH-SECBINFHSA-N	255.289	1.895	10	20	CDCD	
CCOC1CN(Cc2ccc(N3CCN(C)CC3)cc2)C1	839130972	JXDSOIGDWJIWCL-UHFFFAOYSA-N	289.423	1.659	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@@H]2C[C@H]3CC(=O)[C@@H]2C3)c1	837486111	URNUAUZYGQXELA-ZWKOPEQDSA-N	289.331	1.632	10	20	CDCD	
CC[C@@H]1OCC[C@H]1NC(=O)c1cccc(O)c1O	838297988	FTSKUXMFHLTLOT-KOLCDFICSA-N	251.282	1.395	10	20	CDCD	
CCO[C@@H]1C[C@@H]1C(=O)NCc1ccc(O)cc1O	910952487	VRIDRTBQGYFMRX-CMPLNLGQSA-N	251.282	1.139	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)[C@@H]1CCc2nccn2C1	910945020	SLRAELPBLBLHRH-LLVKDONJSA-N	287.319	1.173	10	20	CDCD	
O=C(NC[C@H](O)C(F)(F)F)c1cc(O)cs1	748412036	IHNABNSAUFVHGF-LURJTMIESA-N	255.217	1.107	10	20	CDCD	
COc1cccc(CN[C@H](CCN)C(F)(F)F)c1O	841090838	NLPZSQNRRHLCIB-SNVBAGLBSA-N	278.274	1.770	10	20	CDCD	
CC[C@@H](C)C[C@@H](CO)NC(=O)c1cccc(O)c1O	844032637	GKPXRDSBCBHGSF-ZJUUUORDSA-N	267.325	1.625	10	20	CDCD	
CNC(=O)CN(CC(C)C)c1ccc(OC)cc1	747682556	MSWHIUMYNDFSHF-UHFFFAOYSA-N	250.342	1.904	10	20	CDCD	
O=C(c1cc(O)cs1)N(CCO)C1CCSCC1	846990198	XHYVFVCSRCMQGW-UHFFFAOYSA-N	287.406	1.784	10	20	CDCD	
CCOCc1cc(CNC[C@@H]2COCCO2)ccc1OC	747855052	YCWARGCLFGJZQQ-OAHLLOKOSA-N	295.379	1.737	10	20	CDCD	
O=C(NCCCSc1nccs1)N[C@@H]1CCNC1	841856801	KTVDLDKVYLIZGO-SECBINFHSA-N	286.426	1.286	10	20	CDCD	
COc1cc(O)c(CN2CC[C@@H](C)[C@@H](CN)C2)cc1OC	841100856	MCUUIYIJNRTHFD-YPMHNXCESA-N	294.395	1.826	10	20	CDCD	
CN(C[C@H](O)C(F)(F)F)c1ccc(OCC(=O)O)cc1	846279778	KSJBIELCMOUBFO-JTQLQIEISA-N	293.241	1.509	10	20	CDCD	
CCn1nccc1CNC(=O)NCc1ccccc1O	852715574	QKCAADHFEFZLQL-UHFFFAOYSA-N	274.324	1.608	10	20	CDCD	
CC[C@@H](O)CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1	854004335	QIRWIEXOFMSCTM-BXUZGUMPSA-N	279.384	1.884	10	20	CDCD	
CC(C)OCCNCc1ccc(N2CCN(C)CC2)cc1	757978851	WRLROGDGIBNRSG-UHFFFAOYSA-N	291.439	1.953	10	20	CDCD	
Nc1ccc(NC(=O)[C@@]2(C(F)(F)F)CCNC2)cc1	852790419	PLNRSPUXJJJDGD-LLVKDONJSA-N	273.258	1.749	10	20	CDCD	
CCCN1CC[C@@H](NC(=O)/C=C\c2ccc(O)c(O)c2)C1	856073274	MSRMOGKMQSAQTB-RYWCDNDXSA-N	290.363	1.712	10	20	CDCD	
CNC[C@H](C)NC1CCN(c2ccc(OC)cc2)CC1	853249574	RJYHVZJJPLJQQJ-ZDUSSCGKSA-N	277.412	1.862	10	20	CDCD	
COC[C@H]1CCCN1NC(=O)c1cc(O)cs1	862591877	UVWWHSSULQXUCZ-MRVPVSSYSA-N	256.327	1.209	10	20	CDCD	
C[C@H]1CN(C(=O)c2cc(O)cs2)CC[S@](=O)C1	762924153	YKLFCJRGATUDFD-QPFGOUBPSA-N	273.379	1.294	10	20	CDCD	
CN(C)c1ccc(CN2CCC(CO)(CO)CC2)cc1F	877797169	DZGFKEGAMOQVGD-UHFFFAOYSA-N	296.386	1.459	10	20	CDCD	
COCCCS(=O)(=O)NCc1cc(C)ccc1O	1118822311	YNLCBPQKOYEIRV-UHFFFAOYSA-N	273.354	1.157	10	20	CDCD	
COCCn1cc(CNCc2c(O)cccc2OC)cn1	1116918987	TWHVSNYUKBPWIX-UHFFFAOYSA-N	291.351	1.534	10	20	CDCD	
CC[C@H](NC(C)=O)c1nc(Cc2ccc(N)cc2)no1	872171826	XSXBJGRIODVGQP-LBPRGKRZSA-N	274.324	1.830	10	20	CDCD	
C[C@H]1CCCN(C(=O)COC(=O)c2cccc(O)c2O)C1	776281832	LLMDCIDWQXWTRG-JTQLQIEISA-N	293.319	1.513	10	20	CDCD	
CN(C)c1ccc(CN[C@H]2C[C@@H](C(=O)O)C2)cc1F	874046792	KCEQWZAPTBVYQG-PHIMTYICSA-N	266.316	1.845	10	20	CDCD	
Cn1ccnc1[C@@H]1CNCCN1Cc1ccc(N)cc1	1120268097	ADOULKMJCTVIMI-AWEZNQCLSA-N	271.368	1.149	10	20	CDCD	
CN(C)c1ccc(CN2C[C@@H]3CNC[C@@H]3C2)cc1F	770394978	OHZASDKXAPXTDX-BETUJISGSA-N	263.360	1.543	10	20	CDCD	
Cc1[nH]nc(CNC(=O)c2cc(O)cs2)c1C	1123900780	DICOBMGYVBZZOH-UHFFFAOYSA-N	251.311	1.724	10	20	CDCD	
Cc1cccc(CN2C[C@@H](O)C[C@]2(C)CO)c1O	895328492	GPVVOMXBSPBBLH-GXTWGEPZSA-N	251.326	1.018	10	20	CDCD	
COc1cc(C)cc(CNC[C@@H](C)S(C)(=O)=O)c1O	894361591	KDEYXAZYDQOVCG-SNVBAGLBSA-N	287.381	1.232	10	20	CDCD	
COC(=O)[C@@](C)(CO)NCc1ccc(OC)c(C)c1	894974709	GGKQMBVYOMXSSM-CQSZACIVSA-N	267.325	1.017	10	20	CDCD	
C[C@@H]1CN(Cc2ccc(N3CCCC3)cc2)CC(=O)N1	1204324623	NVFHZAVNQUWJIJ-CYBMUJFWSA-N	273.380	1.607	10	20	CDCD	
C[C@@H]1COCCN1CCNCc1c(O)cccc1Cl	1318457384	SHXKKAZKRZFDDN-LLVKDONJSA-N	284.787	1.856	10	20	CDCD	
CN(CC(=O)NC1CCCC1)Cc1ccccc1O	109769615	QPFGLBUTQXNJRZ-UHFFFAOYSA-N	262.353	1.883	10	20	CDCD	
CN[C@H](C)CCNCc1ccc([N+](=O)[O-])c(OC)c1O	1328677714	SXLWQFXFOLPNFM-SECBINFHSA-N	283.328	1.397	10	20	CDCD	
CSCCn1nnnc1N(C)Cc1ccccc1O	1335422068	XCEATHMRHGHNQA-UHFFFAOYSA-N	279.369	1.378	10	20	CDCD	
Nc1ccc(CN2CCC([C@H]3OCCC[C@H]3N)CC2)cc1	1345160148	SHOWSQCGGBFIJE-IAGOWNOFSA-N	289.423	1.987	10	20	CDCD	
O=C1NCCN1CCNCc1ccc(N2CCCC2)cc1	1262077557	HTAYELJMBUBRKK-UHFFFAOYSA-N	288.395	1.402	10	20	CDCD	
C[C@@H](NC(=O)c1ccc2c(n1)CNCC2)c1ccccc1O	1342306129	FWWFIQUGGPASDP-LLVKDONJSA-N	297.358	1.924	10	20	CDCD	
O=C(NCc1cccc(Cl)c1O)NC[C@H](F)C(=O)O	1601541612	YICKWZGMAQJKQR-QMMMGPOBSA-N	290.678	1.268	10	20	CDCD	
COC[C@H](CN[C@@H](C)c1cc(C(=O)O)ccc1O)OC	1606800031	CILAZTXTBSJCLS-ONGXEEELSA-N	283.324	1.402	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NCCOCCO)c1	20198841	AADUJGMUHLXDMO-SNVBAGLBSA-N	255.314	1.060	10	20	CDCD	
O=C(NCc1cccc(Cl)c1O)N[C@@H]1CCCNC1	1580718677	KMANGQTVHYGSFP-SNVBAGLBSA-N	283.759	1.597	10	20	CDCD	
CC[C@H](NC[C@@H]1CCCNC1=O)c1ccccc1O	838911905	BSIAGQJKUAXLQK-AAEUAGOBSA-N	262.353	1.959	10	20	CDCD	
Nc1ccc(CC(=O)N2CCO[C@@H]3CCC[C@@H]32)cc1	43423260	MJHRYCQZJHGIJN-UONOGXRCSA-N	260.337	1.591	10	20	CDCD	
CCN(C)C(=O)CN[C@H](C)c1ccc(N(C)C)cc1	186820051	JXFUMOKXAIBPNM-GFCCVEGCSA-N	263.385	1.882	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)CNC(=O)OC	58854521	VGYYHRWKCPILSF-UHFFFAOYSA-N	293.367	1.457	10	20	CDCD	
CNC(=O)CCN(Cc1ccccc1O)C[C@H]1CCCO1	111232896	NJFWSFXJWNQDBF-CQSZACIVSA-N	292.379	1.509	10	20	CDCD	
COCCCN(C)C(=O)c1ccc(C)c(O)c1O	177676676	OEMZFEUOJZJWEU-UHFFFAOYSA-N	253.298	1.515	10	20	CDCD	
O=C(C1CC1)N1CCCN(Cc2cc(F)ccc2O)CC1	119096484	FCBKRMNSEPFDQF-UHFFFAOYSA-N	292.354	1.976	10	20	CDCD	
CC(C)NC(=O)[C@@H](C)N[C@@H](C)c1ccccc1O	228941311	MOGNEMWDCYKFMB-WDEREUQCSA-N	250.342	1.956	10	20	CDCD	
C[C@@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)CCO1	25836544	FFUVZSYMXOJHDC-CYBMUJFWSA-N	291.395	1.090	10	20	CDCD	
COC(=O)[C@@H](C)CN(C)Cc1ccc(N(C)C)cc1	127496828	SZKBUXIPFJPZMX-LBPRGKRZSA-N	264.369	1.994	10	20	CDCD	
COCC[C@@H](C)NC(=O)c1ccc(C)c(O)c1O	179468988	LRGAAXQAQYBLCL-SECBINFHSA-N	253.298	1.561	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N2CC[C@](C)(O)C2)cc1	175438676	INEJPRXEMLRTFN-HNNXBMFYSA-N	277.368	1.419	10	20	CDCD	
COc1ccc(N(C)CC(=O)NC(C)C)cc1F	121813347	FGMWEJJFYPUBES-UHFFFAOYSA-N	254.305	1.795	10	20	CDCD	
C[C@H](N[C@H]1CCC(=O)N(C)C1)c1ccc(F)c(F)c1O	187728433	JUUZJQWGKCPLSG-IUCAKERBSA-N	284.306	1.942	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@H]2CCCN2)cc1F	70810698	BEYBGRDFUBUQOP-GFCCVEGCSA-N	265.332	1.260	10	20	CDCD	
O=C(Nc1nnc(C(F)(F)F)[nH]1)c1cccc(O)c1O	188996004	BPSTZSFLLBBPLA-UHFFFAOYSA-N	288.185	1.487	10	20	CDCD	
Cc1ccc(O)c(CN(C)[C@@H](C)C[S@](C)=O)c1	130869961	ITYJSZBQVGCJNQ-APPDUMDISA-N	255.383	1.899	10	20	CDCD	
COc1ccc(N2CCN(C(=O)c3ccncn3)CC2)cc1	74730600	JYNZRRBSCZLJPD-UHFFFAOYSA-N	298.346	1.448	10	20	CDCD	
Cc1ccc(C(=O)N(C)C[C@H]2CCC[C@@H]2O)c(O)c1O	182904242	WSXIGBRQVAXNMM-PWSUYJOCSA-N	279.336	1.639	10	20	CDCD	
COc1ccc(N(C)Cc2nnnn2C2CC2)cc1OC	140331500	CTOMOZJQSNMIGH-UHFFFAOYSA-N	289.339	1.662	10	20	CDCD	
C[C@@H](CNC(=O)c1cccc(O)c1O)CN(C)C	293735603	KZEMALQMYHHNPJ-VIFPVBQESA-N	252.314	1.025	10	20	CDCD	
CN(C)S(=O)(=O)CCNCc1cccc(Cl)c1O	230992807	QHZCNKVQEAQMID-UHFFFAOYSA-N	292.788	1.027	10	20	CDCD	
Cc1ccc(CC(=O)NCCc2ccc(N)cc2)cn1	262589554	ZKCBVVDGQBRLMA-UHFFFAOYSA-N	269.348	1.874	10	20	CDCD	
C[C@H](NC[C@@H](O)c1cnn(C)c1)c1ccc(F)cc1O	273572760	LCNSBQIEQMDDIA-LKFCYVNXSA-N	279.315	1.649	10	20	CDCD	
CN1CCCC[C@@H](CNC(=O)c2cccc(O)c2O)C1	700793097	PIVZUXBWIRRQLW-NSHDSACASA-N	278.352	1.560	10	20	CDCD	
Cc1cccc(CN2CC[C@H](N3CCCC3=O)C2)c1O	276784332	JWEYWMKALRUUEB-AWEZNQCLSA-N	274.364	1.897	10	20	CDCD	
O=C(NCc1ccccc1O)N[C@@H]1CCC[C@H]1CCO	275270242	SWCAJKIGDHNADV-WCQYABFASA-N	278.352	1.743	10	20	CDCD	
C[C@H]1CCN(Cc2cc(F)ccc2O)CC[S@@]1=O	277418873	ICHDTXOKDKNNGC-YPMLDQLKSA-N	271.357	1.874	10	20	CDCD	
C[C@H]1C(=O)CC[C@@H]1CC(=O)NCc1ccc(O)c(O)c1	279707650	ALZSQSFIOZJWKS-MWLCHTKSSA-N	277.320	1.719	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)NC[C@@H](C)CO)c1	273441224	YJKUEGZEVPUGLN-NXEZZACHSA-N	267.325	1.458	10	20	CDCD	
Cc1ccc([C@@H](C)NCCCn2cc(CO)nn2)c(O)c1	289670747	HEYCQJFEGCCTEW-GFCCVEGCSA-N	290.367	1.525	10	20	CDCD	
Cn1cc(C[C@H]2CCN(C(=O)Cc3ccc(N)cc3)C2)cn1	370778529	FWJVSTXAAJWPCC-CQSZACIVSA-N	298.390	1.636	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cnn(C)n1	284095966	XQEGCVFMJKTYOU-UHFFFAOYSA-N	287.367	1.543	10	20	CDCD	
O=C(NCc1ccccc1O)NC[C@@H]1CCOC1	299535521	UCFSQEPOEDAABY-JTQLQIEISA-N	250.298	1.228	10	20	CDCD	
O=C(NCCc1ccc2c[nH]nc2c1)c1cccc(O)c1O	803562517	MUNVRZNKQZOCEF-UHFFFAOYSA-N	297.314	1.947	10	20	CDCD	
CO[C@@H]1CCOC[C@H]1NCc1ccc2c(c1)CCO2	724869885	BFRSKAXDJJIVCA-UKRRQHHQSA-N	263.337	1.515	10	20	CDCD	
CN1C(=O)CC[C@@H](NCc2ccc(N(C)C)c(F)c2)C1=O	818234217	VKOXVXOZBJESHZ-GFCCVEGCSA-N	293.342	1.129	10	20	CDCD	
CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@@H]1C	819694799	NTVRNIXBQSVLLN-WCQYABFASA-N	291.347	1.940	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2ccnc(C)n2)c1	728983280	WZZPQPJSJWPVJN-SECBINFHSA-N	287.319	1.990	10	20	CDCD	
CN(C(=O)c1ccccc1CCN)c1ccn(C)n1	577407996	ZHGCDZZDPLABOU-UHFFFAOYSA-N	258.325	1.198	10	20	CDCD	
CC[C@@](C)(O)C(=O)N(C)CCN(C)c1ccc(OC)cc1	823949132	WKEWJTCJYSTGRJ-MRXNPFEDSA-N	294.395	1.751	10	20	CDCD	
COC(=O)N1CCC[C@H](NC(=O)Cc2ccc(N)cc2)C1	828330128	ZWNBJJNXPZDAFI-ZDUSSCGKSA-N	291.351	1.158	10	20	CDCD	
O=C(NCc1ccccc1O)C1(C(=O)NC2CC2)CCC1	729530079	VYHWNGCXJSRKEF-UHFFFAOYSA-N	288.347	1.457	10	20	CDCD	
COc1cc(O)c(CN2CCC[C@@H]2C(=O)O)cc1OC	820775459	WNTXGXANOPDFHF-SNVBAGLBSA-N	281.308	1.458	10	20	CDCD	
Cc1ncc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)n1C	907272712	HXIGJYWNXAKELW-SECBINFHSA-N	289.335	1.501	10	20	CDCD	
O=C(COC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)c1ccc(O)c(O)c1	838420443	PNKGJGVVQSKDIJ-RULNRJAQSA-N	292.287	1.391	10	20	CDCD	
CC(C)N(C)C[C@H](C)NC(=O)c1c(F)ccc(O)c1O	832186857	HYEISYBPYGEAQW-VIFPVBQESA-N	284.331	1.695	10	20	CDCD	
Cn1nc2c(c1C(=O)NCc1ccc(O)cc1O)CCC2	910959225	ZVSQKVFHBUDFIW-UHFFFAOYSA-N	287.319	1.250	10	20	CDCD	
Nc1ccc(CCNC(=O)[C@H]2[C@H]3C(=O)CC[C@H]32)cc1	911783674	XBUNMKAEHQFYDT-MRVWCRGKSA-N	258.321	1.153	10	20	CDCD	
COC(=O)[C@@H]1C[C@H](O)CN(Cc2c(O)cccc2Cl)C1	843434896	OAMACYLRVUEDQS-ZJUUUORDSA-N	299.754	1.401	10	20	CDCD	
CCc1cccc(CNC[C@H](O)c2cnn(C)c2)c1O	848897608	KBQPENUTVUCGCQ-AWEZNQCLSA-N	275.352	1.511	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CCNC2)c1	841941147	KWMUPRZQLUXAGL-VHSXEESVSA-N	279.340	1.123	10	20	CDCD	
COc1cccc(O)c1CN[C@@H]1CCC[C@@H](N)C1	841054792	HTZYACIBFMNSMP-GHMZBOCLSA-N	250.342	1.760	10	20	CDCD	
Oc1cc2c(cc1CN1CC[C@H]3NCC[C@@H]3C1)OCO2	843128935	ZRLQEBLDJUZNLA-ZYHUDNBSSA-N	276.336	1.305	10	20	CDCD	
CCN1C[C@@H](N[C@@H](C)c2cccc(OC)c2O)CC1=O	846169769	TWMYBRYFDHFCPL-QWRGUYRKSA-N	278.352	1.672	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)N[C@@H](C)CC(N)=O)c1	756661279	QGPFXSQPXGCQED-DTWKUNHWSA-N	280.324	1.093	10	20	CDCD	
COCCN(C)CCN[C@H](C)c1cc([N+](=O)[O-])ccc1O	756528640	OIFQLSVTFRSEGT-LLVKDONJSA-N	297.355	1.529	10	20	CDCD	
O=S(=O)(CC1CCC1)NCc1ccc(O)cc1O	867416690	FYXLKHTYXGYVJU-UHFFFAOYSA-N	271.338	1.317	10	20	CDCD	
CC[C@@]1(C(=O)NCc2cc(Cl)ccc2O)CCNC1=O	869145861	CESXFZWZHDRMKD-CQSZACIVSA-N	296.754	1.578	10	20	CDCD	
COCCO[C@H]1COCC[C@@H]1NCc1cc(F)ccc1O	777219966	OKQSCXRECSWQDR-ZFWWWQNUSA-N	299.342	1.441	10	20	CDCD	
CCN1C(=O)C(C)(C)N[C@H]1c1cc(O)ccc1O	1117945286	RTGBXOHCUFCDER-LLVKDONJSA-N	250.298	1.327	10	20	CDCD	
CN1CCCC[C@H]1C(=O)NCc1ccc(O)c(O)c1	778923713	QVGWIVVNSHOADZ-NSHDSACASA-N	264.325	1.198	10	20	CDCD	
COC(=O)[C@@H]1CCN(C(=O)c2ccc(C)c(O)c2O)[C@H]1C	787506937	SHUFVEOYOGTCSG-VHSXEESVSA-N	293.319	1.430	10	20	CDCD	
COc1ccc(CN2CC[C@@H](C)[C@H](CO)C2)c(O)c1OC	895515603	WPIQZJWFKBEPMB-YPMHNXCESA-N	295.379	1.860	10	20	CDCD	
O=C(c1c(F)ccc(O)c1O)N1CC[C@H](N2CCCC2)C1	789973533	HPFPHJHNFCSQFP-JTQLQIEISA-N	294.326	1.547	10	20	CDCD	
C[C@H]1CN(Cc2cc(Cl)c(F)cc2O)C[C@H]1O	897681055	YIHRWUOVYXVULK-JVXZTZIISA-N	259.708	1.997	10	20	CDCD	
Oc1cc2c(cc1CN[C@H]1Cc3ccccc3[C@@H]1O)OCO2	898392470	IBYBWQBOBAGQQL-GUYCJALGSA-N	299.326	1.869	10	20	CDCD	
COc1ccc(CNC(=O)N2CCCC2)c(O)c1	794762287	RGHKNXHGXCSUDQ-UHFFFAOYSA-N	250.298	1.706	10	20	CDCD	
c1cn(CCCNCc2ccc3c(c2)CCO3)cn1	37362991	NNMCYYKHZSGYKO-UHFFFAOYSA-N	257.337	1.998	10	20	CDCD	
COc1cccc(CN[C@@H](C)C(=O)NC(C)(C)C)c1O	134493171	ZTXDYQIXWWSLIX-JTQLQIEISA-N	280.368	1.794	10	20	CDCD	
COC[C@@H](C)S(=O)(=O)NCc1cc(C)ccc1O	1328771765	ZOZRFLOLMWKRHK-SNVBAGLBSA-N	273.354	1.155	10	20	CDCD	
CO[C@@H]1C[C@@H](NC(=O)c2cccc(O)c2O)C12CCC2	713144742	KZQHHHVZBRBCAH-VXGBXAGGSA-N	277.320	1.785	10	20	CDCD	
Nc1ccc(CN2CCS[C@H]3COCC[C@@H]32)cc1	1334775356	XPBDCUXKHIBXNO-KBPBESRZSA-N	264.394	1.975	10	20	CDCD	
C[C@@]1(O)CCCN(C(=O)NCc2ccc(N)cc2)CC1	1336290934	XHFLDHQMXOEWOV-OAHLLOKOSA-N	277.368	1.715	10	20	CDCD	
CC(=O)N1CCC(NC(=O)NCc2ccc(N)cc2)CC1	1337673237	GUGFJJIPPRESIT-UHFFFAOYSA-N	290.367	1.079	10	20	CDCD	
C[C@@H](CS(C)(=O)=O)N(C)Cc1cc(Cl)ccc1O	93384592	RBPUCJYOKMSOIE-VIFPVBQESA-N	291.800	1.911	10	20	CDCD	
Nc1ccc(CNC(=O)N2CCN(CC3CC3)CC2)cc1	1337079187	YPDJIAYXUWMYFK-UHFFFAOYSA-N	288.395	1.506	10	20	CDCD	
O=C(O)C1=CC[C@H](NCc2cc(F)cc(F)c2O)C1	1350653432	OGKIIAOZVZHRBY-JTQLQIEISA-N	269.247	1.933	10	20	CDCD	
Cn1cc(CSc2ncc(C(=O)O)s2)cn1	1600956055	GFYVGJCZIARSMA-UHFFFAOYSA-N	255.324	1.867	10	20	CDCD	
Cc1cc(CN[C@H](C)c2cc(C(=O)O)ccc2O)n[nH]1	1600203826	WVEJRKUBWSVQFG-SECBINFHSA-N	275.308	1.973	10	20	CDCD	
O=C(O)C1CN(Cc2ccc(N3CCOCC3)cc2)C1	1594952000	ZNBSRVPRLCNXRY-UHFFFAOYSA-N	276.336	1.040	10	20	CDCD	
CC[C@H](C)[C@H](OC(=O)c1cccc(O)c1O)C(=O)O	1594926013	GOPSNSQUXCFHLW-CPCISQLKSA-N	268.265	1.754	10	20	CDCD	
CCOCCCC(=O)NCc1ccc(O)c(O)c1	158880216	MHMOCWXHYALWGL-UHFFFAOYSA-N	253.298	1.531	10	20	CDCD	
Oc1cc2c(cc1CNCCn1cccn1)OCO2	42880429	RUNQFMCVXGJWKI-UHFFFAOYSA-N	261.281	1.107	10	20	CDCD	
COc1ccc(CN[C@@H](C)c2nncn2C)cc1C	37293812	BJKOBSPLMUEIBA-NSHDSACASA-N	260.341	1.983	10	20	CDCD	
CC[C@@H]1CN(Cc2cc(F)cc(C(C)=O)c2O)C[C@@H]1O	270820454	BEJBPDCUUKRDHQ-YGRLFVJLSA-N	281.327	1.937	10	20	CDCD	
C[C@H](NC[C@]1(O)CCO[C@H]1C)c1ccc(F)cc1O	278735342	JJQKTMNVQWCILU-PKFCDNJMSA-N	269.316	1.722	10	20	CDCD	
CN(CC(=O)N1CCOCC1)Cc1cc(Cl)ccc1O	179675916	GLXFEWNGVUNAFC-UHFFFAOYSA-N	298.770	1.336	10	20	CDCD	
Cc1ccc(C(=O)Nc2ccc(C(N)=O)cc2)c(O)c1O	179383504	GTVLJQJRIMIYIY-UHFFFAOYSA-N	286.287	1.757	10	20	CDCD	
COC[C@H](O)CCNCc1ccc(N(C)C)cc1	231604517	FBMXZDFXLFHRFA-CQSZACIVSA-N	252.358	1.240	10	20	CDCD	
COC1(CNCc2cc([N+](=O)[O-])ccc2O)CCOCC1	123211701	WIIUGEFTHTVURN-UHFFFAOYSA-N	296.323	1.586	10	20	CDCD	
C[C@H](CN1CCN(C)CC1)N[C@H](C)c1ccccc1O	183502180	ZRRCKCFTMZFBOC-ZIAGYGMSSA-N	277.412	1.679	10	20	CDCD	
NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	78931446	XZNYICFBWBJGKS-NSHDSACASA-N	250.298	1.452	10	20	CDCD	
Cc1cc(O)c(CN[C@@]2(CO)CCOC2)cc1C	184181653	AUDQZKVQRWVORY-CQSZACIVSA-N	251.326	1.250	10	20	CDCD	
Cc1cccc(CN2CCN(S(C)(=O)=O)[C@@H](C)C2)c1O	181933240	FKMGCJLTEWFWGL-LBPRGKRZSA-N	298.408	1.166	10	20	CDCD	
O=S1(=O)CCC[C@@H](CNCc2ccc3c(c2)CCO3)C1	289941631	BDYIIGKOESCJJB-ZDUSSCGKSA-N	295.404	1.536	10	20	CDCD	
OCCOCCCNCc1cccc(Cl)c1O	227521837	KSKVUTPTKOVJBD-UHFFFAOYSA-N	259.733	1.534	10	20	CDCD	
COc1ccc(O)c(CN2CC[C@@H](N)[C@H](C)C2)c1	251614369	DPCZEUXCZUOMLI-ZWNOBZJWSA-N	250.342	1.570	10	20	CDCD	
CC[C@H](N)C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1	269239124	AJHLDVZQILQGCF-ZDUSSCGKSA-N	295.358	1.220	10	20	CDCD	
C[C@H](CNC(=O)c1c(F)ccc(O)c1O)N(C)C1CC1	276625871	RTLSJRRFERULJA-MRVPVSSYSA-N	282.315	1.449	10	20	CDCD	
CCOc1ccc(O)c(CN2CCNC(=O)C[C@@H]2C)c1	367670560	NMIDYMVRRYBOIC-NSHDSACASA-N	278.352	1.501	10	20	CDCD	
C[C@@H](N[C@@H](CO)c1cnn(C)c1)c1ccccc1O	272818275	FJGPBZRYVXKKNR-MFKMUULPSA-N	261.325	1.510	10	20	CDCD	
C[S@@](=O)C1(CNC(=O)NCc2ccccc2O)CC1	282152700	ILBJRGQMSPGMJR-LJQANCHMSA-N	282.365	1.103	10	20	CDCD	
CN(C)c1ccc(CNC(=O)C(=O)N(C)C2CC2)cc1F	285648397	GSPWGGSUEVXXPC-UHFFFAOYSA-N	293.342	1.129	10	20	CDCD	
CCn1cnnc1NC(=O)/C=C/c1ccc(O)c(O)c1	803526831	MNQBTLWCARCLDZ-GQCTYLIASA-N	274.280	1.361	10	20	CDCD	
COC(=O)c1cnc(SCCN2CCCC2=O)s1	295404354	WPTHNTHWFNOIFQ-UHFFFAOYSA-N	286.378	1.644	10	20	CDCD	
CSC[C@H](O)CNCc1ccc(N(C)C)c(F)c1	818984555	CBIDRXLYTHYELQ-LLVKDONJSA-N	272.389	1.705	10	20	CDCD	
c1cc2c(cc1CN[C@H](C1CC1)[C@@H]1CNCCO1)CCO2	817902196	KPTJMUFZTKORBK-DLBZAZTESA-N	288.391	1.478	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2cc(C=O)c[nH]2)c1	815834806	AGUNOOXCEFDGDS-UHFFFAOYSA-N	274.276	1.471	10	20	CDCD	
COc1cccc(CNCC2(CC(N)=O)CC2)c1O	817411638	WLTAHYQIIPMOCJ-UHFFFAOYSA-N	264.325	1.146	10	20	CDCD	
Cc1ccc(C(=O)N2C[C@@H](CO)OC(C)(C)C2)c(O)c1O	817626549	BCCYMMQAGYGSFY-JTQLQIEISA-N	295.335	1.018	10	20	CDCD	
C[C@@H](NC(=O)C[C@H]1CCC(=O)N1)c1ccccc1O	827930354	HSZDCCXBNNZYHD-NXEZZACHSA-N	262.309	1.238	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1C[C@]12CCNC2	829764749	WGKVJJBIMHMODO-WBVHZDCISA-N	287.407	1.677	10	20	CDCD	
COc1ccc(N(C)CCN(C)C(=O)[C@H]2C[C@@H](O)C2)cc1	824207625	CLRXNJXQLNZHHA-XBXGTLAGSA-N	292.379	1.361	10	20	CDCD	
CO[C@H]1COCC[C@@H]1CNCc1cccc(C)c1O	824708450	GSPDRWWUVLIHAR-OCCSQVGLSA-N	265.353	1.842	10	20	CDCD	
COc1cccc(CNC(=O)[C@H]2C[C@H]3CC(=O)[C@@H]2C3)c1O	837483468	AOLVVJTWRKCIKM-WCQGTBRESA-N	289.331	1.632	10	20	CDCD	
Cc1ccc(C(=O)NCC[C@@H]2CCCN(C)C2)c(O)c1O	838147198	ONODLDIRGDMUND-LBPRGKRZSA-N	292.379	1.868	10	20	CDCD	
O=C(Nc1ccc2c(c1)C(=O)NCC2)c1cc(O)cs1	735331582	OPNRRKRCCWMFBD-UHFFFAOYSA-N	288.328	1.992	10	20	CDCD	
COCC1CCN(C(=O)c2cc(O)cs2)CC1	732835314	XQLNKRHCHLRRDT-UHFFFAOYSA-N	255.339	1.952	10	20	CDCD	
CSC1(C(=O)NCc2ccc(O)cc2O)CCC1	910946961	XDFSBHHHYVGUAB-UHFFFAOYSA-N	267.350	2.000	10	20	CDCD	
CCC(=O)N1CCC(NCc2cccc(OC)c2O)CC1	742217786	BIXGCDOVPQEGFJ-UHFFFAOYSA-N	292.379	1.891	10	20	CDCD	
COCCN(C)CCN[C@@H](C)c1cccc(OC)c1O	846145927	OUHQTTVGKPDBQE-LBPRGKRZSA-N	282.384	1.630	10	20	CDCD	
C[C@@H]1CN(Cc2c(O)ccc3ccncc23)CC(=O)N1	840132398	IDFAMSUUHMFTNP-SNVBAGLBSA-N	271.320	1.261	10	20	CDCD	
C[C@@H](O)CN(Cc1ccc(N2CCOCC2)cc1)C1CC1	848928206	AUICNNMOPDORPA-CQSZACIVSA-N	290.407	1.868	10	20	CDCD	
Cc1cc(Br)cc(CN(C)C2CNC2)c1O	843124746	MLWFZIHMDJPTOZ-UHFFFAOYSA-N	285.185	1.867	10	20	CDCD	
C[C@H](Cc1cnc[nH]1)C(=O)NCCc1ccc(O)c(O)c1	847589412	JBOZUVVZRJAJNV-SNVBAGLBSA-N	289.335	1.358	10	20	CDCD	
COC[C@H](OC)C(=O)NCc1cc(Cl)ccc1O	855023266	WVGWSIXRNVRHKT-NSHDSACASA-N	273.716	1.323	10	20	CDCD	
CC[C@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)OC	759588148	JFVNWKUJDFRMLS-PZBABLGHSA-N	280.276	1.606	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)CCc1nc[nH]n1	750615860	VPKBLEGCMOSQRH-UHFFFAOYSA-N	287.367	1.428	10	20	CDCD	
COC[C@@H](O)CCN[C@H](C)c1cc(F)cc(F)c1O	756777038	GAPWWPMTFYPQPD-SCZZXKLOSA-N	275.295	1.718	10	20	CDCD	
COC(=O)[C@]1(C)CCCN1C(=O)c1cccc(O)c1O	760641017	KNLHBWNOZNFUPM-AWEZNQCLSA-N	279.292	1.266	10	20	CDCD	
CCOc1ccc(CN2CCC[C@@H](O)C2)c(O)c1	768141177	QSSLKWHGOSKRGT-GFCCVEGCSA-N	251.326	1.748	10	20	CDCD	
Cc1cnccc1C(=O)Nc1nc(C2=S=CC=C2)n[nH]1	771314558	DTCAZAQAAMIDMT-UHFFFAOYSA-N	285.332	1.386	10	20	CDCD	
COCC(=O)NC1CCN(Cc2cccc(C)c2O)CC1	775655292	COBGNLGCMWCPBV-UHFFFAOYSA-N	292.379	1.428	10	20	CDCD	
COc1ccc(O)c(CN2CCc3c[nH]nc3C2)c1	775714963	YATIUCDKVKPPHH-UHFFFAOYSA-N	259.309	1.682	10	20	CDCD	
CCOc1ccc(O)c(CN(C)[C@H]2CCNC2=O)c1	770382894	SVQGUVNJCGQACL-LBPRGKRZSA-N	264.325	1.111	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N1CCC[C@@H]1CCO	779283733	JNDHUPTVQHOAIF-TXNVCOODSA-N	277.320	1.484	10	20	CDCD	
C[C@H](NCc1nc(=O)n(C)[nH]1)c1ccc(N(C)C)cc1	775832968	DGDJLOVHBVAGIY-JTQLQIEISA-N	275.356	1.025	10	20	CDCD	
CN(C)CCOCCNCc1ccc(N(C)C)c(F)c1	779432266	QNHWNWYGLSJGDY-UHFFFAOYSA-N	283.391	1.560	10	20	CDCD	
C[C@H](CNC(=O)NCc1cc(Cl)ccc1O)C(=O)O	1121841672	XXRPSKQBZUAITJ-SSDOTTSWSA-N	286.715	1.566	10	20	CDCD	
Cc1ncc2n1C[C@@H](C(=O)NCc1ccc(N)cc1)CC2	1122535744	GWZFJIWJVJHLRC-ZDUSSCGKSA-N	284.363	1.653	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)NCCOC(F)(F)F	789857528	PBMWQBRZAPQSLM-RQOWECAXSA-N	291.225	1.764	10	20	CDCD	
Cc1cnn(CC(=O)OCC(=O)c2ccc(O)c(O)c2)c1	783094541	ILUKQZHTYWXURQ-UHFFFAOYSA-N	290.275	1.029	10	20	CDCD	
Cc1cnc2c(c1)N(C(=O)/C=C/c1cn(C)cn1)CC2	888146443	BWRLPOKBRWWGBM-ONEGZZNKSA-N	268.320	1.726	10	20	CDCD	
COc1ccc(CNC(=O)CCCn2cccn2)c(O)c1	794379303	KZFFOWHLXOQGST-UHFFFAOYSA-N	289.335	1.694	10	20	CDCD	
C[C@H](CNCc1c(O)ccc(Cl)c1F)S(C)(=O)=O	790982698	HCAHLCYOVNMPIB-SSDOTTSWSA-N	295.763	1.707	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CO[C@@H]1CCOC1	1319360649	KKOAFEZKEKDDLT-OAHLLOKOSA-N	292.379	1.517	10	20	CDCD	
CNC(=O)CCCN[C@@H](C)c1cc(F)ccc1O	273366699	BOFMPIIFMNNPLN-VIFPVBQESA-N	254.305	1.708	10	20	CDCD	
CCC[C@@H](NCc1cc(F)ccc1O)C(=O)OC	83409675	JZMDCPGFWJRBTB-LLVKDONJSA-N	255.289	1.963	10	20	CDCD	
C[C@H](CS(C)(=O)=O)NCc1cc(F)cc(F)c1O	708465091	BLXHNPNALGLZFL-SSDOTTSWSA-N	279.308	1.193	10	20	CDCD	
CC(C)(C)[C@@H](CO)NC(=O)c1cccc(O)c1O	192877146	ONMBMNOANRFOLV-SNVBAGLBSA-N	253.298	1.235	10	20	CDCD	
CCC[C@H](C)NC(=O)C(=O)N(C)Cc1ccccc1O	1321931578	HUERUABWVWVURO-NSHDSACASA-N	278.352	1.655	10	20	CDCD	
Cc1cn(C)nc1C(=O)N(C)Cc1ccccc1O	723507713	VEXCGHJHFOLJKH-UHFFFAOYSA-N	259.309	1.706	10	20	CDCD	
Nc1ccc(CN2CCC(Cn3ccnn3)CC2)cc1	1262488135	RKRGZHPLPBFEJZ-UHFFFAOYSA-N	271.368	1.773	10	20	CDCD	
Cc1ncc2n1C[C@@H](C(=O)N(C)c1ccc(N)cc1)CC2	1354435180	BZFKUCYJCTZSFD-LBPRGKRZSA-N	284.363	1.999	10	20	CDCD	
Cc1ccc(O)c(CN2C[C@H](C)O[C@H](C(=O)O)C2)c1	1600465423	YUXBOOVZKYJJCQ-GWCFXTLKSA-N	265.309	1.375	10	20	CDCD	
Cc1ccc(O)c(CN2CCC([C@@H](O)C(=O)O)CC2)c1	1600465420	YKTWQJJMCCHBKG-CQSZACIVSA-N	279.336	1.358	10	20	CDCD	
CO[C@]1(C(=O)O)CCN(Cc2cc(C)c(C)cc2O)C1	1599078706	IOGCQSWVQUQBBA-OAHLLOKOSA-N	279.336	1.685	10	20	CDCD	
CN(C)c1ccc(CN[C@H]2C=C[C@@H](C(=O)O)C2)cc1	1777039970	PIEZITWQFIDYMY-OLZOCXBDSA-N	260.337	1.872	10	20	CDCD	
CN(C)c1cc(C(=O)NCc2ccc(O)c(O)c2)ccn1	158958300	UDGYOOOZHKGVHR-UHFFFAOYSA-N	287.319	1.489	10	20	CDCD	
Cc1cc(C)c(O)c(CN(C)CCS(C)(=O)=O)c1	164279425	OBUPFBUKCHWLRO-UHFFFAOYSA-N	271.382	1.485	10	20	CDCD	
COc1ccc(CNC[C@]2(OC)CCOC2)c(O)c1	122919450	YOVJQLRYNJLLQF-CQSZACIVSA-N	267.325	1.296	10	20	CDCD	
Oc1ccc(F)cc1CNCCN1CC=CCC1	279764216	JLSJQJFBRSLELV-UHFFFAOYSA-N	250.317	1.883	10	20	CDCD	
CNC(=O)[C@H](C)CN(C)Cc1cc(OC)ccc1O	180681633	AEXUKRCSIPDYOM-SNVBAGLBSA-N	266.341	1.215	10	20	CDCD	
COc1cccc(CN2CCC(C)(N)CC2)c1O	704534496	CFGPDZOCQHVTMB-UHFFFAOYSA-N	250.342	1.714	10	20	CDCD	
Cc1ccc(C(=O)N2CCSC[C@H]2C)c(O)c1O	182485493	NFUIXHPPMZPKSZ-SECBINFHSA-N	267.350	1.984	10	20	CDCD	
CC[C@@](C)(CCO)NC(=O)c1ccc(C)c(O)c1O	183001377	GYNRROZAIUPEPK-AWEZNQCLSA-N	267.325	1.687	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)COC(F)F	353398007	YYXIDRYGDKXIQG-UHFFFAOYSA-N	286.278	1.717	10	20	CDCD	
Cc1cc(C(=O)NC[C@@H](O)C2CC2)c(C)n1-c1ccccn1	268445229	UUQHNCZVANTMCA-OAHLLOKOSA-N	299.374	1.990	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N2CC(C(C)(C)O)C2)cc1	275580087	YZMLZEQEOPWVLO-UHFFFAOYSA-N	291.395	1.665	10	20	CDCD	
CCn1c(SCC(=O)C(C)=O)nnc1-c1ccccn1	289510937	CHKZZGIGWJMKJW-UHFFFAOYSA-N	290.348	1.610	10	20	CDCD	
CC(C)OC[C@@H](CO)N(C)Cc1ccccc1O	809768342	IONFNQTYLLQXGU-CYBMUJFWSA-N	253.342	1.610	10	20	CDCD	
CCOc1ccc(O)c(CN2CC(=O)N[C@@H](C)C2)c1	295074496	RISWBRGSJMKRAW-JTQLQIEISA-N	264.325	1.111	10	20	CDCD	
CS[C@H](C)CN1C(=O)CN(Cc2ccccc2O)C1=O	819168222	NHWFHFFXLDCRAE-SNVBAGLBSA-N	294.376	1.908	10	20	CDCD	
Oc1ccc(CCNc2cncc3ncnn23)cc1O	811811215	PMJKGVQPMUVJDJ-UHFFFAOYSA-N	271.280	1.190	10	20	CDCD	
C[C@H](NC[C@H](N)c1ccc(N(C)C)cc1)[C@H]1CCCCN1	817943855	WAYZRDNYXANXQP-RRQGHBQHSA-N	290.455	1.873	10	20	CDCD	
CCOC(=O)C1(CNC(=O)c2c(F)ccc(O)c2O)CC1	828748278	FGPGVZXOHKGTEL-UHFFFAOYSA-N	297.282	1.310	10	20	CDCD	
CN(C)c1ccc(CN(C)C2(CO)CC2)cc1F	827904245	XUOSWDOFRFEQHB-UHFFFAOYSA-N	252.333	1.848	10	20	CDCD	
Oc1ccccc1CN1CCC[C@H](n2ccnn2)C1	822503335	GIEYHEWFZZZLRY-ZDUSSCGKSA-N	258.325	1.821	10	20	CDCD	
CCOc1ccc(O)c(CNC[C@@H]2CCOC[C@H]2OC)c1	824708982	LQHGQQTZDPVIKQ-BLLLJJGKSA-N	295.379	1.932	10	20	CDCD	
COC[C@H]1COCCN1Cc1cc(C)cc(OC)c1O	902561912	DGOGYZLIDDLJDR-ZDUSSCGKSA-N	281.352	1.556	10	20	CDCD	
Cc1ccc(C(=O)NC[C@H]2CC[C@H](C)O2)c(O)c1O	837282816	MMPLSTMILMZNMO-VHSXEESVSA-N	265.309	1.704	10	20	CDCD	
O=C(NCCC1(CO)CC1)c1c(F)ccc(O)c1O	839786631	PBNZFMSEKSOMEA-UHFFFAOYSA-N	269.272	1.129	10	20	CDCD	
CCO[C@@H](CC)C(=O)NC[C@H](N)c1ccc(N(C)C)cc1	832279859	MAAIJOIRBIZEOT-GJZGRUSLSA-N	293.411	1.684	10	20	CDCD	
CCC[C@H](O)CCNC(=O)/C=C/c1ccc(O)c(O)c1	832660793	GJGDDNGTLWBLAO-PZBABLGHSA-N	279.336	1.778	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN[C@H](C)[C@@H]1CN(C)CCO1	840935874	DIRFJLWZPQIGMD-PBHICJAKSA-N	291.439	1.870	10	20	CDCD	
C[C@H]1C[C@H](CN)CN1Cc1ccc(N2CCOCC2)cc1	843056793	AEMIBZTVUVKROJ-GOEBONIOSA-N	289.423	1.692	10	20	CDCD	
Cc1noc([C@@H](C)N(C)C(=O)c2cc(O)cs2)n1	848391970	RSUWALXCLWNUGN-ZCFIWIBFSA-N	267.310	1.978	10	20	CDCD	
C[C@@H](NC(=O)c1ccccc1)C(=O)NCc1ccccc1O	748353456	ABAJFMWNWHKZMY-GFCCVEGCSA-N	298.342	1.827	10	20	CDCD	
CO[C@@H](C)CS(=O)(=O)NCc1cc(Cl)ccc1O	845996283	NXAQSIWUAWXDII-QMMMGPOBSA-N	293.772	1.500	10	20	CDCD	
COc1ccc(N2CCN(C[C@@H]3CCNC3)CC2)cc1F	844221918	YNMGCSRVJUMINU-CYBMUJFWSA-N	293.386	1.566	10	20	CDCD	
N[C@H]1CCCN(Cc2ccc(N3CCOCC3)c(F)c2)C1	843043914	QCXJGUYXDBWILG-AWEZNQCLSA-N	293.386	1.585	10	20	CDCD	
O=C(O)CN(Cc1ccccc1O)C(=O)[C@@H]1CCSC1	911488831	OEDZLPWIOKMKSU-LLVKDONJSA-N	295.360	1.559	10	20	CDCD	
Cn1nccc1COCc1nc(Cc2ccc(N)cc2)no1	843160042	FPJPREVKAYXASZ-UHFFFAOYSA-N	299.334	1.693	10	20	CDCD	
CN(CCn1cccn1)C(=O)NCCc1ccc(N)cc1	841955480	DQGHUEYIINLKIQ-UHFFFAOYSA-N	287.367	1.349	10	20	CDCD	
CNCCCNCc1cccc(Br)c1O	841042184	MJRXCJVFCJTJHN-UHFFFAOYSA-N	273.174	1.854	10	20	CDCD	
C[C@@H]1CCN[C@H](C(=O)NCCc2ccc(N)cc2)C1	841848118	VOBUHFARUVSFSV-RISCZKNCSA-N	261.369	1.316	10	20	CDCD	
COc1cc(O)c(CNC[C@H](N)C2CC2)cc1OC	841051808	YXTHZNLWPHKYPV-NSHDSACASA-N	266.341	1.236	10	20	CDCD	
COc1cccc([C@H](C)NCc2ncn(C)n2)c1O	846160760	YPCQTPVRWVBRRJ-VIFPVBQESA-N	262.313	1.380	10	20	CDCD	
O=C(NC[C@@H](O)c1ccncc1)c1cc(O)cs1	750540386	ZEHMUJIWFXQMII-SNVBAGLBSA-N	264.306	1.312	10	20	CDCD	
C[C@@H](NCc1nncn1C)c1cc([N+](=O)[O-])ccc1O	756403107	WRDXFGUHMGCFOI-MRVPVSSYSA-N	277.284	1.280	10	20	CDCD	
COc1cccc([C@H](C)NCCO[C@H]2CCOC2)c1O	927083283	KJYDYKRSTGBAHG-RYUDHWBXSA-N	281.352	1.857	10	20	CDCD	
CCN(C)c1ccc([C@@H](C)NCCN2CC[C@H](O)C2)cc1	858600563	XHYMRHQKIMRXLS-PBHICJAKSA-N	291.439	1.860	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)[C@](C)(O)COC)cc1	754991267	SKBYYVUKGSEGDM-MRXNPFEDSA-N	294.395	1.546	10	20	CDCD	
O=C(NCc1ccc(N2CCCC2)cc1)c1cc(O)ncn1	858452889	OWGOPCYGQAGHTG-UHFFFAOYSA-N	298.346	1.712	10	20	CDCD	
CCN(C)c1ccc(CN[C@H]2C(=O)NCC2(C)C)cc1	931653866	IELYBXBCVWKUGT-AWEZNQCLSA-N	275.396	1.757	10	20	CDCD	
Cn1cc(COc2ccc(N3CCCC3)cc2)nn1	761313684	JSRWLEPDDNUHLM-UHFFFAOYSA-N	258.325	1.994	10	20	CDCD	
CCCCN(C)S(=O)(=O)NCc1ccc(O)cc1O	867417241	PAGRWWKJVHZWBE-UHFFFAOYSA-N	288.369	1.164	10	20	CDCD	
Cc1cc(O)c(CN2C[C@@H](CO)[C@@H](CO)C2)cc1C	877765120	YGHKHOBEROPZMM-OKILXGFUSA-N	265.353	1.042	10	20	CDCD	
CCN(CCC(=O)OC)Cc1cc2c(cc1O)OC[C@H]2O	768447884	QPHTZYHWGQFEPR-CYBMUJFWSA-N	295.335	1.203	10	20	CDCD	
COC(=O)N(C)CCN[C@H](C)c1cc(F)ccc1O	701668423	IVBDLDFBYGVLNO-SECBINFHSA-N	270.304	1.880	10	20	CDCD	
CCOC(=O)C1(CNC(=O)c2cc(O)cs2)CC1	771745589	XAOZKDDZNUFQED-UHFFFAOYSA-N	269.322	1.527	10	20	CDCD	
COC[C@@H](C)NC(=O)/C=C/c1ccc(O)c(O)c1	779473723	YXFLRNVPQPVDCL-OTQAPUNGSA-N	251.282	1.262	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NCc2c[nH]nc2C)c1	875094980	BWRRDMOAVHRBCW-UHFFFAOYSA-N	274.324	1.732	10	20	CDCD	
OC[C@@H]1CSCCN1Cc1cc2c(cc1O)OCO2	877780394	PAAOTWPSYNYRBD-SNVBAGLBSA-N	283.349	1.031	10	20	CDCD	
COc1cccc(CN2CCC[C@@H]2CCO)c1O	779201468	FOJVBLVRXGVSQZ-GFCCVEGCSA-N	251.326	1.748	10	20	CDCD	
CC(C)NS(=O)(=O)NCCCSc1nccs1	778627286	RVEIEYWUFMAXFW-UHFFFAOYSA-N	295.455	1.458	10	20	CDCD	
CC[C@H](CO)C(=O)NCc1ccc(N(C)C)cc1	779584855	WPAYAUSCGGVRLT-GFCCVEGCSA-N	250.342	1.387	10	20	CDCD	
Cc1nnc(CNC(=O)/C=C\c2ccc(O)c(O)c2)o1	779500434	PRGUWRURVDRCLQ-HYXAFXHYSA-N	275.264	1.119	10	20	CDCD	
COc1ccc(O)c(CNC(=O)CCc2cnc[nH]2)c1	788663960	YLZZMDDXMHADFW-UHFFFAOYSA-N	275.308	1.373	10	20	CDCD	
COc1ccc(O)c(CNC(=O)NOC[C@@H]2CCOC2)c1	788323498	NETZNUCXZGIEMV-SNVBAGLBSA-N	296.323	1.168	10	20	CDCD	
NC(=O)[C@@H]1CCC[C@@H](C(=O)NCc2ccc(O)c(O)c2)C1	787132199	WHMHYPYSAXBUCT-GHMZBOCLSA-N	292.335	1.006	10	20	CDCD	
COc1ccc(CNC[C@]2(C)CCC(=O)N2)c(O)c1OC	894804761	QIANSTBCGLQSLZ-HNNXBMFYSA-N	294.351	1.168	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)NOCCOC	789347321	SGWLDQFZMPXONJ-UHFFFAOYSA-N	282.340	1.892	10	20	CDCD	
COC(=O)[C@@H]1COCCN1Cc1cc(C)cc(OC)c1O	894021299	UMMUYLCGJQGEPK-LBPRGKRZSA-N	295.335	1.083	10	20	CDCD	
Oc1c(F)cc(F)cc1CN1CC2(CCOC2)C1	894868075	AHFOBXZIQOPKFH-UHFFFAOYSA-N	255.264	1.893	10	20	CDCD	
CCN(C)C(=O)[C@@H](C)N[C@H](C)c1cc(OC)ccc1O	188501324	UDTAXLMLRLNFGU-GHMZBOCLSA-N	280.368	1.918	10	20	CDCD	
CCOC(=O)CN(Cc1ccccc1O)C[C@H](O)C(C)C	1327865399	RAIXGZMALZTNOB-HNNXBMFYSA-N	295.379	1.774	10	20	CDCD	
CCN(C)c1ccc(Cn2cc(C[C@@H](C)O)nn2)cc1	1333537307	PACPTALYJBWCHP-GFCCVEGCSA-N	274.368	1.706	10	20	CDCD	
Cc1ccc(O)c(CNS(=O)(=O)CCOCC2CC2)c1	1331574881	QMCQAFUDEKUCOF-UHFFFAOYSA-N	299.392	1.547	10	20	CDCD	
C[C@@H]1OCCN(C(=O)NCc2ccc(N)cc2)[C@@H]1C	1337070422	QKFHSCRMHZZEDA-MNOVXSKESA-N	263.341	1.588	10	20	CDCD	
C[C@H](NCc1ccc(N)cc1)c1nnnn1C1CC1	1262488079	PMWJILLHEIAYSY-VIFPVBQESA-N	258.329	1.441	10	20	CDCD	
C[C@@H](NCc1ccc(N2CCC(O)CC2)cc1)C(=O)O	1603250991	WLFLPVSPFAOAHB-LLVKDONJSA-N	278.352	1.210	10	20	CDCD	
CC1(C)[C@@H](N)C[C@H]1C(=O)N1Cc2cccc(O)c2C1	1576373446	UGCIUTFXPKNQOW-AAEUAGOBSA-N	260.337	1.608	10	20	CDCD	
CN(C)c1ccc(OCc2cn(C)nn2)cc1C(=O)O	1598328422	LINYDIOMSXLJQA-UHFFFAOYSA-N	276.296	1.158	10	20	CDCD	
CCO[C@@H]1C[C@@H](C(=O)O)N(Cc2ccc(N(C)C)cc2)C1	1776908265	JEOZUVVVMKQLQB-CABCVRRESA-N	292.379	1.817	10	20	CDCD	
CCOCc1cc(CNCC(=O)O)ccc1OC	1776909090	JPCOYNZUANZMCM-UHFFFAOYSA-N	253.298	1.406	10	20	CDCD	
CCN(CC)S(=O)(=O)N(C)Cc1ccccc1O	269807593	QAIFVYNBHDBBPM-UHFFFAOYSA-N	272.370	1.411	10	20	CDCD	
C[C@H]1[C@@H](NCc2ccc3c(c2)CCO3)CCS1(=O)=O	293936621	NWYZMGSFOOQGBP-GWCFXTLKSA-N	281.377	1.287	10	20	CDCD	
Oc1ccc(Cl)cc1CNCCN1CCNCC1	83516278	UFFFPEFZTVSVOX-UHFFFAOYSA-N	269.776	1.040	10	20	CDCD	
COc1ccc(CNC[C@@H]2CN3CCC[C@@H]3CO2)cc1C	112839495	WLZQDQUSSSRVSI-HZPDHXFCSA-N	290.407	1.956	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)c1[nH]nc2c1CNCC2	188390241	QZCJGNSDCOCEFD-UHFFFAOYSA-N	286.335	1.033	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NCCn1cccn1	180975022	BPRMHMITNRBYJM-HWKANZROSA-N	273.292	1.124	10	20	CDCD	
COCC[C@H](C)NC(=O)/C=C/c1ccc(O)c(O)c1	181008712	RGBVOJONUUZZMJ-RWCYGVJQSA-N	265.309	1.652	10	20	CDCD	
C[C@H](N)CCC(=O)N1CCOc2cc(N(C)C)ccc21	193322955	AIJDLJHTBKKHME-NSHDSACASA-N	277.368	1.605	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)C(=O)NCC2CC2)c1	191923360	IAEOFYUERILWRD-SECBINFHSA-N	292.335	1.104	10	20	CDCD	
CCOc1ccc(O)c(CN2C[C@@H](CO)O[C@H](C)C2)c1	191534324	VLVLWRHWAOPQMC-RISCZKNCSA-N	281.352	1.373	10	20	CDCD	
CCOCCCNC(=S)NCc1cccn1C	231647877	NCIFNTCMTMBRKF-UHFFFAOYSA-N	255.387	1.416	10	20	CDCD	
COc1cccc(CNC(=O)c2cnn(C3CC3)c2)c1O	528863409	WCYWBAWRVSKVDA-UHFFFAOYSA-N	287.319	1.862	10	20	CDCD	
c1cc2c(cc1CNC[C@H]1CN3CCC[C@H]3CO1)CCO2	252667603	MFXPTDRNEQZZAP-HOTGVXAUSA-N	288.391	1.574	10	20	CDCD	
CN(C)C(=O)CCCNC(=O)NCc1ccccc1O	263788159	XRGFIXQIFUAVHM-UHFFFAOYSA-N	279.340	1.060	10	20	CDCD	
COC(=O)[C@@H]1COCCN1Cc1ccc(N(C)C)cc1	260205403	VHTNKTXLZAHTAU-AWEZNQCLSA-N	278.352	1.126	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)[C@H]1C[C@]12CCOC2	364929579	ARVSCMCBBBHBOF-YGRLFVJLSA-N	263.293	1.141	10	20	CDCD	
CC[C@@H](N[C@H](CO)c1cnn(C)c1)c1ccccc1O	274812076	YBACIZUZYCQUQB-ZIAGYGMSSA-N	275.352	1.900	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@H]2C[C@@H](O)C2(C)C)c1O	278388528	MQKJSYQOIZZDNU-WDEREUQCSA-N	296.323	1.558	10	20	CDCD	
CCN1CCOC[C@H]1C(=O)N(C)Cc1ccccc1O	378361426	NQBNOWKZOZEXIW-ZDUSSCGKSA-N	278.352	1.071	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@H](O)C(C)C)c1	802783192	IHJFGUAIZLQECS-GFCCVEGCSA-N	253.298	1.034	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCOC[C@@H]1[C@@H]1CCCO1	807688446	KMSVYBNLVVLGTK-MNOVXSKESA-N	283.349	1.474	10	20	CDCD	
COc1cccc(CNC(=O)CSC(F)F)c1O	294826282	HGSMAFFRJOEZQB-UHFFFAOYSA-N	277.292	1.973	10	20	CDCD	
Cn1ncc2ccc(CNC(=O)c3cccc(O)c3O)cc21	812581299	HIYAMNTXGWEQAC-UHFFFAOYSA-N	297.314	1.915	10	20	CDCD	
C[C@@H](NC[C@H]1CCCNC1)c1cc([N+](=O)[O-])ccc1O	817945495	DZAGZONRDYLXQV-MNOVXSKESA-N	279.340	1.951	10	20	CDCD	
C[C@H](NCCN1CCNCC1)c1cc(F)cc(F)c1O	817945127	UYGVIMOTRSUNCM-JTQLQIEISA-N	285.338	1.226	10	20	CDCD	
CN(C[C@H]1CCCN1C)C(=O)/C=C/c1ccc(O)c(O)c1	817676303	CXTAXASIWIERBJ-STMXVASLSA-N	290.363	1.664	10	20	CDCD	
CCOc1ccc(CN[C@H](C)CC(=O)NC)c(O)c1	825068845	YNZIGANSMAWXIQ-SNVBAGLBSA-N	266.341	1.405	10	20	CDCD	
C[C@@H](NC(=O)c1c(F)ccc(O)c1O)C(C)(C)CN(C)C	826069458	YKKIPRUESLNSOD-SECBINFHSA-N	298.358	1.943	10	20	CDCD	
C[C@@H](NC(=O)[C@@H]1CCN(C)C(=O)C1)c1ccccc1O	827923165	KQWXZDKSBDRJRJ-GHMZBOCLSA-N	276.336	1.438	10	20	CDCD	
CCn1nc(C)c(C(=O)N[C@H](C)c2ccccc2O)n1	827952149	HSTRFXXVTBWDRH-SECBINFHSA-N	274.324	1.803	10	20	CDCD	
CC[C@@H](O)CNC[C@@H](c1ccc(N(C)C)cc1)N(C)C	905706314	SXJSPVDXHRHXAR-CVEARBPZSA-N	279.428	1.716	10	20	CDCD	
CC[C@H](N[C@H](C)c1cc(C(=O)OC)ccc1O)[C@H](C)O	834886274	BDXFYSZTYUUJHD-NRUUGDAUSA-N	281.352	1.989	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)NC[C@H]2CCN2C)c1	903318008	OGCQQGQMICWKMR-CMPLNLGQSA-N	278.352	1.534	10	20	CDCD	
CCc1cc(C(=O)NCCc2ccc(N)cc2)cc(O)n1	832659093	LQHTVQNWDKFJKX-UHFFFAOYSA-N	285.347	1.904	10	20	CDCD	
CN(C)c1ccc(CNC[C@H]2CNCCCO2)cc1	841085409	BHZJWGDGXOHNDR-OAHLLOKOSA-N	263.385	1.221	10	20	CDCD	
CC1CCN(C(=O)C(=O)Nc2ccc(N)cc2)CC1	841010533	PIKKNMJMKVNGMA-UHFFFAOYSA-N	261.325	1.466	10	20	CDCD	
CN(C(=O)c1cnn2c1[C@@H](CN)CCC2)c1ccccc1	592478097	WJPKTIIDOAOBLP-GFCCVEGCSA-N	284.363	1.996	10	20	CDCD	
C[C@H]1COC[C@@H]1NC(=O)NCc1ccc(N(C)C)c(F)c1	915366806	UEDLINHRSCPLSS-GWCFXTLKSA-N	295.358	1.726	10	20	CDCD	
NCC[C@@H]1CCCN(Cc2cc3c(cc2O)OCO3)C1	843112049	CUWSVNCTBYMIEC-NSHDSACASA-N	278.352	1.682	10	20	CDCD	
Cc1n[nH]c(C)c1CCC(=O)NCc1ccc(O)cc1O	910951282	QVEVBGFNTNSDLE-UHFFFAOYSA-N	289.335	1.687	10	20	CDCD	
C[C@](O)(CC(=O)NCc1ccc(O)cc1O)C1CC1	910949171	GQPGQKWILZKGPX-AWEZNQCLSA-N	265.309	1.265	10	20	CDCD	
CCCN1CC(=O)N[C@@H]1c1cccc(Cl)c1O	840824408	LCFDSLCBWVLUGS-LBPRGKRZSA-N	254.717	1.886	10	20	CDCD	
Nc1ccc(CCNC(=O)N2C[C@@H]3[C@@H](C2)C3(F)F)cc1	846172352	LKUYCVSHKRVEIV-VXGBXAGGSA-N	281.306	1.718	10	20	CDCD	
Nc1ccc(NC(=O)C(=O)N2C[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2)cc1	841137568	WEOUCOGESQWMOS-GVARAGBVSA-N	299.374	1.712	10	20	CDCD	
CN[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])c(OC)c2O)C1	843048509	DLKTZEWFDYRUIP-LLVKDONJSA-N	295.339	1.493	10	20	CDCD	
CCC[C@H](CC)NC(=O)C(=O)Nc1ccc(N)cc1	841023339	AZAWJEUHTPOWHF-NSHDSACASA-N	263.341	1.902	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)OCCC1OCCCO1	759597314	QUGQYYZCWMNIIN-HWKANZROSA-N	294.303	1.807	10	20	CDCD	
C[C@@H](CO[C@@H]1CCOC1)NC(=O)c1cc(O)cs1	754046074	OLJPBQYPBDCGGS-WCBMZHEXSA-N	271.338	1.378	10	20	CDCD	
Cc1nn(C)cc1CC(=O)N(C)Cc1ccccc1O	857466856	JQMCXHYPVGPTMS-UHFFFAOYSA-N	273.336	1.635	10	20	CDCD	
C[C@H](NC[C@@H](C)S(C)(=O)=O)c1ccc(N(C)C)cc1	697603375	HVSOZVQCFFEXRG-NEPJUHHUSA-N	284.425	1.836	10	20	CDCD	
C[C@@H](NC(=O)NCCN1CCOCC1)c1ccccc1O	864423185	BGFADBULAYQKNT-GFCCVEGCSA-N	293.367	1.085	10	20	CDCD	
CN(C(=O)/C=C/c1ccc(O)c(O)c1)[C@@H]1CCCC[C@H]1O	869922281	BPPJFNZSYZUQGO-SKFMMRCFSA-N	291.347	1.873	10	20	CDCD	
Cc1cccc(O)c1CN(C)CCNC(=O)C(C)C	876815975	FNZUSKOGXKDQLQ-UHFFFAOYSA-N	264.369	1.905	10	20	CDCD	
COc1ccc(N2CCN(C[C@@H](C)OC)CC2)c(OC)c1	877708845	XRFQEVSCFJQLIY-CYBMUJFWSA-N	294.395	1.861	10	20	CDCD	
CC(C)(CO)CNC(=O)/C=C\c1ccc(O)c(O)c1	779538339	VHYURJDJWHVPHT-XQRVVYSFSA-N	265.309	1.246	10	20	CDCD	
C[C@@H](NC[C@@H]1COCCO1)c1c(O)cccc1F	886507570	QIOXIIIEXMQLIN-NXEZZACHSA-N	255.289	1.597	10	20	CDCD	
CCOc1cccc(CN[C@@H](CO)C[C@H]2CCCO2)c1O	886229679	UMORFLDFYAQKFW-ZIAGYGMSSA-N	295.379	1.811	10	20	CDCD	
CC(C)CN1CC(=O)N[C@@H]1c1cc(F)cc(F)c1O	887327104	XBUCVXRLWFOEPE-ZDUSSCGKSA-N	270.279	1.757	10	20	CDCD	
CC[C@H](N[C@H](CO)COC)c1ccc(F)cc1O	796979562	GMOSFRRARKXJMD-PWSUYJOCSA-N	257.305	1.579	10	20	CDCD	
Cc1cc(NC(=O)c2c(F)ccc(O)c2O)n[nH]1	790068809	BIBFOIANZJQBLV-UHFFFAOYSA-N	251.217	1.521	10	20	CDCD	
COc1cccc(CN2C[C@H](C)[S@@](=O)[C@H](C)C2)c1O	792193284	UULCJJLWFNEPID-QEAOQQLJSA-N	283.393	1.742	10	20	CDCD	
CN(C)c1ccc(CN[C@@H](CCC(=O)O)C(=O)O)cc1	75423473	DPXWXKNYYGPGDY-LBPRGKRZSA-N	280.324	1.160	10	20	CDCD	
CCS(=O)(=O)c1ccccc1C(=O)N1CCSCC1	61960467	VGCHKROGMSCPLQ-UHFFFAOYSA-N	299.417	1.669	10	20	CDCD	
C[C@H](NCc1nncn1C)c1cc(F)ccc1O	94617735	RDCQABRKMKAZGS-QMMMGPOBSA-N	250.277	1.511	10	20	CDCD	
COc1cc(N2CCC[C@@H](O)C2)c([N+](=O)[O-])cc1OC	213722368	JKPSLWWSQXOTEH-SECBINFHSA-N	282.296	1.573	10	20	CDCD	
CON1CCC(NCc2cc(F)ccc2O)CC1	692178000	NWWNZLIOFFAFLJ-UHFFFAOYSA-N	254.305	1.647	10	20	CDCD	
COCCN(C)CCN[C@@H](C)c1ccc(N(C)C)cc1	61376766	CVKCGCBDSOINAW-AWEZNQCLSA-N	279.428	1.981	10	20	CDCD	
C[C@H]1COC(C)(C)CN1C(=O)c1cccc(O)c1O	754746549	ZRXYQVJTAKESGL-VIFPVBQESA-N	265.309	1.737	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)Nc1nccnc1C(=O)O	1604231534	AWDNQNPPAOGSRR-QMMMGPOBSA-N	289.291	1.629	10	20	CDCD	
CCC[C@H](O)CN[C@H](C)c1cc(C(=O)O)ccc1O	1605221135	IKHAMXCTCXNKSB-KOLCDFICSA-N	267.325	1.902	10	20	CDCD	
O=C(O)c1cncc(C(=O)NCc2ccc(O)c(O)c2)c1	1610862440	WWWOBGOLHKNDRC-UHFFFAOYSA-N	288.259	1.121	10	20	CDCD	
Cc1cc(O)c(CN2CCO[C@H]([C@@H](C)N)C2)cc1Cl	1579638505	ZTVMHHSFQFLUMJ-YGRLFVJLSA-N	284.787	1.902	10	20	CDCD	
Cc1ccc(C(=O)NCCC(C)(C)N)c(O)c1O	1579661991	BNOWNAJAOFIHBR-UHFFFAOYSA-N	252.314	1.263	10	20	CDCD	
CN(C)c1ccc(OCc2ccn(C)n2)cc1C(=O)O	1598328362	JMBOYMFWJMFLQX-UHFFFAOYSA-N	275.308	1.763	10	20	CDCD	
COc1ccc(N2CCN(C(=O)[C@@H](N)C(C)C)CC2)cc1	11805353	JCLIPRILAXBIRV-HNNXBMFYSA-N	291.395	1.327	10	20	CDCD	
CN(Cc1nc(C(C)(C)N)no1)Cc1ccccc1O	843357277	GSTMXXPBIKSFAW-UHFFFAOYSA-N	276.340	1.601	10	20	CDCD	
CCNC(=O)[C@H](C)NCc1cc(Cl)cc(OC)c1O	228677071	JPZREIBAWFBOAZ-QMMMGPOBSA-N	286.759	1.668	10	20	CDCD	
CNC(=O)[C@@H]1CCCN(Cc2cc(C)c(C)cc2O)C1	118963387	FAURFZADOUOJJG-CYBMUJFWSA-N	276.380	1.967	10	20	CDCD	
COc1ccc(O)c(CNS(=O)(=O)CCCF)c1	119829148	BTDKJYBCOXTMQI-UHFFFAOYSA-N	277.317	1.180	10	20	CDCD	
CN(Cc1ccccc1O)C[C@H](O)COCc1ccco1	305241774	RQMUKXNBQPDZEM-AWEZNQCLSA-N	291.347	1.995	10	20	CDCD	
COc1ccc(N2CCC(NC[C@@H](C)O)CC2)cc1	305080599	QJNQIKUIGUMBIL-GFCCVEGCSA-N	264.369	1.634	10	20	CDCD	
COc1ccc(N2CCN(C/C=C(\C)C(=O)O)CC2)cc1	214611101	YNZSIWYQGPARDC-NTUHNPAUSA-N	290.363	1.848	10	20	CDCD	
C[C@@H](CN1CCN(C)CC1)N[C@H](C)c1ccc(F)cc1O	185392088	IMOJVSFLALTSAO-QWHCGFSZSA-N	295.402	1.818	10	20	CDCD	
O=C(NC[C@@H](O)c1ccccc1F)c1cccc(O)c1O	187161432	XRFHCFCIOGKFGG-CYBMUJFWSA-N	291.278	1.700	10	20	CDCD	
COc1ccc(O)c(CN2CC[C@H](NC(C)=O)C2)c1	228356407	DLEVDSUFSXKDBL-LBPRGKRZSA-N	264.325	1.111	10	20	CDCD	
CCN(CC)c1ccc(CN[C@H](C(=O)OC)[C@H](C)O)cc1	191964117	ZVFWWSCRUNWPRZ-WFASDCNBSA-N	294.395	1.545	10	20	CDCD	
CN(C)CCCNCc1cc2c(cc1O)OCO2	42879309	MISFWTCYCFXSNH-UHFFFAOYSA-N	252.314	1.162	10	20	CDCD	
CCC(=O)NCc1ccc(N2CCOCC2)c(F)c1	48704896	PHVACJKJSUUWJT-UHFFFAOYSA-N	266.316	1.689	10	20	CDCD	
COc1cc(C)cc(CN2CCO[C@@H](C)C2)c1O	192596853	ATJQHQLQJYRZFI-NSHDSACASA-N	251.326	1.930	10	20	CDCD	
Cc1ccc(O)c(CN(C)[C@H]2CCN(S(C)(=O)=O)C2)c1	292791915	MOEXMACMYSOAAL-ZDUSSCGKSA-N	298.408	1.166	10	20	CDCD	
CCC[C@@H](O)CN[C@H](C)c1cc(C(=O)OC)ccc1O	273557797	HHRUNZQETUINHH-ZYHUDNBSSA-N	281.352	1.990	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@H]1CCCN1C1CC1	279763799	FDOCIMSZDARCRL-CQSZACIVSA-N	274.364	1.977	10	20	CDCD	
CCNC(=O)C1(CNCc2cc(F)ccc2O)CCC1	276822568	ATLWPNCTNMFNDV-UHFFFAOYSA-N	280.343	1.927	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2CC[C@](C)(O)C2)c1O	278286787	ULRWVGWNICREGD-ZDUSSCGKSA-N	282.296	1.266	10	20	CDCD	
CC[C@H]1CN(Cc2cc3c(cc2O)OCO3)C[C@H]1O	271238506	BQEXJORRLDADAF-JOYOIKCWSA-N	265.309	1.324	10	20	CDCD	
COc1cc(O)c(CN2C[C@H](OC)[C@H](OC)C2)cc1OC	276815098	FHQMDAUIRRYFKG-GASCZTMLSA-N	297.351	1.255	10	20	CDCD	
CN1CCC(N(C)C(=O)/C=C/c2ccc(O)c(O)c2)CC1	272366495	CVTYEYILMHWZCV-GQCTYLIASA-N	290.363	1.664	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)CNC(=O)O)cc1F	285582249	HILOEWRNZPTNPF-UHFFFAOYSA-N	297.330	1.556	10	20	CDCD	
COCCN1CN(Cc2ccc(N(C)C)c(F)c2)CC1=O	283183701	ZZBQZJJDKJYAIL-UHFFFAOYSA-N	295.358	1.140	10	20	CDCD	
C[C@H]1CC(=O)NCCN1Cc1cccc(Cl)c1O	377890625	WZVCRFKLHMOFSM-VIFPVBQESA-N	268.744	1.756	10	20	CDCD	
C[C@H](Cn1cccn1)NC(=O)NCc1ccccc1O	299467088	BWIBNFZTKDBEAH-LLVKDONJSA-N	274.324	1.477	10	20	CDCD	
CC(C)N(C)C[C@H](C)NCc1cc2c(cc1O)OCO2	380598298	YYTUAZQITGHMGV-NSHDSACASA-N	280.368	1.939	10	20	CDCD	
C[C@@H]1CC(=O)N[C@H](C(=O)N(C)Cc2ccccc2O)C1	293346327	KOBLTLPXQUKLKV-JQWIXIFHSA-N	276.336	1.265	10	20	CDCD	
O=C(NCc1ccccc1O)N[C@H]1CCN2CCCC[C@@H]12	299546561	WLRZPGNSSLTWNK-KBPBESRZSA-N	289.379	1.818	10	20	CDCD	
COC(=O)c1csc(SCC(=O)C(C)=O)n1	814788689	GSESNSZFBXBSRK-UHFFFAOYSA-N	259.308	1.180	10	20	CDCD	
Cc1cc(C(=O)N[C@@H]2CC[C@H]2O)c(C)n1-c1ccccn1	819684131	RIJTUSUINGHAQV-ZIAGYGMSSA-N	285.347	1.742	10	20	CDCD	
Oc1cccc(Cl)c1CN1CCc2nn[nH]c2C1	827884795	IGLYGPQSWPQIRR-UHFFFAOYSA-N	264.716	1.722	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@]2(F)CCNC2)c1	828667026	LTWORGPLZSJPQC-OTYXRUKQSA-N	282.315	1.280	10	20	CDCD	
COc1ncc(/C=C/C(=O)N(C)c2cccnc2)cn1	492652546	PYBMXBTZGNZPAJ-AATRIKPKSA-N	270.292	1.556	10	20	CDCD	
CC(C)CN1CC(=O)N[C@H]1c1cc(C(=O)O)ccc1O	736432391	MKEDPIYWYGOVQM-CYBMUJFWSA-N	278.308	1.177	10	20	CDCD	
CC(=O)N1CCC(COC(=O)c2cc(O)cs2)CC1	734896872	SOYAXQWEQJRYFT-UHFFFAOYSA-N	283.349	1.869	10	20	CDCD	
COc1ccc(O)c(CN[C@@H](CN)CC(C)C)c1	841038663	NJGQLWNCWSDRGS-GFCCVEGCSA-N	252.358	1.864	10	20	CDCD	
COc1cccc(O)c1CNC[C@@H]1CCCCN1	841032634	IKSCPTMROVXYGY-NSHDSACASA-N	250.342	1.633	10	20	CDCD	
O=C(OCc1cc2n(n1)CCC2)c1cccc(O)c1O	845149709	KMNGCOLCGLZDNA-UHFFFAOYSA-N	274.276	1.598	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@@H](C)CCN)c1	841968087	TWGWOCFIOXDXRR-UWVGGRQHSA-N	281.356	1.498	10	20	CDCD	
CNCCCNC(=O)NCc1ccc(N(C)C)c(F)c1	841762034	UFTOHELUEZBPEJ-UHFFFAOYSA-N	282.363	1.300	10	20	CDCD	
O[C@H](CNCc1ccc2c(c1)CCCO2)C1CCOCC1	921760718	JUZJTSHPDYFKKT-MRXNPFEDSA-N	291.391	1.889	10	20	CDCD	
CSCCNC(=S)NCc1ccccc1O	752751933	OTRCRHSHSOBGDM-UHFFFAOYSA-N	256.396	1.719	10	20	CDCD	
C[C@@H]1COC[C@@H]1NCc1cc([N+](=O)[O-])ccc1O	922642988	KFVKISNAIOBTDL-KCJUWKMLSA-N	252.270	1.425	10	20	CDCD	
CC(C)N1CCC[C@H](OC(=O)c2cccc(O)c2O)C1=O	758559661	FJEOVJJITVZLSI-LBPRGKRZSA-N	293.319	1.654	10	20	CDCD	
CC(=O)N1CC[C@@H](NCc2c(O)ccc(Cl)c2F)C1	856811225	CORPEZUNQZNLIU-SECBINFHSA-N	286.734	1.895	10	20	CDCD	
Cc1cc(CNC2(C(N)=O)CCOCC2)ccc1N(C)C	852493031	DAHUFMUVQRFMFH-UHFFFAOYSA-N	291.395	1.185	10	20	CDCD	
C[C@H]1C[C@H](N[C@H](C)CC(N)=O)c2c(O)ccc(F)c21	756659290	COIUSXHYBBFEKV-XKSSXDPKSA-N	266.316	1.933	10	20	CDCD	
CN(C)[C@H]1[C@@H]2CN(C(=O)/C=C/c3ccc(O)c(O)c3)C[C@@H]21	861912855	TYIJIRIXBJIRLT-OGHDWDKZSA-N	288.347	1.129	10	20	CDCD	
CN(C)c1ccc(CN2CCC(OCCO)CC2)cc1F	769537552	LZXPCJVQHAPQOH-UHFFFAOYSA-N	296.386	1.865	10	20	CDCD	
Nc1ccc(-n2cc(CCCN3CCOCC3)nn2)cc1	864619511	FSNPVDKLAULUNI-UHFFFAOYSA-N	287.367	1.114	10	20	CDCD	
Cc1nocc1C(=O)NCc1ccc(N(C)C)cc1	864574888	GZHHTHVUSJRNAC-UHFFFAOYSA-N	259.309	1.979	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ncc[nH]1	935946149	YZYRWPYXJKLCLX-UHFFFAOYSA-N	266.297	1.531	10	20	CDCD	
CN(Cc1ccc(N2CCOCC2)c(F)c1)C1CC(O)C1	761224409	ZZFHXZPTBSPQBI-UHFFFAOYSA-N	294.370	1.617	10	20	CDCD	
O=C(O)[C@H]1C[C@H](NCc2c(O)cccc2Cl)C1	874053196	DTCCWKAGIJADFK-ZKCHVHJHSA-N	255.701	1.998	10	20	CDCD	
COc1cccc(O)c1CN1CCC[C@@H](C(N)=O)C1	771926707	HNLWIWSVCCOQOY-SNVBAGLBSA-N	264.325	1.098	10	20	CDCD	
COc1ccc(CNCc2cc[nH]n2)cc1Cn1cccn1	873044992	AEFDWHNRYKMIJD-UHFFFAOYSA-N	297.362	1.953	10	20	CDCD	
C[C@@H](NC(=O)[C@@H]1CCC(=O)NC1)c1ccc(N(C)C)cc1	773009735	MOMFOHOSGCAVTJ-DGCLKSJQSA-N	289.379	1.456	10	20	CDCD	
O=C(N[C@@H](CO)Cc1ccc(F)cc1)c1cc(O)cs1	778514432	KZHPAAAAVBGNFY-LLVKDONJSA-N	295.335	1.926	10	20	CDCD	
CCOc1ccc(CN2CCN(C)CC2)c(O)c1	771927713	NBDIWELZKNVVNK-UHFFFAOYSA-N	250.342	1.538	10	20	CDCD	
Cc1nn(C)cc1CNC(=O)c1cc(O)cs1	776194726	CSZZHJQYXBHWBH-UHFFFAOYSA-N	251.311	1.426	10	20	CDCD	
Cc1cc(NC(=O)COC(=O)c2cccc(O)c2O)no1	776283081	HANCGRIMXYKWPX-UHFFFAOYSA-N	292.247	1.190	10	20	CDCD	
COCC1(NCc2ccc([N+](=O)[O-])c(OC)c2O)CCC1	793619520	GIWXRKFICMDDCR-UHFFFAOYSA-N	296.323	1.968	10	20	CDCD	
COc1cc(C)cc(CN(C)[C@H](C)C[S@@](C)=O)c1O	894453300	OCNSUYCMGNAMMT-NSPYISDASA-N	285.409	1.908	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)[C@@]12CCCN(CC1)C2	897066458	AFGWLNVFOSCTDR-INIZCTEOSA-N	290.363	1.242	10	20	CDCD	
CCn1ncnc1CN[C@@H](C)c1cc([N+](=O)[O-])ccc1O	794839468	CVTQNJOMLMFXDZ-VIFPVBQESA-N	291.311	1.763	10	20	CDCD	
Cc1cc(C(=O)NCCc2ccc(O)c(O)c2)co1	188774129	QKBZKZBOZZQMIN-UHFFFAOYSA-N	261.277	1.972	10	20	CDCD	
COC[C@H](NC(=O)NCc1ccc(OC)cc1O)C1CC1	793007179	GBZTYRCPTPOPON-ZDUSSCGKSA-N	294.351	1.625	10	20	CDCD	
COc1cccc(O)c1CNC[C@H]1CCCOC1	725847684	QFJFEVXRXBXMSV-LLVKDONJSA-N	251.326	1.917	10	20	CDCD	
C[C@H]1CN(C(=O)NCc2ccc(N)cc2)C[C@@H](C)O1	1338793498	QOZVBNGYELQKSN-PHIMTYICSA-N	263.341	1.588	10	20	CDCD	
COC1(C)CN(c2nnc(-c3sccc3O)n2C)C1	1338748498	CVHJPFGEORONBT-UHFFFAOYSA-N	280.353	1.474	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CCSC[C@H]1CO	1335848213	WXLWDSAPTLWIKA-JRBALWBOSA-N	295.360	1.047	10	20	CDCD	
Cc1cc(NCc2ccc(N(C)C)cc2)nc(CO)n1	1344028528	ACAFTMRXEOSFKC-UHFFFAOYSA-N	272.352	1.955	10	20	CDCD	
C[C@@H](CC(=O)NCc1ccc(N)cc1)[C@H]1CCCNC1	1263303726	GGMAREPVXSKIQJ-JSGCOSHPSA-N	275.396	1.911	10	20	CDCD	
CC1=C(C(=O)NCc2cccc(O)c2O)SCCO1	1263894898	ZSLGBNJIFSTZEK-UHFFFAOYSA-N	281.333	1.709	10	20	CDCD	
O=C(NCc1cccc(O)c1O)[C@H]1CCn2cncc2C1	1347541727	HHKSLNQFARZWJT-JTQLQIEISA-N	287.319	1.173	10	20	CDCD	
Cc1cc(Sc2ncc(C(=O)O)s2)nc(CO)n1	1600303542	PVBLEZGGWRSCMS-UHFFFAOYSA-N	283.334	1.583	10	20	CDCD	
O=C(O)C[C@H](CNC(=O)NCc1ccccc1O)C1CC1	1608666578	LPXBRQFIUDVQEE-GFCCVEGCSA-N	292.335	1.692	10	20	CDCD	
O=C(O)CC1(NCc2cc(F)c(F)cc2O)CC1	1608687884	MTYDRFZOPJBWBM-UHFFFAOYSA-N	257.236	1.767	10	20	CDCD	
CCN(c1ccc(/C=C/C(=O)O)cc1[N+](=O)[O-])[C@@H](C)CO	1610003962	FTZGLENDKUMARA-STUBTGCMSA-N	294.307	1.900	10	20	CDCD	
COCC[C@@](C)(O)CNCc1ccc(OC)c(C)c1	227216194	OWXZOVQQKPCQJH-OAHLLOKOSA-N	267.369	1.881	10	20	CDCD	
CCCN(C(=O)/C=C\c1ccc(O)c(O)c1)[C@H](C)C(=O)O	1595817971	ZBGQHHURFPYTAL-ONRRBMGISA-N	293.319	1.823	10	20	CDCD	
C[C@@H]1CN(Cc2ccc(F)c(F)c2O)C[C@H]1C(=O)O	1599866795	VORLXKQOTKWABB-VXNVDRBHSA-N	271.263	1.823	10	20	CDCD	
C[C@H](N[C@H](C)C[S@@](C)=O)c1cc(F)ccc1O	168869542	AXZXMKAQIQBIGX-NMIRZEMHSA-N	259.346	1.949	10	20	CDCD	
COc1cccc(CN[C@H](C)C(=O)NC(C)(C)C)c1O	134493192	ZTXDYQIXWWSLIX-SNVBAGLBSA-N	280.368	1.794	10	20	CDCD	
Cc1cccc(O)c1CN(C)CCN1CCOCC1	876680167	AMUUISNBFHCUMZ-UHFFFAOYSA-N	264.369	1.465	10	20	CDCD	
CCS(=O)(=O)C[C@@H](C)NCc1ccc(C)cc1O	877029141	SYAMYDHMPHPWPQ-LLVKDONJSA-N	271.382	1.613	10	20	CDCD	
CCOc1cccc(CN2CC[C@](C)(CN)C2)c1O	311889799	DBAWCXHRWYJRSN-OAHLLOKOSA-N	264.369	1.962	10	20	CDCD	
COc1cccc(CN2CC[C@@]3(CCN(C)C3)C2)c1O	312742355	VODJJJJNDCHQEQ-MRXNPFEDSA-N	276.380	1.928	10	20	CDCD	
C[C@@H](NC[C@@]1(O)CCN(C)C1)c1ccc(F)cc1O	702652495	LISNYEKQHCAJRX-YGRLFVJLSA-N	268.332	1.249	10	20	CDCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2N[C@@H]1COCC[C@H]1O	710860555	LMRRBRQHJDERLM-YVECIDJPSA-N	277.364	1.988	10	20	CDCD	
Nc1ccc(OC2CN(C(=O)c3ccco3)C2)cc1	409425104	JYXZGNZEACZIMG-UHFFFAOYSA-N	258.277	1.765	10	20	CDCD	
CN1c2ccccc2C(=O)N[C@H]1c1ccc(O)c(O)c1	301583335	WUQJYIOEQJAACD-CQSZACIVSA-N	270.288	1.976	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)[C@H]2CCC(=O)N2)cc1	170934426	UQTBKAFLQQWQMH-CQSZACIVSA-N	289.379	1.428	10	20	CDCD	
Cc1cc(O)c(CN2C[C@@H](C(N)=O)O[C@H](C)C2)cc1C	120249598	PKRGHGZXXJAHJW-RISCZKNCSA-N	278.352	1.084	10	20	CDCD	
CCC[C@@H](NC(N)=O)C(=O)NCc1ccc(N(C)C)cc1	126865325	VZYJPKVATJWFAJ-CYBMUJFWSA-N	292.383	1.206	10	20	CDCD	
COc1ccc(O)c([C@H](C)NCC(OC)OC)c1	37566527	NINBGIVKYBIMGJ-VIFPVBQESA-N	255.314	1.670	10	20	CDCD	
COCCN(Cc1ccccn1)C(=O)Cc1ccc(N)cc1	315524292	FIFBYDLPDRPWOO-UHFFFAOYSA-N	299.374	1.882	10	20	CDCD	
CC[C@@H](N)C(=O)NCc1ccc(N2CCOCC2)c(F)c1	129744636	DYZJXMDYRUXNKN-CYBMUJFWSA-N	295.358	1.016	10	20	CDCD	
COCCCN(CCO)Cc1cc(F)cc(C(C)=O)c1O	189923511	MLKJTLZZMXYBOP-UHFFFAOYSA-N	299.342	1.565	10	20	CDCD	
CCCN(CC(=O)O)Cc1cccc(OC)c1O	86775862	TUVWGDQPFMVQIQ-UHFFFAOYSA-N	253.298	1.697	10	20	CDCD	
CN(Cc1cccc(Cl)c1O)Cc1nncn1C	290059739	FDOWXWFICYDNNR-UHFFFAOYSA-N	266.732	1.806	10	20	CDCD	
Nc1ccc(CC(=O)N2CCO[C@@H]([C@@H]3CCCO3)C2)cc1	237893973	VINIHMHXAYLYRW-LSDHHAIUSA-N	290.363	1.218	10	20	CDCD	
C[C@@H]1C[C@H](NC[C@H]2COCCN2)c2c(O)ccc(F)c21	530222008	FLKUPMQSUGYZLY-SCVCMEIPSA-N	280.343	1.658	10	20	CDCD	
Nc1ccc(CCNC(=O)CN2CCSC2=O)cc1	269150088	OXMHCQFZDZHXDR-UHFFFAOYSA-N	279.365	1.096	10	20	CDCD	
COc1ccc(O)c(CN(C)[C@H](C)CN2CCOCC2)c1	279352446	GGXTWTPSHLIQIS-CYBMUJFWSA-N	294.395	1.553	10	20	CDCD	
C[C@H](NCCCC(=O)N(C)C)c1cc([N+](=O)[O-])ccc1O	273588255	OJRIPJGNCDICRV-JTQLQIEISA-N	295.339	1.819	10	20	CDCD	
C[C@H](NC[C@@H](O)C1CCOCC1)c1ccccc1O	272900316	UYLMZRSTROEWSA-XHDPSFHLSA-N	265.353	1.830	10	20	CDCD	
C[C@H](COCC(F)(F)F)NC(=O)c1cccc(O)c1O	280419419	IAZDNIMCWRDMLP-SSDOTTSWSA-N	293.241	1.795	10	20	CDCD	
CCOc1ccc(O)c(CN(C)CCN(C)C)c1	289779944	LBTQFRGVJDRAHS-UHFFFAOYSA-N	252.358	1.784	10	20	CDCD	
CC(C)Cn1ncnc1COC(=O)c1cccc(O)c1O	801311352	JQDHFBCNHILMNF-UHFFFAOYSA-N	291.307	1.702	10	20	CDCD	
COCC1(O)CN(Cc2ccc(N3CCCCC3)cc2)C1	297330852	DXTZMAHBDLTWLH-UHFFFAOYSA-N	290.407	1.870	10	20	CDCD	
CCCN1CCC[C@H]1CNC(=O)c1cccc(O)c1O	804776627	DJGHXISPINVQHV-NSHDSACASA-N	278.352	1.702	10	20	CDCD	
CCOCCN(C)C(=O)c1c(F)ccc(O)c1O	297542872	QCAZDPDZDSFLSR-UHFFFAOYSA-N	257.261	1.345	10	20	CDCD	
CC[C@@H](CS(=O)(=O)Nc1ccc(O)cc1F)OC	817356448	LNTPNWUFONOMRS-VIFPVBQESA-N	277.317	1.698	10	20	CDCD	
COCCOCCN(C)C(=O)c1ccc(C)c(O)c1O	813885114	OMJVJGLDOURHGG-UHFFFAOYSA-N	283.324	1.141	10	20	CDCD	
CCOc1ccc(O)c(CN[C@@H]2CCC(=O)N(C)C2=O)c1	818233395	LMUIBXPPLZCXPF-GFCCVEGCSA-N	292.335	1.028	10	20	CDCD	
CO[C@@H](C(=O)NCc1ccc(O)cc1O)C1CC1	824230671	HFRARYBLECASHL-GFCCVEGCSA-N	251.282	1.139	10	20	CDCD	
O=C(O)NCCC(=O)NCCCSc1nccs1	738657306	MPDZDALGMQETCO-UHFFFAOYSA-N	289.382	1.399	10	20	CDCD	
CC1(C)CN(CCNC(=O)c2cc(O)cs2)CCO1	732283744	VDHRYLJRZZDCPT-UHFFFAOYSA-N	284.381	1.294	10	20	CDCD	
CN(C)C1(C(=O)NCc2c(O)ccc3c2CCCC3)CC1	830559700	STNWAXALCVVPQP-UHFFFAOYSA-N	288.391	1.981	10	20	CDCD	
CN(CCN1CCCC1)C(=O)c1cc(O)cs1	732286265	DHYNDEOODKIDHB-UHFFFAOYSA-N	254.355	1.622	10	20	CDCD	
CO[C@@H](C1CC1)[C@@H](C)NC(=O)c1c(F)ccc(O)c1O	839787689	RSKKQGHICWNCTO-FUXBKTLASA-N	283.299	1.780	10	20	CDCD	
CC[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)[C@@H](C)O	836862973	PESYLTUVNFBIKA-IWUOWKGWSA-N	265.309	1.387	10	20	CDCD	
CCOC[C@H](O)CN(C)CCN(C)c1ccc(OC)cc1	844401822	RTWBEMNHYPXTGP-OAHLLOKOSA-N	296.411	1.461	10	20	CDCD	
CCOc1ccc(CN2CCO[C@@H]([C@@H](C)N)C2)c(O)c1	843057039	FOBBUMIEQGLBFN-IAQYHMDHSA-N	280.368	1.339	10	20	CDCD	
C[C@H](CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1)C(=O)O	848581611	AYFDUUXIAQHNOM-GHMZBOCLSA-N	293.367	1.834	10	20	CDCD	
C[C@@H](CC(C)(C)O)NC(=O)NCCc1ccc(N)cc1	841956233	ZKIVQKCDISIPFZ-NSHDSACASA-N	279.384	1.660	10	20	CDCD	
Nc1ccc(NC(=O)C(=O)NCCC2CCC2)cc1	841064266	XEHPOQUNWXLRFQ-UHFFFAOYSA-N	261.325	1.514	10	20	CDCD	
CN(Cc1cccc(Br)c1O)[C@@H]1CCNC1	843049166	HESULECETVKOHB-SNVBAGLBSA-N	285.185	1.948	10	20	CDCD	
CN(C[C@H]1CCC[C@H]1O)C(=O)NCCc1ccc(N)cc1	841956572	CBPCMNGLZMPJCE-UKRRQHHQSA-N	291.395	1.614	10	20	CDCD	
CN(C)c1ccc([C@@H](N)CNCc2cc[nH]n2)cc1	841044325	VZHCFSVZHGVYLP-AWEZNQCLSA-N	259.357	1.265	10	20	CDCD	
N[C@@H](CNCc1cc2c(cc1O)OCO2)c1ccccc1	841034816	CZNPQGHYNHARIR-ZDUSSCGKSA-N	286.331	1.911	10	20	CDCD	
C[C@H](CO)N(C)c1ccc(/C=C\C(=O)O)cc1[N+](=O)[O-]	844210124	ONQKIVCDKYKTAW-XTULLQBASA-N	280.280	1.510	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2CC[C@@H](N)[C@H](C)C2)c1O	843052047	PAGJPOKFCZGIDL-MWLCHTKSSA-N	295.339	1.478	10	20	CDCD	
CCN(CC)CCNC(=O)NCCc1ccc(N)cc1	841609135	RQSVDBWNJCWJII-UHFFFAOYSA-N	278.400	1.452	10	20	CDCD	
CCn1nccc1/C=C1\SC(N2CCOCC2)=NC1=O	753713568	ZHGXUMNRJNHGBE-LUAWRHEFSA-N	292.364	1.206	10	20	CDCD	
NCc1ccc2c(c1)CCCN2C[C@@H](O)Cn1cccn1	923286693	LLMHKPTYRZENMN-OAHLLOKOSA-N	286.379	1.156	10	20	CDCD	
COc1cccc([C@@H](C)NCCN2CC[C@@H](O)C2)c1O	858547674	IDKNLCPWCLOYET-VXGBXAGGSA-N	280.368	1.118	10	20	CDCD	
COC[C@@H]1NC(=O)N(Cc2ccc(N(C)C)cc2C)C1=O	761362140	ZKKFNYPJLXKDFZ-ZDUSSCGKSA-N	291.351	1.128	10	20	CDCD	
COc1cc(CN(C)[C@@H]2CCOC2)c(O)cc1C	768452063	NTUCBCFBRNMIFM-GFCCVEGCSA-N	251.326	1.930	10	20	CDCD	
CC[C@@H]1NC(=O)N(Cc2ccc(N3CC=CC3)cc2)C1=O	761363180	RECOJORUYQCUIH-AWEZNQCLSA-N	285.347	1.893	10	20	CDCD	
OCC[C@]1(NCc2cc(Cl)cc(F)c2O)CCOC1	775203037	AIRFGONISAVLCY-ZDUSSCGKSA-N	289.734	1.816	10	20	CDCD	
C[S@@](=O)CCNCc1ccc(N2CCC(O)CC2)cc1	877050800	FCGYEUVLMWJPGR-HXUWFJFHSA-N	296.436	1.116	10	20	CDCD	
C[C@@H](OC[C@H]1CCCO1)C(=O)N(C)c1ccc(N)cc1	877078421	PJWJEWSDWPRUCL-BXUZGUMPSA-N	278.352	1.816	10	20	CDCD	
CN(C)c1ccc(CN2C[C@H](O)C[C@@]2(C)CO)cc1	878984629	VYLQBCXTOIMZLC-CABCVRRESA-N	264.369	1.070	10	20	CDCD	
Cc1n[nH]cc1CNC(=O)/C=C\c1ccc(O)c(O)c1	779501324	XIRWBFCVNYIYEZ-HYXAFXHYSA-N	273.292	1.459	10	20	CDCD	
CS(=O)(=O)C1CCC(C(=O)Nc2ccc(N)cc2)CC1	884009300	RZTIGTKQRKQVRD-UHFFFAOYSA-N	296.392	1.811	10	20	CDCD	
CCCN(CCO)Cc1cc(C)cc(OC)c1O	893893162	CZPCRQLAQSZOJL-UHFFFAOYSA-N	253.342	1.914	10	20	CDCD	
C[C@H]1C[C@H](O)CN1Cc1ccc(N(C)C)c(F)c1	788270866	UPYKLCCRVYYTIV-JQWIXIFHSA-N	252.333	1.847	10	20	CDCD	
COc1ccc(CN[C@H](C)c2nc(C)no2)c(O)c1OC	893972683	LNIZLFYAZYILPO-MRVPVSSYSA-N	293.323	1.952	10	20	CDCD	
COc1ccc(CN2CCN(C)[C@@H](C)[C@H]2C)c(O)c1OC	893668984	JGGHFSJALJQDCU-NWDGAFQWSA-N	294.395	1.934	10	20	CDCD	
COc1cc(C)cc(CNC2CCOCC2)c1O	894195897	ONECDUQPCXELLT-UHFFFAOYSA-N	251.326	1.978	10	20	CDCD	
Cc1nc([C@@H](C)NCc2cc(F)cc(F)c2O)n[nH]1	708389590	MHWPQYWUPBVIAU-ZCFIWIBFSA-N	268.267	1.948	10	20	CDCD	
CCCN(CC(=O)N(C)C)Cc1cc(F)cc(F)c1O	708434092	OPYIZSDRZQKPTP-UHFFFAOYSA-N	286.322	1.971	10	20	CDCD	
COC[C@H](NC(=O)c1cccc(O)c1O)C1CC1	193145010	WIJPFBHEXMDXTP-JTQLQIEISA-N	251.282	1.253	10	20	CDCD	
C[C@@H](NC(=O)[C@H]1CNCCC1(F)F)c1ccccc1O	877256380	ULUDRPRHAVBZAA-MWLCHTKSSA-N	284.306	1.814	10	20	CDCD	
COC1CN(Cc2ccc(Br)cc2O)C1	1333908503	OVCUMEHGYPNIDO-UHFFFAOYSA-N	272.142	1.985	10	20	CDCD	
CCC(=O)N1CC[C@@H](NC(=O)NCc2ccc(N)cc2)C1	1336067322	SXIBFDWZMAYZOL-CYBMUJFWSA-N	290.367	1.079	10	20	CDCD	
CCOc1ccc(N2CCN(CC[C@@H](C)O)CC2)cc1	1347097968	NEVDPICRIMEVJN-CQSZACIVSA-N	278.396	1.978	10	20	CDCD	
COC[C@@H](NC(=O)NCc1ccc(N)cc1)[C@H]1CCCO1	1346429705	QYOULVJLVZDNLH-ZIAGYGMSSA-N	293.367	1.262	10	20	CDCD	
CCCOc1ccc(CNC[C@@H](O)C(=O)O)cc1C	1262163786	HQNHLFQREMLBCH-GFCCVEGCSA-N	267.325	1.319	10	20	CDCD	
C[C@](O)(C(=O)NCc1cccc(O)c1O)C1CCC1	1263894883	ZDGOGCXVWHPXLJ-CQSZACIVSA-N	265.309	1.265	10	20	CDCD	
C[C@H](CN)N(C)Cc1ccc(N2CCN(C)CC2)c(F)c1	1345944913	WQATUFIOKTWMBP-CYBMUJFWSA-N	294.418	1.357	10	20	CDCD	
Cc1cc(O)c(CN2C[C@@H](O)C[C@H]2C(=O)O)cc1C	1607698615	AZLGNXGDMKFTCA-RYUDHWBXSA-N	265.309	1.029	10	20	CDCD	
O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1Cc2cccc(O)c2C1	1607001710	YDCFSRUTLBUJRE-UHFFFAOYSA-N	296.290	1.056	10	20	CDCD	
CC(=O)C(=O)CSc1ccc(-c2nn[nH]n2)cc1	1609061712	SFEQTMOCOXBOGM-UHFFFAOYSA-N	262.294	1.117	10	20	CDCD	
Oc1cc2c(cc1CNC[C@H]1CCSC1)OCO2	228552004	ARSWUDKYIHFWKD-SECBINFHSA-N	267.350	1.964	10	20	CDCD	
N[C@H](CC(=O)NCc1ccccc1O)Cc1ccccc1	1580405542	UDQDHNINIAMCMW-HNNXBMFYSA-N	284.359	1.969	10	20	CDCD	
CN(C)c1ccc(OCOC(=O)C2CC2)cc1C(=O)O	1598328487	ORWUOYFQWPGOMH-UHFFFAOYSA-N	279.292	1.740	10	20	CDCD	
CO[C@H]1CN(Cc2ccc(N(C)C)cc2)[C@@](C)(C(=O)O)C1	1777172848	GWALMUZYXWAFBO-GDBMZVCRSA-N	292.379	1.817	10	20	CDCD	
CCN1CCCc2cc(CNC[C@H](OC)C(=O)O)ccc21	1776875502	LCUZDZLODJLACG-HNNXBMFYSA-N	292.379	1.648	10	20	CDCD	
CO[C@@H](CNCc1ccc(N(C)C)cc1)CC(=O)O	1777148122	MHBPFWXGWSJOOF-CYBMUJFWSA-N	266.341	1.332	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCCO2)c1	152374022	WDWFPWAMKIXOCS-ZANVPECISA-N	265.309	1.757	10	20	CDCD	
CC[C@@H](NCCNC(=O)c1ccn[nH]1)c1ccccc1O	157914510	JRPBJFOPCLGIJM-GFCCVEGCSA-N	288.351	1.586	10	20	CDCD	
CCCN1CC[C@H](NCc2c(O)cccc2OC)C1	850394935	JGVMVWQDOWTMGK-LBPRGKRZSA-N	264.369	1.975	10	20	CDCD	
CNC(=O)C1CCN(Cc2ccc(C)cc2O)CC1	876554519	BUORQJUKAXCNNV-UHFFFAOYSA-N	262.353	1.659	10	20	CDCD	
Cc1cccc(O)c1CN1CCC(NS(C)(=O)=O)CC1	876556309	PBLUEBLCLOWIKV-UHFFFAOYSA-N	298.408	1.214	10	20	CDCD	
COCC1=CCN(C(=O)c2cccc(O)c2O)CC1	167732333	XQQAEYSJXRBLER-UHFFFAOYSA-N	263.293	1.517	10	20	CDCD	
CN1CC=C(CNCc2cc3c(cc2O)OCO3)CC1	271832811	PENMZJOBTPYGBC-UHFFFAOYSA-N	276.336	1.472	10	20	CDCD	
CCOc1cccc(CNCCCS(C)(=O)=O)c1O	38047182	DLWFZPNFFSYCRK-UHFFFAOYSA-N	287.381	1.315	10	20	CDCD	
Cc1ccc(O)c([C@@H](C)NCC2(S(C)(=O)=O)CC2)c1	281241252	VEXODIKJAAIXCG-LLVKDONJSA-N	283.393	1.928	10	20	CDCD	
COCC[C@H](CO)N[C@@H]1CCc2cccc(O)c21	296618231	YZVASYJXAWVAGV-VXGBXAGGSA-N	251.326	1.367	10	20	CDCD	
O[C@]1(CNCc2ccc3c(c2)CCO3)CCSC1	304682153	ZVYSKBLMJVYDCO-AWEZNQCLSA-N	265.378	1.579	10	20	CDCD	
COCC[C@@H](C)NC(=O)NCc1cc(OC)ccc1O	114593762	IVOCYDDNITWWFE-SNVBAGLBSA-N	282.340	1.625	10	20	CDCD	
COC[C@@H]1CCCN(C(=O)c2ccc(C)c(O)c2O)C1	179496945	ZHVOHEJVBKXZJX-LLVKDONJSA-N	279.336	1.905	10	20	CDCD	
Cc1nc(NCCc2ccc(O)c(O)c2)c2cnn(C)c2n1	174991720	FVZOTSMHRTZJGE-UHFFFAOYSA-N	299.334	1.738	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@@H](CO)C1	304271543	HNJHWBYDAITOEF-CYBMUJFWSA-N	291.395	1.585	10	20	CDCD	
O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc[nH]1	65420403	AJMHTSJOWTWERZ-UHFFFAOYSA-N	285.347	1.781	10	20	CDCD	
CCCCN1CC(=O)N[C@H]1c1cc(F)ccc1O	77476172	XCXKBSHBYFXKBM-CYBMUJFWSA-N	252.289	1.762	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)[C@H]1C[C@H]1C1CC1	122542437	QACFHSNTSYWLNB-RYUDHWBXSA-N	261.321	1.803	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC[C@H](O)CSC)c1	188224470	LEQDZOKPCXRVIX-UWVGGRQHSA-N	271.382	1.775	10	20	CDCD	
O=C(COCC(F)(F)F)NCCc1ccc(O)c(O)c1	156675822	RUBHCUQDRHZPNB-UHFFFAOYSA-N	293.241	1.335	10	20	CDCD	
C[C@@H](Cn1ccnc1)NC(=O)N(C)Cc1ccccc1O	47028333	IDDQKOGNNSSHIA-LBPRGKRZSA-N	288.351	1.819	10	20	CDCD	
Cn1nnc(CN2CCCc3cc(OC(F)F)ccc32)n1	193465651	JPIWRFJKFMBFAP-UHFFFAOYSA-N	295.293	1.764	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@]1(C)CCCOC1	274898851	FSPAHPLROADKSY-BDJLRTHQSA-N	293.363	1.962	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@](C)(O)C2CC2)cc1	288442522	SKYGQFYDEWSSQJ-HNNXBMFYSA-N	262.353	1.530	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@@H]1OC[C@H]2COCC[C@@H]21	289787495	JWPSIPQDESOTAC-VNHYZAJKSA-N	291.347	1.402	10	20	CDCD	
C[C@@H](CN(C)C)NC(=O)NCc1ccc(N(C)C)c(F)c1	806636040	YZFNLEHPFHLEMH-NSHDSACASA-N	296.390	1.641	10	20	CDCD	
CC(=O)N[C@H]1CCN(Cc2ccc(N(C)C)c(C)c2)C1	817280716	KSMODJGVRCKGAK-HNNXBMFYSA-N	275.396	1.771	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC[C@@H]2CCCN2)c1	817951213	BRHAIEXKJJUAMF-MNOVXSKESA-N	250.342	1.803	10	20	CDCD	
C[C@@H](NC1CC1)C(=O)NCCCSc1nccs1	829527835	HACPPMAHPUAJPA-SECBINFHSA-N	285.438	1.882	10	20	CDCD	
Nc1ccc(NC(=O)C(=O)N2C[C@H]3CCC[C@H]2C3)cc1	906733216	RFSXTKFQTGBYOI-GWCFXTLKSA-N	273.336	1.608	10	20	CDCD	
COC(=O)[C@]1(C)CCCN(C(=O)c2cc(O)cs2)C1	839917995	PVQDLDKRKALMFZ-CYBMUJFWSA-N	283.349	1.869	10	20	CDCD	
CN1CCN(c2ccc(CN(C)C3CC(N)C3)cc2)CC1	843125640	ZRJAJDVNPVQSBU-UHFFFAOYSA-N	288.439	1.360	10	20	CDCD	
COc1cc([C@H]2NC(=O)CN2C)c(O)c(C(C)(C)C)c1	849182793	NLIDWYQVNUERAQ-AWEZNQCLSA-N	278.352	1.759	10	20	CDCD	
N[C@@H]1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)C1	841709470	GWDQAPBNPNLECD-CQSZACIVSA-N	288.395	1.529	10	20	CDCD	
CCOc1ccc(O)c(CNCCS(=O)(=O)C2CC2)c1	840964169	JRYRBUTYAMNSOI-UHFFFAOYSA-N	299.392	1.458	10	20	CDCD	
C[C@H]1CN(C(=O)NCCc2ccc(N)cc2)CCO1	841955511	FLLRTHZGVSMBKE-NSHDSACASA-N	263.341	1.242	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNCC1(O)CCOCC1	840931592	HZLZFNRXIAIEIJ-UHFFFAOYSA-N	278.396	1.692	10	20	CDCD	
C[C@H](N[C@@H]1CCc2c(nnn2C)C1)c1cc(F)ccc1O	848562493	DTDFSVJMBHREPS-GXSJLCMTSA-N	290.342	1.868	10	20	CDCD	
C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(N)cc2)C[C@@H]1C	841081146	VQCZSYAAVJVBMD-MNOVXSKESA-N	275.352	1.712	10	20	CDCD	
O=C(NC[C@H]1CCC[C@@H](O)C1)c1cc(O)cs1	748319634	FLSUFCQWBZZVFW-DTWKUNHWSA-N	255.339	1.735	10	20	CDCD	
O=[N+]([O-])c1ccc(O)c(CNCCO[C@H]2CCOC2)c1	922939423	OOJYACZKTLASNB-LBPRGKRZSA-N	282.296	1.196	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)N[C@H](C)c2nc(C)no2)c1	858283054	XCHYMWRDUGNKLD-SECBINFHSA-N	290.323	1.952	10	20	CDCD	
N[C@]12CCC[C@@H]1CN(Cc1cc(F)ccc1O)C2	857226574	RQWLKAKLISWQHU-RISCZKNCSA-N	250.317	1.845	10	20	CDCD	
CCn1cc(CNC(=O)NCc2ccccc2O)nn1	852538443	GCNVOICPNOSNIN-UHFFFAOYSA-N	275.312	1.003	10	20	CDCD	
Cc1ccc(O)c(CNCc2cnc(N(C)C)n2C)c1	858239784	TWHVDRYHBUDREL-UHFFFAOYSA-N	274.368	1.790	10	20	CDCD	
C[C@@H](NC[C@@H]1COCCN1)c1cc(F)cc(F)c1O	863544674	BEENQJCWRIRBDK-PSASIEDQSA-N	272.295	1.309	10	20	CDCD	
CC(C)OC[C@H](CO)N(C)C(=O)c1cc(O)cs1	762920987	OELYVNZNJYADLM-VIFPVBQESA-N	273.354	1.312	10	20	CDCD	
CN1CCN(C(=O)/C=C\c2cn(C)cn2)c2ccccc21	932529587	STLGDDMPPNOPSS-FPLPWBNLSA-N	282.347	1.916	10	20	CDCD	
O=C(Nc1c(Cl)ccc2nonc12)[C@@H]1C[C@H]1[N+](=O)[O-]	1117954817	HCXJQSGVHFIATN-CLZZGJSISA-N	282.643	1.480	10	20	CDCD	
Cc1cccc(O)c1CNCc1ccnc(N(C)C)n1	877136272	AZOUUAQQALQILZ-UHFFFAOYSA-N	272.352	1.846	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN[C@@H]1CCNC(=O)CC1	873052320	OFSHVTJPKMFATB-AWEZNQCLSA-N	275.396	1.819	10	20	CDCD	
CC1CCN(c2ccc(CNC(=O)C(N)=O)cc2)CC1	874445876	OLQLDYPGDVMVHJ-UHFFFAOYSA-N	275.352	1.024	10	20	CDCD	
Cc1ccc(CN2C[C@@H](CO)OC(C)(C)C2)c(O)c1	877595243	WAIGHKFZEBAEDY-ZDUSSCGKSA-N	265.353	1.672	10	20	CDCD	
CCCN1CC(=O)N[C@H]1c1cc(C)cc(OC)c1O	887329975	USVKPNNWBCRDGF-CQSZACIVSA-N	264.325	1.550	10	20	CDCD	
CCO[C@H](CC)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	773739846	FJXSUIUNGYDURB-IINYFYTJSA-N	281.352	1.960	10	20	CDCD	
COc1ccc(CNCCNC(=O)[C@@H](C)SC)cc1C	1123948688	CRJIFBFNTUDRJX-GFCCVEGCSA-N	296.436	1.961	10	20	CDCD	
Cc1cc(C(=O)N[C@H]2CNC(=O)C2)c(C)n1-c1ccccn1	779367164	KSXHKBPYUXBXFT-GFCCVEGCSA-N	298.346	1.107	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cnco1	773768729	ZGJHWRNHHAMFQY-QMMMGPOBSA-N	262.265	1.447	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)N[C@@H]2CC[C@H](C(=O)O)C2)c1	1121815328	HEYBSJXHNYFUBE-CMPLNLGQSA-N	292.335	1.753	10	20	CDCD	
CC(C)N1CCN(Cc2ccc(N(C)C)c(F)c2)CC1=O	780791895	CXHZRCCXFMWFRN-UHFFFAOYSA-N	293.386	1.944	10	20	CDCD	
C[C@@H]1CN(Cc2c(O)cccc2Br)C[C@@H]1O	897679382	JUAXSUKOIDRTFR-PELKAZGASA-N	286.169	1.967	10	20	CDCD	
COc1cc(C)cc(CN2C[C@H](C)O[C@H](CO)C2)c1O	894539061	WZZMQDOWAVJWKE-AAEUAGOBSA-N	281.352	1.291	10	20	CDCD	
COc1cc(C)cc(CN[C@@H](CO)c2cnn(C)c2)c1O	894366010	JJXPQITUZYDGFJ-ZDUSSCGKSA-N	291.351	1.266	10	20	CDCD	
CCOC(=O)c1cnc(SCCN(C)C)s1	390477821	JYMJZUPRLJMLPI-UHFFFAOYSA-N	260.384	1.974	10	20	CDCD	
CN(C)c1ccc(CN(C)[C@@H]2CCS(=O)(=O)C2)cc1	102675096	MSWZRKFSFCCRTF-CQSZACIVSA-N	282.409	1.372	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CCN(C)C(=O)C2)c1O	84205823	ZOHZELLFHCLJRJ-UHFFFAOYSA-N	280.299	1.008	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C[C@H]1CCOC1	774752439	PZJWUFYHSZFULD-GFCCVEGCSA-N	262.353	1.988	10	20	CDCD	
COc1cccc([C@@H](C)NC[C@@H](C)C(=O)O)c1O	1604857059	MRGTTYAKCDBBLL-RKDXNWHRSA-N	253.298	1.772	10	20	CDCD	
CN(C)c1cc(F)c(CN2CC[C@H](C(=O)O)C2)cc1F	1593710576	HMKKSJPWXCLSPN-VIFPVBQESA-N	284.306	1.937	10	20	CDCD	
COC[C@H](NCc1c(O)ccc(Cl)c1F)C(=O)O	1777184617	GFQIAKJKROMTPS-QMMMGPOBSA-N	277.679	1.374	10	20	CDCD	
CC(=O)N[C@@H](C(=O)NCc1ccc(N(C)C)cc1)C(C)C	15134895	IEROQGGNBPXFBB-OAHLLOKOSA-N	291.395	1.530	10	20	CDCD	
CC[C@](C)(CC(=O)OC)NC(=O)Cc1ccc(N)cc1	162770212	FRTGSVBZIKHCGQ-OAHLLOKOSA-N	278.352	1.659	10	20	CDCD	
COC(=O)[C@]1(F)CCN(Cc2cc(OC)c(C)cc2O)C1	160338842	NRQGTTBJXKPFDQ-HNNXBMFYSA-N	297.326	1.796	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2O)c(O)c1O	163686334	RZBWGOGOWZVJSZ-NXEZZACHSA-N	251.282	1.049	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)[C@H](C)N)cc1F	167741567	HZIQQARRVPDBGG-JTQLQIEISA-N	267.348	1.635	10	20	CDCD	
CC1CCN(c2ccc(CNC(=O)CN)cc2)CC1	167862417	AHJROHMVYHLTON-UHFFFAOYSA-N	261.369	1.498	10	20	CDCD	
CC(C)[C@H]1CN(C)CCN1C(=O)Cc1ccc(N)cc1	843489721	KZIZHRHJJDRZFC-OAHLLOKOSA-N	275.396	1.610	10	20	CDCD	
COc1cc(N(C)CC[C@H](C)O)cc(OC)c1OC	827883014	ANLSWUAJAHNNJD-JTQLQIEISA-N	269.341	1.920	10	20	CDCD	
C[C@]1(C(=O)NCCc2ccc(O)c(O)c2)CCCCO1	837480078	DWIONPPDKZMUPM-OAHLLOKOSA-N	279.336	1.716	10	20	CDCD	
COc1ccc(CNCCS(=O)(=O)C2CC2)cc1C	840965088	XLZCWRSBVYLQKE-UHFFFAOYSA-N	283.393	1.670	10	20	CDCD	
CN(C(=O)[C@H]1CCCN(C(N)=O)C1)c1ccc(N)cc1	702085576	AZBFTGQDBMATTC-JTQLQIEISA-N	276.340	1.022	10	20	CDCD	
CCN1C[C@H](NCc2cc(Cl)cc(OC)c2O)CC1=O	391649071	WBUREIQPBQNTPX-LLVKDONJSA-N	298.770	1.765	10	20	CDCD	
CO[C@@H]1COC[C@@H]1N[C@H](C)c1cc(F)ccc1O	840826794	VXZNWLJLSFSXRG-YDEJPDAXSA-N	255.289	1.596	10	20	CDCD	
CN[C@H]1CCN(C(=O)NCc2ccc(N(C)C)cc2)C1	841656145	WTURSAUSZRYWGI-ZDUSSCGKSA-N	276.384	1.256	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)CCn1cncn1	170732071	BEROWXUCTJREIX-UHFFFAOYSA-N	288.351	1.813	10	20	CDCD	
COc1ccnc(NCc2cccc(OC)c2O)n1	301173763	YKUBQOWGFPHICI-UHFFFAOYSA-N	261.281	1.812	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(O)nn1	22763877	KNJNMKLHNOMILX-UHFFFAOYSA-N	286.335	1.520	10	20	CDCD	
COC[C@@H](CCO)NCc1c(O)cccc1Cl	219128201	GCFXAEXKEROSTA-SECBINFHSA-N	259.733	1.533	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@H]1C[C@]12CCOC2	368092768	LVEOBGBGIHDNOP-DOMZBBRYSA-N	261.321	1.777	10	20	CDCD	
NC(=O)COc1cccc(NC(=O)Cc2ccc(N)cc2)c1	315660681	ORTPJBIOMJABGW-UHFFFAOYSA-N	299.330	1.314	10	20	CDCD	
CCCN(Cc1ccccc1O)[C@H]1CC(=O)N(C)C1=O	282842882	CSZQNDNHXMPEHF-LBPRGKRZSA-N	276.336	1.362	10	20	CDCD	
CCOC(=O)N1CC[C@@H](NCc2ccc3c(c2)CCO3)C1	185779863	XWDUCUUMFQSBEG-CQSZACIVSA-N	290.363	1.942	10	20	CDCD	
c1cn(CCNCc2ccc(N3CCOCC3)cc2)cn1	41063269	VFMDEVZOUFJABQ-UHFFFAOYSA-N	286.379	1.510	10	20	CDCD	
CN(C)c1ccc(CN[C@@]2(C(=O)O)CCSC2)cc1	284320870	TWEFFRHSLMLDAU-AWEZNQCLSA-N	280.393	1.803	10	20	CDCD	
COc1cccc(/C=C2\SC(=S)N(C)C2=O)n1	190394155	PQRIBTINYHWJDG-VURMDHGXSA-N	266.347	1.921	10	20	CDCD	
COC(=O)[C@H]1CC[C@@H](NCc2cccc(OC)c2O)C1	193496033	HEZFFIGVOXXOGX-CMPLNLGQSA-N	279.336	1.832	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N(CCO)CC(F)F	194381654	FPCUCGPGXJSDQW-DUXPYHPUSA-N	287.262	1.197	10	20	CDCD	
CC(=O)N[C@H]1CCN(Cc2c(O)cccc2Cl)C1	228356396	WQKTXPQOJYDDIM-JTQLQIEISA-N	268.744	1.756	10	20	CDCD	
C[C@@H]1CN(Cc2cc(F)ccc2O)C[C@H](CO)O1	191528104	ZKWDGRYFFMKPII-BXKDBHETSA-N	255.289	1.113	10	20	CDCD	
COc1ccc(O)c([C@H](C)N[C@H]2CCCNC2=O)c1	50394279	XNLKMBWUAPFTLI-CABZTGNLSA-N	264.325	1.330	10	20	CDCD	
Oc1cc2c(cc1CN1CCOC[C@H]1C1CC1)OCO2	93645788	GZACLNFTYJEBCS-LBPRGKRZSA-N	277.320	1.732	10	20	CDCD	
COC(=O)[C@@H]1[C@@H](O)CCCN1Cc1ccc(N(C)C)cc1	249247604	BGTGUNVUAKPHLT-GJZGRUSLSA-N	292.379	1.251	10	20	CDCD	
COC[C@@H](CN[C@@H]1CCc2cccc(O)c21)OC	296604394	XXZRNLOOFOXEQG-VXGBXAGGSA-N	251.326	1.631	10	20	CDCD	
Cc1nccnc1C(=O)N1CCOc2cc(N(C)C)ccc21	611658644	XIKBSGPUCRFFIS-UHFFFAOYSA-N	298.346	1.890	10	20	CDCD	
CN(C)c1ccc(CNC[C@H](O)C2CC2)cc1F	265096341	PXZBHKGCWJMPPI-AWEZNQCLSA-N	252.333	1.752	10	20	CDCD	
C[C@H](NCc1ccc(N(C)C)c(F)c1)c1ncnn1C	276761564	UVYSBOVUCPFBEO-JTQLQIEISA-N	277.347	1.871	10	20	CDCD	
CC[C@H](O)CCN[C@@H](C)c1cc(C(=O)OC)ccc1O	273590540	PCCNTBPVNIQQIV-JQWIXIFHSA-N	281.352	1.990	10	20	CDCD	
COc1cccc(CNC(=O)CC2(OC)CCC2)c1O	276678442	FPBKEYRPZGACSD-UHFFFAOYSA-N	279.336	1.976	10	20	CDCD	
CC(=O)C(=O)COC(=O)c1ccc(Cl)c(N)c1	808487709	GMIORUHTZDJHOH-UHFFFAOYSA-N	255.657	1.237	10	20	CDCD	
C[C@H]1CSC[C@@H]1NC(=O)NCc1ccccc1O	805790560	BDQJMFNMVYOJCA-ONGXEEELSA-N	266.366	1.943	10	20	CDCD	
COc1ccc(CNC(=O)[C@@H]2O[C@@H](C)C[C@H]2C)c(O)c1	800559631	GSNULUPQXRRZPZ-ISTVAULSSA-N	279.336	1.831	10	20	CDCD	
COc1ccc(N2CC[C@@H](CN[C@H](C)CCO)C2)cc1	818342236	NNVDYIHQZSXGLQ-KGLIPLIRSA-N	278.396	1.882	10	20	CDCD	
COCCNCCN[C@H]1C[C@H](C)c2c(F)ccc(O)c21	817964471	DVXUNRRJAUCTSY-JQWIXIFHSA-N	282.359	1.905	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)NC[C@@H]2CCCCN2)c1	817949689	MIWYUKGWTWESNZ-YPMHNXCESA-N	292.379	1.972	10	20	CDCD	
CN(Cc1cn(C)nn1)Cc1cc(F)ccc1O	827305307	PXGZBHIKFFHOEW-UHFFFAOYSA-N	250.277	1.292	10	20	CDCD	
CC(C)N(CC(=O)O)Cc1ccc(N2CCOCC2)cc1	820015471	VZNJRYQUQLVGER-UHFFFAOYSA-N	292.379	1.818	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCN([C@H]2CCC[C@@H]2O)CC1	732289057	KCHSRGOZQXIVOT-RYUDHWBXSA-N	296.392	1.125	10	20	CDCD	
CCO[C@H](C)C(=O)NC[C@H](N)c1ccc(N(C)C)cc1	832300116	MHKUMRSDOCSVQZ-RISCZKNCSA-N	279.384	1.294	10	20	CDCD	
O=C(O)C1CCN(C(=O)c2cc(O)cs2)CC1	738543844	CQZHSTYICGJVGC-UHFFFAOYSA-N	255.295	1.391	10	20	CDCD	
COC(=O)[C@H]1CNCCCN1Cc1cccc(Cl)c1O	843123998	SYGMJZWVJYPARD-GFCCVEGCSA-N	298.770	1.383	10	20	CDCD	
CCN(CC(=O)O)Cc1ccc(N(C)C)c(C)c1	846265135	AOXODBAJUVCECG-UHFFFAOYSA-N	250.342	1.968	10	20	CDCD	
CN[C@@H](C)C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1	848431539	XXWVXFPSSMOENE-QWHCGFSZSA-N	291.395	1.246	10	20	CDCD	
COc1ccc(CNC(=O)CCCC(=O)O)c(O)c1	843331878	FUSBNBMCVIRSPY-UHFFFAOYSA-N	267.281	1.272	10	20	CDCD	
CCc1cccc(CN2CCN(CCCCO)CC2)c1O	848885287	SFBVEVUJMXYQJL-UHFFFAOYSA-N	292.423	1.845	10	20	CDCD	
CC[C@@H](CSC)N(C)C(=O)C(=O)Nc1ccc(N)cc1	841111415	OGBVLBWAZOBYHK-LBPRGKRZSA-N	295.408	1.807	10	20	CDCD	
CN(C)CCNC(=S)NCc1cc(Cl)ccc1O	844584183	PYNPQNBECJWHNM-UHFFFAOYSA-N	287.816	1.571	10	20	CDCD	
CCNC(=O)N1CC[C@H](NCc2cccc(CC)c2O)C1	848898276	SHLXMYJXQSIEDJ-AWEZNQCLSA-N	291.395	1.848	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@H]2CC[C@@H]2C(N)=O)cc1F	847405859	SZMLSKIBDKRUHN-QWRGUYRKSA-N	293.342	1.019	10	20	CDCD	
Nc1ccc(CCN[C@@H]2[C@@H]3C[C@H]4[C@H](CN[C@H]42)C3)cc1	925690130	FEUUPGQEUXOCFD-RHMLRGBNSA-N	257.381	1.397	10	20	CDCD	
C[C@H]1COC[C@@H]1N1C(=O)CN(Cc2ccccc2O)C1=O	925212540	SRGZCZDXKAQFJW-JQWIXIFHSA-N	290.319	1.191	10	20	CDCD	
CCNC(=O)NC(=O)[C@H](C)N(C)c1ccc2c(c1)OCO2	756653347	HUWPGCMSSLYQCZ-VIFPVBQESA-N	293.323	1.086	10	20	CDCD	
Cc1noc(C(=O)NCc2c(O)ccc3c2CCCC3)n1	865944954	NNTGIYBBYBPHAJ-UHFFFAOYSA-N	287.319	1.892	10	20	CDCD	
C[C@@H](NC[C@]1(O)CCN(C)C1)c1cc([N+](=O)[O-])ccc1O	762788749	QLRDZGWSYLPOIA-QMTHXVAHSA-N	295.339	1.018	10	20	CDCD	
O=C(NCc1ccc(F)cn1)c1cc(O)cs1	764342266	FMUGIFSOOFEAIP-UHFFFAOYSA-N	252.270	1.918	10	20	CDCD	
CNC(=S)NCc1cccc(Br)c1O	765992602	MDMKAQYQUYDYLZ-UHFFFAOYSA-N	275.171	1.749	10	20	CDCD	
CCC[C@H](O)C(=O)N[C@@H](C)c1cc(OC)ccc1O	934940319	LEVCEKZZGIMHSA-ZANVPECISA-N	267.325	1.739	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)CCCn2cccn2)c1	862758856	OIOPMNAPAPTNTH-UHFFFAOYSA-N	273.336	1.994	10	20	CDCD	
COc1cccc(O)c1CN1CCC2(CCNC2=O)CC1	877783181	IFPYPSIFJARYNH-UHFFFAOYSA-N	290.363	1.503	10	20	CDCD	
C[C@@H](NC(=O)c1cnn(C)c1N)c1ccc(N(C)C)cc1	775402380	DXBZPMKCHUPKKQ-SNVBAGLBSA-N	287.367	1.559	10	20	CDCD	
C[C@H]1CN(CCN[C@H](C)c2c(O)cccc2F)CCO1	886524828	RWLCZWBVRFKWIU-NWDGAFQWSA-N	282.359	1.903	10	20	CDCD	
CN(C)c1noc(CNCc2ccc(N(C)C)c(F)c2)n1	789556088	NVLROACJSHVWMV-UHFFFAOYSA-N	293.346	1.631	10	20	CDCD	
O=C(c1c(F)ccc(O)c1O)N1CC[C@@H](N2CCCC2)C1	789973534	HPFPHJHNFCSQFP-SNVBAGLBSA-N	294.326	1.547	10	20	CDCD	
CC(C)S(=O)(=O)CCNCc1cc(F)ccc1O	386378516	SVINAVAEOLRSHN-UHFFFAOYSA-N	275.345	1.444	10	20	CDCD	
C[C@H]1CCN(Cc2cc(F)cc(F)c2O)[C@@H](C(N)=O)C1	894500431	NZTXTKRVQXLQKR-QPUJVOFHSA-N	284.306	1.756	10	20	CDCD	
C[C@H](CNC(=O)c1c(F)ccc(O)c1O)Cn1cccn1	789956208	DICRKQXXANOKAP-SECBINFHSA-N	293.298	1.500	10	20	CDCD	
C[C@@H](C(=O)N(C)Cc1ccccc1O)[C@@H](C)S(C)(=O)=O	788284191	ULUSUGJMVDOVHR-GHMZBOCLSA-N	299.392	1.420	10	20	CDCD	
COc1ccc(CN[C@H](C)C[C@@H](C)O)c(O)c1OC	893505452	MRNAWQMNHPVPGN-NXEZZACHSA-N	269.341	1.658	10	20	CDCD	
c1cc(N2CCOCC2)ccc1CNC1CSC1	701974241	YXNNYMILZNXLDK-UHFFFAOYSA-N	264.394	1.728	10	20	CDCD	
COc1ccc(CNC(=O)NCC[C@@H](C)OC)c(O)c1	792913373	TTWHLJOLQONNMW-SNVBAGLBSA-N	282.340	1.625	10	20	CDCD	
O=C(O)[C@@H](NCc1ccc(Cl)cc1O)C1CC1	1601674111	JESJXZVJUPHKIL-NSHDSACASA-N	255.701	1.998	10	20	CDCD	
Nc1ccc(CNC(=O)N2CCc3ncncc3C2)cc1	1338794082	XWANGTOSXHMGEM-UHFFFAOYSA-N	283.335	1.327	10	20	CDCD	
Cn1ccnc1CCNC(=O)c1cc(O)cs1	1347713187	ZOXNSHFWNGNEAI-UHFFFAOYSA-N	251.311	1.160	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CCN(C)[C@H](C)C2)c1O	110727198	OAECOJZUTJUWJS-SNVBAGLBSA-N	280.343	1.870	10	20	CDCD	
O=C(N[C@H]1C[C@H]2C[C@H](C(=O)O)C[C@@H]12)c1cccc(O)c1O	1601576308	RULMRBISXJPZEF-MKHNBGRSSA-N	291.303	1.327	10	20	CDCD	
C[C@H]1NCC[C@@H]1NCc1cc([N+](=O)[O-])ccc1O	1579505245	RLASEBAQLZPZSN-KCJUWKMLSA-N	251.286	1.140	10	20	CDCD	
COc1ccc(CN(C)CCC(=O)O)c(O)c1OC	1594092246	UDFLAPXMVDXUFD-UHFFFAOYSA-N	269.297	1.316	10	20	CDCD	
CN(CCN1CCCCC1)C(=O)c1cccc(O)c1O	846614458	OJRHAZGTTVUAQN-UHFFFAOYSA-N	278.352	1.656	10	20	CDCD	
COc1ccc(O)c([C@H](C)NCC[C@@H]2CCNC2=O)c1	846843779	HBPXTILCGFCXLC-WDEREUQCSA-N	278.352	1.578	10	20	CDCD	
COCCOCCCNCc1cc2c(cc1O)OCO2	42879558	LLDRBKHEPJDXKY-UHFFFAOYSA-N	283.324	1.264	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CC(OCC(F)F)C1	707269892	HVPLRTPJVSFORY-UHFFFAOYSA-N	273.235	1.204	10	20	CDCD	
CCc1cccc(CNC[C@@H]2CCCS2(=O)=O)c1O	691452485	KEHKCAQNMJLWOD-ZDUSSCGKSA-N	283.393	1.621	10	20	CDCD	
COc1ccc(CNCC(=O)N(C)OC)cc1C	397526736	IYRMBORXOUALKW-UHFFFAOYSA-N	252.314	1.113	10	20	CDCD	
CNC(=O)CNC(=O)c1sccc1-n1c(C)ccc1C	54127046	KTEQORGIKMIAQI-UHFFFAOYSA-N	291.376	1.631	10	20	CDCD	
CCCNC(=O)CNCc1ccc(N2CCOCC2)cc1	35134120	MIFOBRDZVBQPOU-UHFFFAOYSA-N	291.395	1.139	10	20	CDCD	
O=C1OC[C@@H]2CN(Cc3cc(F)ccc3O)CCN12	361053744	SMWLWRZDWGQCKK-NSHDSACASA-N	266.272	1.168	10	20	CDCD	
C[C@@H](NC(=O)c1cccc(O)c1O)[C@@H]1CCOC1	126569008	LDAJDXXEWZQKKM-RKDXNWHRSA-N	251.282	1.253	10	20	CDCD	
CCCCOCC(=O)N[C@H](C)Cc1ccc(O)c(O)c1	183451282	WTOGIIUWNWLIHL-LLVKDONJSA-N	281.352	1.962	10	20	CDCD	
Cc1cc(CC(=O)NCc2ccc(N(C)C)c(F)c2)n[nH]1	130040371	ODKFJXAZLIAMDT-UHFFFAOYSA-N	290.342	1.782	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)C(C)(C)O)c1	191858045	FESUGHPSGOJQCM-QMMMGPOBSA-N	253.298	1.349	10	20	CDCD	
Oc1cccc(Cl)c1CNC[C@H]1COCCN1	530180630	DMGZCFDWXDDLIM-VIFPVBQESA-N	256.733	1.124	10	20	CDCD	
CCC[C@@](C)(O)CNCc1cc([N+](=O)[O-])ccc1O	264883911	VEZRQTIWIHCVHE-CYBMUJFWSA-N	268.313	1.941	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)NC[C@H](C)O)c1	273414921	QQYNLWZFHLLOCC-IUCAKERBSA-N	253.298	1.210	10	20	CDCD	
CC(C)CNC(=O)COc1ccc(N(C)C)cc1	277929576	UDEHWASCYVEEIN-UHFFFAOYSA-N	250.342	1.904	10	20	CDCD	
Cc1ccc(O)c(CN2CC[C@H](N3CCCC3=O)C2)c1	276826884	QCGRISUASALMBT-AWEZNQCLSA-N	274.364	1.897	10	20	CDCD	
OC[C@H](CNCc1cc(F)ccc1O)[C@@H]1CCOC1	280443723	CUYBVYUFPQLSBZ-PWSUYJOCSA-N	269.316	1.266	10	20	CDCD	
CC[C@@H]1NCC[C@@H]1C(=O)NCCc1ccc(N)cc1	295322664	ZDELAMZRMYKOQI-KBPBESRZSA-N	261.369	1.316	10	20	CDCD	
O=C(CCc1cncnc1)NCc1ccccc1O	815833491	PKLMCLYPWAKPGR-UHFFFAOYSA-N	257.293	1.431	10	20	CDCD	
C[C@H](NC[C@H](N)c1ccc(N(C)C)cc1)c1ncc[nH]1	817941845	LCKYBLWHGQPJNW-FZMZJTMJSA-N	273.384	1.826	10	20	CDCD	
COc1cccc(O)c1CN(CC(F)F)C[C@H](C)O	825099468	ZYGZADUPVJMWTJ-VIFPVBQESA-N	275.295	1.849	10	20	CDCD	
CN(C)CCn1ccc(NC(=O)c2cc(O)cs2)n1	732280660	NYCQIEJMTGEFTK-UHFFFAOYSA-N	280.353	1.464	10	20	CDCD	
CC[C@@H](C)NC(=O)[C@@H](C)OC(=O)c1cc(O)cs1	732353525	SMYXLSTYKTTWLD-HTQZYQBOSA-N	271.338	1.914	10	20	CDCD	
C[C@H](NC[C@H]1CCCN1CCCO)c1ccccc1O	834851298	WPRVBAMOLFVRGZ-UONOGXRCSA-N	278.396	1.890	10	20	CDCD	
COCCN1CCC[C@@H](NC(=O)c2cc(O)cs2)C1	732288579	DPDZSTYKSJEPIQ-SNVBAGLBSA-N	284.381	1.294	10	20	CDCD	
CCN(C)c1ccc(CN2C[C@@H](O)[C@H](OC)C2)cc1	832011751	BDBVIJXUEFOVRH-HUUCEWRRSA-N	264.369	1.334	10	20	CDCD	
CCOC(=O)NCCC(=O)NCc1cc(OC)ccc1O	734016882	LCVXEXOCOKDYMH-UHFFFAOYSA-N	296.323	1.153	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)NCc1cc[nH]n1	734661101	DZMPGPJZZLGYLK-UHFFFAOYSA-N	287.367	1.784	10	20	CDCD	
CCCCCCNC(=O)C(=O)Nc1ccc(N)cc1	841000873	VWIJKZFCBZLERK-UHFFFAOYSA-N	263.341	1.904	10	20	CDCD	
Cc1cc(O)c(CN[C@H]2CCN(S(C)(=O)=O)C2)cc1C	846034372	ORPKTWCOHKFIJD-ZDUSSCGKSA-N	298.408	1.133	10	20	CDCD	
COc1cccc([C@H](C)NCCN2CCCC2=O)c1O	846204697	ASTVQORKDPUDLY-NSHDSACASA-N	278.352	1.674	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC[C@@]1(O)CCO[C@H]1C	840940948	OSTQOMVYDCHZDQ-BBRMVZONSA-N	278.396	1.691	10	20	CDCD	
OC[C@H]1CN(Cc2c(O)cccc2Cl)CC[C@@H]1O	840975405	NIHIBYALHUKRDC-SKDRFNHKSA-N	271.744	1.221	10	20	CDCD	
CCN1C[C@H](CNCc2cc(F)ccc2O)CC1=O	846097605	SRTUJJQIOGCOBG-JTQLQIEISA-N	266.316	1.489	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N[C@@H]2CCNC2)cc1F	841760287	JUPQZBWVQLMVHG-LLVKDONJSA-N	280.347	1.053	10	20	CDCD	
CC1(COC(=O)/C=C/c2ccc(O)c(O)c2)COC1	759590614	XNMQUFVMBPLVDD-HWKANZROSA-N	264.277	1.691	10	20	CDCD	
CCN1CCC[C@H](NCc2ccc(N(C)C)c(F)c2)C1=O	922639132	IJHUDIJTHTXAAQ-AWEZNQCLSA-N	293.386	1.992	10	20	CDCD	
O=C(N[C@H]1CCN(c2ccccn2)C1)c1cc(O)cs1	753842644	PIZPWHSCBFHFBT-JTQLQIEISA-N	289.360	1.857	10	20	CDCD	
C[C@@H](NC[C@H](O)CN(C)C)c1cc(Cl)ccc1O	756554882	JVKLLICYMFTDSO-KOLCDFICSA-N	272.776	1.619	10	20	CDCD	
Cc1ccc(O)c(CNC[C@@H](C)S(C)(=O)=O)c1	697620679	NJEZFIIQALVHIV-SNVBAGLBSA-N	257.355	1.223	10	20	CDCD	
COC[C@@](C)(NCc1ccc(OC)c(C)c1)C(=O)OC	930154315	CAOMEDVDNHTHAP-OAHLLOKOSA-N	281.352	1.671	10	20	CDCD	
C[C@@H](NC(=O)NOC[C@@H]1CCOC1)c1ccccc1O	868531664	COOZMXVQLLBGFO-GHMZBOCLSA-N	280.324	1.721	10	20	CDCD	
COc1ccc2c(c1)CCCN2Cc1cn(C)nn1	761642618	UOSOJVJWVMBQCM-UHFFFAOYSA-N	258.325	1.777	10	20	CDCD	
Cc1cc(NC(=O)CN(C)c2ccc(N)cc2)n(C)n1	863558852	ZWLVEJSDCCXYPW-UHFFFAOYSA-N	273.340	1.386	10	20	CDCD	
C[C@@H](NC(=O)[C@@H]1CCNC(=O)C1)c1ccc(N(C)C)cc1	773009158	KPBRLXPSHDBMJW-DGCLKSJQSA-N	289.379	1.456	10	20	CDCD	
COc1ccc(O)c(C(=O)NCc2ccc(O)c(O)c2)c1	778922900	LZNJRBWYITYYAA-UHFFFAOYSA-N	289.287	1.742	10	20	CDCD	
C[C@H](NC(=O)[C@@H]1CCOC1)c1ccc(N(C)C)cc1	773018011	LATJQJDSIQCUHG-WCQYABFASA-N	262.353	1.966	10	20	CDCD	
O=C(NCc1ccccc1O)N[C@H]1CCCC12OCCO2	888016756	XZFLSPWIPWOWRG-ZDUSSCGKSA-N	292.335	1.487	10	20	CDCD	
COc1cc(N2CC(C(C)(C)O)C2)c([N+](=O)[O-])cc1OC	780658480	IRTVZDGPNGGAFQ-UHFFFAOYSA-N	296.323	1.819	10	20	CDCD	
CCOc1cccc(CN2C[C@@H](O)[C@H](C)C2)c1O	897684051	JXGBVSSGDVOKPB-ZYHUDNBSSA-N	251.326	1.604	10	20	CDCD	
COc1ccc(CNC[C@H](O)C2CC2)c(O)c1OC	894458468	SAOFBSHETWNSAQ-NSHDSACASA-N	267.325	1.270	10	20	CDCD	
COc1ccc(CNC(=O)NCCN(C)C(C)C)c(O)c1	792913836	XKIKTASXMBQOOR-UHFFFAOYSA-N	295.383	1.540	10	20	CDCD	
O=C(O)c1cc(NS(=O)(=O)c2ccoc2)ccc1O	794759223	HDGLZZPXUNGNRH-UHFFFAOYSA-N	283.261	1.484	10	20	CDCD	
C[C@H]1C[C@@H](C)CN(S(=O)(=O)NCc2ccccc2O)C1	751150303	AMRDBFFUGTVARH-TXEJJXNPSA-N	298.408	1.705	10	20	CDCD	
C[C@@H]1CO[C@H](CO)CN1Cc1c(O)ccc(Cl)c1F	792173051	QDJACLMNPSTQAW-BDAKNGLRSA-N	289.734	1.766	10	20	CDCD	
CCn1ncnc1CNCc1cccc(Cl)c1O	793346947	WCGMYHPMOSOQQI-UHFFFAOYSA-N	266.732	1.947	10	20	CDCD	
O=C(O)CC[C@@H](NCc1ccc2c(c1)CCCO2)C(=O)O	1262383880	MVISAEZSGGYNCR-GFCCVEGCSA-N	293.319	1.419	10	20	CDCD	
CCOCCNC(=O)NCc1cc(C)ccc1O	1351331251	QINDLVMBGLVWBF-UHFFFAOYSA-N	252.314	1.536	10	20	CDCD	
CCn1c(-c2sccc2O)nnc1N1CCCOCC1	1520731058	ODURTPPENIDMRX-UHFFFAOYSA-N	294.380	1.959	10	20	CDCD	
O=C(O)[C@@H](Cc1cncs1)NCc1cccc(F)c1O	1601663555	XIDLYRKELITDHW-LLVKDONJSA-N	296.323	1.773	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)NCC1(C(=O)O)CCC1	1594674323	GFISXUWCNRKDPH-HYXAFXHYSA-N	291.303	1.482	10	20	CDCD	
O=C1NC(=S)S/C1=C\c1cc2[nH]c(C(=O)O)cc2o1	1777698881	GXXHXZXFDARVPJ-WAPJZHGLSA-N	294.313	1.948	10	20	CDCD	
CC1CCN(S(=O)(=O)NCc2ccccc2O)CC1	158577509	CEEPRMLRRJVOGG-UHFFFAOYSA-N	284.381	1.459	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@H](N)Cc2ccccc2)cc1	204241255	GIFRJNQBPQJXAC-KRWDZBQOSA-N	297.402	1.939	10	20	CDCD	
COc1cccc(CN[C@@H]2CCCCNC2=O)c1O	36977254	FIIYYZRJFMEKJK-LLVKDONJSA-N	264.325	1.159	10	20	CDCD	
Oc1cc2c(cc1CN1CCO[C@@H]3CCC[C@@H]31)OCO2	57100386	GAVQQFZQLGRGJB-WCQYABFASA-N	277.320	1.874	10	20	CDCD	
CC(C)NC(=O)CN(C)Cc1cc(F)cc(F)c1O	708414761	SGTWNERMIAYNJG-UHFFFAOYSA-N	272.295	1.627	10	20	CDCD	
COc1ccc(C(=O)NCc2ccc(O)c(O)c2)c(O)c1	103234450	QDJWTJOROXGCNV-UHFFFAOYSA-N	289.287	1.742	10	20	CDCD	
CC(=O)c1cc(Cl)cc(CN(C)CC(=O)O)c1O	178911113	JNEZQXDVNRUQLR-UHFFFAOYSA-N	271.700	1.765	10	20	CDCD	
Cc1ccc(C(=O)NCCc2c(C)noc2C)c(O)c1O	179486486	RLXGVACACZPFOK-UHFFFAOYSA-N	290.319	1.984	10	20	CDCD	
COc1ccc(O)c(CNC(=O)Cc2cccnc2)c1	114540792	QLXVTMXVRIXZRZ-UHFFFAOYSA-N	272.304	1.655	10	20	CDCD	
COc1ccc(O)c(CN2C[C@@H](C)N[C@H](C)C2)c1	111748499	OAVWWPSRFIGOBL-GHMZBOCLSA-N	250.342	1.583	10	20	CDCD	
COCC[C@](C)(O)CNCc1cc(F)ccc1O	180727845	JJSYVBIJPXLJHB-ZDUSSCGKSA-N	257.305	1.408	10	20	CDCD	
Cc1cc(NC(=O)c2cccc(O)c2O)ccc1C(N)=O	188413849	MUHGFFVFYWDVDE-UHFFFAOYSA-N	286.287	1.757	10	20	CDCD	
C[C@@H]1C(=O)NCCN1Cc1cc(Cl)ccc1O	123448811	IXICDCDZUOUDAH-MRVPVSSYSA-N	254.717	1.366	10	20	CDCD	
CCc1nnc(NC(=O)Cc2ccc(N)cc2)s1	82698562	LOFGQQKMFPGQAD-UHFFFAOYSA-N	262.338	1.864	10	20	CDCD	
CC(C)NC(=O)[C@H](C)NCc1cc(F)ccc1O	232643978	HLZZKNNYJBQAHL-VIFPVBQESA-N	254.305	1.534	10	20	CDCD	
CCOCCN(C)Cc1cc(OC)c(OC)cc1O	92885161	YLZUVIAJIJGIJR-UHFFFAOYSA-N	269.341	1.878	10	20	CDCD	
CCOc1ccc(O)c(CN2CCC[C@H](C(=O)NC)C2)c1	93361212	ZPPHFHBNWVJDQR-LBPRGKRZSA-N	292.379	1.749	10	20	CDCD	
Cc1cc(O)c(CN2CCNC(=O)[C@H]2C(C)C)cc1C	93054847	SBYXWXMNTXPIKG-OAHLLOKOSA-N	276.380	1.965	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NC[C@H](O)C2CC2)cc1	264052961	INKCJMWABOTCSH-AWEZNQCLSA-N	277.368	1.323	10	20	CDCD	
Oc1ccccc1CN1CCN([C@H]2CCC[C@H]2O)CC1	361053449	RKPNMZZNCDQSKM-GOEBONIOSA-N	276.380	1.423	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNCC[C@H](C)OC)c1O	278928066	VSGCWRUXNQRXHK-VIFPVBQESA-N	284.312	1.824	10	20	CDCD	
C[C@@H](C[S@](C)=O)N(C)C(=O)/C=C/c1ccc(O)c(O)c1	274322075	AUJGQQJWKOADPH-ZGPJYAHQSA-N	297.376	1.336	10	20	CDCD	
CCC(CC)(CNC(=O)c1cccc(O)c1O)C(=O)OC	279763877	FJARQVYBZLKWEL-UHFFFAOYSA-N	295.335	1.807	10	20	CDCD	
CC(C)(C(=O)NCc1ccccc1O)S(=O)(=O)C1CC1	285353515	SDAYNXSXCVFNMT-UHFFFAOYSA-N	297.376	1.364	10	20	CDCD	
CC(=O)C(=O)COC(=O)CCc1ccccc1Cl	808489791	DSAAOYCEWJFYOZ-UHFFFAOYSA-N	268.696	1.974	10	20	CDCD	
CCOCc1cc(CN[C@@H]2COC[C@H]2O)ccc1OC	295634463	PBZPWTKPFBTZDS-ZIAGYGMSSA-N	281.352	1.081	10	20	CDCD	
CC(C)[C@H](NC(=O)c1cc(O)cs1)c1nncn1C	807672098	ZKIFXUAGTKUFAT-JTQLQIEISA-N	280.353	1.709	10	20	CDCD	
COC(=O)c1ccc(OCC(=O)C(C)=O)cc1Cl	808034820	XWNHHHSHSVEYQX-UHFFFAOYSA-N	270.668	1.664	10	20	CDCD	
CNC(=O)[C@H](CCSC)NCc1cc(C)c(C)cc1O	808436930	FTWAKOVJKUJEOT-ZDUSSCGKSA-N	296.436	1.966	10	20	CDCD	
O=C(O)[C@H](C(=O)NCc1c(O)cccc1F)C1CC1	902853501	ONVJOMNSRDSXHT-NSHDSACASA-N	267.256	1.258	10	20	CDCD	
C[C@@H](C[C@@H](C)N)NC(=O)NCc1ccc(N(C)C)c(F)c1	831117409	VXRQKRQREJXROY-MNOVXSKESA-N	296.390	1.817	10	20	CDCD	
COc1ccc(O)c(CN(C)[C@H](COC(C)C)C(=O)O)c1	833733797	QMIBEVDXHZGPMG-CYBMUJFWSA-N	297.351	1.711	10	20	CDCD	
CN(C(=O)NCCc1ccc(N)cc1)[C@H]1CCSC1	841958678	HLDQBVKQWLQQMW-ZDUSSCGKSA-N	279.409	1.958	10	20	CDCD	
CCOC[C@H]1CCN(C(=O)NCCc2ccc(N)cc2)C1	841959397	WTLLMTGZAPUXLS-AWEZNQCLSA-N	291.395	1.879	10	20	CDCD	
C[C@]1(CNC(=O)NCCc2ccc(N)cc2)CCCO1	841852324	ABVPFKUVAWMJAJ-OAHLLOKOSA-N	277.368	1.680	10	20	CDCD	
CCN(C[C@@H](C)OC)C(=O)NCCc1ccc(N)cc1	841955476	DIJFWAXSDGLZTD-GFCCVEGCSA-N	279.384	1.878	10	20	CDCD	
CN(CC[N+](=O)[O-])Cc1ccc(N2CCOCC2)cc1	929184413	GLPLEGTVDKGYOA-UHFFFAOYSA-N	279.340	1.232	10	20	CDCD	
CCn1ncnc1CN[C@@H](C)c1cccc(OC)c1O	846168010	PXRRTYLGAGMBPR-JTQLQIEISA-N	276.340	1.863	10	20	CDCD	
CN1CCN(c2ccc(CN[C@@H](CO)CCF)cc2)CC1	846097421	INWQOEUZLFVSRS-OAHLLOKOSA-N	295.402	1.249	10	20	CDCD	
CNC[C@@H](C)C(=O)N(C)CCN(C)c1ccc(OC)cc1	846696344	FNQYJNUCLAAPJS-CYBMUJFWSA-N	293.411	1.445	10	20	CDCD	
COc1ccc(N(C)CCN(C)Cc2cnon2)cc1	852211681	OEKAGDHAYKHZDY-UHFFFAOYSA-N	276.340	1.646	10	20	CDCD	
N[C@H]1C[C@H](C(=O)NCc2ccc(N3CCCC3)cc2)C1	852860118	KNUPVDBAFHPQCF-HDJSIYSDSA-N	273.380	1.640	10	20	CDCD	
Nc1ccc(Cc2nc(C(=O)OCCO)cs2)cc1	751931098	MCMOFAQVVBBOQZ-UHFFFAOYSA-N	278.333	1.465	10	20	CDCD	
C[C@@H](C1CC1)N(C)S(=O)(=O)NCc1ccccc1O	751151977	ZHJBJOZKLQWVDV-JTQLQIEISA-N	284.381	1.457	10	20	CDCD	
CCOCCNC(=S)N(C)Cc1ccccc1O	750994173	HREVFVJIAYUJBH-UHFFFAOYSA-N	268.382	1.735	10	20	CDCD	
COc1cccc(O)c1CN(CCO)Cc1cccnc1	769332239	ZJNCXUPJQFRHOT-UHFFFAOYSA-N	288.347	1.790	10	20	CDCD	
Cc1cc(=NC(=O)NCc2ccccc2O)cc[nH]1	767893166	FXKJBOBGTNKTGR-UHFFFAOYSA-N	257.293	1.839	10	20	CDCD	
CCCn1cc(/C=C(\C(=O)OCC)c2nccn2C)nn1	865218807	PIFXOVJZQWTCOC-XFXZXTDPSA-N	289.339	1.525	10	20	CDCD	
CCOC(=O)[C@@H](NCc1cc2c(cc1O)OCO2)C1CC1	1116740758	RARFUSIUDDBFFG-AWEZNQCLSA-N	293.319	1.552	10	20	CDCD	
CCC1(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)COC1	773751643	SKKNYSHAFMDZAJ-JTQLQIEISA-N	279.336	1.572	10	20	CDCD	
CNC(=O)[C@@H](C)CN(C)Cc1cc(Cl)cc(F)c1O	775736295	BPLQFQCRKSSKDT-QMMMGPOBSA-N	288.750	1.999	10	20	CDCD	
C[C@@H](NC(=O)C(=O)N1CCCC1)c1ccc(N(C)C)cc1	774217537	MPCSHDABUKMGQD-GFCCVEGCSA-N	289.379	1.552	10	20	CDCD	
Cc1cccc(CN2CCN(CC[S@](C)=O)CC2)c1O	775716452	AJWHXJDYKJGRBA-FQEVSTJZSA-N	296.436	1.197	10	20	CDCD	
CNC(=O)C[C@@H](C)N[C@H](C)c1c(O)cccc1F	886620279	GHHOPEAINGVLHQ-RKDXNWHRSA-N	254.305	1.707	10	20	CDCD	
COc1cccc(O)c1CN[C@H]1CCO[C@]2(CCOC2)C1	770751725	AOYONOIIEPLJEZ-BLLLJJGKSA-N	293.363	1.829	10	20	CDCD	
CC[C@H]1CN(Cc2c(O)cccc2OC)C[C@H]1O	770380814	NPVFPINRFOTTPU-GXFFZTMASA-N	251.326	1.604	10	20	CDCD	
Nc1ccc(CNC(=O)NCCOCC(F)(F)F)cc1	1120566499	NUFGRZSXMVDPTA-UHFFFAOYSA-N	291.273	1.647	10	20	CDCD	
O=C(/C=C\c1nccs1)NCc1ccc(O)c(O)c1	1123640174	KITLXTGIVFCFLO-ARJAWSKDSA-N	276.317	1.884	10	20	CDCD	
C[C@H](NCCCn1cncn1)c1c(O)cccc1F	886572966	LZLWADZOBTZJPN-JTQLQIEISA-N	264.304	1.864	10	20	CDCD	
C[C@H]1CN(Cc2c(O)cccc2Br)C[C@H]1O	897679384	JUAXSUKOIDRTFR-QPUJVOFHSA-N	286.169	1.967	10	20	CDCD	
COc1cccc(O)c1CN1CCC2(CC1)CNC(=O)O2	783721765	NFBLLTRXIDEBNY-UHFFFAOYSA-N	292.335	1.475	10	20	CDCD	
COc1cccc(O)c1CN1C[C@@H](C)S(=O)[C@H](C)C1	792193597	ZBXCKUJQPYFLQS-GHMZBOCLSA-N	283.393	1.742	10	20	CDCD	
COc1ccc(CNC(=O)N[C@H](C)CSC)c(O)c1	792949607	CFXCRQVIKLBLTJ-SECBINFHSA-N	284.381	1.952	10	20	CDCD	
CCNC(=O)[C@@H](C)N[C@H](C)c1ccc(C)cc1O	36794560	OJTKAZVHZSHXOX-GHMZBOCLSA-N	250.342	1.876	10	20	CDCD	
COc1ccc(N2CC[C@@H](CNC[C@@H](C)O)C2)cc1	76360854	QSVCHWLWSAHBMC-OLZOCXBDSA-N	264.369	1.492	10	20	CDCD	
CCOc1ccc(N2CCN([C@@H](C)C(=O)OC)CC2)cc1	1322872980	XLFJVGNLKKMBRB-ZDUSSCGKSA-N	292.379	1.769	10	20	CDCD	
C[C@H]1CN(C(=O)NCc2ccc(N)cc2)[C@@H](C)CO1	1338793448	PMXPRIGMWNDZMK-QWRGUYRKSA-N	263.341	1.588	10	20	CDCD	
CC[C@H](NCc1cc(F)c(N(C)C)cc1F)C(=O)O	1331845287	JYYONULYPPENAA-NSHDSACASA-N	272.295	1.984	10	20	CDCD	
Nc1ccc(CNC(=O)NC[C@@H]2CCC[C@H](O)C2)cc1	1338793768	UYNPONMROJJVQL-OCCSQVGLSA-N	277.368	1.619	10	20	CDCD	
Nc1ccc(CN2CCC([C@@H]3OCCC[C@H]3N)CC2)cc1	1345160150	SHOWSQCGGBFIJE-SJORKVTESA-N	289.423	1.987	10	20	CDCD	
COc1ccc(N2CCN(C(=O)[C@H]3C[C@@H]3F)CC2)cc1F	1346394933	ZSIXNDCMSOEQFH-RYUDHWBXSA-N	296.317	1.841	10	20	CDCD	
NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1ccc(N)cc1	1345160177	SSJDLUDXNXELSK-YUTCNCBUSA-N	259.353	1.355	10	20	CDCD	
COC[C@H](NCc1cc(Cl)c(F)cc1O)C(=O)O	1610249487	DPMYZRFNRGNWAB-VIFPVBQESA-N	277.679	1.374	10	20	CDCD	
Cc1cc(C)n([C@@H](C)C(=O)NCc2cccc(O)c2O)n1	1548790775	JORUXKBHZVGGNU-NSHDSACASA-N	289.335	1.789	10	20	CDCD	
C[C@H](N)CC(=O)N(C)Cc1ccc(N2CCCC2)cc1	1579477432	ASLVKRQPEOJVIV-ZDUSSCGKSA-N	275.396	1.983	10	20	CDCD	
COCCN(CCC(=O)O)Cc1ccc(Cl)cc1O	1594011394	QJZQITNPCDGCIQ-UHFFFAOYSA-N	287.743	1.969	10	20	CDCD	
CCN1CCC[C@H]1CNCc1cc(OC)ccc1O	20092044	SESPTDWOOCYTJT-ZDUSSCGKSA-N	264.369	1.975	10	20	CDCD	
COc1ccc(CNC2CCS(=O)CC2)c(O)c1	157957857	XIHPVSUMFUNHBY-UHFFFAOYSA-N	269.366	1.402	10	20	CDCD	
C[C@H](NCC[C@H]1CCNC1=O)c1ccc(N(C)C)cc1	846860911	NIWJVNSJLJLBSA-JSGCOSHPSA-N	275.396	1.929	10	20	CDCD	
CC[C@H](NC(=O)c1cccc(O)c1O)c1ncc[nH]1	126559787	USLFRPSGQRYZAA-VIFPVBQESA-N	261.281	1.702	10	20	CDCD	
COc1ccc(O)c(CN2CCC[C@@H](N(C)C)C2)c1	156070773	ARVZAFCHVHNGBX-CYBMUJFWSA-N	264.369	1.927	10	20	CDCD	
C[C@@H](CNC(=O)Cc1ccc(N)cc1)N1CCCC1	160726829	ROWGVOYOUHVNDU-LBPRGKRZSA-N	261.369	1.412	10	20	CDCD	
c1cc(N2CCCC2)ccc1CNC[C@@H]1COCCO1	37998272	GHPYBFKBPAEYBX-MRXNPFEDSA-N	276.380	1.792	10	20	CDCD	
Cc1ccc(O)c(CNCC2(O)CCN(C)CC2)c1	265910729	XVQJPZCEKAEKEX-UHFFFAOYSA-N	264.369	1.247	10	20	CDCD	
CC[C@H](N[C@@H](C)c1cc(OC)ccc1O)C(N)=O	182412368	MHMHTFQSGZDDRP-KWQFWETISA-N	252.314	1.315	10	20	CDCD	
Cc1ccc([C@@H](C)NCC(=O)NCC2CC2)c(O)c1	186505501	XYQFXMYYGMCXCA-LLVKDONJSA-N	262.353	1.877	10	20	CDCD	
CN(C)C[C@@H]1CCCCN1C(=O)Cc1ccc(N)cc1	404867292	ARQNVBZKLCJWLY-HNNXBMFYSA-N	275.396	1.754	10	20	CDCD	
NC(=O)C[C@H]1CCN(Cc2cc(F)ccc2O)C1	367700770	CVHOCZOLJHFHCW-SECBINFHSA-N	252.289	1.229	10	20	CDCD	
Cn1c(C(=O)NCc2ccc(N)cc2)cnc1Cl	696442571	UDRGGAMXVUKPGH-UHFFFAOYSA-N	264.716	1.586	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)CNC(C)=O)cc1F	109022437	DKKSFBBBNQTORG-UHFFFAOYSA-N	295.358	1.424	10	20	CDCD	
NC[C@@H](NC(=O)Cc1ccc(N)cc1)C1CCCC1	841856037	LGXMNLFLCGKQQJ-CQSZACIVSA-N	261.369	1.445	10	20	CDCD	
CCOc1ccc(O)c(CN[C@@H](C)C(=O)N(C)CC)c1	188894676	WKHVKLBDTZVTRN-NSHDSACASA-N	280.368	1.747	10	20	CDCD	
COc1cccc(CNc2ccc(-n3cnnn3)cc2)c1O	314104279	BTKNLLIWHFCVRK-UHFFFAOYSA-N	297.318	1.989	10	20	CDCD	
CC[C@@H](C)NC(=O)[C@@H](C)NCc1ccccc1O	134230761	REPUGCCIHDYZQO-GHMZBOCLSA-N	250.342	1.785	10	20	CDCD	
CCCC(=O)N1CSC[C@H]1C(=O)Nc1ccc(N)cc1	236691973	LFHCSDBDBJJNSZ-LBPRGKRZSA-N	293.392	1.909	10	20	CDCD	
OC[C@H]1CCCN(Cc2cc3c(cc2O)OCO3)CC1	294026780	NWPCCSLNSLSPER-NSHDSACASA-N	279.336	1.715	10	20	CDCD	
COc1cc([C@H]2NC(=O)CN2CC(C)C)cc(O)c1O	298793882	RWHNKBXPSFHRIL-AWEZNQCLSA-N	280.324	1.193	10	20	CDCD	
CC(C)OC[C@@H](CO)N(C)Cc1cc(F)ccc1O	809768645	RPDMGOXESLOVBR-CYBMUJFWSA-N	271.332	1.749	10	20	CDCD	
COc1cccc(O)c1CN(CCN(C)C)CCN(C)C	809741652	RJFNXDSPXRMEPS-UHFFFAOYSA-N	295.427	1.326	10	20	CDCD	
C[C@@H]1CN(Cc2c(O)cccc2Cl)CC(=O)N1	294910437	DYHMTRUSJMAJFK-MRVPVSSYSA-N	254.717	1.366	10	20	CDCD	
O=C1CN(Cc2ccccc2O)C(=O)N1C1CC(F)(F)C1	819167831	ISTAHTFFFCVABP-UHFFFAOYSA-N	296.273	1.954	10	20	CDCD	
CCC(=O)N1CC[C@@H](C(=O)N[C@H](C)c2ccccc2O)C1	827941525	SYUBVNVFTCAXTL-VXGBXAGGSA-N	290.363	1.828	10	20	CDCD	
OCCC[C@@H]1CCN(Cc2cc3c(cc2O)OCO3)C1	825338342	ONNMGAJOTHYUAS-LLVKDONJSA-N	279.336	1.715	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2CC3(CC3)C2)c1O	824533138	BISGZWPJKLHBBS-UHFFFAOYSA-N	264.281	1.905	10	20	CDCD	
COc1cccc(O)c1CNCCCCC(=O)O	820871307	XCTKYLPJVRNMLT-UHFFFAOYSA-N	253.298	1.745	10	20	CDCD	
COc1ccc(O)c(CNCCCCC(=O)O)c1	820845757	AZACGZKXNNZWOQ-UHFFFAOYSA-N	253.298	1.745	10	20	CDCD	
C[C@@H](O)CN(CC(F)F)C(=O)c1cccc(O)c1O	837007005	DZSHSVPKDQDKLL-SSDOTTSWSA-N	275.251	1.186	10	20	CDCD	
CCN(C)c1ccc(CN2CC[C@@H](O)[C@H](CO)C2)cc1	839665041	GIYRMOQGITZBDP-GOEBONIOSA-N	278.396	1.318	10	20	CDCD	
CCOC(=O)c1noc(COC(=O)c2cc(O)cs2)n1	837516158	XVQGBEBOWMWJGB-UHFFFAOYSA-N	298.276	1.370	10	20	CDCD	
O=C(c1c(F)ccc(O)c1O)N1CCC[C@H]2C[C@@H]21	831818722	OEJZYVTVGAOOMA-CBAPKCEASA-N	251.257	1.861	10	20	CDCD	
COc1ccc(O)c(CNC(=S)NC2CCOCC2)c1	733906554	MUWQHTKIQZFXSB-UHFFFAOYSA-N	296.392	1.544	10	20	CDCD	
CN(C)c1ccc([C@H](N)CNC(=O)C2CCOCC2)cc1	832292773	MIECVPVHPGICKV-OAHLLOKOSA-N	291.395	1.295	10	20	CDCD	
CC(=O)N[C@@H](CC(C)C)C(=O)NCc1ccc(O)cc1O	910949593	LJAUTLRRHXPBES-ZDUSSCGKSA-N	294.351	1.265	10	20	CDCD	
Cc1nonc1C(=O)N1CCOc2cc(N(C)C)ccc21	744379916	DZIUEBLDISPSLE-UHFFFAOYSA-N	288.307	1.483	10	20	CDCD	
Cc1cc(O)c(CN2CCCO[C@H](CN)C2)cc1C	841101504	WGOOJFZFFTYSSY-CQSZACIVSA-N	264.369	1.559	10	20	CDCD	
CCS(=O)(=O)CC(=O)NCc1cc(Cl)ccc1O	846474122	ZSJUTSOGHLHARE-UHFFFAOYSA-N	291.756	1.097	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@@H](C)C(=O)O	842651318	YAHTYPBYTFRWMF-SNVBAGLBSA-N	264.325	1.398	10	20	CDCD	
CC[C@H](NCCN1CC[C@H](O)C1)c1ccc(F)cc1O	858601097	CERSSNKNQHFJGE-JSGCOSHPSA-N	282.359	1.639	10	20	CDCD	
C[C@@H](N)CN(C)Cc1cccc(Br)c1O	863653549	MYZAFGIOJLKPPG-MRVPVSSYSA-N	273.174	1.934	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCC[C@H](Cn2ccnn2)C1	752630921	OYJFXKCDGGBRGS-JTQLQIEISA-N	292.364	1.598	10	20	CDCD	
COC1CN(Cc2cc(F)c(N(C)C)cc2F)C1	862389899	XTBYSJXHIRUGRK-UHFFFAOYSA-N	256.296	1.861	10	20	CDCD	
CNc1nnc(CC(=O)NCc2cc(C)ccc2O)s1	862757607	ZTBFYHJYEROVLG-UHFFFAOYSA-N	292.364	1.453	10	20	CDCD	
CCn1ncc(C(=O)NCc2ccccc2O)c1C	866756243	UOJNJAIHGPKBFJ-UHFFFAOYSA-N	259.309	1.847	10	20	CDCD	
CC[C@]1(O)CCCN(C(=O)c2ccc(C)c(O)c2O)C1	870680884	NPBICSAYRCKANT-HNNXBMFYSA-N	279.336	1.783	10	20	CDCD	
Cc1ccc(O)c(CN2CCSC[C@H]2CO)c1	877780551	URCMCSUNSQEISP-GFCCVEGCSA-N	253.367	1.610	10	20	CDCD	
C[C@@H](NC(=O)NC[C@H]1COC(C)(C)O1)c1ccccc1O	875481462	WZUUCCPCNWQOIA-MNOVXSKESA-N	294.351	1.904	10	20	CDCD	
CN1C(=O)[C@@H]2CN(Cc3cc(Cl)ccc3O)C[C@@H]2C1=O	877719823	GHJZMOOUKVVVOM-PHIMTYICSA-N	294.738	1.092	10	20	CDCD	
Cc1[nH]nc2ncc(C(=O)NCc3ccc(O)c(O)c3)cc12	778922362	JJQJBVOFMWGCFW-UHFFFAOYSA-N	298.302	1.608	10	20	CDCD	
COCC[C@]1(NCc2cc(F)cc(F)c2O)CCOC1	883105480	LADSEDZLTSRVSR-AWEZNQCLSA-N	287.306	1.956	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CNCC1(C)C	884306083	SLRRIABXUPKYDI-HNNXBMFYSA-N	289.423	1.957	10	20	CDCD	
COc1cc(C)cc(CN[C@H]2CCN(C)C2)c1O	894241892	ODWCNIXIXVQGQA-LBPRGKRZSA-N	250.342	1.503	10	20	CDCD	
CCOC(=O)[C@@H]1CCN(Cc2cc(F)ccc2O)C1	896960614	NKRCIRCJTQOENL-SNVBAGLBSA-N	267.300	1.916	10	20	CDCD	
C[C@@H](NC(=O)CC1OCCO1)c1ccc(N(C)C)cc1	793855002	FZMYYHADMNQBHB-LLVKDONJSA-N	278.352	1.693	10	20	CDCD	
COc1ccc(O)c(CNS(=O)(=O)c2ccsc2)c1	795852365	JUBUXYAEOYJRJP-UHFFFAOYSA-N	299.373	1.941	10	20	CDCD	
CN1CCC[C@@H](NCc2c(O)ccc(Cl)c2F)C1=O	790974405	UEOMPCUMMDFPKT-SNVBAGLBSA-N	286.734	1.895	10	20	CDCD	
C[C@@H](NC(=O)C12CCC(CC1)N2)c1ccccc1O	1341541306	QJYRIEVLIVESHT-RWWNRMGGSA-N	260.337	1.854	10	20	CDCD	
O=C(O)[C@]1(NCc2ccc3c(c2)CCCO3)CCOC1	900035803	NKCFRBIEHJQSKB-HNNXBMFYSA-N	277.320	1.345	10	20	CDCD	
C[C@@H]1C[C@@H](C(=O)NCCc2ccc(O)c(O)c2)CCO1	272122320	ZZMNZCSWYVQZIJ-PWSUYJOCSA-N	279.336	1.572	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)NC1CCOCC1	80088996	UBMHTKNRPCTBLY-UHFFFAOYSA-N	264.325	1.713	10	20	CDCD	
CC[C@@H]1C[C@H](C(=O)NCc2cccc(O)c2O)CCO1	1347233316	ICVKPBDNRFTITE-ZYHUDNBSSA-N	279.336	1.919	10	20	CDCD	
O=C(O)[C@H]1CN(Cc2c(O)ccc(Cl)c2F)CCO1	1601848182	FRWCUJSPWPHABJ-SNVBAGLBSA-N	289.690	1.470	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](C(=O)O)C1CC1	1601237857	FHVBSQWOYTVANL-NHEDYWLLSA-N	278.260	1.517	10	20	CDCD	
C[C@@H](NCC1(O)CCC1)c1cc(C(=O)O)ccc1O	1609781194	WVDLRQRJTZFCCL-SECBINFHSA-N	265.309	1.656	10	20	CDCD	
C[C@H]1CCN(Cc2cc3c(cc2O)OCO3)[C@@H](C(=O)O)C1	1604754215	TYDKSQMXMZMYRZ-GXSJLCMTSA-N	293.319	1.806	10	20	CDCD	
COc1cc(N2CCC[C@H](O)C2)c([N+](=O)[O-])cc1OC	213722308	JKPSLWWSQXOTEH-VIFPVBQESA-N	282.296	1.573	10	20	CDCD	
Cn1cc(C(C)(C)C(=O)NCc2cccc(O)c2O)cn1	1548791594	CFPWEQPNPSRJFV-UHFFFAOYSA-N	289.335	1.425	10	20	CDCD	
O=C(NCc1cccc(O)c1O)C1(CF)CCOCC1	1548791471	AWKRXGWRVMHYML-UHFFFAOYSA-N	283.299	1.480	10	20	CDCD	
CCCN(C[C@H](N)CCOC)c1ccc(CN)cc1	1577507271	LNBNKMRSDHHRTG-CQSZACIVSA-N	265.401	1.726	10	20	CDCD	
O=C(O)[C@H]1CCN(Cc2ccc(F)c(F)c2O)C1	1594934025	QRYRISJVDYGNPC-QMMMGPOBSA-N	257.236	1.577	10	20	CDCD	
CN(Cc1cccc(-c2nn[nH]n2)n1)Cc1ccccc1O	1591146343	UPOLHIIMPRGNPY-UHFFFAOYSA-N	296.334	1.599	10	20	CDCD	
COc1ccc(N(C)CC(=O)N2CCO[C@H](C)C2)cc1	844353056	FBULZTZZHNZOEP-GFCCVEGCSA-N	278.352	1.379	10	20	CDCD	
COC[C@@]1(C(=O)O)CCN(Cc2ccc(C)cc2O)C1	1593966362	AZNDALGRMMFKMY-OAHLLOKOSA-N	279.336	1.624	10	20	CDCD	
CCOc1cccc(CNC[C@H](COC)OC)c1O	227705006	ARZLFAYLYZVTRG-GFCCVEGCSA-N	269.341	1.542	10	20	CDCD	
NC[C@@H](NC(=O)Cc1ccc(N)cc1)C1CCCCC1	262591134	CKPCBRPJCOAPBY-OAHLLOKOSA-N	275.396	1.835	10	20	CDCD	
Cc1ccc([C@H](C)NC[C@@H]2CCS(=O)(=O)C2)c(O)c1	38083084	WBJCQHBRPRVNAX-RYUDHWBXSA-N	283.393	1.786	10	20	CDCD	
CCn1cc(CN[C@@H](C)c2ccc(F)cc2O)nn1	404440606	GZXWPPLMDOSERJ-VIFPVBQESA-N	264.304	1.994	10	20	CDCD	
CN1CCc2cc(OC[C@H]3C[N@]3Cc3cnn(C)c3)ccc21	1887518965	BGXDWUUXFACIOZ-VFNWGFHPSA-N	298.390	1.676	10	20	CDCD	
COC(=O)[C@@H](O)C1CCN(Cc2ccccc2O)CC1	179586446	UFRHZZXVMWHFOL-AWEZNQCLSA-N	279.336	1.138	10	20	CDCD	
Cc1cccc(CN2CCN3C(=O)OC[C@@H]3C2)c1O	378445777	WKKQOCQUFCGCOG-LBPRGKRZSA-N	262.309	1.337	10	20	CDCD	
CCOC(=O)CN(C)Cc1ccc(N(C)C)c(F)c1	128559548	ZUQZMFKGDPBDQP-UHFFFAOYSA-N	268.332	1.887	10	20	CDCD	
CCN(CC)c1ccc(CNc2ccc3nnnn3n2)cc1	76844902	KCXPZBTWLBYPNE-UHFFFAOYSA-N	297.366	1.978	10	20	CDCD	
CN(C)CCNC(=O)NCCCSc1nccs1	133875992	UUCUGCGAXGILPW-UHFFFAOYSA-N	288.442	1.486	10	20	CDCD	
COC(=O)Cn1ncc(NCc2ccccc2O)c1C	192986894	MRTIUWARASSQKM-UHFFFAOYSA-N	275.308	1.682	10	20	CDCD	
CCCNC(=O)NC(=O)CSc1nccs1	48874394	KMYLABSDJWNOCG-UHFFFAOYSA-N	259.356	1.471	10	20	CDCD	
CC(C)Oc1ccc(N(C)CC(=O)N2CCOCC2)cc1	191591636	PFYYZHCWJFTEDQ-UHFFFAOYSA-N	292.379	1.769	10	20	CDCD	
C[C@@H]1CCCN(CCNC(=O)Cc2ccc(N)cc2)C1	237539936	KQANHYSAOIAMRQ-CYBMUJFWSA-N	275.396	1.659	10	20	CDCD	
Nc1ccc(CCNS(=O)(=O)CCC2CC2)cc1	261585838	TYLUTFLRZHGNIE-UHFFFAOYSA-N	268.382	1.531	10	20	CDCD	
CN(CCCO)C1CCN(Cc2ccccc2O)CC1	271357529	MOGMZMIFSXQULD-UHFFFAOYSA-N	278.396	1.671	10	20	CDCD	
COCCN(CCOC)Cc1cc(OC)c(OC)cc1O	271108743	SSOGSIUDDBPQOL-UHFFFAOYSA-N	299.367	1.504	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)C[C@H](CN)OC)cc1	278240380	LHRZADIGONABTK-OAHLLOKOSA-N	293.411	1.513	10	20	CDCD	
O=C(NCc1ccc(N2CCOCC2)cc1)C1(O)CCC1	273203258	KHOZYPUKQRJJKE-UHFFFAOYSA-N	290.363	1.054	10	20	CDCD	
C[C@@H](CO)CCCNCc1cc([N+](=O)[O-])ccc1O	270277705	LVFJOKWEKYEUHE-SNVBAGLBSA-N	268.313	1.799	10	20	CDCD	
COc1cccc(CNC(=O)C(=O)OC(C)(C)C)c1O	274063240	JCPGQPFYRIYPMQ-UHFFFAOYSA-N	281.308	1.359	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCOC[C@@H]1[C@H]1CCCO1	376231964	UBXSTVABHHRFMW-DGCLKSJQSA-N	293.319	1.118	10	20	CDCD	
CN(C)CC1(NCc2cc([N+](=O)[O-])ccc2O)CCC1	282296077	RKPMYFQTOMSYCX-UHFFFAOYSA-N	279.340	1.874	10	20	CDCD	
CCO[C@@H]1C[C@H](NC(=O)c2cccc(O)c2O)[C@H]1OC	280400168	GYFDPQUMNORHQQ-UFGOTCBOSA-N	281.308	1.020	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H]1CCCO1	808093429	NTJFHEQNXSFHDR-NSHDSACASA-N	270.325	1.673	10	20	CDCD	
O=C(NCCc1csc(O)n1)c1cccc(O)c1O	807372911	NQKANFHTBUHENV-UHFFFAOYSA-N	280.305	1.232	10	20	CDCD	
Cc1c([C@@H](C)NC(=O)c2c(F)ccc(O)c2O)cnn1C	294871958	PFPVBWLDVLQAGK-SSDOTTSWSA-N	293.298	1.770	10	20	CDCD	
CC[C@H](N)CN[C@H](C)c1cc(C(=O)OC)ccc1O	817980838	XJJFXCJPBDAUGP-KOLCDFICSA-N	266.341	1.567	10	20	CDCD	
CC[C@@H]1CN(C)CCN1Cc1cc(OC)c(OC)cc1O	816660573	IZMQRKBFTLILKS-CYBMUJFWSA-N	294.395	1.935	10	20	CDCD	
COc1cccc(O)c1CN1C[C@@H](CO)OC(C)(C)C1	817412357	JDCZQJXRGZYMEC-NSHDSACASA-N	281.352	1.373	10	20	CDCD	
C[C@@H](NC[C@H](N)c1ccc(N(C)C)cc1)c1cnn(C)c1	817942453	OXKQUZFLSZGXHP-WBMJQRKESA-N	287.411	1.837	10	20	CDCD	
CCOc1ccc(CN[C@@H](C(=O)O)C(C)C)c(O)c1	820387413	OSVRSVJVVHKIJR-CYBMUJFWSA-N	267.325	1.990	10	20	CDCD	
Cc1cc(O)c(CNCCS(C)(=O)=O)cc1Cl	825150090	AVTIFUUPWGUVDS-UHFFFAOYSA-N	277.773	1.488	10	20	CDCD	
Nc1ccc(OCc2cn(C[C@H]3CCOC3)nn2)cc1	864626730	BCQIMPDXIZBOKQ-LLVKDONJSA-N	274.324	1.476	10	20	CDCD	
C[C@H](Cn1cccn1)NC(=O)c1cc(O)cs1	732271333	HCTLPQCQZXNEDG-MRVPVSSYSA-N	251.311	1.469	10	20	CDCD	
O=C(/C=C\[C@@H]1CCOC1)NCc1ccc(O)cc1O	910945443	WMOXMQHWKVJXRI-GAGJOLBNSA-N	263.293	1.307	10	20	CDCD	
CO[C@H]1CCC[C@H]1C(=O)NCCc1ccc(N)cc1	911782500	KBBLQIQYTUUDNZ-KGLIPLIRSA-N	262.353	1.743	10	20	CDCD	
Nc1ccc(NC(=O)[C@@]23CCC(=O)N2CCS3)cc1	843295246	PKDBGZLXXAFQGP-ZDUSSCGKSA-N	277.349	1.273	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)NC[C@H](C)CN)c1	841961362	AJDDOJYNNCFJJR-ZJUUUORDSA-N	281.356	1.356	10	20	CDCD	
CNCCN(C)C(=O)NCCCSc1nccs1	841855540	ATVZBQFODMYFHP-UHFFFAOYSA-N	288.442	1.486	10	20	CDCD	
Cc1nonc1CN(C)c1ccc(OCC(=O)O)cc1	846279653	JNMNFZKZEFFODW-UHFFFAOYSA-N	277.280	1.478	10	20	CDCD	
CC(C)(CCS(C)(=O)=O)NC(=O)c1cc(O)cs1	846655052	MSUVAZWHUZVENJ-UHFFFAOYSA-N	291.394	1.397	10	20	CDCD	
CCc1cccc(CN2CCC[C@H](OCCO)C2)c1O	848884585	NSZDXHSREYFDHG-HNNXBMFYSA-N	279.380	1.928	10	20	CDCD	
C[C@H]1CN(C(=O)NCCc2ccc(N)cc2)[C@H](C)CN1	841955449	CGISXNWXPZZNGF-NWDGAFQWSA-N	276.384	1.203	10	20	CDCD	
CC(C)[C@H](O)COC(=O)/C=C/c1ccc(O)c(O)c1	849745819	ZNDNBFVUVHOHMA-DIECRNLCSA-N	266.293	1.671	10	20	CDCD	
CCc1cccc(CN[C@@H](C)[C@H]2CN(C)CCO2)c1O	848900265	ZOKGRALUFQSNRF-SWLSCSKDSA-N	278.396	1.763	10	20	CDCD	
Oc1c(Cl)cccc1CNC[C@@H]1CNCCCO1	841087006	RJWCZYSHMOSRJJ-NSHDSACASA-N	270.760	1.514	10	20	CDCD	
C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc(O)cs1	758348396	VAOZMPPSJIPGOV-KCJUWKMLSA-N	266.366	1.666	10	20	CDCD	
COc1cc(C(=O)N[C@H]2C[C@@H](NC(C)C)C2)cc(OC)n1	1022368736	YWNMBTAAYNGKPE-TXEJJXNPSA-N	293.367	1.358	10	20	CDCD	
C[C@@H](NS(=O)(=O)C[C@@H]1CCOC1)c1ccccc1O	867834394	NRNAHUAQDHHJBP-GHMZBOCLSA-N	285.365	1.409	10	20	CDCD	
Nc1ccc(CCNC(=O)c2cnn(CC3CC3)c2)cc1	867964037	SSPWUCKGRHHPFB-UHFFFAOYSA-N	284.363	1.848	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cn[nH]c1	935946484	IHIUNVMHLKKUMF-UHFFFAOYSA-N	266.297	1.531	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)CNCC(F)(F)F)c1	862759187	YDCLDFDGCNLMBM-UHFFFAOYSA-N	276.258	1.469	10	20	CDCD	
Cc1ccc(CNCCCCN2CCN(C)CC2)c(O)c1	876928755	NAVYQBLKCNEXLK-UHFFFAOYSA-N	291.439	1.818	10	20	CDCD	
C[C@@H](NCc1cc(F)c(N(C)C)cc1F)C(=O)O	1118920103	LGIHJPKMURUICD-SSDOTTSWSA-N	258.268	1.594	10	20	CDCD	
COC(=O)[C@H](CC(F)F)NCc1ccc(C)cc1O	877469106	JRTZFEOIZTYRGT-JTQLQIEISA-N	273.279	1.987	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)NC[C@H]2C[C@@H](N)C2)c1	873252464	SESVYALTGJQADY-JBLDHEPKSA-N	278.352	1.567	10	20	CDCD	
Cc1nnc(CC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)o1	776406166	VPGFSWVEVCLFFG-JTQLQIEISA-N	288.351	1.864	10	20	CDCD	
CN1C(=O)C2(CCCC2)N[C@@H]1c1cccc(F)c1O	778525293	MHZFRGVUVPEAPD-LBPRGKRZSA-N	264.300	1.904	10	20	CDCD	
Nc1ccc(CC(=O)N2CCOCC(F)(F)C2)cc1	872262933	FRCBTBAWDYPVQJ-UHFFFAOYSA-N	270.279	1.305	10	20	CDCD	
CC1CCN(C(=O)C(=O)N(C)c2ccc(N)cc2)CC1	877075802	HZANVTJSBJCXFH-UHFFFAOYSA-N	275.352	1.490	10	20	CDCD	
C[C@H](OC[C@H]1CCCO1)C(=O)N(C)c1ccc(N)cc1	877078424	PJWJEWSDWPRUCL-SMDDNHRTSA-N	278.352	1.816	10	20	CDCD	
C[C@@H](NC(=O)N1CC[C@@H](CO)C1)c1ccc(N(C)C)cc1	776245867	OYMLRNAGZYGIID-CHWSQXEVSA-N	291.395	1.837	10	20	CDCD	
CN(C)c1cc(F)c(CN[C@H]2C[C@H](O)[C@H](O)C2)cc1F	886249482	LMLAFZFWJHMAJM-CFWWUVRLSA-N	286.322	1.005	10	20	CDCD	
C[C@@H](NCC(C)(C)OCCO)c1c(O)cccc1F	886611046	REUQNHUSJMIWHV-SNVBAGLBSA-N	271.332	1.969	10	20	CDCD	
Cc1ccc(C(=O)NC[C@](C)(O)C2CC2)c(O)c1O	780955747	FSNBRBLSISZYEC-AWEZNQCLSA-N	265.309	1.297	10	20	CDCD	
COC(=O)N1CCCN(Cc2cc(C)ccc2O)CC1	1140619824	QKJTWWXGHZDGFE-UHFFFAOYSA-N	278.352	1.975	10	20	CDCD	
CN1CCCC(C)(C)[C@H]1CNC(=O)c1cccc(O)c1O	791058704	FCEUDFGAAWZMGW-CYBMUJFWSA-N	292.379	1.948	10	20	CDCD	
COc1ccc(CNC(=O)C[C@H](C)OC)c(O)c1	794374937	ZWQPEOBGBZDYGP-VIFPVBQESA-N	253.298	1.442	10	20	CDCD	
COc1ccc(CNC(=O)C[C@@H]2CCCO2)c(O)c1	794381900	RIQUIMORTJQFFC-LBPRGKRZSA-N	265.309	1.586	10	20	CDCD	
Cn1cnnc1C1CCN(C(=O)Cc2ccc(N)cc2)CC1	1160704355	DDSPTPYXNGZDAE-UHFFFAOYSA-N	299.378	1.346	10	20	CDCD	
Cc1ccc(O)c(CN[C@H](C)CS(C)(=O)=O)c1	78639592	KPCSSEJCDNSAOK-SNVBAGLBSA-N	257.355	1.223	10	20	CDCD	
CC[C@H](CCO)NCc1ccc(N2CCOCC2)cc1	77452435	HVKGGWMRPDGLBQ-OAHLLOKOSA-N	278.396	1.774	10	20	CDCD	
O=S1(=O)CC[C@@H](CNCc2cc(F)cc(F)c2O)C1	708558870	MEFWVWFDFZUPKR-QMMMGPOBSA-N	291.319	1.195	10	20	CDCD	
O=C(O)C1CN(Cc2ccc(Br)cc2O)C1	691414166	MOBUHQNIOOGTQQ-UHFFFAOYSA-N	286.125	1.671	10	20	CDCD	
O=C(Nc1ccnn1C[C@H]1CCOC1)c1cc(O)cs1	1330168513	LTNCJQVCHIGXOJ-SECBINFHSA-N	293.348	1.939	10	20	CDCD	
CCOc1cccc(CN2CCO[C@H](COC)C2)c1O	93528611	RTXMIUBRZOCBBS-ZDUSSCGKSA-N	281.352	1.638	10	20	CDCD	
C[C@](CNCc1ccc2c(c1)CCO2)(CC(=O)O)C(=O)O	1334853657	ULAVKJJPQJYCTF-OAHLLOKOSA-N	293.319	1.277	10	20	CDCD	
Nc1ccc(CN2CCN(Cc3ccccn3)CC2)cc1	1335284926	HWLGAJDFWDWVEI-UHFFFAOYSA-N	282.391	1.982	10	20	CDCD	
CN(C)CCN1CCC(CNCc2ccc(N)cc2)CC1	1336287006	VYYREKDVOIAWPR-UHFFFAOYSA-N	290.455	1.632	10	20	CDCD	
COc1cc(C)cc(CN2CCOC[C@@H]2CC(=O)O)c1O	1599392591	OJYGYGMLTYRAEH-LBPRGKRZSA-N	295.335	1.385	10	20	CDCD	
O=C(O)C1(C(=O)N2Cc3cccc(O)c3C2)CC=CC1	1594851749	GVXYMLIETFKMDY-UHFFFAOYSA-N	273.288	1.655	10	20	CDCD	
O=C(O)[C@H](Cc1ccncc1)NCc1cccc(F)c1O	1594840957	QRDQRWUMMMAYFL-ZDUSSCGKSA-N	290.294	1.712	10	20	CDCD	
CC[C@@H](CNCc1ccc(N2CC[C@@H](O)C2)cc1)C(=O)O	1776714505	LUDBVAIUZUAQJY-DZGCQCFKSA-N	292.379	1.458	10	20	CDCD	
CC[C@H](NCCS(C)(=O)=O)c1ccc(N(C)C)cc1	164797093	SRYVUCGKJVKYFF-AWEZNQCLSA-N	284.425	1.838	10	20	CDCD	
C[C@H](C[C@@H]1COCCN1)NCc1ccc2c(c1)CCO2	817902403	PSAJFGDHOCQEQZ-IUODEOHRSA-N	276.380	1.478	10	20	CDCD	
Nc1ccc(CN2CC(=O)N[C@H]3CCCC[C@@H]32)cc1	1120263954	XUIUNFQIOURBDS-KBPBESRZSA-N	259.353	1.512	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC[C@@H]2CCCNC2=O)c1	838913646	WBGZLFZJNVAYCM-QWRGUYRKSA-N	278.352	1.578	10	20	CDCD	
CO[C@H]1C[C@H](NC(=O)NCc2ccc(N(C)C)cc2)C1	858985677	LKFFEEHLUPKZFI-MQMHXKEQSA-N	277.368	1.729	10	20	CDCD	
CCOc1cccc(CN2CC[C@@H](CNC)C2)c1O	71141845	FPRQXDCXUQLBTO-LBPRGKRZSA-N	264.369	1.832	10	20	CDCD	
O=C(NCc1ccc(N2CCOCC2)cc1)NCC1CC1	54786184	UXJGQEKTINTKNQ-UHFFFAOYSA-N	289.379	1.732	10	20	CDCD	
COc1cccc(CNC(=O)c2cnccn2)c1O	68488640	AGJDZSIMFZNMPL-UHFFFAOYSA-N	259.265	1.121	10	20	CDCD	
CC(C)C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)O	28713140	OLBHHFOSTWXOHD-MALLOTDXSA-N	293.319	1.727	10	20	CDCD	
C[C@H](NCC(=O)N1CCOCC1)c1ccc(N(C)C)cc1	183359151	QLSCANNIEAUUKI-ZDUSSCGKSA-N	291.395	1.262	10	20	CDCD	
O=[N+]([O-])c1ccc(O)c(CNC[C@@H]2CCCC[C@H]2O)c1	124285722	AOILCAVENCNRFM-GXFFZTMASA-N	280.324	1.941	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NCCN1CCCCC1	180657908	JRCGLIPELMECFD-FNORWQNLSA-N	290.363	1.713	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCN(C2CCCC2)CC1	126382744	MZERUGDQABQJSU-UHFFFAOYSA-N	290.363	1.798	10	20	CDCD	
Cc1cc(O)c(CN2C[C@@H](CO)O[C@H](C)C2)cc1C	191524684	XXPQXNFVORGERC-OCCSQVGLSA-N	265.353	1.591	10	20	CDCD	
CC1(C)CCC[C@]1(O)CNC(=O)c1cccc(O)c1O	294476289	RFGLMRQIEHKCMP-HNNXBMFYSA-N	279.336	1.769	10	20	CDCD	
C[C@@H]1O[C@H](C)[C@H](C(=O)NCCc2ccc(O)c(O)c2)[C@H]1C	528858288	STFSIEUYAVXUFL-KIGUWFBYSA-N	293.363	1.816	10	20	CDCD	
Nc1ccc(CC(=O)N2C[C@@H](N)[C@H](c3ccccc3)C2)cc1	261711275	KLTLDSHHBWBFAQ-DLBZAZTESA-N	295.386	1.765	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H](CCO)C(C)C)c(O)c1O	272722068	HPYGHIFITXRNHE-NSHDSACASA-N	267.325	1.543	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)C(C)(C)N1CCOCC1	278763997	GFAFSKXVBWGTDV-UHFFFAOYSA-N	292.379	1.461	10	20	CDCD	
CC(C)[C@H](NC(=O)c1cccc(O)c1O)c1nncn1C	286405025	LJQDSFFDGVBEMQ-NSHDSACASA-N	290.323	1.353	10	20	CDCD	
CC(C)[C@](C)(NC(=O)/C=C/c1ccc(O)c(O)c1)C(N)=O	287718243	FRSSZUCYSYQQLM-ZKKXHLJNSA-N	292.335	1.127	10	20	CDCD	
CCCN1C[C@@H](CNCc2c(O)cccc2OC)CC1=O	817410940	KGRVIMGWMNUQST-GFCCVEGCSA-N	292.379	1.749	10	20	CDCD	
CN(Cc1cc2c(cc1O)OC[C@@H]2O)C[C@@H]1CCCN1C	817373842	OVPGOQHSOUUGNW-WFASDCNBSA-N	292.379	1.344	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)c1cc2n(n1)CCCC2	827317455	UQURMZDULABBSQ-UHFFFAOYSA-N	287.319	1.561	10	20	CDCD	
C[C@@H]1COC[C@@H]1NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	903448814	TWRUJYZRYXXJTK-COXVUDFISA-N	291.439	1.980	10	20	CDCD	
CC[C@H](CNCc1ccc(N(C)C)cc1)C(=O)O	903705297	UGYGPBOMYWXNJB-GFCCVEGCSA-N	250.342	1.953	10	20	CDCD	
CCCN1CCC[C@@H](C(=O)NCc2ccc(O)c(O)c2)C1	907059065	FLMJYCUAURHPCC-CYBMUJFWSA-N	292.379	1.836	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)NCC[S@@](C)=O	735102562	JSVWPIFREGIKNF-HXUWFJFHSA-N	297.424	1.239	10	20	CDCD	
Cn1cc(C(C)(C)NC(=O)c2cc(O)cs2)cn1	839798558	HLPGXVJGNKGHPB-UHFFFAOYSA-N	265.338	1.852	10	20	CDCD	
CCN(C)c1ccc(CN2CC[C@H](O)[C@@H](CO)C2)cc1	839665043	GIYRMOQGITZBDP-ZBFHGGJFSA-N	278.396	1.318	10	20	CDCD	
NCC(F)(F)CNCc1cc(Cl)cc([N+](=O)[O-])c1O	841059655	JOKJMIBFKCMHGN-UHFFFAOYSA-N	295.673	1.637	10	20	CDCD	
C[C@H](CC(N)=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	749130006	OPGJGFBDEJZKKJ-CHWSQXEVSA-N	291.395	1.438	10	20	CDCD	
CN(c1ccc(/C=C\C(=O)O)cc1[N+](=O)[O-])C1CC(O)C1	844212588	JIBVZCLFBMXKPT-HYXAFXHYSA-N	292.291	1.652	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@H](C)CCCN)c1O	841081292	SRQWDCYXIMZKBK-SECBINFHSA-N	283.328	1.526	10	20	CDCD	
COc1cccc(CN[C@@H]2CCc3c(nnn3C)C2)c1O	848567002	NWOWBHOQCBAGGU-LLVKDONJSA-N	288.351	1.176	10	20	CDCD	
C[C@H](NCc1nncn1C)c1cc([N+](=O)[O-])ccc1O	756403111	WRDXFGUHMGCFOI-QMMMGPOBSA-N	277.284	1.280	10	20	CDCD	
COc1ccc(CNC(=O)N[C@H]2C[C@H](OC)C2)c(O)c1	858983239	FCNQARGTOBCGQO-UMSPYCQHSA-N	280.324	1.377	10	20	CDCD	
Oc1ccccc1CNc1c2c(nc3ncnn13)CCC2	865488334	ZZDQRHCQCYAUOU-UHFFFAOYSA-N	281.319	1.931	10	20	CDCD	
COC[C@@H](C)CS(=O)(=O)N[C@H](C)c1ccccc1O	867835124	UOCKLSAIOIHPDL-GHMZBOCLSA-N	287.381	1.655	10	20	CDCD	
COc1cccc(CNc2nccc(CO)n2)c1O	767191111	TYBUGTIPGZOJSV-UHFFFAOYSA-N	261.281	1.295	10	20	CDCD	
CCOCCN1CCN(Cc2c(C)cccc2O)CC1	876565541	XRGOXNICUQMFLG-UHFFFAOYSA-N	278.396	1.855	10	20	CDCD	
Cc1ccc(CN2CCC3(CC2)CNC(=O)O3)c(O)c1	877460384	QSAFCWQDXICUSM-UHFFFAOYSA-N	276.336	1.775	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC[C@H]2C[C@H](N)C2)c1	873255511	GVNPZOKUCIUJMF-GMTAPVOTSA-N	250.342	1.789	10	20	CDCD	
OCC1(O)CCN(Cc2ccc(N3CCCC3)cc2)CC1	1118631524	WPIOPNAPKVKNJY-UHFFFAOYSA-N	290.407	1.606	10	20	CDCD	
COc1ccc(N2CCN(CC[C@@H](C)O)CC2)c(OC)c1	879462805	XQLLJJIUUFQMSI-CYBMUJFWSA-N	294.395	1.597	10	20	CDCD	
Cc1nnccc1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	773768873	LYXNDSUGJGUTBP-SECBINFHSA-N	287.319	1.557	10	20	CDCD	
Cc1cc(CNC(=O)/C=C/c2ccc(O)c(O)c2)no1	779499736	OYONJRVTGWRHGE-HWKANZROSA-N	274.276	1.724	10	20	CDCD	
CN(CCNC(=O)N(C)C)Cc1cccc(Cl)c1O	779432302	QXOGFJLKORFRPG-UHFFFAOYSA-N	285.775	1.749	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H](N)CC2CC2)c1	884309990	LMSSOIXJSWMNHM-ZANVPECISA-N	278.352	1.705	10	20	CDCD	
CC[C@@H](OC)C(=O)OCC(=O)c1ccc(O)c(O)c1	783263092	GGRFEOLZISXGQP-GFCCVEGCSA-N	268.265	1.249	10	20	CDCD	
COc1cc(C)cc(CNCCOC[C@@H]2CCOC2)c1O	894227465	ZHIHQMMATHUMQT-CYBMUJFWSA-N	295.379	1.852	10	20	CDCD	
CC[C@@H](NC[C@@](C)(O)COC)c1ccc(F)cc1O	796762132	RNUNNALXOPUKHZ-TZMCWYRMSA-N	271.332	1.969	10	20	CDCD	
O=C1CC[C@H]2CN(Cc3c(O)ccc(Cl)c3F)CCN12	792165593	SNFIZZCTZICHIV-VIFPVBQESA-N	298.745	1.991	10	20	CDCD	
OCC1(CO)CCN(Cc2cc(F)cc(F)c2O)CC1	895473144	GIVLXXJYQXNTOY-UHFFFAOYSA-N	287.306	1.237	10	20	CDCD	
Oc1ccc(Cl)cc1CN[C@@H]1CCOC[C@H]1O	706723699	BGHAQCSCIUEYAI-ZYHUDNBSSA-N	257.717	1.285	10	20	CDCD	
CC(C)CNC(=O)[C@@H](C)N(C)Cc1ccccc1O	109772998	YGXKNSDYFAYYRH-GFCCVEGCSA-N	264.369	1.985	10	20	CDCD	
C[C@@H](CNCc1cc(F)cc(F)c1O)CN(C)C	708446186	ZRQUDEGWOMFMRU-VIFPVBQESA-N	258.312	1.958	10	20	CDCD	
Cn1cnc(CNC(=O)NCCc2ccc(N)cc2)c1	1336239702	LAZANLBVQUJSFF-UHFFFAOYSA-N	273.340	1.044	10	20	CDCD	
CC(=O)N1C[C@@H]2CN(Cc3ccc(N)cc3)C[C@@H]2C1	1262488059	OQXQVQPIRAVOMP-OKILXGFUSA-N	259.353	1.179	10	20	CDCD	
Nc1ccc(CNC(=O)NC[C@H]2CCCCCN2)cc1	1346685500	KKHCVEFLGLXDNR-CQSZACIVSA-N	276.384	1.600	10	20	CDCD	
CC1(C)C[C@@]1(C(=O)O)C(=O)NCCc1ccc(O)c(O)c1	1603321750	WULJVNCXLNPOOE-HNNXBMFYSA-N	293.319	1.257	10	20	CDCD	
Cc1c(CN[C@@H](C)c2cc(C(=O)O)ccc2O)cnn1C	1610414622	FYPQRWFLBXVUOG-VIFPVBQESA-N	289.335	1.983	10	20	CDCD	
COc1cc(C)c(CN2CCNC(C)(C)C2)c(O)c1	1579145015	RVDNPRGXKPBMHF-UHFFFAOYSA-N	264.369	1.893	10	20	CDCD	
CC(C)NC(=O)[C@H](C)N[C@H](C)c1cc(C(=O)O)ccc1O	1591640124	QEYIAKBDJSSQNP-ZJUUUORDSA-N	294.351	1.654	10	20	CDCD	
COc1cccc(CNC(=O)c2cccn2C)c1O	155517793	LHOQZIJYIYZLCY-UHFFFAOYSA-N	260.293	1.669	10	20	CDCD	
C[C@@]1(NCc2ccc(N3CCOCC3)cc2)CCOC1	120246539	YETILPAIJHBMBH-MRXNPFEDSA-N	276.380	1.792	10	20	CDCD	
CO[C@H]1C[C@H](NC(=O)c2cccc(O)c2O)C1(C)C	229413210	IGXHKEWYKVLCBC-QWRGUYRKSA-N	265.309	1.641	10	20	CDCD	
C[C@@H](NC[C@H]1CCS(=O)(=O)C1)c1ccc(N(C)C)cc1	38083401	ILYMOGJWYUVPTK-CHWSQXEVSA-N	296.436	1.838	10	20	CDCD	
C[C@@H](N[C@@H]1CC(=O)N(C)C1)c1ccc(N(C)C)cc1	268870742	UIZHOOZHMLLITG-DGCLKSJQSA-N	261.369	1.634	10	20	CDCD	
COC[C@@H]1CCCN(C(=O)c2cccc(O)c2O)C1	185648878	QGFOCCLLHYNFLB-SNVBAGLBSA-N	265.309	1.596	10	20	CDCD	
CN(C)CC(C)(C)NC(=O)Nc1ccc(N)cc1	308667976	QVELFODQYGFSMW-UHFFFAOYSA-N	250.346	1.731	10	20	CDCD	
CCn1cc(CN[C@@H]2CCc3cccc(O)c32)nn1	404428038	FOOZVJJIIJMZNP-GFCCVEGCSA-N	258.325	1.781	10	20	CDCD	
C[C@@H](NC(=O)[C@@H]1CC12CCNCC2)c1ccccc1O	870988376	NWDYUSPIFWWTRK-YPMHNXCESA-N	274.364	1.959	10	20	CDCD	
Cc1cc(C(=O)NC2(C(N)=O)CC2)c(C)n1-c1ccccn1	119726164	CPIVXRMXYBRMQB-UHFFFAOYSA-N	298.346	1.237	10	20	CDCD	
COc1ccc(O)c(CNC(=O)C[C@@H](C)OC)c1	114540985	IIRMWESKRZHVGB-SECBINFHSA-N	253.298	1.442	10	20	CDCD	
CC(C)[C@@H](CCO)NC(=O)Cc1ccc(N)cc1	157455985	MHDPUGQUBYCNEM-CYBMUJFWSA-N	250.342	1.335	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)Nc1ccc(C#N)nn1	183598346	GEHZPWJXPQTHKJ-VIFPVBQESA-N	270.292	1.803	10	20	CDCD	
Cc1cc(O)c(CN(C)CCS(C)(=O)=O)cc1C	76265717	QBGSJLFDAVEFFS-UHFFFAOYSA-N	271.382	1.485	10	20	CDCD	
CC(C)C(=O)NCc1ccc(N2CCOCC2)c(F)c1	48800595	XCOCHUPPYGVMTI-UHFFFAOYSA-N	280.343	1.935	10	20	CDCD	
CN(C)CCNC(=O)NCc1ccc(N2CC=CC2)cc1	133732885	VKSRPJVETQIOEZ-UHFFFAOYSA-N	288.395	1.424	10	20	CDCD	
CC(C)N1CCC(O)(CNCc2ccccc2O)CC1	268415031	JECPTINEAZTEQD-UHFFFAOYSA-N	278.396	1.717	10	20	CDCD	
COc1cccc(CNC(=O)CCc2nc(C)no2)c1O	264298244	WPSBDCWCVCYLSL-UHFFFAOYSA-N	291.307	1.341	10	20	CDCD	
COc1cc(O)c(CN2CC[C@](O)(C3CC3)C2)cc1OC	369677487	XJIWEHJIZPUZCP-MRXNPFEDSA-N	293.363	1.756	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CCO[C@@H]2CCC[C@H]21	272480794	QPQSUEHXMUKYBK-QKOWSDGPSA-N	289.331	1.891	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CC([C@@H]2CCOC2)C1	366256507	UYYPLMUKOYVVKM-FXMSTWTQSA-N	289.331	1.606	10	20	CDCD	
Cc1ccc(C(=O)N2CC[S@](=O)[C@@H](C)[C@H]2C)c(O)c1O	272801498	YONKCDMEGCZAPM-ARNPGYACSA-N	297.376	1.388	10	20	CDCD	
CN(C)c1ccc(CN2CC[C@@H](CC(N)=O)C2)cc1	377527574	YCEVETACDYCQPT-ZDUSSCGKSA-N	261.369	1.450	10	20	CDCD	
Cc1ccc(O)c(CN2CCOC[C@H]2c2noc(C)n2)c1	374819258	MDXQOYYBINFSJV-ZDUSSCGKSA-N	289.335	1.966	10	20	CDCD	
Cc1cc(O)c(CN2CCN(C[C@@H](C)O)C[C@H]2C)cc1C	284250555	FPLDKKFJOUEBHX-HUUCEWRRSA-N	292.423	1.896	10	20	CDCD	
C[C@H]1COCCN1CC(=O)NCc1ccc(N(C)C)cc1	297979863	WAWHIDGHAPAPGN-ZDUSSCGKSA-N	291.395	1.090	10	20	CDCD	
CCCNS(=O)(=O)N(C)Cc1ccc(N(C)C)cc1	291620885	AGBGFIOCSLJOET-UHFFFAOYSA-N	285.413	1.429	10	20	CDCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CO	294555595	SOHASWCFKNQOPE-UHFFFAOYSA-N	250.342	1.482	10	20	CDCD	
C[C@H]1COCC[C@H]1CNC(=O)c1cc(O)cs1	807704172	UHPRSBOYEUJITK-IUCAKERBSA-N	255.339	1.856	10	20	CDCD	
Cc1cc(Cl)cc([C@@H](C)NC[C@@H]2CNCCO2)c1O	817983005	JKZUBDMPVPUDCP-PWSUYJOCSA-N	284.787	1.993	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)c2cccnc2O)c1	728979561	IHUGPQWQXMGGEC-VIFPVBQESA-N	288.303	1.992	10	20	CDCD	
O=C(NCC[C@@H](O)C1CC1)c1c(F)ccc(O)c1O	900839893	VXOZQNLGKQAENB-SECBINFHSA-N	269.272	1.128	10	20	CDCD	
O=C(NCc1ccccc1O)[C@@]1(Cl)C[C@H]2CC[C@H]1O2	907055717	HPUAQPACAUXUSS-MPKXVKKWSA-N	281.739	1.937	10	20	CDCD	
CCN(CC)C(=O)CCCNC(=O)c1cc(O)cs1	732270588	QCBHVNVJVJAJHN-UHFFFAOYSA-N	284.381	1.832	10	20	CDCD	
CNC(=O)C[C@H](C)N[C@H](C)c1cc(C(=O)OC)ccc1O	834898621	ABICIMYAIKHBJW-VHSXEESVSA-N	294.351	1.354	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CCCC(=O)O)cc1F	844245140	BAYALIYRALFLQP-UHFFFAOYSA-N	282.315	1.763	10	20	CDCD	
COc1ccc(N2CCC(NCC(C)(C)N)CC2)cc1	841029831	BEXKQTPOMNULHS-UHFFFAOYSA-N	277.412	1.991	10	20	CDCD	
COCC[C@H](CO)N[C@H](C)c1cccc(OC)c1O	846167943	PHLVZUCJTMLWSQ-GHMZBOCLSA-N	269.341	1.449	10	20	CDCD	
CCn1ncnc1CN(C)c1ccc(OCC(=O)O)cc1	846280185	UMTNIEMZJLLBEX-UHFFFAOYSA-N	290.323	1.398	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H]2CO[C@@H](C)C2)c1O	843431799	DSYVIHIFNVQZQG-WPRPVWTQSA-N	282.296	1.576	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCC[C@@H]1CN1CCOCC1	743728612	UKYHCDQWKNUAAI-LLVKDONJSA-N	296.392	1.391	10	20	CDCD	
C[C@H](O)C[C@H]1CCCN1C(=O)NCCc1ccc(N)cc1	841958971	JFWAKCLANQMNCK-SWLSCSKDSA-N	291.395	1.756	10	20	CDCD	
CCOc1ccc(O)c(CNC[C@]2(COC)CCCN2)c1	841067260	MBOWNEPWQFMRQQ-INIZCTEOSA-N	294.395	1.649	10	20	CDCD	
CC(=O)N1CCN(c2ccc(OC[C@@H](C)O)cc2)CC1	840753864	YGMCUMVRWJGIPO-GFCCVEGCSA-N	278.352	1.115	10	20	CDCD	
C[C@H]1OCC[C@H]1C(=O)N(CC(=O)O)Cc1ccccc1O	911483955	HELHWJFRAVYINA-ZYHUDNBSSA-N	293.319	1.230	10	20	CDCD	
Oc1c(F)cc(Cl)cc1CNC[C@@H]1C[C@H](F)CN1	841080796	ZWRROYSCSXRHJQ-UWVGGRQHSA-N	276.714	1.974	10	20	CDCD	
CC[C@H]1CN(C(=O)NCCc2ccc(N)cc2)CCO1	841957624	SYELTBKAGSNJKS-AWEZNQCLSA-N	277.368	1.632	10	20	CDCD	
C[C@@H]1CN(C(=O)NCCc2ccc(N)cc2)CCO1	841955510	FLLRTHZGVSMBKE-LLVKDONJSA-N	263.341	1.242	10	20	CDCD	
Cc1nonc1CC(=O)N(C)Cc1ccccc1O	845792273	SUVWQDKISGLFFU-UHFFFAOYSA-N	261.281	1.285	10	20	CDCD	
Cc1cc(CN[C@@H]2C(=O)NCC2(C)C)ccc1N(C)C	925433748	FYIUWTHVUPOZNO-CQSZACIVSA-N	275.396	1.675	10	20	CDCD	
COc1cccc([C@@H](C)N[C@H](C)C(=O)N(C)OC)c1O	858588604	KHRXAUDGMDJSGW-NXEZZACHSA-N	282.340	1.460	10	20	CDCD	
C[C@H]1CN(CCNCc2ccc3c(c2)CCCO3)CCO1	921689603	IXRPWPGHNGLTGG-AWEZNQCLSA-N	290.407	1.822	10	20	CDCD	
Oc1ccc(CCNc2ncnc3nccnc23)cc1O	752631884	HPXBESFTSQHCEK-UHFFFAOYSA-N	283.291	1.486	10	20	CDCD	
CO[C@H]1C[C@H](NCc2ccc(N3CCOCC3)c(F)c2)C1	858321583	AIBFSTDCRHUUSO-HDJSIYSDSA-N	294.370	1.929	10	20	CDCD	
COc1ccc(N2CCC(NC/C=C/CO)CC2)cc1	850357565	NUYVPSGQVBPXCH-NSCUHMNNSA-N	276.380	1.802	10	20	CDCD	
CON(C)C(=O)[C@@H](C)N[C@@H]1CCc2cccc(O)c21	858588898	UEKJBDGYIDANIV-MWLCHTKSSA-N	264.325	1.377	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)C1(c2ccccn2)CC1	866770570	YYAQMKSETWAUOT-UHFFFAOYSA-N	284.315	1.841	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)CCc2cn[nH]c2)c1	863866062	PPELOCBJXGXSIA-SNVBAGLBSA-N	289.335	1.934	10	20	CDCD	
C[C@]1(O)CCN(Cc2ccc(N3CCC(O)CC3)cc2)C1	876790710	CKBQGWOKYWFVPO-KRWDZBQOSA-N	290.407	1.604	10	20	CDCD	
Cc1ccc(CN2CC[S@](=O)C[C@@H](C)C2)c(O)c1	877477682	HJPYEXJJMHVSPH-SGTLLEGYSA-N	267.394	1.901	10	20	CDCD	
CN1CC[C@@H](N(C)Cc2ccc(N(C)C)cc2)C1=O	269556922	ZLMZPDZYBLWBBE-CQSZACIVSA-N	261.369	1.415	10	20	CDCD	
C[C@H](NC(=O)N(CCO)C1CC1)c1ccc(N(C)C)cc1	776243514	CTYXANCIFJBOTA-LBPRGKRZSA-N	291.395	1.980	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CN2C[C@@H]3C[C@H]3C2)cc1	886341429	VBXTVQAPTBVQPJ-KBPBESRZSA-N	273.380	1.321	10	20	CDCD	
CN1CCCc2cc(CNC(=O)[C@@H](N)CC3CC3)ccc21	884205067	LKYPMGQABXEVIK-HNNXBMFYSA-N	287.407	1.813	10	20	CDCD	
CCCCNC(=O)COC(=O)/C=C\c1ccc(O)c(O)c1	772774686	JVRRETVNYOPDQX-ALCCZGGFSA-N	293.319	1.571	10	20	CDCD	
CO[C@H](C)CNC(=O)NCc1ccc(N(C)C)cc1C	785874097	ZGBVYWAAKNHNII-GFCCVEGCSA-N	279.384	1.895	10	20	CDCD	
CCOC[C@@H](O)CN(C)c1ccc(OCC(=O)OC)cc1	784565664	LIZJWBQHRIBUSU-ZDUSSCGKSA-N	297.351	1.072	10	20	CDCD	
Oc1c(F)cc(Cl)cc1CNC[C@@H]1COCO1	894876680	TUIIBULOZVGNEX-SECBINFHSA-N	261.680	1.647	10	20	CDCD	
CC(C)[C@@H](F)C(=O)OCC(=O)c1ccc(O)c(O)c1	784876026	ONTVVIVVVMMNCA-GFCCVEGCSA-N	270.256	1.818	10	20	CDCD	
COc1cc(C)cc(CN(CCO)CC(F)F)c1O	894613357	AZHKOVAZEOCYGG-UHFFFAOYSA-N	275.295	1.769	10	20	CDCD	
C[C@H](N)C[C@H](C)NC(=O)N[C@H](C)c1ccccc1O	892199308	MCNNFESQXSANSE-GARJFASQSA-N	265.357	1.878	10	20	CDCD	
C[C@@H](NC[C@H]1CN(C)CCN1C)c1ccc(F)cc1O	68803344	DWKMDSKKRSJBCA-YPMHNXCESA-N	281.375	1.428	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N[C@H]1CN2CCC1CC2	1339142814	VAHFESCKZAXVLF-OHVSUOQFSA-N	288.347	1.321	10	20	CDCD	
COCCC1(C)CN(C(=O)NCc2ccc(N)cc2)C1	1262603415	ICGINCTXLSNZCI-UHFFFAOYSA-N	277.368	1.837	10	20	CDCD	
CN(Cc1ccccc1O)c1nnc([C@@H]2CC=NO2)n1C	1350896312	YQFLNYHNXGHZHP-LBPRGKRZSA-N	287.323	1.604	10	20	CDCD	
O=C(O)[C@@]1(CNCc2cccc(F)c2O)CCOC1	1601708595	WLTWJNJYWKCKEF-CYBMUJFWSA-N	269.272	1.112	10	20	CDCD	
O=C(O)[C@@H]1CNCCCN1Cc1cc(Cl)ccc1O	1601852333	FHTUAYMUVJKRBO-NSHDSACASA-N	284.743	1.294	10	20	CDCD	
CC[C@H](CNC(=O)c1ccc(C)c(O)c1O)C(=O)O	1573804440	UYVLOTMCMWRACU-MRVPVSSYSA-N	267.281	1.247	10	20	CDCD	
CC[C@H](N[C@@H](C)c1cc(C(=O)OC)ccc1O)C(=O)O	1593623375	XYCYXAIUKCISAB-KWQFWETISA-N	281.308	1.693	10	20	CDCD	
CCCN(C)S(=O)(=O)NCc1cccc(OC)c1O	161105152	GGWCVEXDYAYJBN-UHFFFAOYSA-N	288.369	1.077	10	20	CDCD	
Cc1cccc(CN2CCN([C@H]3CCOC3)CC2)c1O	827120749	VOZVVKLDWZTUKW-HNNXBMFYSA-N	276.380	1.607	10	20	CDCD	
CO[C@@H]1C[C@@H](NC(=O)Cc2ccc(N)cc2)C1(C)C	226379989	NVMFPIIKHPVFDG-CHWSQXEVSA-N	262.353	1.741	10	20	CDCD	
CCOc1cccc(CNC[C@H]2CCN2C)c1O	712536597	UMAFCCRNNFBFCB-GFCCVEGCSA-N	250.342	1.585	10	20	CDCD	
COC[C@@](C)(O)CN[C@@H](C)c1ccc(N(C)C)cc1	382570595	QVZOPCDYCOEEDO-WFASDCNBSA-N	266.385	1.801	10	20	CDCD	
CO[C@@H]1COC[C@@H]1NCc1cc(Cl)ccc1O	839192766	LMWHBRXVFZWCSI-CMPLNLGQSA-N	257.717	1.549	10	20	CDCD	
COc1ccc(O)c(CNC(=O)CC[C@@H]2CCOC2)c1	176146814	YPYSGKRWBOZQKB-LLVKDONJSA-N	279.336	1.834	10	20	CDCD	
COc1cc(O)c(CNCC(C)(C)O)cc1OC	182216719	PSOBUYBDLSMTBM-UHFFFAOYSA-N	255.314	1.270	10	20	CDCD	
C[C@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)CCO1	180614440	RRPZKLWWUQSBTR-GFAPAMAISA-N	263.293	1.358	10	20	CDCD	
COCCOC[C@H](O)CNc1ccccc1OC	234922234	QPSRNUUCUIYCRF-LLVKDONJSA-N	255.314	1.131	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N[C@H]2CC[C@H](O)CC2)cc1	269992960	TUZQWVHBLONDDL-CTYIDZIISA-N	291.395	1.855	10	20	CDCD	
C[C@@H](NC[C@@H]1CN(C)CCN1C)c1cc(Cl)ccc1O	273610934	VTWVESFEYFFBDP-DGCLKSJQSA-N	297.830	1.942	10	20	CDCD	
CC(=O)OC(C)(C)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	275672330	OQUOVFGEGRDPQZ-VIFPVBQESA-N	295.335	1.487	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCO[C@@H]([C@@H]2CCCO2)C1	363926644	KHIGWCBZEZBHBZ-QWHCGFSZSA-N	293.319	1.118	10	20	CDCD	
CCOc1cccc(CN2CCn3cnnc3[C@@H]2C)c1O	276748340	FEPDGLHDKJSAGE-NSHDSACASA-N	288.351	1.959	10	20	CDCD	
Cc1ccc(C(=O)N2CCC(CC(N)=O)CC2)c(O)c1O	271247354	GLEPTNYAMDKLPG-UHFFFAOYSA-N	292.335	1.134	10	20	CDCD	
Cc1ccc(C(=O)N[C@H]2CCc3c[nH]nc3C2)c(O)c1O	371583708	ZZWDPXKPWIDZPE-JTQLQIEISA-N	287.319	1.417	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@H](CO)C(C)C)c1	273586793	NYOSCDJQBUQFFV-GXFFZTMASA-N	281.352	1.846	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)[C@@H](C)CN)cc1	285809110	RJEGCGZYXGDHHS-LBPRGKRZSA-N	263.385	1.744	10	20	CDCD	
CN(C)S(=O)(=O)CCSc1nccs1	285003778	CWJSOLQGBMBQIU-UHFFFAOYSA-N	252.386	1.127	10	20	CDCD	
COC(=O)c1cnc(SC[C@@H]2CNC(=O)O2)s1	295167493	HWEVCIYZHWUEAC-YFKPBYRVSA-N	274.323	1.130	10	20	CDCD	
CO[C@@H](C)C(=O)NCc1ccc2c(c1)CCCN2C	299400910	XJBXYEXTBKOCCS-NSHDSACASA-N	262.353	1.720	10	20	CDCD	
COc1cccc(CN2CCC[C@@H](O)CC2)c1O	294056250	PSXQZMSDTUUZKM-GFCCVEGCSA-N	251.326	1.748	10	20	CDCD	
CC[S@](=O)CC(=O)NCc1ccc(N(C)C)c(F)c1	295287431	PWAZHJCXIIGACG-IBGZPJMESA-N	286.372	1.277	10	20	CDCD	
Cc1cc(O)c(CNC2CC(NS(C)(=O)=O)C2)cc1C	800891054	FBEDMCIBURMPMF-UHFFFAOYSA-N	298.408	1.179	10	20	CDCD	
CC(C)[C@H](O)C(=O)NCc1c(O)ccc2c1CCCC2	292207816	PSQJXHDVKJQFNC-HNNXBMFYSA-N	277.364	1.904	10	20	CDCD	
CO[C@H]1COC[C@@H]1N[C@H](C)c1cc(C)ccc1O	290305195	ZEMAVTXOHHCWRO-OSMZGAPFSA-N	251.326	1.765	10	20	CDCD	
Cc1cc(Cl)cc([C@@H](C)NCc2nnn(C)n2)c1O	808716916	ZILNKMUODUCTKF-MRVPVSSYSA-N	281.747	1.728	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](N)C2CCC2)c1	817996586	KLFCCUXCNHMEPU-OTYXRUKQSA-N	278.352	1.705	10	20	CDCD	
O=C1CN(Cc2ccccc2O)C(=O)N1C[C@H]1CCOC1	819164540	JREYCFXSSJALDE-LLVKDONJSA-N	290.319	1.193	10	20	CDCD	
Cc1cc(CN2CCN3C(=O)OC[C@H]3C2)ccc1N(C)C	815061962	CNLARYKOMIPKPR-CQSZACIVSA-N	289.379	1.697	10	20	CDCD	
Cc1ccc([C@@H](C)NC[C@H]2CNCCO2)c(O)c1C	817983602	OOFIKZGLGXPUEF-CHWSQXEVSA-N	264.369	1.648	10	20	CDCD	
COc1ccc(O)c(CN(C)Cc2cn(C)nn2)c1	827304877	IEOXRVNIDCRMDY-UHFFFAOYSA-N	262.313	1.161	10	20	CDCD	
COc1ccc(CN[C@H](C)Cc2cnccn2)c(O)c1	725849635	SOFCJBLHAKAAGD-LLVKDONJSA-N	273.336	1.912	10	20	CDCD	
COC(=O)C1(C)CN(Cc2ccc(N(C)C)cc2)C1	822534609	PQPZODPGBSUQFI-UHFFFAOYSA-N	262.353	1.748	10	20	CDCD	
COc1cc(C)cc(CN2CC[C@H](C(=O)O)C2)c1O	820758965	AYVIWUNAPHUKTC-JTQLQIEISA-N	265.309	1.616	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)NCc1ccccn1	588403346	HMEWSHKQURXPKP-ALCCZGGFSA-N	270.288	1.822	10	20	CDCD	
CC[C@@]1(C(=O)N[C@H](C)c2ccccc2O)CCNC1=O	827917631	ONPGISMPGGRINK-MEBBXXQBSA-N	276.336	1.486	10	20	CDCD	
CO[C@@H](C)CC(=O)NC[C@@H](N)c1ccc(N(C)C)cc1	832282012	XFWKUIQJBDQZAP-SMDDNHRTSA-N	279.384	1.294	10	20	CDCD	
O=C(NCCOC(F)(F)F)c1c(F)ccc(O)c1O	830195225	RGRVTWDMSLDBSM-UHFFFAOYSA-N	283.177	1.503	10	20	CDCD	
C[C@H](NC(=O)c1cc(O)cs1)[C@@H](C)N1CCOCC1	732288369	QYVOEBKCQHQGBE-VHSXEESVSA-N	284.381	1.293	10	20	CDCD	
CCOc1cccc(CNC[C@@H]2C[C@H](F)CN2)c1O	841080733	YCJDMXILAUWKDZ-RYUDHWBXSA-N	268.332	1.581	10	20	CDCD	
CC(C)(C)c1cc(O)c(O)c(CN2C[C@H]3C[C@H]2C(=O)O3)c1	840110768	JVQAVNQWICYFHF-NEPJUHHUSA-N	291.347	1.895	10	20	CDCD	
CNC[C@H]1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2O)C1	843052128	GUBUPQQJMZZELM-SECBINFHSA-N	299.758	1.995	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2C[C@@H](C)NC[C@@H]2C)c1O	842474594	VRNQDCXRTLIQSH-ZJUUUORDSA-N	280.343	1.916	10	20	CDCD	
CCN(C)c1ccc(CN2CCC(C(N)=O)CC2)cc1	741753080	LYYKJDQNCKTJHS-UHFFFAOYSA-N	275.396	1.840	10	20	CDCD	
NCC[C@H](NCc1cc2c(cc1O)OCO2)C(F)F	841073554	ZDUDNBLQWPNBLW-QMMMGPOBSA-N	274.267	1.193	10	20	CDCD	
O=C(O)CSCCC(=O)NCc1ccccc1O	911328015	IDQAFMMXECIIBP-UHFFFAOYSA-N	269.322	1.216	10	20	CDCD	
COC(=O)[C@@H]1CN(C(=O)c2cc(O)cs2)C[C@H]1C1CC1	846661481	BEOAHPDUAYFYTC-WDEREUQCSA-N	295.360	1.725	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN(C)CCS(C)(=O)=O	840909525	DXQAASQGMWVLMK-UHFFFAOYSA-N	284.425	1.537	10	20	CDCD	
Cn1nnc2c1CC[C@H](NCc1cc(Cl)ccc1O)C2	848567647	YRVJAXPVZSGZGE-NSHDSACASA-N	292.770	1.821	10	20	CDCD	
COc1cccc([C@H](C)NCC(=O)NCC(F)F)c1O	846167966	PMNDGIAOFPXJHC-QMMMGPOBSA-N	288.294	1.433	10	20	CDCD	
Nc1ccc(CCNC(=O)N2CC[C@H]3CC[C@@H](C2)N3)cc1	841955648	IZHFMHUBQFLCDR-CABCVRRESA-N	288.395	1.347	10	20	CDCD	
C[C@@H](Oc1ccccn1)C(=O)NCc1ccccc1O	857472506	VPLNYIXPZKUIJO-LLVKDONJSA-N	272.304	1.871	10	20	CDCD	
O=C(N[C@@H]1CCO[C@H]1C1CC1)c1cc(O)cs1	928054529	VRTIEJPVHLQGSD-KOLCDFICSA-N	253.323	1.751	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)OC[C@H]1CCCO1	759579705	NXDXOTBGKMTIDZ-VLWUPBBWSA-N	264.277	1.833	10	20	CDCD	
C[C@H]1C[C@H](NCc2ccc(N3CCC(O)CC3)cc2)CO1	850406936	ZLXLQPWSSBVSGD-ZFWWWQNUSA-N	290.407	1.915	10	20	CDCD	
c1cc(N2CCOCC2)ccc1CN1CCc2c[nH]nc2C1	769468486	JPDHCHVARNPIAZ-UHFFFAOYSA-N	298.390	1.805	10	20	CDCD	
C[C@@H](NC(=O)N[C@H]1CCN(C2CC2)C1)c1ccccc1O	868366708	VMVDXAJUWPGTDP-NEPJUHHUSA-N	289.379	1.989	10	20	CDCD	
COc1cc(CN2CC[C@@H](OC)C2)c(O)cc1C	768463103	GIKJFPLSACGEJH-GFCCVEGCSA-N	251.326	1.930	10	20	CDCD	
CN(Cc1ccccc1O)S(=O)(=O)CCn1cccn1	866835262	WNVQFPWXHZOGBW-UHFFFAOYSA-N	295.364	1.051	10	20	CDCD	
Cn1nccc1CCNC(=O)NCc1ccccc1O	762596175	CHSZOZCGHWFASG-UHFFFAOYSA-N	274.324	1.168	10	20	CDCD	
CN(C)c1cc(F)c(CNC[C@@H](F)C(=O)O)cc1F	1118920946	YJWNCHAGHLTAQC-SNVBAGLBSA-N	276.258	1.543	10	20	CDCD	
Cc1cccc(O)c1CNC[C@@]1(O)CCO[C@H]1C	877489939	RCOSPYBTVVEHNL-FZMZJTMJSA-N	251.326	1.330	10	20	CDCD	
CC1(O)CN(Cc2cc(Cl)cc([N+](=O)[O-])c2O)C1	877581179	PKMWBIKAEQFGIV-UHFFFAOYSA-N	272.688	1.520	10	20	CDCD	
COc1ccc(CN[C@@H](C)C[C@H]2CCCC(=O)N2)c(O)c1	877493156	HICZICCLEVNJDM-WCQYABFASA-N	292.379	1.938	10	20	CDCD	
C[C@H]1CN(C(=O)CN[C@H](C)c2ccccc2O)C[C@@H](C)O1	879647575	FCRLGEQUFJBEJR-FRRDWIJNSA-N	292.379	1.679	10	20	CDCD	
Cc1ccc(CNCCS(=O)(=O)CC2CC2)c(O)c1	877110427	UXIHFURBWLCKCN-UHFFFAOYSA-N	283.393	1.615	10	20	CDCD	
O=S1(=O)CCN(Cc2ccccc2O)[C@H]2CCCC[C@@H]21	779016261	DCTHKSUEAZBCGO-ZFWWWQNUSA-N	295.404	1.934	10	20	CDCD	
Cc1cnn(CC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1	773768732	ZZBAGWGBXZUOSO-LLVKDONJSA-N	289.335	1.350	10	20	CDCD	
CO[C@@H]1CN(C(=O)NCc2ccc(N)cc2)CC[C@@H]1C	1120592478	YOSKERKRTLOQLC-SMDDNHRTSA-N	277.368	1.835	10	20	CDCD	
Cc1nccn1Cc1cn(Cc2ccc(N(C)C)cc2)nn1	881272007	IYESBCIWWZUOMY-UHFFFAOYSA-N	296.378	1.946	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)CCCC(N)=O)c1	787445473	LXZDVENVXXYLQK-VIFPVBQESA-N	280.324	1.234	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCC[C@H]1c1ncccn1	898966954	KNHACMILTCROSM-NSHDSACASA-N	285.303	1.865	10	20	CDCD	
Cc1ccc(C(=O)NCCCO[C@H]2CCOC2)c(O)c1O	780967033	OMWMWUHSKORXGG-NSHDSACASA-N	295.335	1.332	10	20	CDCD	
C[C@@H](NC(=O)N[C@@H]1CC[C@@H](CN)C1)c1ccccc1O	892170189	PYBNWPXADWDQIH-IJLUTSLNSA-N	277.368	1.880	10	20	CDCD	
C[C@@H]1CN(Cc2cc(Cl)c(F)cc2O)C[C@@H]1O	897681056	YIHRWUOVYXVULK-KRTXAFLBSA-N	259.708	1.997	10	20	CDCD	
COc1cc(Cl)cc(CN2CCO[C@@H](OC)C2)c1O	895969197	ZEGMDNAUQDVYPB-GFCCVEGCSA-N	287.743	1.859	10	20	CDCD	
c1cc(N2CCCC2)ccc1CNC[C@@H]1COCCN1	1329224375	XFEGNUYVBOVFPY-OAHLLOKOSA-N	275.396	1.365	10	20	CDCD	
COc1cccc(O)c1CNC[C@@H]1CCCOC1	725847685	QFJFEVXRXBXMSV-NSHDSACASA-N	251.326	1.917	10	20	CDCD	
C[C@@H]1CCNC(=O)[C@H]1NCc1ccc(N2CCCC2)cc1	1339876773	YRBWOUMFNSWQMU-CJNGLKHVSA-N	287.407	1.901	10	20	CDCD	
CN[C@@H](C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	1345639065	XNHUIOYRSPTGRA-SWLSCSKDSA-N	292.427	1.079	10	20	CDCD	
CN(C)CC1(C(=O)NCc2cccc(O)c2O)CC1	1263894409	FSYLXCYBWNGNAX-UHFFFAOYSA-N	264.325	1.056	10	20	CDCD	
Nc1ccc(CNC(=O)[C@H]2CCCCC[C@H]2N)cc1	1343471723	AIKKNUGZEQJSMV-UONOGXRCSA-N	261.369	1.793	10	20	CDCD	
C[C@@H](NC1CCOCC1)c1cc(C(=O)O)ccc1O	1604330162	VTMPBBJQDHVUBO-SECBINFHSA-N	265.309	1.920	10	20	CDCD	
Cc1ccc(CN[C@](C)(Cn2cccn2)C(=O)O)c(O)c1	1600419039	IQSBQLMBTUEZOI-OAHLLOKOSA-N	289.335	1.530	10	20	CDCD	
C[C@H](C(=O)O)N(C(=O)/C=C\c1ccc(O)c(O)c1)C1CC1	1602814157	GDYOYBOXNFNNOP-SEYNBYMXSA-N	291.303	1.575	10	20	CDCD	
CNC[C@@H]1C[C@H](F)CN1Cc1ccc(C)cc1O	1578734684	UEXWUBIOARQBMW-STQMWFEESA-N	252.333	1.832	10	20	CDCD	
C[C@@H]1CCN(C(=O)c2cc(O)cs2)C[C@H]1C(=O)O	1589348736	UOXLIMOAKSCULJ-VXNVDRBHSA-N	269.322	1.637	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@H]2C[C@@H](C(=O)O)C2)c1O	1594047701	CWJRXRMPCHWKBP-DTORHVGOSA-N	296.279	1.262	10	20	CDCD	
CN(CC12CC(CN1)C2)c1ccc(OCC(=O)O)cc1	1598446457	FFCLZWYHJLEUFB-UHFFFAOYSA-N	276.336	1.338	10	20	CDCD	
COc1ccc(N(CC(N)=O)Cc2ccco2)cc1F	150863292	KBRUETAKBJGWKX-UHFFFAOYSA-N	278.283	1.919	10	20	CDCD	
CC(C)(C)[C@@H](CO)NC(=O)Nc1ccc(N)cc1	841295770	FWQRSDLOCDWTOC-LLVKDONJSA-N	251.330	1.797	10	20	CDCD	
CCNC(=O)CN(C)Cc1cc(Cl)cc(OC)c1O	228630943	ORZGIFUHSNRSIJ-UHFFFAOYSA-N	286.759	1.622	10	20	CDCD	
CCn1cnnc1CN[C@@H](C)c1ccc(F)cc1O	230658826	RECKMUOKLLKWKZ-VIFPVBQESA-N	264.304	1.994	10	20	CDCD	
C[C@@H](NCc1ccc(N(C)C)cc1)c1nncn1C	37016657	DBIUWJIDOOAXHP-LLVKDONJSA-N	259.357	1.732	10	20	CDCD	
CCCN(CC(N)=O)Cc1cccc(Cl)c1O	310309899	DNDXAYNNMFJCOI-UHFFFAOYSA-N	256.733	1.743	10	20	CDCD	
C[C@@H](O)C1CCN(C(=O)Cc2ccc(N)cc2)CC1	82284178	PZTVZPQNSVMXKN-LLVKDONJSA-N	262.353	1.431	10	20	CDCD	
CC(C)[C@](C)(O)CNC(=O)NCc1ccc(N(C)C)cc1	304049524	KJHFUOFYVWOGDR-MRXNPFEDSA-N	293.411	1.959	10	20	CDCD	
O=[N+]([O-])c1cc(Cl)cc(CN2CC[C@@H](O)C2)c1O	126330848	PMWVJJNGNQBTBO-SECBINFHSA-N	272.688	1.520	10	20	CDCD	
C[C@H]1CN(Cc2ccccc2O)CCN1CC(C)(C)O	188897699	OURZCNNFUSZCPM-ZDUSSCGKSA-N	278.396	1.669	10	20	CDCD	
CC1(C)[C@@H](NCc2cc([N+](=O)[O-])ccc2O)C[C@H]1O	183769947	XBCVZQIKLMHYQR-NWDGAFQWSA-N	266.297	1.549	10	20	CDCD	
COc1cccc(CNCc2nc(N(C)C)no2)c1O	191901820	YLWYCMCNCPIEKN-UHFFFAOYSA-N	278.312	1.140	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cccnn1	193962444	HOLPSCMOGASFCG-VIFPVBQESA-N	288.307	1.641	10	20	CDCD	
C[C@@H]1O[C@H](C)[C@H](C(=O)NCc2ccc(O)c(O)c2)[C@H]1C	528859776	FXSQBCCLUOBAPY-LFNDISMMSA-N	279.336	1.774	10	20	CDCD	
Cc1ccc([C@@H](C)NC[C@@H]2COCCN2)c(O)c1	530228165	YCUHKWLPBQQEPF-VXGBXAGGSA-N	250.342	1.340	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)[C@H]1CCNC1=O	269456094	GZDGEZASYAXEJC-AWEZNQCLSA-N	261.369	1.463	10	20	CDCD	
COc1cccc(CN2CC[C@@H](C)[S@](=O)CC2)c1O	277289638	AEDLXYYZYZROQR-NSPYISDASA-N	283.393	1.744	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1cncn1C	277538021	VCKAZTHCBHEOGO-UHFFFAOYSA-N	272.352	1.758	10	20	CDCD	
COc1ccc(CN[C@@H]2CCCN(CCCO)C2)cc1C	295118809	MXGYBXZFBMTMOP-MRXNPFEDSA-N	292.423	1.940	10	20	CDCD	
COc1ccc(N2CC[C@H](CN[C@@H](C)C3CNC3)C2)cc1	818614802	GPKBJPDSWRIENP-UONOGXRCSA-N	289.423	1.719	10	20	CDCD	
COC[C@]1(CN[C@@H](C)c2cc(OC)ccc2O)CCCN1	817974192	JDRCWKBLFUYMTL-BLLLJJGKSA-N	294.395	1.820	10	20	CDCD	
CC[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)C(C)(C)O	818584737	WNXWUBHMWHKIML-WOLRVDTOSA-N	279.336	1.777	10	20	CDCD	
COC[C@@H](C)NC(=S)N[C@H](C)c1cc(OC)ccc1O	728793489	TWETZEYFXGJUSA-NXEZZACHSA-N	298.408	1.961	10	20	CDCD	
NC(=O)[C@H]1CCCN1Cc1ccc2ccccc2c1O	824960491	XFOPRVFCWPKUSM-CQSZACIVSA-N	270.332	1.995	10	20	CDCD	
COC[C@@H](C)NC(=S)N[C@@H](C)c1cc(OC)ccc1O	728793497	TWETZEYFXGJUSA-ZJUUUORDSA-N	298.408	1.961	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@H](C)[C@H](C)N	829764648	RNTVVCHOALQBHN-NEPJUHHUSA-N	263.385	1.661	10	20	CDCD	
COCCC1(CNC(=O)c2c(F)ccc(O)c2O)CC1	827081806	UYPLKPRCWOMUJM-UHFFFAOYSA-N	283.299	1.783	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CCN[C@@H]1C	829764740	VUWYXIMYVPBQIL-IUODEOHRSA-N	275.396	1.675	10	20	CDCD	
O=C(COC(=O)c1cc(O)cs1)NCC(F)(F)F	731910699	ASKZARRDHSMLBU-UHFFFAOYSA-N	283.227	1.289	10	20	CDCD	
C[C@@H](NC(=O)c1cnnc(O)c1)c1ccc(N(C)C)cc1	832431843	WKEQTWLVKXGYTJ-SNVBAGLBSA-N	286.335	1.739	10	20	CDCD	
CC(C)n1[nH]cnc1=NCc1cc(F)cc(F)c1O	905414603	PXZIYFIRZFIRBL-UHFFFAOYSA-N	268.267	1.877	10	20	CDCD	
COC[C@@H](C)CN(C)c1ccc(OCC(=O)O)cc1	902017885	YPHOESBHEDPXTA-NSHDSACASA-N	267.325	1.869	10	20	CDCD	
O=C(NCc1ccccc1O)C(=O)Nc1ccccc1	748485553	KPMHKJWBLVOCSX-UHFFFAOYSA-N	270.288	1.647	10	20	CDCD	
COC(=O)[C@@H](CNC(=O)c1cccc(O)c1O)CC1CC1	846458092	QOAUZBZCXYPIQV-SNVBAGLBSA-N	293.319	1.417	10	20	CDCD	
Cc1n[nH]c(C)c1CNC[C@@H](N)c1ccc(N(C)C)cc1	841043438	OINDHGAYQNXSMX-MRXNPFEDSA-N	287.411	1.882	10	20	CDCD	
CNCCN(C)Cc1ccc(N2CCOCC2)cc1	843057919	YJYJCGRCQOBMHT-UHFFFAOYSA-N	263.385	1.174	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2ocnc2C)c1	748038946	BVAXJZXNTYCCIW-UHFFFAOYSA-N	262.265	1.627	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)[C@H]1CCCS1	910951905	XWTZJHCKAUGFKU-LLVKDONJSA-N	253.323	1.610	10	20	CDCD	
O=C(O)CN(Cc1cccc(F)c1O)C1CCC1	848639294	GQRRYNAJFIGROP-UHFFFAOYSA-N	253.273	1.970	10	20	CDCD	
CCCNS(=O)(=O)NCc1cc(Cl)ccc1O	845996852	VIRAGEJFACWTMS-UHFFFAOYSA-N	278.761	1.380	10	20	CDCD	
CC1(C)OCC(NCc2cc3c(cc2O)OCO3)CO1	758009922	CNOYOPTXRSKBEC-UHFFFAOYSA-N	281.308	1.362	10	20	CDCD	
C[C@H]1[C@@H](CO)CCCN1C(=O)c1cc(O)cs1	854950410	JYLFPODBGJIQOE-DTWKUNHWSA-N	255.339	1.687	10	20	CDCD	
Cn1cnc2c(NCCc3ccc(O)c(O)c3)ncnc21	754489686	WALNMJMJTYAIQI-UHFFFAOYSA-N	285.307	1.429	10	20	CDCD	
COc1ccc(N2CCN(C(=O)C3CSC3)CC2)cc1	864471242	ZSQAUWTUMLLOOW-UHFFFAOYSA-N	292.404	1.707	10	20	CDCD	
O=C(NCc1ccccc1O)c1cnn(-c2cccnc2)c1	769362908	MLUGBYDKPMQOIM-UHFFFAOYSA-N	294.314	1.903	10	20	CDCD	
CC(C)C[C@H](C)NC(=O)C(=O)NCCc1ccc(N)cc1	1117973363	VEWWOTAYAWHIGE-LBPRGKRZSA-N	291.395	1.478	10	20	CDCD	
COc1cccc(O)c1CN1CC[C@H](C)C[C@@H]1C(N)=O	779203707	HRGPNBSFLUZCAL-CMPLNLGQSA-N	278.352	1.487	10	20	CDCD	
CN(C)c1ccc(Cn2cc(CCCCN)nn2)cc1	881272423	UNXKLQYACXEDGF-UHFFFAOYSA-N	273.384	1.674	10	20	CDCD	
C[C@H](N[C@@H](C)c1c(O)cccc1F)C(=O)NCCF	886606640	CMIWQQGQTYUWJP-IUCAKERBSA-N	272.295	1.656	10	20	CDCD	
C[C@@H](NCc1cnnn1C)c1c(O)cccc1F	886610771	JMANUBDZGROUEN-MRVPVSSYSA-N	250.277	1.511	10	20	CDCD	
C[C@@H]1CCN2[C@@H](C1)C(=O)N[C@@H]2c1cc(F)cc(F)c1O	887329359	FSFGLOBAGHMZOF-RESLBDFXSA-N	282.290	1.899	10	20	CDCD	
CN1CCN(c2ccc(CNC(=O)c3ccc[nH]3)cc2)CC1	881849963	XZWOZNYNFYGALD-UHFFFAOYSA-N	298.390	1.697	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2S(=O)(=O)C1CCC1	881955050	BCTFGTPTVOCDCC-UHFFFAOYSA-N	296.392	1.834	10	20	CDCD	
COc1cc(C)cc(CN2C[C@@H]3CN(C)C[C@@H]3C2)c1O	894582393	ZGANSTBLBHMDRN-OKILXGFUSA-N	276.380	1.703	10	20	CDCD	
COc1cc(C)cc(CN[C@@H]2CO[C@@H](C)C2)c1O	895083233	IMWIQDMJSFUDLC-JQWIXIFHSA-N	251.326	1.976	10	20	CDCD	
COC[C@@H](C)CC(=O)OCC(=O)c1ccc(O)c(O)c1	784098185	JHDRYUVMVMVLHH-VIFPVBQESA-N	282.292	1.496	10	20	CDCD	
COc1cc(C)cc(CN(C)C2(CO)CC2)c1O	895356793	CTRPEEDTOHFZQF-UHFFFAOYSA-N	251.326	1.666	10	20	CDCD	
COc1ccc(CNC(=O)c2cnc(C)nc2C)c(O)c1	794378242	QTARJTYUZBCSDS-UHFFFAOYSA-N	287.319	1.738	10	20	CDCD	
CC[C@@H](N[C@@H](C)CC(N)=O)c1ccc(F)cc1O	796798200	OZAJLJJFHDXLMW-GZMMTYOYSA-N	254.305	1.836	10	20	CDCD	
CN[C@@H](C)CCNC(=O)NCc1ccc(N(C)C)cc1C	1326132839	LTMCZZZBEDFXPH-ZDUSSCGKSA-N	292.427	1.858	10	20	CDCD	
C[C@@H](NCCC(=O)N(C)C)c1cc(F)ccc1O	94617642	LUFOZUDPHUURPK-SECBINFHSA-N	254.305	1.660	10	20	CDCD	
COC[C@H](C)CNC(=O)N(C)Cc1ccccc1O	172491467	DVIGETCNQUVTHA-LLVKDONJSA-N	266.341	1.816	10	20	CDCD	
CS[C@H](CO)[C@@H](C)NCc1ccc2c(c1)CCO2	219065485	AKXQTUPCAUHDLY-QMTHXVAHSA-N	267.394	1.824	10	20	CDCD	
CN(C)c1ccc(CNCC(C)(C)C(=O)O)cc1	756306699	MTKNACULTRSQCU-UHFFFAOYSA-N	250.342	1.953	10	20	CDCD	
CCN(Cc1ccc(N2CCCC2)cc1)[C@@H]1CCNC1=O	1327031281	KLWCCPMADGKWPV-MRXNPFEDSA-N	287.407	1.997	10	20	CDCD	
C[C@@H]1OCCN(C(=O)NCc2ccc(N)cc2)[C@H]1C	1337070423	QKFHSCRMHZZEDA-QWRGUYRKSA-N	263.341	1.588	10	20	CDCD	
C[C@]1(O)CCCN(C(=O)NCc2ccc(N)cc2)C1	1357790562	DCBNRKLZXVTSDI-AWEZNQCLSA-N	263.341	1.325	10	20	CDCD	
CN(C)c1ccnc(CNC(=O)NCc2ccc(N)cc2)c1	1353503284	TUCHSOIWWBQIHB-UHFFFAOYSA-N	299.378	1.729	10	20	CDCD	
O=C(CC[C@@H]1CCO1)NCc1cccc(O)c1O	1548791520	IYOZDMHQIFDCIB-SNVBAGLBSA-N	251.282	1.283	10	20	CDCD	
C[C@H](C(=O)O)N(Cc1cc(F)ccc1O)C1CC1	1609718452	RWLTZGDQNUOCBJ-MRVPVSSYSA-N	253.273	1.969	10	20	CDCD	
C[C@H](NCC1(O)CCC1)c1cccc(-c2nn[nH]n2)c1O	1589978157	LNLUQVXIUNGNQP-VIFPVBQESA-N	289.339	1.138	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H]1CC[C@@H]1C(=O)O	1596586794	KABODDNABASFRH-ZJUUUORDSA-N	298.335	1.605	10	20	CDCD	
CC(C)[C@@H](O)CN[C@H](C)c1cc(C(=O)O)ccc1O	1593245923	DXEUUICVUWUMAI-RNCFNFMXSA-N	267.325	1.758	10	20	CDCD	
CCN(CCC(=O)O)Cc1cc2c(cc1O)OC[C@@H]2O	1596314925	TWZZJHKZXPKJKC-LBPRGKRZSA-N	281.308	1.115	10	20	CDCD	
C[C@]12CCC(=O)N1[C@H](C(=O)Nc1ccc(N)cc1)CS2	237745635	XNEYNPVZBGWSTD-FZMZJTMJSA-N	291.376	1.661	10	20	CDCD	
O[C@@H]1COC[C@@H]1NCc1ccc(N2CCCCC2)cc1	323869551	SVXOKGRUYQLTCM-JKSUJKDBSA-N	276.380	1.526	10	20	CDCD	
COCCN(CC(=O)O)Cc1cc(F)cc(F)c1O	708215973	PADMMQJGLOCONY-UHFFFAOYSA-N	275.251	1.203	10	20	CDCD	
C[C@@H](C(=O)O)N(C(=O)Cc1ccc(N)cc1)C1CC1	383314923	IRVVPGSALSDVCS-VIFPVBQESA-N	262.309	1.275	10	20	CDCD	
Cc1ccc(O)c(CN[C@@H](CO)C[C@@H]2CCCO2)c1	886225832	CIDIRKCLKDEAGU-KGLIPLIRSA-N	265.353	1.720	10	20	CDCD	
COCCCC(=O)NCc1ccc(N(C)C)c(F)c1	58733910	PLXDIOQMTVYFFY-UHFFFAOYSA-N	268.332	1.935	10	20	CDCD	
COc1ccc(O)c(CN2CCC[C@H](CCC(N)=O)C2)c1	179905381	RSJBUIFATFNESD-GFCCVEGCSA-N	292.379	1.878	10	20	CDCD	
CCC[C@@]1(NC(=O)c2cccc(O)c2O)CCOC1	287869110	NHILRUPCHMKHLW-CQSZACIVSA-N	265.309	1.787	10	20	CDCD	
CC1(C)[C@@H](NC(=O)/C=C/c2ccc(O)c(O)c2)C[C@H]1O	190488681	GUUXHIBJHNZMDU-DRKGASSASA-N	277.320	1.387	10	20	CDCD	
Cc1ccc(O)c(CNC[C@]2(O)CCO[C@@H]2C)c1	227965280	JYZSUHVGTPFEIC-BXUZGUMPSA-N	251.326	1.330	10	20	CDCD	
CCc1ocnc1C(=O)NCc1cccc(OC)c1O	265783479	FOXIEQHGWJRMKK-UHFFFAOYSA-N	276.292	1.881	10	20	CDCD	
COc1cccc(CNc2cnccc2-n2ccnn2)c1O	367469330	JGWSKXPZEWFYPX-UHFFFAOYSA-N	297.318	1.989	10	20	CDCD	
CC[C@H](NC[C@H]1COCCN1)c1ccc(C)cc1O	530222523	FZOPDYZHXIIFOK-JSGCOSHPSA-N	264.369	1.730	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@H](C)CCCO)c1O	278505567	ORTYEVWJANVRCG-SECBINFHSA-N	284.312	1.560	10	20	CDCD	
CC(=O)N1CC[C@](C)(C(=O)Nc2ccc(N)cc2)C1	376693036	DPAJNAXRONFDSU-AWEZNQCLSA-N	261.325	1.466	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)N[C@H]2C[C@@H](O)C2)c1	296088704	XXWWHHCYQDGODP-IEBDPFPHSA-N	265.309	1.353	10	20	CDCD	
CC(=O)C(=O)COc1ccccc1Br	808012125	FIKQBNBRVNMYTI-UHFFFAOYSA-N	257.083	1.986	10	20	CDCD	
CCCN(CC(N)=O)Cc1ccc(N(C)CC)cc1	815120742	MUHJLYTXGFTZOO-UHFFFAOYSA-N	263.385	1.840	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@@]2(F)CCNC2)c1	828667030	LTWORGPLZSJPQC-YMTOWFKASA-N	282.315	1.280	10	20	CDCD	
CC(=O)NC(C)(C)C(=O)N[C@H](C)c1ccccc1O	827930395	JEEKWFKZULLDDH-SECBINFHSA-N	264.325	1.484	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@H](N)C1CCC1	829764567	OZMAYRQEICTSRR-OAHLLOKOSA-N	275.396	1.805	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)C1(N)CCC1	829764289	IQJTVPQAVAFSQI-UHFFFAOYSA-N	261.369	1.559	10	20	CDCD	
COc1cc(O)ccc1NS(=O)(=O)c1cnc(C)n1C	901703465	UQNZDRAVMDCMJH-UHFFFAOYSA-N	297.336	1.244	10	20	CDCD	
C[C@H](CNC(=O)c1cc(O)cs1)Cn1cccn1	731871520	HLMCGWIRMGIXEJ-SECBINFHSA-N	265.338	1.716	10	20	CDCD	
O=C(OCCn1ccccc1=O)c1cc(O)cs1	733495966	CADSPJBGPXSWKR-UHFFFAOYSA-N	265.290	1.472	10	20	CDCD	
O=C(NC1(CCO)CCOCC1)c1cc(O)cs1	831823899	LWZKGSHRWZGNQW-UHFFFAOYSA-N	271.338	1.115	10	20	CDCD	
CCn1cncc1/C=C1\SC(N2CCOCC2)=NC1=O	901444683	ZXNRCIRVSFPTEW-XFFZJAGNSA-N	292.364	1.206	10	20	CDCD	
CCCN1C[C@H](C(=O)N(C)Cc2ccccc2O)CC1=O	839542589	TYWJLFJTPDXLIY-CYBMUJFWSA-N	290.363	1.609	10	20	CDCD	
O=C(Cc1cc(C2CC2)no1)NCc1ccc(O)cc1O	910942399	CLTTVNKUMZQPIY-UHFFFAOYSA-N	288.303	1.822	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@H](C)CCN)c1O	841051746	QYBSYEGYRILLHK-MRVPVSSYSA-N	269.301	1.136	10	20	CDCD	
CCOc1ccc(CN(C)CCNC(C)=O)c(O)c1	843428477	ZDTRIQLZLXCRMT-UHFFFAOYSA-N	266.341	1.359	10	20	CDCD	
C[C@H](CNC(=O)C(=O)Nc1ccc(N)cc1)C1CC1	841021278	TUETYQWJDNOFQE-SECBINFHSA-N	261.325	1.370	10	20	CDCD	
CC[C@H](N)CNCc1cc(Cl)cc([N+](=O)[O-])c1O	841070136	MAFRMFXTCRUMBT-VIFPVBQESA-N	273.720	1.781	10	20	CDCD	
CCc1noc(COC(=O)c2cccc(O)c2O)n1	758559119	CDDCYPROYAQUNZ-UHFFFAOYSA-N	264.237	1.400	10	20	CDCD	
C[C@H](NCCN1CC[C@H](O)C1)c1ccccc1O	858599772	PWXHGOJUQSKOBQ-RYUDHWBXSA-N	250.342	1.109	10	20	CDCD	
COC[C@@H](CCO)N[C@H](C)c1cc(F)cc(F)c1O	756591930	HEURIXRPYASKRE-PSASIEDQSA-N	275.295	1.718	10	20	CDCD	
C[C@H]1C[C@@H](NC(=O)c2cc(O)cs2)CN1C1CC1	754025044	NSXFHHDXFVVJHM-DTWKUNHWSA-N	266.366	1.809	10	20	CDCD	
CCOC(=O)[C@@H]1C[C@H]1C(=O)NCc1cccc(OC)c1O	934941029	VKYVCBRVKLEOHK-GHMZBOCLSA-N	293.319	1.216	10	20	CDCD	
Cc1nnc([C@H](C)NC(=O)c2cc(O)cs2)o1	769213159	UPHKNQMILFFTNJ-YFKPBYRVSA-N	253.283	1.636	10	20	CDCD	
O=C1N[C@H](c2cc(Cl)ccc2O)N2CCSC[C@@H]12	765518258	KSWOTCYGGRHWBS-ONGXEEELSA-N	284.768	1.591	10	20	CDCD	
Cn1cnc2cc(C(=O)NCc3ccc(O)c(O)c3)ccc21	778927113	KFVJYSJWTRLCMB-UHFFFAOYSA-N	297.314	1.915	10	20	CDCD	
C[C@@H]1CCN2[C@H](C1)C(=O)N[C@H]2c1cccc(F)c1O	777901422	XIPIYTIGEFTEIT-XTWCZFFVSA-N	264.300	1.760	10	20	CDCD	
O=C(c1c(F)ccc(O)c1O)N1C[C@H](F)[C@H](F)C1	1117774497	UBLMDHVGZAWCQT-KNVOCYPGSA-N	261.199	1.369	10	20	CDCD	
COC[C@@H](CO)NCc1cc(F)c(N(C)C)cc1F	1118859292	HEMZTAUWJNGBEL-SNVBAGLBSA-N	274.311	1.128	10	20	CDCD	
Cc1nnc(CC(=O)N[C@H](C)c2ccc(N(C)C)cc2)o1	776406168	VPGFSWVEVCLFFG-SNVBAGLBSA-N	288.351	1.864	10	20	CDCD	
COc1cccc([C@H](C)NCCN2CCNC2=O)c1O	886744971	LBQLYCKERQMXDJ-JTQLQIEISA-N	279.340	1.077	10	20	CDCD	
COc1ccc(N(C)CC(OC)OC)cc1OC	781884262	KNONJYRKYUINBQ-UHFFFAOYSA-N	255.314	1.759	10	20	CDCD	
COc1ccc(CN2C[C@@H]3CNC[C@H]3C2)c(O)c1OC	892251617	JRIHNQTZZXFBEG-RYUDHWBXSA-N	278.352	1.061	10	20	CDCD	
CC[C@@H](CO)NCc1ccc(N2CCN(C)CC2)cc1	780584041	XIBODAPPRQYJOE-HNNXBMFYSA-N	277.412	1.299	10	20	CDCD	
Cn1nncc1C(=O)NCCCSc1nccs1	798963692	BUCUIEMXXLCKIK-UHFFFAOYSA-N	283.382	1.184	10	20	CDCD	
C[C@@H](NC(=O)c1cnnn1C)c1ccc(N(C)C)cc1	798502958	ZBTKWADKNYASAJ-SNVBAGLBSA-N	273.340	1.372	10	20	CDCD	
COc1ccc(CNC(=O)c2c(O)cccc2O)c(O)c1	796348697	WLYKKZNQZUYTDW-UHFFFAOYSA-N	289.287	1.742	10	20	CDCD	
C[C@H]1CCCN(C(=O)NCc2ccc(N)cc2)[C@@H]1CCN	1337019795	VLLWGNHPZNVLRM-SWLSCSKDSA-N	290.411	1.928	10	20	CDCD	
COc1cccc(O)c1CN(C)C[C@H]1CCOC1	769532227	IDSLJRCXGFFSOM-LLVKDONJSA-N	251.326	1.869	10	20	CDCD	
CCOc1cccc(CN[C@H]2COC[C@H]2C)c1O	699842008	XLDVHUQBNZLYCR-PWSUYJOCSA-N	251.326	1.915	10	20	CDCD	
COC[C@@H]1CN(Cc2cccc(OC)c2O)CCO1	93529110	YXMHNHNTWICQJS-LBPRGKRZSA-N	267.325	1.248	10	20	CDCD	
COC(=O)CCN1CC[C@H](Sc2nccs2)C1=O	1333275985	HTOLRZXHWZMNKB-QMMMGPOBSA-N	286.378	1.399	10	20	CDCD	
Cc1cc(O)c(CN[C@H]2CCC(=O)N(C)C2=O)cc1Cl	1330807711	GXBZGIXERZKUPU-NSHDSACASA-N	296.754	1.591	10	20	CDCD	
COC(=O)[C@@H]1CCC[C@H](C(=O)NCc2ccc(N)cc2)C1	1346209425	JESIVLJDPYCVES-QWHCGFSZSA-N	290.363	1.864	10	20	CDCD	
CCN1CCC[C@@H](CNC(=O)c2c(F)ccc(O)c2O)C1	1261256411	GGGHLRXNGNMQTJ-JTQLQIEISA-N	296.342	1.699	10	20	CDCD	
Nc1ccc(CNC(=O)NCCCNc2ccccn2)cc1	1262563000	RMQSTNWPLPGALP-UHFFFAOYSA-N	299.378	1.965	10	20	CDCD	
O=C(NCc1cccc(O)c1O)C1CCN(C2CC2)CC1	1347234925	SCNGSYQNVRKAQM-UHFFFAOYSA-N	290.363	1.588	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N[C@@H]2C[C@@H]3CC[C@H]2O3)cc1	1343510700	TYCYQBNQUBWXNE-RRFJBIMHSA-N	289.379	1.872	10	20	CDCD	
Cc1n[nH]c(C)c1CCC(=O)NCc1ccc(N)cc1	1515331461	FDVVTNYKTJYNPA-UHFFFAOYSA-N	272.352	1.858	10	20	CDCD	
Cc1ccc(O)c(CNc2nccc(C(=O)O)n2)c1	1607811260	FFCFLIFXVYQHJD-UHFFFAOYSA-N	259.265	1.801	10	20	CDCD	
Cn1nccc1[C@H](NCc1cc(F)ccc1O)C(=O)O	1605567357	DDEAKWJDIMVKDF-LBPRGKRZSA-N	279.271	1.180	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)Nc1nccnc1C(=O)O	1604231533	AWDNQNPPAOGSRR-MRVPVSSYSA-N	289.291	1.629	10	20	CDCD	
O=C(O)C[C@H]1CCCCN1C(=O)Cc1ccc(O)c(O)c1	1594984071	BHJBZVMTMSIZDZ-LLVKDONJSA-N	293.319	1.496	10	20	CDCD	
CC(=O)N1CCC[C@H](C(=O)NCCc2ccc(N)cc2)C1	152496766	BHIZESCENINAJJ-AWEZNQCLSA-N	289.379	1.186	10	20	CDCD	
CCCN(CC[S@](C)=O)Cc1ccccc1O	827938811	SZWICXARWFZZMK-KRWDZBQOSA-N	255.383	1.983	10	20	CDCD	
CN(Cc1ccc(N)cc1)Cc1nnc2n1CCC2	1120371113	QZSIWEUCHLUXIA-UHFFFAOYSA-N	257.341	1.439	10	20	CDCD	
CN(C[C@H]1CCCN1C)C(=O)c1cccc(O)c1O	126473718	UXJHHJKQOMIWHH-SNVBAGLBSA-N	264.325	1.264	10	20	CDCD	
O=C(CSc1nnnn1C1CC1)c1ccc(O)c(O)c1	35045013	XTLXSJRDKSKUCA-UHFFFAOYSA-N	292.320	1.394	10	20	CDCD	
COCCOCCN[C@H]1CCc2cccc(O)c21	295909289	JCXZHMVYJMVIJM-LBPRGKRZSA-N	251.326	1.632	10	20	CDCD	
CCCCN(C)S(=O)(=O)Nc1ccc(O)cc1	182411166	IMLNFJLYRUTUMU-UHFFFAOYSA-N	258.343	1.781	10	20	CDCD	
O=C(COCc1ccccc1)NCc1ccc(O)c(O)c1	178445076	GNASFZSVJNWXIG-UHFFFAOYSA-N	287.315	1.931	10	20	CDCD	
CC(=O)N(C)CC(=O)NCc1c(O)ccc2c1CCCC2	174516044	KSZFJPVDGQEOKY-UHFFFAOYSA-N	290.363	1.366	10	20	CDCD	
CCc1nc(CN(C)c2ccc3c(c2)OCO3)no1	121244567	HJVZKAREWXSLLA-UHFFFAOYSA-N	261.281	1.997	10	20	CDCD	
CCN(CCO)CCNCc1ccc(N(C)C)cc1	184545952	YOSLKRFJWRCJRD-UHFFFAOYSA-N	265.401	1.156	10	20	CDCD	
CC(=O)N1CC[C@](C)(C(=O)NCc2ccc(N)cc2)C1	1356226906	DEMXRTBKTJHZPM-HNNXBMFYSA-N	275.352	1.144	10	20	CDCD	
CNC(=O)CCN1CCN(c2ccc(OC)c(F)c2)CC1	84867059	NFFDEQLMMKFYJI-UHFFFAOYSA-N	295.358	1.092	10	20	CDCD	
CCNC(=O)N1CCN(Cc2cccc(Cl)c2O)CC1	179621119	YLOPNIKZYOMPIH-UHFFFAOYSA-N	297.786	1.893	10	20	CDCD	
CC(C)(N)C(=O)NCc1ccc(N2CCSCC2)cc1	236801118	VTPZXVFWUHGAGF-UHFFFAOYSA-N	293.436	1.593	10	20	CDCD	
C[C@]1(C(=O)NCc2ccc(O)c(O)c2)CCCOC1	272695852	HRNBBZPNCXSKJF-AWEZNQCLSA-N	265.309	1.531	10	20	CDCD	
COC(=O)[C@@H]1COCCN1Cc1cc(C)ccc1O	271177680	KPRPXRSQICGRFA-LBPRGKRZSA-N	265.309	1.074	10	20	CDCD	
C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1cccc(O)c1O	279305001	NUBJQVXTOIGKOL-JOYOIKCWSA-N	276.336	1.310	10	20	CDCD	
CNC(=O)[C@H](CCSC)N[C@H](C)c1ccccc1O	806664017	XNQAONSSCGUZFK-PWSUYJOCSA-N	282.409	1.911	10	20	CDCD	
CNC(=O)[C@H](C)NCc1ccc(N(C)C)c(F)c1	291671793	GRMDPJPAGGHUPQ-VIFPVBQESA-N	253.321	1.116	10	20	CDCD	
CC(=O)C(=O)COC(=O)c1cc(Cl)ccc1[N+](=O)[O-]	808487626	FEBZNWPCSPXAJY-UHFFFAOYSA-N	285.639	1.563	10	20	CDCD	
CNC(=O)NCCC(=O)N(C)Cc1ccc(N(C)C)cc1	292680346	INAADQMIJFANAQ-UHFFFAOYSA-N	292.383	1.030	10	20	CDCD	
COc1ccc(N2CC[C@@H](CNC(=O)C(C)(C)N)C2)cc1	819930273	CJJUBFHNMSJDBY-LBPRGKRZSA-N	291.395	1.375	10	20	CDCD	
c1cc(N2CCOCC2)ccc1CN(C1CC1)C1COC1	824472564	VDQYEJFJTSAOMR-UHFFFAOYSA-N	288.391	1.886	10	20	CDCD	
NC(=O)[C@@H]1CC[C@H](NCc2cc(Cl)c(F)cc2O)C1	825283967	BODMEDLXZBWSFV-APPZFPTMSA-N	286.734	1.928	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CC[C@H]1C(=O)O	901974692	AYKKEHMEYZEYSN-ZIAGYGMSSA-N	290.363	1.788	10	20	CDCD	
O=C(N[C@H](Cc1ccccc1)C(=O)O)c1cc(O)cs1	739371177	JYNHWYOWFXYENA-LLVKDONJSA-N	291.328	1.879	10	20	CDCD	
CNC(=O)[C@H]1CCCCN1C(=O)c1cc(O)cs1	732271001	MGFWGBFVXODIEX-SECBINFHSA-N	268.338	1.194	10	20	CDCD	
CC(C)CN1C[C@@H](C(=O)NCc2ccc(N)cc2)CC1=O	837303431	OGSAHLADNKXMET-ZDUSSCGKSA-N	289.379	1.390	10	20	CDCD	
CC[C@@H](SC)C(=O)N(CC(=O)O)Cc1ccccc1O	911487730	HEQVLRVWYBTZBK-GFCCVEGCSA-N	297.376	1.947	10	20	CDCD	
COCCCOCc1nc(Cc2ccc(N)cc2)no1	843159456	PUUFPSITTYLXCS-UHFFFAOYSA-N	277.324	1.796	10	20	CDCD	
CCOc1ccc(CN2CCNCC2(C)C)c(O)c1	843054269	IGOJLRAGCARJSB-UHFFFAOYSA-N	264.369	1.975	10	20	CDCD	
COc1ccc(N(C)Cc2ncnn2CCF)cc1	844355162	LWIKTUCNFPXROS-UHFFFAOYSA-N	264.304	1.893	10	20	CDCD	
CCS(=O)(=O)CCCNCc1ccc(N(C)C)cc1C	840974597	LISBYFHNSFUKBD-UHFFFAOYSA-N	298.452	1.975	10	20	CDCD	
CN(C)c1ccc([C@@H](N)CNS(=O)(=O)C2(C)CC2)cc1	842784509	HHLRZBFOIVETFS-ZDUSSCGKSA-N	297.424	1.224	10	20	CDCD	
COc1cccc([C@H](C)N[C@H](C)C(=O)NC(C)C)c1O	846172961	OEELWYGQZODDGT-WDEREUQCSA-N	280.368	1.965	10	20	CDCD	
Cn1ccnc1N1CCN(C(=O)c2cc(O)cs2)CC1	743467414	AAEAVNCPKABKHU-UHFFFAOYSA-N	292.364	1.150	10	20	CDCD	
CC(C)(C)N1CC[C@@H](NC(=O)Nc2ccc(N)cc2)C1=O	843043536	WQSXVMSEYIAILN-GFCCVEGCSA-N	290.367	1.790	10	20	CDCD	
CSC[C@@](C)(O)CNC(=O)c1cc(O)cs1	743716093	WPNZFZAHRSSFAM-JTQLQIEISA-N	261.368	1.298	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)[C@@H]1[C@H]2CNC[C@H]21	843412167	CAZJNLJRFHJWMP-NHAGDIPZSA-N	274.364	1.596	10	20	CDCD	
C[C@H](CC(N)=O)NCc1ccc(N(C)C)c(F)c1	749128314	LZDMRLCMNZLOJQ-SECBINFHSA-N	253.321	1.245	10	20	CDCD	
C[C@@H](NC(=O)N[C@H]1CCNC1)c1ccc(N(C)C)cc1	841882654	MCTZQJQNFOBNHF-YPMHNXCESA-N	276.384	1.475	10	20	CDCD	
O=C1C[C@H](NCc2ccc3c(c2)CCCO3)CN1C1CC1	921813505	FPOGUTXXZLKFTR-AWEZNQCLSA-N	286.375	1.865	10	20	CDCD	
C[C@@H](NC(=O)N(C)CC(=O)O)c1ccc(N(C)C)cc1	857100587	HGJNULNFXQZERN-SNVBAGLBSA-N	279.340	1.540	10	20	CDCD	
C[C@H](O)[C@H](O)CN(Cc1ccco1)Cc1ccccc1O	929969630	OZRNCOJOXIQBNR-BLLLJJGKSA-N	291.347	1.729	10	20	CDCD	
CC(C)NCC(=O)NCc1c(O)ccc2c1CCCC2	852811867	UUPMMSZAQWEFBQ-UHFFFAOYSA-N	276.380	1.885	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@H]2CCN(C)C2)c1	756536291	UNQQBOMTQVJNRO-JQWIXIFHSA-N	278.352	1.534	10	20	CDCD	
CCO[C@H](C(=O)NCc1ccc(O)c(O)c1)C1CC1	860243455	NSHPJPWJHYQTEF-ZDUSSCGKSA-N	265.309	1.529	10	20	CDCD	
CS[C@H](CO)[C@@H](C)NCc1ccc(C)cc1O	877048650	NRAZQAPSEHQUMZ-ZWNOBZJWSA-N	255.383	1.903	10	20	CDCD	
CN(Cc1cc2c(cc1O)CCCC2)[C@H]1CCNC1=O	768465993	UYPTVZUURMOABA-AWEZNQCLSA-N	274.364	1.591	10	20	CDCD	
CCCOc1ccc(CNCCS(C)(=O)=O)cc1C	873029165	WXTXBFVASKQRSZ-UHFFFAOYSA-N	285.409	1.918	10	20	CDCD	
Cc1cccc(O)c1CN1CCC[C@H](N2CCNC2=O)C1	876624984	NFNLYYULNQPSPL-ZDUSSCGKSA-N	289.379	1.690	10	20	CDCD	
CCC(C)(C)CNC(=O)C(=O)N(C)Cc1ccccc1O	1117381307	OCTGTTKBQXYMEX-UHFFFAOYSA-N	292.379	1.903	10	20	CDCD	
CC(C)NC(=O)[C@H](C)NCc1cc([N+](=O)[O-])ccc1O	777743469	BJLMAPLUJVGGFS-VIFPVBQESA-N	281.312	1.303	10	20	CDCD	
CCOc1ccc(CNC2(C(=O)NC)CCCC2)c(O)c1	779176865	SEPLMHHOLDQHTA-UHFFFAOYSA-N	292.379	1.939	10	20	CDCD	
CC[C@@H](NC[C@H](O)CN1CCCC1)c1ccccc1O	775413242	ZEUUXDXDQVOTSG-DZGCQCFKSA-N	278.396	1.890	10	20	CDCD	
COc1ccc(CNCCOCC(F)F)c(O)c1OC	1120040428	XRTGPLDOXABBQV-UHFFFAOYSA-N	291.294	1.781	10	20	CDCD	
CCCn1nccc1C(=O)NCc1cccc(O)c1O	1123889988	SSMGFAXLYMVRRZ-UHFFFAOYSA-N	275.308	1.634	10	20	CDCD	
COc1ccc(CN(C)C[C@@H](C)O)c(O)c1OC	893545830	NCXWGOKACGJWHE-SECBINFHSA-N	255.314	1.222	10	20	CDCD	
CC[C@@H](C(=O)OC)C(=O)OCC(=O)c1ccc(O)c(O)c1	784937286	KCUXRRZQNYHLPM-VIFPVBQESA-N	296.275	1.023	10	20	CDCD	
CC[C@@H](NC[C@H](O)CN(C)C)c1ccc(C)cc1O	794811681	XWCBFVLPBUYHAS-GXTWGEPZSA-N	266.385	1.664	10	20	CDCD	
C[C@H](NCc1cc2c(cc1O)OCO2)[C@H]1CCOC1	135204717	VKVIYUQZRFAUCM-UWVGGRQHSA-N	265.309	1.636	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2CCn1cncn1	271616836	DEHDVJOQSOHHLL-UHFFFAOYSA-N	273.340	1.243	10	20	CDCD	
Nc1ccc(CNC(=O)N2C[C@@H]3CCNC[C@@H]3C2)cc1	1336290801	SDFYBJULCMMYTC-QWHCGFSZSA-N	274.368	1.020	10	20	CDCD	
CN(CCN1CCCCC1)C(=O)NCc1ccc(N)cc1	1337069844	DEZGDNVUYXQDMU-UHFFFAOYSA-N	290.411	1.896	10	20	CDCD	
Nc1ccc(CNC(=O)N2CCn3cncc3C2)cc1	1337070261	LHEYSKPVGTVGEW-UHFFFAOYSA-N	271.324	1.191	10	20	CDCD	
CO[C@@H]1COC[C@H]1NCc1ccc2c(c1)CCCO2	922212627	QZLNZHYYJCXZGK-UKRRQHHQSA-N	263.337	1.515	10	20	CDCD	
C[C@@]1(CO)CCCN(C(=O)c2cc(O)cs2)C1	1334327736	MMROZWJNOVFOKO-GFCCVEGCSA-N	255.339	1.688	10	20	CDCD	
COCCOC1CCN(Cc2ccc(N)cc2)CC1	1336286983	VGJFOFDASYBFSF-UHFFFAOYSA-N	264.369	1.896	10	20	CDCD	
CNC[C@@H]1CCCN1C(=O)NCc1ccc(N)cc1	1346739996	WROSMNDOYUOTGR-ZDUSSCGKSA-N	262.357	1.162	10	20	CDCD	
COC(=O)[C@@H]1C[C@H](O)CN1Cc1cc(Cl)c(C)cc1O	1347396697	ZTGHCLMSCIUIDI-JQWIXIFHSA-N	299.754	1.462	10	20	CDCD	
Nc1ccc(CN2CCNC[C@@H]2c2ccncc2)cc1	1356083405	ONJBWOQGSGCCBX-MRXNPFEDSA-N	268.364	1.810	10	20	CDCD	
C[C@@H](N[C@H]1C[C@H](CO)C1)c1cc(C(=O)O)ccc1O	1604363585	JVTMNFZEJOKLAW-FXPVBKGRSA-N	265.309	1.512	10	20	CDCD	
C[C@@H](C(=O)O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	1588568162	ANEDNKXFGXKKNG-NXEZZACHSA-N	264.325	1.651	10	20	CDCD	
Oc1ccc(O)c(CNc2ncccc2-c2nn[nH]n2)c1	1593539800	FYFMTQQENUYYNJ-UHFFFAOYSA-N	284.279	1.285	10	20	CDCD	
COC1CC(NCc2ccc3c(c2)CCCO3)(C(=O)O)C1	1777164409	BUBZBCGMWSAEOX-UHFFFAOYSA-N	291.347	1.733	10	20	CDCD	
COc1cc(Cl)cc(CNCCC[S@](C)=O)c1O	169088923	QMUSXAZPVZMVJL-GOSISDBHSA-N	291.800	1.912	10	20	CDCD	
CCOC(=O)CN(C)c1cc(OC)c(OC)cc1[N+](=O)[O-]	157851525	VHAWNDDJDCEZLJ-UHFFFAOYSA-N	298.295	1.611	10	20	CDCD	
COc1ccc(O)c([C@H](C)NCCC(=O)N(C)C)c1	37751569	JZTVVNYNPUCEAD-JTQLQIEISA-N	266.341	1.530	10	20	CDCD	
C[C@H](NCC(C)(C)OCCO)c1cc(F)ccc1O	287173403	CFWOOCUGJMAQNY-JTQLQIEISA-N	271.332	1.969	10	20	CDCD	
CN(C)c1ccc(CNC(C)(C)CS(C)(=O)=O)cc1	391410547	ZNEQUJGFIWYBAD-UHFFFAOYSA-N	284.425	1.665	10	20	CDCD	
COc1ccc(O)c(CNC(=O)COCC(F)(F)F)c1	114543041	AVUYSLREKRJSDU-UHFFFAOYSA-N	293.241	1.596	10	20	CDCD	
COc1cc(CN2CCO[C@H](C)C2)c(O)cc1C	179435224	MTKVUAXAZATRSY-LLVKDONJSA-N	251.326	1.930	10	20	CDCD	
COc1cccc(CNC(=O)NC[C@H]2CCCOC2)c1O	174191173	RWSHHILFPHKPIK-LLVKDONJSA-N	294.351	1.627	10	20	CDCD	
Cc1nc(C(=O)NCc2ccc(N3CC=CC3)cc2)no1	123872423	IWTYHWDORPEILB-UHFFFAOYSA-N	284.319	1.684	10	20	CDCD	
Cc1ccc([C@H](C)NC[C@@H](C)N2CCN(C)CC2)c(O)c1	185365680	ZUXPYOCBWWVITQ-CABCVRRESA-N	291.439	1.987	10	20	CDCD	
COc1ccc(O)c(CN(C)[C@@H]2CCCCNC2=O)c1	367724031	NZXMWGBTGVZEIL-CYBMUJFWSA-N	278.352	1.501	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccncc1F	186375965	RNIKKLYTRPAMRW-SECBINFHSA-N	290.294	1.993	10	20	CDCD	
CC(C)C[C@H](O)CNC(=O)NCc1ccc(N(C)C)cc1	120071386	GCEVAOCGXKAPRX-HNNXBMFYSA-N	293.411	1.959	10	20	CDCD	
Cc1ccccc1NC(=O)C(=O)NCc1ccccc1O	72052175	POPIDIYVURGYTA-UHFFFAOYSA-N	284.315	1.956	10	20	CDCD	
CC(=O)OC(C)(C)C(=O)N(C)Cc1ccccc1O	187638570	JAMBLGHJJUVRTH-UHFFFAOYSA-N	265.309	1.692	10	20	CDCD	
Cc1ncccc1NC(=O)C(=O)N(C)Cc1ccccc1O	81160725	VYGAEUTUAKHFKX-UHFFFAOYSA-N	299.330	1.693	10	20	CDCD	
C[C@@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)C[C@H]1CO	190549821	GOTLGBSMRVHVKJ-OCCSQVGLSA-N	291.395	1.522	10	20	CDCD	
Cc1ccc(O)c(CN2CCS(=O)(=O)CC[C@H]2C)c1	192057813	LGSYIZQAPBEJEH-GFCCVEGCSA-N	283.393	1.710	10	20	CDCD	
CN(CC(N)=O)Cc1cc(Cl)cc(Cl)c1O	132595761	NTQNZPSBAVVPAU-UHFFFAOYSA-N	263.124	1.616	10	20	CDCD	
CN1CCCc2cc(CNC(=O)NCCCCO)ccc21	194350682	ZNRNZWXGIYPZFF-UHFFFAOYSA-N	291.395	1.641	10	20	CDCD	
Cc1cc(NS(=O)(=O)C[C@@H]2CCCO2)ccc1O	148642620	BNYTTWFOACOJEP-NSHDSACASA-N	271.338	1.621	10	20	CDCD	
C[C@@]1(CO)CN(Cc2cc(F)ccc2O)C[C@]1(C)CO	529668187	GCIVRXJPSREIFD-GASCZTMLSA-N	283.343	1.344	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN(C)C2CC2)c1O	278216858	KYPCSNOTKZNEMZ-UHFFFAOYSA-N	252.270	1.903	10	20	CDCD	
COC(=O)[C@@H](NC(=O)c1ccc(C)c(O)c1O)C1CC1	272744337	MTAOGEDAGRCCOW-JTQLQIEISA-N	279.292	1.088	10	20	CDCD	
CCN(CCOC)Cc1cc(OC)c(OC)cc1O	271074279	GBXALSQOLAZHCS-UHFFFAOYSA-N	269.341	1.878	10	20	CDCD	
C[C@H]1CC(=O)NCCN1Cc1ccc(N(C)C)c(F)c1	367671085	NZVOUMIJUGZHHA-NSHDSACASA-N	279.359	1.602	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@]1(F)CCNC1	370798107	IMIKEQRZKILTFI-ZDUSSCGKSA-N	252.289	1.052	10	20	CDCD	
COCCn1cc(CNCc2cc(C)ccc2O)cn1	281886042	DOHCMKOUCFDOKE-UHFFFAOYSA-N	275.352	1.833	10	20	CDCD	
Cc1ccc([C@@H](C)NCc2cnnn2C)c(O)c1C	287133945	AHJHJKJCKYIYLQ-LLVKDONJSA-N	260.341	1.988	10	20	CDCD	
O=C(NCCF)NCc1ccc(N2CCOCC2)c(F)c1	281784536	MRNHGJGBLWNMGU-UHFFFAOYSA-N	299.321	1.431	10	20	CDCD	
Cc1cc(O)c(CNC[C@@H]2CCCS(=O)(=O)C2)cc1C	290110089	LCGOKCDHOGDOQB-ZDUSSCGKSA-N	297.420	1.923	10	20	CDCD	
CCCCN(CCS(N)(=O)=O)Cc1ccccc1O	801595123	IRQMIMUNCHLEMC-UHFFFAOYSA-N	286.397	1.283	10	20	CDCD	
CN1CC[C@@H]1CNCc1cc(Br)ccc1O	712580798	PESBTRQBYDLTKX-LLVKDONJSA-N	285.185	1.948	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](C)NC2CC2)c1	828666753	IFMAQEXJKVZNAD-NXEZZACHSA-N	278.352	1.719	10	20	CDCD	
CCO[C@@H]1COC[C@H]1NCc1cccc(C)c1O	825196477	HEJXPDGVUYECDQ-CHWSQXEVSA-N	251.326	1.594	10	20	CDCD	
Cc1cc(O)c(CN2CCS(=O)CC2)cc1Cl	824720000	JUYVJFUZXIDHIA-UHFFFAOYSA-N	273.785	1.918	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2cnsn2)c1	728981839	FTKWZIFELSSORV-SSDOTTSWSA-N	279.321	1.743	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)c1ccc[nH]1	836196332	BASOTIGDHZXJNA-UHFFFAOYSA-N	285.347	1.888	10	20	CDCD	
CC(C)NC(=O)[C@H](C)N[C@@H](C)c1cc([N+](=O)[O-])ccc1O	840891364	RIVGXKYTKDFFMD-UWVGGRQHSA-N	295.339	1.864	10	20	CDCD	
C[C@@H](NC(=O)N[C@@H]1CCNC1)c1ccc(N(C)C)cc1	841882652	MCTZQJQNFOBNHF-DGCLKSJQSA-N	276.384	1.475	10	20	CDCD	
O=[N+]([O-])c1cc(Cl)cc(CN2CCNCC2)c1O	843045367	NYSPWFHTLFQOJY-UHFFFAOYSA-N	271.704	1.359	10	20	CDCD	
Nc1ccc(CC(=O)N2CC[C@]3(CCCN3)C2)cc1	842514269	VUDYCNBMNWPLKR-OAHLLOKOSA-N	259.353	1.166	10	20	CDCD	
C[C@H](NC(=O)N[C@@H](CN)C1CC1)c1ccc(N(C)C)cc1	841881940	FIJLXGSBIIMKFV-NHYWBVRUSA-N	290.411	1.850	10	20	CDCD	
C[C@H](N)[C@@H]1CN(Cc2ccc(N(C)C)c(F)c2)CCO1	843058262	QMMRJZHJKNIAMV-NHYWBVRUSA-N	281.375	1.440	10	20	CDCD	
CC[C@H](NC)C(=O)NCc1ccc(N(C)C)c(F)c1	852800005	VZNUGCTZCQEKMY-LBPRGKRZSA-N	267.348	1.506	10	20	CDCD	
CN(C)c1ccc(CNC(=O)/C=C\c2cn(C)cn2)cc1	929403824	JSRWQUBNQOMTCU-TWGQIWQCSA-N	284.363	1.816	10	20	CDCD	
CC[C@H]1CC[C@H](C(=O)NCc2cc(OC)ccc2O)O1	757383078	SWEMFRIZDNNOSJ-SMDDNHRTSA-N	279.336	1.975	10	20	CDCD	
CC[C@H](NC)C(=O)NCc1ccc(OC)cc1O	852824957	DJLXVNXSZITNCL-NSHDSACASA-N	252.314	1.015	10	20	CDCD	
CCOC(=O)C1=NN(c2ccc(F)cc2)C(=O)[C@@H]1C	871940596	LGQAOEZQGWSKFZ-MRVPVSSYSA-N	264.256	1.728	10	20	CDCD	
O=C(N[C@@H]1CCCCC12OCCO2)c1cc(O)cs1	764919038	LJDYCYLEIYYUBY-LLVKDONJSA-N	283.349	1.869	10	20	CDCD	
Cc1nn(C)c2c1N(C(=O)c1cc(O)cs1)CCO2	866519345	QPLSHJPHXLHXRO-UHFFFAOYSA-N	279.321	1.535	10	20	CDCD	
O=C(NCCS(=O)(=O)CC1CC1)c1cc(O)cs1	768288800	MEAOQDKDBJHQIG-UHFFFAOYSA-N	289.378	1.008	10	20	CDCD	
Cc1csc(=O)n1CCC(=O)N(C)c1ccc(N)cc1	877079935	BSERAWGBXWLPME-UHFFFAOYSA-N	291.376	1.854	10	20	CDCD	
CCOCCOC[C@H](O)CN[C@@H](C)c1ccccc1O	775130604	MQBKHMUXZRLLCG-QWHCGFSZSA-N	283.368	1.457	10	20	CDCD	
O=C(N[C@@H](CO)CC(F)(F)F)c1cc(O)cs1	778513190	YSEUSYRXOMPCCQ-RXMQYKEDSA-N	269.244	1.497	10	20	CDCD	
Cc1ccc(CN[C@@H](CO)c2cnn(C)c2)c(O)c1	877123983	QNBWKPALMJZEME-ZDUSSCGKSA-N	261.325	1.257	10	20	CDCD	
C[C@@H]1CCN(S(=O)(=O)NCc2ccc(N(C)C)cc2)C1	777956273	IURWEXXTMPGFLG-GFCCVEGCSA-N	297.424	1.429	10	20	CDCD	
C[C@H]1C[C@@H](O)CN1Cc1cc2c(cc1O)OCO2	788269001	JZQBNJSQLOMDLY-WCBMZHEXSA-N	251.282	1.076	10	20	CDCD	
COC(=O)[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)C(C)C	890633472	WOKQLCYDKUXXKW-VSKVDJIOSA-N	293.319	1.425	10	20	CDCD	
COc1ccc(CNC(=S)NC[C@H]2CCOC2)c(O)c1	795032627	VVVZOICLQZSOLL-SNVBAGLBSA-N	296.392	1.401	10	20	CDCD	
CCOc1ccc(CNCc2ncnn2CC)c(O)c1	793342973	HPZQXHFNRJZLOG-UHFFFAOYSA-N	276.340	1.692	10	20	CDCD	
COc1ccc(CNC(=O)NC2CCOCC2)c(O)c1	792830878	DDQZQKWRINRMGZ-UHFFFAOYSA-N	280.324	1.379	10	20	CDCD	
COc1ccc(CNC(=O)CN2[C@H](C)CC[C@H]2C)c(O)c1	794391072	UDGQBFWWLXPFDH-VXGBXAGGSA-N	292.379	1.890	10	20	CDCD	
C[C@@H](CNCc1c(O)cccc1Br)C(=O)O	1330273308	CKICZPIWBASOHA-ZETCQYMHSA-N	288.141	1.965	10	20	CDCD	
COC[C@@H](CO)NCc1ccc(Br)cc1O	691464456	RDCBAULTARHEOE-SNVBAGLBSA-N	290.157	1.252	10	20	CDCD	
CCOCC(=O)N1CCN(c2ccc(OCC)cc2)CC1	1253443061	RBSADJBSLDLSNK-UHFFFAOYSA-N	292.379	1.770	10	20	CDCD	
CCCCN(C)C(=O)C(=O)N(C)Cc1ccccc1O	1330893347	WLAOVXQZIPBQBS-UHFFFAOYSA-N	278.352	1.609	10	20	CDCD	
CCc1cc(C(=O)NCCc2ccc(N)cc2)n(C)n1	90125299	SVACTSVCIVMSNX-UHFFFAOYSA-N	272.352	1.537	10	20	CDCD	
CC[C@@H](NCc1nnnn1C1CC1)c1ccccc1O	775414936	LZNRNUFFIAOWSA-GFCCVEGCSA-N	273.340	1.955	10	20	CDCD	
COc1ccc(O)c(CN2C[C@H](C)N(C)C[C@@H]2C)c1	775984961	IRJOZIJPJKFARO-RYUDHWBXSA-N	264.369	1.925	10	20	CDCD	
COc1cccc(O)c1CNCc1cc(C)nn1C	790600371	AQAGPGCGUYASTR-UHFFFAOYSA-N	261.325	1.733	10	20	CDCD	
CCN1CCC[C@H](NC(=O)NCc2ccc(N)cc2)C1=O	1335630152	QPUXLERLJNDQEC-ZDUSSCGKSA-N	290.367	1.079	10	20	CDCD	
CC(C)N1C[C@@H](NC(=O)NCc2ccc(N)cc2)CC1=O	1353352891	ZIAVHLMAAQDKEY-ZDUSSCGKSA-N	290.367	1.077	10	20	CDCD	
CC[C@@H](COC)N[C@@H](C)c1cccc(-c2nn[nH]n2)c1O	1604039107	GFKQKSHILMREAU-UWVGGRQHSA-N	291.355	1.648	10	20	CDCD	
O=C(O)[C@@H]1C[C@H](O)CN1Cc1c(O)ccc(Cl)c1F	1601771548	FZHIUCYHXRURIX-RCOVLWMOSA-N	289.690	1.205	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@@H](C(=O)O)C(C)C)c1	1605297110	VJMLMHURMHMSCP-LBPRGKRZSA-N	265.309	1.674	10	20	CDCD	
COC[C@@]1(C(=O)O)CCCN1Cc1cccc(OC)c1O	1606833750	TYMFHUKUACLKPR-OAHLLOKOSA-N	295.335	1.466	10	20	CDCD	
COc1cc(N2CC(C)(O)C2)c([N+](=O)[O-])cc1OC	214148004	QFJJLLIRIYFJMM-UHFFFAOYSA-N	268.269	1.183	10	20	CDCD	
COc1ccc(CNC/C=C/CN)cc1Cn1cccn1	1579216433	UMYWZBQXFBQDGD-NSCUHMNNSA-N	286.379	1.545	10	20	CDCD	
CC[C@@H](CNCc1cc(F)c(F)cc1O)C(=O)O	1589552679	SIDLNEHTIPYZPC-ZETCQYMHSA-N	259.252	1.871	10	20	CDCD	
C[C@H](N[C@H](C)c1cccc(-c2nn[nH]n2)c1O)C(C)(C)O	1589974059	ONEKHXUHPXSNHV-BDAKNGLRSA-N	291.355	1.382	10	20	CDCD	
CN(C)c1ccc(/C=C\CN[C@H]2CCO[C@H]2C(=O)O)cc1	1598314157	DTRCRKRTXGQQEG-VUBDOFJKSA-N	290.363	1.598	10	20	CDCD	
COc1ccc(CN[C@@H](C(=O)O)c2ccn(C)n2)cc1C	1599571840	YEBFQSUMHFPEAE-CQSZACIVSA-N	289.335	1.653	10	20	CDCD	
COc1cc(C)c(CN2CC[C@H](C(=O)O)C2)c(O)c1	1594054295	UYRYGAHYSZRIFJ-JTQLQIEISA-N	265.309	1.616	10	20	CDCD	
CO[C@@H](C)CCN[C@@H](C)c1cccc(-c2nn[nH]n2)c1O	1591322422	QNUGKYYCWOSAJH-UWVGGRQHSA-N	291.355	1.648	10	20	CDCD	
CCN1C(=O)/C(=C\c2cc(C(=O)O)n(C)c2)SC1=S	1596388461	TYBHWMNPGUKIBZ-WEVVVXLNSA-N	296.373	1.944	10	20	CDCD	
COC[C@H](CNCc1cc(Cl)cc(OC)c1O)OC	230935753	ROLOOMYBRWWKCK-NSHDSACASA-N	289.759	1.805	10	20	CDCD	
Nc1ccc(NC(=O)NCCN2CCSCC2)cc1	230940638	RNSVVQWOXIMNKF-UHFFFAOYSA-N	280.397	1.439	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCC(F)(F)CC1	404826477	VNVJRXWQOYDZSS-UHFFFAOYSA-N	257.236	1.969	10	20	CDCD	
Nc1ccc(NC(=O)NC[C@@H]2CCCC[C@H]2O)cc1	841297296	DQRILJMQFFUPED-GXFFZTMASA-N	263.341	1.941	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCC[C@@H]1C1OCCO1	888439884	ULWVLQAXZDPJMW-SNVBAGLBSA-N	279.292	1.075	10	20	CDCD	
CCN1CCCC[C@@H]1C(=O)NCc1cccc(OC)c1O	105650381	QXACAXNZODDWPU-CYBMUJFWSA-N	292.379	1.891	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)NC[C@@H]1CCCOC1	57151896	JTKBCGYFMAQOAR-LBPRGKRZSA-N	278.352	1.960	10	20	CDCD	
CNC(=O)C1(C(=O)N(C)Cc2ccc(N(C)C)cc2)CC1	68510924	NUPKELFCHFIMNQ-UHFFFAOYSA-N	289.379	1.237	10	20	CDCD	
CC[C@H](CSC)NC(=O)c1cccc(O)c1O	126555532	HTGXMYJMVJOZFN-MRVPVSSYSA-N	255.339	1.969	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2C[C@H](CO)OC[C@H]2C)c1O	129270600	ZIQSRVGNASVLMZ-NOZJJQNGSA-N	297.326	1.316	10	20	CDCD	
Cc1cc(C(=O)Nn2cnnc2)c(C)n1-c1ccccn1	180726729	QOMATTGQCWHTAL-UHFFFAOYSA-N	282.307	1.465	10	20	CDCD	
C[C@H](NCCC(=O)N(C)C)c1ccc(F)c(F)c1O	187684911	UQOPPLWTXHBPMX-QMMMGPOBSA-N	272.295	1.799	10	20	CDCD	
C[C@H](CCN(C)C)NC(=O)c1cccc(O)c1O	126320473	WZMTVNUKLQGCET-SECBINFHSA-N	252.314	1.168	10	20	CDCD	
CC(C)[C@H](CCO)NC(=O)NCc1ccc(N(C)C)cc1	75502850	VNAJYFYCSCJZOQ-HNNXBMFYSA-N	293.411	1.959	10	20	CDCD	
C[C@@H](CS(C)(=O)=O)NCc1cc(Cl)ccc1O	78639422	RLPNUABKWKGPPY-QMMMGPOBSA-N	277.773	1.568	10	20	CDCD	
CCN1CCCN(Cc2cc(OC)ccc2O)CC1=O	191546609	UEPRAHHZMITBPM-UHFFFAOYSA-N	278.352	1.455	10	20	CDCD	
CCN1C(=O)C(=CNCC(C)C)C(=O)N(CC)C1=S	48402991	GMPSLIVENLAVQB-UHFFFAOYSA-N	283.397	1.111	10	20	CDCD	
Nc1ccc(NC(=O)C[C@H]2CSCCN2)cc1	237857235	GYMGSAKDFCXCLX-NSHDSACASA-N	251.355	1.302	10	20	CDCD	
CNC(=O)CN(Cc1ccco1)Cc1ccccc1O	96970828	LZQLJFDJUHQEBL-UHFFFAOYSA-N	274.320	1.733	10	20	CDCD	
COc1cccc(CN2CCO[C@@]3(CCO[C@@H]3C)C2)c1O	279665127	MLENHROYFCDVBM-WBMJQRKESA-N	293.363	1.781	10	20	CDCD	
CC(C)[C@@](C)(O)C(=O)N1CCOc2cc(N(C)C)ccc21	563186236	WHTJDZFGWQOCJH-MRXNPFEDSA-N	292.379	1.885	10	20	CDCD	
O=C(CCc1cncs1)NCc1ccc(O)c(O)c1	815836001	MRTYIWVPPYIXKK-UHFFFAOYSA-N	278.333	1.803	10	20	CDCD	
COc1ccc(CNC(=O)c2cc(F)c[nH]2)c(O)c1	816551196	SGOQZADPSGGSPZ-UHFFFAOYSA-N	264.256	1.798	10	20	CDCD	
Cc1nnc(CCC(=O)NCc2cc(Cl)ccc2O)o1	824213774	SJAFQZJNCSNXRM-UHFFFAOYSA-N	295.726	1.986	10	20	CDCD	
CCN(C)C(=O)COC(=O)c1ccc(C)c(O)c1O	727004496	MIINEMVHCFGTCZ-UHFFFAOYSA-N	267.281	1.041	10	20	CDCD	
Cc1nc(O)c2c(n1)CN(C(=O)c1cc(O)cs1)C2	825040387	IGLMDXSFWWBNCH-UHFFFAOYSA-N	277.305	1.414	10	20	CDCD	
C[C@@H](C(=O)N[C@H](C)c1ccccc1O)[C@H](C)S(C)(=O)=O	827946730	QPZJDSVMVCFXLX-MXWKQRLJSA-N	299.392	1.639	10	20	CDCD	
CCn1cnc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1	831924332	FZKYZYBILVVMDX-JTQLQIEISA-N	289.335	1.675	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)c1cnc2n1CCC2	830141196	OJFBGDMBPZSXRB-UHFFFAOYSA-N	271.320	1.807	10	20	CDCD	
CN(C)C(=O)COC1CN(Cc2c(O)cccc2Cl)C1	839138505	QICVRLISPQNHOG-UHFFFAOYSA-N	298.770	1.335	10	20	CDCD	
CN(CC(=O)NCc1ccc(O)cc1O)CC(C)(C)C	910943297	MHVYYYQKXYJJTN-UHFFFAOYSA-N	280.368	1.692	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)N[C@@H]2CCC[C@H]2O)c1	834915527	RCMJUSBJACZJEE-GAJTVXKRSA-N	279.336	1.743	10	20	CDCD	
CCn1ncc(C(=O)NCc2ccc(O)cc2O)c1C	910954981	CDGQSNVSXNRELM-UHFFFAOYSA-N	275.308	1.553	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)CNC(=O)c1ccncc1	917311232	WIZIXAWPQOHNNH-UHFFFAOYSA-N	299.330	1.176	10	20	CDCD	
CN[C@H]1CCN(Cc2ccc(N3CCOCC3)c(F)c2)C1	843045457	RUGDLZCCYLNGKY-AWEZNQCLSA-N	293.386	1.456	10	20	CDCD	
OC[C@@H]1CN(Cc2c(O)cccc2Cl)CC[C@@H]1O	840975341	NIHIBYALHUKRDC-CABZTGNLSA-N	271.744	1.221	10	20	CDCD	
CCOc1ccc(CN2CCCO[C@@H](CN)C2)c(O)c1	841100200	GLCRXSABLXJKEM-AWEZNQCLSA-N	280.368	1.341	10	20	CDCD	
CCOc1ccc(CN[C@H](CO)[C@H]2CCCOC2)c(O)c1	840962709	MYNILTUHVCGEPW-DZGCQCFKSA-N	295.379	1.668	10	20	CDCD	
CC(=O)N1CC[C@@](C)(C(=O)NCc2ccccc2O)C1	746885350	XHMZDYMYEPLMIR-OAHLLOKOSA-N	276.336	1.267	10	20	CDCD	
CCc1cccc(CNCC2(C(=O)OC)CC2)c1O	848904003	IFLBMALIDUMOEF-UHFFFAOYSA-N	263.337	1.997	10	20	CDCD	
Cc1cc(Br)c(O)c(CN2CC[C@H](N)C2)c1	843047692	ZZSZCXNWKQSZBL-JTQLQIEISA-N	285.185	1.996	10	20	CDCD	
CC(C)CN(C)Cc1cc(O)n2ncc(C(=O)O)c2n1	846244407	VQOOOORKXZKQDH-UHFFFAOYSA-N	278.312	1.221	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NC[C@H](C)N(C)C2CC2)c1	858283939	VHVCNCUBVSRSIJ-LBPRGKRZSA-N	291.395	1.983	10	20	CDCD	
C[C@@H](CN[C@H]1CCc2cccc(O)c21)S(C)(=O)=O	697567085	HJOIJCCCDUEDBA-ONGXEEELSA-N	269.366	1.402	10	20	CDCD	
Cc1ccc(CN[C@H](C)CN2CCOCC2)c(O)c1	876932525	OJHPUUWEARFGDD-CYBMUJFWSA-N	264.369	1.511	10	20	CDCD	
CCn1ccnc1C(=O)NCc1cc(C)ccc1O	862756162	ROADBGXKWWOHOD-UHFFFAOYSA-N	259.309	1.847	10	20	CDCD	
C[C@H](N[C@H](C)c1ccccc1O)C(=O)NC(=O)NC1CC1	879648995	IRFHFZVBQAMANY-ZJUUUORDSA-N	291.351	1.420	10	20	CDCD	
Cc1cccc(O)c1CNC[C@](C)(O)C(=O)OC(C)(C)C	877370076	QDCBAZHOOUXEPQ-INIZCTEOSA-N	295.379	1.883	10	20	CDCD	
COC(=O)N1CC(NCc2ccc(C)cc2O)C1	877097364	CDHMGRJDFIDVMY-UHFFFAOYSA-N	250.298	1.241	10	20	CDCD	
CSCCn1cc(COc2ccc(N)cc2)nn1	881287737	RVHMWQXRAFJOLS-UHFFFAOYSA-N	264.354	1.802	10	20	CDCD	
COCC1(S(=O)(=O)Nc2ccc(O)c(Cl)c2)CC1	882712620	FOQWKHSIBUFDKJ-UHFFFAOYSA-N	291.756	1.966	10	20	CDCD	
OCCC1(NCc2cc(F)cc(F)c2O)CCOCC1	883045937	SFSAMYSAKBULEX-UHFFFAOYSA-N	287.306	1.692	10	20	CDCD	
C[C@H]1CN(C)C(=O)CN1Cc1cc(Cl)cc(F)c1O	783732415	DQOGSHMPHYCQSY-QMMMGPOBSA-N	286.734	1.847	10	20	CDCD	
C[C@H](NC(=O)N1C[C@@H](O)C[C@@H]1C)c1ccc(N(C)C)cc1	788320471	QMJXQWJLWOXTPC-HUBLWGQQSA-N	291.395	1.978	10	20	CDCD	
CCOc1ccc(CNC2(C)CN(C(=O)OC)C2)c(O)c1	894543385	WQXQGZXHWNWPKI-UHFFFAOYSA-N	294.351	1.721	10	20	CDCD	
CN(C)c1ccc(CN(C(=O)c2cnn(C)n2)C2CC2)cc1	785807269	JCYQAIDFCRVROY-UHFFFAOYSA-N	299.378	1.686	10	20	CDCD	
COc1cc(C)cc(CNC[C@H]2CCOC[C@@H]2OC)c1O	894887560	FQWBFQQFBDPFJN-DOMZBBRYSA-N	295.379	1.850	10	20	CDCD	
COc1ccc(CNC(=O)NCc2ccco2)c(O)c1	792764994	WBFWJDXYPHYXRA-UHFFFAOYSA-N	276.292	1.993	10	20	CDCD	
CCCCN(CCO)C(=O)Nc1ccc(N)cc1	42495998	RZKRXIRMMVUUNP-UHFFFAOYSA-N	251.330	1.895	10	20	CDCD	
Oc1cc2c(cc1CNC[C@H]1CCCO1)OCO2	42879349	QBLXLPQUIUZZRK-SNVBAGLBSA-N	251.282	1.390	10	20	CDCD	
Cc1ccnc(O)c1C(=O)NCc1ccccc1O	1190980346	WSDGMVAYYILTFG-UHFFFAOYSA-N	258.277	1.731	10	20	CDCD	
CO[C@@H]1COCC[C@@H]1CNC(=O)NCc1ccc(N)cc1	1346648288	MGHSHSCWIMCPJD-TZMCWYRMSA-N	293.367	1.120	10	20	CDCD	
Cc1cccc(CN[C@@H](C(=O)O)c2ccn(C)n2)c1O	1600532674	ZBCNQQLDEDPTDE-GFCCVEGCSA-N	275.308	1.350	10	20	CDCD	
Cc1nc(-c2nn[nH]n2)cc(N2Cc3cccc(O)c3C2)n1	1606021700	YVLKMEAIOPARJG-UHFFFAOYSA-N	295.306	1.191	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)C2(C(=O)O)CC=CC2)c1	1605296539	KANHBKXWXOGZIY-UHFFFAOYSA-N	275.304	1.738	10	20	CDCD	
CCN(CCC(=O)O)C(=O)c1c(F)ccc(O)c1O	1610001060	IKBXPJMPIAYZFM-UHFFFAOYSA-N	271.244	1.174	10	20	CDCD	
CC1(C)CNC[C@@H]1NC(=O)/C=C\c1ccc(O)c(O)c1	1576472282	GOIPGWQCJBDZBA-AGLBCWCQSA-N	276.336	1.225	10	20	CDCD	
C[C@H]1C[C@H](C(=O)O)CN(C(=O)c2c(F)ccc(O)c2O)C1	1589272986	SGJHCLAMWWUGNN-YUMQZZPRSA-N	297.282	1.420	10	20	CDCD	
C[C@H](Sc1ncc(C(=O)O)s1)c1nnnn1C	1593678761	ZJKCMRFORKTXFD-BYPYZUCNSA-N	271.327	1.218	10	20	CDCD	
CCCN(C(=O)c1ccc(C)c(O)c1O)[C@@H](C)C(=O)O	1595828007	XPMMITYIYHJUPQ-VIFPVBQESA-N	281.308	1.732	10	20	CDCD	
COC(=O)c1ccc(/C=C\c2cnc(C(=O)O)cn2)n1C	1777124827	AOKPDDGLJOQWGI-ARJAWSKDSA-N	287.275	1.470	10	20	CDCD	
CN(C)c1ccc(CN2CC[C@@](CF)(C(=O)O)C2)cc1	1777039433	LVZSOFRXEVPLCJ-HNNXBMFYSA-N	280.343	1.999	10	20	CDCD	
O=C(CCn1ccnc1)NCCc1ccc(O)c(O)c1	917355641	YSUUQEIZRAKQEX-UHFFFAOYSA-N	275.308	1.043	10	20	CDCD	
COc1ccc(CNC[C@@H](OC)[C@H]2CCOC2)c(O)c1	850342924	OSQVEKZSECHEAP-SWLSCSKDSA-N	281.352	1.542	10	20	CDCD	
CN1CCC2(CCN(Cc3ccc(N)cc3)CC2)C1=O	1120371133	RULOIWZXNLDZHE-UHFFFAOYSA-N	273.380	1.713	10	20	CDCD	
O=S1(=O)CC[C@H](NCc2ccc(N3CCCC3)cc2)C1	37187863	NYFWQRIZAHLLIL-AWEZNQCLSA-N	294.420	1.564	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@]1(C)CCCNC1	62857679	MORKBIAEODMVOI-OAHLLOKOSA-N	262.353	1.740	10	20	CDCD	
O=C(NC[C@H](O)c1ccsc1)c1cccc(O)c1O	187116176	MNAWAIJPYLWEBC-NSHDSACASA-N	279.317	1.623	10	20	CDCD	
C[C@@H]1[C@H](NCc2cc(Cl)ccc2O)CCS1(=O)=O	311178958	WMIFDLXVJYFZSF-LDYMZIIASA-N	289.784	1.711	10	20	CDCD	
C[C@H]1C[C@@H](NCc2cc3c(cc2O)OCO3)CCN1C	90720547	LLOXYNQZLBDAQZ-JQWIXIFHSA-N	278.352	1.693	10	20	CDCD	
COc1ccc(CN[C@H]2COC[C@H]2OC)cc1C	839193038	NEFKPJFHJHWPSA-GXTWGEPZSA-N	251.326	1.507	10	20	CDCD	
CCCN(Cc1ccccc1O)C[C@@H]1CCC(=O)N1	844300278	IQRUSIGNHYPUMT-ZDUSSCGKSA-N	262.353	1.883	10	20	CDCD	
C[C@@H](NCc1ccccc1O)C(=O)NC(C)(C)C	134230497	INQNTVIBFMCWHM-SNVBAGLBSA-N	250.342	1.785	10	20	CDCD	
O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H]1CCOC1	179113197	CCUSEDCXPASORO-CQSZACIVSA-N	289.379	1.875	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC[C@@H]2CN(C)CCN2C)c1	68800737	VMARKXLLIVRCGL-CHWSQXEVSA-N	293.411	1.297	10	20	CDCD	
CCC1(CO)CCN(C(=O)c2cccc(O)c2O)CC1	185900912	DXVKLKZVJGYUAK-UHFFFAOYSA-N	279.336	1.723	10	20	CDCD	
CCOCCNC(=O)CN(C)c1ccc2c(c1)OCO2	121295717	HTBJLJJTGPELDL-UHFFFAOYSA-N	280.324	1.004	10	20	CDCD	
COc1ccc(O)c([C@@H](C)N[C@@H]2C=C[C@H](CO)C2)c1	185830117	XEPNJVKASFDIDU-GRYCIOLGSA-N	263.337	1.988	10	20	CDCD	
CCOCCONC(=O)N(C)Cc1ccc(N(C)C)cc1	185759094	HWQBMZARATYTEK-UHFFFAOYSA-N	295.383	1.862	10	20	CDCD	
Cc1ccc(O)c(CNCC(C)(C)N2CCN(C)CC2)c1	71406810	OFCWIGIKEVIQTN-UHFFFAOYSA-N	291.439	1.816	10	20	CDCD	
CC[C@@H](C)OCC(=O)NCc1ccc(O)c(O)c1	182510390	OXBQYNTZSSJZJQ-SECBINFHSA-N	253.298	1.529	10	20	CDCD	
COc1ccc(O)c(CNC(=O)Nc2ccnn2C)c1	125799053	YWJYGOJCTIUSRW-UHFFFAOYSA-N	276.296	1.456	10	20	CDCD	
COc1ccc(O)c(CN2CC[C@@H](C(=O)O)C2)c1	86790343	BBXXOUKOUKQCFK-SECBINFHSA-N	251.282	1.307	10	20	CDCD	
O=C(NCc1ccccc1O)c1cnn2c1CCC2	295295541	QPQRRQSRNQBCEI-UHFFFAOYSA-N	257.293	1.465	10	20	CDCD	
Cc1cc(O)c(CNC[C@@]2(O)CCO[C@@H]2C)cc1C	278566664	DCMAWTIOJARLPY-DOMZBBRYSA-N	265.353	1.639	10	20	CDCD	
Cc1ccc([C@@H](C)N[C@H]2CC(=O)N(C)C2)c(O)c1C	273578089	MDVGDMLHNYJAIR-NEPJUHHUSA-N	262.353	1.890	10	20	CDCD	
C[C@@H](O)CC(C)(C)CNC(=O)c1c(F)ccc(O)c1O	276627407	SAICPZUFKAYWPN-MRVPVSSYSA-N	285.315	1.764	10	20	CDCD	
Cc1ccc(O)c(CN2CCN(C(C)C)C(=O)C2)c1	272515368	JYTXXCOFVXJQIN-UHFFFAOYSA-N	262.353	1.753	10	20	CDCD	
O=C1CN(Cc2cc(F)ccc2O)CN1CC1CC1	279496443	VLDUMYOBDWCHGT-UHFFFAOYSA-N	264.300	1.543	10	20	CDCD	
COc1cc(O)c(CNCC2(N(C)C)CCC2)cc1OC	275806353	DAKGYCFLZXQDNO-UHFFFAOYSA-N	294.395	1.983	10	20	CDCD	
CN(C)c1ccc(CN2CCN3C(=O)NC[C@@H]3C2)cc1F	271307654	WAHGQFOQHAAFMT-GFCCVEGCSA-N	292.358	1.101	10	20	CDCD	
COc1ccc(O)c(CN2C[C@H](O)C(C)(C)C2)c1	280445570	KUVWJUQKLGBIJX-ZDUSSCGKSA-N	251.326	1.604	10	20	CDCD	
COCCOC(=O)CSc1ncc([N+](=O)[O-])s1	281944844	PPHCJDKCBORKAB-UHFFFAOYSA-N	278.311	1.333	10	20	CDCD	
Cc1ccc([C@H](C)NC[C@H](CO)[C@H]2CCOC2)c(O)c1	280875750	NZQJQXFOUNTIOY-MELADBBJSA-N	279.380	1.996	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N[C@H]1CC[C@@H](CO)C1	295810793	BOHPFWGVMZPECU-ZBWCZXCSSA-N	277.320	1.388	10	20	CDCD	
Cc1cc(CN[C@@]2(C)CCOC2=O)ccc1N(C)C	815119480	ZLPJFDOXSTXLFR-HNNXBMFYSA-N	262.353	1.856	10	20	CDCD	
CCOCC[C@@H](O)CNCc1ccc(N(C)C)cc1	818942330	YZXSFKVCOAWYJI-OAHLLOKOSA-N	266.385	1.630	10	20	CDCD	
O=C(O)CCNCc1cc(Br)cc(F)c1O	715762937	LSBOGQOGUFEMGX-UHFFFAOYSA-N	292.104	1.858	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2ncc(C)o2)c1	813811474	ADALBNVFWNCSKL-UHFFFAOYSA-N	262.265	1.627	10	20	CDCD	
CCCN[C@H](C)C(=O)N[C@H](C)c1cc(OC)ccc1O	828666242	CHRRNDUBLKDVFQ-GHMZBOCLSA-N	280.368	1.966	10	20	CDCD	
CCOC(=O)CN(Cc1ccccc1O)C[C@H](C)OC	823576344	NGDNPRMIFHGCIP-LBPRGKRZSA-N	281.352	1.792	10	20	CDCD	
CC1(C)OC[C@@H](CNC(=O)c2c(F)ccc(O)c2O)O1	826909295	MLJSNKBEXDOFTM-SSDOTTSWSA-N	285.271	1.118	10	20	CDCD	
COC[C@@]1(CO)CCN(Cc2ccc(N(C)C)cc2)C1	825158781	ZZLSAABQLOWELL-INIZCTEOSA-N	278.396	1.583	10	20	CDCD	
COc1cccc(CNc2ccc(-c3nn[nH]n3)nc2)c1O	826215975	FLNXLKYJUMVKRD-UHFFFAOYSA-N	298.306	1.588	10	20	CDCD	
C[C@H]1CN(CCN[C@H]2CCc3cccc(O)c32)CCO1	834567218	ZTCFWUZVSKIQEC-JSGCOSHPSA-N	276.380	1.690	10	20	CDCD	
COCC1(O)CN(Cc2c(O)ccc(Cl)c2F)C1	839144327	WISOZUBGUZIXRT-UHFFFAOYSA-N	275.707	1.378	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CN(C)C1CCC1	907275019	VCBBXKLWWDBTSE-LLVKDONJSA-N	292.379	1.629	10	20	CDCD	
Cc1nc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)n(C)n1	836207918	KWDACPRDHVHZIO-JTQLQIEISA-N	287.367	1.681	10	20	CDCD	
C[C@@H](NC(=O)N1CC[C@@H](O)[C@H]1C)c1ccc(N(C)C)cc1	838559422	MFFZKHHUBIIHMC-LALPHHSUSA-N	291.395	1.978	10	20	CDCD	
CO[C@@H](C)CC(=O)NC[C@H](N)c1ccc(N(C)C)cc1	832282009	XFWKUIQJBDQZAP-FZMZJTMJSA-N	279.384	1.294	10	20	CDCD	
Cc1ccc(C(=O)N2CCC[C@@H]2c2ncon2)c(O)c1O	848114937	VGMUPLHTORDTNN-SNVBAGLBSA-N	289.291	1.767	10	20	CDCD	
COCCC1(CNC(=O)NCCc2ccc(N)cc2)CC1	841862233	ZPTYOVTTWXPZJD-UHFFFAOYSA-N	291.395	1.927	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC[C@@H](O)CN1CCCC1	840930886	PRIHSQUQQADEIQ-QGZVFWFLSA-N	291.439	1.607	10	20	CDCD	
Nc1ccc(CC(=O)N2CCNC[C@@H]2c2ccccc2)cc1	841857737	WPDMOMRELNADAM-QGZVFWFLSA-N	295.386	1.984	10	20	CDCD	
CCOCc1cc(CNCCNC)ccc1OC	841034827	FQALDZRDGWRXJA-UHFFFAOYSA-N	252.358	1.541	10	20	CDCD	
C[C@H](CO)CN(C)c1ccc(OCC(=O)O)cc1	846280503	YTFKTTQNXJSPPP-JTQLQIEISA-N	253.298	1.215	10	20	CDCD	
CNC[C@@H](C)NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1	851658960	JFIFHBCACMXUGV-NEPJUHHUSA-N	278.400	1.721	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)NC[C@H](CO)CC1CC1	855916232	MAHNVMYIPWVYMB-RYWCDNDXSA-N	291.347	1.636	10	20	CDCD	
COc1ccc(O)c(CNC(=O)C2CC(OC)C2)c1	860242178	QTHBXSPMOMUFEF-UHFFFAOYSA-N	265.309	1.442	10	20	CDCD	
COc1cccc(O)c1CN1CCC[C@@H](OCCO)C1	769384697	TYUCDICGSOEBNH-GFCCVEGCSA-N	281.352	1.374	10	20	CDCD	
COC(=O)[C@@H]1CN(Cc2cc(OC)c(C)cc2O)C[C@H]1C	768463488	KATRHYMSRCTMDV-DGCLKSJQSA-N	293.363	1.950	10	20	CDCD	
COC(=O)C[C@H]1CCCN1C(=O)c1cc(O)cs1	772574469	CIVMUYLXWIGNNH-MRVPVSSYSA-N	269.322	1.621	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)c1nccs1	770633093	VMQHRBYEVCITKA-UHFFFAOYSA-N	264.306	1.527	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCN(C)C2=O)c1	773408125	QUZNJDBYQIJWQY-ONGXEEELSA-N	292.335	1.056	10	20	CDCD	
COC(=O)CN(Cc1ccccc1O)C1CCOCC1	770505278	NHDIWGQJQOWVBZ-UHFFFAOYSA-N	279.336	1.546	10	20	CDCD	
CN1CCCC[C@H](C(=O)Nc2ccc(N)cc2)C1=O	876504813	XRMCIAJMSLRJGX-GFCCVEGCSA-N	261.325	1.466	10	20	CDCD	
CCOc1ccc(CN2C[C@H]3COC[C@H]3C2)c(O)c1	872267081	RVZVPLCJQMZNRT-BETUJISGSA-N	263.337	1.869	10	20	CDCD	
CN1CCCc2cc(CNC(=O)CCCCO)ccc21	771505150	XXYAXHQHYQVALX-UHFFFAOYSA-N	276.380	1.848	10	20	CDCD	
OC[C@@H](C[C@@H]1CCCO1)NCc1cc2c(cc1O)OCO2	886228578	BOYHBBPQZKFKEE-NEPJUHHUSA-N	295.335	1.141	10	20	CDCD	
C[C@@H](NCC1(S(C)(=O)=O)CC1)c1c(O)cccc1F	886605422	QDKLBIICEBJBGA-SECBINFHSA-N	287.356	1.759	10	20	CDCD	
NC(=O)CC1CCN(Cc2cc(F)cc(F)c2O)CC1	893947674	ZGDFKUMNHJHNHW-UHFFFAOYSA-N	284.306	1.758	10	20	CDCD	
C[C@@H](NCC1(C)OCCO1)c1cc(F)ccc1O	186212142	ASYBVDXXTBKMHH-SECBINFHSA-N	255.289	1.945	10	20	CDCD	
CCc1cccc(CN[C@@H](CCO)COC)c1O	691493785	LDTBFOOSKUHSCE-ZDUSSCGKSA-N	253.342	1.442	10	20	CDCD	
COc1cccc(CN2CCC[C@@H]([C@@H](C)N)C2)c1O	70171772	VMFKQIMCTABALT-VXGBXAGGSA-N	264.369	1.960	10	20	CDCD	
CCOc1ccc(N2CCN(C(=O)[C@H](C)O)CC2)cc1	1255573166	HXEPDZKCDLNLBZ-LBPRGKRZSA-N	278.352	1.115	10	20	CDCD	
CCOC(=O)[C@@H]1CSCCN1Cc1ccc(N)cc1	1356082874	GPAGYIBJBPZCAQ-ZDUSSCGKSA-N	280.393	1.749	10	20	CDCD	
O=C(O)C[C@H]1CN(Cc2cccc(F)c2O)CCO1	1601961555	FVAJALFWNNYCBY-JTQLQIEISA-N	269.272	1.207	10	20	CDCD	
C[C@H](NCC1(N)CCC1)c1cc(C(=O)O)ccc1O	1609780080	SLBCWXKANRHZMR-VIFPVBQESA-N	264.325	1.622	10	20	CDCD	
Nc1ccc(CNC(=O)CN2CSCCSC2)cc1	1580443517	MUWYNEOVMOCKDS-UHFFFAOYSA-N	297.449	1.582	10	20	CDCD	
COC(=O)CC1(NCc2cc(C)ccc2O)CCOCC1	152541543	QZVDHHKPWPHAPQ-UHFFFAOYSA-N	293.363	1.903	10	20	CDCD	
COc1ccnc(C(=O)NCCc2ccc(O)c(O)c2)c1	156604490	DCVIEHCDZRJIJI-UHFFFAOYSA-N	288.303	1.474	10	20	CDCD	
CC(C)(F)C(=O)NCc1ccc(N2CCOCC2)cc1	154521650	BIBHPVZMZIDBOA-UHFFFAOYSA-N	280.343	1.888	10	20	CDCD	
O=C(NCCNCc1ccc2c(c1)CCCO2)C1CC1	921483080	CNOAHEZCZWMWKJ-UHFFFAOYSA-N	274.364	1.627	10	20	CDCD	
OCCOCCCNCc1ccc(N2CCCC2)cc1	227331486	XDNLDIPMPVXBMV-UHFFFAOYSA-N	278.396	1.775	10	20	CDCD	
COc1ccc(CNC[C@@H]2CCS(=O)(=O)C2)cc1C	37982774	LZAXSJJAODTHMA-ZDUSSCGKSA-N	283.393	1.528	10	20	CDCD	
COCC[C@@](C)(O)CN[C@@H](C)c1ccc(F)cc1O	185467142	TYAPCCDSZQNLHP-IINYFYTJSA-N	271.332	1.969	10	20	CDCD	
COc1cccc(CNC(=O)[C@H](NC(C)=O)C(C)C)c1O	105652405	QZAXVWCLXNLXQM-CYBMUJFWSA-N	294.351	1.178	10	20	CDCD	
Nc1ccc(NC(=O)CN2C(=O)COc3ccccc32)cc1	22238565	PCPKQGIGGCHULJ-UHFFFAOYSA-N	297.314	1.633	10	20	CDCD	
CN(CC(=O)NCc1ccccn1)Cc1ccccc1O	111235955	MPHPFTJCXHEIHZ-UHFFFAOYSA-N	285.347	1.535	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Cn1cccn1	183474090	ORXBZIBGFBHKIW-SNVBAGLBSA-N	275.308	1.042	10	20	CDCD	
N[C@H](CC(=O)O)c1cc(Br)ccc1O	44214818	MSPXYAMOMRDXEZ-SSDOTTSWSA-N	260.087	1.629	10	20	CDCD	
Cc1ccc(O)c([C@H](C)N[C@H](C)CN2CCN(C)CC2)c1	185392020	KZVVIQTWJRVYIQ-CABCVRRESA-N	291.439	1.987	10	20	CDCD	
COCCOCCN[C@H](C)c1ccc(F)c(F)c1O	191220134	USLXBOWMQQDSGN-SECBINFHSA-N	275.295	1.984	10	20	CDCD	
CN(C)C(=O)O[C@@H]1CCN(Cc2cc(F)ccc2O)C1	295162705	SJUIEIVWDPYURX-GFCCVEGCSA-N	282.315	1.804	10	20	CDCD	
CCCCN(CC(N)=O)Cc1cc(OCC)ccc1O	91950506	RQWXZLUWNZPSRW-UHFFFAOYSA-N	280.368	1.878	10	20	CDCD	
CN(C)C/C=C/C(=O)NCc1ccc(N(C)C)cc1	265590114	AUUVPNRWCUILRI-AATRIKPKSA-N	261.369	1.487	10	20	CDCD	
CCO[C@@H]1C[C@@H](NCc2cc(OC)ccc2O)[C@@H]1OC	272529804	AYRYDNFYMLKIOJ-YUELXQCFSA-N	281.352	1.683	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)C1(O)CCCC1	808096002	ZVGXNNYDKGDLGS-UHFFFAOYSA-N	284.352	1.799	10	20	CDCD	
O=C1C[C@@H](CNCc2ccc(N3CCCCC3)cc2)CN1	398337582	ITCVSOBWXFRLSG-HNNXBMFYSA-N	287.407	1.903	10	20	CDCD	
C[C@H](CCO)CCNC(=O)/C=C/c1ccc(O)c(O)c1	295908618	IILZVYXEVBXWPO-TZNOJPMFSA-N	279.336	1.636	10	20	CDCD	
CC[C@H](CO)N(C)CC(=O)NCc1ccc(N(C)C)cc1	298545681	YBMGVNOIPOKWCD-CQSZACIVSA-N	293.411	1.072	10	20	CDCD	
COc1ccc(OCCCC(=O)OCC(=O)C(C)=O)cc1	808484713	SIZDSTMGTKPEJB-UHFFFAOYSA-N	294.303	1.556	10	20	CDCD	
COC1([C@H](C)NC(=O)c2cc(O)cs2)CCOCC1	817770900	ODCRVPCTKLMGTH-VIFPVBQESA-N	285.365	1.768	10	20	CDCD	
COc1cccc(O)c1CN1CC[C@H](CCCO)C1	825336875	AGRLCJCNGGRILX-LBPRGKRZSA-N	265.353	1.995	10	20	CDCD	
COc1cccc(CN[C@@H](C)C(=O)OC(C)C)c1O	825117578	HMUZCJSLVNDRII-JTQLQIEISA-N	267.325	1.831	10	20	CDCD	
CCN1CCN(CC(C)(C)NCc2ccccc2O)CC1	825275548	SGHFMPQFEFNTKZ-UHFFFAOYSA-N	291.439	1.898	10	20	CDCD	
CN(C[C@@H](O)C1CC1)C(=O)c1c(F)ccc(O)c1O	827426001	NYTQCYVAVQISIG-SNVBAGLBSA-N	269.272	1.080	10	20	CDCD	
CCN(CC)c1ccc(CN2C[C@@H](O)[C@H](OC)C2)cc1	825017556	UMZBXGBGCVUICO-HZPDHXFCSA-N	278.396	1.724	10	20	CDCD	
Cn1cc(NC(=O)c2cc(O)cs2)cc1C(N)=O	732267906	BIYBUSKERWJLEE-UHFFFAOYSA-N	265.294	1.143	10	20	CDCD	
COC[C@](C)(O)CNCc1ccc(N(C)C)c(F)c1	733326544	JTRQKOLQUCWGJX-CQSZACIVSA-N	270.348	1.379	10	20	CDCD	
Cc1cc(Br)cc(CNCCCON)c1O	904456192	GALOFKJITAWBBT-UHFFFAOYSA-N	289.173	1.833	10	20	CDCD	
O=[N+]([O-])c1ccc(O)c(CN[C@@H](CO)[C@H]2CCCOC2)c1	839651835	SCIOHXMNKYBBJV-GWCFXTLKSA-N	296.323	1.178	10	20	CDCD	
O=C(O)NCC(=O)NCCCSc1nccs1	738651611	LXGQMRREMDJOHD-UHFFFAOYSA-N	275.355	1.009	10	20	CDCD	
C[C@@H](C(=O)NCc1ccc(O)cc1O)c1cnn(C)c1	910951279	QSWRIXUCEGDFPW-SECBINFHSA-N	275.308	1.251	10	20	CDCD	
NCc1ccc2c(c1)CCCN2C[C@H]1CCCNC1	843057959	IVDKBLBXAMSLMS-AWEZNQCLSA-N	259.397	1.898	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2C[C@H](C)NC[C@H]2C)c1O	842474590	VRNQDCXRTLIQSH-VHSXEESVSA-N	280.343	1.916	10	20	CDCD	
COCCN1C(=O)C2(CC2)N[C@H]1c1cc(OC)ccc1O	840836858	DEGFCJDDFSDKPM-CYBMUJFWSA-N	292.335	1.010	10	20	CDCD	
CN(C)c1ccc(CNCC2(N)CCC2)cc1F	841050456	FTMQJYCVMYZCAK-UHFFFAOYSA-N	251.349	1.863	10	20	CDCD	
C[C@@H](N[C@@H]1CCCN(C)C1=O)c1cc([N+](=O)[O-])ccc1O	756638791	RUNHNBRIRPJVMY-BXKDBHETSA-N	293.323	1.572	10	20	CDCD	
C[C@@H]1C[C@H](NCc2ccc(N3CCC(O)CC3)cc2)CO1	850406934	ZLXLQPWSSBVSGD-HIFRSBDPSA-N	290.407	1.915	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)OCCC1OCCCO1	759597316	QUGQYYZCWMNIIN-HYXAFXHYSA-N	294.303	1.807	10	20	CDCD	
C[C@@H]1CSCCN1C(=O)Cc1ccc(N)cc1	70218778	VWEQBCZWXIRSGJ-SNVBAGLBSA-N	250.367	1.775	10	20	CDCD	
CC(C)(C)NCCC(=O)NCc1ccc(O)c(O)c1	934945255	YOLPXLHWXVMGQM-UHFFFAOYSA-N	266.341	1.492	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)C(C)(C)O	935949279	XGRHEYBBWUOAMR-UHFFFAOYSA-N	258.314	1.265	10	20	CDCD	
CC(C)C(=O)NCCN(C)C(=O)c1cc(O)cs1	768559442	NMAZGVWIQXSXSS-UHFFFAOYSA-N	270.354	1.298	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)CNC(=O)CC(C)(C)C)c1	862759146	XGZXELUCNPEBPU-UHFFFAOYSA-N	292.379	1.869	10	20	CDCD	
Cc1cccc(O)c1CN[C@H](C)[C@@H]1CN(C)CCO1	877099262	DUXVZDYOIDJVLG-DOMZBBRYSA-N	264.369	1.509	10	20	CDCD	
COCCCOCC(=O)N[C@@H](C)c1cc(OC)ccc1O	775781117	ZYPZVQYGDINFAK-NSHDSACASA-N	297.351	1.631	10	20	CDCD	
CN1CC[C@@H](NCc2ccc(N3CCC(O)CC3)cc2)C1	877019104	GOARLHKLTWSWGJ-OAHLLOKOSA-N	289.423	1.441	10	20	CDCD	
Cc1cccc(CN(C)CCNC(=O)N(C)C)c1O	779432297	QRPKRTRMBDMNNH-UHFFFAOYSA-N	265.357	1.404	10	20	CDCD	
CO[C@@H](CNC(=O)NCc1ccc(N)cc1)C1CC1	1120624489	PWFPTYUITFEQAQ-ZDUSSCGKSA-N	263.341	1.493	10	20	CDCD	
CC(=O)NC(C)(C)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	773740904	QJJPNENRFZNCRF-SECBINFHSA-N	294.351	1.060	10	20	CDCD	
COC(=O)C1CN(c2cc(OC)c(OC)cc2[N+](=O)[O-])C1	1120887864	BPTOIEACDAUANB-UHFFFAOYSA-N	296.279	1.221	10	20	CDCD	
C[C@H]1C(=O)CCCN1C(=O)/C=C\c1ccc(O)c(O)c1	885048625	VMMPMERALFBCHY-BXKUYDPTSA-N	275.304	1.691	10	20	CDCD	
COc1ccc(CN[C@@H](C)[C@H](C)OC)c(O)c1OC	893932923	LEZDBBMMJOXGGV-UWVGGRQHSA-N	269.341	1.922	10	20	CDCD	
COc1ccc(CNC(=O)CCc2ccncn2)c(O)c1	794378866	XGHLURRDDSSDSU-UHFFFAOYSA-N	287.319	1.440	10	20	CDCD	
CCOC(=O)C1(CNC(=O)c2cccc(O)c2O)CC1	790938552	XGSWIGXFIOHFGC-UHFFFAOYSA-N	279.292	1.171	10	20	CDCD	
O=C(NCc1cn2ccsc2n1)c1cccc(O)c1O	790515778	HZXBECKETWXXQA-UHFFFAOYSA-N	289.316	1.737	10	20	CDCD	
CC[C@H](C(N)=O)N1CCN(c2ccc(OC)cc2)CC1	61678892	JZXDVWQAZIVHRM-CQSZACIVSA-N	277.368	1.081	10	20	CDCD	
CC(C)CNCC(=O)N(C)Cc1ccc(N(C)C)cc1	692277016	AJCWUFNPBOGQKW-UHFFFAOYSA-N	277.412	1.957	10	20	CDCD	
C[C@H](CC(N)=O)NCc1cc(F)c(N(C)C)cc1F	1329966305	LSSPRPHQRLFJHZ-MRVPVSSYSA-N	271.311	1.384	10	20	CDCD	
C[C@@H]1O[C@H](C)[C@H](C(=O)NCCc2ccc(N)cc2)[C@H]1C	87206648	YDWFUBWPZIDPOS-UUIJZJDISA-N	276.380	1.987	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NC[C@H]2CCOC2)c1	1331277045	FXEJJDRMLMUZFR-LLVKDONJSA-N	264.325	1.536	10	20	CDCD	
CC[C@H](NCc1ccc(N2CCCC2)cc1)C(=O)NC	697830040	RZGSEVYWUCDNQK-HNNXBMFYSA-N	275.396	1.901	10	20	CDCD	
CC[C@@]1(CO)CCCN(C(=O)NCc2ccc(N)cc2)C1	1337018208	HMHOHYXEWMNDKB-MRXNPFEDSA-N	291.395	1.963	10	20	CDCD	
CN(C)C(=O)OCCOC(=O)c1cc(O)cs1	1342861116	NXCHSZJWIPRMMA-UHFFFAOYSA-N	259.283	1.309	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1cc(N)ccn1	1351022252	ITTNXRJMSOZRFU-UHFFFAOYSA-N	298.346	1.769	10	20	CDCD	
CCOCCOCCNCc1ccc(N(C)C)cc1	922940624	CTKGXCQBDHLBGM-UHFFFAOYSA-N	266.385	1.895	10	20	CDCD	
C[C@H]1CN(C(=O)C2=CC[C@H](N)C2)c2cccc(F)c2O1	1576762130	IBYCQNCLYOQFTJ-ONGXEEELSA-N	276.311	1.987	10	20	CDCD	
COc1ccc(N2CC[C@H](N[C@@H]3C[C@H](N)C3(C)C)C2)cc1	1579224734	UPMGBNUUPTURHB-VBNZEHGJSA-N	289.423	1.989	10	20	CDCD	
CC(C)[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C(=O)O	1591889833	SCFDNURUZSBJBX-JTQLQIEISA-N	292.295	1.688	10	20	CDCD	
CO[C@@]1(CNCc2ccc3c(c2)CCCN3C)CCOC1	160121986	BGOBLSWAQUUIHZ-QGZVFWFLSA-N	290.407	1.964	10	20	CDCD	
C[C@H](CS(C)(=O)=O)NCc1cc(F)ccc1O	226608175	XCADCVDNFNTSGM-MRVPVSSYSA-N	261.318	1.054	10	20	CDCD	
COc1ccc(O)c([C@H](C)N[C@H](C)C(=O)N(C)C)c1	36794241	CNTXMKCFECEOCA-VHSXEESVSA-N	266.341	1.528	10	20	CDCD	
C[S@](=O)C1(CNCc2cc3c(cc2O)OCO3)CCC1	280548074	DNTMRLSJGBDKJT-FQEVSTJZSA-N	297.376	1.512	10	20	CDCD	
CS(=O)(=O)N1CC[C@@H](N[C@@H]2CCc3cccc(O)c32)C1	400252928	OSDPLLRAIWBGSC-VXGBXAGGSA-N	296.392	1.003	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H](C)OC)c1	103529276	VATNTMWLFPDKHQ-DTWKUNHWSA-N	253.298	1.613	10	20	CDCD	
CC(C)OCC(=O)NCc1ccc(N(C)C)cc1	49086166	HTFZWTFERGKVGC-UHFFFAOYSA-N	250.342	1.794	10	20	CDCD	
COc1cccc(CN[C@@H]2CCC[C@@H]2CO)c1O	230681242	IGLZHOXBMKZLJE-VXGBXAGGSA-N	251.326	1.651	10	20	CDCD	
CCNC(=O)N1CCN(Cc2c(O)cccc2Cl)CC1	121589910	JHGIQFWQGQGQMQ-UHFFFAOYSA-N	297.786	1.893	10	20	CDCD	
COc1ccc(O)c([C@H](C)NCCN2CCOC[C@H]2C)c1	185340162	CUDDEEGJLSWIBS-OLZOCXBDSA-N	294.395	1.772	10	20	CDCD	
CN(C)c1noc(CNCc2cc(F)ccc2O)n1	186415401	GBZQMNPZEPWJPS-UHFFFAOYSA-N	266.276	1.270	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](N)COC	159316880	MPSSHQSDGBSFIC-AWEZNQCLSA-N	279.384	1.075	10	20	CDCD	
C[C@H](NCC1(C(N)=O)CCOCC1)c1ccccc1O	183413804	XFQYMXUYIQRJNJ-NSHDSACASA-N	278.352	1.325	10	20	CDCD	
CCN(C)C(=O)[C@@H](C)NC(=O)N(C)Cc1ccccc1O	187968523	AGFQDIWEKBUHLR-LLVKDONJSA-N	293.367	1.400	10	20	CDCD	
O=S1(=O)CCC[C@H](CNCc2cc(F)ccc2O)C1	290568490	SXLCHSPXMGDOJM-SNVBAGLBSA-N	287.356	1.446	10	20	CDCD	
CN1CCCc2cc(CNC(=O)Cc3cnn(C)c3)ccc21	194843661	UBJBAKVAUBNKPQ-UHFFFAOYSA-N	298.390	1.661	10	20	CDCD	
CN1CCN(C2CCN(Cc3ccc(N)cc3)CC2)CC1	224504841	KWJPWMXEIAHNRA-UHFFFAOYSA-N	288.439	1.481	10	20	CDCD	
O=C(O)C[C@@H]1CSCCN1Cc1ccccc1O	91133811	YZDZFUQIRUWTDI-LLVKDONJSA-N	267.350	1.784	10	20	CDCD	
C[C@@H](NC[C@@H]1COCCN1)c1cc(Cl)ccc1O	530226377	OWVINMBZQYCJSM-MWLCHTKSSA-N	270.760	1.685	10	20	CDCD	
Cc1ccc(C(=O)N2CCO[C@H]3CCC[C@H]32)c(O)c1O	272765318	LZUQCGIKELVVCV-NEPJUHHUSA-N	277.320	1.800	10	20	CDCD	
COC1(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)CCC1	274893198	DIIOAFDVBAWVGP-SNVBAGLBSA-N	279.336	1.714	10	20	CDCD	
C[C@H]1C[C@@H](C)O[C@@H]1C(=O)NCc1ccc(O)c(O)c1	282312816	HCPRNYSIRUZEQU-RWEMILLDSA-N	265.309	1.528	10	20	CDCD	
O=[N+]([O-])c1ccc(O)c(CNCCC2(O)CCC2)c1	283803311	ASOSOYRPCRPORR-UHFFFAOYSA-N	266.297	1.695	10	20	CDCD	
CCOCC1(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)CC1	282249383	JMHYHXYRLPOXLN-LLVKDONJSA-N	293.363	1.962	10	20	CDCD	
CCOc1ccc(N(C)C[C@H](O)CN(C)C2CC2)cc1	809948745	LGNTWKZDFKPVMF-OAHLLOKOSA-N	278.396	1.977	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)NCC[C@H]2CCNC2)c1	817955209	SMFANZUUKVSMOA-NWDGAFQWSA-N	292.379	1.829	10	20	CDCD	
CCOC(=O)C(C)(C)CC(=O)NCc1ccc(O)c(O)c1	813489297	VBHXIVOAFVZCSY-UHFFFAOYSA-N	295.335	1.693	10	20	CDCD	
CO[C@@H]1COCC[C@@H]1CNCc1cc(F)ccc1O	824708930	LJIZBGPVLVVOQP-QMTHXVAHSA-N	269.316	1.672	10	20	CDCD	
CCNC(=O)CCCC(=O)N[C@H](C)c1ccccc1O	827930779	QRXNLZHNLPHFTD-LLVKDONJSA-N	278.352	1.876	10	20	CDCD	
COc1ccc(O)c(CN[C@H]2C[C@@H](C(=O)OC)C2)c1	827501664	ZZYYAXPREFCFGK-JGZJWPJOSA-N	265.309	1.442	10	20	CDCD	
COc1ccc(N(C)C[C@@H]2CCC(=O)O2)c(OC)c1	821396505	PFIMFHWIDXGWSR-NSHDSACASA-N	265.309	1.846	10	20	CDCD	
CCO[C@H]1C[C@@H](NC(=O)NCc2ccc(OC)cc2O)C1	838749448	MCXOJHPKRWMWDB-BJHJDKERSA-N	294.351	1.768	10	20	CDCD	
CN(C)c1ccc([C@@H](N)CNC[C@@]2(C)CCCNC2)cc1	904353416	MAIGCMNSLCMCRJ-IRXDYDNUSA-N	290.455	1.732	10	20	CDCD	
CN(CCN1CCCC1=O)C(=O)c1cc(O)cs1	733000884	FVMQNURKBYKRQB-UHFFFAOYSA-N	268.338	1.148	10	20	CDCD	
O=C1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)cs1	839777289	QMCBWZRPVOYLJS-OCAPTIKFSA-N	251.307	1.790	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CCCN2C=O)c1	830541013	QXVPHOKRUHVMEQ-ZWNOBZJWSA-N	292.335	1.199	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)[C@H]1CCNC1=O	830140654	FSLBAUQBNAWMNI-LBPRGKRZSA-N	276.336	1.267	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1COC[C@@H]1C	919081292	JWTLWEKPQUNKRQ-WFASDCNBSA-N	291.395	1.895	10	20	CDCD	
Cc1cc(Br)cc(CN2CC[C@H](N)C2)c1O	843047531	VEQVYXYJJUITQL-NSHDSACASA-N	285.185	1.996	10	20	CDCD	
C[C@H]1COC[C@H]1NC(=O)NCc1ccc(N(C)C)c(F)c1	915366809	UEDLINHRSCPLSS-GXFFZTMASA-N	295.358	1.726	10	20	CDCD	
CCOC(=O)C[C@H](C)CNC(=O)Nc1ccc(N)cc1	841297216	CLGMLFPILPIZHC-JTQLQIEISA-N	279.340	1.980	10	20	CDCD	
COc1cccc([C@H](C)NC[C@H]2CNC(=O)C2)c1O	846167850	FSDQRPUOXKTPQW-UWVGGRQHSA-N	264.325	1.188	10	20	CDCD	
CCN(CC)c1ccc(CNc2nccn3nnnc23)cc1	749145294	XEGYTZPZFWGWDN-UHFFFAOYSA-N	297.366	1.978	10	20	CDCD	
C[C@H](N[C@H]1CCc2c(nnn2C)C1)c1ccccc1O	848565617	YQANBCYRUVYYSU-QWRGUYRKSA-N	272.352	1.729	10	20	CDCD	
CC[C@H](C)C[C@@H](CO)NC(=O)c1c(F)ccc(O)c1O	844149485	QCZGTWFFJFIRMK-IUCAKERBSA-N	285.315	1.764	10	20	CDCD	
CCOC(=O)[C@H](F)C1CN(C(=O)c2cc(O)cs2)C1	854646124	FELWRGZRJITNMB-SNVBAGLBSA-N	287.312	1.427	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@@H](NC=O)C(C)C	859421199	PNSSUKDKTUUKAH-HNNXBMFYSA-N	291.395	1.448	10	20	CDCD	
COc1cccc([C@H](C)NCCN2CC[C@@H](O)C2)c1O	858547671	IDKNLCPWCLOYET-NWDGAFQWSA-N	280.368	1.118	10	20	CDCD	
C[C@@H]1C[C@H](N[C@@H]2COC[C@@H]2O)c2c(O)ccc(F)c21	866421221	XSULCXBUFYLBEX-LZDMXVKQSA-N	267.300	1.429	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)c2nc(C3CC3)nn2C)c1	863497976	BWYAZBAZBCQBJH-UHFFFAOYSA-N	286.335	1.637	10	20	CDCD	
CCOc1ccc(CN[C@H]2C[C@@H](CO)C2)c(O)c1	865663480	XONJFNWDZPSSIS-KLPPZKSPSA-N	251.326	1.651	10	20	CDCD	
CCC[C@@H]1C(=O)NCCN1Cc1c(O)cccc1OC	769516939	VRSQYRVWCRHPBV-GFCCVEGCSA-N	278.352	1.501	10	20	CDCD	
Cc1cccc(O)c1CN1CCC(O)(CO)CC1	877629594	WFYKSGAWVHOSHC-UHFFFAOYSA-N	251.326	1.020	10	20	CDCD	
CN1CCN(c2ccc(CN[C@H]3CCOC3)cc2)CC1	771856856	UJLZNMNMABANID-HNNXBMFYSA-N	275.396	1.317	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)[C@@H]1CCn2cncc2C1	778924559	XQLFZANKMHHWQG-LLVKDONJSA-N	287.319	1.173	10	20	CDCD	
COC(=O)[C@H](C)NCc1ccc(N2CCC(O)CC2)cc1	877477156	YPAAIQKPEQBJQV-LBPRGKRZSA-N	292.379	1.299	10	20	CDCD	
O=C(c1c(F)ccc(O)c1O)N1CCC(F)CC1	881611373	OMUBUWOUUHJNMT-UHFFFAOYSA-N	257.236	1.811	10	20	CDCD	
COC1(C)CN(C(=O)/C=C/c2ccc(O)c(O)c2)C1	779541263	XIGZFWZPXYVJHT-GQCTYLIASA-N	263.293	1.358	10	20	CDCD	
CCOc1ccc(CN2CC[C@@H](C)[C@@H]2CO)c(O)c1	785985294	UMKCOFSLEHVOLA-RISCZKNCSA-N	265.353	1.994	10	20	CDCD	
COC[C@@H](NCc1cc(Cl)cc(F)c1O)C(=O)OC	789577027	VKTYOWDQZZZTOU-SNVBAGLBSA-N	291.706	1.462	10	20	CDCD	
NC(=O)[C@H]1CCCN(Cc2ccc(N3CCCC3)cc2)C1	1204319021	DWQWKGYGXPIMRD-HNNXBMFYSA-N	287.407	1.984	10	20	CDCD	
C[C@]1(C(=O)NCCc2ccc(O)c(O)c2)CCCOC1	272966311	YCGBAYMKCJLODA-HNNXBMFYSA-N	279.336	1.573	10	20	CDCD	
COC(=O)N(C)CCNCc1ccc(N(C)C)cc1	701679934	GUNGWIDKSDZMCC-UHFFFAOYSA-N	265.357	1.540	10	20	CDCD	
Cc1cc(C(=O)NCCc2ccc(O)c(O)c2)n[nH]1	768900286	DHHUKIABYJVBDA-UHFFFAOYSA-N	261.281	1.102	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCOC[C@@H]1C1CC1	187211819	AIHKYLUOSZKWDP-LLVKDONJSA-N	263.293	1.349	10	20	CDCD	
CN1CC[C@@H]2CN(C(=O)NCc3ccc(N)cc3)C[C@@H]21	1338791907	CCZKTJLYVVCTOQ-OCCSQVGLSA-N	274.368	1.114	10	20	CDCD	
Nc1ccc(CN2CCC[C@H]([C@H]3C[C@H](N)CCO3)C2)cc1	1356083493	PQNNCRMOWUMCDL-USXIJHARSA-N	289.423	1.987	10	20	CDCD	
O=C(N[C@H](C(=O)O)C1CCOCC1)c1cc(O)cs1	1608384321	VMMLYSMSAQEHTR-JTQLQIEISA-N	285.321	1.063	10	20	CDCD	
C[C@H](NC(=O)c1ccc(-c2nn[nH]n2)o1)c1ccccc1O	1605440560	QVRKCWGWPJACIH-QMMMGPOBSA-N	299.290	1.656	10	20	CDCD	
Clc1cnc(Sc2nnccc2-c2nn[nH]n2)s1	1606198802	SAAUYYUCHAAHQT-UHFFFAOYSA-N	297.756	1.918	10	20	CDCD	
CC(C)(NC(=O)c1ccc(N=NC(N)=O)cc1)C(=O)O	1602952111	VXUJNHWXBLUZSQ-UHFFFAOYSA-N	278.268	1.442	10	20	CDCD	
COc1cn(C)nc1[C@H](C)NC(=O)Cc1ccc(N)cc1	1579318887	DPTVRJUACQIOSW-JTQLQIEISA-N	288.351	1.431	10	20	CDCD	
C[C@@H]1CN(C(=O)c2cc(O)cs2)C[C@H]1CCN	1579438014	RGRWCLKKFKSMKB-RKDXNWHRSA-N	254.355	1.511	10	20	CDCD	
CCN(C)c1ccc(CN2C[C@@H](C(=O)O)C[C@@H](O)C2)cc1	1596194493	OAZWIRANUSEWES-DZGCQCFKSA-N	292.379	1.410	10	20	CDCD	
CC(C)NC(=O)COc1ccc(N(C)C)c(C(=O)O)c1	1591647384	KBWUWMHJYRMRGB-UHFFFAOYSA-N	280.324	1.354	10	20	CDCD	
C[C@H](CC(=O)O)CC(=O)NCc1ccc(O)c(O)c1	1592388005	LWOQUFHDCIURRO-QMMMGPOBSA-N	267.281	1.215	10	20	CDCD	
CN(C)c1cc(F)c(CN[C@@H]2C[C@@]3(C(=O)O)C[C@@H]23)cc1F	1777038270	NCXVVHPTMPXSGS-UAKXVISKSA-N	296.317	1.984	10	20	CDCD	
CN(C[C@@H]1COCCO1)C(=O)Nc1ccc(N)cc1	850749144	BCIQJMBHYCGEEA-GFCCVEGCSA-N	265.313	1.148	10	20	CDCD	
COC[C@@H](CCO)N[C@@H](C)c1cc(OC)ccc1O	230663287	SZIVGHUJBGDCRM-WDEREUQCSA-N	269.341	1.449	10	20	CDCD	
CC(C)CS(=O)(=O)CC(=O)N(C)c1ccc(N)cc1	35320355	CYIBGUYNVBWOPW-UHFFFAOYSA-N	284.381	1.302	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NCc2nncn2C)c1	38007483	IZETVFBXSBLBMW-SECBINFHSA-N	262.313	1.380	10	20	CDCD	
C[C@@H](NCC(=O)NCC(F)(F)F)c1ccccc1O	179887394	MZMOOEWVPCBUKZ-MRVPVSSYSA-N	276.258	1.721	10	20	CDCD	
CC[C@@](C)(CNC(=O)c1cccc(O)c1O)OC	323065498	LXWYZBHNEQDQTK-ZDUSSCGKSA-N	253.298	1.643	10	20	CDCD	
NC(=O)[C@H]1CCN(Cc2c(O)cccc2Br)C1	707153054	SZMCFSONCJPCPE-QMMMGPOBSA-N	299.168	1.462	10	20	CDCD	
Oc1c(F)cc(F)cc1CNC[C@H]1CC[C@@H](O)C1	708548240	DDIKVUXGPULJKR-GZMMTYOYSA-N	257.280	1.921	10	20	CDCD	
CC(C)(CCNC(=O)Cc1ccc(N)cc1)C(=O)O	388473025	QWNDANXBPHJUQA-UHFFFAOYSA-N	264.325	1.428	10	20	CDCD	
COc1ccc(CN[C@H]2CCNC(=O)CC2)c(O)c1	396763466	KQHSTKPIQPHQRS-LLVKDONJSA-N	264.325	1.159	10	20	CDCD	
C[C@@H](NCCc1cnn[nH]1)c1ccc(N(C)C)cc1	851949831	JXDFXHTVBGRESS-LLVKDONJSA-N	259.357	1.764	10	20	CDCD	
CN(C)c1ccc(CNC(=O)C2CCOCC2)cc1F	58731147	CIWASCWULPKSCJ-UHFFFAOYSA-N	280.343	1.935	10	20	CDCD	
COCCN(C)CC(=O)N(C)Cc1ccc(N(C)C)cc1	54355280	DNOHEOHYDRHJRL-UHFFFAOYSA-N	293.411	1.289	10	20	CDCD	
COC(=O)[C@@H]1CCCN1Cc1cc(F)ccc1O	179904053	HWIHCASRTKNHOJ-NSHDSACASA-N	253.273	1.669	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@H]2CCOC2)cc1F	58733823	QWMYHFJGFHLVPX-NSHDSACASA-N	266.316	1.544	10	20	CDCD	
CN1CCCc2cc(CNC(=O)N[C@H]3CCOC3)ccc21	178760066	VRUVNQCTFLCKHY-AWEZNQCLSA-N	289.379	1.657	10	20	CDCD	
C[C@@]1(CNC(=O)/C=C/c2ccc(O)c(O)c2)CCCO1	181179358	YNPFHRDVMKYEPP-DRDHIDPGSA-N	277.320	1.796	10	20	CDCD	
CC(C)CS(=O)(=O)CC(=O)Nc1ccc(N)cc1	35058338	YZBJRINGOLHGAB-UHFFFAOYSA-N	270.354	1.278	10	20	CDCD	
C[C@@H]1CCCN(C[C@@H](C)NC(=O)c2cccc(O)c2O)C1	187007439	MKSDDYYFISOLJJ-VXGBXAGGSA-N	292.379	1.948	10	20	CDCD	
CN(C)c1ccc(CN2CCN([C@H]3CCNC3)CC2)cc1	314850425	VIZJYIYZDFRLSL-KRWDZBQOSA-N	288.439	1.232	10	20	CDCD	
CN1CCCc2cc(CNC(=O)C3CC(=O)C3)ccc21	136730627	ZUAIBTWKBCPOBD-UHFFFAOYSA-N	272.348	1.664	10	20	CDCD	
COc1ccc(N(C)Cc2nncn2C)c(OC)c1	132144309	FINVOLXFMVLHLA-UHFFFAOYSA-N	262.313	1.469	10	20	CDCD	
COCCn1ccc(C(=O)N(C)Cc2ccccc2O)n1	190114231	YQYOJGMOBWTELE-UHFFFAOYSA-N	289.335	1.507	10	20	CDCD	
COc1ccc(O)c(CNc2cccc(-n3cnnn3)c2)c1	237364620	OFSIBMAVOQROOG-UHFFFAOYSA-N	297.318	1.989	10	20	CDCD	
CC[C@@H]1C(=O)NCCN1Cc1cccc(OC)c1O	93050388	HQPLUOKDHGNBAM-LLVKDONJSA-N	264.325	1.111	10	20	CDCD	
Cc1cc(O)c([C@H]2NC(=O)[C@@H]3CSCCN23)cc1C	270818366	RFGXKJSLJSLOJI-AAEUAGOBSA-N	278.377	1.555	10	20	CDCD	
CCOC(=O)CC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	274944464	QHKGNFSUNQAXEJ-VIFPVBQESA-N	281.308	1.098	10	20	CDCD	
C[C@@H](NCc1ncn(C)n1)c1cc([N+](=O)[O-])ccc1O	273460298	HXKKASFMLYUESI-MRVPVSSYSA-N	277.284	1.280	10	20	CDCD	
CC[C@H](N[C@@H](CO)CCOC)c1ccc(F)cc1O	287614445	SPZSPRMPNJKBLA-YPMHNXCESA-N	271.332	1.969	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@H]1CCc2cnn(C)c2C1	282940989	YXDWOUDHKGSCSL-LBPRGKRZSA-N	299.374	1.889	10	20	CDCD	
CCN(CC)c1ccc(CN2CC(CC(N)=O)C2)cc1F	297295767	BFWFFMTXFRAZMD-UHFFFAOYSA-N	293.386	1.979	10	20	CDCD	
CN1CCC(CN(C)C(=O)c2c(F)ccc(O)c2O)CC1	295270780	OMDDWVRYGGXGRS-UHFFFAOYSA-N	296.342	1.651	10	20	CDCD	
O=C(CCCF)NCc1ccc(N2CCOCC2)cc1	823295110	CEQNGPHYXPCXRC-UHFFFAOYSA-N	280.343	1.889	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)c2coc(CN)c2)c1	828666809	IXBZYERGUPWATG-VIFPVBQESA-N	290.319	1.944	10	20	CDCD	
CCN(C)C(=O)NCc1ccc(N2CCC(O)CC2)cc1	823548162	JDODWJYRPSYBNK-UHFFFAOYSA-N	291.395	1.809	10	20	CDCD	
CCn1c(S)nnc1CNC(=O)c1cc(O)cs1	732287175	OJJYRTYRRCLYEX-UHFFFAOYSA-N	284.366	1.284	10	20	CDCD	
CCOc1ccc(CN2CC[C@@H](CCN)C2)c(O)c1	904405435	IKZUUAUVKAEPIV-GFCCVEGCSA-N	264.369	1.962	10	20	CDCD	
CNC[C@@H](C)C(=O)NCc1c(O)ccc2c1CCCC2	830597488	LCILPDRKDXUELI-LLVKDONJSA-N	276.380	1.743	10	20	CDCD	
CC(C)CC(=O)NCCC(=O)NCc1ccc(O)cc1O	910951940	ZBTBDJKAONAIRH-UHFFFAOYSA-N	294.351	1.266	10	20	CDCD	
COc1cccc(CNC(=O)Cn2cc(C)cn2)c1O	740925881	WRTYBVSEIUEFCZ-UHFFFAOYSA-N	275.308	1.222	10	20	CDCD	
CCNCCCNC(=O)NCc1ccc(N(C)C)c(F)c1	841759408	FSJPWOZJJNZIBO-UHFFFAOYSA-N	296.390	1.691	10	20	CDCD	
Nc1ccc(NC(=O)C(=O)N2CCC[C@@H]3CCC[C@@H]32)cc1	841052600	VBPMVJFONULKOS-FZMZJTMJSA-N	287.363	1.998	10	20	CDCD	
C[C@@H](Cc1cnc[nH]1)C(=O)NCc1ccc(O)cc1O	910945455	WRRYIDPSEJHZDL-VIFPVBQESA-N	275.308	1.316	10	20	CDCD	
COC[C@H]1C[C@@H](O)CN1Cc1cc(C)c(C)cc1O	846053868	ZKNTZKZOJKIXBJ-ZIAGYGMSSA-N	265.353	1.591	10	20	CDCD	
Cc1cc(O)c(CN2CCO[C@H]([C@H](C)N)C2)cc1C	843057546	JOQXPUUAZIXDEN-WFASDCNBSA-N	264.369	1.557	10	20	CDCD	
COC[C@@]1(CNCc2cccc(Cl)c2O)CCCN1	841067309	MYZFJMCJFMSQMX-AWEZNQCLSA-N	284.787	1.904	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)Cn1cc([N+](=O)[O-])cn1	914566446	IVONPMYFYSJYQU-UHFFFAOYSA-N	289.339	1.947	10	20	CDCD	
CO[C@@H](CS(=O)(=O)Nc1ccc(O)cc1F)C(C)C	842589205	SPCVGPVEDVITFJ-LBPRGKRZSA-N	291.344	1.944	10	20	CDCD	
CC(C)[C@H](N)CNC(=O)N(C)Cc1ccc(N(C)C)cc1	841944070	VMEAXDDWRQWYGS-OAHLLOKOSA-N	292.427	1.877	10	20	CDCD	
CCONC(=O)CNCc1cc(Cl)c(F)cc1O	846090998	HPUBKOTVKJGQLK-UHFFFAOYSA-N	276.695	1.342	10	20	CDCD	
CCOc1ccc(O)c(CN[C@@H](CCN)C(F)F)c1	841073950	KJIFGAGSOCRXHX-NSHDSACASA-N	274.311	1.863	10	20	CDCD	
CNC[C@@H](C)N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1	854233320	XUPYUBJTCYNWPE-OLZOCXBDSA-N	295.402	1.921	10	20	CDCD	
C[C@H]1CN(C(=O)/C=C\c2cnn(C)c2)c2cccnc2O1	752864781	STOMAJQNKMICDM-GZTOBOFZSA-N	284.319	1.642	10	20	CDCD	
C[C@H](O)[C@H](C)NCc1ccc(N2CCC(O)CC2)cc1	853121179	AYHQVUNDQLCPPN-STQMWFEESA-N	278.396	1.507	10	20	CDCD	
COc1cc(C)cc(CN(C)[C@@H]2CCNC2=O)c1O	758410499	WBGKVEXWFQCIFG-LLVKDONJSA-N	264.325	1.030	10	20	CDCD	
COc1ccc(O)c(CN[C@H](C)Cc2cnccn2)c1	776066459	SALLFTIRJPMFGP-LLVKDONJSA-N	273.336	1.912	10	20	CDCD	
C[C@H](NCC(=O)N=S(C)(C)=O)c1ccc(N(C)C)cc1	878455033	NHQKTFXRYULAFX-NSHDSACASA-N	297.424	1.657	10	20	CDCD	
Cn1cc(/C=C\C(=O)N2CCc3ncccc32)cn1	770217334	MMRSWJZBUFRHJS-PLNGDYQASA-N	254.293	1.418	10	20	CDCD	
CCO[C@@H](C)C(=O)OCC(=O)c1ccc(O)c(O)c1	782887147	UNMAYGCTYMHAJM-QMMMGPOBSA-N	268.265	1.249	10	20	CDCD	
C[C@H](Nc1cnn(CC(=O)N(C)C)c1)c1ccccc1O	783532706	KQXXNGMTGSUFMB-NSHDSACASA-N	288.351	1.850	10	20	CDCD	
CCc1cc(CNC(=O)c2ccc(C)c(O)c2O)n[nH]1	780940531	PCMWRKQZNBLOLU-UHFFFAOYSA-N	275.308	1.622	10	20	CDCD	
COc1cc(C)cc(CN[C@@H](C)CN2CCCC2=O)c1O	894197548	VQFBFYCIQYZOQI-LBPRGKRZSA-N	292.379	1.810	10	20	CDCD	
CC[C@@]1(O)CCN(Cc2ccc(OC)c(OC)c2O)C1	893719952	TXZWBIFSFSBMJR-OAHLLOKOSA-N	281.352	1.756	10	20	CDCD	
COc1ccc(CNC(=O)[C@]2(OC)CCSC2)c(O)c1	897628692	IHPCXWOPORVXLQ-AWEZNQCLSA-N	297.376	1.539	10	20	CDCD	
C[C@@H](NCc1cnc2n1CCOC2)c1ccccc1O	895131340	WZUCLEUFFLUDHW-LLVKDONJSA-N	273.336	1.970	10	20	CDCD	
COc1ccc(CNC(=O)C2(OC)CCCC2)c(O)c1	794389968	UKMOZGQIZWGFNL-UHFFFAOYSA-N	279.336	1.976	10	20	CDCD	
O=S(=O)(C[C@@H]1CCCOC1)NCc1ccccc1O	792766740	SISLEWDYLNSEFA-LLVKDONJSA-N	285.365	1.238	10	20	CDCD	
COCC(=O)NCCC1=CCN(c2cc(C)ncn2)CC1	1089797687	FPAGPWKIIKKLJJ-UHFFFAOYSA-N	290.367	1.074	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)C2(N)CC2)cc1	83449288	BBXXQAVMXGYLQR-UHFFFAOYSA-N	261.369	1.640	10	20	CDCD	
C[C@H]1CCCN(C(=O)NCc2ccc(N)cc2)[C@H]1CCN	1337019796	VLLWGNHPZNVLRM-WFASDCNBSA-N	290.411	1.928	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H]2CCOC2)c1	1338564176	ZGLLVXOASVQAPY-MNOVXSKESA-N	294.351	1.798	10	20	CDCD	
C[C@@H](CCC(=O)O)CNCc1cc([N+](=O)[O-])ccc1O	1343648260	NFUQAEQNINJVJO-VIFPVBQESA-N	282.296	1.891	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)C(=O)NCc1ccccc1	1345658120	XKTSRATUCWPCPK-UHFFFAOYSA-N	298.342	1.667	10	20	CDCD	
C[C@@H](NC(=O)CCc1nc[nH]n1)c1ccccc1O	1349735942	VWKUHIYKTYVYJV-SECBINFHSA-N	260.297	1.320	10	20	CDCD	
Cn1nc(C2CC2)cc1CNC(=O)NCc1ccc(N)cc1	1262598187	LIZYMZJXWHUNHW-UHFFFAOYSA-N	299.378	1.879	10	20	CDCD	
COc1ccc(CNC(=O)[C@@]2(C)CC(C)=NO2)c(O)c1	1358184913	GIBODOPRQOGGBE-CQSZACIVSA-N	278.308	1.572	10	20	CDCD	
O=C(O)[C@H](O)C1CCN(Cc2ccc(Cl)cc2O)CC1	1601684781	NHZZDEQRTVSBCF-CYBMUJFWSA-N	299.754	1.703	10	20	CDCD	
O=C(O)[C@H](Cc1cncs1)NCc1cccc(F)c1O	1601663557	XIDLYRKELITDHW-NSHDSACASA-N	296.323	1.773	10	20	CDCD	
COc1cccc(CNC(=O)[C@@H]2CCC[C@@H](N)C2)c1O	1579277259	ASAVYNDGUQQZGG-ZYHUDNBSSA-N	278.352	1.535	10	20	CDCD	
C[C@@H]1CN(Cc2ccc(F)c(F)c2O)[C@H](C)CN1	1576809263	RKGIMYTVSLOBBU-RKDXNWHRSA-N	256.296	1.853	10	20	CDCD	
CC(C)C[C@@H](N)CC(=O)N[C@H](C)Cc1ccc(O)c(O)c1	1575627411	RVUSHJOBWCPMDK-DGCLKSJQSA-N	294.395	1.909	10	20	CDCD	
C[C@@H]1C[C@H](C(=O)O)CN(C(=O)c2c(F)ccc(O)c2O)C1	1589272985	SGJHCLAMWWUGNN-SFYZADRCSA-N	297.282	1.420	10	20	CDCD	
C[C@@H](NCc1ccn(C)n1)c1cc(C(=O)O)ccc1O	1593303206	FBHNBAALNRVSNJ-SECBINFHSA-N	275.308	1.675	10	20	CDCD	
CCOC(=O)[C@@H](NC(=O)Cc1ccc(N)cc1)[C@@H](C)CC	161504118	XZGKONIBZRKRDC-NHYWBVRUSA-N	292.379	1.905	10	20	CDCD	
CC[C@@H]1CN(Cc2cc(OC)ccc2O)CC[C@@H]1N	122291823	VBMWMOFDSJSMRZ-RISCZKNCSA-N	264.369	1.960	10	20	CDCD	
COC(=O)[C@H](C)NCc1ccc(N2CCOCC2)cc1	37073707	YMRRNBIZMJSCOM-LBPRGKRZSA-N	278.352	1.174	10	20	CDCD	
Nc1ccc(CC(=O)NCCc2cccnc2)cc1	37717535	QEZAZCYMDLAMOQ-UHFFFAOYSA-N	255.321	1.565	10	20	CDCD	
CC(C)S(=O)(=O)CCN[C@H]1CCc2cccc(O)c21	297326851	NRZKRUKGVYYTNV-LBPRGKRZSA-N	283.393	1.792	10	20	CDCD	
CNC(=O)C(C)(C)CN[C@H](C)c1ccc(F)cc1O	186223663	LXDWXCRDTSHQRT-SECBINFHSA-N	268.332	1.954	10	20	CDCD	
C[C@@H](NC(=O)C(C)(C)C)C(=O)N(C)c1ccc(N)cc1	702124835	ILNNGCNYBDUXKA-SNVBAGLBSA-N	277.368	1.782	10	20	CDCD	
CCc1cccc(CNCCC(=O)N(C)C)c1O	691483672	QAFGATIQPJOSLG-UHFFFAOYSA-N	250.342	1.523	10	20	CDCD	
CCc1cccc(CN(CC)CC(=O)N(C)C)c1O	692086925	QPGNEKDOKWWBJZ-UHFFFAOYSA-N	264.369	1.865	10	20	CDCD	
COCCCCN(C)Cc1cc2c(cc1O)OCO2	397147593	ICFHAXDTAQPUIQ-UHFFFAOYSA-N	267.325	1.979	10	20	CDCD	
CC(C)COC1CN(C(=O)Cc2ccc(N)cc2)C1	1575607869	KHKUVRKHROJZFH-UHFFFAOYSA-N	262.353	1.695	10	20	CDCD	
CC[C@@H](C)OCC(=O)NCc1cc(OC)ccc1O	134198841	NTACVAJCLMYWIM-SNVBAGLBSA-N	267.325	1.832	10	20	CDCD	
C[C@@H](CS(C)(=O)=O)N(Cc1ccccc1O)C1CC1	179575060	UNGQMSRNOPLJAX-NSHDSACASA-N	283.393	1.790	10	20	CDCD	
Cc1ccc([C@@H](O)CNC(=O)c2cccc(O)c2O)cc1	186929024	APXFAGVLJAITLD-AWEZNQCLSA-N	287.315	1.870	10	20	CDCD	
CC1(C)[C@H](O)C[C@H]1NCc1cc([N+](=O)[O-])ccc1O	183769930	XBCVZQIKLMHYQR-VXGBXAGGSA-N	266.297	1.549	10	20	CDCD	
CCC(CC)(NC(=O)/C=C/c1ccc(O)c(O)c1)C(N)=O	180727623	HXWWZYRNEJUFCH-SOFGYWHQSA-N	292.335	1.271	10	20	CDCD	
CCO[C@H]1C[C@@H]1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	186394731	ZCVAKVSYYBJKTL-CHIMOYNISA-N	279.336	1.570	10	20	CDCD	
Cc1cccc(CN2CC[C@H](CS(C)(=O)=O)C2)c1O	366554582	MRCOGPUYYLBLAA-LBPRGKRZSA-N	283.393	1.567	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCCCO1	186406418	XCBYJGQLCYYYAB-YGRLFVJLSA-N	279.336	1.714	10	20	CDCD	
COC(=O)C[C@H]1CN(Cc2cccc(Cl)c2O)CCO1	180287283	NLDFVCCXBPDDND-NSHDSACASA-N	299.754	1.810	10	20	CDCD	
CC(=O)N1CCN(C(=O)[C@H](C)Sc2nccs2)CC1	133244893	BVHBVROCCGOALV-VIFPVBQESA-N	299.421	1.314	10	20	CDCD	
C[C@@H]1CCN(C(=O)NCc2ccc(N(C)C)cc2)[C@@H]1CO	191044745	ISVQPPZGOWBEMO-IUODEOHRSA-N	291.395	1.665	10	20	CDCD	
Oc1cccc2c1[C@@H](NC[C@@]1(O)CCSC1)CC2	297744365	OCYMIBHSDSEVEN-FZMZJTMJSA-N	265.378	1.837	10	20	CDCD	
Cc1cccc(CN2CCC[C@H](N3CCNC3=O)C2)c1O	367738458	AVHLDNUOBCEVPQ-AWEZNQCLSA-N	289.379	1.690	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNCCN2CCCC2)c1O	278525663	TVFOHXWNZJAMQY-UHFFFAOYSA-N	295.339	1.494	10	20	CDCD	
CC(C)C[C@H]1C(=O)NCCN1C(=O)c1cccc(O)c1O	276019996	QSASODTUWDHGNJ-NSHDSACASA-N	292.335	1.085	10	20	CDCD	
COC(=O)[C@@H]1COCCN1Cc1cc(Cl)cc(C)c1O	271759447	YFRBDIHFXQQDBD-LBPRGKRZSA-N	299.754	1.728	10	20	CDCD	
C[C@@H]1CCN(Cc2ccccc2O)CC[S@]1=O	277655736	ORBWSPLDRORWPI-PIGZYNQJSA-N	253.367	1.735	10	20	CDCD	
CN(CCc1cnccn1)Cc1cc(F)ccc1O	273686386	ANKLJVRQRPKABD-UHFFFAOYSA-N	261.300	1.996	10	20	CDCD	
Cc1ccc(C(=O)NC[C@@H]2CCO[C@@H](C)C2)c(O)c1O	272982290	MBZABLULVOOWGP-WDEREUQCSA-N	279.336	1.951	10	20	CDCD	
CCCOc1ccc(CN[C@]2(C)CCOC2=O)c(O)c1	289704094	DZANKPZQUNTMNI-OAHLLOKOSA-N	279.336	1.976	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNCCC2(O)CCC2)c1O	284987292	IXMUNFRHWSHFKB-UHFFFAOYSA-N	296.323	1.704	10	20	CDCD	
Cc1ccc(O)c([C@@H](C)N[C@@H](C)C(=O)NCCF)c1	282690630	KGGVCYHHHXCTJN-MNOVXSKESA-N	268.332	1.825	10	20	CDCD	
COC(=O)N1CC(N[C@@H]2CCc3cccc(O)c32)C1	297137396	ZFNVDLKMCDLUFA-LLVKDONJSA-N	262.309	1.420	10	20	CDCD	
COC(=O)[C@H]1C[C@H](O)CN1Cc1ccc(N(C)C)c(C)c1	294400303	CLEBYDKBQIHSJW-DZGCQCFKSA-N	292.379	1.169	10	20	CDCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NCCS(C)(=O)=O	819373100	BFUDJVAJVHXMIA-CYBMUJFWSA-N	298.452	1.626	10	20	CDCD	
OC[C@]12C[C@@H]1CN(Cc1cc(Cl)c(F)cc1O)C2	816586868	WJAOLZOMDFXIHA-NOZJJQNGSA-N	271.719	1.999	10	20	CDCD	
CO[C@@H]1COCC[C@H]1CNCc1ccc(N(C)C)cc1	824708021	COQHCPZQYYXFBZ-GOEBONIOSA-N	278.396	1.894	10	20	CDCD	
C[C@@]1(C(=O)O)CCCN1Cc1cccc(F)c1O	903696914	CHLPGVYXKYHNIO-ZDUSSCGKSA-N	253.273	1.970	10	20	CDCD	
COCCN(C)CCCNC(=O)c1cc(O)cs1	732270546	XCUJOUKIJNXQGL-UHFFFAOYSA-N	272.370	1.152	10	20	CDCD	
C[C@H](NC(=O)C[C@H]1CCC(=O)N1)c1ccc(N(C)C)cc1	832431784	UQMVWQXZEFLRBE-WCQYABFASA-N	289.379	1.599	10	20	CDCD	
O=C(Nc1nn2cnnc2s1)c1cc(O)cs1	732266366	AKXPXXOFOAIIMF-UHFFFAOYSA-N	267.295	1.205	10	20	CDCD	
Cc1ccncc1C(=O)NC[C@H](N)c1ccc(N(C)C)cc1	832273782	QEARLKHMQALLKZ-INIZCTEOSA-N	298.390	1.886	10	20	CDCD	
COC1([C@H](C)NC(=O)c2cccc(O)c2O)CCC1	839877093	IOPUGWVPRQKCLG-VIFPVBQESA-N	265.309	1.785	10	20	CDCD	
O=C(NOCc1cccnc1)c1cc(O)cs1	747619110	GZUOUPIPXHVGQH-UHFFFAOYSA-N	250.279	1.710	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN(C)[C@@H]1CCNC1=O	840921487	TXHPFRYEJTZEJB-CQSZACIVSA-N	261.369	1.381	10	20	CDCD	
COc1ccc(N(C)CCN(C)C(=O)[C@@H](C)CN)cc1	846697333	OBONDFAZCNTBNY-LBPRGKRZSA-N	279.384	1.185	10	20	CDCD	
COC1CCN(S(=O)(=O)Nc2ccc(O)cc2)CC1	849306414	UOKPNCBDFYDSIG-UHFFFAOYSA-N	286.353	1.160	10	20	CDCD	
Cc1cc(O)c(CN2CC[C@H](O)[C@H](CO)C2)cc1C	840974871	JAGLFJHEMQUCME-KBPBESRZSA-N	265.353	1.184	10	20	CDCD	
CCc1nncn1CCN[C@H](C)c1cccc(OC)c1O	846148590	REXUSQNRVSPFLU-LLVKDONJSA-N	290.367	1.906	10	20	CDCD	
CCc1ncncc1C(=O)NCc1cccc(OC)c1O	743331684	AXDDHQRHPQJIMO-UHFFFAOYSA-N	287.319	1.683	10	20	CDCD	
C[C@@H](Cc1cnc[nH]1)C(=O)NCc1ccccc1O	847590049	SVYUXZVVWNWUQA-JTQLQIEISA-N	259.309	1.610	10	20	CDCD	
O=C(COC(=O)c1cccc(O)c1)c1ccc(O)c(O)c1	916589449	MWBUXFSVSBILIO-UHFFFAOYSA-N	288.255	1.843	10	20	CDCD	
CC[C@@H](C(=O)O)C(=O)N(C)Cc1ccc(N(C)C)cc1	911118902	RFXFDTIYDXJQGX-CYBMUJFWSA-N	278.352	1.822	10	20	CDCD	
CCN(C(=O)Cc1ccc(N)cc1)c1cnn(C)c1	848441693	ZZHBXTDQDNPDMR-UHFFFAOYSA-N	258.325	1.598	10	20	CDCD	
CC(C)N1CC[C@H](N2CCCc3cc(CN)ccc32)C1=O	843350745	UMDHYKRBQQDFMB-INIZCTEOSA-N	287.407	1.907	10	20	CDCD	
O=[N+]([O-])c1ccc(O)c(CNCC[C@@]2(O)CCCOC2)c1	846111106	QIWHCHIRSNVZAF-AWEZNQCLSA-N	296.323	1.322	10	20	CDCD	
OC[C@@H](O)CN(Cc1ccco1)Cc1ccccc1O	929969600	OEMJIDBPZKTNOG-ZDUSSCGKSA-N	277.320	1.341	10	20	CDCD	
CCOC(=O)COC(=O)/C=C/c1ccc(O)c(O)c1	759596958	XIRQQAPRNRTNFP-GQCTYLIASA-N	266.249	1.217	10	20	CDCD	
C[C@H](N[C@H]1C[C@H](CO)C1)c1cc([N+](=O)[O-])ccc1O	927148545	SAZZWWJAOKKKBA-GUBZILKMSA-N	266.297	1.722	10	20	CDCD	
C[C@@]1(CCC(=O)NCc2ccccc2O)CCC(=O)N1	753417015	YGNYKJZSOAFONJ-OAHLLOKOSA-N	276.336	1.457	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NCc2cnn(C)c2C)c1	858326514	SEGRPQCRNQRJQL-UHFFFAOYSA-N	288.351	1.742	10	20	CDCD	
CC(C)[C@H](NC=O)C(=O)NCc1ccc(N(C)C)cc1	858161169	FBLXPLYBWKBLJP-AWEZNQCLSA-N	277.368	1.139	10	20	CDCD	
C[C@@H](CO)NCc1ccc(Br)cc1O	691395619	OHGIYGVLZIEORO-ZETCQYMHSA-N	260.131	1.625	10	20	CDCD	
C[C@H](NC(=O)[C@@H]1CCOC(=O)N1)c1ccc(N(C)C)cc1	860951096	YLYLFYAQKFKJDC-GWCFXTLKSA-N	291.351	1.428	10	20	CDCD	
C[C@H](NC[C@@]1(O)CCN(C)C1)c1cc(Cl)ccc1O	762786892	LOTUVXLAHPINMI-HZMBPMFUSA-N	284.787	1.763	10	20	CDCD	
COc1ccc(CNC(=O)c2nc(C3CC3)no2)c(O)c1	865989194	UESWEVWPGLVTFB-UHFFFAOYSA-N	289.291	1.591	10	20	CDCD	
CCOC[C@@H]1CN(Cc2c(C)cccc2O)CCO1	877655542	BMTHROKDGMZKIF-ZDUSSCGKSA-N	265.353	1.938	10	20	CDCD	
CCOc1ccc(CN(CCOC)[C@H](C)C(N)=O)c(O)c1	769339446	ZJYYDQVKAKTGQF-LLVKDONJSA-N	296.367	1.113	10	20	CDCD	
CCOc1ccc(CN(C)[C@@H]2CCCCNC2=O)c(O)c1	769202549	WJSHDBUPMCGHTJ-CQSZACIVSA-N	292.379	1.891	10	20	CDCD	
Cc1ccc(CN[C@@H](C)[C@@H](C)N2CCOCC2)c(O)c1	877025284	FWUJRPHNVCHCOP-UONOGXRCSA-N	278.396	1.899	10	20	CDCD	
CNC(=O)[C@@H]1CCC[C@@H]1NCc1c(C)cccc1O	877119155	BSHVCVTZCQJGGI-YPMHNXCESA-N	262.353	1.705	10	20	CDCD	
CCO[C@H]1C[C@@](N)(C(=O)N(C)c2ccc(N)cc2)C1(C)C	877077281	BIXKDZXCIICQPK-XJKSGUPXSA-N	291.395	1.764	10	20	CDCD	
C[C@@H](NC(=O)N1CCC[C@H](O)C1)c1ccc(N(C)C)cc1	776242595	AABNCPSTORRGTD-DOMZBBRYSA-N	291.395	1.980	10	20	CDCD	
CCOCC[C@H](NCc1ccc2c(c1)CCO2)C(=O)O	1119615286	JEMDGWSGRGZQKV-ZDUSSCGKSA-N	279.336	1.591	10	20	CDCD	
CC[C@H](CO)C(=O)NCc1ccc(N2CCCC2)cc1	779740419	PDDFMFNLCZRVIF-CQSZACIVSA-N	276.380	1.922	10	20	CDCD	
Cc1ncccc1CC(=O)NCc1ccccc1O	1117357372	LPISSLBKUNFJQE-UHFFFAOYSA-N	256.305	1.955	10	20	CDCD	
CN1CCN(Cc2c(O)ccc(Cl)c2F)[C@H](CO)C1	877644940	WNEMEOCZDXZZLS-VIFPVBQESA-N	288.750	1.293	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NCc1ccccc1CO	779526817	FFLMYEBLMQXKJR-SOFGYWHQSA-N	299.326	1.920	10	20	CDCD	
COC(=O)NCC(=O)N[C@H](C)c1ccc(N(C)C)cc1	772993419	GVHCPVQPHZSNOO-SNVBAGLBSA-N	279.340	1.286	10	20	CDCD	
Cc1cc(O)c(CN2CCn3ncnc3C2)cc1C	770664566	SQVIDGIGLNHANZ-UHFFFAOYSA-N	258.325	1.616	10	20	CDCD	
CCN1C(=O)C(C)(C)N[C@H]1c1cc(C)cc(OC)c1O	887329248	BZFIZZLALVEVMB-CYBMUJFWSA-N	278.352	1.938	10	20	CDCD	
CN(C)c1ccc([C@@H](CNC(N)=O)N(C)C)cc1	899462623	JZSFXIRDMPIVQJ-GFCCVEGCSA-N	250.346	1.024	10	20	CDCD	
CC[C@H]1C(=O)NCCN1Cc1ccc(OC)c(OC)c1O	891923503	NRVNJGNWEBUGTL-NSHDSACASA-N	294.351	1.120	10	20	CDCD	
O=C(NCCC1CCOCC1)c1c(F)ccc(O)c1O	1326472466	KKOJVDHLZSXECO-UHFFFAOYSA-N	283.299	1.783	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N1CC[C@](O)(C2CC2)C1	1320933913	XFPAMIFFCXJFKY-CPCLXONGSA-N	289.331	1.484	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)[C@]1(F)CCOC1	1324089582	XAKWOZVRNJIEJM-HNNXBMFYSA-N	294.326	1.607	10	20	CDCD	
C[C@@H]1C[C@@H](C)CN(S(=O)(=O)NCc2ccccc2O)C1	751150304	AMRDBFFUGTVARH-VXGBXAGGSA-N	298.408	1.705	10	20	CDCD	
C[C@@H]1NCC[C@H]1C(=O)NCc1ccc(N(C)C)cc1	92955702	TZCLZKNGTREQPG-SMDDNHRTSA-N	261.369	1.367	10	20	CDCD	
C[C@]1(CNC(=O)NCc2ccc(N)cc2)CCCO1	1336845341	NRYDILUUOCGRRM-CQSZACIVSA-N	263.341	1.637	10	20	CDCD	
CCON(CC)C(=O)C(=O)N(C)Cc1ccccc1O	1261870800	ZCWGIEQSEKXAPB-UHFFFAOYSA-N	280.324	1.151	10	20	CDCD	
CO[C@@H](C1CC1)[C@@H](C)NC(=O)NCc1ccc(N)cc1	1262582923	JRVJHGFAFZAJAI-QMTHXVAHSA-N	277.368	1.882	10	20	CDCD	
CC(C)(C(=O)NCc1ccc(N)cc1)n1ccc(N)n1	1341922925	HLVWQMOFJGKYHS-UHFFFAOYSA-N	273.340	1.099	10	20	CDCD	
COC[C@H]1CN(C(=O)NCc2ccc(N)cc2)C[C@@H](C)O1	1346739057	MHBMIJSAQWROJX-BXUZGUMPSA-N	293.367	1.214	10	20	CDCD	
CO[C@@H]1CCC[C@H](C(=O)NCc2cccc(O)c2O)C1	1528771755	XBLBHWRCWZIRGB-CMPLNLGQSA-N	279.336	1.919	10	20	CDCD	
C[C@@H](CC(=O)O)NCc1cc2c(cc1O)OCO2	1603133239	LOLPHARNTUETTO-ZETCQYMHSA-N	253.254	1.074	10	20	CDCD	
CC[C@@H](N[C@H]1CCN(c2ccc(OC)cc2)C1)C(=O)O	1595284152	PZYWTEABPCSITE-SMDDNHRTSA-N	278.352	1.727	10	20	CDCD	
C[C@@H](CNCc1ccc(N2CC[C@@H](O)C2)cc1)CC(=O)O	1776425359	QFFPJIMAQHAWDF-IUODEOHRSA-N	292.379	1.458	10	20	CDCD	
CCN(CCO)C(=O)NCCCSc1nccs1	154584860	BBJKBLZDVQUNEK-UHFFFAOYSA-N	289.426	1.649	10	20	CDCD	
O=S1(=O)CC[C@@H](CNCc2ccc3c(c2)CCCO3)C1	921500630	FPNBHNGHYMHTQJ-ZDUSSCGKSA-N	295.404	1.536	10	20	CDCD	
COc1ccc(CNCCO[C@H]2CCOC2)cc1C	922938224	BDDXKCWVZGBJIA-AWEZNQCLSA-N	265.353	1.899	10	20	CDCD	
CCC[C@@](C)(NC(=O)Cc1ccc(N)cc1)C(=O)OC	236956821	JNKYEPIOEWAXDC-OAHLLOKOSA-N	278.352	1.659	10	20	CDCD	
C[C@@H](O)CC(C)(C)CNC(=O)Cc1ccc(N)cc1	160947616	XFXYVERHFBMZHO-LLVKDONJSA-N	264.369	1.725	10	20	CDCD	
COc1cc(Cl)cc(CN(C)CC(=O)N(C)C)c1O	184674846	SQMMIXHEEKOMKK-UHFFFAOYSA-N	286.759	1.574	10	20	CDCD	
COc1ccc(O)c(CN[C@@H]2CCS(=O)(=O)[C@@H]2C)c1	311825367	FJPIMNCESKPBHD-BXKDBHETSA-N	285.365	1.066	10	20	CDCD	
Cc1ccc(O)c(CN2CCN([C@@H]3CCNC3)CC2)c1	312992907	SQJCNPGZYHKJNR-OAHLLOKOSA-N	275.396	1.180	10	20	CDCD	
C[C@@](O)(CNCc1cc2c(cc1O)OCO2)C1CC1	389082723	LRDJNFSZHBRBHG-CQSZACIVSA-N	265.309	1.372	10	20	CDCD	
CC[C@@H](CO)NC(=O)NCc1ccc2c(c1)CCCN2C	57660733	VDGUATARILYHEA-AWEZNQCLSA-N	291.395	1.639	10	20	CDCD	
CC1(NC(=O)c2cccc(O)c2O)CCOCC1	126553725	PTOZAILEYYWGCW-UHFFFAOYSA-N	251.282	1.397	10	20	CDCD	
Nc1ccc(CN2CC[C@@H]3NC(=O)CC[C@@H]3C2)cc1	128859389	OFNRAKGYBGJDNA-OCCSQVGLSA-N	259.353	1.369	10	20	CDCD	
Cc1cccc(CN2CCN(C[C@H]3CCOC3)CC2)c1O	180578645	TTWKKMVDVDXQRG-OAHLLOKOSA-N	290.407	1.855	10	20	CDCD	
Cc1cc(NS(=O)(=O)c2ccnn2C)ccc1O	128209545	YRTMQKGSHXIYSU-UHFFFAOYSA-N	267.310	1.235	10	20	CDCD	
CC(C)(O)[C@H]1CCCN1C(=O)/C=C/c1ccc(O)c(O)c1	181237917	NHGJQGACPLDQEV-IZPAUZPXSA-N	291.347	1.873	10	20	CDCD	
COc1ccc(O)c(CNC(=O)NCC2(OC)CCC2)c1	181581130	XETJCKHXKHXSMS-UHFFFAOYSA-N	294.351	1.769	10	20	CDCD	
CN(C)c1ccc(CNC(=O)C2CC(=O)C2)cc1F	136728360	CQYBSMPAYBVBOI-UHFFFAOYSA-N	264.300	1.487	10	20	CDCD	
C[C@H](N[C@H](C)c1ccc(F)cc1O)C(=O)N(C)C	62745931	HXWFWYVFNGHKTM-BDAKNGLRSA-N	254.305	1.659	10	20	CDCD	
CN(C)c1ccc(CNC(=O)C[C@@H]2CCNC2)cc1F	130585225	DEKAHJHWKCNCFF-LBPRGKRZSA-N	279.359	1.508	10	20	CDCD	
CC(C)(CN)C(=O)NCc1ccc(N2CCOCC2)cc1	236616308	VWYQNFGAQUMRSD-UHFFFAOYSA-N	291.395	1.124	10	20	CDCD	
CCOc1ccc(O)c(CN2CC[C@@H](CC(N)=O)C2)c1	367704028	ONHNPHLXBFGANZ-NSHDSACASA-N	278.352	1.488	10	20	CDCD	
Cc1cccc(CN[C@@H](C)C(=O)NCCF)c1O	282820398	UDWNUFHBVVONKE-JTQLQIEISA-N	254.305	1.264	10	20	CDCD	
C[C@H](C(=O)N1CCOc2cc(N(C)C)ccc21)N(C)C	635627880	DLKMFQKCZXELTN-LLVKDONJSA-N	277.368	1.428	10	20	CDCD	
OC[C@]1(F)CCN(Cc2c(O)cccc2Cl)C1	802660934	ZWPISTNGVMQBGP-LBPRGKRZSA-N	259.708	1.952	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CCOCC(F)(F)C1	292312672	WFDXYZQTEVAPIE-DUXPYHPUSA-N	299.273	1.605	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN(C)[C@H]2CCCOC2)c1O	809692669	CQXXXUTXJHXCCF-NSHDSACASA-N	296.323	1.920	10	20	CDCD	
CCC[C@H](OC)C(=O)NCc1cccc(OC)c1O	294775869	CGNFKPINLMUYSB-LBPRGKRZSA-N	267.325	1.832	10	20	CDCD	
CCNc1ccc(C(=O)OCC(=O)C(C)=O)cc1[N+](=O)[O-]	808488563	IYMILOXEZBXFDJ-UHFFFAOYSA-N	294.263	1.342	10	20	CDCD	
COc1ccc(N2CC[C@@H](CNC(=O)[C@H](C)O)C2)cc1	819587512	ZZVXWJLKUKXHTI-RYUDHWBXSA-N	278.352	1.019	10	20	CDCD	
CCN(CC)c1ccc(CN(C)C(=O)[C@H]2CC(=O)N2)cc1	819974963	WMZPRTKXXSBAES-CQSZACIVSA-N	289.379	1.380	10	20	CDCD	
CC(C)[C@H](NC=O)C(=O)N[C@H](C)c1ccccc1O	827955687	CJVUEVOXHIWFBP-MFKMUULPSA-N	264.325	1.340	10	20	CDCD	
COc1cccc(CNC(=O)[C@H]2CCCC(=O)N2C)c1O	907060822	PJJRPHBOJNWRGJ-LLVKDONJSA-N	292.335	1.028	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)NC1(C(=O)O)CCCC1	821369644	XIPWIWWDIQBLST-XQRVVYSFSA-N	291.303	1.625	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N(C)[C@@H](C)C(=O)O	909043235	OWEYAAYWIRAZQS-NSHDSACASA-N	293.367	1.676	10	20	CDCD	
COc1ccc(N2CC[C@@H](CNC(=O)CCO)C2)cc1	902947394	JYRVWAHAODAHMZ-LBPRGKRZSA-N	278.352	1.020	10	20	CDCD	
COc1ccc(CNC(=O)[C@H]2CCN[C@@H]2C)c(O)c1	832178654	VEIGVYKUZZLSFC-SKDRFNHKSA-N	264.325	1.015	10	20	CDCD	
CC(C)[C@H](NC(=O)c1cc(O)cs1)C(C)(C)O	834335610	TYDKUSUJXSLULI-JTQLQIEISA-N	257.355	1.979	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCC2(CCNC2=O)CC1	831775653	STUQOZYRZRRVOB-UHFFFAOYSA-N	280.349	1.196	10	20	CDCD	
CCOC1(C(=O)N(C)Cc2ccccc2O)CCOCC1	830141782	YKMJYPYPMDXGEN-UHFFFAOYSA-N	293.363	1.936	10	20	CDCD	
CCN(C)c1ccc(CN2CCC[C@@H]2C(=O)NC)cc1	741754086	IHLOAIAQAVVNFN-OAHLLOKOSA-N	275.396	1.853	10	20	CDCD	
CCn1ccnc1CNC[C@H](N)c1ccc(N(C)C)cc1	841041123	ADCVCIYJBHEBJD-HNNXBMFYSA-N	287.411	1.759	10	20	CDCD	
CCOC1(C(=O)NCc2ccc(N)cc2)CCOCC1	853302170	CDABPRBSUNCHHU-UHFFFAOYSA-N	278.352	1.471	10	20	CDCD	
CNC[C@H](C)NCc1cc(Br)ccc1O	853249657	SPHVMPIFKRSVLB-QMMMGPOBSA-N	273.174	1.852	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1cccnc1	763279034	HQUHBZCRCOLLIL-LLVKDONJSA-N	286.331	1.783	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[C@@H](CCO)C1	779534473	GIDFXAXNXOUNPW-BPJJOFIESA-N	291.347	1.732	10	20	CDCD	
COc1ccc(O)c(CN2CCSC[C@@H]2CO)c1	877779587	CPUALTLTEHPQHR-NSHDSACASA-N	269.366	1.311	10	20	CDCD	
CCN(CC)c1ccc(CN[C@H](CO)C(=O)O)cc1F	1119549514	KZHOPXKRGDNDEB-GFCCVEGCSA-N	284.331	1.207	10	20	CDCD	
C[C@@H](NC[C@@H](O)CN(C)C1CC1)c1ccccc1O	879649314	NBWVFDBILBHYKX-DGCLKSJQSA-N	264.369	1.498	10	20	CDCD	
Cc1nn(C)c(Cl)c1C(=O)NCc1ccc(O)c(O)c1	771815704	QQZLXXIAGZUYRE-UHFFFAOYSA-N	295.726	1.723	10	20	CDCD	
COc1ccc(CN[C@@H](CO)CCF)c(O)c1OC	895177099	FLBXXMDWSCRXNM-SNVBAGLBSA-N	273.304	1.220	10	20	CDCD	
CON(C)C(=O)CNCc1cc(C)c(C)cc1O	895041453	UMIOJRZYXBSTBS-UHFFFAOYSA-N	252.314	1.118	10	20	CDCD	
CCOc1ccc(CN2[C@H](C)C(=O)N[C@H](C)[C@H]2C)c(O)c1	895113671	JTMZYKJCHXJYDT-IJLUTSLNSA-N	292.379	1.888	10	20	CDCD	
COc1ccc(CNC2(CO)CCC2)c(O)c1OC	893314493	VTUSNLWCOZFFLE-UHFFFAOYSA-N	267.325	1.414	10	20	CDCD	
COc1ccc(N(C)CCN(C)c2cc(O)ncn2)cc1	894388874	JZAGYSCKCWPXEW-UHFFFAOYSA-N	288.351	1.763	10	20	CDCD	
CC[C@H](CCO)NC(=O)c1c(F)ccc(O)c1O	790074061	AEMROGVIMBBIBK-SSDOTTSWSA-N	257.261	1.128	10	20	CDCD	
CON(C)C(=O)CNCc1cc(Cl)c(F)cc1O	895046399	JYNLYCXUMOAIHZ-UHFFFAOYSA-N	276.695	1.294	10	20	CDCD	
CCOCCOC[C@@H](O)CN[C@@H](C)c1cc(C)ccc1O	790757957	ALORFRWRJKTBKX-KBPBESRZSA-N	297.395	1.765	10	20	CDCD	
CC(C)NCCC(=O)N(C)Cc1ccccc1O	37823786	XKAFCPNRMFOPOP-UHFFFAOYSA-N	250.342	1.739	10	20	CDCD	
CNC[C@H](C)CN[C@@H](C)c1cc(C(=O)OC)ccc1O	1326473278	IIUIGSHALRADPL-QWRGUYRKSA-N	280.368	1.685	10	20	CDCD	
Cc1ccc(O)c([C@H](C)NC[C@@]2(O)CCN(C)C2)c1	702638385	YGSQJPZWHCTZDJ-WFASDCNBSA-N	264.369	1.418	10	20	CDCD	
Cn1cccc(NC(=O)c2cccc(O)c2O)c1=O	187089074	VJKFDNOQRMLJNM-UHFFFAOYSA-N	260.249	1.049	10	20	CDCD	
O=C(O)[C@H](C[C@@H]1CCCO1)NCc1ccc2c(c1)CCO2	1332017921	VGLVLOQAALDSTF-KBPBESRZSA-N	291.347	1.733	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N1CCSC[C@@H]1CO	1335848214	WXLWDSAPTLWIKA-MORRKMRCSA-N	295.360	1.047	10	20	CDCD	
CCOC(=O)[C@@H](NC(=O)Cc1ccc(N)cc1)C1CC1	1261494168	HMRDBIQLYJVJRL-AWEZNQCLSA-N	276.336	1.269	10	20	CDCD	
Cc1ccc(CN[C@H](C)C(=O)NCC(F)(F)F)c(O)c1	1262008403	LFXAGJALBHVLAH-SECBINFHSA-N	290.285	1.857	10	20	CDCD	
CCCN1CCC[C@@H](C(=O)NCc2cccc(O)c2O)C1	1528781208	LHWJMJGHKPNZPM-CYBMUJFWSA-N	292.379	1.836	10	20	CDCD	
Cc1ccc(CN2CCO[C@@]3(CCNC3)C2)c(O)c1	1579691837	JGEQAHQZWSITSW-OAHLLOKOSA-N	262.353	1.265	10	20	CDCD	
CO[C@@]1(C(=O)O)CCN(Cc2cccc(Cl)c2O)C1	1599078241	AZSHLUHTNJLERS-ZDUSSCGKSA-N	285.727	1.721	10	20	CDCD	
C[C@H](CNCc1ccc(N2CC[C@H](O)C2)cc1)CC(=O)O	1776425362	QFFPJIMAQHAWDF-WFASDCNBSA-N	292.379	1.458	10	20	CDCD	
CCO[C@@H](C)C(=O)NCCc1ccc(O)c(O)c1	156596310	NQDOMXFFUIKGPN-VIFPVBQESA-N	253.298	1.182	10	20	CDCD	
O=C(O)[C@H]1C[C@H]2CC[C@H]1N2C(=O)c1cccc(O)c1O	253094389	NKCORSRTXDVUGN-FKTZTGRPSA-N	277.276	1.176	10	20	CDCD	
Cc1cccc(CN2CCC[C@H](S(C)(=O)=O)C2)c1O	274128635	OPBSTEWRVJVGGE-ZDUSSCGKSA-N	283.393	1.710	10	20	CDCD	
C[C@H](NCC(=O)NCC(F)F)c1ccc(F)cc1O	281026038	ZVQHKVPRDQGCFX-ZETCQYMHSA-N	276.258	1.563	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)CNC(=O)C(C)(C)C	48606745	VZMXZYNTEFICLD-UHFFFAOYSA-N	278.352	1.513	10	20	CDCD	
Oc1c(Cl)cccc1CNCCCn1cncn1	382036083	TVGHNHBUTVFMGG-UHFFFAOYSA-N	266.732	1.817	10	20	CDCD	
CCC1(NC(=O)Cc2ccc(N)cc2)CCOCC1	389281769	AYXVHAIIGDIDEF-UHFFFAOYSA-N	262.353	1.887	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)Nc1cnn(C)c1	124492354	ODEQLRTZVZPDKN-UHFFFAOYSA-N	260.297	1.790	10	20	CDCD	
Oc1c(Br)cccc1CN[C@@H]1CC[C@H]1O	378720208	FPRRFCSMHCAADU-NXEZZACHSA-N	272.142	1.768	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H]1CCCC[C@H]1O	180806422	PJBYCXMRYJUQJN-FRNKVXGRSA-N	291.347	1.778	10	20	CDCD	
CN(C)C[C@](C)(O)CNCc1c(O)cccc1Cl	131443939	PAHABKWAIUXAIW-CYBMUJFWSA-N	272.776	1.448	10	20	CDCD	
CCN(CCOCCO)c1ccc(OC)c(OC)c1	265818304	RIXRHZOCQUNLDV-UHFFFAOYSA-N	269.341	1.539	10	20	CDCD	
CC(C)CN1C(=O)/C(=C\NC2CCCC2)C(=O)NC1=S	48403045	CHLRCTHTUCTTKR-XFFZJAGNSA-N	295.408	1.302	10	20	CDCD	
CCC(=O)N1CCN(c2ccc(OC)cc2OC)CC1	243261481	KTIAPSKVBIPMSK-UHFFFAOYSA-N	278.352	1.762	10	20	CDCD	
COC[C@H]1CN(Cc2cc(OC)c(C)cc2O)C[C@H](C)O1	249942078	TUXZBNYGCUEIED-GXTWGEPZSA-N	295.379	1.945	10	20	CDCD	
CC[C@H](O)CCNC(=O)NCc1ccc(N(C)C)cc1	268591498	FYPAYJHDPXUNHK-AWEZNQCLSA-N	279.384	1.713	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN(C)C[C@@H]2CCOC2)c1O	278197607	IQTFIQGNEQHZHM-JTQLQIEISA-N	296.323	1.777	10	20	CDCD	
COC(=O)[C@H]1COCCN1Cc1cccc(Cl)c1O	271707954	GEJGEXFUPABHPN-LLVKDONJSA-N	285.727	1.419	10	20	CDCD	
C[C@@H](NCC1(C)COC1)c1cc([N+](=O)[O-])ccc1O	273582545	NBGLQIDCAAEVAV-SECBINFHSA-N	266.297	1.988	10	20	CDCD	
Cc1ccc([C@H](C)NC[C@]2(O)CCOC2)c(O)c1C	273524596	UYCICBBZPFLJTO-SWLSCSKDSA-N	265.353	1.811	10	20	CDCD	
CNC(=O)[C@H](C)CN(C)Cc1ccc(N(C)C)c(F)c1	271216716	NIRGQSPPMKODKD-LLVKDONJSA-N	281.375	1.706	10	20	CDCD	
OCCO[C@@H]1CCCN(Cc2cc3c(cc2O)OCO3)C1	271213442	ZEQITEACSFDSCD-GFCCVEGCSA-N	295.335	1.094	10	20	CDCD	
COC[C@@H]1CN(Cc2ccc(N(C)C)c(F)c2)CCO1	271154922	AUBPGKYMNWZLSE-ZDUSSCGKSA-N	282.359	1.739	10	20	CDCD	
CCCCN(Cc1ccccc1O)C(=O)[C@@H]1CCC(=O)N1	282491709	MQWXXVQPAYZQRY-ZDUSSCGKSA-N	290.363	1.800	10	20	CDCD	
C[C@H](NC(=O)NCCc1ccc(O)c(O)c1)C(F)(F)F	288703207	CYFWGHAWAOMHFU-ZETCQYMHSA-N	292.257	1.890	10	20	CDCD	
COc1cccc(CNC(=O)C[C@@H]2CCCC(=O)N2)c1O	289500110	CGEWGZSQFRFAFN-NSHDSACASA-N	292.335	1.076	10	20	CDCD	
CCCN(C)C(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	807673474	UDNYELLRLHREJL-GFCCVEGCSA-N	291.395	1.798	10	20	CDCD	
CC(=O)C(=O)COC(=O)COc1c(C)cccc1C	808489919	IUHZGOWHCAHQSW-UHFFFAOYSA-N	264.277	1.384	10	20	CDCD	
CC(=O)C1(C(=O)NCCc2ccc(O)c(O)c2)CC1	293766056	SFPJNQZZOACIJK-UHFFFAOYSA-N	263.293	1.126	10	20	CDCD	
C[C@@H]1C[C@@H](C)[C@H](C(=O)NCCc2ccc(N)cc2)O1	818545180	NEPHWVOEEIHMKM-JTNHKYCSSA-N	262.353	1.741	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N2CCO[C@H]3C[C@H]32)cc1	813560724	LDODGNSFGVYTIF-KGLIPLIRSA-N	275.352	1.435	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NCCCC(=O)O)cc1F	818391026	SPVNVEUUJUJKFG-UHFFFAOYSA-N	297.330	1.556	10	20	CDCD	
CCN(C(=O)/C=C/c1cnc(OC)nc1)c1ccncc1	492685581	YFDKAPDFKCPHLJ-SNAWJCMRSA-N	284.319	1.947	10	20	CDCD	
Cc1nc(CC(=O)NCc2ccc3c(c2)CCCN3C)n[nH]1	824676887	VIKTXDLRTCOLRR-UHFFFAOYSA-N	299.378	1.354	10	20	CDCD	
CN1CC[C@@H](NCc2ccc(N(C)C)c(F)c2)C1	733327250	QOTCCYLKWIWBIV-GFCCVEGCSA-N	251.349	1.685	10	20	CDCD	
C[C@@H](N(C)C(=O)/C=C/c1ccc(O)c(O)c1)C(C)(C)O	836811862	OANGZQPLMKTYMN-QEHWCHDUSA-N	279.336	1.729	10	20	CDCD	
CCn1ccnc1[C@@H](C)NC(=O)c1c(F)ccc(O)c1O	839785783	JBTNXLLWBCIQGU-MRVPVSSYSA-N	293.298	1.944	10	20	CDCD	
CCN(CC)CCOCCNC(=O)c1cc(O)cs1	832137312	IRFTZIZOSQXPEP-UHFFFAOYSA-N	286.397	1.542	10	20	CDCD	
Oc1cccc2c1[C@@H](NC[C@@H](O)COCC1CC1)CC2	834552200	XOVVRHPRTVVZHK-KGLIPLIRSA-N	277.364	1.757	10	20	CDCD	
CCC[C@H](OCC)C(=O)NCc1ccc(O)cc1O	910944611	VDPANJZDFJMUSV-ZDUSSCGKSA-N	267.325	1.919	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@]1(O)CCOC1	840292922	SSQGGPXXGWODNE-MRXNPFEDSA-N	292.379	1.253	10	20	CDCD	
CCN1C(=O)/C(=C/c2nn(CC)nc2C)SC1=S	840729215	MNSKJIWBFDTEHN-TWGQIWQCSA-N	282.394	1.828	10	20	CDCD	
C[C@H](NC(=O)NCCc1ccc(N)cc1)c1ccn(C)n1	841915010	CUYYKNGGYNQXKU-NSHDSACASA-N	287.367	1.605	10	20	CDCD	
O=S(=O)(NCc1cc(Cl)ccc1O)[C@H]1CCOC1	845998711	QPQSIDQHTXFMSI-JTQLQIEISA-N	291.756	1.254	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@H](C)C[C@@H](C)N)c1O	843129944	VBENRVGXXFJTRZ-RKDXNWHRSA-N	283.328	1.524	10	20	CDCD	
CCc1cccc(CN(C)CCNC(=O)N(C)C)c1O	848901397	ZGXIBVUFISLWIR-UHFFFAOYSA-N	279.384	1.658	10	20	CDCD	
COCCNC(=O)C1(N[C@@H](C)c2ccc(F)cc2O)CC1	840822672	NVWGIWIEJZEBSC-JTQLQIEISA-N	296.342	1.477	10	20	CDCD	
COc1cc(O)c(CN2CC[C@@](C)(CN)C2)cc1OC	843117963	XIZRSRRCPIYVFK-HNNXBMFYSA-N	280.368	1.580	10	20	CDCD	
C[C@H](N)[C@@H]1CCN(Cc2ccc(N3CCOCC3)cc2)C1	843058707	WVENNANUNGTFAJ-GOEBONIOSA-N	289.423	1.692	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CCC[C@H]3CNC[C@H]32)c1O	842472861	RILZOXBAYNKIHH-XHDPSFHLSA-N	292.354	1.918	10	20	CDCD	
C[C@H](N)CNC(=O)NCc1c(O)ccc2c1CCCC2	841987705	NSTYFKIPJBNUKQ-JTQLQIEISA-N	277.368	1.417	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](CN)C1CC1	841947068	MTJYOSYSJHBZEY-HNNXBMFYSA-N	290.411	1.631	10	20	CDCD	
Cn1ccnc1[C@H]1CNCCN1Cc1ccccc1O	843121293	CDHICCPZGCREQZ-CYBMUJFWSA-N	272.352	1.272	10	20	CDCD	
CC(=O)N[C@@H](C)C(=O)NCc1ccc2c(c1)CCCN2C	746809436	ZKYOKMNFUPQWKD-NSHDSACASA-N	289.379	1.210	10	20	CDCD	
CC(C)(CO)C(=O)NCc1ccc(N2CCCC2)cc1	847338054	DFQPRPYYIXPMIR-UHFFFAOYSA-N	276.380	1.922	10	20	CDCD	
COC(=O)c1coc(COC(=O)c2cccc(O)c2O)c1	758548868	WOQYLQIPZHKBDA-UHFFFAOYSA-N	292.243	1.834	10	20	CDCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@H](O)C1CC1	854949923	ZNIQUNHNUIDQJY-MLGOLLRUSA-N	290.407	1.879	10	20	CDCD	
CONC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	920872916	YBJGMBPWLYHDTN-NSHDSACASA-N	279.340	1.445	10	20	CDCD	
O=C(c1cc(O)cs1)N1CC[C@@H](c2nc[nH]n2)C1	854987572	RUBWPIVDKBMSEF-SSDOTTSWSA-N	264.310	1.202	10	20	CDCD	
C[C@@H](N[C@H]1CCN(C)C1)c1cc([N+](=O)[O-])ccc1O	756533470	HVZLCUYOEFBEPI-ZJUUUORDSA-N	265.313	1.655	10	20	CDCD	
C[C@H](N[C@H](C)C(=O)N(C)C)c1cc([N+](=O)[O-])ccc1O	756739442	MZMMILWXDGWOOZ-DTWKUNHWSA-N	281.312	1.428	10	20	CDCD	
CC(C)CCNC(=O)[C@@H](C)OC(=O)c1cccc(O)c1O	758574004	XXXZGELTNZURCX-SNVBAGLBSA-N	295.335	1.805	10	20	CDCD	
COc1ccc(N2CCC(NCCN(C)OC)CC2)cc1	850480483	RUNBDVPVPNTWSR-UHFFFAOYSA-N	293.411	1.747	10	20	CDCD	
CN(C)c1cc(F)c(CNC2(C(N)=O)CC2)cc1F	862324601	QDGZZCJNUNIOCY-UHFFFAOYSA-N	269.295	1.138	10	20	CDCD	
CC[C@@H](C)N(CCO)Cc1cccc(OC)c1O	862386727	ATMCFNSZUYXVBO-LLVKDONJSA-N	253.342	1.994	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN(C)[C@]1(CO)CCOC1	862427731	DTHJZBDGQHSXGH-INIZCTEOSA-N	278.396	1.644	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@@H]2CCc3n[nH]cc3C2)c1	862757642	ARWBXUHOCFNCSD-LLVKDONJSA-N	285.347	1.845	10	20	CDCD	
Cc1ccc(CNC[C@H]2CN3CCC[C@@H]3CO2)c(O)c1	877021589	GRVQEPWCIOAOKF-CABCVRRESA-N	276.380	1.653	10	20	CDCD	
COCCOc1ccccc1NC[C@H](O)CN1CCCC1	863556426	ROVLEGHVGKBTIH-AWEZNQCLSA-N	294.395	1.580	10	20	CDCD	
CO[C@]1(CNC(=O)/C=C/c2ccc(O)c(O)c2)CCOC1	764452213	DLLUPMRRCRASIC-UJAVWCLSSA-N	293.319	1.033	10	20	CDCD	
O=Cc1ccc(-c2ccc3c(c2)=S=C(C(=O)O)C=3)o1	874971670	RKFPJDPMFPEKTR-UHFFFAOYSA-N	272.281	1.794	10	20	CDCD	
C[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1ncon1	779540945	UUYTZWXMXJBVNI-QIUOEGRZSA-N	275.264	1.371	10	20	CDCD	
CCCNC(=O)NC(=O)CN[C@H](C)c1ccccc1O	879647685	IGUONRSQIJULPQ-SNVBAGLBSA-N	279.340	1.279	10	20	CDCD	
Cc1ccc(C(=O)Nc2c(C)nc(O)nc2O)c(O)c1O	778964640	UFUPKCKHWKFORM-UHFFFAOYSA-N	291.263	1.168	10	20	CDCD	
COc1ccc(O)c(CNC[C@@H](CO)Cc2ccco2)c1	776249074	SCBBUNJDVAYSAO-LBPRGKRZSA-N	291.347	1.935	10	20	CDCD	
C[C@H](NC[C@@H](O)CN1CCCC1)c1ccccc1O	775131787	VXPYAWJOHRIJGO-QWHCGFSZSA-N	264.369	1.500	10	20	CDCD	
Cn1nnc2c1CC[C@H](NCc1cc(F)cc(F)c1O)C2	883162076	JKFYCNSPUCGRPH-JTQLQIEISA-N	294.305	1.446	10	20	CDCD	
CCC[C@](C)(O)C(=O)OCC(=O)c1ccc(O)c(O)c1	784280040	AUMUFMOJAHWDMW-AWEZNQCLSA-N	282.292	1.375	10	20	CDCD	
Cc1ccc(C(=O)N2CCC[C@@H](CCO)C2)c(O)c1O	780982877	CNOUNXROIZMQHK-NSHDSACASA-N	279.336	1.641	10	20	CDCD	
CCOc1cccc(CN2CC[C@H](C3OCCO3)C2)c1O	896383839	FNKCPQDKMWISRB-ZDUSSCGKSA-N	293.363	1.986	10	20	CDCD	
COc1cc(C)cc(CN(C)[C@@H](C)CCO)c1O	895149511	JKRGMOPMLGUBFY-NSHDSACASA-N	253.342	1.912	10	20	CDCD	
COc1cc(O)c(CNC[C@H]2CC(C)=NO2)cc1OC	895306802	KEDNJPRLILSKGQ-LLVKDONJSA-N	280.324	1.664	10	20	CDCD	
CCOc1ccc(CN(CC)[C@H]2CCNC2=O)c(O)c1	799737394	CXSPTUWDMFUAIU-ZDUSSCGKSA-N	278.352	1.501	10	20	CDCD	
COC[C@@H](CO)NCc1cc(Cl)cc([N+](=O)[O-])c1O	793324683	KKVWUYZDGRXUTF-SECBINFHSA-N	290.703	1.051	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)CC(C)(C)O	792177211	DPCNMXCMHUSYBE-UHFFFAOYSA-N	264.369	1.838	10	20	CDCD	
CNC[C@H](C)CNC(=O)N(C)Cc1ccc(N(C)C)cc1	1325324226	NDRHIDMSYAJGER-ZDUSSCGKSA-N	292.427	1.750	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)CO[C@H]1CCOC1	1323512919	WCDMDYWQNITOHX-LBPRGKRZSA-N	265.309	1.156	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NCCC(=O)NC(C)C)c1	1329140501	KSSWIQYBMIPUIU-UHFFFAOYSA-N	293.367	1.415	10	20	CDCD	
CN(C)C1CCC(NC(=O)c2cccc(O)c2O)CC1	715579145	NQHBESPDRYXDTC-UHFFFAOYSA-N	278.352	1.700	10	20	CDCD	
CC[C@H](NCc1nnnn1C1CC1)c1ccccc1O	775414937	LZNRNUFFIAOWSA-LBPRGKRZSA-N	273.340	1.955	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCCON	1262599029	MEJPULXXKBPDDJ-UHFFFAOYSA-N	294.399	1.565	10	20	CDCD	
COC(=O)COc1ccc(N(C)CC(=O)OC(C)C)cc1	1342229282	PZCKOFCOBVPXLT-UHFFFAOYSA-N	295.335	1.626	10	20	CDCD	
CN1CCN(c2ccc(CNC(=O)[C@H]3C[C@@H]3F)cc2)CC1	1528572922	XHFSDOHSUYAZII-GJZGRUSLSA-N	291.370	1.413	10	20	CDCD	
CON(C(=O)/C=C/c1ccc(O)c(O)c1)[C@H](C)CC(=O)O	1606986026	YVQUOYXNOXSNRT-OTQAPUNGSA-N	295.291	1.364	10	20	CDCD	
O=C(O)CCCCCNC(=O)Cc1ccc(O)c(O)c1	1595035601	OHZLMVFHKBHYCJ-UHFFFAOYSA-N	281.308	1.402	10	20	CDCD	
CCOc1cccc(CN2C[C@@H](O)C[C@@H](C(=O)O)C2)c1O	1597155878	VKZYPWQQDVSWEJ-NEPJUHHUSA-N	295.335	1.058	10	20	CDCD	
COCC[C@H](C)CNC(=O)c1cccc(O)c1O	839811521	QJQSKBDIEPDWSO-VIFPVBQESA-N	253.298	1.500	10	20	CDCD	
C[C@H](N[C@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1O	272930052	ZJUJCYZZLKMJMG-RYUDHWBXSA-N	298.408	1.467	10	20	CDCD	
COc1ccc(O)c(CN2C[C@H](C)S(=O)(=O)[C@H](C)C2)c1	290814595	GJSXWUYSCZAMSU-PHIMTYICSA-N	299.392	1.408	10	20	CDCD	
O=C(NCc1ccc(N2CCOCC2)cc1)c1cnccn1	54285143	BTAUEDOCHCYLJE-UHFFFAOYSA-N	298.346	1.243	10	20	CDCD	
CN(Cc1cc2c(cc1O)OCO2)[C@@H]1CCOC1	106857953	OBCLBZROEQRQCR-SNVBAGLBSA-N	251.282	1.342	10	20	CDCD	
C[C@H](C(=O)NCc1ccc(N(C)C)c(F)c1)n1cncn1	69914206	DGSJOFXQHLNQFZ-SNVBAGLBSA-N	291.330	1.361	10	20	CDCD	
CN1CCC(NCc2ccc(N3CCOCC3)cc2)CC1	37248587	SMTLHQJNPAOEFK-UHFFFAOYSA-N	289.423	1.707	10	20	CDCD	
O=C(N[C@@H]1CCN(c2ccccn2)C1)c1cccc(O)c1O	185886114	ICPQKWABXIRCNL-LLVKDONJSA-N	299.330	1.502	10	20	CDCD	
CSC[C@H](C)C(=O)NCCc1ccc(O)c(O)c1	156708569	ARMYHGYAJDUJGN-VIFPVBQESA-N	269.366	1.756	10	20	CDCD	
CC[C@@H](N[C@@H](C)c1ccccc1O)C(=O)N1CCOCC1	183547623	FTHRPIQNRPSJDJ-GXTWGEPZSA-N	292.379	1.680	10	20	CDCD	
COc1ccc(O)c(CN2CCN[C@H](C)[C@@H]2C)c1	379448398	ZLMIFOCOXCFHPZ-MNOVXSKESA-N	250.342	1.583	10	20	CDCD	
C[C@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)N(C)C1CC1	181029817	YSDMKGYLYUXTBF-SOZJPDODSA-N	290.363	1.710	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NCCCCO)cc1	192564643	BNHFRNBOGLMGGY-UHFFFAOYSA-N	265.357	1.324	10	20	CDCD	
CCS(=O)(=O)C[C@@H](C)N(C)Cc1ccccc1O	179575378	STURPCRPMRHOHM-LLVKDONJSA-N	271.382	1.647	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CC[C@@H](N)C1	237151169	GAPDWDNRWYGZJS-VXGBXAGGSA-N	289.379	1.605	10	20	CDCD	
Nc1ccc(CN2CC[C@H]3NC(=O)CC[C@H]3C2)cc1	250252329	OFNRAKGYBGJDNA-GXTWGEPZSA-N	259.353	1.369	10	20	CDCD	
CCOCc1cc(CN[C@@H]2CC(=O)N(C)C2)ccc1OC	263789273	XMTNDIBJDSGRIV-CQSZACIVSA-N	292.379	1.552	10	20	CDCD	
COC(=O)[C@@H](NCc1cc(OC)c(OC)cc1O)C1CC1	276459036	LBKFXBYBQNTPGD-AWEZNQCLSA-N	295.335	1.451	10	20	CDCD	
CCN(Cc1nc(=O)[nH][nH]1)c1ccc(OC)c(OC)c1	271613627	KZSNVHIKSGOVJL-UHFFFAOYSA-N	278.312	1.142	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN(CCO)C(C)C)c1O	278139926	AQSPBTFFJSJVBS-UHFFFAOYSA-N	284.312	1.512	10	20	CDCD	
Cc1ccc(C(=O)NCC2(C)CCN(C)CC2)c(O)c1O	273029116	SLYYYYHVLSMXMF-UHFFFAOYSA-N	292.379	1.868	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)NCC(=O)NC(C)C)c1	273438499	XTUMRDDDUSUCQG-SNVBAGLBSA-N	294.351	1.354	10	20	CDCD	
CC(C)Oc1ccc(N(C)CCN2CCNC2=O)cc1	289169409	FEVLTIGDSLYUPI-UHFFFAOYSA-N	277.368	1.935	10	20	CDCD	
CCN(C)c1ccc([C@@H](C)N[C@@H](CO)COC)cc1	281000306	NODALVIACUYEJO-OCCSQVGLSA-N	266.385	1.801	10	20	CDCD	
CCc1noc(NC(=O)NCc2cccc(OC)c2O)n1	296925997	XRJLQQPVQRCBOE-UHFFFAOYSA-N	292.295	1.668	10	20	CDCD	
CCN(CCO)C(=O)NCc1ccc2c(c1)CCCN2C	299426607	LTNPSRDWOFPIES-UHFFFAOYSA-N	291.395	1.593	10	20	CDCD	
CN(C)c1ccc(CNC(=O)C2(O)CCCC2)cc1F	299468640	URJCFQFXHSZOKS-UHFFFAOYSA-N	280.343	1.813	10	20	CDCD	
CCN(C)C(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1	297771850	IEKQMWGFVDSBCB-UHFFFAOYSA-N	277.368	1.189	10	20	CDCD	
CC(C)[C@H](C(=O)OCC(=O)c1ccc(O)c(O)c1)N(C)C	803493644	PMVHWSQQSQSXAH-CQSZACIVSA-N	295.335	1.410	10	20	CDCD	
Cc1ccc([C@H](C)NCCN2CCNCC2)c(O)c1C	817945185	WRANWFVYAQXSED-AWEZNQCLSA-N	277.412	1.565	10	20	CDCD	
CC[C@H](NCCNCCOC)c1ccc(C)cc1O	817965097	PLWJAWBTMHQOFW-AWEZNQCLSA-N	266.385	1.977	10	20	CDCD	
CCN1CCN(c2ccc(CNC[C@H](C)O)cc2F)CC1	819033111	NIEKCHNTEOLZGF-ZDUSSCGKSA-N	295.402	1.438	10	20	CDCD	
CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@H]1C	819694798	NTVRNIXBQSVLLN-DGCLKSJQSA-N	291.347	1.940	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H]2NC(=O)CN2CC(C)C)c1	726796761	BRHODGQXTQOZSF-AWEZNQCLSA-N	292.335	1.265	10	20	CDCD	
COc1ccc(CNC(=O)CN2CCCC2)c(O)c1	822611459	BEKBQOPHDXRQNT-UHFFFAOYSA-N	264.325	1.113	10	20	CDCD	
COc1ccc(O)c(CN2C[C@@H]3CCN(C)[C@@H]3C2)c1	824892824	CKMWRYWQOGLKCR-SMDDNHRTSA-N	262.353	1.537	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)c1c[nH]c(-c2nn[nH]n2)c1	825980907	LKOPCZTUJWGLFX-UHFFFAOYSA-N	298.306	1.173	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)c1cc(-c2nn[nH]n2)c[nH]1	821615789	NMKBWAXPZSQJIE-UHFFFAOYSA-N	298.306	1.173	10	20	CDCD	
C[C@H]1C(=O)NCCN1Cc1ccc(Br)cc1O	824645924	TVWNTKLYNPZROC-QMMMGPOBSA-N	299.168	1.475	10	20	CDCD	
C[C@H](CN)C(=O)NCc1c(O)ccc2c1CCCC2	830597282	DKKLZPUWLRJGSH-SNVBAGLBSA-N	262.353	1.482	10	20	CDCD	
Cc1nc(CC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)n[nH]1	832431574	RAJQMNGTNALEAJ-JTQLQIEISA-N	287.367	1.599	10	20	CDCD	
CN(C)c1ccc([C@H](N)CNC(=O)Cc2cccnc2)cc1	832267590	WTOBSIGMMADZGU-MRXNPFEDSA-N	298.390	1.506	10	20	CDCD	
CCN(CC)C(=O)[C@@H](C)OC(=O)c1cc(O)cs1	732353181	NHZLPBQOVSDYDY-MRVPVSSYSA-N	271.338	1.867	10	20	CDCD	
C[C@H](CC(=O)NCc1ccccc1O)c1cnn(C)c1	839613364	VRBNJUQQNUCMNL-LLVKDONJSA-N	273.336	1.936	10	20	CDCD	
CCCCC[C@@H](O)C(=O)NCc1ccc(O)cc1O	910944992	ROMNKZQMDBJODI-GFCCVEGCSA-N	267.325	1.655	10	20	CDCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@H](C)O	840557037	YXAGCEIFFMNPQU-RYUDHWBXSA-N	264.369	1.489	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2CCC(C)(N)CC2)c1O	843108361	SFTSCGRWCCQPGS-UHFFFAOYSA-N	295.339	1.622	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2CCNCC2(C)C)c1O	843054079	CTOMCGQVKXHBDB-UHFFFAOYSA-N	295.339	1.493	10	20	CDCD	
CCOC1CN(C(=O)NCCc2ccc(N)cc2)C1	841956160	XBHPNNGDIVKUMQ-UHFFFAOYSA-N	263.341	1.242	10	20	CDCD	
CCn1cc(NC(=S)NCc2cccn2C)cn1	743062372	YOAMCZDMUKWIFQ-UHFFFAOYSA-N	263.370	1.728	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN[C@@H](C(N)=O)c1ccccn1	840949580	YMULVCKTUMCWGR-MRXNPFEDSA-N	298.390	1.772	10	20	CDCD	
Nc1ccc(CCNC(=O)N[C@H]2CCCC[C@@H]2O)cc1	841957609	SOFAAPGRJVGUBS-KBPBESRZSA-N	277.368	1.414	10	20	CDCD	
Cc1ncc(C(=O)NCc2ccccc2O)c(N)n1	857472716	XJAQLROEULUMSG-UHFFFAOYSA-N	258.281	1.003	10	20	CDCD	
C[C@@H](N[C@H]1C[C@H](O)C1)c1cc([N+](=O)[O-])ccc1O	850577752	CBHIQTHRTSRPKU-NQMVMOMDSA-N	252.270	1.474	10	20	CDCD	
COc1coc(COC(=O)c2cccc(O)c2O)cc1=O	758548333	RQSFYRINQWLOIY-UHFFFAOYSA-N	292.243	1.417	10	20	CDCD	
O=C(N[C@H]1CC[C@H](CO)CC1)c1cc(O)cs1	757905476	APTCWZRPECTDQY-KYZUINATSA-N	255.339	1.735	10	20	CDCD	
CNC[C@@H](C)NCc1cc(Br)ccc1O	853249655	SPHVMPIFKRSVLB-MRVPVSSYSA-N	273.174	1.852	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)NCc1ncccn1	852624811	VHRPAMNLZUXHRT-UHFFFAOYSA-N	299.378	1.884	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)CCCNC(=O)C2CC2)c1	862759710	JOVOXHSRRCRKCL-UHFFFAOYSA-N	290.363	1.623	10	20	CDCD	
CCN(CCN)C(=O)NCc1ccc2c(c1)CCCN2C	861568271	SEYLWNZYGYDQKD-UHFFFAOYSA-N	290.411	1.559	10	20	CDCD	
COCCCN(C)Cc1cc2c(cc1O)OC[C@H]2O	768439451	HQSIVMTXXQECGN-CYBMUJFWSA-N	267.325	1.286	10	20	CDCD	
CC[C@](C)(O)C(=O)NCc1ccc(N2CCOCC2)cc1	930518559	ARFMFQFKTPDASW-INIZCTEOSA-N	292.379	1.300	10	20	CDCD	
CN(C)c1ccc(CN2C(=O)NC3(CCC3)C2=O)cc1F	761177601	FAAUAMHGWNJVQV-UHFFFAOYSA-N	291.326	1.866	10	20	CDCD	
Cc1cccc(O)c1CNCCNC(=O)C(C)(C)C	877022308	TXSLICXFYHFHLJ-UHFFFAOYSA-N	264.369	1.953	10	20	CDCD	
Cc1ccc(CNCC2(O)CCOCC2)c(O)c1	877014442	AQVCYXZTCCJXGU-UHFFFAOYSA-N	251.326	1.332	10	20	CDCD	
CCCn1cc(C(=O)NCc2ccc(N(C)C)cc2)nn1	766310965	JVYQDXXSIBDBOO-UHFFFAOYSA-N	287.367	1.684	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)C2=COCC2)c1	761973253	OSGKVFWLWWCJEX-VIFPVBQESA-N	263.293	1.882	10	20	CDCD	
CO[C@H](C)CNCc1ccc(N2CCC(O)CC2)cc1	877464985	QGKATPARFUTTLQ-CYBMUJFWSA-N	278.396	1.772	10	20	CDCD	
CN(C(=O)CCOC[C@H]1CCCO1)c1ccc(N)cc1	877079977	CSHHPXUYUZRZFY-CQSZACIVSA-N	278.352	1.817	10	20	CDCD	
CCN(C)c1ccc(CN2C[C@H](O)C[C@H]2C(=O)OC)cc1	773758741	XSSIPQJPDSKTHQ-CABCVRRESA-N	292.379	1.251	10	20	CDCD	
Cc1cc(C)c([C@H](C)NCCN2CCNC2=O)c(O)c1	886745041	MNFLKUJVWKBMIE-LBPRGKRZSA-N	277.368	1.685	10	20	CDCD	
O=C(NCCCSc1nccs1)N1CC[C@H]1CO	893645069	GJFJKAVLLURCGP-VIFPVBQESA-N	287.410	1.402	10	20	CDCD	
CN(C)c1ccc([C@H](CNC(=O)N2CCC2)N(C)C)cc1	899102988	UCXLBRRQSJNNGI-HNNXBMFYSA-N	290.411	1.771	10	20	CDCD	
C[C@H]1CN(Cc2cc(F)cc(F)c2O)C[C@H](CO)O1	894539100	XMFDOEJEKFWNKK-GZMMTYOYSA-N	273.279	1.252	10	20	CDCD	
CCOCCC(=O)NCc1ccc(OC)cc1O	794390387	JCUYMFYAUFPDNV-UHFFFAOYSA-N	253.298	1.444	10	20	CDCD	
CC1(C)C[C@@H]1CNC(=O)C(=O)NCCc1ccc(N)cc1	1326151197	HOFSWNBTYIFYJZ-GFCCVEGCSA-N	289.379	1.090	10	20	CDCD	
O=C(NCc1ccccc1O)[C@H]1CCn2ccnc2C1	749223800	PMUKQNDXKLOEGW-NSHDSACASA-N	271.320	1.468	10	20	CDCD	
NC(=O)[C@H]1CCN(Cc2ccc(Br)cc2O)C1	691684090	TWMGILSYHOTUQL-VIFPVBQESA-N	299.168	1.462	10	20	CDCD	
COc1ccc(CN[C@@H](C)c2ncnn2C)c(O)c1OC	1333716654	FJQGPZDPAITGFR-VIFPVBQESA-N	292.339	1.389	10	20	CDCD	
CCN(C[C@@H]1CCCO1)C(=O)NCc1ccc(N)cc1	1335738146	WODGQKNEWJOKDB-AWEZNQCLSA-N	277.368	1.979	10	20	CDCD	
CC(C)[C@@H](CCO)NC(=O)NCc1ccc(N)cc1	1335736480	ASFYAOPTGKBPOE-CYBMUJFWSA-N	265.357	1.475	10	20	CDCD	
Oc1cc2c(cc1CN1CCC[C@H](CF)C1)[C@@H](O)CO2	1331021328	JOUYLQPDQUXARO-YGRLFVJLSA-N	281.327	2.000	10	20	CDCD	
CCOCc1cc(CN[C@H](C(=O)O)[C@H](C)O)ccc1OC	1262164186	YPQHWRDYIPPPOP-HZMBPMFUSA-N	297.351	1.155	10	20	CDCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NC[C@H]1COCCN1	1351678886	HYPWVRQXQPSKBH-AGIUHOORSA-N	276.380	1.827	10	20	CDCD	
CC[C@@H](CO)c1nnc(N(C)Cc2ccccc2O)n1C	1519767329	LCNFKUQPGIUJEB-NSHDSACASA-N	290.367	1.643	10	20	CDCD	
O=C(O)[C@@H]1CCC[C@@H]1NCc1cc([N+](=O)[O-])ccc1O	1595171585	FURWBLIRYHQDJC-MNOVXSKESA-N	280.280	1.643	10	20	CDCD	
COC(=O)N[C@@H](CC(C)C)C(=O)Nc1ccc(N)cc1	160368100	HXSZFRUIIWMSQL-LBPRGKRZSA-N	279.340	1.978	10	20	CDCD	
COc1cccc(CNC(=O)/C=C/c2cnn(C)c2)c1O	155511976	KIZQTLHTSJIUTD-VOTSOKGWSA-N	287.319	1.464	10	20	CDCD	
CN1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2O)CC1	154398412	PDIWJKCHPQILKF-UHFFFAOYSA-N	285.731	1.701	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@H]1C[C@@]12CCCNC2	848398750	WKZPDFPHFAVMLO-CZUORRHYSA-N	274.364	1.740	10	20	CDCD	
CNC(=O)C[C@@H](C)NCc1c(O)cccc1OC	825067717	DXFYJXMIGCCHLS-SECBINFHSA-N	252.314	1.015	10	20	CDCD	
[N-]=[N+]=NCCCS(=O)(=O)NCc1ccccc1	1857788159	MJQRGIPVLJYEJN-UHFFFAOYSA-N	254.315	1.806	10	20	CDCD	
C[C@@H](NCc1ccc2c(c1)CCO2)c1nncn1C	37363311	MSBRUXDEBRQMLI-SNVBAGLBSA-N	258.325	1.601	10	20	CDCD	
CSCC[C@H](N)C(=O)N(C)Cc1ccc(N(C)C)cc1	40464523	WXNYDFDCLBHCHV-AWEZNQCLSA-N	295.452	1.791	10	20	CDCD	
COc1cccc(CNC(=O)Nc2cnn(C)c2)c1O	104983296	DPRJVVHEMVCLFE-UHFFFAOYSA-N	276.296	1.456	10	20	CDCD	
COC[C@@H](C)S(=O)(=O)NCc1ccc(N(C)C)cc1	117904325	ZAHBPIQTSSFUIT-LLVKDONJSA-N	286.397	1.207	10	20	CDCD	
C[C@@H]1NC(=S)N(Cc2ccc(N3CC=CC3)cc2)C1=O	172686176	MOICXOJCKAFTAN-NSHDSACASA-N	287.388	1.668	10	20	CDCD	
COc1cc(Cl)cc(CN(C)C[C@@H](C)O)c1O	187820363	QGROARIKCMNXSX-MRVPVSSYSA-N	259.733	1.867	10	20	CDCD	
CCN(Cc1cc(C)ccc1O)[C@H]1CCS(=O)(=O)C1	179599244	FEFULHVCZSIICK-ZDUSSCGKSA-N	283.393	1.710	10	20	CDCD	
Cc1ccc(C(=O)NC[C@@H](C)C(=O)OC(C)C)c(O)c1O	271288629	PQZURIOHBPQDLN-SNVBAGLBSA-N	295.335	1.724	10	20	CDCD	
CC[C@@](C)(NC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)OC	272537692	XMZUFIZQIMRILP-PMGBHYCQSA-N	293.319	1.569	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCOC1	273224485	VYICZHJYFBLPHO-ONGXEEELSA-N	265.309	1.182	10	20	CDCD	
CC[C@H](N[C@H](CO)CCOC)c1ccc(F)cc1O	287614438	SPZSPRMPNJKBLA-AAEUAGOBSA-N	271.332	1.969	10	20	CDCD	
CC[C@@H](CNCc1cc(OC)c(OC)cc1O)OC	290808194	FWEYGCVNFCXEDA-NSHDSACASA-N	269.341	1.924	10	20	CDCD	
CCS(=O)(=O)CCSc1ncc(C(=O)OC)s1	295401863	WICPLGMSWFUDLQ-UHFFFAOYSA-N	295.407	1.457	10	20	CDCD	
CNc1ccc(C(=O)NCc2ccc(O)c(O)c2)cn1	802785225	YXHWLCISSJYVCS-UHFFFAOYSA-N	273.292	1.465	10	20	CDCD	
COc1ccc(N2CC[C@H](CNC(=O)NCCF)C2)cc1	823559025	ZHXJEIRZQLOQAR-GFCCVEGCSA-N	295.358	1.790	10	20	CDCD	
COc1ncc(/C=C\C(=O)N2CCOc3ccncc32)cn1	492690597	VKQCXUCMZUNTCC-IHWYPQMZSA-N	298.302	1.319	10	20	CDCD	
CCc1cccc(CN2CCc3nn[nH]c3C2)c1O	827877249	KONVBJYWRANVAS-UHFFFAOYSA-N	258.325	1.631	10	20	CDCD	
COc1cccc(CNC(=O)[C@@H]2[C@H]3CCC(=O)[C@H]32)c1O	907061661	WOIQXRFXZLLDKO-TVYUQYBPSA-N	275.304	1.242	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)[C@H]1C[C@@H]1C(=O)O	737021585	XSIZCTRGAOBRKY-RYUDHWBXSA-N	277.320	1.852	10	20	CDCD	
CCCCN(C)CCNC(=O)NCc1ccccc1O	732887112	MFFCGZIMKIHVBL-UHFFFAOYSA-N	279.384	1.923	10	20	CDCD	
CNCC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C	843486610	WUTZFIMZRHDYDN-UHFFFAOYSA-N	263.385	1.709	10	20	CDCD	
O=C(NCc1ccccc1O)c1nccn2ccnc12	743327682	OGXGHFRQYPVPHM-UHFFFAOYSA-N	268.276	1.365	10	20	CDCD	
C/C=C/C[C@H](CO)NC(=O)NCCc1ccc(N)cc1	841958611	HDXVTYWXSFKKLM-BAABZTOOSA-N	277.368	1.438	10	20	CDCD	
Cc1cc(CN2CCO[C@@H](CC(=O)O)C2)ccc1N(C)C	846271793	BTRRNIQBMYPMRU-AWEZNQCLSA-N	292.379	1.737	10	20	CDCD	
CC(C)[C@H](O)C(=O)NCc1cc(Cl)ccc1O	846477154	QCTBODFIAJHFDQ-NSHDSACASA-N	257.717	1.679	10	20	CDCD	
Cc1ccc(C(=O)NC[C@@H]2C[C@H](C)O[C@H]2C)c(O)c1O	840517753	XAHJLXWUMMOSIT-DCAQKATOSA-N	279.336	1.950	10	20	CDCD	
CCN(CC)C[C@H](C)NC(=O)NCCc1ccc(N)cc1	841744790	SWMKECPHXHOSEB-ZDUSSCGKSA-N	292.427	1.841	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)C2(N)CCCC2)c1	843489462	PHFALMNIVPVODU-JTQLQIEISA-N	278.352	1.850	10	20	CDCD	
O=C(Nc1nc(C2=S=CC=C2)n[nH]1)c1ccncc1F	741213687	BMTDCVIHECXMAK-UHFFFAOYSA-N	289.295	1.217	10	20	CDCD	
COc1cccc([C@H](C)N[C@@H]2CC(=O)N(C3CC3)C2)c1O	846154547	NSVDKMJLAHWSEQ-WDEREUQCSA-N	290.363	1.815	10	20	CDCD	
Nc1ccc(NC(=O)C(=O)N2CCCC23CCC3)cc1	841120197	DGJFIPIGRFHBBW-UHFFFAOYSA-N	273.336	1.752	10	20	CDCD	
CC(C)[C@@H](N)CCN(C)C(=O)NCCc1ccc(N)cc1	841956244	ZRXNXTKURQCZIT-HNNXBMFYSA-N	292.427	1.826	10	20	CDCD	
CCN[C@H](C)CNC(=O)N(C)Cc1ccccc1O	841986667	UVGZSYSGPDQMSL-LLVKDONJSA-N	265.357	1.532	10	20	CDCD	
C[C@H](CN)NC(=O)NCc1ccc(N2CCCC2)cc1	841709879	NQOPNUGTYMKUSC-GFCCVEGCSA-N	276.384	1.433	10	20	CDCD	
C[C@H]1CCN(C(=O)c2cc(O)cs2)C[C@@H]1CO	857365029	MWEXHRUPXNZBOM-DTWKUNHWSA-N	255.339	1.544	10	20	CDCD	
OCCCNCc1ccc(Br)cc1O	691394882	HTLBDNQYXOFSJQ-UHFFFAOYSA-N	260.131	1.627	10	20	CDCD	
CCOc1ccc(CN2CCN(C)C(=O)C2)c(O)c1	769446558	RLUBIFXRHIPGGR-UHFFFAOYSA-N	264.325	1.065	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)CCc2cnn(C)c2C)c1	862758097	OORXEYIPTHOEGV-UHFFFAOYSA-N	287.363	1.992	10	20	CDCD	
C[C@@H](NC(=S)NC[C@H]1CCOC1)c1ccccc1O	865269312	INESNRDDERKZKL-GHMZBOCLSA-N	280.393	1.954	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2cc(C)nnc2C)c1	767171919	XRIIKDXDEHMGGD-UHFFFAOYSA-N	287.319	1.738	10	20	CDCD	
CN(C)c1cc(F)c(CN2CC[C@@](F)(CO)C2)cc1F	862358175	XBIAQWYDMOMJLW-AWEZNQCLSA-N	288.313	1.937	10	20	CDCD	
CCCN(CC(=O)NC)Cc1ccc(C)cc1O	876631479	KBKBUDNTOHPCKH-UHFFFAOYSA-N	250.342	1.659	10	20	CDCD	
Cc1cccc(CN2CCC(C(=O)NCCO)CC2)c1O	775652987	YNGYRBJGUKSDSH-UHFFFAOYSA-N	292.379	1.021	10	20	CDCD	
O=C(NCc1ccccc1O)c1ccc(CO)c(F)c1	774062664	GGHKJKYFLMEJRF-UHFFFAOYSA-N	275.279	1.954	10	20	CDCD	
c1cc(N2CCCC2)ccc1CN1C[C@@H]2CNC[C@H]2C1	1116449613	RPNOMWYTWWRKIA-HOTGVXAUSA-N	271.408	1.938	10	20	CDCD	
Cc1ccc(CN2CC[C@H]3NC(=O)CC[C@@H]3C2)c(O)c1	877628492	IKZQDPSNUFPMKU-TZMCWYRMSA-N	274.364	1.801	10	20	CDCD	
C[C@H](NC(=O)CCc1nc[nH]n1)c1ccc(N(C)C)cc1	773018698	ZQNRSFZTCSELOZ-NSHDSACASA-N	287.367	1.681	10	20	CDCD	
CC(C)[C@H]1CN(C(=O)/C=C\c2ccc(O)c(O)c2)CCO1	779547495	VKXINQXZSLHHBF-ZDTYVGOBSA-N	291.347	1.994	10	20	CDCD	
CCOC(=O)[C@@H]1CCN(C(=O)c2ccc(C)c(O)c2O)C1	884739915	ZHDGMQFSQQOTFM-SNVBAGLBSA-N	293.319	1.431	10	20	CDCD	
Oc1c(F)cc(F)cc1CNCCOC[C@H]1CCCO1	883003071	XTVVJBYJYPMHLN-GFCCVEGCSA-N	287.306	1.956	10	20	CDCD	
COc1cc(C)cc(CN[C@H](C)CC[S@](C)=O)c1O	894332933	KIMXGOJKSSBMKF-WYRIXSBYSA-N	285.409	1.956	10	20	CDCD	
C[C@@H](NC(=O)NC[C@H]1CNCCCO1)c1ccccc1O	892167788	GSYFRGCJEWRRAI-VXGBXAGGSA-N	293.367	1.131	10	20	CDCD	
COc1ccc(CNCCCNC(=O)C(F)F)cc1C	1154055788	JDUWBYBHVFZYOJ-UHFFFAOYSA-N	286.322	1.865	10	20	CDCD	
CN1CC[C@](O)(CNCc2cccc(Cl)c2O)C1	702602009	FGRGQSXTSVPGGZ-ZDUSSCGKSA-N	270.760	1.202	10	20	CDCD	
O=C(Nc1c(Cl)ccc2nonc12)[C@]1(F)CCOC1	1323484244	UKMAVJJSGGCMDK-NSHDSACASA-N	285.662	1.943	10	20	CDCD	
C[C@@H](NCc1ccc(N2CCCC2)cc1)C(=O)NCCF	1321696631	RTEQBUCUPJTWFV-CYBMUJFWSA-N	293.386	1.851	10	20	CDCD	
COCCOCC(=O)Nc1c(Cl)ccc2nonc12	1256174664	ACMSOTNJFWNQGT-UHFFFAOYSA-N	285.687	1.478	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@H]1CC12CCNCC2	70254400	CGGBPSDMWPWCIO-CYBMUJFWSA-N	274.364	1.740	10	20	CDCD	
CCN1CCC[C@H](NCc2cccc(C)c2O)C1=O	722344260	AZALXXLIPHDERP-ZDUSSCGKSA-N	262.353	1.801	10	20	CDCD	
CCCN(Cc1ccccc1O)c1cc(=O)n(C)c(O)n1	1354142813	VWSIKMCGKAFLAL-UHFFFAOYSA-N	289.335	1.608	10	20	CDCD	
C[C@@H](NCC(C)(C)N)c1cc(C(=O)O)ccc1O	1609774961	XSSIJJDAFBGYEX-MRVPVSSYSA-N	252.314	1.478	10	20	CDCD	
C[C@@](O)(CNCc1cc(Cl)cc(Cl)c1O)C(=O)O	1609972328	KYYBGQIKAMUYPF-LLVKDONJSA-N	294.134	1.624	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)c2ccc(C(=O)O)cn2)c1	1600465232	UFUWPUQURVSSEW-UHFFFAOYSA-N	286.287	1.724	10	20	CDCD	
C[C@@H]1C[C@H](N[C@H](C)c2cc(C(=O)O)ccc2O)CO1	1594260681	FHCNICLUHMYTDY-KKZNHRDASA-N	265.309	1.918	10	20	CDCD	
COc1ccc(CNCc2cc(C(=O)O)no2)c(O)c1	1599573158	QXCVQQRRGQWRJZ-UHFFFAOYSA-N	278.264	1.377	10	20	CDCD	
C[C@H](N[C@@H]1CCN(CCC(=O)O)C1=O)c1ccccc1O	1599902094	KFGPTKIGFQNMBF-CMPLNLGQSA-N	292.335	1.118	10	20	CDCD	
C[C@@H](C(=O)NCc1ccc(O)c(O)c1)N1CCCCCC1	158923265	XBUAIURWMLPXRK-LBPRGKRZSA-N	292.379	1.979	10	20	CDCD	
CN(Cc1ccccc1O)C[C@@H](O)c1ccccn1	851840885	KUGLAAWMYLQSCG-OAHLLOKOSA-N	258.321	1.953	10	20	CDCD	
CCc1nc(CNCc2cc3c(cc2O)OCO3)co1	825049879	FBCLVBZPBZWBAF-UHFFFAOYSA-N	276.292	1.961	10	20	CDCD	
COc1cccc(CNC[C@]2(O)CCO[C@@H]2C)c1O	227968598	OBDGPBVOEZQIGP-QMTHXVAHSA-N	267.325	1.030	10	20	CDCD	
CCOc1cccc(CN2CC[C@H](C(N)=O)C2)c1O	157128248	KKXVKQZJSKDKCI-NSHDSACASA-N	264.325	1.098	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CCNC1CC1	37801190	BRXQFYBZRLATQI-UHFFFAOYSA-N	275.396	1.853	10	20	CDCD	
COC[C@](C)(O)CN[C@H](C)c1cc(OC)ccc1O	382544464	CJACSTMKOQSRBE-QMTHXVAHSA-N	269.341	1.449	10	20	CDCD	
O=C(N[C@@H]1CC12CCOCC2)c1cccc(O)c1O	386979734	IDMUIXGAJOLIOS-LLVKDONJSA-N	263.293	1.397	10	20	CDCD	
CN(CCCO)C1CCN(Cc2cc(F)ccc2O)CC1	180155654	JCIHNVSBDRZNKO-UHFFFAOYSA-N	296.386	1.810	10	20	CDCD	
CCCNC(=O)CNCc1ccc(OC)c(C)c1	35052692	VGDWLNFNTOJKGM-UHFFFAOYSA-N	250.342	1.619	10	20	CDCD	
Cc1ccc(O)c(CN[C@H](C)CCN2CCN(C)CC2)c1	185869293	IUEAQLVZZMIHIQ-OAHLLOKOSA-N	291.439	1.816	10	20	CDCD	
CC[C@@H](C)NC(=O)CN1CCOc2cc(N(C)C)ccc21	181127682	NHYKZZXVRONORN-GFCCVEGCSA-N	291.395	1.866	10	20	CDCD	
CC[C@@H]1CN(C(=O)c2ccc(C)c(O)c2O)CCO1	181846453	VTVLWRDHKXJBCP-SNVBAGLBSA-N	265.309	1.657	10	20	CDCD	
CC(C)SCCNC(=O)c1cccc(O)c1O	286800770	SPDMKOCGYSNRJT-UHFFFAOYSA-N	255.339	1.969	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NC[C@H]1CC[C@@H](O)C1	191181236	QUKFNQKNWJCGHI-CXILLOQGSA-N	277.320	1.388	10	20	CDCD	
CC(C)[C@H](CCO)NC(=O)c1cccc(O)c1O	230107639	LWNJFZDGMGUESA-JTQLQIEISA-N	253.298	1.235	10	20	CDCD	
Nc1ccc(CC(=O)NCc2nnc3n2CCCCC3)cc1	237909461	DOVKCDYENUMVOM-UHFFFAOYSA-N	299.378	1.446	10	20	CDCD	
C[C@H](NC[C@@]1(O)CCO[C@H]1C)c1ccc(F)c(F)c1O	278636933	DDLYCFSKWRCKGO-FZNYLWTLSA-N	287.306	1.861	10	20	CDCD	
Cc1cccc(CN2CCOC[C@H]2c2ncon2)c1O	374836846	OZDYZIOJYCERHA-LBPRGKRZSA-N	275.308	1.657	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCC[C@H]1[C@@H]1CCCO1	285795905	MGFWEGGEOCPJBY-AAEUAGOBSA-N	277.320	1.881	10	20	CDCD	
CNC(=O)[C@H]1CN(Cc2ccc(N(C)C)c(C)c2)CCO1	294780826	ZWIWZVKARGLMCG-OAHLLOKOSA-N	291.395	1.008	10	20	CDCD	
COCC(C)(C)CNC(=O)c1ccc(C)c(O)c1O	293754995	PMTBAARRONCIKI-UHFFFAOYSA-N	267.325	1.809	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CC1(F)F	295771353	PVMMSSKXIUGFMI-VXNVDRBHSA-N	271.263	1.800	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N2CC[C@@H](C(=O)O)C2)cc1	818390656	CSKSVFQDAKYLMY-GFCCVEGCSA-N	291.351	1.369	10	20	CDCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NCCC(N)=O	819376756	ITYXWUVDGILXSS-GFCCVEGCSA-N	263.385	1.457	10	20	CDCD	
COc1ccc(CNC(=O)CCc2cncnc2)c(O)c1	816550353	OQRNIDUYTOXEFY-UHFFFAOYSA-N	287.319	1.440	10	20	CDCD	
Nc1ccc(CCNC(=O)c2cn3c(n2)CCCC3)cc1	818544636	DSVAUOMPURWORC-UHFFFAOYSA-N	284.363	1.774	10	20	CDCD	
C[C@@H](NC(=O)[C@]1(O)CCSC1)c1ccccc1O	827941313	PWBWSRYSEUWOOU-RNCFNFMXSA-N	267.350	1.437	10	20	CDCD	
CN(C)c1ccc(CNC(=O)COc2cncnc2)cc1	901706841	RRGOWFKDVOAJCE-UHFFFAOYSA-N	286.335	1.238	10	20	CDCD	
CC[C@H](C)[C@H](NCc1cc([N+](=O)[O-])ccc1O)C(=O)O	820465951	ZSQUIWPCEAIMLU-UFBFGSQYSA-N	282.296	1.889	10	20	CDCD	
Cc1cc(CCC(=O)NCc2ccc(O)cc2O)no1	822971885	IZNANUYUOALAQX-UHFFFAOYSA-N	276.292	1.643	10	20	CDCD	
CCN(CC(=O)N(C)C)C(=O)c1cc(O)cs1	732271189	PYWQBGSLPTYBCE-UHFFFAOYSA-N	256.327	1.004	10	20	CDCD	
Nc1ccc(CC(=O)N[C@H]2CCN(c3ccccn3)C2)cc1	831442900	ABPXACAWLVRKLP-HNNXBMFYSA-N	296.374	1.601	10	20	CDCD	
O=C(c1c(F)ccc(O)c1O)N1CCOCC(F)(F)C1	832130395	USRROUQOHBGFQL-UHFFFAOYSA-N	291.225	1.345	10	20	CDCD	
COc1ccc(O)c(CN[C@@H](C)CC[S@](C)=O)c1	164757998	IRVGVIAJQGLVQS-XTZNXHDOSA-N	271.382	1.648	10	20	CDCD	
NCCN(CCO)Cc1cc(Cl)cc(Cl)c1O	841059792	XBHPGRUWJMRIOV-UHFFFAOYSA-N	279.167	1.452	10	20	CDCD	
Nc1ccc(NC(=O)C(=O)N2CC[C@H](c3ccco3)C2)cc1	841034837	FXFCMHUWKUTRRR-NSHDSACASA-N	299.330	1.816	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1CCN(CCO)CC1	840908965	ZLZJWOKTWOTRDC-UHFFFAOYSA-N	277.412	1.171	10	20	CDCD	
COC(=O)N(C)CCN(C)c1ccc(OC)cc1	846447058	PEXIDOGMATWWPI-UHFFFAOYSA-N	252.314	1.830	10	20	CDCD	
CC(C)Oc1ccc(N(C)Cc2nnnn2C)cc1	759933821	QTFZNHGFABBEBF-UHFFFAOYSA-N	261.329	1.634	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CCCNC2=O)c1	866762964	ASYPJDZXOFLFQV-KOLCDFICSA-N	292.335	1.104	10	20	CDCD	
Oc1cc2c(cc1CN1CCCOCC1)[C@H](O)CO2	768445776	UIVMELBVDICEAW-CYBMUJFWSA-N	265.309	1.040	10	20	CDCD	
C[C@@H](NC[C@@]1(O)CCN(C)C1)c1cc(Cl)ccc1O	762786904	LOTUVXLAHPINMI-YGRLFVJLSA-N	284.787	1.763	10	20	CDCD	
CCOc1ccc(CN(CC)CC(=O)N(C)C)c(O)c1	768308145	NZZLJPLJDYYPJD-UHFFFAOYSA-N	280.368	1.701	10	20	CDCD	
CS[C@@H](CO)[C@@H](C)NCc1c(C)cccc1O	877049976	WMLSAADOCAYHRS-MFKMUULPSA-N	255.383	1.903	10	20	CDCD	
CN(C)CCN(C)Cc1ccc(N2CCC(O)CC2)cc1	877524358	VRKXVVGLFXKHTB-UHFFFAOYSA-N	291.439	1.641	10	20	CDCD	
C[C@H]1[C@H](C)N(Cc2cc3c(cc2O)OCO3)CCN1C	775986194	POSRHYJHQFIUBI-QWRGUYRKSA-N	278.352	1.645	10	20	CDCD	
COCC[C@@]1(NCc2cc([N+](=O)[O-])ccc2O)CCOC1	773953389	FLTMMFIDKWZCJO-CQSZACIVSA-N	296.323	1.586	10	20	CDCD	
CO[C@]1(CN[C@@H](C)c2c(O)cccc2F)CCOC1	886590133	OLTSWVNONKYMHC-HZMBPMFUSA-N	269.316	1.987	10	20	CDCD	
CC(C)(C)C(=O)NCCNC(=O)NCc1ccc(N)cc1	1120570922	JKRHYPGIDUZUIZ-UHFFFAOYSA-N	292.383	1.230	10	20	CDCD	
CC(C)[C@H](F)C(=O)NCCc1ccc(O)c(O)c1	784447097	TXVYHANLDBQWLT-LBPRGKRZSA-N	255.289	1.751	10	20	CDCD	
COc1cccc(O)c1CN[C@H](CO)C[C@H]1CCCO1	886229902	XNRJZFOBIMKMAK-NWDGAFQWSA-N	281.352	1.420	10	20	CDCD	
O=S(=O)(Nc1ccc(O)cc1F)c1ccoc1	795349209	WEUOGIZIBOZLHV-UHFFFAOYSA-N	257.242	1.925	10	20	CDCD	
NC(=O)C1(NCc2cc(Cl)cc(F)c2O)CC1	792175720	ZRWDCGFYEHGVEL-UHFFFAOYSA-N	258.680	1.292	10	20	CDCD	
CN(C)CC(C)(C)CNC(=O)c1c(F)ccc(O)c1O	790065844	SUZUCANKJAYKFO-UHFFFAOYSA-N	284.331	1.555	10	20	CDCD	
COc1cccc(O)c1CN1CCN(C)C(C)(C)C1	895564181	AFZQJPHWWNTKGR-UHFFFAOYSA-N	264.369	1.927	10	20	CDCD	
COc1ccc(N2CCN(C[C@H](C)N)CC2)c(OC)c1	1236410809	KNFGHBMYDYGMPW-LBPRGKRZSA-N	279.384	1.173	10	20	CDCD	
C[C@@H]1[C@H](NCc2cc(F)cc(F)c2O)CCS1(=O)=O	708557812	BHXWYFCPSAQYKF-RDDDGLTNSA-N	291.319	1.336	10	20	CDCD	
OCCOCCNCc1ccc(Br)cc1O	691461591	JMXPKHVBCXTFHN-UHFFFAOYSA-N	290.157	1.253	10	20	CDCD	
COc1cc(C)cc(CNC[C@@H]2CCCS2(=O)=O)c1O	1333705785	UMWQCHBHDAQEHM-LBPRGKRZSA-N	299.392	1.376	10	20	CDCD	
O=C(NCCC(F)(F)F)c1c(F)ccc(O)c1O	1261260169	FDWPFILTXCRSKN-UHFFFAOYSA-N	267.178	1.919	10	20	CDCD	
C[C@H](C(=O)O)C1(NCc2cc([N+](=O)[O-])ccc2O)CC1	1261503634	HARAGZPMWRBDBI-MRVPVSSYSA-N	280.280	1.643	10	20	CDCD	
Cc1ccc(O)c(CNCc2c(C(=O)O)cnn2C)c1	1605296504	JICISZWHBMNRRL-UHFFFAOYSA-N	275.308	1.422	10	20	CDCD	
O=C(Cc1ccc(O)c(O)c1)Nc1cccc(C(=O)O)c1	1594707557	IYXMURPMLDIGFF-UHFFFAOYSA-N	287.271	1.977	10	20	CDCD	
Cc1ccc(C(=O)N2[C@H](C)CC[C@@H]2C(=O)O)c(O)c1O	1594346318	NKQYZJLTGNYSMM-PSASIEDQSA-N	279.292	1.484	10	20	CDCD	
COCC[C@@H](CO)NCc1ccc2c(c1)CCCO2	922096850	MKWGEJBNCWWNMR-AWEZNQCLSA-N	265.353	1.499	10	20	CDCD	
CN(C)c1ccc(CNCCO[C@H]2CCOC2)cc1	922942903	WNPVQKLMNHROCW-HNNXBMFYSA-N	264.369	1.648	10	20	CDCD	
NCC[C@H]1CCCN(C(=O)Cc2ccc(N)cc2)C1	834703063	DNLQHZVQODUYSF-CYBMUJFWSA-N	261.369	1.399	10	20	CDCD	
O=S1(=O)CCC[C@@H](NCc2cc(F)ccc2O)C1	226611308	IEBVIJZKJWENDT-LLVKDONJSA-N	273.329	1.198	10	20	CDCD	
CCOC(=O)[C@H](C)NCc1cc2c(cc1O)OCO2	42880501	YNPHXUCWJVMLTP-QMMMGPOBSA-N	267.281	1.162	10	20	CDCD	
COCCOCCCNCc1ccc2c(c1)CCO2	37362909	UDZSLOCKOJBKOB-UHFFFAOYSA-N	265.353	1.764	10	20	CDCD	
CS(=O)(=O)[C@H]1CCC[C@H](NCc2ccccc2O)C1	77458048	QLPZILQWGLVOHX-STQMWFEESA-N	283.393	1.838	10	20	CDCD	
CCS(=O)(=O)C[C@H](C)NCc1c(O)cccc1Cl	113350388	KVCZAXLLNXSBNO-VIFPVBQESA-N	291.800	1.958	10	20	CDCD	
O=C1NC(=S)S/C1=C\c1cccc2nccn12	178941100	PZDQVYHQKRPADC-VURMDHGXSA-N	261.331	1.823	10	20	CDCD	
CC(=O)N[C@@H](C)C(=O)NCc1ccc(N(C)C)cc1C	115281202	MIKZMEJGSOEJBB-NSHDSACASA-N	277.368	1.202	10	20	CDCD	
c1cc2c(cc1CNC[C@@H]1CN3CCC[C@@H]3CO1)CCO2	112839296	MFXPTDRNEQZZAP-HZPDHXFCSA-N	288.391	1.574	10	20	CDCD	
CCN(CC(=O)N(C)C)Cc1cccc(C)c1O	124534049	IXNYIKBEEANHOR-UHFFFAOYSA-N	250.342	1.611	10	20	CDCD	
CN(C)c1ccc(CN(C)S(=O)(=O)N2CCCC2)cc1	73769422	OZCOJRZTDGBDIR-UHFFFAOYSA-N	297.424	1.525	10	20	CDCD	
COc1ccc(N(C)Cc2nncn2C)cc1F	121733517	LXESMYGVHTYLGV-UHFFFAOYSA-N	250.277	1.599	10	20	CDCD	
CC(C)[C@@](C)(CN)NC(=O)c1cccc(O)c1O	126720017	HVAYJPYYEVZZFM-CYBMUJFWSA-N	252.314	1.201	10	20	CDCD	
CCCNC(=O)CN[C@H](C)c1ccc(C)cc1O	36780769	LWQFQCVIOACYJV-LLVKDONJSA-N	250.342	1.877	10	20	CDCD	
CCn1nncc1CN[C@@H](C)c1cc(F)ccc1O	527921285	WEURCFPMRQTUKW-VIFPVBQESA-N	264.304	1.994	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H]1CC[C@H](O)C1	191181191	QUKFNQKNWJCGHI-ZBWCZXCSSA-N	277.320	1.388	10	20	CDCD	
C[C@H](Sc1nccs1)c1nc(N)nc(N(C)C)n1	48875350	GRMMZSHKWSNTEB-LURJTMIESA-N	282.398	1.830	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)CN(C)[C@@H]1CCSC1	136462420	JJWCLSSHSICZSB-CYBMUJFWSA-N	294.420	1.788	10	20	CDCD	
COc1cccc(CNC(=O)c2noc(C)n2)c1O	136753172	GOGQRHXHLDDDEJ-UHFFFAOYSA-N	263.253	1.022	10	20	CDCD	
CCc1nnsc1C(=O)N(C)c1ccc(N)cc1	87443737	YXXJJYAVQHNIOF-UHFFFAOYSA-N	262.338	1.959	10	20	CDCD	
CCOc1cccc(CN[C@H]2C(=O)NCC[C@H]2C)c1O	193693948	IVGFXLPJLQSBPU-ZWNOBZJWSA-N	278.352	1.405	10	20	CDCD	
COC(=O)CCCSc1ncc(C(=O)OC)s1	295292704	LPSAYJYIWSVFNQ-UHFFFAOYSA-N	275.351	1.975	10	20	CDCD	
CCOc1ccc(O)c(CNC[C@]2(O)CCO[C@H]2C)c1	278750627	WGEZSXWWKBRLRT-XHDPSFHLSA-N	281.352	1.420	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H]2CC(C)(C)OC2=O)c(O)c1O	272770775	SGTNUHCUZAFERX-SECBINFHSA-N	279.292	1.230	10	20	CDCD	
CCO[C@@H]1C[C@H](NC(=O)c2ccc(C)c(O)c2O)[C@@H]1OC	275230517	FCIZAKONGVMFPA-WDMOLILDSA-N	295.335	1.328	10	20	CDCD	
CCOc1ccc(O)c(CNC[C@@H](CO)[C@@H]2CCOC2)c1	280315870	OVFQZDCUUMITDZ-OCCSQVGLSA-N	295.379	1.526	10	20	CDCD	
Cc1ccc(C(=O)N2CCC[C@@](C)(O)CC2)c(O)c1O	280480536	GGCGXHHSLWNKRT-OAHLLOKOSA-N	279.336	1.783	10	20	CDCD	
COc1cccc(CNCc2cnc(N(C)C)nc2)c1O	289480244	QIMNQALXBSSMBI-UHFFFAOYSA-N	288.351	1.547	10	20	CDCD	
C[C@H]1C[C@@H](C)[C@H](C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)O1	282698983	JSRZQIJIKLYGDQ-YYHMBLRTSA-N	293.363	1.959	10	20	CDCD	
COc1ccc(C(=O)OCC(=O)C(C)=O)cc1F	808492434	URKNMJZLPNUGQI-UHFFFAOYSA-N	254.213	1.149	10	20	CDCD	
CC[C@@H]1CN(Cc2ccccc2O)C[C@H](C)S1(=O)=O	809725543	VVOLDQIYHUUSDN-WCQYABFASA-N	283.393	1.790	10	20	CDCD	
C/C=C\C(=O)N(CC(=O)OCC)Cc1ccccc1O	819694347	GZMZTEZHRCGLBD-CLTKARDFSA-N	277.320	1.860	10	20	CDCD	
CC[C@@H](NCc1ccc(N2CCOCC2)cc1)C(=O)NC	825315831	GVULRHPJPHNDRN-OAHLLOKOSA-N	291.395	1.137	10	20	CDCD	
Cc1ccc(C(=O)NCCC2(CO)CC2)c(O)c1O	836968568	RVGOKGUAPPQDSA-UHFFFAOYSA-N	265.309	1.299	10	20	CDCD	
CCOc1ccc(CNC[C@H]2CCCNC2=O)c(O)c1	839197085	ZUAXKADCZAHBEJ-GFCCVEGCSA-N	278.352	1.407	10	20	CDCD	
COCC1(CNC(=O)c2c(F)ccc(O)c2O)CCC1	831276300	JWBNWAWQXZCMRD-UHFFFAOYSA-N	283.299	1.783	10	20	CDCD	
O=S(=O)(CCN[C@@H]1CCc2cccc(O)c21)CC1CC1	834685494	XPUFRYMQXPYOOK-CYBMUJFWSA-N	295.404	1.794	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CCC[C@H]1O	838478271	JLNRAZBTXJAQRK-HUUCEWRRSA-N	291.395	1.774	10	20	CDCD	
CC(=O)N(CC(=O)O)Cc1cc(Cl)ccc1O	833389291	JYJIEBMRYSNCGU-UHFFFAOYSA-N	257.673	1.479	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@H]2CC(C)=NO2)c1	830544714	SZJWQSMUVPPFSG-GFCCVEGCSA-N	264.281	1.182	10	20	CDCD	
CC(C)N1CC[C@@H](CNC(=O)NCc2ccccc2O)C1	748445478	ZDHZEIMYEKESBS-ZDUSSCGKSA-N	291.395	1.922	10	20	CDCD	
Nc1ccc(CCNC(=O)[C@H]2CCc3ncncc3C2)cc1	843343524	YHJVPFXTPNZDSA-ZDUSSCGKSA-N	296.374	1.523	10	20	CDCD	
COc1cccc([C@H](C)N[C@@H](C)C(=O)N(C)C)c1O	846165466	MSYWKVYSUOLLNA-UWVGGRQHSA-N	266.341	1.528	10	20	CDCD	
COc1ccc(N2CCC(NC[C@@H](C)C(=O)O)CC2)cc1	848638133	PAPIBPJJSRUITP-GFCCVEGCSA-N	292.379	1.974	10	20	CDCD	
COc1cccc([C@H](C)N[C@H](CO)C2CCOCC2)c1O	846162998	KARWPGFXNLXRIR-SMDDNHRTSA-N	295.379	1.839	10	20	CDCD	
COc1ccc(N(C)CCN(C)CCC2OCCO2)cc1	844402025	SGRIJGQIIFSLOB-UHFFFAOYSA-N	294.395	1.826	10	20	CDCD	
CNC[C@@H]1CCCN1C(=O)NCCc1ccc(N)cc1	841955502	FGBLNSCHKYZUJE-AWEZNQCLSA-N	276.384	1.205	10	20	CDCD	
COC[C@H](O)CN[C@H](C)c1cccc(OC)c1O	846168337	SOPKSBXHNJZQML-NXEZZACHSA-N	255.314	1.059	10	20	CDCD	
CN(CCN1CCCC1)C(=O)NCCc1ccc(N)cc1	841953933	GEVZQQJSUJQEFL-UHFFFAOYSA-N	290.411	1.549	10	20	CDCD	
C[C@H](CN)CNCc1ccc(N2CCOCC2)cc1	841048073	GQAZJANILKHCLD-CYBMUJFWSA-N	263.385	1.208	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNCC(C)(C)OCCO	840945309	IFXCRVGWBLMGCQ-UHFFFAOYSA-N	280.412	1.938	10	20	CDCD	
CC1(C)[C@@H](NC(=O)NCCc2ccc(N)cc2)C[C@H]1O	841960209	XUGSRNAOTDWUJZ-QWHCGFSZSA-N	277.368	1.270	10	20	CDCD	
OC[C@H]1CN(Cc2cc(Cl)ccc2O)CC[C@H]1O	840975182	MDWWUYHRVGHJKJ-ZWNOBZJWSA-N	271.744	1.221	10	20	CDCD	
CCOc1ccc(CN2CCN[C@@H](C)[C@H]2C)c(O)c1	843057007	FBWDFFKWYPWUIZ-NWDGAFQWSA-N	264.369	1.973	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)N[C@@H]2COC[C@H]2C)c1	926029992	IWBNTBWIVJJPST-ZYHUDNBSSA-N	264.325	1.535	10	20	CDCD	
C[C@H](NCCN1CCO[C@H](C)C1)c1ccc(F)cc1O	756547292	YLBXTPIYIVSIDM-NEPJUHHUSA-N	282.359	1.903	10	20	CDCD	
COc1ccc(CNC(=O)N[C@@H]2C=CCC2)c(O)c1	852508968	SISOOGQVOSBTOE-LLVKDONJSA-N	262.309	1.919	10	20	CDCD	
CSC1CCN(C(=O)C(=O)Nc2ccc(N)cc2)CC1	868257063	IAXCJQYTAJUQFX-UHFFFAOYSA-N	293.392	1.561	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@@H]2CC(=O)N(C3CC3)C2)c1	862759764	KWHVAYXLBCGOIE-GFCCVEGCSA-N	288.347	1.328	10	20	CDCD	
CCc1noc(NC(=O)NCc2cc(C)ccc2O)n1	861143137	JCWOQIALJMAXAL-UHFFFAOYSA-N	276.296	1.968	10	20	CDCD	
CC(=O)c1cc(O)ccc1NS(=O)(=O)C[C@H]1CCCO1	766048034	PIDUZMYMKJCTKT-LLVKDONJSA-N	299.348	1.516	10	20	CDCD	
CCC[C@@H]1CN(Cc2cc3c(cc2O)OC[C@@H]3O)CCO1	768465656	OPNIUDIDXUCFMJ-DOMZBBRYSA-N	293.363	1.819	10	20	CDCD	
CN1CC[C@@H](N(C)Cc2cc(Cl)cc(F)c2O)C1=O	775710106	IVBBNCDRRIEIFY-LLVKDONJSA-N	286.734	1.847	10	20	CDCD	
CO[C@@H]1CCC[C@H]1CNC(=O)c1cc(O)cs1	775617854	LQSKXTWIJIPKGT-WCBMZHEXSA-N	255.339	1.999	10	20	CDCD	
CNC(=O)CCCCC(=O)NCc1ccc(N(C)C)cc1	779583923	OYSBBKXONVCQDO-UHFFFAOYSA-N	291.395	1.675	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN[C@@H](C)CS(C)(=O)=O	775396434	WQYSDNWCEADKQI-LBPRGKRZSA-N	284.425	1.584	10	20	CDCD	
N[C@@H](CC1CC1)C(=O)NCCCSc1nccs1	884138076	CUPMVFWDVOWZPD-JTQLQIEISA-N	285.438	1.869	10	20	CDCD	
CCn1cc(CC(=O)NCc2ccccc2O)cn1	780930147	DNFCFGKOUGIGJQ-UHFFFAOYSA-N	259.309	1.468	10	20	CDCD	
C[C@H](NCCN1CCO[C@H](C)C1)c1ccccc1O	783507664	DJLPPFWOJDRNIF-OLZOCXBDSA-N	264.369	1.764	10	20	CDCD	
COc1cc(C)cc(CNc2cnn(CCO)c2)c1O	894363598	FOYBQQIPZMSENJ-UHFFFAOYSA-N	277.324	1.510	10	20	CDCD	
Cc1cccc(CN2[C@@H](C)[C@@H](C)NC(=O)[C@H]2C)c1O	895118859	QMJMVCVDITVSMJ-GRYCIOLGSA-N	262.353	1.798	10	20	CDCD	
O=[N+]([O-])c1ccc(O)c(CNCC[C@@H](O)C2CC2)c1	898206600	QXKCFNKFVHONQD-CYBMUJFWSA-N	266.297	1.551	10	20	CDCD	
COc1cc(C)cc(CNC[C@@]2(OC)CCOC2)c1O	894469264	GJHCCHIJLILVBC-HNNXBMFYSA-N	281.352	1.604	10	20	CDCD	
C[C@@H]1NC(=O)[C@H](C)N(Cc2cc(F)cc(F)c2O)[C@H]1C	895119963	GXILHNXSJHQDLI-CIUDSAMLSA-N	284.306	1.768	10	20	CDCD	
CCOC(=O)[C@H](NC(=O)c1ccc(C)c(O)c1O)C1CC1	1320065141	FYJNGHITGCIGCX-LLVKDONJSA-N	293.319	1.478	10	20	CDCD	
CCN(C)C(=O)CN[C@@H](C)c1cc(C)ccc1O	186813659	YLDXAUAVBLAFIA-NSHDSACASA-N	250.342	1.830	10	20	CDCD	
CN(Cc1ccccc1O)S(=O)(=O)CC1CCNCC1	722273062	PRPMTVOVUKWLIN-UHFFFAOYSA-N	298.408	1.153	10	20	CDCD	
COc1cccc(O)c1CNCc1cc(C)ncn1	756991839	YYHPAUSUWHYTIT-UHFFFAOYSA-N	259.309	1.789	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1NC[C@@H]2C[C@@H]21	1261892479	MFOMQHXYCCATKZ-AEGPPILISA-N	273.380	1.319	10	20	CDCD	
CC(C)N(C(=O)C(=O)N(C)Cc1ccccc1O)C1CC1	1348157642	YBBLABMKNNCNFA-UHFFFAOYSA-N	290.363	1.750	10	20	CDCD	
CCN(CC)c1ccc(CN[C@](C)(CO)C(=O)O)cc1	1596288587	QRBAYKPXZPHGOJ-OAHLLOKOSA-N	280.368	1.458	10	20	CDCD	
CCOC[C@@H](NCc1ccc(N(C)C)cc1)C(=O)O	1776905782	BJYHHMNQFNXICO-CYBMUJFWSA-N	266.341	1.332	10	20	CDCD	
O=C1CN(Cc2ccc(N3CCCCC3)cc2)CCN1	160486600	GZCOUFBPIBDVOU-UHFFFAOYSA-N	273.380	1.609	10	20	CDCD	
CCS(=O)(=O)C[C@@H](C)NCc1ccc(N(C)C)cc1	113350722	MAUDBLPTMOXMFX-GFCCVEGCSA-N	284.425	1.665	10	20	CDCD	
CC(=O)NC1CCN(Cc2cc(F)ccc2O)CC1	180013022	OVZHIGBDTUKQBV-UHFFFAOYSA-N	266.316	1.632	10	20	CDCD	
COc1ccc(CN[C@H]2CCCS(=O)(=O)C2)c(O)c1	69140888	JHFXXYDQZDFIBY-NSHDSACASA-N	285.365	1.068	10	20	CDCD	
COc1ccc(O)c(CN[C@H]2CCCN(C)C2=O)c1	704348867	FVPFKLNYQAYYMM-LBPRGKRZSA-N	264.325	1.111	10	20	CDCD	
C[C@H](NCc1cc(F)cc(F)c1O)c1nncn1C	708494564	LYFJOMPGRVBRQO-ZETCQYMHSA-N	268.267	1.650	10	20	CDCD	
CCN(CC(=O)N(C)C)Cc1cc(F)cc(C(C)=O)c1O	50149357	HMBMMIHPXRRLLY-UHFFFAOYSA-N	296.342	1.644	10	20	CDCD	
COc1cccc(CNC(=O)[C@@H](C(C)C)N(C)C)c1O	106916193	UJAKGFPSQVCMMU-CYBMUJFWSA-N	280.368	1.603	10	20	CDCD	
COCCCS(=O)(=O)NCCSc1nccs1	177257561	HGDZWVGZFHIDPE-UHFFFAOYSA-N	296.439	1.191	10	20	CDCD	
O=C(c1c[nH]nn1)N(Cc1ccco1)Cc1ccccc1O	173672571	MKBPTRFQWWQJPB-UHFFFAOYSA-N	298.302	1.946	10	20	CDCD	
CN1CCN(Cc2cc(Cl)ccc2O)CC1=O	127349818	ZCCIMIXUEHJJKE-UHFFFAOYSA-N	254.717	1.320	10	20	CDCD	
CC[C@@H]1CN(C(=O)c2cccc(O)c2O)CCO1	126260457	LVZBTXILYDPCIW-SECBINFHSA-N	251.282	1.349	10	20	CDCD	
Cc1cccc(CN2CCNC(=O)[C@@H]2C(C)C)c1O	180042923	VRHLABUIBIQIKL-ZDUSSCGKSA-N	262.353	1.657	10	20	CDCD	
COCC(=O)N1CCN(c2ccc(OC)c(F)c2)CC1	84815185	FCTDKILDYTXDTE-UHFFFAOYSA-N	282.315	1.129	10	20	CDCD	
COc1ccc(CNC(C)(C)CC(N)=O)cc1C	227056009	DLPSPEYWIYVPAD-UHFFFAOYSA-N	250.342	1.747	10	20	CDCD	
COc1ccc(O)c(CN2CC[C@H](N)C[C@H]2C)c1	131457268	WXSGRLGZVMKQLB-PWSUYJOCSA-N	250.342	1.712	10	20	CDCD	
CC[C@@H](N)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	130403986	MWTDHBNNUDCNOC-IUODEOHRSA-N	291.395	1.438	10	20	CDCD	
C[C@@H](CN1CCCC1=O)NCc1cc2c(cc1O)OCO2	42880245	KXBVKFSRXUFNGH-JTQLQIEISA-N	292.335	1.221	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)NC[C@H](C)CCO)c1	273575653	LQZKXPYFLBJXHT-MNOVXSKESA-N	281.352	1.848	10	20	CDCD	
COc1cccc(CN2CC[S@](=O)[C@@H](C)[C@H]2C)c1O	271189263	KWRVMLMRPMGUBG-FDMGOTLNSA-N	283.393	1.742	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@@](C)(O)C2CC2)c1	804460210	IMEYJAUNCCBLGQ-PSLIRLAXSA-N	279.336	1.739	10	20	CDCD	
COCC1(CNC(=O)c2cccc(O)c2O)CCOCC1	293764051	XSKYLUUQXLOXIQ-UHFFFAOYSA-N	295.335	1.271	10	20	CDCD	
CC(C)[C@@H](CO)CNC(=O)/C=C\c1ccc(O)c(O)c1	805308992	COIWTHSLKKAFII-TXNVCOODSA-N	279.336	1.492	10	20	CDCD	
CCOC[C@@H](O)CNCCCSc1nccs1	819063981	REPSQAOPGCVERP-JTQLQIEISA-N	276.427	1.612	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@H](C)[C@H](C)N)c1	828667093	MUWMLNYRALWRCD-UTLUCORTSA-N	266.341	1.561	10	20	CDCD	
C[C@H](N)CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	829003745	PWRROVDAHJQGOL-JSGCOSHPSA-N	292.379	1.637	10	20	CDCD	
Cc1cc(O)c(CNC[C@H](C)S(C)(=O)=O)cc1Cl	825385215	VPITVHRFDUKKPD-VIFPVBQESA-N	291.800	1.877	10	20	CDCD	
CCO[C@@H]1COC[C@H]1N[C@@H](C)c1cc(OC)ccc1O	825197581	ZSRBOVOXAOXPRX-PSOPSSQASA-N	281.352	1.855	10	20	CDCD	
COCC(COC)NCc1ccc(N(C)C)c(F)c1	824921843	UAWIGKSLUQNMMR-UHFFFAOYSA-N	270.348	1.643	10	20	CDCD	
COc1cc(O)c(CN(C)[C@@H](C)C(=O)O)cc1OC	820775165	QSEFBFSGELXVPR-QMMMGPOBSA-N	269.297	1.314	10	20	CDCD	
Cc1nc(C)c(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)[nH]1	907275568	WAMFJQOYSRXWHM-QMMMGPOBSA-N	289.335	1.799	10	20	CDCD	
CN(CCOC1CC1)c1ccc(OCC(=O)O)cc1	903603180	MBFVGHFZAQCZJM-UHFFFAOYSA-N	265.309	1.765	10	20	CDCD	
CN(C(=O)/C=C\c1ccc(O)c(O)c1)c1cnn(C)c1	588407126	BSSOODWSICWJBM-XQRVVYSFSA-N	273.292	1.508	10	20	CDCD	
O=C(O)CC1CCN(C(=O)c2cc(O)cs2)CC1	738563149	LRSQZXYBVKBXMV-UHFFFAOYSA-N	269.322	1.781	10	20	CDCD	
CCN1C[C@@H](N[C@H](C)c2cccc(OC)c2O)CC1=O	846169768	TWMYBRYFDHFCPL-MNOVXSKESA-N	278.352	1.672	10	20	CDCD	
CCN(CCNC(=O)NCCc1ccc(N)cc1)C1CC1	841777496	FUAMYYGRXKLRGT-UHFFFAOYSA-N	290.411	1.595	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CCC(=O)C2)c1	843831776	REHBPCBLFCEKBY-UWVGGRQHSA-N	277.320	1.947	10	20	CDCD	
COc1cccc([C@H](C)NC[C@@H]2CNC(=O)C2)c1O	846167851	FSDQRPUOXKTPQW-VHSXEESVSA-N	264.325	1.188	10	20	CDCD	
C[C@H](NC(=O)NC[C@@H](C)C(=O)O)c1ccc(N(C)C)cc1	848581614	AYFDUUXIAQHNOM-MNOVXSKESA-N	293.367	1.834	10	20	CDCD	
COc1cc(O)c(CNC2COC(C)(C)OC2)cc1OC	758012063	JZQVCMFCOPNTNI-UHFFFAOYSA-N	297.351	1.651	10	20	CDCD	
COc1cccc([C@@H](C)NCCN(C)OC)c1O	850478692	WVZVWFFYBXMELT-SNVBAGLBSA-N	254.330	1.545	10	20	CDCD	
CN(C)c1ccc(CN2CC[C@@H](N3CCOC3=O)C2)cc1	852437801	HYKISHVRXPLAKJ-OAHLLOKOSA-N	289.379	1.779	10	20	CDCD	
Cn1cc(COC(=O)/C=C/c2ccc(O)c(O)c2)cn1	759595894	RVCXPDNFMNYFOB-HWKANZROSA-N	274.276	1.588	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)CN(C)[C@@H]2CCSC2)c1	862757832	FUZQHCNCYZGXOV-CYBMUJFWSA-N	294.420	1.754	10	20	CDCD	
CO[C@@H](CNCc1ccccc1O)C1CCOCC1	876995620	IDYXBNGMZONGPG-HNNXBMFYSA-N	265.353	1.923	10	20	CDCD	
CC[C@H](N[C@@H]1COCC[C@H]1O)c1ccc(N(C)C)cc1	866497836	MKQGVNRKFGCYNT-ARFHVFGLSA-N	278.396	1.943	10	20	CDCD	
CCN(CC)c1ccc(CNC[C@@H]2COCCN2)cc1F	863485586	MOYGHONHQXOOKV-CQSZACIVSA-N	295.402	1.750	10	20	CDCD	
CCOc1cccc(CN[C@@H]2CCC[C@@H]2C(=O)NC)c1O	765797243	RBBWRVFJLFEVNB-QWHCGFSZSA-N	292.379	1.795	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)NCC(F)(F)CO)c1	768286742	NVVAATKQALWUTH-MRVPVSSYSA-N	289.278	1.457	10	20	CDCD	
CC[C@@H](NCc1nnc2c(=O)[nH]ccn12)c1ccccc1O	878363007	OAOITQKFPRBRRR-LLVKDONJSA-N	299.334	1.364	10	20	CDCD	
C[C@@]1(CO)CCCN1C(=O)/C=C\c1ccc(O)c(O)c1	760095251	LMLIHNSHYHFFQN-VOKGJARPSA-N	277.320	1.484	10	20	CDCD	
CN(C(=O)CNC[C@H]1CCCO1)c1ccc(N)cc1	877078733	BWWUAPSCBDJGKC-CYBMUJFWSA-N	263.341	1.000	10	20	CDCD	
C[C@H](NC(=O)C(=O)NC1CC1)c1ccc(N(C)C)cc1	775406919	QGDFHQCVQNCBRK-JTQLQIEISA-N	275.352	1.208	10	20	CDCD	
C[C@@H](O)C(=O)N(Cc1ccco1)Cc1ccccc1O	787119681	DIXWAEMRWWUHPE-LLVKDONJSA-N	275.304	1.895	10	20	CDCD	
C[C@@H]1CCN2[C@@H](c3cc(F)cc(F)c3O)NC(=O)[C@H]2C1	887329358	FSFGLOBAGHMZOF-QUUYKZCZSA-N	282.290	1.899	10	20	CDCD	
C[C@]1(CO)CCCN1Cc1ccc(N2CCOCC2)cc1	789556566	CMOAQWDQOQOGHN-QGZVFWFLSA-N	290.407	1.870	10	20	CDCD	
Cc1ccc(O)c(CN2CC[C@H](C3OCCO3)C2)c1	896383750	DLQQVTJAQATGHY-LBPRGKRZSA-N	263.337	1.895	10	20	CDCD	
CCN1CCCC[C@@H]1C(=O)NCc1ccc(OC)cc1O	794369703	JXMFNNVRHYDCFA-CQSZACIVSA-N	292.379	1.891	10	20	CDCD	
COc1cc(CN2CC[C@H](S(C)(=O)=O)C2)c(O)cc1C	799951362	UMFJKWPUFMEQJM-LBPRGKRZSA-N	299.392	1.328	10	20	CDCD	
Oc1cc2c(cc1CNCCCn1ccnc1)OCO2	42879650	WFGYOABRXXJNFD-UHFFFAOYSA-N	275.308	1.497	10	20	CDCD	
COC(=O)N1CCCN(Cc2c(O)cccc2OC)CC1	1320494450	QORHIIDSJZWOHW-UHFFFAOYSA-N	294.351	1.675	10	20	CDCD	
CNC[C@@H](C)CNCc1cc2c(cc1O)OCO2	1327416186	PQUBELDCZRAHGE-SECBINFHSA-N	252.314	1.066	10	20	CDCD	
CC1(O)CCC(NC(=O)NCCc2ccc(N)cc2)CC1	1338408749	UEZJIHGMOQBBCP-UHFFFAOYSA-N	291.395	1.804	10	20	CDCD	
CS[C@@H](C)CNC(=O)NCc1ccc(N)cc1	1336862717	DBYPZAOTAGCMFO-VIFPVBQESA-N	253.371	1.820	10	20	CDCD	
Nc1ccc(CNC(=O)N2CC[C@H](CF)C2)cc1	1353531960	QUXQTBBVWBXWMQ-LLVKDONJSA-N	251.305	1.770	10	20	CDCD	
O=C(O)C[C@@]1(NCc2ccc(F)c(F)c2O)CCOC1	1601936821	RUSLSUFRNPSSRW-ZDUSSCGKSA-N	287.262	1.394	10	20	CDCD	
O=C(O)c1ccc(C(=O)NCc2c(O)cccc2F)o1	1608874596	MELPJGQXORUZDL-UHFFFAOYSA-N	279.223	1.753	10	20	CDCD	
CC[C@H](N)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C	1578231157	HOJMJDJJRHEFBC-DOMZBBRYSA-N	277.412	1.846	10	20	CDCD	
COc1ccc(N2CC[C@H](N[C@@H]3C[C@@H](N)C3(C)C)C2)cc1	1579224731	UPMGBNUUPTURHB-APHBMKBZSA-N	289.423	1.989	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])cc1	159143542	CMVWWRJXILHZLU-UHFFFAOYSA-N	289.295	1.314	10	20	CDCD	
CNC[C@@H]1CCCN(Cc2c(O)cccc2OC)C1	843044582	KFKWFMBMHIUXHU-LBPRGKRZSA-N	264.369	1.832	10	20	CDCD	
C[C@H](NC[C@@H]1CCCNC1=O)c1cc(F)ccc1O	840826348	UMUFMVKPVPWGIM-UWVGGRQHSA-N	266.316	1.708	10	20	CDCD	
C[C@H]1CCCN(C(=O)c2cccc(O)c2O)[C@@H]1C(=O)O	235633061	FCBFGYZZCZTYQX-KWQFWETISA-N	279.292	1.423	10	20	CDCD	
C[C@@H](NCC1([S@](C)=O)CC1)c1ccccc1O	282421704	SRTNNNUDQYIAOH-QGHHPUGFSA-N	253.367	1.954	10	20	CDCD	
O=C(NC[C@@H](O)c1ccsc1)c1cccc(O)c1O	187116197	MNAWAIJPYLWEBC-LLVKDONJSA-N	279.317	1.623	10	20	CDCD	
Cc1ccc(O)c(CNCCCN2CCN(C)CC2)c1	71406442	KAMOLWMGXKWBDT-UHFFFAOYSA-N	277.412	1.428	10	20	CDCD	
COc1ccc(N2CCN(CCN3CCCC3)CC2)cc1	58467572	RDTYGSMRMQFDEM-UHFFFAOYSA-N	289.423	1.913	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC[C@H]2CN(C)CCN2C)c1	68800740	VMARKXLLIVRCGL-STQMWFEESA-N	293.411	1.297	10	20	CDCD	
Cc1ccc(C(=O)NC[C@H]2CCCO2)c(O)c1O	177658867	POTUGFDVVOSNGT-SECBINFHSA-N	251.282	1.315	10	20	CDCD	
NC(=O)C[C@@H]1CCCN(Cc2cc(F)ccc2O)C1	180227511	LIFHYZRUKWZYNF-JTQLQIEISA-N	266.316	1.619	10	20	CDCD	
Cc1ccc(O)c(CN(C)[C@@H]2CCCCNC2=O)c1	123965055	BXQILSBSCLRYQV-CYBMUJFWSA-N	262.353	1.801	10	20	CDCD	
COC[C@H]1CN(Cc2cc(OC)ccc2O)C[C@@H](C)O1	188365995	VUTICPHZZHARPC-BXUZGUMPSA-N	281.352	1.637	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCCCO1	186406435	XCBYJGQLCYYYAB-IINYFYTJSA-N	279.336	1.714	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)Nc1cnns1	190787166	DUZBZBWGPBXDRY-UHFFFAOYSA-N	264.310	1.908	10	20	CDCD	
C[C@H](c1nnnn1C1CC1)N(C)Cc1ccccc1O	192102805	JPMQCZQBKQCNEI-SNVBAGLBSA-N	273.340	1.907	10	20	CDCD	
COCCCOCCN(C)Cc1ccc(N)cc1	232221011	YNLZMWHXZVFXLZ-UHFFFAOYSA-N	252.358	1.754	10	20	CDCD	
C=CC(=O)NCc1ccc(N2CCOCC2)c(F)c1	147624666	COFJGLLHZYEZGE-UHFFFAOYSA-N	264.300	1.465	10	20	CDCD	
O=C(/C=C\c1cccnc1)N1CCOc2ccncc21	255569476	IWARCPLDHMUUGE-ARJAWSKDSA-N	267.288	1.915	10	20	CDCD	
CC(C)OC(=O)[C@@H](C)N(C)Cc1cc2c(cc1O)OCO2	268489038	UTXCBZNKXRRBEH-SNVBAGLBSA-N	295.335	1.893	10	20	CDCD	
COc1cccc(CN2CC[S@@](=O)C[C@H](C)C2)c1O	277402707	HXGJTUMUQORACH-NSPYISDASA-N	283.393	1.601	10	20	CDCD	
CCOc1ccc(O)c(CN2CC(=O)NCC2(C)C)c1	800539134	OOIHPTIWWGSLCU-UHFFFAOYSA-N	278.352	1.501	10	20	CDCD	
O=C(NCc1ccccc1O)c1cc(C2CC2)[nH]n1	299590851	TUTQRVSAFNNVDR-UHFFFAOYSA-N	257.293	1.923	10	20	CDCD	
CCn1nc(C)c(CN(C)Cc2ccccc2O)n1	294628211	AFBMBXGCYPGDED-UHFFFAOYSA-N	260.341	1.944	10	20	CDCD	
Cc1cc(CN2CC[C@H](S(C)(=O)=O)C2)ccc1N(C)C	293988862	FILWWIJVKICKGR-AWEZNQCLSA-N	296.436	1.680	10	20	CDCD	
Oc1ccc(F)cc1CN[C@@H]1CCc2nnnn2CC1	817418981	NHULMPAIKBGWKQ-LLVKDONJSA-N	277.303	1.013	10	20	CDCD	
CCCN1C[C@@H](CNCc2ccc3c(c2)CCO3)CC1=O	817411055	LXLFTERJVIGNLF-CQSZACIVSA-N	288.391	1.970	10	20	CDCD	
CCOCC[C@H](O)CNCc1ccc2c(c1)CCO2	818997132	SGGGQPKZHLXMMD-AWEZNQCLSA-N	265.353	1.499	10	20	CDCD	
C[C@H](CC(N)=O)NCc1ccc2ccccc2c1O	816557476	RAXCWTHOEHZDBU-SNVBAGLBSA-N	258.321	1.899	10	20	CDCD	
CCn1nc(C)c(CNCc2ccc3c(c2)CCO3)n1	823752727	LJDQDDZYUHKUGS-UHFFFAOYSA-N	272.352	1.831	10	20	CDCD	
COC(=O)c1cnc(S[C@@H]2CCCCNC2=O)s1	829686925	ASWZPLFGAWILSY-SSDOTTSWSA-N	286.378	1.691	10	20	CDCD	
N[C@H](CC(=O)NCCCSc1nccs1)C1CC1	829528158	MHYCPDGZTZZLSQ-SNVBAGLBSA-N	285.438	1.869	10	20	CDCD	
CN(Cc1ccc(N2CCOCC2)cc1)C1(CO)CC1	827903747	NRSVQXVOLJUVIZ-UHFFFAOYSA-N	276.380	1.480	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCCC[C@@H]1CCO	821366691	OJBGNBVEGMBZJM-SECBINFHSA-N	255.339	1.831	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)C[C@@H]2CCNC2)c1	828666900	JWJAGARYYDKTMU-QWRGUYRKSA-N	278.352	1.578	10	20	CDCD	
O=C(O)[C@@H]1CC12CCN(C(=O)c1cc(O)cs1)CC2	739533409	BTVWEQMXKZBMGP-VIFPVBQESA-N	281.333	1.781	10	20	CDCD	
CCC[C@@H](NC(=O)c1ccc(C)c(O)c1O)C(=O)O	833649499	XIECMFBPVQFSQD-SECBINFHSA-N	267.281	1.389	10	20	CDCD	
O=[N+]([O-])c1cc(Cl)cc(CN[C@H](CO)CCF)c1O	846096971	KISZVBLGAXPILE-VIFPVBQESA-N	292.694	1.764	10	20	CDCD	
C[C@H]1CN(Cc2cc3c(cc2O)OCO3)[C@H](C)CN1	843119763	IROLQJLTTCHIBW-VHSXEESVSA-N	264.325	1.303	10	20	CDCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)N=c1nc[nH]n1C	846750925	ILRNZPNBSHUGFE-GFCCVEGCSA-N	273.384	1.655	10	20	CDCD	
CN[C@@H](C)C(=O)N(C)CCN(C)c1ccc(OC)cc1	848432155	ZTKNFUDBGIRJCK-LBPRGKRZSA-N	279.384	1.198	10	20	CDCD	
COc1cccc(CN[C@@H](CCN)C(F)F)c1O	841072922	CUUPTKUMBLEWAZ-VIFPVBQESA-N	260.284	1.473	10	20	CDCD	
CNC[C@@H]1CCCN(Cc2cc3c(cc2O)OCO3)C1	843045633	YKDIMLJAJDCAKD-NSHDSACASA-N	278.352	1.552	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CC[C@@H]1C(N)=O	847500312	ICSGKOMFUPZHDA-UONOGXRCSA-N	289.379	1.189	10	20	CDCD	
C[C@]1(CN)CCN(Cc2cc3c(cc2O)OCO3)C1	843117383	PCFPGQHWLZIZGX-CQSZACIVSA-N	264.325	1.292	10	20	CDCD	
Cc1cc(O)c(CNC[C@H](C)S(C)(=O)=O)cc1C	754084821	CRUAWLUFTCINMK-NSHDSACASA-N	271.382	1.532	10	20	CDCD	
CC[C@@H]1CC[C@@H](C(=O)NCc2cc(OC)ccc2O)O1	757383076	SWEMFRIZDNNOSJ-RISCZKNCSA-N	279.336	1.975	10	20	CDCD	
CC(C)n1nnc(NC(=O)N(C)Cc2ccccc2O)n1	933469543	DIVIEGDISGIEFU-UHFFFAOYSA-N	290.327	1.624	10	20	CDCD	
Oc1cccc(Br)c1CN1CC[C@H](O)C1	862225634	YOZBXZNEABWZMD-QMMMGPOBSA-N	272.142	1.721	10	20	CDCD	
C[C@@H](NC(=O)c1cnc(O)n1C)c1ccc(N(C)C)cc1	867504255	UTLBTLPUCSEUSI-SNVBAGLBSA-N	288.351	1.683	10	20	CDCD	
CCCN1CC(NC(=O)c2ccc(N=NC(N)=O)cc2)C1	1031459083	LCIRGOZCVFCEMC-UHFFFAOYSA-N	289.339	1.673	10	20	CDCD	
CN(CCNCc1cc(F)ccc1O)CC(F)F	862549632	CHCNXYOHIHZMCX-UHFFFAOYSA-N	262.275	1.818	10	20	CDCD	
C[C@@H]1OCC[C@H]1COC(=O)c1cccc(O)c1O	869476482	CSKRGELXDRCAMF-IUCAKERBSA-N	252.266	1.680	10	20	CDCD	
Cc1ccc(CN2CCC[C@@H](CS(C)(=O)=O)C2)c(O)c1	877547977	BMOUEEBPNXFPBN-CYBMUJFWSA-N	297.420	1.957	10	20	CDCD	
Cc1ccc(CN2CC[C@@H](C)C[C@H]2C(N)=O)c(O)c1	877437052	UEXIIDUHKLCDNO-YPMHNXCESA-N	262.353	1.786	10	20	CDCD	
Cc1ccc(CN(CCS(C)(=O)=O)C(C)C)c(O)c1	876773205	OHFWCVYLUYKBFR-UHFFFAOYSA-N	285.409	1.956	10	20	CDCD	
CCO[C@@H]1C[C@](N)(C(=O)N(C)c2ccc(N)cc2)C1(C)C	877077279	BIXKDZXCIICQPK-CJNGLKHVSA-N	291.395	1.764	10	20	CDCD	
CO[C@H]1CCN(C(=O)c2cc(O)cs2)C[C@H]1C	1118704296	AKTGCKVQFGQING-SCZZXKLOSA-N	255.339	1.951	10	20	CDCD	
C[C@H](NC(=O)[C@@H]1CCC(=O)N1C)c1ccc(N(C)C)cc1	773021138	YXTSENDIBNBDBA-FZMZJTMJSA-N	289.379	1.551	10	20	CDCD	
Cc1nc[nH]c1C(=O)NCc1ccc(N(C)C)cc1	873829549	SPVGEIHVMSAMQD-UHFFFAOYSA-N	258.325	1.714	10	20	CDCD	
C[C@@H](NC(=O)N(C)C1CC(O)C1)c1ccc(N(C)C)cc1	776248414	ZZSLDHSCPYCLPP-VCANKDNSSA-N	291.395	1.978	10	20	CDCD	
COc1cccc(O)c1CN1CC[C@@H](C)C[C@H]1C(N)=O	779203711	HRGPNBSFLUZCAL-PWSUYJOCSA-N	278.352	1.487	10	20	CDCD	
Oc1c(F)cc(Cl)cc1CNC[C@@H]1COCCO1	776033441	HRKMYASKOIGKSN-SNVBAGLBSA-N	275.707	1.690	10	20	CDCD	
Cc1nnc(CNC(=O)NCc2ccc(N)cc2)s1	1120571882	VISBLWPMQIMLEW-UHFFFAOYSA-N	277.353	1.428	10	20	CDCD	
COc1ccc(CNCCNC(=O)C(C)(F)F)cc1C	1122531836	IZUBSGUSVZNDKD-UHFFFAOYSA-N	286.322	1.865	10	20	CDCD	
CN1CCCN(CCCNCc2cc(F)ccc2O)CC1	894377834	IEFYVSIXJYTCGC-UHFFFAOYSA-N	295.402	1.649	10	20	CDCD	
COc1ccc(CNCCN2CCC2)c(O)c1OC	893178828	IOBBTGMOIDUMQP-UHFFFAOYSA-N	266.341	1.205	10	20	CDCD	
NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1cc(O)cs1	788014853	ZJCSPEUSVBCIML-ARENWVFISA-N	280.349	1.180	10	20	CDCD	
COc1ccc(CN2CC[C@](C)(O)C2)c(O)c1OC	892186546	XYDKZEXTDDGICP-AWEZNQCLSA-N	267.325	1.366	10	20	CDCD	
CC[C@@H](C)[C@@H](OC)C(=O)NCCc1ccc(O)c(O)c1	793681298	NQGIDEDMYBYDRB-QMTHXVAHSA-N	281.352	1.818	10	20	CDCD	
CCc1cccc(CNC[C@@]2(OC)CCOC2)c1O	691438505	PDUUDPGUOGZEMH-HNNXBMFYSA-N	265.353	1.850	10	20	CDCD	
c1cc(N2CCCC2)ccc1CN[C@H]1[C@@H]2CNC[C@@H]21	1325320268	ORKUJOYGLSHQIJ-ZSHCYNCHSA-N	257.381	1.594	10	20	CDCD	
OCc1ccc(CNCc2ccc3c(c2)CCO3)o1	742368532	IUKHIRKOFXFZJC-UHFFFAOYSA-N	259.305	1.997	10	20	CDCD	
C[C@H]1CN(C2CCOCC2)CCN1Cc1ccc(N)cc1	1336117941	RALYEOQKTLZSRF-AWEZNQCLSA-N	289.423	1.954	10	20	CDCD	
COc1cc(C)cc(CN[C@@H](CCO)CSC)c1O	1331534323	UBYUODUPKZKATO-LBPRGKRZSA-N	285.409	1.913	10	20	CDCD	
O=C(NCc1cccc(O)c1O)C1CCC(O)CC1	1348045051	AEKBYSLIOFQRSQ-UHFFFAOYSA-N	265.309	1.265	10	20	CDCD	
Cc1cc(C[C@@H](C)NC(=O)NCc2ccc(N)cc2)n[nH]1	1262578375	OPZLMFLTJNKOLT-SNVBAGLBSA-N	287.367	1.731	10	20	CDCD	
Nc1ccc(CNC(=O)N2CCC[C@@H](CO)C2)cc1	1346738742	KAOAKSOFCJEENW-GFCCVEGCSA-N	263.341	1.183	10	20	CDCD	
C[C@@H]1CN(Cc2c(O)cccc2Cl)C[C@@H](C(=O)O)O1	1607438007	OPMCYZBPBIXAHJ-PELKAZGASA-N	285.727	1.720	10	20	CDCD	
CC(C)(C)[C@@H](C(=O)O)C(=O)NCc1c(O)cccc1O	1602852811	QNVPRTFMFOWDRE-LLVKDONJSA-N	281.308	1.461	10	20	CDCD	
Cn1cccc1[C@H]1COCCN1C(=O)Cc1ccc(N)cc1	1579973920	GEXRVVHAHBFFEO-MRXNPFEDSA-N	299.374	1.750	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCC12CNC2	1579617356	NZBDXIJGOBFUIW-UHFFFAOYSA-N	288.395	1.318	10	20	CDCD	
O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@@H]1CCN1	1580713589	CUTRVTVIJFMJBY-AWEZNQCLSA-N	286.379	1.224	10	20	CDCD	
CC[C@@H](C(=O)O)C(=O)N[C@@H](C)c1ccccc1O	1594757554	GHOAQLFUPITVRV-DTWKUNHWSA-N	251.282	1.680	10	20	CDCD	
CN(C)c1ccc2c(c1)CN(C[C@@H](O)CC(=O)O)CCC2	1777041202	LRHIMTOGKNPITK-HNNXBMFYSA-N	292.379	1.336	10	20	CDCD	
CCn1cc(C(=O)NCc2ccccc2O)c(C)n1	860234325	SFZJUUAVRNSOEH-UHFFFAOYSA-N	259.309	1.847	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)c1ccc2nncn2c1	156626261	FWCVXSIEAFGIGI-UHFFFAOYSA-N	298.302	1.113	10	20	CDCD	
Nc1ccc(CCNS(=O)(=O)CCC2CCC2)cc1	261580538	FOFXUUBNMOFZBV-UHFFFAOYSA-N	282.409	1.921	10	20	CDCD	
COc1cccc(CNCC2([S@@](C)=O)CCC2)c1O	280521699	BBZCCXAYUGLUKE-LJQANCHMSA-N	283.393	1.792	10	20	CDCD	
Cc1ccc([C@H](C)NCCCNS(C)(=O)=O)c(O)c1	184921247	OHHHHZNMPRMZOD-NSHDSACASA-N	286.397	1.291	10	20	CDCD	
Oc1c(F)cc(F)cc1CNCCc1cn[nH]c1	708516187	FOCOCZVVWMDSTC-UHFFFAOYSA-N	253.252	1.726	10	20	CDCD	
Cc1nnc(NCCc2ccc(O)c(O)c2)s1	753565635	ZYLLXCQAMCEDBM-UHFFFAOYSA-N	251.311	1.912	10	20	CDCD	
Nc1ccc(CC(=O)N2CC[C@H](N3CCCC3)C2)cc1	62973059	FZEWDKANLDFEGF-HNNXBMFYSA-N	273.380	1.508	10	20	CDCD	
Oc1cc2c(cc1CN1CC[C@@H](N3CCCC3)C1)OCO2	66081025	VZXSZBWFMAFHPW-CYBMUJFWSA-N	290.363	1.791	10	20	CDCD	
Cc1cc(C)c(C(=O)NCc2ccc(O)c(O)c2)[nH]1	182541600	MAWCDWSVBMJUNT-UHFFFAOYSA-N	260.293	1.973	10	20	CDCD	
CC(C)[C@@H](C(=O)NCCc1ccc(O)c(O)c1)N(C)C	122635275	DOISTRDRCDBXMR-AWEZNQCLSA-N	280.368	1.343	10	20	CDCD	
C[C@H](N)[C@H]1CCCN(C(=O)Cc2ccc(N)cc2)C1	237416927	JREKUJULAVBIBA-AAEUAGOBSA-N	261.369	1.397	10	20	CDCD	
O=C(N[C@H]1COc2ccccc2C1)c1cccc(O)c1O	188188053	DVJSNTMQRKIRTB-LLVKDONJSA-N	285.299	1.831	10	20	CDCD	
CC(=O)N[C@H](C(=O)Nc1ccc(N)cc1)C1CCCC1	236682270	BIMHVCSISFGEFJ-AWEZNQCLSA-N	275.352	1.902	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC[C@@H]2COCCN2)c1	530221046	CDJXSGGXRRAGND-GHMZBOCLSA-N	266.341	1.040	10	20	CDCD	
C[C@H]1c2nncn2CCN1Cc1cc(F)ccc1O	276868203	YCOPWSQHZCKPTD-VIFPVBQESA-N	262.288	1.700	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)[C@H](F)C(F)(F)F	278908846	QMNRLHQNESDWSG-VIFPVBQESA-N	281.205	1.657	10	20	CDCD	
COC(=O)[C@@H](NCc1cc(F)cc(C(C)=O)c1O)C1CC1	276258260	AQALJKZIJWIGGH-ZDUSSCGKSA-N	295.310	1.775	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)c1cc2n(n1)CCC2	294771258	GATWOMIBBWGEQV-UHFFFAOYSA-N	271.320	1.807	10	20	CDCD	
CC(=O)C(=O)CN1C(=O)[C@@H](C)N(c2ccc(F)cc2)C1=O	808016785	VWTZJQIWCLMZRT-MRVPVSSYSA-N	292.266	1.141	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccon1	808097236	WKHIZLZVXQGCRS-UHFFFAOYSA-N	267.281	1.796	10	20	CDCD	
C[C@@H]1C[C@@H](C)N(Cc2cc3c(cc2O)OCO3)C[C@@H]1CN	817864848	DVDKCQBQSNGVOB-WZRBSPASSA-N	292.379	1.926	10	20	CDCD	
CO[C@@H](C)CCC(=O)NCc1ccc(O)cc1O	824250240	JSXOVVSUSWUEBK-VIFPVBQESA-N	253.298	1.529	10	20	CDCD	
CN(CC(=O)N1CCOc2cc(N(C)C)ccc21)C(=O)O	828096190	ZCNSBMWRTWLSHD-UHFFFAOYSA-N	293.323	1.088	10	20	CDCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@H]1C[C@@H](O)C1	823664377	VZPJMOXKYRUMSP-DUVNUKRYSA-N	290.407	1.879	10	20	CDCD	
COc1ccc(O)c(CNC(=O)N[C@H](C)CCN(C)C)c1	734066923	HORVQLFVKCONCX-LLVKDONJSA-N	295.383	1.540	10	20	CDCD	
C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)c1cc(O)cs1	733366294	PYCFSEMJEGZHAH-HTQZYQBOSA-N	291.394	1.347	10	20	CDCD	
COc1ccc(O)c(CN2CCC([C@H](O)C(=O)O)CC2)c1	833733919	VPYHBONKEVBDBL-AWEZNQCLSA-N	295.335	1.058	10	20	CDCD	
COC[C@H](O)CSc1ncc(C(=O)OC)s1	834383012	QSRATDCCXAINQK-LURJTMIESA-N	263.340	1.029	10	20	CDCD	
CCOC(=O)[C@@H](CC)C(=O)NCc1ccc(OC)cc1O	839747185	FMVUCSUUNAPGSO-LBPRGKRZSA-N	295.335	1.606	10	20	CDCD	
CN(C)c1ccc([C@H](N)CNC(=O)[C@]2(C)CCOC2)cc1	911667932	UNKLDIXERKPFGR-GDBMZVCRSA-N	291.395	1.295	10	20	CDCD	
C[C@@H](C(=O)NCc1cc(Cl)ccc1O)n1cncn1	846474128	ZVSHYGABDQTQSA-QMMMGPOBSA-N	280.715	1.515	10	20	CDCD	
NCC(F)(F)CNCc1c(O)cccc1Cl	841059927	MSTUSRVCOVNPCO-UHFFFAOYSA-N	250.676	1.729	10	20	CDCD	
COc1cccc(CNC(=O)NC[C@@H]2CCCNC2)c1O	841924301	WQQRDNOKYQPURL-LLVKDONJSA-N	293.367	1.200	10	20	CDCD	
CCOC(=O)C(C)(C)CC(=O)NCc1ccc(O)cc1O	910946118	HYYLJPIMYYDTNV-UHFFFAOYSA-N	295.335	1.693	10	20	CDCD	
CN(C)c1ccc([C@H](N)CNC(=O)Cc2ccncc2)cc1	844163025	SHJRYUTZTRFSPL-MRXNPFEDSA-N	298.390	1.506	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)NCCCNC1CC1	841918620	QRLLTCOYIBVVHL-UHFFFAOYSA-N	277.368	1.676	10	20	CDCD	
CCc1cccc(CN[C@@]2(CC(=O)OC)CCOC2)c1O	848902675	GFWQZHPPPISCMZ-MRXNPFEDSA-N	293.363	1.766	10	20	CDCD	
CC(=O)c1cc(F)cc(CN[C@@H]2C[C@H](O)C2(C)C)c1O	846960191	MVFOSGNPWAMLRL-OLZOCXBDSA-N	281.327	1.983	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NCc2ocnc2C)c1	923792438	NHQFZFILOASZIG-UHFFFAOYSA-N	275.308	1.996	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CCCCN2)c1	843489693	RZQJCSVXCUMTEP-GXFFZTMASA-N	278.352	1.720	10	20	CDCD	
CCO[C@H]1COCC[C@@H]1NCc1cc(C)ccc1O	759174002	SVOXJLYXRBBGSX-ZFWWWQNUSA-N	265.353	1.984	10	20	CDCD	
CCOCCOCCOC(=O)c1cccc(O)c1O	922619107	AIFVQPRCEMDFRB-UHFFFAOYSA-N	270.281	1.308	10	20	CDCD	
Cc1nc(C)c(C(=O)NCCc2ccc(O)c(O)c2)[nH]1	857159494	QKWYGZJXYDMEMK-UHFFFAOYSA-N	275.308	1.410	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)C(C)(C)n1ccc(N)n1	852816797	GKJACZBECNSYEM-UHFFFAOYSA-N	288.351	1.565	10	20	CDCD	
C[C@H](NC[C@]1(O)CCN(C)C1)c1cc(Cl)ccc1O	762786896	LOTUVXLAHPINMI-IINYFYTJSA-N	284.787	1.763	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@]1(C)CCOC1	935947941	ILFJZJZRYNFEBH-HNNXBMFYSA-N	284.352	1.921	10	20	CDCD	
COc1ccc(O)c(CNC(=S)NCc2ccon2)c1	764476506	XBWSHYWFBQLBIH-UHFFFAOYSA-N	293.348	1.553	10	20	CDCD	
C[C@@H]1CCN(S(=O)(=O)N[C@H](C)c2ccccc2O)C1	867835009	ZDLFXXSVHSRGMC-GHMZBOCLSA-N	284.381	1.629	10	20	CDCD	
C[C@H](C(=O)NCc1ccc(N2CCOCC2)cc1)N(C)C	874154685	JSVLXVKGXZKOGO-CYBMUJFWSA-N	291.395	1.090	10	20	CDCD	
Cc1cccc(O)c1CN[C@@H]1CCc2nnnn2CC1	877597074	YSCYYFWYBKFOSQ-LLVKDONJSA-N	273.340	1.182	10	20	CDCD	
CCN1CC(N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1	1044355025	NCTQTDDKNLATDN-UHFFFAOYSA-N	289.339	1.625	10	20	CDCD	
C[C@H](CO)[C@H]1CCCCN1C(=O)NCc1ccc(N)cc1	1120676783	CFVUAMVFHPPSAC-IUODEOHRSA-N	291.395	1.961	10	20	CDCD	
OC[C@@H](NCc1cc(F)cc(F)c1O)[C@H]1CCCOC1	883146516	PDLJCBHIYLEZAQ-TVQRCGJNSA-N	287.306	1.548	10	20	CDCD	
CNC(=O)[C@H]1CCCN(Cc2cc(F)cc(F)c2O)C1	894019996	KHDVSZUBLXRQGK-VIFPVBQESA-N	284.306	1.628	10	20	CDCD	
COc1cc(C)cc(CN2CCC[C@H](CC(N)=O)C2)c1O	894075467	GCWSMMGFFCNMKL-GFCCVEGCSA-N	292.379	1.797	10	20	CDCD	
Cc1ccc(CN2[C@H](C)C(=O)N[C@@H](C)[C@H]2C)c(O)c1	895123556	YMDXJKMWBXPYIQ-QJPTWQEYSA-N	262.353	1.798	10	20	CDCD	
CC(=O)N[C@@H]1CCN(Cc2ccc(N3CCCC3)cc2)C1	1204328561	JINOYWXKHZQEME-MRXNPFEDSA-N	287.407	1.997	10	20	CDCD	
COc1ccc(CNC(=O)NCCOCC2CC2)c(O)c1	792922073	MWELAXZVEJRCAY-UHFFFAOYSA-N	294.351	1.627	10	20	CDCD	
COc1cc(C)cc(CN[C@H](C)C[C@@H](C)O)c1O	894437953	UACHTHDKCCDHPU-GHMZBOCLSA-N	253.342	1.958	10	20	CDCD	
COC[C@@H](C)CC(=O)NCc1ccc(OC)cc1O	794381851	VDISTBYQLVAAFI-JTQLQIEISA-N	267.325	1.690	10	20	CDCD	
Cc1ccc(O)c([C@@H](C)NCCC(=O)N(C)C)c1	37751859	SLQXYFPUUZSARD-LLVKDONJSA-N	250.342	1.830	10	20	CDCD	
COCCN1CC[C@@H](N[C@H](C)c2ccc(F)cc2O)C1	273572578	KZNUUFVNENWGFF-DGCLKSJQSA-N	282.359	1.903	10	20	CDCD	
CCN1CCC[C@@H](NCc2cc(C)ccc2O)C1=O	722349101	XWZXXIWTCFTNCE-CYBMUJFWSA-N	262.353	1.801	10	20	CDCD	
CCCn1cc(C(=O)NCc2ccc(O)c(O)c2)c(C)n1	1337135267	FMNLVPFNOPFUDP-UHFFFAOYSA-N	289.335	1.943	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1CC12CCC2	1331655319	LBGKZXUIKGUWGB-ZDUSSCGKSA-N	288.347	1.409	10	20	CDCD	
CC(C)(C)NC(=O)N1CCN(Cc2ccc(N)cc2)CC1	1334775493	ZOCQUAYRIKOTBD-UHFFFAOYSA-N	290.411	1.895	10	20	CDCD	
C[C@@H]1COCC[C@H]1CNC(=O)NCc1ccc(N)cc1	1346646442	DZUAQTICEZZRMA-YPMHNXCESA-N	277.368	1.741	10	20	CDCD	
CN(C)c1cccc(CNC(=O)NCc2ccc(N)cc2)n1	1353377399	JAHFDVZVJLONME-UHFFFAOYSA-N	299.378	1.729	10	20	CDCD	
Cc1cccc(CN2CC[C@@](F)(C(=O)O)C2)c1O	1600532479	JRYHWVIFWOZLTP-ZDUSSCGKSA-N	253.273	1.699	10	20	CDCD	
C[C@H](N[C@@H]1C=CCC1)c1cccc(-c2nn[nH]n2)c1O	1589952016	MYMNYXYZPVEEHV-VHSXEESVSA-N	271.324	1.942	10	20	CDCD	
C[C@H](NCCCCCO)c1cccc(-c2nn[nH]n2)c1O	1589963417	WWEKHHBBZGOBIV-JTQLQIEISA-N	291.355	1.386	10	20	CDCD	
Nc1ccc(CNCCNC(=O)c2cccs2)cc1	1580445670	OSAQTNXNYBTSRQ-UHFFFAOYSA-N	275.377	1.850	10	20	CDCD	
C[C@@H](NCc1cc[nH]n1)c1cc(C(=O)O)ccc1O	1593291669	AUARADRUIOWVOT-MRVPVSSYSA-N	261.281	1.664	10	20	CDCD	
CC(C)c1ccc(O)c(CN2C[C@@H](O)C[C@@H]2C(=O)O)c1	1591973611	DIKQIMNPADNBOY-QWHCGFSZSA-N	279.336	1.535	10	20	CDCD	
COCCN(C/C=C\C(=O)O)c1ccc(OC)c(OC)c1	1777209991	RGEIAELOAPKXBY-PLNGDYQASA-N	295.335	1.797	10	20	CDCD	
COc1ccc(O)c(CNC(=O)NOCC(C)C)c1	159870410	PQRYAZNFIQDYFF-UHFFFAOYSA-N	268.313	1.788	10	20	CDCD	
CC(C)CN1CCN(C(=O)c2cccc(O)c2O)CC1	126387710	CWWWOODVCQRFIT-UHFFFAOYSA-N	278.352	1.512	10	20	CDCD	
C[C@@](O)(CNCc1cc2c(cc1O)OCO2)C(F)(F)F	270556716	OHXGZDVCQDJBRZ-LLVKDONJSA-N	293.241	1.524	10	20	CDCD	
COc1cccc(CN(C)[C@@H]2CCN(C)C2=O)c1O	271187930	KMXLFRHWQURZMV-LLVKDONJSA-N	264.325	1.063	10	20	CDCD	
COc1ccc(N2CCN(CCCO)CC2)cc1F	84866154	AKFAAGBVPFSGPF-UHFFFAOYSA-N	268.332	1.339	10	20	CDCD	
Nc1ccc(CC(=O)NC[C@@H](CC2CC2)C(=O)O)cc1	405349401	NBFCXIIWYYRTKT-GFCCVEGCSA-N	276.336	1.428	10	20	CDCD	
CNC(=O)C[C@H](C)N[C@@H](C)c1ccc(N(C)C)cc1	323076467	XUJGZYQZDYNCPR-RYUDHWBXSA-N	263.385	1.928	10	20	CDCD	
Cn1cnnc1[C@@H]1CCCN1Cc1ccc(N)cc1	381935052	XRQSSODETUYBHH-ZDUSSCGKSA-N	257.341	1.734	10	20	CDCD	
CCOC(=O)[C@@H]1C[C@H]1C(=O)NCc1ccccc1O	934935604	KWCHBMCDQSFWJZ-GHMZBOCLSA-N	263.293	1.208	10	20	CDCD	
C[C@@H](O)CNC(=O)NCc1ccc2c(c1)CCCN2C	57650264	SUBIJTSCFYWMKK-LLVKDONJSA-N	277.368	1.249	10	20	CDCD	
O=C(O)[C@@H]1CCCN1C(=O)/C=C\c1ccc(O)c(O)c1	210698938	QXEBSJWHWIIVGU-OAQKJQOQSA-N	277.276	1.187	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1ccn(C)c(=O)c1	115282220	INHOIBAHQJNGOD-UHFFFAOYSA-N	299.374	1.690	10	20	CDCD	
CC[C@@H](C)NC(=O)CN(C)c1ccc2c(c1)OCO2	178882361	KVBDCVCSGXEIMW-SNVBAGLBSA-N	264.325	1.766	10	20	CDCD	
Nc1ccc(CCNC(=O)[C@@H]2CCCS2)cc1	70435464	RWZKHVSWMJPISL-LBPRGKRZSA-N	250.367	1.823	10	20	CDCD	
CC(=O)N[C@H]1CCCN(C(=O)CSc2nccs2)C1	77652154	YDPJDFOLBBABRA-JTQLQIEISA-N	299.421	1.362	10	20	CDCD	
Cc1ccc([C@@H](C)NC[C@H](C)N2CCN(C)CC2)c(O)c1	185365700	ZUXPYOCBWWVITQ-LSDHHAIUSA-N	291.439	1.987	10	20	CDCD	
CCOCC(=O)N(C)Cc1ccc(N(C)C)cc1	70247677	RDQQERGJFLRSJK-UHFFFAOYSA-N	250.342	1.748	10	20	CDCD	
CC[C@H]1C(=O)NCCN1Cc1cc(OC)ccc1O	180037076	HRNDCIJEURIXBR-LBPRGKRZSA-N	264.325	1.111	10	20	CDCD	
CS(=O)(=O)CCN(Cc1cc(F)ccc1O)C1CC1	180230975	YTMBGILYNJLHPU-UHFFFAOYSA-N	287.356	1.540	10	20	CDCD	
Cc1ccc(O)c(CN(C)[C@H]2CCS(=O)(=O)C2)c1	132401179	CKJAHXIGFLQPTE-LBPRGKRZSA-N	269.366	1.320	10	20	CDCD	
CCCCN1CC(=O)N[C@H]1c1cc(OC)ccc1O	77475017	BCSSDTBSEPNAFE-CQSZACIVSA-N	264.325	1.631	10	20	CDCD	
Cc1cccc(CN[C@@H](C)c2nnnn2C2CC2)c1O	191834404	SIHDNZATYMQGNS-JTQLQIEISA-N	273.340	1.873	10	20	CDCD	
CCOC(=O)NCC(=O)N(C)Cc1ccccc1O	194616205	YZGWTLHIJSCEDO-UHFFFAOYSA-N	266.297	1.097	10	20	CDCD	
FC(F)COCCNCc1ccc2c(c1)CCO2	190898644	IMTQSGJSKFXOJW-UHFFFAOYSA-N	257.280	1.993	10	20	CDCD	
C[C@@H](CN1CCOCC1)NCc1cc([N+](=O)[O-])ccc1O	237505439	PNYSDEYHPBUDCQ-NSHDSACASA-N	295.339	1.111	10	20	CDCD	
CCC(=O)N1CCCN(Cc2cc(OC)ccc2O)CC1	373222299	BOGSRRUVQYPQNM-UHFFFAOYSA-N	292.379	1.845	10	20	CDCD	
Oc1ccc(CCN=c2[nH]cnc3c2CCCC3)cc1O	370567507	CFZRDGCXOOYDGE-UHFFFAOYSA-N	285.347	1.843	10	20	CDCD	
CCCOc1ccc(CN[C@H]2CCC(=O)N[C@H]2C)c(O)c1	282325745	LHKBBMCIQJTIJJ-FZMZJTMJSA-N	292.379	1.938	10	20	CDCD	
O=C(NCc1ccccc1O)C1CCN(CC(F)F)CC1	283371688	JOGSQOXLDXSGPU-UHFFFAOYSA-N	298.333	1.986	10	20	CDCD	
CCN(Cc1cc(C)c(C)cc1O)[C@@H]1CCNC1=O	281821997	RDDTYWWLCSTXSO-CYBMUJFWSA-N	262.353	1.719	10	20	CDCD	
Cc1cc(CN2C[C@@H](C(N)=O)O[C@H](C)C2)ccc1N(C)C	292677730	BPNOONYBPGGFLZ-DOMZBBRYSA-N	291.395	1.136	10	20	CDCD	
COCCCNC(=O)[C@@H](C)Sc1nccs1	299007670	AORUDPFBRNEVJO-MRVPVSSYSA-N	260.384	1.776	10	20	CDCD	
CC(C)N1C[C@@H](N[C@H]2CCc3cccc(O)c32)CC1=O	296840458	MYAKHTLQNMFXHD-STQMWFEESA-N	274.364	1.978	10	20	CDCD	
CCn1nc(C)c(C(=O)NCc2cc(OC)ccc2O)n1	815834976	HDKMXCKYHNYBJG-UHFFFAOYSA-N	290.323	1.251	10	20	CDCD	
CO[C@H]1CCC[C@@H](C(=O)NCc2ccc(O)c(O)c2)C1	815836332	ZIOWBTACILEAAK-NEPJUHHUSA-N	279.336	1.919	10	20	CDCD	
Cc1cc(C)c([C@@H](C)NC[C@H]2CNCCO2)c(O)c1	817982525	DUHKMIMRXAONCC-CHWSQXEVSA-N	264.369	1.648	10	20	CDCD	
COC(=O)[C@H]1CN(Cc2cc(Cl)c(C)cc2O)CCO1	824710674	XVDPOWJJYFZRJK-CYBMUJFWSA-N	299.754	1.728	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)COCCN	828145122	YXCWZDUTSOKHFS-UHFFFAOYSA-N	266.341	1.106	10	20	CDCD	
COc1cc(O)c(CN(C)CCC(=O)O)cc1OC	820775073	KCUHODOOJOHFKJ-UHFFFAOYSA-N	269.297	1.316	10	20	CDCD	
COC(=O)[C@H]1C[C@H](NCc2ccc(N(C)C)cc2)C1	827812141	DDVQIKIBDCUOPO-JOCQHMNTSA-N	262.353	1.794	10	20	CDCD	
CC(=O)O[C@H]1CCCN(C(=O)c2c(F)ccc(O)c2O)C1	827217429	FNZOTPMATZEPPJ-VIFPVBQESA-N	297.282	1.405	10	20	CDCD	
CN(C)c1ccc(CNC(C)(C)C(=O)O)cc1F	901490358	VFBXTRWUKFYJSQ-UHFFFAOYSA-N	254.305	1.845	10	20	CDCD	
CCCOc1ccccc1NC[C@@H](O)C[C@@]1(O)CCOC1	905301745	SCCJRFRLBXPEMX-BBRMVZONSA-N	295.379	1.790	10	20	CDCD	
CCOc1ccc(O)c(CN2C[C@@H]3CCNC[C@@H]3C2)c1	904421364	ZUQKTUGCWIQMKV-GXTWGEPZSA-N	276.380	1.832	10	20	CDCD	
C[C@@H]1C[C@H](CNC(=O)c2c(F)ccc(O)c2O)[C@@H](C)O1	839844401	GVCPMUPYDCNALH-IWSPIJDZSA-N	283.299	1.780	10	20	CDCD	
COc1cc(C)cc(CN2CCC[C@@H](C(N)=O)C2)c1O	915830589	RKBWWEKNNJQJGO-LLVKDONJSA-N	278.352	1.407	10	20	CDCD	
NC(=O)NC(=O)CCSc1ncc(Cl)s1	849999606	UTSASCVMLOESIP-UHFFFAOYSA-N	265.747	1.474	10	20	CDCD	
CCN(C)C[C@H](O)CN[C@@H](C)c1ccc(N(C)C)cc1	846860666	LMNVHKKTKHGDBT-XJKSGUPXSA-N	279.428	1.716	10	20	CDCD	
COc1ccc(NC(=O)NCc2ccc(O)c(O)c2)cn1	745997779	KQPMPLCTGCFDCS-UHFFFAOYSA-N	289.291	1.823	10	20	CDCD	
C[C@@H](O)C[C@@H](C)NC(=O)NCCc1ccc(N)cc1	841960315	MFRIIVGZGJSGPT-GHMZBOCLSA-N	265.357	1.270	10	20	CDCD	
CC(C)[C@@H](N)CCN(C)Cc1cc2c(cc1O)OCO2	843056456	KLMNFNNDTCYYKS-LBPRGKRZSA-N	280.368	1.926	10	20	CDCD	
COc1cccc([C@@H](C)NCC2([S@@](C)=O)CC2)c1O	846169208	YLEPSGPLXGATRU-GIGQVBGESA-N	283.393	1.963	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@H]2CO[C@H](C)C2)c1O	843431796	DSYVIHIFNVQZQG-PSASIEDQSA-N	282.296	1.576	10	20	CDCD	
COc1cc(O)c(CN[C@H](CN)C(C)(C)C)cc1OC	841086979	GSXLRKITYPFUEU-CQSZACIVSA-N	282.384	1.872	10	20	CDCD	
CCN(C)c1ccc(Cn2cnnc2[S@](C)=O)cc1	747809450	SGFRBCZAGUPJQM-IBGZPJMESA-N	278.381	1.520	10	20	CDCD	
CCCN1CC(=O)N[C@@H]1c1cc(C(=O)OC)ccc1O	840825534	WOVWWHNRUFTTOQ-ZDUSSCGKSA-N	278.308	1.019	10	20	CDCD	
COc1cc(O)c(CNC2(C)CCNCC2)cc1OC	841065727	TZJBHWTWKXZZPI-UHFFFAOYSA-N	280.368	1.641	10	20	CDCD	
COCC[C@@H](C)CNC(=O)/C=C\c1ccc(O)c(O)c1	840493831	HZFMRVDZOMTKRI-VLWUPBBWSA-N	279.336	1.900	10	20	CDCD	
CC[C@H](NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)O	929044271	LIDPLWCLTYDZKM-GWCFXTLKSA-N	293.367	1.976	10	20	CDCD	
C[C@@H](NCCN1CCOC[C@H]1C)c1cc(F)ccc1O	756537401	YPZIZDFMQYYFHA-VXGBXAGGSA-N	282.359	1.903	10	20	CDCD	
COc1cccc(O)c1CN1C[C@@H]2CCC[C@]2(N)C1	857226528	QNMLAYQGMUXPGL-NHYWBVRUSA-N	262.353	1.714	10	20	CDCD	
Cc1nnc(COC(=O)c2ccc(C)c(O)c2O)o1	750618700	KCYWSIXZJRFLRP-UHFFFAOYSA-N	264.237	1.455	10	20	CDCD	
Cc1ccc(C(=O)N[C@]2(C)CCO[C@H]2C)c(O)c1O	753069096	XOOZZEAHHQGWDG-LKFCYVNXSA-N	265.309	1.704	10	20	CDCD	
Cc1ccnn1CC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	860697092	NMNIRTLSTPHKJF-JTQLQIEISA-N	289.335	1.350	10	20	CDCD	
C[C@@H](NC(=O)NCc1ccn(C)n1)c1ccccc1O	868462948	VRSUQSPCLXMLKP-SNVBAGLBSA-N	274.324	1.686	10	20	CDCD	
COc1ccc(O)c(CN[C@H](C)[C@@H](O)C(F)(F)F)c1	877693631	MKNNOIYURWYVOO-RDDDGLTNSA-N	279.258	1.802	10	20	CDCD	
C[C@@H](C(=O)NCc1ccc(O)c(O)c1)c1cnn(C)c1	778917480	CXEGTHZLNGFDIE-SECBINFHSA-N	275.308	1.251	10	20	CDCD	
C[C@@H](NCCS(=O)(=O)N(C)C)c1c(O)cccc1F	886612254	HDTDCXNTKBPTSY-SECBINFHSA-N	290.360	1.073	10	20	CDCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1C[C@H]1F	1120990037	DLHAPHGNYOHMOE-VXGBXAGGSA-N	296.317	1.637	10	20	CDCD	
COc1ccc(CNC[C@@H](O)C(F)(F)F)c(O)c1OC	892668785	MWGUPXZKHJCIOD-SECBINFHSA-N	295.257	1.422	10	20	CDCD	
C[C@@H]1NC(=O)[C@H](C)N(Cc2ccc(N(C)C)cc2)[C@H]1C	895114556	MOWQATDBZOKKQN-AVGNSLFASA-N	275.396	1.850	10	20	CDCD	
COc1ccc(CNC(=O)C2CCC(O)CC2)c(O)c1	794387872	NZOHTSPJLOCKLJ-UHFFFAOYSA-N	279.336	1.568	10	20	CDCD	
N[C@H](C(=O)NCc1ccccc1O)C1CCCCC1	83456487	UPVNMFKTJNCAJF-AWEZNQCLSA-N	262.353	1.916	10	20	CDCD	
CO[C@@]1(C(F)(F)F)CCN(C(=O)CN=[N+]=[N-])C1	409429582	HPRCKUAMYCIJNF-ZETCQYMHSA-N	252.196	1.477	10	20	CDCD	
CS(=O)(=O)C1CCN(C(=O)c2cc(O)cs2)CC1	1327765768	HUYICFMSBPUXJP-UHFFFAOYSA-N	289.378	1.103	10	20	CDCD	
C[C@H](CO)c1nnc(N(C)Cc2ccccc2O)n1C	1339542577	VPUXWSAFXVPIQN-SNVBAGLBSA-N	276.340	1.253	10	20	CDCD	
C[C@H](CCCO)NCc1ccc(N2CCOCC2)cc1	94942645	URZOJFHVIBYDDD-CQSZACIVSA-N	278.396	1.774	10	20	CDCD	
C[C@H](CO)C1CCN(C(=O)NCc2ccc(N)cc2)CC1	1335727091	YSKBPHILQURRKS-GFCCVEGCSA-N	291.395	1.819	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)C(=O)NCCC(C)(C)F	1331084999	JPDPIXKAZAYFPN-UHFFFAOYSA-N	296.342	1.605	10	20	CDCD	
COC(=O)CCN1CC[C@@H](Sc2nccs2)C1=O	1333275979	HTOLRZXHWZMNKB-MRVPVSSYSA-N	286.378	1.399	10	20	CDCD	
CO[C@H](C1CC1)[C@@H](C)NC(=O)NCc1ccc(N)cc1	1262582924	JRVJHGFAFZAJAI-YGRLFVJLSA-N	277.368	1.882	10	20	CDCD	
C[C@H]1CN(Cc2ccc(N)cc2)CCS(=O)(=O)C1	1345159521	JPNCKXHCPSKTMT-NSHDSACASA-N	268.382	1.135	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN(C)CCNS(C)(=O)=O	1345078173	RVWMCDWAFYVIFE-UHFFFAOYSA-N	299.440	1.042	10	20	CDCD	
CCOC(=O)NCCC(=O)NCc1ccc(N)cc1	1346210416	QRNHBPWXHJLGCH-UHFFFAOYSA-N	265.313	1.021	10	20	CDCD	
O=C(O)c1cccc(COC(=O)c2cccc(O)c2O)n1	1602439907	ZBZBBTTZEZTZOM-UHFFFAOYSA-N	289.243	1.548	10	20	CDCD	
O=C(NCc1ccccc1O)Nc1cccc(C(=O)O)n1	1601543733	BMEPCKKVYZSPMI-UHFFFAOYSA-N	287.275	1.807	10	20	CDCD	
CC[C@@H](C(=O)O)C(=O)N1CCOc2cc(N(C)C)ccc21	1609886554	ASKJRACDCSMTCY-LLVKDONJSA-N	292.335	1.589	10	20	CDCD	
O=C(O)c1ccc(NCCc2ccc(O)c(O)c2)nc1	1610835044	IKIAWHLVISEGGT-UHFFFAOYSA-N	274.276	1.846	10	20	CDCD	
CN(C)c1ccc(OC[C@H]2CCOC2)cc1C(=O)O	1598328495	PCUXVMDWPXNTBK-JTQLQIEISA-N	265.309	1.866	10	20	CDCD	
CCN1CCc2cc(CNC[C@@H](F)C(=O)O)ccc21	1776877755	UTRKDAXHVJCSAS-GFCCVEGCSA-N	266.316	1.581	10	20	CDCD	
NCCC(=O)NCc1ccc(N2CCSCC2)cc1	165424534	NCTSJPRZSIEZKJ-UHFFFAOYSA-N	279.409	1.205	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NCC(=O)NCC(F)F)c1	271858537	SYFJMPXFEDCJJO-MRVPVSSYSA-N	288.294	1.433	10	20	CDCD	
Cc1noc(CCC(=O)NCCc2ccc(N)cc2)n1	701118265	DBVFUPCIEXTXGR-UHFFFAOYSA-N	274.324	1.252	10	20	CDCD	
CC(C)CNC(=O)CN[C@@H]1CCc2cccc(O)c21	311780996	YLQOZRRGEAUFIM-GFCCVEGCSA-N	262.353	1.741	10	20	CDCD	
CCOc1cccc(CN2C[C@H](C)NC[C@@H]2C)c1O	86466838	UIMLWAXVMLUOHF-RYUDHWBXSA-N	264.369	1.973	10	20	CDCD	
COC[C@@](C)(O)CN[C@@H]1CCc2cccc(O)c21	382568224	OXWZXBQWGHHBON-RISCZKNCSA-N	251.326	1.367	10	20	CDCD	
COc1ccc(O)c(CNC[C@H]2CCCCS2(=O)=O)c1	694602915	DNTYBZHQDODDQM-CYBMUJFWSA-N	299.392	1.458	10	20	CDCD	
CCOC[C@H]1CN(Cc2c(O)cccc2OC)CCO1	862501965	YHYBDTZDWCMABQ-GFCCVEGCSA-N	281.352	1.638	10	20	CDCD	
C[C@@H](NCCO)c1ccc(Br)cc1O	134910972	QMEGJGITQCHGOC-SSDOTTSWSA-N	260.131	1.798	10	20	CDCD	
COc1ccc(N2CCN(CCNCC3CC3)CC2)cc1	57864924	YWIPVQGALGWTJA-UHFFFAOYSA-N	289.423	1.817	10	20	CDCD	
CCNC(=O)[C@H](C)N[C@@H](C)c1ccc(F)cc1O	62745937	IQPZNEMIJJTMKQ-IUCAKERBSA-N	254.305	1.707	10	20	CDCD	
COc1cccc(CN(CCO)C2CCN(C)CC2)c1O	305194241	KSFXUIPVBQTLPC-UHFFFAOYSA-N	294.395	1.289	10	20	CDCD	
COc1ccc(O)c(CNC(=O)NCc2ccoc2)c1	172072378	NAMJOSPJWCBHKX-UHFFFAOYSA-N	276.292	1.993	10	20	CDCD	
CCCCNC(=O)CN(C)c1ccc2c(c1)OCO2	121257847	ZHYQITQXGYFNLU-UHFFFAOYSA-N	264.325	1.768	10	20	CDCD	
CCOc1cccc(CN(C)CCCNC)c1O	124792524	GBCTXNSXNLZQDB-UHFFFAOYSA-N	252.358	1.832	10	20	CDCD	
CC[C@@H](COC)NC(=O)NCc1cccc(OC)c1O	74370794	MZKALTRUCJTBCX-NSHDSACASA-N	282.340	1.625	10	20	CDCD	
CCN1CCN(Cc2cccc(OC)c2O)[C@@H](C)C1	289199482	BGEJDIODZMINOR-LBPRGKRZSA-N	264.369	1.927	10	20	CDCD	
COC(=O)C1(C(=O)N(C)Cc2ccccc2O)CC1	134893207	FYDWNTHZBCWHCB-UHFFFAOYSA-N	263.293	1.304	10	20	CDCD	
COc1ccc(N2CCN(C(=O)CN(C)C)CC2)cc1F	134116841	HUUNKZYXVBOCCY-UHFFFAOYSA-N	295.358	1.045	10	20	CDCD	
CC(C)Oc1ccc(N(C)CCNS(C)(=O)=O)cc1	191579683	PNPOWBKSDNOMLR-UHFFFAOYSA-N	286.397	1.459	10	20	CDCD	
Nc1ccc(CC(=O)N2CC[C@@H](CN3CCCC3)C2)cc1	237895226	YBDQIYLCFICGQQ-HNNXBMFYSA-N	287.407	1.756	10	20	CDCD	
CN(CCO)C(=O)NCc1ccc(N(C)C)c(F)c1	271083053	RYNYUVLTEDSXKY-UHFFFAOYSA-N	269.320	1.025	10	20	CDCD	
COCCO[C@@H]1CCN(Cc2cc3c(cc2O)OCO3)C1	275627310	SSRUISICRREGPW-GFCCVEGCSA-N	295.335	1.358	10	20	CDCD	
COC(=O)[C@@H](C)N(C)C(=O)c1ccc(C)c(O)c1O	281464591	CEEZPNKOWGXATP-MRVPVSSYSA-N	267.281	1.040	10	20	CDCD	
CN1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(O)c1O	718962759	UJDDPDCWJXTEHQ-WDEREUQCSA-N	276.336	1.407	10	20	CDCD	
Cc1ccc(C(=O)N2CCCC[C@@H]2C(=O)O)c(O)c1O	821064096	RJQWCZBUCCKTKF-SNVBAGLBSA-N	279.292	1.486	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)C[C@@H]1COCCN1	829764414	KMSDNGVFFXRDOH-CQSZACIVSA-N	291.395	1.056	10	20	CDCD	
CCOc1ccc(CN2CCC[C@@H]2C(N)=O)c(O)c1	824959451	HFPVOWQTGLSVDX-GFCCVEGCSA-N	264.325	1.241	10	20	CDCD	
C[C@@H](NC(=O)[C@@H]1CCC(=O)N1C)c1ccccc1O	827941882	ZGRZHWVHPBMYHN-KOLCDFICSA-N	262.309	1.190	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)NCc2cocn2)c1	730829644	GXFUZJAZDSNJIS-SECBINFHSA-N	291.307	1.949	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CO[C@@H](C)C2)c1	827612841	OYBAWDGVLGQPDY-GARJFASQSA-N	294.351	1.938	10	20	CDCD	
O=C(CCO)NCc1cc(Cl)cc(Cl)c1O	902936274	OSBRGTVJUGGGFS-UHFFFAOYSA-N	264.108	1.698	10	20	CDCD	
Nc1ccc(CCNC(=O)CC[C@H]2CCNC2)cc1	832659134	NUKXYZLIIATNQB-ZDUSSCGKSA-N	261.369	1.317	10	20	CDCD	
O=C(NCc1ccccc1O)Nc1nnc2ccccn12	735568063	BQOPITMOXTZDPE-UHFFFAOYSA-N	283.291	1.757	10	20	CDCD	
COC(=O)[C@H]1C[C@@H](C)CCN1C(=O)c1cc(O)cs1	832417182	DEJGBRCEUBCQKJ-WCBMZHEXSA-N	283.349	1.867	10	20	CDCD	
COc1cccc(CNC2(CO)CCSCC2)c1O	839176102	FZDFNXOINHWBTR-UHFFFAOYSA-N	283.393	1.749	10	20	CDCD	
N[C@H]1C[C@@H](C(=O)NCCCSc2nccs2)C1	843439998	VICWCTMEIVSRCB-DTORHVGOSA-N	271.411	1.479	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)N[C@@H](CO)CCF)c1	846210374	ZIWKYPWKFGIASL-MWLCHTKSSA-N	285.315	1.550	10	20	CDCD	
Cn1cccc1CNC(=S)NCC(F)(F)F	743061585	LPMWBPLZHBJAPH-UHFFFAOYSA-N	251.277	1.552	10	20	CDCD	
CCN1C(=O)C(C)(C)N[C@@H]1c1cccc(F)c1O	840838975	UZBKNSZKAHKLQM-NSHDSACASA-N	252.289	1.760	10	20	CDCD	
CCc1cccc(CNC[C@H]2CC(=O)N(CC)C2)c1O	848918777	LUPOLQYGQITSLD-GFCCVEGCSA-N	276.380	1.913	10	20	CDCD	
COc1ccc(N(C)CCN(C)S(=O)(=O)C2CC2)cc1	845988384	UNYXYUJSZGWINJ-UHFFFAOYSA-N	298.408	1.555	10	20	CDCD	
COC(=O)[C@@H](C)N[C@H](C)c1ccc(N2CCOCC2)cc1	743472807	KHEQTYZTHMNKET-CHWSQXEVSA-N	292.379	1.735	10	20	CDCD	
CCOC(=O)[C@@H](C)[C@@H](C)NC(=O)Nc1ccc(N)cc1	841297197	NHIOEYCXVCDVDI-VHSXEESVSA-N	279.340	1.978	10	20	CDCD	
c1cc(N2CCOCC2)ccc1CN[C@@H]1CCCNCC1	841057379	JUNYHAVEHHEIAE-MRXNPFEDSA-N	289.423	1.755	10	20	CDCD	
CCCN(Cc1cc2c(cc1O)OCO2)[C@@H]1CCNC1	843052952	QFJBUERZXILCSZ-GFCCVEGCSA-N	278.352	1.695	10	20	CDCD	
NC(=O)CCCC(=O)NCc1cc(Cl)ccc1O	846472492	KRHYNCLWTOYRGR-UHFFFAOYSA-N	270.716	1.317	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)NC[C@H]1COCO1	923857746	XLBRVZLUKHMTKD-ZDUSSCGKSA-N	294.351	1.687	10	20	CDCD	
CCN(CC)CCOCCNCc1ccccc1O	757945363	GHWGEVOJBQVRKZ-UHFFFAOYSA-N	266.385	1.840	10	20	CDCD	
Cc1ccc(C(=O)N2CCc3ncncc3C2)c(O)c1O	923030068	GOZZAJSVLLVZEA-UHFFFAOYSA-N	285.303	1.395	10	20	CDCD	
COC[C@@H](CCO)NCc1cc(F)c(N(C)C)cc1F	858143839	YEUYDQGHBRGVQF-LLVKDONJSA-N	288.338	1.518	10	20	CDCD	
COCCCCNC(=O)NCc1cc(C)ccc1O	858143731	SVUFWDKMVUSLEX-UHFFFAOYSA-N	266.341	1.926	10	20	CDCD	
C[C@H](N[C@H](C)C[S@@](C)=O)c1cc([N+](=O)[O-])ccc1O	757656677	LJOIBFVZNDFYFN-BLBZPCKPSA-N	286.353	1.718	10	20	CDCD	
CCOc1ccc(CN[C@H]2COC[C@H]2C)c(O)c1	922641458	LTCBOJNBBFDEHM-MFKMUULPSA-N	251.326	1.915	10	20	CDCD	
C[C@H](NC[C@H]1CN(C)CCN1C)c1cc(F)cc(F)c1O	756568396	DRTQIKDJKYSATF-JQWIXIFHSA-N	299.365	1.567	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@@H]2CCc3ncncc3C2)c1	862754537	FSMFDAHGVVZAJY-GFCCVEGCSA-N	297.358	1.912	10	20	CDCD	
Cc1cccc(O)c1CN1CCC[C@@H](NS(C)(=O)=O)C1	876581444	JUGKKZXNUQCSJA-GFCCVEGCSA-N	298.408	1.214	10	20	CDCD	
C[C@@H]1[C@H](O)CCN1Cc1ccc(N2CCC(O)CC2)cc1	877572981	VAHJXLVWYYKACP-CXAGYDPISA-N	290.407	1.603	10	20	CDCD	
O=[N+]([O-])c1ccc(O)c(CN[C@@H]2CCCC23OCCO3)c1	883178602	AFOSSPDFDOERRC-CYBMUJFWSA-N	294.307	1.686	10	20	CDCD	
COCCOCCn1cc(COc2ccc(N)cc2)nn1	881199791	DEJKBWODKBAUGK-UHFFFAOYSA-N	292.339	1.102	10	20	CDCD	
COc1cc(O)c(CN[C@H](C)c2ncn(C)n2)cc1OC	783706577	PSOVYBHAZNLXGB-SECBINFHSA-N	292.339	1.389	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@H](N)C[C@H]1C	891564954	NOADHEBTGFAXST-TZMCWYRMSA-N	290.411	1.692	10	20	CDCD	
COc1ccc(CN2CC[C@H](O)[C@@H](C)C2)c(O)c1OC	893712254	QOSRSVFXYZHLQX-JQWIXIFHSA-N	281.352	1.612	10	20	CDCD	
COc1cc(C)cc(CN2CC[C@H](C)[C@@H]2CO)c1O	894535225	XIDUTNCLMSYFAP-AAEUAGOBSA-N	265.353	1.912	10	20	CDCD	
Cc1ccc(C(=O)N2C[C@H](O)Cc3ccccc32)c(O)c1O	790159327	YCNMGUXDSPFSDM-GFCCVEGCSA-N	299.326	1.970	10	20	CDCD	
COC(C)(C)CN(C)C(=O)NCc1ccc(N)cc1	1335737699	SCOAGVHMQBEIRD-UHFFFAOYSA-N	265.357	1.835	10	20	CDCD	
Nc1ccc(CC(=O)N2CCC(C(=O)O)CC2)cc1	40471505	ZOQIWZSRDPIBPT-UHFFFAOYSA-N	262.309	1.135	10	20	CDCD	
CC1(O)CCC(NC(=O)c2cccc(O)c2O)CC1	703549047	MVXPNKIEJUGIPG-UHFFFAOYSA-N	265.309	1.521	10	20	CDCD	
COCCNCCNCc1ccc(N2CCCC2)cc1	1327416072	NBEDPYOGRXMBEB-UHFFFAOYSA-N	277.412	1.612	10	20	CDCD	
C[C@H](CC(N)=O)NCc1c(O)cccc1Br	706883661	UCWDVEMWFJQPLD-SSDOTTSWSA-N	287.157	1.508	10	20	CDCD	
CCc1cccc(CN[C@@H]2CCS(=O)(=O)C2)c1O	709453359	CHRUNABUCGCAKK-GFCCVEGCSA-N	269.366	1.231	10	20	CDCD	
CCN1CCN(Cc2c(O)cccc2OC)C[C@@H]1C	769379548	BNYBWJBVDMYSTE-LBPRGKRZSA-N	264.369	1.927	10	20	CDCD	
COCC[C@H](NCc1ccc2c(c1)CCO2)C(=O)O	1332221786	ISAYFZDFSYQUKU-LBPRGKRZSA-N	265.309	1.201	10	20	CDCD	
COc1ccc(CNCC2(O)CCCC2)c(O)c1OC	1333722893	BMDCLFSTVABEPN-UHFFFAOYSA-N	281.352	1.804	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N2CC[C@@H](CCN)C2)cc1	1356548958	XADDXULJSPSDSV-CQSZACIVSA-N	290.411	1.633	10	20	CDCD	
C[C@H](NCc1cncn1C)c1cccc(-c2nn[nH]n2)c1O	1603670350	FICYKYLEEBQKBW-VIFPVBQESA-N	299.338	1.157	10	20	CDCD	
COc1ccc(CNCc2ccoc2C(=O)O)c(O)c1	1607260403	MLZBFGXLTYERQU-UHFFFAOYSA-N	277.276	1.982	10	20	CDCD	
C[C@H](C(=O)O)N(C(=O)Cc1ccc(O)c(O)c1)C1CCC1	1589477461	RUPUDQCDFDPKKI-SECBINFHSA-N	293.319	1.495	10	20	CDCD	
COC[C@](C)(CC(=O)O)NCc1ccc2c(c1)CCCO2	1599149700	NSSUABXTEHTLTF-INIZCTEOSA-N	293.363	1.981	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@@]1(O)CCSC1	158076372	SDKHUHSJUYDABK-CYBMUJFWSA-N	267.350	1.219	10	20	CDCD	
Cn1cc(/C=C/C(=O)N2CCOc3cccc(F)c32)cn1	157442765	FAROCMZENJGPIR-AATRIKPKSA-N	287.294	1.998	10	20	CDCD	
C[C@@H](NCCO[C@H]1CCOC1)c1ccccc1O	927083098	DRYVCYSETSYAMK-NEPJUHHUSA-N	251.326	1.848	10	20	CDCD	
CN1CCN(C(=O)Cc2ccc(N)cc2)CC1(C)C	104132056	QAEKIONFHRDGHZ-UHFFFAOYSA-N	261.369	1.364	10	20	CDCD	
CC(=O)NCCN(C)Cc1cc(F)cc(C(C)=O)c1O	308176687	FOLHRSYAPKTFTQ-UHFFFAOYSA-N	282.315	1.302	10	20	CDCD	
O=C1CN(Cc2ccccc2O)[C@H]2CCCC[C@H]2N1	179565392	YWEYGBVSNFBVEF-OLZOCXBDSA-N	260.337	1.635	10	20	CDCD	
Cc1cc(C(=O)N2CCN[C@H](C)C2)c(C)n1-c1ccccn1	188468640	LOSKYMCJLKBRPU-GFCCVEGCSA-N	298.390	1.923	10	20	CDCD	
COc1ccc(N(C)Cc2nnnn2C2CC2)c(OC)c1	132249563	VWORQMSXHYWTGA-UHFFFAOYSA-N	289.339	1.662	10	20	CDCD	
COc1cccc(CN[C@@H](CCO)C(C)C)c1O	230690051	SAHGYRNIJDIZKL-LBPRGKRZSA-N	253.342	1.897	10	20	CDCD	
COc1cc(O)c(CN[C@H]2C[C@H]3CC[C@H]2NC3)cc1OC	530246381	NLVCUYUUGLREFN-RTXFEEFZSA-N	292.379	1.640	10	20	CDCD	
C[C@@H](CO)CNC(=O)NCc1ccc(N2CC=CC2)cc1	265852364	ASPSJRUMAATFQD-CYBMUJFWSA-N	289.379	1.490	10	20	CDCD	
CCc1nc([C@@H](C)NC(=O)c2ccc(C)c(O)c2O)n[nH]1	273068731	ZRXXLPIYVKOMED-MRVPVSSYSA-N	290.323	1.578	10	20	CDCD	
CN(CCC(=O)OC(C)(C)C)C(=O)c1cccc(O)c1O	279316053	OWJAEONZAOFEHO-UHFFFAOYSA-N	295.335	1.902	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H](CC)OC	808095575	KGHYUZFLUOKXEB-NSHDSACASA-N	272.341	1.919	10	20	CDCD	
COc1cccc(CNC(=O)NC[C@H](OC)C2CC2)c1O	297583974	UKAPLLJIMLTWPP-ZDUSSCGKSA-N	294.351	1.625	10	20	CDCD	
COCCNCCN[C@@H]1C[C@H](C)c2c(F)ccc(O)c21	817964470	DVXUNRRJAUCTSY-CMPLNLGQSA-N	282.359	1.905	10	20	CDCD	
COc1ccc(O)c(CNc2cncc(-n3cncn3)n2)c1	811806173	LFWZBTNQUHVVLS-UHFFFAOYSA-N	298.306	1.384	10	20	CDCD	
O=C(CCc1ncccn1)NCc1ccccc1O	812489759	COEDXMXOWJCMRS-UHFFFAOYSA-N	257.293	1.431	10	20	CDCD	
C[C@@H]1C[C@@H](CO)CN(Cc2cc3c(cc2O)OCO3)C1	817412050	BUZGNPVEKLVEHM-GHMZBOCLSA-N	279.336	1.571	10	20	CDCD	
CCN(CC[S@@](C)=O)c1ccc(OC)c(OC)c1	828162780	NULRCZFBRXGVRF-GOSISDBHSA-N	271.382	1.909	10	20	CDCD	
CCOc1ccc(O)c(CN2CCC[C@@H]2C(=O)O)c1	820387715	XKYFOWTUKUMBPN-GFCCVEGCSA-N	265.309	1.840	10	20	CDCD	
C[C@H]1CN(Cc2cccc(Cl)c2O)C[C@@H](C)N1CCO	824925881	HVGXJGNNGAFTAB-TXEJJXNPSA-N	298.814	1.933	10	20	CDCD	
C[C@@H](NC(=O)CN1CCCCC1=O)c1ccccc1O	827922953	FJTPLPBNGULODM-LLVKDONJSA-N	276.336	1.582	10	20	CDCD	
CCO[C@@H]1COC[C@H]1N[C@H](C)c1ccc(F)cc1O	834905251	UYHPLQIBJNZHDU-GAJTVXKRSA-N	269.316	1.986	10	20	CDCD	
CC[C@@H]1OCC[C@H]1NCc1cc([N+](=O)[O-])ccc1O	839190856	AJEGJEREGNYGQF-YPMHNXCESA-N	266.297	1.958	10	20	CDCD	
Cc1ccc(C(=O)NCc2ncc3c(n2)CCC3)c(O)c1O	909673077	QMSNWKVALBNONV-UHFFFAOYSA-N	299.330	1.615	10	20	CDCD	
CN1CCCC[C@@H]1C(=O)NCc1ccc(O)cc1O	910954613	LPJCWCQNDRLLLE-GFCCVEGCSA-N	264.325	1.198	10	20	CDCD	
COc1cc(Cl)cc(CNCC(F)(F)CN)c1O	841059344	BIFXTZVHQMKMLI-UHFFFAOYSA-N	280.702	1.738	10	20	CDCD	
COC(=O)COc1ccc(N(C)CCCN)cc1	841020111	JSELJKKCIGSSQQ-UHFFFAOYSA-N	252.314	1.023	10	20	CDCD	
CCc1cccc(CN2CC[C@@H](S(=O)(=O)NC)C2)c1O	848888949	DSFYZCIUNFBUBB-CYBMUJFWSA-N	298.408	1.078	10	20	CDCD	
COc1cc(O)c(CN[C@H](C)C[C@@H](C)N)cc1OC	843129903	TXNWOVDXNAOZIZ-NXEZZACHSA-N	268.357	1.625	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)[C@@]1(Cl)C[C@H]2CC[C@H]1O2	910955441	FCCPOIYADZVJLC-MPKXVKKWSA-N	297.738	1.643	10	20	CDCD	
O=C(NCc1ccccc1O)c1ccc2nc(O)[nH]c2c1	748345291	CZVXCQLSUYNQIN-UHFFFAOYSA-N	283.287	1.904	10	20	CDCD	
COC(C)(C)CNC(=O)NCc1cc(C)ccc1O	858253845	NAQJYMFBVWFGIP-UHFFFAOYSA-N	266.341	1.925	10	20	CDCD	
C[C@@H](CNCc1ccc(N(C)C)c(F)c1)S(C)(=O)=O	754086338	XDFOGIWNHWBLFW-JTQLQIEISA-N	288.388	1.414	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(O)ncn1	858199508	LBBKKJWIVGIQRB-UHFFFAOYSA-N	286.335	1.520	10	20	CDCD	
COc1ccc(O)c(CN[C@@H](C)[C@@H](O)C(F)(F)F)c1	877693632	MKNNOIYURWYVOO-WRWORJQWSA-N	279.258	1.802	10	20	CDCD	
CCOc1ccc(N(C)CC(=O)N=S(C)(C)=O)cc1	878124133	HEFTZBPBDRYDEX-UHFFFAOYSA-N	284.381	1.776	10	20	CDCD	
CCn1c(-c2sccc2O)nnc1N1CC(C)(OC)C1	1121762990	IEESGFBXQOLWPB-UHFFFAOYSA-N	294.380	1.957	10	20	CDCD	
C[C@H](O)C[C@H](C)NCc1cc([N+](=O)[O-])ccc1O	782977131	BYRGPUZEFNGFMW-IUCAKERBSA-N	254.286	1.549	10	20	CDCD	
CO[C@H]1CN(C(=O)NCc2ccc(N)cc2)CC[C@H]1C	1120592477	YOSKERKRTLOQLC-RISCZKNCSA-N	277.368	1.835	10	20	CDCD	
COc1cccc(O)c1CNCC[C@@H](O)C1CC1	898206009	JQKKGCKGEONPPN-GFCCVEGCSA-N	251.326	1.651	10	20	CDCD	
COc1ccc(CN2CCC[C@@H](C(N)=O)C2)c(O)c1OC	891395627	UYXKOUWIEJQPNQ-LLVKDONJSA-N	294.351	1.107	10	20	CDCD	
Cc1ccc(C)n1-c1ccsc1C(=O)NOCCO	787294412	OMAHCNRQKWMVOF-UHFFFAOYSA-N	280.349	1.809	10	20	CDCD	
Cc1noc(C(=O)NCc2ccc3c(c2)CCCN3C)n1	791342147	XKECGDQDBDCZDU-UHFFFAOYSA-N	286.335	1.690	10	20	CDCD	
CCN(CC(=O)N(C)C)Cc1cccc(OC)c1O	133210602	YGVOIDLTUUGBAE-UHFFFAOYSA-N	266.341	1.311	10	20	CDCD	
Cc1cccc(O)c1CNCCO[C@@H]1CCOC1	897201739	MFZLRVOCHVAGKT-GFCCVEGCSA-N	251.326	1.596	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NCC(C)(C)C(N)=O)c1	186220403	YINIDERFVARCHB-SECBINFHSA-N	266.341	1.563	10	20	CDCD	
C[C@@H](NC(=O)c1cccc(O)c1O)[C@H]1CCCCO1	279753092	CRYOPRWEZOKMKU-BXKDBHETSA-N	265.309	1.785	10	20	CDCD	
CC[C@H](C)[C@H](O)CNCc1ccc(OC)c(OC)c1O	1334951710	LKQAISYONXWKSS-CMPLNLGQSA-N	283.368	1.906	10	20	CDCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CNCCN	1340178601	CGQKQVPFCKJBRJ-UHFFFAOYSA-N	292.427	1.038	10	20	CDCD	
C[C@@H](NC(=O)CC(C)(C)C)C(=O)NCc1ccc(N)cc1	1346209058	DMAVLQJMYSAGMK-LLVKDONJSA-N	291.395	1.826	10	20	CDCD	
CC1CCN(C(=O)C(=O)NCc2ccc(N)cc2)CC1	1356228010	MYBDKJQWYGGASP-UHFFFAOYSA-N	275.352	1.144	10	20	CDCD	
O=C(O)[C@H]1CCCN1Cc1cc(F)c(F)cc1O	1606453521	ZYULDMCFTAMAGH-SNVBAGLBSA-N	257.236	1.719	10	20	CDCD	
CCN(C)C[C@H](O)CSc1ncc(C(=O)O)s1	1605407521	CEZQPCPBRBDYQW-ZETCQYMHSA-N	276.383	1.246	10	20	CDCD	
C[C@@H](CC(=O)O)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	1609755267	ZBNHXGGVNHNUIT-DTWKUNHWSA-N	281.308	1.256	10	20	CDCD	
CC1=S=C(C(=O)Nc2ccc(-c3nnnn3C)cc2)C=C1	1539166899	UXGKHSLMMDAYJV-UHFFFAOYSA-N	299.359	1.483	10	20	CDCD	
O=C(NCc1cccc(O)c1O)C1(C2CC2)CCOCC1	1548791619	KZKLCIAOMDCHDC-UHFFFAOYSA-N	291.347	1.921	10	20	CDCD	
CCOc1ccc(CN(CC(=O)O)C2CC2)c(O)c1	1610043224	FPZBNKVTPLDRMK-UHFFFAOYSA-N	265.309	1.840	10	20	CDCD	
CCN1CCc2cc(CN[C@@H](CCOC)C(=O)O)ccc21	1776877042	HDORSDWZYZADFM-AWEZNQCLSA-N	292.379	1.648	10	20	CDCD	
C[C@@H](CC(=O)O)NCc1ccc(N2CC[C@H](O)C2)cc1	1776402042	QKAAMQKBHHCTRT-FZMZJTMJSA-N	278.352	1.210	10	20	CDCD	
CN1C(=O)C(=C/C=C/c2ccc(F)cc2)C(=O)N(C)C1=O	158672357	UEQZSJHNSGJPTL-ONEGZZNKSA-N	288.278	1.816	10	20	CDCD	
COC1(C(=O)NCc2ccc(N(C)C)cc2)CCNCC1	163814030	ILPNJABEHBZICK-UHFFFAOYSA-N	291.395	1.137	10	20	CDCD	
CN(C)c1ccc(CNC(=O)C[C@H]2COC(=O)C2)cc1F	155957333	RXLAUNNMAHTCRY-LLVKDONJSA-N	294.326	1.461	10	20	CDCD	
COC[C@H]1CCCN(Cc2cc3c(cc2O)OCO3)C1	112960553	ITJHTUUHGVATMA-NSHDSACASA-N	279.336	1.979	10	20	CDCD	
Cc1cccc(CNC[C@@H]2CN(C)CCN2C)c1O	124816891	GROVLMBEKRFLSG-CQSZACIVSA-N	263.385	1.036	10	20	CDCD	
C[C@H](NCCC(=O)N(C)C)c1ccc(N(C)C)cc1	37751964	KOIIODDQLGUWFN-LBPRGKRZSA-N	263.385	1.882	10	20	CDCD	
COCC[C@H](CO)N[C@H]1CCc2cccc(O)c21	296618225	YZVASYJXAWVAGV-NEPJUHHUSA-N	251.326	1.367	10	20	CDCD	
Oc1c(Cl)cc(Cl)cc1CN[C@@H]1CCOC[C@H]1O	706777619	HRDJBHATNQTXOW-GHMZBOCLSA-N	292.162	1.938	10	20	CDCD	
COc1ccc(O)c(CNC[C@@H](CO)C(C)C)c1	394068988	IRKNBMDOKOJYLA-LBPRGKRZSA-N	253.342	1.755	10	20	CDCD	
CC(C)C[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)O	213148258	OLBHHFOSTWXOHD-QZPNVGJNSA-N	293.319	1.727	10	20	CDCD	
CN(CC1(O)CCCC1)C(=O)/C=C/c1ccc(O)c(O)c1	181254029	JAUKSDZNPZAPJB-FNORWQNLSA-N	291.347	1.875	10	20	CDCD	
Cc1cc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)on1	183414237	FTXBXUYKNYBKLQ-MRVPVSSYSA-N	276.292	1.755	10	20	CDCD	
CNC(=O)CCCN(C)Cc1cc(C)ccc1O	93718086	KSJAQPJUVLUQNI-UHFFFAOYSA-N	250.342	1.659	10	20	CDCD	
C[C@]1(CO)CCCN(Cc2cc3c(cc2O)OCO3)C1	93341193	KVOBGVINDXVSAS-HNNXBMFYSA-N	279.336	1.715	10	20	CDCD	
Cc1ccc(O)c(CN(C)[C@H](C)CN2CCOCC2)c1	279511003	XGUCRTMVUZFBTO-CQSZACIVSA-N	278.396	1.853	10	20	CDCD	
COC(=O)c1ccc(OCC(=O)C(C)=O)c(Cl)c1	289640760	NALZPEZFFAOKLM-UHFFFAOYSA-N	270.668	1.664	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)COCC(=O)OC	287366770	KFGXXWZJAWVSRF-UHFFFAOYSA-N	295.335	1.320	10	20	CDCD	
COCC[C@@H](CO)N[C@@H](C)c1cc([N+](=O)[O-])ccc1O	281797534	YECDCEUIRSOAJK-UWVGGRQHSA-N	284.312	1.348	10	20	CDCD	
Cc1nc2ccc(N(C)Cc3ccccc3O)nn2n1	804578647	PFAYFMKJRUCGKK-UHFFFAOYSA-N	269.308	1.775	10	20	CDCD	
CO[C@@H](C)CCN1C(=O)CN(Cc2ccccc2O)C1=O	819168723	VJBKFPVAQAGWJS-NSHDSACASA-N	292.335	1.581	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@H](N)CC(F)F	829764228	HNTVLPLCWZINOR-GFCCVEGCSA-N	285.338	1.660	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)[C@@H](N)COC)cc1	827340808	LXVTYCAZAZVURV-AWEZNQCLSA-N	279.384	1.123	10	20	CDCD	
COc1cc(O)ccc1NS(=O)(=O)c1cn(C)c(C)n1	901703894	KUVIDAVQFJMYDR-UHFFFAOYSA-N	297.336	1.244	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)Cn2ccnc2C)c1	837483452	ALQILNUUNYCYKL-SNVBAGLBSA-N	289.335	1.783	10	20	CDCD	
NCC[C@@H]1CCN(Cc2cc3c(cc2O)OCO3)C1	904406116	PRDAALHIWSYXRU-SNVBAGLBSA-N	264.325	1.292	10	20	CDCD	
O=C(NCCCSc1nccs1)N[C@H]1C[C@@H](O)C1	838514200	PJJIDVCZHVEXPI-DTORHVGOSA-N	287.410	1.448	10	20	CDCD	
O=C(O)CN(Cc1ccccc1O)C(=O)[C@@H]1CCCCO1	911484656	DZIIMUKLFMWESD-ZDUSSCGKSA-N	293.319	1.375	10	20	CDCD	
CCc1nn(C)c2n[nH]c(NC(=O)Cc3ccc(N)cc3)c12	843490329	RQMAOLICIZPLMY-UHFFFAOYSA-N	298.350	1.622	10	20	CDCD	
COc1ccc(O)c(CN[C@@H]2CCN(C(C)(C)C)C2=O)c1	843414935	HAAIMPWDSVFNCL-CYBMUJFWSA-N	292.379	1.890	10	20	CDCD	
Nc1ccc(CC(=O)N2CCNC[C@@H]2c2ccncc2)cc1	843498544	PQCHHHPCLSUHDI-MRXNPFEDSA-N	296.374	1.379	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)C1(c2ccccn2)CC1	910942910	IEJXJFPHPUPTRT-UHFFFAOYSA-N	284.315	1.841	10	20	CDCD	
CN1CCC(NC(=S)NCc2ccccc2O)CC1	748159294	VOQQNYGWYIZZIE-UHFFFAOYSA-N	279.409	1.451	10	20	CDCD	
Nc1ccc(CCNC(=O)N2CCC[C@@H](CCO)C2)cc1	841953833	DYJFXSZXIRMIHY-AWEZNQCLSA-N	291.395	1.615	10	20	CDCD	
NC[C@H]1CN(Cc2cccc(F)c2O)CCCO1	841101521	WTOQCBQDJHJXRW-NSHDSACASA-N	254.305	1.081	10	20	CDCD	
Cn1cc(/C=C2\SC(N3CCCCC3)=NC2=O)nn1	741472017	RTVFJNGFXQTMCU-YFHOEESVSA-N	277.353	1.271	10	20	CDCD	
C[C@@H]1CN(C(=O)C(=O)Nc2ccc(N)cc2)CCS1	841031581	WXMQYRVQTBEEKH-SECBINFHSA-N	279.365	1.171	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1[C@H]2CNC[C@H]21	843487568	IVWBRMXJVIFEOE-ZSHCYNCHSA-N	287.407	1.567	10	20	CDCD	
COc1cc(CNC[C@H](O)CO)c(O)c(C(C)(C)C)c1	850282210	RTXJEJYPZFQVJF-NSHDSACASA-N	283.368	1.141	10	20	CDCD	
COc1cccc(CN2C[C@@H]3CCC[C@]3(N)C2)c1O	857226772	ZACXCPIBEHGVTH-WFASDCNBSA-N	262.353	1.714	10	20	CDCD	
CN(C)C1(C(=O)NCc2cc(Cl)ccc2O)CC1	855023114	RCHBCMNSBHNHOQ-UHFFFAOYSA-N	268.744	1.756	10	20	CDCD	
O=C(CCCn1cccn1)NCCc1ccc(O)c(O)c1	762264221	QCDKRDOGNFWCSG-UHFFFAOYSA-N	289.335	1.433	10	20	CDCD	
COCC1(O)CN(Cc2cc(Cl)c(C)cc2O)C1	1118577210	BXDAPBIPJUVDNN-UHFFFAOYSA-N	271.744	1.547	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N[C@H]1CCn2ccnc2C1	779213170	DGDBAYWNGGVBHN-KMOQFTEPSA-N	299.330	1.439	10	20	CDCD	
Cc1cc(NC(=O)c2c(F)ccc(O)c2O)nn1C	789994089	KEURSIVGKZQQBQ-UHFFFAOYSA-N	265.244	1.531	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)[C@@H](N)C(C)(C)O)cc1	1121909330	ODWWRPQIIVOSCJ-CQSZACIVSA-N	293.411	1.247	10	20	CDCD	
C[C@@H]1C[C@H]1C(=O)OCC(=O)c1ccc(O)c(O)c1	784881258	ROLPAKWHRKQUCP-VXNVDRBHSA-N	250.250	1.480	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)C2(C)COC2)c1	782737957	HSUBOOUOHYBKKW-VIFPVBQESA-N	265.309	1.615	10	20	CDCD	
C[C@@H](N[C@@H](CO)c1cnn(C)c1)c1c(O)cccc1F	886557304	XWQBVCQPTIUQOZ-SKDRFNHKSA-N	279.315	1.649	10	20	CDCD	
CN(C)c1ccc([N+](=O)[O-])c(OCC[N+](=O)[O-])c1	899232570	QECSRQGNWCZJLD-UHFFFAOYSA-N	255.230	1.316	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@H](OC)C2CC2)c1	792238626	TXGUMPVCUMDLJE-CYBMUJFWSA-N	265.309	1.442	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@H]1CCCOC1	793796519	LFNGBWFREBHWMQ-DGCLKSJQSA-N	293.363	1.962	10	20	CDCD	
C[C@H]1[C@@H](C)S(=O)(=O)CCN1Cc1ccc(N)cc1	1334754270	NUSPVPZCXRJQPF-WDEREUQCSA-N	268.382	1.276	10	20	CDCD	
CCN(CC)c1ccc(CN[C@H](C)CC(N)=O)cc1	135716346	ZJMBZJQKTMMFAW-GFCCVEGCSA-N	263.385	1.886	10	20	CDCD	
CC(C)CNC(=O)CN[C@H](C)c1cc([N+](=O)[O-])ccc1O	1323831283	WXJXUODSSXHGAZ-SNVBAGLBSA-N	295.339	1.723	10	20	CDCD	
CSCCNC(=O)N(C)Cc1ccccc1O	726279164	QGKNSHKTOVWGTK-UHFFFAOYSA-N	254.355	1.897	10	20	CDCD	
CO[C@H]1CCN(C(=O)NCc2ccc(N)cc2)C[C@@H]1C	1335726737	WUOJEPTZMPQMHC-FZMZJTMJSA-N	277.368	1.835	10	20	CDCD	
C[C@H](NCCN1CCOC1=O)c1ccc(N(C)C)cc1	775835474	ZOHZKQVCGFODLS-LBPRGKRZSA-N	277.368	1.855	10	20	CDCD	
CN(CCCN1CCCC1)C(=O)NCc1ccc(N)cc1	1357791606	OGHNDGACEWZANH-UHFFFAOYSA-N	290.411	1.896	10	20	CDCD	
CCCCC[C@H](NC(=O)c1cccc(O)c1O)C(=O)O	1605259018	PZYRPCJOVOJCIO-JTQLQIEISA-N	281.308	1.861	10	20	CDCD	
CC1(C)CNC[C@H]1NC(=O)/C=C\c1ccc(O)c(O)c1	1576472285	GOIPGWQCJBDZBA-RYWCDNDXSA-N	276.336	1.225	10	20	CDCD	
CNC(=O)C[C@H](C)N[C@H](C)c1cc(C(=O)O)ccc1O	1598640424	XULYLCCBJHQQKS-DTWKUNHWSA-N	280.324	1.266	10	20	CDCD	
CON(C(=O)c1ccc(N=NC(N)=O)cc1)[C@H](C)C(=O)O	1594038055	ASNWCXQTZQRHEB-SSDOTTSWSA-N	294.267	1.326	10	20	CDCD	
CON(C)C(=O)[C@H](C)N[C@H](C)c1cc(C(=O)O)ccc1O	1599315106	MNLZJJMQVZWLBY-BDAKNGLRSA-N	296.323	1.149	10	20	CDCD	
CN1CCCc2cc(CNC(=O)CNC3CC3)ccc21	154639834	XQGWAGCZLVARDE-UHFFFAOYSA-N	273.380	1.437	10	20	CDCD	
COc1ccc(O)c(CN[C@H]2CCCCNC2=O)c1	36976487	HVXQPLMVJGRNOU-LBPRGKRZSA-N	264.325	1.159	10	20	CDCD	
Nc1ccc(NC(=O)CCS(=O)(=O)C2CCCC2)cc1	59974207	JOTBGRALRXXXAX-UHFFFAOYSA-N	296.392	1.955	10	20	CDCD	
Nc1ccc(CNC(=O)[C@H]2CC23CCOCC3)cc1	689997978	BNIRRWJCEAKVFN-CYBMUJFWSA-N	260.337	1.702	10	20	CDCD	
C[C@H](O)CN(C(=O)c1cccc(O)c1O)C1CC1	691372260	CYVKYANQHYYPIQ-QMMMGPOBSA-N	251.282	1.083	10	20	CDCD	
CC(C)(CC(=O)O)NC(=O)Cc1ccc(O)c(O)c1	1588757791	OZJJBLLZBSALLT-UHFFFAOYSA-N	267.281	1.010	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)Cn1cccn1	115280309	FLWMCDCCCIUQIC-UHFFFAOYSA-N	272.352	1.574	10	20	CDCD	
COC[C@H](O)CCNCc1ccc(OC)c(C)c1	231604346	HVKXCQIZOSEKDS-CYBMUJFWSA-N	253.342	1.491	10	20	CDCD	
CC[C@@H](NC[C@@H](O)CN(C)C)c1ccc(N(C)C)cc1	305114713	HLCZZOPJBYEDCK-HZPDHXFCSA-N	279.428	1.716	10	20	CDCD	
COCCCNC(=O)CN(C)c1ccc2c(c1)OCO2	121363246	ZOIRVNFQCRWWGF-UHFFFAOYSA-N	280.324	1.004	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)c(O)c1O	182582966	DAIWXOMGYKHBBA-WDEREUQCSA-N	290.363	1.761	10	20	CDCD	
C[C@@H](CN[C@H](C)c1cc(F)ccc1O)N1CCN(C)CC1	185366040	KUXINOKQIUPLFS-QWHCGFSZSA-N	295.402	1.818	10	20	CDCD	
CCn1cc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cn1	183479006	KHYNXIAUQAJSLH-SNVBAGLBSA-N	289.335	1.675	10	20	CDCD	
Cc1cccc(CN(C)CCNC(=O)C(C)C)c1O	180797030	PXQGGUFDDLLHIS-UHFFFAOYSA-N	264.369	1.905	10	20	CDCD	
CN1C[C@@H](NCc2cc(Br)ccc2O)CC1=O	263706493	HBXDMYVNYPTPMD-JTQLQIEISA-N	299.168	1.475	10	20	CDCD	
COc1cccc(CN2CCCC[C@@H]2C(=O)O)c1O	86729547	RWFRRVFDMCMUNF-LLVKDONJSA-N	265.309	1.840	10	20	CDCD	
COCCS(=O)(=O)Nc1ccc(O)cc1Cl	82879839	GGJHMBBGZIIZJX-UHFFFAOYSA-N	265.718	1.434	10	20	CDCD	
O=C(/C=C/c1cccnc1)NCCc1ccc(O)c(O)c1	149415431	BKZRYNYLRSPVQB-GQCTYLIASA-N	284.315	1.865	10	20	CDCD	
Cc1c(CNC(=O)[C@H]2CCCC(=O)N2)n(C)c2ccccc12	515802146	KXKKOIKMLYLOOW-CYBMUJFWSA-N	299.374	1.772	10	20	CDCD	
COc1cc(Cl)cc(CN(CC(N)=O)C(C)C)c1O	184673864	YIGNAYZYWWNYJU-UHFFFAOYSA-N	286.759	1.750	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@]1(C)CCCOC1	274898855	FSPAHPLROADKSY-MEDUHNTESA-N	293.363	1.962	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)[C@@H]1CSCCS1	272330077	MHTQBZWVOANGAD-NSHDSACASA-N	285.390	1.563	10	20	CDCD	
C[C@H](N[C@H](C)C(=O)NCCF)c1ccc(F)cc1O	282654680	IFXDALHFIBMKPR-DTWKUNHWSA-N	272.295	1.656	10	20	CDCD	
COCC1(O)CN(Cc2cc(Cl)cc(Cl)c2O)C1	297290805	AXFSILQSAAXIRT-UHFFFAOYSA-N	292.162	1.892	10	20	CDCD	
CCN(CC(=O)N1CCOCC1)c1ccc(OC)cc1	299347494	FXOUHJCLBUOCNT-UHFFFAOYSA-N	278.352	1.380	10	20	CDCD	
Cc1cc(CN[C@@H](CO)C2CCOCC2)ccc1N(C)C	815092097	WWBCKGOXLCCEEC-INIZCTEOSA-N	292.423	1.938	10	20	CDCD	
COC[C@](C)(CC(=O)OC)NC(=O)c1cc(O)cs1	829698353	GPQDNFLMEDQOFD-LBPRGKRZSA-N	287.337	1.152	10	20	CDCD	
COC(=O)c1nccc(Sc2nccs2)n1	820633626	GIGQDWYKCFJMHO-UHFFFAOYSA-N	253.308	1.871	10	20	CDCD	
CNC(=O)C[C@@H](C)NCc1cc(Cl)cc(F)c1O	825067840	FWIDROFYMHIEDP-SSDOTTSWSA-N	274.723	1.799	10	20	CDCD	
C[C@H](N)[C@H](C)C(=O)NCc1c(O)ccc2c1CCCC2	830597521	MPJOGONMPVGTBD-QWRGUYRKSA-N	276.380	1.871	10	20	CDCD	
C[C@]1(C(=O)O)CCN(Cc2cccc(F)c2O)C1	833553354	BDBRXWKMMSZUQM-ZDUSSCGKSA-N	253.273	1.828	10	20	CDCD	
C[C@@]1(CN[C@H]2CCc3cccc(O)c32)CCC(=O)N1	834907710	AJOLTMVIWJCHJA-NHYWBVRUSA-N	260.337	1.638	10	20	CDCD	
COc1cccc(CNC(=O)C[C@@H]2CCC(=O)N2C)c1O	830539834	AEWNFJBFFKOCHP-NSHDSACASA-N	292.335	1.028	10	20	CDCD	
CC(C)COCCC(=O)NCc1ccc(O)cc1O	910951995	OCUWQTFPPSUSNS-UHFFFAOYSA-N	267.325	1.777	10	20	CDCD	
CC[C@@H](O)[C@H](C)C(=O)N[C@H](C)c1ccccc1O	913763702	OQBPXUMGQNOWFP-HOSYDEDBSA-N	251.326	1.976	10	20	CDCD	
Nc1ccc(CCNC(=O)c2cnc(C3CC3)nc2N)cc1	832658721	AYDZBBOEIXKPET-UHFFFAOYSA-N	297.362	1.491	10	20	CDCD	
C[C@@H]1C[C@@H](C(=O)NCc2ccc(O)cc2O)CCO1	910948833	BEADCTNLZKNWJW-ZJUUUORDSA-N	265.309	1.529	10	20	CDCD	
C[C@H]1CN(C(=O)C(=O)Nc2ccc(N)cc2)C[C@@H]1C	841053767	BLBYIKBLMPQQNV-UWVGGRQHSA-N	261.325	1.322	10	20	CDCD	
O=C(NCc1ccccc1O)N[C@H]1CCN2CCC[C@@H]2C1	748460344	OFGQDFFJSLKZPW-UONOGXRCSA-N	289.379	1.818	10	20	CDCD	
CNS(=O)(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C	841571618	ZNZWHIWSAXMSHX-NSHDSACASA-N	285.413	1.046	10	20	CDCD	
CCc1nn(C)cc1NC(=O)NCCc1ccc(N)cc1	841172455	KUBHAMSHHLUUQV-UHFFFAOYSA-N	287.367	1.929	10	20	CDCD	
CN1CCCc2cc(CNC(=O)N3CC(F)C3)ccc21	753149917	OFCCKIFNIPHNBE-UHFFFAOYSA-N	277.343	1.932	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)CCCCO)c1	866763692	HLLYDCQHJLCZOI-JTQLQIEISA-N	267.325	1.741	10	20	CDCD	
COc1ccc(N2CCC(N[C@@H]3CCN(C)C3)CC2)cc1	765637369	CNIYWWLZGTZXJW-OAHLLOKOSA-N	289.423	1.958	10	20	CDCD	
Cc1noc(C2CN(C(=O)c3cccc(O)c3O)C2)n1	765657055	URLJSWQUQNJCRL-UHFFFAOYSA-N	275.264	1.029	10	20	CDCD	
O=C1N=C(N2CCOCC2)S/C1=C\c1cncs1	767722184	OTAPEJCKENAEOB-UITAMQMPSA-N	281.362	1.446	10	20	CDCD	
O=S1CCN(Cc2ccc(N3CCCC3)cc2)CC1	1116444306	XMTMCKGKZFEQHZ-UHFFFAOYSA-N	278.421	1.851	10	20	CDCD	
COCCN(CC(=O)OC)Cc1ccc(C)cc1O	876735638	AIAVXMDYZAOUNX-UHFFFAOYSA-N	267.325	1.322	10	20	CDCD	
CN1CCN(c2ccc(CN3CCC[C@H](O)C3)cc2)CC1	775638090	AFXYYFSBJJYQAB-KRWDZBQOSA-N	289.423	1.395	10	20	CDCD	
O=C(NC[C@@H]1COC2(CCCC2)O1)c1cc(O)cs1	774354278	GIIXRMVOYAXSKM-SNVBAGLBSA-N	283.349	1.869	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNC2(CO)CCCC2)c1O	775048652	NXCTVRATJLQDLW-UHFFFAOYSA-N	296.323	1.704	10	20	CDCD	
Cn1ccnc1CCC(=O)NCc1cccc(O)c1O	1123978685	YDEOFXZOEUQSCN-UHFFFAOYSA-N	275.308	1.080	10	20	CDCD	
COc1ccc(CNC(=O)c2c(C)noc2C)c(O)c1	794384240	XQCPJTAPXPSUQQ-UHFFFAOYSA-N	276.292	1.936	10	20	CDCD	
C[C@H](C[C@H]1CCOC1)NC(=O)c1cccc(O)c1O	790882931	SWWLMBUZFAPOFT-NXEZZACHSA-N	265.309	1.643	10	20	CDCD	
CN(C)[C@@H](CNC(=O)c1cccc(O)c1O)C1CC1	790562976	RVRULNGLWCRTQK-NSHDSACASA-N	264.325	1.168	10	20	CDCD	
COc1ccc(CNCc2cnc3cnccn23)c(O)c1	793388484	OZFAXFAXVPEAIA-UHFFFAOYSA-N	284.319	1.733	10	20	CDCD	
C[C@@H]1CCNC(=O)[C@@H]1NCc1cc(Cl)cc(F)c1O	799737802	NDBPVHMOPQDUDG-RDDDGLTNSA-N	286.734	1.799	10	20	CDCD	
CC[C@@H](C)[C@H](OC)C(=O)OCC(=O)c1ccc(O)c(O)c1	795999630	ZTXOTDZPSSWHAS-OTYXRUKQSA-N	296.319	1.885	10	20	CDCD	
NC(=O)N=Nc1ccc(C(=O)NCCNCCF)cc1	1153047803	LBHCXNUWYIHTIO-UHFFFAOYSA-N	281.291	1.138	10	20	CDCD	
COc1ccc(O)c(CN2CCC[C@H](C(=O)O)C2)c1	86728890	GNWNJVRHFBVSHG-JTQLQIEISA-N	265.309	1.697	10	20	CDCD	
Cc1noc(C)c1CN(C)C(=O)c1cccc(O)c1O	186908591	MEOJNCDSIRPUPX-UHFFFAOYSA-N	276.292	1.975	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NCCCC(=O)N(C)C)c1	1328769895	DZFNPEKWGFUEDJ-UHFFFAOYSA-N	293.367	1.368	10	20	CDCD	
COc1cccc(CN2CCC[C@H]([C@@H](C)N)C2)c1O	70171774	VMFKQIMCTABALT-NEPJUHHUSA-N	264.369	1.960	10	20	CDCD	
Nc1ccc(CC(=O)N2CCO[C@@H](C(F)(F)F)C2)cc1	698755206	VVVABGXDXSLVRK-LLVKDONJSA-N	288.269	1.601	10	20	CDCD	
CCOc1cccc(CN2C[C@@H]3CNC[C@@H]3C2)c1O	90320348	AUKZNPDPKGIWTR-BETUJISGSA-N	262.353	1.442	10	20	CDCD	
C[C@H]1COCC[C@H]1CNC(=O)NCc1ccc(N)cc1	1346646436	DZUAQTICEZZRMA-AAEUAGOBSA-N	277.368	1.741	10	20	CDCD	
Cc1cccc(CN[C@@H](C[C@H]2CCCO2)C(=O)O)c1O	1600532619	WANPMGKNDIRZQF-OLZOCXBDSA-N	279.336	1.813	10	20	CDCD	
Cn1nccc1[C@@H](NCc1cc(Cl)ccc1O)C(=O)O	1605568608	XIIJYTFYXJXYMT-GFCCVEGCSA-N	295.726	1.695	10	20	CDCD	
O=C(CSc1ncc[nH]1)c1ccc(O)c(O)c1	13782397	SSPCWUIQFXHRRB-UHFFFAOYSA-N	250.279	1.796	10	20	CDCD	
CC(C)(C)OC(=O)NOCC(=O)NCc1ccccc1O	907056594	OKLLJLNALLHFKW-UHFFFAOYSA-N	296.323	1.465	10	20	CDCD	
C[C@@H]1NC[C@H](C)N(C(=O)Cc2ccc(N)cc2)[C@@H]1C	1122264620	TWLHJYZSFZWDSX-SDDRHHMPSA-N	261.369	1.409	10	20	CDCD	
O=S(=O)(CC1CCC1)NCc1ccccc1O	271386734	GPKIGWICMOOHFE-UHFFFAOYSA-N	255.339	1.612	10	20	CDCD	
CNC(=O)C[C@@H](C)N[C@H](C)c1cc(OC)ccc1O	323023547	JYROOYWIVXOYGO-NXEZZACHSA-N	266.341	1.576	10	20	CDCD	
CCN1C[C@@H](C(=O)NCc2ccc(N(C)C)cc2)CC1=O	28894847	OWZUWKFKWDZHNO-ZDUSSCGKSA-N	289.379	1.237	10	20	CDCD	
Cc1cccc(CN(C2CC2)[C@H]2CCS(=O)(=O)C2)c1O	179710573	DTZLLRGGQLCFLO-AWEZNQCLSA-N	295.404	1.852	10	20	CDCD	
COc1ccc(O)c(CNC(=O)C2=CCCCO2)c1	177163537	NELOQFGFAWZQAH-UHFFFAOYSA-N	263.293	1.711	10	20	CDCD	
COc1cccc(CN2CC[C@H]3CC[C@@H](C2)N3)c1O	132182532	PUHKSQSXQAQELW-OLZOCXBDSA-N	262.353	1.727	10	20	CDCD	
C[C@H]1CCCC[C@@H]1NC=C1C(=O)N(C)C(=O)N(C)C1=O	48402841	WTTOQTLEYNDFBL-ONGXEEELSA-N	279.340	1.089	10	20	CDCD	
CC(C)(N)C(=O)NCc1ccc(N2CCOCC2)c(F)c1	132914578	ADYLHFVSZMAHLC-UHFFFAOYSA-N	295.358	1.016	10	20	CDCD	
CN1CCO[C@H](C(=O)N(C)Cc2ccc(N(C)C)cc2)C1	80987029	MBQQUALDUHDOLK-HNNXBMFYSA-N	291.395	1.042	10	20	CDCD	
CO[C@@H](C)CNC(=O)NCc1ccc(N(C)C)c(F)c1	190414579	ZDPBCIPYBLGNNV-JTQLQIEISA-N	283.347	1.726	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc[n+]([O-])c1	266357655	QVQUJVWAQMYDFA-UHFFFAOYSA-N	299.330	1.425	10	20	CDCD	
CC[C@](C)(CCO)NCc1cc([N+](=O)[O-])ccc1O	268565097	PFXRPYJGMJOJHS-CYBMUJFWSA-N	268.313	1.941	10	20	CDCD	
COc1ccc(O)c(CN(C)CCc2cnccn2)c1	272725802	GEZYWUQYFKGVBN-UHFFFAOYSA-N	273.336	1.865	10	20	CDCD	
CN(C)c1ccc(CN2CCc3n[nH]c(=O)cc3C2)cc1	274934251	OZUGCYYHUPHURV-UHFFFAOYSA-N	284.363	1.394	10	20	CDCD	
C[C@@H]1CCN(Cc2cc3c(cc2O)OCO3)CC[S@]1=O	277290286	AGLSPWCLBBIZGQ-CFMSYZGJSA-N	297.376	1.464	10	20	CDCD	
COC(=O)C1(NC(=O)c2cccc(O)c2O)CCCCC1	275057517	YHTCZGFCHYMQTD-UHFFFAOYSA-N	293.319	1.704	10	20	CDCD	
CC(=O)C(=O)CSc1nnc(OC(C)C)s1	289671280	PAXJCDCZBJZXLG-UHFFFAOYSA-N	260.340	1.576	10	20	CDCD	
C[C@@H]1CSC[C@H]1NC(=O)/C=C\c1ccc(O)c(O)c1	804501339	BLXZGUYMQLAXFB-VVCGMDSISA-N	279.361	1.979	10	20	CDCD	
O=C1C[C@H](N[C@@H]2CCc3cccc(O)c32)CN1C1CC1	296785687	KWTUHXGNJCPQPS-WCQYABFASA-N	272.348	1.732	10	20	CDCD	
CC[C@@H](NC[C@@H]1CNCCCO1)c1ccccc1O	817982438	SJLLYXBIHGLTNU-GXTWGEPZSA-N	264.369	1.811	10	20	CDCD	
COc1ccc(CNC(=O)[C@](C)(O)C2CCC2)c(O)c1	813555054	YBEHQQQVKCMSGE-OAHLLOKOSA-N	279.336	1.568	10	20	CDCD	
COC[C@H](NC[C@H](N)c1ccc(N(C)C)cc1)C1CC1	817943287	UAAQAAAWMZCITK-HOTGVXAUSA-N	277.412	1.767	10	20	CDCD	
COC[C@@H](C)[C@@H](C)C(=O)NCCc1ccc(O)c(O)c1	812536363	ZHRODDWLUBYGGA-GHMZBOCLSA-N	281.352	1.675	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)NC[C@H]2CCCNC2)c1	817946010	PXYFITNLIQCGTC-NEPJUHHUSA-N	292.379	1.829	10	20	CDCD	
CCOCC[C@H](O)CNCc1ccc2c(c1)CCCN2C	818984535	BCFKYSXQZXCQEM-INIZCTEOSA-N	292.423	1.946	10	20	CDCD	
Cn1cc(/C=C\C(=O)N2C[C@@H](CO)c3ccccc32)cn1	817782469	MCCDPMNIUVIALX-FWWRYZNZSA-N	283.331	1.556	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)CN1CCOC1=O	820041993	UZCVXFHMXVMAIJ-UHFFFAOYSA-N	291.351	1.129	10	20	CDCD	
O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H]1CC[C@H]1O	824185687	ISDMLNDZKRCRQO-HUUCEWRRSA-N	289.379	1.609	10	20	CDCD	
Nc1ccc(CC(=O)N[C@H]2CCN(CC3CC3)C2)cc1	828993885	UDBXNYCDXAUOJZ-HNNXBMFYSA-N	273.380	1.412	10	20	CDCD	
Cc1ccnc([C@H](C)NC(=O)c2ccc(C)c(O)c2O)n1	823711364	PZHSUMWRVOFSMI-JTQLQIEISA-N	287.319	1.996	10	20	CDCD	
O=C(COC(=O)c1cc(O)cs1)NC1CCCC1	731912247	RRZKTCHFXIVCSC-UHFFFAOYSA-N	269.322	1.669	10	20	CDCD	
COC(=O)C[C@H](NC(=O)Cc1ccc(N)cc1)C1CC1	831146301	DMIWHGFSVLRJEJ-ZDUSSCGKSA-N	276.336	1.269	10	20	CDCD	
CO[C@H](CNC(=O)NCc1ccccc1O)C(F)(F)F	733646085	OZLAANFUMYBGKD-SNVBAGLBSA-N	292.257	1.769	10	20	CDCD	
COC(=O)NCC(=O)NCCCSc1nccs1	733972743	VBBAYYQSVKILKV-UHFFFAOYSA-N	289.382	1.098	10	20	CDCD	
Cc1cc(O)c(CNC[C@]2(C)CCC(=O)N2)cc1C	835061362	RWSCQMCDXJOFSW-HNNXBMFYSA-N	262.353	1.767	10	20	CDCD	
Nc1ccc(Cc2noc(C[C@H]3CCOC3)n2)cc1	843158234	ACYSRYIXGONICF-LLVKDONJSA-N	259.309	1.822	10	20	CDCD	
Nc1ccc(CCNC(=O)N2[C@H]3CC[C@H]2COC3)cc1	841956228	ZIDVNSCQCOFNAK-KBPBESRZSA-N	275.352	1.384	10	20	CDCD	
O=C1NC(=S)S/C1=C/c1ccnn1CC1CC1	849177531	NYFYYCRRHINVIH-WEVVVXLNSA-N	265.363	1.782	10	20	CDCD	
COc1cccc(CNC(=O)C23CC(C(=O)O)(C2)C3)c1O	911336302	DNYFBPMKUSIPKT-UHFFFAOYSA-N	291.303	1.272	10	20	CDCD	
COc1ccc(N(C)CCN(C)CC(=O)NC2CC2)cc1	844399836	PRLLZMZKBZDSEW-UHFFFAOYSA-N	291.395	1.342	10	20	CDCD	
COCCNCCNCc1cc(C)c(C)cc1O	841048190	MSIMAGTZOPNSST-UHFFFAOYSA-N	252.358	1.335	10	20	CDCD	
NCC[C@@H](NC(=O)NCCc1ccc(N)cc1)C(F)F	841955600	HTOGYZPBZQOYHB-LLVKDONJSA-N	286.326	1.093	10	20	CDCD	
CCc1cccc(CNCCN(CC)CCO)c1O	848903737	ZBPULKGSURKJOJ-UHFFFAOYSA-N	266.385	1.358	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H]2CCNC2)c1	841941145	KWMUPRZQLUXAGL-NXEZZACHSA-N	279.340	1.123	10	20	CDCD	
CCOc1cccc(CNC[C@H]2CCCN2)c1O	841036052	NQTNYKKUQDRVEI-GFCCVEGCSA-N	250.342	1.633	10	20	CDCD	
CN(C(=O)c1cccc2c1CCNC2)c1cn[nH]c1	852872864	SMAUCIQDKGUPGG-UHFFFAOYSA-N	256.309	1.332	10	20	CDCD	
CCNC(=O)NC(=O)[C@@H](C)N(C)c1ccc2c(c1)OCO2	756653346	HUWPGCMSSLYQCZ-SECBINFHSA-N	293.323	1.086	10	20	CDCD	
Cc1cc(CN(C)CCC(=O)O)ccc1N(C)C	851706641	WEGFHEWVKZTDIJ-UHFFFAOYSA-N	250.342	1.968	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H]1CCO[C@H]1C	935948507	NQZDRAHSLQABLA-QWRGUYRKSA-N	284.352	1.919	10	20	CDCD	
C[C@@H](NS(=O)(=O)C[C@H]1CCOC1)c1ccccc1O	867834396	NRNAHUAQDHHJBP-MNOVXSKESA-N	285.365	1.409	10	20	CDCD	
CCOc1ccc(CN2CCC[C@H](C(=O)NC)C2)c(O)c1	769402934	FAJSSMXBQFGOBT-ZDUSSCGKSA-N	292.379	1.749	10	20	CDCD	
C[C@H](NC(=O)[C@@H](C)n1cncn1)c1ccc(N(C)C)cc1	773008612	HNBZUFRNYAPPJD-NWDGAFQWSA-N	287.367	1.783	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1CCC(NCCO)CC1	873217961	VXWRHMZGKXUMTQ-UHFFFAOYSA-N	291.439	1.607	10	20	CDCD	
CCn1nc(C)c(CNCc2c(C)cccc2O)n1	877598828	UKIUBAYBMXXGPF-UHFFFAOYSA-N	260.341	1.910	10	20	CDCD	
CC(=O)N1CCCC[C@@H]1C(=O)N(C)c1ccc(N)cc1	877076629	RWXOXUSHTJTAQF-CQSZACIVSA-N	275.352	1.633	10	20	CDCD	
COc1cccc(CNC(=O)NCc2cccnn2)c1O	775037065	JTYQTRPSXGFYQP-UHFFFAOYSA-N	288.307	1.190	10	20	CDCD	
C[C@@H](C(=O)N(C)C)n1cc(COc2ccc(N)cc2)nn1	881096281	IMTQPDGMPSJENQ-JTQLQIEISA-N	289.339	1.089	10	20	CDCD	
CCC[C@@](C)(CO)NCc1ccc([N+](=O)[O-])c(OC)c1O	775016827	XLAWZRVPMRHBBV-AWEZNQCLSA-N	298.339	1.950	10	20	CDCD	
O=C(C1CC1)N1CCN(Cc2cc(F)ccc2O)CC1	778995286	QBRYFVMMEWIBPW-UHFFFAOYSA-N	278.327	1.586	10	20	CDCD	
O=C(N[C@H]1CCCC12OCCO2)c1cc(O)cs1	898948382	QHXHVPVTRULEAC-JTQLQIEISA-N	269.322	1.479	10	20	CDCD	
Cn1cc(/C=C/C(=O)N2C[C@@H](O)Cc3ccccc32)cn1	790156777	QDNGIIPDZOHSOV-UZYOAWRESA-N	283.331	1.384	10	20	CDCD	
CO[C@H]1CC[C@@H](NC(=O)c2c(F)ccc(O)c2O)C1	1326504454	PAATYBRMAVTAPO-SFYZADRCSA-N	269.272	1.534	10	20	CDCD	
COc1ccc(N2CCCN(c3cc(N)ncn3)CC2)cc1	1321565879	FBKGXZZIHWBJLK-UHFFFAOYSA-N	299.378	1.784	10	20	CDCD	
CS(=O)(=O)CCCCNCc1ccc2c(c1)CCO2	692838868	NDOBCJKPRLKLFD-UHFFFAOYSA-N	283.393	1.536	10	20	CDCD	
COc1ccc(O)c(CN[C@H](C)Cc2cnn(C)c2)c1	772982338	CYUXNXVPFQOIJV-LLVKDONJSA-N	275.352	1.855	10	20	CDCD	
Cn1cnc(/C=C\C(=O)N2C[C@@H](N)Cc3ccccc32)c1	1343685816	HUELEEDEGLIHEJ-FWWRYZNZSA-N	282.347	1.350	10	20	CDCD	
CN1CCCc2cc(CNC(=O)C34CC(CN3)C4)ccc21	1357383865	AXVWRNQXRSRTRC-UHFFFAOYSA-N	285.391	1.437	10	20	CDCD	
C[C@@]1(C(=O)NCc2cccc(O)c2O)CCCO1	1520508400	AGZQWDLWDDVMSP-ZDUSSCGKSA-N	251.282	1.283	10	20	CDCD	
O=C(O)C[C@@H]1COCCN1Cc1cccc(F)c1O	1601963433	LZKAQZSAGAOVCY-SNVBAGLBSA-N	269.272	1.207	10	20	CDCD	
O=C(N[C@@H](C(=O)O)C1CCOCC1)c1cc(O)cs1	1608384322	VMMLYSMSAQEHTR-SNVBAGLBSA-N	285.321	1.063	10	20	CDCD	
O=C(O)[C@@H](C[C@H]1CCCO1)NCc1ccccc1O	1601640377	BOCSAICTYWYKEY-VXGBXAGGSA-N	265.309	1.504	10	20	CDCD	
Cc1nc(N2Cc3cccc(O)c3C2)ccc1-c1nn[nH]n1	1592374245	MMJBNUJAGFQSJH-UHFFFAOYSA-N	294.318	1.796	10	20	CDCD	
C[C@H](N[C@@H]1CC[C@H](C(N)=O)C1)c1cc(C(=O)O)ccc1O	1593353616	BSEGZEZETXTINW-ATZCPNFKSA-N	292.335	1.395	10	20	CDCD	
COc1ccc(O)c(CNc2cnc(C(=O)O)cn2)c1	1777367718	WYIRLONAHDFLHI-UHFFFAOYSA-N	275.264	1.501	10	20	CDCD	
CCNS(=O)(=O)CCN[C@H](CC)c1ccccc1O	229561428	FTEHXTMFUIQYPA-GFCCVEGCSA-N	286.397	1.372	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2cc[nH]c(=O)c2)cc1	152792665	CLWOHBRAEUVFLW-UHFFFAOYSA-N	271.320	1.371	10	20	CDCD	
CCN1C[C@@H](NCc2cc(OC)ccc2O)CC1=O	391564275	YOQPSQYZSQQAFX-NSHDSACASA-N	264.325	1.111	10	20	CDCD	
CC(=O)c1cc(F)cc(CN(CC(N)=O)CC(C)C)c1O	50146209	IZRYYOAIZZFSBZ-UHFFFAOYSA-N	296.342	1.677	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2cnn(C)c2)cc1	8172406	FTQBZAGGOIIOFD-UHFFFAOYSA-N	258.325	1.416	10	20	CDCD	
CN(CCS(C)(=O)=O)Cc1ccc(N(C)C)cc1	122570393	MFVPQLKEYHDMIR-UHFFFAOYSA-N	270.398	1.229	10	20	CDCD	
CCCN(CCO)C(=O)/C=C/c1ccc(O)c(O)c1	180918576	ULIPPIZYDPAHHQ-GQCTYLIASA-N	265.309	1.342	10	20	CDCD	
COCCCC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	183433082	LHECSXJWUPGKHU-JTQLQIEISA-N	267.325	1.572	10	20	CDCD	
COc1cc(CN2CCNC(=O)C2)c(O)c(C(C)(C)C)c1	192469703	AEWGYLZNYWXOFR-UHFFFAOYSA-N	292.379	1.630	10	20	CDCD	
Cc1ccc(O)c(CN2CC(=O)N[C@H]3CCCC[C@@H]32)c1	92703422	WTYCOYLYLBHMKC-KBPBESRZSA-N	274.364	1.944	10	20	CDCD	
CC(C)(C)C(=O)NCCC(=O)NCCc1ccc(N)cc1	236781484	LNWYGJSZVPZZFC-UHFFFAOYSA-N	291.395	1.480	10	20	CDCD	
COc1cc(O)c(CNCC2([S@](C)=O)CC2)cc1OC	281910375	ZYPNUPPPHPMESZ-FQEVSTJZSA-N	299.392	1.410	10	20	CDCD	
C[C@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)NCCF	282864731	UVUZCYJAURFEEM-RYUDHWBXSA-N	281.375	1.877	10	20	CDCD	
CCCOC(=O)CCNC(=O)c1cccc(O)c1O	280744486	WSDIDIGSGQWFOW-UHFFFAOYSA-N	267.281	1.171	10	20	CDCD	
COc1ccc(N(C)CCN2CCNC2=O)c(OC)c1	289647770	CFOXZNCIVSCGKF-UHFFFAOYSA-N	279.340	1.165	10	20	CDCD	
Cc1nnc(NC(=O)c2c(F)ccc(O)c2O)n1C1CC1	297267645	ZFVFJSWDNQADJR-UHFFFAOYSA-N	292.270	1.724	10	20	CDCD	
CC(=O)C(=O)CSc1nncn1-c1ccccc1C	808012678	PPCQNBLWDDMYDD-UHFFFAOYSA-N	275.333	1.826	10	20	CDCD	
COC[C@@H](C)NC(=O)N[C@@H](C)c1cc(OC)ccc1O	729040837	IRPZBAXPJCMDRD-ZJUUUORDSA-N	282.340	1.796	10	20	CDCD	
COC[C@H](CCO)NCc1cc(Cl)c(C)cc1O	825292610	ZKOVSIIGTTYWKY-NSHDSACASA-N	273.760	1.841	10	20	CDCD	
CCOc1cccc(CN2C[C@@H]3CCN(C)[C@@H]3C2)c1O	824893031	IYZCYTWMOGGORQ-GXTWGEPZSA-N	276.380	1.927	10	20	CDCD	
Cc1cc(O)c(CN2C[C@@H](CO)OC[C@H]2C)cc1Cl	824934034	OEVYFTBVTHBKEW-PWSUYJOCSA-N	285.771	1.936	10	20	CDCD	
Cc1cc(O)c(CN2C[C@H](CO)OC[C@@H]2C)cc1Cl	824934032	OEVYFTBVTHBKEW-CMPLNLGQSA-N	285.771	1.936	10	20	CDCD	
Nc1nccnc1C(=O)NCCCSc1nccs1	734129245	NPZJRQNVZVDJIS-UHFFFAOYSA-N	295.393	1.428	10	20	CDCD	
COc1ccc(N(CCCS(N)(=O)=O)CC2CC2)cc1	831587686	GSCVHZUHQFSPAR-UHFFFAOYSA-N	298.408	1.590	10	20	CDCD	
CN(C)c1ccc([C@H](N)CNC(=O)C[C@H]2CCOC2)cc1	832273355	NPOCTBLQTGRZMS-IUODEOHRSA-N	291.395	1.295	10	20	CDCD	
CC[C@@H]1OCC[C@H]1NC(=O)NCc1ccccc1O	838060768	JVWIFLQMPLOJTK-YPMHNXCESA-N	264.325	1.759	10	20	CDCD	
CCOC(=O)[C@@H](C)[C@@H](C)NC(=O)c1cc(O)cs1	832119496	HBWMRMQAWHEJDW-JGVFFNPUSA-N	271.338	1.771	10	20	CDCD	
C[C@H]1CN(CCN[C@@H]2CCc3cccc(O)c32)CCO1	834567216	ZTCFWUZVSKIQEC-GXTWGEPZSA-N	276.380	1.690	10	20	CDCD	
CC[C@@H](O)[C@@H](C)C(=O)N(CC(=O)O)Cc1ccccc1O	911484436	NSBCCYSJPPUMDL-ZYHUDNBSSA-N	295.335	1.212	10	20	CDCD	
O=C(NCc1ccccc1O)NOCc1cccnc1	746810195	BZQRUPSWTVHFTQ-UHFFFAOYSA-N	273.292	1.718	10	20	CDCD	
O=[N+]([O-])c1ccc(O)c(CN[C@H](CO)CCF)c1	846097068	MUIIELYOBAOVBJ-VIFPVBQESA-N	258.249	1.111	10	20	CDCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NS(=O)(=O)N(C)C	841569928	OTJZKKKOSHKETD-GFCCVEGCSA-N	299.440	1.388	10	20	CDCD	
COC[C@H](C)NC(=O)NCCc1ccc(N)cc1	841506251	CHXNSIXYSFNXIG-JTQLQIEISA-N	251.330	1.145	10	20	CDCD	
O=C(COC(=O)/C=C/c1ccc(O)c(O)c1)NCC1CC1	749306170	MWQYVZCJAXTWHB-GQCTYLIASA-N	291.303	1.180	10	20	CDCD	
CN(CCc1ccnn1C)c1ccc(OCC(=O)O)cc1	846279437	DRTWTWNYELEMFQ-UHFFFAOYSA-N	289.335	1.562	10	20	CDCD	
C[C@@H](NCC1(CO)COC1)c1cc(F)cc(F)c1O	756761497	QBQKTJSXWYBODJ-MRVPVSSYSA-N	273.279	1.330	10	20	CDCD	
Cc1n[nH]c(C)c1[C@H](C)C(=O)NCc1ccc(O)c(O)c1	752600785	PCBRZHXXOJNZRZ-QMMMGPOBSA-N	289.335	1.858	10	20	CDCD	
CN1CC[C@@H]1CNCc1c(O)ccc(Cl)c1F	922576772	WOKVGXGSSYNNEK-MRVPVSSYSA-N	258.724	1.978	10	20	CDCD	
COc1ccc(O)c(CN2CCC3(CC2)COC(=O)N3)c1	753586835	JYAPHBWVLRDXRC-UHFFFAOYSA-N	292.335	1.475	10	20	CDCD	
C[C@@H](N[C@H]1CCCN(C)C1=O)c1cc([N+](=O)[O-])ccc1O	756638798	RUNHNBRIRPJVMY-SKDRFNHKSA-N	293.323	1.572	10	20	CDCD	
CCn1cc(C(=O)NCc2ccc(O)c(O)c2)c(C)n1	860243326	KHZKNCKXJWYEOU-UHFFFAOYSA-N	275.308	1.553	10	20	CDCD	
CN(CC(=O)NC1CC1)Cc1cc(F)c(N(C)C)cc1F	862214174	IUEMTKFWQBQLFR-UHFFFAOYSA-N	297.349	1.741	10	20	CDCD	
CN(Cc1cc2c(cc1O)OC[C@H]2O)C[C@@H]1CCCOC1	768453588	ZCLPKCMGFKVOBJ-XHDPSFHLSA-N	293.363	1.676	10	20	CDCD	
CN(C)c1cc(F)c(CN2CCn3ncnc3C2)cc1F	862327607	FFHMNFPZMRNIJX-UHFFFAOYSA-N	293.321	1.638	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2cnc(O)n2C)c1	866765653	YFFCWWHGIRIZEB-MRVPVSSYSA-N	291.307	1.331	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@]2(O)CCSC2)c1	765863018	GHFNKFNPNRVKPU-LKFCYVNXSA-N	297.376	1.446	10	20	CDCD	
CN(Cc1cc2c(cc1O)OC[C@H]2O)C[C@@H]1CCCCO1	768442603	MHRZRFJEGKCEAP-SWLSCSKDSA-N	293.363	1.819	10	20	CDCD	
COCCC(=O)N[C@@H](C)c1ccc(N(C)C)cc1	773012114	FWONBFYDCQDAGT-NSHDSACASA-N	250.342	1.966	10	20	CDCD	
COc1ccc(CN[C@@H]2CC[C@H]2O)cc1Cn1cccn1	873134336	PGJXIUMUCULLPI-HUUCEWRRSA-N	287.363	1.553	10	20	CDCD	
COC(=O)[C@@]1(F)CCN(Cc2c(C)cccc2O)C1	876796050	XAMGLULNWLFKQP-CQSZACIVSA-N	267.300	1.788	10	20	CDCD	
CC[C@@H](N[C@@H]1CCOC[C@H]1O)c1ccc(C)cc1O	872141124	MYOWURDPUMKDRT-UMVBOHGHSA-N	265.353	1.891	10	20	CDCD	
COCCOC(=O)N(C)CCN(C)c1ccc(OC)cc1	885272789	ZIUYTTIHZIEFFM-UHFFFAOYSA-N	296.367	1.846	10	20	CDCD	
C[C@H](N[C@H](CO)C1CCOCC1)c1ccccc1O	783533503	RHQFQKPEQHBUAS-SMDDNHRTSA-N	265.353	1.830	10	20	CDCD	
O=C(/C=C\c1ccc[nH]1)OCC(=O)c1ccc(O)c(O)c1	784849234	IGNSUPJGYBMMIH-XQRVVYSFSA-N	287.271	1.865	10	20	CDCD	
O=C(N[C@H]1CCN(C2CC2)C1)c1c(F)ccc(O)c1O	789963397	MHIJIMAVMCBZER-QMMMGPOBSA-N	280.299	1.203	10	20	CDCD	
COc1cc(C)cc(CNC[C@@H]2CCOC[C@H]2OC)c1O	894887562	FQWBFQQFBDPFJN-SWLSCSKDSA-N	295.379	1.850	10	20	CDCD	
COc1ccc(CNC[C@H]2CCCNC2=O)c(O)c1OC	894866777	BRIHMCDJIQVQEP-LLVKDONJSA-N	294.351	1.025	10	20	CDCD	
COC(=O)[C@@H](C)NCc1ccc(OC)c(OC)c1O	894177940	DJSPQEHNHSQVAD-MRVPVSSYSA-N	269.297	1.061	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)NCC2(N)CC2)c1	1336972695	DMRPXKJFCKTROR-VIFPVBQESA-N	279.340	1.252	10	20	CDCD	
O=C(c1cccc2c1CCNC2)N1CCCc2n[nH]cc21	1343283667	PMCQGIDIJFFJGO-UHFFFAOYSA-N	282.347	1.648	10	20	CDCD	
COc1cccc(O)c1CN(C)CCCN(C)C	809729379	GDZDRFOFDXNFDC-UHFFFAOYSA-N	252.358	1.784	10	20	CDCD	
Nc1ccc(CNC(=O)NC[C@@H]2CCC=CO2)cc1	1357668556	OWLOXEVUGPYSPB-ZDUSSCGKSA-N	261.325	1.761	10	20	CDCD	
CCCc1n[nH]cc1C(=O)NCc1ccc(O)cc1O	1350789937	SNFRBIWMXGQGLJ-UHFFFAOYSA-N	275.308	1.703	10	20	CDCD	
C[C@@H](CN[C@H](C)c1cc(C(=O)O)ccc1O)CN(C)C	1604183829	FUEQVVXKSCSZKL-WDEREUQCSA-N	280.368	1.939	10	20	CDCD	
CC(C)N1CC[C@H](Sc2ncc(C(=O)O)s2)C1=O	1609706632	AOYGUCLIZGTHGI-ZETCQYMHSA-N	286.378	1.943	10	20	CDCD	
Cc1cccc(CN2CCSC[C@@H](C(=O)O)C2)c1O	1610522181	TWVMVSAPKMYOON-LBPRGKRZSA-N	281.377	1.950	10	20	CDCD	
CC(=O)c1cc(F)cc(CN[C@@H](C(=O)O)C2CC2)c1O	1589271102	NDIZDSTXLKZIIL-GFCCVEGCSA-N	281.283	1.687	10	20	CDCD	
CCOc1ccc(O)c(CN2CCOC[C@H]2CC(=O)O)c1	1597129815	IXLYIDZVNOMECB-GFCCVEGCSA-N	295.335	1.466	10	20	CDCD	
C[C@@H](O)[C@@H](NCc1cc(Cl)cc(Cl)c1O)C(=O)O	1776463562	XJRJEGNZDCHYFJ-MLUIRONXSA-N	294.134	1.623	10	20	CDCD	
Cc1ncsc1C(=O)NCc1ccc(O)c(O)c1	158909200	MZUHYDDLKJNRSY-UHFFFAOYSA-N	264.306	1.793	10	20	CDCD	
Cc1cc(C(=O)N[C@@H](CN)C2CC2)c(C)n1-c1ccccn1	159222922	QMQYTWGLADLYAH-HNNXBMFYSA-N	298.390	1.956	10	20	CDCD	
COc1ccc(N(C)CCN(C)S(C)(=O)=O)cc1	844353369	UMRCGAQRLGBUSM-UHFFFAOYSA-N	272.370	1.023	10	20	CDCD	
COCCc1nc(CN(C)c2ccc(OC)cc2)no1	844355328	NLVBFHMRTDTPAF-UHFFFAOYSA-N	277.324	1.904	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)N(C)C	27967737	JSFRUGOJZJVGBV-UHFFFAOYSA-N	285.413	1.381	10	20	CDCD	
CCCOc1ccc(CN2CC[C@H](C(N)=O)C2)c(O)c1	157179676	DVUPYOTVVBXMPM-LBPRGKRZSA-N	278.352	1.488	10	20	CDCD	
C[C@H](CS(C)(=O)=O)N(C)Cc1cc(F)ccc1O	180150626	HSPLUADRLKFUKW-SECBINFHSA-N	275.345	1.396	10	20	CDCD	
COc1cc(Cl)cc(CN2CC[C@H](C(N)=O)C2)c1O	184670822	RALDYBXRPKORPV-QMMMGPOBSA-N	284.743	1.361	10	20	CDCD	
Cn1ncnc1CN1CCCc2cc(CN)ccc21	700924386	OPXJXWJKZWWAQO-UHFFFAOYSA-N	257.341	1.227	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N(C)[C@@H]2CCOC2)cc1	106508824	FBKLUXPMTXFDQY-CQSZACIVSA-N	277.368	1.683	10	20	CDCD	
COC[C@@H]1CN(Cc2cc(F)cc(C(C)=O)c2O)CCO1	79463818	RXWJHYMCFSGDDO-ZDUSSCGKSA-N	297.326	1.581	10	20	CDCD	
c1cc2c(cc1CNCCCN1CCOCC1)CCCO2	124395467	ZWUYPJSQNSMTPH-UHFFFAOYSA-N	290.407	1.824	10	20	CDCD	
C[C@H](CS(C)(=O)=O)NCc1ccc2c(c1)CCO2	78639457	SKDJAGMTUSKYNM-SNVBAGLBSA-N	269.366	1.144	10	20	CDCD	
COCC(C)(C)NCc1cc2c(cc1O)OCO2	134290563	LUCPKYJEOWMPRU-UHFFFAOYSA-N	253.298	1.636	10	20	CDCD	
COc1ccc(O)c(CN2CCCN(C)CC2)c1	131595944	WLYMIYLXGXGSSI-UHFFFAOYSA-N	250.342	1.538	10	20	CDCD	
CC(=O)CSCC(=O)NCc1ccc(N(C)C)cc1	81273331	RGDDGXMXFAGMAL-UHFFFAOYSA-N	280.393	1.691	10	20	CDCD	
Cc1cccc(CN2CC[C@H](C)S(=O)(=O)CC2)c1O	192052157	CNFVCQIRSXTEQC-LBPRGKRZSA-N	283.393	1.710	10	20	CDCD	
COC[C@@](C)(NCc1ccc(N(C)C)cc1)C(=O)OC	193461286	SHWNMCQHPNYHFQ-OAHLLOKOSA-N	280.368	1.420	10	20	CDCD	
CCN1C(=O)C(=CNC2CCCC2)C(=O)N(CC)C1=S	48403040	BQEWABWTFDSDQO-UHFFFAOYSA-N	295.408	1.398	10	20	CDCD	
C[C@@H](OC[C@H]1CCCO1)C(=O)NCCc1ccc(N)cc1	237420972	UTGVHFZGMDHODW-IUODEOHRSA-N	292.379	1.512	10	20	CDCD	
Nc1ccc(CCNC(=O)CC2C[C@@H]3CC[C@H](C2)N3)cc1	237932050	NLQPOIPPQQPVTN-VHRNVKJDSA-N	287.407	1.848	10	20	CDCD	
CCCOc1ccc(CN[C@@H]2CC(=O)N(C)C2)c(O)c1	263782990	WBTBLCJQPTVPKK-GFCCVEGCSA-N	278.352	1.501	10	20	CDCD	
COc1cc(O)c(CN2C[C@@H]3[C@@H](CO)[C@@H]3C2)cc1OC	367838993	IWWMTKLNKYQZFZ-GDNZZTSVSA-N	279.336	1.080	10	20	CDCD	
C[C@@H](O)[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1	272987213	MNMPPPRCLHFTGP-VSEZHWFZSA-N	277.320	1.340	10	20	CDCD	
COC[C@H](CNCc1cc(C)c(C)cc1O)OC	272642338	CTLWSXAPZKEXJV-ZDUSSCGKSA-N	253.342	1.760	10	20	CDCD	
CCNC(=O)CN1CCCCc2cc(OC)ccc21	270870144	LNEAJOZXUMKOIS-UHFFFAOYSA-N	262.353	1.974	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)c1cnn(CCF)c1	288415202	ZYAVVECGQNGWIN-UHFFFAOYSA-N	293.298	1.236	10	20	CDCD	
COC(=O)[C@@H](C)N(C)Cc1cc(OC)ccc1O	280181434	AEQOIZBYOILCGN-SECBINFHSA-N	253.298	1.394	10	20	CDCD	
COC(=O)C[C@@H]1COCCN1Cc1cc(C)c(C)cc1O	377191264	FVJTXOAVCBOXOB-CQSZACIVSA-N	293.363	1.773	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@](C)(O)C2CC2)c1	804460331	IXYWXUVKULEDRL-CQSZACIVSA-N	265.309	1.178	10	20	CDCD	
Cc1cc(C)c([C@H](C)NCCN2C(=O)CNC2=O)c(O)c1	294122350	KVSDQCKTFVRRNT-NSHDSACASA-N	291.351	1.211	10	20	CDCD	
C[C@H]1COCC[C@@H]1CNC(=O)NCc1ccccc1O	805821206	GUPVLMCQPNKOCR-NWDGAFQWSA-N	278.352	1.864	10	20	CDCD	
C[C@H](NC[C@H]1CNCCCO1)c1cc(F)ccc1O	817981282	IKLSAESWJCZRQO-CMPLNLGQSA-N	268.332	1.560	10	20	CDCD	
CN(C)c1ccc(CNCCCC(=O)O)cc1F	818390813	QCYBOATWLRYBDG-UHFFFAOYSA-N	254.305	1.846	10	20	CDCD	
C[C@H](N[C@@H]1CC[C@H]1O)c1ccc(N2CCOCC2)c(F)c1	818358047	QCNMPLVBYFVEIH-SGIREYDYSA-N	294.370	1.836	10	20	CDCD	
CCOC(=O)CN(Cc1ccccc1O)C(=O)CCOC	819696379	ROSJCULUGLBBGE-UHFFFAOYSA-N	295.335	1.320	10	20	CDCD	
CC(C)C[C@H](CNC(=O)c1cc(O)cs1)C(=O)O	826779764	KHILBXPESAUWLR-MRVPVSSYSA-N	271.338	1.930	10	20	CDCD	
Cn1nc(C(=O)NCc2ccccc2O)c2c1CCCC2	825664291	CBCHUFFWXHTXNO-UHFFFAOYSA-N	285.347	1.935	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCN(C)[C@@H]2C)c1	825737113	SMSWSGOLVRMOQQ-DMDPSCGWSA-N	292.379	1.918	10	20	CDCD	
O=C(N[C@@H]1CCN2CCCC[C@@H]12)c1cc(O)cs1	822156403	QIZLPUUDGSRJSN-MNOVXSKESA-N	266.366	1.810	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1NCC1(C)C	829764833	YOTBWWUQNSXDCZ-AWEZNQCLSA-N	275.396	1.675	10	20	CDCD	
Cn1ccnc1N1CCN(Cc2cc(F)ccc2O)CC1	827885122	QXVBUDTWHMWDHH-UHFFFAOYSA-N	290.342	1.587	10	20	CDCD	
O=C(CO)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1	827311190	WUUSETDNUWVITB-LBPRGKRZSA-N	298.770	1.119	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NC[C@@H]2CCN2C)cc1	902933877	NAHTUUOLQCOSMJ-AWEZNQCLSA-N	276.384	1.256	10	20	CDCD	
C[C@H](NC(=O)C1(C(=O)O)CC=CC1)c1ccccc1O	902517279	QKQIYNDUSNCGOB-JTQLQIEISA-N	275.304	1.990	10	20	CDCD	
CN(C)c1ccc(CN[C@@H](CO)C2CC2)cc1F	734163181	BKPUSOVCKZSEDC-ZDUSSCGKSA-N	252.333	1.752	10	20	CDCD	
O=C(COCC1CC1)NCc1ccc(O)cc1O	910951178	DNUXNCLWJFLMGY-UHFFFAOYSA-N	251.282	1.141	10	20	CDCD	
CC[C@@H](C)[C@@](C)(O)CNC(=O)c1cc(O)cs1	743482149	OOWBCPRAAIDJHK-PELKAZGASA-N	257.355	1.981	10	20	CDCD	
CO[C@@](C)(CNC(=O)NCCc1ccc(N)cc1)C1CC1	841910433	HGGKOFWGNWZPON-INIZCTEOSA-N	291.395	1.926	10	20	CDCD	
CCO[C@@H]1C[C@H]1C(=O)N(CC(=O)O)Cc1ccccc1O	911486541	PBSRSJBORARKBE-DGCLKSJQSA-N	293.319	1.230	10	20	CDCD	
O=C(N[C@H]1CCCN2CCCC[C@@H]12)c1cccc(O)c1O	848351918	HOGUABJKHXNAPI-STQMWFEESA-N	290.363	1.845	10	20	CDCD	
Nc1ccc(CCNC(=O)[C@H]2C[C@]23CCCNC3)cc1	848394299	JMAPSALUQLBWSE-ZBFHGGJFSA-N	273.380	1.317	10	20	CDCD	
C[C@@H]1C[C@@H](C)CN(C(=O)C(=O)Nc2ccc(N)cc2)C1	841010528	PEKGAFWASNMWTN-GHMZBOCLSA-N	275.352	1.712	10	20	CDCD	
C[C@H]1OCC[C@@]1(C)NC(=O)NCCc1ccc(N)cc1	841960983	YPGFLKSUSDUYBP-IAQYHMDHSA-N	277.368	1.678	10	20	CDCD	
COc1cc(O)c(CN[C@H]2CCC[C@H](N)C2)cc1OC	841058110	PSZNMEPSEZKMBW-RYUDHWBXSA-N	280.368	1.769	10	20	CDCD	
O=C(NCc1cc(Cl)ccc1O)C1=COCC1	846473645	VGEJOGDBTBWZJL-UHFFFAOYSA-N	253.685	1.966	10	20	CDCD	
C[C@H]1[C@@H](C)NCCN1Cc1ccc(N2CCOCC2)cc1	843056922	CHDJOYQACWLBBM-CABCVRRESA-N	289.423	1.705	10	20	CDCD	
COC(=O)C[C@@H]1CCCN1C(=O)Nc1ccc(N)cc1	841299225	XELXQZXRHHBECB-LBPRGKRZSA-N	277.324	1.828	10	20	CDCD	
C[C@@H](NC(=O)[C@@H](C)S(C)(=O)=O)c1ccccc1O	827930581	LPUJERPFCUYFSW-RKDXNWHRSA-N	271.338	1.003	10	20	CDCD	
CC[C@H]1CCC[C@@H]1NC(=O)C(=O)Nc1ccc(N)cc1	841067018	IMDRGZPTKFGJCD-GWCFXTLKSA-N	275.352	1.902	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)C1(C(=O)NC2CC2)CC1	749733651	WHIQVMLDUPYHAE-UHFFFAOYSA-N	288.347	1.409	10	20	CDCD	
c1cc(N2CCOCC2)ccc1CNC[C@@H]1CCCNC1	841033829	ZXBQLEYDQZNKEW-MRXNPFEDSA-N	289.423	1.612	10	20	CDCD	
NC[C@@H]1CN(Cc2cccc(F)c2O)CC12CCOCC2	843124406	AJLNRKVBUNQHLY-CYBMUJFWSA-N	294.370	1.719	10	20	CDCD	
CC1(C)CCN[C@@H]1C(=O)NCCc1ccc(N)cc1	852795584	ISZHWRSAEBMXRC-CYBMUJFWSA-N	261.369	1.316	10	20	CDCD	
Cc1cc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)nn1C	753643259	FUXQPPCHPWUVSI-SECBINFHSA-N	289.335	1.501	10	20	CDCD	
Cc1nnc(COC(=O)c2cccc(O)c2O)s1	758547703	NAUVWUUAHNGPPI-UHFFFAOYSA-N	266.278	1.615	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)C1(C(=O)O)CCC1	852952894	WMQFUWHCOZMWEI-UHFFFAOYSA-N	290.363	1.932	10	20	CDCD	
CCOc1ccc(CN2CCNC(=O)[C@@H]2C(C)C)c(O)c1	769326822	HUKUIBPUTHTDGQ-HNNXBMFYSA-N	292.379	1.747	10	20	CDCD	
CCO[C@@H](C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)C1CC1	860696387	UGMORPJNPGRHJA-ZUZCIYMTSA-N	293.363	1.960	10	20	CDCD	
Oc1ccccc1CNC1CCN(c2cnccn2)CC1	765624572	AMNCEUGQJXTFHV-UHFFFAOYSA-N	284.363	1.941	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)c2c(C)cnn2C)c1	862754732	IOKKBQNAJJJJHC-UHFFFAOYSA-N	259.309	1.673	10	20	CDCD	
O=S1(=O)CCN(Cc2ccccc2O)[C@@H]2CCCC[C@@H]21	779016258	DCTHKSUEAZBCGO-HIFRSBDPSA-N	295.404	1.934	10	20	CDCD	
COC[C@H]1CN(Cc2ccc(C)cc2O)C[C@H](C)O1	877464198	LYOBLOYMNFZPPT-GXTWGEPZSA-N	265.353	1.936	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCN(C)C1	773764127	XNNXGTQEOQBANW-PWSUYJOCSA-N	278.352	1.097	10	20	CDCD	
Cc1cc(C)c([C@@H](C)N[C@H](C)CC(N)=O)c(O)c1	788630081	FKSUMLMDBRQWDW-GHMZBOCLSA-N	250.342	1.924	10	20	CDCD	
CN(C)c1ccc(CN2C[C@@H](O)C[C@]2(C)CO)cc1F	895332193	SFXVSDQDHRJMHX-SWLSCSKDSA-N	282.359	1.209	10	20	CDCD	
COCC[C@H](CO)N[C@@H](C)c1cc(F)cc(F)c1O	798940139	AOCPCIOHNFBHBI-WCBMZHEXSA-N	275.295	1.718	10	20	CDCD	
Cc1cccc(CNCCO[C@H]2CCOC2)c1O	897202328	RXYDEYPGWHTUFS-ZDUSSCGKSA-N	251.326	1.596	10	20	CDCD	
COc1ccc(O)c([C@H](C)N[C@H](C)C(=O)NC2CC2)c1	135727235	LLBYJTYLUMPRMZ-VHSXEESVSA-N	278.352	1.719	10	20	CDCD	
O=C(OCC(=O)c1ccc(O)cc1O)c1cc(O)cs1	1318716504	CTSCNEJSHWQMIE-UHFFFAOYSA-N	294.284	1.905	10	20	CDCD	
O=C1CC2(CCN(Cc3cc(F)ccc3O)CC2)CN1	272223523	CIOIPADKGIECNS-UHFFFAOYSA-N	278.327	1.633	10	20	CDCD	
CCN(CC)C(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1	1326894260	XEEQHMOFVUCQMW-UHFFFAOYSA-N	291.395	1.579	10	20	CDCD	
C[C@H](NCCCN1CCOCC1)c1ccccc1O	20141608	ZGLJZFAZQIIXRV-ZDUSSCGKSA-N	264.369	1.765	10	20	CDCD	
C[C@@H](CC(N)=O)NCc1c(O)cccc1Br	706883663	UCWDVEMWFJQPLD-ZETCQYMHSA-N	287.157	1.508	10	20	CDCD	
CC[C@@]1(C(=O)N(C)Cc2ccccc2O)CCNC1	62896294	IZWUNMGBQHRSDP-OAHLLOKOSA-N	262.353	1.740	10	20	CDCD	
COc1cccc(O)c1CN1CCC(NC(C)=O)CC1	769191685	BJXAVLDIQXHCTP-UHFFFAOYSA-N	278.352	1.501	10	20	CDCD	
CCN1CCN(Cc2c(O)cccc2OC)C[C@H]1C	769379546	BNYBWJBVDMYSTE-GFCCVEGCSA-N	264.369	1.927	10	20	CDCD	
COc1cccc(CN[C@H]2CCn3ccnc3C2)c1O	778189670	SUWKUGYWPBJUSD-LBPRGKRZSA-N	273.336	1.702	10	20	CDCD	
CC[C@](C)(OC)C(=O)NCc1cccc(O)c1O	1521852576	WZZZWUMWIWDFPI-ZDUSSCGKSA-N	253.298	1.529	10	20	CDCD	
O=C(O)c1cnc(SCC(=O)[C@@H]2CCOC2)s1	1608978841	VENNAVPXHRDHTO-ZCFIWIBFSA-N	273.335	1.539	10	20	CDCD	
C[C@H](NC[C@H]1CNCCCO1)c1cc(C(=O)O)ccc1O	1604338457	OKXNQVKLCZSEEH-CMPLNLGQSA-N	294.351	1.120	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1CC(C)(C(=O)O)C1	1600237366	WZLQUUXSJVXZQE-UHFFFAOYSA-N	262.353	1.968	10	20	CDCD	
COc1cc(C)cc(CN2CCO[C@@H](CC(=O)O)C2)c1O	1607149347	JIXUHEGXOLFNBB-LBPRGKRZSA-N	295.335	1.385	10	20	CDCD	
CCOc1ccc(CN2CCO[C@H](CC(=O)O)C2)c(O)c1	1605692013	VBQVCLUSKCOMSI-CYBMUJFWSA-N	295.335	1.466	10	20	CDCD	
O=C(O)c1cn(CCNCc2cc(Cl)ccc2O)nn1	1602505870	UTQCMYZCQDAHGH-UHFFFAOYSA-N	296.714	1.125	10	20	CDCD	
Cc1nonc1CSc1ncc(C(=O)O)s1	1610577693	WTBNVKVFZRNVCX-UHFFFAOYSA-N	257.296	1.825	10	20	CDCD	
CC[C@H](CNCc1ccc(N2CC[C@@H](O)C2)cc1)C(=O)O	1776714507	LUDBVAIUZUAQJY-UKRRQHHQSA-N	292.379	1.458	10	20	CDCD	
CN(Cc1nnn(C(C)(C)C)n1)Cc1ccccc1O	846824911	QJHYUBHTBAAHLJ-UHFFFAOYSA-N	275.356	1.766	10	20	CDCD	
Cn1nncc1CNCc1ccc2c(c1)CCCO2	922132145	SHLGPEVIDGHIGV-UHFFFAOYSA-N	258.325	1.430	10	20	CDCD	
COc1cccc(CN2CCC[C@H](C)[C@@H]2CN)c1O	226338771	BILZQOTXMNOBLR-AAEUAGOBSA-N	264.369	1.960	10	20	CDCD	
NCCCCNCc1cc(Br)ccc1O	236210133	WXKXDWIQUBTVDX-UHFFFAOYSA-N	273.174	1.983	10	20	CDCD	
C[C@H](CNC(=O)Cc1ccc(N)cc1)N(C)C1CC1	167336019	XVRKEKZJPUGJRX-LLVKDONJSA-N	261.369	1.410	10	20	CDCD	
CCOc1ccccc1NC[C@@H](O)CN(C)C1CC1	311913192	CVRWEPPKONSWKH-CYBMUJFWSA-N	264.369	1.952	10	20	CDCD	
Cc1cc(O)c(CN2CCC[C@H](C(N)=O)C2)cc1C	119918641	XNFFMKOOEDNWNP-LBPRGKRZSA-N	262.353	1.706	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N[C@@H]2CCCC[C@H]2O)cc1	185757253	ADGNPYMXTPLNGG-HUUCEWRRSA-N	291.395	1.855	10	20	CDCD	
CN(C(=O)C(C)(C)S(C)(=O)=O)c1ccc(N)cc1	70127296	OUGXGHUMWWOMGU-UHFFFAOYSA-N	270.354	1.055	10	20	CDCD	
CC[C@@H](NCC[C@@H](O)COC)c1ccccc1O	156986910	AYGOYPXRRFWQIT-DGCLKSJQSA-N	253.342	1.830	10	20	CDCD	
COC[C@H](O)CCN[C@H](C)c1ccc(F)cc1O	186202616	DUPINUGIBDYCNZ-MWLCHTKSSA-N	257.305	1.579	10	20	CDCD	
C[C@@](O)(CNC(=O)c1cccc(O)c1O)c1ccccc1	187094864	AVXJRFVIVWFXNQ-MRXNPFEDSA-N	287.315	1.735	10	20	CDCD	
O=C(O)/C=C\c1ccc(N2CCCOCC2)c([N+](=O)[O-])c1	213170820	JQGDCKAJRFGJKW-HYXAFXHYSA-N	292.291	1.919	10	20	CDCD	
CO[C@@]1(CNCc2cc(Cl)ccc2O)CCOC1	122879559	OICNORIMGNBTRM-CYBMUJFWSA-N	271.744	1.941	10	20	CDCD	
Cc1ccc(O)c([C@H](C)NCCCOCCO)c1	186513929	IWWYIGVRRNACIO-LBPRGKRZSA-N	253.342	1.750	10	20	CDCD	
CC[C@H](C)OCC(=O)NCc1cc(OC)ccc1O	134198944	NTACVAJCLMYWIM-JTQLQIEISA-N	267.325	1.832	10	20	CDCD	
O=C(O)CCCCCNC(=O)/C=C\c1ccc(O)c(O)c1	222860315	BUDRYQYYCHZWDV-VURMDHGXSA-N	293.319	1.872	10	20	CDCD	
CCO[C@H](CCN(C)C)CNC(=O)Cc1ccc(N)cc1	236935833	ICSGUEJERHHFGT-OAHLLOKOSA-N	293.411	1.284	10	20	CDCD	
Cc1cc(C(=O)NC[C@H](O)C2CC2)c(C)n1-c1ccccn1	268445227	UUQHNCZVANTMCA-HNNXBMFYSA-N	299.374	1.990	10	20	CDCD	
CCCNC(=O)CCC(=O)NCc1ccc(O)c(O)c1	269073109	GGAYMIKRHUWXJX-UHFFFAOYSA-N	280.324	1.020	10	20	CDCD	
CCN(C)CCN[C@H](C)c1cc(C(=O)OC)ccc1O	273394067	LOMSOYPOOCJLRX-LLVKDONJSA-N	280.368	1.781	10	20	CDCD	
CCN(C)C(=O)[C@@H](C)N[C@H](C)c1cc([N+](=O)[O-])ccc1O	276698376	VLCVFWWEPMFIGB-NXEZZACHSA-N	295.339	1.818	10	20	CDCD	
Cc1ccc(C(=O)N2CC[C@H]([C@H](C)O)C2)c(O)c1O	272954011	IRKVCCCWXVXYDK-UWVGGRQHSA-N	265.309	1.249	10	20	CDCD	
O=S(=O)(Nc1cc(Cl)c(O)cc1F)c1cnc[nH]1	808114594	CNCIJEZZCBYTEF-UHFFFAOYSA-N	291.691	1.709	10	20	CDCD	
CC(=O)C(=O)COC(=O)COc1ccc2ccccc2c1	808486163	IOCNMDKKMIIJQT-UHFFFAOYSA-N	286.283	1.920	10	20	CDCD	
Cc1nccnc1CCNC(=O)/C=C\c1ccc(O)c(O)c1	818544139	VJGOCVHJGQCKHJ-HYXAFXHYSA-N	299.330	1.568	10	20	CDCD	
CN(C)c1ccc([C@H](N)CN[C@@H]2CCC[C@H]2N)cc1	817941516	RAZAWKXYSMQBGV-RBSFLKMASA-N	262.401	1.222	10	20	CDCD	
C[C@H](CN)CN[C@H](C)c1cc([N+](=O)[O-])ccc1O	817962239	JRWUZZZIAWIAFR-RKDXNWHRSA-N	253.302	1.546	10	20	CDCD	
Cc1ccc(O)c([C@@H](C)NC[C@@H]2CNCCO2)c1	817983256	LGISCAKTCMCQPL-NEPJUHHUSA-N	250.342	1.340	10	20	CDCD	
CC(=O)N1CC[C@](C)(C(=O)N[C@H](C)c2ccccc2O)C1	827936734	BJQOLOKKRVRQDF-BZNIZROVSA-N	290.363	1.828	10	20	CDCD	
Cc1cc(O)c(CNCc2cn(C)nn2)cc1Cl	825484010	GULPTHNQQGPLPL-UHFFFAOYSA-N	266.732	1.772	10	20	CDCD	
COc1cccc(CNC(=O)CN(C)CC(C)(C)C)c1O	821065120	LKILPLYJSCDCIX-UHFFFAOYSA-N	294.395	1.995	10	20	CDCD	
COCCOC1CCN(C(=O)c2cc(O)cs2)CC1	735117648	AXNAUHHKMBNLJH-UHFFFAOYSA-N	285.365	1.721	10	20	CDCD	
COC(=O)CC1CC(NCc2ccc(OC)cc2O)C1	822476767	VYDFLDNBBWKPPU-UHFFFAOYSA-N	279.336	1.832	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CCCNC(=O)O)cc1F	737378010	QCYQNJTUFSGKMT-UHFFFAOYSA-N	297.330	1.556	10	20	CDCD	
C[C@H]1C[C@H](NC(=O)c2c(F)ccc(O)c2O)CCN1C	826076679	IZXRSAKATKTNOO-DTWKUNHWSA-N	282.315	1.449	10	20	CDCD	
O=C(O)C[C@@]1(NCc2ccc3c(c2)CCO3)CCOC1	901836820	KOZOUFKDMCKJGR-HNNXBMFYSA-N	277.320	1.345	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2c(C)cnn2C)c1	839684012	MBYPOLOSDVKAFI-UHFFFAOYSA-N	275.308	1.373	10	20	CDCD	
COc1cccc(CNC(=O)C[C@H]2CCC(=O)N2C)c1O	830539833	AEWNFJBFFKOCHP-LLVKDONJSA-N	292.335	1.028	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)NCc1cccc(CO)c1	588405180	OWTISZVYSVYKCY-ALCCZGGFSA-N	299.326	1.920	10	20	CDCD	
O=C(NC[C@@H](O)COc1ccccc1)c1cc(O)cs1	731869805	WIHIMPRBTHMGQY-LLVKDONJSA-N	293.344	1.623	10	20	CDCD	
O=C1CC[C@@H](COC(=O)c2cc(O)cs2)CCN1	837515535	VJRCFJPPGCVADE-MRVPVSSYSA-N	269.322	1.527	10	20	CDCD	
COc1cc(O)c(CN2CCN[C@@H](C(C)C)C2)cc1OC	843103669	CTNVHDSNNYOPBX-CYBMUJFWSA-N	294.395	1.839	10	20	CDCD	
C[C@@H]1SCC[C@H]1NC(=O)c1c(F)ccc(O)c1O	844153756	QKJVSRRBSRGDRQ-POYBYMJQSA-N	271.313	1.861	10	20	CDCD	
CCO[C@@H](C(=O)NCc1ccc(O)cc1O)C1CC1	910943302	MMKIODKURGFAKZ-CYBMUJFWSA-N	265.309	1.529	10	20	CDCD	
COC(=O)C12CC(C(=O)NCc3ccccc3O)(C1)C2	843831864	IJGYNZUPLDPOTA-UHFFFAOYSA-N	275.304	1.352	10	20	CDCD	
COc1cccc(CNCC2(N)CCCC2)c1O	849350494	ZLCUEWLISUCDAA-UHFFFAOYSA-N	250.342	1.762	10	20	CDCD	
C[C@H]1CN(C(=O)C(=O)Nc2ccc(N)cc2)CCC1(F)F	841132915	KADFTLILOMJGOQ-VIFPVBQESA-N	297.305	1.711	10	20	CDCD	
COc1cc(CNC[C@@H](O)CO)c(O)c(C(C)(C)C)c1	850282209	RTXJEJYPZFQVJF-LLVKDONJSA-N	283.368	1.141	10	20	CDCD	
COc1ccc(O)c(CN2CC[C@@H](C)[C@H](CO)C2)c1	857061175	LEVNLAQBPFFZBE-YPMHNXCESA-N	265.353	1.851	10	20	CDCD	
CC[C@@H](CN1CCOCC1)NCc1cc(C)ccc1O	922588807	BSPPIJLARFDIMW-HNNXBMFYSA-N	278.396	1.901	10	20	CDCD	
Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCCO	858098200	HZTDYRAFGZFLCN-UHFFFAOYSA-N	286.331	1.629	10	20	CDCD	
CC[C@H](NC)C(=O)NCc1ccc(N(C)C)cc1C	852807337	SYHWQQUPFARRAL-AWEZNQCLSA-N	263.385	1.675	10	20	CDCD	
CNC[C@H](C)NC(=O)NCc1c(O)ccc2c1CCCC2	851682941	XBFBJYBISJTMEC-NSHDSACASA-N	291.395	1.678	10	20	CDCD	
C[C@H](NC[C@@H]1CN(C)CCN1C)c1cc(F)cc(F)c1O	756568395	DRTQIKDJKYSATF-CMPLNLGQSA-N	299.365	1.567	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@@H](C)C[C@@H](C)O)c1	757659043	XJTZLKSJLAHCLL-AXFHLTTASA-N	281.352	1.989	10	20	CDCD	
CN(Cc1cc(F)ccc1O)[C@]1(CO)CCOC1	862426265	BYPDJZKTECXBPB-ZDUSSCGKSA-N	255.289	1.115	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN(C)C[C@H](C)N)c1O	863651792	NDWXAXWBHSHJHA-QMMMGPOBSA-N	269.301	1.088	10	20	CDCD	
CC(=O)NC(C)(C)C(=O)NCc1cc(C)ccc1O	862758627	FDPKEYBTEHYWPJ-UHFFFAOYSA-N	264.325	1.232	10	20	CDCD	
CN(CC(=O)N1CCCC1)Cc1ccc(N(C)C)c(F)c1	768215469	UOEOVYOAWGNCRW-UHFFFAOYSA-N	293.386	1.946	10	20	CDCD	
CCC[C@](C)(O)CNCc1ccc([N+](=O)[O-])c(OC)c1O	775012697	RXAHPVOSYVDFKN-AWEZNQCLSA-N	298.339	1.950	10	20	CDCD	
C[C@H](c1ccc(N2CCOCC2)cc1)N1C(=O)CNC1=O	777625392	MLGBBIUCKGBRTJ-LLVKDONJSA-N	289.335	1.136	10	20	CDCD	
CC1(O)CN(Cc2cccc(Br)c2O)C1	877581198	QCOWANNATMLYRP-UHFFFAOYSA-N	272.142	1.721	10	20	CDCD	
C[C@H](NC(=O)CCn1ccnn1)c1ccc(N(C)C)cc1	773013048	ZGIIYXKJWSIKNE-LBPRGKRZSA-N	287.367	1.612	10	20	CDCD	
COc1cccc(CN2CCCC[C@@H]2CNC(C)=O)c1O	877675488	RISPDXWYSWEKCW-CQSZACIVSA-N	292.379	1.891	10	20	CDCD	
Oc1c(Cl)cccc1CN1CCn2ncnc2C1	770664988	YPJQIAQDLGUJFF-UHFFFAOYSA-N	264.716	1.653	10	20	CDCD	
CC[C@@](C)(CCO)NC(=O)NCc1ccc(N)cc1	1120677824	XTASOLKJSMBLIZ-AWEZNQCLSA-N	265.357	1.619	10	20	CDCD	
C[C@@]1(CNC(=O)/C=C\c2ccc(O)c(O)c2)CCOC1	779519858	FJOFRQIKNAVTBY-QTLSWZBMSA-N	277.320	1.654	10	20	CDCD	
Cc1cc(Cn2cc(CCN(C)C)nn2)ccc1N(C)C	881378788	SGVMGKMXPVYYJZ-UHFFFAOYSA-N	287.411	1.805	10	20	CDCD	
CCN(C)c1ccc(Cn2cc([C@@H](C)O)nn2)cc1	881314704	BEYOYCNMFWZJAQ-LLVKDONJSA-N	260.341	1.836	10	20	CDCD	
CC[C@](C)(CO)NC(=O)/C=C/c1ccc(O)c(O)c1	782027273	WPXAIHMZUDSLQL-HZRUHFOJSA-N	265.309	1.388	10	20	CDCD	
C[C@@H]1OC(=O)N[C@H]1C(=O)NCc1ccc(N(C)C)c(F)c1	788531351	SGMQDYGXXBFTKW-QPUJVOFHSA-N	295.314	1.005	10	20	CDCD	
Oc1ccc(Cl)c(F)c1CNC[C@@H]1COCO1	894879516	ZTINQMMWANEVGA-SSDOTTSWSA-N	261.680	1.647	10	20	CDCD	
CC(C)O[C@@H]1CCN(C(=O)c2cccc(O)c2O)C1	706459760	JBCKYNUUIPHPEN-SNVBAGLBSA-N	265.309	1.737	10	20	CDCD	
CC[C@H](NC(C)=O)C(=O)N(C)Cc1ccccc1O	709062378	WXHGJZGXPOYZJY-LBPRGKRZSA-N	264.325	1.265	10	20	CDCD	
CC(C)(C)N1CC[C@@H]1C(=O)NCc1cccc(O)c1O	1347542620	OVWPZPHGLBTUDU-LLVKDONJSA-N	278.352	1.587	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@H]2C[C@@H](C(=O)O)C2)c1	1607811374	JLZYTKKHINNOAD-AOOOYVTPSA-N	263.293	1.428	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1C[C@@H](O)C[C@H](C(=O)O)C1	1600236148	APSFDKMNDSRJPJ-ZFWWWQNUSA-N	292.379	1.328	10	20	CDCD	
Cc1ccc(C(=O)N[C@](C)(CCF)C(=O)O)c(O)c1O	1600338216	VIBBLYJSPNVWOY-CYBMUJFWSA-N	285.271	1.339	10	20	CDCD	
CN(C)c1ccc(CNc2ncc(C(=O)O)cn2)cc1F	1606056032	ULAFLOKURBDXQL-UHFFFAOYSA-N	290.298	1.992	10	20	CDCD	
CCOCCNC(=O)NCCc1ccc(N)cc1	841677640	XADFMIIBEAYSTL-UHFFFAOYSA-N	251.330	1.147	10	20	CDCD	
C[C@@H]1CCN(C(=O)c2c(F)ccc(O)c2O)C[C@H]1C(=O)O	1589348036	LJRRZKXFFNTHQP-HTQZYQBOSA-N	297.282	1.420	10	20	CDCD	
C[C@H](CSc1ncc(C(=O)O)s1)S(C)(=O)=O	1592833052	ZKESIAKLYHPTAU-RXMQYKEDSA-N	281.380	1.367	10	20	CDCD	
O=C(O)c1ccc(S(=O)(=O)NCc2ccccc2O)o1	228403255	ALOFEPKCWLCXLZ-UHFFFAOYSA-N	297.288	1.162	10	20	CDCD	
C[C@@H](NCc1cc2c(cc1O)OCO2)c1cn[nH]c1	229884893	ZBGJRXPFDLOVNX-MRVPVSSYSA-N	261.281	1.695	10	20	CDCD	
COCC[C@@](C)(O)CN[C@@H]1CCc2cccc(O)c21	297823355	RLNAPYRXOLTZEF-IUODEOHRSA-N	265.353	1.757	10	20	CDCD	
COc1cccc(CN2CCC[C@@H](C)[C@H]2CN)c1O	70175479	BILZQOTXMNOBLR-DGCLKSJQSA-N	264.369	1.960	10	20	CDCD	
Cc1ccc(C(=O)N(C)Cc2ccccc2O)c(=O)[nH]1	77258440	LGOIQTXNISDQNJ-UHFFFAOYSA-N	272.304	1.661	10	20	CDCD	
Oc1c(F)cc(F)cc1CNC[C@@H]1CC[C@H](O)C1	708548241	DDIKVUXGPULJKR-KCJUWKMLSA-N	257.280	1.921	10	20	CDCD	
C[C@H](NCCO)c1cc(Br)ccc1O	134835081	AXESBTRPYHTBQV-ZETCQYMHSA-N	260.131	1.798	10	20	CDCD	
CN(C)c1ccc(CN2CCS(=O)CC2)cc1	119369225	HEKAFWYBVNNHNU-UHFFFAOYSA-N	252.383	1.317	10	20	CDCD	
C[C@H](O)CN[C@@H](C)c1ccc(N2CCOCC2)cc1	179577260	GXVMXWIGUWVDHE-STQMWFEESA-N	264.369	1.555	10	20	CDCD	
NC(=O)[C@H]1CCN(Cc2cc(Br)ccc2O)C1	157068293	BWEMDRHTWNYTQM-QMMMGPOBSA-N	299.168	1.462	10	20	CDCD	
CC[C@@H](SC)C(=O)NCc1ccc(O)c(O)c1	182520065	YQFLCWYYRBFMKA-LLVKDONJSA-N	255.339	1.856	10	20	CDCD	
CC[C@](C)(CCO)NC(=O)/C=C/c1ccc(O)c(O)c1	181323845	NDQHCODMNKJKMY-KEDPEKRHSA-N	279.336	1.778	10	20	CDCD	
C[C@@H](O)C(=O)N1CCN(Cc2c(O)cccc2Cl)CC1	131651984	XGMJEDSCVACEDZ-SNVBAGLBSA-N	298.770	1.071	10	20	CDCD	
N[C@@H](C(=O)NCc1ccccc1O)C1CCCCC1	1118206054	UPVNMFKTJNCAJF-CQSZACIVSA-N	262.353	1.916	10	20	CDCD	
COC(=O)[C@H](C)N1CCN(c2ccc(OC)c(F)c2)CC1	84866337	RBJUUFWGFAHYQM-NSHDSACASA-N	296.342	1.518	10	20	CDCD	
CCOc1ccc(O)c(CN(CCOC)[C@H](C)C(N)=O)c1	93139309	ZLEZIAFXAOHKDA-LLVKDONJSA-N	296.367	1.113	10	20	CDCD	
Oc1c(Cl)cccc1CNC[C@@H]1COCCN1	530181291	LHMTUPBRQKSYEJ-SNVBAGLBSA-N	256.733	1.124	10	20	CDCD	
C[C@H](N[C@@H](CO)c1cnn(C)c1)c1ccccc1O	272818270	FJGPBZRYVXKKNR-GWCFXTLKSA-N	261.325	1.510	10	20	CDCD	
CCc1nc([C@H](C)NC(=O)c2ccc(C)c(O)c2O)n[nH]1	273068733	ZRXXLPIYVKOMED-QMMMGPOBSA-N	290.323	1.578	10	20	CDCD	
C[C@H](N[C@@H](C)c1nncn1C)c1cc([N+](=O)[O-])ccc1O	273612482	WLNLURZVVYJSKD-IUCAKERBSA-N	291.311	1.841	10	20	CDCD	
Cc1ccc(C(=O)N2CCc3[nH]ncc3C2)c(O)c1O	271312441	VTVFAJIOBPMQFY-UHFFFAOYSA-N	273.292	1.328	10	20	CDCD	
COc1cccc(CNC(=O)OC2CCOCC2)c1O	289412734	HAISHUUFCBJVFX-UHFFFAOYSA-N	281.308	1.806	10	20	CDCD	
COCC1(C(=O)N(C)Cc2ccccc2O)CCOCC1	289686753	CRYISTMZSPHQTR-UHFFFAOYSA-N	293.363	1.794	10	20	CDCD	
C=Cn1cc(CNCc2cccc(OC)c2O)cn1	809740469	ZSMDZEGXRYFKOJ-UHFFFAOYSA-N	259.309	1.988	10	20	CDCD	
CC(=O)C(=O)CSc1ncnc2ccsc12	808019225	VLUDWRCARYPRAR-UHFFFAOYSA-N	252.320	1.942	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)c2cn(C)nn2)c1	809665780	BJQRVYAATMPTIJ-QMMMGPOBSA-N	276.296	1.020	10	20	CDCD	
COC[C@H](O)CN[C@H](C)Cc1ccc(N(C)C)cc1C	819377136	MZRSSONHKOBTEC-CZUORRHYSA-N	280.412	1.589	10	20	CDCD	
COC[C@H](O)CNCc1ccc2ccccc2c1O	816601116	SAMWOJIXXFOVOQ-CYBMUJFWSA-N	261.321	1.642	10	20	CDCD	
CSC[C@H](O)CNCc1ccc(N(C)C)cc1	818941926	UIVPZZZVTJWLPT-CYBMUJFWSA-N	254.399	1.566	10	20	CDCD	
CCOCCON1C(=O)CN(Cc2ccccc2O)C1=O	819169833	DPMKEUUYQUBNKF-UHFFFAOYSA-N	294.307	1.125	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCO[C@@H]2C[C@H]21	813647717	XSIXRAOTXSHYFA-HUUCEWRRSA-N	289.379	1.744	10	20	CDCD	
CC1=NO[C@@H](C(=O)NCc2ccc(N(C)C)cc2C)C1	827963215	ZYGFLUSWUAQQIQ-CQSZACIVSA-N	275.352	1.842	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)NCC1(N(C)C)CC1	827883921	QKALNFUNBLUCOG-UHFFFAOYSA-N	277.368	1.628	10	20	CDCD	
Nc1ccc(CC(=O)NC[C@@H](CO)Cc2ccccc2)cc1	831160929	LLHLVRZZABYCIR-INIZCTEOSA-N	298.386	1.779	10	20	CDCD	
CC[C@@H](O)[C@H](C)C(=O)N1CCOc2cc(N(C)C)ccc21	900894951	KOUGWYBVWILNSR-SMDDNHRTSA-N	292.379	1.885	10	20	CDCD	
C[C@@](O)(C(=O)NCCc1ccc(N)cc1)C1CCC1	904926305	SSHODDLISLGTOY-HNNXBMFYSA-N	262.353	1.479	10	20	CDCD	
COC(=O)CC(=O)NCc1cc(Cl)ccc1O	911899297	VRNNMSYESOGNSD-UHFFFAOYSA-N	257.673	1.225	10	20	CDCD	
CC[C@@H]1OCC[C@H]1NC(=O)c1ccc(C)c(O)c1O	838301626	LRXCESGKKNYXEB-MNOVXSKESA-N	265.309	1.704	10	20	CDCD	
COc1cc2c(c(OC)c1)N(CC(=O)NC(C)C)CCC2	839654690	PCKXFUQJVAMAAU-UHFFFAOYSA-N	292.379	1.981	10	20	CDCD	
CO[C@@H]1COC[C@@H]1NCc1ccc(N(C)C)cc1C	840951832	CPIHGNQFQFGDPO-LSDHHAIUSA-N	264.369	1.564	10	20	CDCD	
CN(C)c1ccc(CN[C@H](Cc2ccncc2)C(=O)O)cc1	848640078	NGPWFECUIFQEQL-MRXNPFEDSA-N	299.374	1.933	10	20	CDCD	
Cc1cc(O)c(CN2CCC(O)(CN)CC2)cc1C	841108431	ZKGFRNQFPWQASV-UHFFFAOYSA-N	264.369	1.295	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNC[C@@H]2C[C@H](F)CN2)c1O	841080766	ZDVJTCWVMHBGNK-UWVGGRQHSA-N	299.302	1.099	10	20	CDCD	
Cc1ccc(C(=O)NCC[C@@]2(O)CCCOC2)c(O)c1O	846594755	CGLVXNVHTWCCEW-HNNXBMFYSA-N	295.335	1.068	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)N[C@@H](CN)C1CC1	841946752	KWUFZJONXRLOKP-LBPRGKRZSA-N	263.341	1.271	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@]1(F)CCNC1	843487867	KXPPQCXJHVHWSL-INIZCTEOSA-N	293.386	1.803	10	20	CDCD	
Cc1ccc(C(=O)N2CC[C@H](N(C)C)[C@H]2C)c(O)c1O	854651952	FHFORBAAPKESIM-PWSUYJOCSA-N	278.352	1.571	10	20	CDCD	
CN(C(=O)/C=C\c1ccc(O)c(O)c1)C1(CO)CC1	854436345	XTHJTJYVAYLRNT-HYXAFXHYSA-N	263.293	1.094	10	20	CDCD	
C[C@@H](NCCN1CC[C@H](O)C1)c1cc(F)ccc1O	858602099	QAMYAYAMWRSXNG-PWSUYJOCSA-N	268.332	1.249	10	20	CDCD	
CCc1noc(COCC(=O)NCc2ccccc2O)n1	934935219	GAMMFTBQUBBCGJ-UHFFFAOYSA-N	291.307	1.171	10	20	CDCD	
CCC[C@@H](CCO)NC(=O)/C=C/c1ccc(O)c(O)c1	869866083	CVROITKHZOKIOJ-PZBABLGHSA-N	279.336	1.778	10	20	CDCD	
O=C(NCCCN1CCC(O)CC1)c1cc(O)cs1	761575293	WQIDVVKCXKXAFP-UHFFFAOYSA-N	284.381	1.030	10	20	CDCD	
Cc1ccc(CNC[C@@]2(O)CCO[C@@H]2C)c(O)c1	877489021	JPMCHYNYLPWVFS-RISCZKNCSA-N	251.326	1.330	10	20	CDCD	
CC[C@H](NC(C)=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	867504162	SKKHRBAXYUDPQI-NHYWBVRUSA-N	291.395	1.845	10	20	CDCD	
CC(=O)c1cc(F)cc(CN(C)C[C@H](C)N)c1O	863565172	BCUIEKYMPNBAOL-QMMMGPOBSA-N	254.305	1.513	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H](O)C(C)(C)C	765121880	GMERBSBCXALLNC-AWEZNQCLSA-N	292.379	1.885	10	20	CDCD	
CCOc1ccc(CN2CCN(C(=O)OC)CC2)c(O)c1	768931042	BIOXFVFOMKRNRK-UHFFFAOYSA-N	294.351	1.675	10	20	CDCD	
Cc1ccc(CN(C)[C@@H](CO)COC(C)C)c(O)c1	877531487	NXXJHRUGVYLXPD-AWEZNQCLSA-N	267.369	1.918	10	20	CDCD	
COC(=O)[C@H]1C[C@H](NC(=O)NCc2cc(C)ccc2O)C1	875755705	VBQUAWSGUQMIQY-UMSPYCQHSA-N	292.335	1.451	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NCCn2ccccc2=O)c1	775369961	CTANRMFOBKLLOH-GFCCVEGCSA-N	288.347	1.913	10	20	CDCD	
CN1CCN(c2ccc(CNCc3ccnn3C)cc2)CC1	775979904	YYKJVIMVVZAPJR-UHFFFAOYSA-N	299.422	1.462	10	20	CDCD	
CN(C(=O)c1cc([C@@H]2CCNC2)[nH]n1)c1ccc(N)cc1	877077572	NHYDIBVKMIHCHK-SNVBAGLBSA-N	285.351	1.345	10	20	CDCD	
C[C@@H](NC(=O)C1(C(N)=O)CCC1)c1ccc(N(C)C)cc1	775402729	GHVVIQBBXSWCLN-LLVKDONJSA-N	289.379	1.585	10	20	CDCD	
Cc1cc(NS(=O)(=O)c2ccn(C)n2)c(C)c(C)c1O	775292181	UIRHCEDSMKMPHQ-UHFFFAOYSA-N	295.364	1.852	10	20	CDCD	
O=C(CCn1cc(Cl)cn1)NCc1ccc(O)c(O)c1	778919806	MZUIEUPBLGVEEC-UHFFFAOYSA-N	295.726	1.654	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)C2(O)CCOCC2)c1	773408110	QJXROBNDTJQDNQ-SNVBAGLBSA-N	295.335	1.120	10	20	CDCD	
C[C@@](CO)(NC(=O)/C=C/c1ccc(O)c(O)c1)C1CC1	779535013	UOMWEKJSBNCCIY-MIOHMZDASA-N	277.320	1.388	10	20	CDCD	
CC(C)(O)[C@@H]1CCCN(C(=O)c2c(F)ccc(O)c2O)C1	881456532	QYMCRUFGOARDCS-SECBINFHSA-N	297.326	1.860	10	20	CDCD	
C[C@H](N[C@@H]1CC(=O)N(C)C1)c1c(O)cccc1F	886521382	ZRPZVLOHPYWCSP-DTWKUNHWSA-N	252.289	1.413	10	20	CDCD	
C[C@H]1C[C@H](O)CN1Cc1cc(Cl)cc([N+](=O)[O-])c1O	788268551	FKMDQIJEOLNIQT-XVKPBYJWSA-N	286.715	1.909	10	20	CDCD	
COc1cccc(CN2CC[C@H](c3n[nH]c(C)n3)C2)c1O	895007910	PHMFLVLNQFGAEC-LBPRGKRZSA-N	288.351	1.817	10	20	CDCD	
COCCN(Cc1cc(C)cc(OC)c1O)[C@H](C)C(N)=O	894006329	SXVKLUNOTWXORZ-LLVKDONJSA-N	296.367	1.031	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CC1OCCO1	788628370	XXCXATYYCDYZKS-UHFFFAOYSA-N	278.352	1.474	10	20	CDCD	
COc1ccc(CN2CCOC[C@@H](C)C2)c(O)c1OC	892077814	ZBUOQSQCQONAOO-NSHDSACASA-N	281.352	1.878	10	20	CDCD	
O=C(c1c(F)ccc(O)c1O)N1CC[C@@H]2OCCC[C@H]2C1	1324411381	BMCLRFGXHBXGSR-CABZTGNLSA-N	295.310	1.878	10	20	CDCD	
C[C@H](CN1CCOCC1)NCc1cc(F)cc(F)c1O	708393480	FTBYTBZNQUAASF-SNVBAGLBSA-N	286.322	1.481	10	20	CDCD	
Nc1ccc(CNC(=O)N2CC[C@H]3OCCC[C@@H]3C2)cc1	1262603899	YMFOFQWAVLEULA-UKRRQHHQSA-N	289.379	1.979	10	20	CDCD	
CC[C@H](C)CCNC(=O)C(=O)NCCc1ccc(N)cc1	1261633607	KQFRMSVWYLBTFG-LBPRGKRZSA-N	291.395	1.480	10	20	CDCD	
COc1cc(CN2C[C@H](C)O[C@H](C(=O)O)C2)c(O)cc1C	1607159726	CSWTWTKXMHINIL-HZMBPMFUSA-N	295.335	1.383	10	20	CDCD	
O=C(O)[C@@H](C[C@H]1CCCOC1)NCc1cccc(F)c1O	1601642839	QQGXJXPUGYQOHS-ZWNOBZJWSA-N	297.326	1.891	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCCC(=O)O	1604232959	PLAJNLWOZNPGJY-VIFPVBQESA-N	281.308	1.400	10	20	CDCD	
O=C(O)[C@H](CC(F)F)NCc1cc2c(cc1O)OCO2	1610716073	WNNOGTMBEHHLOL-ZETCQYMHSA-N	289.234	1.319	10	20	CDCD	
C[S@](=O)CCSc1ncc(C(=O)O)s1	1610378831	JRUNULWOZUZIDR-AWEZNQCLSA-N	251.354	1.312	10	20	CDCD	
Cc1occc(=O)c1OCC(=O)Oc1ccc(N)cc1	1579928156	HSUHOUUAZISFJE-UHFFFAOYSA-N	275.260	1.515	10	20	CDCD	
CC(C)c1ccc(O)c(CN2CCN[C@@H](CCO)C2)c1	1575858462	GNFHXXIAXIBZAN-HNNXBMFYSA-N	278.396	1.672	10	20	CDCD	
NCC[C@H](NCc1ccc(F)c(F)c1O)C(F)F	1580284822	UCBUHEBZMAYCIA-QMMMGPOBSA-N	266.238	1.743	10	20	CDCD	
CC(C)[C@H](C(=O)O)C(=O)OCC(=O)c1ccc(O)c(O)c1	1588811777	AXPUXIZXWLNNFA-GFCCVEGCSA-N	296.275	1.181	10	20	CDCD	
C[C@@H]1CCN2[C@@H](c3cc(C(=O)O)ccc3O)NC(=O)[C@H]2C1	1594439947	YXWJQOMHTWPZTR-DYLAAIIWSA-N	290.319	1.319	10	20	CDCD	
Cc1ccc(O)c(CNCc2ccc(-c3nn[nH]n3)cn2)c1	1592186032	HHYWVUJIQBPZMK-UHFFFAOYSA-N	296.334	1.566	10	20	CDCD	
CCn1nccc1C(=O)NCCc1ccc(N)cc1	818544672	GZWYSCBZTVRIAT-UHFFFAOYSA-N	258.325	1.458	10	20	CDCD	
CN(CCc1ccncc1)C(=O)c1cccc(O)c1O	126273486	HEHFASSSNHWSGN-UHFFFAOYSA-N	272.304	1.808	10	20	CDCD	
C[C@H](NC[C@]1(O)CCO[C@H]1C)c1cc(F)ccc1O	278730074	JCHNBXYDTOJYLR-PKFCDNJMSA-N	269.316	1.722	10	20	CDCD	
CS(=O)(=O)CC1CCN(Cc2ccccc2O)CC1	292734621	GSYHTXISSUIMTF-UHFFFAOYSA-N	283.393	1.649	10	20	CDCD	
C[C@H]1CCCN(C(=O)CN(C)c2ccc(N)cc2)C1	702092665	KXLVDRJYMUSLOE-LBPRGKRZSA-N	261.369	1.964	10	20	CDCD	
Oc1cc2c(cc1CNC[C@@]1(O)CCSC1)OCO2	702246716	JLZXUQFIFNQZPL-ZDUSSCGKSA-N	283.349	1.079	10	20	CDCD	
C[C@H](NCc1cc(F)cc(F)c1O)C(=O)N(C)C	708441033	HPKGOJUGSWSXQD-ZETCQYMHSA-N	258.268	1.237	10	20	CDCD	
CCN1C[C@H](N[C@@H]2CCc3cccc(O)c32)CC1=O	391527334	FMYMCCZVBXXSIV-VXGBXAGGSA-N	260.337	1.590	10	20	CDCD	
C[C@@H](NC(=O)[C@@H]1CCCCS1(=O)=O)c1ccccc1O	827941517	SYBKOODFTPRDGY-MFKMUULPSA-N	297.376	1.537	10	20	CDCD	
Cc1ccc(C)n1-c1ccsc1C(=O)OCC(N)=O	56231725	PFVFOOLEKGIKRT-UHFFFAOYSA-N	278.333	1.798	10	20	CDCD	
Oc1ccccc1CN1CCC[C@@H](CN2CCOCC2)C1	179569372	HSXXMFGHBBZUNV-HNNXBMFYSA-N	290.407	1.936	10	20	CDCD	
OCC1(CNCc2ccc(N3CCOCC3)cc2)CCC1	184372032	PMTZLQPRCPIVFQ-UHFFFAOYSA-N	290.407	1.775	10	20	CDCD	
CCN(CCO)CCNCc1cccc(C)c1O	187569415	NFYRJQQNTOGNMD-UHFFFAOYSA-N	252.358	1.104	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)c1ccnc(F)c1F	189520343	IPNUSPYIOYZPNK-UHFFFAOYSA-N	294.257	1.744	10	20	CDCD	
CCOc1cccc(CNC[C@@H](C)N(C)C)c1O	38088864	BHFOBKBDBYOUMK-LLVKDONJSA-N	252.358	1.831	10	20	CDCD	
CCc1nc(CN(C)c2ccc3c(c2)OCO3)n[nH]1	181773873	YDBREBNDEPPQKF-UHFFFAOYSA-N	260.297	1.732	10	20	CDCD	
COc1ccc(N2CCN(c3nc(C)cc(N)n3)CC2)cc1	74934106	WWRSSRARYYRUCR-UHFFFAOYSA-N	299.378	1.702	10	20	CDCD	
COc1cccc(CN2C[C@@H](C)[C@@H](C(=O)O)C2)c1O	86774522	NBMICBJYCPJAHB-KOLCDFICSA-N	265.309	1.553	10	20	CDCD	
CSc1cccc(NC=C2C(=O)NC(=S)NC2=O)c1	48403025	SUKQKNIPDCTKPK-UHFFFAOYSA-N	293.373	1.235	10	20	CDCD	
CCOc1ccc(O)c(CN[C@H](C)CN2CCOCC2)c1	236849562	VLMGOGHQJLLZNU-CYBMUJFWSA-N	294.395	1.601	10	20	CDCD	
C[C@H]1CN(Cc2ccc(N(C)C)cc2)C[C@@H](CO)O1	248866191	AZTOQVPGTOTCIE-WFASDCNBSA-N	264.369	1.334	10	20	CDCD	
CCN(CCNC(=O)c1c(F)ccc(O)c1O)C1CC1	276615998	QDXWTOTWIBHJLC-UHFFFAOYSA-N	282.315	1.451	10	20	CDCD	
Cc1nc([C@H]2COCCN2Cc2cccc(C)c2O)no1	374817851	IQWHUWOHCKWFET-CYBMUJFWSA-N	289.335	1.966	10	20	CDCD	
CN(C)c1ccc(CN2CCS(=O)(=O)CC2(C)C)cc1	284896432	GILXJYVYFLYUKJ-UHFFFAOYSA-N	296.436	1.762	10	20	CDCD	
Cc1ccc([C@H](C)N[C@@H](C)C(=O)NCCF)c(O)c1	282489954	HQLDOZVVKANRTR-QWRGUYRKSA-N	268.332	1.825	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@H]2C[C@@]23CCNC3)cc1F	372445536	KEWCIIBDISKLES-BLLLJJGKSA-N	291.370	1.508	10	20	CDCD	
CN(C)c1ccc(CN(C(=O)c2ncn(C)n2)C2CC2)cc1	289360748	AATDQQRMBKIRBT-UHFFFAOYSA-N	299.378	1.686	10	20	CDCD	
C[C@@]1(O)CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1	280698253	WPPFRNFOTUOQGZ-MQDFFIGUSA-N	291.347	1.875	10	20	CDCD	
Nc1ccc(CCNC(=O)C[C@H]2CCCC[C@H]2N)cc1	295218885	QTMMORRZUPKNAK-UKRRQHHQSA-N	275.396	1.835	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)CCNC1CC1	563411727	JQTXWKUHFZUDIE-UHFFFAOYSA-N	289.379	1.620	10	20	CDCD	
NC(=O)C[C@@H]1CCN(Cc2cc(Cl)cc(F)c2O)C1	809784951	MPDQQQPFMCPKHL-QMMMGPOBSA-N	286.734	1.882	10	20	CDCD	
COc1cccc(CNC(=O)Cc2ccc(F)cn2)c1O	806762463	GGLNCIIZSZEDLJ-UHFFFAOYSA-N	290.294	1.794	10	20	CDCD	
CCCCN1CC(=O)N[C@@H]1c1cc(O)c(O)c(OC)c1	298771005	DUAODGPGIQEFAX-AWEZNQCLSA-N	280.324	1.337	10	20	CDCD	
C[C@H](Cn1ccnc1)NC(=O)NCc1ccccc1O	299536811	UJGVEYXEOBTSSS-LLVKDONJSA-N	274.324	1.477	10	20	CDCD	
COCCOCCC(=O)NCc1ccccc1O	299596728	UWJWEGVUKMQNEO-UHFFFAOYSA-N	253.298	1.062	10	20	CDCD	
CCOC1CC(O)(CN[C@@H]2CCc3cccc(O)c32)C1	296601519	XSXRWIPIFHJVKT-MFOWVQHXSA-N	277.364	1.899	10	20	CDCD	
COc1cccc(CN2CCN([C@H]3CCOC3)CC2)c1O	827119554	NFOULAPZHNGIKT-AWEZNQCLSA-N	292.379	1.307	10	20	CDCD	
CCOC(=O)CC1(S(=O)(=O)Nc2ccc(O)cc2)CC1	821118931	HYBQDQJASKACNE-UHFFFAOYSA-N	299.348	1.620	10	20	CDCD	
CCN(CC)c1ccc(CN2CC(=O)N[C@@H](C)C2)cc1F	824908743	CPWXQTJFIBQMDD-LBPRGKRZSA-N	293.386	1.992	10	20	CDCD	
COc1ccc(CNC(=O)CC2COC2)c(O)c1	907927074	STOOQRIMQNKMMJ-UHFFFAOYSA-N	251.282	1.054	10	20	CDCD	
O=C(NC[C@H]1CN2CCC[C@@H]2CO1)c1cc(O)cs1	731878854	OHORBSRHMORCDO-KOLCDFICSA-N	282.365	1.047	10	20	CDCD	
Cc1cc(C)c(O)c(CN2CCO[C@H](C(=O)O)C2)c1	820968081	KJANJQQYAFBTDO-LBPRGKRZSA-N	265.309	1.294	10	20	CDCD	
CCCN[C@@H](C)C(=O)N[C@H](C)c1cc(OC)ccc1O	828666244	CHRRNDUBLKDVFQ-MNOVXSKESA-N	280.368	1.966	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@H]2[C@H]3C(=O)CC[C@H]32)cc1	905317043	FECQITKLVBWOON-BPLDGKMQSA-N	272.348	1.594	10	20	CDCD	
CN1CCC[C@H](CNC(=O)c2cc(O)cs2)C1	732290439	PQDHIXZRGLLQTN-SECBINFHSA-N	254.355	1.525	10	20	CDCD	
CN(C)c1ccc(CNCc2cnn(C)c2C(=O)O)cc1	904068882	GVRIYQXENSRVJJ-UHFFFAOYSA-N	288.351	1.474	10	20	CDCD	
CNC(=O)NC(=O)CN(CC1CC1)c1ccc(OC)cc1	831582926	LGNYQYRULKYDHX-UHFFFAOYSA-N	291.351	1.367	10	20	CDCD	
CC(C)[C@H](CN(C)C)NC(=O)c1cc(O)cs1	743586871	JOVWKMVTGQRUCQ-JTQLQIEISA-N	256.371	1.770	10	20	CDCD	
COC[C@H](C)NC(=S)NCCc1ccc(O)c(O)c1	916114551	UQDPJDSZVXMPTF-VIFPVBQESA-N	284.381	1.139	10	20	CDCD	
CC(C)C[C@H](C)NC(=O)C(=O)Nc1ccc(N)cc1	841075205	YBWJBWFPYPGUII-JTQLQIEISA-N	263.341	1.758	10	20	CDCD	
COc1ccc2c(c1)CCCN2Cc1nnnn1C1CC1	919673749	VQWUMOSBJZJWCX-UHFFFAOYSA-N	285.351	1.969	10	20	CDCD	
COc1ccc(N(C)CCN(C)Cc2cnn(C)c2)cc1	844399711	MUPZRUTWKTYVRG-UHFFFAOYSA-N	288.395	1.997	10	20	CDCD	
CC[C@@](C)(CC(=O)OC)NCc1cc2c(cc1O)OCO2	748243304	XNRSLCYQDINWHW-HNNXBMFYSA-N	295.335	1.942	10	20	CDCD	
COc1ccc(O)c(CNc2cnn(CCN(C)C)c2)c1	846070233	BTGQIFGABKOREX-UHFFFAOYSA-N	290.367	1.771	10	20	CDCD	
COc1cccc(CN[C@H](C(=O)O)c2ccnn2C)c1O	843040298	UESZOUBYNRAVET-LBPRGKRZSA-N	291.307	1.050	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CC[C@H]3NCC[C@H]3C2)c1O	843385992	GJGSTYYHBCFERE-XHDPSFHLSA-N	292.354	1.918	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)C(C)(C)C(=O)O)c1	843328744	MUPBERQMHMFZSK-MRVPVSSYSA-N	281.308	1.689	10	20	CDCD	
CCN1CCC[C@H](NC(=O)c2cc(O)cs2)C1=O	928870337	STNYMMRGDAIBCH-VIFPVBQESA-N	268.338	1.194	10	20	CDCD	
O=C1CN(C(=O)c2cc(O)cs2)CN1CC(F)(F)F	754474010	XUFRMUHWMNBTMF-UHFFFAOYSA-N	294.254	1.258	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(C)(C)O	756827864	ABGRCHYWGZQWLY-UHFFFAOYSA-N	250.342	1.448	10	20	CDCD	
CN(c1ccc(N)cc1)[C@H]1CCN(CC(F)(F)F)C1=O	863557119	JATRFQFQFLGZIQ-NSHDSACASA-N	287.285	1.868	10	20	CDCD	
C[C@@H](N[C@@H]1COC[C@@H]1O)c1ccc(N(C)C)cc1	866418888	XLONPFJBMSXHSQ-HONMWMINSA-N	250.342	1.163	10	20	CDCD	
CCOC(=O)[C@@H](C)NCc1cc(OCC)ccc1O	763277419	MRMJNLHDXMRRPO-SNVBAGLBSA-N	267.325	1.832	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H](C)NC(=O)CC	935946674	LMCRLULAPKTNNF-JTQLQIEISA-N	299.367	1.409	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)Cn2nccc2C)c1	860241909	MZUWCHSKSQGLGH-NSHDSACASA-N	289.335	1.783	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)c1cnn2ncccc12	765422849	IQJBCWSUOFMKJP-UHFFFAOYSA-N	284.275	1.071	10	20	CDCD	
C[C@H](NCc1nnc2n1CCOC2)c1ccccc1O	1116761896	TTZYRGVIURRIID-JTQLQIEISA-N	274.324	1.365	10	20	CDCD	
Cc1ncc([N+](=O)[O-])n1CCN(C)Cc1ccccc1O	878242802	VZHRZRUXCODZQE-UHFFFAOYSA-N	290.323	1.937	10	20	CDCD	
OC1CCN(Cc2ccc(N3CCC(O)CC3)cc2)CC1	876540126	GOWYWIUEFBOMSZ-UHFFFAOYSA-N	290.407	1.604	10	20	CDCD	
Cc1cc(CN2C[C@@H](O)C[C@@]2(C)CO)ccc1N(C)C	878982273	YPTJDKUVAWXTSM-HOCLYGCPSA-N	278.396	1.379	10	20	CDCD	
C[C@@H](NC(=O)N(C)[C@H](C)CO)c1ccc(N(C)C)cc1	776240880	XLWDQQFMIQQQBF-VXGBXAGGSA-N	279.384	1.836	10	20	CDCD	
CCOC(=O)C1(CNC(=O)c2ccc(C)c(O)c2O)CC1	771601525	KLAKAYPYQPCIRU-UHFFFAOYSA-N	293.319	1.479	10	20	CDCD	
CN1CCC2(CCN(C(=O)c3cc(O)cs3)CC2)C1=O	774880257	VQILMZYPCRBXCO-UHFFFAOYSA-N	294.376	1.538	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNCc2cc(C)[nH]n2)c1O	775023941	OIGPSERDJVBDBW-UHFFFAOYSA-N	292.295	1.630	10	20	CDCD	
C[C@H]1CCN(Cc2cc(F)cc(F)c2O)[C@H](C(N)=O)C1	894500432	NZTXTKRVQXLQKR-UFBFGSQYSA-N	284.306	1.756	10	20	CDCD	
COC(=O)N1CC(C)(NCc2ccc3c(c2)CCCO3)C1	893971374	DPECSXFGVDKINS-UHFFFAOYSA-N	290.363	1.942	10	20	CDCD	
COc1cccc(O)c1CN1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O	787424207	POVVDFWCYQWMTK-ZIBATOQPSA-N	290.363	1.487	10	20	CDCD	
CN1CCN(c2ccc(CNc3ncccn3)cc2)CC1	783625069	LELLFOLLZQZUFI-UHFFFAOYSA-N	283.379	1.841	10	20	CDCD	
COc1cc(C)cc(CN(C)CCN2CCOCC2)c1O	893995242	IMZIFSCNEAZHJJ-UHFFFAOYSA-N	294.395	1.473	10	20	CDCD	
COCCOC1CN(Cc2ccc(OC)c(OC)c2O)C1	893314752	VJBSGGZIBWPSMI-UHFFFAOYSA-N	297.351	1.257	10	20	CDCD	
COCCN(CC(=O)OC)Cc1cc(C)cc(OC)c1O	894027023	OWLBTWVKTCQOKH-UHFFFAOYSA-N	297.351	1.331	10	20	CDCD	
COCCO[C@H]1CCN(Cc2cc(F)cc(F)c2O)C1	894529976	BHCYEOKUXHVFGT-LBPRGKRZSA-N	287.306	1.908	10	20	CDCD	
COC[C@H](CO)NC(=O)N[C@H](C)c1ccc(N(C)C)cc1	793063305	YMCUTYHPQMCXNM-YPMHNXCESA-N	295.383	1.120	10	20	CDCD	
O=C(NCc1ccc2c(c1)CCO2)c1cccc(O)c1O	790626010	QYLISXOOKHLMBG-UHFFFAOYSA-N	285.299	1.963	10	20	CDCD	
Cc1ccc(C(=O)OCC(=O)C2(C)CC2)c(O)c1O	795485316	SSQNIJIDSPLGRI-UHFFFAOYSA-N	264.277	1.932	10	20	CDCD	
COc1ccc(N(C)C[C@H]2CN(C)C(=O)O2)cc1	1349499102	IXVWYFIHUHFQAL-LBPRGKRZSA-N	250.298	1.582	10	20	CDCD	
Nc1ccc(CNC2(CO)CCSCC2)cc1	1336286235	PSTCYLBTDJPXCR-UHFFFAOYSA-N	252.383	1.617	10	20	CDCD	
Cc1cc(C(=O)NC2(C(=O)O)CC2)c(C)n1-c1ccccn1	1332614351	XPCHUEJUEAEYCO-UHFFFAOYSA-N	299.330	1.836	10	20	CDCD	
CN(C)c1cc(F)c(CNCCN2CCC2)cc1F	1261787905	FFOGWEZJJFZWEO-UHFFFAOYSA-N	269.339	1.826	10	20	CDCD	
COc1cncc(S(=O)(=O)NCc2ccccc2O)c1	798439231	JWNIKKNHXWXXFV-UHFFFAOYSA-N	294.332	1.274	10	20	CDCD	
CCOc1ccc(O)c(CN2CC(C)(C(=O)O)C2)c1	1605696758	QXBLBFLQABMARQ-UHFFFAOYSA-N	265.309	1.697	10	20	CDCD	
O=C(O)[C@@]12COC[C@@H]1CN(Cc1cccc(F)c1O)C2	1606432983	SWIRDHKHVVNJPH-HZMBPMFUSA-N	281.283	1.064	10	20	CDCD	
O=C(O)c1cnc(SC[C@H](O)CC2(O)CCC2)s1	1602536605	BURDAFZPBHMAOB-SSDOTTSWSA-N	289.378	1.599	10	20	CDCD	
C[C@@H](CC(=O)O)N[C@H](C)c1cc([N+](=O)[O-])ccc1O	1609888675	PKRLMLJQUKNTIC-JGVFFNPUSA-N	268.269	1.814	10	20	CDCD	
COCCO[C@H]1CCN(Cc2ccc(N)cc2)C1	1120268471	FUSMPCCBUUBOJC-AWEZNQCLSA-N	250.342	1.506	10	20	CDCD	
CC[C@@H](C(=O)O)N(C)C(=O)/C=C/c1ccc(O)c(O)c1	1589433243	CRUSRSAPEMAEAB-STUBTGCMSA-N	279.292	1.433	10	20	CDCD	
CN(C)c1ccc(/C=C/CN[C@H]2CCO[C@H]2C(=O)O)cc1	1598314156	DTRCRKRTXGQQEG-NMONBKHDSA-N	290.363	1.598	10	20	CDCD	
CC[C@H](CCNCc1cc([N+](=O)[O-])ccc1O)C(=O)O	1776711845	UKNBIYVQNJXPHY-SECBINFHSA-N	282.296	1.891	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H](C)N	37807423	PHAGDZYOHURAOQ-GFCCVEGCSA-N	263.385	1.838	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CC[C@H]([C@@H](C)O)C2)c1O	167856651	RBOJPAFBIXXIQW-KOLCDFICSA-N	281.327	1.937	10	20	CDCD	
CC(C)NC(=O)[C@@H](C)N[C@@H]1CCc2cccc(O)c21	381947878	ANNGUHRDPUEGJA-ZYHUDNBSSA-N	262.353	1.882	10	20	CDCD	
Oc1cccc(Cl)c1CNCC1OCCCO1	716340848	IMINGTPHTZGCNN-UHFFFAOYSA-N	257.717	1.898	10	20	CDCD	
COc1cccc(CNC(=O)c2ccc(O)nc2)c1O	105652704	CVHJLLLURHQGQJ-UHFFFAOYSA-N	274.276	1.431	10	20	CDCD	
CCN1C(=O)/C(=C/c2ccnn2C)SC1=S	20608706	LYYHWCBVZWVWDR-VURMDHGXSA-N	253.352	1.641	10	20	CDCD	
COc1ccc(N(C)CCCS(N)(=O)=O)cc1Cl	177072582	WKPUJUXUZLQYRH-UHFFFAOYSA-N	292.788	1.463	10	20	CDCD	
Cc1ccc([C@@H](C)NC[C@@]2(O)CCOC2)c(O)c1	186178319	ZHKCYZROLNUMLE-RISCZKNCSA-N	251.326	1.503	10	20	CDCD	
O=C1NCCCC[C@H]1NCc1cc(Cl)ccc1O	36977317	SARAVZZLRAVEEK-LLVKDONJSA-N	268.744	1.804	10	20	CDCD	
COc1cccc(CN2CC[C@@H](C)S(=O)(=O)CC2)c1O	192049137	GRVOOXULINGYAG-LLVKDONJSA-N	299.392	1.410	10	20	CDCD	
COc1cc(Cl)cc(CNCCOCCO)c1O	228669338	YSAQEIJMAUZZLZ-UHFFFAOYSA-N	275.732	1.153	10	20	CDCD	
COc1cccc(CN[C@@H]2C(=O)NCC[C@H]2C)c1O	193682033	REFZCPCITHNIOL-SKDRFNHKSA-N	264.325	1.015	10	20	CDCD	
CCN(CC)c1ccc(CN2C[C@H](O)C[C@H]2CO)cc1	370400753	RFKKDQCGENEPHY-JKSUJKDBSA-N	278.396	1.460	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)NCC1([S@](C)=O)CC1	281945448	LPPCLPOUCFROLQ-FQEVSTJZSA-N	296.392	1.445	10	20	CDCD	
COc1cccc(CNC(=O)OC[C@@H]2CCCO2)c1O	288136806	MWVGURICWOTAMR-NSHDSACASA-N	281.308	1.806	10	20	CDCD	
CCOc1cccc(CN(CCOC)CCN(C)C)c1O	289179819	AIIHUDPQMFQCTG-UHFFFAOYSA-N	296.411	1.801	10	20	CDCD	
C[C@H](O)CN1CCN(Cc2cc(F)ccc2O)[C@@H](C)C1	284278513	HKNBGAHIQMJJRL-RYUDHWBXSA-N	282.359	1.418	10	20	CDCD	
Cn1cc2c(n1)CCC[C@@H]2NC(=O)c1cc(O)cs1	802662381	UBOWIKXZOSAJSU-JTQLQIEISA-N	277.349	1.995	10	20	CDCD	
CCOc1ccc(CN(CC)CCOCCO)c(O)c1	800532310	UJRKNNQXJWEWSU-UHFFFAOYSA-N	283.368	1.622	10	20	CDCD	
C[C@H](NCc1ccc(N2CCOCC2)cc1)[C@H]1CCCN1	817895839	WVIWSHHLLDLPOF-WMLDXEAASA-N	289.423	1.753	10	20	CDCD	
C[C@@H](N[C@@H]1CC[C@H]1O)c1ccc(N2CCOCC2)c(F)c1	818358046	QCNMPLVBYFVEIH-DJSGYFEHSA-N	294.370	1.836	10	20	CDCD	
CN(C)c1ccc(CN2C[C@@H](N)[C@H](c3cnn(C)c3)C2)cc1	818431362	JVKRIVWQBQNGFF-DLBZAZTESA-N	299.422	1.413	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@@H]2CC2(F)F)c1	825840785	WVQFYJBXFCWBND-VIFPVBQESA-N	257.236	1.672	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCC[C@@H](n2ccnn2)C1	822426474	KLWUWSXEBDONOB-SECBINFHSA-N	278.337	1.523	10	20	CDCD	
CC(C)CNC(=O)CN(C)c1ccc(OCC(=O)O)cc1	833489150	WSFFWNHTEJOSLO-UHFFFAOYSA-N	294.351	1.358	10	20	CDCD	
CCC[C@H](OC)C(=O)NCc1ccc(OC)cc1O	831032938	MRBLPMIQPBHWJX-ZDUSSCGKSA-N	267.325	1.832	10	20	CDCD	
Cc1ccc(C(=O)N2CCO[C@H]2C(F)(F)F)c(O)c1O	912088586	QGGJRUSROJFUEF-NSHDSACASA-N	291.225	1.767	10	20	CDCD	
CC[C@@](C)(OC)C(=O)NCc1ccc(O)cc1O	910946540	PLCVYBWBDVQSSZ-CYBMUJFWSA-N	253.298	1.529	10	20	CDCD	
COc1cccc(O)c1CN1CCC(OCCCN)CC1	843055950	AVETYXRVPIVJQL-UHFFFAOYSA-N	294.395	1.731	10	20	CDCD	
Nc1ccc(CCNC(=O)N2CCOCC(F)(F)C2)cc1	841956461	FIIQCIQYWWKHTF-UHFFFAOYSA-N	299.321	1.488	10	20	CDCD	
COc1ccc(CNC(=O)C(C)(C)CCC(=O)O)c(O)c1	911719392	TXSUFAQZKIIHTO-UHFFFAOYSA-N	295.335	1.908	10	20	CDCD	
O=C(NC[C@H]1CCC[C@H](O)C1)c1cc(O)cs1	748319638	FLSUFCQWBZZVFW-IUCAKERBSA-N	255.339	1.735	10	20	CDCD	
COC[C@@H](CNCc1ccc(N(C)C)cc1C)OC	840937195	PNSZTGPNBSNVSF-OAHLLOKOSA-N	266.385	1.812	10	20	CDCD	
CCOc1ccc(CNC[C@@H]2CNCCCO2)c(O)c1	841085498	FCCFKLAKWGRGSU-AWEZNQCLSA-N	280.368	1.259	10	20	CDCD	
COc1cccc(CN[C@@H]2CCN[C@@H](C)C2)c1O	841062434	WRYRXSNPXUPRJQ-CMPLNLGQSA-N	250.342	1.631	10	20	CDCD	
CC(C)(CO)[C@H](NC(=O)c1cccc(O)c1O)C1CC1	848247598	OOEHROQSMQSNCF-CYBMUJFWSA-N	279.336	1.625	10	20	CDCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@H](O)C1CC1	854949921	ZNIQUNHNUIDQJY-BLLLJJGKSA-N	290.407	1.879	10	20	CDCD	
Oc1cccc2c1[C@@H](NCCN1CC[C@H](O)C1)CC2	858601054	AWPPLYQJYSUFIW-STQMWFEESA-N	262.353	1.036	10	20	CDCD	
C[C@@H](NC(=O)NCC[S@@](C)=O)c1ccccc1O	868265470	IFSPEUGMYRRPKR-DYBLOJMWSA-N	270.354	1.131	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)c1cccc2nccn12	762275574	VWGUGTSPJXFRAF-UHFFFAOYSA-N	297.314	1.718	10	20	CDCD	
CCC[C@](C)(O)C(=O)NCc1cc(C)ccc1O	862758418	YJMIZLQUDGIQCF-AWEZNQCLSA-N	251.326	1.868	10	20	CDCD	
CCOc1ccc(CN(CCOC)CC(=O)OC)c(O)c1	769421991	DODPKSZVDBNYSL-UHFFFAOYSA-N	297.351	1.412	10	20	CDCD	
Cc1ccc(CN(C)[C@@H](C)[C@H](C)S(C)(=O)=O)c(O)c1	876739343	OWBNBNPPAVWTLB-RYUDHWBXSA-N	285.409	1.954	10	20	CDCD	
CCC[C@H](NC(=O)c1cccc(O)c1O)C(=O)OC	776679035	KEGHZGLEMYPYJZ-VIFPVBQESA-N	267.281	1.169	10	20	CDCD	
COCC[C@]1(NCc2ccc3c(c2)CCO3)CCOC1	775032418	IARPIZDHHOPVIB-INIZCTEOSA-N	277.364	1.907	10	20	CDCD	
Cc1ccc(CN2CC(c3nc(C)no3)C2)c(O)c1	877580334	RCPMEXRXGAUEQT-UHFFFAOYSA-N	259.309	1.991	10	20	CDCD	
COCC1(NCc2ccc(N3CCC(O)CC3)cc2)CC1	877110068	LXOSIISBPWPHGM-UHFFFAOYSA-N	290.407	1.916	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccncn1	779068711	BFTSCKGJIKOLMC-VIFPVBQESA-N	273.292	1.249	10	20	CDCD	
CCOc1ccc(CN2C[C@H](C)O[C@@H](CO)C2)c(O)c1	787418505	WRTLIJABINALSZ-SMDDNHRTSA-N	281.352	1.373	10	20	CDCD	
CCO[C@H]1COCC[C@@H]1NCc1cc(F)cc(F)c1O	883087941	NGYSWNIBTCFEFI-STQMWFEESA-N	287.306	1.954	10	20	CDCD	
COC[C@H]1CCCN1C(=O)c1ccc(C)c(O)c1O	780957974	BSPHORLMFJXWAB-SNVBAGLBSA-N	265.309	1.657	10	20	CDCD	
COc1cc(C)cc(CN2CC[C@@](F)(CO)C2)c1O	894686912	YEAUCPYSBBIKRM-AWEZNQCLSA-N	269.316	1.616	10	20	CDCD	
COc1ccc(CN(C)[C@H]2CCN(C)C2=O)c(O)c1OC	892080765	OSVZDLYHIWLWDV-NSHDSACASA-N	294.351	1.072	10	20	CDCD	
O=C(NCc1ccccc1O)c1cc([N+](=O)[O-])c[nH]1	133745505	PYXKIQPABSELCT-UHFFFAOYSA-N	261.237	1.559	10	20	CDCD	
O=C(NC[C@@H](CO)Cc1ccco1)c1cccc(O)c1O	790528327	RJVJUXVPOUPOMM-JTQLQIEISA-N	291.303	1.272	10	20	CDCD	
[N-]=[N+]=NCc1ccc(C(=O)N2CCNC(=O)C2)s1	1537962745	BJHDADPQGJLHKC-UHFFFAOYSA-N	265.298	1.130	10	20	CDCD	
Nc1ccc(NC(=O)[C@H]2CC(=O)N(C3CC3)C2)cc1	701427363	NNELBQJQCLLDDG-VIFPVBQESA-N	259.309	1.218	10	20	CDCD	
Cc1ccc(O)c([C@@H](C)NC[C@H](O)CN(C)C)c1	717354926	RNCIQEAZWWPKFZ-NEPJUHHUSA-N	252.358	1.274	10	20	CDCD	
OC[C@H](CC(F)(F)F)NCc1cc(F)ccc1O	717696524	LKMFGZMWJYBUSA-VIFPVBQESA-N	267.222	1.934	10	20	CDCD	
O=C(NCc1cccc(O)c1O)[C@H]1CC1(Cl)Cl	1347233338	IQXMJDSCUTVRRJ-SSDOTTSWSA-N	276.119	1.908	10	20	CDCD	
O=C(NCc1cccc(O)c1O)[C@H]1CCSC1	1347234460	OCYCOLPZWBKDBK-VIFPVBQESA-N	253.323	1.467	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)NCCCCN	1261377578	XIVSHARRZYWTIC-UHFFFAOYSA-N	278.400	1.633	10	20	CDCD	
CN(CC(=O)NCc1cccc(O)c1O)[C@@H]1CCSC1	1347233085	FJBFQPFLLGACFG-LLVKDONJSA-N	296.392	1.151	10	20	CDCD	
C[C@@H](CNCc1cc2c(cc1O)OCO2)N(C)C1CC1	105488052	SFXJSOLNPDBJEG-JTQLQIEISA-N	278.352	1.693	10	20	CDCD	
O=C(NCc1cccc(Cl)c1O)[C@H]1CCCN1	1580718093	AUIWSEFPOSCATO-SNVBAGLBSA-N	254.717	1.414	10	20	CDCD	
C[C@H](NCCC(=O)NCCC(=O)O)c1ccccc1O	1593259929	CATIDDHERYQNIR-JTQLQIEISA-N	280.324	1.024	10	20	CDCD	
COC(=O)CC[C@@H](Sc1nccs1)C(=O)O	1598849340	OSSMFSQTVOZXOV-ZCFIWIBFSA-N	261.324	1.642	10	20	CDCD	
COc1ccc(O)c(CN[C@@H](C)C[S@](C)=O)c1	168413411	ZIKOZSZVSGDNLJ-HUTHGQBESA-N	257.355	1.257	10	20	CDCD	
CN(C)c1ccc(CN2CCN(c3cnccn3)CC2)cc1	157873457	RSMBINPYUQOOKY-UHFFFAOYSA-N	297.406	1.865	10	20	CDCD	
CC[C@@H](CO)NC(=O)NCCCSc1nccs1	154651766	UHAGBDISESODAS-VIFPVBQESA-N	289.426	1.695	10	20	CDCD	
COC(=O)[C@@H](C)CSc1ncc([N+](=O)[O-])s1	226766278	BKONXPUNWCHDSM-YFKPBYRVSA-N	262.312	1.953	10	20	CDCD	
CC[C@@]1(C(=O)NCc2ccc(N(C)C)cc2)CCNC1	62899682	PTJAUJVOUXZPLX-MRXNPFEDSA-N	275.396	1.759	10	20	CDCD	
C[C@H](CNC(=O)c1cccc(O)c1O)N(C)C1CC1	188388421	GIMRKYOEJMZKKU-SECBINFHSA-N	264.325	1.310	10	20	CDCD	
COc1ccc(CN[C@H]2CCN(C)[C@@H](C)C2)c(O)c1	90721819	CXMFOMKAMQTACE-AAEUAGOBSA-N	264.369	1.973	10	20	CDCD	
COc1cccc(CN[C@H]2CCCN(C)C2=O)c1O	704348257	BGTCATXRKNFKPU-NSHDSACASA-N	264.325	1.111	10	20	CDCD	
Cc1ncc(/C=C/C(=O)N(C)c2cnn(C)c2)s1	173180452	XUVRHGSHBNLJCQ-SNAWJCMRSA-N	262.338	1.861	10	20	CDCD	
COCC[C@@](C)(O)CNCc1cc(C)ccc1O	172069949	NVIDYJIHROCKAT-CQSZACIVSA-N	253.342	1.578	10	20	CDCD	
CS[C@H](C)CC(=O)NCc1ccc(O)c(O)c1	182510555	ABOQABJGEDJZGH-MRVPVSSYSA-N	255.339	1.856	10	20	CDCD	
CC[C@H](NC[C@H]1COCCO1)c1ccccc1O	38060224	VOUZJJOSIHZPBA-AAEUAGOBSA-N	251.326	1.848	10	20	CDCD	
CCCOc1ccc(CN(C)CC(=O)NC2CC2)c(O)c1	120359349	XNHHGQBVFPKKDR-UHFFFAOYSA-N	292.379	1.891	10	20	CDCD	
COc1ccc(N2CCN(C(=O)c3cn[nH]c3)CC2)cc1	35732450	LOZYYECYEVTMLZ-UHFFFAOYSA-N	286.335	1.381	10	20	CDCD	
O[C@H](CNCc1ccc(N2CCOCC2)cc1)C1CCC1	316737794	KIYAVPNOJVSGEM-QGZVFWFLSA-N	290.407	1.774	10	20	CDCD	
CC[C@H](C)OCC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	185389876	VWYDIXFGJFOGAK-QWRGUYRKSA-N	281.352	1.960	10	20	CDCD	
Oc1ccccc1CN(CC1OCCO1)C[C@@H]1CCCO1	182650990	MDNKJYHSIXNSIB-AWEZNQCLSA-N	293.363	1.746	10	20	CDCD	
Cc1cccc(CN[C@@H](C)C(=O)NC(C)C)c1O	228930498	KRPPZWDGRYQSGC-NSHDSACASA-N	250.342	1.703	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)CN(C)C(=O)OC	264126649	SCIYCUREEQOOTM-UHFFFAOYSA-N	294.351	1.829	10	20	CDCD	
CN(C)c1ccc(CN2C(=O)CN(C3CC3)C2=O)cc1F	272330533	CORLCIKNRHAKFO-UHFFFAOYSA-N	291.326	1.818	10	20	CDCD	
C[C@@H](NCCCN(C)C)c1cc([N+](=O)[O-])ccc1O	273442920	ZCAZDJLEMHYYOY-SNVBAGLBSA-N	267.329	1.903	10	20	CDCD	
CN1CC[C@H]2CCN(Cc3cc4c(cc3O)OCO4)[C@@H]2C1	272253998	MBZOTFRTAGPLJN-WCQYABFASA-N	290.363	1.647	10	20	CDCD	
C[C@@H](CO)CCCNC(=O)NCc1ccccc1O	270415349	YOPZTHPMLDEBKL-LLVKDONJSA-N	266.341	1.600	10	20	CDCD	
COCCN1CN(Cc2c(O)cccc2Cl)CC1=O	282832493	BXEDVNKLIVPNFM-UHFFFAOYSA-N	284.743	1.294	10	20	CDCD	
CC[C@H](NC[C@@H](O)COC)c1ccc(C)cc1O	280245561	WGKSXEGTNDHLDC-YPMHNXCESA-N	253.342	1.749	10	20	CDCD	
C[C@H](CN[C@H]1CCc2cccc(O)c21)CN1CCOCC1	297540416	FBCUDQCWBSYTNT-HIFRSBDPSA-N	290.407	1.937	10	20	CDCD	
Cn1cnc(/C=C2\SC(N3CCCCC3)=NC2=O)c1	800792951	ITTOAXSSMOGSPA-XFFZJAGNSA-N	276.365	1.876	10	20	CDCD	
CN(C)c1ccc(CNC(=O)Nc2cnnn2C)cc1	809899381	KMTVWHVNSZDQLI-UHFFFAOYSA-N	274.328	1.203	10	20	CDCD	
CC(=O)C(=O)COC(=O)c1c(-c2ccccc2)noc1C	808484307	ODTMTJCFLDNWSG-UHFFFAOYSA-N	287.271	1.965	10	20	CDCD	
C[C@@H](C(=O)NCCc1ccc(O)c(O)c1)n1cccn1	269140972	FTULCIYKHCAEBA-JTQLQIEISA-N	275.308	1.214	10	20	CDCD	
COc1ccc(O)c([C@@H](C)N[C@@H]2COCC[C@H]2O)c1	710951729	PLEAKPZPTQTLGO-GAJTVXKRSA-N	267.325	1.201	10	20	CDCD	
CN(C)c1ccc([C@H](N)CNC2C[C@@H]3CC[C@H](C2)N3)cc1	817940421	GYAUXPVFWLRDFX-KJFZJZGVSA-N	288.439	1.625	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)C[C@@H]1CCC(=O)N1	816889379	WFHIEDCEYOWCRT-NSHDSACASA-N	262.309	1.019	10	20	CDCD	
C[C@@H](NCC[C@@H]1CCNC1)c1cc([N+](=O)[O-])ccc1O	817955221	SVFLWUDVEUJKET-MNOVXSKESA-N	279.340	1.951	10	20	CDCD	
CN(C)c1ncc(CN(C)c2ccc3c(c2)OCO3)n1C	822469604	ARUVJSRMJBTIDW-UHFFFAOYSA-N	288.351	1.851	10	20	CDCD	
C[C@@H](N)CC(=O)NCCCSc1nccs1	829527822	GTLMUGSGLKTUSK-MRVPVSSYSA-N	259.400	1.479	10	20	CDCD	
CCOC(=O)CN(CCCO)Cc1ccccc1O	823581742	ORNRCRPMMJEUGC-UHFFFAOYSA-N	267.325	1.140	10	20	CDCD	
CO[C@@H](CNC(=O)c1c(F)ccc(O)c1O)C(F)(F)F	825826847	JOWOUBLFLXIWCW-ZETCQYMHSA-N	297.204	1.544	10	20	CDCD	
COCC(COC)N[C@H](C)c1cc(C(=O)OC)ccc1O	834887913	ADBKWCLTMWSAEF-SNVBAGLBSA-N	297.351	1.491	10	20	CDCD	
C[C@@H](Cc1cnn(C)c1)NC(=O)c1c(F)ccc(O)c1O	839787085	UXNKWCYEHRONFK-QMMMGPOBSA-N	293.298	1.331	10	20	CDCD	
CCO[C@@H]1COC[C@H]1N[C@@H](C)c1ccccc1O	834902511	BWMXWULGXGXYQZ-ZKYQVNSYSA-N	251.326	1.847	10	20	CDCD	
CCOC(=O)[C@H](CC)C(=O)NCc1ccc(O)cc1O	910945742	XFKTUBNDKIIKEB-LLVKDONJSA-N	281.308	1.303	10	20	CDCD	
CC[C@H](C(=O)O)C(=O)N(C)Cc1ccc(N(C)C)cc1	911118903	RFXFDTIYDXJQGX-ZDUSSCGKSA-N	278.352	1.822	10	20	CDCD	
COc1cccc([C@@H](C)NC[C@@H](O)C2CCOCC2)c1O	846152579	ANTPQIWVJRDVRA-BXUZGUMPSA-N	295.379	1.839	10	20	CDCD	
COc1cccc([C@@H](C)NCCCN2CCOCC2)c1O	846138931	XXTFHLQSTKJDKJ-CYBMUJFWSA-N	294.395	1.774	10	20	CDCD	
CNCCCNCc1ccc(N2CCOCC2)cc1	841041397	DVBDDOSYJHDQOO-UHFFFAOYSA-N	263.385	1.222	10	20	CDCD	
COCCCN(C)CCNC(=O)Nc1ccc(N)cc1	841299882	LFQYGRPVEMITKH-UHFFFAOYSA-N	280.372	1.359	10	20	CDCD	
CCN(CC)c1ccc(CN(CCN)CCO)cc1F	841059342	QBBGSPYMFTXNQL-UHFFFAOYSA-N	283.391	1.425	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@H]2C[C@@H](N)C2)cc1F	844178152	ZSBSDCNHLDFMOY-PHIMTYICSA-N	265.332	1.245	10	20	CDCD	
O=C(OCCOC[C@H]1CCCO1)c1cc(O)cs1	741317740	KAESTQCNRKXCRZ-SNVBAGLBSA-N	272.322	1.806	10	20	CDCD	
Cn1cc(/C=C/C(=O)N2CCCn3nccc32)cn1	748516102	GKRSMNNSQHOBPV-ONEGZZNKSA-N	257.297	1.067	10	20	CDCD	
C[C@@H](NC(=O)NCCCC(=O)O)c1ccc(N(C)C)cc1	840988894	QLQGVIPNNRCVES-LLVKDONJSA-N	293.367	1.978	10	20	CDCD	
Nc1ccc(NC(=O)C(=O)NC[C@H]2C[C@H]3CC[C@H]2C3)cc1	841027790	WTKIPUDSBVFDJE-SDDRHHMPSA-N	287.363	1.760	10	20	CDCD	
COc1cccc(COC(=O)c2cccc(O)c2O)n1	758560710	JSZLWZUIICLKSP-UHFFFAOYSA-N	275.260	1.858	10	20	CDCD	
CC[C@H](CO)N1CCN(c2ccc(OC)cc2)CC1	929153196	SNZUYXPBLVQFGN-CYBMUJFWSA-N	264.369	1.588	10	20	CDCD	
O=C1C[C@@H](C(=O)NCc2cc(Cl)cc(Cl)c2O)N1	854473765	CYZGPHMATJIHOS-QMMMGPOBSA-N	289.118	1.204	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CN2CC[C@H]3C[C@@H]3C2)cc1	852634589	IDTAUOPMFHHOOZ-LSDHHAIUSA-N	287.407	1.711	10	20	CDCD	
C[C@@H](NC(=O)NC1CCN(C)CC1)c1ccccc1O	868350515	JYPKZWWSOJFFNL-LLVKDONJSA-N	277.368	1.847	10	20	CDCD	
Cc1ccc(CN(C)[C@@H]2CCS(=O)(=O)C2)c(O)c1	876524238	NJROZEBRGDNYRZ-GFCCVEGCSA-N	269.366	1.320	10	20	CDCD	
OCCN1CCN(Cc2cc(Cl)cc(F)c2O)CC1	775634694	USYRLUKXYGQHTI-UHFFFAOYSA-N	288.750	1.295	10	20	CDCD	
NC(=O)C1CCN(Cc2cc(Cl)cc(F)c2O)CC1	775638171	BUZARZQAPXSTNN-UHFFFAOYSA-N	286.734	1.882	10	20	CDCD	
Cc1ccc(CN2CCS(=O)(=O)CC[C@H]2C)c(O)c1	877477406	CXSIWZNHDXXGMI-GFCCVEGCSA-N	283.393	1.710	10	20	CDCD	
Cc1ccc(C(=O)N2CCC[C@H]2CCO)c(O)c1O	779285835	HGQJTTNHUUZOFJ-JTQLQIEISA-N	265.309	1.393	10	20	CDCD	
CN(C)c1ccc(Cn2cc(CSCCN)nn2)cc1	881272301	RWJBZQJSWJFOGI-UHFFFAOYSA-N	291.424	1.584	10	20	CDCD	
COc1ccc(CNCCNC(=O)[C@@H](C)OC)cc1C	1124293282	QTFIZBGLNZTERI-GFCCVEGCSA-N	280.368	1.244	10	20	CDCD	
CC1(C)C[C@@H](C(=O)NCc2ccc(O)c(O)c2)CCO1	1120622721	UMYWKMFVMQOLBW-NSHDSACASA-N	279.336	1.919	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@H]2C[C@H]2F)cc1F	1120960504	DYABWKPKFAGQPO-NXEZZACHSA-N	254.280	1.866	10	20	CDCD	
CCNCc1cn(Cc2cc(F)cc(C(C)=O)c2O)nn1	880996192	PTFOIBMJKNTVJG-UHFFFAOYSA-N	292.314	1.483	10	20	CDCD	
C[C@H](CCO)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	898448828	YCVCJNLAZFAXGC-CZUORRHYSA-N	279.428	1.716	10	20	CDCD	
O=C1CSc2ncnc(NCc3ccccc3O)c2N1	784140809	UYYBAMJTMBIUSX-UHFFFAOYSA-N	288.332	1.839	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NCCN2CC[C@H](C)C2)c1	897466390	SYYVFKPAONPXOJ-ZDUSSCGKSA-N	291.395	1.842	10	20	CDCD	
COc1ccc(CN[C@@H]2C=C[C@H](CO)C2)c(O)c1OC	893368076	SARRVTUNXJTLMC-CMPLNLGQSA-N	279.336	1.436	10	20	CDCD	
COc1cc(C)cc(CN[C@@H](C)C(C)(C)O)c1O	898119375	PMABKUVYJDUEHH-JTQLQIEISA-N	253.342	1.958	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NCCc2cnn(C)c2)c1	1328764408	NTGAQDZRJUCFKS-UHFFFAOYSA-N	288.351	1.476	10	20	CDCD	
CNC(=O)CCCNCc1cc(F)cc(F)c1O	708481359	CRFSMUKRUPESNK-UHFFFAOYSA-N	258.268	1.286	10	20	CDCD	
C[C@@H](CO[C@H]1CCOC1)NC(=O)NCc1ccc(N)cc1	1335528153	BOHNFAPPSBOZTK-FZMZJTMJSA-N	293.367	1.262	10	20	CDCD	
Nc1ccc(CNC(=O)NC[C@@H]2CCCCN2)cc1	1335666634	SHNGQAFQPXGJPC-ZDUSSCGKSA-N	262.357	1.210	10	20	CDCD	
C[C@@H](NCc1ncn(C)n1)c1ccc(N(C)C)cc1	90969765	MKHYGWNAFVDPAH-LLVKDONJSA-N	259.357	1.732	10	20	CDCD	
C[C@@H]1CN(C(=O)NCc2ccc(N)cc2)CC[C@H]1O	1335727083	YLUHVWJSFPIFFL-ZWNOBZJWSA-N	263.341	1.181	10	20	CDCD	
CC(C)(O)[C@@H]1CCCN1C(=O)NCc1ccc(N)cc1	1353539165	IZJTZEAUMRGQDC-ZDUSSCGKSA-N	277.368	1.714	10	20	CDCD	
Nc1ccc(CNC(=O)[C@@H]2C[C@H]3CC[C@H]2NC3)cc1	1515330756	AHWIIOYMGRWWPO-MRVWCRGKSA-N	259.353	1.273	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)CCSCC(=O)O)c1	1600464443	BXWKICPTAVHECA-UHFFFAOYSA-N	283.349	1.525	10	20	CDCD	
Cc1cc(CN[C@]2(CC(=O)O)CCOC2)ccc1N(C)C	1607647909	KPICDVVWMHCZEM-INIZCTEOSA-N	292.379	1.784	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N[C@H]1CCC[C@H]1C(=O)O	1594675277	SFVWZBIQWPFMBW-HQVCXTMKSA-N	291.303	1.481	10	20	CDCD	
CN(C)c1ccc(CN2CCC[C@H](O)[C@@H]2C(=O)O)cc1F	1598317159	ABAPUUFBJSUVPX-UONOGXRCSA-N	296.342	1.302	10	20	CDCD	
C[C@H](NCC(C)(C)O)c1cc(C(=O)O)ccc1O	1593240894	TUKYINAOTBINST-QMMMGPOBSA-N	253.298	1.512	10	20	CDCD	
CCOC[C@@H](NCc1ccc2c(c1)CCO2)C(=O)O	1776906710	IFTFATQMHKMDMV-GFCCVEGCSA-N	265.309	1.201	10	20	CDCD	
CCC[C@@](C)(O)CNC(=O)c1cccc(O)c1O	229388912	YFEZZJOVHDLWOZ-CYBMUJFWSA-N	253.298	1.379	10	20	CDCD	
CN(C)C[C@@H]1CCN(Cc2cc3c(cc2O)OCO3)C1	172507308	PNFLGFVMYKRWJT-NSHDSACASA-N	278.352	1.504	10	20	CDCD	
C[C@H](NC[C@@]1(O)CCO[C@H]1C)c1ccc(F)cc1O	278735339	JJQKTMNVQWCILU-BHDSKKPTSA-N	269.316	1.722	10	20	CDCD	
COc1ccc(O)c(CN2CCC[C@H]3CNC[C@H]32)c1	299923759	XKUUMBAPLDEMTB-SMDDNHRTSA-N	262.353	1.585	10	20	CDCD	
CCCN(Cc1cccc(OC)c1O)[C@@H]1CCNC1	71314516	TWTVAOZDCWGNRK-CYBMUJFWSA-N	264.369	1.975	10	20	CDCD	
Nc1ccc(NC(=O)Cn2cc(C3CC3)cn2)cc1	402123789	MIIBQDJVWIVGDO-UHFFFAOYSA-N	256.309	1.981	10	20	CDCD	
CO[C@@H]1COC[C@H]1N[C@@H](C)c1ccc(C)cc1O	842913298	YVRHBTBSAAWXIH-ZKYQVNSYSA-N	251.326	1.765	10	20	CDCD	
Cc1nccn1CCCCNC(=O)c1cccc(O)c1O	187124666	BPPHRLOCXRFLOH-UHFFFAOYSA-N	289.335	1.813	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NC[C@H]1CCCC[C@@H]1O	180806405	PJBYCXMRYJUQJN-DZTBXEGKSA-N	291.347	1.778	10	20	CDCD	
CC[C@H](C)NC(=O)CN[C@H](C)c1cc(OC)ccc1O	182406460	GHZVKKBBGKSHFN-WDEREUQCSA-N	280.368	1.966	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C(C)(C)F	186405501	VUVHZQIMNBLAAR-QMMMGPOBSA-N	255.289	1.893	10	20	CDCD	
CCCN(CCN(C)C)C(=O)Cc1ccc(N)cc1	45661965	DLTNNMDDVVFSEC-UHFFFAOYSA-N	263.385	1.612	10	20	CDCD	
CCN(CC)C(=O)CCC(=O)N(C)Cc1ccccc1O	88296372	QBJZSYNLDKSNRR-UHFFFAOYSA-N	292.379	1.999	10	20	CDCD	
C[C@@]1(CNC(=O)Cc2ccc(N)cc2)CCCC[C@H]1O	237530240	LVSVOYGOXZQIBS-ZBFHGGJFSA-N	276.380	1.869	10	20	CDCD	
CN(C)CC1CCN(Cc2cc3c(cc2O)OCO3)CC1	96810775	SZRRQIRQZOERPZ-UHFFFAOYSA-N	292.379	1.895	10	20	CDCD	
NC(=O)c1ccc(NC(=S)NCc2ccccn2)cc1	240765888	AUFVZABNEGSOCN-UHFFFAOYSA-N	286.360	1.667	10	20	CDCD	
CCS(=O)(=O)C[C@@H](C)N[C@H](C)c1ccccc1O	183603789	KDDVITJQDGTOOH-GHMZBOCLSA-N	271.382	1.866	10	20	CDCD	
COc1cc(O)c(CN2CC[C@@H](O)[C@@H](C)C2)cc1OC	250054344	MHJGXWXKKDRSNZ-CMPLNLGQSA-N	281.352	1.612	10	20	CDCD	
C[C@H](NC[C@H](O)C1CCOCC1)c1ccccc1O	272900313	UYLMZRSTROEWSA-NHYWBVRUSA-N	265.353	1.830	10	20	CDCD	
CCOc1cccc(CN2CCN(C(C)C)C(=O)C2)c1O	272580417	XVFIDYHVQIDRJY-UHFFFAOYSA-N	292.379	1.844	10	20	CDCD	
COc1ccc(O)c(CN2CC[S@](=O)[C@H](C)[C@H]2C)c1	271832603	PEACBPYFQVZLNT-BFKGZMGPSA-N	283.393	1.742	10	20	CDCD	
CC[C@H]1CC[C@H](C(=O)NCc2ccc(O)c(O)c2)O1	272267163	COUCSRBSFHNXOS-GXFFZTMASA-N	265.309	1.672	10	20	CDCD	
COc1ccc(O)c(CN2CC[C@@H](n3cncn3)C2)c1	372371268	WIQCGHMTWUWNSU-GFCCVEGCSA-N	274.324	1.439	10	20	CDCD	
COC(=O)C[C@H]1COCCN1Cc1c(O)cccc1Cl	377835524	USDCMMOJSTWGNU-JTQLQIEISA-N	299.754	1.810	10	20	CDCD	
CCOc1ccc(O)c(CN[C@]2(C)CCOC2=O)c1	289888000	SKKCUGHFZXCACE-CQSZACIVSA-N	265.309	1.586	10	20	CDCD	
COc1cc(O)c(CNCC2([S@@](C)=O)CC2)cc1OC	281910378	ZYPNUPPPHPMESZ-HXUWFJFHSA-N	299.392	1.410	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CCc2cncnc2)cc1	292077820	WLDHTUDVUJTFAA-UHFFFAOYSA-N	284.363	1.792	10	20	CDCD	
C[C@@H]1CN(Cc2cc(Br)ccc2O)CC(=O)N1	295092574	TYEVAJWVQYATJJ-MRVPVSSYSA-N	299.168	1.475	10	20	CDCD	
COC(=O)C(C)(C)C(=O)COC(=O)c1cc(O)cs1	803346549	UTMQPFSJCCXVDI-UHFFFAOYSA-N	286.305	1.379	10	20	CDCD	
Cc1ccc(C(=O)N[C@H](CO)C2CCCC2)c(O)c1O	292093186	YLLMTFNLBHHRMG-GFCCVEGCSA-N	279.336	1.687	10	20	CDCD	
CCOC(=O)CN(Cc1ccccc1O)C[C@@H](C)OC	823576342	NGDNPRMIFHGCIP-GFCCVEGCSA-N	281.352	1.792	10	20	CDCD	
CC(=O)N[C@@](C)(C(=O)NCc1cc(C)ccc1O)C(C)C	827166334	HEERHHCZJQXQBQ-MRXNPFEDSA-N	292.379	1.868	10	20	CDCD	
CCn1cc(CNCc2cc(OC)c(OC)cc2O)nn1	827087694	SPHJOCOMMXGQHQ-UHFFFAOYSA-N	292.339	1.311	10	20	CDCD	
COC[C@]1(CO)CCN(Cc2cc(C)ccc2O)C1	825158516	NQBVENMEJPDZEL-OAHLLOKOSA-N	265.353	1.531	10	20	CDCD	
CC[C@@H](NCc1cc(OC)c(OC)cc1O)C(=O)NC	825316977	ZVOPFJXLQCIOMD-SNVBAGLBSA-N	282.340	1.024	10	20	CDCD	
Cn1cc(/C=C/C(=O)N2CCCc3ccnc(O)c32)cn1	823775338	ZKLFWXJKNDNWEI-SNAWJCMRSA-N	284.319	1.513	10	20	CDCD	
C[C@]1(CNC(=O)NCc2ccccc2O)CCOC1	733645992	NPRBKMIJKQAWMI-CQSZACIVSA-N	264.325	1.618	10	20	CDCD	
O=C(NC1CC1)[C@H]1CCCN1C(=O)c1cc(O)cs1	735523459	WFJUKPZARDUXCG-SNVBAGLBSA-N	280.349	1.337	10	20	CDCD	
COc1cc(O)c(CN2CCC[C@H](C(=O)O)C2)cc1OC	833728431	DJAWFVBXPFDRJZ-JTQLQIEISA-N	295.335	1.706	10	20	CDCD	
C[C@H](CC(=O)O)C(=O)NCc1cc(Cl)ccc1O	911331309	QDUAKODPJPUJND-SSDOTTSWSA-N	271.700	1.773	10	20	CDCD	
CN(CCNC(=O)NCCc1ccc(N)cc1)C1CC1	841809898	CQDXGEOZSNUYAW-UHFFFAOYSA-N	276.384	1.205	10	20	CDCD	
COC[C@](C)(O)CNCc1cc(C)c(C)cc1O	742370720	KNYBFVYHXRQUCD-CQSZACIVSA-N	253.342	1.496	10	20	CDCD	
CN[C@H]1CCCN(Cc2cc3c(cc2O)OCO3)C1	843048491	BYNYDPLMTMHRHK-NSHDSACASA-N	264.325	1.305	10	20	CDCD	
CO[C@H]1CCN(C(=O)NCCc2ccc(N)cc2)C[C@H]1C	841956270	ZZZJFFJETKWYJQ-DOMZBBRYSA-N	291.395	1.878	10	20	CDCD	
CCOc1ccc([C@H]2NC(=O)CN2CC(C)C)c(O)c1	917506009	JXVAYTKUUQBNSW-HNNXBMFYSA-N	278.352	1.877	10	20	CDCD	
C[C@@H]1C[C@@H](NCc2cc([N+](=O)[O-])ccc2O)CO1	842673435	LYHPKPUOIRTEAN-PSASIEDQSA-N	252.270	1.567	10	20	CDCD	
COCC1(CC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)CC1	843851250	LZGNJCGHYUZQPW-LLVKDONJSA-N	293.363	1.962	10	20	CDCD	
CO[C@@H](C)CS(=O)(=O)Nc1ccc(O)cc1Cl	849308025	DQVSIRDYZPCKBX-ZETCQYMHSA-N	279.745	1.822	10	20	CDCD	
O=C(CNC(=O)Cc1ccccc1)NCc1ccccc1O	748349209	BTYZIRPNXQLWQM-UHFFFAOYSA-N	298.342	1.367	10	20	CDCD	
CO[C@H]1CCN(C(=O)NCc2ccc(N(C)C)cc2C)C1	752983528	VQCCBOQPCMEJQQ-HNNXBMFYSA-N	291.395	1.991	10	20	CDCD	
COc1ccc(CNC(=O)CC[C@H]2CCCNC2)c(O)c1	857005992	HHFZNEGHWSMUPB-GFCCVEGCSA-N	292.379	1.797	10	20	CDCD	
O=[N+]([O-])c1ccc(O)c(CN[C@H](CO)CC(F)F)c1	758616265	RCOXGQQRJLMWFH-QMMMGPOBSA-N	276.239	1.406	10	20	CDCD	
CCOc1ccc(CN(C)C2CC(O)C2)c(O)c1	761223813	RKWMDHQACBDKCD-UHFFFAOYSA-N	251.326	1.746	10	20	CDCD	
Nc1ccc(NC(=O)C(=O)N(C2CC2)C2CC2)cc1	861516705	NNGRAVLKYZNCDG-UHFFFAOYSA-N	259.309	1.361	10	20	CDCD	
CC1(NCc2ccc(N3CCC(O)CC3)cc2)COC1	877690943	GTYQJXIAAVOBJR-UHFFFAOYSA-N	276.380	1.526	10	20	CDCD	
O[C@H]1C[C@H](CNCc2ccc(N3CCOCC3)c(F)c2)C1	873177385	JLBRVGYIXMWYIF-HDJSIYSDSA-N	294.370	1.523	10	20	CDCD	
COCC[C@@]1(NCc2cccc(C)c2O)CCOC1	775202993	IJOZATLMOOUNNV-OAHLLOKOSA-N	265.353	1.986	10	20	CDCD	
CN(C)c1cc(F)c(CNCC2(C)OCCO2)cc1F	1118800939	ITBRPLIFSWAPBE-UHFFFAOYSA-N	286.322	1.883	10	20	CDCD	
COC[C@]1(CO)CCN(Cc2c(C)cccc2O)C1	877573060	KZZDMMGXUOXECQ-OAHLLOKOSA-N	265.353	1.531	10	20	CDCD	
CC(=O)N1CCN(Cc2ccc(N)cc2)C(C)(C)C1	1120371510	ZQMKUQALCPTICU-UHFFFAOYSA-N	261.369	1.712	10	20	CDCD	
C[C@@H](NCCNC(=O)c1cc[nH]n1)c1c(O)cccc1F	886588036	KCGLEFOZGAGARF-SECBINFHSA-N	292.314	1.335	10	20	CDCD	
Cc1ccc(C(=O)NC(C)(C)c2cnn(C)c2)c(O)c1O	780954428	PTBNXINVOJNVQU-UHFFFAOYSA-N	289.335	1.805	10	20	CDCD	
CCOc1ccc(CN2CC[C@@H]([C@@H](C)O)C2)c(O)c1	780786234	JIOMIBGGQDTUGV-VXGBXAGGSA-N	265.353	1.994	10	20	CDCD	
CC(C)C(=O)NCCN[C@H](C)c1c(O)cccc1F	886490084	YZIFLPHWOILMFZ-SNVBAGLBSA-N	268.332	1.954	10	20	CDCD	
CCNC(=O)N1CC[C@@H](NCc2cc(F)cc(F)c2O)C1	883044201	KVBNHOMGYYUBCE-LLVKDONJSA-N	299.321	1.564	10	20	CDCD	
Cc1ccc(C(=O)N2CCO[C@H](C(C)C)C2)c(O)c1O	781021066	OLEINOJOIAJMTI-LBPRGKRZSA-N	279.336	1.903	10	20	CDCD	
COc1cc(C)cc(CN2C[C@@H]3CNC[C@H]3C2)c1O	894097327	JMKWKMYDKVMKEH-STQMWFEESA-N	262.353	1.360	10	20	CDCD	
COc1cc(C)cc(CN2CCN(C)C(=O)[C@@H]2C)c1O	894497712	PHZMGLWEKUDCOD-NSHDSACASA-N	278.352	1.372	10	20	CDCD	
COc1cc(C)cc(CNC2(CO)CCC2)c1O	894374039	AYUYSLWVARHTRZ-UHFFFAOYSA-N	251.326	1.714	10	20	CDCD	
C[C@H](NS(=O)(=O)N1CCC1)c1ccc(N(C)C)cc1	795932067	MYNMSBPLPGOIIH-NSHDSACASA-N	283.397	1.354	10	20	CDCD	
CN1C(=O)C(=Cc2ccc3c(c2)CCCC3)C(=O)N(C)C1=O	792860858	ZOOHEAUXYLYQCH-UHFFFAOYSA-N	298.342	1.999	10	20	CDCD	
CN1CCC[C@H](NCc2c(O)ccc(Cl)c2F)C1=O	790974404	UEOMPCUMMDFPKT-JTQLQIEISA-N	286.734	1.895	10	20	CDCD	
CO[C@H](C)CNCc1ccc(N2CCOCC2)cc1	191203164	ZBUBJNRKIKNAAO-CYBMUJFWSA-N	264.369	1.648	10	20	CDCD	
CC(C)[C@@H](O)c1nnc(N(C)Cc2ccccc2O)n1C	1339051957	OYDYKVMBUOMKLA-CYBMUJFWSA-N	290.367	1.847	10	20	CDCD	
CC[C@@H]1CCN(C(=O)C(=O)NCCc2ccc(N)cc2)C1	1348603189	BAPQATMSJMOMAT-GFCCVEGCSA-N	289.379	1.186	10	20	CDCD	
O=C(O)c1cnc(NCCc2ccc(O)c(O)c2)nc1	1608978082	WTVOHHHRCLPSKC-UHFFFAOYSA-N	275.264	1.241	10	20	CDCD	
COCCNC(=S)NCc1ccc(N(C)C)cc1	7371557	UECCMRLSDWSIBZ-UHFFFAOYSA-N	267.398	1.363	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCN[C@H]2C[C@@H]21	1579617338	NUAJHXFCDRVNCY-GJZGRUSLSA-N	288.395	1.317	10	20	CDCD	
C[C@@H](CNCc1ccc(N2CCC(O)CC2)cc1)C(=O)O	1589066707	NNVXKWOWFPDGTQ-LBPRGKRZSA-N	292.379	1.458	10	20	CDCD	
O=C(C[C@@]1(O)CCCNC1)NCc1cc(Cl)ccc1O	1580497542	BJOGINHVVTVSET-AWEZNQCLSA-N	298.770	1.166	10	20	CDCD	
C[C@H](N[C@@H]1CCCNC1)c1cc(C(=O)O)ccc1O	1593353768	DBKPRDPVMJEFAI-GXSJLCMTSA-N	264.325	1.493	10	20	CDCD	
CCc1nc(CC(=O)NCc2ccc(O)c(O)c2)cs1	158950059	FZTGBVFYTXENJL-UHFFFAOYSA-N	292.360	1.976	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)c1cscn1	158971563	DMMAFOAIGGCNTA-UHFFFAOYSA-N	250.279	1.484	10	20	CDCD	
COCCN1CCN(Cc2cc(C)cc(C)c2O)CC1=O	160826666	AXERYYJBUJEQEP-UHFFFAOYSA-N	292.379	1.300	10	20	CDCD	
COC[C@@](C)(O)CNCc1ccc2c(c1)CCCO2	921732412	MULBTXCGZBHSSL-HNNXBMFYSA-N	265.353	1.499	10	20	CDCD	
CC[C@H](NC(=O)Nc1ccc(N)cc1)C(C)(C)O	841300596	WVNXKCUQNOTUTI-NSHDSACASA-N	251.330	1.940	10	20	CDCD	
COc1ccc(O)c(CN2CCC[C@H](C)[C@@H]2CN)c1	226338623	KIRIKKWBIQMVND-FZMZJTMJSA-N	264.369	1.960	10	20	CDCD	
O=C(CNCc1cc(F)ccc1O)NCc1ccccc1	226588613	RMJMLEZFXDMZSH-UHFFFAOYSA-N	288.322	1.937	10	20	CDCD	
C[C@@H]1O[C@H](C)[C@@H](C(=O)NCCc2ccc(N)cc2)[C@@H]1C	226710419	YDWFUBWPZIDPOS-ZAZJYDDPSA-N	276.380	1.987	10	20	CDCD	
COc1cccc(CN2CC[C@@H](C)[C@@H](CN)C2)c1O	163439512	YVMHBBXRFPNAQF-YPMHNXCESA-N	264.369	1.818	10	20	CDCD	
CC[C@H]1NCC[C@H]1C(=O)NCc1ccc(N(C)C)cc1	289463693	ACNSJPLNGSBQGT-HUUCEWRRSA-N	275.396	1.757	10	20	CDCD	
O=C(NC[C@@H](CC1CC1)C(=O)O)c1cccc(O)c1O	405676958	LHQBIQXJXMHDNC-SECBINFHSA-N	279.292	1.329	10	20	CDCD	
CC1(C)CC[C@@H](CO)N(C(=O)c2cccc(O)c2O)C1	701647871	CGUCCXXUGXIHQO-JTQLQIEISA-N	279.336	1.721	10	20	CDCD	
CCS(=O)(=O)NCCN[C@H](C)c1ccc(N(C)C)cc1	390313130	CZDWLBUKYABFPC-GFCCVEGCSA-N	299.440	1.343	10	20	CDCD	
C[C@H](C(=O)NC(=O)NC1CC1)N(C)Cc1ccccc1O	109773073	HUEKRBXAMFCSLX-SNVBAGLBSA-N	291.351	1.201	10	20	CDCD	
COc1cccc(CNC(=O)Cc2c(C)noc2C)c1O	68488459	DBQXXQVLKQDILK-UHFFFAOYSA-N	290.319	1.865	10	20	CDCD	
CC1(C)OC[C@H](CNCc2ccc3c(c2)CCO3)O1	230210799	SGWNVXASLIMTMC-ZDUSSCGKSA-N	263.337	1.863	10	20	CDCD	
C[C@@H](CO)N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1	127637244	WNRURIFTJHBXAQ-RYUDHWBXSA-N	282.359	1.694	10	20	CDCD	
CN(CC(=O)N(C)C)Cc1cccc(Cl)c1O	124517729	VXLHJUOYSUKPHY-UHFFFAOYSA-N	256.733	1.566	10	20	CDCD	
CCc1cc(O)ccc1NS(=O)(=O)c1cn(C)c(C)n1	189428416	HFQXWWAGBOXHTF-UHFFFAOYSA-N	295.364	1.797	10	20	CDCD	
Cc1ncc(S(=O)(=O)NCc2ccccc2O)s1	229629327	BQYPZDPVJBZSLG-UHFFFAOYSA-N	284.362	1.636	10	20	CDCD	
C[C@@H](CC(=O)NCCc1ccc(N)cc1)[C@@H]1CCCNC1	237446978	QOWVEISVJWVWHU-DZGCQCFKSA-N	289.423	1.953	10	20	CDCD	
COCCOC[C@@H]1CCN(Cc2cccc(OC)c2O)C1	93755232	JJZROHSAYVRNPN-CYBMUJFWSA-N	295.379	1.886	10	20	CDCD	
C[C@H]1CN(c2ccc(CNC(=O)CN)cc2F)C[C@@H](C)O1	269235412	GMCPIOHTCMTWIQ-PHIMTYICSA-N	295.358	1.014	10	20	CDCD	
C[C@H](NC[C@@H](O)CN1CCCC1)c1ccc(N(C)C)cc1	268872104	VKPDAWULDYRDIF-WMLDXEAASA-N	291.439	1.860	10	20	CDCD	
CC[C@H](CO)NCc1ccc([N+](=O)[O-])c(OC)c1O	278498247	NFPKVTJQHUEXMM-SECBINFHSA-N	270.285	1.170	10	20	CDCD	
C[C@@]1(C(=O)NCc2ccc(O)c(O)c2)CCCOC1	272695856	HRNBBZPNCXSKJF-CQSZACIVSA-N	265.309	1.531	10	20	CDCD	
CCOc1cccc(CN[C@]2(CCO)CCOC2)c1O	278493220	LTBQDLKWMNQDIY-OAHLLOKOSA-N	281.352	1.422	10	20	CDCD	
COCCOCCN(C)c1ccc(OCC(=O)OC)cc1	273071487	JKSOXJHGRHWFFK-UHFFFAOYSA-N	297.351	1.338	10	20	CDCD	
CC[C@@H](NC[C@H]1CN(C)CCN1C)c1ccc(C)cc1O	280130283	OXYUAJPUBJPOIO-GOEBONIOSA-N	291.439	1.987	10	20	CDCD	
COc1ccc(CNC(=O)[C@@H]2O[C@H](C)C[C@H]2C)c(O)c1	800559629	GSNULUPQXRRZPZ-GPCCPHFNSA-N	279.336	1.831	10	20	CDCD	
C[C@H](NCCCc1cnn(C)n1)c1ccccc1O	293800268	UXXOFYIPRPIBJG-NSHDSACASA-N	260.341	1.804	10	20	CDCD	
CC(=O)C(=O)CSc1nncn1-c1ccccc1F	808015565	SEFATALFCLPXCW-UHFFFAOYSA-N	279.296	1.657	10	20	CDCD	
Cc1cc(CN2CCN(C[C@H](C)O)CC2)ccc1N(C)C	294726472	VZOXWFSJOAEDGV-HNNXBMFYSA-N	291.439	1.559	10	20	CDCD	
CC[C@@](C)(NC(=O)c1cc(O)cs1)C(=O)OC	824975258	CDVPVYRDDYTSAH-LLVKDONJSA-N	257.311	1.525	10	20	CDCD	
CC(=O)NCCCOC(=O)c1ccc(C)c(O)c1O	727003924	FSXOWCQDOOOMAE-UHFFFAOYSA-N	267.281	1.089	10	20	CDCD	
CC1=NO[C@](C)(C(=O)NCc2ccc(N(C)C)cc2)C1	901612154	YAEAGMXEEPRDAL-HNNXBMFYSA-N	275.352	1.924	10	20	CDCD	
C[C@H](OC(=O)c1cc(O)cs1)C(=O)NC1CC1	731912274	SXLBJSYDALJFAL-LURJTMIESA-N	255.295	1.278	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)NCC2(N)CC2)c1	902413078	HYVTZFLOTZFAFQ-VIFPVBQESA-N	264.325	1.321	10	20	CDCD	
CN(C)c1ccc([C@@H](N)CNC(=O)c2cccnc2)cc1	832283766	BEWKZFTXWRLAMC-HNNXBMFYSA-N	284.363	1.577	10	20	CDCD	
O=C1NCC[C@@H]1C(=O)NCc1c(O)ccc2c1CCCC2	830559808	WAYVQAHDHUVZRX-LBPRGKRZSA-N	288.347	1.023	10	20	CDCD	
CN(C)c1ccc(CN2CCNC[C@@H]2c2nccn2C)cc1	843122235	PMACNLTXCZMHER-MRXNPFEDSA-N	299.422	1.633	10	20	CDCD	
CCOc1ccc(CN2CC[C@@H](NC)C2)c(O)c1	843045508	UBVPGKGPVWJDIN-GFCCVEGCSA-N	250.342	1.585	10	20	CDCD	
CCN1C[C@@H](CN[C@H](C)c2ccccc2O)CC1=O	846209718	SMKXFTCBTJBBKZ-VXGBXAGGSA-N	262.353	1.911	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@H](C)CCCCN)c1O	841081574	YANHBFZYTUPCHG-SNVBAGLBSA-N	297.355	1.916	10	20	CDCD	
C[C@H](Nc1nc(N)nc(N)n1)c1ccc(N(C)C)cc1	858488378	RVBRXZCJBSRUJU-QMMMGPOBSA-N	273.344	1.275	10	20	CDCD	
CN(C)c1ccc(CNc2cnc(C(=O)O)cn2)cc1	830639878	RHXSMICEAWYJDW-UHFFFAOYSA-N	272.308	1.853	10	20	CDCD	
O[C@H](CNCc1ccc2c(c1)CCCO2)COCC1CC1	921630775	CYCCBYNKODHBJQ-MRXNPFEDSA-N	291.391	1.889	10	20	CDCD	
N[C@H]1C[C@H](C(=O)NCc2c(O)ccc3c2CCCC3)C1	852885519	XDJJPQYIEZDKKZ-HAQNSBGRSA-N	274.364	1.625	10	20	CDCD	
CCN(CCO)CCNCc1ccc2c(c1)CCCO2	922010318	RVXHHXCDVHOJTO-UHFFFAOYSA-N	278.396	1.415	10	20	CDCD	
CN1CC[C@@]2(CCCN(C(=O)c3cccc(O)c3O)C2)C1	854734669	AWGWUMLRHIUUIW-INIZCTEOSA-N	290.363	1.656	10	20	CDCD	
CN1CCN(Cc2cc(F)c(N(C)C)cc2F)CC1	862210523	NUTHVWLEWSTYAN-UHFFFAOYSA-N	269.339	1.778	10	20	CDCD	
COc1ccc(O)c(CNC(=O)C2SCCS2)c1	761983710	YIDBQJGLCQHTHT-UHFFFAOYSA-N	285.390	1.823	10	20	CDCD	
COc1ccc(CNC(=O)COC(F)(F)F)c(O)c1	935770369	CLNNKMIDQAYSQV-UHFFFAOYSA-N	279.214	1.553	10	20	CDCD	
CN(CCCO)Cc1c(O)cccc1Br	862354158	MOIQEWIEZXQIJV-UHFFFAOYSA-N	274.158	1.969	10	20	CDCD	
Cc1cccc(O)c1CN1CCC(C(=O)NCCO)CC1	876578222	FRYMBBXEXSWVTE-UHFFFAOYSA-N	292.379	1.021	10	20	CDCD	
Cc1ccc(CN[C@H](CO)[C@H]2CCCOC2)c(O)c1	877590002	VOTVSQJREAWZMG-UONOGXRCSA-N	265.353	1.578	10	20	CDCD	
CN1CC[C@H](C(=O)NCCCSc2nccs2)C1=O	772983324	ZBVVZAQNAIBABS-SECBINFHSA-N	299.421	1.220	10	20	CDCD	
COCCOCC(=O)N[C@@H](C)c1ccc(N(C)C)cc1	773008503	FKSWMHHOOPTAKG-LBPRGKRZSA-N	280.368	1.593	10	20	CDCD	
Cc1ccc(CN2CC[C@@H](C)S(=O)(=O)CC2)c(O)c1	877478059	LASNBYWXLGTCOX-GFCCVEGCSA-N	283.393	1.710	10	20	CDCD	
CC1=NO[C@](C)(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)C1	1120628610	GZXOUQGNHDAFMH-PSLIRLAXSA-N	292.335	1.700	10	20	CDCD	
C[C@@H](NC[C@H](O)c1cnn(C)c1)c1c(O)cccc1F	886532229	GGTFUUROTHCGNJ-RNCFNFMXSA-N	279.315	1.649	10	20	CDCD	
O=C(/C=C/[C@H]1CCOC1)NCc1cccc(O)c1O	1123977637	KOABPJOQOQHEKX-YEZKRMTDSA-N	263.293	1.307	10	20	CDCD	
CCNC(=O)CN(CC)Cc1ccc(OC)c(OC)c1O	891503512	HDYUVZYXMMWZND-UHFFFAOYSA-N	296.367	1.367	10	20	CDCD	
COc1ccc(CN[C@H]2CC[C@H](O)CC2)c(O)c1OC	893232246	LBCPSQUEKHKXCV-HAQNSBGRSA-N	281.352	1.803	10	20	CDCD	
COc1ccc(CNC(=O)[C@@H]2CSCCS2)c(O)c1	794390987	SIWIGOCJCJAQPJ-LBPRGKRZSA-N	299.417	1.866	10	20	CDCD	
CCOCCNC(=S)NCc1ccc(OC)cc1O	795031515	JDNPBCOVHHABRC-UHFFFAOYSA-N	284.381	1.401	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CSCN1	37807390	YPGARNASMCTDTD-CQSZACIVSA-N	293.436	1.764	10	20	CDCD	
CN1C[C@@H](NCc2ccc(Br)cc2O)CC1=O	691490811	YDUBMMPHGPMZQY-JTQLQIEISA-N	299.168	1.475	10	20	CDCD	
COc1cccc(O)c1CNCc1c(O)nnc(C)c1C	1324924208	XPDYAWJRKYNRQV-UHFFFAOYSA-N	289.335	1.803	10	20	CDCD	
CC(C)(C)N1CC[C@H](NC(=O)Cc2ccc(N)cc2)C1	693874922	ARUSGUCSIBCNSM-AWEZNQCLSA-N	275.396	1.800	10	20	CDCD	
Nc1ccc(Cc2noc(Cn3cc(C4CC4)nn3)n2)cc1	1326236736	NDUDOWWGTRODAN-UHFFFAOYSA-N	296.334	1.760	10	20	CDCD	
CCN(C(=O)NCc1ccc(N)cc1)[C@H]1CCNC1	1336289932	DOKSXRRCWCIDQP-ZDUSSCGKSA-N	262.357	1.162	10	20	CDCD	
COc1ccc(CN[C@H](CO)C(C)C)c(O)c1OC	1334186917	KESFQSMCAOBADI-LLVKDONJSA-N	269.341	1.516	10	20	CDCD	
C[C@@H](NCC1(C)OCCO1)c1c(O)cccc1F	1337586350	QXVLDHYYNXEABC-SECBINFHSA-N	255.289	1.945	10	20	CDCD	
Cc1nn(C)cc1CC(=O)NCc1ccc(N)cc1	1356226985	DOSVFKIIBJTLLA-UHFFFAOYSA-N	258.325	1.170	10	20	CDCD	
Cc1cccc(CN2CCN(C(C)(C)C(=O)O)CC2)c1O	1600533029	GRUNKDRBAHHXQU-UHFFFAOYSA-N	292.379	1.681	10	20	CDCD	
C[C@@](O)(CNCc1c(O)ccc(Cl)c1F)C(=O)O	1609972934	SNGRSHPJAFMCNB-LLVKDONJSA-N	277.679	1.110	10	20	CDCD	
Nc1ccc(CNC(=O)N2CCC[C@H]2CC(=O)O)cc1	1601215487	BCALMDQXWZQXEF-LBPRGKRZSA-N	277.324	1.418	10	20	CDCD	
COCCOCCN[C@@H](C)c1cc(C(=O)O)ccc1O	1610260867	BJGLCJCXCPTUNZ-JTQLQIEISA-N	283.324	1.404	10	20	CDCD	
CC1=CC(C(=O)Nc2nc(-c3ccncc3)n[nH]2)=S=C1	1627371598	AQUJWJXTQCWKMN-UHFFFAOYSA-N	285.332	1.473	10	20	CDCD	
C[C@H](NC[C@H]1C[C@@H]1C)c1cccc(-c2nn[nH]n2)c1O	1589978576	OWWOJUCPTVUBNP-LPEHRKFASA-N	273.340	1.879	10	20	CDCD	
C[C@@H](N[C@H](CN)C1CC1)c1cc(C(=O)O)ccc1O	1593207341	CIYZQAXEWNNKOO-PRHODGIISA-N	264.325	1.478	10	20	CDCD	
Cc1cc(O)c(CN2CCO[C@@H](C(=O)O)C2)c(Cl)c1	1594326535	FQXOYZITSOHRPY-GFCCVEGCSA-N	285.727	1.639	10	20	CDCD	
CCCCC[C@H](NC(=O)Cc1ccc(O)c(O)c1)C(=O)O	1595672057	CSTZQPPYWGHVTE-NSHDSACASA-N	295.335	1.790	10	20	CDCD	
COC(C)(C)CN[C@@H](C)c1cccc(-c2nn[nH]n2)c1O	1591314734	REAJKJSWDVRIHT-VIFPVBQESA-N	291.355	1.648	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2C[C@@H]3C[C@]3(C(=O)O)C2)c1O	1776210833	WELHVQCOQIVQPZ-BONVTDFDSA-N	293.294	1.640	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)C1(NC(N)=O)CC1	156217922	LIMHKSVQDRXUTG-UHFFFAOYSA-N	291.351	1.332	10	20	CDCD	
Nc1ccc(NC(=O)N[C@H](CO)C2CCCC2)cc1	841300355	VUSGANQAHYOISP-CYBMUJFWSA-N	263.341	1.941	10	20	CDCD	
CNC(=O)[C@]1(C)CCN(Cc2cc(F)ccc2O)C1	228099387	JSEGDQPVJBTMIB-CQSZACIVSA-N	266.316	1.489	10	20	CDCD	
CCN(CC)c1ccc(CNC[C@]2(O)CCOC2)cc1	229641480	QQGRQDWURMQZOK-MRXNPFEDSA-N	278.396	1.774	10	20	CDCD	
O=C(NCCc1ccccn1)c1cccc(O)c1O	126215599	JZOTXNLTKYDDSL-UHFFFAOYSA-N	258.277	1.465	10	20	CDCD	
Oc1c(Cl)cccc1CNC[C@H]1CN2CCC[C@@H]2CO1	158135619	FONGDJPMYXISOB-OLZOCXBDSA-N	296.798	1.998	10	20	CDCD	
COc1ccc(O)c([C@H](C)NCc2ncnn2C)c1	182393644	MDXVBERDKWBTMO-VIFPVBQESA-N	262.313	1.380	10	20	CDCD	
O=C(NC[C@H](O)c1cccc(F)c1)c1cccc(O)c1O	187025445	BFUIKSUEHBKQOQ-ZDUSSCGKSA-N	291.278	1.700	10	20	CDCD	
C[C@@H]1NC(=S)N(Cc2ccc(N3CCCC3)cc2)C1=O	30920412	MHPBSWMOEHEJSB-NSHDSACASA-N	289.404	1.892	10	20	CDCD	
CNC(=O)NC(=O)CN(C)c1ccc(OC(C)C)cc1	191579162	FREAIRGQTUOKGZ-UHFFFAOYSA-N	279.340	1.366	10	20	CDCD	
Cc1nc(C(=O)NCc2ccc(N(C)C)cc2)c[nH]1	82268282	MJVOCONFVQPPKJ-UHFFFAOYSA-N	258.325	1.714	10	20	CDCD	
C[C@H](NC[C@H]1COCCN1)c1cc2c(cc1O)CCCC2	530221019	BUPCVIMVZIYDAK-WFASDCNBSA-N	290.407	1.910	10	20	CDCD	
C[C@@H]1C[C@@H](C(=O)NCc2ccc(O)c(O)c2)CCO1	272199987	AKVROFQGSUJOGR-KOLCDFICSA-N	265.309	1.529	10	20	CDCD	
Cc1nn(C)cc1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	273139662	DQHLZBOZAMOZIX-VIFPVBQESA-N	289.335	1.501	10	20	CDCD	
CCN1CCN(Cc2cccc(Cl)c2O)CC1=O	273549891	YRKHRYMHFWWCKY-UHFFFAOYSA-N	268.744	1.710	10	20	CDCD	
CCOCCCNC(=O)c1c(F)ccc(O)c1O	276454284	BDAFPPZEAJIICD-UHFFFAOYSA-N	257.261	1.393	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1CCN(C)CC1	274944511	QJPKOQFKQLZLMQ-LLVKDONJSA-N	292.379	1.487	10	20	CDCD	
Cc1cccc(CN2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)c1O	373738392	OUOLCIRVARQHHR-YUTCNCBUSA-N	274.364	1.786	10	20	CDCD	
C[C@H](NC[C@H](CO)[C@H]1CCOC1)c1ccc(F)cc1O	280756880	FCZOLMGKQDYFOS-SDDRHHMPSA-N	283.343	1.827	10	20	CDCD	
CS(=O)(=O)[C@@H]1CCCN(Cc2ccccc2O)CC1	800533348	BCROWLRPGIFZBU-CYBMUJFWSA-N	283.393	1.791	10	20	CDCD	
C[C@@H](OC[C@H]1CCCO1)C(=O)NCc1ccccc1O	299617474	YUYCXOAAROCWPJ-DGCLKSJQSA-N	279.336	1.593	10	20	CDCD	
CN1CC[C@@]2(CCN(Cc3cc4c(cc3O)OCO4)C2)C1	292106763	PUDAUNJILBYLRU-MRXNPFEDSA-N	290.363	1.649	10	20	CDCD	
N#Cc1ccc(OCC(=O)NCc2ccccc2O)cc1	393359014	YXJVIVKXHONBKH-UHFFFAOYSA-N	282.299	1.959	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H]1CCNC(=O)C1	808094430	OICXNCRDCWJUBE-JTQLQIEISA-N	297.351	1.020	10	20	CDCD	
CO[C@@H]1CCC[C@@H](C(=O)NCCc2ccc(O)c(O)c2)C1	815833860	HXKJVWXWKVTNBN-CHWSQXEVSA-N	293.363	1.962	10	20	CDCD	
CN(Cc1ccc2ccccc2c1O)[C@H]1CCNC1=O	816521058	FLUKFLLAJVAMJC-AWEZNQCLSA-N	270.332	1.866	10	20	CDCD	
CCN(Cc1cc2c(cc1O)OC[C@H]2O)C[C@H](C)OC	812304516	XEOOXXDQBHSILJ-IINYFYTJSA-N	281.352	1.675	10	20	CDCD	
C[C@H](NC[C@H](N)c1ccc(N(C)C)cc1)c1c[nH]ccc1=N	817942576	PPPZVOBRVVSPPG-SJCJKPOMSA-N	299.422	1.911	10	20	CDCD	
COc1cccc(CNC(=O)NOC/C=C\Cl)c1O	812708511	TWLCEVPZGVOGOZ-UTCJRWHESA-N	286.715	1.884	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)NC[C@H](C)CN)c1	817961846	DOSBEZKGQHUCGR-NXEZZACHSA-N	266.341	1.424	10	20	CDCD	
COC[C@@H](C)[C@@H](C)C(=O)OCC(=O)c1ccc(O)c(O)c1	812627220	RUJSIWKLNLKSLC-NXEZZACHSA-N	296.319	1.742	10	20	CDCD	
Cc1cc(O)c(CNC[C@H](O)c2cnn(C)c2)cc1Cl	825326063	MGBSFZNAXCFGIU-AWEZNQCLSA-N	295.770	1.911	10	20	CDCD	
OCCCN1CCC[C@@H]1CNCc1ccccc1O	824559636	XGJUZHBRNCFLIF-CQSZACIVSA-N	264.369	1.329	10	20	CDCD	
CN(Cc1cc(Cl)cc([N+](=O)[O-])c1O)C1(CO)CC1	827903417	HDALFKIXWNEBFJ-UHFFFAOYSA-N	286.715	1.911	10	20	CDCD	
CO[C@H]1COCC[C@@H]1CNCc1cc([N+](=O)[O-])ccc1O	824709015	MBCZONLIVAJJSV-YGRLFVJLSA-N	296.323	1.442	10	20	CDCD	
COc1cc(O)c(CNC2([C@@H](C)O)CC2)cc1OC	827586355	WOLQRHITGUJLCF-SECBINFHSA-N	267.325	1.412	10	20	CDCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CCC(N)=O	906344017	AVGQWAVMVRTOSZ-UHFFFAOYSA-N	291.395	1.755	10	20	CDCD	
Cc1cc(O)c(CN2CCOC[C@H]2C(=O)O)cc1C	833746602	DGMSMYNRIPCZCZ-LBPRGKRZSA-N	265.309	1.294	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNC[C@H]2CC[C@@H](C)O2)c1O	835087806	RDXJYBWROHBVHV-MWLCHTKSSA-N	296.323	1.966	10	20	CDCD	
CCc1cc(CNC(=O)c2cc(O)cs2)n[nH]1	732835834	QRTDWGCXEFCRMD-UHFFFAOYSA-N	251.311	1.669	10	20	CDCD	
CCn1nncc1CN(C)c1ccc2c(c1)OCO2	838900906	NBCABUHOUQOSQV-UHFFFAOYSA-N	260.297	1.663	10	20	CDCD	
CCOc1ccc(CN[C@@H]2CCC[C@H]2O)c(O)c1	835080508	RYANUEWKLLJPIJ-CHWSQXEVSA-N	251.326	1.794	10	20	CDCD	
C[C@@H]1OCC[C@@H]1C(=O)N(CC(=O)O)Cc1ccccc1O	911483853	HELHWJFRAVYINA-JQWIXIFHSA-N	293.319	1.230	10	20	CDCD	
CC1=NO[C@@H](C(=O)NC[C@H](N)c2ccc(N(C)C)cc2)C1	911668203	WDLYIYFAIOIHOF-UONOGXRCSA-N	290.367	1.033	10	20	CDCD	
Cc1cc(O)c(CN2CC[C@H](C(=O)N(C)C)C2)cc1C	840176345	CVGOMHYWGBABHM-ZDUSSCGKSA-N	276.380	1.919	10	20	CDCD	
COCC1(CC(=O)NCc2cc(OC)ccc2O)CC1	843832299	VYMOXXIZNBCXPD-UHFFFAOYSA-N	279.336	1.834	10	20	CDCD	
C[C@@H](C(=O)NCc1ccc(O)cc1O)N1CCSCC1	910949121	FONPNGXGZSVARJ-JTQLQIEISA-N	296.392	1.151	10	20	CDCD	
COc1cccc(CN[C@H](CN)CC(C)C)c1O	841038892	TXKDHTMSIWHHRE-LBPRGKRZSA-N	252.358	1.864	10	20	CDCD	
C[C@H]1CCNC[C@@H]1NCc1ccc(N(C)C)c(F)c1	841058504	IEIPKBILJFJUOG-FZMZJTMJSA-N	265.376	1.979	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N(C)CCCN	841826763	ISNGFFPCIQUFAW-UHFFFAOYSA-N	278.400	1.551	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1CC(=O)N[C@@H](C)C1	840950284	ILLGEHIFQBNTRN-LBPRGKRZSA-N	261.369	1.381	10	20	CDCD	
COCCOC[C@H](C)NC(=O)N(C)Cc1ccccc1O	745863047	BAKZMUGFBHHBHI-LBPRGKRZSA-N	296.367	1.585	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NCCNC2CC2)cc1F	841761988	SRCNJANZBVPGPX-UHFFFAOYSA-N	294.374	1.443	10	20	CDCD	
CNCCCN(C)Cc1ccc(N(C)C)c(F)c1	841103293	GEARALKJMZFJKL-UHFFFAOYSA-N	253.365	1.933	10	20	CDCD	
C[C@@H]1C[C@@H]1C(=O)N(CC(=O)O)Cc1ccccc1O	911483970	IBBSANKRINONLL-KOLCDFICSA-N	263.293	1.461	10	20	CDCD	
COc1cccc(CNC(=O)NCc2nc(C)no2)c1O	745798966	DBEFWPNTACMUSJ-UHFFFAOYSA-N	292.295	1.092	10	20	CDCD	
Cc1ccc(C(=O)NCc2cn(C(C)C)nn2)c(O)c1O	848117145	NKNUDRCVXYYOBX-UHFFFAOYSA-N	290.323	1.509	10	20	CDCD	
C[C@H](CC(=O)NCc1ccc(O)cc1O)c1cnn(C)c1	910945008	SAKDLILAMNYHQB-SNVBAGLBSA-N	289.335	1.641	10	20	CDCD	
CN(C(=O)NCCc1ccc(N)cc1)C1CCOCC1	842821449	JFIYITYXAZBLLX-UHFFFAOYSA-N	277.368	1.632	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N2CC[C@@H]3CNC[C@@H]32)cc1	841652378	DDWRHWROCLGVOD-HIFRSBDPSA-N	288.395	1.256	10	20	CDCD	
C[C@@H]1CSCCN1C(=O)NCCc1ccc(N)cc1	841954998	SNNJVXOTWGFTRO-LLVKDONJSA-N	279.409	1.958	10	20	CDCD	
CCO[C@@H]1COCC[C@@H]1NC(=O)NCc1ccccc1O	759299355	DXUMCEAXFTWYKC-GXTWGEPZSA-N	294.351	1.385	10	20	CDCD	
O=[N+]([O-])c1cc(Cl)cc(CN[C@H]2C[C@H](CO)C2)c1O	923008826	YGJBTOZMIBFIQJ-GVJMRKKJSA-N	286.715	1.814	10	20	CDCD	
COCCCOCCc1nc(Cc2ccc(N)cc2)no1	854134382	PXTCLNFCKHRRET-UHFFFAOYSA-N	291.351	1.838	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)NC1COC(C)(C)OC1	758729057	CYYLMILRBBKOMH-UHFFFAOYSA-N	294.351	1.685	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)C(C)(C)N2CCOCC2)c1	862755678	JTAFWOBYSNAGQJ-UHFFFAOYSA-N	292.379	1.428	10	20	CDCD	
O=C(NCC1(N2CCOCC2)CC1)c1cc(O)cs1	765945439	YMVKMWYFPRZMRY-UHFFFAOYSA-N	282.365	1.048	10	20	CDCD	
CN(C)c1cc(F)c(CN2CCc3nn[nH]c3C2)cc1F	862418931	TXEGIQZYIZJMJM-UHFFFAOYSA-N	293.321	1.707	10	20	CDCD	
CNC(=O)[C@@H]1CCC[C@@H]1NCc1ccc(N(C)C)c(F)c1	765797234	QXHOGQAVJAMONY-OCCSQVGLSA-N	293.386	1.896	10	20	CDCD	
CCCN(CC(N)=O)Cc1cc(F)c(N(C)C)cc1F	862375031	VTQZRWCFYUUJDP-UHFFFAOYSA-N	285.338	1.728	10	20	CDCD	
CCOc1ccc(CN2CCC3(C2)OCCO3)c(O)c1	769310253	JQFTWLJJXOLEGO-UHFFFAOYSA-N	279.336	1.740	10	20	CDCD	
COC(=O)c1coc(/C=C2\SC(=S)NC2=O)c1	763171291	PJBKEASSHBJVEK-CLTKARDFSA-N	269.303	1.555	10	20	CDCD	
C[C@@H](NC(=O)[C@]1(C)CCCNC1)c1ccccc1O	877255976	LJFHYFJHXBXJMX-IAQYHMDHSA-N	262.353	1.959	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)CC[C@@]2(C)CCC(=O)N2)c1	862757631	AIWATUHUPZNFNQ-INIZCTEOSA-N	290.363	1.766	10	20	CDCD	
CN(C)c1ccc(CN[C@H]2CCNC(=O)CC2)cc1F	873029822	RXVIRFJMLQYEQT-GFCCVEGCSA-N	279.359	1.650	10	20	CDCD	
O=C1N[C@H](c2ccc(O)c(O)c2)N2Cc3ccccc3C[C@@H]12	877866242	FYQUDWNQATYXNJ-BBRMVZONSA-N	296.326	1.653	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NCCn1cccc1	779526204	QJKYKEAOAPTCCI-GQCTYLIASA-N	272.304	1.729	10	20	CDCD	
C[C@@H]1COCCN1Cc1ccc(N2CCC(O)CC2)cc1	876611399	ZPXXOAUBAFAXFF-CQSZACIVSA-N	290.407	1.868	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NCCOCCN(C)C)c1	875523988	OSNZTUPHFQKBHE-UHFFFAOYSA-N	295.383	1.078	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@H]2CCN(C)C2)c1O	775013902	RTIJTBBBUZCZFJ-JTQLQIEISA-N	281.312	1.103	10	20	CDCD	
C[C@H](CN1CCN(C)CC1)N[C@H](C)c1c(O)cccc1F	886525002	VOMAWVBXFMFOGA-CHWSQXEVSA-N	295.402	1.818	10	20	CDCD	
Cc1nnc(CNC(=O)c2ccc(C)c(O)c2O)s1	781050043	RTBCIOVTZNMEIS-UHFFFAOYSA-N	279.321	1.496	10	20	CDCD	
Oc1c(F)cc(F)cc1CN1CCN([C@@H]2CCOC2)CC1	895259358	LIJLJUUJPWEDBO-CYBMUJFWSA-N	298.333	1.577	10	20	CDCD	
CCOC(=O)[C@H]1CCN(Cc2cccc(OC)c2O)C1	896962599	OKQZOTATNAJKOW-LBPRGKRZSA-N	279.336	1.786	10	20	CDCD	
CCCN1CC[C@H](NCc2ccc(OC)c(OC)c2O)C1	895439268	ZLHBWLSBIVWOKW-ZDUSSCGKSA-N	294.395	1.983	10	20	CDCD	
COc1cccc(CN2C[C@@H](C)S(=O)[C@H](C)C2)c1O	792193281	UULCJJLWFNEPID-GHMZBOCLSA-N	283.393	1.742	10	20	CDCD	
[N-]=[N+]=NCc1ccc(C(=O)N2CCC(=O)C2)s1	1537962761	BZFBCLDYDGLSQQ-UHFFFAOYSA-N	250.283	1.973	10	20	CDCD	
CC(C)[C@@H](N)C(=O)NCc1ccc2c(c1)CCCN2C	166473685	BKSNKHGIOIRLJI-OAHLLOKOSA-N	275.396	1.669	10	20	CDCD	
CCN1CCC[C@H](NCc2cc(C)ccc2O)C1=O	722349102	XWZXXIWTCFTNCE-ZDUSSCGKSA-N	262.353	1.801	10	20	CDCD	
CCOc1cccc(CN[C@H]2C[C@@H](CO)C2)c1O	707493660	OFKCUWOCPSXQHI-KLPPZKSPSA-N	251.326	1.651	10	20	CDCD	
COc1ccc(CNCCCCS(C)(=O)=O)cc1C	692840662	CSQUZZJIHTZKKJ-UHFFFAOYSA-N	285.409	1.918	10	20	CDCD	
COC[C@](C)(O)CNCc1ccc2c(c1)CCO2	69912453	MJHUKUHQMWYICD-CQSZACIVSA-N	251.326	1.109	10	20	CDCD	
C[C@@H]1C[C@H](NC(=O)N[C@H](C)c2ccccc2O)C(=O)O1	1333808274	GRAFBULPPARRLL-KKZNHRDASA-N	278.308	1.456	10	20	CDCD	
Nc1ccc(CNC(=O)N2CCC[C@]23CCOC3=O)cc1	1336290149	HSOISFKHFYDWDE-OAHLLOKOSA-N	289.335	1.260	10	20	CDCD	
CC[C@@H](C)[C@@H](O)CNCc1ccc(OC)c(OC)c1O	1334951714	LKQAISYONXWKSS-PWSUYJOCSA-N	283.368	1.906	10	20	CDCD	
Cc1cc(O)c(CN[C@@H]2CCC(=O)N(C)C2=O)cc1Cl	1330807700	GXBZGIXERZKUPU-LLVKDONJSA-N	296.754	1.591	10	20	CDCD	
C[C@H](CO)CCCNC(=O)NCc1ccc(N)cc1	1353377908	MHRWEIXUMVHIOH-NSHDSACASA-N	265.357	1.477	10	20	CDCD	
O=C(O)C[C@@H]1CCCN1Cc1cc2c(cc1O)OC[C@H]2O	1608696622	LEPHTNZKDQYIMY-GXFFZTMASA-N	293.319	1.257	10	20	CDCD	
Cn1cc(/C=C\C(=O)N2CCc3c(C(=O)O)cccc32)cn1	1600944996	DAXNRELLBYOBHM-WAYWQWQTSA-N	297.314	1.721	10	20	CDCD	
CCC[C@@H](NCc1cc(OC)c(OC)cc1O)C(=O)O	1605354537	JXRNBCCOKOAMDQ-SNVBAGLBSA-N	283.324	1.752	10	20	CDCD	
COc1cc(C)cc(CN2C[C@@H](C(=O)O)O[C@H](C)C2)c1O	1607149225	BWNBDIQVPHSUGA-MFKMUULPSA-N	295.335	1.383	10	20	CDCD	
O=C(O)c1coc(CNCc2cc3c(cc2O)OCO3)c1	1608989475	NLDKBAAJOBHDEP-UHFFFAOYSA-N	291.259	1.702	10	20	CDCD	
NC(=O)N=Nc1ccc(C(=O)N2CC[C@@H](C(=O)O)C2)cc1	1594644642	IGIMNFXPZNEUDX-SECBINFHSA-N	290.279	1.396	10	20	CDCD	
CCCNC(=O)[C@H](C)Sc1ncc(C(=O)O)s1	1595916552	YIKZTYFHOYGBKN-LURJTMIESA-N	274.367	1.848	10	20	CDCD	
O=C(CCOCC(F)(F)F)NCc1ccc(O)c(O)c1	159057397	UJBGIPADOHEVNL-UHFFFAOYSA-N	293.241	1.683	10	20	CDCD	
CCCCO[C@@H](C)C(=O)NCc1ccc(O)c(O)c1	159060529	NZENJWZQILRCSP-JTQLQIEISA-N	267.325	1.919	10	20	CDCD	
c1cc2c(cc1CNC[C@H]1COCCN1)CCCO2	258874744	IGLQVUNQMCKWPB-AWEZNQCLSA-N	262.353	1.090	10	20	CDCD	
O[C@]1(CNCc2ccc(N3CCCC3)cc2)CCOC1	229642107	DMCFITORVLALRR-INIZCTEOSA-N	276.380	1.528	10	20	CDCD	
Cc1c(C(=O)NCCc2ccc(N)cc2)cnn1C	40675668	YCADTGVNPXLOOA-UHFFFAOYSA-N	258.325	1.283	10	20	CDCD	
CC(C)N(C)S(=O)(=O)N(C)Cc1ccccc1O	269757268	BNHPEQHUJAQUDL-UHFFFAOYSA-N	272.370	1.409	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2C[C@@H](O)C[C@@H]2C)c1O	384999776	IXSMPHHVMVOUGD-UFBFGSQYSA-N	267.300	1.689	10	20	CDCD	
COc1ccc(CN[C@@H]2CCNC(=O)CC2)c(O)c1	396763467	KQHSTKPIQPHQRS-NSHDSACASA-N	264.325	1.159	10	20	CDCD	
CCOCc1cc(CNC[C@]2(O)CCOC2)ccc1OC	179017893	IYZODBQFDOXSKF-MRXNPFEDSA-N	295.379	1.473	10	20	CDCD	
Cn1cnnc1[C@@H]1CCCN1Cc1ccccc1O	179582788	TWMGWPLEMTZZBA-LBPRGKRZSA-N	258.325	1.858	10	20	CDCD	
CC(C)C[C@@H](O)CNC(=O)NCc1ccc(N(C)C)cc1	120071559	GCEVAOCGXKAPRX-OAHLLOKOSA-N	293.411	1.959	10	20	CDCD	
C[C@H]1OCCN(C(=O)/C=C/c2ccc(O)c(O)c2)[C@@H]1C	181214196	HKLHXNTZQLGTJF-JYBZGJHDSA-N	277.320	1.747	10	20	CDCD	
COc1cccc(CNc2ncc([N+](=O)[O-])c(N)n2)c1O	76270058	XCKKQUPROARRSE-UHFFFAOYSA-N	291.267	1.293	10	20	CDCD	
CN1C(=O)C(=Cc2ccc([N+](=O)[O-])s2)C(=O)N(C)C1=O	180692505	IQDVSLPLVJYMJY-UHFFFAOYSA-N	295.276	1.090	10	20	CDCD	
C[C@H](NCCCS(N)(=O)=O)c1ccc(N(C)C)cc1	45069396	OPTJHESBDDMPDI-NSHDSACASA-N	285.413	1.082	10	20	CDCD	
CCNC(=O)[C@H](C)NC(=O)NCc1ccc(N(C)C)cc1	46072229	PSXUYSLHGFDNFM-NSHDSACASA-N	292.383	1.076	10	20	CDCD	
COC(=O)CN(C)Cc1cc(F)cc(C(C)=O)c1O	176890043	CMLPHDHWVJEIAS-UHFFFAOYSA-N	269.272	1.339	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@H]2C[C@]23CCOC3)c1	363806077	VMFAFXPYUSIKOQ-DOMZBBRYSA-N	277.320	1.444	10	20	CDCD	
COc1cccc(CN[C@H]2CCc3c[nH]nc3C2)c1O	369828614	BJLOHLULQUXQKI-LBPRGKRZSA-N	273.336	1.771	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)NC[C@H](O)C(C)C)c1	273616617	XLUWQFLQSPHOKM-HZMBPMFUSA-N	281.352	1.846	10	20	CDCD	
COC(=O)[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C(C)C	272528596	WOKQLCYDKUXXKW-HZRUHFOJSA-N	293.319	1.425	10	20	CDCD	
CC(C)OCC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	274929107	NDYCEKPSSDEESB-JTQLQIEISA-N	267.325	1.570	10	20	CDCD	
O=C1CN(Cc2cccc(Cl)c2O)CN1C1CC1	280381173	FMELQEDWJRMRKX-UHFFFAOYSA-N	266.728	1.810	10	20	CDCD	
CCN(C)c1ccc([C@H](C)N[C@@H](CO)COC)cc1	281000300	NODALVIACUYEJO-JSGCOSHPSA-N	266.385	1.801	10	20	CDCD	
CCCCN(Cc1nc(=O)n(C)[nH]1)Cc1ccccc1O	801594450	AVSOTTHFJCJIET-UHFFFAOYSA-N	290.367	1.616	10	20	CDCD	
COc1cccc(CNC(=O)CCc2ncc[nH]2)c1O	806762949	MOOLOEYYMIIBBQ-UHFFFAOYSA-N	275.308	1.373	10	20	CDCD	
CCOc1ccc(CN2CC[C@](F)(CO)C2)c(O)c1	802660834	XIYSVLRZOMPPHR-CQSZACIVSA-N	269.316	1.697	10	20	CDCD	
C[C@H](NCCCN1CCNCC1)c1cc(F)ccc1O	817934766	CJFKGBNZCOOGNS-LBPRGKRZSA-N	281.375	1.477	10	20	CDCD	
C[C@@H](NC[C@@H]1CNCCO1)c1ccc(F)cc1O	817984397	XOBDFIJSBSNGAV-KOLCDFICSA-N	254.305	1.170	10	20	CDCD	
CCO[C@@H]1COC[C@H]1NCc1cc(C)ccc1O	825197376	WHVMGVBWOCYQTK-TZMCWYRMSA-N	251.326	1.594	10	20	CDCD	
CCOc1ccc(CN(C)C[C@@H]2COCCO2)c(O)c1	827140081	HKXPUIRLOWGNPL-CQSZACIVSA-N	281.352	1.638	10	20	CDCD	
O=[N+]([O-])c1ccc(O)c(CNC[C@H](O)C2CCC2)c1	825240462	LYUGYGHZSOCDQJ-ZDUSSCGKSA-N	266.297	1.551	10	20	CDCD	
CCN(CC)C(=O)CNCc1ccc(N(C)C)c(F)c1	733325416	HNXROJRJZIKSNT-UHFFFAOYSA-N	281.375	1.850	10	20	CDCD	
CC[C@H](NC(=O)c1ccc(C)c(O)c1O)C(OC)OC	834419155	RBGUKYASSQAZJL-JTQLQIEISA-N	283.324	1.534	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)Cc2n[nH]c(C)n2)c1	830540982	QPKUHOCCIQCNCV-MRVPVSSYSA-N	290.323	1.247	10	20	CDCD	
CC[C@@H]1CN(Cc2cc(OC)c(OC)cc2O)CC[C@@H]1N	843052849	VRXPTDUUZLXAMP-YPMHNXCESA-N	294.395	1.969	10	20	CDCD	
CCNC(=O)NC(=O)CN(CC)c1ccc(OCC)cc1	746159730	ZJWCFUXMJBMDNK-UHFFFAOYSA-N	293.367	1.757	10	20	CDCD	
COCCCN(C)C(=O)NCCc1ccc(N)cc1	841956781	HSEHEZFIGIKIHG-UHFFFAOYSA-N	265.357	1.489	10	20	CDCD	
Cc1ccc(C(=O)N2CCO[C@@H](CF)C2)c(O)c1O	840484282	QPQHPMFHRHUBRM-VIFPVBQESA-N	269.272	1.217	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)N[C@@H]2CCNC2)cc1	841718860	CZXLIIHPYZAMKB-CQSZACIVSA-N	290.411	1.694	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2CCCNCC2)c1O	843044524	GGMSVITXJAOYAI-UHFFFAOYSA-N	281.312	1.104	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N[C@H](CO)CC2CC2)cc1	754786199	SGEQRPLIBFQILC-AWEZNQCLSA-N	291.395	1.713	10	20	CDCD	
CC1(C)OCC(NC(=O)/C=C/c2ccc(O)c(O)c2)CO1	756707194	WRAVGWYGPWLCGW-GQCTYLIASA-N	293.319	1.379	10	20	CDCD	
CC[C@@H](NC)C(=O)NCc1ccc(N2CCOCC2)cc1	852795150	VTEUERZKAQABTK-OAHLLOKOSA-N	291.395	1.137	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)N[C@@H](C)C[S@@](C)=O)c1	858358280	NQCJOAHEIIZRHG-APBUJDDRSA-N	284.381	1.267	10	20	CDCD	
C[C@H]1C[C@H](NCc2ncn(C)n2)c2c(O)ccc(F)c21	756778871	GDHVJNQVMJLXDZ-WPRPVWTQSA-N	276.315	1.998	10	20	CDCD	
CCOc1ccc(CN(C)[C@H]2CCS(=O)(=O)C2)c(O)c1	768138541	OJSLYWNGWFVYQN-LBPRGKRZSA-N	299.392	1.410	10	20	CDCD	
C[C@H](O)CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1	765541755	NCRBTGYLLYCSOH-QWRGUYRKSA-N	265.357	1.494	10	20	CDCD	
COCCOC[C@H]1CCN(Cc2c(O)cccc2OC)C1	769508459	QQWFGLYIOBTYRG-ZDUSSCGKSA-N	295.379	1.886	10	20	CDCD	
Cc1ccc(CNCCOC[C@@H]2CCOC2)c(O)c1	877008178	MHZGNECRODYOMA-CYBMUJFWSA-N	265.353	1.843	10	20	CDCD	
NC(=O)[C@@H]1CCCN(Cc2cc(Cl)cc(F)c2O)C1	775632830	ABMQTJKTAJQOBO-MRVPVSSYSA-N	286.734	1.882	10	20	CDCD	
CN(C)c1ccc(CN2C[C@@H](O)C[C@@]2(C)CO)cc1	878984630	VYLQBCXTOIMZLC-GJZGRUSLSA-N	264.369	1.070	10	20	CDCD	
CN1CCN(c2ccc(CNCC3(C)COC3)cc2)CC1	771838684	UTOGJTBKLZPBLD-UHFFFAOYSA-N	289.423	1.565	10	20	CDCD	
COC[C@@](C)(CO)NCc1cc(F)cc(C(C)=O)c1O	879163890	NYTFFOYNDQGGME-CQSZACIVSA-N	285.315	1.221	10	20	CDCD	
Cc1cccc(O)c1CN1CCS(=O)(=O)C[C@@H](C)C1	877477692	HMEMOGWGZSNOHW-NSHDSACASA-N	283.393	1.567	10	20	CDCD	
CCN(C)c1ccc(CN2CCSC[C@H]2C(N)=O)cc1	773810397	CBLBQYIGADFYMF-AWEZNQCLSA-N	293.436	1.545	10	20	CDCD	
CCOC(=O)CCN(C)C(=O)/C=C/c1ccc(O)c(O)c1	779482789	AWGOEDMRZYYSFX-FNORWQNLSA-N	293.319	1.523	10	20	CDCD	
Cc1ccc([C@@H](C)NCc2nnn(C)n2)c(O)c1C	787044896	WUEHZTNADLAEFE-SNVBAGLBSA-N	261.329	1.383	10	20	CDCD	
COc1cc(C)cc(CNCC2(C)COC2)c1O	894255889	LCRPNCSAIHRKJA-UHFFFAOYSA-N	251.326	1.835	10	20	CDCD	
COc1cc(C)cc(CN2CCOC[C@@]23CCOC3)c1O	894662217	IVMNOGVOUMCRTH-INIZCTEOSA-N	293.363	1.701	10	20	CDCD	
COc1cc(C)cc(CNCC(=O)NCC2CC2)c1O	894420163	KNKHEQHAMVRRQM-UHFFFAOYSA-N	278.352	1.325	10	20	CDCD	
COc1cc(C)cc(CN(CC(N)=O)C2CCCC2)c1O	893928713	DXSSRFSMXVORJK-UHFFFAOYSA-N	292.379	1.939	10	20	CDCD	
Cc1cccc(O)c1CN1CC(N2CCCC2=O)C1	897784331	CUKJBBKVTIAWIH-UHFFFAOYSA-N	260.337	1.507	10	20	CDCD	
CC(C)OC(=O)CC[C@H](C)NC(=O)c1cccc(O)c1O	792597049	FLQGWYADFFAAHD-JTQLQIEISA-N	295.335	1.948	10	20	CDCD	
COc1cc(C)cc(CN2CC[C@@H](S(C)(=O)=O)C2)c1O	799948854	YLLQKQFQIXCGNC-GFCCVEGCSA-N	299.392	1.328	10	20	CDCD	
COCCNCc1ccc(N2CCOCC2)c(F)c1	62103317	SHWMYYMHQCJMQA-UHFFFAOYSA-N	268.332	1.398	10	20	CDCD	
Cc1ccc([C@@H](C)NC[C@@H](C)S(C)(=O)=O)c(O)c1	697580931	XUICKBNNTCHNMZ-GHMZBOCLSA-N	271.382	1.784	10	20	CDCD	
CSC[C@@H](NCc1ccc2c(c1)CCO2)C(=O)O	1332478079	YDWPFCBTAMTQNP-LLVKDONJSA-N	267.350	1.527	10	20	CDCD	
CNC(=O)CCCCC(=O)NCc1ccc(N)cc1	1263303738	GVXYDVCHBDWGFD-UHFFFAOYSA-N	263.341	1.191	10	20	CDCD	
C[C@H](NCCc1ccn(C)n1)c1cc(C(=O)O)ccc1O	1609782314	ZLABSRSAVLHNTF-JTQLQIEISA-N	289.335	1.717	10	20	CDCD	
C[C@H](NCC(C)(C)N)c1cc(C(=O)O)ccc1O	1609774963	XSSIJJDAFBGYEX-QMMMGPOBSA-N	252.314	1.478	10	20	CDCD	
C[C@@H](NCC(C)(C)CO)c1cc(C(=O)O)ccc1O	1609771156	BZDUNADSBVZPLM-SECBINFHSA-N	267.325	1.760	10	20	CDCD	
C[C@H](C[S@](C)=O)N[C@H](C)c1cc(C(=O)O)ccc1O	1604213198	DSXHXYJCNJZVPV-LQJGKPAFSA-N	285.365	1.508	10	20	CDCD	
C[C@H](N[C@H](C)C[S@](C)=O)c1cc(C(=O)O)ccc1O	1604213199	DSXHXYJCNJZVPV-MGOSUKFUSA-N	285.365	1.508	10	20	CDCD	
O=C(O)[C@@H]1C[C@@H](O)CN1Cc1c(O)ccc(Cl)c1F	1601771545	FZHIUCYHXRURIX-MUWHJKNJSA-N	289.690	1.205	10	20	CDCD	
COc1cc(O)c(CN[C@H]2CC[C@@H](C(=O)O)C2)cc1OC	1574187143	DDFYARFPDHZVMM-KOLCDFICSA-N	295.335	1.752	10	20	CDCD	
CN1CCC[C@H]1c1cc(C(=O)Oc2ccc(N)cc2)n[nH]1	1578529058	PSXZPMXPONVTHN-AWEZNQCLSA-N	286.335	1.978	10	20	CDCD	
CC(C)(C(=O)O)n1ccc(NC(=O)c2cc(O)cs2)n1	1588627356	MGIQDOIBARVHQJ-UHFFFAOYSA-N	295.320	1.722	10	20	CDCD	
C[C@H](N[C@H]1C[C@@H](C(N)=O)C1)c1cc(C(=O)O)ccc1O	1593360479	RXARYTIPDFRNKW-UJNFCWOMSA-N	278.308	1.005	10	20	CDCD	
CCN1CCc2cc(CN[C@H](COC)C(=O)O)ccc21	1776877220	YNBNRXFALZXDCF-CYBMUJFWSA-N	278.352	1.258	10	20	CDCD	
COc1cccc(CNC(=O)[C@H]2CCCCO2)c1O	157113850	JCVDBBXIZWJCAC-GFCCVEGCSA-N	265.309	1.586	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)c1n[nH]c2c1CCC2	156578524	FDRBZOAOIKCYIC-UHFFFAOYSA-N	287.319	1.282	10	20	CDCD	
C[C@H](C[S@@](C)=O)NCc1ccc2c(c1)CCCO2	921988527	FFTPTWPPAJRYSM-ADLMAVQZSA-N	267.394	1.868	10	20	CDCD	
COC[C@H](CO)NCc1ccc2c(c1)CCCO2	922081237	KBMGVHSIFLNOKV-ZDUSSCGKSA-N	251.326	1.109	10	20	CDCD	
COC1CC(C(=O)NCCc2ccc(O)c(O)c2)C1	860234760	ITBZZTGIBZEFRV-UHFFFAOYSA-N	265.309	1.182	10	20	CDCD	
Cc1nc(CN2CCCc3cc(CN)ccc32)no1	700946478	IIWVKPDZFIQUMD-UHFFFAOYSA-N	258.325	1.790	10	20	CDCD	
CC(=O)N1CCC(C(=O)NCc2ccccc2O)CC1	701128206	PCYXDDYGOGITHP-UHFFFAOYSA-N	276.336	1.267	10	20	CDCD	
Cc1cccc(O)c1CN[C@H]1CS(=O)(=O)C[C@H]1C	895796217	JMGMDIDHXQVIRN-PWSUYJOCSA-N	269.366	1.223	10	20	CDCD	
C[C@@H](CNCc1cc([N+](=O)[O-])ccc1O)Cn1ccnc1	101595674	QCZFXHKLKMKBQM-NSHDSACASA-N	290.323	1.923	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CCCC[C@H]2C(N)=O)c1O	50147463	HDIWCQMFRYFRCB-ZDUSSCGKSA-N	294.326	1.574	10	20	CDCD	
O=[N+]([O-])c1cc(Cl)cc(CNCC(F)(F)CO)c1O	183889572	RSTCYIUTWSWSKR-UHFFFAOYSA-N	296.657	1.671	10	20	CDCD	
CC(C)[C@](C)(O)CNC(=O)/C=C/c1ccc(O)c(O)c1	181143600	NBPGPFCNRJMHFV-KEDPEKRHSA-N	279.336	1.634	10	20	CDCD	
CC(C)[C@H](CNC(=O)c1cccc(O)c1O)C(=O)O	126043795	JMRBINSBSDTDRE-VIFPVBQESA-N	267.281	1.184	10	20	CDCD	
O=C(NCc1ccc(N2CCCC2)cc1)c1cc[n+]([O-])cc1	41365467	KADCNROOGKMQTC-UHFFFAOYSA-N	297.358	1.850	10	20	CDCD	
Cc1cnn(CCC(=O)NCc2ccc(N(C)C)cc2)c1	80210894	HWIJSLBEBXDOSK-UHFFFAOYSA-N	286.379	1.964	10	20	CDCD	
O=C(NCc1ccccc1O)[C@@H](F)C(F)(F)F	290587618	OEHSTHYDUGQXRA-MRVPVSSYSA-N	251.179	1.909	10	20	CDCD	
Cc1ccc(C(=O)N[C@H]2C[C@H](O)C2(C)C)c(O)c1O	190590303	IXEQGFHEWLUUFR-UWVGGRQHSA-N	265.309	1.295	10	20	CDCD	
C[C@@]1(C(N)=O)CCN(Cc2cc(F)ccc2O)C1	235437378	HQOGSXGXQHOMQC-CYBMUJFWSA-N	252.289	1.229	10	20	CDCD	
CC(C)N(CCS(C)(=O)=O)Cc1cc(F)ccc1O	180210703	YYYOQVXXSRHBIW-UHFFFAOYSA-N	289.372	1.786	10	20	CDCD	
O=C1CCCN1[C@H]1CCN(Cc2cc(F)ccc2O)C1	276815601	OPWMEWRFLZIYOK-ZDUSSCGKSA-N	278.327	1.728	10	20	CDCD	
O=C1CCC[C@@H]1[C@H]1COCCN1Cc1ccccc1O	365277260	INIBYCNEEZERTL-ZIAGYGMSSA-N	275.348	1.962	10	20	CDCD	
CCNC(=O)[C@@H](C)N[C@H](C)c1ccc(F)c(F)c1O	276145045	CXVJVJNPRVKORC-HTQZYQBOSA-N	272.295	1.846	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)NC[C@H](C)OC)c1	276877574	FUAVZOYLWBOEGU-UWVGGRQHSA-N	267.325	1.864	10	20	CDCD	
COc1ccc(OCC(=O)C(C)=O)c(Br)c1	288280957	AVEBYNLLAODURA-UHFFFAOYSA-N	287.109	1.995	10	20	CDCD	
C[C@@H](CO)N(CC1CCC1)C(=O)c1cccc(O)c1O	280640149	CHJBODYVDKMVCW-JTQLQIEISA-N	279.336	1.721	10	20	CDCD	
CN1CCCc2cc(CNC(=O)N[C@H]3C[C@@H](O)C3)ccc21	297157215	JCWDMNJAPIPUSK-OKILXGFUSA-N	289.379	1.392	10	20	CDCD	
COC(=O)N[C@@H](CC(C)C)C(=O)NCc1ccccc1O	299548804	KUXDBFAGNLLILI-LBPRGKRZSA-N	294.351	1.779	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@H]2CCCN2C)cc1F	299467614	AUERJAHPZKKNCX-AWEZNQCLSA-N	279.359	1.602	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC2CCNCC2)c1	817934744	CAXSSYCHWGQYLX-JTQLQIEISA-N	250.342	1.803	10	20	CDCD	
C[C@@H](NC(=O)COC[C@H]1CCCO1)c1ccccc1O	827937596	ZQZUIKAWIXTMCJ-VXGBXAGGSA-N	279.336	1.765	10	20	CDCD	
COc1ccc(O)c(CN2CC[C@H]3NC(=O)CC[C@@H]3C2)c1	827131777	CFFULGLZQBHZPN-BXUZGUMPSA-N	290.363	1.501	10	20	CDCD	
Cc1ccc(C(=O)NC(C)(C)CCC(=O)O)c(O)c1O	821064059	NLQRGFWYQRCFTO-UHFFFAOYSA-N	281.308	1.779	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1C[C@]12CCNC2	829764748	WGKVJJBIMHMODO-RDJZCZTQSA-N	287.407	1.677	10	20	CDCD	
COc1cc(Cl)cc(CN2C[C@@H](O)[C@H](OC)C2)c1O	825023659	GDWLPGFIEGXCCB-ZYHUDNBSSA-N	287.743	1.246	10	20	CDCD	
CCN1CCN(C(=O)c2c(F)ccc(O)c2O)C[C@@H]1C	827311183	WPAGCIFNLPAPMJ-VIFPVBQESA-N	282.315	1.403	10	20	CDCD	
CCOc1ccc(CN(CCOC)CCC(=O)O)c(O)c1	904269644	OITZXAMFBAXYJM-UHFFFAOYSA-N	297.351	1.714	10	20	CDCD	
O=C(OCC(=O)N1CCCCC1)c1cc(O)cs1	731909626	GREMEADUJMYOLO-UHFFFAOYSA-N	269.322	1.623	10	20	CDCD	
CCCCCNC(=O)COC(=O)c1cc(O)cs1	731912212	QOQUPGFMEVCTAH-UHFFFAOYSA-N	271.338	1.917	10	20	CDCD	
CC(C)[C@](C)(O)CNC(=O)/C=C\c1ccc(O)c(O)c1	588406779	NBPGPFCNRJMHFV-ZQMJAJRESA-N	279.336	1.634	10	20	CDCD	
CC(C)OC[C@@H](C(=O)O)N(C)Cc1cc(F)ccc1O	833505645	LOVDVJDKEHEJEM-LBPRGKRZSA-N	285.315	1.841	10	20	CDCD	
Nc1ccc(CCNC(=O)Cn2nnc3c2CCCC3)cc1	911782436	JDYNZPYBFQGJCP-UHFFFAOYSA-N	299.378	1.098	10	20	CDCD	
CN(C)c1ccc([C@H](N)CNC(=O)[C@@H]2CCCS2)cc1	832267328	QORRPGMGBLQXPA-KGLIPLIRSA-N	293.436	1.764	10	20	CDCD	
O=C1CCC[C@@H]1[C@H]1COCCN1C(=O)c1cc(O)cs1	831940816	LSXFAJUJFFMTPZ-GHMZBOCLSA-N	295.360	1.664	10	20	CDCD	
CCOc1ccc(CN2CCC[C@H]2CNC)c(O)c1	843055249	HQJQMDWHGUPQML-ZDUSSCGKSA-N	264.369	1.975	10	20	CDCD	
O=C(CC1(O)CCCCC1)NCc1ccc(O)cc1O	910953384	AAPKWJRMAQYWDQ-UHFFFAOYSA-N	279.336	1.799	10	20	CDCD	
CCN1CC(=O)N[C@@H]1c1cc(Cl)c(C)cc1O	849182513	JJYBSGFLAZIZPO-LBPRGKRZSA-N	254.717	1.804	10	20	CDCD	
N[C@H]1CCC[C@@H](NCc2ccc(N3CCOCC3)cc2)C1	841055633	SYBNDDUGMIPMIX-JKSUJKDBSA-N	289.423	1.883	10	20	CDCD	
CC(C)=CCCNC(=O)C(=O)Nc1ccc(N)cc1	841114416	UYVWYUCBLZSQGJ-UHFFFAOYSA-N	261.325	1.680	10	20	CDCD	
CCc1cccc(CN2CC[C@@H]3NC(=O)OC[C@H]3C2)c1O	848908107	NSEWXAGDEZTUJR-KGLIPLIRSA-N	290.363	1.885	10	20	CDCD	
COC(=O)N(C)CCNCc1c(O)ccc(Cl)c1F	850389623	ASDAAOUOEVGRJP-UHFFFAOYSA-N	290.722	1.973	10	20	CDCD	
COC(=O)C(C)(C)CNC(=O)NCc1cc(C)ccc1O	858292472	ACPONNSMUHYBIH-UHFFFAOYSA-N	294.351	1.699	10	20	CDCD	
CC(=O)N1CC[C@@H](N[C@H](C)c2cc(F)ccc2O)C1	857084363	OKZBVGTVFCMUFD-BXKDBHETSA-N	266.316	1.803	10	20	CDCD	
C[C@H](O)C1(NC(=O)/C=C/c2ccc(O)c(O)c2)CC1	856129058	PPWDUSIQGZDAJP-SGRBOOSSSA-N	263.293	1.141	10	20	CDCD	
CN(Cc1cn(C)nn1)Cc1c(O)ccc2ccncc12	853568506	VOKPJABZZOHORC-UHFFFAOYSA-N	283.335	1.701	10	20	CDCD	
C[C@H](NC(=O)N[C@H](C)c1ccccc1O)c1ncnn1C	868531958	FDJGCWDULBDSJZ-ZJUUUORDSA-N	289.339	1.642	10	20	CDCD	
CCC(=O)N1CC[C@@H](C(=O)NCc2cc(C)ccc2O)C1	862758248	UJDDAVLGTJSUDA-GFCCVEGCSA-N	290.363	1.575	10	20	CDCD	
CO[C@@H]1CN(Cc2ccc(N(C)C)cc2)CCO1	878970197	KFPSYRUUJKDADX-AWEZNQCLSA-N	250.342	1.557	10	20	CDCD	
C[C@@H](NCC(=O)N=[S@@](C)(=O)N(C)C)c1ccccc1O	879650117	JQPNDOSDOKHMKJ-CFMSYZGJSA-N	299.396	1.144	10	20	CDCD	
CN(C(=O)[C@H]1C[C@@]12CCCNC2)c1ccc(N)cc1	877074432	KHNSPTHLGYDHNJ-UKRRQHHQSA-N	259.353	1.621	10	20	CDCD	
C[C@@H]1[C@@H](C)N(C(=O)/C=C/c2ccc(O)c(O)c2)CCN1C	779547137	IYJUXJQJLIKIPR-ONYUAGEFSA-N	290.363	1.662	10	20	CDCD	
CCOc1ccc(CN2CC[C@H]([C@@H](C)O)C2)c(O)c1	780786227	JIOMIBGGQDTUGV-NEPJUHHUSA-N	265.353	1.994	10	20	CDCD	
CCOc1cccc(CN2C[C@H](O)C[C@H]2C)c1O	788266796	BQXOGFDVNQMLQX-ZYHUDNBSSA-N	251.326	1.746	10	20	CDCD	
COc1ccc(CNCc2cc(C)nn2C)c(O)c1OC	894287752	REWDVCDAOJLEDZ-UHFFFAOYSA-N	291.351	1.741	10	20	CDCD	
CCOCCC(=O)OCC(=O)c1ccc(O)c(O)c1	783439336	DSYWKUGLFKYQCM-UHFFFAOYSA-N	268.265	1.250	10	20	CDCD	
Nc1cc(COC(=O)c2cccc(O)c2O)ccn1	792149339	GDRXXNNKMRSTIL-UHFFFAOYSA-N	260.249	1.432	10	20	CDCD	
O=C1CCC[C@H](C(=O)NCCCSc2nccs2)N1	799630382	DBVIMJZOVYCNIN-SECBINFHSA-N	299.421	1.410	10	20	CDCD	
CCOc1cccc(CNC(C)(C)C(=O)OC)c1O	37085519	VILSFUMCXMOCJF-UHFFFAOYSA-N	267.325	1.832	10	20	CDCD	
N[C@@H](CC(=O)O)c1cccc(Br)c1O	96885175	HVSGTXLTOOIBMO-ZETCQYMHSA-N	260.087	1.629	10	20	CDCD	
CN1CC2(CCN(C(=O)/C=C\c3ccc(O)c(O)c3)C2)C1	1329277542	IYEXEFGLYOTLAN-HYXAFXHYSA-N	288.347	1.275	10	20	CDCD	
O=C(N[C@@H]1CCCOCC1)c1cccc(O)c1O	193153451	RDUIVWSACFIRPX-SECBINFHSA-N	251.282	1.397	10	20	CDCD	
COc1cccc(O)c1CNCCCn1cncn1	725844905	AUCPSTFCOLCIPN-UHFFFAOYSA-N	262.313	1.172	10	20	CDCD	
Nc1ccc(CNC(=O)N[C@H]2CCN3CCC[C@H]3C2)cc1	1336225978	UWTPEXNLEGZIIE-GJZGRUSLSA-N	288.395	1.695	10	20	CDCD	
CC(=O)N1CCN(C(=O)NCc2ccc(N)cc2)[C@H](C)C1	1338793727	TVMDUULGUXNZNP-LLVKDONJSA-N	290.367	1.031	10	20	CDCD	
CCOCCS(=O)(=O)NCc1cc(C)ccc1O	1261796584	HCOWOYXLWKVQJX-UHFFFAOYSA-N	273.354	1.157	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCN[C@H](C)C2)c1	1341721159	JGJCPOROZDPZMC-GRYCIOLGSA-N	292.379	1.966	10	20	CDCD	
CCOC1CC(N(C)C(=O)NCc2ccc(N)cc2)C1	1353539929	QWNFCJOGHUDKGD-UHFFFAOYSA-N	277.368	1.978	10	20	CDCD	
C[C@@H]1CCN(Cc2cc3c(cc2O)OCO3)[C@@H](C(=O)O)C1	1604754217	TYDKSQMXMZMYRZ-MWLCHTKSSA-N	293.319	1.806	10	20	CDCD	
O=C(c1ccc(-c2nn[nH]n2)[nH]1)N1Cc2cccc(O)c2C1	1607012572	JEDCAJOIVOFCBZ-UHFFFAOYSA-N	296.290	1.056	10	20	CDCD	
C[C@@H](NCc1cccc(Cl)c1O)[C@@H]1CNCCO1	1573578686	KNWYUNIJRSASEP-SKDRFNHKSA-N	270.760	1.512	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)Nc1cncc(C(=O)O)n1	1592883149	NNMCPBKDYGXJNE-MRVPVSSYSA-N	289.291	1.629	10	20	CDCD	
COCC(=O)N[C@@H](C)[C@H](C)NCc1ccc(OC)c(C)c1	1755223177	HIDAHHQKARFLJS-STQMWFEESA-N	294.395	1.633	10	20	CDCD	
CN(C(=O)c1cc(O)cs1)C(C)(C)CC(=O)O	1598079320	WYVFEGYTAWITQP-UHFFFAOYSA-N	257.311	1.779	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)NC[C@H]1C[C@H]1C(=O)O	1598530935	ZPLDXTCVOJGKNX-GHMZBOCLSA-N	278.308	1.254	10	20	CDCD	
C[C@@H](NCc1ccc2c(c1)CCCO2)c1nncn1C	921685956	ZOLZSHNILINUJC-LLVKDONJSA-N	272.352	1.991	10	20	CDCD	
Cc1ccc(O)c(CN2CC[C@@H](OC(=O)N(C)C)C2)c1	824576530	NFHWBRGFHKKOQB-CYBMUJFWSA-N	278.352	1.973	10	20	CDCD	
CCOc1ccccc1NC[C@@H](O)CO[C@H](C)COC	233800328	CWCLTNOOSWKHNU-CHWSQXEVSA-N	283.368	1.910	10	20	CDCD	
COc1cccc(CN2CC[C@@H](C)[C@H](CN)C2)c1O	253202391	YVMHBBXRFPNAQF-DGCLKSJQSA-N	264.369	1.818	10	20	CDCD	
COC[C@H](O)CNCc1ccc(N2CCCCC2)cc1	71266233	YKEZBUIQKFKOPE-MRXNPFEDSA-N	278.396	1.774	10	20	CDCD	
CC[C@H](C)C[C@H](N)C(=O)NCc1ccccc1O	400752422	DHFCBDDCRXEHCG-JQWIXIFHSA-N	250.342	1.772	10	20	CDCD	
C[C@@H](NCCN1C(=O)CCC1=O)c1ccccc1O	405384249	IYGLFNCHMBFYCU-SNVBAGLBSA-N	262.309	1.192	10	20	CDCD	
CNC(=O)C[C@@H](C)N[C@@H](C)c1cc(F)ccc1O	322527528	OJCOQAGTHPIMIP-BDAKNGLRSA-N	254.305	1.707	10	20	CDCD	
C[C@]1(CNC(=O)c2cccc(O)c2O)CCOC1	397229286	LIUOODIBVMDABT-CYBMUJFWSA-N	251.282	1.254	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)c1ccc2[nH]nnc2c1	53914826	MFHAOEKBLMARBQ-UHFFFAOYSA-N	282.303	1.936	10	20	CDCD	
C[C@H](CO)NC(=O)NCc1ccc(N(C)C)c(F)c1	57647519	WDHCTERSLCZOKW-SECBINFHSA-N	269.320	1.072	10	20	CDCD	
CC[C@@H]1C(=O)NCCN1Cc1cc(F)cc(C(C)=O)c1O	106361393	QHAWWGNKRWLJCM-CYBMUJFWSA-N	294.326	1.444	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc(O)nc1	173194498	CCDWXSVGDDKHLX-UHFFFAOYSA-N	299.330	1.892	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2cc(C)nn2C)c1	114541966	PHFAKNKURAGGPF-UHFFFAOYSA-N	275.308	1.373	10	20	CDCD	
COCC[C@@H](CO)N[C@H](C)c1ccc(F)cc1O	305975882	ZUQSZAVGEIMCTM-KOLCDFICSA-N	257.305	1.579	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)CCCCCN	37823744	GDXIKRGWULPSEX-UHFFFAOYSA-N	250.342	1.870	10	20	CDCD	
CN(Cc1nnc[nH]1)Cc1cccc(Cl)c1O	180325127	BAVGSPWZEFIMSG-UHFFFAOYSA-N	252.705	1.796	10	20	CDCD	
Cc1cccc(CNCCN2CCOC(C)(C)C2)c1O	182196951	ZHCQOBMVOZZFIB-UHFFFAOYSA-N	278.396	1.901	10	20	CDCD	
C[C@@H](O)CN1CCN(Cc2ccc(N(C)C)cc2)[C@H](C)C1	192805193	OXPIJWPPFZOZKK-HUUCEWRRSA-N	291.439	1.640	10	20	CDCD	
O=S1(=O)CCCN(Cc2cc(F)ccc2O)CC1	226565097	VTTSIEOUDXARNC-UHFFFAOYSA-N	273.329	1.152	10	20	CDCD	
Cc1cc(C(=O)NCCO)c(C)n1-c1ccccc1	98067252	PHSLIUMHIGMWKR-UHFFFAOYSA-N	258.321	1.816	10	20	CDCD	
Cc1cc(C(=O)NC[C@@H](C)O)c(C)n1-c1ccccn1	97251060	UROXLMQLWYQQOA-LLVKDONJSA-N	273.336	1.600	10	20	CDCD	
CCC[C@@H](N)C(=O)NCc1ccc(N(C)C)c(F)c1	236965212	ZLHGPKWTVXBPOI-GFCCVEGCSA-N	267.348	1.635	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2CCCN(C)CC2)c1O	278314641	XGYGQIYAOSTDQR-UHFFFAOYSA-N	295.339	1.447	10	20	CDCD	
C[C@@H](NCc1ccc(N(C)C)c(F)c1)c1ccc(=O)[nH]n1	286121370	OCSBZRZBHGVFGI-SNVBAGLBSA-N	290.342	1.826	10	20	CDCD	
CCCOc1ccc(CN[C@@H](CF)C(=O)OC)c(O)c1	290494885	OUOIKTSDDJQSOR-LBPRGKRZSA-N	285.315	1.782	10	20	CDCD	
O=S(=O)(CC[C@H]1CCOC1)NCc1ccccc1O	293379554	GEGISNGSVRNLFA-LLVKDONJSA-N	285.365	1.238	10	20	CDCD	
COc1cc(Cl)cc(CN2CC[C@@](F)(CO)C2)c1O	802661048	FHVVVMGDHRDCMB-ZDUSSCGKSA-N	289.734	1.961	10	20	CDCD	
CCCOc1ccc(CN2CC(C(=O)NC)C2)c(O)c1	297520726	YDANNGNSJNUSRK-UHFFFAOYSA-N	278.352	1.359	10	20	CDCD	
CC(C)NC(=O)OC1CN(C(=O)c2cc(O)cs2)C1	807805701	NDDUEXAZZURYQD-UHFFFAOYSA-N	284.337	1.413	10	20	CDCD	
Cc1cc(CNC(=O)/C=C\c2ccc(O)c(O)c2)n(C)n1	803457536	NQXBGGCSSACOQT-XQRVVYSFSA-N	287.319	1.469	10	20	CDCD	
Cn1ncc2c1C[C@H](C(=O)NCCc1ccc(N)cc1)CC2	818545305	WVYACOSBSQVFFJ-CYBMUJFWSA-N	298.390	1.466	10	20	CDCD	
CCN(C)c1ccc([C@@H](C)NC[C@@H]2CNCCO2)cc1	817983744	PIYGZHZGBWMDRA-CJNGLKHVSA-N	277.412	1.782	10	20	CDCD	
CN(C)c1nc(NCc2ccc(N(C)C)c(F)c2)n[nH]1	818214789	LYLKISHCNFMZEM-UHFFFAOYSA-N	278.335	1.688	10	20	CDCD	
COCCC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	727091852	JZMVVGFZCDUBOS-CYBMUJFWSA-N	292.379	1.737	10	20	CDCD	
Cc1cc(O)c(CN2CC[C@@H](NC(N)=O)C2)cc1Cl	824943756	SESBRUVAZRNJPV-SNVBAGLBSA-N	283.759	1.597	10	20	CDCD	
CCN1C(=O)/C(=C/c2ccc(C(=O)O)[nH]2)SC1=S	829740132	DOIHFXDOCQVKNP-YVMONPNESA-N	282.346	1.934	10	20	CDCD	
C[C@@H](NC(=O)[C@H]1CC[C@H]1C(N)=O)c1ccccc1O	827946863	TYLURIXSIUFJBN-IEBDPFPHSA-N	262.309	1.081	10	20	CDCD	
O=C(c1cc(O)cs1)N1CC[C@@H](N2CCCC2)C1	732284307	ODWADEPMUYTGRQ-SNVBAGLBSA-N	266.366	1.764	10	20	CDCD	
Cc1nc([C@H]2CCN(C(=O)c3cc(O)cs3)C2)n[nH]1	839882823	XUJCGTVYSWIALV-QMMMGPOBSA-N	278.337	1.510	10	20	CDCD	
O=C(C[C@H]1CCCO1)NCc1ccc(O)cc1O	910942278	AVZWKEIXRZDNFW-LLVKDONJSA-N	251.282	1.283	10	20	CDCD	
C[C@@H](NC(=O)c1ccoc1)C(=O)NCc1ccccc1O	748346512	ZLLFBTPXQHRPPA-SNVBAGLBSA-N	288.303	1.420	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NCC2(CO)CC2)cc1F	747585696	RGHSSNZXJUJXMR-UHFFFAOYSA-N	295.358	1.463	10	20	CDCD	
CC1(CNCc2cc3c(cc2O)OCO3)CCNCC1	841058362	WFFSJSYZBWBLFH-UHFFFAOYSA-N	278.352	1.600	10	20	CDCD	
CCn1[nH]c(C)nc1=NCc1ccc(N(C)C)c(F)c1	840886915	CVMQHEVJYIKKRN-UHFFFAOYSA-N	277.347	1.846	10	20	CDCD	
CCNCC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	843484255	IZASNMRWRZMTIL-CQSZACIVSA-N	292.379	1.509	10	20	CDCD	
C[C@H]1CCCCN1C(=O)C(=O)NCCc1ccc(N)cc1	842238856	ZZKQLTHLXZYYLM-LBPRGKRZSA-N	289.379	1.329	10	20	CDCD	
CC1=C(C(=O)NCc2ccccc2O)C(=O)OC1(C)C	748568906	KJPQHKKOEQYPII-UHFFFAOYSA-N	275.304	1.660	10	20	CDCD	
CCOc1ccc(O)c(CNCCN2CCC2)c1	752108685	WCFCOWFYRBHYTG-UHFFFAOYSA-N	250.342	1.586	10	20	CDCD	
COc1ccc(N2CCCN(CN3CCC3=O)CC2)cc1	857231742	RAXXKPOLDJVYRH-UHFFFAOYSA-N	289.379	1.397	10	20	CDCD	
COc1cccc([C@H](C)N[C@@H]2CCOC[C@H]2O)c1O	858552846	VZQKEZGEVBFCSD-MVWJERBFSA-N	267.325	1.201	10	20	CDCD	
C[C@@H](CN[C@H](C)c1ccc(N(C)C)cc1)S(C)(=O)=O	697603379	HVSOZVQCFFEXRG-NWDGAFQWSA-N	284.425	1.836	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1C[C@H]2CC[C@@H](O)[C@H]2C1	924016396	IWVRTRMTDUJOTM-OXJJLDHISA-N	289.331	1.340	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)Cc1cncn1C	935949271	WXVTWRGACPPMOW-UHFFFAOYSA-N	294.351	1.470	10	20	CDCD	
Nc1ccc(NC(=O)C(=O)N2CC[C@H]3C[C@@H]3C2)cc1	850851006	LOWKCCXRXMYMFI-VHSXEESVSA-N	259.309	1.076	10	20	CDCD	
COC(=O)[C@]1(F)CCN(Cc2c(O)cccc2OC)C1	769565398	VROOOWKDWIOTEU-AWEZNQCLSA-N	283.299	1.488	10	20	CDCD	
CCOc1ccc(CN(C)CCN2CCOCC2)c(O)c1	769307792	JCEPNZRYFNAZKM-UHFFFAOYSA-N	294.395	1.555	10	20	CDCD	
Cc1cc(=O)c(C(=O)N(C)Cc2ccccc2O)cn1C	774045864	ZVWJKWGLQQPADA-UHFFFAOYSA-N	286.331	1.672	10	20	CDCD	
Cc1cccc(CN2CCN(C(=O)C3CC3)CC2)c1O	775646828	OKSYRLYQZGBZCZ-UHFFFAOYSA-N	274.364	1.755	10	20	CDCD	
Nc1ccc(Cc2noc([C@@H]3CCCS3(=O)=O)n2)cc1	1118327082	XWEMPZUIKGATOQ-NSHDSACASA-N	293.348	1.492	10	20	CDCD	
C[C@@H](NC(=O)NCCO)c1ccc(N(C)C)cc1	775551980	QAAACSTXGFOQPN-SNVBAGLBSA-N	251.330	1.105	10	20	CDCD	
Cc1cc(CNC(=O)/C=C/c2ccc(O)c(O)c2)n[nH]1	779519425	DFLAFDFUDMHRIA-HWKANZROSA-N	273.292	1.459	10	20	CDCD	
C[C@H]1CCNC(=O)[C@@H]1NCc1cc(F)cc(F)c1O	883111953	UTEOEVOQPWCEBB-WRWORJQWSA-N	270.279	1.285	10	20	CDCD	
O=C(NCc1ccc[nH]1)c1c(F)ccc(O)c1O	789985265	BZOJYAKFPUQLHZ-UHFFFAOYSA-N	250.229	1.495	10	20	CDCD	
COc1ccc(CN2CC[C@H](CO)C2)c(O)c1OC	891867276	DIIMQECRASHZOP-JTQLQIEISA-N	267.325	1.224	10	20	CDCD	
Cc1cc(NC(=O)c2ccc(C)c(O)c2O)c(=O)n(C)c1	780983772	PVQGOOXMPNPRCR-UHFFFAOYSA-N	288.303	1.666	10	20	CDCD	
C[C@@H]1[C@@H](C)N(Cc2cc(F)ccc2O)[C@H](C)C(=O)N1C	895919379	FSFUWYKTAJSBGN-GMTAPVOTSA-N	280.343	1.971	10	20	CDCD	
CC[C@@H](C[C@H](C)CO)NC(=O)c1ccc(C)c(O)c1O	780982896	ISOZAXAPWZUTFJ-ONGXEEELSA-N	281.352	1.933	10	20	CDCD	
O=C1CN(Cc2ccc(N3CCCC3)cc2)CCCN1	1204326555	ZZXRLZNTHCVTNA-UHFFFAOYSA-N	273.380	1.609	10	20	CDCD	
Cc1ccc(O)c(CN2[C@H](C)C(=O)N[C@H](C)[C@H]2C)c1	895118074	ZDFHWBWIELYTMI-IJLUTSLNSA-N	262.353	1.798	10	20	CDCD	
Cc1noc([C@@H](C)NC(=O)c2cccc(O)c2O)n1	790597824	GKWLTQACISQCKR-ZCFIWIBFSA-N	263.253	1.280	10	20	CDCD	
CCNC[C@H]1C[C@H](NC(=O)c2cc(OC)nc(OC)c2)C1	984205821	CXBVEIXLIGSRQU-UMSPYCQHSA-N	293.367	1.217	10	20	CDCD	
O=C(O)CN(Cc1ccccc1O)C1CCOCC1	1339150415	CJMOJWZDAIQQMF-UHFFFAOYSA-N	265.309	1.458	10	20	CDCD	
CN1CC[C@@H](N(C)Cc2ccc(N3CCCC3)cc2)C1=O	1324388020	BRMGHDHLZCAWDC-MRXNPFEDSA-N	287.407	1.949	10	20	CDCD	
CC1CCN(CCNC(=O)c2cccc(O)c2O)CC1	186935709	PFRIWQCULOGYMQ-UHFFFAOYSA-N	278.352	1.560	10	20	CDCD	
CCn1cc(CCOC(=O)c2cccc(O)c2O)cn1	1333928028	VVPFQJXBPGCOSW-UHFFFAOYSA-N	276.292	1.714	10	20	CDCD	
CN1C(=O)CC[C@@H]1C(=O)Nc1c(Cl)ccc2nonc12	1334758559	UVGQHLCFODPXDG-MRVPVSSYSA-N	294.698	1.436	10	20	CDCD	
CCOc1ccc(CNCC[C@@H](C)NC)c(O)c1	1261370602	NZILNRGMWUWUSQ-LLVKDONJSA-N	252.358	1.879	10	20	CDCD	
CCn1cc(CC(=O)NCc2cccc(O)c2O)cn1	1347542410	LZCONBOWXCAKBM-UHFFFAOYSA-N	275.308	1.173	10	20	CDCD	
O=C(O)c1cnc(SCCn2cncn2)s1	1608979413	ZNWRENLXRFBLIP-UHFFFAOYSA-N	256.312	1.225	10	20	CDCD	
Cc1cccc(O)c1CN1CCO[C@@H](CC(=O)O)C1	1600543434	WKQDDHUVPSUVAX-NSHDSACASA-N	265.309	1.376	10	20	CDCD	
CN(C)C(=O)OCCN(C)c1ccc(OCC(=O)O)cc1	1606002468	GNMLITYQFOYYLZ-UHFFFAOYSA-N	296.323	1.284	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)[C@H]1CCC[C@@H](C(=O)O)C1	1610741391	UWRZWITYPQOPQD-WDEREUQCSA-N	293.319	1.605	10	20	CDCD	
CC[C@@](C)(NC(=O)Cc1ccc(O)c(O)c1)c1cnn[nH]1	1576189255	AETUCYLKTOUQOA-CQSZACIVSA-N	290.323	1.200	10	20	CDCD	
CN1CC[C@@H](COc2ccc(N(C)C)c(C(=O)O)c2)C1=O	1598583464	HQKGULGCIXNBER-JTQLQIEISA-N	292.335	1.308	10	20	CDCD	
COc1cccc(CNc2ncncc2C(=O)O)c1O	1599675804	ZEOKWWYAHCWVNO-UHFFFAOYSA-N	275.264	1.501	10	20	CDCD	
CC[C@H](CCO)N[C@@H](C)c1cccc(-c2nn[nH]n2)c1O	1590439965	VCCGFEISZXWQIZ-VHSXEESVSA-N	291.355	1.384	10	20	CDCD	
CN1CCN(Cc2ccc(N(C)C)cc2)C[C@@H](C(=O)O)C1	1598620076	YCXWQWRUFJTNQQ-AWEZNQCLSA-N	291.395	1.201	10	20	CDCD	
COC[C@@](C)(NCc1cc(F)cc(C(C)=O)c1O)C(=O)O	1599153952	ONRHKAGFFLUUBZ-CQSZACIVSA-N	299.298	1.313	10	20	CDCD	
CN(C)c1ccc(CNC[C@@H]2C[C@H](CC(=O)O)CO2)cc1	1777040303	YTSPHSBDUCSWBC-HIFRSBDPSA-N	292.379	1.722	10	20	CDCD	
CC(C)NCCC(=O)NCc1ccc(N(C)C)c(F)c1	166458488	SZUYBWHAFGDYEQ-UHFFFAOYSA-N	281.375	1.896	10	20	CDCD	
COC[C@H](O)CN[C@@H]1C[C@@H](C)c2c(C)ccc(O)c21	227134716	RFABNIUYMMAQQK-IJLUTSLNSA-N	265.353	1.846	10	20	CDCD	
CCOc1cccc(CNC[C@]2(OC)CCOC2)c1O	122985012	YFNXKDJFUOUDQI-OAHLLOKOSA-N	281.352	1.686	10	20	CDCD	
c1ncc(NCc2ccc(N3CCOCC3)cc2)cn1	232087275	CZSCAQXRYJGXRI-UHFFFAOYSA-N	270.336	1.925	10	20	CDCD	
CC(C)OC(=O)CNC(=O)Nc1ccc(N)cc1	312725891	RUXKYDQJQPQHCM-UHFFFAOYSA-N	251.286	1.342	10	20	CDCD	
CCOCC(=O)NCc1ccc(N2CCCC2)cc1	75654562	BOXCCYAXSWQBFC-UHFFFAOYSA-N	262.353	1.940	10	20	CDCD	
CN(CCN1CCOCC1)Cc1c(O)cccc1Cl	130724687	HXUZGPURNXZBJL-UHFFFAOYSA-N	284.787	1.810	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1CCCOCC1	181319543	COASPXCOLBLDPQ-FVOPLDGLSA-N	277.320	1.796	10	20	CDCD	
CCN(CC)CC(=O)NCc1ccc(O)c(O)c1	130165036	PWEUWKUQMUKNFY-UHFFFAOYSA-N	252.314	1.056	10	20	CDCD	
CC(C)COC[C@@H](O)CNCc1ccccc1O	134227416	ZNEFHCICFLLDHB-ZDUSSCGKSA-N	253.342	1.515	10	20	CDCD	
CCCN1CCC[C@H]1C(=O)NCCc1ccc(N)cc1	236766076	DVLVAIFMQGHLPS-HNNXBMFYSA-N	275.396	1.802	10	20	CDCD	
Cc1ccc(O)c(CNCC(C)(C)S(C)(=O)=O)c1	93523391	OYRNQKCOSJGBKA-UHFFFAOYSA-N	271.382	1.613	10	20	CDCD	
O=C1C[C@H](NCc2c(O)cccc2Cl)CN1C1CC1	267751973	MNCZZNIFBUPZGU-VIFPVBQESA-N	280.755	1.899	10	20	CDCD	
CC(C)C[C@@H](CO)NC(=O)NCc1ccc(N(C)C)cc1	265297621	FJOUWYMEVOPXLZ-AWEZNQCLSA-N	293.411	1.959	10	20	CDCD	
CN(Cc1ccc(N(C)C)c(F)c1)CC1(O)CCOCC1	276014266	QHVZIVKKNOAPLW-UHFFFAOYSA-N	296.386	1.865	10	20	CDCD	
C[C@@H]1CN(C(=O)c2cccc(O)c2O)C[C@H](C2CC2)O1	280092170	QVGFISPQMCZELC-NOZJJQNGSA-N	277.320	1.737	10	20	CDCD	
CCN(Cc1cc(F)cc(C(C)=O)c1O)[C@H]1CCNC1=O	282224188	FDZLTLCAIYJTLU-ZDUSSCGKSA-N	294.326	1.444	10	20	CDCD	
CC[C@@H](N[C@H]1COC[C@@H]1OC)c1ccc(F)cc1O	290196448	OSSCASZWZHJRFG-DYEKYZERSA-N	269.316	1.986	10	20	CDCD	
COc1nccc(CN(C)c2ccc3c(c2)OCO3)n1	295529519	WMRWFPDKECKDHF-UHFFFAOYSA-N	273.292	1.850	10	20	CDCD	
CC(=O)C1(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)CC1	293605417	YFUUJNWTTIMYDZ-VIFPVBQESA-N	277.320	1.514	10	20	CDCD	
CO[C@@H](C(=O)NCCc1ccc(N)cc1)c1cnn(C)c1	818544702	IBOLBDJJPIPBTG-CQSZACIVSA-N	288.351	1.049	10	20	CDCD	
CC[C@@H](NC[C@H]1CNCCO1)c1ccc(C)cc1O	817982027	AYYXMGCPRCECNB-TZMCWYRMSA-N	264.369	1.730	10	20	CDCD	
C[C@H]1CN(Cc2cc(Cl)cc(F)c2O)CC(=O)N1	824908611	AAMPIMGXWWIOEM-ZETCQYMHSA-N	272.707	1.505	10	20	CDCD	
Cc1cc(O)c(CN2CCn3cnnc3C2)cc1Cl	824749715	UUCUFVMOQJSNOP-UHFFFAOYSA-N	278.743	1.961	10	20	CDCD	
CCOC(=O)[C@H]1CSCN1C(=O)c1cc(O)cs1	907902843	VAFZQQAFRZQDCI-MRVPVSSYSA-N	287.362	1.532	10	20	CDCD	
CCN(C)c1ccc(CN2CCOC[C@@H]2CC(N)=O)cc1	832750975	JHTUVPKHJPHHPQ-HNNXBMFYSA-N	291.395	1.219	10	20	CDCD	
COc1cccc(CNC(=O)[C@H]2CCCCN2C)c1O	732284101	HWVQVIAOMCZGCZ-GFCCVEGCSA-N	278.352	1.501	10	20	CDCD	
COC[C@H](C)CN(C)c1ccc(OCC(=O)O)cc1	902017883	YPHOESBHEDPXTA-LLVKDONJSA-N	267.325	1.869	10	20	CDCD	
O=C(C[C@H]1CCCC[C@@H]1O)NCc1ccc(O)cc1O	910946997	YOGFBWQWVKMSTL-MFKMUULPSA-N	279.336	1.655	10	20	CDCD	
C[C@@H]1C[C@H](NC(=O)c2c(F)ccc(O)c2O)CS1	839829818	KIZCZQOTBXSXCF-RQJHMYQMSA-N	271.313	1.861	10	20	CDCD	
CCOc1ccc(CN[C@H](CCN)C(F)F)c(O)c1	841073256	GEQPUHDAKBCHBS-LLVKDONJSA-N	274.311	1.863	10	20	CDCD	
CCOc1ccc(CN[C@H](CN)C2CC2)c(O)c1	841029202	VWCPQUXPTRDPDP-CYBMUJFWSA-N	250.342	1.618	10	20	CDCD	
Cc1nc(NC(=O)NCc2cc(Cl)ccc2O)nn1C	844669271	GWGCCYNRWPQWPZ-UHFFFAOYSA-N	295.730	1.804	10	20	CDCD	
CNCCCNC(=O)NCCCSc1nccs1	841858390	YFKNPCPMOUHYAK-UHFFFAOYSA-N	288.442	1.534	10	20	CDCD	
CCc1cccc(CN[C@H](C)[C@H]2CN(C)CCO2)c1O	848900264	ZOKGRALUFQSNRF-IUODEOHRSA-N	278.396	1.763	10	20	CDCD	
Fc1cc(CN[C@H]2CCCNC2)ccc1N1CCOCC1	841042274	IITCECWHVKHCIE-AWEZNQCLSA-N	293.386	1.504	10	20	CDCD	
CN1CCN(c2ccc(CN[C@@H]3CCC[C@H]3N)cc2)CC1	925764473	ZNFAARXDTQVPPZ-IAGOWNOFSA-N	288.439	1.408	10	20	CDCD	
Nc1ccc(NC(=O)C(=O)NCC23CCC(CC2)C3)cc1	841075333	OLNXFXRJBFNPJP-UHFFFAOYSA-N	287.363	1.904	10	20	CDCD	
CO[C@@H]1C[C@@H](NC(=O)c2cc(O)cs2)C1(C)C	753341866	NJCXMJQFJVLLMS-NXEZZACHSA-N	255.339	1.997	10	20	CDCD	
CC[C@@H](N)C(=O)NCc1ccc(N2CCC(O)CC2)cc1	852869080	UCWQOMUAXSHDIZ-OAHLLOKOSA-N	291.395	1.001	10	20	CDCD	
COc1cccc(CN2C[C@H]3CCC[C@]3(N)C2)c1O	857226769	ZACXCPIBEHGVTH-DOMZBBRYSA-N	262.353	1.714	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@H]2C[C@H]2c2cncn2C)cc1	854270193	GVRXLZLCPVBMDI-HUUCEWRRSA-N	298.390	1.906	10	20	CDCD	
CC[C@H](OC(=O)c1cccc(O)c1O)C(=O)OC	758571060	BUYASPHCMGGIQX-VIFPVBQESA-N	254.238	1.206	10	20	CDCD	
CNS(=O)(=O)CCCN[C@@H](C)c1ccc(F)cc1O	866457326	MKRSHJSQAHOMDH-VIFPVBQESA-N	290.360	1.121	10	20	CDCD	
CN(C)c1ccc(CN2[C@H]3CC[C@H]2CC(=O)NC3)cc1	769492424	JXDWGJWSYTUKDZ-GJZGRUSLSA-N	273.380	1.606	10	20	CDCD	
COc1cccc(O)c1CN1CCC[C@H]([C@H](C)O)C1	768519561	QXBRVPPHGBBUSX-RYUDHWBXSA-N	265.353	1.994	10	20	CDCD	
Cc1cccc(CN2CCN(C[C@@H]3CCCO3)CC2)c1O	775645527	AXOXXRXBESCECY-INIZCTEOSA-N	290.407	1.997	10	20	CDCD	
CCN(C)c1ccc(CN2C[C@@H]3CNC[C@H]3C2)cc1	773748075	WBBRZUTWQRLJCT-GJZGRUSLSA-N	259.397	1.794	10	20	CDCD	
CCn1ccc(CC(=O)NCc2cccc(O)c2O)n1	1123889521	OSCTXUARLIWVSR-UHFFFAOYSA-N	275.308	1.173	10	20	CDCD	
C[C@H](N[C@@H]1CCCN(C)C1=O)c1c(O)cccc1F	886536726	NTFGLXDKZKTBGF-GXSJLCMTSA-N	266.316	1.803	10	20	CDCD	
CNC(=O)CCCC(=O)N[C@H](C)c1cc(OC)ccc1O	780934782	BFCQMCCUSZTKIE-SNVBAGLBSA-N	294.351	1.494	10	20	CDCD	
OC[C@H]1CSCCN1Cc1cc(F)cc(F)c1O	895470590	LXMSWIRSDFKLNS-JTQLQIEISA-N	275.320	1.580	10	20	CDCD	
CNC(=O)[C@H](C)CN(C)Cc1cc(C)cc(OC)c1O	894083511	FNFHPMVIFSYUFE-LLVKDONJSA-N	280.368	1.523	10	20	CDCD	
CNC(=O)CCN(C)Cc1ccc(N2CCCC2)cc1	1204327039	MAZHDTNQASSRNL-UHFFFAOYSA-N	275.396	1.855	10	20	CDCD	
COC(=O)N1CC(NCc2c(O)ccc(Cl)c2F)C1	790978138	YZZTTWIYKKZUHI-UHFFFAOYSA-N	288.706	1.725	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCS[C@@H]2COCC[C@@H]21	275078665	DBRSQXKEYPQYFC-CMPLNLGQSA-N	295.360	1.444	10	20	CDCD	
C[C@H](NCCCOCCO)c1cc(F)ccc1O	186514590	HPQLQOURCLZFLW-JTQLQIEISA-N	257.305	1.581	10	20	CDCD	
CN(C)c1ccc(CN2C[C@@H]3C[C@]3(C(=O)O)C2)cc1	693270183	YUCKBYUXIFSZIC-WFASDCNBSA-N	260.337	1.659	10	20	CDCD	
OC[C@@H](CNCc1ccccc1O)CC1CCOCC1	1326560102	CKMGGVHTNYAFDS-CQSZACIVSA-N	279.380	1.907	10	20	CDCD	
COCC[C@H]1COCCN1C(=O)NCc1ccc(N)cc1	1262603360	GGCMSWBRNFASHI-AWEZNQCLSA-N	293.367	1.216	10	20	CDCD	
Oc1cccc2c1CN(c1ncc(-c3nn[nH]n3)cc1F)C2	1593540207	RPTQCADPVMGKCI-UHFFFAOYSA-N	298.281	1.627	10	20	CDCD	
CO[C@]1(CNCc2ccc(N(C)C)cc2)C[C@H](C(=O)O)C1	1777249760	VLPXVBADVINYHK-AKAXFMLLSA-N	292.379	1.722	10	20	CDCD	
COc1ccc(O)c([C@@H](C)N[C@H]2CCOC2=O)c1	19876494	WROHYFKAAHXSCZ-KCJUWKMLSA-N	251.282	1.367	10	20	CDCD	
COc1ccc(O)c([C@@H](C)N[C@@H](C)CC(N)=O)c1	168828990	GVEGHMYVEIYNDE-DTWKUNHWSA-N	252.314	1.315	10	20	CDCD	
CCn1cc(CNCc2cc(OC)ccc2O)cn1	114506047	RTZJTRRQDDKUED-UHFFFAOYSA-N	261.325	1.907	10	20	CDCD	
CC(C)(C)C(=O)NCCC(=O)NCc1ccccc1O	269107692	BGGMBRVTZMCOCG-UHFFFAOYSA-N	278.352	1.561	10	20	CDCD	
C[C@@H](CCCCO)NC(=O)c1cccc(O)c1O	295850298	SESMDVDQNQRBNO-VIFPVBQESA-N	253.298	1.379	10	20	CDCD	
CCN(C)C(=O)[C@H](C)NCc1ccc2c(c1)CCO2	188469916	GRICZDFKISZAKV-NSHDSACASA-N	262.353	1.578	10	20	CDCD	
CCc1cccc(CNCC(=O)NC(C)C)c1O	691482034	IZWFBTFWJQDIAW-UHFFFAOYSA-N	250.342	1.569	10	20	CDCD	
CCN1C[C@@H](N[C@H](C)c2ccc(C)cc2O)CC1=O	391500079	VOBKOFQJNVINMV-NEPJUHHUSA-N	262.353	1.972	10	20	CDCD	
C[C@@H](NCc1cn(C)nn1)c1ccc(N(C)C)cc1	389827128	SOEMDDBZCSYCGB-LLVKDONJSA-N	259.357	1.732	10	20	CDCD	
CN(C)C(=O)[C@H]1CCCN1Cc1cccc(F)c1O	272267442	KVBIPEUHYPQHDQ-GFCCVEGCSA-N	266.316	1.584	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)CCn2cncn2)c1	103530114	PCHMDIDSRWCFBJ-JTQLQIEISA-N	290.323	1.260	10	20	CDCD	
CC(C)(C)C(=O)CNC(=O)/C=C/c1ccc(O)c(O)c1	181272486	KXFRCFJENRMGHO-FNORWQNLSA-N	277.320	1.842	10	20	CDCD	
CSC[C@H](O)CN1CCOc2cc(N(C)C)ccc21	188166835	GEMCIDMXAKUVOK-GFCCVEGCSA-N	282.409	1.675	10	20	CDCD	
CO[C@@H](C)C(=O)NCc1c(O)ccc2c1CCCC2	75159626	ZHSGWVXBEOQMSB-JTQLQIEISA-N	263.337	1.922	10	20	CDCD	
COc1cc(Cl)cc(CN[C@@H]2C(=O)NCC[C@H]2C)c1O	195008185	RBTOWCASOPMXHD-PELKAZGASA-N	298.770	1.668	10	20	CDCD	
Cc1nccn1CCCC(=O)NCCc1ccc(N)cc1	237621563	HANPKVOCZMIPCN-UHFFFAOYSA-N	286.379	1.913	10	20	CDCD	
CCOC(=O)C[C@@H](C)CNC(=O)c1ccc(C)c(O)c1O	273059158	XWBUDVQRYRZPAR-SECBINFHSA-N	295.335	1.725	10	20	CDCD	
CO[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1	272594447	GIZIZIXNAFVILX-TZNOJPMFSA-N	263.293	1.358	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1SCCS1	274894316	DMJRTMMRMFIPAX-MRVPVSSYSA-N	299.417	1.951	10	20	CDCD	
Cc1cccc(CN2CC(=O)N(CC3CC3)C2)c1O	279170111	BSLNAFXGVAWYRX-UHFFFAOYSA-N	260.337	1.712	10	20	CDCD	
CCOc1cccc(CN[C@H](C(=O)OC)C2CC2)c1O	276441693	ITLSBTGSPARSOL-ZDUSSCGKSA-N	279.336	1.832	10	20	CDCD	
COCCN1CC[C@@H](N[C@@H](C)c2cc(OC)ccc2O)C1	273584273	NIGJHMANOVRCLA-QWHCGFSZSA-N	294.395	1.772	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)CCCCO	631563371	SNFIIAMFHBSCDD-UHFFFAOYSA-N	278.352	1.641	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@](C)(O)C2CC2)c1	804460209	IMEYJAUNCCBLGQ-BJOHPYRUSA-N	279.336	1.739	10	20	CDCD	
CCOCc1cc(CN[C@@H](C)C(=O)NC)ccc1OC	291756683	QVXITXFRBYANGF-NSHDSACASA-N	280.368	1.456	10	20	CDCD	
CN(CCOCCO)Cc1cc(Cl)cc(F)c1O	800545271	LLWARJUSPONREC-UHFFFAOYSA-N	277.723	1.625	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)COCc1cccnc1	806499998	PMKUSSUYSCMELQ-UHFFFAOYSA-N	286.331	1.962	10	20	CDCD	
COC[C@H](C)[C@H](C)C(=O)NCc1cccc(OC)c1O	812496051	XBHFPBNABZZYOJ-QWRGUYRKSA-N	281.352	1.936	10	20	CDCD	
N[C@H](C(=O)NCCCSc1nccs1)C1CCC1	817939756	BSBCNNLYNITEGY-JTQLQIEISA-N	285.438	1.869	10	20	CDCD	
CCN(C)c1ccc(CN2CC[C@H](S(C)(=O)=O)C2)cc1	815110069	RAUSTDVCVZTDNP-HNNXBMFYSA-N	296.436	1.762	10	20	CDCD	
CN(C[C@H]1CCCOC1)C(=O)c1c(F)ccc(O)c1O	825764340	JKVSSJXPFQJOLG-SECBINFHSA-N	283.299	1.736	10	20	CDCD	
O=C(NCCCSc1nccs1)c1ncc[nH]1	827474679	JEMDZTDXZIEQKE-UHFFFAOYSA-N	268.367	1.778	10	20	CDCD	
O=C(O)[C@@H]1CCN(Cc2ccc(N3CCOCC3)cc2)C1	821511634	NCNOSKUCCBKGBH-CQSZACIVSA-N	290.363	1.430	10	20	CDCD	
COC[C@@H](C)NC(=S)NCc1cc(OC)ccc1O	733907799	ZZSIVWMFXAXHCD-SECBINFHSA-N	284.381	1.400	10	20	CDCD	
O=C(c1cccc2c1CCNC2)N1CCc2ccncc21	662809001	XRRAXGCQPJZKBD-UHFFFAOYSA-N	279.343	1.930	10	20	CDCD	
CC(C)C[C@H]1C(=O)NCCN1C(=O)c1cc(O)cs1	831885193	XBVXOKWMFBYECJ-JTQLQIEISA-N	282.365	1.440	10	20	CDCD	
COC(=O)NCCC(=O)NCc1ccc(N(C)C)cc1	730741935	YPKMBMCSPFSYFI-UHFFFAOYSA-N	279.340	1.115	10	20	CDCD	
C[C@@H](NC[C@@]1(C)CCC(=O)N1)c1cc([N+](=O)[O-])ccc1O	834910753	ZCIUAZKIMQGCGI-YMTOWFKASA-N	293.323	1.620	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)[C@H]1C[C@H]2CC(=O)[C@@H]1C2	837479463	BQDJLHMQGKCQSS-TUAOUCFPSA-N	289.331	1.372	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N[C@H](CO)c1ccccc1	588407352	WGSVDKVRTFJWTE-IUCKJTJTSA-N	299.326	1.961	10	20	CDCD	
C/C(=C\C(=O)N1CCOc2c1c(C)nn2C)c1cnccn1	839301208	DLLZIHVGGGRZAI-CSKARUKUSA-N	299.334	1.347	10	20	CDCD	
Cc1ncccc1C(=O)NC[C@H](N)c1ccc(N(C)C)cc1	832274554	VPSMDFNLOHARHC-INIZCTEOSA-N	298.390	1.886	10	20	CDCD	
C[C@@H](NCc1cc2c(cc1O)OCO2)[C@@H](O)C(F)(F)F	865712219	YBMXLDKPVOVWLL-KSBSHMNSSA-N	293.241	1.522	10	20	CDCD	
CC1=NO[C@H](C(=O)NC[C@H](N)c2ccc(N(C)C)cc2)C1	911668201	WDLYIYFAIOIHOF-KBPBESRZSA-N	290.367	1.033	10	20	CDCD	
COc1cccc([C@H](C)NCCN2CCC(O)CC2)c1O	846168854	MRWCMUUKLXVWRL-LBPRGKRZSA-N	294.395	1.508	10	20	CDCD	
CC(C)CONC(=O)NCCc1ccc(N)cc1	841864830	YUFMUXLLBZIKJU-UHFFFAOYSA-N	251.330	1.698	10	20	CDCD	
CCC(CC)(CO)C(=O)NCc1ccccc1O	847589541	IYYJAMVJKCVUEA-UHFFFAOYSA-N	251.326	1.807	10	20	CDCD	
CCc1cccc(CN[C@@H]2CCc3c(nnn3C)C2)c1O	848926788	ZRALEEZZWPHZOF-CYBMUJFWSA-N	286.379	1.730	10	20	CDCD	
CCc1cccc(CN[C@]2(CC(=O)OC)CCOC2)c1O	848902673	GFWQZHPPPISCMZ-INIZCTEOSA-N	293.363	1.766	10	20	CDCD	
COc1cc(O)c(CN[C@H]2CCCNCC2)cc1OC	841056588	ADIPRXADSIRLNN-LBPRGKRZSA-N	280.368	1.641	10	20	CDCD	
Nc1ccc(CC(=O)N2CCC[C@@H]([C@@H]3CCNC3)C2)cc1	841855310	DHSBEEKQDSMZTH-HUUCEWRRSA-N	287.407	1.659	10	20	CDCD	
CCN(C)C[C@@H]1CCN(C(=O)c2cc(O)cs2)C1	748373446	TWVWYUVDNSDIMV-JTQLQIEISA-N	268.382	1.868	10	20	CDCD	
C[C@H](O)[C@@H](C)NCc1ccc(N2CCC(O)CC2)cc1	853121176	AYHQVUNDQLCPPN-OLZOCXBDSA-N	278.396	1.507	10	20	CDCD	
Cc1ccc(O)c([C@H](C)NCC(=O)N2CCN(C)CC2)c1	756490225	MJUKKJRCWKYFPQ-ZDUSSCGKSA-N	291.395	1.125	10	20	CDCD	
CCN(C)c1ccc([C@H](C)NC[C@@]2(O)CCN(C)C2)cc1	762790202	YJJWXLFGLTYPOQ-YOEHRIQHSA-N	291.439	1.860	10	20	CDCD	
CN1CCN(c2ccc(CN3C[C@@H]4C[C@H]4C3)cc2)CC1	862443030	KROQZTGOKZPWNU-HOTGVXAUSA-N	271.408	1.890	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN[C@@H]1CCS(=O)(=O)[C@@H]1C	862512387	SVTBIRLYIMPZOU-IUODEOHRSA-N	296.436	1.726	10	20	CDCD	
Cc1nnc(CNCc2cc(F)c(N(C)C)cc2F)n1C	1118798650	FXWPVYBDPQVVGF-UHFFFAOYSA-N	295.337	1.758	10	20	CDCD	
CC[C@@H](NC(C)=O)C(=O)NCc1ccc(N(C)C)c(F)c1	865051286	IVIDRNMPSNHPKJ-CYBMUJFWSA-N	295.358	1.423	10	20	CDCD	
COc1ccc(O)c(CNC(=O)NCCC(C)(C)O)c1	776142891	BXRNUETXIXADRE-UHFFFAOYSA-N	282.340	1.361	10	20	CDCD	
COc1ccc(O)c(CN[C@H]2C[C@@H](C(=O)O)C2)c1	874046269	SLQVEJNJYSYTJV-WAAGHKOSSA-N	251.282	1.354	10	20	CDCD	
COc1cc(C)cc(CNC2(CO)CCOCC2)c1O	1119445710	ORFNKQQSRQIVLP-UHFFFAOYSA-N	281.352	1.340	10	20	CDCD	
CCCN(Cc1ccccc1O)c1nccn2nnnc12	770468887	LIMYSYFPFXNRSA-UHFFFAOYSA-N	284.323	1.642	10	20	CDCD	
CCN1CCC(NC(=O)NCc2ccc(N)cc2)CC1	1120568407	UIJRLJBJYJPQGZ-UHFFFAOYSA-N	276.384	1.552	10	20	CDCD	
CN1CCN(c2ccc(CNC3(C(=O)O)CC3)cc2)CC1	789896949	BDQMEDIHSSGTIW-UHFFFAOYSA-N	289.379	1.145	10	20	CDCD	
C[C@H]1CN(CCNCc2cc(F)cc(F)c2O)CCO1	882984367	FVJZXIFUUHUHPH-JTQLQIEISA-N	286.322	1.481	10	20	CDCD	
O=C(NCc1cccc(O)c1O)c1cnc2n1CCC2	1123978230	RPXNQBXFDSEUCE-UHFFFAOYSA-N	273.292	1.171	10	20	CDCD	
Oc1c(F)cc(Br)cc1CN[C@H]1C[C@@H](O)C1	883139307	IQPAMMJZIYEMJV-DTORHVGOSA-N	290.132	1.907	10	20	CDCD	
COc1ccc(CN2CC[C@@H](O)[C@@H](C)C2)c(O)c1OC	893712252	QOSRSVFXYZHLQX-CMPLNLGQSA-N	281.352	1.612	10	20	CDCD	
COCC[C@@](C)(O)CNCc1cc(C)cc(OC)c1O	894259052	PYUBWQZFXQYAAY-OAHLLOKOSA-N	283.368	1.586	10	20	CDCD	
COc1ccc(CNCCSC)c(O)c1OC	892437941	WBMTWKYXPMXNGS-UHFFFAOYSA-N	257.355	1.862	10	20	CDCD	
COC(=O)[C@H](C)NCc1c(O)ccc(Cl)c1F	793187604	VJGDQICNJYKOPD-LURJTMIESA-N	261.680	1.836	10	20	CDCD	
CO[C@@H](C)CN(C)Cc1cc2c(cc1O)OC[C@H]2O	795748615	DAKNYLGHUHZPMR-TVQRCGJNSA-N	267.325	1.285	10	20	CDCD	
COC[C@H](CO)N[C@@H]1C[C@@H](C)c2c(F)ccc(O)c21	794833461	DSCRKWDPZLRXQX-WCABBAIRSA-N	269.316	1.677	10	20	CDCD	
CNC[C@H](C)N[C@@H](C)c1cc(C(=O)O)ccc1O	1598665808	CFABVDUILUUYDH-IUCAKERBSA-N	252.314	1.349	10	20	CDCD	
CN(CCc1ccccn1)C(=O)Cc1ccc(N)cc1	19844050	ZAYYSBUSSOKQLR-UHFFFAOYSA-N	269.348	1.907	10	20	CDCD	
COCC[C@@](C)(O)CNCc1c(O)cccc1OC	734847048	ZWQGJKWFUQBOJT-CQSZACIVSA-N	269.341	1.278	10	20	CDCD	
O=C(Cc1c[nH]c2cnccc12)NCc1ccc(O)c(O)c1	1324308011	FIDBMFRVSOKWSE-UHFFFAOYSA-N	297.314	1.833	10	20	CDCD	
C[C@@H](NC(=O)C(=O)N(C)Cc1ccccc1O)C1CCC1	1346405106	RMVRYKGRUQGXCQ-LLVKDONJSA-N	290.363	1.655	10	20	CDCD	
CNC(=O)[C@@]1(C)CCN(Cc2c(O)cccc2OC)C1	797605720	VWCFGJKKWZOKFP-HNNXBMFYSA-N	278.352	1.359	10	20	CDCD	
CCOc1ccc(CNC[C@@H](C)CNC)c(O)c1	1261370519	LSRYPUOCYQNCJE-NSHDSACASA-N	252.358	1.736	10	20	CDCD	
CC[C@@H]1CC[C@H](C(=O)NCc2cccc(O)c2O)O1	1347543247	ZBZXBCLDXVXPFK-ZYHUDNBSSA-N	265.309	1.672	10	20	CDCD	
C[C@@H]1CCN(C(=O)NCc2ccc(N)cc2)C[C@H]1CN	1346739307	PNAAPYQCPLXCQP-DGCLKSJQSA-N	276.384	1.395	10	20	CDCD	
C[C@@H](CC(=O)O)CC(=O)N1Cc2cccc(O)c2C1	1604105132	NJPAYTKSUKMRRK-SECBINFHSA-N	263.293	1.735	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN(CC(=O)O)C2CC2)c1O	1599344238	FSWQOUNNBDKGDI-UHFFFAOYSA-N	296.279	1.358	10	20	CDCD	
COc1ccc(CNCCSCC(=O)O)cc1C	1777363859	XVBINWZEZJMOEG-UHFFFAOYSA-N	269.366	1.911	10	20	CDCD	
COc1ccc(O)c([C@H](C)NCc2ccn(C)n2)c1	213218270	UFJUQLRDKWWXSQ-JTQLQIEISA-N	261.325	1.985	10	20	CDCD	
C[C@@H](NCc1cc(F)ccc1O)c1nnc2n1CCC2	230935622	AUTKSXBFKQDBAZ-SECBINFHSA-N	276.315	1.920	10	20	CDCD	
C[S@@](=O)C1(CNCc2cc(F)ccc2O)CC1	281724907	ITVLHBFIXMFFKL-QGZVFWFLSA-N	257.330	1.532	10	20	CDCD	
C[C@H](N[C@H](C)CN1CCOCC1)c1ccc(F)cc1O	62746013	OBIWBUDPMZVKNF-NEPJUHHUSA-N	282.359	1.903	10	20	CDCD	
CCS(=O)(=O)NCc1ccc(N(C)C)c(F)c1	58507269	ZKOQNKPDWCPVAI-UHFFFAOYSA-N	260.334	1.331	10	20	CDCD	
COc1ccc(O)c([C@H](C)N[C@H](C)CN2CCOCC2)c1	36933062	PBIGFZKVTDMASS-OLZOCXBDSA-N	294.395	1.772	10	20	CDCD	
CC[C@H](COC)NC(=O)NCc1cccc(OC)c1O	74370796	MZKALTRUCJTBCX-LLVKDONJSA-N	282.340	1.625	10	20	CDCD	
CCCN1CCCN(Cc2cc(F)ccc2O)CC1=O	189200810	HIIWUNQKEGDSNZ-UHFFFAOYSA-N	280.343	1.976	10	20	CDCD	
CC[C@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)CCO1	180906619	YFKBCJHCBNCQAJ-FUEXJSSKSA-N	277.320	1.748	10	20	CDCD	
O=C(NCc1ccc(N2CCOCC2)cc1)[C@H]1CCCO1	49740520	WLIWIZNOBGJHON-OAHLLOKOSA-N	290.363	1.318	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)CC1(CN)CC1	423428648	KOEKSZRUWHAQPO-UHFFFAOYSA-N	289.379	1.607	10	20	CDCD	
COc1cccc(CN(C)CC(C)(C)CN)c1O	93873040	JIWQSYOOAJIVBO-UHFFFAOYSA-N	252.358	1.818	10	20	CDCD	
COC(=O)[C@@H]1CN(Cc2cc(C)ccc2O)CCO1	93082972	JUUALYVAWSBAHV-ZDUSSCGKSA-N	265.309	1.074	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCO[C@H](C)C1	274898877	FTRUWMGCHWXYFI-NQBHXWOUSA-N	293.363	1.960	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CCC(O)CC1	272543176	YDMOKBHKYZHZNR-DUXPYHPUSA-N	263.293	1.094	10	20	CDCD	
COc1cc(C(=O)NCc2ccc(N(C)C)cc2)nn1C	274614546	PSPNMYJCDCSZMW-UHFFFAOYSA-N	288.351	1.425	10	20	CDCD	
COc1cccc(CNC(=O)C2SCCS2)c1O	270898657	RAOGQSKHWYSCPE-UHFFFAOYSA-N	285.390	1.823	10	20	CDCD	
CC(=O)C(=O)COC(=O)CCC(=O)c1cccs1	808488731	NELVCWQIJHCPLU-UHFFFAOYSA-N	268.290	1.412	10	20	CDCD	
Oc1ccc(Cl)cc1CNCCN1CCCOCC1	809751269	PDYXEKRFDWRUGX-UHFFFAOYSA-N	284.787	1.858	10	20	CDCD	
COCC[C@H]1COCCN1Cc1cc2c(cc1O)OCO2	291113629	MTPXQJWCYDGNPU-LBPRGKRZSA-N	295.335	1.358	10	20	CDCD	
CCOc1ccc(O)c(CN[C@H]2CCC(=O)N(C)C2=O)c1	818233397	LMUIBXPPLZCXPF-LBPRGKRZSA-N	292.335	1.028	10	20	CDCD	
Cc1cc(CN2CCN3C(=O)OC[C@@H]3C2)ccc1N(C)C	815061961	CNLARYKOMIPKPR-AWEZNQCLSA-N	289.379	1.697	10	20	CDCD	
CO[C@@H]1CCOC[C@H]1N[C@@H](C)c1cc(F)ccc1O	724889855	QLWFVHJOAGIQEI-MRCXROJRSA-N	269.316	1.986	10	20	CDCD	
CN(Cc1cnc[nH]1)Cc1cc2c(cc1O)OCO2	826770255	WAKXUGOZGPOEDC-UHFFFAOYSA-N	261.281	1.476	10	20	CDCD	
CO[C@@H]1CN(Cc2c(O)ccc(Cl)c2F)C[C@H]1O	825023635	DYYWQYQGVJDZQJ-GHMZBOCLSA-N	275.707	1.376	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CCCN1C=O	827955813	KKTOMYVLNVUFQP-OAHLLOKOSA-N	289.379	1.298	10	20	CDCD	
CO[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2O)C[C@H]1O	825017565	UVMCKNCUSPSNMN-GHMZBOCLSA-N	292.162	1.891	10	20	CDCD	
COc1ccc(CNC(=O)NOCC2CC2)c(O)c1	838608973	FSNGKIOHABAIJP-UHFFFAOYSA-N	266.297	1.542	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)NCCc1cscn1	588406391	IXBVLUVLCDFISA-RQOWECAXSA-N	290.344	1.926	10	20	CDCD	
O=[N+]([O-])c1ccc(O)c(CN[C@@H]2CCC[C@H]2O)c1	835079987	IGKCYEGNWQGYJO-ZYHUDNBSSA-N	252.270	1.303	10	20	CDCD	
CN(C)c1ccc([C@H](N)CNC(=O)C2[C@@H]3CCC[C@@H]23)cc1	832267350	QTOJSZJXISYNCB-RBSFLKMASA-N	287.407	1.915	10	20	CDCD	
C[C@@H]1CCN[C@H](C(=O)NCc2ccc(N(C)C)c(F)c2)C1	844177229	CPTIWISLQULOSB-RISCZKNCSA-N	293.386	1.896	10	20	CDCD	
COc1cccc(CNC(=O)OCCCF)c1O	841493274	ZACZPODTRXCPHQ-UHFFFAOYSA-N	257.261	1.987	10	20	CDCD	
Cc1nonc1CC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	845930848	NIUOVQWJAALKSK-QMMMGPOBSA-N	291.307	1.079	10	20	CDCD	
C[C@H]1CN(Cc2cc(C(C)(C)C)cc(O)c2O)CC(=O)N1	840132629	KLTMGXDDPVPBOK-JTQLQIEISA-N	292.379	1.716	10	20	CDCD	
C[C@H]1CN(C(=O)C(=O)Nc2ccc(N)cc2)C[C@@H](C)S1	841050963	LKEBKEDQXUGWIS-AOOOYVTPSA-N	293.392	1.560	10	20	CDCD	
CN(C)c1ccc(CNc2cc(=O)n(C)cn2)cc1F	848659979	ZEYKZSGHWBCLMY-UHFFFAOYSA-N	276.315	1.598	10	20	CDCD	
Nc1ccc(CCNC(=O)NCC2CCNCC2)cc1	841924488	ZYMWEVGEVQAHDQ-UHFFFAOYSA-N	276.384	1.110	10	20	CDCD	
COC(=O)[C@@H]1CSCCN1C(=O)c1cc(O)cs1	925198571	VCDLBRVQSCEZFO-QMMMGPOBSA-N	287.362	1.184	10	20	CDCD	
CN(C)c1ccc([C@H](N)CNCc2cnn(C)c2)cc1	841040245	JQJLNRWYBHWWEQ-OAHLLOKOSA-N	273.384	1.276	10	20	CDCD	
COC(=O)C[C@H](C)C(=O)N[C@@H](C)c1cc(OC)ccc1O	759086252	RISMBINOXSZQBF-UWVGGRQHSA-N	295.335	1.777	10	20	CDCD	
Cc1nnc(C(=O)NCCc2ccc(N)cc2)s1	857764978	HEKVLDLVWIHECO-UHFFFAOYSA-N	262.338	1.401	10	20	CDCD	
COCC[C@H](C)NC(=O)NCc1cc(C)ccc1O	858170742	JNIKSNXLCMCSMO-NSHDSACASA-N	266.341	1.925	10	20	CDCD	
C[C@H](NCCOCCO)c1cc(F)cc(F)c1O	756362661	LCFQAGXYJAUYFP-QMMMGPOBSA-N	261.268	1.330	10	20	CDCD	
C[C@@H](NC(=O)NCCC(=O)N(C)C)c1ccccc1O	868357450	XVXMHZQNKBDDTD-SNVBAGLBSA-N	279.340	1.231	10	20	CDCD	
CC1(C)[C@H]2CN(Cc3cc4c(cc3O)OC[C@H]4O)C[C@H]21	768466517	RDTDHPJYHZSPCV-MBNYWOFBSA-N	275.348	1.906	10	20	CDCD	
CC(C)[C@H](CN(C)C)NC(=O)/C=C\c1ccc(O)c(O)c1	779523000	XTNGYLWQKJBLMA-WOLRVDTOSA-N	292.379	1.813	10	20	CDCD	
CC(C)(CCCO)CNC(=O)c1cc(O)cs1	772927018	SHDPVDALRWTWST-UHFFFAOYSA-N	257.355	1.982	10	20	CDCD	
CCO[C@H]1C[C@](N)(C(=O)N(C)c2ccc(N)cc2)C1(C)C	877077278	BIXKDZXCIICQPK-BBRMVZONSA-N	291.395	1.764	10	20	CDCD	
Cc1[nH]nc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1O	775401971	AAUXDKXJBSWAAV-SECBINFHSA-N	288.351	1.981	10	20	CDCD	
CN1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C(C)(C)C1	779542071	JDRXFVZUCRQNGT-FNORWQNLSA-N	290.363	1.664	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)CCCC(N)=O	787375176	CJIZZPWBYAWRGW-UHFFFAOYSA-N	277.368	1.333	10	20	CDCD	
CNC(=S)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	899724284	LXAFACTXANPEOQ-ZDUSSCGKSA-N	280.441	1.449	10	20	CDCD	
COC[C@]1(C)CCN(C(=O)NCc2ccc(N)cc2)C1	1120591639	DJUWZNHUVXAURD-OAHLLOKOSA-N	277.368	1.837	10	20	CDCD	
COc1cccc(CNC(=O)[C@]2(OC)CCSC2)c1O	896115148	BBAVLWFMOFTSTB-AWEZNQCLSA-N	297.376	1.539	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NCCC(C)(C)N)cc1F	891455953	ICGNBALLBHEANS-UHFFFAOYSA-N	296.390	1.818	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCC[C@@H](OCCO)C1	782060737	WDLOUNDTYHLSAI-SNVBAGLBSA-N	271.338	1.067	10	20	CDCD	
CNc1cc(NCc2ccc(N3CCOCC3)cc2)ncn1	891967337	JYGOWGQIRBVYRW-UHFFFAOYSA-N	299.378	1.967	10	20	CDCD	
C[C@H](O)[C@H](C)NCc1ccc(N2CCC(O)CC2)c(F)c1	1325843758	HDCCMMQYNYVKRQ-RYUDHWBXSA-N	296.386	1.646	10	20	CDCD	
CC[C@H](CO)NCc1ccc(N2CCOCC2)cc1	20195933	SPIUKYXPJBYQCS-CQSZACIVSA-N	264.369	1.384	10	20	CDCD	
CS(=O)(=O)NC[C@H]1CCCCN1Cc1ccc(N)cc1	1334754654	QKDXVBBWSBNJAQ-CQSZACIVSA-N	297.424	1.173	10	20	CDCD	
CCN1CC[C@@H](OC(=O)c2ccc(C)c(O)c2O)C1=O	1333182003	MGSKDBILYRWZLX-SNVBAGLBSA-N	279.292	1.184	10	20	CDCD	
CN1CCCc2cc(CNC(=O)NCC3(N)CC3)ccc21	1335398797	RTRBQAYRRKDORF-UHFFFAOYSA-N	288.395	1.360	10	20	CDCD	
C[C@H]1c2nncn2CCN1C(=O)Cc1ccc(N)cc1	1261495597	MSCWZHINNNDMTO-JTQLQIEISA-N	271.324	1.006	10	20	CDCD	
CCCNC(=O)[C@H](C)NC(=O)NCc1cc(C)ccc1O	1357741915	UCBHNWANEVNRKN-NSHDSACASA-N	293.367	1.415	10	20	CDCD	
CN(C)c1ccc(CNc2ncncc2C(=O)O)cc1F	1606056199	YTDGMIYFFNGUSK-UHFFFAOYSA-N	290.298	1.992	10	20	CDCD	
O=C(O)CCN1CCC[C@H](Sc2nccs2)C1=O	1602014491	YHWNSDJOWQVEGP-QMMMGPOBSA-N	286.378	1.701	10	20	CDCD	
Cc1ccc(C(=O)N2CC[C@@H](C(=O)O)[C@H](C)C2)c(O)c1O	1605246793	APNRVHPBAJTTBG-NXEZZACHSA-N	293.319	1.589	10	20	CDCD	
C[C@H](NC[C@H]1C[C@H]1C)c1cccc(-c2nn[nH]n2)c1O	1589978575	OWWOJUCPTVUBNP-KXUCPTDWSA-N	273.340	1.879	10	20	CDCD	
COc1ccc(O)c([C@H](C)N[C@@H](C)C[S@@](C)=O)c1	168867984	CRCXFTRKWGOHBI-RAALSFIWSA-N	271.382	1.818	10	20	CDCD	
Cc1nccn1CC(=O)N[C@H](C)c1ccccc1O	827952325	NWEBRLITJNUSPD-SNVBAGLBSA-N	259.309	1.775	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)CCNC	43605017	QXXXIRKVEOTFSQ-UHFFFAOYSA-N	263.385	1.711	10	20	CDCD	
C[C@H]1C[C@@H](CNC(=O)c2cccc(O)c2O)CCO1	279877383	RKMSVPDFOVIYGO-UWVGGRQHSA-N	265.309	1.643	10	20	CDCD	
CC(C)(O)[C@H]1CCCN1C(=O)c1cccc(O)c1O	185877103	OKHVVAZWWXBTNA-LLVKDONJSA-N	265.309	1.473	10	20	CDCD	
CCOC[C@H]1CN(Cc2cc(F)cc(F)c2O)CCO1	708386810	WZDFGWHUJPELRR-GFCCVEGCSA-N	287.306	1.908	10	20	CDCD	
COC[C@](C)(O)CN[C@@H](C)c1cc(OC)ccc1O	382544463	CJACSTMKOQSRBE-IINYFYTJSA-N	269.341	1.449	10	20	CDCD	
COc1cccc(CNC(=O)c2cn[nH]c2C)c1O	175929825	ZDISHLQCBOHEJO-UHFFFAOYSA-N	261.281	1.362	10	20	CDCD	
CC[C@H]1C(=O)NCCN1Cc1cccc(Cl)c1O	180037329	KTPBATJDIMNBBP-NSHDSACASA-N	268.744	1.756	10	20	CDCD	
CN(C)c1cccc(CNC(=O)c2cccc(O)c2O)n1	189533010	LZATUOFYIBQCLX-UHFFFAOYSA-N	287.319	1.489	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)CN1CC(=O)N(C)C1=O	182264145	SVKJQMNKBOWTGE-UHFFFAOYSA-N	290.367	1.036	10	20	CDCD	
CC[C@@H](NCC[C@H](O)COC)c1ccccc1O	156986614	AYGOYPXRRFWQIT-WCQYABFASA-N	253.342	1.830	10	20	CDCD	
CNC(=O)CN1CCC(N[C@@H](C)c2ccccc2O)CC1	36990355	DCYBEEDZEILBJQ-LBPRGKRZSA-N	291.395	1.253	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1(O)CCCCC1	186385108	RJOFQBPVPBWPTN-LLVKDONJSA-N	293.363	1.840	10	20	CDCD	
COC(=O)N1CC(N[C@@H](C)c2cc(C)ccc2O)C1	186137254	AMNBTFYVVFSZCS-JTQLQIEISA-N	264.325	1.802	10	20	CDCD	
CN(C)c1ccc(CNC(=O)C2CCC(O)CC2)cc1	194032331	BFSWLCMEXMIRJC-UHFFFAOYSA-N	276.380	1.920	10	20	CDCD	
COC[C@@H](CCO)N[C@H](C)c1cc(F)ccc1O	230663359	WGAKKSAYBYWBKG-MWLCHTKSSA-N	257.305	1.579	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CC[C@H](N)C1	237151199	GAPDWDNRWYGZJS-NEPJUHHUSA-N	289.379	1.605	10	20	CDCD	
COCCN1CC[C@H](NCc2cc(C)c(C)cc2O)C1	266170753	CGSNYYPELISJCY-HNNXBMFYSA-N	278.396	1.819	10	20	CDCD	
C[C@@H](CO)CN[C@H](C)c1ccc(N2CCOCC2)c(F)c1	268852233	PXEFASSUERPWCN-CHWSQXEVSA-N	296.386	1.941	10	20	CDCD	
C[C@H](NCC(F)(F)CO)c1cc([N+](=O)[O-])ccc1O	274456987	ZQXMUSVYCZIOPL-ZETCQYMHSA-N	276.239	1.579	10	20	CDCD	
COc1cc(O)c(CNC[C@@]2(O)CCSC2)cc1OC	271773384	CBZYZXGJJPIWPT-AWEZNQCLSA-N	299.392	1.367	10	20	CDCD	
Cc1cc(O)c([C@@H]2NC(=O)[C@@H]3CSCCN32)cc1C	270818372	RFGXKJSLJSLOJI-WCQYABFASA-N	278.377	1.555	10	20	CDCD	
CC(C)N(CC(N)=O)Cc1ccc(N(C)C)c(F)c1	271046228	RHAASXBXNMDIRP-UHFFFAOYSA-N	267.348	1.587	10	20	CDCD	
COC(=O)[C@H]1CC[C@H]1C(=O)NCc1ccc(N(C)C)cc1	285239077	YLHLYTXUJLHGTK-KGLIPLIRSA-N	290.363	1.568	10	20	CDCD	
O=C(c1cccc(O)c1O)N1C[C@]2(CCCO2)[C@H]1C1CC1	294690302	GDJHASINFWHHEE-GDBMZVCRSA-N	289.331	1.881	10	20	CDCD	
NC(=O)C[C@@H]1CCN(Cc2c(O)ccc3ccncc23)C1	808228790	NNWZKQFIFGSKBB-NSHDSACASA-N	285.347	1.638	10	20	CDCD	
C[C@H](NC[C@H]1CNCCO1)c1cc2c(cc1O)CCCC2	817982352	CLUCYAHHTOEGLO-SWLSCSKDSA-N	290.407	1.910	10	20	CDCD	
Cc1cc(CN2C[C@@H](CO)OC[C@@H]2C)ccc1N(C)C	815063274	YYHYBRHBEDZNBH-ZFWWWQNUSA-N	278.396	1.643	10	20	CDCD	
CC[C@@H](CS(=O)(=O)Nc1ccc(O)cc1)OC	817348901	VEONQVXXUYXODB-NSHDSACASA-N	259.327	1.559	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@H](N)CC(F)F)c1	828666693	HNWOQRLJTUOSCX-OIBJUYFYSA-N	288.294	1.561	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)c2nccnc2N)c1	729279742	AEYKYJNRTUAYPL-QMMMGPOBSA-N	288.307	1.264	10	20	CDCD	
C[C@@H](NC(=O)[C@H]1CCC[C@@H](C(N)=O)C1)c1ccccc1O	827946472	JDVDWPAFKDNPQN-UTUOFQBUSA-N	290.363	1.861	10	20	CDCD	
C[C@@H](NC(=O)N[C@H]1C[C@@H](O)C1)c1ccc(N(C)C)cc1	838559723	PCQANYKUFIGDNH-QKCSRTOESA-N	277.368	1.636	10	20	CDCD	
O=C1NCCC[C@@H]1CNCc1cc(Cl)c(F)cc1O	839195276	FTMCRDFSTBVLMQ-MRVPVSSYSA-N	286.734	1.801	10	20	CDCD	
COC(=O)CCCNC(=O)NCc1cc(OC)ccc1O	734064367	FYDSYMZEXFBWSN-UHFFFAOYSA-N	296.323	1.153	10	20	CDCD	
CC[C@@H]1OCC[C@H]1NCc1ccc([N+](=O)[O-])c(OC)c1O	839192291	OLOJEIYRXMLLLQ-PWSUYJOCSA-N	296.323	1.966	10	20	CDCD	
CCCNC(=O)CCC(=O)NCc1ccc(O)cc1O	910953393	AFLGPGSWTHQQQH-UHFFFAOYSA-N	280.324	1.020	10	20	CDCD	
CC1(C)CCCN1CCNC(=O)c1cccc(O)c1O	837174001	BFQABZFHWIZGLN-UHFFFAOYSA-N	278.352	1.702	10	20	CDCD	
C[C@H]1[C@@H](C)N(C)C(=O)[C@@H](C)N1C(=O)c1cc(O)cs1	912014257	QYPWLYBXDBLVKH-HRDYMLBCSA-N	282.365	1.533	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNCC2(N)CCCC2)c1O	849350027	NRXJPQPNTIAELL-UHFFFAOYSA-N	295.339	1.670	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1CC[C@@H](NC(N)=O)C1	840921489	TYUKZIJDFNYRGR-CYBMUJFWSA-N	276.384	1.304	10	20	CDCD	
C[C@@H]1CSC[C@H]1NC(=O)NCCc1ccc(N)cc1	841901796	MOZAJEYNDGIOEZ-ZWNOBZJWSA-N	279.409	1.862	10	20	CDCD	
CC(C)N(C)S(=O)(=O)NCc1cc(Cl)ccc1O	845999159	UOYOMJHRAVXSDA-UHFFFAOYSA-N	292.788	1.720	10	20	CDCD	
C[C@H](N)CCNC(=O)NCc1ccc(N2CCCC2)cc1	841709403	FLTGYFYNDSWBEF-ZDUSSCGKSA-N	290.411	1.823	10	20	CDCD	
C[C@@H](CN)CNC(=O)N(C)Cc1ccccc1O	841962928	MVHPPCNYUXYYCE-JTQLQIEISA-N	251.330	1.128	10	20	CDCD	
COC(=O)N(C)Cc1nc(Cc2ccc(N)cc2)no1	843158685	GWARLTROWNUKOE-UHFFFAOYSA-N	276.296	1.441	10	20	CDCD	
C[C@@H]1NCCN(C(=O)NCCc2ccc(N)cc2)[C@@H]1C	841955933	RSYKSYPEZCAJTK-NWDGAFQWSA-N	276.384	1.203	10	20	CDCD	
C[C@H](NC(=O)[C@@H]1CC[C@@H]1C(N)=O)c1ccc(N(C)C)cc1	847760398	JQXPDYUFVJDTOU-LEWSCRJBSA-N	289.379	1.441	10	20	CDCD	
Nc1ccc(NC(=O)C(=O)N[C@@H]2[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)cc1	841077582	BVLAFCKEZYQRJJ-XXINRUCKSA-N	285.347	1.368	10	20	CDCD	
Cn1cc([C@@H](O)CNCc2ccc3c(c2)CCCO3)cn1	921779733	AHSOBPPAEJOFIB-HNNXBMFYSA-N	287.363	1.568	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N1CCC[C@@H](O)C1	846614518	ABKCARMXQQAHBJ-VLWUPBBWSA-N	263.293	1.094	10	20	CDCD	
Cc1ccc(C(=O)OCC2(C)COC2)c(O)c1O	744909180	GBTBVPYQFOMKJD-UHFFFAOYSA-N	252.266	1.600	10	20	CDCD	
CNCCCN(C)Cc1cc(OC)c(OC)cc1O	841104804	SSBGNXLIVCLPHD-UHFFFAOYSA-N	268.357	1.451	10	20	CDCD	
Cc1ccc([C@@H](C)NC[C@@H](O)Cn2ccnn2)c(O)c1C	840804312	CUXHRDALANEPDQ-CHWSQXEVSA-N	290.367	1.312	10	20	CDCD	
CC(=O)NCCN(C)Cc1cc(Cl)cc(F)c1O	843427458	BTISDVRWKRPYNT-UHFFFAOYSA-N	274.723	1.753	10	20	CDCD	
COc1ccc(N(C)C[C@@H]2CCC(=O)N2)c(OC)c1	844309646	FFEAIHIQDKIHBO-JTQLQIEISA-N	264.325	1.419	10	20	CDCD	
CCOc1ccc(CN2C[C@H](C)N[C@H](C)C2)c(O)c1	843049390	MSGUXAIAVPTENW-TXEJJXNPSA-N	264.369	1.973	10	20	CDCD	
CCCOC(=O)[C@@H](C)OC(=O)/C=C\c1ccc(O)c(O)c1	759588419	LHSIFEUUUFHVLL-ONRRBMGISA-N	294.303	1.996	10	20	CDCD	
C[C@@H]1CN(C(=O)c2cc(O)cs2)C[C@]1(C)CO	856248663	OWLJGSYPXMNPKK-PRHODGIISA-N	255.339	1.544	10	20	CDCD	
C[C@@H](CC(N)=O)N[C@H](C)c1cc(Cl)ccc1O	756660211	LARWDZCIAHZMJK-JGVFFNPUSA-N	256.733	1.960	10	20	CDCD	
COc1cccc(CNC(=O)COC(F)(F)F)c1O	934939932	DZSWNNOBNCACKN-UHFFFAOYSA-N	279.214	1.553	10	20	CDCD	
Oc1ccccc1CNc1cc(N2CCOCC2)ncn1	764806844	RSXOBSZFYDLRNJ-UHFFFAOYSA-N	286.335	1.631	10	20	CDCD	
COC(=O)N[C@@H](C)C(=O)N[C@H](C)c1cc(OC)ccc1O	761973510	QWXRSQULUUBCCZ-BDAKNGLRSA-N	296.323	1.323	10	20	CDCD	
O=C(CCCn1ccnc1)NCCc1ccc(O)c(O)c1	768904347	VLTAENLTKASNRQ-UHFFFAOYSA-N	289.335	1.433	10	20	CDCD	
OCC1(NCc2ccc(N3CCC(O)CC3)cc2)CCC1	877140782	KMNLTCPDTKPHSA-UHFFFAOYSA-N	290.407	1.652	10	20	CDCD	
CCOc1cccc(CN[C@H](CO)C[C@@H]2CCCO2)c1O	886229676	UMORFLDFYAQKFW-KBPBESRZSA-N	295.379	1.811	10	20	CDCD	
Cn1cc(C(=O)NCc2ccc(O)c(O)c2)c(C(F)F)n1	778927252	NDISWPPACQBVRF-UHFFFAOYSA-N	297.261	1.699	10	20	CDCD	
CCN(C)C(=O)[C@@H](C)NCc1ccc(OC)c(OC)c1O	893964283	QEXKVNXKACFXSZ-SNVBAGLBSA-N	296.367	1.366	10	20	CDCD	
CCOC(=O)[C@H]1CCN(Cc2c(O)cccc2OC)C1	896962016	HSVRBXHSIHCDOD-NSHDSACASA-N	279.336	1.786	10	20	CDCD	
COc1cc(C)cc(CNCCCN2CCOCC2)c1O	894145511	MGIIGAOVXGHZIN-UHFFFAOYSA-N	294.395	1.521	10	20	CDCD	
COc1ccc(CNc2ccc3nnc(C)n3n2)c(O)c1	795284955	OEAYJQLVYWDMFA-UHFFFAOYSA-N	285.307	1.759	10	20	CDCD	
CCOc1ccc(N2CCN(CCCO)CC2)cc1	74415288	UPTKWNXZXOSILT-UHFFFAOYSA-N	264.369	1.590	10	20	CDCD	
NCCCCNCc1cc(Cl)cc([N+](=O)[O-])c1O	1327416998	XDBTUCLLGGHOEL-UHFFFAOYSA-N	273.720	1.782	10	20	CDCD	
CNC[C@@H](C)CN[C@@H](C)c1cc([N+](=O)[O-])ccc1O	1327840618	PWAADGDUJKOXOR-ZJUUUORDSA-N	267.329	1.807	10	20	CDCD	
C[C@@H](NCCN1CCOC1=O)c1ccc(N(C)C)cc1	775835473	ZOHZKQVCGFODLS-GFCCVEGCSA-N	277.368	1.855	10	20	CDCD	
COc1cc(C)cc(CN[C@H](CCO)CSC)c1O	1331534321	UBYUODUPKZKATO-GFCCVEGCSA-N	285.409	1.913	10	20	CDCD	
Nc1ccc(CCNC(=O)NC[C@H]2CCCCCN2)cc1	1336906401	MEODTMZHZGTAHL-OAHLLOKOSA-N	290.411	1.643	10	20	CDCD	
CC(C)OC[C@@H]1CN(Cc2ccc(N)cc2)CCO1	1334774162	FIBCAQQSILCGEY-HNNXBMFYSA-N	264.369	1.895	10	20	CDCD	
CC(C)c1n[nH]c(CNC(=O)Cc2ccc(N)cc2)n1	1358421217	MIVFTXHVXHODQJ-UHFFFAOYSA-N	273.340	1.369	10	20	CDCD	
O=C(NCc1cccc(O)c1O)[C@@H]1CCCc2n[nH]cc21	1521852070	RYSSIFWELHDXEO-SNVBAGLBSA-N	287.319	1.557	10	20	CDCD	
C[C@@H](NCCCNC1CC1)c1cc(C(=O)O)ccc1O	1609779956	PWDUUSTUWMNUAL-SNVBAGLBSA-N	278.352	1.883	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN[C@H]1CCO[C@H]1C(=O)O	1600236072	JULLCHTVTVOXBH-UONOGXRCSA-N	278.352	1.393	10	20	CDCD	
C[C@H](C(=O)NCc1cccc(O)c1O)c1ccnn1C	1548791570	VVWPGEKYUUIZRF-VIFPVBQESA-N	275.308	1.251	10	20	CDCD	
CCOc1ccc(O)c(CN2CCOC[C@@H]2CC(=O)O)c1	1597129817	IXLYIDZVNOMECB-LBPRGKRZSA-N	295.335	1.466	10	20	CDCD	
CC(C)[C@H](NC(=O)COc1ccc(N(C)C)cc1)C(=O)O	1591877781	RBJAHHDEVJVILF-AWEZNQCLSA-N	294.351	1.357	10	20	CDCD	
CC(C)[C@H](O)CN[C@H](C)c1cc(C(=O)O)ccc1O	1593245922	DXEUUICVUWUMAI-NOZJJQNGSA-N	267.325	1.758	10	20	CDCD	
COc1ccc(N(C)CCCN2CCOCC2)cc1	844353583	ZKIFPFIRQAKZTF-UHFFFAOYSA-N	264.369	1.854	10	20	CDCD	
C[C@H](CN1CCOCC1)NCc1cc(F)ccc1O	226584767	MMTWAWQXIMSIRF-LLVKDONJSA-N	268.332	1.342	10	20	CDCD	
COc1ccc(O)c([C@H](C)NCc2ncn(C)n2)c1	230670185	JOEYRDLDLRGEEY-VIFPVBQESA-N	262.313	1.380	10	20	CDCD	
Cc1ccc(O)c([C@@H](C)NCCS(=O)(=O)N(C)C)c1	230987752	WUMXFULHCGLXOY-LLVKDONJSA-N	286.397	1.243	10	20	CDCD	
Cc1ccc(O)c(CNC[C@@H]2CN3CCC[C@H]3CO2)c1	252673816	MNKSUBBOFJJVEM-LSDHHAIUSA-N	276.380	1.653	10	20	CDCD	
Cc1ccc(C(=O)N2C[C@H](C)O[C@H](C)C2)c(O)c1O	177658405	XGERQMVDLKJYHC-AOOOYVTPSA-N	265.309	1.656	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@H](C)n2cncn2)c1	171483757	NPOBUYCZZBLILF-ZJUUUORDSA-N	290.323	1.431	10	20	CDCD	
Oc1ccc2c(c1CNc1ccc3nnnn3n1)CCCC2	78464039	QVPMCFWWFSENQV-UHFFFAOYSA-N	296.334	1.716	10	20	CDCD	
C[C@H](C(=O)NC[C@@H]1CCCO1)N(C)Cc1ccccc1O	114721378	KDJDSLSKNUFGKK-OCCSQVGLSA-N	292.379	1.508	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCCC[C@@H]1c1ncon1	185698315	YHPWYCUKEKJHKF-SNVBAGLBSA-N	289.291	1.848	10	20	CDCD	
COc1ccc(N2CCN(Cc3cnn(C)c3)CC2)cc1	70948027	KISCXTVSNGCXBW-UHFFFAOYSA-N	286.379	1.751	10	20	CDCD	
Cc1ccc(C(=O)NC[C@H]2CC[C@H](O)C2)c(O)c1O	191344057	ASFMCGCUAFODBD-UWVGGRQHSA-N	265.309	1.297	10	20	CDCD	
CNC(=O)[C@H](C)CN(C)Cc1cc(C)c(C)cc1O	93899019	YDXALPJZYHLQJO-GFCCVEGCSA-N	264.369	1.823	10	20	CDCD	
Oc1cc2c(cc1CN[C@H]1CCN3CCC[C@H]3C1)OCO2	252667304	IKDXCZYCSUBXDV-STQMWFEESA-N	290.363	1.837	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NCCOCC2CC2)cc1	264497182	PACLCVITYRFOEV-UHFFFAOYSA-N	291.395	1.978	10	20	CDCD	
CC[C@H](N)C(=O)N1CCCN(c2ccc(OC)cc2)CC1	366332196	YDGJJKGVJCYRTJ-HNNXBMFYSA-N	291.395	1.471	10	20	CDCD	
CCn1nccc1/C=C1\SC(=S)N(CC(=O)O)C1=O	269973111	LVIOMKUWTIQNTP-YVMONPNESA-N	297.361	1.189	10	20	CDCD	
Cc1nonc1C(=O)NCc1ccc(N(C)C)c(F)c1	265019871	IRKPDFQBEYFBAM-UHFFFAOYSA-N	278.287	1.513	10	20	CDCD	
CN(C(=O)c1cc(NS(C)(=O)=O)ccc1O)C1CCC1	271224935	DWOBHIXKOYKDJJ-UHFFFAOYSA-N	298.364	1.388	10	20	CDCD	
O=C(NC1CC1)N[C@H]1CCN(Cc2ccccc2O)C1	273709817	FVUSIWOBRGBMLZ-ZDUSSCGKSA-N	275.352	1.428	10	20	CDCD	
C[C@@H]1C[C@@H](C)[C@@H](C(=O)NCc2ccc(O)c(O)c2)O1	282312814	HCPRNYSIRUZEQU-KKFJDGPESA-N	265.309	1.528	10	20	CDCD	
CCOc1cccc(CNCCC2(O)CCOCC2)c1O	285666981	ZJUUKRMBHGJCGG-UHFFFAOYSA-N	295.379	1.812	10	20	CDCD	
CN(C)c1ccc(CNC(=O)COCC2CC2)cc1F	299340489	PVGJAKVTNSNNTC-UHFFFAOYSA-N	280.343	1.935	10	20	CDCD	
COc1ccc(O)c(CNC(=O)N[C@H]2CSC[C@H]2C)c1	806810159	HUVVLEXBLLFMBD-SKDRFNHKSA-N	296.392	1.952	10	20	CDCD	
CCN(CC)c1ccc(CNCCC(=O)NC(N)=O)cc1	818964810	IJFIERBLVRLBHF-UHFFFAOYSA-N	292.383	1.207	10	20	CDCD	
Cc1noc([C@H](C)NCc2cc3c(cc2O)OCO3)n1	729684561	RTASEGFJKSVXEW-ZETCQYMHSA-N	277.280	1.663	10	20	CDCD	
C[C@H](NCCNC1CC1)c1cc([N+](=O)[O-])ccc1O	817953970	TXQOBYDSVNFEIB-VIFPVBQESA-N	265.313	1.703	10	20	CDCD	
CCOCC[C@H](O)CNCc1ccc(N(C)C)c(F)c1	818985521	VXJYRAQAJPXTPF-ZDUSSCGKSA-N	284.375	1.769	10	20	CDCD	
CNCCc1ccccc1C(=O)N1CCCn2nccc21	576338873	FRGICYRBLOCZNQ-UHFFFAOYSA-N	284.363	1.696	10	20	CDCD	
Cc1ccncc1/C=C\C(=O)N1CCn2nccc21	492783631	QRQGTQDBYNSCSD-IHWYPQMZSA-N	254.293	1.647	10	20	CDCD	
COc1cccc(O)c1CN1CCN([C@H]2CCOC2)CC1	827119552	NCEAFQQVMLSGCY-ZDUSSCGKSA-N	292.379	1.307	10	20	CDCD	
CCN(CC)c1ccc(CN(C)S(N)(=O)=O)cc1	906490850	XXGVQCLAQRVSCW-UHFFFAOYSA-N	271.386	1.168	10	20	CDCD	
CO[C@@H]1CCOC[C@H]1N[C@H](C)c1cc([N+](=O)[O-])ccc1O	903300429	ZMBYHCXGCYTNPX-GAJTVXKRSA-N	296.323	1.755	10	20	CDCD	
Cc1ccoc1CC(=O)NCCc1ccc(O)c(O)c1	830532699	YVYYDIWSSOFPCY-UHFFFAOYSA-N	275.304	1.901	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1[C@H]2C(=O)CC[C@H]21	907274134	PNFQVYWPFGEQMY-FTTKWNSESA-N	289.331	1.370	10	20	CDCD	
COc1cccc(CNC(=O)[C@@H](NC(=O)O)C(C)C)c1O	738096739	JJQCQOHJNCKDPA-NSHDSACASA-N	296.323	1.309	10	20	CDCD	
COc1ccc(O)c(CNC[C@@]2(C)CCC(=O)N2)c1	835060118	JCZGGHRIYIJZJG-CQSZACIVSA-N	264.325	1.159	10	20	CDCD	
CN1CCN(C(=O)/C=C\c2cnn(C)c2)c2cccnc21	749464294	GGMCAACDZFCBOD-WAYWQWQTSA-N	283.335	1.311	10	20	CDCD	
CCOc1cccc(CNC[C@H]2CC(=O)N(CC)C2)c1O	846092936	KVXPZNIPMBLMRN-GFCCVEGCSA-N	292.379	1.749	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@]2(C(=O)O)CC2(C)C)cc1	849364196	FPFYYXRLKGJQEU-MRXNPFEDSA-N	290.363	1.870	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)[C@@H]1CCCC12OCCO2	910945922	DWEFVEKAYYADQW-LBPRGKRZSA-N	293.319	1.257	10	20	CDCD	
O=C(N[C@@H]1CCCN2CCCC[C@@H]12)c1cccc(O)c1O	848351916	HOGUABJKHXNAPI-OLZOCXBDSA-N	290.363	1.845	10	20	CDCD	
CNCCNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1	841037770	VHRFVDNUHFZVAM-UHFFFAOYSA-N	292.383	1.894	10	20	CDCD	
C[C@H]1[C@H](C)N(C(=O)Nc2ccc(N)cc2)CCN1C	841295567	BLIOIMWMZDDLHD-QWRGUYRKSA-N	262.357	1.825	10	20	CDCD	
CCNC(=O)CCN(C)CCN(C)c1ccc(OC)cc1	844400308	ZZFKULBWCDWBQZ-UHFFFAOYSA-N	293.411	1.589	10	20	CDCD	
C[C@@H](CC[S@](C)=O)NC(=O)c1cc(O)cs1	748373609	YVMYCSMQDCDEIC-GYKQLYQFSA-N	261.368	1.341	10	20	CDCD	
COc1cc(O)c(CN[C@@H](CO)CCF)cc1OC	846098376	AWABCSREIYMILS-SNVBAGLBSA-N	273.304	1.220	10	20	CDCD	
CNC[C@H](C)NC(=O)N[C@H](C)c1ccc(N(C)C)cc1	851658961	JFIFHBCACMXUGV-NWDGAFQWSA-N	278.400	1.721	10	20	CDCD	
COc1ccc(N(Cc2nc(=O)n(C)[nH]2)CC(C)C)cc1	754058180	RKMMFIBZWXPFRC-UHFFFAOYSA-N	290.367	1.780	10	20	CDCD	
CCc1cccc(CN[C@H](C)C(=O)N(C)OC)c1O	862542602	UVGIAKBHQLLCLO-SNVBAGLBSA-N	266.341	1.453	10	20	CDCD	
C[C@H](NC[C@H]1COCCN1)c1ccc(N(C)C)cc1	863545272	NBLKOSULXSDCJB-JSGCOSHPSA-N	263.385	1.392	10	20	CDCD	
CO[C@]1(CN(C)Cc2ccccc2O)CCOC1	876615520	GZKYXBLJFFPGNE-AWEZNQCLSA-N	251.326	1.630	10	20	CDCD	
CN1CCN(Cc2cc(Cl)cc(F)c2O)[C@H](CO)C1	877644929	VVUYRSJYCQSKKI-NSHDSACASA-N	288.750	1.293	10	20	CDCD	
Oc1cc2c(cc1CN1CCSCC1)[C@@H](O)CO2	768439795	NJGAPWJYIMNRSD-LBPRGKRZSA-N	267.350	1.367	10	20	CDCD	
COC[C@H](CNC(=O)NCc1cc(C)ccc1O)OC	875474994	KBAASJYLJKVYDG-LBPRGKRZSA-N	282.340	1.161	10	20	CDCD	
CCOc1nc(C(=O)NCc2ccc(O)c(O)c2)co1	773413901	OABRWRKFIRYBQQ-UHFFFAOYSA-N	278.264	1.415	10	20	CDCD	
COc1cc(O)c(CNc2cnn(CCO)c2)cc1OC	776253312	WAEHSWBLIHQKBU-UHFFFAOYSA-N	293.323	1.210	10	20	CDCD	
C[C@H](C(=O)NCc1ccc2c(c1)CCCN2C)N(C)C	874252017	UJUQLMRENZOEFK-GFCCVEGCSA-N	275.396	1.635	10	20	CDCD	
CN(CCc1cnccn1)C(=O)/C=C/c1ccc(O)c(O)c1	779547375	JSIUFTQFWACRGO-HWKANZROSA-N	299.330	1.602	10	20	CDCD	
C[C@@H]1CC[C@@H](NC(=O)C(=O)N(C)Cc2ccccc2O)C1	1119547458	NOZHFBCMGLPKHZ-DGCLKSJQSA-N	290.363	1.655	10	20	CDCD	
CCC[C@H](O)CC(=O)N[C@H](C)Cc1ccc(O)c(O)c1	773745994	SCTKHCWARAJVGF-PWSUYJOCSA-N	281.352	1.696	10	20	CDCD	
CC[C@@H]1CN(Cc2cccc(OC)c2O)C[C@H]1O	770378260	HAEKQPARSQDECP-ZYHUDNBSSA-N	251.326	1.604	10	20	CDCD	
CCC(=O)N[C@@H](C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	773024566	LUVZEOXBLMQLGQ-RYUDHWBXSA-N	291.395	1.845	10	20	CDCD	
C[C@H]1OCC[C@@H]1Cn1cc(COc2ccc(N)cc2)nn1	881366311	CGLUYFNAQWQQAE-VXGBXAGGSA-N	288.351	1.864	10	20	CDCD	
COc1cc(C)cc(CN[C@@H](C)[C@@H](CO)SC)c1O	894281348	OPNNZPDZCDSXCI-GXFFZTMASA-N	285.409	1.911	10	20	CDCD	
COc1cc(C)cc(CNC[C@H](O)COCC(C)C)c1O	894203864	WNNXKCNJWJBGEQ-AWEZNQCLSA-N	297.395	1.832	10	20	CDCD	
CC(C)SCC(=O)OCC(=O)c1ccc(O)c(O)c1	782698405	WZNQSRDAVFCCKW-UHFFFAOYSA-N	284.333	1.965	10	20	CDCD	
COc1cc(C)cc(CN[C@H]2CCCN(C)C2=O)c1O	894323925	SHCRLCGCTYAPCM-LBPRGKRZSA-N	278.352	1.420	10	20	CDCD	
CN1CC[C@](O)(CNCc2c(O)ccc(Cl)c2F)C1	790986225	JYCPAHKPVPBODA-ZDUSSCGKSA-N	288.750	1.341	10	20	CDCD	
COC(=O)NC1CN(Cc2ccc(N(C)C)cc2C)C1	1325242553	RIJGTZHGMGYZCO-UHFFFAOYSA-N	277.368	1.601	10	20	CDCD	
CCN(C)C(=O)CN[C@H](C)c1cc(C)ccc1O	186813676	YLDXAUAVBLAFIA-LLVKDONJSA-N	250.342	1.830	10	20	CDCD	
CS[C@H](CO)[C@H](C)NCc1cccc(C)c1O	224856085	YIGYDLBQYCDXDS-CMPLNLGQSA-N	255.383	1.903	10	20	CDCD	
CCOCCOCCN(C)Cc1ccccc1O	191571896	RMOLKLVRKYLASF-UHFFFAOYSA-N	253.342	1.877	10	20	CDCD	
CC[C@@]1(NC(=O)NCc2ccc(N)cc2)CCOC1	1338793095	LCQCKFMAPUMCRG-CQSZACIVSA-N	263.341	1.637	10	20	CDCD	
C[C@@H](NC(=O)C[C@@H]1C=CS(=O)(=O)C1)c1ccccc1O	1331874006	PERGVMZHSBZMEU-MNOVXSKESA-N	295.360	1.518	10	20	CDCD	
NCC[C@@H]1CCN(C(=O)NCCc2ccc(N)cc2)C1	1262585168	VAPZPHHWADATME-CYBMUJFWSA-N	276.384	1.192	10	20	CDCD	
CN[C@@H](C)CCNCc1ccc(N(C)C)c(F)c1	1348515912	QVPFYLDRAYLPPB-NSHDSACASA-N	253.365	1.979	10	20	CDCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2NC[C@@H]1COCCN1	1351678888	HYPWVRQXQPSKBH-JHJVBQTASA-N	276.380	1.827	10	20	CDCD	
Cc1cc(O)c(CN2C[C@H](O)C[C@@H](C(=O)O)C2)c(Cl)c1	1600286282	NYHDTQVBLLFICS-NXEZZACHSA-N	299.754	1.621	10	20	CDCD	
C[C@H](NC(=O)NCCSCC(=O)O)c1ccccc1O	1607455853	WVLXQWPXTKWWAC-VIFPVBQESA-N	298.364	1.570	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NC[C@H]2C[C@H]2C(=O)O)cc1	1606055691	MRGIUKSNBNTLRY-DGCLKSJQSA-N	291.351	1.273	10	20	CDCD	
O=C(NCc1ccccc1O)c1n[nH]cc1Br	1123642959	ZONWOBLEDUCDAQ-UHFFFAOYSA-N	296.124	1.808	10	20	CDCD	
COc1ccc(O)c(CN[C@@H](CC2CC2)C(=O)O)c1	1599598421	LYUJLTGDDOITRM-LBPRGKRZSA-N	265.309	1.744	10	20	CDCD	
C[C@@H](N[C@@H](CN)C1CC1)c1cc(C(=O)O)ccc1O	1593207340	CIYZQAXEWNNKOO-PELKAZGASA-N	264.325	1.478	10	20	CDCD	
COC[C@@H](CSc1ncc(C(=O)O)s1)OC	1599164374	HYVNTCCSVISFGI-LURJTMIESA-N	263.340	1.595	10	20	CDCD	
CC[C@@H](CCNCc1cc([N+](=O)[O-])ccc1O)C(=O)O	1776711846	UKNBIYVQNJXPHY-VIFPVBQESA-N	282.296	1.891	10	20	CDCD	
CNc1nc(C(=O)NCc2cc(OC)ccc2O)cs1	155366819	SOVIJICVFHYYPJ-UHFFFAOYSA-N	293.348	1.829	10	20	CDCD	
CN(C)c1ccc(CNC(=O)C[C@@H]2COC(=O)C2)cc1	156818030	ONEBGRLUJLIKEJ-LBPRGKRZSA-N	276.336	1.322	10	20	CDCD	
C[C@@H](NC(=O)C(C)(C)C)C(=O)NCc1ccc(O)c(O)c1	159083011	VJMLPNLYBOZKLS-SECBINFHSA-N	294.351	1.265	10	20	CDCD	
COc1ccc(O)c(CN2CCN(C)C(C)(C)C2)c1	211484070	DELVJHQWZYTVPP-UHFFFAOYSA-N	264.369	1.927	10	20	CDCD	
CN(C)c1ccc(CNCCN2CCSCC2)cc1	226246995	MUTYJMSEUHSKRN-UHFFFAOYSA-N	279.453	1.891	10	20	CDCD	
CCS(=O)(=O)CCN(C)Cc1ccccc1O	118399015	VHPPCNJIUWNMKA-UHFFFAOYSA-N	257.355	1.259	10	20	CDCD	
COC(=O)[C@@H]1CCCN1Cc1cccc(OC)c1O	124801129	WDVXYRDOYBMQGK-NSHDSACASA-N	265.309	1.538	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CC1(O)CCCC1	183431056	GNJKBUIVUMADSH-NSHDSACASA-N	293.363	1.840	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cnn(C)c1	183473218	KYMRDLYIHGPBBZ-VIFPVBQESA-N	275.308	1.192	10	20	CDCD	
COC(=O)C1CCC(NC(=O)c2cccc(O)c2O)CC1	126735574	AUOOJRXEZJTKCF-UHFFFAOYSA-N	293.319	1.559	10	20	CDCD	
COc1ccc(N2CCN(C(=O)CCC(C)=O)CC2)cc1	41460688	PFGWLDOFSCLVJV-UHFFFAOYSA-N	290.363	1.713	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)N1CCOCC1	194467199	HTPVXBBZRWVPMM-UHFFFAOYSA-N	277.368	1.637	10	20	CDCD	
Cc1cc(C)c([C@H](C)NC[C@@H]2COCCN2)c(O)c1	530227346	SJNCFQKQEUBDPI-QWHCGFSZSA-N	264.369	1.648	10	20	CDCD	
CCCN(Cc1ccccc1O)C[C@](C)(O)C(=O)OCC	274590018	JUMSBEUZMFGUNK-INIZCTEOSA-N	295.379	1.918	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1C[C@H]2CC[C@H]1O2	273158668	JVLYPYKJGBKISF-AYIJCJCZSA-N	291.347	1.713	10	20	CDCD	
CCCN1CC[C@@H](CNC(=O)NCc2ccccc2O)C1	299507714	NESCWCUJNUAFNK-ZDUSSCGKSA-N	291.395	1.923	10	20	CDCD	
CC(=O)C(=O)CSc1ccc2c(c1)OCCO2	808016275	YTZBDWKDYTUMTK-UHFFFAOYSA-N	252.291	1.708	10	20	CDCD	
Cc1cnc(COC(=O)c2ccc(C)c(O)c2O)nc1	808512003	JERKCZQVRHYPRB-UHFFFAOYSA-N	274.276	1.862	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN[C@@H]1CCOC[C@H]1[C@H](C)N	817893693	GQTJJYCWWIUYKT-RRQGHBQHSA-N	291.439	1.903	10	20	CDCD	
NC(=O)CCNCc1ccc(N2CCSCC2)cc1	818964233	ORSBXMMLIGSIBC-UHFFFAOYSA-N	279.409	1.205	10	20	CDCD	
Cc1ccc(C(=O)N2CC[C@H](O)C23CCCC3)c(O)c1O	817582875	MLKUFLOKEVSQFG-LBPRGKRZSA-N	291.347	1.926	10	20	CDCD	
O=C(CCCC(=O)C1CC1)NCc1ccc(O)c(O)c1	827316836	IULOEDMQWTXTQZ-UHFFFAOYSA-N	277.320	1.863	10	20	CDCD	
COc1cccc(O)c1CN1C[C@@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1	824839425	YSMRLLCPTAZNHW-DPDCMNJDSA-N	273.332	1.786	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2CC[C@@H](F)C2)c1O	824572527	ZBBNVYFWBGHRLG-SECBINFHSA-N	270.260	1.853	10	20	CDCD	
Cc1cc(C(=O)NC2CC(=O)C2)c(C)n1-c1ccccn1	908474272	RXEZIQMJMGNRQS-UHFFFAOYSA-N	283.331	1.950	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1C[C@@H]1C(N)=O	900400633	PIGYZHCDRAUCJD-UONOGXRCSA-N	289.379	1.223	10	20	CDCD	
C[C@H](O)C[C@@H]1COCCN1C(=O)c1cc(O)cs1	832258600	DOLOJOISWQLQTQ-DTWKUNHWSA-N	271.338	1.066	10	20	CDCD	
CC(C)(O)CN(C(=O)c1cc(O)cs1)C1CC1	832511663	HQVCJXMHEGATDP-UHFFFAOYSA-N	255.339	1.829	10	20	CDCD	
C[C@@H]1C[C@@H]1C(=O)NC[C@H](N)c1ccc(N(C)C)cc1	832293390	VUEHUULGVAHJRP-SWHYSGLUSA-N	261.369	1.525	10	20	CDCD	
CCc1nncn1CCNC(=O)c1cc(O)cs1	743759182	PQQKXGRXWDOKFP-UHFFFAOYSA-N	266.326	1.038	10	20	CDCD	
C[C@H]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(N)cc2)C1	841121527	VSVKLHIBMIXJLJ-WDEREUQCSA-N	275.352	1.760	10	20	CDCD	
CCCN1CC(=O)N[C@@H]1c1ccc2c(c1)CCN2C	840825180	VDXSWEAUWNLAPB-HNNXBMFYSA-N	259.353	1.519	10	20	CDCD	
CCCN1CC(=O)N[C@@H]1c1cc(Br)ccc1O	840822331	LNDXPWCQEPJZPK-LBPRGKRZSA-N	299.168	1.995	10	20	CDCD	
C[C@@H](O)CN(C)c1ccc(/C=C\C(=O)O)cc1[N+](=O)[O-]	844207196	BZJPXCDXKMVLMR-XTULLQBASA-N	280.280	1.510	10	20	CDCD	
COCCS(=O)(=O)NCc1cc(Cl)ccc1O	845999670	YCGXQKJRHCRHMA-UHFFFAOYSA-N	279.745	1.111	10	20	CDCD	
COC[C@]1(CNCc2cccc(C)c2O)CCCN1	841066948	HDCWECWOHHAJOU-OAHLLOKOSA-N	264.369	1.559	10	20	CDCD	
Oc1c(Cl)cccc1CNC[C@H]1CNCCCO1	841087001	RJWCZYSHMOSRJJ-LLVKDONJSA-N	270.760	1.514	10	20	CDCD	
COc1cccc([C@H](C)NCc2cncn2C)c1O	846172715	OODPTVLYZKQSJL-JTQLQIEISA-N	261.325	1.985	10	20	CDCD	
C[C@@H]1C[C@@H](NC(=O)NCc2ccccc2O)CCN1C	745789840	QOLUOUHVCGKPDW-YPMHNXCESA-N	277.368	1.674	10	20	CDCD	
CCC(=O)N[C@H](C)c1nc(Cc2ccc(N)cc2)no1	843158372	CCUQTZXNGUSRGE-SECBINFHSA-N	274.324	1.830	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2CCN[C@H](C)[C@H]2C)c1O	843056981	DODWSTZIOFOBBC-NXEZZACHSA-N	295.339	1.491	10	20	CDCD	
C[C@@H](NC(=O)NC1CCOCC1)c1ccccc1O	868109510	XUQGZXFJGLOHSA-SNVBAGLBSA-N	264.325	1.931	10	20	CDCD	
CCOCc1cc(CN[C@H](C)CNC)ccc1OC	853248612	HWEDRCZLDSXQSG-GFCCVEGCSA-N	266.385	1.929	10	20	CDCD	
O=C1CC[C@@H]2CN(C(=O)c3cc(O)cs3)CC[C@H]2N1	855674287	ATEYUKWSUHLKDZ-PSASIEDQSA-N	280.349	1.194	10	20	CDCD	
CCn1cc(CNCc2cc([N+](=O)[O-])ccc2O)nn1	850366081	ALZWYWCJDANDLV-UHFFFAOYSA-N	277.284	1.202	10	20	CDCD	
CN(C)C(=O)N[C@H]1CCCN(C(=O)c2cc(O)cs2)C1	854890905	XPRZBEXWKJSGGD-VIFPVBQESA-N	297.380	1.330	10	20	CDCD	
CN(CC(F)(F)F)C(=O)CN(C)c1ccc(N)cc1	863557805	VQDMLDWCNCVKRL-UHFFFAOYSA-N	275.274	1.726	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)C2=COCC2)c1	761973252	OSGKVFWLWWCJEX-SECBINFHSA-N	263.293	1.882	10	20	CDCD	
CCOC(=O)[C@H](CC)C(=O)NCc1cc(C)ccc1O	862754943	LZSNHFVOKKGJAS-GFCCVEGCSA-N	279.336	1.906	10	20	CDCD	
CC(=O)NCCCNC(=O)N[C@H](C)c1ccccc1O	868009811	LGBMYRMBCKPQOF-SNVBAGLBSA-N	279.340	1.279	10	20	CDCD	
Cc1ocnc1CNC(=O)NCc1ccccc1O	770805116	GYRNBGAESXZBHF-UHFFFAOYSA-N	261.281	1.688	10	20	CDCD	
Cc1ccc(CN[C@@H]2CC(=O)N(C3CC3)C2)c(O)c1	877157756	BFHWUVCLHACPDQ-GFCCVEGCSA-N	260.337	1.554	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2CCN[C@H](C)C2)c1O	774821744	ZPUPOHPLGNUROJ-SECBINFHSA-N	281.312	1.103	10	20	CDCD	
O=C(CCC1CCOCC1)NCc1ccc(O)c(O)c1	778918791	WAFPLYRQTVZFKX-UHFFFAOYSA-N	279.336	1.921	10	20	CDCD	
CCOC[C@@H](C)NCc1ccc(N2CCN(C)CC2)cc1	771832556	KDFCKSFCGKQGMP-OAHLLOKOSA-N	291.439	1.953	10	20	CDCD	
CC[C@H](CO)NC(=O)N[C@H](C)c1ccc(N(C)C)cc1	773621452	YXXSIACCPKTKIU-DGCLKSJQSA-N	279.384	1.884	10	20	CDCD	
C[C@H](NC(=O)CCC(=O)O)c1ccc(N(C)C)cc1	773896363	DZBSCRUAKIAUJE-JTQLQIEISA-N	264.325	1.795	10	20	CDCD	
COCCN(CCC(=O)OC)Cc1cccc(C)c1O	775700026	KLSDDGLHSRPNFO-UHFFFAOYSA-N	281.352	1.712	10	20	CDCD	
CCOCC[C@H](NCc1ccc2c(c1)CCCO2)C(=O)O	1120087320	GCKLESMJEBNZJK-AWEZNQCLSA-N	293.363	1.981	10	20	CDCD	
C[C@@H](CNC(=O)NCc1c(O)cccc1F)C(=O)O	1121918597	MUOPKPKXRKATBX-ZETCQYMHSA-N	270.260	1.051	10	20	CDCD	
CCOc1ccc(O)c(CN2CCCNC(=O)[C@H]2CC)c1	898541112	FYTYNRWLQKVQBH-CQSZACIVSA-N	292.379	1.891	10	20	CDCD	
CC(C)CN(C)C(=O)C(=O)NCc1ccc(N(C)C)cc1	785429276	YYKXUVASEVWPDN-UHFFFAOYSA-N	291.395	1.483	10	20	CDCD	
CCc1cccc(CN2C[C@H]3CN(C(C)=O)C[C@H]3C2)c1O	895575573	HXJJUPWYRCDHPD-IYBDPMFKSA-N	288.391	1.865	10	20	CDCD	
COc1ccc(CNC(=O)[C@@H]2CCO[C@@H]2C)c(O)c1	794372580	BBHKNYSSEKINIS-BXKDBHETSA-N	265.309	1.442	10	20	CDCD	
COc1ccc(CNC(=O)c2ccc(C)nc2O)c(O)c1	794370612	QSLNZZDUGWGAKI-UHFFFAOYSA-N	288.303	1.740	10	20	CDCD	
CCn1ncnc1CNCc1cc(C)c(C)cc1O	793346435	PQCSFSJZGOYMPT-UHFFFAOYSA-N	260.341	1.910	10	20	CDCD	
CC[C@H](C)[C@H](OC)C(=O)OCC(=O)c1ccc(O)c(O)c1	795999668	ZTXOTDZPSSWHAS-XPTSAGLGSA-N	296.319	1.885	10	20	CDCD	
COc1ccc(CNC(=O)CCCCN)c(O)c1	83392305	QGNNMBBJRCDPBF-UHFFFAOYSA-N	252.314	1.146	10	20	CDCD	
Nc1ccc(CNC(=O)NC[C@@H]2CCCOC2)cc1	1336225985	VBYHHAFZGNDTAY-LBPRGKRZSA-N	263.341	1.495	10	20	CDCD	
CCOc1ccc(N2CCN([C@@H](CC)C(N)=O)CC2)cc1	1253448960	JBHMGORGZCSFQH-HNNXBMFYSA-N	291.395	1.471	10	20	CDCD	
CN(C)c1ccc(CN=c2nc[nH]n2CC2CC2)cc1F	1262681342	JLNFGLAYLPXTAK-UHFFFAOYSA-N	289.358	1.927	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)C(=O)N1CCCCCC1	1344598571	BNAVXRNBHPIVCI-UHFFFAOYSA-N	290.363	1.753	10	20	CDCD	
CC[C@H]1CN(C(=O)NCc2ccc(N)cc2)C[C@H](C)O1	1357792203	UOEQNWDCTNOFCH-FZMZJTMJSA-N	277.368	1.978	10	20	CDCD	
CCC1(CNC(=O)c2cccc(O)c2O)COC1	836990923	FXRQTNXHPMVPKF-UHFFFAOYSA-N	251.282	1.254	10	20	CDCD	
Cc1cc(O)c(CNC[C@H]2CCO[C@H]2C(=O)O)c(Cl)c1	1600285928	IOYVUKBPTBRRBO-NOZJJQNGSA-N	299.754	1.933	10	20	CDCD	
C[C@H](O)C[C@H](C)N[C@H](C)c1cccc(-c2nn[nH]n2)c1O	1603695268	JPFGAOHEZUFAJK-LPEHRKFASA-N	291.355	1.382	10	20	CDCD	
CCOc1ccc(O)c(CN[C@](C)(COC)CC(=O)O)c1	1610042520	ITVUITRHTFMWRS-HNNXBMFYSA-N	297.351	1.760	10	20	CDCD	
COc1cccc(O)c1CN[C@H]1CC=C(C(=O)O)C1	1599680159	CTUBZOLKFRAOFI-JTQLQIEISA-N	263.293	1.664	10	20	CDCD	
CN(C)c1ccc2c(c1)CN(C[C@](C)(O)C(=O)O)CCC2	1777041194	JILAGBQNDPIKJC-INIZCTEOSA-N	292.379	1.336	10	20	CDCD	
N[C@H]1CC[C@H](C(=O)NCCc2ccc(O)c(O)c2)CC1	1580415073	DPYPGTPEGIGHCU-HAQNSBGRSA-N	278.352	1.274	10	20	CDCD	
CCOc1cccc(CN[C@H](CCO)COC)c1O	219141272	SVRMBDTVJPKDFW-GFCCVEGCSA-N	269.341	1.278	10	20	CDCD	
O=C(CNCc1ccc(N2CCCC2)cc1)NC1CC1	37262890	XRLKGTQPQDROEO-UHFFFAOYSA-N	273.380	1.655	10	20	CDCD	
C[C@H](CN1CCCC1=O)NCc1ccc(N(C)C)cc1	37782476	HIUMPHIQYDNYKA-CYBMUJFWSA-N	275.396	1.853	10	20	CDCD	
COc1cccc(CNC2(CN(C)C)CCC2)c1O	393478410	INQYJTYAMPHEGH-UHFFFAOYSA-N	264.369	1.975	10	20	CDCD	
CN1c2ccccc2C(=O)N[C@@H]1c1ccc(O)c(O)c1	301583334	WUQJYIOEQJAACD-AWEZNQCLSA-N	270.288	1.976	10	20	CDCD	
C[C@@H](CC[S@](C)=O)NCc1ccc2c(c1)CCO2	122753940	FPOOSGTWBWQBEB-BBATYDOGSA-N	267.394	1.868	10	20	CDCD	
CCC(O)(CC)CNC(=O)/C=C/c1ccc(O)c(O)c1	180819297	YMUXBILXRIUPGQ-SOFGYWHQSA-N	279.336	1.778	10	20	CDCD	
COCCC1(C(=O)NCc2cc(OC)ccc2O)CC1	121774247	OOAHGCHYPIYEJP-UHFFFAOYSA-N	279.336	1.834	10	20	CDCD	
Cc1ccc([C@@H](C)NCC(C)(C)C(N)=O)c(O)c1	186221559	RVWLMTIYHBAQSD-SNVBAGLBSA-N	250.342	1.863	10	20	CDCD	
CCOCCN(C)C(=O)c1ccc(C)c(O)c1O	182980913	XSKNPVRHOSJUID-UHFFFAOYSA-N	253.298	1.515	10	20	CDCD	
Cc1ncc(C(=O)NCCc2ccc(O)c(O)c2)s1	179091247	XVJYKTRYHZTMFN-UHFFFAOYSA-N	278.333	1.835	10	20	CDCD	
COc1ccc(O)c(CNCc2nc(N(C)C)no2)c1	191898765	QQTSOWFWOBCNMX-UHFFFAOYSA-N	278.312	1.140	10	20	CDCD	
CN1CCC(C(=O)NCc2ccc(N(C)C)cc2)CC1	146559694	AYAJVYSQYHJJIM-UHFFFAOYSA-N	275.396	1.711	10	20	CDCD	
C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)Cc1ccccc1O	179575579	JXYBWWVDSSJGOM-WDEREUQCSA-N	271.382	1.646	10	20	CDCD	
CC(C)[C@@H](CCO)NC(=O)c1cccc(O)c1O	230107635	LWNJFZDGMGUESA-SNVBAGLBSA-N	253.298	1.235	10	20	CDCD	
Cc1ccc(O)c(CN2CCC(N(C)CCCO)CC2)c1	93412951	ZWEAZTSIVJEHNV-UHFFFAOYSA-N	292.423	1.979	10	20	CDCD	
CN1CCN(C(=O)Cc2ccc(N)cc2)c2cccnc21	269268255	QPCILXDRUBDOCC-UHFFFAOYSA-N	282.347	1.689	10	20	CDCD	
CN1CCC(N(CCO)Cc2ccccc2O)CC1	269364337	PZLXULWLYMLGCU-UHFFFAOYSA-N	264.369	1.281	10	20	CDCD	
CCN(CC)C(=O)N1CCN(Cc2ccccc2O)CC1	271276522	NAOHWOYCTZUAME-UHFFFAOYSA-N	291.395	1.972	10	20	CDCD	
COc1cccc(CNC(=O)[C@H]2CC23CCOCC3)c1O	364394299	UYGDJANSTPISPH-GFCCVEGCSA-N	291.347	1.834	10	20	CDCD	
CC(C)[C@@H](N)C(=O)NCc1c(O)ccc2c1CCCC2	292641885	ZRMWUIWHVGDEIU-OAHLLOKOSA-N	276.380	1.871	10	20	CDCD	
O=C(Nc1cc2ccccn2n1)c1cccc(O)c1O	804376453	CVDUFBZKPKUDNB-UHFFFAOYSA-N	269.260	1.998	10	20	CDCD	
Cn1[nH]nnc1=NCc1cc(Cl)cc(Cl)c1O	808088887	FIOWWSKZHVTMEU-UHFFFAOYSA-N	274.111	1.257	10	20	CDCD	
COCCCN(C)CCN[C@H]1CCc2cccc(O)c21	297710209	MTLQTQHEWGYJBQ-AWEZNQCLSA-N	278.396	1.937	10	20	CDCD	
CC[C@@H](CNS(C)(=O)=O)NCc1cc(C)ccc1O	295041393	MQMPANMLAXTFBL-LBPRGKRZSA-N	286.397	1.118	10	20	CDCD	
C[C@H](CNC(=O)c1cc(O)cs1)c1nncn1C	807355779	YMJIVFJBFFTZMD-SSDOTTSWSA-N	266.326	1.116	10	20	CDCD	
CC(=O)C(=O)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1	808021436	MUPSNVKVCSERGL-UHFFFAOYSA-N	273.248	1.616	10	20	CDCD	
CCOc1ccc(CN2CC[C@@](F)(CO)C2)c(O)c1	802660833	XIYSVLRZOMPPHR-AWEZNQCLSA-N	269.316	1.697	10	20	CDCD	
CCOc1ccccc1C(=O)OCC(=O)C(C)=O	808488762	ODXHAXHAPQOXEN-UHFFFAOYSA-N	250.250	1.400	10	20	CDCD	
COC(=O)c1ccc(C(=O)N(C)Cc2ccccc2O)[nH]1	815796730	JFOOSFTWANDBAX-UHFFFAOYSA-N	288.303	1.779	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)CN1CCCC1	820035619	PJOFQNWHFCDCJT-UHFFFAOYSA-N	275.396	1.773	10	20	CDCD	
CO[C@@H]1COCC[C@H]1CNC(=O)c1ccc(C)c(O)c1O	836814935	NKIZZKKGRNTHTN-CMPLNLGQSA-N	295.335	1.188	10	20	CDCD	
O=C(CC[C@@H]1CCOC1)NCc1ccc(O)cc1O	910950853	KYUPFQXZJHYMOL-SNVBAGLBSA-N	265.309	1.531	10	20	CDCD	
CC(C)OCCCC(=O)NCc1ccc(O)cc1O	910949130	FTMGRRYYZVTSSJ-UHFFFAOYSA-N	267.325	1.919	10	20	CDCD	
COc1cccc([C@H](C)N[C@@H](C)C(=O)NCCF)c1O	846168311	RYIVIIWDWSDJKM-UWVGGRQHSA-N	284.331	1.526	10	20	CDCD	
C[C@@H]([C@@H](C)NC(=O)Nc1ccc(N)cc1)N1CCOCC1	841299901	JREXHJYHLIPRAN-NEPJUHHUSA-N	292.383	1.500	10	20	CDCD	
C[C@@]1(CN)CCN(Cc2cc3c(cc2O)OCO3)C1	843117380	PCFPGQHWLZIZGX-AWEZNQCLSA-N	264.325	1.292	10	20	CDCD	
CCN(C[C@@H]1CCC(=O)N1)c1ccc(OC)c(OC)c1	844305140	OXICVNKAMAIYQN-NSHDSACASA-N	278.352	1.809	10	20	CDCD	
COc1ccc(N(C)CCN(C)C(=O)[C@H](O)C(C)C)cc1	846442169	KXOVEICCTXCTDD-OAHLLOKOSA-N	294.395	1.607	10	20	CDCD	
CCOCCN1CCN(c2ccc(OC)cc2OC)CC1	846745424	GWQFJBZHPVPDBD-UHFFFAOYSA-N	294.395	1.862	10	20	CDCD	
CN(C)c1ccc([C@@H](N)CNC(=O)C[C@@H]2CCCN2)cc1	841846063	JKWPYEQWQJCFSZ-ZFWWWQNUSA-N	290.411	1.011	10	20	CDCD	
CCC[C@H](O)C(=O)NC[C@H](N)c1ccc(N(C)C)cc1	911668245	XFKFMYMMIZDNMB-KBPBESRZSA-N	279.384	1.030	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN[C@H](CO)[C@@H]1CCCOC1	840964249	VIEPOXBNNURQAI-NVXWUHKLSA-N	292.423	1.938	10	20	CDCD	
CC(=O)N[C@@H](C(=O)NCc1cc(Cl)ccc1O)C(C)C	846478330	BSWRGXTURPJACA-CYBMUJFWSA-N	298.770	1.823	10	20	CDCD	
CN1C(=O)C(=Cc2ccccc2C2CC2)C(=O)N(C)C1=O	750818555	WLWCXNHRGFOKGA-UHFFFAOYSA-N	284.315	1.998	10	20	CDCD	
COC(=O)[C@@H]1CCN(C(=O)c2cc(O)cs2)C[C@@H]1C	856084915	UQHFORPNSYQZLF-WCBMZHEXSA-N	283.349	1.725	10	20	CDCD	
CN(C)c1ccc(CNC(=O)Cc2ncc[nH]2)cc1	854271130	WWGCOQMZQUDHOU-UHFFFAOYSA-N	258.325	1.335	10	20	CDCD	
Cn1cc(COC(=O)/C=C\c2ccc(O)c(O)c2)cn1	759595895	RVCXPDNFMNYFOB-HYXAFXHYSA-N	274.276	1.588	10	20	CDCD	
C[C@@H](NC(=O)N[C@H]1C[C@H](O)C1)c1ccc(N(C)C)cc1	854005195	PCQANYKUFIGDNH-MPKXVKKWSA-N	277.368	1.636	10	20	CDCD	
Nc1ccc(CNC(=O)c2cnn(CC3CC3)c2)cc1	868060825	DLPYUMGZLPPPFB-UHFFFAOYSA-N	270.336	1.805	10	20	CDCD	
CCC[C@H](O)CNCc1ccc(N2CCC(O)CC2)cc1	877028041	WVEIETMXKKVICC-KRWDZBQOSA-N	292.423	1.898	10	20	CDCD	
Cc1ccc(CN2CCC(S(C)(=O)=O)CC2)c(O)c1	876763370	DZHWCIJCNQHKAD-UHFFFAOYSA-N	283.393	1.710	10	20	CDCD	
CNC(=O)[C@@H]1CCC[C@H]1NCc1ccc2c(c1)CCO2	765797082	PJFNSSOZOYUJNX-ZIAGYGMSSA-N	274.364	1.626	10	20	CDCD	
COC1(CNCc2c(C)cccc2O)CCOCC1	877113257	FSRJFNGEULOWNZ-UHFFFAOYSA-N	265.353	1.986	10	20	CDCD	
C[C@@H](NC(=O)C1CCCC1)C(=O)N(C)c1ccc(N)cc1	877080502	JXOLWWCYTXSUTG-LLVKDONJSA-N	289.379	1.927	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](C)N(C)C	773747721	GGOWRNJUIQJFFP-UWVGGRQHSA-N	266.341	1.095	10	20	CDCD	
CN(C(=O)[C@H]1C[C@]12CCCNC2)c1ccc(N)cc1	877074431	KHNSPTHLGYDHNJ-HIFRSBDPSA-N	259.353	1.621	10	20	CDCD	
CCc1cc(C(=O)NCc2ccccc2O)cc(O)n1	778388196	DZAJGLPSYYPHPV-UHFFFAOYSA-N	272.304	1.985	10	20	CDCD	
CCN(C)c1ccc(CN(CCO)CCCOC)cc1	773889408	UWXOJVSJLVXWQL-UHFFFAOYSA-N	280.412	1.974	10	20	CDCD	
CCCN(C)C(=O)CN(CC(=O)O)c1ccc(OC)cc1	872918960	XBNFRIZEUZVQJU-UHFFFAOYSA-N	294.351	1.455	10	20	CDCD	
Oc1ccc(F)cc1CNCc1nnnn1CC1CC1	770668185	KWCALLLIZASBPG-UHFFFAOYSA-N	277.303	1.218	10	20	CDCD	
CN(C)c1ccc(Cn2cc(CCCN)nn2)cc1	881272027	JIDMUUVHMKVSCS-UHFFFAOYSA-N	259.357	1.284	10	20	CDCD	
CO[C@@H](C)CN(C)C(=O)NCc1ccc(N)cc1	1120592042	PTTKHVGKWIDBKR-JTQLQIEISA-N	251.330	1.445	10	20	CDCD	
OC[C@]12C[C@@H]1CN(Cc1cc(Br)ccc1O)C2	783741164	LADSUPAPDUPJSR-ZWNOBZJWSA-N	298.180	1.969	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@H]2CCC(=O)N2C)cc1F	783943598	YSGQZYKUMXJFMV-ZDUSSCGKSA-N	293.342	1.129	10	20	CDCD	
COc1cc(C)cc(CNCCCO[C@@H]2CCOC2)c1O	894331298	DOBCRNZLNQHBRI-CQSZACIVSA-N	295.379	1.994	10	20	CDCD	
CCOc1ccc(CN2[C@@H](C)[C@@H](C)NC(=O)[C@H]2C)c(O)c1	895113669	JTMZYKJCHXJYDT-GRYCIOLGSA-N	292.379	1.888	10	20	CDCD	
COc1ccc(CNCCNC(=O)C2(CF)CC2)cc1C	1133635734	PLQGKRFFXMJXLC-UHFFFAOYSA-N	294.370	1.959	10	20	CDCD	
O=C(Nn1cc(Br)cn1)c1cccc(O)c1O	790903531	JMZVXCGRURAPRG-UHFFFAOYSA-N	298.096	1.441	10	20	CDCD	
COc1ccc(CNC(=O)NCC(F)F)c(O)c1	792973038	ZTFMVDYWAPAEBC-UHFFFAOYSA-N	260.240	1.465	10	20	CDCD	
CC[C@@H](NCC(=O)NC(C)C)c1ccccc1O	36781520	LTLYNFMNPCXMHQ-GFCCVEGCSA-N	250.342	1.958	10	20	CDCD	
COc1cccc(CN(C)Cc2nccn2C)c1O	134109364	XPLJZTUBHNFZGL-UHFFFAOYSA-N	261.325	1.766	10	20	CDCD	
COc1cc(O)c(CNC[C@@H](C)C(=O)O)cc1OC	1326837529	VDWYCABWCQREEU-MRVPVSSYSA-N	269.297	1.220	10	20	CDCD	
Cc1ccc(O)c(CN(CCS(C)(=O)=O)C(C)C)c1	93708098	CFGNCQSTOCWDIB-UHFFFAOYSA-N	285.409	1.956	10	20	CDCD	
NC[C@H](NC(=O)NCc1ccc(N)cc1)C1CCCC1	1336238092	BABXUURDQSPTHW-AWEZNQCLSA-N	276.384	1.586	10	20	CDCD	
CN(C)c1ccc(CNC[C@@](C)(O)C(F)F)cc1	698657624	WRBNNDRNTBDHPN-CYBMUJFWSA-N	258.312	1.858	10	20	CDCD	
COC1(C(=O)NCc2cccc(O)c2O)CCC1	1348048571	VJNBORYLHXYYBT-UHFFFAOYSA-N	251.282	1.283	10	20	CDCD	
CCCc1c(C(=O)OCC(=O)C(C)=O)[nH]c(C)c1C(=O)O	1605371324	LLFROGVXYMETRK-UHFFFAOYSA-N	295.291	1.289	10	20	CDCD	
O=C(O)[C@H](C[C@@H]1CCCOC1)NCc1cccc(F)c1O	1601642836	QQGXJXPUGYQOHS-GWCFXTLKSA-N	297.326	1.891	10	20	CDCD	
Cc1ccc(C(=O)Nc2ccc(C(=O)O)nc2)c(O)c1O	1600344022	PXABCNFGJVKLJC-UHFFFAOYSA-N	288.259	1.752	10	20	CDCD	
COc1ccc(CNc2ncccc2-c2nn[nH]n2)c(O)c1	1609356084	NHNMOEPJPYQCFD-UHFFFAOYSA-N	298.306	1.588	10	20	CDCD	
CN(CC(=O)O)C(=O)c1cc2cc(O)c(O)cc2s1	1593721095	QDABFRRSJFKCNL-UHFFFAOYSA-N	281.289	1.469	10	20	CDCD	
CCc1cccc(CN2C[C@@H](C(=O)O)O[C@H](C)C2)c1O	1597586245	BYQZGRCWTGOXQG-MFKMUULPSA-N	279.336	1.629	10	20	CDCD	
CN(C)c1ccc(CN2CCC[C@H](C(N)=O)C2)cc1F	154992350	OAGOCKXYPOGORI-LBPRGKRZSA-N	279.359	1.589	10	20	CDCD	
CCOCCCNC(=O)NCCc1ccc(N)cc1	841619276	LRCQDRONRIERBO-UHFFFAOYSA-N	265.357	1.537	10	20	CDCD	
Nc1ccc(CC(=O)NCC[C@H]2CCCCO2)cc1	223532098	WRMIVMDLVIRCMX-CQSZACIVSA-N	262.353	1.887	10	20	CDCD	
C[C@@H](NCCS(=O)(=O)N(C)C)c1cc(F)ccc1O	230991666	FZVWDYQIIABODD-SECBINFHSA-N	290.360	1.073	10	20	CDCD	
COc1ccc(O)c(CNC[C@@H]2CCCS2(=O)=O)c1	126960200	SVEDYRAJYIIARS-LBPRGKRZSA-N	285.365	1.068	10	20	CDCD	
CC(C)C[C@H](CN(C)C)NC(=O)Cc1ccc(N)cc1	37001268	DPSVMACQUIMVFT-OAHLLOKOSA-N	277.412	1.904	10	20	CDCD	
Oc1ccc(F)cc1CN1CC[C@@H](N2CCNCC2)C1	312241575	KDNDQGOYCOSGRP-CQSZACIVSA-N	279.359	1.011	10	20	CDCD	
CC(=O)N1CCC(NCc2cc(F)cc(F)c2O)CC1	708560404	ZKYGZOYRKZLHDU-UHFFFAOYSA-N	284.306	1.771	10	20	CDCD	
COc1cccc(CNC(=O)c2cncnc2C)c1O	105651292	ZSQKCUQJQJHQFM-UHFFFAOYSA-N	273.292	1.429	10	20	CDCD	
Cc1ccc(C(=O)NC[C@@H]2CCCO2)c(O)c1O	177658856	POTUGFDVVOSNGT-VIFPVBQESA-N	251.282	1.315	10	20	CDCD	
COc1cccc(CN[C@@H](C)[C@@H](CO)SC)c1O	152437089	ALSVUEXSBVMSPG-JOYOIKCWSA-N	271.382	1.603	10	20	CDCD	
C[C@@H](NCCOCCO)c1cc2c(cc1O)CCCC2	184886898	ZYFAFEAJRJCSNJ-GFCCVEGCSA-N	279.380	1.931	10	20	CDCD	
Cn1ncnc1SCC(=O)c1ccc(O)c(O)c1	185753883	AVHWLYRBSATHCF-UHFFFAOYSA-N	265.294	1.201	10	20	CDCD	
COc1cccc(CN2CCNC(=O)[C@H]2CC(C)C)c1O	188920379	ZQPWRYZSYWXNMR-CYBMUJFWSA-N	292.379	1.747	10	20	CDCD	
CO[C@@]1(CNCc2cccc(C)c2O)CCOC1	126978784	KFSAWVYHPVIWTL-CQSZACIVSA-N	251.326	1.596	10	20	CDCD	
CN(C)C(=O)CCNCc1cc(Cl)ccc1O	37751575	PJGQHDJTTREWAL-UHFFFAOYSA-N	256.733	1.614	10	20	CDCD	
COc1cccc(CN2CCN(C(C)=O)CC2(C)C)c1O	184724098	DNHXSIDKLCKETO-UHFFFAOYSA-N	292.379	1.844	10	20	CDCD	
CC[C@@](NC(=O)c1ccc(C)c(O)c1O)(C(N)=O)C(C)C	180303986	GYUMREGXTSVEJA-HNNXBMFYSA-N	294.351	1.426	10	20	CDCD	
CCC[C@@H](NC(=O)Cc1ccc(N)cc1)C(=O)O	40483017	KTYKPLLBTIVGED-LLVKDONJSA-N	250.298	1.181	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@]2(C)CCCNC2)cc1F	237084451	MRLRAHNQNYNYBI-INIZCTEOSA-N	293.386	1.898	10	20	CDCD	
COc1cccc(CN2CC[C@H](n3cncn3)C2)c1O	364514570	XYEFSIPFAQXRTJ-LBPRGKRZSA-N	274.324	1.439	10	20	CDCD	
CN(C[C@@H](O)CN(C)C1CC1)c1ccc2c(c1)OCO2	289402722	SVOFWSBNHZFZSJ-ZDUSSCGKSA-N	278.352	1.307	10	20	CDCD	
CCCN(Cc1cc(C)ccc1O)[C@H]1CC(=O)N(C)C1=O	282952322	HIKMFQYNMZKESF-ZDUSSCGKSA-N	290.363	1.670	10	20	CDCD	
Cc1cnn([C@H]2CCN(C(=O)c3cccc(O)c3O)C2)c1	290884618	AFXVRUNHWJFJEN-NSHDSACASA-N	287.319	1.690	10	20	CDCD	
CC[C@H](NCc1nnn(C)n1)c1cccc(Cl)c1O	806162978	KNLGMCYQAQQGJR-JTQLQIEISA-N	281.747	1.810	10	20	CDCD	
CN(C)c1ccc(CNCc2cn(C)cn2)cc1F	808384074	ARGYAMSUVXYMBS-UHFFFAOYSA-N	262.332	1.915	10	20	CDCD	
CC(C)ONC(=O)NCc1ccc(N(C)C)cc1	295837265	DASJWOIJCLZDQO-UHFFFAOYSA-N	251.330	1.892	10	20	CDCD	
O=C1CC[C@@H](C(=O)NCc2ccc(N3CCCC3)cc2)N1	299304874	UMPDVZDJEMBXFU-AWEZNQCLSA-N	287.363	1.182	10	20	CDCD	
C[C@@H](NC[C@H](O)CN(C)C1CC1)c1ccc(N(C)C)cc1	809981040	XTQKXNWQHHJULL-DYVFJYSZSA-N	291.439	1.858	10	20	CDCD	
COC(=O)N1CC(C)(NCc2cc(F)ccc2O)C1	813328339	PDSUYSZZZWSDOM-UHFFFAOYSA-N	268.288	1.462	10	20	CDCD	
C[C@@H](NC(=O)[C@@]1(O)CCSC1)c1ccccc1O	827941312	PWBWSRYSEUWOOU-NOZJJQNGSA-N	267.350	1.437	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNCCOCCF)c1O	827949224	LNEDDUOIVIQIKG-UHFFFAOYSA-N	288.275	1.385	10	20	CDCD	
Cc1ncccc1/C=C1/SC(=S)N(CC(N)=O)C1=O	728982617	JSMLNNPYSZKNLR-WEVVVXLNSA-N	293.373	1.077	10	20	CDCD	
CN1[C@H]2CC[C@H]1CN(C(=O)c1cc(O)cs1)CC2	829400357	XLNRIAAEKVQBCU-UWVGGRQHSA-N	266.366	1.762	10	20	CDCD	
CN(C)S(=O)(=O)Nc1cc(F)c(O)cc1Cl	901962217	CREAOCIUBISEGB-UHFFFAOYSA-N	268.697	1.403	10	20	CDCD	
Cc1cncc(C(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)c1	832274831	ZNYBBTZSCXHBLZ-MRXNPFEDSA-N	298.390	1.886	10	20	CDCD	
CN1CC[C@H](NCc2ccc(N(C)C)c(F)c2)C1	733327254	QOTCCYLKWIWBIV-LBPRGKRZSA-N	251.349	1.685	10	20	CDCD	
CCOc1ccc(O)c(CN2CC[C@@H](N)[C@H](C)C2)c1	843052439	UDJWKNBGRRPBPM-BXUZGUMPSA-N	264.369	1.960	10	20	CDCD	
CCONC(=O)CNCc1cc(Cl)cc(OC)c1O	846091453	MLAZPGADIBNKSO-UHFFFAOYSA-N	288.731	1.212	10	20	CDCD	
C[C@H]1CSCCN(C(=O)C(=O)Nc2ccc(N)cc2)C1	841117468	VMLNMYIEDUXVPO-SNVBAGLBSA-N	293.392	1.419	10	20	CDCD	
NCC(F)(F)CNCc1cccc(Br)c1O	841059644	JFIARBHGZCQETO-UHFFFAOYSA-N	295.127	1.838	10	20	CDCD	
C[C@H]1CC[C@@H](C)N1C(=O)C(=O)Nc1ccc(N)cc1	841113186	QMPVHILEFZIVOY-AOOOYVTPSA-N	261.325	1.607	10	20	CDCD	
CN[C@@H](C)C(=O)NC1CCN(c2ccc(OC)cc2)CC1	848414262	XMBYCGLHEADNAN-LBPRGKRZSA-N	291.395	1.388	10	20	CDCD	
CCS(=O)(=O)CCCN[C@@H]1CCc2cccc(O)c21	840889635	SYXUVNDZHJBOPG-GFCCVEGCSA-N	283.393	1.794	10	20	CDCD	
CN1CC[C@@H](C(=O)NCc2cc(Cl)ccc2O)CC1=O	846474112	ZHIQKMODGLZCTG-SECBINFHSA-N	296.754	1.530	10	20	CDCD	
COc1ccc(CNC(=O)N[C@@H](C)CCCCN)c(O)c1	841994092	HXFRQFAOVBFPNO-NSHDSACASA-N	295.383	1.718	10	20	CDCD	
C[C@@H](N)[C@H]1CCCCN1Cc1cc2c(cc1O)OCO2	843045915	LSURCZVODUNGJM-ZYHUDNBSSA-N	278.352	1.823	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N2CC[C@@H](CN)C2)cc1F	841758323	ANBZVBNAKCJXQE-LBPRGKRZSA-N	294.374	1.382	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N2CCNC(C)(C)C2)cc1	841656155	WWVJNBYNECSYKQ-UHFFFAOYSA-N	290.411	1.646	10	20	CDCD	
C[C@@H](NC[C@@H](O)COCC1CC1)c1cc(F)ccc1O	756511988	UKFBWYLWHJMVCY-ZWNOBZJWSA-N	283.343	1.969	10	20	CDCD	
Cc1cnc(CNCc2ccc(N3CCOCC3)cc2)[nH]1	850069700	OWBVEFAPZWZJDW-UHFFFAOYSA-N	286.379	1.845	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1C[C@H]2CC[C@H]1[C@@H](O)C2	925056918	KYRYYHJFPCEARB-AZIUFKSLSA-N	289.331	1.483	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@H]2CCCNC2=O)cc1F	865051497	MJHRPJATSKUTKT-NSHDSACASA-N	293.342	1.034	10	20	CDCD	
CCCOc1ccc(CNC[C@H](O)CO)cc1C	873116841	OEKBFLMZGBDGDW-ZDUSSCGKSA-N	253.342	1.227	10	20	CDCD	
CCc1nn(C)c(OC)c1CNC(=O)c1cc(O)cs1	772939580	VVKGDYIZBJPVFB-UHFFFAOYSA-N	295.364	1.688	10	20	CDCD	
C[C@@H](NCC(=O)N=[S@](C)(=O)N(C)C)c1ccccc1O	879650119	JQPNDOSDOKHMKJ-SBKAZYGRSA-N	299.396	1.144	10	20	CDCD	
COC1(C)CN(C(=O)/C=C\c2ccc(O)c(O)c2)C1	779541265	XIGZFWZPXYVJHT-XQRVVYSFSA-N	263.293	1.358	10	20	CDCD	
Cn1ccnc1[C@@H]1CCN(C(=O)NCc2ccc(N)cc2)C1	1120677686	WVMOOCSUBBAVKH-CYBMUJFWSA-N	299.378	1.701	10	20	CDCD	
COc1ccc(CNCCNC(=O)[C@H]2CCCO2)cc1C	1123127891	RBVULMZNGDRBRP-OAHLLOKOSA-N	292.379	1.388	10	20	CDCD	
COc1ccc(CN2CCC[C@@](C)(O)C2)c(O)c1OC	892091972	QKOKSMIABLHFBI-OAHLLOKOSA-N	281.352	1.756	10	20	CDCD	
CON(C)C(=O)CNCc1cc(Cl)c(C)cc1O	895045448	KBKLBLXYKYGRJH-UHFFFAOYSA-N	272.732	1.463	10	20	CDCD	
COc1cc(C)cc(CN2C[C@@H](O)C[C@]2(C)CO)c1O	895323221	AWZVWNBYUMAOPL-SWLSCSKDSA-N	281.352	1.027	10	20	CDCD	
COCC[C@@H]1COCCN1Cc1cc(F)cc(F)c1O	894818173	OXZPNHDJVRLKKN-GFCCVEGCSA-N	287.306	1.908	10	20	CDCD	
COC(=O)c1ccc(C(=O)NCc2ccccc2O)o1	1319391877	RLGCUHSVWCVPAB-UHFFFAOYSA-N	275.260	1.702	10	20	CDCD	
CCc1cccc(CNCC(=O)NCC(F)(F)F)c1O	709487313	ZMBORECIYTWTGP-UHFFFAOYSA-N	290.285	1.723	10	20	CDCD	
O=C(OCC[C@H]1CCOC1)c1cccc(O)c1O	1324664872	CNRADMPFFIDGHY-SECBINFHSA-N	252.266	1.681	10	20	CDCD	
C[C@@H](NC[C@H]1CN(C)C(=O)O1)c1ccccc1O	1330706364	QGSBLXPMDFXSMK-ZJUUUORDSA-N	250.298	1.493	10	20	CDCD	
CCOc1cccc(CNC[C@H](C)CNC)c1O	1348515832	QFEIFNSXPYHVTN-LLVKDONJSA-N	252.358	1.736	10	20	CDCD	
O=C(NCc1c(O)cccc1F)NC[C@H]1C[C@H]1C(=O)O	1601530675	NTAUCQGJAXFCHD-HTQZYQBOSA-N	282.271	1.051	10	20	CDCD	
C[C@H](N)CCN[C@H](C)c1cc(C(=O)O)ccc1O	1604342455	WJAFWYFJRFFVHC-DTWKUNHWSA-N	252.314	1.478	10	20	CDCD	
O=C(O)C[C@@H]1CC[C@H](NCc2cc3c(cc2O)OCO3)C1	1602112924	RCPOSJWHBQUJBY-KOLCDFICSA-N	293.319	1.854	10	20	CDCD	
O=C(O)[C@@H]1CCCN(Cc2cc(F)c(F)cc2O)C1	1606382709	IODOMOSWHVBXRT-MRVPVSSYSA-N	271.263	1.967	10	20	CDCD	
Cc1cc(O)c(CNCC2[C@H]3CNC[C@H]23)cc1Cl	1579638332	XDCBROFXHDYSME-VXGBXAGGSA-N	266.772	1.909	10	20	CDCD	
NC1CCN(CCNCc2cccc(F)c2O)CC1	1580189047	GVDYAPKKIVWUFS-UHFFFAOYSA-N	267.348	1.044	10	20	CDCD	
CCCN(C(=O)/C=C/c1ccc(O)c(O)c1)[C@H](C)C(=O)O	1595817968	ZBGQHHURFPYTAL-BREXMAIKSA-N	293.319	1.823	10	20	CDCD	
COc1cccc(O)c1CN1CCSC[C@@H](C(=O)O)C1	1599680368	NBWMIFDIJIEJSU-JTQLQIEISA-N	297.376	1.650	10	20	CDCD	
C[C@H]1CN(CCN(C)Cc2ccccc2O)C[C@H](C)O1	851840402	FWYHVWUYZWIVFR-KBPBESRZSA-N	278.396	1.933	10	20	CDCD	
CO[C@@]1(CNCc2ccc(N(C)C)cc2)CCOC1	122972546	SJFXPEMSGFHNCG-OAHLLOKOSA-N	264.369	1.648	10	20	CDCD	
Cc1cccc(CN2CCC[C@@H](S(C)(=O)=O)C2)c1O	274128632	OPBSTEWRVJVGGE-CYBMUJFWSA-N	283.393	1.710	10	20	CDCD	
COCC[C@@](C)(O)CN[C@H](C)c1cc(OC)ccc1O	185467238	KUIUMFHEWBPUMN-IAQYHMDHSA-N	283.368	1.839	10	20	CDCD	
Cc1ccc(O)c(CNC[C@H]2CN(C)CCN2C)c1	68800648	SKOHVERWFZRSOO-AWEZNQCLSA-N	263.385	1.036	10	20	CDCD	
O=C(NCCC[C@H]1CCOC1)c1cccc(O)c1O	401402816	PBWBDNQGCMPZQU-JTQLQIEISA-N	265.309	1.644	10	20	CDCD	
COCC(COC)NCc1ccc(OC)c(C)c1	388410820	XQVNJZMGZZMDAC-UHFFFAOYSA-N	253.342	1.755	10	20	CDCD	
CC1(O)CCN(Cc2cc3c(cc2O)OCO3)CC1	177191198	KPJDPEHLJYJJLF-UHFFFAOYSA-N	265.309	1.468	10	20	CDCD	
COc1ccc(O)c(CNC(=O)C2(O)CCCC2)c1	114542589	BMXJXPMAJWPFQH-UHFFFAOYSA-N	265.309	1.322	10	20	CDCD	
COc1ccc(N(C)CC(=O)NC2CCOCC2)cc1F	121821904	MGPBCTGSAOZQFC-UHFFFAOYSA-N	296.342	1.566	10	20	CDCD	
CCN(C)C(=O)[C@@H](C)NCc1cc(OC)c(OC)cc1O	188046246	WUJCOBRTVSXWJR-SNVBAGLBSA-N	296.367	1.366	10	20	CDCD	
Cc1ccc(C(=O)N2CC[C@@H](C)[C@@H]2CO)c(O)c1O	189512361	GBGSOKDBRGJSBP-KCJUWKMLSA-N	265.309	1.249	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)Nc1ccc(F)nc1	128723590	LFWYWLUSVKOBFW-UHFFFAOYSA-N	291.282	1.996	10	20	CDCD	
CCN(CCO)C(=O)NCc1ccc(N(C)C)cc1	31731090	BTIJNXVZWSSAQG-UHFFFAOYSA-N	265.357	1.276	10	20	CDCD	
Cc1nnc(C(=O)NCc2ccc(O)c(O)c2)s1	183336451	YHCZUUDBFNBWDO-UHFFFAOYSA-N	265.294	1.188	10	20	CDCD	
COCC[C@](C)(O)CNCc1c(O)cccc1Cl	227216751	FXRRBYJZLDCHSB-ZDUSSCGKSA-N	273.760	1.923	10	20	CDCD	
C[C@@H]1CCNC(=O)[C@@H]1NCc1cc(F)ccc1O	195007475	VAZFAXBPTPCLLY-PRHODGIISA-N	252.289	1.146	10	20	CDCD	
CCCOc1ccc(CN[C@H](C)C(=O)OC)c(O)c1	193093274	CAMOIYREXGZZJP-SNVBAGLBSA-N	267.325	1.832	10	20	CDCD	
CN(CCN1CCCC1=O)Cc1cc2c(cc1O)OCO2	93320438	GWUSVIHAUNHGRK-UHFFFAOYSA-N	292.335	1.175	10	20	CDCD	
CC(C)[C@H]1C(=O)NCCN1Cc1cc2c(cc1O)OCO2	93055444	ABGDUERHLVBALG-AWEZNQCLSA-N	292.335	1.077	10	20	CDCD	
Cc1nccn1CC(=O)N(C)Cc1ccccc1O	297354634	HYQNUBGMMXKVAC-UHFFFAOYSA-N	259.309	1.556	10	20	CDCD	
COc1ccc(O)c([C@H](C)N[C@H](C)Cn2cncn2)c1	273364273	BBQTUSFAZCXCEH-MNOVXSKESA-N	276.340	1.732	10	20	CDCD	
C[C@H]1CCCN(C(=O)C(=O)N(C)Cc2ccccc2O)C1	274552410	WWEKWQFUPZDFGF-LBPRGKRZSA-N	290.363	1.609	10	20	CDCD	
Cc1ccc([C@H](C)NC[C@@H](O)c2cnn(C)c2)c(O)c1	273467207	FAVLWSRJDZVKBW-XHDPSFHLSA-N	275.352	1.818	10	20	CDCD	
O=C(NCc1ccccc1O)[C@H]1CCCN1C1CC1	279974855	UOJZGFUBLZKSEQ-CYBMUJFWSA-N	260.337	1.635	10	20	CDCD	
Oc1cc2c(cc1CN(C1CC1)C1COC1)OCO2	296164821	WTIQSCTUBKGUOG-UHFFFAOYSA-N	263.293	1.484	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)Cc1cncn1C	806868133	DJDTXLIZPSEEPG-UHFFFAOYSA-N	286.379	1.653	10	20	CDCD	
CN(C)C1(CNC(=O)c2c(F)ccc(O)c2O)CCC1	296087484	WISJQEZZRUUYGG-UHFFFAOYSA-N	282.315	1.451	10	20	CDCD	
CN(C[C@@H]1CCCN1C)C(=O)c1cc(O)cs1	817770160	GFWDXNAZUSWXHN-VIFPVBQESA-N	254.355	1.620	10	20	CDCD	
CCOC(=O)[C@H]1NCC[C@@H]1NCc1ccc2c(c1)CCO2	817902820	YPSYGLDCYOZKNQ-ZFWWWQNUSA-N	290.363	1.005	10	20	CDCD	
CC[C@@H](O)CNCc1ccc(N2CCOCC2)c(F)c1	817709131	LLVPWUOEUONEAZ-CYBMUJFWSA-N	282.359	1.523	10	20	CDCD	
CCOCC1(C(=O)NCCc2ccc(N)cc2)CC1	818544615	CNWWJNXSMGWCOH-UHFFFAOYSA-N	262.353	1.744	10	20	CDCD	
COC[C@H](O)CNC[C@H]1CCN(c2ccc(OC)cc2)C1	819379362	GEXNWTBDJXOBGW-UKRRQHHQSA-N	294.395	1.118	10	20	CDCD	
COc1ccc(N2CCC(NC(=O)C[C@H](C)N)CC2)cc1	828352708	CDHANPBDNGNOAO-LBPRGKRZSA-N	291.395	1.518	10	20	CDCD	
COCCN(CCC(=O)O)Cc1cc(Cl)ccc1O	904269583	LPJODKRCQRBJGM-UHFFFAOYSA-N	287.743	1.969	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)C[C@@H]2CCC(=O)N2)c1	830541043	RDJKPDFNIYVYIZ-ZJUUUORDSA-N	292.335	1.247	10	20	CDCD	
COc1cccc(CNC(=O)NC[C@@H]2CC[C@@H](C)O2)c1O	838744978	MTSFDHKZRSVGAG-PWSUYJOCSA-N	294.351	1.768	10	20	CDCD	
C[C@@H](CNC(=O)N(C)Cc1ccccc1O)N(C)C	838685865	WNETWVXJRTYDRY-NSHDSACASA-N	265.357	1.484	10	20	CDCD	
CCCOCC(=O)N(CC(=O)O)Cc1ccccc1O	911485782	LETJAGWNZKOHFS-UHFFFAOYSA-N	281.308	1.232	10	20	CDCD	
Cc1ncc(C(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)[nH]1	832274041	RIDXQQDVVFVLMW-CYBMUJFWSA-N	287.367	1.214	10	20	CDCD	
COCC1CN(C(=O)/C=C\c2ccc(O)c(O)c2)C1	911965438	KYICVOQIOQMFPF-HYXAFXHYSA-N	263.293	1.216	10	20	CDCD	
CO[C@]1(C(=O)NCc2ccc(O)cc2O)CCSC1	910955979	INFLLRWPBKYULO-CYBMUJFWSA-N	283.349	1.236	10	20	CDCD	
CCc1ocnc1C(=O)NCCc1ccc(O)c(O)c1	270537618	IPLSOZVYBSKTTG-UHFFFAOYSA-N	276.292	1.621	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)NCC[C@H](C)N	841828546	VFGHHYRJIKPADL-LBPRGKRZSA-N	278.400	1.598	10	20	CDCD	
CNC(=O)N(C)CCN(C)c1ccc(OC)cc1	844282949	XWCYSZKTINJYQO-UHFFFAOYSA-N	251.330	1.403	10	20	CDCD	
CN(Cc1ccc(N2CCOCC2)cc1)C[C@@H]1CCNC1	844220568	IGGXXBDBWWUEQX-MRXNPFEDSA-N	289.423	1.565	10	20	CDCD	
C[C@H]1NCCC[C@@H]1NCc1ccc(N2CCOCC2)cc1	841063975	CYTJNBLIKSPARU-PBHICJAKSA-N	289.423	1.753	10	20	CDCD	
CCOCc1cc(CNC[C@H]2CNCCO2)ccc1OC	841098089	BXYVRJJHEHTHSJ-OAHLLOKOSA-N	294.395	1.310	10	20	CDCD	
Cc1cccc(CNC[C@@H]2CC(=O)N(C3CC3)C2)c1O	846073370	UHASOGAVYCODGT-LBPRGKRZSA-N	274.364	1.801	10	20	CDCD	
COc1cccc(CNCC2(C)CCNCC2)c1O	841057135	MCBNNZGQBPOQOO-UHFFFAOYSA-N	264.369	1.880	10	20	CDCD	
CO[C@H]1C[C@H](NCc2cc([N+](=O)[O-])ccc2O)C1	858322135	OMNCYDZUTSJARR-HOMQSWHASA-N	252.270	1.567	10	20	CDCD	
CC(=O)N1CC[C@@H](N[C@H](C)c2cc(F)cc(F)c2O)C1	857084346	NPCJDVDMVFPWJR-LDYMZIIASA-N	284.306	1.942	10	20	CDCD	
COc1ccc(N(C)CC(=O)Nc2ccon2)c(OC)c1	752123035	PAXDDYDGLMPWJG-UHFFFAOYSA-N	291.307	1.767	10	20	CDCD	
CN(C)c1cc(F)c(CNC[C@@H](O)C2CC2)cc1F	858136145	LKUNSYXAJJSYTK-CQSZACIVSA-N	270.323	1.891	10	20	CDCD	
COc1ccc(N(C)CCN(C)C[C@H]2CCC(=O)O2)cc1	852211529	MJUIAYWBINCTRY-OAHLLOKOSA-N	292.379	1.769	10	20	CDCD	
Cc1cc(O)c(CN2CCN3C(=O)CC[C@H]3C2)cc1C	769205816	ITCJFPCCJOFNIH-AWEZNQCLSA-N	274.364	1.816	10	20	CDCD	
COc1cccc(CN2CCc3c[nH]nc3C2)c1O	769469471	YNTDMRYMEPFUSC-UHFFFAOYSA-N	259.309	1.682	10	20	CDCD	
COc1cc(O)c(CN2CCN(C)[C@@H](C)[C@@H]2C)cc1OC	775986686	RYAPJMKSKNWKML-RYUDHWBXSA-N	294.395	1.934	10	20	CDCD	
CC1(NCc2ccc(N3CCOCC3)c(F)c2)COC1	877691368	NZMPFCTYQKOGAQ-UHFFFAOYSA-N	280.343	1.541	10	20	CDCD	
COC1(CO)CCN(Cc2c(C)cccc2O)CC1	877481822	UIIPAMRDOZAQSW-UHFFFAOYSA-N	265.353	1.674	10	20	CDCD	
Cc1ccc(CNCCCN2CCC(O)CC2)c(O)c1	876966522	SNUNITMQCWRJHJ-UHFFFAOYSA-N	278.396	1.637	10	20	CDCD	
Oc1c(Cl)cccc1CN1C[C@@H]2CC[C@H](C1)N2	873217922	USTGKHLETVUYIR-PHIMTYICSA-N	252.745	1.982	10	20	CDCD	
C[C@@H](NC(=O)N1CCC[C@@H](O)C1)c1ccc(N(C)C)cc1	776242598	AABNCPSTORRGTD-IUODEOHRSA-N	291.395	1.980	10	20	CDCD	
CN(C(=O)[C@@H]1C[C@H]2CC[C@H]1NC2)c1ccc(N)cc1	877075801	HYZKSGOFZBAGAO-LERXQTSPSA-N	259.353	1.620	10	20	CDCD	
CO[C@@H](C(=O)N(C)c1ccc(N)cc1)c1cnn(C)c1	877075567	HAGITVIMBVAPQQ-CYBMUJFWSA-N	274.324	1.353	10	20	CDCD	
CC(=O)NCc1cn(Cc2ccc(N(C)C)cc2)nn1	881272536	ZCHATTONLJFEDE-UHFFFAOYSA-N	273.340	1.029	10	20	CDCD	
CCOC(=O)CN(CC)C(=O)/C=C\c1ccc(O)c(O)c1	779518962	ALTCJSRVMIESMH-VURMDHGXSA-N	293.319	1.523	10	20	CDCD	
Cc1ccc(C(=O)NCCOc2cccnc2)c(O)c1O	780944012	QQJJCXPLOFJAIF-UHFFFAOYSA-N	288.303	1.610	10	20	CDCD	
C[C@H](CCS(C)(=O)=O)NCc1cc(F)cc(F)c1O	883044723	BBKPOXZXYBIAEQ-MRVPVSSYSA-N	293.335	1.583	10	20	CDCD	
CC[C@@H](C(=O)NCc1ccc(OC)cc1O)N(C)C	794380032	WBCLXXDNHARJRK-LBPRGKRZSA-N	266.341	1.357	10	20	CDCD	
COc1ccc(CNC(=O)c2cnc(S)[nH]2)c(O)c1	794390079	HBYQAYNAVGZOSG-UHFFFAOYSA-N	279.321	1.343	10	20	CDCD	
C[C@H](NC[C@H]1CCS(=O)(=O)C1)c1ccccc1O	38082637	FHBGCKWSUQTKMO-WDEREUQCSA-N	269.366	1.478	10	20	CDCD	
[N-]=[N+]=NCCN1CCN(C2CCSCC2)CC1	409424502	CDUKDAUTIDPLBH-UHFFFAOYSA-N	255.391	1.810	10	20	CDCD	
CC1(C)C[C@@H](C(=O)NCc2ccc(O)cc2O)CCO1	1335995295	XOZVYSDVUCGULF-JTQLQIEISA-N	279.336	1.919	10	20	CDCD	
C[C@@H]1CN2CCC[C@@H]2CN1C(=O)Cc1ccc(N)cc1	94456672	PFTWSXAKJXMKFB-IUODEOHRSA-N	273.380	1.506	10	20	CDCD	
COC(=O)c1cnc(SC[C@H]2CCC(=O)O2)s1	1333294411	ZSEAOUBPZMETAM-ZCFIWIBFSA-N	273.335	1.727	10	20	CDCD	
CC1(C)OC[C@@H]2C[C@]21C(=O)NCc1cccc(O)c1O	1352669178	HIJCOKJQBGUFIT-ZUZCIYMTSA-N	277.320	1.529	10	20	CDCD	
O=C(O)C12CC(C(=O)NCc3c(O)cccc3F)(C1)C2	1601729005	XPSDEUDKINJBGY-UHFFFAOYSA-N	279.267	1.402	10	20	CDCD	
C[C@@H](NC1CCC1)c1cccc(-c2nn[nH]n2)c1O	1589957693	SDZZGKZCVAAVTH-MRVPVSSYSA-N	259.313	1.775	10	20	CDCD	
COc1cccc(O)c1CN[C@H]1C[C@@H]2C[C@]2(C(=O)O)C1	1599680602	ZSYOPJAPUJHNPB-FTGAXOIBSA-N	277.320	1.744	10	20	CDCD	
Nc1ccc(CCNC(=O)Cn2cc(C3CC3)nn2)cc1	152591653	YETSKNMNELZZKM-UHFFFAOYSA-N	285.351	1.097	10	20	CDCD	
Oc1ccc(F)cc1CNC[C@@H](O)C(F)(F)F	226586227	JXSCPZNAPMPEFX-SECBINFHSA-N	253.195	1.544	10	20	CDCD	
C[C@H](NCCNC(=O)C1CC1)c1ccc(F)cc1O	168733831	MXJVAGRVMSRFIP-VIFPVBQESA-N	266.316	1.708	10	20	CDCD	
Cc1ccc([C@@H](C)NCCNC(=O)C2CC2)c(O)c1	168734791	MZHSYOSABAENQF-LLVKDONJSA-N	262.353	1.877	10	20	CDCD	
C[C@H](CS(C)(=O)=O)N(C)Cc1ccccc1O	179574846	FWFYGRGNCVEKQE-SNVBAGLBSA-N	257.355	1.257	10	20	CDCD	
COc1ccc(O)c(CN(C)C[C@@H]2CCOC2)c1	180624385	YZXHCYCTRSSINS-NSHDSACASA-N	251.326	1.869	10	20	CDCD	
C[C@@H](NCC(=O)N1CCOCC1)c1ccc(F)cc1O	181233021	PDMJNKDGSDNFNH-SNVBAGLBSA-N	282.315	1.041	10	20	CDCD	
C[C@@H]1CS(=O)(=O)C[C@@H]1NCc1cc(Cl)ccc1O	711696905	NWCULMIMYHDUBL-KCJUWKMLSA-N	289.784	1.568	10	20	CDCD	
O=C(N[C@@H](CCO)C(F)(F)F)c1cccc(O)c1O	854616250	FJEQVHIWVUGOSF-QMMMGPOBSA-N	279.214	1.141	10	20	CDCD	
c1cc(N2CCCC2)ccc1CNc1ccc2nnnn2n1	29625213	PPUKNWZPFFZLNF-UHFFFAOYSA-N	295.350	1.732	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)Cc2cnn(C)c2)c1	170900496	CKPRNPIKRFXRGL-SNVBAGLBSA-N	289.335	1.554	10	20	CDCD	
COc1cccc(CN[C@H](C)[C@H](CO)SC)c1O	152437366	ALSVUEXSBVMSPG-SKDRFNHKSA-N	271.382	1.603	10	20	CDCD	
COc1ccc(N2CCN(Cn3cnnc3)CC2)cc1F	182603772	FXWRHFWMRSPQOZ-UHFFFAOYSA-N	291.330	1.206	10	20	CDCD	
CN1[C@H]2CC[C@@H]1CN(Cc1cc3c(cc1O)OCO3)CC2	72917089	MTIJOQVNPROBRH-QWHCGFSZSA-N	290.363	1.789	10	20	CDCD	
CCCNC(=O)CN[C@@H](CC)c1ccccc1O	36780862	PBCXUKJLYXUTKK-LBPRGKRZSA-N	250.342	1.959	10	20	CDCD	
C[C@]1(O)CCN(Cc2ccc(N3CCOCC3)cc2)C1	180189957	YBMDYJIBISKOAI-INIZCTEOSA-N	276.380	1.480	10	20	CDCD	
CC(=O)N1CCCN(Cc2cc(F)ccc2O)CC1	179894524	VNQZNFCCTFLWPB-UHFFFAOYSA-N	266.316	1.586	10	20	CDCD	
COC(=O)[C@@H](C)NCc1cc(Br)ccc1O	193094500	ALLFRXPECZIWES-SSDOTTSWSA-N	288.141	1.806	10	20	CDCD	
O=[N+]([O-])c1cnc(SCCN2CCOCC2)s1	190311768	XOSNIFYUODGXQK-UHFFFAOYSA-N	275.355	1.476	10	20	CDCD	
CN1CCC[C@@H]1CNCc1ccc(N2CCOCC2)cc1	221163946	RCQBDHDICQPFDE-QGZVFWFLSA-N	289.423	1.707	10	20	CDCD	
CCOCCO[C@@H](C)C(=O)NCc1cccc(OC)c1O	264249911	GDMHSTYUSICFDE-NSHDSACASA-N	297.351	1.459	10	20	CDCD	
C[C@H](CN1CCOCC1)N(C)Cc1cc(F)ccc1O	279479586	TXDWGFRQQAXZBY-GFCCVEGCSA-N	282.359	1.684	10	20	CDCD	
CO[C@H]1CCCC[C@H]1NC(=O)c1cccc(O)c1O	279397776	WFNZXVASAMRRSM-PWSUYJOCSA-N	265.309	1.785	10	20	CDCD	
CCn1cc(-c2n[nH]cc2C(=O)N(C)c2ccn(C)n2)cn1	548307171	LUBYVEBVLFIPIG-UHFFFAOYSA-N	299.338	1.303	10	20	CDCD	
CC(=O)C(=O)CN1C(=O)N[C@](CCC(C)C)(C2CC2)C1=O	289660348	OJQXKOYZWWXCNN-OAHLLOKOSA-N	294.351	1.281	10	20	CDCD	
CC(C)n1cnc(C(=O)NCCc2ccc(O)c(O)c2)c1	282852931	TXHZBIMRGGZIFM-UHFFFAOYSA-N	289.335	1.848	10	20	CDCD	
CCCCN(Cc1ccccc1O)C(=O)[C@@H](C)O	282529541	QHHBWIFMSWMCMJ-LLVKDONJSA-N	251.326	1.902	10	20	CDCD	
CO[C@H](C)c1nsc(NC(=O)c2cccc(O)c2O)n1	802627653	BSMOYQGJPWLMDH-ZCFIWIBFSA-N	295.320	1.909	10	20	CDCD	
C[C@H]1CCS(=O)(=O)CCN1C(=O)c1cc(O)cs1	807415567	XJWXNSSHISZCMN-QMMMGPOBSA-N	289.378	1.103	10	20	CDCD	
CO[C@H]1COC[C@@H]1N[C@@H](C)c1cc(F)ccc1O	290268717	VXZNWLJLSFSXRG-QWRKXWFKSA-N	255.289	1.596	10	20	CDCD	
Cn1cnc(/C=C\C(=O)N2C[C@@H](CO)c3ccccc32)c1	820527853	XXZLFLRNDKGJGM-DGMVEKRQSA-N	283.331	1.556	10	20	CDCD	
COc1ccc(N2CC[C@H](CNC(=O)N3CCC3)C2)cc1	823733880	USBZSXAKGSZLQS-CYBMUJFWSA-N	289.379	1.937	10	20	CDCD	
CNC(=O)N1CCN(Cc2cc(Cl)c(C)cc2O)CC1	824870837	XRCXLTBZGHQHCO-UHFFFAOYSA-N	297.786	1.811	10	20	CDCD	
CCOc1cccc(CNC[C@H]2CCOC[C@@H]2OC)c1O	824710522	ZWLFAXRRSSPEGN-DOMZBBRYSA-N	295.379	1.932	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)NC[C@@H]1CCCC[C@H]1O	588407047	PJBYCXMRYJUQJN-SVSNBYFCSA-N	291.347	1.778	10	20	CDCD	
C[C@@H]1CSC[C@H]1NC(=O)c1c(F)ccc(O)c1O	831867190	WYDGMJGZBQWTHY-HTRCEHHLSA-N	271.313	1.718	10	20	CDCD	
CC[C@@H](NC(=O)c1c(F)ccc(O)c1O)[C@H](C)O	839783413	YYRHWOZGECTTBT-POYBYMJQSA-N	257.261	1.126	10	20	CDCD	
C[C@H]1C[C@@H](NC(=O)c2cccc(O)c2O)c2nccn21	836960090	OZORRPHMXPCUBN-WCBMZHEXSA-N	273.292	1.730	10	20	CDCD	
Nc1ccc(CCNC(=O)c2cc3c(nc2O)CCC3)cc1	832658906	HAGZZKYDCRZCDY-UHFFFAOYSA-N	297.358	1.831	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1ncccn1	735841088	NOQLKLAWZAAWGM-UHFFFAOYSA-N	270.336	1.815	10	20	CDCD	
C/C=C\C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1	837704046	FDGWJHJHZCQLCS-IHWYPQMZSA-N	296.317	1.994	10	20	CDCD	
C[C@H](NC(=O)c1ccccc1)C(=O)NCc1ccccc1O	748353458	ABAJFMWNWHKZMY-LBPRGKRZSA-N	298.342	1.827	10	20	CDCD	
C[C@@H]1CN(Cc2cc3c(cc2O)OCO3)C[C@@H](C)N1	843049126	FXWGMYMTJWSIJZ-NXEZZACHSA-N	264.325	1.303	10	20	CDCD	
CCOC(=O)NCC(=O)NCc1cc(Cl)ccc1O	846472501	KVYHCDMKYLQOOP-UHFFFAOYSA-N	286.715	1.408	10	20	CDCD	
CCOc1cccc(CN2CC(N3CC[C@@H](O)C3)C2)c1O	846067996	OGIAFVKAOZHZRX-CQSZACIVSA-N	292.379	1.042	10	20	CDCD	
C[C@@H]1CCNC[C@H]1NCc1ccc(N(C)C)c(F)c1	841058503	IEIPKBILJFJUOG-BXUZGUMPSA-N	265.376	1.979	10	20	CDCD	
CC(C)[C@H]1CN(Cc2cc(F)ccc2O)CCN1	843104443	HWUTYDNKUPHNRC-CYBMUJFWSA-N	252.333	1.961	10	20	CDCD	
CN(Cc1ccc(N2CCOCC2)cc1)C1CC(N)C1	843125459	XCAPHNSTXTXAMA-UHFFFAOYSA-N	275.396	1.445	10	20	CDCD	
O=C(OCc1ccc(CO)cc1)c1cccc(O)c1O	758582955	UXQLLUKIRJJIEX-UHFFFAOYSA-N	274.272	1.947	10	20	CDCD	
CCOCc1cc(CNC/C=C\CO)ccc1OC	850357504	LTZXMKKLMKEVLK-PLNGDYQASA-N	265.353	1.870	10	20	CDCD	
O=C(NC[C@H]1CCCN1CC(F)F)c1cc(O)cs1	862694716	FERMHKZDCWJHIL-MRVPVSSYSA-N	290.335	1.913	10	20	CDCD	
CN(CC1(O)CCC1)C(=O)/C=C\c1ccc(O)c(O)c1	760074307	SGRUVTYZRGEPGO-XQRVVYSFSA-N	277.320	1.484	10	20	CDCD	
Cc1ccc(CN[C@@H](C)CN2CCOCC2)c(O)c1	876932526	OJHPUUWEARFGDD-ZDUSSCGKSA-N	264.369	1.511	10	20	CDCD	
CC(=O)N[C@@H](CC(C)C)C(=O)NCc1cc(C)ccc1O	862757432	UHOUZLPSUAKENG-AWEZNQCLSA-N	292.379	1.868	10	20	CDCD	
COc1cccc(O)c1CN1CCC[C@@H](CC(N)=O)C1	769524592	PHWVLTDUHGTKBG-NSHDSACASA-N	278.352	1.488	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)/C=C\[C@H]2CCOC2)c1	862755286	QASLZYKZOUIFNB-FHMRSRPSSA-N	261.321	1.910	10	20	CDCD	
CC1(O)CCN(Cc2cc3c(cc2O)OC[C@H]3O)CC1	768463440	IYQJQRGLHQJQGP-CYBMUJFWSA-N	279.336	1.165	10	20	CDCD	
C[C@H](NCC(F)(F)CO)c1cc(F)cc(F)c1O	768285884	IJODBXJZEIFTLX-LURJTMIESA-N	267.222	1.949	10	20	CDCD	
O=C(O)COCCNCc1cccc(Cl)c1O	874042307	BWNUNCYINQMSEW-UHFFFAOYSA-N	259.689	1.236	10	20	CDCD	
COCCN(CCOC)Cc1ccc(C)cc1O	876526290	RUHBNZFCLUFFMB-UHFFFAOYSA-N	253.342	1.795	10	20	CDCD	
CCCOc1ccc(CN[C@H](CO)[C@@H](C)O)cc1C	873131279	RDJHBGIWCVRBNV-TZMCWYRMSA-N	267.369	1.615	10	20	CDCD	
CC[C@H](CO)C(=O)NCc1cc(OC)ccc1O	779813108	QJKFHUFKXQBETE-SECBINFHSA-N	253.298	1.036	10	20	CDCD	
CN1CCN(c2ccc(CNCC(C)(C)O)cc2)CC1	771839357	AQVJXUQIXACLIR-UHFFFAOYSA-N	277.412	1.299	10	20	CDCD	
CC[C@H]1C(=O)NCCN1Cc1cc(Cl)cc(F)c1O	775676587	UULKVULMOIYZMH-NSHDSACASA-N	286.734	1.895	10	20	CDCD	
CCOc1ccc(CN[C@H](CO)C[C@@H]2CCCO2)c(O)c1	886229741	VFXURQLOBVLOCI-KBPBESRZSA-N	295.379	1.811	10	20	CDCD	
CCn1[nH]c(C)nc1=NC(=O)N[C@H](C)c1ccccc1O	888550351	MEWZVJPCCCWFSC-SECBINFHSA-N	289.339	1.617	10	20	CDCD	
CCN(C)c1ccc(Cn2cc(CNC)nn2)cc1	881314711	BNKSESAEMUKQOU-UHFFFAOYSA-N	259.357	1.502	10	20	CDCD	
C[C@](O)(Cn1cc(COc2ccc(N)cc2)nn1)C(F)F	887464449	ACNDEZPSHRHWBW-ZDUSSCGKSA-N	298.293	1.455	10	20	CDCD	
C[C@H]1C[C@@H](C(=O)NCc2ccc(O)c(O)c2)CO1	784441996	KKEOHXXDGRXYDM-WCBMZHEXSA-N	251.282	1.139	10	20	CDCD	
CCN(C)c1ccc([C@H](C)NCc2nnn(C)n2)cc1	787043616	VAMRXVFPKSRDDV-NSHDSACASA-N	274.372	1.517	10	20	CDCD	
COC(=O)N1CC(C)(NCc2cc3c(cc2O)OCO3)C1	894542886	RBZIYNFOYFQWLD-UHFFFAOYSA-N	294.307	1.051	10	20	CDCD	
COc1ccc(CNC2CCN(C=O)CC2)c(O)c1	894186508	XSGNEUHBQZHVIZ-UHFFFAOYSA-N	264.325	1.111	10	20	CDCD	
COc1ccc(CNC(=O)NC[C@@H](C)SC)c(O)c1	793013080	OJPMOJGMYYTGNY-SECBINFHSA-N	284.381	1.952	10	20	CDCD	
CN1CC[C@@H](NCc2c(O)ccc(Cl)c2F)C1	790960553	VUHTXIPDLKVHKC-MRVPVSSYSA-N	258.724	1.978	10	20	CDCD	
CC(=O)c1cc(Cl)cc(CN2CCC[C@@H]2C(N)=O)c1O	50133239	OQOLTGCMXXGEKW-GFCCVEGCSA-N	296.754	1.698	10	20	CDCD	
c1cc(N2CCOCC2)ccc1CN1CCOCC1	82713082	YCRIRVFSTTXSIU-UHFFFAOYSA-N	262.353	1.355	10	20	CDCD	
CCOc1ccc(CN2CC(NC(=O)OC)C2)c(O)c1	1328218916	DFDNPAUQAZXERK-UHFFFAOYSA-N	280.324	1.331	10	20	CDCD	
C[C@H]1CC[C@H](C)N1C(=O)C(=O)N(C)Cc1ccccc1O	1327185789	FYADLLRDPVTZOR-RYUDHWBXSA-N	290.363	1.750	10	20	CDCD	
CN1C[C@H]2CN(Cc3cc(F)cc(F)c3O)C[C@H]2C1	708381584	CAWMRDQLMCSEQL-PHIMTYICSA-N	268.307	1.664	10	20	CDCD	
CN(CCS(C)(=O)=O)Cc1ccc(N2CCCC2)cc1	1323285298	FMLYGGASOOKDLD-UHFFFAOYSA-N	296.436	1.763	10	20	CDCD	
Nc1ccc(CNC(=O)NC[C@@H]2CC[C@@H](O)C2)cc1	1337069846	DGQWIFMGLLMGKD-DGCLKSJQSA-N	263.341	1.229	10	20	CDCD	
CC[C@@]1(CO)CCCN1C(=O)NCc1ccc(N)cc1	1338793147	MXWFVMZEVUNSQA-HNNXBMFYSA-N	277.368	1.715	10	20	CDCD	
CN(Cc1ccc(N2CCOCC2)cc1)c1ncnn1C	1347178753	PBUHZNNDHMJXDG-UHFFFAOYSA-N	287.367	1.288	10	20	CDCD	
C[C@H](NCC1COC1)c1cc(C(=O)O)ccc1O	1604337265	FFIIAHBMWHRQIE-QMMMGPOBSA-N	251.282	1.387	10	20	CDCD	
O=C(NCc1ccccc1O)Nc1ccc(C(=O)O)nn1	1610698175	OHTFCELXKAFBHX-UHFFFAOYSA-N	288.263	1.202	10	20	CDCD	
COC1([C@H](C(=O)O)N(C)Cc2ccccc2O)CCC1	1599080724	HLHMGDIXEQLVSQ-ZDUSSCGKSA-N	279.336	1.846	10	20	CDCD	
CON(C)CCN[C@H](C)c1cc(C(=O)O)ccc1O	1599316749	PRORZECWHRXFST-SECBINFHSA-N	268.313	1.234	10	20	CDCD	
COC(=O)C[C@@H](C)C(=O)N(C)Cc1ccccc1O	160864715	NJOYGNVXTQCGKI-SNVBAGLBSA-N	265.309	1.550	10	20	CDCD	
c1cc2c(cc1CNC[C@H]1CNCCO1)CCCO2	258890321	KAGOSDFRIYCFGA-CQSZACIVSA-N	262.353	1.090	10	20	CDCD	
CCC[C@](C)(O)CNC(=O)Nc1ccc(N)cc1	841299343	AOSQIAMFYAZCJQ-ZDUSSCGKSA-N	251.330	1.941	10	20	CDCD	
Oc1c(Br)cccc1CN1CCOCC1	5943726	KGNRZNUJVPUETP-UHFFFAOYSA-N	272.142	1.987	10	20	CDCD	
COc1ccc(O)c([C@@H](C)N[C@@H]2CCCCNC2=O)c1	36977195	PEDRWSPSDWCGJH-ZWNOBZJWSA-N	278.352	1.720	10	20	CDCD	
COc1ccc(O)c(CNCC2([S@](C)=O)CC2)c1	281820630	RBXGRTJSJGWINI-SFHVURJKSA-N	269.366	1.402	10	20	CDCD	
CCN(CCS(C)(=O)=O)Cc1cccc(Cl)c1O	180576161	AAIXNGZOUTVJLV-UHFFFAOYSA-N	291.800	1.912	10	20	CDCD	
CN(Cc1nnn(C(C)(C)C)n1)c1ccc(N)cc1	690627475	XPLXZOCYZYZWOY-UHFFFAOYSA-N	260.345	1.647	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CCCNC1	178863208	DMIIUEMZIIITKI-LBPRGKRZSA-N	289.379	1.478	10	20	CDCD	
CCN(CC(=O)NCc1ccc(N(C)C)cc1)C1CC1	130410587	AOPLQAOEZGCKNR-UHFFFAOYSA-N	275.396	1.853	10	20	CDCD	
Cc1cc(O)c(CN2CCN(C[C@@H](C)O)CC2)cc1C	188725142	DEELMIRVPXKEFB-CQSZACIVSA-N	278.396	1.507	10	20	CDCD	
CSC[C@H](C)NC(=O)NCc1ccccc1O	76978994	HEBSGCQPZCIFGB-VIFPVBQESA-N	254.355	1.943	10	20	CDCD	
O=C1NC(=S)NC(=O)C1=CNC1CCCCCCC1	48392258	ZREUOEKQQDNRPP-UHFFFAOYSA-N	281.381	1.104	10	20	CDCD	
C[C@@H](C[S@@](C)=O)N(C)Cc1cc2c(cc1O)OCO2	131016627	TVAOGNJOCVOOGP-UGZDLDLSSA-N	285.365	1.320	10	20	CDCD	
CCc1ocnc1C(=O)NCCc1ccc(N)cc1	269147762	IFGITOHRPASKKV-UHFFFAOYSA-N	259.309	1.792	10	20	CDCD	
O=C(NCc1ccccc1O)NC[C@H]1CCCCO1	263703747	JAKMXJZBRGKFEC-GFCCVEGCSA-N	264.325	1.761	10	20	CDCD	
C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)Cc1ccc(N)cc1	269272840	UJKLMLGARXONGB-IAQYHMDHSA-N	273.380	1.410	10	20	CDCD	
Cc1cc(C(=O)N2CC(C)(O)C2)c(C)n1-c1ccccn1	277805021	UTFCETBFOYHBSA-UHFFFAOYSA-N	285.347	1.696	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2CC[C@@H]([C@@H](C)O)C2)c1O	278493250	LVJXPPUCEBUEJT-NXEZZACHSA-N	296.323	1.512	10	20	CDCD	
Cc1cc(O)c(CN[C@@]2(CCO)CCOC2)cc1C	278501805	OBZWALVBFPIURF-HNNXBMFYSA-N	265.353	1.640	10	20	CDCD	
COc1cc(O)c(CN[C@H](C)[C@H]2CCOC2)cc1OC	271811175	KUBNBDIFRWDNJB-MNOVXSKESA-N	281.352	1.924	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@H]2CC(=O)N(C)C2)c1	273619343	YOENXKOAIKXVNM-ONGXEEELSA-N	292.335	1.060	10	20	CDCD	
O=C(/C=C/c1cncc(F)c1)N1CCn2nccc21	375602099	YXBDCLQRPGCVPV-OWOJBTEDSA-N	258.256	1.477	10	20	CDCD	
Cn1nncc1CNCc1cc(Cl)cc([N+](=O)[O-])c1O	288486942	QNQDLDRQHUQOGD-UHFFFAOYSA-N	297.702	1.372	10	20	CDCD	
O=C(N[C@H]1CCCOCC1)c1c(F)ccc(O)c1O	294964353	LFGPEVVAWYHDAD-QMMMGPOBSA-N	269.272	1.536	10	20	CDCD	
CC(C)N(C)S(=O)(=O)NCc1ccc(N(C)C)cc1	299098774	ZAHZIYYLXTTYFZ-UHFFFAOYSA-N	285.413	1.427	10	20	CDCD	
CCCn1ncnc1COC(=O)c1cccc(O)c1O	801310845	ASUFVUZRIDTYQA-UHFFFAOYSA-N	277.280	1.456	10	20	CDCD	
Cc1cc(Cl)cc([C@H](C)NCc2nnn(C)n2)c1O	808716917	ZILNKMUODUCTKF-QMMMGPOBSA-N	281.747	1.728	10	20	CDCD	
CO[C@@H]1CN(Cc2ccc(N3CCCCC3)cc2)C[C@H]1O	825016294	AAEQJLAWZQNWRD-IAGOWNOFSA-N	290.407	1.868	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=S)NCCN(C)C)c1	728792664	MIZRUUAEXUUVQD-JTQLQIEISA-N	297.424	1.488	10	20	CDCD	
CCN(CC)C(=O)CN(C)C(=O)c1cc(O)cs1	732260817	ABDCNEUXWUXWMO-UHFFFAOYSA-N	270.354	1.394	10	20	CDCD	
C[C@@H](NC(=O)c1cc(O)cs1)C(=O)NCc1ccco1	731870976	BILSHVDSEYWXSK-MRVPVSSYSA-N	294.332	1.481	10	20	CDCD	
CCCN(C)CC(=O)NCc1ccc(N(C)C)c(F)c1	730106994	XBAFKIPSQXDREB-UHFFFAOYSA-N	281.375	1.850	10	20	CDCD	
O=C(N[C@@H]1CC12CCOCC2)c1cc(O)cs1	839782773	QBGNVYBXNPECIR-SNVBAGLBSA-N	253.323	1.753	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CCC[C@@H]2CN)c1O	843352315	HYXNTJZJDLPMDO-GFCCVEGCSA-N	266.316	1.657	10	20	CDCD	
COCCN1C(=O)C2(CC2)N[C@@H]1c1ccc(OC)cc1O	840836090	CYCKXZAUBYWONP-ZDUSSCGKSA-N	292.335	1.010	10	20	CDCD	
C[C@@H]1NCCN(C(=O)NCc2ccc(N(C)C)cc2)[C@H]1C	841652793	GDXRPQXUVBWIDI-STQMWFEESA-N	290.411	1.644	10	20	CDCD	
Nc1ccc(CCNC(=O)NC2(CO)CCC2)cc1	841960426	PPTISEOUERKITN-UHFFFAOYSA-N	263.341	1.026	10	20	CDCD	
O=C(OCc1cc2n(n1)CCCC2)c1cccc(O)c1O	845150056	NIKZDCNGZPMBIK-UHFFFAOYSA-N	288.303	1.988	10	20	CDCD	
CC[C@@H](N)CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1	841882190	XKIPHRQMZBVGRE-WCQYABFASA-N	278.400	1.850	10	20	CDCD	
CC(C)CCn1cc(C(=O)NCc2ccccc2O)nn1	740925886	WXFFRMZPOSFSDH-UHFFFAOYSA-N	288.351	1.960	10	20	CDCD	
CC1(C)CNCC[C@H]1NCc1cc2c(cc1O)OCO2	841073058	PJYUOJSBZJTBLU-CQSZACIVSA-N	278.352	1.599	10	20	CDCD	
CCC[C@H](C)N(C)Cc1cc(O)n2ncc(C(=O)O)c2n1	846239658	SXJVRCSSOIFUQK-VIFPVBQESA-N	292.339	1.754	10	20	CDCD	
O=C(O)CN(Cc1ccccc1O)C(=O)CCC1CC1	911487825	WQNTUTATISVYSI-UHFFFAOYSA-N	277.320	1.996	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)N[C@H]2CCN(C3CC3)C2)c1	858282240	VHERMRRGFJZRMT-ZDUSSCGKSA-N	289.379	1.737	10	20	CDCD	
COC[C@](C)(CC(=O)OC)NCc1cccc(C)c1O	757926332	LIFXZIZWYBHJFV-HNNXBMFYSA-N	281.352	1.758	10	20	CDCD	
CCNC(=O)[C@H](C)N[C@H](C)c1cc(F)cc(F)c1O	756354757	COUXQMLLJNZGBC-SFYZADRCSA-N	272.295	1.846	10	20	CDCD	
CNS(=O)(=O)CCCNCc1ccc(OC)c(C)c1	865707665	WABUZYCSYIGKKU-UHFFFAOYSA-N	286.397	1.033	10	20	CDCD	
O=C(NCc1ccccc1O)c1cc2n(n1)CCCO2	762094937	AQROMOUWMDVHHV-UHFFFAOYSA-N	273.292	1.301	10	20	CDCD	
Cc1ncc(C(=O)NCc2ccc(N(C)C)cc2)c(N)n1	769465082	NGCNNXIUYMHUNL-UHFFFAOYSA-N	285.351	1.363	10	20	CDCD	
COC(=O)C(C)(C)CNCc1ccc(C)cc1O	876880355	TUZNYDRCWXCALI-UHFFFAOYSA-N	251.326	1.989	10	20	CDCD	
COC[C@](C)(CO)NCc1ccc(N(C)C)c(C)c1	879163434	UFFJLCCJLIHMPH-HNNXBMFYSA-N	266.385	1.548	10	20	CDCD	
O=C(N[C@@H]1CCO[C@@]2(CCOC2)C1)c1cc(O)cs1	771419980	ULAXOFDSVPXUKS-RNCFNFMXSA-N	283.349	1.522	10	20	CDCD	
OCC1(CO)CCN(Cc2c(O)cccc2Cl)CC1	877798028	VDLQQASKEIUDMJ-UHFFFAOYSA-N	285.771	1.612	10	20	CDCD	
CC(C)N(C)C[C@@H](O)CN[C@H](C)c1ccccc1O	879649551	VXCVNRDHCJOLOE-OLZOCXBDSA-N	266.385	1.744	10	20	CDCD	
CCO[C@H]1C[C@@H]1C(=O)OCC(=O)c1ccc(O)c(O)c1	783046781	NCKRCYOWDGHDQM-ZANVPECISA-N	280.276	1.249	10	20	CDCD	
CN(CC1(O)CCOCC1)C(=O)c1cc(O)cs1	782058090	IEEFONMHXMSXTC-UHFFFAOYSA-N	271.338	1.067	10	20	CDCD	
OC[C@]12C[C@H]1CN(Cc1cccc(Br)c1O)C2	783735851	TZRQZFUATBMHES-GXFFZTMASA-N	298.180	1.969	10	20	CDCD	
COc1ccc(CN2C[C@@H](C)N(C)C[C@@H]2C)c(O)c1OC	893669268	LSPGNJZXLQRISI-NEPJUHHUSA-N	294.395	1.934	10	20	CDCD	
COc1ccc(CNC[C@@H](C)CCO)c(O)c1OC	893081391	CXGYUBQCAWLVOH-JTQLQIEISA-N	269.341	1.518	10	20	CDCD	
COCCC[C@@H](C)C(=O)OCC(=O)c1ccc(O)c(O)c1	784582241	JJQZIJFMZLMVEB-SNVBAGLBSA-N	296.319	1.886	10	20	CDCD	
Cc1ccc(C(=O)N[C@H](C)C[C@@H]2CCOC2)c(O)c1O	780969445	QNUFVQFQFVJGSC-MNOVXSKESA-N	279.336	1.951	10	20	CDCD	
COCC[C@H](C)NCc1ccc(OC)c(OC)c1O	892784871	ONYJZRQUDGSSIR-JTQLQIEISA-N	269.341	1.924	10	20	CDCD	
COc1ccc2c(c1)CCCN2Cc1nnn(C)n1	799295020	VMMZATVJTFOOIU-UHFFFAOYSA-N	259.313	1.172	10	20	CDCD	
C[C@@H]1CN(C(=O)c2cc(O)cs2)C[C@@]2(CCO[C@@H]2C)O1	791071359	YVAVZHYMICNTDW-GPCCPHFNSA-N	297.376	1.862	10	20	CDCD	
CCNC(=O)[C@@H](C)N[C@H](C)c1cc(C)ccc1O	36795325	MIRMYGNTVKUYMZ-GHMZBOCLSA-N	250.342	1.876	10	20	CDCD	
CC[C@H](COC)NCc1cc2c(cc1O)OCO2	79735208	GPQODUBJGBLGHC-SNVBAGLBSA-N	253.298	1.636	10	20	CDCD	
CN(Cc1ccccc1O)C[C@H]1CCS(=O)(=O)C1	272287935	NTHOJQWQJMMZKZ-LLVKDONJSA-N	269.366	1.259	10	20	CDCD	
O=C(NCCOCC(F)F)c1cccc(O)c1O	276303561	ATKXQVZSLOITIU-UHFFFAOYSA-N	261.224	1.109	10	20	CDCD	
CC(C)(C)N1CC[C@H](NC(=O)NCc2ccc(N)cc2)C1	1337019320	SHTDUHFSKAOOPL-AWEZNQCLSA-N	290.411	1.941	10	20	CDCD	
COc1ccnc(N2CCN(Cc3ccc(N)cc3)CC2)n1	1335285567	PQFZELSCPJZANQ-UHFFFAOYSA-N	299.378	1.390	10	20	CDCD	
COc1cc(C)cc(CNC[C@H]2CCCS2(=O)=O)c1O	1333705784	UMWQCHBHDAQEHM-GFCCVEGCSA-N	299.392	1.376	10	20	CDCD	
C[C@@H]1CCNC(=O)[C@@H]1NCc1ccc(N2CCCC2)cc1	1339876774	YRBWOUMFNSWQMU-CZUORRHYSA-N	287.407	1.901	10	20	CDCD	
OC[C@@H]1[C@H]2CN(Cc3ccc(N4CCCC4)cc3)C[C@H]21	1343801883	YYZURYUXKPCYFX-FVQHAEBGSA-N	272.392	1.957	10	20	CDCD	
O=C(NCc1cccc(O)c1O)c1cnc(C2CC2)nc1	1348048922	YEPJAIALPZKAHY-UHFFFAOYSA-N	285.303	1.695	10	20	CDCD	
COc1ccc(CN[C@@H]2C[C@@H]3C[C@H](C(=O)O)C[C@@H]32)c(O)c1	1607260013	LXLNXFPPXSCFAD-AUZPSNTRSA-N	291.347	1.990	10	20	CDCD	
O=C(O)CN(Cc1cnc[nH]1)Cc1cc(Cl)ccc1O	1602057460	DJTBOWVXOZRSME-UHFFFAOYSA-N	295.726	1.856	10	20	CDCD	
Cc1cc(O)c(CN2CCC23CNC3)c(Cl)c1	1579638099	RAMHVSUQXRYXSZ-UHFFFAOYSA-N	252.745	1.902	10	20	CDCD	
CC(C)(C(=O)O)N1CCN(C(=O)c2cc(O)cs2)CC1	1589627826	OXMZRCQLVWVPNN-UHFFFAOYSA-N	298.364	1.075	10	20	CDCD	
COc1cc(CN2CCOC[C@H]2CC(=O)O)c(O)cc1C	1599408176	MADQDSHLYHEQRZ-GFCCVEGCSA-N	295.335	1.385	10	20	CDCD	
C[C@H](CCO)N[C@H](C)c1cc(C(=O)O)ccc1O	1592529380	QDAYWGXEOPSKBQ-RKDXNWHRSA-N	253.298	1.512	10	20	CDCD	
O=C1CC[C@H]2CN(Cc3cc(Cl)ccc3O)CCN12	211586744	SVWJHEXURBIVLR-LBPRGKRZSA-N	280.755	1.852	10	20	CDCD	
C[C@H](NCCS(=O)(=O)N(C)C)c1ccc(N(C)C)cc1	230992704	WSODAHIIQHVETJ-LBPRGKRZSA-N	299.440	1.295	10	20	CDCD	
Cc1ccc(O)c(CN2CCC[C@@H](S(C)(=O)=O)C2)c1	274170725	WNWHFTRMTJLPSF-CYBMUJFWSA-N	283.393	1.710	10	20	CDCD	
COc1ccc(O)c(CNC(=O)CC2CCOCC2)c1	117415188	CSKGOJPCUOBZKA-UHFFFAOYSA-N	279.336	1.834	10	20	CDCD	
C[C@@H]1CN(C(=O)CN(C)c2ccc3c(c2)OCO3)CCO1	178879454	IWZDXJAHPSSIPQ-LLVKDONJSA-N	292.335	1.099	10	20	CDCD	
CO[C@@H]1CCN(c2ccc(/C=C/C(=O)O)cc2[N+](=O)[O-])C1	300184004	ZIVCSIGVXXWXCR-JOAKQRRISA-N	292.291	1.918	10	20	CDCD	
COc1ccc(N(C)CC(=O)N2CCCC2)cc1OC	64517321	RTCCWJJKOPGCIU-UHFFFAOYSA-N	278.352	1.762	10	20	CDCD	
COc1ccc(O)c([C@@H](C)N[C@@H](C)c2nnnn2C)c1	189844588	GBMWMSUQKBZLOW-BDAKNGLRSA-N	277.328	1.336	10	20	CDCD	
C[C@@H](N[C@@H]1CCc2ncnn2C1)c1ccc(F)c(F)c1O	187776893	ROQQTUYGAALLRK-RKDXNWHRSA-N	294.305	1.928	10	20	CDCD	
C[C@@](O)(CNCc1ccc(N2CCOCC2)cc1)C1CC1	313828008	CLVKDNAXAHXKMK-QGZVFWFLSA-N	290.407	1.774	10	20	CDCD	
CN1CCCc2cc(CNC(=O)[C@H]3C[C@H](F)CN3)ccc21	188747432	AROPAJJCDGMFGV-UONOGXRCSA-N	291.370	1.385	10	20	CDCD	
C[C@@H]1CN(Cc2cc(F)ccc2O)CCS(=O)(=O)C1	192065710	FKTHGMHOGJBHEZ-SNVBAGLBSA-N	287.356	1.398	10	20	CDCD	
COC[C@@H](CNCc1ccc(N(C)C)cc1)OC	227707551	YPVWJZCQTALJIH-CQSZACIVSA-N	252.358	1.504	10	20	CDCD	
COC(=O)N[C@H](C(=O)NCCc1ccc(N)cc1)C(C)C	237278344	KLNXBCQWSSLKOV-ZDUSSCGKSA-N	293.367	1.308	10	20	CDCD	
CO[C@]1(CNCc2cc(F)ccc2O)CCOC1	231293646	WERUKKBQFKDGFR-ZDUSSCGKSA-N	255.289	1.426	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H](N)CC(F)F	345796866	LFRANIFZEGBIMR-JTQLQIEISA-N	299.321	1.461	10	20	CDCD	
COc1ccc(O)c([C@H](C)NCCCC(=O)N(C)C)c1	185194074	OKDBKRWYSFHYSP-NSHDSACASA-N	280.368	1.920	10	20	CDCD	
CN1CCC[C@@H]1CNC(=O)NCc1ccccc1O	263770372	TUGSCNKBPMCCRZ-GFCCVEGCSA-N	263.341	1.286	10	20	CDCD	
COc1cc(O)c(CNCCC[C@H](C)O)cc1OC	279347753	FQMGWCSVQAOHTL-JTQLQIEISA-N	269.341	1.660	10	20	CDCD	
CC(=O)OC(C)(C)C(=O)NCCc1ccc(O)c(O)c1	275831579	ZOTUVSUFQPBLQV-UHFFFAOYSA-N	281.308	1.098	10	20	CDCD	
C[C@@H]1[C@@H](C)[S@@](=O)CCN1Cc1cc(F)ccc1O	272289817	NZBSDUOICZCKHL-MHNGPXOMSA-N	271.357	1.873	10	20	CDCD	
CC[C@](C)(NC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)OC	272537693	XMZUFIZQIMRILP-VFADXPBXSA-N	293.319	1.569	10	20	CDCD	
O=C(c1c(F)ccc(O)c1O)N1CCC[C@@H](CO)C1	276645617	YEVLHXUTFJLEPQ-MRVPVSSYSA-N	269.272	1.081	10	20	CDCD	
C[C@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1O)c1ncn(C)n1	275647283	DDFOKBLTOCGMBX-BDAKNGLRSA-N	291.311	1.841	10	20	CDCD	
CSCCONC(=O)c1ccc(C)c(O)c1O	280053670	QEJQKYVNOLPRFX-UHFFFAOYSA-N	257.311	1.431	10	20	CDCD	
CN(C)c1ccc(CNC[C@@H](CO)[C@H]2CCOC2)cc1F	280335435	QSYYPVJJOSAQIS-KBPBESRZSA-N	296.386	1.626	10	20	CDCD	
CN(C)c1ccc(CNC[C@@H](CO)[C@@H]2CCOC2)cc1	280427326	ZXKLBPQYOIJJHP-CABCVRRESA-N	278.396	1.487	10	20	CDCD	
C[C@H](NCC1(CC(N)=O)CC1)c1cc(F)ccc1O	817586733	RLAQTDXMVUUVEV-VIFPVBQESA-N	266.316	1.838	10	20	CDCD	
C[C@H](O)CNCc1ccc(N2CCC(O)CC2)c(F)c1	819121644	NFDWGZXYQSYMBB-NSHDSACASA-N	282.359	1.257	10	20	CDCD	
COC[C@H]1CN(C(=O)c2c(F)ccc(O)c2O)C[C@@H](C)O1	829868832	TYLXTBZMCVAUTB-RKDXNWHRSA-N	299.298	1.113	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)Cc1ccc(N)cn1	829764433	LAZZHPGQMKCUSV-UHFFFAOYSA-N	298.390	1.897	10	20	CDCD	
COCC(COC)Sc1ncc(C(=O)OC)s1	901570484	MIQNMXJWCJQNFA-UHFFFAOYSA-N	277.367	1.683	10	20	CDCD	
CN1CCC[C@@H](CCNC(=O)NCc2ccccc2O)C1	838059470	BJPDMWMZBGCOMR-ZDUSSCGKSA-N	291.395	1.923	10	20	CDCD	
CN(C)c1ccc(CNC(=O)COC2CCOCC2)cc1	735245074	LXVVEXMUTARHOG-UHFFFAOYSA-N	292.379	1.564	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2	837467416	FYLRYSUDUZPGAP-CYZMBNFOSA-N	273.332	1.966	10	20	CDCD	
CCOC(=O)[C@@H](CC)C(=O)NCc1ccc(N(C)C)cc1	839471228	VLOFAXUDFVFHFV-AWEZNQCLSA-N	292.379	1.958	10	20	CDCD	
CNC(=O)C[C@H](C)NC(=O)NCc1ccc(N(C)C)cc1	836237483	GIYQGGWRESGALK-NSHDSACASA-N	292.383	1.076	10	20	CDCD	
COc1ccc(CNC(=O)[C@@H]2C[C@H]3CC(=O)[C@@H]2C3)c(O)c1	837593063	SBIRNAZLEFOLNY-ZWKOPEQDSA-N	289.331	1.632	10	20	CDCD	
CCOC(C)(C)C(=O)NCCc1ccc(O)c(O)c1	866757048	IDCKRAHHWDUDAC-UHFFFAOYSA-N	267.325	1.572	10	20	CDCD	
Cc1cccc(CN2CCNC[C@@H]2c2nccn2C)c1O	843122426	SHXWCNHGBIGDGD-CQSZACIVSA-N	286.379	1.581	10	20	CDCD	
COc1cccc([C@H](C)N[C@@H]2C=C[C@H](CO)C2)c1O	846150865	RUWBSHGYHUEZAS-SDDRHHMPSA-N	263.337	1.988	10	20	CDCD	
COc1cccc([C@H](C)NCC2(S(C)(=O)=O)CC2)c1O	846168583	SZRSWJKJUGSHIZ-JTQLQIEISA-N	299.392	1.629	10	20	CDCD	
Oc1cc2c(cc1CN1CC[C@]3(CCCN3)C1)OCO2	841106403	LTIJAKLSWAOLFU-OAHLLOKOSA-N	276.336	1.449	10	20	CDCD	
CNC(=O)CC1CCN(C(=O)c2cc(O)cs2)CC1	746409387	AGKZLQWVDCENLB-UHFFFAOYSA-N	282.365	1.442	10	20	CDCD	
COC(=O)c1ccc(/C=C2/SC(=S)NC2=O)o1	745313925	ZVCAYVWVDWARGI-QPJJXVBHSA-N	269.303	1.555	10	20	CDCD	
Nc1ccc(NC(=O)[C@@H]2CCCN2c2ncccn2)cc1	843294950	MMOSSJCPQXOMAQ-ZDUSSCGKSA-N	283.335	1.666	10	20	CDCD	
Oc1cc2c(cc1CNCC[C@@H]1CCNC1)OCO2	841036924	QHJKSKWFECZKST-JTQLQIEISA-N	264.325	1.210	10	20	CDCD	
C[C@@H]1CCNC[C@@H]1NCc1ccc(N(C)C)c(F)c1	841058506	IEIPKBILJFJUOG-RISCZKNCSA-N	265.376	1.979	10	20	CDCD	
CCc1cccc(CN[C@H]2CCc3c(nnn3C)C2)c1O	848926789	ZRALEEZZWPHZOF-ZDUSSCGKSA-N	286.379	1.730	10	20	CDCD	
CC[C@@H](N)CNC(=O)NCc1ccc(N(C)C)cc1	841656335	ZUOBJPQCGAQFDK-GFCCVEGCSA-N	264.373	1.289	10	20	CDCD	
CC(C)(CCNCc1ccccc1O)S(C)(=O)=O	840960558	ONBFSGAAWSCEOA-UHFFFAOYSA-N	271.382	1.695	10	20	CDCD	
CCCCN(Cc1ccccc1O)c1nc(N)nc(N)n1	858532120	GZQQRPAIKHOKHL-UHFFFAOYSA-N	288.355	1.548	10	20	CDCD	
CN(C)c1ccc(CNCCO[C@H]2CCOC2)cc1F	922938102	LONLWJDQPQOOHP-ZDUSSCGKSA-N	282.359	1.787	10	20	CDCD	
CNC(=O)C[C@@H](C)NCc1cc(F)c(N(C)C)cc1F	858174496	RTFDOUMUJIBKKD-SECBINFHSA-N	285.338	1.645	10	20	CDCD	
Cc1ccc(C(=O)N[C@H]2CCn3cncc3C2)c(O)c1O	857948898	STXBYJBVLIXNFR-JTQLQIEISA-N	287.319	1.348	10	20	CDCD	
CC1(C)CCN(C(=O)c2cc(O)cs2)CC[S@]1=O	854847287	XBZPYBOYSSAKBH-GOSISDBHSA-N	287.406	1.827	10	20	CDCD	
CC[C@@H](N[C@@H]1COCC[C@H]1O)c1ccc(N(C)C)cc1	866497838	MKQGVNRKFGCYNT-BZUAXINKSA-N	278.396	1.943	10	20	CDCD	
CCOCc1cc(CN[C@@H]2COC[C@@H]2O)ccc1OC	865666844	PBZPWTKPFBTZDS-KGLIPLIRSA-N	281.352	1.081	10	20	CDCD	
CON1CCC(NC(=O)N[C@H](C)c2ccccc2O)CC1	868717074	KLQJFKVLRRGAQG-LLVKDONJSA-N	293.367	1.778	10	20	CDCD	
COC(=O)N(C)CCCC(=O)N(C)c1ccc(N)cc1	877078048	AUUUYMSMKGFBIQ-UHFFFAOYSA-N	279.340	1.710	10	20	CDCD	
CN1CCN(c2ccc(CN[C@@H]3CCOC3)cc2)CC1	771856857	UJLZNMNMABANID-OAHLLOKOSA-N	275.396	1.317	10	20	CDCD	
C[C@@H](NC[C@@H]1CN(C)CCN1C)c1c(O)cccc1F	886526184	HBRYVJHUBYWIEA-VXGBXAGGSA-N	281.375	1.428	10	20	CDCD	
COc1cc(C)cc(CN2C[C@@H](CO)OC[C@H]2C)c1O	894092736	AINYHHWOVOHMLZ-YPMHNXCESA-N	281.352	1.291	10	20	CDCD	
COc1cc(C)cc(CNC[C@@]2(C)CCC(=O)N2)c1O	894967740	QUDUTHMVHXXJFP-OAHLLOKOSA-N	278.352	1.468	10	20	CDCD	
CCOc1ccc(CN(CC)CC(N)=O)c(O)c1	789597815	XMIRYJMRROUWQP-UHFFFAOYSA-N	252.314	1.098	10	20	CDCD	
COc1cccc(O)c1CNC[C@@H](CO)[C@@H]1CCOC1	795583998	VDYNZBZUZVJZQW-NEPJUHHUSA-N	281.352	1.135	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC[C@@H]2CN(C)C(=O)O2)c1	1324266324	KKVJFEDRLAKNBZ-MWLCHTKSSA-N	280.324	1.502	10	20	CDCD	
C[C@H](O)C[C@H](C)CNC(=O)c1cccc(O)c1O	187156557	BQZZUFFZUXAHOL-IUCAKERBSA-N	253.298	1.235	10	20	CDCD	
C[C@@H]1COC[C@@H]1NCc1cc2c(cc1O)OCO2	699833189	FTUNHDZZUPZAEC-SCZZXKLOSA-N	251.282	1.245	10	20	CDCD	
Nc1ccc(CNC(=O)NCCC2(CO)CC2)cc1	1337019282	RACWXZXXOWJFJN-UHFFFAOYSA-N	263.341	1.231	10	20	CDCD	
CCn1ncnc1CNCc1cc(OC)ccc1O	793347603	ZARXJVWOHXGMQT-UHFFFAOYSA-N	262.313	1.302	10	20	CDCD	
O=C(O)[C@@H](NCc1ccc2c(c1)CCO2)C1CCOCC1	1333135656	AEZXAFGXONFKSH-HNNXBMFYSA-N	291.347	1.591	10	20	CDCD	
CN(C[C@H]1CCCC[C@H]1O)C(=O)NCc1ccc(N)cc1	1346738683	JKMMNWHKQBCUED-UKRRQHHQSA-N	291.395	1.961	10	20	CDCD	
Cc1c(C)n(C)c2ccc(OC(=O)CCC(N)=O)cc12	1348659820	PQKWEQNNHPIDMS-UHFFFAOYSA-N	274.320	1.966	10	20	CDCD	
CCCN(CC)CCNC(=O)NCc1ccc(N)cc1	1262577044	GFRLBNOKYFYMMY-UHFFFAOYSA-N	278.400	1.800	10	20	CDCD	
C[C@@](O)(CNC(=O)NCc1ccc(N)cc1)C(F)(F)F	1357792449	YIZFOXSWHNJKAN-LLVKDONJSA-N	291.273	1.381	10	20	CDCD	
Cn1ncc(C(=O)NCc2cccc(O)c2O)c1C1CC1	1352657843	NBLRQCKCJYGVTJ-UHFFFAOYSA-N	287.319	1.639	10	20	CDCD	
O=C(O)CC(=O)NCc1ccc2cccnc2c1O	1608664429	UZTFAKJHDSLIMN-UHFFFAOYSA-N	260.249	1.031	10	20	CDCD	
O=C(O)CN(CC1CC1)C(=O)/C=C\c1ccc(O)c(O)c1	1606227036	AOIYTSSKLRBKSU-XQRVVYSFSA-N	291.303	1.434	10	20	CDCD	
COC[C@@](C)(O)CCN[C@@H](C)c1cc(C(=O)O)ccc1O	1599157071	VVYQQIGBAHBLLT-BONVTDFDSA-N	297.351	1.529	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(C)(C)CN	137416717	SDQYSLTXNGBPGM-UHFFFAOYSA-N	263.385	1.696	10	20	CDCD	
C[C@H](C[S@@](C)=O)NCc1cccc(Cl)c1O	164408435	VXUWULBFUOZIKV-BCTVWOGZSA-N	261.774	1.902	10	20	CDCD	
COc1ccc(O)c([C@H](C)N[C@H](C)C[S@](C)=O)c1	168867893	CRCXFTRKWGOHBI-AUSHCKSDSA-N	271.382	1.818	10	20	CDCD	
C[C@@H](C[S@@](C)=O)NCc1ccc2c(c1)CCCO2	921988529	FFTPTWPPAJRYSM-BBATYDOGSA-N	267.394	1.868	10	20	CDCD	
C[C@@H](NC(=O)C1(S(C)(=O)=O)CC1)c1ccccc1O	827946976	XADBPHIJBBWTRU-SECBINFHSA-N	283.349	1.147	10	20	CDCD	
Nc1ccc(CN2CCO[C@@H]([C@@H]3CCCO3)C2)cc1	1120371072	OOUNCYJAQLNKGS-LSDHHAIUSA-N	262.353	1.649	10	20	CDCD	
Cn1ccc(NCc2ccc(N3CCOCC3)cc2)n1	37560276	OEKTUAOVWYIZAH-UHFFFAOYSA-N	272.352	1.869	10	20	CDCD	
CCOc1cccc(CN2CCC(CN)CC2)c1O	44511648	JMANDFOEALBGPO-UHFFFAOYSA-N	264.369	1.962	10	20	CDCD	
CN1CCC(CN(C)C(=O)Cc2ccc(N)cc2)CC1	63119542	ACZJWWOTBXJVIQ-UHFFFAOYSA-N	275.396	1.612	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1cn[nH]c1	173195984	QIZMXSXFMRUXLF-UHFFFAOYSA-N	272.308	1.515	10	20	CDCD	
CC[C@H]1C(=O)NCCN1Cc1cc(F)cc(C(C)=O)c1O	106361395	QHAWWGNKRWLJCM-ZDUSSCGKSA-N	294.326	1.444	10	20	CDCD	
Nc1ccc(CCNC(=O)CN2CCCCCC2=O)cc1	179042925	DLESNUTYCHNLAM-UHFFFAOYSA-N	289.379	1.330	10	20	CDCD	
CCS(=O)(=O)CCN(C)Cc1ccc(N(C)C)cc1	118532560	GFNVNGVLGCNCHB-UHFFFAOYSA-N	284.425	1.619	10	20	CDCD	
CN(Cc1nnc[nH]1)Cc1cc(Cl)ccc1O	179793571	KBFXJOUWCKZLOG-UHFFFAOYSA-N	252.705	1.796	10	20	CDCD	
Cc1cccc(CN2CCN(c3cnccn3)CC2)c1O	179714341	SVXVGTMPRGMISM-UHFFFAOYSA-N	284.363	1.813	10	20	CDCD	
COc1ccc(O)c(CNC(=O)NCc2ccncc2)c1	172064163	YWZVJNHEIQMRKK-UHFFFAOYSA-N	287.319	1.795	10	20	CDCD	
O=C(NC1CCN(Cc2ccccc2O)CC1)C1CC1	179906827	VPBILJBKQKXIAB-UHFFFAOYSA-N	274.364	1.883	10	20	CDCD	
Cc1ccccc1-n1c(C)cc(C(=O)NCC(N)=O)c1C	72781482	YJQKCJPASORWDQ-UHFFFAOYSA-N	285.347	1.618	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@H]1CCCO1	186438026	BSNIZMNRQDHPFQ-CMPLNLGQSA-N	279.336	1.714	10	20	CDCD	
CNC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	49177000	LJKJSEJCBCPKJC-LLVKDONJSA-N	263.341	1.513	10	20	CDCD	
COc1ccc(O)c(CN2CC[C@@H](CS(C)(=O)=O)C2)c1	292701085	CHWIMPOIRNRVCS-LLVKDONJSA-N	299.392	1.267	10	20	CDCD	
COC(=O)[C@@H]1CN(Cc2c(O)cccc2Cl)CCO1	131704538	RSFPLXTYWLCNJE-LBPRGKRZSA-N	285.727	1.419	10	20	CDCD	
O=S1(=O)CCCN(Cc2ccccc2O)CC1	226565111	YNYQKMGCNDQRCP-UHFFFAOYSA-N	255.339	1.013	10	20	CDCD	
Cc1cc(C(=O)NC2CNC2)c(C)n1-c1ccccn1	237719508	PEZLDVFSWHLHCN-UHFFFAOYSA-N	270.336	1.191	10	20	CDCD	
COc1cccc(CNC(=O)NC[C@H]2CCCCO2)c1O	266701935	GRMKLUMPOYLDKD-GFCCVEGCSA-N	294.351	1.769	10	20	CDCD	
CC[C@H](C(=O)NCc1ccc(N(C)C)c(F)c1)N(C)C	268740095	PKZPEIKIZOFQHG-CYBMUJFWSA-N	281.375	1.848	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@]1(O)CCSC1	272431100	LHLKLFFSRKGEDH-PMUGQKEBSA-N	295.360	1.095	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)Cn1cccn1	274290811	QSZIHLQCVGJRSG-UHFFFAOYSA-N	272.352	1.608	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](C)n1cccn1	274910328	IWZMRBPAORIOOV-GHMZBOCLSA-N	289.335	1.603	10	20	CDCD	
COC(=O)[C@@]1(F)CCN(Cc2cccc(C)c2O)C1	271889007	WWGVVRXONZTIFU-CQSZACIVSA-N	267.300	1.788	10	20	CDCD	
C[C@H]1CN(C(=O)c2cccc(O)c2O)C[C@]2(CCOC2)O1	280507372	LGPDCMZXNLMZME-BONVTDFDSA-N	293.319	1.118	10	20	CDCD	
CN(CCC(N)=O)Cc1c(O)ccc(Cl)c1F	809713215	DIJUBCDLKISBKO-UHFFFAOYSA-N	260.696	1.492	10	20	CDCD	
COC(=O)[C@@H](NCc1cc(Cl)c(F)cc1O)[C@H](C)O	294834339	YRQWMFYAOOXFMZ-KGFZYKRKSA-N	291.706	1.197	10	20	CDCD	
COCC[C@H](C)NC(=O)c1c(F)ccc(O)c1O	295402250	ZOMCYXZDCLXVFC-ZETCQYMHSA-N	257.261	1.392	10	20	CDCD	
CCCn1ncnc1COC(=O)c1ccc(C)c(O)c1O	801252347	TZTWATXLSFFVOR-UHFFFAOYSA-N	291.307	1.765	10	20	CDCD	
Cn1nnc(CNCc2ccc(N3CCCCC3)cc2)n1	398101778	IEMATNMINLFXFX-UHFFFAOYSA-N	286.383	1.490	10	20	CDCD	
O=C(CC1CC1)NCc1ccc(N2CCOCC2)cc1	299117504	SUNZLNJMELEWIR-UHFFFAOYSA-N	274.364	1.940	10	20	CDCD	
CC(=O)C(=O)COC(=O)c1ccc(C(C)=O)s1	808490251	CCGCWBGCDHYCIT-UHFFFAOYSA-N	254.263	1.266	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@](C)(O)C1CCC1	813514259	ZAZCSCHTQUFRMD-QFYYESIMSA-N	293.363	1.696	10	20	CDCD	
CN(C)c1cccnc1CNC(=O)c1cccc(O)c1O	811620936	MAFKHDNNOVYZGC-UHFFFAOYSA-N	287.319	1.489	10	20	CDCD	
CC(C)(C(=O)NCc1ccc(O)cc1O)N1CCCCC1	828912052	ITBKGWQBSHDLQB-UHFFFAOYSA-N	292.379	1.979	10	20	CDCD	
C[C@@H]1CN(Cc2cc(F)ccc2O)C[C@]1(C)CO	827700245	QTMRAKFJFMXELJ-QMTHXVAHSA-N	253.317	1.982	10	20	CDCD	
O=C(CN1CSCCSC1)NCc1ccccc1O	901123778	LPKVKVWZKOINOY-UHFFFAOYSA-N	298.433	1.705	10	20	CDCD	
Cc1cnc2c(c1)N(C(=O)/C=C\c1cn(C)cn1)CCO2	904076031	NJMICZPJJBSTDH-ARJAWSKDSA-N	284.319	1.562	10	20	CDCD	
CN(C)c1ccc([C@@H](CNCC2(C)COC2)N(C)C)cc1	902723552	KJXYWMPSESHHMK-MRXNPFEDSA-N	291.439	1.981	10	20	CDCD	
CN(C)c1ccnc(C(=O)NCCc2ccc(N)cc2)c1	832653137	QLJQEDXJCYWSFF-UHFFFAOYSA-N	284.363	1.702	10	20	CDCD	
COc1cccc(CN(C)[C@@H](COC(C)C)C(=O)O)c1O	833735596	QBHORDZRRXOONS-LBPRGKRZSA-N	297.351	1.711	10	20	CDCD	
CN(C)[C@@H](CNC(=O)c1cc(O)cs1)C1CC1	732274760	YSYOGLZEYICZEX-JTQLQIEISA-N	254.355	1.524	10	20	CDCD	
C[C@H](NC[C@@]1(C)CCC(=O)N1)c1cc(F)cc(F)c1O	834910204	VUDBCQSYVHGBLM-RMLUDKJBSA-N	284.306	1.990	10	20	CDCD	
CCN1C(=O)C(C)(C)N[C@@H]1c1cc([N+](=O)[O-])ccc1O	840830815	BAMNVDHDFOMZMD-NSHDSACASA-N	279.296	1.529	10	20	CDCD	
C/C=C/C[C@@H](CO)NC(=O)NCCc1ccc(N)cc1	841958613	HDXVTYWXSFKKLM-HSWBROFVSA-N	277.368	1.438	10	20	CDCD	
C[C@H](CCO)N(C)C(=O)NCc1ccc(N(C)C)c(F)c1	844936686	ZAJZQDSMTKCDTP-LLVKDONJSA-N	297.374	1.804	10	20	CDCD	
Cc1ccc(C(=O)N(C)[C@H](C)CCO)c(O)c1O	846602239	QUVGERSHFVPQHU-SECBINFHSA-N	253.298	1.249	10	20	CDCD	
Nc1ccc(NC(=O)NCCN2C[C@@H]3CC[C@H](C2)O3)cc1	841298428	PDDVNWKOTAHTLF-OKILXGFUSA-N	290.367	1.254	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)N[C@@H]2CCCN(C)C2=O)c1	858284935	DJDUCGWKMVMHQR-GFCCVEGCSA-N	291.351	1.121	10	20	CDCD	
COc1cccc(CNC(=O)C2(F)CCOCC2)c1O	866764308	SEJFKPAZCPUVKT-UHFFFAOYSA-N	283.299	1.536	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)c1cnn(CC2CC2)c1	866769499	LYYJDLRPCNCLRV-UHFFFAOYSA-N	287.319	1.634	10	20	CDCD	
Cc1cccc(O)c1CN1CC[C@H](OC(=O)N(C)C)C1	877558334	DEZSDBNMHJHPFE-LBPRGKRZSA-N	278.352	1.973	10	20	CDCD	
CN(CCCn1ccnc1)C(=O)c1cc(O)cs1	768323604	KYGMWLAOGCGWSC-UHFFFAOYSA-N	265.338	1.813	10	20	CDCD	
COc1cc(O)c(CNC[C@]2(OC)CCOC2)cc1OC	764681727	HPJAZJULMOJVPA-OAHLLOKOSA-N	297.351	1.305	10	20	CDCD	
COC(=O)C12CC(C(=O)NCc3cc(C)ccc3O)(C1)C2	862755821	ZDRIBFAZHZJQAN-UHFFFAOYSA-N	289.331	1.660	10	20	CDCD	
COCCOC[C@@H](C)NCc1ccc(C)cc1O	877066363	KCSMFDHJGKIDOJ-GFCCVEGCSA-N	253.342	1.842	10	20	CDCD	
CCOCCNCc1ccc(N2CCC(O)CC2)cc1	877145964	MRODYLKDTCHIFQ-UHFFFAOYSA-N	278.396	1.774	10	20	CDCD	
C[C@@H]1CN(Cc2ccc(N3CCN(C)CC3)cc2)CCN1	775638423	CWVIIUBKGCRKIM-OAHLLOKOSA-N	288.439	1.232	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2C[C@@H](O)C[C@H]2C)c1O	775103446	XZMIYRPTVSLQHY-SCZZXKLOSA-N	282.296	1.264	10	20	CDCD	
CN(C)c1ccc(CN[C@H](CO)C[C@@H]2CCCO2)cc1F	886226676	PTHRUVOBFCZGRD-KBPBESRZSA-N	296.386	1.911	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)NCC(=O)O)cc1F	780569703	YHCXMWBCUOJEGW-UHFFFAOYSA-N	297.330	1.556	10	20	CDCD	
Cc1ncoc1C(=O)OCC(=O)c1ccc(O)c(O)c1	784040110	OZVWBHMEAAGWDM-UHFFFAOYSA-N	277.232	1.434	10	20	CDCD	
CC1(C)OC[C@@H](CNC(=O)NCc2ccccc2O)O1	783202438	KRJASWQBBQSREI-LLVKDONJSA-N	280.324	1.343	10	20	CDCD	
Cc1ccc(C(=O)NC[C@H](O)c2ccncc2)c(O)c1O	780992720	BSLUSEXGIHBSQZ-LBPRGKRZSA-N	288.303	1.265	10	20	CDCD	
COCCN1CC[C@H](NCc2cc(C)cc(OC)c2O)C1	894273892	RUTKHVMSBJHQGB-AWEZNQCLSA-N	294.395	1.520	10	20	CDCD	
CCNC(=O)C(C)(C)NCc1ccc(OC)c(OC)c1O	894813893	VLVNKQFSKYMCTE-UHFFFAOYSA-N	296.367	1.414	10	20	CDCD	
O=C(O)C1CCN(C(=O)CSc2nccs2)CC1	48701950	HVNWICUVEVAHQU-UHFFFAOYSA-N	286.378	1.558	10	20	CDCD	
C[C@H](CO)NCc1cccc(Br)c1O	42411922	FXKDLBIULMEGDN-SSDOTTSWSA-N	260.131	1.625	10	20	CDCD	
CN(C)[C@H]1CCCN(C(=O)Cc2ccc(N)cc2)C1	82284175	KBQNYRUEYROBBI-AWEZNQCLSA-N	261.369	1.364	10	20	CDCD	
C[C@H]1C[C@@H](C)O[C@H]1C(=O)NCc1cccc(O)c1O	1348048504	ULHJDLHEIMPXPI-IGJMFERPSA-N	265.309	1.528	10	20	CDCD	
CC1CC(CNC(=O)C(=O)NCCc2ccc(N)cc2)C1	1347977462	GMLIWDXKQULQJA-UHFFFAOYSA-N	289.379	1.090	10	20	CDCD	
C[C@@H]1C(=O)CC[C@@H]1CC(=O)NCc1cccc(O)c1O	1348046009	GQIHTEJIRDUEBD-VHSXEESVSA-N	277.320	1.719	10	20	CDCD	
CC(C)(CCNC(=O)NCc1c(O)cccc1F)C(=O)O	1341367770	HASMSVQYZNRYTR-UHFFFAOYSA-N	298.314	1.831	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@H]2C[C@@H]2F)c1	1519817723	ODIHNLZSGXVTTQ-SWPVVBRQSA-N	253.273	1.936	10	20	CDCD	
O=C(O)C1=CC[C@@H](NCc2cc(F)ccc2O)C1	1601740157	IHHYHPHZWKLCGI-LLVKDONJSA-N	251.257	1.794	10	20	CDCD	
COc1ccc(CNC(C)(C)CC(=O)O)c(O)c1OC	1607259493	SOCNINZXZJGHOH-UHFFFAOYSA-N	283.324	1.752	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CCNC(=O)[C@H]2C)c1O	106358990	LGYVYSZBPDORRZ-MRVPVSSYSA-N	280.299	1.054	10	20	CDCD	
Cc1ocnc1CNC(=O)NCc1ccc(N)cc1	1579931286	ICFAGFTXAPCCHR-UHFFFAOYSA-N	260.297	1.565	10	20	CDCD	
CC[C@H](NCC1(C(N)=O)CCOCC1)c1ccccc1O	155108819	NXEMHEVFJKQBBR-ZDUSSCGKSA-N	292.379	1.715	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCC[C@@H](CCO)CC1	817698961	XZGBUAFYBFHRSP-LLVKDONJSA-N	279.336	1.723	10	20	CDCD	
COC[C@H](O)CNCc1ccc2c(c1)CCCO2	922110620	PZJKCDUNPMIYNA-CYBMUJFWSA-N	251.326	1.109	10	20	CDCD	
COc1ccc(N2CCN(Cc3nc[nH]n3)CC2)cc1	1237601971	JNKQSYODAWXICN-UHFFFAOYSA-N	273.340	1.136	10	20	CDCD	
CS(=O)(=O)C[C@H]1CCCCN1Cc1ccccc1O	824914132	MKFFBGVLDNLDJQ-CYBMUJFWSA-N	283.393	1.791	10	20	CDCD	
COc1cc(Cl)cc(CN(C)CCC(N)=O)c1O	289907115	XADBUCQYCJYNLZ-UHFFFAOYSA-N	272.732	1.361	10	20	CDCD	
CN(C(=O)CNC(=O)C(C)(C)C)c1ccc(N)cc1	702053754	OQALXXCWCZNCIW-UHFFFAOYSA-N	263.341	1.394	10	20	CDCD	
CCN1C[C@@H](N[C@@H](C)c2ccc(F)cc2O)CC1=O	391544142	OHQJWBDMNJYAIX-ONGXEEELSA-N	266.316	1.803	10	20	CDCD	
COCC(COC)N[C@H](C)c1cc(F)ccc1O	388504409	NRFSNDHJRJYJRO-SECBINFHSA-N	257.305	1.843	10	20	CDCD	
COc1ccc(O)c(CNCC2(N(C)C)CC2)c1	397969870	MIDFPBXUQGQLGB-UHFFFAOYSA-N	250.342	1.585	10	20	CDCD	
CC(=O)c1cc(F)cc(CN(C)[C@H](C)CCO)c1O	844448305	YLTMRHBJUYYQLF-SECBINFHSA-N	269.316	1.937	10	20	CDCD	
COC(=O)C[C@@H]1CSCCN1Cc1ccccc1O	179578856	LMQNORYLFRIONK-GFCCVEGCSA-N	281.377	1.873	10	20	CDCD	
CCONC(=O)N[C@H](C)c1cc(OC)ccc1O	171582655	FNZQKCNBYAQNQJ-MRVPVSSYSA-N	254.286	1.713	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)[C@@H]1CCCCO1	122110309	MYYIHIUCHQHFLM-ZDUSSCGKSA-N	265.309	1.326	10	20	CDCD	
CCN(CC)c1ccc(CN[C@H](CO)[C@@H](C)O)cc1	842220291	ADIZYMNYESGFAQ-IUODEOHRSA-N	266.385	1.364	10	20	CDCD	
CCS(=O)(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	49176437	JXOIQKPGCGNKOF-LBPRGKRZSA-N	298.408	1.524	10	20	CDCD	
COC[C@H](CN[C@@H](C)c1cc(F)ccc1O)OC	230672278	UAXGCNQWTMEHAN-ONGXEEELSA-N	257.305	1.843	10	20	CDCD	
COC(=O)NCCCC(=O)Nc1ccc(N)cc1	237272468	CRLIMNGNNSPMRU-UHFFFAOYSA-N	251.286	1.344	10	20	CDCD	
Cc1[nH]ncc1CCCNC(=O)c1c(F)ccc(O)c1O	276565455	MINUDQIJPJRDSU-UHFFFAOYSA-N	293.298	1.631	10	20	CDCD	
COC(=O)[C@@H](C)NC1CCN(c2ccc(OC)cc2)CC1	373489543	LIFGBKCKFPCUAU-GFCCVEGCSA-N	292.379	1.815	10	20	CDCD	
CN(CCC(N)=O)Cc1cc(Cl)cc([N+](=O)[O-])c1O	289765407	RBPGHRXLIAMINV-UHFFFAOYSA-N	287.703	1.261	10	20	CDCD	
CN(C)c1ccc(OCc2nnc3n2CCOC3)cc1	289493135	ZEZSGYCWXYDLSN-UHFFFAOYSA-N	274.324	1.453	10	20	CDCD	
CN(C)[C@H]1CCCC[C@H]1NC(=O)Cc1ccc(N)cc1	1349486079	DCNMCASZTGYHBT-CABCVRRESA-N	275.396	1.800	10	20	CDCD	
C[C@H]1C[C@@H](CO)CCN1Cc1cc2c(cc1O)OCO2	290269634	XTCZDIKQZQYQER-QWRGUYRKSA-N	279.336	1.714	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N(C)C(C)C	807100350	JRFIWCLKRYUFCF-UHFFFAOYSA-N	291.395	1.544	10	20	CDCD	
CCc1cc2c(=O)n(CC(=O)C(C)=O)cnc2s1	808017857	DBZFKVAETTXNNV-UHFFFAOYSA-N	264.306	1.179	10	20	CDCD	
COCc1nnc(N(C)Cc2ccccc2O)n1C	809834042	VWVZJHYTXGDJNN-UHFFFAOYSA-N	262.313	1.304	10	20	CDCD	
Cc1cc(C)c([C@@H](C)NCC(=O)N2CCNCC2)c(O)c1	817946273	VDHFLFAXVYBXBW-CYBMUJFWSA-N	291.395	1.091	10	20	CDCD	
C[C@H](NC[C@H]1CNCCCO1)c1cc(F)cc(F)c1O	817981627	MDGLMWSXNSWLSE-GXSJLCMTSA-N	286.322	1.700	10	20	CDCD	
NC(=O)CC1(CNCc2cc(Cl)ccc2O)CC1	817410931	JUTFTAVCOLVECJ-UHFFFAOYSA-N	268.744	1.791	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN[C@@H]1CCOC[C@@H]1[C@H](C)N	817893688	GQTJJYCWWIUYKT-IAOVAPTHSA-N	291.439	1.903	10	20	CDCD	
COc1ncc(/C=C\C(=O)N2CCCc3ncccc32)cn1	493592457	RIWQFGSPOLVJAG-SREVYHEPSA-N	296.330	1.873	10	20	CDCD	
C[C@@H](NC(=O)C[C@H]1COC(=O)C1)c1ccccc1O	827940846	JINGWAFVRNKSDR-NXEZZACHSA-N	263.293	1.523	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCC(c2nnc(O)o2)CC1	820063615	LTCLOWAOYJSEHX-UHFFFAOYSA-N	295.320	1.562	10	20	CDCD	
Cc1cccc(CN2CC[C@H]3NC(=O)CC[C@H]3C2)c1O	827133316	SPZCJGXMEFIKOK-GXTWGEPZSA-N	274.364	1.801	10	20	CDCD	
CCN1C[C@@H](NCc2ccc(N(C)C)c(F)c2)CC1=O	824887095	PSTRRQALPBOHBY-LBPRGKRZSA-N	279.359	1.602	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1CCO[C@@H](CC(=O)O)C1	901500614	COSHJDVEMJGULZ-HNNXBMFYSA-N	292.379	1.737	10	20	CDCD	
O=C(O)/C=C/c1ccc(N2CC[C@H](O)C2)c([N+](=O)[O-])c1	739627011	WNEJNMCVBXWZPG-YWNRKNDBSA-N	278.264	1.264	10	20	CDCD	
CCOC1CC(C(=O)NCc2ccc(O)cc2O)C1	910946958	WZJLKGQIGYOUJG-UHFFFAOYSA-N	265.309	1.529	10	20	CDCD	
Oc1cc2c(cc1CN1C[C@@H]3[C@H](C1)C3(F)F)[C@H](O)CO2	844758562	TXADFAZTCOLBQR-JFGNBEQYSA-N	283.274	1.515	10	20	CDCD	
COc1ccc(CNC(=O)Cc2cc(C)no2)c(O)c1	846060352	AUJVIGULMOCARD-UHFFFAOYSA-N	276.292	1.556	10	20	CDCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N[C@H](C)CO	840488074	IOHKXYGGCNUOPS-CHWSQXEVSA-N	293.411	1.672	10	20	CDCD	
CC[S@](=O)CCN[C@@H](C)c1cccc(OC)c1O	846148199	XQCFLJQXFVXPCM-YPMLDQLKSA-N	271.382	1.820	10	20	CDCD	
Oc1ccc(-c2csc([C@@H]3COCCN3)n2)cc1O	843289798	AIHGNIWRFWQMER-VIFPVBQESA-N	278.333	1.882	10	20	CDCD	
CCS(=O)(=O)CC(=O)N[C@H](C)c1ccccc1O	827930432	KDGRWSQQKHTAPG-SECBINFHSA-N	271.338	1.004	10	20	CDCD	
Nc1ccc(CC(=O)N2CCC[C@H]([C@H]3CCNC3)C2)cc1	841855309	DHSBEEKQDSMZTH-GJZGRUSLSA-N	287.407	1.659	10	20	CDCD	
CC(C)C[C@H](CN)NC(=O)NCCc1ccc(N)cc1	841953425	HQZLXYCRFBCVJM-CQSZACIVSA-N	278.400	1.484	10	20	CDCD	
CC[C@H](NC(=O)N[C@H](C)c1ccc(N(C)C)cc1)C(=O)O	929044278	LIDPLWCLTYDZKM-MFKMUULPSA-N	293.367	1.976	10	20	CDCD	
COc1ccc(N(C)CCN(C)C[C@H]2CCNC2)cc1	846226009	WKXRXODWVQCQLF-AWEZNQCLSA-N	277.412	1.673	10	20	CDCD	
O=C(NCc1ccccc1O)c1ccc(O)c([N+](=O)[O-])c1	755516185	NTAIUSBPEMGXOF-UHFFFAOYSA-N	288.259	1.936	10	20	CDCD	
Cc1ccnc(COC(=O)c2cc(O)cs2)n1	756191687	TZTNFLIHAFOJDV-UHFFFAOYSA-N	250.279	1.909	10	20	CDCD	
CCc1nc(COC(=O)/C=C\c2ccc(O)c(O)c2)no1	759581414	VMGWONDMWXJROR-XQRVVYSFSA-N	290.275	1.800	10	20	CDCD	
O=C(Cc1csc2nccn12)NCc1ccccc1O	767927425	QUZMLLDYZJRVPN-UHFFFAOYSA-N	287.344	1.960	10	20	CDCD	
CCC(=O)N1CCCN(Cc2c(O)cccc2OC)CC1	768925351	GIJXRIZFCJVVGG-UHFFFAOYSA-N	292.379	1.845	10	20	CDCD	
COc1cccc(O)c1CN1CCC[C@H](CCC(N)=O)C1	769187825	AMBFUPOAINIOSZ-GFCCVEGCSA-N	292.379	1.878	10	20	CDCD	
COc1cccc(O)c1CN1CC[C@@H](C)S(=O)(=O)CC1	763625550	JANAYSJXIFTMRE-LLVKDONJSA-N	299.392	1.410	10	20	CDCD	
CCO[C@H]1COCC[C@@H]1NCc1cc(F)ccc1O	761222164	IMCWPUUSELAHHU-JSGCOSHPSA-N	269.316	1.815	10	20	CDCD	
CN(CCn1cccn1)Cc1cc2c(cc1O)OC[C@H]2O	768446349	JRINDTKPCXCNLX-CQSZACIVSA-N	289.335	1.147	10	20	CDCD	
C[C@H](NC(=O)[C@H]1CCN(C)C1)c1ccc(N(C)C)cc1	773010382	UJITUGAKAPEPEI-JSGCOSHPSA-N	275.396	1.882	10	20	CDCD	
CCOc1ccc(CN2CCC[C@H](CO)C2)c(O)c1	771929221	VDFBZPFIZPOULA-LBPRGKRZSA-N	265.353	1.995	10	20	CDCD	
C/C=C\C[C@@H](CO)NCc1c(O)cccc1OC	883090040	AUQFGMRGEUIQMN-BYCRGOAPSA-N	251.326	1.818	10	20	CDCD	
C[C@@H]1C[C@H](NCCN2CCNC2=O)c2c(O)ccc(F)c21	886745231	RKEXEXHEVXRKAO-KOLCDFICSA-N	293.342	1.694	10	20	CDCD	
CCN1C(=O)C(C)(C)N[C@H]1c1cc(F)cc(F)c1O	887329757	OPIZOVUBXXHMKE-LLVKDONJSA-N	270.279	1.899	10	20	CDCD	
COCC[C@@]1(NC(=O)c2cccc(O)c2O)CCOC1	773343398	WVILWNJEWHOGKD-CQSZACIVSA-N	281.308	1.023	10	20	CDCD	
C[C@@H](O)[C@@H]1CCN(C(=O)NCc2ccc(N)cc2)C1	1120591951	NMAKKOMESCKDOT-ZYHUDNBSSA-N	263.341	1.181	10	20	CDCD	
CC(=O)NCCCN[C@@H](C)c1c(O)cccc1F	886497236	YADJPXDBFAYENH-VIFPVBQESA-N	254.305	1.708	10	20	CDCD	
Nc1ccc(OCc2cn(C[C@H]3CCCOC3)nn2)cc1	881228311	JGYYAKIWYPYBJT-GFCCVEGCSA-N	288.351	1.866	10	20	CDCD	
O=[N+]([O-])c1cc(Cl)cc(CN2C[C@@H]3C[C@]3(CO)C2)c1O	783734309	LHKIIAAMRMEAAH-TVQRCGJNSA-N	298.726	1.768	10	20	CDCD	
O=C(COC(=O)c1cncc(F)c1)c1ccc(O)c(O)c1	784118953	YLVAVHGZDBOSHP-UHFFFAOYSA-N	291.234	1.672	10	20	CDCD	
C[C@H](NC[C@@H](O)CN(C)C)c1c(O)cccc1F	886524337	ISLXPONXEYVKGQ-VHSXEESVSA-N	256.321	1.104	10	20	CDCD	
COc1ccc(CN[C@@H](C)c2ccn(C)n2)c(O)c1OC	894865012	CQJCXFHYDBRDDB-JTQLQIEISA-N	291.351	1.994	10	20	CDCD	
CC[C@H](C)[C@@](C)(O)CNC(=O)c1cccc(O)c1O	790759161	GJSFOIJRESQTSE-XPTSAGLGSA-N	267.325	1.625	10	20	CDCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NC[C@@H]1CNCCO1	1331835571	RIBGSHBEUZESPV-AGIUHOORSA-N	276.380	1.827	10	20	CDCD	
COC[C@@H](C)CNC(=O)NCc1ccc(N)cc1	1338732292	OTDSEZRRHQWHQH-JTQLQIEISA-N	251.330	1.351	10	20	CDCD	
CC(C)N[C@H]1CCCN(C(=O)NCc2ccc(N)cc2)C1	1262603194	AHHCQYADLSPKLU-HNNXBMFYSA-N	290.411	1.941	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNc1cc(=O)n(C)c(O)n1	1354109588	IEQYNZXEBPTQSV-UHFFFAOYSA-N	288.351	1.472	10	20	CDCD	
COc1ccc(N(C)CCN(C)Cc2nc[nH]n2)cc1	1350379917	BRDADWRXRXIHIG-UHFFFAOYSA-N	275.356	1.382	10	20	CDCD	
Cc1cc(O)c(CN2C[C@@H](O)C[C@@H](C(=O)O)C2)cc1C	1600286602	RQCRZGZYDLKNOH-OLZOCXBDSA-N	279.336	1.276	10	20	CDCD	
Oc1cc(F)c(F)cc1CN[C@H]1CNCC12CC2	1580888489	MODGXTJUJRJYJN-LBPRGKRZSA-N	254.280	1.512	10	20	CDCD	
C[C@@H](NCCC(=O)O)c1cc([N+](=O)[O-])ccc1O	1589126872	OBGNKCWZCWOUHC-SSDOTTSWSA-N	254.242	1.426	10	20	CDCD	
O=C(O)c1ccc(C(=O)NCc2cc(O)ccc2O)cc1	1595220583	QSRAGSIOCXXRQO-UHFFFAOYSA-N	287.271	1.726	10	20	CDCD	
O=C(O)c1ccc(NCc2ccc(F)cc2O)nn1	1777678967	NWUYNAPGEQHURB-UHFFFAOYSA-N	263.228	1.632	10	20	CDCD	
Cc1c(/C=C/C(=O)N2C[C@@H](C)Oc3ncccc32)cnn1C	151980141	PRQPXYMTLFLFMR-XUIVZRPNSA-N	298.346	1.951	10	20	CDCD	
COc1cccc(CC(=O)NCc2ccc(O)c(O)c2)c1	159003448	PTFCNOOKQCYJAQ-UHFFFAOYSA-N	287.315	1.965	10	20	CDCD	
CCN1CCCC[C@@H]1C(=O)NCCc1ccc(O)c(O)c1	154006769	KKJJXYWYUSYOOR-CYBMUJFWSA-N	292.379	1.631	10	20	CDCD	
CNC[C@@H]1CCCN1Cc1c(O)cccc1OC	843055199	GPTUNXRHVAPJER-NSHDSACASA-N	250.342	1.585	10	20	CDCD	
COc1cccc(O)c1CN1CC[C@@H](S(C)(=O)=O)C1	800533550	AZHUTDZOQQSMGC-SNVBAGLBSA-N	285.365	1.020	10	20	CDCD	
Cc1nonc1CNCc1ccc2c(c1)CCCO2	922327719	FHHJJXXNPWCGFD-UHFFFAOYSA-N	259.309	1.993	10	20	CDCD	
COc1ccc(O)c(CNCCc2ccnn2C)c1	231036716	BVHZIMXTPLIWDV-UHFFFAOYSA-N	261.325	1.467	10	20	CDCD	
CCCN(CC(=O)NC1CC1)Cc1ccccc1O	69009932	KCSREKXDZSKQCP-UHFFFAOYSA-N	262.353	1.883	10	20	CDCD	
CN(CCCN)Cc1cccc(Br)c1O	309394690	GIOKCYHCCGRNBM-UHFFFAOYSA-N	273.174	1.935	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)NCCN(C)C)cc1	179215345	FATAYBCWQXXBHW-UHFFFAOYSA-N	292.427	1.894	10	20	CDCD	
COc1ccc(O)c(CN2CCC[C@H](CNC(C)=O)C2)c1	183379016	FCEKHJUVPOAVCC-CYBMUJFWSA-N	292.379	1.749	10	20	CDCD	
C[C@@H](NC[C@@]1(O)CCOC1)c1ccc(F)cc1O	186177697	JBDXYNPWDIBACM-RNCFNFMXSA-N	255.289	1.333	10	20	CDCD	
Cc1cccc(CN(CC(N)=O)CC(C)C)c1O	124539608	ZKKQGVVXTRHJDP-UHFFFAOYSA-N	250.342	1.644	10	20	CDCD	
Cc1ccc([C@H](C)NC[C@H](C)N2CCN(C)CC2)c(O)c1	185365715	ZUXPYOCBWWVITQ-GJZGRUSLSA-N	291.439	1.987	10	20	CDCD	
COC(=O)N(C)CC(=O)N(C)Cc1ccc(N(C)C)cc1	47797449	VQGWYPHYMMLMQI-UHFFFAOYSA-N	293.367	1.409	10	20	CDCD	
CCN(C)C(=O)CNCc1cc(Cl)ccc1O	185180297	PBSGTBXVTASHFF-UHFFFAOYSA-N	256.733	1.614	10	20	CDCD	
Cc1nc(C(=O)N2CCOc3cc(N(C)C)ccc32)c[nH]1	270104144	OKODMPBYPRGEOQ-UHFFFAOYSA-N	286.335	1.823	10	20	CDCD	
COCCC(=O)NCc1cccc(Br)c1O	277543234	NMMGDOPUGHXSQK-UHFFFAOYSA-N	288.141	1.807	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1cncnc1	273997905	SOFLVKCJNFLQAO-UHFFFAOYSA-N	284.319	1.582	10	20	CDCD	
COc1cc(O)c([C@H]2NC(=O)CN2CC(C)C)cc1OC	271052515	QLWDUSXOVJIKDV-HNNXBMFYSA-N	294.351	1.496	10	20	CDCD	
O=C1N[C@H](c2cc(F)ccc2O)N2CCSC[C@H]12	270761662	DMEBDHQURFVFQN-KOLCDFICSA-N	268.313	1.077	10	20	CDCD	
CN(C)c1ccc(CN2CC[C@@H](n3cncn3)C2)cc1F	377282933	KSJICOAAHPKZOV-CYBMUJFWSA-N	289.358	1.930	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NCCN1CC=CCC1	280195418	JJTWOAPRGZJDRR-FNORWQNLSA-N	288.347	1.489	10	20	CDCD	
O=C(c1cccc(O)c1O)N1C[C@@]2(CCCO2)[C@@H]1C1CC1	294690313	GDJHASINFWHHEE-HOCLYGCPSA-N	289.331	1.881	10	20	CDCD	
Cc1cccc(CN(C)[C@@H](CO)COC(C)C)c1O	809768378	JBVBWVNWXRXLKI-AWEZNQCLSA-N	267.369	1.918	10	20	CDCD	
CC(=O)C(=O)Cn1c(-c2ccc(F)c(Cl)c2)noc1=O	809965670	NCMBAVWUGGISLQ-UHFFFAOYSA-N	298.657	1.454	10	20	CDCD	
Nc1ccc(OCc2cn(C[C@@H]3CCCO3)nn2)cc1	864644442	GICKTTJPXWDSMP-AWEZNQCLSA-N	274.324	1.618	10	20	CDCD	
COc1ccc(O)c(CNC(=O)Cn2cc(Cl)cn2)c1	806858453	OSSUNMQBNLAATC-UHFFFAOYSA-N	295.726	1.567	10	20	CDCD	
COC[C@H](O)CNCc1cc(Cl)cc(F)c1O	802659174	FJBWIDGCTYGVDE-SECBINFHSA-N	263.696	1.282	10	20	CDCD	
Cc1cc(C)c([C@H](C)NC[C@]2(O)CCN(C)C2)c(O)c1	815616391	NKRUKDFDMAXOQX-XJKSGUPXSA-N	278.396	1.726	10	20	CDCD	
Nc1ccc(NC(=O)C(=O)N[C@@H]2C[C@H]2C2CCC2)cc1	818645100	UJKGKHPAWZLHHL-QWHCGFSZSA-N	273.336	1.512	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)NCCCC1(O)CCC1	817645309	DVXPIKMMOQSUNR-XQRVVYSFSA-N	291.347	1.922	10	20	CDCD	
CCN(CC)c1ccc(CN(C)C(=O)[C@@H](N)COC)cc1	826019480	GNUUWYAHEVSKRN-HNNXBMFYSA-N	293.411	1.465	10	20	CDCD	
CN1CCN(C(=O)/C=C\c2cnn(C)c2)c2ccccc21	732028480	QLDFGJHCMDJQER-FPLPWBNLSA-N	282.347	1.916	10	20	CDCD	
COC(=O)CC(=O)NCCCSc1nccs1	906672408	YGTGPVCEYAWLHZ-UHFFFAOYSA-N	274.367	1.305	10	20	CDCD	
COCC1(C)CN(Cc2ccc([N+](=O)[O-])c(OC)c2O)C1	839143507	NTCMQKSCJQAZJD-UHFFFAOYSA-N	296.323	1.777	10	20	CDCD	
CCONC(=O)CNCc1c(O)ccc(Cl)c1F	846085006	HYFQVYNKNYPMQJ-UHFFFAOYSA-N	276.695	1.342	10	20	CDCD	
CCO[C@@H]1C[C@H]1C(=O)NCc1ccc(O)cc1O	910952490	VRIDRTBQGYFMRX-ZYHUDNBSSA-N	251.282	1.139	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1nc[nH]n1	746183825	ZHVJVEQAGOBXNQ-UHFFFAOYSA-N	259.313	1.109	10	20	CDCD	
CNS(=O)(=O)CCN[C@@H](C)c1ccc(Cl)cc1O	841751667	INCQCVHQERGKMJ-QMMMGPOBSA-N	292.788	1.245	10	20	CDCD	
CCN(C)c1ccc(Cn2cnnc2[S@@](C)=O)cc1	747809452	SGFRBCZAGUPJQM-LJQANCHMSA-N	278.381	1.520	10	20	CDCD	
CCC(N)(CC)CNC(=O)NCCc1ccc(N)cc1	841950688	BLWQSMRXFRBYCT-UHFFFAOYSA-N	278.400	1.628	10	20	CDCD	
CC(=O)NCC(C)(C)C(=O)NCc1ccccc1O	845833881	OXODSCYXJWYHCY-UHFFFAOYSA-N	264.325	1.171	10	20	CDCD	
NCc1ccc2c(c1)CCCN2C[C@H](O)Cn1cccn1	923286692	LLMHKPTYRZENMN-HNNXBMFYSA-N	286.379	1.156	10	20	CDCD	
COc1ccc(O)c(CN[C@@H](CCN)C(F)(F)F)c1	841090266	HKWKXUJYROCOKC-NSHDSACASA-N	278.274	1.770	10	20	CDCD	
CC[C@H](CN1CCOCC1)NCc1cccc(OC)c1O	922589162	HVVPWZPSRKPSHW-CQSZACIVSA-N	294.395	1.601	10	20	CDCD	
O=C(O)[C@@H](CNCc1cc2c(cc1O)OCO2)C1CCC1	854248372	VLCBOLYVCWLBNZ-NSHDSACASA-N	293.319	1.711	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CC[C@@H](CCN)C2)c1O	923493410	URDJSNTYQKNLBQ-LLVKDONJSA-N	280.343	1.905	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NCC2CCOCC2)c1	858275901	XZNZRVZDBXBETG-UHFFFAOYSA-N	278.352	1.926	10	20	CDCD	
CNC(=O)C(C)(C)CNCc1cc(F)c(N(C)C)cc1F	858154162	YXPNXAJFMGLTDJ-UHFFFAOYSA-N	299.365	1.893	10	20	CDCD	
CC(C)COC(=O)COC(=O)/C=C\c1ccc(O)c(O)c1	759594185	MAIORCJUNHKWEV-XQRVVYSFSA-N	294.303	1.853	10	20	CDCD	
NC(=O)CCC1CCN(C(=O)c2cc(O)cs2)CC1	768608432	AOSTVLCHQAIJCT-UHFFFAOYSA-N	282.365	1.571	10	20	CDCD	
Nc1ccc(NC(=O)C(=O)N[C@@H]2C[C@H]2C(F)(F)F)cc1	868299516	GPSXTWMTNZAKOE-RKDXNWHRSA-N	287.241	1.274	10	20	CDCD	
C[C@H](N[C@@H](CO)CC(F)F)c1cc([N+](=O)[O-])ccc1O	760041245	XIETWLFTAWTHJL-JGVFFNPUSA-N	290.266	1.967	10	20	CDCD	
CCOCCN(C)Cc1cc2c(cc1O)OC[C@@H]2O	771641411	LFTJCPARKPDKEQ-ZDUSSCGKSA-N	267.325	1.286	10	20	CDCD	
CCN(C)c1ccc(CN2C[C@@H](O)C[C@H]2C(=O)OC)cc1	773889556	XSSIPQJPDSKTHQ-GJZGRUSLSA-N	292.379	1.251	10	20	CDCD	
CNC(=O)NC(=O)[C@@H](C)N[C@H](C)c1ccc(N(C)C)cc1	774482012	DJSPVQNEWMPDKU-GHMZBOCLSA-N	292.383	1.247	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@]2(C)CCO[C@@H]2C)c1O	775060701	MFDHIDVLFSOGRQ-YMTOWFKASA-N	296.323	1.966	10	20	CDCD	
C[C@@H]1C[C@@H](CNC(=O)NCc2ccc(N)cc2)CCO1	1120527428	RPIZYVNMZIDIKC-YPMHNXCESA-N	277.368	1.883	10	20	CDCD	
C[C@@H](NCCC(=O)N(C)C)c1c(O)cccc1F	886519594	YVABGNFUZGQRFV-SECBINFHSA-N	254.305	1.660	10	20	CDCD	
Cc1ccc(C(=O)N2C[C@@H](C)N(C)C[C@H]2C)c(O)c1O	781009196	VCCGWCUCPNKUOP-GHMZBOCLSA-N	278.352	1.571	10	20	CDCD	
CC(=O)OC[C@@H](C)NCc1ccc(N(C)C)cc1	892475446	HVTMKJVCOYBESW-LLVKDONJSA-N	250.342	1.794	10	20	CDCD	
COc1ccc(CN[C@H](C)C(=O)NC(C)C)c(O)c1OC	894935529	ZWCPFYJRGYGFGU-SNVBAGLBSA-N	296.367	1.412	10	20	CDCD	
O=C(NCCc1nnc2ccccn12)c1cccc(O)c1O	790483385	QKHJKFHCEYCFDZ-UHFFFAOYSA-N	298.302	1.113	10	20	CDCD	
COc1ccc(O)c(CN2C[C@H](C)[S@@](=O)[C@H](C)C2)c1	792193634	ZUYIHIPKZNRSIV-QEAOQQLJSA-N	283.393	1.742	10	20	CDCD	
CN(Cc1ccccc1O)S(=O)(=O)c1ccoc1	795849335	VJVZIWPZXDSFJI-UHFFFAOYSA-N	267.306	1.806	10	20	CDCD	
COc1ccc(O)c([C@@H](C)N[C@H](C)C(=O)NC2CC2)c1	135727270	LLBYJTYLUMPRMZ-NXEZZACHSA-N	278.352	1.719	10	20	CDCD	
Cc1ccc(O)c(CNS(=O)(=O)N2CCCC[C@H]2C)c1	1329240153	ZHXLVHCGABWSMY-GFCCVEGCSA-N	298.408	1.909	10	20	CDCD	
Cc1nn(C)cc1CCC(=O)NCc1ccccc1O	1328471185	FKFYAVPKEAVGJT-UHFFFAOYSA-N	273.336	1.683	10	20	CDCD	
COc1ccc(O)c(CNCCCc2cnn(C)c2)c1	776155125	YZRACLXKMPOSOY-UHFFFAOYSA-N	275.352	1.857	10	20	CDCD	
CCOCCOCCN(C)C(=O)NCc1ccc(N)cc1	1335737034	KHFPUNVBWYFNFG-UHFFFAOYSA-N	295.383	1.463	10	20	CDCD	
O=C(NCc1ccccc1O)c1ccnc(F)c1F	97867177	RKCUNYAUSZJPOC-UHFFFAOYSA-N	264.231	1.995	10	20	CDCD	
COCCO[C@H]1C[C@H](CO)CN(Cc2ccc(N)cc2)C1	1334774461	ILBJJZCUUUYWQJ-HOCLYGCPSA-N	294.395	1.115	10	20	CDCD	
CC(C)OC[C@@H](CO)N(C)C(=O)NCc1ccc(N)cc1	1262603679	RDFWBBKXSJKKOF-CQSZACIVSA-N	295.383	1.196	10	20	CDCD	
CCCCNC(=O)CSc1ncc(C(=O)O)s1	1609971642	WZJDVLPZCGAHIZ-UHFFFAOYSA-N	274.367	1.850	10	20	CDCD	
Cc1cccc(CN[C@]2(CC(=O)O)CCOC2)c1O	1607852468	LIGDZEYHQDVLJL-AWEZNQCLSA-N	265.309	1.424	10	20	CDCD	
C[C@@H](CC(=O)O)N[C@@H](C)c1cc([N+](=O)[O-])ccc1O	1609888677	PKRLMLJQUKNTIC-YUMQZZPRSA-N	268.269	1.814	10	20	CDCD	
Cc1cccc(O)c1CN1CCC([C@@H](O)C(=O)O)CC1	1600543445	WXLZJLHAHDUAAX-CQSZACIVSA-N	279.336	1.358	10	20	CDCD	
O=C(O)C1(C(=O)NCc2cccc(Cl)c2O)CC1	1601702226	DOPMHWLOSSQTAO-UHFFFAOYSA-N	269.684	1.527	10	20	CDCD	
C[C@H](NC(=O)[C@@H]1CC[C@@H]1C(=O)O)c1ccccc1O	1605042438	KQCJVJMKDQILSQ-GDPRMGEGSA-N	263.293	1.680	10	20	CDCD	
C[C@H](Nc1ccc(-c2nn[nH]n2)nn1)c1ccccc1O	1591770852	KPRWSIJJQYZZNP-QMMMGPOBSA-N	283.295	1.535	10	20	CDCD	
C[C@@H](Sc1ncc(C(=O)O)s1)c1nncn1C	1593678597	UGCAJIBJRAAKNL-RXMQYKEDSA-N	270.339	1.823	10	20	CDCD	
O=C(Nc1c(Cl)ccc2nonc12)[C@H]1CC[C@H]1C(=O)O	1594798945	SOQIFRCVTNIEIF-NTSWFWBYSA-N	295.682	1.926	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)c1n[nH]c2c1CCC2	158879215	QCQUREXMBQYQAN-UHFFFAOYSA-N	273.292	1.240	10	20	CDCD	
CCN(CCCN(C)C)Cc1cc2c(cc1O)OCO2	230744866	BRVHQAFIIFFMSI-UHFFFAOYSA-N	280.368	1.895	10	20	CDCD	
COc1cccc(CNC[C@]2(OC)CCOC2)c1O	122878991	IBVAOBGLZRPKQM-CQSZACIVSA-N	267.325	1.296	10	20	CDCD	
CC(C)(C)N1CCN(C(=O)c2cccc(O)c2O)CC1	126285370	NOKCXRSMVPWCTN-UHFFFAOYSA-N	278.352	1.654	10	20	CDCD	
C[C@@H](NCCNC(=O)C1CC1)c1cc(F)ccc1O	168735080	XQZKUXXHWAIKRJ-SECBINFHSA-N	266.316	1.708	10	20	CDCD	
C[C@@H](NCCNC(=O)C1CC1)c1ccc(F)cc1O	168733938	MXJVAGRVMSRFIP-SECBINFHSA-N	266.316	1.708	10	20	CDCD	
COc1cccc(CNCC2CCN(C)CC2)c1O	44515639	QIOJEINUXJDJEJ-UHFFFAOYSA-N	264.369	1.832	10	20	CDCD	
CC(=O)NCCN(C)Cc1cc(Cl)ccc1O	308323172	ZZWVNSJYTIRRGT-UHFFFAOYSA-N	256.733	1.614	10	20	CDCD	
CCOC[C@@H]1CN(Cc2cc(F)ccc2O)CCO1	529664831	DYNQSYOXTJQTSO-ZDUSSCGKSA-N	269.316	1.769	10	20	CDCD	
CCc1cccc(CN2CC[C@@](C)(C(=O)NC)C2)c1O	692092364	KSYZEQDTOXPNIB-MRXNPFEDSA-N	276.380	1.913	10	20	CDCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NCC1(CO)COC1	717617336	VNYDFSVTQQQZBQ-NEPJUHHUSA-N	277.364	1.847	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CCC[C@@H]2CO)c1O	50150219	RWIRDVNQNHDTJQ-GFCCVEGCSA-N	267.300	1.691	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)c1cc(C2CC2)[nH]n1	178444636	ZUGQLCURPRUVRE-UHFFFAOYSA-N	273.292	1.628	10	20	CDCD	
CCOC(=O)CN(CC)Cc1cc(OC)ccc1O	179829658	YWJFSJJYMNMQIF-UHFFFAOYSA-N	267.325	1.786	10	20	CDCD	
OC[C@H]1CC[C@H](NCc2cc3c(cc2O)OCO3)CC1	153115003	QEMQYTSBAUDZHE-KLPPZKSPSA-N	279.336	1.762	10	20	CDCD	
C[C@@H](N[C@@H]1CCC(=O)N(C)C1)c1ccc(F)c(F)c1O	187728409	JUUZJQWGKCPLSG-RKDXNWHRSA-N	284.306	1.942	10	20	CDCD	
C[C@@H]1CCNC(=O)[C@@H]1NCc1ccc(N(C)C)cc1	193588497	DRIVEPKQWPJAID-BXUZGUMPSA-N	261.369	1.367	10	20	CDCD	
COc1cc(Cl)cc(CN2CCC[C@@H](N)C2)c1O	229102530	YMMPRSILUBEASQ-LLVKDONJSA-N	270.760	1.977	10	20	CDCD	
CCOc1ccc(O)c(CN2CCCN(C(N)=O)CC2)c1	92754311	SOHCTYGTJXXHFQ-UHFFFAOYSA-N	293.367	1.377	10	20	CDCD	
CN(Cc1ccon1)Cc1cc2c(cc1O)OCO2	265769608	CODZKYRJWCSICT-UHFFFAOYSA-N	262.265	1.741	10	20	CDCD	
COCC1(C(=O)Nc2ccc(N)cc2)CCNCC1	366788622	VMRLOYAMORBURD-UHFFFAOYSA-N	263.341	1.224	10	20	CDCD	
Cn1cc(CCCNC(=O)c2c(F)ccc(O)c2O)cn1	276511166	BFFNCMSMFSLHFR-UHFFFAOYSA-N	293.298	1.333	10	20	CDCD	
CN(C[C@H]1CCOC1)C(=O)c1c(F)ccc(O)c1O	276672432	ZIURYUZLLPMDCY-MRVPVSSYSA-N	269.272	1.345	10	20	CDCD	
COC(=O)CN(Cc1cc(OC)ccc1O)C1CC1	271841857	QIQLXIRTPGIYRH-UHFFFAOYSA-N	265.309	1.538	10	20	CDCD	
CCCN(CC(=O)OC)C(=O)c1ccc(C)c(O)c1O	272839429	RAOIPFCKVQLBLH-UHFFFAOYSA-N	281.308	1.431	10	20	CDCD	
Oc1ccc(F)cc1CN[C@@H]1CCO[C@]2(CCOC2)C1	373143295	WSJIKSSHOUMUGV-UKRRQHHQSA-N	281.327	1.959	10	20	CDCD	
Cc1ccc(O)c(CN2C[C@H](N3CCOCC3)C[C@@H]2C)c1	289803334	SMZBJAYMUGCREN-GOEBONIOSA-N	290.407	1.996	10	20	CDCD	
COc1ccc(O)c(CNC[C@@H](CO)[C@@H]2CCOC2)c1	281010306	YMEILJIZRUDXHW-YPMHNXCESA-N	281.352	1.135	10	20	CDCD	
CC[C@H](N[C@@H](C)C(=O)NC)c1ccc(N(C)C)cc1	291998359	XJXGGFXXGQFKOG-FZMZJTMJSA-N	263.385	1.928	10	20	CDCD	
CCS(=O)(=O)CCN(C)Cc1ccc(N(C)C)c(C)c1	293933051	ZAKAXBDUPPNIBE-UHFFFAOYSA-N	298.452	1.928	10	20	CDCD	
C[C@H](NCc1cc(Cl)cc(F)c1O)C(=O)NCCF	800530836	VZWCFQKQXSRZJE-ZETCQYMHSA-N	292.713	1.749	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)Nc2cnnn2C)c1	809905504	ABSPHFVEVPZGBZ-MRVPVSSYSA-N	291.311	1.412	10	20	CDCD	
NC(=O)CC1(CNCc2cc(F)ccc2O)CC1	817410933	JXEHHDNVCYFDPD-UHFFFAOYSA-N	252.289	1.277	10	20	CDCD	
Cc1cc(CN2CCCS(=O)(=O)CC2)ccc1N(C)C	815050860	IPDIQLOFNYKYJM-UHFFFAOYSA-N	296.436	1.682	10	20	CDCD	
COc1cccc(CN2CC[C@H](N3CCOC3=O)C2)c1O	826995117	QSOYWVNIOOJUFI-LBPRGKRZSA-N	292.335	1.427	10	20	CDCD	
Oc1ccc(F)cc1CN1C[C@@H]2[C@@H](C1)[C@H]1C=C[C@H]2O1	824838782	RLLRFCAYDMQDQM-QHSBEEBCSA-N	261.296	1.917	10	20	CDCD	
O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1C[C@H]1C(=O)O	739547654	NBTNOBKCTUVLAI-UONOGXRCSA-N	288.347	1.624	10	20	CDCD	
C[C@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)C(C)(C)O	738991591	QRKUJCLILKKUKW-JTQLQIEISA-N	297.374	1.850	10	20	CDCD	
CO[C@@H](C1CC1)[C@H](C)NC(=O)c1ccc(C)c(O)c1O	837014607	QEJHWMCCICHKPE-LKFCYVNXSA-N	279.336	1.950	10	20	CDCD	
Cc1ccc(C(=O)NCCC[C@@H]2CCOC2)c(O)c1O	837068670	WDAWPCWIXDCPCP-LLVKDONJSA-N	279.336	1.953	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)[C@H]1CCCSC1	910945004	RWURHNWYYAXTAP-JTQLQIEISA-N	267.350	1.857	10	20	CDCD	
C[C@H]1CN(Cc2ccc(N3CCOCC3)cc2)C[C@H](C)N1	843051485	JHXCKTILCNECPQ-GJZGRUSLSA-N	289.423	1.705	10	20	CDCD	
Cc1cc(O)c(CN[C@H]2CCc3c(nnn3C)C2)cc1C	848565251	GRBKZWYRCHZXGT-ZDUSSCGKSA-N	286.379	1.785	10	20	CDCD	
CC[C@H](NC(=O)NCCc1ccc(N)cc1)[C@H](C)O	841955667	JLXHSCYKGLWUHH-GWCFXTLKSA-N	265.357	1.270	10	20	CDCD	
C[C@@H](N)[C@@H]1CN(Cc2c(O)ccc(Cl)c2F)CCO1	843056784	ZSYZTVSYIWSLCJ-PELKAZGASA-N	288.750	1.733	10	20	CDCD	
C[C@H]1[C@H](CO)CCCN1C(=O)c1cccc(O)c1O	840558814	KOAVYZIUCNSHQI-UWVGGRQHSA-N	265.309	1.331	10	20	CDCD	
C[C@@H]1C[C@@H](NC(=O)c2cc(O)cs2)CCN1C	743638975	TXDKJZPSVDYLRB-BDAKNGLRSA-N	254.355	1.666	10	20	CDCD	
CCCN1CC(=O)N[C@H]1c1ccc(OCC)cc1O	840820910	AEJDDXADTTUXJK-CQSZACIVSA-N	264.325	1.631	10	20	CDCD	
C[C@H](CN)CNC(=O)N(C)Cc1ccc(N(C)C)cc1	841962312	HZYRWUUXDTWHBO-GFCCVEGCSA-N	278.400	1.489	10	20	CDCD	
Cn1cncc1CC(=O)NCc1cc(Cl)ccc1O	857548200	IJHFPLCHAWNKIY-UHFFFAOYSA-N	279.727	1.638	10	20	CDCD	
CN(Cc1cc2c(cc1O)OC[C@@H]2O)C[C@H]1CCCCO1	768442599	MHRZRFJEGKCEAP-DOMZBBRYSA-N	293.363	1.819	10	20	CDCD	
COC(=O)CN(C)Cc1c(O)cccc1Br	862225344	RYFZJIZNJGKEAX-UHFFFAOYSA-N	288.141	1.760	10	20	CDCD	
CCn1ncnc1CNCc1ccc2c(c1)CCCN2C	876986644	HQFNMDMVPZPWDN-UHFFFAOYSA-N	285.395	1.970	10	20	CDCD	
CN1CCN(c2ccc(CNC(C)(C)CCO)cc2)CC1	771842485	OHYMBUFBDVCRQK-UHFFFAOYSA-N	291.439	1.689	10	20	CDCD	
Nc1ccc(CCNC(=O)C(=O)N[C@@H]2CC=CCC2)cc1	1117973359	VELIZDKDIUCURX-CQSZACIVSA-N	287.363	1.152	10	20	CDCD	
COc1cc(O)c(CNCc2cc(C)ncn2)cc1OC	776254562	ZSSUUKSTTJXJOI-UHFFFAOYSA-N	289.335	1.798	10	20	CDCD	
O=C(CNCc1cc(F)cc(F)c1O)NC1CCCC1	882992855	UIRCVGHREUHUGF-UHFFFAOYSA-N	284.306	1.819	10	20	CDCD	
CCc1nn(C)cc1S(=O)(=O)Nc1ccc(O)cc1C	882706735	YQUUDTWKEMNSLM-UHFFFAOYSA-N	295.364	1.797	10	20	CDCD	
COc1cccc(O)c1CN1CCN(CC(C)C)C(=O)C1	783680919	ZEYKBYGHFPLUSQ-UHFFFAOYSA-N	292.379	1.701	10	20	CDCD	
CC(C)(C)C[C@@H](CO)NC(=O)NCc1ccc(N)cc1	1120591678	FMVRCILIUOAVAT-ZDUSSCGKSA-N	279.384	1.865	10	20	CDCD	
CN(Cc1cc(F)cc(F)c1O)Cc1nnc2n1CCC2	893916548	KUZLVYIUOIETIX-UHFFFAOYSA-N	294.305	1.840	10	20	CDCD	
COCc1ncsc1C(=O)NCc1ccc(O)c(O)c1	786411665	WNUQSUDHXMLLAC-UHFFFAOYSA-N	294.332	1.631	10	20	CDCD	
COCC[C@@H](C)NCc1ccc(OC)c(OC)c1O	892784872	ONYJZRQUDGSSIR-SNVBAGLBSA-N	269.341	1.924	10	20	CDCD	
CC[C@H](NC[C@H]1COCCO1)c1ccc(F)cc1O	796695555	QDWMOGLHBMWWDF-AAEUAGOBSA-N	269.316	1.987	10	20	CDCD	
COc1ccc(CNC(=O)[C@H](OC)C(C)C)c(O)c1	794387294	HXNHHJCHYNJDPV-CYBMUJFWSA-N	267.325	1.688	10	20	CDCD	
COc1ccc(CNC[C@@]2(O)CCN(C)C2)cc1C	702641463	MMMZQYKSBOEZEQ-HNNXBMFYSA-N	264.369	1.160	10	20	CDCD	
O=[N+]([O-])c1cnc(NCCc2ccc(O)c(O)c2)nc1	302120987	UHINAYSYEWLHPY-UHFFFAOYSA-N	276.252	1.451	10	20	CDCD	
CCc1cccc(CN(C)[C@@H](C)CS(C)(=O)=O)c1O	688551940	RWYGGZQCOYUDPX-NSHDSACASA-N	285.409	1.820	10	20	CDCD	
Cc1cnc(CNc2ccccc2OCCC(N)=O)[nH]1	693498424	HFAUGZXPLUOEEA-UHFFFAOYSA-N	274.324	1.584	10	20	CDCD	
CCc1cccc(CNC[C@H](C)S(C)(=O)=O)c1O	697642420	NMRWLLRYTASUGZ-JTQLQIEISA-N	271.382	1.477	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2C[C@H]3C[C@@]3(CO)C2)c1O	782626281	ZVKYZWCPMMFPGP-ABAIWWIYSA-N	279.311	1.548	10	20	CDCD	
CCCN1CCC[C@@H]1C(=O)NCc1cccc(O)c1O	1347543237	YYPRWFXQAVAWNH-GFCCVEGCSA-N	278.352	1.588	10	20	CDCD	
CC1(C)[C@H](NC(=O)NCc2ccc(N)cc2)[C@@H]2CCO[C@H]21	1353351769	OQJBSBXAGRAGIW-BFHYXJOUSA-N	289.379	1.882	10	20	CDCD	
Nc1ccc(CNC(=O)N2CC[C@]3(CCOC3)C2)cc1	1353539138	IBDIYFPZIFNGFZ-HNNXBMFYSA-N	275.352	1.591	10	20	CDCD	
CC(=O)Nc1ccc(C(=O)Oc2ccc(N)cc2)nc1	1575018715	MQMZTWLKUDHJFD-UHFFFAOYSA-N	271.276	1.841	10	20	CDCD	
CNCCOCCNCc1ccc2c(c1)CCCO2	1578710170	YDSNCMGXWQXACI-UHFFFAOYSA-N	264.369	1.337	10	20	CDCD	
C[C@H](CC(=O)O)CC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	1592381561	JUCDZZYCYANRCA-UWVGGRQHSA-N	295.335	1.646	10	20	CDCD	
CC(C)C[C@@H](N)CN(C)c1ccc(OCC(=O)O)cc1	1591161762	OTZSKCJOXCCXIL-GFCCVEGCSA-N	280.368	1.960	10	20	CDCD	
C[C@H](NC[C@H](O)[C@@H]1CCCO1)c1cc(C(=O)O)ccc1O	1593246016	FZTLAOSVYUCUPZ-HERUPUMHSA-N	295.335	1.281	10	20	CDCD	
COc1ccc(CN[C@@H]2C[C@@]3(C(=O)O)C[C@@H]23)cc1C	1777364609	IEGWAIMXIRRRBW-ZOWXZIJZSA-N	261.321	1.956	10	20	CDCD	
Cc1cc(C(=O)NCC(C)(C)N)c(C)n1-c1ccccn1	160062325	CVKPLUQXXFLUTD-UHFFFAOYSA-N	286.379	1.956	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)[C@@H](C)N)cc1F	167741464	HZIQQARRVPDBGG-SNVBAGLBSA-N	267.348	1.635	10	20	CDCD	
CCc1nc(C(=O)NCc2cc(OC)ccc2O)co1	159383764	TTZPMXMKLOHNCU-UHFFFAOYSA-N	276.292	1.881	10	20	CDCD	
CCc1cccc(CN2CC[C@@H](CS(C)(=O)=O)C2)c1O	848913361	UZIRFQQRVTXSEN-GFCCVEGCSA-N	297.420	1.821	10	20	CDCD	
CN(C)C(=O)[C@H]1CCN(Cc2c(O)cccc2Cl)C1	840957154	GJDFRMYNZIDNHX-JTQLQIEISA-N	282.771	1.956	10	20	CDCD	
COc1ccc(O)c(CN2CCC([C@@H](C)N)CC2)c1	104140746	FKLZUTQMTKEYLT-LLVKDONJSA-N	264.369	1.960	10	20	CDCD	
CC(C)N1CC[C@@H](CNC(=O)c2cccc(O)c2O)C1	126365203	JPERRBXACLJBTN-NSHDSACASA-N	278.352	1.558	10	20	CDCD	
CN(C)C(=O)CNCc1ccc(N2CCCCC2)cc1	37207363	HXXXUOFLFDVMIU-UHFFFAOYSA-N	275.396	1.855	10	20	CDCD	
COc1cccc(CNC[C@](C)(O)C(F)(F)F)c1O	270566160	RVIXBLZJIWGERK-NSHDSACASA-N	279.258	1.804	10	20	CDCD	
O=C(NCc1ccc(N2CCOCC2)cc1)N1CCC1	54786602	CBIKPQDJNNYCAU-UHFFFAOYSA-N	275.352	1.439	10	20	CDCD	
CC(=O)c1cc(F)cc(CN(C)CC(=O)NC2CC2)c1O	50149105	PNNMYSGODAWNJA-UHFFFAOYSA-N	294.326	1.444	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)[C@H]1CCCCO1	122110574	MYYIHIUCHQHFLM-CYBMUJFWSA-N	265.309	1.326	10	20	CDCD	
COc1cc(C)cc(CN(C)[C@@H]2CCS(=O)(=O)C2)c1O	122440463	GLFHIBDNNUAJGX-GFCCVEGCSA-N	299.392	1.328	10	20	CDCD	
COc1cc(O)c(CNC[C@@](C)(O)C(C)C)cc1OC	182222149	DJGZQUCZCBGJKG-OAHLLOKOSA-N	283.368	1.906	10	20	CDCD	
COc1cccc(CN2CC[C@@H](C)[C@H]2CO)c1O	191186371	ZRNBYJHVHXFXIO-ZYHUDNBSSA-N	251.326	1.604	10	20	CDCD	
COc1cccc(CN2CCS(=O)(=O)CC[C@@H]2C)c1O	192056141	GMAPFUPRUVNURK-NSHDSACASA-N	299.392	1.410	10	20	CDCD	
COc1ccc(N(C)CC(=O)NCC(C)C)c(OC)c1	131615833	AYCWGDHEYOHHBH-UHFFFAOYSA-N	280.368	1.912	10	20	CDCD	
CN(C)c1ccc(/C=C/c2nc3c(cnn3C)c(=O)[nH]2)cc1	193585751	RWZODXCRPUWJQR-RMKNXTFCSA-N	295.346	1.893	10	20	CDCD	
COc1cccc(CN2CCC[C@@H]([C@@H](C)O)C2)c1O	136822928	CLSYDXPEKMBVTP-VXGBXAGGSA-N	265.353	1.994	10	20	CDCD	
CCOc1cccc(CN[C@@H](C)CC(N)=O)c1O	161577012	AVJMEIJIJOQEQJ-VIFPVBQESA-N	252.314	1.144	10	20	CDCD	
COC[C@@H](C)CNCc1cc2c(cc1O)OCO2	45658155	NKCQJZXHDKZLJK-VIFPVBQESA-N	253.298	1.493	10	20	CDCD	
CC(C)Oc1cc(O)ccc1NS(=O)(=O)c1cn[nH]c1	277615378	IVFWVALPLMNKMQ-UHFFFAOYSA-N	297.336	1.703	10	20	CDCD	
C[C@@]1(CNC(=O)c2c(F)ccc(O)c2O)CCCC[C@@H]1O	276658079	XNXUQMSNMRGNSS-NHYWBVRUSA-N	297.326	1.908	10	20	CDCD	
CC(C)[C@H](O)CN[C@@H](C)c1cc([N+](=O)[O-])ccc1O	273574762	LPSRDAZEXADBJJ-TVQRCGJNSA-N	268.313	1.968	10	20	CDCD	
CCCCN(Cc1ccccc1O)C(=O)CNC(C)=O	282520738	PMPPKBPXMXUUIG-UHFFFAOYSA-N	278.352	1.657	10	20	CDCD	
COCCOC[C@H](O)CN(C)c1ccc(OC)c(F)c1	296682840	BRBMGMFYKGTSAJ-GFCCVEGCSA-N	287.331	1.294	10	20	CDCD	
Cc1ccc(C(=O)NCCCOC(F)F)c(O)c1O	801525628	WYWRIPSFJPCJHF-UHFFFAOYSA-N	275.251	1.765	10	20	CDCD	
COC(=O)[C@]1(NCc2ccc(N(C)C)c(C)c2)CCOC1	293726878	GDVJLPHPTJFDEM-INIZCTEOSA-N	292.379	1.483	10	20	CDCD	
CC[C@@H](NC[C@H](N)c1ccc(N(C)C)cc1)[C@@H]1CCCN1	817940698	GWNYWVVTAPYWBD-BBWFWOEESA-N	290.455	1.873	10	20	CDCD	
COc1ccc(CNC(=O)NCCc2cn[nH]c2)c(O)c1	811932555	YFXUFZKPFUHEKA-UHFFFAOYSA-N	290.323	1.166	10	20	CDCD	
CN(C)c1ccc(CN2CC[C@H](C(=O)O)C2)cc1F	820548083	WLIFQZZLDFQYND-NSHDSACASA-N	266.316	1.798	10	20	CDCD	
O=C(c1c(F)ccc(O)c1O)N1CCO[C@@H](CF)C1	839803619	HMYLHJMLHBTRAL-ZETCQYMHSA-N	273.235	1.047	10	20	CDCD	
C[C@@H]([C@@H](C)N(C)C(=O)c1cc(O)cs1)S(C)(=O)=O	733366296	PYCFSEMJEGZHAH-SFYZADRCSA-N	291.394	1.347	10	20	CDCD	
CCc1ccc(CC(=O)NCc2ccc(O)c(O)c2)nc1	830558778	BFWYASJZNUTZDQ-UHFFFAOYSA-N	286.331	1.914	10	20	CDCD	
CC(C)OC(=O)[C@H](C)NC(=O)/C=C\c1ccc(O)c(O)c1	837027833	PPKRPPUYRFOKRZ-BXKUYDPTSA-N	293.319	1.567	10	20	CDCD	
COc1ccc(N(C)CCN(C)C(=O)N(C)C)cc1	844779969	YHTLEAQQPQOBLO-UHFFFAOYSA-N	265.357	1.745	10	20	CDCD	
CC[C@H](N)CNC(=O)N(C)Cc1ccc(N(C)C)cc1	842008700	WNELUTUXWRZDAF-ZDUSSCGKSA-N	278.400	1.631	10	20	CDCD	
CCOc1ccc(CNC[C@@H]2CC(=O)N(CC)C2)c(O)c1	846093739	QKINTVHYIBFNEN-LBPRGKRZSA-N	292.379	1.749	10	20	CDCD	
C[C@@H]1CCNC[C@@H]1NCc1ccc(N2CCOCC2)cc1	841059229	NQUDPRAMTGFBHB-PBHICJAKSA-N	289.423	1.611	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@H]1CCc2ncncc2C1	843819996	IJEUQKDTEFADGX-LBPRGKRZSA-N	297.358	1.946	10	20	CDCD	
COc1cccc([C@@H](C)NCc2ncn(C)n2)c1O	846160759	YPCQTPVRWVBRRJ-SECBINFHSA-N	262.313	1.380	10	20	CDCD	
CCC(O)(CC)CNC(=O)NCCc1ccc(N)cc1	841956518	GKRSLUWOMZRBFC-UHFFFAOYSA-N	279.384	1.662	10	20	CDCD	
CCc1cccc(CN2C[C@@H](O)C[C@@H](C(=O)OC)C2)c1O	848919862	UAHCCJZVTOPGPB-KGLIPLIRSA-N	293.363	1.310	10	20	CDCD	
CC[C@H](N)CNC(=O)NCc1ccc(N(C)C)cc1	841656337	ZUOBJPQCGAQFDK-LBPRGKRZSA-N	264.373	1.289	10	20	CDCD	
CCOc1ccc(N(CC)CC2(CO)COC2)cc1	756822843	AYYLRZDTDMPADB-UHFFFAOYSA-N	265.353	1.921	10	20	CDCD	
COc1ccc(CNC(=O)NCc2ocnc2C)c(O)c1	923796948	AKMVCKYHUVVOJQ-UHFFFAOYSA-N	291.307	1.697	10	20	CDCD	
CONC(=O)NCc1ccc(N2CCC(O)CC2)cc1	854000923	AUHBUGMGMYNAKT-UHFFFAOYSA-N	279.340	1.008	10	20	CDCD	
COC1CCN(CCNC(=O)c2cc(O)cs2)CC1	751069776	KDOUVPUHSLVLCX-UHFFFAOYSA-N	284.381	1.294	10	20	CDCD	
Cc1ccc(C(=O)NC[C@H](CO)CC2CC2)c(O)c1O	855917008	VAQFWZCWZRZHGH-LLVKDONJSA-N	279.336	1.545	10	20	CDCD	
Cc1ccc([C@@H](C)NCC(=O)N2CCN(C)CC2)c(O)c1	756492020	YTTZQGOAZDFPDQ-CYBMUJFWSA-N	291.395	1.125	10	20	CDCD	
COc1ccc(N2CC[C@H](NC(=O)[C@@H](C)C(=O)O)C2)cc1	851695602	GRIHRTIKJVFJCK-MNOVXSKESA-N	292.335	1.111	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)C(F)F	935947537	ZFOYHDYYLCHRFC-UHFFFAOYSA-N	250.241	1.759	10	20	CDCD	
CCc1cc(CNC(=O)NCc2cc(C)ccc2O)n[nH]1	858237310	IPDCRTNEOGIZIB-UHFFFAOYSA-N	288.351	1.986	10	20	CDCD	
CO[C@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)CCO1	866047914	LJWDDRVKZVVKLS-CQSZACIVSA-N	293.367	1.267	10	20	CDCD	
CCO[C@@H]1COCC[C@@H]1NCc1cc(OC)ccc1O	761223915	VCNKQELSMTUBLD-DZGCQCFKSA-N	281.352	1.684	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)CO[C@@H]2CCOC2)c1	1118886334	DHYCQILLCGHPAP-GFCCVEGCSA-N	265.309	1.122	10	20	CDCD	
COC(=O)c1occc1COC(=O)c1cccc(O)c1O	776278732	GBCOTTRGBLGZES-UHFFFAOYSA-N	292.243	1.834	10	20	CDCD	
COc1ccc(N(CC(=O)O)CC(=O)NCC(C)C)cc1	872887628	YHTQKXTUSMYQJO-UHFFFAOYSA-N	294.351	1.358	10	20	CDCD	
Cc1ccc(CN2CCC(N3CCNC3=O)CC2)c(O)c1	876514642	SCRINPJJAZUDRQ-UHFFFAOYSA-N	289.379	1.690	10	20	CDCD	
CCN(CCC(=O)NC)Cc1cc(OC)ccc1O	897709665	IVHCEPJSUPXFKB-UHFFFAOYSA-N	266.341	1.359	10	20	CDCD	
C[C@H]1CN(Cc2ccc(Br)cc2O)C[C@H]1O	897679401	KALAEJQTFKQTFK-QPUJVOFHSA-N	286.169	1.967	10	20	CDCD	
COc1cc(C)cc(CNCC[C@@H](O)C2CC2)c1O	898194592	KVRBVGRUKHWQQA-CYBMUJFWSA-N	265.353	1.960	10	20	CDCD	
Cc1cc(O)c(CN2C[C@H](O)C[C@]2(C)CO)cc1C	895327877	DZTUFHNHOVGCQR-UKRRQHHQSA-N	265.353	1.327	10	20	CDCD	
CN(C)c1ccc(CN2C[C@H](O)C[C@@]2(C)CO)cc1F	895331928	SFXVSDQDHRJMHX-DOMZBBRYSA-N	282.359	1.209	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)NOC/C=C\Cl	794291412	TZDKEEIUZRODNX-MOAQZJEESA-N	269.684	1.911	10	20	CDCD	
Cc1ccc(O)c([C@H](C)NCC(=O)NC(C)C)c1	36781649	LLUAXVMNISNGSU-NSHDSACASA-N	250.342	1.876	10	20	CDCD	
C[C@@H]1C[C@@H](NC(=O)Cc2ccc(N)cc2)CCN1C	132925212	NOTFZDOSTPXZEO-RISCZKNCSA-N	261.369	1.410	10	20	CDCD	
C[C@@H](C[C@@H]1COCCN1)NCc1ccc(N(C)C)cc1	133462591	CWVRVQKUUCOCOW-DZGCQCFKSA-N	277.412	1.609	10	20	CDCD	
Cc1nn(C)c(N(C)Cc2ccccc2O)c1[N+](=O)[O-]	89635468	CJCJRTHNNNJDSB-UHFFFAOYSA-N	276.296	1.979	10	20	CDCD	
CCN1CC[C@H](Sc2ncc(C(=O)OC)s2)C1=O	1333297660	FZWFAVCWQGBWGN-ZETCQYMHSA-N	286.378	1.643	10	20	CDCD	
COc1cccc(O)c1CN(CC(N)=O)CC(C)C	768532424	FOYCMLOXVPCSQR-UHFFFAOYSA-N	266.341	1.344	10	20	CDCD	
O=C(c1cc(O)cs1)N1CC[C@@](O)(C2CC2)C1	1331122935	GMKIBMSYWLRXGB-LBPRGKRZSA-N	253.323	1.441	10	20	CDCD	
C[C@H]1CN(c2nnc(-c3sccc3O)n2C)CCO1	1262854272	FVCGVQDUOJFYMA-QMMMGPOBSA-N	280.353	1.474	10	20	CDCD	
Cn1cncc1[C@@H]1C[C@H]1C(=O)NCc1ccc(N)cc1	1343472544	IVRZQEFETMDZQN-CHWSQXEVSA-N	270.336	1.422	10	20	CDCD	
CSC[C@H](C)NC(=O)NCc1ccc(N)cc1	1357166990	QXUAUOAUTUVRQN-VIFPVBQESA-N	253.371	1.820	10	20	CDCD	
CCCOc1ccc(CNC[C@H](OC)C(=O)O)cc1C	1353955569	SDCJMISOINVUHH-AWEZNQCLSA-N	281.352	1.973	10	20	CDCD	
CCCNCCN[C@H](C)c1cc(C(=O)O)ccc1O	1605333852	AEWKFLGBZDAGAO-SNVBAGLBSA-N	266.341	1.741	10	20	CDCD	
O=C(O)[C@@H](NCc1cc2c(cc1O)OCO2)C1CC1	1610720071	DCFOYIRTVCJPSI-LBPRGKRZSA-N	265.265	1.074	10	20	CDCD	
CCNC1(CNC(=O)c2ccc(N=NC(N)=O)cc2)CC1	1754535686	NNNIBKRPTLJDCI-UHFFFAOYSA-N	289.339	1.721	10	20	CDCD	
CCN(CCC(=O)O)C(=O)/C=C/c1ccc(O)c(O)c1	1596305554	FYFCSYGRQYMSCT-GQCTYLIASA-N	279.292	1.434	10	20	CDCD	
Cc1ccc([C@H](C)NCCN2CCCC2=O)c(O)c1	405407000	UQVDZMHLAGHDCY-LBPRGKRZSA-N	262.353	1.974	10	20	CDCD	
Oc1cccc(Cl)c1CN1CC[C@@H](N2CCNCC2)C1	312315701	AXXFINGJVOKTCM-GFCCVEGCSA-N	295.814	1.525	10	20	CDCD	
Nc1ccc(NC(=O)[C@@H]2CCCN2C(=O)C2CC2)cc1	701032992	APZZMOKCARULPC-ZDUSSCGKSA-N	273.336	1.608	10	20	CDCD	
CS(=O)(=O)CCCCNCc1cc(F)cc(F)c1O	708501106	AYXCOTRTMCJEIB-UHFFFAOYSA-N	293.335	1.585	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@@H]2CC[C@H]1N2	1121848499	JXGPSPURYLJSGD-YNEHKIRRSA-N	260.337	1.491	10	20	CDCD	
OCCO[C@H]1CCCN(Cc2ccccc2O)C1	179573211	RAUSKJOTQFJKNG-ZDUSSCGKSA-N	251.326	1.366	10	20	CDCD	
COc1ccc(N(C)CCCN2C(=O)CNC2=O)cc1F	121792370	JIQSSXJTGYAOJR-UHFFFAOYSA-N	295.314	1.212	10	20	CDCD	
C[C@H](N[C@H]1CCc2ncnn2C1)c1ccc(F)c(F)c1O	187776910	ROQQTUYGAALLRK-IUCAKERBSA-N	294.305	1.928	10	20	CDCD	
NC(=O)C[C@H]1CCCN(Cc2cc(F)ccc2O)C1	180227491	LIFHYZRUKWZYNF-SNVBAGLBSA-N	266.316	1.619	10	20	CDCD	
C[C@]1(O)CCCN(C(=O)c2cccc(O)c2O)C1	126567270	VRQSAOPCIVMABZ-ZDUSSCGKSA-N	251.282	1.085	10	20	CDCD	
CCCCN1CC(=O)N[C@@H]1c1cccc(OC)c1O	77475186	DDGPLILDODXGDO-AWEZNQCLSA-N	264.325	1.631	10	20	CDCD	
CC(C)N1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1	180635887	LUQKBIZMDFLUDH-GQCTYLIASA-N	290.363	1.664	10	20	CDCD	
CC(C)(C)[C@@H](CO)NC(=O)/C=C/c1ccc(O)c(O)c1	192890628	OEOLDZQHFXEWTB-VUDGCMKMSA-N	279.336	1.634	10	20	CDCD	
NC(=O)NC(=O)OCCCSc1nccs1	265003300	MTXOPLPZSAAWCN-UHFFFAOYSA-N	261.328	1.430	10	20	CDCD	
C[C@H](NC[C@@]1(O)CCO[C@H]1C)c1cc([N+](=O)[O-])ccc1O	278662677	FMYFATXIMGGTFS-BHDSKKPTSA-N	296.323	1.491	10	20	CDCD	
O=C(O)c1cc(NS(=O)(=O)CCC2CC2)ccc1O	271248602	HAGZDIHDKKMOCU-UHFFFAOYSA-N	285.321	1.632	10	20	CDCD	
COC[C@@H](O)CN[C@@H](C)c1cc2c(cc1O)CCCC2	273366867	BRVJGBOZMIMSSV-FZMZJTMJSA-N	279.380	1.929	10	20	CDCD	
Cc1nnc([C@H](C)NC(=O)c2ccc(C)c(O)c2O)[nH]1	286229889	CNVAKTANPAEGCJ-ZETCQYMHSA-N	276.296	1.324	10	20	CDCD	
C[C@@H](O)CNc1cc(NCc2ccccc2O)ncn1	298245093	MHVRTECQJZHELA-SNVBAGLBSA-N	274.324	1.587	10	20	CDCD	
CCN(CC)c1ccc(CN2CC(=O)N[C@@H](C)C2)cc1	295054889	PUZUUZCZTZAMQL-ZDUSSCGKSA-N	275.396	1.853	10	20	CDCD	
Cc1cccc(CNCc2nc(C3CC3)n[nH]2)c1O	294800858	MXUOLOGKCBIXLB-UHFFFAOYSA-N	258.325	1.986	10	20	CDCD	
CN(C)c1ccc(CN[C@H](C2CC2)[C@H]2CNCCO2)cc1	817896935	ZMWBXGMGTLYLOY-IAGOWNOFSA-N	289.423	1.609	10	20	CDCD	
C[C@@H](NC(=O)CCC(N)=O)c1ccc(N(C)C)cc1	907493774	SDXWPYABSAQECW-SNVBAGLBSA-N	263.341	1.195	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)/C=C1\SCC(=O)N1C	820880206	YIDGHIXDGGTWDU-AUWJEWJLSA-N	292.360	1.397	10	20	CDCD	
Cn1cnc(/C=C/C(=O)N2CCNCc3ccccc32)c1	911761249	NCGMHAVHWJKYPF-VOTSOKGWSA-N	282.347	1.570	10	20	CDCD	
CCC[C@H](O)[C@H](CO)NCc1c(O)cccc1Cl	842224280	BRXZQLNCDVTQRK-AAEUAGOBSA-N	273.760	1.657	10	20	CDCD	
C[C@@H](NC(=O)NCCN)c1ccc(N(C)C)cc1	841883017	QSLVVHJAIJUCTF-SNVBAGLBSA-N	250.346	1.072	10	20	CDCD	
CC(C)(CN)NC(=O)NCc1ccc(N2CC=CC2)cc1	841832732	RNLDTDQXRVPZGU-UHFFFAOYSA-N	288.395	1.599	10	20	CDCD	
CCN1CCC[C@H]1CNC(=S)NCc1ccccc1O	748156472	GBXIGLBISVTBSZ-ZDUSSCGKSA-N	293.436	1.841	10	20	CDCD	
COc1ccc(CNC(=O)Cc2cnccc2C)c(O)c1	846950255	LUBINYGLRYKOFP-UHFFFAOYSA-N	286.331	1.963	10	20	CDCD	
COCC[C@](C)(O)CN[C@H](C)c1cccc(OC)c1O	846147391	UOKIVUFOFSAXAO-ABAIWWIYSA-N	283.368	1.839	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1CCN(C[C@H](C)O)CC1	840913869	KFPWBJRPYBFDJU-HNNXBMFYSA-N	291.439	1.559	10	20	CDCD	
COC(=O)[C@@H](NC(=O)c1cc(O)cs1)C(C)(C)C	740167355	GCFFGLVQYAXMRC-SECBINFHSA-N	271.338	1.771	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H](C)CC(N)=O	745827122	DEOIWRDBDJDDAM-NSHDSACASA-N	292.383	1.124	10	20	CDCD	
C[C@H](N)CNC(=O)NCc1ccc(N2CCCC2)cc1	841709443	GKJYPWIAHMNPJC-LBPRGKRZSA-N	276.384	1.433	10	20	CDCD	
CCOc1cccc(CNC[C@@H](C)C(=O)O)c1O	848637917	NESHETCVYAQUDL-SECBINFHSA-N	253.298	1.601	10	20	CDCD	
CN(C)c1ccc(CN(CC[N+](=O)[O-])C2CC2)cc1	929293958	ALAQJBCSOBQTLZ-UHFFFAOYSA-N	263.341	1.994	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)CCc2nc[nH]n2)c1	755787629	WCPJQFWKGYDVKI-SECBINFHSA-N	290.323	1.329	10	20	CDCD	
CN(C)c1ccc(CN2CCc3cnc(N)nc3C2)cc1	857924168	SGLPFDBECIICDV-UHFFFAOYSA-N	283.379	1.683	10	20	CDCD	
COC(=O)/C=C(/C)CN(C)c1ccc2c(c1)OCO2	930093023	HRNLLLYBRFZAQP-POHAHGRESA-N	263.293	1.971	10	20	CDCD	
CC(=O)C(=O)CSc1ncc2c(n1)CC(C)(C)CC2=O	865370219	BKPVXWDJUVITFX-UHFFFAOYSA-N	292.360	1.882	10	20	CDCD	
COc1cccc(O)c1CN1CCC[C@@H](CCC(N)=O)C1	769187827	AMBFUPOAINIOSZ-LBPRGKRZSA-N	292.379	1.878	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@]2(F)CCOC2)cc1	1117525549	JXHJEDHLEBXJTF-AWEZNQCLSA-N	266.316	1.497	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2CCn1ccccc1=O	774752166	OBWCPOVKPVDCMP-UHFFFAOYSA-N	299.374	1.813	10	20	CDCD	
CCCOc1ccc(CNC(CO)CO)cc1C	873062758	ZHLQWAHLFPNZEM-UHFFFAOYSA-N	253.342	1.227	10	20	CDCD	
C[C@@H](NC(=O)c1cnn[nH]1)c1ccc(N(C)C)cc1	773022705	WGHTZGUQLNKQQH-SECBINFHSA-N	259.313	1.362	10	20	CDCD	
CCOc1ccc(CN2CCSC[C@H]2CO)c(O)c1	877780115	KPFWARLFHCMPFI-GFCCVEGCSA-N	283.393	1.701	10	20	CDCD	
Cc1cccc(O)c1CN(CCN(C)C)CCN(C)C	877526972	WYJCGXGQRCVJPO-UHFFFAOYSA-N	279.428	1.626	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@H](C)C[C@H](C)O)c1O	775055076	PMNTXJKIEVSFPH-BDAKNGLRSA-N	284.312	1.558	10	20	CDCD	
CC[C@@]1(O)CCN(Cc2cc3c(cc2O)OCO3)C1	779217730	AEVMRTRCWOEAPR-CQSZACIVSA-N	265.309	1.468	10	20	CDCD	
CN(C)CCCN(C)C(=O)NCc1ccc(N)cc1	1120591597	CGJUFLBLGIBOJX-UHFFFAOYSA-N	264.373	1.362	10	20	CDCD	
C[C@H](NC[C@@H](CO)[C@H]1CCOC1)c1c(O)cccc1F	886605619	VIDICAFNYIGVOX-SRVKXCTJSA-N	283.343	1.827	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)CCC(C)(C)O	787424999	LHGGYSIWLYNGGM-UHFFFAOYSA-N	251.326	1.902	10	20	CDCD	
O=C(N[C@H]1CC[C@@H](CO)CC1)c1c(F)ccc(O)c1O	789994636	AOQMDSYDPHRYTP-DTORHVGOSA-N	283.299	1.518	10	20	CDCD	
CCN1C[C@H](CNCc2cc(C)cc(OC)c2O)CC1=O	895148386	GSJZWDIKMZKEKA-LBPRGKRZSA-N	292.379	1.667	10	20	CDCD	
O=[N+]([O-])CCN(Cc1ccccc1O)C[C@@H]1CCCO1	791055459	UMAWIMKFSQGTCL-ZDUSSCGKSA-N	280.324	1.650	10	20	CDCD	
CC[C@@H](N[C@H](C)C(=O)N(C)C)c1ccccc1O	36794094	MDGRUVQHHVTTLA-ZYHUDNBSSA-N	250.342	1.910	10	20	CDCD	
COc1ccc(CNC(=O)CC[C@@H]2CCOC2)c(O)c1	794387185	GMDWYRLWUJPXNF-LLVKDONJSA-N	279.336	1.834	10	20	CDCD	
CC(=O)N1CCC[C@@H](CNC(=O)c2cc(O)cs2)C1	795571290	YQBDNZIFBGCIIR-JTQLQIEISA-N	282.365	1.442	10	20	CDCD	
Nc1ccc(CN2CC[C@H](CN3CCOCC3)C2)cc1	1345159468	HCYDDZQGEHEAJY-OAHLLOKOSA-N	275.396	1.423	10	20	CDCD	
Cc1nnc(CN(C)C(=O)c2cccc(O)c2O)o1	1347842886	RHSORAQWXOSYFS-UHFFFAOYSA-N	263.253	1.061	10	20	CDCD	
CCc1cc(C(=O)N(C)Cc2ccccc2O)nn1C	1319988788	NJNYHVAGULDERP-UHFFFAOYSA-N	273.336	1.960	10	20	CDCD	
O=C(NCc1ccccc1O)c1c[nH]nc1C1CC1	276427028	HCGVHEHNBSCRFO-UHFFFAOYSA-N	257.293	1.923	10	20	CDCD	
CCOc1cccc(CN(CC)[C@@H]2CCNC2=O)c1O	281895806	YQFWKAXMDAXICL-GFCCVEGCSA-N	278.352	1.501	10	20	CDCD	
CN(C)c1ccc(CN(C)C(=O)[C@H]2C[C@@H](N)C2)cc1	693621444	SNHGLLWRZITNEW-BETUJISGSA-N	261.369	1.448	10	20	CDCD	
C[C@@H]1C[C@@H](NC(=O)NCc2ccc(N)cc2)CN1C1CC1	1336844388	GMMVKARBXUKRGN-BXUZGUMPSA-N	288.395	1.693	10	20	CDCD	
Oc1cc2c(cc1CN1C[C@H]3C=C[C@H]1C3)[C@@H](O)CO2	1337187147	DIHRHKJXXQQPFB-CHIMOYNISA-N	259.305	1.578	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@]1(C(=O)O)C[C@H]1C	1603200240	YPZZHPJRJQRBAL-XWRVAKJBSA-N	293.319	1.256	10	20	CDCD	
O=C(O)[C@]1(F)CCN(Cc2ccc(F)c(F)c2O)C1	1601717026	MROAGHSVUGUUTR-LBPRGKRZSA-N	275.226	1.669	10	20	CDCD	
O=C(O)c1cccc(C(=O)NCc2cccc(O)c2O)n1	1602433243	RYNCRMVDWKFSNT-UHFFFAOYSA-N	288.259	1.121	10	20	CDCD	
O=C(O)C[C@H]1COCCN1Cc1cccc(Cl)c1O	1610764861	MJTZUSQDUWPEOO-JTQLQIEISA-N	285.727	1.721	10	20	CDCD	
COC(=O)CN(CC(=O)O)Cc1cc(C)cc(C)c1O	1610185240	TURAGPGJJUFBON-UHFFFAOYSA-N	281.308	1.069	10	20	CDCD	
CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@H]1CCCN1	1573876477	HJAXLKBWLCLMNV-MRXNPFEDSA-N	287.407	1.997	10	20	CDCD	
CCCC[C@H](N)C(=O)NCc1c(O)cccc1F	1577410352	AOGCWQUGBMPVBH-NSHDSACASA-N	254.305	1.665	10	20	CDCD	
C[C@H](NC(=O)NCC1(C(=O)O)CC1)c1ccccc1O	1599894292	PCZOTGSFZMRDLZ-VIFPVBQESA-N	278.308	1.617	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NS(=O)(=O)CCCF)c1	161158682	YKKLDHLDEFQXBQ-SECBINFHSA-N	291.344	1.741	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)NCCCCC(=O)O	820607490	HLHPDFGQOSUCQN-UHFFFAOYSA-N	280.324	1.789	10	20	CDCD	
C[C@H](O)C[C@H](C)NCc1ccc(N2CCOCC2)cc1	228067986	PDOQTSNHYNCBNU-KBPBESRZSA-N	278.396	1.772	10	20	CDCD	
CCOc1cccc(CNCCc2ccnn2C)c1O	231032702	ZBTJOZKQUINXOJ-UHFFFAOYSA-N	275.352	1.857	10	20	CDCD	
C[C@@H](CNCc1ccc(N2CCOCC2)cc1)N(C)C	38088107	NLPBNADXGPJAED-AWEZNQCLSA-N	277.412	1.563	10	20	CDCD	
C[C@H](C[S@@](C)=O)NCc1ccc(N2CCOCC2)cc1	168191086	QUIQUUHYYHMTPB-XCLFUZPHSA-N	296.436	1.380	10	20	CDCD	
COCC[C@H](CO)NCc1cc(Cl)cc(OC)c1O	281195087	ISFNXYUNTPIMCT-LLVKDONJSA-N	289.759	1.541	10	20	CDCD	
CS(=O)(=O)C[C@@H]1CCCN(Cc2ccccc2O)C1	293948660	OWASRELPVWNVJF-GFCCVEGCSA-N	283.393	1.649	10	20	CDCD	
CC(C)C(=O)NCCN[C@@H](C)c1ccc(F)cc1O	62745020	HIGVWWYQGKEYOG-JTQLQIEISA-N	268.332	1.954	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CCCN2C)c1	104901007	RYONOWQHLZZYIR-GXFFZTMASA-N	278.352	1.672	10	20	CDCD	
C[C@@H]1COCCN1C(=O)NCc1ccc(N(C)C)c(F)c1	57647191	WVKQSCKZCMBUDW-LLVKDONJSA-N	295.358	1.822	10	20	CDCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)NCC(N)=O)c1	103943764	HSIDHBVVLLAITN-UHFFFAOYSA-N	285.347	1.618	10	20	CDCD	
Cc1ccc(C(=O)NCCCN(C)C)c(O)c1O	179383745	GOWLVGDWUQWFBY-UHFFFAOYSA-N	252.314	1.088	10	20	CDCD	
O=C1CN(Cc2ccccc2O)[C@H]2CCCC[C@@H]2N1	179565376	YWEYGBVSNFBVEF-STQMWFEESA-N	260.337	1.635	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)c1c[nH]nc1C1CC1	187382098	QWXWHXLHHAKJCG-UHFFFAOYSA-N	287.319	1.671	10	20	CDCD	
CCN(C)C(=O)CN[C@H](C)c1ccc(F)c(F)c1O	187925346	BLWZNPSKFVBHLQ-MRVPVSSYSA-N	272.295	1.799	10	20	CDCD	
Cc1n[nH]c2ncc(NC(=O)c3cccc(O)c3O)cc12	188285432	ZASXZGADVZKKDZ-UHFFFAOYSA-N	284.275	1.930	10	20	CDCD	
Oc1ccc(F)cc1CN1CCC2(C1)OCCO2	180064280	DYJMWGYBKQWZCJ-UHFFFAOYSA-N	253.273	1.480	10	20	CDCD	
COCc1nc(CN[C@@H](C)c2cc(OC)ccc2O)no1	182802873	HYRJRESFBLRXQQ-VIFPVBQESA-N	293.323	1.781	10	20	CDCD	
COc1ccc(N2CCN(C(=O)[C@@H](C)OC)CC2)cc1F	84814378	DRDGXWSIVYZFPT-LLVKDONJSA-N	296.342	1.518	10	20	CDCD	
COc1ccc(O)c(CN2CC[C@H]3CC[C@@H](C2)N3)c1	132235493	MPIUTXIZKYEHGG-OLZOCXBDSA-N	262.353	1.727	10	20	CDCD	
CCOC[C@H](O)CN(C)c1ccc(OC)cc1OC	269845090	WJCAWRDMINPURR-LLVKDONJSA-N	269.341	1.537	10	20	CDCD	
CCCCN(CCO)Cc1ccc([N+](=O)[O-])c(OC)c1O	278242866	OFMKJNPDGRRRQV-UHFFFAOYSA-N	298.339	1.903	10	20	CDCD	
CN1CCCc2cc(CNC(=O)c3ccncn3)ccc21	274980198	GAVJNIUUBUSNMV-UHFFFAOYSA-N	282.347	1.789	10	20	CDCD	
CCCCN1CC(=O)N[C@@H]1c1cccc(F)c1O	272193396	KUPDAXVDHICJEB-ZDUSSCGKSA-N	252.289	1.762	10	20	CDCD	
COC[C@H](CCO)N[C@H](C)c1cc([N+](=O)[O-])ccc1O	273592739	POYMDMUGFAZPOA-ZJUUUORDSA-N	284.312	1.348	10	20	CDCD	
COc1cccc(CN2CC[C@@H](C)[S@@](=O)CC2)c1O	277289649	AEDLXYYZYZROQR-WYRIXSBYSA-N	283.393	1.744	10	20	CDCD	
O=C(NC1CC1)N[C@@H]1CCN(Cc2cc(F)ccc2O)C1	273718694	HSCXLFQZHFXASA-CYBMUJFWSA-N	293.342	1.567	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)NCCCNC(C)=O)c1	273430255	VJDCPTRCASZMCL-JTQLQIEISA-N	294.351	1.356	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN(C)Cc2nnc[nH]2)c1O	278142097	BDXMGLGQSFGJHZ-UHFFFAOYSA-N	293.283	1.059	10	20	CDCD	
Cc1ncc(/C=C/C(=O)N(C)c2ccn(C)n2)s1	274851836	YMCVTZYFVWTEDY-SNAWJCMRSA-N	262.338	1.861	10	20	CDCD	
C[C@@H](O)CN1CCN(Cc2ccccc2O)[C@H](C)C1	284332123	KUHHIEJUGIUWPL-CHWSQXEVSA-N	264.369	1.279	10	20	CDCD	
Nc1ccc(CN2CCC[C@@H](C3OCCO3)C2)cc1	1337834871	YECZBICFFVMOLE-CYBMUJFWSA-N	262.353	1.854	10	20	CDCD	
Oc1cc2c(cc1CN1CC(O)(c3ccccc3)C1)OCO2	291532712	KMCDRZDOAPMUSM-UHFFFAOYSA-N	299.326	1.824	10	20	CDCD	
CN1CCC[C@H](NCc2cc(Cl)c(F)cc2O)C1=O	816555688	NFBIQLFUCSVAJV-NSHDSACASA-N	286.734	1.895	10	20	CDCD	
CCCN1C[C@@H](CNCc2cccc(OC)c2O)CC1=O	817411032	LLAYRPDVRXBJAS-GFCCVEGCSA-N	292.379	1.749	10	20	CDCD	
CCN1C[C@H](NCc2cc([N+](=O)[O-])ccc2O)CC1=O	824887019	ONWDQUHAXBOVOO-SNVBAGLBSA-N	279.296	1.011	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)c2cccc[n+]2[O-])c1	728977599	AXBHXPMKZBBFLR-JTQLQIEISA-N	288.303	1.525	10	20	CDCD	
CN1C[C@@H]2CCCN(C(=O)c3cc(O)cs3)[C@@H]2C1	822438831	WGTCACWDJFBPHD-GXSJLCMTSA-N	266.366	1.620	10	20	CDCD	
O=C(N[C@H]1CCN2CCCC[C@H]12)c1cc(O)cs1	822156405	QIZLPUUDGSRJSN-WDEREUQCSA-N	266.366	1.810	10	20	CDCD	
CC(=O)NCCCNCc1cc(Cl)c(C)cc1O	825084778	QRLJVHSAFJXFRX-UHFFFAOYSA-N	270.760	1.970	10	20	CDCD	
CCc1noc(C(=O)NCc2cc(OC)ccc2O)n1	902635909	OSCOGIOURBKPFZ-UHFFFAOYSA-N	277.280	1.276	10	20	CDCD	
CCO[C@@H]1CCCN(C(=O)c2c(F)ccc(O)c2O)C1	825542779	ZRYKHBVWOZFKTF-SECBINFHSA-N	283.299	1.878	10	20	CDCD	
CCOC(=O)N[C@H]1CCCN(C(=O)c2cc(O)cs2)C1	731871743	LWNLNKLJWACRFO-VIFPVBQESA-N	298.364	1.804	10	20	CDCD	
CC(C)(C)C[C@@H](O)CNC(=O)c1cc(O)cs1	735329990	FHXNELVWOAXUSL-SECBINFHSA-N	257.355	1.981	10	20	CDCD	
C[C@H](N)C[C@@H](C)NC(=O)NCc1ccc(N(C)C)c(F)c1	831117411	VXRQKRQREJXROY-WDEREUQCSA-N	296.390	1.817	10	20	CDCD	
O=C(NC1CCN(C(=O)C2CC2)CC1)c1cc(O)cs1	731867010	AEGIDNDUYCEVPG-UHFFFAOYSA-N	294.376	1.585	10	20	CDCD	
Cc1n[nH]c(C)c1/C=C1/SC(N2CCOCC2)=NC1=O	915988120	QVDFMYVASXDMFB-YRNVUSSQSA-N	292.364	1.329	10	20	CDCD	
O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H]1CCNC1	841709411	FNHJNHIVORKPDP-CQSZACIVSA-N	288.395	1.448	10	20	CDCD	
COc1ccc(N(C)CCN(C)C(=O)C2=COCC2)cc1	846445689	DWORBUGFQSVQFI-UHFFFAOYSA-N	290.363	1.894	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNCC1(C)OCCO1	840937499	VGEHAEJXJQSODI-UHFFFAOYSA-N	264.369	1.914	10	20	CDCD	
CCN1C(=O)C(C)(C)N[C@@H]1c1cc(OC)c(OC)cc1O	840837165	GOQVFVRKCXDDQZ-ZDUSSCGKSA-N	294.351	1.638	10	20	CDCD	
COC(=O)C(C)(C)N(C)C(=O)c1cccc(O)c1O	841454705	PMAKORJLWLINGS-UHFFFAOYSA-N	267.281	1.121	10	20	CDCD	
NCCCNCc1ccc(N2CCOCC2)c(F)c1	841095808	NPJTZDJAZVDTHY-UHFFFAOYSA-N	267.348	1.101	10	20	CDCD	
CCOC(=O)N[C@H](C(=O)NCc1ccccc1O)C(C)C	748346652	RBWOCDOOXSCCHV-ZDUSSCGKSA-N	294.351	1.779	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NC[C@H]2CCCN2)cc1F	841762054	USBNRVPOERDYTH-GFCCVEGCSA-N	294.374	1.443	10	20	CDCD	
CCNC(=O)[C@@H](C)N[C@H](C)c1cccc(OC)c1O	846137839	RJMDTIVJGKJNSU-NXEZZACHSA-N	266.341	1.576	10	20	CDCD	
CC(=O)N(C)CC(=O)N[C@H](C)c1ccccc1O	827923679	XLMSRCPKBJCWMO-SECBINFHSA-N	250.298	1.048	10	20	CDCD	
Cc1noc([C@H](C)N(C)C(=O)c2cccc(O)c2O)n1	848323080	BPPGZMXDRKAXFH-ZETCQYMHSA-N	277.280	1.622	10	20	CDCD	
CCOc1ccc(CN(C)CCNC(=O)N(C)C)c(O)c1	757864464	HFCPKICIJTYOGZ-UHFFFAOYSA-N	295.383	1.494	10	20	CDCD	
COC[C@@](C)(CC(=O)OC)NCc1ccccc1O	757926023	JEQGFEZCYSKGFT-CQSZACIVSA-N	267.325	1.450	10	20	CDCD	
CN(c1ccc(N)cc1)[C@@H]1CCN(CC(F)(F)F)C1=O	863557118	JATRFQFQFLGZIQ-LLVKDONJSA-N	287.285	1.868	10	20	CDCD	
Cc1cc(Cl)cc([C@H](C)N[C@@H]2COC[C@@H]2O)c1O	866421215	XQWMCYULRDQGQX-AXTRIDKLSA-N	271.744	1.764	10	20	CDCD	
CCOC[C@H]1CN(Cc2ccc(C)cc2O)CCO1	877655973	RIPHWPMGHPYYRZ-CQSZACIVSA-N	265.353	1.938	10	20	CDCD	
C[C@@H](NC(=O)c1cc(O)ncn1)c1ccc(N(C)C)cc1	860950293	LCICLSLYKUYJLM-SNVBAGLBSA-N	286.335	1.739	10	20	CDCD	
CN(C)c1ccc(CN2CCSC[C@H]2CO)cc1F	877779902	HWVQKTAAXXKIKC-GFCCVEGCSA-N	284.400	1.801	10	20	CDCD	
Cc1ccc(CNC[C@@H](C)S(C)(=O)=O)c(O)c1	877121208	QGEICPCFZWJSIX-SNVBAGLBSA-N	257.355	1.223	10	20	CDCD	
C[C@@H]1C[C@H](NC(=O)/C=C\c2ccc(O)c(O)c2)CCN1C	779526100	VJNJURWILGXEGA-DMBZQDCGSA-N	290.363	1.710	10	20	CDCD	
C[C@@]1(CO)CCCN(C(=O)NCc2ccc(N)cc2)C1	1120592366	WCUFVLZBIDOTLR-OAHLLOKOSA-N	277.368	1.573	10	20	CDCD	
CCN(C)c1ccc(CN2CCS(=O)(=O)C[C@H]2C)cc1	773750718	FAPYZTSLESSXRH-CYBMUJFWSA-N	296.436	1.762	10	20	CDCD	
CCN(CC)c1ccc(CN[C@@H](COC)C(=O)OC)cc1	789574212	BZWHULKFJTXVOM-HNNXBMFYSA-N	294.395	1.810	10	20	CDCD	
CC[C@H](CN1CCOCC1)NCc1cc(F)ccc1O	896621481	PXRIYVBDKVUIKO-CQSZACIVSA-N	282.359	1.732	10	20	CDCD	
COc1ccc(CNC[C@@H](O)C2CC2)c(O)c1OC	894458467	SAOFBSHETWNSAQ-LLVKDONJSA-N	267.325	1.270	10	20	CDCD	
CCOCCO[C@H](C)C(=O)Nc1ccc(N)cc1	19268988	RELRYZDGGGRFRC-SNVBAGLBSA-N	252.314	1.649	10	20	CDCD	
COC(=O)CCN[C@@H](C)c1ccc(N(C)C)cc1	37252086	GJGDCICTKHUOGE-NSHDSACASA-N	250.342	1.966	10	20	CDCD	
CC[C@H](C(=O)N[C@@H](C)c1cc(OC)ccc1O)C(=O)OC	790788403	WCAHPTPZCWTAFA-GXSJLCMTSA-N	295.335	1.777	10	20	CDCD	
CCOC(=O)[C@@H](NCc1cc(F)ccc1O)C1CC1	1326218808	IVNFLQUJJWTHNF-ZDUSSCGKSA-N	267.300	1.963	10	20	CDCD	
COc1ccc(N(C)C[C@@H]2CN(C)C(=O)O2)cc1F	1261237078	GORMBDMITRKEJM-SNVBAGLBSA-N	268.288	1.721	10	20	CDCD	
Nc1ccc(CNC(=O)CCOC2CCOCC2)cc1	1346210588	WKMJLVFATVBKHH-UHFFFAOYSA-N	278.352	1.471	10	20	CDCD	
Cc1cc(O)c(CN2CCC[C@H](O)[C@H]2C(=O)O)cc1C	1607700315	VPSLZVJRULIJHL-JSGCOSHPSA-N	279.336	1.419	10	20	CDCD	
O=C(Cc1ccc(O)c(O)c1)NC1(C(=O)O)CCCC1	1605709591	PMGVBNGTUAETAN-UHFFFAOYSA-N	279.292	1.154	10	20	CDCD	
O=C(O)CCC(=O)NCc1cc(Cl)ccc1O	11803629	WSRVWAXSLHLYGW-UHFFFAOYSA-N	257.673	1.527	10	20	CDCD	
CC(C)CNCC(=O)NCc1ccc2cccnc2c1O	1575606240	OCYFGUQDXJJJNW-UHFFFAOYSA-N	287.363	1.802	10	20	CDCD	
C[C@@H]1CCN2[C@H](C1)C(=O)N[C@H]2c1cc(C(=O)O)ccc1O	1594439949	YXWJQOMHTWPZTR-XTWCZFFVSA-N	290.319	1.319	10	20	CDCD	
Oc1cccc(F)c1CNc1nccnc1-c1nn[nH]n1	1593539786	GUZNMBSLSYXHHC-UHFFFAOYSA-N	287.258	1.114	10	20	CDCD	
CCC[C@@](C)(NC(=O)c1ccc(C)c(O)c1O)C(=O)O	1595552894	AYBYXVYVWLXDJJ-CQSZACIVSA-N	281.308	1.779	10	20	CDCD	
Cc1ccc(O)c(CN=c2cc[nH]c(-c3nn[nH]n3)c2)c1	1592186343	OZRHDPUBRIORQV-UHFFFAOYSA-N	282.307	1.310	10	20	CDCD	
C[C@@H](CNCc1ccc(N(C)C)cc1)[C@H](F)C(=O)O	1776425462	WWGLFDSCTZQTKA-GWCFXTLKSA-N	268.332	1.901	10	20	CDCD	
CCN(C)c1ccc(CN2CCC[C@@](O)(C(=O)O)C2)cc1	1776855916	MCKARGWNJFTUBR-INIZCTEOSA-N	292.379	1.554	10	20	CDCD	
CC(C)[C@@H]1CN(C)CCN1Cc1cc2c(cc1O)OCO2	153660634	GMSUXYSXJZXTDO-ZDUSSCGKSA-N	292.379	1.893	10	20	CDCD	
Cc1cc(NS(=O)(=O)c2cn(C)c(C)n2)ccc1O	148634242	PYQBLMFEWSFSIY-UHFFFAOYSA-N	281.337	1.543	10	20	CDCD	
Cc1noc(C)c1C(=O)NCCc1ccc(N)cc1	63129726	MSCRNCGVTDGWKI-UHFFFAOYSA-N	259.309	1.846	10	20	CDCD	
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2N[C@@H]1COC[C@H]1O	323161641	JENYJBAVVXDNEL-LSCVPOLPSA-N	263.337	1.598	10	20	CDCD	
C[C@@H]1CCCN(C(=O)CN(C)c2ccc(N)cc2)C1	702092662	KXLVDRJYMUSLOE-GFCCVEGCSA-N	261.369	1.964	10	20	CDCD	
COc1cc(CNC(=O)c2ccc(C)c(O)c2O)ccn1	177667327	VAGQJAMMDSFHOB-UHFFFAOYSA-N	288.303	1.740	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1cc[n+]([O-])cc1	69772196	FXKLIMBJXGYZCW-UHFFFAOYSA-N	285.347	1.658	10	20	CDCD	
C[C@H](CCO)NCc1ccc(N2CCOCC2)c(F)c1	304283901	KYVAEHVOQUTOKP-GFCCVEGCSA-N	282.359	1.523	10	20	CDCD	
COc1cccc(CNC(=O)CC[C@H]2CCOC2)c1O	176130789	KJRKATXZIANINT-NSHDSACASA-N	279.336	1.834	10	20	CDCD	
O=C(NC[C@@H](O)c1ccc(F)cc1)c1cccc(O)c1O	186915267	ZXFFGWCHQOKDLC-CYBMUJFWSA-N	291.278	1.700	10	20	CDCD	
COc1cccc(CNCc2ccc(C(N)=O)cc2)c1O	237218846	XHIBCXMTBDCDQR-UHFFFAOYSA-N	286.331	1.790	10	20	CDCD	
COCCOCC(=O)N(C)Cc1ccccc1O	230210886	OYUQBPGMFOTKJG-UHFFFAOYSA-N	253.298	1.014	10	20	CDCD	
COCCn1cc(CNCc2cc(OC)ccc2O)cn1	266182523	GLPMHGZHPCIONJ-UHFFFAOYSA-N	291.351	1.534	10	20	CDCD	
Cc1cc(CC(=O)NCCc2ccc(O)c(O)c2)n[nH]1	270562687	UYXZBYWRPBWCSE-UHFFFAOYSA-N	275.308	1.031	10	20	CDCD	
C[C@@H](NC[C@H](O)CN1CCCC1)c1cc(F)ccc1O	273405889	OJWPFFJYTBWPHU-YPMHNXCESA-N	282.359	1.639	10	20	CDCD	
COc1ccc(O)c(CN(CCO)C2CCOCC2)c1	275687602	AMFQJTAYTUQDHP-UHFFFAOYSA-N	281.352	1.374	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCOC[C@@H]1c1ccco1	376555641	IUYVJMKJKOMTAL-LLVKDONJSA-N	289.287	1.905	10	20	CDCD	
CCc1cc(O)ccc1NS(=O)(=O)c1cn(C)nc1C	288237032	NWRMENBJXXBNTO-UHFFFAOYSA-N	295.364	1.797	10	20	CDCD	
CC(C)(CCC(=O)NCc1ccc(O)c(O)c1)[N+](=O)[O-]	296630760	VRASGABUZDRBPN-UHFFFAOYSA-N	282.296	1.550	10	20	CDCD	
COC(=O)[C@@H]1CN(C(=O)c2c(F)ccc(O)c2O)C[C@H]1C	295158480	MVUILUNMPMTBCM-HTQZYQBOSA-N	297.282	1.118	10	20	CDCD	
Cc1cc(CN(C[C@@H](C)O)[C@H](C)CO)ccc1N(C)C	294417018	DGJQNRKAFOSQGF-ZIAGYGMSSA-N	280.412	1.625	10	20	CDCD	
CCC[C@@H](OC(=O)c1cccc(O)c1O)C(=O)OCC	801859241	ZCTCZQZREIZJQC-LLVKDONJSA-N	282.292	1.986	10	20	CDCD	
O[C@@H]1CCCN(Cc2ccc(N3CCOCC3)cc2)CC1	816667957	AOBIICZZWJQNEU-QGZVFWFLSA-N	290.407	1.870	10	20	CDCD	
O=C1CN(Cc2ccccc2O)C(=O)N1CCn1cccc1	819168161	MCTGZQXATGMICJ-UHFFFAOYSA-N	299.330	1.658	10	20	CDCD	
COc1cccc(CN2CC[C@H]3NC(=O)CC[C@H]3C2)c1O	827141579	UVTMFRYBEVQSLH-WCQYABFASA-N	290.363	1.501	10	20	CDCD	
C[C@H](N)CC(=O)NCCCSc1nccs1	829527824	GTLMUGSGLKTUSK-QMMMGPOBSA-N	259.400	1.479	10	20	CDCD	
Cc1cc(O)c(CN2CCC(O)(CO)CC2)cc1Cl	827141973	ZYFSLLYBVHHRCD-UHFFFAOYSA-N	285.771	1.673	10	20	CDCD	
CNC(=O)[C@@H]1CCC[C@H]1N[C@@H]1CCc2cccc(O)c21	834697985	SNWLPWCCYAABQT-JHJVBQTASA-N	274.364	1.884	10	20	CDCD	
O=C(Nc1cccc(-c2nn[nH]n2)c1)c1cc(O)cs1	738177634	BIUYBWLMRDCQLC-UHFFFAOYSA-N	287.304	1.886	10	20	CDCD	
CCC(C)(C)OCC(=O)NCCc1ccc(O)c(O)c1	837481459	PIMIUFVSFHBDDM-UHFFFAOYSA-N	281.352	1.962	10	20	CDCD	
COc1ccc(CNC(=O)N[C@@H](C)C[C@@H](C)N)c(O)c1	831217626	DBPUELMGUXJEKO-ZJUUUORDSA-N	281.356	1.326	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2CC(C)(OC)C2)c1O	839100852	FGZKBGMNAUKINS-UHFFFAOYSA-N	282.296	1.530	10	20	CDCD	
COc1ccc(O)c(CNC(=O)NC[C@H](OC)C2CC2)c1	838474345	JCIMPEQMHQOHTB-AWEZNQCLSA-N	294.351	1.625	10	20	CDCD	
Cc1cccc(CN(C)CCN2CCNCC2)c1O	843053278	SMOMGTAMJNWABX-UHFFFAOYSA-N	263.385	1.038	10	20	CDCD	
Cc1cc(CCC(=O)NCCc2ccc(N)cc2)no1	911783060	PLMJIUYNVKVMDR-UHFFFAOYSA-N	273.336	1.857	10	20	CDCD	
CCOC[C@H](NC(=O)C(=O)Nc1ccc(N)cc1)C(C)C	841115134	YTAANLRGOUIGSR-ZDUSSCGKSA-N	293.367	1.385	10	20	CDCD	
CC(C)[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(N)cc1	841022670	FUJOMAOFCBDHMF-ZDUSSCGKSA-N	275.352	1.854	10	20	CDCD	
CCc1cccc(CN2CC[C@](F)(CO)C2)c1O	848909169	MKZIMNOUJUONPD-CQSZACIVSA-N	253.317	1.861	10	20	CDCD	
CNC[C@@H]1CCCN1Cc1cc(OC)c(OC)cc1O	843055566	LTFISMLRDDXPPM-LBPRGKRZSA-N	280.368	1.593	10	20	CDCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@@H](C)CO	840481345	IOHKXYGGCNUOPS-STQMWFEESA-N	293.411	1.672	10	20	CDCD	
C[C@@H](N)C[C@@H](C)NCc1cc2c(cc1O)OCO2	843129912	UFNGROQCBLWRMK-RKDXNWHRSA-N	252.314	1.336	10	20	CDCD	
CCNCC(=O)NCCCSc1nccs1	843439622	NAQNCJBDASZRCM-UHFFFAOYSA-N	259.400	1.351	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC[C@H](CO)[C@H]1CCOC1	840940602	ADZUNDWIQIOHFL-JKSUJKDBSA-N	292.423	1.796	10	20	CDCD	
CC(C)(NC(=O)c1cc(O)cs1)C(=O)N1CCCC1	846949817	JXVIGWQYEAZZHX-UHFFFAOYSA-N	282.365	1.585	10	20	CDCD	
COc1cccc([C@@H](C)N[C@H]2CC(=O)N(C3CC3)C2)c1O	846154543	NSVDKMJLAHWSEQ-MNOVXSKESA-N	290.363	1.815	10	20	CDCD	
C[C@@H]1CCN(Cc2cc3c(cc2O)OCO3)C[C@@H]1C(=O)O	843039107	AVDKFNQONWHMMK-KOLCDFICSA-N	293.319	1.664	10	20	CDCD	
CC(C)(N)CNC(=O)NCCCSc1nccs1	841858079	SRWOURVFWXPPNI-UHFFFAOYSA-N	288.442	1.662	10	20	CDCD	
Cc1cc(C)c(O)c(CN(C)C[C@@H]2COCCO2)c1	853558324	HJEDFEMDHVXZGM-CQSZACIVSA-N	265.353	1.856	10	20	CDCD	
CN(CC1=CCSC1)C(=O)c1c(F)ccc(O)c1O	857338432	GXGRCUAFYKLBMO-UHFFFAOYSA-N	283.324	1.982	10	20	CDCD	
Oc1ncccc1CNCc1ccc(N2CCOCC2)cc1	858304364	OTVZMQMDLKPZGY-UHFFFAOYSA-N	299.374	1.914	10	20	CDCD	
CCOC(C)(C)C(=O)NCc1ccc(OC)cc1O	867955541	CIZXYAAQFBUVLN-UHFFFAOYSA-N	267.325	1.832	10	20	CDCD	
CCN1CCOC[C@H]1C(=O)NCc1cc(C)ccc1O	862758009	LOOQDZDYQMHSDI-ZDUSSCGKSA-N	278.352	1.038	10	20	CDCD	
CO[C@H](C)CCNCc1ccc(N2CCN(C)CC2)cc1	771827499	KCDDKIJZWVOZIW-OAHLLOKOSA-N	291.439	1.953	10	20	CDCD	
Cc1cc(Cn2cc(Cn3cccn3)nn2)ccc1N(C)C	881379111	YPSWMMJCIRQIKY-UHFFFAOYSA-N	296.378	1.946	10	20	CDCD	
C[C@H](NCCNc1cnccn1)c1ccccc1O	783521420	XEGXTQFVGZVAEE-NSHDSACASA-N	258.325	1.945	10	20	CDCD	
C[C@@H]1CN(Cc2cc(Cl)cc(F)c2O)C[C@@H](CO)O1	787417894	QSMZRMZAASOISG-KCJUWKMLSA-N	289.734	1.766	10	20	CDCD	
COC(=O)CC(C)(C)NCc1ccc(OC)c(OC)c1O	893351969	WCHKPHQAFNJUIX-UHFFFAOYSA-N	297.351	1.841	10	20	CDCD	
CNC(=O)CCCN(C)C(=O)c1ccc(C)c(O)c1O	780995881	UREXWSNLJZEOBP-UHFFFAOYSA-N	280.324	1.004	10	20	CDCD	
C[C@@]1(CO)C[C@H](O)CN1Cc1cc(Cl)c(F)cc1O	895326472	YCMHYRHZKKQUQL-ZANVPECISA-N	289.734	1.502	10	20	CDCD	
COCCn1ccc(NC(=O)c2c(F)ccc(O)c2O)n1	789966810	KOWZAOYNBMLVHF-UHFFFAOYSA-N	295.270	1.332	10	20	CDCD	
CC1=NO[C@H](CNCc2cc3c(cc2O)OCO3)C1	895309340	AKTMKSWDRAYZHM-JTQLQIEISA-N	264.281	1.375	10	20	CDCD	
COc1ccc(CN(C)C(=O)c2cccc(O)c2O)cn1	790902657	ZEIHUTSIDKMCRE-UHFFFAOYSA-N	288.303	1.774	10	20	CDCD	
CC[C@@H](NC[C@@H](O)CN(C)C)c1ccc(F)cc1O	796754281	JBSLMPVADXMKAL-DGCLKSJQSA-N	270.348	1.495	10	20	CDCD	
C[C@@H]1CN(C(=O)NCc2ccc(N)cc2)CC(C)(C)O1	1335730642	NPBANZAPLVRYJY-LLVKDONJSA-N	277.368	1.978	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)CO[C@@H]2CCOC2)c1	1253770054	RJBYCXMCNPAWGO-ZYHUDNBSSA-N	295.335	1.384	10	20	CDCD	
COCC(COC)N1CCN(Cc2ccc(N)cc2)CC1	1334775269	URHSBTHNVKZNIK-UHFFFAOYSA-N	293.411	1.048	10	20	CDCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2NCCN1CC[C@@H](O)C1	1261791742	ZKTYLNVPKDJFLH-MGPQQGTHSA-N	290.407	1.905	10	20	CDCD	
Cc1cccc(CN2CCC[C@@H]2C(=O)N(C)C)c1O	179636989	RZFDAXJOTLFEAX-CYBMUJFWSA-N	262.353	1.753	10	20	CDCD	
CSC1(C(=O)NCc2cccc(O)c2O)CC1	1263894477	IOISEDJOUAFSQZ-UHFFFAOYSA-N	253.323	1.610	10	20	CDCD	
C[C@H](O)[C@H](C)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	1356114677	YGIDFPBDFVFZNL-XEZPLFJOSA-N	279.428	1.714	10	20	CDCD	
Nc1ccc(NC(=O)[C@H]2CC[C@@H](CCC(=O)O)O2)cc1	1608273733	YKCHMMTURRWRJL-NWDGAFQWSA-N	278.308	1.620	10	20	CDCD	
C[C@@H](CN(C)C(=O)c1c(F)ccc(O)c1O)C(=O)O	1589028374	ABEUPTCOTYCUGI-LURJTMIESA-N	271.244	1.030	10	20	CDCD	
CCN(Cc1cn(CC(=O)O)nn1)c1ccc(OC)cc1	1596377720	CWBJEHYDZMVXLJ-UHFFFAOYSA-N	290.323	1.398	10	20	CDCD	
C[C@@H]1CN(C(=O)c2c(F)ccc(O)c2O)C[C@H]1CC(=O)O	1599862057	OIFHIZFKAKVNFT-HTQZYQBOSA-N	297.282	1.420	10	20	CDCD	
C[C@H]1[C@@H](O)CCN1c1ccc(/C=C\C(=O)O)cc1[N+](=O)[O-]	1599937314	VXNXGPUSBBGISR-QSHIROIYSA-N	292.291	1.652	10	20	CDCD	
CO[C@H](CNCc1cc(F)cc(F)c1O)CC(=O)O	1777147840	VVCGXABRAYJQNV-VIFPVBQESA-N	275.251	1.250	10	20	CDCD	
CN(CCO)C(=O)NCCCSc1nccs1	153198124	XVTSEDTWJSCPKX-UHFFFAOYSA-N	275.399	1.259	10	20	CDCD	
CCNC(=O)CNC1CCN(c2ccc(OC)cc2)CC1	157932326	PELSXDUUCJVTEK-UHFFFAOYSA-N	291.395	1.390	10	20	CDCD	
CCn1nccc1CNC(=O)Cc1ccc(N)cc1	852927394	MRFZXVCSWHKLSF-UHFFFAOYSA-N	258.325	1.344	10	20	CDCD	
CS[C@@H](CO)[C@H](C)NC(=O)Nc1ccc(N)cc1	841299688	HWOJWYLUROHMFR-KWQFWETISA-N	269.370	1.503	10	20	CDCD	
C[C@@H]1O[C@H](C)[C@@H](C(=O)NCCc2ccc(N)cc2)[C@H]1C	252686527	YDWFUBWPZIDPOS-OHTBPHCPSA-N	276.380	1.987	10	20	CDCD	
COc1ccc(O)c([C@@H](C)N[C@H](C)C(=O)N(C)C)c1	36794242	CNTXMKCFECEOCA-NXEZZACHSA-N	266.341	1.528	10	20	CDCD	
CCN(CC)C[C@H](C)NCc1cc2c(cc1O)OCO2	45693722	CITCVYFLXZUNBD-NSHDSACASA-N	280.368	1.941	10	20	CDCD	
CN1[C@H]2CCC[C@H]1CC(NC(=O)Cc1ccc(N)cc1)C2	115887159	RCALELNJAKKNKW-HOTGVXAUSA-N	287.407	1.943	10	20	CDCD	
CC(C)NC(=O)[C@@H](C)N[C@H](C)c1ccccc1O	228941336	MOGNEMWDCYKFMB-GHMZBOCLSA-N	250.342	1.956	10	20	CDCD	
CCOc1cccc(CNC2CCN(C(C)=O)CC2)c1O	37138406	PUWQEQKAYSWXGZ-UHFFFAOYSA-N	292.379	1.891	10	20	CDCD	
CN(Cc1cc(F)ccc1O)CC1(O)CCOCC1	188841670	SEIPVQJWPSOHMX-UHFFFAOYSA-N	269.316	1.505	10	20	CDCD	
CCOC[C@H](O)CN(C)c1ccc(OC)c(F)c1	131425361	MHVLWBGNPPTALZ-LLVKDONJSA-N	257.305	1.668	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@]2(C)CCCNC2)c1	237208640	TZNATWWHWYHNJR-MEDUHNTESA-N	292.379	1.968	10	20	CDCD	
CN1CCN(C)[C@@H](CN[C@@H]2CCc3cccc(O)c32)C1	297704451	MNNHOLIODUWJDY-UONOGXRCSA-N	275.396	1.215	10	20	CDCD	
Cc1ncncc1C(=O)N1CCOc2cc(N(C)C)ccc21	266389079	ZJDCHUKHLWJRRN-UHFFFAOYSA-N	298.346	1.890	10	20	CDCD	
CC(C)[C@@H](C(=O)NCc1ccccc1O)N(C)C	269151483	QYWVYITXJUJGTR-ZDUSSCGKSA-N	250.342	1.595	10	20	CDCD	
CCN(CCNS(C)(=O)=O)c1ccc(OC)cc1	264560912	UTUXOFPGLJXJLY-UHFFFAOYSA-N	272.370	1.071	10	20	CDCD	
C[C@@H]1CN(c2ccc(CNC(=O)CO)cc2F)C[C@@H](C)O1	270748512	HZMFJLDGAWHWLX-GHMZBOCLSA-N	296.342	1.048	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H](C)[C@H]2CCOC2)c1O	278551915	ZGSWDPIZQLDGRT-ONGXEEELSA-N	296.323	1.824	10	20	CDCD	
COC(=O)[C@@]1(F)CCN(Cc2cc(OC)ccc2O)C1	271866234	RERMYLBQHWGOSI-CQSZACIVSA-N	283.299	1.488	10	20	CDCD	
OC[C@@H](CNCc1ccc2c(c1)CCO2)[C@H]1CCOC1	280216203	GAWWQDKCPOSIQQ-LSDHHAIUSA-N	277.364	1.356	10	20	CDCD	
OC[C@H](CNCc1cccc(Cl)c1O)[C@H]1CCOC1	280793324	HQNPIQHTYVEJLB-RYUDHWBXSA-N	285.771	1.780	10	20	CDCD	
CCOc1ccc(O)c(CNC[C@@H](CO)[C@H]2CCOC2)c1	280315867	OVFQZDCUUMITDZ-JSGCOSHPSA-N	295.379	1.526	10	20	CDCD	
O=C(NCc1ccccc1O)c1cncc(-n2ccnn2)c1	801928709	XTDLSONWDJEFPY-UHFFFAOYSA-N	295.302	1.298	10	20	CDCD	
CC(C)S(=O)(=O)CCNC(=O)c1cc(O)cs1	811555552	FEKZOBGIMJYZJW-UHFFFAOYSA-N	277.367	1.007	10	20	CDCD	
COCCNCCN[C@H](C)c1cc(C(=O)OC)ccc1O	817964839	KUGHJZVWVFCBFO-LLVKDONJSA-N	296.367	1.065	10	20	CDCD	
COc1cc(O)c(CN2C[C@@H](C)C[C@@H](CO)C2)cc1OC	817412323	IUWLXOPJHSPGMB-NWDGAFQWSA-N	295.379	1.860	10	20	CDCD	
COc1ccc(N2CC[C@@H](CN3C(=O)CNC3=O)C2)cc1	819176635	LSOZNUIPKCMUKC-LLVKDONJSA-N	289.335	1.073	10	20	CDCD	
COc1ncc(/C=C\C(=O)N(C)c2ncccc2F)cn1	492729277	AVFSSCOCQZGMRK-WAYWQWQTSA-N	288.282	1.696	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)CCC(=O)O)c1	836723691	JGEWZFSTXCFXCG-QMMMGPOBSA-N	267.281	1.443	10	20	CDCD	
CCc1nn(C)c2n[nH]c(NC(=O)c3cc(O)cs3)c12	734558837	YLQVVEMCSOXKFK-UHFFFAOYSA-N	291.336	1.878	10	20	CDCD	
COc1ccc(CNC(=O)C[C@H](N)C2CC2)c(O)c1	832178414	QZJZLXKRYFLBDL-LBPRGKRZSA-N	264.325	1.144	10	20	CDCD	
COCCN(CCC(=O)O)Cc1cccc(Cl)c1O	904269517	IYIOFSXQWABGSX-UHFFFAOYSA-N	287.743	1.969	10	20	CDCD	
Cc1cc(O)c(CN2CCOC[C@@H]2C(=O)O)cc1C	833746599	DGMSMYNRIPCZCZ-GFCCVEGCSA-N	265.309	1.294	10	20	CDCD	
CCc1cccc(CN2C[C@@H](C)S(=O)(=O)[C@H](C)C2)c1O	692116087	QYCCLXOVCWKOPA-VXGBXAGGSA-N	297.420	1.962	10	20	CDCD	
CC[C@@H]1CN(C(=O)NCCc2ccc(N)cc2)CC[C@H]1N	841955717	LBDHSKVIEGYWGQ-UKRRQHHQSA-N	290.411	1.580	10	20	CDCD	
O=C(C[C@H]1CCCOC1)NCc1ccc(O)cc1O	910946576	QPSJQLBVUYNZOQ-SNVBAGLBSA-N	265.309	1.531	10	20	CDCD	
C[C@@H](CN)N(C)C(=O)NCc1ccc2c(c1)CCCN2C	841759449	OABZIFFPTFKNNM-LBPRGKRZSA-N	290.411	1.558	10	20	CDCD	
CC(C)[C@H]1CCCN1C(=O)C(=O)Nc1ccc(N)cc1	841022669	FUJOMAOFCBDHMF-CYBMUJFWSA-N	275.352	1.854	10	20	CDCD	
O=C(CCOC[C@H]1CCCO1)NCc1ccc(O)cc1O	910951346	FYIVECTUUZZFRF-CYBMUJFWSA-N	295.335	1.300	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H](C)CCN)c1	841968088	TWGWOCFIOXDXRR-VHSXEESVSA-N	281.356	1.498	10	20	CDCD	
CCc1cccc(CNCc2nnnn2CC2CC2)c1O	848902906	JKSQPKDPEXBIQX-UHFFFAOYSA-N	287.367	1.641	10	20	CDCD	
CC[C@H](C)[C@H](N)C(=O)NC[C@H](N)c1ccc(N(C)C)cc1	841845624	BESYXLHYJCOJQO-CQDKDKBSSA-N	292.427	1.242	10	20	CDCD	
CCCN1CC(=O)N[C@@H]1c1ccc(N(C)C)cc1C	840825817	AAKVOSBQCGBBTO-HNNXBMFYSA-N	261.369	1.901	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)N[C@H]1CCC[C@H](N)C1	841981787	IVOZKTYVJSJQLY-STQMWFEESA-N	277.368	1.804	10	20	CDCD	
CO[C@H](CNC(=O)NCCc1ccc(N)cc1)C(C)C	841845499	AKJXATCGZOBRFR-CQSZACIVSA-N	279.384	1.782	10	20	CDCD	
C[C@](CO)(NC(=O)NCCc1ccc(N)cc1)C1CC1	841958695	HOFJXATUKNYVBQ-OAHLLOKOSA-N	277.368	1.272	10	20	CDCD	
COc1cc(O)c(CN2CC[C@]3(CCCN3)C2)cc1OC	841105276	GPSNWCOECFMFHZ-MRXNPFEDSA-N	292.379	1.737	10	20	CDCD	
CN(C)c1ccc([C@H](N)CN[C@H]2CCNC2(C)C)cc1	925693850	SCXYVHKUUCZJGD-CABCVRRESA-N	276.428	1.483	10	20	CDCD	
O=C(O)/C=C\c1ccc(N2CCC[C@@H](O)C2)c([N+](=O)[O-])c1	920957481	HFBYOXOORXCQCQ-VLWUPBBWSA-N	292.291	1.654	10	20	CDCD	
CNC(=O)[C@@H]1CCC[C@H]1NC(=O)c1cc(O)cs1	766249290	IJFIRSCJCONUPE-RKDXNWHRSA-N	268.338	1.098	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@@H](O)C(C)(C)C)c1	862758013	LQLZHIRGLQBCFQ-GFCCVEGCSA-N	251.326	1.724	10	20	CDCD	
C[C@@H](NC(=O)NC[C@@H]1COC(C)(C)O1)c1ccccc1O	875481460	WZUUCCPCNWQOIA-GHMZBOCLSA-N	294.351	1.904	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N1C[C@H]2COC[C@H]2C1	872317620	ADNBCOSVGZTPHI-AGQFFEFTSA-N	275.304	1.216	10	20	CDCD	
CC(=O)NC(C)(C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	773018507	MEFQZOHOBXBIOE-NSHDSACASA-N	291.395	1.845	10	20	CDCD	
COC(=O)CC(C)(C)NCc1cc(OC)c(OC)cc1O	777482891	DAZXRDXUOZIYCU-UHFFFAOYSA-N	297.351	1.841	10	20	CDCD	
COc1cc(O)c(CN[C@H](CO)CC(C)C)cc1OC	776048604	PIMFOJPLEOTRML-LBPRGKRZSA-N	283.368	1.906	10	20	CDCD	
C[C@@H]1COCCN(C(=O)NCc2ccc(N)cc2)C1	1120585151	ZPHDWFSRGSOHAN-NSHDSACASA-N	263.341	1.447	10	20	CDCD	
CC1(C)C[C@@H]1C(=O)OCC(=O)c1ccc(O)c(O)c1	784337560	GSYKXUOSGKEGFC-SECBINFHSA-N	264.277	1.870	10	20	CDCD	
CCC[C@@](C)(O)C(=O)OCC(=O)c1ccc(O)c(O)c1	784280042	AUMUFMOJAHWDMW-CQSZACIVSA-N	282.292	1.375	10	20	CDCD	
Cn1cc([C@@H](CO)NCc2c(O)ccc(Cl)c2F)cn1	790980821	PZTXOBKSBDPCGL-LLVKDONJSA-N	299.733	1.741	10	20	CDCD	
COc1cc(O)c(CN[C@@H]2COC[C@@H]2C)cc1OC	896738089	YEZKPDIRXZYPTH-GXSJLCMTSA-N	267.325	1.534	10	20	CDCD	
Cc1ccc(C(=O)OCCC[C@@H](C)O)c(O)c1O	795481608	GJFBZGGSDHNPJM-SECBINFHSA-N	254.282	1.724	10	20	CDCD	
CCCN(Cc1ccccc1O)[C@H]1CCC(=O)NC1=O	799125971	VZZTYRVAZNTZRX-LBPRGKRZSA-N	276.336	1.409	10	20	CDCD	
COc1ccc(CNC(=O)c2nccn3ccnc23)c(O)c1	794378644	AKIJKJXGSNKMFU-UHFFFAOYSA-N	298.302	1.374	10	20	CDCD	
Cc1ccc([C@H](C)NC[C@H]2COCCO2)c(O)c1	38060609	RLFHSVPDHPZQPY-RYUDHWBXSA-N	251.326	1.767	10	20	CDCD	
O=C(c1c(F)ccc(O)c1O)N1CC[C@H]2OCCC[C@@H]2C1	1324411380	BMCLRFGXHBXGSR-BXKDBHETSA-N	295.310	1.878	10	20	CDCD	
CC(C)CCNC(=O)C(=O)N(C)Cc1ccccc1O	1321866365	RKCFGLZZEKDQCR-UHFFFAOYSA-N	278.352	1.513	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1C[C@@H]1F	1338824388	HTASZQRQLRJFJL-QWRGUYRKSA-N	264.300	1.836	10	20	CDCD	
CC[C@]1(CO)CCCN(C(=O)NCc2ccc(N)cc2)C1	1337018207	HMHOHYXEWMNDKB-INIZCTEOSA-N	291.395	1.963	10	20	CDCD	
C[C@H](NCCC(=O)O)c1cc([N+](=O)[O-])ccc1O	1589126873	OBGNKCWZCWOUHC-ZETCQYMHSA-N	254.242	1.426	10	20	CDCD	
C[C@@H](CCO)N(C)c1ccc(/C=C\C(=O)O)cc1[N+](=O)[O-]	1592530551	USGHLVMDQHNUPB-OAQKJQOQSA-N	294.307	1.900	10	20	CDCD	
C[C@H](N[C@H]1CC[C@@H](CN)C1)c1cc(C(=O)O)ccc1O	1593222556	KYMDPROZUMLTJC-UMNHJUIQSA-N	278.352	1.868	10	20	CDCD	
C[C@H](N[C@H](C)C[S@](C)=O)c1cc(F)ccc1O	168869353	AXZXMKAQIQBIGX-KSRUKNBBSA-N	259.346	1.949	10	20	CDCD	
COc1cccc(CNC(=O)Nc2ccnn2C)c1O	154876340	DNUXTZLUQCSLGY-UHFFFAOYSA-N	276.296	1.456	10	20	CDCD	
CC[C@@H]1NCC[C@H]1C(=O)N(C)Cc1ccccc1O	289744189	VZDKFFYQPKITTE-OLZOCXBDSA-N	262.353	1.739	10	20	CDCD	
Cc1c(S(=O)(=O)N(C)Cc2ccccc2O)cnn1C	293380933	LPDCXVPUYRKYCG-UHFFFAOYSA-N	295.364	1.255	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CC(C)(C)CN)cc1	721213593	QMJCJZJCYIGYIQ-UHFFFAOYSA-N	263.385	1.744	10	20	CDCD	
CCOCCO[C@H](C)C(=O)NCc1ccc(N(C)C)cc1	57438911	VZMUYPKVSPLENI-CYBMUJFWSA-N	294.395	1.810	10	20	CDCD	
NC[C@@H]1CN(Cc2cc(F)ccc2O)CCCO1	313345633	RFNLDCLHYCNXBY-GFCCVEGCSA-N	254.305	1.081	10	20	CDCD	
CCOCCN(C)c1ccc(OCC(=O)OC)cc1	183806318	XPDIZOTXRPBFDG-UHFFFAOYSA-N	267.325	1.711	10	20	CDCD	
Cc1cnc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cn1	183428437	TVZDZWSVWOYBDW-SECBINFHSA-N	287.319	1.557	10	20	CDCD	
CCCN(CCOCCO)Cc1ccccc1O	132726974	YNUPSLMIGLCPCO-UHFFFAOYSA-N	253.342	1.613	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccnc1	183425896	JESCDGJLOYAEQL-SNVBAGLBSA-N	272.304	1.854	10	20	CDCD	
COCCC(C)(C)C(=O)NCc1ccc(O)c(O)c1	183977948	UYVLOJFXQRDZRM-UHFFFAOYSA-N	267.325	1.777	10	20	CDCD	
C[C@H](O)CCCNCc1cc2c(cc1O)OCO2	227962394	FURGPIRSHVTTIM-VIFPVBQESA-N	253.298	1.372	10	20	CDCD	
COCCOCCN(C)Cc1cc(C)ccc1O	290238328	ULIKCSPNWPEWKC-UHFFFAOYSA-N	253.342	1.795	10	20	CDCD	
CCOC1CC(O)(CNCc2ccccc2O)C1	277724813	NYPDWZQAJHKCBZ-UHFFFAOYSA-N	251.326	1.412	10	20	CDCD	
Cc1ccc(O)c(CN2CC[S@](=O)C[C@H](C)C2)c1	277588880	UQUXAIGDQYQMCE-XIKOKIGWSA-N	267.394	1.901	10	20	CDCD	
CN(CCc1cnn(C)c1)c1ccc2c(c1)OCO2	270142081	IJPVLYFYTDDJAU-UHFFFAOYSA-N	259.309	1.828	10	20	CDCD	
C[C@@H]1COCCN1C(=O)/C=C/c1ccc(O)c(O)c1	272445735	MYLVEIPYIQFJPQ-RXNUUUNCSA-N	263.293	1.358	10	20	CDCD	
Cc1cc(O)c(CNC[C@@H](CO)[C@H]2CCOC2)cc1C	280388006	WLPGFEFYWBJDRN-ZFWWWQNUSA-N	279.380	1.744	10	20	CDCD	
C[C@@H](N[C@H]1CCCN(CCCO)C1)c1ccccc1O	297346148	OUQLXCZNWANRJB-KGLIPLIRSA-N	278.396	1.890	10	20	CDCD	
Cc1cc(O)c(CN2CC[C@@](F)(CO)C2)cc1C	802660597	QSULHISYQIVFKV-AWEZNQCLSA-N	253.317	1.915	10	20	CDCD	
Oc1cccc(Cl)c1CN[C@H]1CCc2nnnn2CC1	817419015	OCVHIMKUYDOBKF-VIFPVBQESA-N	293.758	1.527	10	20	CDCD	
CC[C@@H](NC[C@@H](N)c1ccc(N(C)C)cc1)[C@@H]1CCCN1	817940701	GWNYWVVTAPYWBD-ZACQAIPSSA-N	290.455	1.873	10	20	CDCD	
CCn1nnc(C)c1CN(C)Cc1ccccc1O	823408811	QPHDNZCORPVJCJ-UHFFFAOYSA-N	260.341	1.944	10	20	CDCD	
Cc1cc(O)c(CN(C)CCC(N)=O)cc1Cl	825893089	OKVRXUPYFJWCJN-UHFFFAOYSA-N	256.733	1.661	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)Nc1ncccc1O	588424494	ZPVMLESMCGQYJT-XQRVVYSFSA-N	272.260	1.850	10	20	CDCD	
O=C(CC[C@H]1CCCO1)NCc1ccc(O)cc1O	828027584	VYDVYUCXZSLPBS-GFCCVEGCSA-N	265.309	1.673	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1(N(C)C)CC1	831925230	UBMDGHMSMMRARQ-SNVBAGLBSA-N	278.352	1.239	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCC2(C1)OCCO2	732286645	IZYNSNKVMQDRSR-UHFFFAOYSA-N	255.295	1.043	10	20	CDCD	
COc1cccc([C@@H](C)NC[C@H]2CCN2C)c1O	903316045	MFMMSGLJHRTKIM-GHMZBOCLSA-N	250.342	1.756	10	20	CDCD	
CC(C)Cn1cc(C(=O)NCc2ccc(O)cc2O)cn1	910948820	AYLXFWUGGDVHIV-UHFFFAOYSA-N	289.335	1.880	10	20	CDCD	
COc1cccc(O)c1CNC[C@H](O)c1ccco1	747099132	RPFJRBGXNWSOSS-LBPRGKRZSA-N	263.293	1.817	10	20	CDCD	
COC(=O)[C@H]1C[C@@H](O)CN(Cc2cc(Cl)ccc2O)C1	843434072	HILLEPDRPNYLKJ-CMPLNLGQSA-N	299.754	1.401	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1NC(=O)O[C@@H]1C	841394846	QLVZTMFQHCRXKH-MFKMUULPSA-N	291.351	1.174	10	20	CDCD	
Nc1ccc(CCNC(=O)NCC2(O)CCCC2)cc1	841953815	DNPAJVPYSMYXRZ-UHFFFAOYSA-N	277.368	1.416	10	20	CDCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)CO	840555526	QZUHQPQGMCQITE-NSHDSACASA-N	250.342	1.101	10	20	CDCD	
C[C@@H]1[C@@H](C)N(C(=O)c2cccc(O)c2O)[C@H](C)C(=O)N1C	912015914	VPVSCNLXZDDGCK-OPRDCNLKSA-N	292.335	1.178	10	20	CDCD	
Nc1ccc(Cc2noc(COC[C@@H]3CCCO3)n2)cc1	843160446	YHHZGKOMUZOIRA-ZDUSSCGKSA-N	289.335	1.938	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CCC(O)(CN)CC2)c1O	842480673	YZXUACAABAHANB-UHFFFAOYSA-N	296.342	1.020	10	20	CDCD	
COc1ccc(N2CCC(N[C@@H](CO)CCF)CC2)cc1	846098169	NWWKHVFQKFMAFQ-CQSZACIVSA-N	296.386	1.974	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1CCC[C@H](C(N)=O)C1	840908790	XTVHGELWOWINKU-AWEZNQCLSA-N	275.396	1.758	10	20	CDCD	
NC[C@@H]1CN(Cc2cc(Cl)cc(F)c2O)CCCO1	841100056	DISDHWDQGABGOT-LLVKDONJSA-N	288.750	1.734	10	20	CDCD	
C[C@H](CN)CNC(=O)NCc1ccc2c(c1)CCCN2C	841760488	WHCNBRYBFBIPQP-GFCCVEGCSA-N	290.411	1.463	10	20	CDCD	
NC1CCN(Cc2ccc(N3CCOCC3)cc2)CC1	843047411	OAJNBYHGHKPELV-UHFFFAOYSA-N	275.396	1.446	10	20	CDCD	
C[C@@H](CN)NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1	841881647	UCASCIIOKIVGPI-QWRGUYRKSA-N	264.373	1.460	10	20	CDCD	
COc1ccc(CN[C@@H]2CC[C@H](C(N)=O)C2)cc1C	825279108	OEVCGCAFJJMRPH-QWHCGFSZSA-N	262.353	1.747	10	20	CDCD	
CN[C@@H](C)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1	848426751	FXANICSNTCQUDK-GXTWGEPZSA-N	292.379	1.508	10	20	CDCD	
Oc1c(F)cccc1CN[C@H]1CNCCC1(F)F	841074021	BBBUPFXDZXQSIM-JTQLQIEISA-N	260.259	1.618	10	20	CDCD	
O=[N+]([O-])c1cc(Cl)cc(CN[C@H]2C[C@H](O)C2)c1O	850418002	VCNRLNFSQZWYCQ-KYZUINATSA-N	272.688	1.567	10	20	CDCD	
C[C@H]1CCN(Cc2cc3c(cc2O)OCO3)C[C@@H]1CO	857061736	UUAKSLZIXGZNLN-CMPLNLGQSA-N	279.336	1.571	10	20	CDCD	
COc1cccc(CNC(=O)NCc2ocnc2C)c1O	923801803	AFCLDCIISUATIV-UHFFFAOYSA-N	291.307	1.697	10	20	CDCD	
O[C@@H](CNCc1ccc2c(c1)CCCO2)CN1CCCC1	921586069	IFHXGMKPLDJPPJ-INIZCTEOSA-N	290.407	1.558	10	20	CDCD	
C[C@H]1C[C@H](NCCN2CC[C@H](O)C2)c2c(O)ccc(F)c21	858601077	BJFPSVWJTNVURJ-GVXVVHGQSA-N	294.370	1.736	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)C[C@@H]1CCC(=O)N1	935947377	WJNZKHPUCJJECL-JTQLQIEISA-N	297.351	1.163	10	20	CDCD	
Oc1ccccc1CNCc1cn(C[C@H]2CCCO2)nn1	865441007	ADXAVPDGGUCLDR-CQSZACIVSA-N	288.351	1.453	10	20	CDCD	
C[C@H](O)CN(C)Cc1cc(F)c(N(C)C)cc1F	862324135	DHWUCHDVRSAAQX-VIFPVBQESA-N	258.312	1.843	10	20	CDCD	
CNC(=O)[C@@H]1CCC[C@H]1NCc1ccc(N(C)C)c(F)c1	765797235	QXHOGQAVJAMONY-TZMCWYRMSA-N	293.386	1.896	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)C(=O)N2CCC[C@@H](C)C2)c1	862757354	QIZUOOLTRHJEDR-GFCCVEGCSA-N	290.363	1.575	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NCc1ncc[nH]1	779485422	QIJDWZONCBQFAX-DUXPYHPUSA-N	259.265	1.151	10	20	CDCD	
CCO[C@@H](CC)C(=O)NCc1ccc(O)c(O)c1	778919947	RBLWVWNWHWPAJB-LBPRGKRZSA-N	253.298	1.529	10	20	CDCD	
C[C@H](NCCCn1cc(CO)nn1)c1c(O)cccc1F	886612232	GQOVSEBCNJKJDO-JTQLQIEISA-N	294.330	1.356	10	20	CDCD	
CCC(CC)(NC(=O)c1ccc(C)c(O)c1O)C(=O)OC	780951166	DXNFHCHRYIGEPO-UHFFFAOYSA-N	295.335	1.868	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)c1cncc(O)c1	786408941	KQDXOXSUVJABSN-UHFFFAOYSA-N	260.249	1.128	10	20	CDCD	
CCN(CC)c1ccc(CN2C[C@@H](O)C[C@]2(C)CO)cc1	895327350	MOMUQTSTGNBQAQ-DLBZAZTESA-N	292.423	1.850	10	20	CDCD	
COC(=O)CCN(CC(=O)O)Cc1cc(C)ccc1O	883520015	LPIARJPWOLDSQQ-UHFFFAOYSA-N	281.308	1.150	10	20	CDCD	
COc1cc(C)cc(CNC2([C@H](C)O)CC2)c1O	895336823	USGSELFNWYZQOA-JTQLQIEISA-N	251.326	1.712	10	20	CDCD	
O=C(COC(=O)C1[C@H]2CCC[C@H]12)c1ccc(O)c(O)c1	784565887	PBLYLVJCLUOKRO-UWVGGRQHSA-N	276.288	1.870	10	20	CDCD	
COc1ccc(CNCc2cc[nH]n2)c(O)c1OC	892515407	QFVMTBHBLGSGQS-UHFFFAOYSA-N	263.297	1.422	10	20	CDCD	
COC(=O)[C@H]1C[C@@H](NCc2cc(F)cc(F)c2O)C1	895317402	MZGUWHXNVVUSFO-WKFQBHICSA-N	271.263	1.712	10	20	CDCD	
Cc1cccc(CNCCCN2CCCN(C)CC2)c1O	894377588	BTSWGFGLWASZNM-UHFFFAOYSA-N	291.439	1.818	10	20	CDCD	
C[C@@H]1CN(C(=O)c2cc(O)cs2)C[C@@H](C)S1=O	792515018	MCEFTYXTXISWDP-HTQZYQBOSA-N	273.379	1.435	10	20	CDCD	
CCO[C@@H]1C[C@H](NCc2cccc(C)c2O)[C@H]1OC	274847453	AIXZQKBFTZGVBO-GZBFAFLISA-N	265.353	1.983	10	20	CDCD	
COCCCc1cn(Cc2ccc(N(C)C)cc2)nn1	1331227598	KAYAOOHRLJFIPJ-UHFFFAOYSA-N	274.368	1.971	10	20	CDCD	
Nc1ccc(CCNC(=O)NC[C@@H]2CCOC2)cc1	1335588696	JMQFCBAJTFBPHF-LBPRGKRZSA-N	263.341	1.147	10	20	CDCD	
Cc1ccc(O)c(CNCc2ccc(S(C)(=O)=O)o2)c1	1335329524	KVBSOTQDMZRSSK-UHFFFAOYSA-N	295.360	1.987	10	20	CDCD	
Nc1ccc(CN2CC[C@@H]3COC(=O)N[C@H]3C2)cc1	1345159827	NPMDRTNNVIAICI-YPMHNXCESA-N	261.325	1.199	10	20	CDCD	
COc1cc(C)c(CN2CC[C@@](OC)(C(=O)O)C2)c(O)c1	1607148864	UOPFGVVLBRQMAA-HNNXBMFYSA-N	295.335	1.385	10	20	CDCD	
COc1cccc(O)c1CN1C[C@@H](C)C[C@@H](C(=O)O)C1	1604870821	BVGSBYANRIDCEH-WDEREUQCSA-N	279.336	1.943	10	20	CDCD	
C[C@H]1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CN1	1576667906	WLHWZUHSKLYLJJ-CABZTGNLSA-N	289.339	1.719	10	20	CDCD	
CC[C@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1O)C(=O)O	1593623371	XIWOHWHGGKZKOZ-XVKPBYJWSA-N	268.269	1.814	10	20	CDCD	
C[C@@H]1C[C@H]1[C@@H](NCc1ccc2c(c1)CCO2)C(=O)O	1776603679	YXXUPZPQSVEVJC-GAJTVXKRSA-N	261.321	1.820	10	20	CDCD	
Cn1cc(/C=C/C(=O)NCCc2ccc(O)c(O)c2)cn1	157932122	CABUMAXTFKHSEN-HWKANZROSA-N	287.319	1.203	10	20	CDCD	
Cc1ccc(O)c(CN2CCC[C@H](NS(C)(=O)=O)C2)c1	154125631	QZCNBXSOEXZMDK-ZDUSSCGKSA-N	298.408	1.214	10	20	CDCD	
COc1ccc(O)c(CNC[C@@H]2CCCN(C)C2)c1	44534243	VEGGSNNFNSEUSL-LBPRGKRZSA-N	264.369	1.832	10	20	CDCD	
C[C@H](NC(=O)[C@@H]1C[C@H]2CC[C@H]1NC2)c1ccccc1O	870987709	AXZFKPVAZMSDDT-OIMNJJJWSA-N	274.364	1.958	10	20	CDCD	
Cc1cc(O)c(CN2CCC[C@@H](C(N)=O)C2)cc1C	119918794	XNFFMKOOEDNWNP-GFCCVEGCSA-N	262.353	1.706	10	20	CDCD	
CN(C(=O)CO[C@@H]1CCOC1)c1ccc(N)cc1	110525074	OUCLLBBBMYXILR-GFCCVEGCSA-N	250.298	1.037	10	20	CDCD	
COCCCCNC(=O)NCc1cccc(OC)c1O	173887097	MMSIHUUFIPTICL-UHFFFAOYSA-N	282.340	1.627	10	20	CDCD	
COCCN(CC(=O)O)Cc1c(O)cccc1Cl	128827778	ARIREMGRDWPVRQ-UHFFFAOYSA-N	273.716	1.579	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)C(=O)Nc1cccnc1	122354280	GQBXPLABWYBTCD-UHFFFAOYSA-N	285.303	1.384	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)c1ccc(F)cc1O	122107918	PCONNLXBACFXPM-UHFFFAOYSA-N	291.278	1.915	10	20	CDCD	
CCOc1cccc(CN2CC[C@](C)(O)C2)c1O	180190016	IWSYANQPPFCVNO-AWEZNQCLSA-N	251.326	1.748	10	20	CDCD	
CCCNC(=O)CN[C@H](CC)c1ccccc1O	36780863	PBCXUKJLYXUTKK-GFCCVEGCSA-N	250.342	1.959	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@H]2CCCCN2)cc1	40825784	XQQLAEAIAXZKBE-AWEZNQCLSA-N	261.369	1.511	10	20	CDCD	
C[C@H](NCc1ccccc1O)c1nnnn1C1CC1	191832005	PLNWFSXGOQKIQK-VIFPVBQESA-N	259.313	1.564	10	20	CDCD	
Cc1ccc(C(=O)N2C[C@@H]3CN(C)C[C@@H]3C2)c(O)c1O	192466434	DFCRGWMXJHMRJW-PHIMTYICSA-N	276.336	1.040	10	20	CDCD	
CC(C)[C@@H](C(=O)Nc1ccc(N)cc1)N1CCCC1=O	236659751	VXZJUNXAUVATOD-AWEZNQCLSA-N	275.352	1.854	10	20	CDCD	
COC[C@@H](O)CCNCc1ccc(N2CCOCC2)cc1	231607742	HWQFNUORJHOCKX-INIZCTEOSA-N	294.395	1.010	10	20	CDCD	
COc1cccc(CN2CC[S@](=O)C[C@H](C)C2)c1O	277402711	HXGJTUMUQORACH-WYRIXSBYSA-N	283.393	1.601	10	20	CDCD	
CC1CCN(c2ccc(CNC(=O)C(=O)O)cc2)CC1	274209714	WGRDUCMXYJWDMN-UHFFFAOYSA-N	276.336	1.624	10	20	CDCD	
COc1ccc(CNC(=O)[C@@H]2C[C@]23CCOC3)c(O)c1	373665667	IUNBLWVWBJNQAL-WFASDCNBSA-N	277.320	1.444	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@H]1C1CCNCC1	377816553	IJRSWUNPJWOGNB-LSDHHAIUSA-N	288.391	1.986	10	20	CDCD	
COC(=O)c1cnc(S[C@H](C)C(=O)N(C)C)s1	295291123	LKTKUANXCJKIEH-ZCFIWIBFSA-N	274.367	1.499	10	20	CDCD	
CC[C@@H](CNCc1ccc([N+](=O)[O-])c(OC)c1O)OC	290872610	KHRJNIHQSUZERH-JTQLQIEISA-N	284.312	1.824	10	20	CDCD	
CN1CCC[C@H]1C(=O)NCc1ccc(N2CCCC2)cc1	299548668	QEDDYZLZRDDOSF-INIZCTEOSA-N	287.407	1.997	10	20	CDCD	
CC[C@H](CNS(C)(=O)=O)NCc1cc(C)ccc1O	295041391	MQMPANMLAXTFBL-GFCCVEGCSA-N	286.397	1.118	10	20	CDCD	
C[C@@H](NCc1ccc(N2CCSCC2)cc1)C1CNC1	817888054	IXWAIJKTGBQMSN-CYBMUJFWSA-N	291.464	1.937	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CC1(O)CCC1	828885044	RVJNJAFEGDJTHF-SNVBAGLBSA-N	279.336	1.450	10	20	CDCD	
CN(C)c1ccc(CN[C@@H]2CC[C@H](C(N)=O)C2)cc1F	825280216	YWFMRRHLFRNHIC-NWDGAFQWSA-N	279.359	1.635	10	20	CDCD	
COc1ccc(O)c(CN[C@@H]2CCC[C@@H]2C(=O)O)c1	904268834	KKWGLDIMLUHVBX-NWDGAFQWSA-N	265.309	1.744	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCN[C@@H]2C)c1	828667210	OCQUQBNZVACNQN-JFGNBEQYSA-N	278.352	1.576	10	20	CDCD	
CC(=O)NCCN(C)C(=O)NCc1ccc(N(C)C)cc1	825602628	LLVBRQPCPYAIRI-UHFFFAOYSA-N	292.383	1.030	10	20	CDCD	
Cc1cnn(C)c1C(=O)NCc1ccc(N(C)C)cc1	839469182	JVZMCPBUYVSOAX-UHFFFAOYSA-N	272.352	1.725	10	20	CDCD	
CN(C)c1ccc([C@@H](N)CNC(=O)c2ccc[nH]2)cc1	832281950	WAPJAGVKLARZNC-ZDUSSCGKSA-N	272.352	1.511	10	20	CDCD	
CC[C@@H](N)C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1	831754055	UBMGSBVINUZHNE-IUODEOHRSA-N	291.395	1.375	10	20	CDCD	
CCn1nncc1CN(C)Cc1ccc(N(C)C)cc1	838786933	ONNZNMKFRNKFBI-UHFFFAOYSA-N	273.384	1.996	10	20	CDCD	
COC(=O)[C@H](C)N[C@H](C)c1ccc(N2CCOCC2)cc1	743472808	KHEQTYZTHMNKET-OLZOCXBDSA-N	292.379	1.735	10	20	CDCD	
C[C@H]1[C@@H](CO)CCCN1Cc1cc2c(cc1O)OCO2	840980441	ZXKXEIREFWYUJG-WDEREUQCSA-N	279.336	1.714	10	20	CDCD	
CCc1noc(C)c1C(=O)NCc1ccc(O)cc1O	910957187	LYTIFRFDNVGGLT-UHFFFAOYSA-N	276.292	1.887	10	20	CDCD	
CN1C[C@H](N(C)Cc2ccc(N(C)C)cc2)CCC1=O	846921506	UVALOWGZZYSLJD-OAHLLOKOSA-N	275.396	1.805	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN[C@@H]1CC(=O)N(C)C1	840933619	QVHDPKOMDAHMIB-CYBMUJFWSA-N	261.369	1.381	10	20	CDCD	
COc1cccc([C@H](C)NCCN2CCOC[C@@H]2C)c1O	846143734	GKKKDPTZQCQVCE-STQMWFEESA-N	294.395	1.772	10	20	CDCD	
COc1cccc([C@H](C)NCc2nnc3n2CCC3)c1O	846138735	NGERTKCVSBEKRX-JTQLQIEISA-N	288.351	1.789	10	20	CDCD	
CC(C)(C)[C@H](NC(=O)NCCc1ccc(N)cc1)C(N)=O	841958966	JACVXRQMOWJIHA-GFCCVEGCSA-N	292.383	1.011	10	20	CDCD	
COc1ccc(N2CCC(N[C@H](CO)CCF)CC2)cc1	846098168	NWWKHVFQKFMAFQ-AWEZNQCLSA-N	296.386	1.974	10	20	CDCD	
C[C@@H]1CN(C(=O)c2cc(O)cs2)Cc2c[nH]nc21	913584368	DNBCPSGJPPBMKB-SSDOTTSWSA-N	263.322	1.936	10	20	CDCD	
CCc1cccc(CN2CC(=O)N(CCOC)C2)c1O	848909015	IKPKUWUNBCFWNZ-UHFFFAOYSA-N	278.352	1.203	10	20	CDCD	
CCc1cc(=O)n(CC(=O)C(C)=O)nc1-c1ccccc1	842602194	LMYSZRJKAGROPB-UHFFFAOYSA-N	284.315	1.631	10	20	CDCD	
CNC(=O)NC1CCN(Cc2cc(F)ccc2O)CC1	840974727	NPMZVEACULBYQV-UHFFFAOYSA-N	281.331	1.425	10	20	CDCD	
Cc1cccc(CN[C@H](Cc2ccncc2)C(=O)O)c1O	848639360	IQGCAKCFHAFJKH-CQSZACIVSA-N	286.331	1.881	10	20	CDCD	
CCN1CCO[C@H](C(=O)NCc2cc(Cl)ccc2O)C1	846476794	QOLIQUBZIWRCFA-ZDUSSCGKSA-N	298.770	1.383	10	20	CDCD	
CC(C)[C@@H](O)COC(=O)/C=C\c1ccc(O)c(O)c1	849745817	ZNDNBFVUVHOHMA-AGLBCWCQSA-N	266.293	1.671	10	20	CDCD	
Cc1ccc(O)c(CN[C@@H]2CCc3c(nnn3C)C2)c1	848565645	KNJCGKOAFCVFDL-GFCCVEGCSA-N	272.352	1.476	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](C)C(=O)O)c1	841768544	NJNVIBFOYLIXCD-HTQZYQBOSA-N	267.281	1.299	10	20	CDCD	
CC[C@@H](NCc1nc(O)cc(CN)n1)c1ccccc1O	854233348	XYRUOQGTAYPHFM-GFCCVEGCSA-N	288.351	1.587	10	20	CDCD	
COC(=O)c1cc(/C=C2/SC(=S)N(C)C2=O)c[nH]1	753137908	LAIHDURBZUXSME-XBXARRHUSA-N	282.346	1.632	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)C(=O)NCC1CC1	935948534	OOHUTCXSUYXZKE-UHFFFAOYSA-N	297.351	1.020	10	20	CDCD	
CO[C@H](C)c1noc(COC(=O)c2cccc(O)c2O)n1	758572318	KGPNTWRLGIMHTQ-SSDOTTSWSA-N	294.263	1.545	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@@H](C)[C@@H]2CCC(=O)N2)c1	862755251	PSRDHGTYHOFCAB-JQWIXIFHSA-N	276.336	1.232	10	20	CDCD	
O=C(NCc1ccccc1O)c1cccnc1-n1cccn1	769362481	ZDWWLMSATKZZFZ-UHFFFAOYSA-N	294.314	1.903	10	20	CDCD	
CN1CC(=O)N(Cc2ccc(N3CC=CC3)cc2)C1=O	761364605	UUCQYYAFPFCHHN-UHFFFAOYSA-N	271.320	1.457	10	20	CDCD	
OCC[C@H](NCc1ccc2c(c1)CCO2)C1CCOCC1	763466641	KWYDAPYLDULVFE-INIZCTEOSA-N	291.391	1.889	10	20	CDCD	
CCOc1ccc([C@@H]2NC(=O)[C@@H]3CSCCN32)c(O)c1	765518354	BEUZOGYQXZYULM-WCQYABFASA-N	294.376	1.337	10	20	CDCD	
CN(C)c1cc(F)c(CN(C)C2CC(O)C2)cc1F	862325703	FKNPDWPFLQHAOB-UHFFFAOYSA-N	270.323	1.986	10	20	CDCD	
CCN(C)c1ccc([C@H](C)N[C@@H]2COC[C@@H]2O)cc1	866418808	USIDXHGKFDBKAN-GLQYFDAESA-N	264.369	1.553	10	20	CDCD	
C[C@@H](c1ccc(N(C)C)cc1)N1C(=O)[C@@H](C)NC1=S	773899571	QGKGHZVOEWMJIN-ZJUUUORDSA-N	277.393	1.919	10	20	CDCD	
Cc1ccc(CNCCCCS(C)(=O)=O)c(O)c1	877598508	OHALJYGAXHXKGZ-UHFFFAOYSA-N	271.382	1.615	10	20	CDCD	
CC(C)[C@H](O)CNCc1ccc(N2CCC(O)CC2)cc1	877037713	WNABPUADVCAHNI-QGZVFWFLSA-N	292.423	1.754	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)c1cc(F)ccc1O	778915977	ZLVRFNDEPDCBGQ-UHFFFAOYSA-N	277.251	1.873	10	20	CDCD	
C[C@@H](NC(=O)N[C@@H](CO)C1CC1)c1ccc(N(C)C)cc1	773621617	CVBKSMCZTVWXAU-ABAIWWIYSA-N	291.395	1.884	10	20	CDCD	
CC(C)[C@@H]1CN(C(=O)/C=C\c2ccc(O)c(O)c2)CCO1	779547494	VKXINQXZSLHHBF-VOKGJARPSA-N	291.347	1.994	10	20	CDCD	
CCO[C@H]1COCC[C@@H]1NCc1cc(C)cc(OC)c1O	894461578	IEYXKZIJCXDXJI-ZFWWWQNUSA-N	295.379	1.993	10	20	CDCD	
C[C@H]1CN(Cc2ccc(N(C)C)c(F)c2)C[C@@H](CO)O1	787417110	IXWOVEGNEAZELJ-AAEUAGOBSA-N	282.359	1.473	10	20	CDCD	
CC1(C)CNC(=O)[C@@H]1NCc1cc(Cl)ccc1O	895319483	YAPHHZORXHPTDH-NSHDSACASA-N	268.744	1.660	10	20	CDCD	
C[C@@H]1CN(Cc2ccc(Br)cc2O)C[C@@H]1O	897679399	KALAEJQTFKQTFK-PELKAZGASA-N	286.169	1.967	10	20	CDCD	
Cc1cccc(O)c1CNCCCN1CCCN(C)CC1	894376279	RHZAGEHWBZEHDR-UHFFFAOYSA-N	291.439	1.818	10	20	CDCD	
O=C(NCc1ccc(O)cc1)c1c(F)ccc(O)c1O	790068869	GZCOUMBYTJBBRB-UHFFFAOYSA-N	277.251	1.873	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)CC[C@H]1CCNC1	134524644	POLNXYLAJIXXLX-LBPRGKRZSA-N	262.353	1.740	10	20	CDCD	
COc1ccc(O)c([C@H](C)NCCCOCCO)c1	186513999	IOXCPLNUZXDEBD-NSHDSACASA-N	269.341	1.450	10	20	CDCD	
C[C@H]1CN(C(=O)CN(C)Cc2ccccc2O)CCO1	171927069	UYCRSPWRGKOWLR-LBPRGKRZSA-N	278.352	1.071	10	20	CDCD	
CC[C@]1(C)COCCN1C(=O)Cc1ccc(N)cc1	707298909	ACNLJMLNYJLQKB-OAHLLOKOSA-N	262.353	1.839	10	20	CDCD	
COc1ccc(CNC[C@H]2CCO[C@H]2C(=O)O)cc1C	716178074	YTPDAETWHOWICI-TZMCWYRMSA-N	279.336	1.583	10	20	CDCD	
COc1ccc(O)c([C@H](C)Nc2cc(=O)n(C)c(O)n2)c1	1336513254	IGFIIEGJAUCJGN-QMMMGPOBSA-N	291.307	1.373	10	20	CDCD	
O=C(NCc1ccc(N2CCC(O)CC2)cc1)[C@H]1C[C@@H]1F	1347334636	OOGHFBATPKDGAQ-GJZGRUSLSA-N	292.354	1.622	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CC(CC(F)F)C1	819731462	PUTIGYMGDHXWDS-UHFFFAOYSA-N	257.236	1.825	10	20	CDCD	
Cc1noc(COc2ccc(N(C)C)c(C(=O)O)c2)n1	1600815301	VOMZCKAOBROJTB-UHFFFAOYSA-N	277.280	1.721	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1C[C@H](C)O[C@H](C(=O)O)C1	1607667911	XKCKLNCFGNNXIL-WFASDCNBSA-N	292.379	1.735	10	20	CDCD	
CCn1ncnc1CN[C@@H](C)c1cc(C(=O)O)ccc1O	1605945469	KZRJRQJALOTDLH-VIFPVBQESA-N	290.323	1.553	10	20	CDCD	
C[C@@H](N[C@H]1C[C@@H](CO)C1)c1cc(C(=O)O)ccc1O	1593359593	JVTMNFZEJOKLAW-KKZNHRDASA-N	265.309	1.512	10	20	CDCD	
CCOc1cccc(CN[C@@H](C)C(=O)NC(C)C)c1O	228941418	MHHBALQZEHLYDG-NSHDSACASA-N	280.368	1.794	10	20	CDCD	
C[C@H]1OCC[C@H]1NCc1ccc(N2CCOCC2)cc1	120432380	UDOKYSWNIAUGOY-CZUORRHYSA-N	276.380	1.790	10	20	CDCD	
CCNS(=O)(=O)CCN[C@@H](C)c1ccc(F)cc1O	230666865	ACTNFSFRODDUTA-VIFPVBQESA-N	290.360	1.121	10	20	CDCD	
CCc1cccc(CN[C@H](C)CN2CCOCC2)c1O	709510072	QRZPRZMYYFLNPC-CYBMUJFWSA-N	278.396	1.765	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC[C@@H](C)S(C)(=O)=O)c1	697611484	CASPCDSQVZZBAX-NXEZZACHSA-N	287.381	1.485	10	20	CDCD	
CN(C)c1ccc(CN[C@H]2CCNC(=O)CC2)cc1	396728727	NVKGUVKGLLFMLI-CYBMUJFWSA-N	261.369	1.511	10	20	CDCD	
CN1CCN(c2ccc(CNCCCCN)cc2)CC1	107797498	NQBBHQKUEKOQPX-UHFFFAOYSA-N	276.428	1.267	10	20	CDCD	
Cc1n[nH]c(C)c1CC(=O)NCc1ccc(N(C)C)cc1	21920546	ROKHHNRZFFYPKU-UHFFFAOYSA-N	286.379	1.951	10	20	CDCD	
COCCCC(=O)N1CCOc2cc(N(C)C)ccc21	173186318	OHHDPWSLWHICGS-UHFFFAOYSA-N	278.352	1.905	10	20	CDCD	
COc1cccc(CN[C@H](C)[C@@H](CO)SC)c1O	152437180	ALSVUEXSBVMSPG-BXKDBHETSA-N	271.382	1.603	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)c1ccc2[nH]cnc2c1	120415076	NWBVRTQTGPTYHP-UHFFFAOYSA-N	297.314	1.947	10	20	CDCD	
CCCS(=O)(=O)CC(=O)Nc1ccc(N)cc1	35320496	GWQGTWTXRZSQHL-UHFFFAOYSA-N	256.327	1.032	10	20	CDCD	
c1ccn2c(CCNCc3ccc4c(c3)CCO4)nnc2c1	315477781	PNKAPESABICQLC-UHFFFAOYSA-N	294.358	1.997	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cnns1	194008556	KDCGDKSRFDKKDB-ZETCQYMHSA-N	294.336	1.702	10	20	CDCD	
CC(C)NC(=O)CCN[C@@H]1CCc2cccc(O)c21	295879783	HNZJPCXYVCCWRU-GFCCVEGCSA-N	262.353	1.884	10	20	CDCD	
CN(C)c1ccc(CNC(=O)Cc2ccc(N)cc2)cn1	269226896	FKBGHNMLNCIYJC-UHFFFAOYSA-N	284.363	1.589	10	20	CDCD	
COc1ccc(O)c(CN2C[C@@H](C)O[C@]3(CCOC3)C2)c1	280294785	OLOZOUYXZVGMMY-MLGOLLRUSA-N	293.363	1.781	10	20	CDCD	
C[C@@H](CNC(=O)NCc1ccccc1O)CN1CCCC1	299498714	LEYYZVKBAWFPHO-ZDUSSCGKSA-N	291.395	1.923	10	20	CDCD	
CC[C@H](C)N(CC(=O)OC)C(=O)c1ccc(C)c(O)c1O	297032401	VDOMVIDDQPWKOL-JTQLQIEISA-N	295.335	1.820	10	20	CDCD	
Cc1cccc(CN2CC[C@@H](N3CCOCC3)[C@H]2C)c1O	291682858	XLBAUNLYTAJSBD-GDBMZVCRSA-N	290.407	1.996	10	20	CDCD	
Cc1ccc(C(=O)NC[C@@H]2CCN(C)C(=O)C2)c(O)c1O	819623125	ZYDFTWJOFOQTII-SNVBAGLBSA-N	292.335	1.004	10	20	CDCD	
OCCN1CCN(Cc2ccc3ccccc3c2O)CC1	816478191	XFNWPIWGPWXVHB-UHFFFAOYSA-N	286.375	1.655	10	20	CDCD	
CCOc1ccc(CNCc2cncn2C)c(O)c1	810160034	RHQCZVNOTRQHFX-UHFFFAOYSA-N	261.325	1.814	10	20	CDCD	
CC[C@@H](NCc1ccc(N2CCOCC2)cc1)C(=O)O	818317473	UKYWRPPYMOJLJZ-CQSZACIVSA-N	278.352	1.476	10	20	CDCD	
COc1cccc(O)c1CN1CCC[C@H](O)CC1	816667757	VXRXEFUOLXOOAF-NSHDSACASA-N	251.326	1.748	10	20	CDCD	
COC(=O)[C@H]1C[C@H](NCc2cc(F)ccc2O)C1	827812421	NBBUZQNSELQCGD-JLIMDTESSA-N	253.273	1.573	10	20	CDCD	
COc1cc(O)ccc1NS(=O)(=O)N1CCCC1	901703891	KTVMUFDWQXRMGD-UHFFFAOYSA-N	272.326	1.153	10	20	CDCD	
COC(=O)[C@H](NC(=O)c1cc(O)cs1)C(C)C	735518589	VLAWUTWXQBJKGP-SECBINFHSA-N	257.311	1.381	10	20	CDCD	
COc1ncc(/C=C/C(=O)N(C)c2ccccn2)cn1	492654817	UAERGDAEOUQPFA-VOTSOKGWSA-N	270.292	1.556	10	20	CDCD	
C[C@@]1(C(=O)NCc2c(O)ccc3c2CCCC3)CCNC1	830597470	KAQUZPHFDDCZTP-QGZVFWFLSA-N	288.391	1.887	10	20	CDCD	
COC/C(C)=C/C(=O)N(CC(=O)O)Cc1ccccc1O	911493201	LENKVTYVWYOITA-YRNVUSSQSA-N	293.319	1.398	10	20	CDCD	
COCCOC[C@@H](C)NC(=O)c1cc(O)cs1	743677387	BSGXFRZYWYCMKK-MRVPVSSYSA-N	259.327	1.235	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CCCO[C@@H](CN)C2)c1O	842479432	SCCMKWTYZNCVOX-ZDUSSCGKSA-N	296.342	1.284	10	20	CDCD	
O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1CSCN1	843489578	HVABKECEPRPDLJ-ZDUSSCGKSA-N	292.404	1.550	10	20	CDCD	
C[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(N)cc2)C1	841010616	GZOWOOADACNTLW-ZWNOBZJWSA-N	275.352	1.902	10	20	CDCD	
CCOC(=O)CN(C)C(=O)CN(C)c1ccc(OC)cc1	844353760	ZKPJQRLWKUCOGW-UHFFFAOYSA-N	294.351	1.153	10	20	CDCD	
Nc1ccc(CCNC(=O)N2CCC[C@@H](CO)CC2)cc1	841955688	JXAFVGYCXSVREM-CQSZACIVSA-N	291.395	1.615	10	20	CDCD	
C[C@@H]1[C@H](N(C)C)CCN1C(=O)c1cc(O)cs1	854649842	HKWSWQCSWKZNKN-PSASIEDQSA-N	254.355	1.618	10	20	CDCD	
C[C@H]1COC[C@H]1NCc1ccc(N2CCN(C)CC2)cc1	922643365	XUXJQDJOZAKSIT-WMLDXEAASA-N	289.423	1.563	10	20	CDCD	
C[C@@H](NC[C@@H](O)c1cnn(C)c1)c1cc(F)ccc1O	756616004	YILIXKAAEMIXSN-YMTOWFKASA-N	279.315	1.649	10	20	CDCD	
Oc1cc2c(cc1CN1CC[C@@H]3C[C@@H]3C1)[C@@H](O)CO2	853577716	VENGJGFXRITEJC-RULNRJAQSA-N	261.321	1.660	10	20	CDCD	
C[C@@H](CC(N)=O)N[C@@H](C)c1cc(Cl)ccc1O	756660213	LARWDZCIAHZMJK-YUMQZZPRSA-N	256.733	1.960	10	20	CDCD	
C[C@H]1C[C@@H](NCc2ccc(N3CCC(O)CC3)cc2)CO1	850406933	ZLXLQPWSSBVSGD-DZGCQCFKSA-N	290.407	1.915	10	20	CDCD	
C[C@@H]1C[C@H](NCCS(C)(=O)=O)c2c(O)ccc(F)c21	756505665	VDKZSKKQMFTGRT-SCZZXKLOSA-N	287.356	1.714	10	20	CDCD	
C[C@@H](N[C@H](CO)c1cnn(C)c1)c1cc(F)cc(F)c1O	756777167	WJXCEEUBAQBOFZ-AMIZOPFISA-N	297.305	1.788	10	20	CDCD	
C[C@@H](NC(=O)NCCN(C)C1CC1)c1ccccc1O	868365556	NTPNLLNSBPYFRR-LLVKDONJSA-N	277.368	1.847	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCC[C@H](CCO)C1	765227536	BLNVDYDDVXSTGG-SECBINFHSA-N	255.339	1.688	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCC[C@@H]1[C@@H](O)C(F)(F)F	760178886	YAPMSCNGZLZZQN-VXNVDRBHSA-N	295.282	1.982	10	20	CDCD	
CN(C(=O)CN1CCSC1=O)c1ccc(N)cc1	877080850	PBQCBHMUQUKABJ-UHFFFAOYSA-N	265.338	1.400	10	20	CDCD	
C[C@@H](N[C@H](C)c1ccccc1O)C(=O)NC[C@@H]1CCCO1	879649790	USTVUZOWVOLHDV-UPJWGTAASA-N	292.379	1.727	10	20	CDCD	
COc1ccc(CNCCF)cc1Cn1cccn1	877495309	BLVUFHHRTTUYOG-UHFFFAOYSA-N	263.316	1.999	10	20	CDCD	
O=C1CN(Cc2cc(Cl)cc(F)c2O)CCN1	775643475	YTAKBQBBMMJOHE-UHFFFAOYSA-N	258.680	1.117	10	20	CDCD	
CCS(=O)(=O)N[C@@H](C)c1ccc(N(C)C)cc1	773084724	SIXODSSSYOTQOW-JTQLQIEISA-N	256.371	1.753	10	20	CDCD	
C[C@H](NC(=O)N[C@H]1CCOC1)c1ccc(N(C)C)cc1	773414043	LGTNSYVMJUWRST-AAEUAGOBSA-N	277.368	1.902	10	20	CDCD	
Oc1ccc(Cl)c(F)c1CN[C@@H]1C[C@H](O)[C@H](O)C1	886253756	IGFCQSMMEYUTRH-DFYJTEQTSA-N	275.707	1.159	10	20	CDCD	
C[C@@H](Cn1cccn1)NC(=O)/C=C\c1ccc(O)c(O)c1	779478455	HCQPDWXWJLCCNY-QZPNVGJNSA-N	287.319	1.512	10	20	CDCD	
CC[C@H](O)CCNC(=O)NCc1ccc(N)cc1	1120592520	ZRPQTXOCRSNQOG-LBPRGKRZSA-N	251.330	1.229	10	20	CDCD	
CNCc1cn(Cc2cc(F)cc(C(C)=O)c2O)nn1	880995023	IOZNVYHZSHNMPC-UHFFFAOYSA-N	278.287	1.093	10	20	CDCD	
COc1cc(C)cc(CN[C@H]2C[C@@H](CO)C2)c1O	895418834	QTWRCTYLAIHOMK-KLPPZKSPSA-N	251.326	1.570	10	20	CDCD	
OC[C@H](NCc1ccc2c(c1)CCO2)C1CCOCC1	782387026	QOJVKPSCCGNTFK-HNNXBMFYSA-N	277.364	1.499	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)c1c[nH]nc1[N+](=O)[O-]	788283962	QTXWTGBPJMUSIJ-UHFFFAOYSA-N	276.252	1.296	10	20	CDCD	
CC1(C)CNC(=O)[C@H]1NCc1ccc(N2CCCC2)cc1	895319925	ZLOFMIZESSCOPA-OAHLLOKOSA-N	287.407	1.901	10	20	CDCD	
CCc1cnc(CNC(=O)/C=C\c2ccc(O)c(O)c2)o1	793834006	JITRROLUHCGFES-XQRVVYSFSA-N	288.303	1.978	10	20	CDCD	
C[C@@H](NCc1c(O)ccc(Cl)c1F)C(=O)N(C)C	790974932	WPOOPPDRAORFJG-SSDOTTSWSA-N	274.723	1.751	10	20	CDCD	
O=C(CCc1cnccn1)NCc1ccccc1O	793681813	PITYSWICIMTUDH-UHFFFAOYSA-N	257.293	1.431	10	20	CDCD	
Cc1ccc([C@@H](C)N[C@H](C)C(=O)N(C)C)c(O)c1	36793764	DWEHATMDEKGMDI-GHMZBOCLSA-N	250.342	1.828	10	20	CDCD	
Nc1ccc(Cc2noc(CO[C@@H]3CCOC3)n2)cc1	1327005579	RVJSDRRCAUIIAN-GFCCVEGCSA-N	275.308	1.548	10	20	CDCD	
C[C@@H]1C[C@@H](C)N(C(=O)C(=O)NCCc2ccc(N)cc2)C1	1325381854	ZQGQTDOIJHYISV-VXGBXAGGSA-N	289.379	1.184	10	20	CDCD	
O=C(O)CCCNC(=O)NCc1c(O)cccc1F	1341368309	LEJOMRAIJMKGSV-UHFFFAOYSA-N	270.260	1.195	10	20	CDCD	
CCOC(=O)[C@H](NC(=O)Cc1ccc(N)cc1)C1CC1	1261494169	HMRDBIQLYJVJRL-CQSZACIVSA-N	276.336	1.269	10	20	CDCD	
CCOCC[C@H](NCc1ccc(OC)c(C)c1)C(=O)O	1350669050	XDHKTPTUGWPZML-ZDUSSCGKSA-N	281.352	1.973	10	20	CDCD	
O=C(O)C[C@@H]1CC[C@H](NC(=O)Cc2ccc(O)c(O)c2)C1	1602109630	DNEJMNXNQPPBTN-KOLCDFICSA-N	293.319	1.400	10	20	CDCD	
O=C(O)Cc1cccc(NC(=O)c2cc(O)cs2)n1	1602140241	ZDSBEIQKFBJNRR-UHFFFAOYSA-N	278.289	1.728	10	20	CDCD	
C[C@H](NC(=O)NCC(C)(C)C(=O)O)c1ccccc1O	1599894536	YITFIPJKOSXYJA-VIFPVBQESA-N	280.324	1.863	10	20	CDCD	
CN(C)c1ccc2c(c1)CN(C[C@H](O)CC(=O)O)CCC2	1777041203	LRHIMTOGKNPITK-OAHLLOKOSA-N	292.379	1.336	10	20	CDCD	
CCc1nccn1CC(=O)NCc1ccc(N(C)C)cc1	158629531	XWTVNAWZVNUBGI-UHFFFAOYSA-N	286.379	1.828	10	20	CDCD	
C[C@H]1OCC[C@@]1(O)CNCc1ccc2c(c1)CCCO2	922074084	RGICJZZEPLVBDY-MLGOLLRUSA-N	277.364	1.641	10	20	CDCD	
CC(C)[C@H](CN(C)C)NC(=O)c1cccc(O)c1O	126306946	BILNMOFJUKGVAF-NSHDSACASA-N	266.341	1.414	10	20	CDCD	
CCOC[C@@H]1CN(Cc2cc(F)cc(F)c2O)CCO1	708386811	WZDFGWHUJPELRR-LBPRGKRZSA-N	287.306	1.908	10	20	CDCD	
Cn1cc(CNCc2cc(F)cc(F)c2O)cn1	708534860	FQTKAMATSWYUNO-UHFFFAOYSA-N	253.252	1.694	10	20	CDCD	
Oc1c(F)cc(F)cc1CNC[C@@H]1CC[C@@H](O)C1	708548243	DDIKVUXGPULJKR-LDYMZIIASA-N	257.280	1.921	10	20	CDCD	
Cc1ccc(O)c(CNC[C@H]2CCCCS2(=O)=O)c1	694515210	NDVQUJFISVKZSX-CYBMUJFWSA-N	283.393	1.758	10	20	CDCD	
CCCCN(CC(N)=O)Cc1cc(F)cc(C(C)=O)c1O	50145679	FUYZBQQIKSYVLQ-UHFFFAOYSA-N	296.342	1.821	10	20	CDCD	
COCC[C@H](C)NC(=O)N(C)Cc1ccccc1O	102024014	BSLJZOMRBXNOIN-NSHDSACASA-N	266.341	1.959	10	20	CDCD	
COc1cccc(CNCCC[S@@](C)=O)c1O	116919197	NNOUUXYZRPOHPJ-KRWDZBQOSA-N	257.355	1.259	10	20	CDCD	
COc1ccc(O)c(CNC(=O)C[C@H]2CCCCO2)c1	132843039	CFESKSJGWAYSRG-CYBMUJFWSA-N	279.336	1.976	10	20	CDCD	
CCOc1cccc(CN[C@H]2C(=O)NCC[C@@H]2C)c1O	193693967	IVGFXLPJLQSBPU-GXFFZTMASA-N	278.352	1.405	10	20	CDCD	
COc1ccc(N(C)Cc2nnc(C)n2C)c(OC)c1	131940445	LBAKSTZLWGCQCF-UHFFFAOYSA-N	276.340	1.777	10	20	CDCD	
CCOC(=O)C1(C(=O)NCc2cccc(OC)c2O)CC1	269192919	OUBRDAKEQQJYRS-UHFFFAOYSA-N	293.319	1.360	10	20	CDCD	
CCN(C)c1ccc([C@@H](C)NC[C@@H](O)COC)cc1	268895041	KKCACAYBZCHPGX-IUODEOHRSA-N	266.385	1.801	10	20	CDCD	
COc1ccc(O)c(CN2CCO[C@]3(CCO[C@H]3C)C2)c1	279707330	SAORYAXVCDDRJQ-BLLLJJGKSA-N	293.363	1.781	10	20	CDCD	
C[C@H]1CCCN(C(=O)C(=O)NCc2ccccc2O)C1	278426861	NPXMCMYNQUFVKY-NSHDSACASA-N	276.336	1.267	10	20	CDCD	
CS[C@@H](CO)[C@@H](C)NC(=O)c1ccc(C)c(O)c1O	272739112	LRUSQWNQMLMNMG-SCZZXKLOSA-N	285.365	1.248	10	20	CDCD	
Cc1ccc(O)c(CN2CCn3nc(C)nc3C2)c1	271178253	KGACBANRKAWTOL-UHFFFAOYSA-N	258.325	1.616	10	20	CDCD	
COC(=O)c1cnc(SCCn2cncn2)s1	295267189	JEVXTDHMUNLVHE-UHFFFAOYSA-N	270.339	1.314	10	20	CDCD	
Cc1ccc(C(=O)OCCN2CCO[C@@H](C)C2)c(O)c1O	800158319	PQCJDGILJOBABM-NSHDSACASA-N	295.335	1.284	10	20	CDCD	
Cc1cc(CN2CCCN(C=O)CC2)ccc1N(C)C	298163438	SRUHQGULKIJBDL-UHFFFAOYSA-N	275.396	1.725	10	20	CDCD	
Cc1cc(C(=O)O[C@H]2CNOC2)c(C)n1-c1ccccn1	808091381	JTBSFELTNJJEPH-LBPRGKRZSA-N	287.319	1.549	10	20	CDCD	
COCCN(C)CCCN[C@@H]1CCc2cccc(O)c21	295959925	LYTBPOHNUDVQEQ-CQSZACIVSA-N	278.396	1.937	10	20	CDCD	
CC(=O)C(=O)COC(=O)c1ccc(Cl)cc1F	808492002	WAVHGDDUMMXKMK-UHFFFAOYSA-N	258.632	1.794	10	20	CDCD	
CCOc1ccc(O)c(CN(C)Cc2cn(C)nn2)c1	827305498	TWGCEBYSIACPNM-UHFFFAOYSA-N	276.340	1.551	10	20	CDCD	
Cc1cccc(/C=C2\SC(=S)N(CC(N)=O)C2=O)c1	727176320	JPAKIJMAZITYGW-POHAHGRESA-N	292.385	1.682	10	20	CDCD	
O=C(/C=C\C1CCOCC1)NCc1ccccc1O	735858164	XAMPJEWPALWUKE-WAYWQWQTSA-N	261.321	1.991	10	20	CDCD	
C[C@@H](CC(N)=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	903448536	PKJHGGXHQCYKNP-SWLSCSKDSA-N	292.427	1.209	10	20	CDCD	
O=C(O)[C@@H]1CN(Cc2ccccc2O)C[C@H]1C1CC1	901901741	AZEISFPRJDIDSZ-QWHCGFSZSA-N	261.321	1.935	10	20	CDCD	
CCOCc1cc(CNC[C@](C)(O)COC)ccc1OC	732672541	REDVGIBMKWYGDS-INIZCTEOSA-N	297.395	1.719	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NC[C@H](O)C2CCC2)cc1	836243462	XXTARXAFJBSOTO-HNNXBMFYSA-N	291.395	1.713	10	20	CDCD	
COc1cc(O)c(CN2CCC[C@@H](C(=O)O)C2)cc1OC	833728433	DJAWFVBXPFDRJZ-SNVBAGLBSA-N	295.335	1.706	10	20	CDCD	
CCOC(=O)[C@@H](C)OC(=O)c1ccc(C)c(O)c1O	733475922	HRXMNOWDMXBZBS-MRVPVSSYSA-N	268.265	1.515	10	20	CDCD	
CCOC1CN(C(=O)NCc2ccc(N(C)C)cc2C)C1	838479707	SQQGJWLJZYELQU-UHFFFAOYSA-N	291.395	1.991	10	20	CDCD	
CCC(=O)N[C@H](C)C(=O)NCc1ccc(N(C)C)c(F)c1	746864747	WRTFYYPZKCWGOL-SNVBAGLBSA-N	295.358	1.423	10	20	CDCD	
CC[C@@H]1CN(C)CCCN1C(=O)c1ccc(C)c(O)c1O	846989648	UCXQBKHUOLFQJE-GFCCVEGCSA-N	292.379	1.963	10	20	CDCD	
CCc1cccc(CN(CCOC)[C@H](C)C(N)=O)c1O	848884873	HLBHGBKMAGZYMT-LLVKDONJSA-N	280.368	1.277	10	20	CDCD	
N=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCC1	848993550	IUBIISJEEZAVNE-UHFFFAOYSA-N	292.358	1.392	10	20	CDCD	
CCOc1cccc(CN[C@@H](CO)[C@@H]2CCCOC2)c1O	840962919	OCBPDFGRTGUZED-KGLIPLIRSA-N	295.379	1.668	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCN(c2ncc[nH]2)CC1	848375019	KYEMHDWEKDDALF-UHFFFAOYSA-N	278.337	1.139	10	20	CDCD	
COCC[C@H](CO)N[C@@H](C)c1cccc(OC)c1O	846167946	PHLVZUCJTMLWSQ-WDEREUQCSA-N	269.341	1.449	10	20	CDCD	
Oc1ccc(Cl)c(F)c1CNC[C@H]1CNCCCO1	841087270	SQDJQDSXWIXOQL-SECBINFHSA-N	288.750	1.653	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)NCCNC)cc1F	841798685	LNFQPYXFJHBKHF-UHFFFAOYSA-N	296.390	1.691	10	20	CDCD	
C[C@H](NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)O	929044387	MJBZLWYSIMIRBL-UWVGGRQHSA-N	279.340	1.586	10	20	CDCD	
Nc1ccc(NC(=O)[C@]2(C(F)(F)F)CCNC2)cc1	852790420	PLNRSPUXJJJDGD-NSHDSACASA-N	273.258	1.749	10	20	CDCD	
COc1cccc(O)c1CNCCN(C)CC(F)F	858336699	PUQIBYKYCJFXOD-UHFFFAOYSA-N	274.311	1.687	10	20	CDCD	
CC(C)N(CCOCCO)C(=O)c1cc(O)cs1	854387585	CTRNRNUBSPZPBP-UHFFFAOYSA-N	273.354	1.313	10	20	CDCD	
Cn1cc(/C=C\C(=O)N2CCOc3cccc(F)c32)cn1	764272558	FAROCMZENJGPIR-WAYWQWQTSA-N	287.294	1.998	10	20	CDCD	
CS(=O)(=O)[C@H]1CCCN(C(=O)c2cc(O)cs2)C1	764486020	ZMTYOXODQAUCKR-VIFPVBQESA-N	289.378	1.103	10	20	CDCD	
CN(C)c1ccc(CNC(=O)C2=CCOCC2)cc1	769679887	RZLKKOVEISOFLR-UHFFFAOYSA-N	260.337	1.716	10	20	CDCD	
CN(Cc1nnn(CC(F)(F)F)n1)c1ccc(N)cc1	863558301	DNDJZQQQNXBMOJ-UHFFFAOYSA-N	286.261	1.454	10	20	CDCD	
CCOC(=O)[C@@H](C)NCc1ccc(OCC)cc1O	763269012	KZIBFSWORSOMCP-SNVBAGLBSA-N	267.325	1.832	10	20	CDCD	
COC(=O)C[C@@]1(NCc2cccc(OC)c2O)CCOC1	766470291	SUFRXDWDJSFKKD-HNNXBMFYSA-N	295.335	1.213	10	20	CDCD	
CSC[C@@](C)(O)CNC(=O)/C=C\c1ccc(O)c(O)c1	779483550	DYHVTDBAQZDPMY-SDQPKGBYSA-N	297.376	1.341	10	20	CDCD	
Cc1ccc(CN2CC(n3cc([C@H](C)O)nn3)C2)c(O)c1	877175667	LRAAXXOCWYGHGI-NSHDSACASA-N	288.351	1.402	10	20	CDCD	
CN(C(=O)C1(S(C)(=O)=O)CCCC1)c1ccc(N)cc1	877078413	OZIVBNYYMXLXIC-UHFFFAOYSA-N	296.392	1.589	10	20	CDCD	
CN(C(=O)[C@H]1C[C@H]2CC[C@H]1NC2)c1ccc(N)cc1	877075800	HYZKSGOFZBAGAO-DDTOSNHZSA-N	259.353	1.620	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1=COCC1	773739889	GKMFGZRCZWDPKG-SECBINFHSA-N	263.293	1.449	10	20	CDCD	
Cc1ccc(CN(C)[C@]2(CO)CCOC2)c(O)c1	877649233	QWJOPZCLDCSSAA-AWEZNQCLSA-N	251.326	1.284	10	20	CDCD	
O=C(OCC(=O)N1CCCCCC1)c1cccc(O)c1O	776284067	RSXNOIMRKDYOGG-UHFFFAOYSA-N	293.319	1.657	10	20	CDCD	
CN(C)c1ccc(CNC(=O)C23CC(CN2)C3)cc1F	1121915469	FNINNQPQXKVWCW-UHFFFAOYSA-N	277.343	1.260	10	20	CDCD	
C[C@H](O)CN1CCN(Cc2ccc(N)cc2)[C@@H](C)C1	1120269341	QEERJKOBGSJKPD-STQMWFEESA-N	263.385	1.156	10	20	CDCD	
OC[C@H]1C=C[C@@H](NCc2cc(F)cc(F)c2O)C1	883048572	REZGCPWIZBDDLW-GZMMTYOYSA-N	255.264	1.697	10	20	CDCD	
O=C(NCCc1nccs1)c1c(F)ccc(O)c1O	789966939	QXTDKHMFIDWYHM-UHFFFAOYSA-N	282.296	1.666	10	20	CDCD	
Cc1nc(C)c(C(=O)NCCc2ccc(N)cc2)o1	132695217	LMPAZFCCXSHCQU-UHFFFAOYSA-N	259.309	1.846	10	20	CDCD	
COc1ncccc1C(=O)COC(=O)c1cc(O)cs1	791885764	PHBBGIJVSQESKS-UHFFFAOYSA-N	293.300	1.897	10	20	CDCD	
CO[C@H](C)[C@H](NCc1ccc(N(C)C)cc1)C(=O)O	1333949947	XUHMYBBVOJVIBW-MFKMUULPSA-N	266.341	1.330	10	20	CDCD	
C[C@@H](CCCO)NCc1ccc(N2CCOCC2)cc1	94942644	URZOJFHVIBYDDD-AWEZNQCLSA-N	278.396	1.774	10	20	CDCD	
C[C@@H](COCC1CC1)NC(=O)NCc1ccc(N)cc1	1262586417	CZVOULDVHLGGDP-NSHDSACASA-N	277.368	1.883	10	20	CDCD	
CCCn1c(CO)nnc1Sc1nccs1	1351990910	RUUHLSLAPDJYED-UHFFFAOYSA-N	256.356	1.788	10	20	CDCD	
C[C@H](O)CCCN[C@@H](C)c1cccc(-c2nn[nH]n2)c1O	1589998327	RKGQXFXBNMKENH-UWVGGRQHSA-N	291.355	1.384	10	20	CDCD	
CC[C@H]1C(=O)NCCN1Cc1cc2c(cc1O)CCCC2	160158965	YHBTWTIXTWIUCN-HNNXBMFYSA-N	288.391	1.981	10	20	CDCD	
CC[C@H](O)COc1ccc(N2CCN(C(C)=O)CC2)cc1	156971652	RSZWTTSUDGMKCZ-HNNXBMFYSA-N	292.379	1.505	10	20	CDCD	
CN(C(=O)/C=C\c1cnn(C)c1)c1ccccc1C(=O)O	208022901	OJDOUDSGDSAFEB-FPLPWBNLSA-N	285.303	1.795	10	20	CDCD	
CCOC(=O)/C=C/c1ccc(O)c(O)c1	160191144	PBRODBDGFIZLNS-UHFFFAOYSA-N	208.213	1.674	10	20	CDCD	
C[C@@H](NC1CCS(=O)(=O)CC1)c1ccccc1O	36331694	ICFSTTJWXVXBOY-SNVBAGLBSA-N	269.366	1.620	10	20	CDCD	
Cc1c(C(=O)N[C@H](C)c2ccccc2O)cnn1C	827923268	NHFLDXXUYQAPFU-SECBINFHSA-N	259.309	1.925	10	20	CDCD	
C[C@H](CNCc1ccc(N2CCOCC2)cc1)N(C)C	38088108	NLPBNADXGPJAED-CQSZACIVSA-N	277.412	1.563	10	20	CDCD	
CC[C@H](NCC1(O)CCN(C)CC1)c1ccccc1O	274743534	ANUNRSVGJCPBFK-AWEZNQCLSA-N	278.396	1.890	10	20	CDCD	
CCOC[C@H]1CCN(Cc2cc3c(cc2O)OCO3)C1	177635221	LFZJPWZIYUSGPK-NSHDSACASA-N	279.336	1.979	10	20	CDCD	
COc1ccc(O)c(CNCCS(=O)(=O)C(C)C)c1	290273624	YECPYEBTLUSPDW-UHFFFAOYSA-N	287.381	1.314	10	20	CDCD	
C[C@H](CN1CCOCC1)N[C@H]1CCc2cccc(O)c21	295874852	HFVONIMKGIZYBP-OCCSQVGLSA-N	276.380	1.690	10	20	CDCD	
COC1(CO)CCN(C(=O)Nc2ccc(N)cc2)CC1	402916491	PGBIWJKQBFJOPY-UHFFFAOYSA-N	279.340	1.274	10	20	CDCD	
CCn1cc(CN[C@@H](C)c2cc(F)ccc2O)nn1	404475130	PZKNKKNXQQFWRO-VIFPVBQESA-N	264.304	1.994	10	20	CDCD	
Cc1cc(C)n(CCC(=O)NCc2ccc(N)cc2)n1	701129410	MGXBDNKJLMQHGY-UHFFFAOYSA-N	272.352	1.789	10	20	CDCD	
COc1cccc(CN2CCSC[C@H]2CC(=O)O)c1O	91133067	ONKBIUKWGBENJU-LLVKDONJSA-N	297.376	1.793	10	20	CDCD	
COc1cccc(CNC2CCC(N)CC2)c1O	51693160	OJHNPNQDMDICGN-UHFFFAOYSA-N	250.342	1.760	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2ccc(C)n2C)c1	114542751	LKTNHGOEZZBFAN-UHFFFAOYSA-N	274.320	1.978	10	20	CDCD	
O=C(/C=C/c1ccc(N2CCOCC2)cc1)NCC(F)F	174540896	OMCTUVZRBKAKQT-ZZXKWVIFSA-N	296.317	1.918	10	20	CDCD	
CC1(C)COCCN1CCNC(=O)Cc1ccc(N)cc1	178762768	QKHFWOUYNUPFCN-UHFFFAOYSA-N	291.395	1.038	10	20	CDCD	
CCOc1cccc(CN2CCN(C)C(=O)C2)c1O	127348545	ZTEGSWJVYVZXET-UHFFFAOYSA-N	264.325	1.065	10	20	CDCD	
CC1(C)[C@H](O)C[C@H]1NCc1ccc(N2CCOCC2)cc1	129426873	KPDXKJKVNJPITP-HZPDHXFCSA-N	290.407	1.772	10	20	CDCD	
Oc1ccc(Cl)cc1CNC[C@H]1COCCO1	38060473	IGUNAPOZYOSJEA-NSHDSACASA-N	257.717	1.551	10	20	CDCD	
Cc1cncc(C(=O)NCc2ccc(O)c(O)c2)c1	182510805	UNJUXPYZBRCPOA-UHFFFAOYSA-N	258.277	1.731	10	20	CDCD	
COC[C@](C)(CC(=O)OC)NCc1ccc2c(c1)CCO2	123550195	BYJAHZAARQAMIN-INIZCTEOSA-N	293.363	1.679	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)c2cc[nH]c(=O)c2)c1	132759472	YKAARGZGKIIYBY-VIFPVBQESA-N	288.303	1.580	10	20	CDCD	
CCCCN(C)S(=O)(=O)NCc1ccccc1O	269726930	QPLTWJKYNXMQOZ-UHFFFAOYSA-N	272.370	1.459	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN(CCO)C2CCC2)c1O	278392072	MXLAQXFMPCPRKI-UHFFFAOYSA-N	296.323	1.656	10	20	CDCD	
CCOc1ccc(O)c(CN2CCC(CO)CC2)c1	271040893	MNSNOCDGTSCZFG-UHFFFAOYSA-N	265.353	1.995	10	20	CDCD	
C[C@H]1CN(C[C@@H](C)O)CCN1Cc1cc(F)ccc1O	284278512	HKNBGAHIQMJJRL-NWDGAFQWSA-N	282.359	1.418	10	20	CDCD	
C[C@H](CO)N(C)CC(=O)N(C)Cc1ccc(N(C)C)cc1	284737766	KRXGCCQZVCDDHT-CYBMUJFWSA-N	293.411	1.024	10	20	CDCD	
COc1ccc(N(C)Cc2cnn(C)n2)cc1OC	809936525	FKFJZCBAQRRJKO-UHFFFAOYSA-N	262.313	1.469	10	20	CDCD	
COc1cccc(CN(C)[C@@H](CO)COC(C)C)c1O	809768527	ODMHGTXASKLBMH-ZDUSSCGKSA-N	283.368	1.619	10	20	CDCD	
CN(C)c1ccc(Cn2nnn(-c3ccccc3)c2=O)cc1	814735878	JHKNBHOQQOXNHR-UHFFFAOYSA-N	295.346	1.543	10	20	CDCD	
Cc1cc(O)c(CNCC2(CC(N)=O)CC2)cc1C	817411393	QYECHMLETHCARJ-UHFFFAOYSA-N	262.353	1.754	10	20	CDCD	
C[C@@H]1C[C@@H](NC(=O)c2c(F)ccc(O)c2O)CCN1C	826076678	IZXRSAKATKTNOO-BDAKNGLRSA-N	282.315	1.449	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1C[C@@H]1C(=O)O	738401851	JWSUFJYUBZPHCG-OLZOCXBDSA-N	276.336	1.398	10	20	CDCD	
COc1ccc(O)c(CN[C@H](C(=O)O)C(C)(C)C)c1	833733975	XOTJBXFTOLDYNJ-GFCCVEGCSA-N	267.325	1.990	10	20	CDCD	
O=C(COC(=O)c1cc(O)cs1)NCC1CC1	732352761	GBXUIRHLIRHTJW-UHFFFAOYSA-N	255.295	1.137	10	20	CDCD	
COc1ccc(CNC(=O)Nc2nc(C)no2)c(O)c1	836496334	RWXIYMDYTISLBV-UHFFFAOYSA-N	278.268	1.414	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)NC2CCNCC2)c1	841915834	MNZVFWPIMMWUAV-SNVBAGLBSA-N	293.367	1.513	10	20	CDCD	
CCC[C@@H](OC)C(=O)N(CC(=O)O)Cc1ccccc1O	911489626	UMXLIGRYJGPKIV-CYBMUJFWSA-N	295.335	1.621	10	20	CDCD	
CN(C)c1ccc(CN2CC[C@H](CN)C2)cc1F	843048542	GJPUPBUNUWOWPG-GFCCVEGCSA-N	251.349	1.672	10	20	CDCD	
CC(C)C[C@@H](CN)NCc1cc2c(cc1O)OCO2	841038450	JPEWOLQCJLLWOX-NSHDSACASA-N	266.341	1.584	10	20	CDCD	
CC(C)[C@@H](C)N(C)C(=O)C(=O)NCCc1ccc(N)cc1	842238655	VMTQIZRZQCPEOT-GFCCVEGCSA-N	291.395	1.430	10	20	CDCD	
CN(Cc1cccc(C(N)=O)c1)C(=O)Cc1ccc(N)cc1	746403972	YNJVUSMWIFKDDR-UHFFFAOYSA-N	297.358	1.569	10	20	CDCD	
CCn1ccc(CNCc2c(O)cccc2OC)n1	840955948	CHINRRWGQNDJHB-UHFFFAOYSA-N	261.325	1.907	10	20	CDCD	
CCCN(Cc1cc(OC)c(OC)cc1O)[C@@H]1CCNC1	843052473	LYTSICHITSCJQE-CYBMUJFWSA-N	294.395	1.983	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNCCCOCCO	840938123	XVRSDJCKWDMQKK-UHFFFAOYSA-N	266.385	1.550	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@@H](C)CCCN)c1	842000535	WWUWQMZSRFETEY-QWRGUYRKSA-N	295.383	1.888	10	20	CDCD	
COC[C@@](C)(CC(=O)OC)NCc1cc(F)ccc1O	757926752	NTKYYQDJKZYJQZ-CQSZACIVSA-N	285.315	1.589	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)C1(CO)CCOCC1	857466987	NQFOEDYTMWAKEF-UHFFFAOYSA-N	279.336	1.140	10	20	CDCD	
O=C1CN(C(=O)c2cc(O)cs2)[C@@H]2CCCC[C@@H]2N1	759099216	KHTJHBLDOGKBOC-VHSXEESVSA-N	280.349	1.337	10	20	CDCD	
CC[C@@H](NCCN1CC[C@H](O)C1)c1ccc(F)cc1O	858601096	CERSSNKNQHFJGE-GXTWGEPZSA-N	282.359	1.639	10	20	CDCD	
COC[C@@H](O)CNCc1cc(OC)cc(C(C)(C)C)c1O	850287118	SVSZXDINVIZVBK-LBPRGKRZSA-N	297.395	1.795	10	20	CDCD	
CON1CCC(N(C)C(=O)c2cc(O)cs2)CC1	854904275	RYYDGMQJYFGDSC-UHFFFAOYSA-N	270.354	1.552	10	20	CDCD	
C[C@H](NCCCn1cncn1)c1cc([N+](=O)[O-])ccc1O	756830564	RIXFNCDTKARGJE-JTQLQIEISA-N	291.311	1.633	10	20	CDCD	
Cn1ncc(C2CC2)c1CNC(=O)c1cc(O)cs1	855790636	BOXFEBUPBLOMRX-UHFFFAOYSA-N	277.349	1.995	10	20	CDCD	
CN(Cc1cc(Cl)cc(F)c1O)[C@@]1(CO)CCOC1	862426784	OHQCHGUXPCFFRY-CYBMUJFWSA-N	289.734	1.768	10	20	CDCD	
O=C(CCCCO)NCc1cc(Cl)ccc1O	869146015	DGSPWJIERBBUPK-UHFFFAOYSA-N	257.717	1.824	10	20	CDCD	
CN(C(=O)/C=C\CN1CCOCC1)c1ccc(N)cc1	877075469	DDEBAHVONONENK-IHWYPQMZSA-N	275.352	1.120	10	20	CDCD	
Cc1cccc(O)c1CNCc1nnc2n1CCC2	876922171	XWXUJCGQFZPXRQ-UHFFFAOYSA-N	258.325	1.528	10	20	CDCD	
CCC(=O)N1CC[C@H](NCc2c(C)cccc2O)C1	877086775	APKMRVVKCORJDG-LBPRGKRZSA-N	262.353	1.801	10	20	CDCD	
CCc1cccc(CN2CCN(C)C[C@H]2CO)c1O	877643189	BYLXFEZIVYNOHM-AWEZNQCLSA-N	264.369	1.063	10	20	CDCD	
CC(C)[C@](C)(O)C(=O)NCc1ccc(N(C)C)cc1	771100319	VLECYRDJWVOTLT-HNNXBMFYSA-N	264.369	1.776	10	20	CDCD	
CCNC(=O)[C@@H](C)NCc1ccc(OC)c(OC)c1O	893320782	QZGVCPPZCJCYBW-SECBINFHSA-N	282.340	1.024	10	20	CDCD	
COc1cc(N2C[C@@H]3C[C@]3(CO)C2)c([N+](=O)[O-])cc1OC	782407079	NUFNIUXTNGNSRC-LKFCYVNXSA-N	294.307	1.431	10	20	CDCD	
CCS(=O)(=O)C1CN(Cc2cc(C)cc(OC)c2O)C1	894910143	UCEFYFXIRALIGA-UHFFFAOYSA-N	299.392	1.328	10	20	CDCD	
COc1ccc(CNC(=O)NC/C=C/Cl)c(O)c1	899043868	ICATZVAEAZBUGN-GORDUTHDSA-N	270.716	1.953	10	20	CDCD	
CCOC1CCN(C(=O)c2c(F)ccc(O)c2O)CC1	789969439	UKNLYKYIDCHEQK-UHFFFAOYSA-N	283.299	1.878	10	20	CDCD	
COc1ccc(CNC(=O)NCc2cccnc2)c(O)c1	792759627	AFNSOGYCQJWVIG-UHFFFAOYSA-N	287.319	1.795	10	20	CDCD	
CCc1cc(O)ccc1NS(=O)(=O)C[C@H]1CCCO1	790416065	NXQXZFCXMKNPQT-GFCCVEGCSA-N	285.365	1.875	10	20	CDCD	
COC(C)(C)C(=O)COC(=O)/C=C\c1ccc(O)c(O)c1	798638443	PGNXDORZDBJDLO-ALCCZGGFSA-N	294.303	1.648	10	20	CDCD	
CN(C)[C@H]1CCC[C@H](NC(=O)c2cccc(O)c2O)C1	185802643	UKXKOQKHHKBLMQ-QWRGUYRKSA-N	278.352	1.700	10	20	CDCD	
CCCOc1ccc(CN(CC)CC(N)=O)c(O)c1	188466588	VSEASRPZYYPYOL-UHFFFAOYSA-N	266.341	1.488	10	20	CDCD	
CN(C)C[C@](C)(O)CNCc1cc(F)cc(F)c1O	708534560	AHLDGBNUOGFDPW-CYBMUJFWSA-N	274.311	1.073	10	20	CDCD	
C[C@H](NCCN1CCOC[C@H]1C)c1c(O)cccc1F	1332365968	SLGSZYMRUDJTJO-NEPJUHHUSA-N	282.359	1.903	10	20	CDCD	
CCc1cc(CNC(=O)c2cccc(O)c2O)on1	790773911	QGCQKDLXKNDOTK-UHFFFAOYSA-N	262.265	1.578	10	20	CDCD	
C[C@@](CNCc1ccc2c(c1)CCO2)(CC(=O)O)C(=O)O	1334853656	ULAVKJJPQJYCTF-HNNXBMFYSA-N	293.319	1.277	10	20	CDCD	
CO[C@H](C(=O)NCc1ccc(N)cc1)c1cnn(C)c1	1346210200	PFSFQFUDWUTUBS-ZDUSSCGKSA-N	274.324	1.006	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CC(F)(F)OC(F)(F)C1	1352987990	UHRIKCQSFQHWFY-UHFFFAOYSA-N	295.188	1.756	10	20	CDCD	
O=C(O)C[C@@H]1COCCN1Cc1cc2c(cc1O)CCC2	1601963210	JELIHXWEFJDHPG-CQSZACIVSA-N	291.347	1.556	10	20	CDCD	
CN(C)c1cc(F)c(CN(C)[C@H]2CCNC2)cc1F	1578422831	IBFKEOXCMVUZIT-NSHDSACASA-N	269.339	1.825	10	20	CDCD	
C[C@@H](NC[C@H]1CCCCN1)c1cc(C(=O)O)ccc1O	1593252082	NHPMECIIKMJWCV-ZYHUDNBSSA-N	278.352	1.883	10	20	CDCD	
CCS(=O)(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	5098821	TVNUSCVHKASEQH-AWEZNQCLSA-N	299.440	1.295	10	20	CDCD	
COCCC(=O)NCc1ccc2c(c1)CCCN2C	169811719	LQOAZQSNTRPAJU-UHFFFAOYSA-N	262.353	1.722	10	20	CDCD	
C[C@@H]1CN(C(=O)/C=C/c2cnn(C)c2)c2cccnc2O1	158591915	STOMAJQNKMICDM-MVIFTORASA-N	284.319	1.642	10	20	CDCD	
C[C@@H](NC(=O)C1(N)CC1)c1ccc(N2CCOCC2)cc1	166247125	PCHMVSGKJASHII-GFCCVEGCSA-N	289.379	1.192	10	20	CDCD	
COc1ccc(N(C)Cc2nnnn2C2CC2)cc1	844353120	HIBFNGORTQBQTF-UHFFFAOYSA-N	259.313	1.653	10	20	CDCD	
CN1C[C@@H](NCc2ccc3c(c2)CCCO3)CC1=O	921644383	PCNJASYXORNQGC-ZDUSSCGKSA-N	260.337	1.332	10	20	CDCD	
C[C@@H](NC(=O)[C@H]1CCCS1(=O)=O)c1ccccc1O	827951947	AFXIJDRMFWQPKJ-BXKDBHETSA-N	283.349	1.147	10	20	CDCD	
CN1CCC(O)(CNCc2cc(F)ccc2O)CC1	272362068	FOZHLOTXWHEZRO-UHFFFAOYSA-N	268.332	1.078	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CC[C@H]([C@H](C)O)C2)c1O	167856552	RBOJPAFBIXXIQW-ONGXEEELSA-N	281.327	1.937	10	20	CDCD	
CC(C)NC(=O)CCNCc1cc(F)cc(F)c1O	708517852	VUQAGXNTCIBLGM-UHFFFAOYSA-N	272.295	1.675	10	20	CDCD	
Cc1ccc(C(=O)N2CC[C@]3(CCOC3)C2)c(O)c1O	179543350	PILJWHRSMNBRRA-HNNXBMFYSA-N	277.320	1.659	10	20	CDCD	
C[C@H](CNCc1c(O)cccc1Cl)N1CCN(C)CC1	113336628	NAJXYGXMWPDXGV-GFCCVEGCSA-N	297.830	1.771	10	20	CDCD	
COC[C@H](NC(=O)NCc1cccc(OC)c1O)C1CC1	120092141	QTKMKHZGDDCOJN-LBPRGKRZSA-N	294.351	1.625	10	20	CDCD	
CC[C@H](CCO)NC(=O)NCc1ccc(N(C)C)c(F)c1	77800301	QNZVWCCRQMHAHK-GFCCVEGCSA-N	297.374	1.852	10	20	CDCD	
CC[C@H](C)OCC(=O)NCCc1ccc(O)c(O)c1	122441000	QHTAKQKAQKOWAI-JTQLQIEISA-N	267.325	1.572	10	20	CDCD	
COc1cccc(CN2C[C@H](C)NC[C@H]2C)c1O	86466842	ULOJABSOXFOLES-WDEREUQCSA-N	250.342	1.583	10	20	CDCD	
COc1ccc(N(C)CC(=O)Nc2ccon2)cc1OC	140317473	KRFNFVQPCLDDNY-UHFFFAOYSA-N	291.307	1.767	10	20	CDCD	
Oc1ccc(F)cc1CN1CCO[C@H]([C@@H]2CCCO2)C1	180266063	CMVGZZHGYWMPBA-GJZGRUSLSA-N	281.327	1.911	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)CNC2CC2)c1	237208461	FULKGIREVSOSRM-VIFPVBQESA-N	264.325	1.330	10	20	CDCD	
C[C@@H](NC[C@@H]1CCN(S(C)(=O)=O)C1)c1ccccc1O	183628439	OFLQCWSQNIABOP-NEPJUHHUSA-N	298.408	1.324	10	20	CDCD	
CN(C)c1ccc(CNCc2cc(C(N)=O)no2)cc1	273430521	SVVCFHZOMUZXER-UHFFFAOYSA-N	274.324	1.129	10	20	CDCD	
COC(=O)[C@@H]1CC[C@H]1C(=O)NCc1cccc(OC)c1O	286865654	YHSSHUVLVNMQAC-GHMZBOCLSA-N	293.319	1.216	10	20	CDCD	
O=C1NCCN1[C@@H]1CCCN(Cc2ccccc2O)C1	378381684	XDJTYSGWGZRIIK-CYBMUJFWSA-N	275.352	1.382	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)CCNC	285717970	TWUVLZGVQBHDMU-UHFFFAOYSA-N	250.342	1.740	10	20	CDCD	
CCOc1ccc(CN2CC[C@@H](S(C)(=O)=O)C2)c(O)c1	800534272	IYUDVVGDZUOHQM-CYBMUJFWSA-N	299.392	1.410	10	20	CDCD	
CS[C@@H]1CCN(C(=O)c2ccc(C)c(O)c2O)C1	297008414	SUYCCXLWIJADSE-SECBINFHSA-N	267.350	1.984	10	20	CDCD	
COC(=O)C[C@H](C)CC(=O)NCc1ccc(OC)cc1O	809801951	KDZFOWDZTORIJA-SNVBAGLBSA-N	295.335	1.606	10	20	CDCD	
CC[C@@H](NC[C@@H]1CNCCO1)c1ccc(F)cc1O	817983966	SQCUOYNFBBJWSI-WCQYABFASA-N	268.332	1.560	10	20	CDCD	
C[C@H](C[C@H]1COCCN1)NCCc1ccc(N)cc1	817958247	UVWWUYAWMSYKMN-DOMZBBRYSA-N	263.385	1.168	10	20	CDCD	
COc1cccc(CNC(=O)CN2CCSC2=O)c1O	729859513	RODKWDVDWWKABW-UHFFFAOYSA-N	296.348	1.186	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)CCCNC(=O)O)c1	738041057	GFHWAPOPFOOKAW-SECBINFHSA-N	296.323	1.626	10	20	CDCD	
CC[C@H](OC)C(=O)N(CC(=O)O)Cc1ccccc1O	911486204	NBAJJMLSJQNFCH-LBPRGKRZSA-N	281.308	1.230	10	20	CDCD	
C/C=C\C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	749406209	MVZXECGVTDWSRI-IHWYPQMZSA-N	292.354	1.979	10	20	CDCD	
CCOc1ccc(CN2CCN[C@H](C)[C@@H]2C)c(O)c1	843057006	FBWDFFKWYPWUIZ-NEPJUHHUSA-N	264.369	1.973	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN[C@H](C)[C@H]1CN(C)CCO1	840935876	DIRFJLWZPQIGMD-RHSMWYFYSA-N	291.439	1.870	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)[C@H](N)CCN(C)C	846670601	PPCGEQYXKIWQKO-CQSZACIVSA-N	293.411	1.410	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1CCO[C@@H]([C@@H](C)N)C1	843056670	UZAPJJGTDVSXGY-CZUORRHYSA-N	277.412	1.609	10	20	CDCD	
Cc1cccc(CN2C[C@H](CN)C3(CCOCC3)C2)c1O	843125045	MCWHSQYXBDDVDA-HNNXBMFYSA-N	290.407	1.888	10	20	CDCD	
CCCN(C)S(=O)(=O)NCc1cc(Cl)ccc1O	845997274	ZTWGDGQKNDKNIE-UHFFFAOYSA-N	292.788	1.722	10	20	CDCD	
NC[C@H](NCc1cc(Br)ccc1O)C1CC1	841027436	BAWPSASUZCKWBH-NSHDSACASA-N	285.185	1.982	10	20	CDCD	
NC1(CNCc2cc(Cl)cc([N+](=O)[O-])c2O)CCC1	841050882	JREPPQQHKLYYEK-UHFFFAOYSA-N	285.731	1.925	10	20	CDCD	
CCn1cnnc1CCNCc1ccc2c(c1)CCCO2	921752219	ZLIDSBKNAXJSRB-UHFFFAOYSA-N	286.379	1.955	10	20	CDCD	
Cc1cc(C)c(O)c(CN2CC[C@@H]3OCC(=O)N[C@H]3C2)c1	840154291	WQYIEHGYFBPHFW-KBPBESRZSA-N	290.363	1.098	10	20	CDCD	
N[C@@H]1CCC[C@H]2CN(Cc3cc4c(cc3O)OCO4)C[C@@H]12	843059901	UGDAGKSQQOVDGJ-CYZMBNFOSA-N	290.363	1.680	10	20	CDCD	
C[C@@H](NC/C=C/CO)c1cc([N+](=O)[O-])ccc1O	850510262	WYEFMIMIFDDPJR-GKQMSVHHSA-N	252.270	1.500	10	20	CDCD	
COc1cc(CN(C)Cc2cn(C)nn2)c(O)cc1C	853567198	FHYNUUPVSUDAKO-UHFFFAOYSA-N	276.340	1.470	10	20	CDCD	
O=C(NCc1ccccc1O)N[C@H]1CC[C@H](O)CC1	753719357	VVSRVJCKFOJFLM-HAQNSBGRSA-N	264.325	1.495	10	20	CDCD	
CN(C)c1cc(F)c(CNCCNC(=O)C2CC2)cc1F	858088060	ZMZYCTFSQPDOQI-UHFFFAOYSA-N	297.349	1.647	10	20	CDCD	
C[C@@H](NC(=O)NCCC1(C)OCCO1)c1ccccc1O	868501082	YYLDDLUMMQZGNK-LLVKDONJSA-N	294.351	1.906	10	20	CDCD	
Cc1cccc(O)c1CN1CC[C@@H](C)C[C@@H]1C(N)=O	877436945	PKDNPAGOCSXKPT-ZWNOBZJWSA-N	262.353	1.786	10	20	CDCD	
Cc1cccc(O)c1CN1CC(=O)N[C@H]2CCCC[C@H]21	876653377	YTJCLVXLIQZASL-UONOGXRCSA-N	274.364	1.944	10	20	CDCD	
CCN(C)c1ccc(CN(C)[C@H]2CCNC2=O)cc1	773810953	QJCNGXTXNISZRL-AWEZNQCLSA-N	261.369	1.463	10	20	CDCD	
COCCN(Cc1c(C)cccc1O)[C@H](C)C(N)=O	876695992	NGWZWMBALMOCJQ-LLVKDONJSA-N	266.341	1.023	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NOC1CCOCC1	775242888	DQRXGJSUYDGXRO-DUXPYHPUSA-N	279.292	1.338	10	20	CDCD	
Oc1ccc(Cl)cc1CN1CCn2ncnc2C1	770664967	YDMZKIPNGNAQKB-UHFFFAOYSA-N	264.716	1.653	10	20	CDCD	
CN1CCN(c2ccc(CNC(=O)NCCF)cc2)CC1	889665294	KUHOYJLGSHLMJT-UHFFFAOYSA-N	294.374	1.207	10	20	CDCD	
CN(C)c1ccc(CN2CCSC[C@H]2CO)cc1	785760921	ORFDSLSTJJJTGJ-CQSZACIVSA-N	266.410	1.662	10	20	CDCD	
CC(=O)c1cc(Cl)cc(Cn2cc([C@@H](C)O)nn2)c1O	880999345	LRGCEYLROPWZEC-MRVPVSSYSA-N	295.726	1.941	10	20	CDCD	
O=C(Nc1nccs1)c1c(F)ccc(O)c1O	789947257	TXROCROUISIMCG-UHFFFAOYSA-N	254.242	1.946	10	20	CDCD	
COc1cc(O)c(CN[C@@H](C)C[C@@H](C)O)cc1OC	783602425	LDDDMISUUNORGG-VHSXEESVSA-N	269.341	1.658	10	20	CDCD	
CCOc1ccc(CN[C@@H]2COCC[C@H]2OC)c(O)c1	897891739	NZLHHUPXUVBPME-UKRRQHHQSA-N	281.352	1.684	10	20	CDCD	
C[C@H]1CO[C@@H](CO)CN1Cc1cc(F)cc(F)c1O	894095422	QIKURFMDCPROAV-GZMMTYOYSA-N	273.279	1.252	10	20	CDCD	
CCCN(CC(C)(C)O)C(=O)c1c(F)ccc(O)c1O	899148108	ZWYWISKOGGMNKU-UHFFFAOYSA-N	285.315	1.860	10	20	CDCD	
CCOC(=O)CN(C)Cc1cc(C)cc(OC)c1O	893923034	DMRKXQZGOFDPHD-UHFFFAOYSA-N	267.325	1.704	10	20	CDCD	
Cc1nc(CS(=O)(=O)NCc2ccccc2O)cs1	790386014	PAUCRDWDEJHYIB-UHFFFAOYSA-N	298.389	1.777	10	20	CDCD	
C[C@H](CN1CCOCC1)NCc1c(O)cccc1Cl	83551909	XRBVQRRGVUKZGY-LLVKDONJSA-N	284.787	1.856	10	20	CDCD	
COc1cccc(CNC(=O)NCc2nnc(C)o2)c1O	1252362219	PKOYAYRGYXJJIS-UHFFFAOYSA-N	292.295	1.092	10	20	CDCD	
CN(C(=O)NCc1ccc(N)cc1)[C@H]1CCSC1	1337018731	MKKZSVIRUWGBJC-LBPRGKRZSA-N	265.382	1.916	10	20	CDCD	
C/C(=C/c1cccnc1)C(=O)N1CCCn2ncc(N)c21	1574980983	XAYSUZSIXJIAAU-FLIBITNWSA-N	283.335	1.701	10	20	CDCD	
CN(C)c1ccc(CN(C[C@@H]2CNCCO2)C2CC2)cc1	1578425872	PVCLMRJNERAODC-KRWDZBQOSA-N	289.423	1.705	10	20	CDCD	
CO[C@]1(C(=O)O)CCN(Cc2cccc(F)c2O)C1	1599078135	AKAQEXQLRPGHSA-CYBMUJFWSA-N	269.272	1.207	10	20	CDCD	
CC[C@H](N[C@H]1CCN(c2ccc(OC)cc2)C1)C(=O)O	1595284150	PZYWTEABPCSITE-FZMZJTMJSA-N	278.352	1.727	10	20	CDCD	
COCCC[C@H](NCc1ccc(N(C)C)cc1)C(=O)O	1777203394	LTRPHHAUIVSWOX-AWEZNQCLSA-N	280.368	1.722	10	20	CDCD	
CCOC(=O)N1CCN(C(=O)Cc2ccc(N)cc2)CC1	20185719	BPOCOAYRKVABFG-UHFFFAOYSA-N	291.351	1.112	10	20	CDCD	
CCNC(=O)[C@@H](C)NCc1cc(Cl)cc(OC)c1O	228677061	JPZREIBAWFBOAZ-MRVPVSSYSA-N	286.759	1.668	10	20	CDCD	
COCCN(CCOC)Cc1cc2c(cc1O)OCO2	147453009	YDFXMDCKANKDBS-UHFFFAOYSA-N	283.324	1.216	10	20	CDCD	
CCN(CC)C(=O)CN(C)Cc1cccc(OC)c1O	155097858	POQHDLPTJVWQOO-UHFFFAOYSA-N	280.368	1.701	10	20	CDCD	
COc1cccc(CNC[C@@H]2CCN(C3CC3)C2)c1O	37649333	QMTFHEACRIPGKH-LBPRGKRZSA-N	276.380	1.975	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CC[C@H](O)[C@H](C)C2)c1O	166477262	UPCIOPBHEKNMAY-OTYXRUKQSA-N	281.327	1.937	10	20	CDCD	
O=C(c1cccc(O)c1O)N(CC(F)F)C1CC1	187198521	QIYABPBUEZGDQA-UHFFFAOYSA-N	257.236	1.968	10	20	CDCD	
COC(=O)N(C)CCNCc1cccc(OC)c1O	689589088	WXBYMEZQZAIUMS-UHFFFAOYSA-N	268.313	1.189	10	20	CDCD	
C[C@H]1CCN(C(=O)Cc2ccc(N)cc2)[C@H](CN)C1	261672193	CSTMARSGWGKZJF-FZMZJTMJSA-N	261.369	1.397	10	20	CDCD	
CCOc1cccc(CNC[C@@H]2CCN2C)c1O	712536598	UMAFCCRNNFBFCB-LBPRGKRZSA-N	250.342	1.585	10	20	CDCD	
Nc1ccc(NC(=O)NCCCn2cncn2)cc1	381268374	HAONCBZQDXGDJF-UHFFFAOYSA-N	260.301	1.072	10	20	CDCD	
OC[C@@H](C[C@H]1CCCO1)NCc1cc(F)ccc1O	895746847	GMUCAVSUGPEQNM-CHWSQXEVSA-N	269.316	1.551	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@H]2CCCOC2)cc1F	170798015	KMCQRXYTCKSPFB-GFCCVEGCSA-N	280.343	1.935	10	20	CDCD	
O=C1NC(=S)NC(=O)C1=CNc1cccc2cccnc12	60865379	XQIMTVZVWCKPFJ-UHFFFAOYSA-N	298.327	1.062	10	20	CDCD	
COC(=O)[C@H]1C[C@@H](O)CN1Cc1cc(C)c(C)cc1O	187569009	QJZYZYVPSURPIA-CHWSQXEVSA-N	279.336	1.117	10	20	CDCD	
C[C@@H]1CO[C@@H](CO)CN1Cc1cccc(Cl)c1O	305758321	BCERCWCVIICRRN-MWLCHTKSSA-N	271.744	1.627	10	20	CDCD	
CC[C@](C)(NC(=O)c1cccc(O)c1O)C(=O)O	126063359	LMTMITBGHHDYMY-LBPRGKRZSA-N	253.254	1.081	10	20	CDCD	
COC[C@H](CCO)NCc1ccc(OC)c(C)c1	219140528	NCGJPLSGEUFZMG-ZDUSSCGKSA-N	253.342	1.491	10	20	CDCD	
CO[C@@H](C)CN(C)Cc1cc2c(cc1O)OCO2	285276185	ZFVRGDILISWKQV-VIFPVBQESA-N	253.298	1.588	10	20	CDCD	
CO[C@H]1CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1	181033216	ZMHMZWAIGDMUMM-PZBABLGHSA-N	277.320	1.748	10	20	CDCD	
C[C@H](CCN1CCN(C)CC1)NCc1cc(F)ccc1O	186596761	AVZUVMVLSLTQHQ-CYBMUJFWSA-N	295.402	1.647	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C1=CCCCO1	186413320	PAXQTOPPPLILTC-JTQLQIEISA-N	277.320	1.839	10	20	CDCD	
CO[C@@H](C)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1	77639335	HIESYFXJDYFRQN-ZDUSSCGKSA-N	292.379	1.517	10	20	CDCD	
CCN(CC)c1ccc(CN[C@H](C(=O)OC)[C@@H](C)O)cc1	191964104	ZVFWWSCRUNWPRZ-DOMZBBRYSA-N	294.395	1.545	10	20	CDCD	
CCC[C@H]1C(=O)NCCN1Cc1cccc(OCC)c1O	93771534	LPNSVOXGKYPJQU-ZDUSSCGKSA-N	292.379	1.891	10	20	CDCD	
C[C@H](N[C@@H]1COC[C@H]1O)c1ccc(N(C)C)cc1	296082339	XLONPFJBMSXHSQ-ZLKJLUDKSA-N	250.342	1.163	10	20	CDCD	
C[C@H](NCCO)c1ccc(N2CCOCC2)cc1	268760101	ZMCOBIAJEFAPHE-LBPRGKRZSA-N	250.342	1.166	10	20	CDCD	
COC[C@@H](CNC(=O)N(C)Cc1ccccc1O)OC	272971589	OLZRHVSTBUZPJL-GFCCVEGCSA-N	282.340	1.195	10	20	CDCD	
COc1ccc(O)c(CN2CCc3n[nH]c(=O)cc3C2)c1	274933128	OVNFKQITTQDCKP-UHFFFAOYSA-N	287.319	1.042	10	20	CDCD	
O=C(C[C@H]1CSCCS1)NCc1ccc(O)c(O)c1	272335137	NJERPQNLFMFTNO-JTQLQIEISA-N	299.417	1.953	10	20	CDCD	
CC(=O)C(=O)CSc1nccc(C(F)(F)F)n1	289658152	OGUWLXNDZFSCFZ-UHFFFAOYSA-N	264.228	1.746	10	20	CDCD	
COc1ccc(N(C)C[C@@H](O)CN(C)C2CC2)c(OC)c1	289332650	HWLHWQLOJIRSEL-ZDUSSCGKSA-N	294.395	1.595	10	20	CDCD	
CC(C)[C@H](O)C1(CNC(=O)c2c(F)ccc(O)c2O)CC1	297427281	HQIKCTGLABDFMB-ZDUSSCGKSA-N	297.326	1.764	10	20	CDCD	
O=C(N[C@H]1CCC[C@H]1CCO)c1c(F)ccc(O)c1O	295726848	LOVMURWFEYSFRQ-WPRPVWTQSA-N	283.299	1.518	10	20	CDCD	
NC(=O)C[C@H]1CCN(Cc2cc3c(cc2O)CCCC3)C1	808229244	OSZKAIFIGCBSQA-GFCCVEGCSA-N	288.391	1.968	10	20	CDCD	
CCCOc1ccc(CN2CC(O)(COC)C2)c(O)c1	297295853	BGFYANUZWCALMD-UHFFFAOYSA-N	281.352	1.374	10	20	CDCD	
CC[C@@H](NCCN1CCNCC1)c1ccc(C)cc1O	817945015	RIBORXGFLZUYNJ-OAHLLOKOSA-N	277.412	1.647	10	20	CDCD	
CC[C@H](CNCc1ccc(N2CCN(C)CC2)cc1)OC	810176793	WRDIZVKDMFCJEQ-QGZVFWFLSA-N	291.439	1.953	10	20	CDCD	
COC[C@@]1(CN[C@H](C)c2ccccc2O)CCCN1	817974389	LCSGZFOGZVXTQW-DOMZBBRYSA-N	264.369	1.811	10	20	CDCD	
COCCCOc1ccccc1NC[C@H](O)COC	819421279	IBNNFZPFANMQAE-LBPRGKRZSA-N	269.341	1.521	10	20	CDCD	
C[C@@H](Cc1cnccn1)NCc1cc2c(cc1O)OCO2	725849691	UZHYUDCHJPUCKE-JTQLQIEISA-N	287.319	1.632	10	20	CDCD	
COc1cccc(O)c1CN1C[C@@H](C)[C@@](C)(CO)C1	827700011	NXJGWVWPNUUKOU-IAQYHMDHSA-N	265.353	1.851	10	20	CDCD	
CC[C@@H](C)[C@@](C)(O)CNC(=O)c1c(F)ccc(O)c1O	825972738	BKXRKTOPNALUKA-CLAHSXSESA-N	285.315	1.764	10	20	CDCD	
O=C(NCc1ccccc1O)c1ccc2c(c1)C(=O)NC2=O	729530107	XHSUADBXCLQKTM-UHFFFAOYSA-N	296.282	1.206	10	20	CDCD	
O=C(O)CCc1nc(CSc2nccs2)no1	739771889	NAYSSWFCMCATOH-UHFFFAOYSA-N	271.323	1.836	10	20	CDCD	
CC[C@]1(CO)CCCN1C(=O)c1cc(O)cs1	832746767	YUJNERWNGOKEAW-GFCCVEGCSA-N	255.339	1.831	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H](CO)c1ccccc1	588407911	WGSVDKVRTFJWTE-LEJCZOIISA-N	299.326	1.961	10	20	CDCD	
CNC(=O)CC1CCN(C(=O)Cc2ccc(N)cc2)CC1	830959462	KSWUQBNCMUFVBM-UHFFFAOYSA-N	289.379	1.186	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2c(C)cnn2C)c1	839651171	QMRDSZYVQFAIGS-SNVBAGLBSA-N	289.335	1.934	10	20	CDCD	
C[C@@H](NC(=O)c1cc(O)cs1)c1cnn(C)c1	743503179	PWLMBBOYZIENTR-SSDOTTSWSA-N	251.311	1.678	10	20	CDCD	
CN(C)c1ccc([C@@H](N)CN[C@H]2CCCNC2)cc1	843125558	CBDYKXYHTDXCPM-ZFWWWQNUSA-N	262.401	1.094	10	20	CDCD	
COC[C@@]1(CNCc2ccc(N(C)C)cc2C)CCCN1	841067869	QBPDGPCYNARWLH-KRWDZBQOSA-N	291.439	1.919	10	20	CDCD	
C[C@H](NCCN1CCCC1=O)c1cc(F)cc(F)c1O	846204637	AFNMQOPSOMUHQZ-VIFPVBQESA-N	284.306	1.943	10	20	CDCD	
CCN1C(=O)/C(=C/c2cn(C)nn2)SC1=S	741465315	UJUDUQLSDKXPAU-DAXSKMNVSA-N	254.340	1.036	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@H](CN)C1	841829319	ZYLFJOFFBINMMR-CYBMUJFWSA-N	290.411	1.551	10	20	CDCD	
COc1ccc(O)c(CNC[C@@H]2CCCCN2)c1	841033348	RBUYBKCDRNTXTI-LBPRGKRZSA-N	250.342	1.633	10	20	CDCD	
CCCN1CC[C@H](NC(=O)c2ccc(C)c(O)c2O)C1	856073469	QWYOVTANPDXSMA-NSHDSACASA-N	278.352	1.620	10	20	CDCD	
CNC(=O)[C@@H]1CCCN(Cc2c(O)cccc2OC)C1	769402907	DSLZVHUNECJJEC-LLVKDONJSA-N	278.352	1.359	10	20	CDCD	
COc1cc(CN2C[C@H](O)[C@@H](O)C2)c(O)c(C(C)(C)C)c1	862446115	QNHIINNXKPWHFF-KBPBESRZSA-N	295.379	1.236	10	20	CDCD	
COc1ccc(N(C)C(=O)/C=C/c2cnn(C)c2)nc1	766845529	CZGOUECYXDTZBI-QPJJXVBHSA-N	272.308	1.500	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)CN2CCCCCC2=O)c1	862761122	FIUAPROLFFOGMP-UHFFFAOYSA-N	290.363	1.719	10	20	CDCD	
CN(C(=O)CCCN1C(=O)CCC1=O)c1ccc(N)cc1	877081198	XEQTZLDZCLTSGV-UHFFFAOYSA-N	289.335	1.161	10	20	CDCD	
CCOC(=O)[C@@H](C)NCc1ccc([N+](=O)[O-])c(OC)c1O	775101397	VRUJRKNRUNSNBX-MRVPVSSYSA-N	298.295	1.350	10	20	CDCD	
CCOCCOC[C@@H](O)CNCc1c(C)cccc1O	877475093	LURCPIYTLQBMDL-ZDUSSCGKSA-N	283.368	1.204	10	20	CDCD	
CN(CCN(C)C1CC1)C(=O)c1cc(O)cs1	771742131	APCKLWKPIRPVSD-UHFFFAOYSA-N	254.355	1.620	10	20	CDCD	
CON(C)CCNCc1c(O)ccc(Cl)c1F	883172056	SGFQDEYPYXEGRL-UHFFFAOYSA-N	262.712	1.768	10	20	CDCD	
COc1ccc(CNC(=O)c2cnccn2)c(O)c1	794389924	SMRYQDHEUOCVEV-UHFFFAOYSA-N	259.265	1.121	10	20	CDCD	
COc1ccc(CNC(=O)N[C@@H]2CCO[C@@H](C)C2)c(O)c1	793032242	WIOQYYDHTAVIIV-CMPLNLGQSA-N	294.351	1.768	10	20	CDCD	
CC(C)N[C@@H]1CCCN(C(=O)c2cccc(O)c2O)C1	790617113	BQZAXHYMUBZIDH-LLVKDONJSA-N	278.352	1.700	10	20	CDCD	
CN[C@H](C)CCNC(=O)NCc1ccc(N(C)C)cc1	1325371654	LDKKASQMBNHNSL-GFCCVEGCSA-N	278.400	1.550	10	20	CDCD	
CCn1cnnc1CNCc1cc(F)cc(F)c1O	708494461	KLKWUWAFVWXOOY-UHFFFAOYSA-N	268.267	1.572	10	20	CDCD	
CCCNC(=O)[C@H](C)NC(=O)/C=C\c1ccc(O)c(O)c1	1336705867	LLCXFCYBYRDYTJ-BXKUYDPTSA-N	292.335	1.142	10	20	CDCD	
C[C@@H]1C[C@H](N)CN1C(=O)NCc1ccc(N(C)C)cc1	1334160807	HEVGGSPDSVKFDP-YPMHNXCESA-N	276.384	1.384	10	20	CDCD	
Cc1nnc([C@@H](C)NC(=O)NCc2ccc(N)cc2)s1	1338583636	UUODZYBSAGUONJ-MRVPVSSYSA-N	291.380	1.989	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)C[C@@H]2C=CS(=O)(=O)C2)c1	1348479184	RCBGWEQHKUONNY-NSHDSACASA-N	295.360	1.265	10	20	CDCD	
O=C(O)c1cnc(SCC(=O)C(F)F)s1	1608978656	KZWIZYANVQWVHA-UHFFFAOYSA-N	253.251	1.768	10	20	CDCD	
Cc1cc(C(=O)O)oc1C(=O)NCc1ccc(O)c(O)c1	1607603115	UOFFKIWVUNBMAG-UHFFFAOYSA-N	291.259	1.627	10	20	CDCD	
O=C(O)Cc1occc1C(=O)NCc1ccc(O)cc1O	1602155719	TTZUEHWMKDSUOM-UHFFFAOYSA-N	291.259	1.248	10	20	CDCD	
CC(C)(C(=O)O)N1CCN(Cc2cc(F)ccc2O)CC1	1603266658	SNCAUWVEFIFNRM-UHFFFAOYSA-N	296.342	1.512	10	20	CDCD	
Cc1cccc(CN2CC[C@](F)(C(=O)O)C2)c1O	1600532478	JRYHWVIFWOZLTP-CYBMUJFWSA-N	253.273	1.699	10	20	CDCD	
CC[C@H](NC)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	1577172270	RVKJPJJYFRDAIJ-RISCZKNCSA-N	263.385	1.928	10	20	CDCD	
O=C(O)CC1(C(=O)NCc2ccc(O)cc2O)CCC1	1594976325	MDLWIEKXMMCBPZ-UHFFFAOYSA-N	279.292	1.359	10	20	CDCD	
Cc1ccc(O)c(CN2CCN(c3ncccn3)CC2)c1	158829767	ODTCLWAOZKQHFR-UHFFFAOYSA-N	284.363	1.813	10	20	CDCD	
COc1cc(C)cc(CN2CCOC[C@@H]2C)c1O	163979703	DHBVJEBBZSIPFK-NSHDSACASA-N	251.326	1.930	10	20	CDCD	
CC[C@@H](Sc1ncc(C(=O)OC)s1)C(=O)O	1589585162	NGLWCTAICBLAJP-RXMQYKEDSA-N	261.324	1.885	10	20	CDCD	
CS(=O)(=O)CCCNCc1ccc2c(c1)CCCO2	921686261	PVVJMZYLROBHJK-UHFFFAOYSA-N	283.393	1.536	10	20	CDCD	
CC[C@H]1CN(C(=O)Cc2ccc(N)cc2)C[C@H](C)O1	237063706	RUWNILMATBCMOL-FZMZJTMJSA-N	262.353	1.837	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC[C@]2(O)CCO[C@H]2C)c1	278909088	VQDLSILAAOKLPF-ZIBATOQPSA-N	281.352	1.591	10	20	CDCD	
CC[C@H]1NCC[C@@H]1C(=O)NCc1ccc(N(C)C)cc1	289463695	ACNSJPLNGSBQGT-LSDHHAIUSA-N	275.396	1.757	10	20	CDCD	
COC[C@H]1CN(Cc2cccc(Cl)c2O)CCO1	180327888	JRQPAXNZCIZFJU-LLVKDONJSA-N	271.744	1.893	10	20	CDCD	
Cc1ccc(O)c(CN2CCC(S(C)(=O)=O)CC2)c1	311886458	ZGDYQKXTALIADP-UHFFFAOYSA-N	283.393	1.710	10	20	CDCD	
COC[C@@H](C)OC[C@@H](O)CN(C)c1ccc(N)cc1	702111304	PNTZTDNSZJANKJ-RISCZKNCSA-N	268.357	1.117	10	20	CDCD	
CNC(=O)CCCN[C@H](C)c1ccc(N(C)C)cc1	398367306	MZQCKGXFBBSSAP-GFCCVEGCSA-N	263.385	1.929	10	20	CDCD	
CC(C)[C@@H](C(=O)NCc1ccc(N(C)C)cc1)[C@@H](C)N	399412544	WUXWUOIRHJKQNC-IUODEOHRSA-N	277.412	1.988	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NCC(C)(C)O)cc1F	108567754	BCVDEUAIDFBODQ-UHFFFAOYSA-N	283.347	1.462	10	20	CDCD	
C[C@@H]1CN(C(=O)CN(C)Cc2ccccc2O)C[C@@H](C)O1	111235101	LSVJMRXALDOGIW-CHWSQXEVSA-N	292.379	1.460	10	20	CDCD	
C[C@@H]1C(=O)NCCN1Cc1cccc(Cl)c1O	179921084	FECBECRXNVTVDG-MRVPVSSYSA-N	254.717	1.366	10	20	CDCD	
COCCC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	183487256	AYGBUIACYUQZIX-VIFPVBQESA-N	253.298	1.182	10	20	CDCD	
OCCn1cc(NCc2cccc(Cl)c2O)cn1	305790919	TYWPMPZTINWGHV-UHFFFAOYSA-N	267.716	1.847	10	20	CDCD	
Cc1ccc([C@H](C)NCCNC(=O)c2ccn[nH]2)c(O)c1	186511341	ASPVHCNDMYXJSC-NSHDSACASA-N	288.351	1.504	10	20	CDCD	
CC[C@H](O)CCNC(=O)c1ccc(C)c(O)c1O	182816997	CGSZQUPDJSURFC-VIFPVBQESA-N	253.298	1.297	10	20	CDCD	
CCNC(=O)CN(CC)Cc1cc(C)ccc1O	133612800	IFNHFEGSISRXLL-UHFFFAOYSA-N	250.342	1.659	10	20	CDCD	
COc1ccc(O)c(CNC(=O)Cc2ccc(O)cc2)c1	133796888	UEGDCYQPRBBACD-UHFFFAOYSA-N	287.315	1.965	10	20	CDCD	
O=C1COc2ccc(/C=C3\SC(=S)NC3=O)cc2N1	149664347	ZIYDFKARKQYMMF-WTKPLQERSA-N	292.341	1.506	10	20	CDCD	
CC[C@H](C)CS(=O)(=O)NCc1ccccc1O	265840305	WNMURBZXURRFPJ-JTQLQIEISA-N	257.355	1.858	10	20	CDCD	
Cc1c(CN=c2[nH]ccn(C)c2=O)n(C)c2ccccc12	359832350	OHGJGTVPDJYOLH-UHFFFAOYSA-N	282.347	1.614	10	20	CDCD	
O=C(NCc1ccc(N2CCOCC2)cc1)c1ccncn1	275101692	FKCSHOSJBJLVAR-UHFFFAOYSA-N	298.346	1.243	10	20	CDCD	
O=C(NC[C@H]1CCCC[C@@H]1O)c1c(F)ccc(O)c1O	276579114	LLOAZQKAJCTBQL-SCZZXKLOSA-N	283.299	1.518	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCCN1C	274915922	JZSNTHGDRKXIFY-PWSUYJOCSA-N	278.352	1.239	10	20	CDCD	
CNC(=O)C1CCN(Cc2ccc(N(C)C)c(F)c2)CC1	271052402	XCMKXCKJIYVPDJ-UHFFFAOYSA-N	293.386	1.850	10	20	CDCD	
CCO[C@@H]1C[C@H](NCc2cc(F)ccc2O)[C@@H]1OC	274847867	ATWGTJDAUXKUNH-YUTCNCBUSA-N	269.316	1.813	10	20	CDCD	
CCCOc1ccc(CN[C@H](C(=O)OC)[C@@H](C)O)c(O)c1	276510763	TWHKIVLEMFHNMU-YGRLFVJLSA-N	297.351	1.193	10	20	CDCD	
CCc1[nH]ccc1C(=O)NCCc1ccc(O)c(O)c1	286740908	KUJSCTZYGYXTQE-UHFFFAOYSA-N	274.320	1.961	10	20	CDCD	
COC(=O)c1cn(CCN[C@H](C)c2ccccc2O)nn1	284293138	IHAONNSXXIUPJQ-SNVBAGLBSA-N	290.323	1.121	10	20	CDCD	
CNC(=O)CC[C@@H]1CCCCN1C(=O)c1cc(O)cs1	807739025	IQKIBTNTTHSDRT-JTQLQIEISA-N	296.392	1.975	10	20	CDCD	
C[C@@H](NC(=O)Cc1cncn1C)c1ccc(N(C)C)cc1	807274062	HDVBSZVVPZXAKD-GFCCVEGCSA-N	286.379	1.906	10	20	CDCD	
CCn1nncc1C(=O)N(C)Cc1ccccc1O	293394423	NOETYNSCOLZDGR-UHFFFAOYSA-N	260.297	1.276	10	20	CDCD	
CN(C)c1ccc(CNC(=O)C(=O)c2cccn2C)cc1	806317974	PKQZYIGVDIPKFS-UHFFFAOYSA-N	285.347	1.590	10	20	CDCD	
C[C@@H](N[C@@H]1COC[C@H]1O)c1ccc(F)c(F)c1O	296086460	XTEZOOGQUGRLKM-BDODKLCJSA-N	259.252	1.081	10	20	CDCD	
OC/C=C\CNCc1ccc(N2CCOCC2)cc1	717479125	TYBRAIGXNHQJPR-UPHRSURJSA-N	262.353	1.161	10	20	CDCD	
CCNC(=O)CNCc1cc(Cl)c(F)cc1O	816560784	ACERXDGBYRIXMS-UHFFFAOYSA-N	260.696	1.410	10	20	CDCD	
COC(=O)[C@@H]1CN(Cc2ccc(N(C)C)c(C)c2)CCO1	815036803	BUYHLPPYXMQKBY-HNNXBMFYSA-N	292.379	1.435	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1C[C@@]12CCNC2	829764746	WGKVJJBIMHMODO-DOTOQJQBSA-N	287.407	1.677	10	20	CDCD	
Cc1cc(O)c(CNC[C@H]2CCCNC2=O)cc1Cl	826120299	BKLRYTLVFZVIQJ-SNVBAGLBSA-N	282.771	1.970	10	20	CDCD	
CN1CC[C@@H]2CN(Cc3cc(F)ccc3O)C[C@@H]21	824893196	NFXVNDWEMQKCIG-MFKMUULPSA-N	250.317	1.667	10	20	CDCD	
C[C@H](N)CC(=O)NCc1ccc(N(C)C)c(F)c1	827901969	XHAHONJWFRALGT-VIFPVBQESA-N	253.321	1.245	10	20	CDCD	
CCN(CC)C(=O)[C@H](C)OC(=O)c1ccc(C)c(O)c1O	727004022	KVAVIXQCRGKRPF-JTQLQIEISA-N	295.335	1.820	10	20	CDCD	
COc1ccc(O)c(CNC(=O)CCCN(C)C(=O)O)c1	738043825	HKUXONKAVANDRU-UHFFFAOYSA-N	296.323	1.407	10	20	CDCD	
CCc1[nH]nc(C(=O)NCc2ccccc2O)c1[N+](=O)[O-]	731809024	MYSUCSYSLUJLHX-UHFFFAOYSA-N	290.279	1.516	10	20	CDCD	
C[C@H](NC(=O)O)C(=O)NCc1ccc(N2CCCC2)cc1	833739598	JYBQLRSTKSTDAE-NSHDSACASA-N	291.351	1.559	10	20	CDCD	
CC1=NO[C@@H](C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)C1	831924013	BIAXONQEGPHUMB-ISVAXAHUSA-N	278.308	1.310	10	20	CDCD	
CCN(C[C@@H]1CCOC1)C(=O)c1cc(O)cs1	731871126	DMYSBCRZJNOBDT-VIFPVBQESA-N	255.339	1.952	10	20	CDCD	
C[C@@H](NC(=O)CCO)c1ccc(N2CCOCC2)cc1	902824938	ONYFSPUVZJPZHT-GFCCVEGCSA-N	278.352	1.083	10	20	CDCD	
CC[C@@H]1CN(C(=O)NCCc2ccc(N)cc2)CCO1	841957625	SYELTBKAGSNJKS-CQSZACIVSA-N	277.368	1.632	10	20	CDCD	
CN(Cc1cc(Cl)cc(Cl)c1O)C[C@@H](O)CN	841092280	LYKGVXFBOYDMHD-VIFPVBQESA-N	279.167	1.450	10	20	CDCD	
NCC[C@H](NC(=O)NCc1ccccc1O)C(F)(F)F	841335665	RLCSWIVGXBMRQS-JTQLQIEISA-N	291.273	1.471	10	20	CDCD	
CCN(C[C@H](C)OC)C(=O)NCCc1ccc(N)cc1	841955477	DIJFWAXSDGLZTD-LBPRGKRZSA-N	279.384	1.878	10	20	CDCD	
CN(CCO)c1ccc(/C=C\C(=O)O)cc1[N+](=O)[O-]	746988530	QJBZKPQCCCXDNN-HYXAFXHYSA-N	266.253	1.121	10	20	CDCD	
CCOC(=O)C[C@@H](C)CNC(=O)Nc1ccc(N)cc1	841297217	CLGMLFPILPIZHC-SNVBAGLBSA-N	279.340	1.980	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1CC[C@H](C(N)=O)C1	840907571	HLQLIRUHSWSDNU-ZDUSSCGKSA-N	261.369	1.368	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)N[C@H]2COC[C@H]2OC)c1	840826694	SIEYAGNIRJMYIO-LJWDBELGSA-N	295.335	1.243	10	20	CDCD	
COc1cc(O)c(CN[C@@H]2CC[C@H](CN)C2)cc1OC	841085272	XWVLPKBUBHDPON-CMPLNLGQSA-N	280.368	1.626	10	20	CDCD	
CC[C@H](C)C[C@H](CO)NC(=O)c1cccc(O)c1O	844032636	GKPXRDSBCBHGSF-VHSXEESVSA-N	267.325	1.625	10	20	CDCD	
CCCCOC(=O)COC(=O)/C=C\c1ccc(O)c(O)c1	759588941	PZOGFSYXWDZNEC-ALCCZGGFSA-N	294.303	1.998	10	20	CDCD	
C[C@@H](NC(=O)N(C)[C@H](C)C(=O)O)c1ccc(N(C)C)cc1	929041928	CJFXOIJMTMUXHL-GHMZBOCLSA-N	293.367	1.928	10	20	CDCD	
CCOC(=O)C(C)(C)C(=O)NCCc1ccc(O)c(O)c1	763226034	ZKJITFKYMYXKEN-UHFFFAOYSA-N	295.335	1.346	10	20	CDCD	
O=C(NCc1ccccc1O)C1(O)CCSCC1	765179063	YRUJSXYTLSQKQG-UHFFFAOYSA-N	267.350	1.267	10	20	CDCD	
C[C@@H](NC(=O)NC[C@H]1CCCO1)c1ccccc1O	864424029	HRFNDUYDBWBDQP-GHMZBOCLSA-N	264.325	1.931	10	20	CDCD	
CC[C@]1(C(=O)N(C)Cc2ccccc2O)CCNC1=O	866597482	TYKBVOJXZDFUES-HNNXBMFYSA-N	276.336	1.267	10	20	CDCD	
C[C@@H](NC(=O)NC[C@]1(C)CCC(=O)N1)c1ccccc1O	868691607	KQDWJDQJXWECRL-BMIGLBTASA-N	291.351	1.421	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2csc(CO)n2)cc1	864574938	ISSPDJQEZAQOCP-UHFFFAOYSA-N	291.376	1.631	10	20	CDCD	
Cc1nc(=NCc2ccc(N(C)C)c(F)c2)n(C)[nH]1	767291912	QKOASIIAFMSHCF-UHFFFAOYSA-N	263.320	1.363	10	20	CDCD	
CN(C)c1ccc(CN2CCSC[C@@H]2CO)cc1F	877779903	HWVQKTAAXXKIKC-LBPRGKRZSA-N	284.400	1.801	10	20	CDCD	
COCCCN(C)Cc1ccc(N2CCN(C)CC2)cc1	775663868	GOBGXSUQOHTMSE-UHFFFAOYSA-N	291.439	1.907	10	20	CDCD	
C[C@@H](NCC1OCCO1)c1ccc(N2CCOCC2)cc1	777722495	TZPKYUHOBLLBGL-CYBMUJFWSA-N	292.379	1.547	10	20	CDCD	
COCC1(O)CCN(Cc2cc(F)ccc2O)CC1	779021806	XVQRZACIIXCXTC-UHFFFAOYSA-N	269.316	1.505	10	20	CDCD	
C[C@]1(C(=O)NCc2cccc(O)c2O)CCCCO1	1123977663	KXHKLIWGYGGEPB-CQSZACIVSA-N	265.309	1.673	10	20	CDCD	
C[C@@H]1CN(CCNCc2cc(F)cc(F)c2O)CCO1	882984368	FVJZXIFUUHUHPH-SNVBAGLBSA-N	286.322	1.481	10	20	CDCD	
CN1CCN(c2ccc(CNC(=O)C3(C)CC3)cc2)CC1	881851560	WVKQWZNKHCTCFR-UHFFFAOYSA-N	287.407	1.855	10	20	CDCD	
Cc1ncc2n1C[C@H](C(=O)NCc1ccc(N)cc1)CC2	1122535743	GWZFJIWJVJHLRC-CYBMUJFWSA-N	284.363	1.653	10	20	CDCD	
C[C@@H](Nc1cnn(CC(=O)N(C)C)c1)c1ccccc1O	783532704	KQXXNGMTGSUFMB-LLVKDONJSA-N	288.351	1.850	10	20	CDCD	
CC[C@@H](CN1CCOCC1)NCc1cc(F)ccc1O	896621479	PXRIYVBDKVUIKO-AWEZNQCLSA-N	282.359	1.732	10	20	CDCD	
CO[C@@H]1CCC[C@@H]1CNC(=O)c1ccc(C)c(O)c1O	781014432	QQYFZZBQLKNKDG-ZYHUDNBSSA-N	279.336	1.951	10	20	CDCD	
OC[C@@]1(F)CCN(Cc2cc(F)cc(F)c2O)C1	894686927	YVSKMLQYJRCPQC-GFCCVEGCSA-N	261.243	1.577	10	20	CDCD	
COc1cc(C)cc(CNC[C@H](O)C2CC2)c1O	894766833	VCXOFQCLMVGFLT-LBPRGKRZSA-N	251.326	1.570	10	20	CDCD	
COc1ccc(CNC[C@H](OC)C2CC2)c(O)c1OC	894631096	AUQKRAKATGCUNM-ZDUSSCGKSA-N	281.352	1.924	10	20	CDCD	
CN(C)c1ccc(CN2CC(N3CCCC3=O)C2)cc1	897788979	CWBPGEYQZXZJJP-UHFFFAOYSA-N	273.380	1.559	10	20	CDCD	
COc1ccc(CNC(=O)c2ccc(F)nc2)c(O)c1	794374541	VXWZFSUUWNVPIJ-UHFFFAOYSA-N	276.267	1.865	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)c1cc([N+](=O)[O-])n[nH]1	797187962	ASVNGEUDFWKRIX-UHFFFAOYSA-N	276.252	1.296	10	20	CDCD	
COc1cccc(O)c1CNCC[C@H](C)N(C)C	895299027	FREPZPKGVZJQEE-NSHDSACASA-N	252.358	1.831	10	20	CDCD	
Nc1ccc(CN2CC[C@H](N3CCCC3=O)C2)cc1	1336116530	FMNSBMUONXZJEL-AWEZNQCLSA-N	259.353	1.466	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@H]2C[C@H]2C(=O)O)cc1	37792154	RPBCRLMQTQCHFM-NWDGAFQWSA-N	262.309	1.090	10	20	CDCD	
CCOc1cc(C(=O)NCc2cc(C)ccc2O)[nH]n1	1329176995	SRXIIGYNLRJVLR-UHFFFAOYSA-N	275.308	1.752	10	20	CDCD	
C[C@H](N[C@@H]1COCC[C@H]1O)c1ccc(F)cc1O	710894813	QLFJMXCGCYYJME-XXILOJSOSA-N	255.289	1.332	10	20	CDCD	
C[C@@H](O)CNCc1ccc(Br)cc1O	691397090	WPFUUJKVIBTMND-SSDOTTSWSA-N	260.131	1.625	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1C[C@H]1F	1338824389	HTASZQRQLRJFJL-WDEREUQCSA-N	264.300	1.836	10	20	CDCD	
COC[C@H]1CN(Cc2cc(Cl)ccc2O)CCO1	93528636	SHTVEFLQYSCSNI-GFCCVEGCSA-N	271.744	1.893	10	20	CDCD	
COc1ccc(S(=O)(=O)Nc2ccc(O)cc2F)cn1	795349212	WJZRAAOPQDTFQQ-UHFFFAOYSA-N	298.295	1.736	10	20	CDCD	
Nc1ccc(CN2CCC[C@H](Cn3ccnn3)C2)cc1	1335285857	SMRIBVWZDFCWHH-AWEZNQCLSA-N	271.368	1.773	10	20	CDCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2NCCN1CC[C@@H](O)C1	1261791743	ZKTYLNVPKDJFLH-MJBXVCDLSA-N	290.407	1.905	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2C[C@H](CN)C2)c1	1262600561	GESTVTJNPFINSN-DCAQKATOSA-N	293.367	1.498	10	20	CDCD	
C[C@@H](O)Cc1cn(Cc2ccc(N(C)C)cc2)nn1	1352984296	YCZWECAQWYCYGT-LLVKDONJSA-N	260.341	1.316	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NCc2ccnc(C)n2)c1	1351315689	POBOCWFCMBTKBU-UHFFFAOYSA-N	286.335	1.798	10	20	CDCD	
CC(=O)N[C@@](C)(C(=O)NCc1ccc(N)cc1)C(C)C	1515333173	OASWPWYFQPGZEM-OAHLLOKOSA-N	277.368	1.436	10	20	CDCD	
O=C(O)CCN(Cc1cc(F)ccc1O)C[C@H]1CCCO1	1602006508	FEKFKICEAJUQHQ-CYBMUJFWSA-N	297.326	1.987	10	20	CDCD	
Oc1c(CN2CC3(CCCNC3)C2)ccc(F)c1F	1580885662	JQIZQMCIPUQCCM-UHFFFAOYSA-N	268.307	1.856	10	20	CDCD	
C[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)C(=O)O	1589062775	LZXCWVHYXUSDIF-SSDOTTSWSA-N	278.268	1.300	10	20	CDCD	
COC[C@@H](NCc1cc(Cl)cc(OC)c1O)C(=O)O	1599176994	KBWDJKUFKKZNMP-SECBINFHSA-N	289.715	1.243	10	20	CDCD	
C[C@H](CO)N(C)C(=O)NCCCSc1nccs1	153199207	UGXRORNEGZTQMF-SECBINFHSA-N	289.426	1.648	10	20	CDCD	
CC(C)N(C)C[C@@H](O)CN(C)Cc1ccccc1O	821392193	VKAHNUVTFVRJLV-AWEZNQCLSA-N	266.385	1.525	10	20	CDCD	
CN(C)c1ccc(CNCCO[C@@H]2CCOC2)cc1	922942904	WNPVQKLMNHROCW-OAHLLOKOSA-N	264.369	1.648	10	20	CDCD	
C[C@@]1(C2CC2)COCCN1C(=O)Cc1ccc(N)cc1	1122400217	KRHUYXFZSWLKPC-INIZCTEOSA-N	274.364	1.839	10	20	CDCD	
CO[C@@]1(CN[C@H](C)c2ccc(F)cc2O)CCOC1	123284544	ZFJCQGSPRHEQRK-QMTHXVAHSA-N	269.316	1.987	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC[C@@]2(O)CCO[C@H]2C)c1	278909084	VQDLSILAAOKLPF-PGUXBMHVSA-N	281.352	1.591	10	20	CDCD	
Oc1cc2c(cc1CNC[C@@H]1CC[C@@H](O)C1)OCO2	188797504	OTNZEVLVQHBULE-MWLCHTKSSA-N	265.309	1.372	10	20	CDCD	
O=C1NCCCN1C1CCN(Cc2ccccc2O)CC1	179580232	MZWUDSYVDCZILE-UHFFFAOYSA-N	289.379	1.772	10	20	CDCD	
COc1cccc(CNC(=O)c2ccc[nH]c2=O)c1O	68488902	DMJGJLLADNOZJY-UHFFFAOYSA-N	274.276	1.019	10	20	CDCD	
O=C(CNCC1CC1)NCc1ccc(N2CCCC2)cc1	178710850	ZXSNVBOUPKLAKZ-UHFFFAOYSA-N	287.407	1.903	10	20	CDCD	
Cc1csc(CNC(=O)c2cccc(O)c2O)n1	126316545	CWJPOJWZELPALH-UHFFFAOYSA-N	264.306	1.793	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)c1ccc([N+](=O)[O-])o1	120413812	RILHLXWXUFHSBB-UHFFFAOYSA-N	292.247	1.572	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)[C@H](C)NC(C)=O)cc1	79390152	MHZAWXLEIDLUKE-LBPRGKRZSA-N	291.395	1.674	10	20	CDCD	
C[C@@H](NCC1(CO)COC1)c1ccc(F)c(F)c1O	187801282	IOLWYWILHDFHGV-MRVPVSSYSA-N	273.279	1.330	10	20	CDCD	
O=C(NCc1c(O)ccc2c1CCCC2)c1cnc[nH]1	266448552	CHGOWHXBHPNTOJ-UHFFFAOYSA-N	271.320	1.924	10	20	CDCD	
CN1CC[C@@H]2CCN(Cc3cc4c(cc3O)OCO4)[C@H]2C1	272253999	MBZOTFRTAGPLJN-YPMHNXCESA-N	290.363	1.647	10	20	CDCD	
C[C@@]1(NC(=O)/C=C/c2ccc(O)c(O)c2)CCOC1	272351076	AGPKXYKXZNAELO-LYKUJDHUSA-N	263.293	1.406	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@H]1CCc2[nH]ncc2C1	270254747	JGPTYYASXXRTCT-NSHDSACASA-N	285.347	1.879	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)CCCC(N)=O	274866607	CITZPJOWEIHJSZ-UHFFFAOYSA-N	250.298	1.006	10	20	CDCD	
CC[C@](C)(OC)C(=O)NCc1ccc(O)c(O)c1	280857376	RVUFDVXUCSKHBX-ZDUSSCGKSA-N	253.298	1.529	10	20	CDCD	
CC[C@H](NCc1cnnn1C)c1ccc(F)cc1O	287485499	XLGGYXQJZDSLGU-LBPRGKRZSA-N	264.304	1.901	10	20	CDCD	
COC(=O)C(C)(C)CCNC(=O)c1ccc(C)c(O)c1O	285884283	BNUJIWPKFAUVPL-UHFFFAOYSA-N	295.335	1.725	10	20	CDCD	
O=C(O)NCC(=O)NCc1ccc(N2CCCC2)cc1	285565603	GIIMFTWVERFGEK-UHFFFAOYSA-N	277.324	1.171	10	20	CDCD	
CN(C)[C@H]1CCCN(C(=O)c2c(F)ccc(O)c2O)CC1	296939046	XLTLSAKGKGRYLW-JTQLQIEISA-N	296.342	1.793	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H](C)CN(C)C	806819245	CCJQYPFFOYKKIL-ZDUSSCGKSA-N	292.427	1.810	10	20	CDCD	
C[C@H](NC1CC1)C(=O)NCc1ccc2c(c1)CCCN2C	295170151	LISMIINEWHAROO-LBPRGKRZSA-N	287.407	1.826	10	20	CDCD	
CC1(C)CS(=O)(=O)CCN1Cc1cc(F)ccc1O	813331282	HUMDNGPXQBGRRX-UHFFFAOYSA-N	287.356	1.540	10	20	CDCD	
COc1ccc(O)c([C@H](C)NCC2(N)CCC2)c1	817965183	QVJXLFDVTBFCPX-JTQLQIEISA-N	250.342	1.933	10	20	CDCD	
C[C@H](CCCCO)NC[C@H](N)c1ccc(N(C)C)cc1	817942568	PPIPTBDQWJPRRF-CJNGLKHVSA-N	279.428	1.893	10	20	CDCD	
COc1ccc2c(c1)CCCN2CC[S@](C)=O	827378216	NDOURZYZLFQGDE-KRWDZBQOSA-N	253.367	1.826	10	20	CDCD	
COCCN(CCC(=O)O)Cc1cc(OC)ccc1O	904270012	UMSMNCRKNWTHLQ-UHFFFAOYSA-N	283.324	1.324	10	20	CDCD	
C[C@H](OC(=O)c1cc(O)cs1)C(=O)NC(C)(C)C	731909781	KDDQIWIMPDWYSV-ZETCQYMHSA-N	271.338	1.914	10	20	CDCD	
COc1cc(Cl)cc(CNCCCON)c1O	904457118	OPSDZPWWGKERPY-UHFFFAOYSA-N	260.721	1.424	10	20	CDCD	
COc1cccc([C@H](C)NC[C@H]2CCN2C)c1O	903316048	MFMMSGLJHRTKIM-WDEREUQCSA-N	250.342	1.756	10	20	CDCD	
CC1(C)COC(=O)[C@@H]1NC(=O)/C=C\c1ccc(O)c(O)c1	837639565	YTTITCMHOMFJOJ-AGLBCWCQSA-N	291.303	1.179	10	20	CDCD	
CC(C)C[C@H](N)CC(=O)NCCc1ccc(N)cc1	911781892	DKVZNNVLQLLYIY-AWEZNQCLSA-N	263.385	1.691	10	20	CDCD	
Cc1noc([C@@H](C)NC(=O)c2cc(O)cs2)n1	731872298	CSIXNPVGWSQEBH-RXMQYKEDSA-N	253.283	1.636	10	20	CDCD	
COCc1noc(CN2CCCc3cc(CN)ccc32)n1	843350608	PTBRVSOVMYYHKZ-UHFFFAOYSA-N	288.351	1.628	10	20	CDCD	
CC(C)CN1C[C@H](C(=O)NCc2ccccc2O)CC1=O	748346066	LWDRFKSPTZIWAE-CYBMUJFWSA-N	290.363	1.513	10	20	CDCD	
C[C@H]1C[C@@H](C(=O)NCc2ccc(O)cc2O)CCO1	910948831	BEADCTNLZKNWJW-UWVGGRQHSA-N	265.309	1.529	10	20	CDCD	
COc1ccccc1N(C)C(=O)c1ccoc1CC(N)=O	671662978	GOASTQLUFPDTDO-UHFFFAOYSA-N	288.303	1.593	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)NC[C@@H]1CCCN1	841937153	NYXRACIBNXARGU-LBPRGKRZSA-N	263.341	1.286	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1CC(=O)N(C)C[C@@H]1C	840940232	WHLJSRZAKPVLMI-ZDUSSCGKSA-N	275.396	1.724	10	20	CDCD	
COc1ccc(N(C)CCN(C)C(=O)CN(C)C)cc1	846446085	IXYWYPPYYKKLDF-UHFFFAOYSA-N	279.384	1.151	10	20	CDCD	
CNC(=S)NCc1c(O)ccc2c1CCCC2	741876624	TUTPKISYSJAVBZ-UHFFFAOYSA-N	250.367	1.865	10	20	CDCD	
Nc1ccc(NC(=O)C(=O)NC[C@@H]2CCCCS2)cc1	841086896	QAYOIAPNTYJJHZ-LBPRGKRZSA-N	293.392	1.609	10	20	CDCD	
Fc1cc(CN[C@H]2CCNC2)ccc1N1CCOCC1	841045411	ULDUKHXRXPWBPL-ZDUSSCGKSA-N	279.359	1.114	10	20	CDCD	
COCCN(C[C@H](C)N)c1ccc(OC)c(OC)c1	843359033	DPGOYFSDIVPWCF-NSHDSACASA-N	268.357	1.504	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NCCO[C@H]2CCOC2)c1	927526857	QBSOFDYOYKEMFA-ZDUSSCGKSA-N	294.351	1.305	10	20	CDCD	
C[C@@H](CCCN)NCc1ccc(N2CCN(C)CC2)cc1	841081346	VBMIGSLHLRNQTA-HNNXBMFYSA-N	290.455	1.655	10	20	CDCD	
Oc1ccccc1CNC(=S)NCC(F)(F)F	751008872	RLSDOBZBIXIBBM-UHFFFAOYSA-N	264.272	1.919	10	20	CDCD	
COCC1(NC(=O)NCc2ccc(N(C)C)c(F)c2)CC1	766918196	LFQYCKHNHZGIPN-UHFFFAOYSA-N	295.358	1.870	10	20	CDCD	
Cc1ccc(CNC[C@H]2CCCN2CCCO)c(O)c1	877559602	POXQUPOJGHYBGU-OAHLLOKOSA-N	278.396	1.637	10	20	CDCD	
CCS(=O)(=O)CCNCc1c(C)cccc1O	877005576	ICUXFUSLLQGPQP-UHFFFAOYSA-N	257.355	1.225	10	20	CDCD	
CC[C@]1(C(=O)N[C@H](C)c2cc(OC)ccc2O)CCNC1	1118196939	GKAFLXZPXINMSQ-BZNIZROVSA-N	292.379	1.968	10	20	CDCD	
Cc1cc(C(=O)COC(=O)c2cc(O)cs2)on1	777055668	UFMSKAKUXFEMBE-UHFFFAOYSA-N	267.262	1.790	10	20	CDCD	
COc1ccc(O)c([C@@H](C)N[C@@H]2CCCNC(=O)C2)c1	877533348	NABVLIPZESCOIR-GHMZBOCLSA-N	278.352	1.720	10	20	CDCD	
CCNC(=O)CCC(=O)N[C@H](C)Cc1ccc(O)c(O)c1	773760650	JRTCFUOVTIOMBI-SNVBAGLBSA-N	294.351	1.061	10	20	CDCD	
C[C@H](NC[C@@H]1CN(C)CCN1C)c1c(O)cccc1F	886526182	HBRYVJHUBYWIEA-NWDGAFQWSA-N	281.375	1.428	10	20	CDCD	
Cc1cc(Cn2cc(Cn3cncn3)nn2)ccc1N(C)C	881378035	CEACXNGSMYLJJE-UHFFFAOYSA-N	297.366	1.341	10	20	CDCD	
COC(=O)[C@H](COC(C)C)N(C)Cc1ccccc1O	779032322	DONLUFZTEYZKOK-ZDUSSCGKSA-N	281.352	1.791	10	20	CDCD	
CN(C)c1ccc(CN2C[C@@H]3C[C@@]3(CO)C2)cc1F	783736004	UWLHGVOXTSRIAR-WFASDCNBSA-N	264.344	1.706	10	20	CDCD	
CCN(C)c1ccc(Cn2cc(CC(=O)OC)nn2)cc1	881313208	DBSANGHXPCDEJA-UHFFFAOYSA-N	288.351	1.498	10	20	CDCD	
CN(C)c1ccc(CNc2nccnc2CN)cc1F	1120889559	NDKFHXCUPAPZRH-UHFFFAOYSA-N	275.331	1.753	10	20	CDCD	
C[C@@H]1CCN(Cc2cc(F)cc(F)c2O)[C@H](C(N)=O)C1	894500429	NZTXTKRVQXLQKR-PELKAZGASA-N	284.306	1.756	10	20	CDCD	
Cc1ccc(C(=O)N[C@H](CCO)C2CC2)c(O)c1O	780984598	QPHGJXOPQHOETO-LLVKDONJSA-N	265.309	1.297	10	20	CDCD	
C[C@@H]1C[C@@H](NC(=O)NCc2cc(Cl)ccc2O)C(=O)O1	896367963	VUCYWLCHVMCXGS-GMSGAONNSA-N	298.726	1.549	10	20	CDCD	
Cc1cnn(C)c1/C=C1/C(=O)NN(c2ccccc2)C1=O	794706160	DYIJMNUXOOTGNI-WQLSENKSSA-N	282.303	1.190	10	20	CDCD	
O=C(c1c(F)ccc(O)c1O)N1CC(C(F)(F)F)C1	1327980423	KIEKINIQDFQJIA-UHFFFAOYSA-N	279.189	1.871	10	20	CDCD	
Nc1ccc(CCNC(=O)NC[C@@H]2CCCCCN2)cc1	1336906400	MEODTMZHZGTAHL-HNNXBMFYSA-N	290.411	1.643	10	20	CDCD	
Cc1ccc(O)c(CN(C)[C@@H](C)CS(C)(=O)=O)c1	93384962	NRVZLVFOJMNPKC-NSHDSACASA-N	271.382	1.566	10	20	CDCD	
CN(CCCCNC(=O)NCc1ccc(N)cc1)C1CC1	1346453952	VCAQZWCSCJEUBW-UHFFFAOYSA-N	290.411	1.942	10	20	CDCD	
C[C@@H](CN(C)C)NC(=O)NCc1ccc(N)cc1	1357417841	NMGLTGNVOTZEMV-JTQLQIEISA-N	250.346	1.018	10	20	CDCD	
COc1cccc(CNC[C@@H](C)N(C)C2CC2)c1O	105488008	VTKJRPLBBOUGPE-LLVKDONJSA-N	264.369	1.973	10	20	CDCD	
CC[C@@H](Sc1ncc(C(=O)O)s1)C(=O)OC	1595358379	DMRVTGGBUALJEZ-RXMQYKEDSA-N	261.324	1.885	10	20	CDCD	
CCCNC(=O)[C@H](C)N[C@H](C)c1cc(OC)ccc1O	36959690	HMTMSHSYJXZWAS-MNOVXSKESA-N	280.368	1.966	10	20	CDCD	
CC[C@H](CO)N(C)Cc1cc(F)cc(C(C)=O)c1O	293908456	HVKWSFIKHAOWFF-GFCCVEGCSA-N	269.316	1.937	10	20	CDCD	
COC[C@@](C)(O)CN[C@@H](C)c1cc(C)ccc1O	394590193	IDZKMTRLWNKBOY-FZMZJTMJSA-N	253.342	1.749	10	20	CDCD	
CC[C@@](C)(O)CNCc1ccc(N2CCOCC2)c(F)c1	111384931	ZAOKHSJWRWUMJK-MRXNPFEDSA-N	296.386	1.913	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2S(=O)(=O)C1CC1	174061965	AVNBRKYDQIDTQE-UHFFFAOYSA-N	282.365	1.444	10	20	CDCD	
CN(Cc1ccccc1O)c1cc(-n2cccn2)nc(N)n1	302687520	YPKHKUDKHMQIGC-UHFFFAOYSA-N	296.334	1.587	10	20	CDCD	
CC(C)CCC(=O)NCC(=O)N(C)Cc1ccccc1O	67154207	OCINUYORWGMUGI-UHFFFAOYSA-N	292.379	1.903	10	20	CDCD	
C[C@H](CCN1CCN(C)CC1)NCc1ccccc1O	185871500	SVWMWRSWTNYZDF-CQSZACIVSA-N	277.412	1.508	10	20	CDCD	
CCCN(Cc1cnn(C)n1)Cc1ccccc1O	289538879	CHGWXJFZMJTIMS-UHFFFAOYSA-N	260.341	1.933	10	20	CDCD	
COC[C@H](CNCc1ccc(N2CCOCC2)cc1)OC	227706473	ZYBPEYKTAYMQAC-INIZCTEOSA-N	294.395	1.274	10	20	CDCD	
O=C1N=C(S)S/C1=C\c1ccc(O)c(C(=O)O)c1	80690972	XOZKDODMNCRIEP-YWEYNIOJSA-N	281.314	1.991	10	20	CDCD	
C[C@H](C(=O)NCc1ccc(N2CCCC2)cc1)[C@@H](C)N	192098301	ZABZMIGZZFWCCD-QWHCGFSZSA-N	275.396	1.886	10	20	CDCD	
COC(=O)[C@@H]1CCC[C@H](C(=O)NCc2ccccc2O)C1	267503001	JIHDBPNJCWEBAY-NWDGAFQWSA-N	291.347	1.988	10	20	CDCD	
C[C@@H](NC(=O)NCc1ccccc1O)c1cnn(C)c1	266578883	WYMQFPVDVFNWHT-SNVBAGLBSA-N	274.324	1.686	10	20	CDCD	
CCS(=O)(=O)CCN[C@H](C)c1cc(OC)ccc1O	185330886	XMQOYEOSJCBSJB-SNVBAGLBSA-N	287.381	1.486	10	20	CDCD	
CCS(=O)(=O)CCN[C@@H](C)c1cc(OC)ccc1O	185330870	XMQOYEOSJCBSJB-JTQLQIEISA-N	287.381	1.486	10	20	CDCD	
Cc1ccc(C(=O)N[C@H]2CCO[C@@H](C)C2)c(O)c1O	272962137	JSUIOFLQRYRPSV-UWVGGRQHSA-N	265.309	1.704	10	20	CDCD	
COC(=O)[C@@H]1CCCN1Cc1cc(OC)c(OC)cc1O	271709442	GMNPNOMKWJQHHK-NSHDSACASA-N	295.335	1.547	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2cncn2C)cc1F	289717408	OGOVFRHFEBFWES-UHFFFAOYSA-N	276.315	1.555	10	20	CDCD	
CN(C)c1ccc(CN2CCC[C@H](S(N)(=O)=O)C2)cc1	377027780	IVDKFQRLONZJBJ-AWEZNQCLSA-N	297.424	1.006	10	20	CDCD	
CN(Cc1cc2c(cc1O)OCO2)[C@@H]1CCC[C@H]1O	289602905	KYLJBTCYCROMEW-GHMZBOCLSA-N	265.309	1.466	10	20	CDCD	
COCCN1CN(Cc2cc(C)c(C)cc2O)CC1=O	283080043	RELBWRYBHXXTSQ-UHFFFAOYSA-N	278.352	1.257	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@@H]1CCc2cnn(C)c2C1	282940983	YXDWOUDHKGSCSL-GFCCVEGCSA-N	299.374	1.889	10	20	CDCD	
CC(=O)C(=O)COC(=O)c1cc2c(s1)CCCC2	808484097	IWQCJUPUXDJVDV-UHFFFAOYSA-N	266.318	1.942	10	20	CDCD	
CC[C@@H](CO)N(C)CC(=O)NCc1ccc(N(C)C)cc1	298545677	YBMGVNOIPOKWCD-AWEZNQCLSA-N	293.411	1.072	10	20	CDCD	
COC(=O)c1cnc(NCc2ccc(OC)cc2O)nc1	804683531	YNSQJIIRIXOZBQ-UHFFFAOYSA-N	289.291	1.590	10	20	CDCD	
C[C@@H](CN[C@H]1CCc2cccc(O)c21)CN1CCOCC1	297540426	FBCUDQCWBSYTNT-ZFWWWQNUSA-N	290.407	1.937	10	20	CDCD	
OC[C@@H]1[C@H]2CN(Cc3cc(Cl)cc(F)c3O)C[C@H]21	814172615	VXFKCZSCXGCKRP-URLYPYJESA-N	271.719	1.855	10	20	CDCD	
CCn1cc(-c2n[nH]cc2C(=O)N(C)c2cnn(C)c2)cn1	574893816	XBULEBSSOCQVKN-UHFFFAOYSA-N	299.338	1.303	10	20	CDCD	
Oc1ccccc1CN1CCn2c(nnc2C(F)F)C1	827898932	WVNWOOXZWIRUSR-UHFFFAOYSA-N	280.278	1.937	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)C[C@H](N)C2CC2)c1	828668231	ZTAZXXOOFVZYJK-ZANVPECISA-N	278.352	1.705	10	20	CDCD	
C[C@@H](NC(=O)/C=C\CN1CCOCC1)c1ccccc1O	827947000	XYKDHRFSVVKKIV-LLPBQKLSSA-N	290.363	1.458	10	20	CDCD	
CCOCc1cc(CN[C@H](COC)C(=O)O)ccc1OC	901476336	AXEWDTAYPFKLCJ-CYBMUJFWSA-N	297.351	1.421	10	20	CDCD	
CCN1C[C@H](N[C@@H](C)c2cc(F)cc(F)c2O)CC1=O	834890730	PBBCAAICPHGWJP-WCBMZHEXSA-N	284.306	1.942	10	20	CDCD	
C[C@H](C[C@@H]1CCOC1)NC(=O)Cc1ccc(N)cc1	831299175	OOMNPIWSYFFNDP-YPMHNXCESA-N	262.353	1.743	10	20	CDCD	
O=C(c1cc(O)cs1)N1CC(Oc2ccncc2)C1	732285023	NTPBGRILBQFQPU-UHFFFAOYSA-N	276.317	1.752	10	20	CDCD	
O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H]1CCNC1	841831800	GBIQEBBHSLQRIQ-CQSZACIVSA-N	286.379	1.224	10	20	CDCD	
CCOC(=O)CN(C)Cc1cccc(CC)c1O	848881552	QVUMEEWOIXZNBQ-UHFFFAOYSA-N	251.326	1.950	10	20	CDCD	
CCOCCCNC(=S)NCCc1ccc(O)c(O)c1	916114562	WETMPKGXSAUIHI-UHFFFAOYSA-N	298.408	1.531	10	20	CDCD	
CCSCC[C@@H](C)NC(=O)C(=O)Nc1ccc(N)cc1	841054410	JUUDEVDHTBDNGM-SNVBAGLBSA-N	295.408	1.855	10	20	CDCD	
CCc1cccc(CNCCN2CCOC[C@H]2C)c1O	848898963	BEBSJAORMLITGL-CYBMUJFWSA-N	278.396	1.765	10	20	CDCD	
C[C@@H]1OCC[C@H]1C(=O)NCc1ccc(O)cc1O	910949334	JKZNODMWOMEFKB-GZMMTYOYSA-N	251.282	1.139	10	20	CDCD	
CCn1ccc(C(=O)NCc2ccc(N(C)C)cc2)n1	843519312	AVMWJBSDIOYWBJ-UHFFFAOYSA-N	272.352	1.899	10	20	CDCD	
CCN(CC(=O)N(C)C)Cc1cc(C)c(C)cc1O	749391891	HNKUMZJMBBPSOL-UHFFFAOYSA-N	264.369	1.919	10	20	CDCD	
Cc1ccc(C(=O)N[C@H](C)COCC2CC2)c(O)c1O	846527273	IKJAKWIZZCHANG-SNVBAGLBSA-N	279.336	1.951	10	20	CDCD	
CC1CCN(c2ccc(CNC(=O)NCCN)cc2)CC1	841792183	AYVKJAJYUWLCEJ-UHFFFAOYSA-N	290.411	1.681	10	20	CDCD	
CN(C)C1CCN(CCNC(=O)c2cc(O)cs2)CC1	748858311	XVIMGSXQLOSREU-UHFFFAOYSA-N	297.424	1.210	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@H](CO)CCF)c1	846210375	ZIWKYPWKFGIASL-ONGXEEELSA-N	285.315	1.550	10	20	CDCD	
Nc1ccc(CC(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)cc1	843495885	UXKIRUMEQUCWPE-NUEKZKHPSA-N	286.375	1.885	10	20	CDCD	
COC[C@@](C)(CC(=O)OC)NCc1cccc(C)c1O	757926339	LIFXZIZWYBHJFV-OAHLLOKOSA-N	281.352	1.758	10	20	CDCD	
Nc1ccc(CCNC(=O)N2CC[C@H]3C[C@H]3C2)cc1	851665574	VTMKMWYJOCYGIT-STQMWFEESA-N	259.353	1.863	10	20	CDCD	
CN1CC[C@H](N(C)Cc2cc(F)c(N(C)C)cc2F)C1=O	862247630	KGFYIVUUDFGGAE-ZDUSSCGKSA-N	297.349	1.693	10	20	CDCD	
CCn1cc(S(=O)(=O)N[C@H](C)c2ccccc2O)cn1	867833920	HQNWCDNBZVNAAB-SNVBAGLBSA-N	295.364	1.648	10	20	CDCD	
CCNC(=O)N1CCN(Cc2c(C)cccc2O)CC1	876553200	JSKKSHICHJHIRB-UHFFFAOYSA-N	277.368	1.548	10	20	CDCD	
Cc1ccc(CNC[C@@H]2CN3CCC[C@H]3CO2)c(O)c1	877021593	GRVQEPWCIOAOKF-LSDHHAIUSA-N	276.380	1.653	10	20	CDCD	
Cc1cccc(O)c1CNC[C@@](C)(O)C(=O)OC(C)(C)C	877370077	QDCBAZHOOUXEPQ-MRXNPFEDSA-N	295.379	1.883	10	20	CDCD	
C[C@@H](NC(=O)CSCC(=O)O)c1ccc(N(C)C)cc1	872860548	ZHRDIOYENYSXBW-SNVBAGLBSA-N	296.392	1.748	10	20	CDCD	
CCO[C@@H]1C[C@@H](NCc2c(C)cccc2O)[C@H]1OC	877352250	WRKSJOUPNHCOLK-BPLDGKMQSA-N	265.353	1.983	10	20	CDCD	
COc1cccc(CNC(=O)NCc2conc2C)c1O	875953003	ICUACJRCXBVENS-UHFFFAOYSA-N	291.307	1.697	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)Nc1cccnc1O	779507092	WCYPOFUXVMECES-XQRVVYSFSA-N	272.260	1.850	10	20	CDCD	
COC1CC(C(=O)NC[C@H](N)c2ccc(N(C)C)cc2)C1	876507301	ZYLOFSRQKCFPRL-ZALBZXLWSA-N	291.395	1.294	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N[C@H]1CCN(C2CC2)C1	779499312	MVHQIPPQHAQEOG-QSLRECBCSA-N	288.347	1.464	10	20	CDCD	
CCN(C)c1ccc(CN(CCOC)[C@@H](C)C(N)=O)cc1	773756454	LNSGMYICKKYMMU-ZDUSSCGKSA-N	293.411	1.465	10	20	CDCD	
CC(C)[C@@](C)(O)C(=O)NCc1ccc(N(C)C)c(F)c1	771297648	XXSUZOODRZVEGU-OAHLLOKOSA-N	282.359	1.915	10	20	CDCD	
C[C@@H](O)C[C@@H](C)NC(=O)NCc1ccc(N(C)C)cc1	782912363	IOPBOQWKWHNGNL-VXGBXAGGSA-N	279.384	1.711	10	20	CDCD	
C/C=C/C[C@H](CO)NCc1c(O)cccc1OC	883090042	AUQFGMRGEUIQMN-PGLGOXFNSA-N	251.326	1.818	10	20	CDCD	
COc1cc(C)cc(CNC[C@H]2CCOC[C@H]2OC)c1O	894887561	FQWBFQQFBDPFJN-IUODEOHRSA-N	295.379	1.850	10	20	CDCD	
CCN(CC)S(=O)(=O)N[C@H](C)c1ccccc1O	867834946	WHIRPTCTTWPBCA-SNVBAGLBSA-N	272.370	1.629	10	20	CDCD	
CCn1ccc(CNCc2ccc(OC)c(OC)c2O)n1	894894001	LCGOIYHRPLBMEC-UHFFFAOYSA-N	291.351	1.916	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1C[C@@H](N)C1	892564240	ANRZCMNHJUUUTF-OKILXGFUSA-N	290.411	1.631	10	20	CDCD	
CC(C)C(=O)NCCC1=CCN(c2nccnc2F)CC1	1089812779	YRMJGAPLNFJGLJ-UHFFFAOYSA-N	292.358	1.915	10	20	CDCD	
CCNC(=O)NC(=O)[C@H](C)N(C)Cc1ccccc1O	109770064	QMTBCUTZOPJYQU-JTQLQIEISA-N	279.340	1.058	10	20	CDCD	
CCOC(=O)[C@H](C[C@H]1CCCO1)NCc1ccc(N)cc1	1336286217	PFSBDENOTKPYHL-CABCVRRESA-N	292.379	1.859	10	20	CDCD	
COC(=O)N1CCN(Cc2cc(C)ccc2O)CC1	92217348	IWOCVTBCKYUYNE-UHFFFAOYSA-N	264.325	1.585	10	20	CDCD	
CCc1cc(C(=O)NCc2cccc(O)c2O)nn1C	1347542733	QKQZLJSVTWQXPR-UHFFFAOYSA-N	275.308	1.324	10	20	CDCD	
CC(C)C[C@H](O)CNC(=O)NCc1ccc(N)cc1	1357791486	NAPAJHDCHGCHGF-ZDUSSCGKSA-N	265.357	1.475	10	20	CDCD	
CN1[C@H]2CC[C@H]1CC(NC(=O)NCc1ccc(N)cc1)C2	1357434451	LDWWMMOJXAJYTI-GJZGRUSLSA-N	288.395	1.693	10	20	CDCD	
CC[C@@H](C)N(CC(=O)O)C(=O)c1ccc(C)c(O)c1O	1604959977	BBVZDOAGNWJMKV-SECBINFHSA-N	281.308	1.732	10	20	CDCD	
Cc1ccc(O)c([C@@H](C)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O)c1	1600465174	QCOJRVUIOZXARW-VWYCJHECSA-N	294.351	1.329	10	20	CDCD	
C[C@H](NC(=O)[C@H]1C[C@@H](N)[C@@H]2C[C@H]12)c1ccccc1O	1579482484	BRCDJVOIVPRVDY-AHRFKUBPSA-N	260.337	1.553	10	20	CDCD	
COc1cccc(CNC(=O)[C@H]2CC[C@H]2C(=O)O)c1O	1599672811	DYLFGOXUKUIBTA-VHSXEESVSA-N	279.292	1.128	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)CC(=O)O)cc1	1596289862	RSUZIDNGPZCKQX-UHFFFAOYSA-N	264.325	1.624	10	20	CDCD	
CCN(CC)c1ccc(CN[C@@H]2COC[C@@H]2C(=O)O)cc1	1776862096	AMSBFOBQRSMMBX-LSDHHAIUSA-N	292.379	1.722	10	20	CDCD	
CN(C)c1ccc(CNC(=O)C2(CN)CCOCC2)cc1	166042816	GULAICGYZUDUTE-UHFFFAOYSA-N	291.395	1.124	10	20	CDCD	
COC(=O)[C@H]1C[C@@H](C(=O)NCc2ccccc2O)C1	1120621803	HIOLTPXWCNJTTK-PHIMTYICSA-N	263.293	1.208	10	20	CDCD	
C[C@H](NCc1ccc2c(c1)CCO2)c1ncn(C)n1	275846073	QXMVJNGGCJAOSB-JTQLQIEISA-N	258.325	1.601	10	20	CDCD	
Nc1ccc(CC(=O)NC2[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)cc1	300407491	NCVYSUUNGNOAKZ-UOVKNHIHSA-N	256.349	1.972	10	20	CDCD	
C[C@H](NCc1cnn(C)n1)c1ccc(N(C)C)cc1	389812774	IVCFXALLJIFFTH-NSHDSACASA-N	259.357	1.732	10	20	CDCD	
CN(C[C@H]1CCS(=O)(=O)C1)c1ccc(N)cc1	863558658	RSBVLVRPCHXVPV-SNVBAGLBSA-N	254.355	1.140	10	20	CDCD	
C[C@H]1CN(C(=O)CN(C)Cc2ccccc2O)C[C@@H](C)O1	111235098	LSVJMRXALDOGIW-BETUJISGSA-N	292.379	1.460	10	20	CDCD	
COCCCNC(=O)NCCCSc1nccs1	177549886	WUSLTQWYEPXSDO-UHFFFAOYSA-N	289.426	1.961	10	20	CDCD	
COc1cccc(CNC(=O)NC[C@H](OC)C(C)C)c1O	74938677	UOKJZDOJUKACTI-ZDUSSCGKSA-N	296.367	1.871	10	20	CDCD	
COCC[C@](C)(O)CN[C@@H](C)c1ccccc1O	183516258	ABVFVJWWPODVMB-FZMZJTMJSA-N	253.342	1.830	10	20	CDCD	
C[C@](O)(CNC(=O)c1cccc(O)c1O)c1ccccc1	187094884	AVXJRFVIVWFXNQ-INIZCTEOSA-N	287.315	1.735	10	20	CDCD	
CCO[C@H]1C[C@H]1C(=O)NCCc1ccc(O)c(O)c1	179091062	NDTBISIFNVRBRP-MFKMUULPSA-N	265.309	1.182	10	20	CDCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2N[C@@H]1COC[C@H]1O	323161643	JENYJBAVVXDNEL-PRULPYPASA-N	263.337	1.598	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2cn3cccnc3n2)cc1	47572430	LWYWLOCUYNYIGY-UHFFFAOYSA-N	295.346	1.725	10	20	CDCD	
CC[C@H](CCO)CNC(=O)Cc1ccc(N)cc1	94950199	NXJOWENOFVZUIS-LLVKDONJSA-N	250.342	1.336	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)[C@@H](C)S(C)(=O)=O	265213036	RRIVFEJTQBMMJS-LLVKDONJSA-N	299.392	1.564	10	20	CDCD	
CC(C)CN1CC(=O)N[C@@H]1c1ccc(N(C)C)c(F)c1	263934872	MSVBBPZZXQJOCH-HNNXBMFYSA-N	279.359	1.978	10	20	CDCD	
CO[C@H]1CCN(C(=O)c2ccc(C)c(O)c2O)C1	272723104	HWBOHEHSURGOJK-VIFPVBQESA-N	251.282	1.267	10	20	CDCD	
COCC1(O)CCN(Cc2cccc(OC)c2O)CC1	271192162	PVGJJUAZFNLMRP-UHFFFAOYSA-N	281.352	1.374	10	20	CDCD	
CN(CCNC(=O)/C=C/c1ccc(O)c(O)c1)C1CC1	272366489	CUXZGJIJNUPMQG-XVNBXDOJSA-N	276.336	1.321	10	20	CDCD	
CC[C@@H](O)CCN[C@H](C)c1cc(C(=O)OC)ccc1O	273590542	PCCNTBPVNIQQIV-ZYHUDNBSSA-N	281.352	1.990	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccn(C)c1	274949142	RGRXFQYXJRMJDK-JTQLQIEISA-N	274.320	1.797	10	20	CDCD	
CCCC(=O)N1CCC[C@H]1C(=O)NCc1ccc(N)cc1	297243761	QBTJHRLDBPHRQH-AWEZNQCLSA-N	289.379	1.676	10	20	CDCD	
O=C(NCc1ccc(N2CCOCC2)cc1)c1cnc[nH]1	299605015	GRZTVBBVDUHYGT-UHFFFAOYSA-N	286.335	1.176	10	20	CDCD	
CN(C)c1ccc(CNCc2cnn(C)n2)cc1F	290156101	PLPRXZAUEQNGIK-UHFFFAOYSA-N	263.320	1.310	10	20	CDCD	
CCN(C(=O)c1ccccc1CCNC)c1cnn(C)c1	655521948	LYBPEVICIFVZQD-UHFFFAOYSA-N	286.379	1.849	10	20	CDCD	
Cc1noc([C@@H](C)NCc2cc3c(cc2O)OCO3)n1	729684560	RTASEGFJKSVXEW-SSDOTTSWSA-N	277.280	1.663	10	20	CDCD	
Cc1cc(O)c(CNC[C@@H]2CCCN2CCCO)cc1C	824559598	WETWODYWGKDWFL-INIZCTEOSA-N	292.423	1.945	10	20	CDCD	
CCn1cc(CNC(=O)N(C)Cc2ccccc2O)nn1	821733144	WRYJNJMCPNBELL-UHFFFAOYSA-N	289.339	1.345	10	20	CDCD	
O=C(N[C@H](C1CC1)[C@H](CO)C1CC1)c1cc(O)cs1	834020241	GNGJLMSCPCNZHI-DGCLKSJQSA-N	281.377	1.981	10	20	CDCD	
CCCN(CCO)c1ccc(/C=C/C(=O)O)cc1[N+](=O)[O-]	737020400	XXOQCQMEXCUIQZ-GQCTYLIASA-N	294.307	1.901	10	20	CDCD	
CC(C)(O)C(C)(C)CNC(=O)NCc1ccccc1O	836653268	LKLBGRZJIYHPSG-UHFFFAOYSA-N	280.368	1.989	10	20	CDCD	
C[C@H](Cc1cnn(C)c1)NC(=O)NCc1ccccc1O	836630653	ZEJRVQYYUIENSS-LLVKDONJSA-N	288.351	1.556	10	20	CDCD	
COc1ccc(O)c(CNC(=O)N[C@H]2COC[C@@H]2C)c1	918745319	KGKXVGDQFVVLLK-CABZTGNLSA-N	280.324	1.235	10	20	CDCD	
CN(C)CCCN(C)C(=O)NCCc1ccc(N)cc1	841960819	XOMHRRBFKXGCKH-UHFFFAOYSA-N	278.400	1.404	10	20	CDCD	
COC[C@H](NC(=O)NCCc1ccc(N)cc1)C1CC1	841864785	XLOUWCBOLZHEOT-AWEZNQCLSA-N	277.368	1.536	10	20	CDCD	
CNC(=O)C1(C(=O)NCc2cc(Cl)ccc2O)CCC1	846475758	IJCNKMGBDRAOGD-UHFFFAOYSA-N	296.754	1.578	10	20	CDCD	
O=C(N[C@@H]1CCN(CC(F)F)C1)c1cc(O)cs1	842277403	JBEIHFVQLWZUPY-SSDOTTSWSA-N	276.308	1.523	10	20	CDCD	
CCOc1ccc(CN2[C@@H](C)CNC[C@H]2C)c(O)c1	843063462	BHWODTOCIKNQGE-TXEJJXNPSA-N	264.369	1.973	10	20	CDCD	
O=C(NCc1ccccc1O)N[C@H]1CCN(CC(F)F)C1	841594604	MEMXSLFTMVGEGJ-NSHDSACASA-N	299.321	1.531	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N[C@H](CO)CCF)cc1	844780483	CVEWLURDWRUDEE-LBPRGKRZSA-N	283.347	1.272	10	20	CDCD	
Cn1nnc2c1CC[C@@H](N[C@H]1CCc3cccc(O)c31)C2	848563893	YQSYFAFCKARMIU-NEPJUHHUSA-N	284.363	1.655	10	20	CDCD	
CON(C)C(=O)NCc1ccc(N(C)C)cc1C	753522998	OBDDFBZKFLHFSX-UHFFFAOYSA-N	251.330	1.764	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)NCC(C)(C)CO)c1	756756724	AFUQLVGXMMASEQ-SNVBAGLBSA-N	281.352	1.848	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc[n+]([O-])cc1	753636211	KUPMDMYYPXFIDY-SNVBAGLBSA-N	288.303	1.092	10	20	CDCD	
CCOC(=O)[C@H](C)OC(=O)/C=C/c1ccc(O)c(O)c1	759577554	BDQIDLMJFOBLMJ-IWGCBNPKSA-N	280.276	1.606	10	20	CDCD	
C[C@@H](N[C@@H]1CC(=O)N(C)C1)c1cc(F)cc(F)c1O	756524453	FTMNVAOKHOWCDG-VXNVDRBHSA-N	270.279	1.552	10	20	CDCD	
CN(C)c1cc(F)c(CNC[C@]2(C)CCC(=O)N2)cc1F	858175804	WMXGTOKGLRSSOG-HNNXBMFYSA-N	297.349	1.789	10	20	CDCD	
CNS(=O)(=O)CCCNCc1cc(Cl)ccc1O	865706508	AUJQOFYIUXGACS-UHFFFAOYSA-N	292.788	1.075	10	20	CDCD	
COC(=O)[C@H](C)N(C)C(=O)/C=C\c1ccc(O)c(O)c1	862822082	DBKXYYHDWGSVOD-PGBBXKAQSA-N	279.292	1.131	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)Cc2nnc(C)o2)c1	862756384	WTHUBIKNQROWIP-UHFFFAOYSA-N	261.281	1.251	10	20	CDCD	
CC[C@@H](NC[C@@H]1COCCN1)c1ccc(N(C)C)cc1	863544661	AVTAJHJWDZIPEM-GDBMZVCRSA-N	277.412	1.782	10	20	CDCD	
CC(=O)N[C@H]1CCN(Cc2cc(F)c(N(C)C)cc2F)C1	862396416	PDAMANMSDUJPTG-LBPRGKRZSA-N	297.349	1.741	10	20	CDCD	
CCS(=O)(=O)C[C@H](C)N(C)Cc1ccc(C)cc1O	876741257	XBOPZLZJGPCHCH-LBPRGKRZSA-N	285.409	1.956	10	20	CDCD	
C[C@@H]1N(Cc2cc3c(cc2O)OC[C@@H]3O)CCOC1(C)C	768461577	DLQWQKNNZGTNQH-HZMBPMFUSA-N	293.363	1.817	10	20	CDCD	
OCCCN(CCO)Cc1ccc(N2CCCC2)cc1	1116443811	IIMZLROJRIEXEV-UHFFFAOYSA-N	278.396	1.464	10	20	CDCD	
Cc1ccc(CN(C)Cc2nnc3c(=O)[nH]ccn23)c(O)c1	1119516866	JJTNTLWHIHPOPG-UHFFFAOYSA-N	299.334	1.064	10	20	CDCD	
Cc1ccc(CN2C[C@@H](C)O[C@@H](CO)C2)c(O)c1	877466218	FGYKVQZFJSJWHD-DGCLKSJQSA-N	251.326	1.282	10	20	CDCD	
OCC[C@@H]1CCCN1Cc1ccc(N2CCOCC2)cc1	779202609	QHQUGISGEVBQNV-INIZCTEOSA-N	290.407	1.870	10	20	CDCD	
Oc1c(F)cc(F)cc1CNCCCO[C@H]1CCOC1	883037772	LGDFVYOSTPCELM-LBPRGKRZSA-N	287.306	1.956	10	20	CDCD	
CC[C@@](C)(O)CNC(=O)NCc1ccc(N)cc1	1120592423	WQUSQJKJSGOKKJ-CYBMUJFWSA-N	251.330	1.229	10	20	CDCD	
COc1cc(C)cc(CNCC2CC3(C2)OCCO3)c1O	896908775	JCXBWJWGWGWZOE-UHFFFAOYSA-N	293.363	1.952	10	20	CDCD	
COc1ccc(CNCCc2n[nH]c(C)n2)c(O)c1OC	893460298	GRLXUTKZUCQGAB-UHFFFAOYSA-N	292.339	1.168	10	20	CDCD	
COc1ccc(CN(C)Cc2nnc(C)o2)c(O)c1OC	895353832	WEIQSWZLNATZHO-UHFFFAOYSA-N	293.323	1.733	10	20	CDCD	
COc1ccc(O)c(CN(CC(N)=O)C2CCCC2)c1	132986672	NEXZRPLCBWPOHF-UHFFFAOYSA-N	278.352	1.631	10	20	CDCD	
CCCN(Cc1ccc(N)cc1)[C@H]1CC(=O)N(C)C1=O	1345160684	XRZDVIJSAODHHO-ZDUSSCGKSA-N	275.352	1.238	10	20	CDCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2NCCOCCO	20198973	GLOOUJWMGSDPGS-VXGBXAGGSA-N	265.353	1.847	10	20	CDCD	
C[C@@H](c1nnc(N(C)Cc2ccccc2O)n1C)[N+](=O)[O-]	1339669113	RWMIBZIBRPUAGV-VIFPVBQESA-N	291.311	1.495	10	20	CDCD	
O=C(NCc1cccc(O)c1O)[C@@H]1CCCC12OCCO2	1347541690	GAGMCJPQKSMMAF-NSHDSACASA-N	293.319	1.257	10	20	CDCD	
CCN(CC)C(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	1342715644	VZDXABRIVDACAB-LBPRGKRZSA-N	291.395	1.798	10	20	CDCD	
CC(C)NCCC(=O)NCc1c(O)cccc1F	1342537963	UXQNFGCPPNHGLI-UHFFFAOYSA-N	254.305	1.536	10	20	CDCD	
CCN(CC(=O)O)Cc1ccc(N2CCC(O)CC2)cc1	1605415757	PXYSVLALQNZZIR-UHFFFAOYSA-N	292.379	1.554	10	20	CDCD	
C[C@@H](CC(=O)O)NCc1cc(F)c(N(C)C)cc1F	1603132822	DKOOFRHEAVJLBX-QMMMGPOBSA-N	272.295	1.984	10	20	CDCD	
O=C(NCc1cccc(Cl)c1O)NC1CC(C(=O)O)C1	1601541484	SCMUCHTWCOWLDQ-UHFFFAOYSA-N	298.726	1.708	10	20	CDCD	
COc1cc(N2CC[C@H](O)[C@H](C)C2)c([N+](=O)[O-])cc1OC	167114939	SZTSHMZIJPSCIL-SKDRFNHKSA-N	296.323	1.819	10	20	CDCD	
C[C@@H]1O[C@H](C)[C@@H](C(=O)NCc2ccc(N)cc2)[C@@H]1C	226710251	QWNOPGFWQYOVKY-DEKYYXRVSA-N	262.353	1.945	10	20	CDCD	
C[C@H](N[C@@H]1COC[C@H]1O)c1ccc2ccccc2c1O	323317377	SOIWSMMHDIJNLE-COLVAYQJSA-N	273.332	1.956	10	20	CDCD	
COC[C@@H](O)CCNCc1cc(F)cc(F)c1O	708455162	UOXNPKKBAQBESC-JTQLQIEISA-N	261.268	1.157	10	20	CDCD	
CCN1CCN(c2ccc(CNC(=O)NC)cc2F)CC1	171693519	ZOWUCFFIPIKEAY-UHFFFAOYSA-N	294.374	1.397	10	20	CDCD	
Cc1cc(CNC(=O)c2ccc(C)c(O)c2O)on1	182234775	RBKLPZHNXFNMRT-UHFFFAOYSA-N	262.265	1.633	10	20	CDCD	
CCOc1cccc(CNCc2cnnn2CC)c1O	527729528	ZFIDEEQEHZGRNJ-UHFFFAOYSA-N	276.340	1.692	10	20	CDCD	
C[C@@H](N)[C@@H]1CN(Cc2c(O)cccc2Cl)CCO1	132625739	GMZRGJMKAGHYHO-RNCFNFMXSA-N	270.760	1.594	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2cncnc2)cc1	82268996	LTHYHJBEIKWIOC-UHFFFAOYSA-N	256.309	1.473	10	20	CDCD	
CS[C@H](C)C(=O)NCc1ccc(N2CCOCC2)cc1	48944316	AXTBCCVNPOTULW-GFCCVEGCSA-N	294.420	1.891	10	20	CDCD	
C[C@@H]1OCC[C@]1(O)CNCc1cccc(Cl)c1O	228094329	CKYGOYUEVKTCQZ-ZANVPECISA-N	271.744	1.675	10	20	CDCD	
OCc1ccc(CNCc2cc3c(cc2O)OCO3)cc1	227463258	YBSPBQZBWDTURV-UHFFFAOYSA-N	287.315	1.903	10	20	CDCD	
O=C(Nc1cnn(CC2CC2)c1)c1cccc(O)c1O	193109536	UHUWZTXHFVTWOC-UHFFFAOYSA-N	273.292	1.957	10	20	CDCD	
COc1cccc(CN2CCO[C@@H]([C@@H]3CCCO3)C2)c1O	91927840	WHKUQZJOHJSEED-DZGCQCFKSA-N	293.363	1.781	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1cnc[nH]1	266305026	BJHBAUPKAXIBMZ-UHFFFAOYSA-N	272.308	1.515	10	20	CDCD	
Cc1cc(O)c(CNC[C@]2(O)CCSC2)cc1C	267009476	GGPDPCIGOHNVNI-CQSZACIVSA-N	267.394	1.967	10	20	CDCD	
CN(C)c1ccc(CNC2(CO)CCOCC2)cc1F	265273618	VFHNFUCDPRJTFF-UHFFFAOYSA-N	282.359	1.523	10	20	CDCD	
COc1ccc(O)c(CN2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)c1	364972806	LMVKYLSWDGQPGL-XEGUGMAKSA-N	290.363	1.487	10	20	CDCD	
COC[C@@H]1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2O)C1	278309961	WPSVAQXHVBXHFJ-SNVBAGLBSA-N	296.323	1.777	10	20	CDCD	
CN(C(=O)c1c[nH]nc1-c1cccnc1)c1ccn(C)n1	547488380	YCDZPSDTLWOQKR-UHFFFAOYSA-N	282.307	1.482	10	20	CDCD	
Cc1nnsc1CNC(=O)N(C)Cc1ccccc1O	292828334	BJBAQPDJJSROSD-UHFFFAOYSA-N	292.364	1.894	10	20	CDCD	
CC(=O)C(=O)COC(=O)c1ccc2c(c1)NC(=O)CS2	808484381	PEKQEAOUSRYFAN-UHFFFAOYSA-N	293.300	1.046	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[C@@H](CO)CC1	294719498	YNULTIHYGVFPIF-DIECRNLCSA-N	291.347	1.732	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@@H](O)C(C)C)c1	813488889	IHJFGUAIZLQECS-LBPRGKRZSA-N	253.298	1.034	10	20	CDCD	
C[C@@H]1C[C@@H](NC[C@H](N)c2ccc(N(C)C)cc2)CCO1	817944303	ZAZRVSYAPNGRNO-INWMFGNUSA-N	277.412	1.910	10	20	CDCD	
Cc1cc(CN2CCNC(=O)C[C@H]2C)ccc1N(C)C	815078596	CMHLKIKNVPBTFY-CYBMUJFWSA-N	275.396	1.771	10	20	CDCD	
CCS(=O)(=O)CCNCc1ccc(N2CC=CC2)cc1	819094395	FZPLXUMZXKTZOM-UHFFFAOYSA-N	294.420	1.587	10	20	CDCD	
CC[C@H](CS(=O)(=O)Nc1ccc(O)c(F)c1F)OC	817352381	GMDYGTSEHYKKGJ-SSDOTTSWSA-N	295.307	1.837	10	20	CDCD	
C[C@H](NCCN)c1cc(Br)cc(F)c1O	817934610	LHQGEUVFOMKNEK-LURJTMIESA-N	277.137	1.903	10	20	CDCD	
CCNC(=O)CNCc1ccc(OCC)cc1O	725841790	NMIRFEGKFRHRQW-UHFFFAOYSA-N	252.314	1.017	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)c2cnn(C)c2)c1	728980086	VHDMTBZEBPOELW-VIFPVBQESA-N	275.308	1.625	10	20	CDCD	
Cc1cc(O)c(CNCc2cnnn2C)cc1Cl	825940096	LTXNHEUVFGTXJB-UHFFFAOYSA-N	266.732	1.772	10	20	CDCD	
CC[C@@H](NC)C(=O)N1CCOc2cc(N(C)C)ccc21	662753541	SUZXALYFQJBYAC-GFCCVEGCSA-N	277.368	1.476	10	20	CDCD	
Nc1ccc(Cc2noc([C@@H]3[C@@H]4CCC(=O)[C@@H]43)n2)cc1	904078244	WMBHFSKEHNOYAL-LERXQTSPSA-N	269.304	1.935	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2C[C@@H]2C(=O)O)c1	738041445	JUSVCIQVGNFFQH-XROYCOCOSA-N	279.292	1.299	10	20	CDCD	
C[C@H](N)CC(=O)NCc1c(O)ccc2c1CCCC2	830597551	NYHGXUFHSWZTES-JTQLQIEISA-N	262.353	1.625	10	20	CDCD	
CC[C@H](C(=O)O)C(=O)N[C@@H](C)c1cc(OC)ccc1O	911343659	RZHNBJKGRWCXDN-WPRPVWTQSA-N	281.308	1.689	10	20	CDCD	
COC[C@@H](C)CC(=O)NCc1ccc(O)cc1O	910950935	LOROTWKDGYFABI-VIFPVBQESA-N	253.298	1.387	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNC[C@@H](N)C(C)C)c1O	841028654	BWUHCEOMUFWHDC-SNVBAGLBSA-N	283.328	1.382	10	20	CDCD	
CCc1nc(C)c(C(=O)NCc2ccc(O)cc2O)o1	910945456	WRWJHEMDACMTSY-UHFFFAOYSA-N	276.292	1.887	10	20	CDCD	
CC[C@@H](C)[C@](C)(O)CNC(=O)NCCc1ccc(N)cc1	841955188	VFOATCKLOSPIBP-MLGOLLRUSA-N	293.411	1.908	10	20	CDCD	
COc1cc(CNCCOCCO)c(O)c(C(C)(C)C)c1	850010204	FKPSUXAZVKMXJF-UHFFFAOYSA-N	297.395	1.797	10	20	CDCD	
CCN(CC)c1ccc(CN[C@H]2CNCCOC2)cc1	925479755	JVSYFUBNEJMUHI-HNNXBMFYSA-N	277.412	1.611	10	20	CDCD	
C[C@@H](NCCN1CC[C@@H](O)C1)c1cc(F)ccc1O	858548850	QAMYAYAMWRSXNG-ZYHUDNBSSA-N	268.332	1.249	10	20	CDCD	
C=CC(=O)N(C)CC(=O)NCc1ccc(N(C)C)c(F)c1	858916758	PLXDXVUMUSYAPF-UHFFFAOYSA-N	293.342	1.152	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1cnc(O)n1C	864633797	LRXCVSQVZOJDFX-UHFFFAOYSA-N	288.351	1.464	10	20	CDCD	
OCCCN(Cc1ccccc1O)C[C@H]1CCCO1	70976408	AIFMYUGCVWQZJR-CQSZACIVSA-N	265.353	1.756	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@H](C)n2cncn2)c1	862758410	YDYMAJDNCXUUKS-JTQLQIEISA-N	260.297	1.170	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@@H]2CCN(C)[C@@H]2C)c1	862754790	KKASTFRSARLNSX-DGCLKSJQSA-N	262.353	1.657	10	20	CDCD	
COCC[C@](C)(O)CNCc1ccc(C)cc1O	877035657	ZPNJJNIBVSQWSX-AWEZNQCLSA-N	253.342	1.578	10	20	CDCD	
Cc1cccc(O)c1CNC[C@@H]1CN2CCC[C@@H]2CO1	877022717	QPNZZALTXCWWNW-ZIAGYGMSSA-N	276.380	1.653	10	20	CDCD	
COC[C@H](C)N1CCN(c2ccc(OC)cc2OC)CC1	879461080	BXPQLLDNHHQDII-ZDUSSCGKSA-N	294.395	1.861	10	20	CDCD	
COc1nn(C)cc1C(=O)NCc1cc(C)ccc1O	883974007	LMEWQIBJMFORBC-UHFFFAOYSA-N	275.308	1.373	10	20	CDCD	
COC(=O)[C@@H]1CCN(C(=O)c2cc(O)cs2)[C@H](C)C1	886369031	RCNGNKTVOBCYFC-RKDXNWHRSA-N	283.349	1.867	10	20	CDCD	
C[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1ncn(C)n1	781403501	ZCAQSMXQWVJYBO-RNEXMXFGSA-N	288.307	1.117	10	20	CDCD	
COc1cc(C)cc(CN[C@H](CO)C(C)C)c1O	894320428	LOLLNCLAEFMOLZ-GFCCVEGCSA-N	253.342	1.816	10	20	CDCD	
CC[C@H](O)CCNCc1cc(C)cc(OC)c1O	894352112	KRMRSCOWRFCUFZ-LBPRGKRZSA-N	253.342	1.960	10	20	CDCD	
COc1cc(C)cc(CNC[C@@H]2CCN2C)c1O	896596326	XJRKGMCOBMHEBA-LBPRGKRZSA-N	250.342	1.503	10	20	CDCD	
CC[C@H](O)CCNCc1ccc(OC)c(OC)c1O	893161959	ZXEMKCBFAOJCBP-NSHDSACASA-N	269.341	1.660	10	20	CDCD	
C[C@@H](OC(=O)c1cccc(O)c1O)C(=O)C1CC1	798655033	SGDQDAXOCVILJL-SSDOTTSWSA-N	250.250	1.622	10	20	CDCD	
COC/C=C/C(=O)N(C)Cc1ccc(N(C)C)cc1	791304764	DXMRMJWCDZZFBN-AATRIKPKSA-N	262.353	1.914	10	20	CDCD	
COc1cc(O)c(CNC2(CN(C)C)CCC2)cc1OC	798961455	XGYJZFACACNLEA-UHFFFAOYSA-N	294.395	1.983	10	20	CDCD	
Nc1ccc(CN2CC[C@@H](CN3CCOCC3)C2)cc1	1345159467	HCYDDZQGEHEAJY-HNNXBMFYSA-N	275.396	1.423	10	20	CDCD	
CN1CCN(c2ccc(CN3CCOCC3)cc2F)CC1	1319521827	YBAAZQCHLDCORP-UHFFFAOYSA-N	293.386	1.410	10	20	CDCD	
O=C(O)[C@@H](NCc1cc(Cl)ccc1O)C1CC1	86757718	ZUYSESBGZIKCAP-NSHDSACASA-N	255.701	1.998	10	20	CDCD	
COC(=O)c1cccc(/C=C2/SC(=S)NC2=O)c1	1322546238	FIWQAEAMEHRABX-RMKNXTFCSA-N	279.342	1.962	10	20	CDCD	
CCCNC(=O)[C@@H](C)N(C)Cc1ccccc1O	109773015	WJRQWLBEOOCRRC-LLVKDONJSA-N	250.342	1.739	10	20	CDCD	
C[C@@H](NCCOC(=O)N(C)C)c1ccccc1O	689029905	DDZCJMSUAVVWHB-SNVBAGLBSA-N	252.314	1.741	10	20	CDCD	
CCN1CCC[C@H](NCc2cc(F)ccc2O)C1=O	722350744	GYNQWUKRULXPPM-LBPRGKRZSA-N	266.316	1.632	10	20	CDCD	
CN1CCC(CN(C)C(=O)NCc2ccc(N)cc2)CC1	1337019268	QTVHLLYFTRMGDA-UHFFFAOYSA-N	290.411	1.752	10	20	CDCD	
COc1ccc(CNC(=O)[C@@H]2CCCCCN2)c(O)c1	1332449518	GVRJWUQAQGCLGY-ZDUSSCGKSA-N	278.352	1.549	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)NCC1(N)CC1	1337024376	RICKSFSGKHYPRU-UHFFFAOYSA-N	277.368	1.805	10	20	CDCD	
CO[C@@H]1CCC[C@H]1C(=O)NCc1ccc(O)cc1O	1262628764	GDHDQAOFPCURGS-DGCLKSJQSA-N	265.309	1.529	10	20	CDCD	
O=C(O)/C=C\c1ccc(N2CC=C[C@@H]2CO)c([N+](=O)[O-])c1	1601880633	DPZWVSSSKNQNGY-VLWUPBBWSA-N	290.275	1.430	10	20	CDCD	
CN(C)c1ccc(CNc2cc(C(=O)O)ncn2)cc1	1606055731	PFFCBNHNTQCMHU-UHFFFAOYSA-N	272.308	1.853	10	20	CDCD	
C[C@H](C(=O)O)N(C(=O)c1cc(O)cs1)C1CCC1	1589476400	BSNGSDKZJWFRRT-SSDOTTSWSA-N	269.322	1.922	10	20	CDCD	
CC(C)[C@@H](O)COc1ccc(N(C)C)c(C(=O)O)c1	1591040975	AEGCXMHMIPHSDM-ZDUSSCGKSA-N	267.325	1.847	10	20	CDCD	
C[C@H]1CCN(CCNC(=O)Cc2ccc(N)cc2)C1	844187073	COFAEUBDAWTFQL-LBPRGKRZSA-N	261.369	1.269	10	20	CDCD	
CCc1cccc(CN(C)CCN2CCOCC2)c1O	848884559	DCYUFYPBWKLDBH-UHFFFAOYSA-N	278.396	1.719	10	20	CDCD	
CCO[C@H]1CCCN(C(=O)c2cccc(O)c2O)C1	126329602	CEZDTCOTDHADDU-JTQLQIEISA-N	265.309	1.739	10	20	CDCD	
Cc1nc(CCN[C@H](C)c2cc(F)ccc2O)n[nH]1	273405936	HBKUAICEMAPITH-MRVPVSSYSA-N	264.304	1.851	10	20	CDCD	
CCCCN(CC(N)=O)Cc1cc(OC)c(OC)cc1O	179768097	JCYBMHFVAUCOHB-UHFFFAOYSA-N	296.367	1.497	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)c2cn(C)nc2C)c1	113429525	IIQIYZZQECTZBX-VIFPVBQESA-N	289.335	1.934	10	20	CDCD	
Cc1cc(C(=O)N(C)CC(N)=O)c(C)n1-c1ccccn1	63749068	RIYWNZJZMCFNDY-UHFFFAOYSA-N	286.335	1.046	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)CN1CCOCC1	119199064	SRGUQUCTPVGNPV-UHFFFAOYSA-N	292.379	1.463	10	20	CDCD	
COc1cccc(CNC(=O)c2ccnc(C)n2)c1O	68489330	VVHFTEVFHHQSFB-UHFFFAOYSA-N	273.292	1.429	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H](CO)CC(C)(C)C)c(O)c1O	182856568	DPBWWQYGZKHQEG-SNVBAGLBSA-N	281.352	1.933	10	20	CDCD	
CN(CC[C@H]1CCOC1=O)c1ccc2c(c1)OCO2	121348480	IOIBLSRUOBOIGP-JTQLQIEISA-N	263.293	1.805	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N(CCCCO)C1CC1	181257229	RQZZBYCEDQTTHH-XBXARRHUSA-N	291.347	1.875	10	20	CDCD	
NCCCCNCc1cccc(Br)c1O	42412408	LPRCNUUFSWLCHA-UHFFFAOYSA-N	273.174	1.983	10	20	CDCD	
CCNC(=O)CCCC(=O)NCCc1ccc(N)cc1	236877037	UMLBEFLXUVANSL-UHFFFAOYSA-N	277.368	1.234	10	20	CDCD	
COCCOC[C@H]1CCN(C(=O)Cc2ccc(N)cc2)C1	237087508	IEDXWBUSNFSRIB-AWEZNQCLSA-N	292.379	1.323	10	20	CDCD	
COC(=O)CCCNC(=O)NCc1cccc(OC)c1O	266663153	ISUZRPAJKVYGEM-UHFFFAOYSA-N	296.323	1.153	10	20	CDCD	
C[C@@H](NCc1cc([N+](=O)[O-])ccc1O)[C@@H]1CCOC1	266154202	LJVQYVXIOYTOAS-NXEZZACHSA-N	266.297	1.815	10	20	CDCD	
C[C@@H](NC(=O)NCc1ccccc1O)[C@@H]1CCOC1	266631659	WXHLSENXQDUBTM-ZYHUDNBSSA-N	264.325	1.616	10	20	CDCD	
Oc1cccc(Cl)c1CNC[C@@H](O)C1CCOCC1	265655675	YLNHWVUOWZKOOC-CQSZACIVSA-N	285.771	1.923	10	20	CDCD	
CC[C@@H](NC[C@H](O)c1cnn(C)c1)c1ccccc1O	274878193	HANRRHPEPQRAKC-HIFRSBDPSA-N	275.352	1.900	10	20	CDCD	
CCC(CC)(CO)NCc1ccc([N+](=O)[O-])c(OC)c1O	278939773	XLWGNUUEANDVRH-UHFFFAOYSA-N	298.339	1.950	10	20	CDCD	
COCCn1cc(S(=O)(=O)Nc2ccc(O)cc2)cn1	271913130	BHKRBLQKTFUQRQ-UHFFFAOYSA-N	297.336	1.036	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H](CO)CC2CCC2)c(O)c1O	280213356	KVUIBCAOQWCTJL-LLVKDONJSA-N	279.336	1.687	10	20	CDCD	
CC(=O)N1CCCC[C@H]1C(=O)N(C)Cc1ccccc1O	285691909	OGQVZRYFEHTNFW-AWEZNQCLSA-N	290.363	1.752	10	20	CDCD	
COc1ccc(N2CCN(c3nccnc3CN)CC2)cc1	387304390	MWEAEDFHQYUCJG-UHFFFAOYSA-N	299.378	1.271	10	20	CDCD	
CC(=O)C(=O)CN1C(=O)S/C(=C/c2cccs2)C1=O	808020857	PVCBBIUMRCWIFF-BJMVGYQFSA-N	295.341	1.943	10	20	CDCD	
CO[C@@H](CNC(=O)c1ccc(C)c(O)c1O)C1CC1	294771666	ZUDMLNPYHSGXND-NSHDSACASA-N	265.309	1.561	10	20	CDCD	
CN(C)c1ccc(CNC(=O)COCc2cccnc2)cc1	805156259	OCRJMTWXIJINBU-UHFFFAOYSA-N	299.374	1.981	10	20	CDCD	
COCCc1nc(COC(=O)c2cc(O)cs2)no1	811120477	PMDKOVLWTKPYSF-UHFFFAOYSA-N	284.293	1.383	10	20	CDCD	
CN(C)c1ccc(CN[C@@H]2CCc3nnnn3CC2)cc1	817418986	NLTROEPUSRCSEE-CYBMUJFWSA-N	286.383	1.234	10	20	CDCD	
C[C@@H](NC[C@@H]1CNCCO1)c1cc2c(cc1O)CCCC2	817982350	CLUCYAHHTOEGLO-DOMZBBRYSA-N	290.407	1.910	10	20	CDCD	
CN1CC[C@H](CNC(=O)c2cc(O)cs2)CC1=O	822396227	GALJGJJINLHEPZ-QMMMGPOBSA-N	268.338	1.052	10	20	CDCD	
COCCOC[C@@H](O)CN[C@@H](C)c1ccc(N(C)C)cc1	828960311	TXIVPMHYDGSNAJ-BBRMVZONSA-N	296.411	1.427	10	20	CDCD	
CNC(=O)CCCCC(=O)N[C@H](C)c1ccccc1O	827940539	FHGRNZQXYIGTIP-LLVKDONJSA-N	278.352	1.876	10	20	CDCD	
CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CC(=O)N1	822898082	ICDLEPBUZDOZLJ-AWEZNQCLSA-N	289.379	1.378	10	20	CDCD	
Cc1cc(O)c(CNC2(CO)CCOCC2)cc1Cl	825278021	IXERCOXSXCBILU-UHFFFAOYSA-N	285.771	1.985	10	20	CDCD	
COC(=O)c1cnc(SC[C@@H](C)S(C)(=O)=O)s1	829677556	CPTITMVFCVRTKT-ZCFIWIBFSA-N	295.407	1.455	10	20	CDCD	
CCN1CCC(NC(=O)c2cc(O)cs2)CC1	731866007	DGRVIDUJBXOQMM-UHFFFAOYSA-N	254.355	1.668	10	20	CDCD	
CN1CCN(c2ccc(CNCCC(C)(C)N)cc2)CC1	903938911	PXXOFAGZVMCZRZ-UHFFFAOYSA-N	290.455	1.655	10	20	CDCD	
Nc1ccc(NC(=O)C2(C(=O)NC3CC3)CCC2)cc1	832244411	RADJEQGZMFRAPS-UHFFFAOYSA-N	273.336	1.656	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@@H]2[C@@H]3CCC(=O)[C@H]32)c1	913000719	SSZPTLCPFJWBMK-DDTOSNHZSA-N	259.305	1.542	10	20	CDCD	
CCc1cccc(CN2CC(=O)N(C)C[C@@H]2C)c1O	848905087	GQBLMPXSBAQTMS-NSHDSACASA-N	262.353	1.617	10	20	CDCD	
CNC(=O)[C@@H]1CN(Cc2ccc(N(C)C)cc2C)CCO1	840936020	DEGQYQXFXAUZOO-HNNXBMFYSA-N	291.395	1.008	10	20	CDCD	
CC[C@](C)(O)CNC(=O)NCCc1ccc(N)cc1	841958305	YWKHEORBPQVEGN-AWEZNQCLSA-N	265.357	1.272	10	20	CDCD	
COc1ccc(CNC(=O)N[C@H]2CCN[C@H](C)C2)c(O)c1	841983618	DWFPIXJIZXZDKW-PWSUYJOCSA-N	293.367	1.341	10	20	CDCD	
CCC[C@H](OC)C(=O)N(CC(=O)O)Cc1ccccc1O	911489627	UMXLIGRYJGPKIV-ZDUSSCGKSA-N	295.335	1.621	10	20	CDCD	
NCCNC(=O)N(Cc1ccco1)Cc1ccccc1O	841921615	RVXBIIBREVYMRE-UHFFFAOYSA-N	289.335	1.656	10	20	CDCD	
NC[C@@H]1CCCn2ncc(C(=O)N3CCc4ccncc43)c21	592565881	APTLRYVEBPQBPZ-LBPRGKRZSA-N	297.362	1.317	10	20	CDCD	
NC[C@H]1CC[C@@H](NCc2cc3c(cc2O)OCO3)C1	841084636	MHGCIHJBUUHFCO-GXSJLCMTSA-N	264.325	1.338	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@H]2CCC[C@H](N)C2)c1O	841059163	ZZFURLNAFYKLOL-QWRGUYRKSA-N	295.339	1.669	10	20	CDCD	
CCOc1ccc(CNC[C@]2(O)CCSC2)c(O)c1	747621906	GAZIXYJNMDNAJP-CQSZACIVSA-N	283.393	1.749	10	20	CDCD	
C[C@H](N[C@H](CO)C1CCOCC1)c1ccc(F)cc1O	757656556	BKUJBOSCIYABTK-IINYFYTJSA-N	283.343	1.969	10	20	CDCD	
O=[N+]([O-])c1cc(Cl)cc(CNC/C=C\CO)c1O	850357214	BENDNQALUPWMJW-UPHRSURJSA-N	272.688	1.592	10	20	CDCD	
CCN(Cc1nc(=O)n(C)[nH]1)c1ccc(OC)c(OC)c1	754059574	KWWICYJASUXXDK-UHFFFAOYSA-N	292.339	1.152	10	20	CDCD	
COc1ccc(N(C)C[C@H]2CCC(=O)O2)cc1OC	851734743	MHOWMDIPLVRUCW-LLVKDONJSA-N	265.309	1.846	10	20	CDCD	
CC[C@@H]1CC[C@H](C(=O)NCc2cc(OC)ccc2O)O1	757383072	SWEMFRIZDNNOSJ-BXUZGUMPSA-N	279.336	1.975	10	20	CDCD	
Cn1ncc2c1CCCN(C(=O)Cc1ccc(N)cc1)C2	852874959	XWJFSBASGKUGMS-UHFFFAOYSA-N	284.363	1.520	10	20	CDCD	
CC(=O)N1CC[C@@H](NCc2cc(F)c(N(C)C)cc2F)C1	858196554	SINFZFCCNVHUTB-GFCCVEGCSA-N	297.349	1.741	10	20	CDCD	
COC(=O)N1CCN(c2ccc(OC)c(F)c2)CC1	753740025	YHIQXLFFKOACGR-UHFFFAOYSA-N	268.288	1.723	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H](CC)CO	935945094	KLTQETYVKPTMSJ-JTQLQIEISA-N	272.341	1.513	10	20	CDCD	
CC1(C)CN(Cc2cc3c(cc2O)OC[C@H]3O)CCCO1	768447260	NTSKLWFVPCOSOT-CQSZACIVSA-N	293.363	1.819	10	20	CDCD	
CC(C)C1(C(=O)NCc2ccc(O)c(O)c2)COC1	934943352	HZCHAOZGXNPYPY-UHFFFAOYSA-N	265.309	1.387	10	20	CDCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2NCCN1CCNC1=O	1119376679	ZJDCJZBBBQWSRH-RYUDHWBXSA-N	289.379	1.864	10	20	CDCD	
COC(OC)C(=O)NCc1ccc(N2CCCC2)cc1	874002281	ZDMTUWXSTGRNAL-UHFFFAOYSA-N	278.352	1.522	10	20	CDCD	
COc1ccc(CNC[C@H](C)O)cc1Cn1cccn1	873007187	XSYPADLQBHASEL-LBPRGKRZSA-N	275.352	1.410	10	20	CDCD	
CCCOc1ccc(CNCCN2CC[C@H](O)C2)cc1C	873147371	UXJRJUNLVCRSFD-INIZCTEOSA-N	292.423	1.940	10	20	CDCD	
COCC1(NCc2ccc([N+](=O)[O-])c(OC)c2O)CC1	775038504	SYFMOILORCOYRH-UHFFFAOYSA-N	282.296	1.578	10	20	CDCD	
COc1ccc(N2CCN(C[C@@H](C)O)CC2)c(OC)c1	879463302	UZDHYMUTAGIZOG-GFCCVEGCSA-N	280.368	1.207	10	20	CDCD	
COc1cc(CN2CCN(C(C)C)C(=O)C2)c(O)cc1C	779881824	GFECYTZVHRWNDA-UHFFFAOYSA-N	292.379	1.762	10	20	CDCD	
CCO[C@H]1COCC[C@H]1NCc1cc(F)cc(F)c1O	883087939	NGYSWNIBTCFEFI-OLZOCXBDSA-N	287.306	1.954	10	20	CDCD	
O=C1N[C@H](c2cc(F)cc(F)c2O)N2CCSC[C@H]12	887329514	IRQIRGKQNWWRGI-KOLCDFICSA-N	286.303	1.216	10	20	CDCD	
COCCOC(=O)NCc1ccc2c(c1)CCCN2C	884992197	DSBHFPRRYYGCBX-UHFFFAOYSA-N	278.352	1.942	10	20	CDCD	
C[C@@H](NC(=O)N[C@@H]1CCCNC1)c1ccccc1O	892017583	WDKDGOLEVIVMIC-GHMZBOCLSA-N	263.341	1.504	10	20	CDCD	
CCOc1ccc(N(C)C[C@H]2CCS(=O)(=O)C2)cc1	789295130	WOYXGNOMTLYUNH-GFCCVEGCSA-N	283.393	1.956	10	20	CDCD	
COc1ccc(CN2CC(OC(F)F)C2)c(O)c1OC	894833811	ZHQBGOPWINZMKE-UHFFFAOYSA-N	289.278	1.833	10	20	CDCD	
COc1cc(Cl)cc(CN2C[C@@H](O)[C@H](C)C2)c1O	897681484	VWFSETCYZZBRGY-LDYMZIIASA-N	271.744	1.867	10	20	CDCD	
COCC(COC)NCc1cc(C)cc(OC)c1O	894905089	NPIOZHLRCRXJCQ-UHFFFAOYSA-N	269.341	1.460	10	20	CDCD	
COC(=O)[C@@H](C)N(C)Cc1cc(F)cc(C(C)=O)c1O	796498252	KVWKTNPARLAYFY-MRVPVSSYSA-N	283.299	1.727	10	20	CDCD	
O=C(CC1OCCO1)NCc1c(O)ccc2c1CCCC2	793690340	VHPNMRDWZPPMNY-UHFFFAOYSA-N	291.347	1.650	10	20	CDCD	
C[C@@H](C[C@H]1COCCN1)NCc1ccc(N(C)C)cc1	133463037	CWVRVQKUUCOCOW-ZFWWWQNUSA-N	277.412	1.609	10	20	CDCD	
Cn1cc(C(=O)Nc2c(Cl)ccc3nonc23)nn1	1323484245	ULJSIXKWPXICFT-UHFFFAOYSA-N	278.659	1.257	10	20	CDCD	
COc1ccc(O)c(CN2CCSC[C@H]2CC(=O)O)c1	91133610	KEILNNIFVVGUKK-LLVKDONJSA-N	297.376	1.793	10	20	CDCD	
Nc1ccc(CNC(=O)NCCC2(O)CCC2)cc1	1262582317	RPGVPROHXHUZNW-UHFFFAOYSA-N	263.341	1.373	10	20	CDCD	
C[C@@H](CNC(=O)NCc1cccc(Cl)c1O)C(=O)O	1353124824	DAWNGJHMLQPIFM-ZETCQYMHSA-N	286.715	1.566	10	20	CDCD	
C=CC(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1	1353217101	ZRSGAJSCQYSQDB-UHFFFAOYSA-N	287.363	1.157	10	20	CDCD	
O=C(O)c1ccnc(C(=O)NCc2ccc(O)c(O)c2)c1	1602481742	IRWMGNVBBYNPIX-UHFFFAOYSA-N	288.259	1.121	10	20	CDCD	
O=C(O)Cn1cc(NCc2cc(F)cc(F)c2O)cn1	1595148637	SNOLOSORUOLWEX-UHFFFAOYSA-N	283.234	1.564	10	20	CDCD	
CO[C@@H]1CCOC[C@H]1N[C@H](C)c1cc(C(=O)O)ccc1O	1599322064	FLKCHXRQCDJJPQ-GAJTVXKRSA-N	295.335	1.545	10	20	CDCD	
COc1ccc(O)c(CN(CC(=O)O)C2CCC2)c1	848640006	MEZKWSLJANOUAH-UHFFFAOYSA-N	265.309	1.840	10	20	CDCD	
C[S@](=O)CCCNCc1ccc(N2CCOCC2)cc1	116918512	XUKIMPFDZKYKNS-HXUWFJFHSA-N	296.436	1.381	10	20	CDCD	
COc1ccc(O)c(CNC[C@@](C)(O)C(F)(F)F)c1	271840700	QQGJYHJFCFKVMQ-LLVKDONJSA-N	279.258	1.804	10	20	CDCD	
Oc1ccccc1CNc1cccc(-n2cnnn2)c1	36958126	JFJYAZIMQFWISC-UHFFFAOYSA-N	267.292	1.980	10	20	CDCD	
COC(=O)[C@H](C)NCc1ccc(N2CCCC2)cc1	37303093	ZPCJYLOCXCRWON-LBPRGKRZSA-N	262.353	1.938	10	20	CDCD	
O=C(NCCN1CC=CCC1)c1cccc(O)c1O	279906175	FDIYBWQTIRRXRR-UHFFFAOYSA-N	262.309	1.090	10	20	CDCD	
CN1CCC(O)(CNCc2cc(Cl)ccc2O)CC1	397488894	GFWHZEDBPZELCW-UHFFFAOYSA-N	284.787	1.592	10	20	CDCD	
O=C(NCc1c(O)ccc2c1CCCC2)C1=COCCO1	174512349	KZCPVEBQGCAFAU-UHFFFAOYSA-N	289.331	1.775	10	20	CDCD	
CC[C@@]1(CO)CCCN1C(=O)c1ccc(C)c(O)c1O	189248064	ZEUGQMGGUKVWIF-HNNXBMFYSA-N	279.336	1.783	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CN2CCCCC2=O)cc1	120037955	SMYFOIYHEXIXKE-UHFFFAOYSA-N	289.379	1.381	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1CCc2[nH]ncc2C1	181083398	KKOWAWKHQOYCHX-RDNKVPPGSA-N	299.330	1.508	10	20	CDCD	
Cc1nccn1CCCN(C)C(=O)c1cccc(O)c1O	187200737	GWSBSVUBQFCQQO-UHFFFAOYSA-N	289.335	1.765	10	20	CDCD	
CCCCOCCNC(=O)Cc1ccc(N)cc1	40505636	ZPYVATLBDLRIAH-UHFFFAOYSA-N	250.342	1.744	10	20	CDCD	
COCCCNC(=O)N(C)Cc1ccc(N(C)C)cc1	49266191	OCIBYESZTLSCCP-UHFFFAOYSA-N	279.384	1.931	10	20	CDCD	
CC(=O)c1cc(F)cc(CN(C[C@@H](C)O)[C@@H](C)CO)c1O	190928897	IFIICSBFLGREMH-VHSXEESVSA-N	299.342	1.298	10	20	CDCD	
C[C@]1(C(=O)NCCCSc2nccs2)CCNC1	237755830	XAFSKBPQRXFZTN-LBPRGKRZSA-N	285.438	1.741	10	20	CDCD	
OC[C@H]1CCCN1Cc1cc2c(cc1O)OCO2	92471035	GOKFCNBVTYUXQG-SNVBAGLBSA-N	251.282	1.078	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCC[C@@H]1[C@@H]1CCC[C@H]1O	253088562	FOGWUDOMMVDSJQ-CYZMBNFOSA-N	291.347	1.863	10	20	CDCD	
CC[C@@H]1CC[C@H](C(=O)NCc2cccc(OC)c2O)O1	268221797	JPMKMFVJIVGATB-DGCLKSJQSA-N	279.336	1.975	10	20	CDCD	
COc1ccc(CNC(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)c(O)c1	366318479	UYRDGHVHQVMCNL-BZPMIXESSA-N	292.335	1.520	10	20	CDCD	
O=C(c1c(F)ccc(O)c1O)N1CCC[C@H](CO)C1	276645619	YEVLHXUTFJLEPQ-QMMMGPOBSA-N	269.272	1.081	10	20	CDCD	
COc1ccc(CNC(=O)[C@@H]2CC23CCOCC3)c(O)c1	373665377	HOLGEJATUMJLRA-ZDUSSCGKSA-N	291.347	1.834	10	20	CDCD	
Cc1ccc(O)c(CN2CCN(C[C@@H](C)O)C[C@@H]2C)c1	284438843	SOVZHKZEOPJMBT-UONOGXRCSA-N	278.396	1.588	10	20	CDCD	
COc1cc(N2CC3(CCOC3)C2)c([N+](=O)[O-])cc1OC	294021981	KSWWIPBFHXJECV-UHFFFAOYSA-N	294.307	1.839	10	20	CDCD	
Cc1ccc(C(=O)NCc2snnc2C)c(O)c1O	293761063	UKVWWKRWWJUHMG-UHFFFAOYSA-N	279.321	1.496	10	20	CDCD	
CN(C)c1ccc(OCCCS(=O)(=O)N(C)C)cc1	810002237	UYTZYBNOQIJBOG-UHFFFAOYSA-N	286.397	1.413	10	20	CDCD	
COC[C@@H](OC)C(=O)NCCCSc1nccs1	827474963	QAQOMTVJMFSWBU-SECBINFHSA-N	290.410	1.403	10	20	CDCD	
Cc1nc(CC(=O)N[C@H](C)c2ccccc2O)n[nH]1	827952520	WJIYVGQZRUIZRB-MRVPVSSYSA-N	260.297	1.239	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)C2(N)CCC2)c1	828666461	DLWHCRCVMHLMTJ-VIFPVBQESA-N	264.325	1.459	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)[C@H]2CC(=O)N2)cc1F	826940862	FZQYLCYLQCAXCV-GFCCVEGCSA-N	293.342	1.177	10	20	CDCD	
COC(=O)CC(=O)NCc1ccc(N2CCCC2)cc1	906111763	KOFFLOSRECBWAB-UHFFFAOYSA-N	276.336	1.466	10	20	CDCD	
COC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1ccc(C)c(O)c1O	836812243	UWQIWYKIOBQFHN-KOLCDFICSA-N	293.319	1.478	10	20	CDCD	
CCN(CC)c1ccc(CN2CC[C@@](O)(C(=O)O)C2)cc1	901901440	KXBGHBLGQQRISO-INIZCTEOSA-N	292.379	1.554	10	20	CDCD	
C[C@@H](NC[C@]1(C)CCC(=O)N1)c1ccc(F)cc1O	834907849	DOASTSVPMCLJAN-OTYXRUKQSA-N	266.316	1.851	10	20	CDCD	
CCCN[C@@H](C)C(=O)NCc1ccc(OC)cc1O	832177782	GMQNGZPIXWLQPU-JTQLQIEISA-N	266.341	1.405	10	20	CDCD	
CN(Cc1cc(O)n2ncc(C(=O)O)c2n1)C1CCC1	846248558	ZDDUTMFTIUMFGA-UHFFFAOYSA-N	276.296	1.117	10	20	CDCD	
COc1cccc([C@@H](C)NCc2cnn(C)c2)c1O	846142998	GWNUESTWBGSCES-SNVBAGLBSA-N	261.325	1.985	10	20	CDCD	
CCc1cccc(CNC[C@@H]2CCCN2CCCO)c1O	848915339	GIMATVGJBIRYMI-INIZCTEOSA-N	292.423	1.891	10	20	CDCD	
C[C@@H]1C[C@@H](CN)CN1Cc1cc2c(cc1O)OCO2	843058251	QJKKQLMXPUFACJ-ZJUUUORDSA-N	264.325	1.290	10	20	CDCD	
CSCC[C@H](O)C(=O)NCc1cc(Cl)ccc1O	846473073	IJNWTFAPKHNGBM-NSHDSACASA-N	289.784	1.776	10	20	CDCD	
COCCCCN(C)C(=O)/C=C\c1ccc(O)c(O)c1	841469712	YMMIFZVDNOBWBO-VURMDHGXSA-N	279.336	1.996	10	20	CDCD	
CC(C)[C@@H]1CCO[C@@H]1C(=O)NCc1ccc(O)cc1O	910944504	NAUAMUIXWBNLLX-JSGCOSHPSA-N	279.336	1.775	10	20	CDCD	
COc1cccc(CNC(=O)NC[C@@H](N)C(C)C)c1O	841944747	QCGWACCWDOQVRF-LLVKDONJSA-N	281.356	1.183	10	20	CDCD	
COc1cccc(O)c1CNC[C@H]1CCCNC1	841032941	KIGYVLPMZFOUCJ-NSHDSACASA-N	250.342	1.490	10	20	CDCD	
NCC[C@@H](NCc1cccc(F)c1O)C(F)(F)F	841091243	VMDSIRYERLFCLI-SECBINFHSA-N	266.238	1.901	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CCCNCC2)c1	846677001	MARMSTJWCYWFMW-RYUDHWBXSA-N	292.379	1.968	10	20	CDCD	
C[C@H](NC[C@H](O)c1cnn(C)c1)c1cc(F)ccc1O	756616002	YILIXKAAEMIXSN-XPTSAGLGSA-N	279.315	1.649	10	20	CDCD	
CN(C)c1ccc(CN2CC[C@@H]3NC(=O)CC[C@@H]3C2)cc1	852495198	KFOAVXCATLQKMQ-ZBFHGGJFSA-N	287.407	1.853	10	20	CDCD	
CC[C@@H](NCCN1CC[C@@H](O)C1)c1ccc(F)cc1O	858547007	CERSSNKNQHFJGE-TZMCWYRMSA-N	282.359	1.639	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)N[C@H]2C(=O)NCC[C@H]2C)c1	858424998	CJAYTWMRHCMRFG-ZWNOBZJWSA-N	291.351	1.024	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1cn(C2CC2)nn1	859421022	ICXGFWHBFLLGOR-UHFFFAOYSA-N	299.378	1.917	10	20	CDCD	
O=C(NCc1cc(Cl)ccc1O)c1cc2n(n1)CCO2	857548824	VYJIEYYLIAJJSB-UHFFFAOYSA-N	293.710	1.565	10	20	CDCD	
COC[C@@H](O)CCN[C@@H](C)c1cc(F)cc(F)c1O	756777041	GAPWWPMTFYPQPD-WPRPVWTQSA-N	275.295	1.718	10	20	CDCD	
C[C@H]1C[C@@H](NCCN2CC[C@H](O)C2)c2c(O)ccc(F)c21	858601076	BJFPSVWJTNVURJ-GMXVVIOVSA-N	294.370	1.736	10	20	CDCD	
CCOC(=O)CN(CC)Cc1cc2c(cc1O)OCO2	769006920	TXDWDDGISJOCTJ-UHFFFAOYSA-N	281.308	1.506	10	20	CDCD	
CCOc1ccc(CN2CCN(C[C@H](C)O)CC2)c(O)c1	769327619	KFMAKUUATYSVGS-ZDUSSCGKSA-N	294.395	1.289	10	20	CDCD	
Cc1ccc(CNCC(C)(C)S(C)(=O)=O)c(O)c1	877075896	RUNDRFMKXRESEN-UHFFFAOYSA-N	271.382	1.613	10	20	CDCD	
Cc1cc(O)c(CN2CCN(C)C[C@H]2CO)cc1Cl	877643864	KITNTGDYMWHAQV-LBPRGKRZSA-N	284.787	1.462	10	20	CDCD	
COc1ccc(N(CC(=O)NCC(=O)O)CC2CC2)cc1	873643186	FWEWAFUSCVNSAG-UHFFFAOYSA-N	292.335	1.112	10	20	CDCD	
COC(=O)[C@](C)(NC(=O)c1cccc(O)c1O)C1CC1	776658226	PWXPSIMXLTUBLM-CQSZACIVSA-N	279.292	1.169	10	20	CDCD	
CCOC(=O)[C@H]1CSCCN1Cc1ccccc1O	778995141	QYPUACNBIZJZSR-GFCCVEGCSA-N	281.377	1.873	10	20	CDCD	
C[C@H]1OCC[C@]1(O)CNCc1cc(Cl)cc(F)c1O	789775819	BZUJIWGIJNQNLG-OQPBUACISA-N	289.734	1.814	10	20	CDCD	
CN(C)c1ccc([C@@H](CNC(=O)C(C)(C)O)N(C)C)cc1	891247997	JUIMOADQSGDVSY-CQSZACIVSA-N	293.411	1.242	10	20	CDCD	
COc1ccc(CN2C[C@@H](O)C[C@@H]2C)c(O)c1OC	893949445	NQCDTRCVGWKZCT-ONGXEEELSA-N	267.325	1.365	10	20	CDCD	
CCOc1ccc(CN2CCOC[C@]23CCOC3)c(O)c1	799737846	NQJKYUXESLKMAK-MRXNPFEDSA-N	293.363	1.782	10	20	CDCD	
O=C(CC1COC1)NCc1c(O)ccc2c1CCCC2	798172661	VJWXNQSMVJWUCI-UHFFFAOYSA-N	275.348	1.924	10	20	CDCD	
CN[C@H](C)CCNC(=O)N(C)Cc1ccccc1O	1328725106	LPLHKWYOZWZOAC-LLVKDONJSA-N	265.357	1.532	10	20	CDCD	
COc1ccc(O)c([C@H](C)N[C@H]2CCCS(=O)(=O)C2)c1	69141382	SDZDVCFVEXZGSS-QWRGUYRKSA-N	299.392	1.629	10	20	CDCD	
Cc1nnc(O)c(CNC(=O)c2cccc(O)c2O)c1C	1256254968	OLLTUHYUMRQCEO-UHFFFAOYSA-N	289.291	1.140	10	20	CDCD	
Nc1ccc(CNC(=O)N2CCC[C@@H](O)CC2)cc1	1346738386	HJUPOBNWYJOFCL-CYBMUJFWSA-N	263.341	1.325	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)NC[C@H]1CCCNCC1	1578496607	MRRLGFHKBUBYEF-ZDUSSCGKSA-N	291.395	1.923	10	20	CDCD	
C[C@](CCF)(NC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)O	1592494772	COOUQFROJOBSID-LYKUJDHUSA-N	297.282	1.430	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NCC(=O)NC(C)C)c1	36781581	NNXBPWGCPMKSMS-SNVBAGLBSA-N	266.341	1.576	10	20	CDCD	
CN1CC[C@H](N2CCCc3cc(CN)ccc32)C1=O	700969369	LVQKYGMSAQXAHU-AWEZNQCLSA-N	259.353	1.129	10	20	CDCD	
CC1(C)CN(CCNCc2ccc3c(c2)CCO3)CCO1	171766486	HFYDKZIUAJUPOQ-UHFFFAOYSA-N	290.407	1.822	10	20	CDCD	
CCO[C@@H]1C[C@@H]1C(=O)N1CCOc2cc(N(C)C)ccc21	173196118	PADRBFVNTYTUPY-GXTWGEPZSA-N	290.363	1.903	10	20	CDCD	
Cc1cccc(CN(C)[C@@H]2CCS(=O)(=O)C2)c1O	124504529	YAWZENJLZYDZBY-GFCCVEGCSA-N	269.366	1.320	10	20	CDCD	
CC(C)[C@](C)(CN)NC(=O)c1cccc(O)c1O	126720236	HVAYJPYYEVZZFM-ZDUSSCGKSA-N	252.314	1.201	10	20	CDCD	
C[C@@]1(O)CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1	181297916	IDDFYLAOVISNDC-CSPWOOARSA-N	277.320	1.484	10	20	CDCD	
CN(C)C(=O)CCCC(=O)NCc1ccc(N(C)C)cc1	74186249	ALGXVDDQKHCDBQ-UHFFFAOYSA-N	291.395	1.627	10	20	CDCD	
CC[C@H](CCO)NC(=O)c1ccc(C)c(O)c1O	182820500	WXTDZXFMQLQAKO-SECBINFHSA-N	253.298	1.297	10	20	CDCD	
Cc1ccc(C(=O)NN2Cc3ccccc3C2=O)c(O)c1O	183905086	VWNQMEXMMBXAKF-UHFFFAOYSA-N	298.298	1.707	10	20	CDCD	
Cc1nnc([C@@H](C)NC(=O)c2cccc(O)c2O)[nH]1	286279418	GTNRUNBVRHURQX-ZCFIWIBFSA-N	262.269	1.015	10	20	CDCD	
CCNC(=O)N1CCN(Cc2ccccc2O)CC1	179554333	ZBQPYXGQYCEWET-UHFFFAOYSA-N	263.341	1.239	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@H]2CCCCN2)cc1F	237084942	GWCXDTTWQVDRGN-CYBMUJFWSA-N	279.359	1.650	10	20	CDCD	
COCCOC[C@@H]1CCN(C(=O)Cc2ccc(N)cc2)C1	237086363	IEDXWBUSNFSRIB-CQSZACIVSA-N	292.379	1.323	10	20	CDCD	
CN1CCC2(CCCN2C(=O)c2cccc(O)c2O)CC1	365584419	FKYALSMGAGPZIB-UHFFFAOYSA-N	290.363	1.798	10	20	CDCD	
C[C@H](CO[C@@H]1CCOC1)NC(=O)NCc1ccccc1O	267875808	DGSAAVIFHUVITC-DGCLKSJQSA-N	294.351	1.385	10	20	CDCD	
Cc1ccc(C(=O)N2CCC[C@H](OCCO)C2)c(O)c1O	272806059	ZKKIXYHTNUBLAT-NSHDSACASA-N	295.335	1.020	10	20	CDCD	
O=C(NCCCOC1CCOCC1)c1cccc(O)c1O	275158136	UDUOLMIGBFSRLJ-UHFFFAOYSA-N	295.335	1.413	10	20	CDCD	
C[C@@H](NCc1nccn1C)c1cc([N+](=O)[O-])ccc1O	273615730	XGELHTYZBHCUHH-SECBINFHSA-N	276.296	1.885	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)NC[C@H](C)OC)c1	276877576	FUAVZOYLWBOEGU-VHSXEESVSA-N	267.325	1.864	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2CCC[C@@H](O)C2)c1O	278200150	IVUZQQRUTOOXLO-SNVBAGLBSA-N	282.296	1.266	10	20	CDCD	
CCOc1cccc(CN[C@@H](C)C(=O)NCCF)c1O	282780940	VQDYSKFHUJEVQH-JTQLQIEISA-N	284.331	1.355	10	20	CDCD	
COc1cccc(CNc2ccc3nc(C)nn3n2)c1O	804424361	JMHOUWVEKJUWDQ-UHFFFAOYSA-N	285.307	1.759	10	20	CDCD	
CN(C)C(=O)O[C@H]1CCN(C(=O)c2cccc(O)c2O)C1	295510240	PVPMKMAQIYFEAE-VIFPVBQESA-N	294.307	1.011	10	20	CDCD	
O=C(NCCOCC1CC1)c1c(F)ccc(O)c1O	295274036	OQXYSPQBPRGDMG-UHFFFAOYSA-N	269.272	1.393	10	20	CDCD	
CC(C)[C@@H](CO)CNC(=O)NCc1ccc(N(C)C)cc1	806325315	QGAHUJSQZMUIIH-CQSZACIVSA-N	293.411	1.816	10	20	CDCD	
O=C(COc1ccc(CO)cc1)NCc1ccccc1O	816912358	UNHHTNKVMVKOPW-UHFFFAOYSA-N	287.315	1.580	10	20	CDCD	
CC[C@H](O)CNC[C@H]1CCN(c2ccc(OC)cc2)C1	819381208	VSVPJUBIKMBJIG-HIFRSBDPSA-N	278.396	1.882	10	20	CDCD	
O[C@@H](CNc1ccccc1OCC(F)F)Cn1cccn1	819460658	UKVFTUWPYIWHAH-NSHDSACASA-N	297.305	2.000	10	20	CDCD	
COc1ncc(/C=C/C(=O)N(C)c2ncccc2F)cn1	492729270	AVFSSCOCQZGMRK-AATRIKPKSA-N	288.282	1.696	10	20	CDCD	
Cc1n[nH]cc1CNC(=O)NCc1ccccc1O	727238217	OKUJPPIDZJOFRA-UHFFFAOYSA-N	260.297	1.423	10	20	CDCD	
CN(Cc1cn(C)nn1)Cc1cc(Cl)cc(F)c1O	827304874	IASGLBDRMUNFID-UHFFFAOYSA-N	284.722	1.945	10	20	CDCD	
CN1C(=O)CC[C@@H]1C(=O)NCc1cc(Cl)ccc1O	823986051	FCQVTIHBWUJZDY-SNVBAGLBSA-N	282.727	1.283	10	20	CDCD	
COc1cccc(CNC(=O)[C@@H](C)CC(=O)O)c1O	832553677	FWCXLHIKSVNGEW-QMMMGPOBSA-N	267.281	1.128	10	20	CDCD	
CO[C@@H]1COC[C@H]1NCc1cc(Cl)cc(C(C)=O)c1O	830086173	VEIPTNMQMYGMLH-CHWSQXEVSA-N	299.754	1.752	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@H]2C[C@H]3CC(=O)[C@@H]2C3)c1	837486109	URNUAUZYGQXELA-BIMULSAOSA-N	289.331	1.632	10	20	CDCD	
COc1cccc([C@@H](C)NCCCc2cnn(C)n2)c1O	846169840	KLEUEZDMNDMIKM-LLVKDONJSA-N	290.367	1.813	10	20	CDCD	
CN[C@@H](C)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	848411831	CXUMMPJGNYQADX-STQMWFEESA-N	291.395	1.308	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC[C@H](O)COCC1CC1	840932924	WOFOHKWDSOFXQP-KRWDZBQOSA-N	292.423	1.938	10	20	CDCD	
COc1ncc(/C=C\C(=O)N2CCc3ncc(C)cc32)cn1	857875221	YBEPYNMYHLTACI-ARJAWSKDSA-N	296.330	1.791	10	20	CDCD	
C[C@H](NCc1nc(O)cc(CN)n1)c1ccccc1O	854232352	NBGAKVRSGVUMPO-VIFPVBQESA-N	274.324	1.197	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)NC[C@@H]2COCCO2)c1	756435067	URYUVVGEMJCPNC-CMPLNLGQSA-N	295.335	1.245	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NCCN(C)C(C)C)c1	858194921	LIPDUOSATNPADN-UHFFFAOYSA-N	279.384	1.840	10	20	CDCD	
NC(=O)[C@@H](Cc1ccccc1)OC(=O)c1cc(O)cs1	754814544	GJNAPKVLBXRBAQ-LLVKDONJSA-N	291.328	1.707	10	20	CDCD	
CCOCCO[C@@H](C)C(=O)NCc1cc(C)ccc1O	862758924	QMRFCQUWHOJCPJ-LBPRGKRZSA-N	281.352	1.758	10	20	CDCD	
COCC1(NCc2ccc(N3CCOCC3)c(F)c2)CC1	765260528	HJQIQVPOQNECFG-UHFFFAOYSA-N	294.370	1.931	10	20	CDCD	
Cc1ccc(CN(CCN(C)C)CC(=O)N(C)C)c(O)c1	877629467	SYHFLTQXEXPQSL-UHFFFAOYSA-N	293.411	1.152	10	20	CDCD	
CN(C(=O)[C@]1(C(F)(F)F)CCNC1)c1ccc(N)cc1	877074975	WTXBXESLSZIALL-LBPRGKRZSA-N	287.285	1.774	10	20	CDCD	
COCCCn1cc(COc2ccc(N)cc2)nn1	881283700	FCQJJKSHUWREKM-UHFFFAOYSA-N	262.313	1.476	10	20	CDCD	
CCOCCOCCNC(=O)/C=C/c1ccc(O)c(O)c1	885758468	PPJXIXDJPZWVCI-GQCTYLIASA-N	295.335	1.280	10	20	CDCD	
C[C@@H](N[C@H]1CCc2c(nnn2C)C1)c1c(O)cccc1F	886633090	MUFKCTPYQXIFSB-ZJUUUORDSA-N	290.342	1.868	10	20	CDCD	
COc1cc(C)cc(CNCCN(C)CC(F)F)c1O	895416088	QUTZBJGYGLZRST-UHFFFAOYSA-N	288.338	1.996	10	20	CDCD	
COc1ccc(O)c(CN2[C@H](C)C(=O)N[C@H](C)[C@H]2C)c1	895119135	VSKCZFRGGHMGAO-GMTAPVOTSA-N	278.352	1.498	10	20	CDCD	
COC(=O)N1CC(C)(NCc2cc(C)ccc2O)C1	894543192	VYPYBINRBUZAHL-UHFFFAOYSA-N	264.325	1.631	10	20	CDCD	
CN(Cc1ccc(N2CCCC2)cc1)[C@]1(CO)CCOC1	1329066429	GSCTZHOMCLPVKA-KRWDZBQOSA-N	290.407	1.870	10	20	CDCD	
CCNC(=O)N1CCN(Cc2ccc(N)cc2)CC1	721763961	VLOATYOWHVIJBP-UHFFFAOYSA-N	262.357	1.116	10	20	CDCD	
CCc1cc(C(=O)NCc2ccc(O)c(O)c2)nn1C	1325149314	ZQQDPMCALNQVGG-UHFFFAOYSA-N	275.308	1.324	10	20	CDCD	
CCS(=O)(=O)CCNCc1cc(F)cc(F)c1O	708466405	SBDUHRIJRXJROE-UHFFFAOYSA-N	279.308	1.195	10	20	CDCD	
C[C@@H](O)CN(C(=O)NCc1ccc(N)cc1)C1CC1	1338792423	FVZLTFKXWHJIHD-SNVBAGLBSA-N	263.341	1.324	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCSC[C@H]1CO	1335875538	MZENUAMLISHKDY-SSDOTTSWSA-N	259.352	1.004	10	20	CDCD	
COc1cccc(O)c1CNCCc1cnccn1	774834299	YJQDTHINSNFEGN-UHFFFAOYSA-N	259.309	1.523	10	20	CDCD	
COC(=O)N1CCN(Cc2cc(Cl)ccc2O)CC1	92217151	JCBCIHWBQJXPQS-UHFFFAOYSA-N	284.743	1.930	10	20	CDCD	
C[C@H]1NCCn2c(C(=O)NCc3ccccc3O)ccc21	1343539892	ALACEOAVWDICMT-LLVKDONJSA-N	285.347	1.788	10	20	CDCD	
COc1ccc(N2CC[C@@H](N[C@@H](C)CC(=O)O)C2)cc1	1604809433	ISYIDJNNMKFCJN-NWDGAFQWSA-N	278.352	1.727	10	20	CDCD	
CC[C@@H](NC1CC1)c1cccc(-c2nn[nH]n2)c1O	1604055999	SKBUEUDJTJYOTD-LLVKDONJSA-N	259.313	1.775	10	20	CDCD	
Oc1ccccc1CN=c1cc[nH]cc1-c1nn[nH]n1	1609611940	WTFPZDBGSQFKOC-UHFFFAOYSA-N	268.280	1.001	10	20	CDCD	
Cc1cc(CN2CCN(CC(=O)O)CC2)ccc1N(C)C	1607641064	NLUHLEYWAKCUNB-UHFFFAOYSA-N	291.395	1.263	10	20	CDCD	
O=C(O)[C@H](C(=O)NCc1cc(O)ccc1O)C1CCCC1	1605898190	OQZJNBJOUWPICE-ZDUSSCGKSA-N	293.319	1.605	10	20	CDCD	
COC(=O)[C@@H]1CNCCCN1Cc1ccc(Cl)cc1O	1578797900	UKQAZFCEZJJMMN-LBPRGKRZSA-N	298.770	1.383	10	20	CDCD	
Nc1ccc(CNC(=O)C2=C[S@](=O)CCC2)cc1	1580443497	LQQCMJVSHVDWSD-GOSISDBHSA-N	264.350	1.311	10	20	CDCD	
C[C@H](NCC1(C)COC1)c1cccc(-c2nn[nH]n2)c1O	1589976457	FUZXRINAXKWHRO-VIFPVBQESA-N	289.339	1.259	10	20	CDCD	
COc1cccc(CNCC(C)(C)N(C)C)c1O	20125784	LHSZYFQXJTVUOR-UHFFFAOYSA-N	252.358	1.831	10	20	CDCD	
Nc1cc(C(=O)NCc2cccc(Cl)c2O)ccn1	1580434068	FUQBTJHQABYERV-UHFFFAOYSA-N	277.711	1.953	10	20	CDCD	
Nc1ccc(CCNC(=O)[C@@H]2CCc3cn[nH]c3C2)cc1	152489530	CRMWOJJWTWACDT-GFCCVEGCSA-N	284.363	1.456	10	20	CDCD	
CC[C@@H]1CN(Cc2c(O)cccc2OC)CC[C@@H]1N	843053813	SHPGNWWBJUWLTO-YPMHNXCESA-N	264.369	1.960	10	20	CDCD	
Nc1ccc(CC(=O)N2CCN3CCC[C@@H]3C2)cc1	37812595	JAPKNDBCHQIDJZ-CQSZACIVSA-N	259.353	1.118	10	20	CDCD	
CCN(Cc1cc2c(cc1O)OCO2)C[C@H](C)OC	291139657	OXBVXHFQNWSVTD-JTQLQIEISA-N	267.325	1.978	10	20	CDCD	
C[C@@H](NC(=O)CC(C)(C)CN)c1ccccc1O	1522344759	YWDDIJMSMNGTGY-SNVBAGLBSA-N	250.342	1.944	10	20	CDCD	
COc1ccc(N(C)CC(=O)NCCC#N)cc1OC	63617045	HGUKMZNORPEWMW-UHFFFAOYSA-N	277.324	1.170	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)[C@H]2CCNC2)cc1	178712682	LYABVTJXENYZJD-AWEZNQCLSA-N	275.396	1.759	10	20	CDCD	
Cc1cc(C(=O)N2CCNC[C@@H]2C)c(C)n1-c1ccccn1	126250807	LZCBGAQTEBDTSR-ZDUSSCGKSA-N	298.390	1.923	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CCNC(=O)C1	124517013	QOIQCSKYBYMPQZ-GFCCVEGCSA-N	289.379	1.203	10	20	CDCD	
CC(=O)NCCCN[C@@H](C)c1ccc(N(C)C)cc1	178513621	JPQUPTIZQIYLSI-LBPRGKRZSA-N	263.385	1.929	10	20	CDCD	
COC[C@H](NCc1ccccc1O)[C@H]1CCCO1	278555226	BVRWNMUNRTZABO-GXTWGEPZSA-N	251.326	1.676	10	20	CDCD	
COC(=O)[C@]1(C)CCN(C(=O)c2c(F)ccc(O)c2O)C1	278732538	DDUMBHFZXBDBEC-CQSZACIVSA-N	297.282	1.262	10	20	CDCD	
COc1cc(O)c(CN(CCO)C(C)C)cc1OC	271779529	GORCHLACHADVBW-UHFFFAOYSA-N	269.341	1.612	10	20	CDCD	
CCOc1ccc(O)c(CN2CC[S@](=O)C[C@H](C)C2)c1	277586305	UKVZSCYMMOLYIV-ODXCJYRJSA-N	297.420	1.991	10	20	CDCD	
CCN1CCN(Cc2cc(OC)c(OC)cc2O)[C@H](C)C1	289643562	MKHVCQFNICJFFL-GFCCVEGCSA-N	294.395	1.935	10	20	CDCD	
CC(C)[C@@H]1NCC[C@@H]1C(=O)NCCc1ccc(N)cc1	294710551	BHVGVAVHHLNHSP-GJZGRUSLSA-N	275.396	1.562	10	20	CDCD	
C[C@@H](C(=O)O)N(C)Cc1ccc(N2CCN(C)CC2)cc1	819895514	LZFJKKXJDXSSBA-ZDUSSCGKSA-N	291.395	1.343	10	20	CDCD	
CC[C@@H](C)OCC(=O)NCCc1ccc(N)cc1	818545322	XZPOXXUHJHSRGS-LLVKDONJSA-N	250.342	1.743	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN(C)C2(CO)CC2)c1O	827903613	LVJMMPQEGQZFGE-UHFFFAOYSA-N	282.296	1.266	10	20	CDCD	
O=C(O)[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1	821508628	CCFDIZNLVIYQLE-XCRNYIDWSA-N	277.276	1.044	10	20	CDCD	
O=C(OCCN1CCOC1=O)c1cc(O)cs1	732354402	LEQSAEYWYWDBSV-UHFFFAOYSA-N	257.267	1.063	10	20	CDCD	
CSC[C@@H](C)C(=O)NC[C@H](N)c1ccc(N(C)C)cc1	832274586	WBCFGSBHODQTTH-RISCZKNCSA-N	295.452	1.868	10	20	CDCD	
Cc1nnc(CC(=O)NCCc2ccc(O)c(O)c2)s1	830532209	STMRPZXDLCZTIV-UHFFFAOYSA-N	293.348	1.159	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN[C@@H](C)[C@@H]1CN(C)CCO1	840935880	DIRFJLWZPQIGMD-YOEHRIQHSA-N	291.439	1.870	10	20	CDCD	
CC1CCN(C(=O)C(=O)NCCc2ccc(N)cc2)CC1	842242386	RTWMFRNVEPBKTJ-UHFFFAOYSA-N	289.379	1.186	10	20	CDCD	
C[C@H](O)CC(C)(C)CNC(=O)c1cc(O)cs1	743575044	LZFHVAPPVJVENT-QMMMGPOBSA-N	257.355	1.981	10	20	CDCD	
CN(C)CC(C)(C)CNC(=S)NCc1cccn1C	743060761	AKWLNJOOECJJHD-UHFFFAOYSA-N	282.457	1.577	10	20	CDCD	
CNC[C@@H]1CCCN(Cc2cc(OC)c(OC)cc2O)C1	843044045	AXOSKVFGANMIHF-LBPRGKRZSA-N	294.395	1.841	10	20	CDCD	
Nc1ccc(CCN[C@@H]2CC[C@@H]3CNC[C@@H]3C2)cc1	843126090	NHXJRIRYBORWJD-IJEWVQPXSA-N	259.397	1.789	10	20	CDCD	
COc1cccc([C@H](C)NC[C@H](O)CN2CCCC2)c1O	846147059	VFUMGHUEJAHAGE-STQMWFEESA-N	294.395	1.508	10	20	CDCD	
C[C@H](NCc1ccc2c(c1)CCCO2)[C@H]1CN(C)CCO1	921864083	RTDGQZXSHCHQBU-SUMWQHHRSA-N	290.407	1.820	10	20	CDCD	
CCN(CC)c1ccc(CN(C)C[C@@H](O)[C@@H](C)O)cc1	929185738	YEOXZYPRYBLPHX-CZUORRHYSA-N	280.412	1.706	10	20	CDCD	
C[C@@H](N[C@H](C)c1cc(F)cc(F)c1O)C(=O)N(C)C	756740411	VRBOIMBYSCLNBB-HTQZYQBOSA-N	272.295	1.798	10	20	CDCD	
CC[C@@H](O)CNC(=O)NCc1ccc(N(C)C)cc1C	853749619	XOBXRCOFOYWTSM-CQSZACIVSA-N	279.384	1.631	10	20	CDCD	
O=C(O)[C@H](CNCc1cc2c(cc1O)OCO2)C1CCC1	854248371	VLCBOLYVCWLBNZ-LLVKDONJSA-N	293.319	1.711	10	20	CDCD	
O=C(O)[C@]12COC[C@H]1CN(Cc1cc(F)ccc1O)C2	854242363	JWJLCCOJMOFOPQ-QMTHXVAHSA-N	281.283	1.064	10	20	CDCD	
Cc1cc(COC(=O)c2cc(O)cs2)nn1C	768033531	UDPBKPXVUHLBML-UHFFFAOYSA-N	252.295	1.853	10	20	CDCD	
Cc1ccncc1N(C)C(=O)/C=C/c1cnn(C)c1	766829227	DDTOSFYVVYPYGB-SNAWJCMRSA-N	256.309	1.800	10	20	CDCD	
CCOc1ccc(CN2C[C@@H]3CC[C@H](C2)N3)c(O)c1	873215795	FQZDNVYWUBOGLB-BETUJISGSA-N	262.353	1.727	10	20	CDCD	
COCC[C@](C)(O)CNC(=O)/C=C\c1ccc(O)c(O)c1	779525355	KNTYIFVHBUDVKC-VOKGJARPSA-N	295.335	1.015	10	20	CDCD	
CC(=O)N[C@@H](CC(C)C)C(=O)NCCc1ccc(N)cc1	876527913	MTNBEEPQKFKMIV-HNNXBMFYSA-N	291.395	1.478	10	20	CDCD	
CC[C@@]1(O)CCN(Cc2ccc(N3CCOCC3)cc2)C1	779217188	QNRVUKGVZZBBEV-QGZVFWFLSA-N	290.407	1.870	10	20	CDCD	
CN1CC=C(CNC(=O)c2cc(O)cs2)CC1	776247181	AVBZPYYEJHMGPP-UHFFFAOYSA-N	252.339	1.445	10	20	CDCD	
OC[C@H](NCc1cc(F)cc(F)c1O)C1CCOCC1	883086510	XPEYIQOYQWVCEA-ZDUSSCGKSA-N	287.306	1.548	10	20	CDCD	
C[C@@H](NC(=O)CN1CCCC1=O)c1ccc(N(C)C)cc1	773014415	JVMARQHJGFRKIA-GFCCVEGCSA-N	289.379	1.552	10	20	CDCD	
CC(C)N1C[C@H](NCc2cc(F)cc(F)c2O)CC1=O	883016456	ZTTZHJVAPSHCPN-LLVKDONJSA-N	284.306	1.769	10	20	CDCD	
COC/C=C/C(=O)OCC(=O)c1ccc(O)c(O)c1	786595082	GOFBKXDNMHKGKG-NSCUHMNNSA-N	266.249	1.026	10	20	CDCD	
C[C@@H](NC(=O)NCCCNC1CC1)c1ccccc1O	891967411	BPVWRMQTZHTRRZ-LLVKDONJSA-N	277.368	1.895	10	20	CDCD	
OC[C@@]12C[C@H]1CN(Cc1cc(Cl)ccc1O)C2	783747085	ZSESDZQKRZGXEX-GWCFXTLKSA-N	253.729	1.860	10	20	CDCD	
CN(CCO)Cc1cc(Br)cc(F)c1O	893871147	KUZCNFABVASGPT-UHFFFAOYSA-N	278.121	1.718	10	20	CDCD	
COc1ccc(CN[C@H]2CO[C@H](C)C2)c(O)c1OC	895124278	NQTYGQKVKUOWKI-MWLCHTKSSA-N	267.325	1.676	10	20	CDCD	
CC[C@@H](NC(=O)c1c(F)ccc(O)c1O)[C@@H]1CCCO1	790075778	NTYGYLFYBRHJQG-KOLCDFICSA-N	283.299	1.924	10	20	CDCD	
COc1ccc(CNC(=O)c2cccnc2OC)c(O)c1	794377265	QRKJUEGRBJIRHY-UHFFFAOYSA-N	288.303	1.734	10	20	CDCD	
Nc1ccc(CC(=O)N[C@H]2CC[C@H](CO)CC2)cc1	1523587305	UVZDGNPWBIZRGI-MQMHXKEQSA-N	262.353	1.479	10	20	CDCD	
COCCOCCC(=O)Nc1c(Cl)ccc2nonc12	1326697356	CISAPCRUBXVQAO-UHFFFAOYSA-N	299.714	1.868	10	20	CDCD	
C[C@@H](NCc1ccc(Br)cc1O)C(=O)O	691403777	OCRVREIKTNIDSH-ZCFIWIBFSA-N	274.114	1.717	10	20	CDCD	
C[C@@H]1CCN1C(=O)C(=O)NCCCSc1nccs1	1331506401	XIJKIVGNHPGYKX-SECBINFHSA-N	299.421	1.362	10	20	CDCD	
CN(C)c1ccc(CN[C@@H]2CCO[C@](C)(C(=O)O)C2)cc1	1332031734	XVPDAYUKFGBJCH-CJNGLKHVSA-N	292.379	1.865	10	20	CDCD	
C[C@@H](NC[C@H]1CN(C)CCN1C)c1cc(F)ccc1O	94618240	DDGDQEYVHYGYTN-YPMHNXCESA-N	281.375	1.428	10	20	CDCD	
C[C@H]1[C@@H](C)NCCN1C(=O)NCc1ccc(N)cc1	1337070857	YHOWLGVGKILBPY-MNOVXSKESA-N	262.357	1.161	10	20	CDCD	
CCN(CC)C(=O)N1CCN(Cc2ccc(N)cc2)CC1	1334773874	AGHFKEWTNHNFAT-UHFFFAOYSA-N	290.411	1.848	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)NCC1(N)CC1	1336032939	GYPVWHFDLULKBY-UHFFFAOYSA-N	276.384	1.352	10	20	CDCD	
CC1(O)CCC(NC(=O)NCc2ccc(N)cc2)CC1	1262576977	DVEJHYFQRBQFQW-UHFFFAOYSA-N	277.368	1.762	10	20	CDCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]1C[C@@H]1F	1263703392	RIIGVENJIHLALC-GJZGRUSLSA-N	292.354	1.840	10	20	CDCD	
Nc1ccc(CNC(=O)N[C@@H]2CCCC[C@H]2N)cc1	1357792175	UDLOXPMNIBKKDQ-CHWSQXEVSA-N	262.357	1.338	10	20	CDCD	
NC[C@H]1CCCC[C@H]1NC(=O)NCc1ccc(N)cc1	1357465174	ZZPORZJZKLQZMJ-TZMCWYRMSA-N	276.384	1.586	10	20	CDCD	
O=C(O)[C@H]1CC[C@H](C(=O)NCc2ccc(O)c(O)c2)CC1	1602213367	SRMMCUWINNSMHR-XYPYZODXSA-N	293.319	1.605	10	20	CDCD	
CN(Cc1ccc(N2CCCC2)cc1)C(=O)CCCN	1573876880	XOSMIWIYPJKRJH-UHFFFAOYSA-N	275.396	1.984	10	20	CDCD	
CS(=O)(=O)CCCCCNCc1ccc(N)cc1	1579336935	KZHHICCYQGOZMP-UHFFFAOYSA-N	270.398	1.573	10	20	CDCD	
C[C@H](NS(=O)(=O)C1(C(=O)O)CCC1)c1ccccc1O	1599901376	DSYAQJFGNBTEJT-VIFPVBQESA-N	299.348	1.380	10	20	CDCD	
CCOc1cccc(CNCCc2ccn(C)n2)c1O	230882682	WVTRREJVFOXDSC-UHFFFAOYSA-N	275.352	1.857	10	20	CDCD	
CN(CCNC(=O)c1cccc(O)c1O)C1CCCC1	126409627	GRBJRNRKJZDMEK-UHFFFAOYSA-N	278.352	1.702	10	20	CDCD	
Nc1ccc(CC(=O)N[C@@H]2CCO[C@H]2C2CC2)cc1	236389445	CDWJXOXQQOSJNF-HIFRSBDPSA-N	260.337	1.495	10	20	CDCD	
CC(C)OCCS(=O)(=O)N(C)Cc1ccccc1O	159633814	INLANKWEGNGUSF-UHFFFAOYSA-N	287.381	1.579	10	20	CDCD	
COc1cccc(CN2CCN[C@H](C)[C@H]2C)c1O	379438475	OYLMKRJSPPKESP-GHMZBOCLSA-N	250.342	1.583	10	20	CDCD	
COc1ccc(N2CC[C@H](CNC(=O)N(C)C)C2)cc1	62575059	GIJVMXBFMSBRMG-GFCCVEGCSA-N	277.368	1.793	10	20	CDCD	
Cc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)c(O)c1O	179531168	HRCQJTGAVACQKE-NEPJUHHUSA-N	290.363	1.715	10	20	CDCD	
Cc1ccc(C(=O)NCCN2CCC[C@H](C)C2)c(O)c1O	177672348	FUPZCZHSXWDPJF-NSHDSACASA-N	292.379	1.868	10	20	CDCD	
CC[C@H](CCO)NC(=O)/C=C/c1ccc(O)c(O)c1	181213337	OUOKBGFIJTVTSS-DUMNWFOQSA-N	265.309	1.388	10	20	CDCD	
C[C@@H](C[C@H](O)c1ccco1)NC(=O)c1cccc(O)c1O	185842920	IPIOCABZTKLSGO-CABZTGNLSA-N	291.303	1.933	10	20	CDCD	
CCNC(=O)NC(=O)CN(C)c1ccc(OC)c(Cl)c1	121902765	GXSFKXIYGYLNBF-UHFFFAOYSA-N	299.758	1.631	10	20	CDCD	
Cc1cc(NS(=O)(=O)N(C)C)c(C)c(C)c1O	187062498	QWICABJNBOPHBD-UHFFFAOYSA-N	258.343	1.536	10	20	CDCD	
Cc1ccc(Cl)cc1NC=C1C(=O)NC(=S)NC1=O	48402818	NXAUGRBWLCHVRZ-UHFFFAOYSA-N	295.751	1.475	10	20	CDCD	
C[C@H]1CCNC(=O)[C@H]1NCc1ccc(N(C)C)cc1	193588538	DRIVEPKQWPJAID-FZMZJTMJSA-N	261.369	1.367	10	20	CDCD	
C[C@@H](CCO)N[C@@H](C)c1ccc(N2CCOCC2)cc1	269011196	MXZOMBMMPKSTRY-KBPBESRZSA-N	278.396	1.945	10	20	CDCD	
COC(=O)[C@@]1(F)CCN(Cc2cc(F)ccc2O)C1	272378057	HIZUSIGOSAFKFW-CYBMUJFWSA-N	271.263	1.618	10	20	CDCD	
CCNC(=O)C1(CNC(=O)c2cccc(O)c2O)CCC1	277139471	VBSVYYDUYQZRHU-UHFFFAOYSA-N	292.335	1.134	10	20	CDCD	
Cc1cccc(CN2CCN(C[C@H](C)O)C[C@H]2C)c1O	284291079	IBTIXNSQSSRBEB-KGLIPLIRSA-N	278.396	1.588	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN(C)CCN(C)C)c1O	289875050	RNUGZPMCOBEXHZ-UHFFFAOYSA-N	283.328	1.302	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCC([C@@H]2CCOC2)CC1	375677294	JFDVAQGYQYZMEU-GFCCVEGCSA-N	291.347	1.987	10	20	CDCD	
C[C@@H]1CN(C(=O)c2cccc(O)c2O)C[C@@]2(CCOC2)O1	280507376	LGPDCMZXNLMZME-MEBBXXQBSA-N	293.319	1.118	10	20	CDCD	
CCNC(=O)[C@@H](NCc1ccc2c(c1)CCO2)C(C)C	293074181	VSEGQEUXEGKIPK-HNNXBMFYSA-N	276.380	1.872	10	20	CDCD	
CCCN(CC(N)=O)Cc1c(O)ccc(Cl)c1F	814177542	GRMAPZPGJLCZQK-UHFFFAOYSA-N	274.723	1.882	10	20	CDCD	
O=S(=O)(CCOCC1CC1)Nc1ccc(O)cc1F	818049202	WOPALEXKWNXZRN-UHFFFAOYSA-N	289.328	1.700	10	20	CDCD	
COC(OC)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	822082082	IVCGSWQWEXAYIO-SNVBAGLBSA-N	266.341	1.549	10	20	CDCD	
Cc1ccc(C(=O)N2C[C@@H]3[C@@H](C2)[C@H]2C=C[C@H]3O2)c(O)c1O	836840878	IDDWWMGNJZMIHC-FDYHWXHSSA-N	287.315	1.432	10	20	CDCD	
C[C@@](CCF)(NCc1ccc2c(c1)CCO2)C(=O)O	901915831	QMVVBBDHVNIQIT-AWEZNQCLSA-N	267.300	1.914	10	20	CDCD	
CN(CCCC(=O)NCc1ccc(N(C)C)cc1)C(=O)O	737427429	SHSSUYCFYDUCIN-UHFFFAOYSA-N	293.367	1.759	10	20	CDCD	
O=C1NCC[C@H]1C(=O)NCc1c(O)ccc2c1CCCC2	830559807	WAYVQAHDHUVZRX-GFCCVEGCSA-N	288.347	1.023	10	20	CDCD	
C[C@@H](OC(=O)c1cc(O)cs1)C(=O)C1CCOCC1	837515097	RAYXBGZNINDWDI-MRVPVSSYSA-N	284.333	1.995	10	20	CDCD	
C[C@@H](CC(=O)O)NCc1ccc(N2CCOCC2)cc1	738891811	QFLDZJFFCBNURX-LBPRGKRZSA-N	278.352	1.476	10	20	CDCD	
O=C1[C@H](NCc2ccc3c(c2)CCO3)C[C@H]2CCCCN12	835072301	FLBZHHUHDFBIOY-HUUCEWRRSA-N	286.375	1.865	10	20	CDCD	
C[C@H](N)[C@H]1CCCN(Cc2cc3c(cc2O)OCO3)C1	843051079	DHWMANPGQLNWPL-QWRGUYRKSA-N	278.352	1.680	10	20	CDCD	
CCn1cnnc1CN[C@H](C)c1cccc(OC)c1O	846140182	IFUNUNIFGDZRFE-SNVBAGLBSA-N	276.340	1.863	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)c1cc2n(n1)CCCC2	910945802	ZBFMEXKYMANCMC-UHFFFAOYSA-N	287.319	1.561	10	20	CDCD	
CCN1C[C@H](CNCc2cccc(OC)c2O)CC1=O	846094306	SGEBCHJCIVVEPW-NSHDSACASA-N	278.352	1.359	10	20	CDCD	
CCc1cccc(CN2CCO[C@@H](C(=O)OC)C2)c1O	848886767	WHUIKJAWEWBCPU-CYBMUJFWSA-N	279.336	1.328	10	20	CDCD	
CN(CCN)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1	841100465	ILILNJKHXKGVDK-UHFFFAOYSA-N	292.383	1.976	10	20	CDCD	
Cc1cccc(CN[C@@H](C(=O)O)c2ccnn2C)c1O	843037990	CTAMXOCYTDRRBO-GFCCVEGCSA-N	275.308	1.350	10	20	CDCD	
CC1(C)COCCN1CCNC(=O)Nc1ccc(N)cc1	841300962	XXPDWKSCQMINDU-UHFFFAOYSA-N	292.383	1.501	10	20	CDCD	
C[C@H](N)CCNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1	841882571	KLVOMBDLTAIDTK-RYUDHWBXSA-N	278.400	1.850	10	20	CDCD	
C[C@@H](NS(=O)(=O)c1ccnn1C)c1ccccc1O	867834310	MBSUDPFUONGKIX-SECBINFHSA-N	281.337	1.165	10	20	CDCD	
C[C@@H](NC[C@@]1(O)CCN(C)C1)c1ccc(Cl)cc1O	841752221	NBITWEQFAKIDFJ-YGRLFVJLSA-N	284.787	1.763	10	20	CDCD	
C[C@@H](CC(=O)NCc1ccc(N)cc1)n1ccnc1	846297915	LVJRVOVNLWOMRC-NSHDSACASA-N	258.325	1.733	10	20	CDCD	
CCCCN(C(=O)C(=O)Nc1ccc(N)cc1)C1CC1	841015141	DWZNAUQHMUMTIU-UHFFFAOYSA-N	275.352	1.998	10	20	CDCD	
O=C(NCc1cc(Cl)ccc1O)c1cccc[n+]1[O-]	857547736	RMMIBXVZXMLFQV-UHFFFAOYSA-N	278.695	1.609	10	20	CDCD	
Cc1cc(CNCc2cc([N+](=O)[O-])ccc2O)ncn1	756991460	STRZLTAFOHMKSH-UHFFFAOYSA-N	274.280	1.689	10	20	CDCD	
C[C@H](CNCc1ccc(N(C)C)cc1)S(C)(=O)=O	697579506	LGJOCBUFXTYRRL-LLVKDONJSA-N	270.398	1.275	10	20	CDCD	
COC(=O)C[C@H](CNC(=O)Cc1ccc(N)cc1)C1CC1	852910223	OVGGPYOGVPYHNN-CYBMUJFWSA-N	290.363	1.517	10	20	CDCD	
CCCCNC(=O)COC(=O)c1ccc(C)c(O)c1O	750619449	POOZBQZJGCUTFB-UHFFFAOYSA-N	281.308	1.479	10	20	CDCD	
COc1cc(C)cc(CN2CC[C@@H](OC)C2)c1O	754738327	XXGXSTUDIBVSDQ-GFCCVEGCSA-N	251.326	1.930	10	20	CDCD	
CON(C)C(=O)[C@H](C)NCc1cc(Cl)c(C)cc1O	862539263	LGVMVMXAESEJSC-VIFPVBQESA-N	286.759	1.852	10	20	CDCD	
CC[C@H]1C(=O)NCCN1Cc1c(O)cccc1OC	769320120	IFYLLHWOHXEDET-NSHDSACASA-N	264.325	1.111	10	20	CDCD	
COCC1CCN(Cc2cc3c(cc2O)OC[C@H]3O)CC1	768448730	WEJSXXNZIBHDOW-OAHLLOKOSA-N	293.363	1.676	10	20	CDCD	
C[C@@H]1CCN(C(=O)c2cc(O)cs2)CC[S@]1=O	760922583	RMJVTUJBTLVCTG-CQLKUDPESA-N	273.379	1.437	10	20	CDCD	
CN(Cc1cc2c(cc1O)OC[C@H]2O)C[C@H]1CCCCO1	768442602	MHRZRFJEGKCEAP-IUODEOHRSA-N	293.363	1.819	10	20	CDCD	
COCCn1cc(CNCc2ccc(C)cc2O)cn1	877498220	OAEZUGIJTFYWCG-UHFFFAOYSA-N	275.352	1.833	10	20	CDCD	
CC[C@H](NCc1ccc(C)cc1O)C(=O)N1CCOCC1	877077168	YJJCVKUCGHKYFT-AWEZNQCLSA-N	292.379	1.428	10	20	CDCD	
O=C(N[C@H](CO)c1ccccc1)c1cc(O)cs1	776194434	MGVWPXYXVMDXII-LLVKDONJSA-N	263.318	1.917	10	20	CDCD	
Cc1ccc(C(=O)O[C@H]2CCCN(C)C2=O)c(O)c1O	778792072	HKMHGGVGHNQTBQ-JTQLQIEISA-N	279.292	1.184	10	20	CDCD	
C[C@@H](NCc1cc(F)cc(F)c1O)C(=O)NCCF	883112526	OYTOTLFXZJSUSE-SSDOTTSWSA-N	276.258	1.234	10	20	CDCD	
C[C@H]1C(=O)NCCCN1Cc1c(O)ccc2ccncc12	788044599	NVSAJNGNZOQQDH-NSHDSACASA-N	285.347	1.651	10	20	CDCD	
COc1ccc(CN2CC(=O)N(C3CC3)C2)c(O)c1OC	894128349	SWIHMKZHTFVOCE-UHFFFAOYSA-N	292.335	1.174	10	20	CDCD	
COc1cccc(CN2CCC[C@@]2(C)CO)c1O	789557806	NQWCICIACXGJBN-AWEZNQCLSA-N	251.326	1.748	10	20	CDCD	
O=C1OCC[C@@H]1NCc1cccc(Br)c1O	895800237	XMSNYUHNBZQXGV-VIFPVBQESA-N	286.125	1.560	10	20	CDCD	
Cc1nc(COC(=O)/C=C\c2ccc(O)c(O)c2)n[nH]1	795492889	YXBCKIPEKLASSI-HYXAFXHYSA-N	275.264	1.281	10	20	CDCD	
COc1ccc(CNC(=O)NOCC(C)C)c(O)c1	793007794	JGCAKYMBWVSHLZ-UHFFFAOYSA-N	268.313	1.788	10	20	CDCD	
COc1ccc(N2CC[C@@H](CNC[C@H](C)O)C2)cc1	76360850	QSVCHWLWSAHBMC-STQMWFEESA-N	264.369	1.492	10	20	CDCD	
OC[C@H](CC1CC1)NCc1cc2c(cc1O)OCO2	754835034	RMOFYTHNFDMFIN-NSHDSACASA-N	265.309	1.372	10	20	CDCD	
Nc1ccc(CC(=O)N[C@H]2CCN3CCC[C@H]3C2)cc1	250235836	DLJWJQRWSLNBRF-GJZGRUSLSA-N	273.380	1.554	10	20	CDCD	
C[C@H]1CCN(C(=O)C(=O)NCCc2ccc(N)cc2)[C@@H]1C	1325428760	TWHYPUYXSNCTDV-NWDGAFQWSA-N	289.379	1.184	10	20	CDCD	
CN(Cc1ccc(N2CCCC2)cc1)C[C@@H](O)CN	1328682393	SKRXTHIOCJUSEQ-HNNXBMFYSA-N	263.385	1.038	10	20	CDCD	
Cc1ccc([C@H](C)NC[C@H]2CN(C)CCN2C)c(O)c1	68800529	KPPGIUKOZPLNFD-KBPBESRZSA-N	277.412	1.597	10	20	CDCD	
Nc1ccc(CNC(=O)N2CC[C@@H](O)C23CCCC3)cc1	1338794030	WWYKEICCSOSMCF-CQSZACIVSA-N	289.379	1.858	10	20	CDCD	
CCn1[nH]cnc1=NCc1ccc(N(C)C)c(F)c1	1339465750	YCRQUXVZLKZFFW-UHFFFAOYSA-N	263.320	1.537	10	20	CDCD	
CC1(CCNC(=O)C(=O)NCCc2ccc(N)cc2)CC1	1348597596	YZWXTZFFESRVQC-UHFFFAOYSA-N	289.379	1.234	10	20	CDCD	
CCOC[C@@H](O)CSc1ncc(C(=O)O)s1	1605623740	OSCVIMHCONHREM-ZCFIWIBFSA-N	263.340	1.331	10	20	CDCD	
O=C(O)[C@H]1CCCN(C(=O)c2c(F)ccc(O)c2O)C1	1602211971	XFXWQQXSFOTBOG-ZETCQYMHSA-N	283.255	1.174	10	20	CDCD	
Nc1ccc(CNC(=O)NC[C@H](CC(=O)O)C2CC2)cc1	1601215481	AVDHSXHXRXNNGB-LBPRGKRZSA-N	291.351	1.569	10	20	CDCD	
CCNC(=O)CN(CC)Cc1cc2c(cc1O)OCO2	105717301	YZIUFLYTJZDLMF-UHFFFAOYSA-N	280.324	1.079	10	20	CDCD	
CC(=O)Nc1ccc(O)c(C(=O)NCc2ccc(N)cc2)c1	1575023406	VULRCMIUUJJOOW-UHFFFAOYSA-N	299.330	1.863	10	20	CDCD	
CC1(C)CNC[C@@H]1NC(=O)/C=C/c1ccc(O)c(O)c1	1576472283	GOIPGWQCJBDZBA-BPJJOFIESA-N	276.336	1.225	10	20	CDCD	
C[C@H](NC[C@]1(C)CCC(=O)N1)c1cc(C(=O)O)ccc1O	1593246819	CRXAFZKHPHUGRL-VFZGTOFNSA-N	292.335	1.410	10	20	CDCD	
CCN1C(=O)/C(=C\c2cn(C)nc2C)SC1=S	5900666	YWLGVSLWJWQNLH-WEVVVXLNSA-N	267.379	1.950	10	20	CDCD	
CC[C@@H]1C(=O)NCCN1Cc1cc2c(cc1O)CCCC2	160158895	YHBTWTIXTWIUCN-OAHLLOKOSA-N	288.391	1.981	10	20	CDCD	
CCOc1cccc(CNC[C@]2(O)CCO[C@@H]2C)c1O	227976294	RVROYRDVFVEVSJ-IAQYHMDHSA-N	281.352	1.420	10	20	CDCD	
C[C@H](NC[C@H]1COCCO1)c1ccc(N(C)C)cc1	38060940	NUBZLKHHZJRSJY-WFASDCNBSA-N	264.369	1.819	10	20	CDCD	
C[C@@H](NC[C@@H]1CN(C)CCN1C)c1ccccc1O	68800504	MLCJIKCUKIHMPS-CHWSQXEVSA-N	263.385	1.289	10	20	CDCD	
CN1C[C@@H](NCc2c(O)cccc2Br)CC1=O	706852121	QSOBITHGQYOXKO-QMMMGPOBSA-N	299.168	1.475	10	20	CDCD	
OC[C@H](CC(F)(F)F)NCc1cc2c(cc1O)OCO2	717808726	BHKJNTUVFBRKMM-QMMMGPOBSA-N	293.241	1.524	10	20	CDCD	
CCN(CCSC)C(=O)c1cccc(O)c1O	844122772	MWGCIWLAUPAONZ-UHFFFAOYSA-N	255.339	1.923	10	20	CDCD	
C[C@@H](CO)CNC(=O)NCc1ccc(N(C)C)cc1	53754922	PFKFKPPUGZCJGS-LLVKDONJSA-N	265.357	1.180	10	20	CDCD	
COCCCS(=O)(=O)NCc1ccc(N(C)C)cc1	111325877	GYDWCUFTZUSRRO-UHFFFAOYSA-N	286.397	1.209	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)NCCc1ccnn1C	184999700	ZFHMTCYJKDKFIS-UHFFFAOYSA-N	288.351	1.510	10	20	CDCD	
CC(C)(O)CN(Cc1cc2c(cc1O)OCO2)C1CC1	189942663	GBYGWPRRFAJPKY-UHFFFAOYSA-N	279.336	1.856	10	20	CDCD	
Cc1ccc(C(=O)N2CCOc3cc(N(C)C)ccc32)nn1	413533418	QAXZKXMORPJHKG-UHFFFAOYSA-N	298.346	1.890	10	20	CDCD	
Cc1nnc(SCC(=O)c2ccc(O)c(O)c2)o1	48402764	DVQSGEIWQCYOQN-UHFFFAOYSA-N	266.278	1.764	10	20	CDCD	
COc1ccc(CNC[C@@H]2CCCS(=O)(=O)C2)cc1C	290112068	LFHWTAZXUNHJKD-AWEZNQCLSA-N	297.420	1.918	10	20	CDCD	
COC[C@H](CCO)N[C@H](C)c1ccc(N(C)C)cc1	223946918	TUFVLEZMEODTEK-OCCSQVGLSA-N	266.385	1.801	10	20	CDCD	
O=C1C[C@@H](NCc2c(O)cccc2Cl)CN1C1CC1	267751969	MNCZZNIFBUPZGU-SECBINFHSA-N	280.755	1.899	10	20	CDCD	
COC(=O)[C@]1(C)CCN(C(=O)c2ccc(C)c(O)c2O)C1	271236481	CKGJQKSOFGPJDI-OAHLLOKOSA-N	293.319	1.431	10	20	CDCD	
COCC[C@H]1NC(=O)N(Cc2ccc(N(C)C)cc2)C1=O	285841374	HANKYQSQUYHJOV-CYBMUJFWSA-N	291.351	1.210	10	20	CDCD	
CCOc1ccc(O)c(CN(C)[C@@H](CC)CO)c1	295190914	XGIJDZQOSYFMIF-LBPRGKRZSA-N	253.342	1.994	10	20	CDCD	
C[C@@H]1CCN[C@H](C)[C@H]1NC(=O)Cc1ccc(N)cc1	295084453	SLPSRCMFVPCTHF-HFAKWTLXSA-N	261.369	1.314	10	20	CDCD	
Cc1cc(CN(C)[C@H]2CCS(=O)(=O)C2)ccc1N(C)C	293548178	QZMNSJCDRRPKQR-AWEZNQCLSA-N	296.436	1.680	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N2CCC(O)CC2)cc1F	299413085	HTJFONVDEDDPDJ-UHFFFAOYSA-N	295.358	1.558	10	20	CDCD	
COCCNCCN[C@@H]1CCc2cccc(O)c21	817965043	NXLGLZZIZZMASA-GFCCVEGCSA-N	250.342	1.205	10	20	CDCD	
COc1cccc(O)c1CN1C[C@@H](C)C[C@@H](CO)C1	817412269	HMOXKOWUZKHURU-NWDGAFQWSA-N	265.353	1.851	10	20	CDCD	
CCOc1ccc(O)c(CN(C)C[C@H]2COCCO2)c1	827140319	JZTVAVCRBARORY-AWEZNQCLSA-N	281.352	1.638	10	20	CDCD	
CC[C@H](OC)C(=O)NCc1cc(OC)ccc1O	734017508	KQQHNIBHNSVSBF-LBPRGKRZSA-N	253.298	1.442	10	20	CDCD	
C[C@H](CN)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	827725943	QPAVGMUXAKTLNZ-CHWSQXEVSA-N	291.395	1.295	10	20	CDCD	
CC(C)N(C)CC(=O)NC[C@@H](N)c1ccc(N(C)C)cc1	832280529	PASSGDXKZWULCZ-OAHLLOKOSA-N	292.427	1.209	10	20	CDCD	
C[C@H]1[C@@H](C)N(C)C(=O)[C@@H](C)N1C(=O)c1cccc(O)c1O	912015913	VPVSCNLXZDDGCK-KXUCPTDWSA-N	292.335	1.178	10	20	CDCD	
Cn1nnc2c1CC[C@H](N[C@@H]1CCc3cccc(O)c31)C2	848563894	YQSYFAFCKARMIU-NWDGAFQWSA-N	284.363	1.655	10	20	CDCD	
CC(=O)NCCN(C)Cc1cc2c(cc1O)CCCC2	842636062	UFBORWYRMVESBY-UHFFFAOYSA-N	276.380	1.839	10	20	CDCD	
Nc1ccc(NC(=O)C(=O)NCC2(C3CC3)CCC2)cc1	841074036	KVVVWJAIQDGYMN-UHFFFAOYSA-N	287.363	1.904	10	20	CDCD	
CCc1cccc(CNC[C@H]2CN3CCC[C@H]3CO2)c1O	848896118	SIQGEWAQJVAMSK-HOTGVXAUSA-N	290.407	1.907	10	20	CDCD	
COc1ccc(CNC(=O)[C@@H](C)Cc2cnc[nH]2)c(O)c1	848022424	ATPJKSJOUAZTAO-JTQLQIEISA-N	289.335	1.619	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H](C)OC)c1	852536769	IAMAEJJWLSRFQN-NXEZZACHSA-N	282.340	1.796	10	20	CDCD	
C[C@@H](N)CC(=O)NCc1ccc(N2CCC(O)CC2)cc1	852868807	OPFUNCNWALPZEQ-GFCCVEGCSA-N	291.395	1.001	10	20	CDCD	
CNC[C@@H](C)N[C@H](C)c1cc([N+](=O)[O-])ccc1O	854232295	OYHKPAQVGLTIAR-RKDXNWHRSA-N	253.302	1.559	10	20	CDCD	
CC[C@H](NCc1cc(F)c(N(C)C)cc1F)C(=O)NC	858175953	YJCZWPHGONWOKS-LBPRGKRZSA-N	285.338	1.645	10	20	CDCD	
CCOc1cccc(CN[C@H]2CCC[C@@H]2C(=O)NC)c1O	765797244	RBBWRVFJLFEVNB-STQMWFEESA-N	292.379	1.795	10	20	CDCD	
C[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1ncon1	779540941	UUYTZWXMXJBVNI-NHLYECAPSA-N	275.264	1.371	10	20	CDCD	
Cc1ccc(CNCCC2(C)OCCO2)c(O)c1	877347319	UAYWECXCUWTUNV-UHFFFAOYSA-N	251.326	1.943	10	20	CDCD	
CN(C)CCOc1ccc(N(C)CC23CC(CN2)C3)cc1	873210239	ZTEWINBYRPANBL-UHFFFAOYSA-N	289.423	1.815	10	20	CDCD	
COCc1nc(NCc2ccccc2O)cc(OC)n1	772021101	NNHNYGOIDSXHRP-UHFFFAOYSA-N	275.308	1.949	10	20	CDCD	
C[C@@H](NCC[C@@H]1CCS(=O)(=O)C1)c1ccccc1O	879649626	ZNMHAYLKFDOOPH-VXGBXAGGSA-N	283.393	1.868	10	20	CDCD	
CC1=C(C(=O)NCc2ccc(O)c(O)c2)C(=O)OC1(C)C	778915841	WIGUNMXAJXUKJX-UHFFFAOYSA-N	291.303	1.366	10	20	CDCD	
O=C(NCc1cccc(O)c1O)c1cn2c(n1)CCC2	1123887281	AGNLISMIBYUNGJ-UHFFFAOYSA-N	273.292	1.171	10	20	CDCD	
CCO[C@@H]1C[C@@](O)(CNC(=O)c2cc(O)cs2)C1(C)C	789919035	QWQWBULKYOYJCW-BXUZGUMPSA-N	299.392	1.750	10	20	CDCD	
COc1cccc(O)c1CN1C[C@H]2CN(C(C)=O)C[C@H]2C1	895575439	DVZMTHRXRBZXMQ-BETUJISGSA-N	290.363	1.311	10	20	CDCD	
COCCCCNC(=O)NCc1ccc(OC)cc1O	792805288	CZZDOOCNPUQAEK-UHFFFAOYSA-N	282.340	1.627	10	20	CDCD	
COc1ccc(CNc2c([N+](=O)[O-])c(C)nn2C)c(O)c1	795285494	QBXKJDGADXSHRR-UHFFFAOYSA-N	292.295	1.963	10	20	CDCD	
COCCN1CC[C@H](N[C@@H](C)c2ccccc2O)C1	272830986	HWTBDOWGEPSCBE-STQMWFEESA-N	264.369	1.764	10	20	CDCD	
COc1ccc(O)c(CN(CC(=O)O)C(C)C)c1	86747995	HIRCZUKRXKPCQX-UHFFFAOYSA-N	253.298	1.696	10	20	CDCD	
COC(=O)c1cc(NCc2ccc(N)cc2)ncn1	705841199	PJQVPTVZHCZUJA-UHFFFAOYSA-N	258.281	1.458	10	20	CDCD	
COC(C)(C)CCNC(=O)c1cccc(O)c1O	711832677	OUVCCJNDMAUIRM-UHFFFAOYSA-N	253.298	1.643	10	20	CDCD	
COCCOCCN1CCCc2cc(CN)ccc21	70481011	LKOOQLGCSMYNSS-UHFFFAOYSA-N	264.369	1.561	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)NCC2(N)CC2)c1	1336972694	DMRPXKJFCKTROR-SECBINFHSA-N	279.340	1.252	10	20	CDCD	
O=C(NC1CC1)[C@@H]1CCCN(Cc2ccccc2O)C1	1337396117	OCZIJJVXBCLLHB-CYBMUJFWSA-N	274.364	1.883	10	20	CDCD	
CN(C[C@@H]1CCCN1C)C(=O)Nc1ccc(N)cc1	92633757	AIXZLYVUWITGKH-ZDUSSCGKSA-N	262.357	1.827	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)NCCCON)cc1	1346203232	HPKNDGIYNMRHHD-UHFFFAOYSA-N	294.399	1.612	10	20	CDCD	
CC[C@H]1CN(C(=O)NCc2ccc(N)cc2)C[C@@H](C)O1	1357792206	UOEQNWDCTNOFCH-RISCZKNCSA-N	277.368	1.978	10	20	CDCD	
C[C@@]1(O)CCCN(C(=O)NCc2ccc(N)cc2)C1	1357790564	DCBNRKLZXVTSDI-CQSZACIVSA-N	263.341	1.325	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2CC[C@@H](C(=O)O)C2)c1O	1604679809	FFZPGURPRABXNN-SECBINFHSA-N	296.279	1.216	10	20	CDCD	
NC(=O)c1csc(CNCc2ccc(N)cc2)c1	1580107843	RSNCLSMWMCIUNZ-UHFFFAOYSA-N	261.350	1.719	10	20	CDCD	
CC[C@@](COC)(NC(=O)c1cc(O)cs1)C(=O)O	1595194966	VJCSCHBTBHVULJ-NSHDSACASA-N	273.310	1.063	10	20	CDCD	
CC[C@H](N[C@@H]1CCOC1)c1cccc(-c2nn[nH]n2)c1O	1590467696	SPZNRLRTMHBKIJ-SKDRFNHKSA-N	289.339	1.402	10	20	CDCD	
C[C@@H](NC(=O)Cn1cc(C(=O)O)cn1)c1ccccc1O	1599838218	HHZNRJHIOYUMFV-SECBINFHSA-N	289.291	1.164	10	20	CDCD	
CCN1CCCc2cc(CN[C@H](C(=O)O)[C@@H](C)O)ccc21	1776875364	YXKRLNNLRCXJOE-ABAIWWIYSA-N	292.379	1.383	10	20	CDCD	
C[C@H]1C[C@@H](NCc2cc3c(cc2O)OCO3)CCO1	219923294	PYVVNMCYZYWACT-ONGXEEELSA-N	265.309	1.778	10	20	CDCD	
C[C@H]1CCC[C@]1(O)CNC(=O)c1cccc(O)c1O	294389407	SLTNWJGWIKSHAS-XPTSAGLGSA-N	265.309	1.379	10	20	CDCD	
COc1ccc(O)c(CN2CC[C@@H]3NCC[C@@H]3C2)c1	311856401	JTKAENINWNAOGU-RISCZKNCSA-N	262.353	1.585	10	20	CDCD	
CC[S@@](=O)CCNCc1cc(F)cc(F)c1O	708495371	WKKATXYQRKTLKI-QGZVFWFLSA-N	263.309	1.529	10	20	CDCD	
Cc1ccc([C@@H](C)NC[C@@H](O)CN(C)C)c(O)c1	717355858	XALNTWXVPWQRDB-VXGBXAGGSA-N	252.358	1.274	10	20	CDCD	
c1cc2c(cc1CNC[C@H]1CN3CCC[C@@H]3CO1)CCO2	112839299	MFXPTDRNEQZZAP-CVEARBPZSA-N	288.391	1.574	10	20	CDCD	
O=C(CCn1ccnn1)NCCCSc1nccs1	172197479	YZEYRDLAENPFHQ-UHFFFAOYSA-N	297.409	1.423	10	20	CDCD	
C[C@H]1[C@@H](C(=O)O)CCN1Cc1cc(F)ccc1O	235604333	LHXRMUYDOFDPCQ-KWQFWETISA-N	253.273	1.826	10	20	CDCD	
CN(CC(=O)NCc1cccnc1)c1ccc2c(c1)OCO2	121328871	MFIFOOLQDDDNBI-UHFFFAOYSA-N	299.330	1.563	10	20	CDCD	
Cc1ccc(C(=O)N[C@H](C)CN2CCCC2=O)c(O)c1O	182149007	BGCJHICZZPRGME-SNVBAGLBSA-N	292.335	1.147	10	20	CDCD	
C[C@@H](NCCNC(=O)c1ccn[nH]1)c1ccc(F)cc1O	186511037	AUSSMUQVGKFYFQ-SECBINFHSA-N	292.314	1.335	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2CC[C@H]1CCOC1=O	181134503	BPBANVHIFCPNMH-LBPRGKRZSA-N	290.363	1.905	10	20	CDCD	
NC(=O)CN(Cc1ccco1)Cc1ccccc1O	70975428	HOYYYQMTYFPDPF-UHFFFAOYSA-N	260.293	1.473	10	20	CDCD	
Cc1ccc(O)c(CN2CCS(=O)(=O)C[C@@H]2C)c1	179775104	XUPNJLIRYNQOCH-NSHDSACASA-N	269.366	1.320	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CN2CCCOCC2)cc1	363436913	REYCKZZQPQEZDD-UHFFFAOYSA-N	291.395	1.091	10	20	CDCD	
Cc1cccc(CN2CC[S@@](=O)C[C@@H](C)C2)c1O	277482920	MUTZYJCVJYOPEZ-BBATYDOGSA-N	267.394	1.901	10	20	CDCD	
CCc1cc(O)ccc1NS(=O)(=O)c1cn[nH]c1C	276782432	CCCLHMKWYOPXOT-UHFFFAOYSA-N	281.337	1.787	10	20	CDCD	
CN1CCCc2cc(CNC3CCN(C=O)CC3)ccc21	278675481	JMAXLANARZXIIL-UHFFFAOYSA-N	287.407	1.779	10	20	CDCD	
COCCCCNC(=O)c1c(F)ccc(O)c1O	276556700	IQKSFXOGOGQXJY-UHFFFAOYSA-N	257.261	1.393	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)c1cnc2n1CCCC2	371498422	VEEDFGSVPWGUEC-UHFFFAOYSA-N	287.319	1.561	10	20	CDCD	
O=C(NCCC1(O)CCOCC1)NCc1ccccc1O	286812063	JQAVMADMAAVNQV-UHFFFAOYSA-N	294.351	1.123	10	20	CDCD	
COCCN1CN(Cc2cccc(Cl)c2O)CC1=O	802659335	QIDYLEBPFFPXCS-UHFFFAOYSA-N	284.743	1.294	10	20	CDCD	
N[C@@H]1C[C@@H]1C(=O)NCCCSc1nccs1	818123349	RRMBHFOVARYUEJ-JGVFFNPUSA-N	257.384	1.089	10	20	CDCD	
C[C@H](NC[C@H]1CCCN1)c1cc([N+](=O)[O-])ccc1O	817953175	WMLKBMPAQBQWQY-VHSXEESVSA-N	265.313	1.703	10	20	CDCD	
COC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H](C)c1cc(OC)ccc1O	728978185	BGYGWNLGOBZRLQ-KPXOXKRLSA-N	293.319	1.387	10	20	CDCD	
Cc1nn(C)c(C)c1CC(=O)NCc1ccc(O)cc1O	827847067	YRYGUVRKLKVTHZ-UHFFFAOYSA-N	289.335	1.307	10	20	CDCD	
Cc1ncccc1/C=C1/SC(N2CCOCC2)=NC1=O	728786140	SFPLJDICMGAYJS-FMIVXFBMSA-N	289.360	1.693	10	20	CDCD	
O=C(O)C[C@]1(NCc2ccc3c(c2)CCO3)CCOC1	901836821	KOZOUFKDMCKJGR-OAHLLOKOSA-N	277.320	1.345	10	20	CDCD	
CNCCC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	827725984	RAZAZJJVXCDXGR-CYBMUJFWSA-N	291.395	1.310	10	20	CDCD	
C[C@@H](NC(=O)c1cc(O)cs1)C(=O)NC(C)(C)C	731871841	SOICBQNTEWMJRA-SSDOTTSWSA-N	270.354	1.487	10	20	CDCD	
C[C@H](N)C[C@@H](C)NC(=O)NCCc1ccc(N)cc1	831177984	HLXNXXSUOMPPFM-WDEREUQCSA-N	264.373	1.236	10	20	CDCD	
O=C(/C=C/C1CCOCC1)NCc1ccccc1O	735858163	XAMPJEWPALWUKE-AATRIKPKSA-N	261.321	1.991	10	20	CDCD	
CN(C)c1cc(F)c(CNc2cncc(CO)n2)cc1F	902102255	HSYATXHUFCYLLC-UHFFFAOYSA-N	294.305	1.925	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCN([C@H]2CCC[C@H]2O)CC1	732289055	KCHSRGOZQXIVOT-NWDGAFQWSA-N	296.392	1.125	10	20	CDCD	
CC[C@H](C)NC(=O)COC(=O)c1cc(O)cs1	732353025	BLFQXJPOVLFQCL-ZETCQYMHSA-N	257.311	1.525	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1CCOC1	837587970	NGWLHYVKMUTHMJ-XCRNYIDWSA-N	250.250	1.443	10	20	CDCD	
O=C(NCC1CC2(C1)OCCO2)c1cc(O)cs1	832182349	MLPDGUADYQJEDS-UHFFFAOYSA-N	269.322	1.337	10	20	CDCD	
O=C(CNC(=O)c1cc(O)cs1)NC1CCCC1	732279261	NLMSFTUXPBFUJY-UHFFFAOYSA-N	268.338	1.242	10	20	CDCD	
C[C@@H]1NC(=O)[C@H](C)N(C(=O)c2cc(O)cs2)[C@H]1C	911803026	MQQLXRJNIMGNSI-FXQIFTODSA-N	268.338	1.191	10	20	CDCD	
CCCN(C(=O)c1ccc(C)c(O)c1O)[C@@H]1CCN(C)C1	843990646	WIFVPZFKSYNSGD-GFCCVEGCSA-N	292.379	1.963	10	20	CDCD	
CN(C)c1ccc(CN(C)[C@@H]2CCNC2)cc1F	843049179	IIDXZPPCBVJZSL-GFCCVEGCSA-N	251.349	1.685	10	20	CDCD	
CN(C(=O)CNC(=O)c1cc(O)cs1)C1CCCCC1	748512810	NCFDUNOHQGQDNO-UHFFFAOYSA-N	296.392	1.975	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)c1c[nH]c(C(N)=O)c1	917311152	LYOZOGVACUJPSN-UHFFFAOYSA-N	273.292	1.091	10	20	CDCD	
Cn1c(O)nc2cc(C(=O)NCc3ccccc3O)ccc21	748346956	QWMGJNHOHRKLKS-UHFFFAOYSA-N	297.314	1.915	10	20	CDCD	
COc1cccc([C@@H](C)N[C@H](C)c2ncn(C)n2)c1O	846166208	UIVJFVLBOBLSPN-NXEZZACHSA-N	276.340	1.941	10	20	CDCD	
O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1C[C@H]2C[C@H]2N1	843489301	APEAOYIQAVWIDR-DFBGVHRSSA-N	286.375	1.638	10	20	CDCD	
CC[C@@H](NCc1ccc(N(C)C)cc1C)C(=O)NC	840952463	AETBVLIHTRCLES-CQSZACIVSA-N	263.385	1.675	10	20	CDCD	
CC[C@@H](NC[C@@H](O)Cn1ccnn1)c1ccc(F)cc1O	840803723	UTGVYRHMAKXBGV-DGCLKSJQSA-N	294.330	1.225	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(=O)cc[nH]1	929527104	CQMWNESKYJAWJW-UHFFFAOYSA-N	285.347	1.713	10	20	CDCD	
O=C(NCc1ccc(N2CCC(O)CC2)cc1)c1ccc[nH]1	856208374	NFYSVBZRWHJAFD-UHFFFAOYSA-N	299.374	1.906	10	20	CDCD	
C[C@H]1CN(C(=O)c2c(F)ccc(O)c2O)C[C@]1(C)CO	857335006	OZOYSXZULKWEKU-RMLUDKJBSA-N	283.299	1.327	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@H]2CCCc3nn[nH]c32)cc1	854270662	OHKLABMXPQMTJX-CYBMUJFWSA-N	299.378	1.607	10	20	CDCD	
Cn1ncc(C(=O)NCc2cc(Cl)ccc2O)n1	857548076	CBFPAHWIUKXWRH-UHFFFAOYSA-N	266.688	1.104	10	20	CDCD	
COC[C@](C)(CC(=O)OC)NCc1cc(F)ccc1O	757926751	NTKYYQDJKZYJQZ-AWEZNQCLSA-N	285.315	1.589	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NOC[C@@H]2CCOC2)c1	858384785	VWGANVURGMWCRL-LLVKDONJSA-N	280.324	1.468	10	20	CDCD	
CCOC(=O)c1cnc(S[C@@H](C)C(=O)OC)s1	853133149	HPEKRIHERMJSKU-LURJTMIESA-N	275.351	1.973	10	20	CDCD	
CCC[C@H](O)C(=O)NCc1ccc(N(C)C)cc1C	932942828	GOFJUEYMNPWJDC-AWEZNQCLSA-N	264.369	1.838	10	20	CDCD	
Cc1ccc(CN2CCN3C(=O)OC[C@H]3C2)c(O)c1	876766756	RDRJHVIXNSTCGY-GFCCVEGCSA-N	262.309	1.337	10	20	CDCD	
Cc1cc(C(=O)NC[C@H]2C[C@@H](N)C2)c(C)n1-c1ccccn1	870967973	GCYDUFCUMQGDFP-OKILXGFUSA-N	298.390	1.956	10	20	CDCD	
Cc1ccc(CNC[C@@H](O)c2cnn(C)c2)c(O)c1	877072946	YLLKSJUXSHNIDZ-CQSZACIVSA-N	261.325	1.257	10	20	CDCD	
C[C@H](NC(=O)[C@H](C)N(C)C)c1ccc(N(C)C)cc1	775402382	DXJPZPDBNMRJFK-RYUDHWBXSA-N	263.385	1.880	10	20	CDCD	
CN(CCN1CCCC1=O)Cc1cc(F)ccc1O	779021280	ZDWIGKNPNUTMAL-UHFFFAOYSA-N	266.316	1.586	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CC[C@H](O)[C@@H]2CCCC[C@@H]21	871200142	NICVLAZLZLKFLX-WXHSDQCUSA-N	291.347	1.863	10	20	CDCD	
C[C@@H](NC[C@@H]1CCNC(=O)CC1)c1ccccc1O	879649586	WSDMVPFIOSNVJR-NEPJUHHUSA-N	262.353	1.959	10	20	CDCD	
COCCOC[C@H](C)NCc1cc(OC)ccc1O	776217822	BCXGZOLWTVRRAV-NSHDSACASA-N	269.341	1.542	10	20	CDCD	
CCc1noc(COC(=O)/C=C/c2ccc(O)c(O)c2)n1	772777912	YRLZXLRYUXTHFL-GQCTYLIASA-N	290.275	1.800	10	20	CDCD	
C[C@@H]1C[C@@H](NCCN2CCNC2=O)c2c(O)ccc(F)c21	886745232	RKEXEXHEVXRKAO-MWLCHTKSSA-N	293.342	1.694	10	20	CDCD	
CNC(=O)C(C)(C)CN[C@H](C)c1c(O)cccc1F	886562234	UEQQUKVNAGEVPP-SECBINFHSA-N	268.332	1.954	10	20	CDCD	
CN1CCN(c2ccc(CNC(=O)NC3CC3)cc2)CC1	883039969	IUNHGVDBSYCZEB-UHFFFAOYSA-N	288.395	1.400	10	20	CDCD	
C[C@@H](NC(=O)NCCCON)c1ccc(N(C)C)cc1	1120529425	NOLHMYWWRVUVFW-LLVKDONJSA-N	280.372	1.393	10	20	CDCD	
C[C@@H]1OCC[C@@]1(O)CNCc1cc(Cl)cc(F)c1O	789775818	BZUJIWGIJNQNLG-ISVAXAHUSA-N	289.734	1.814	10	20	CDCD	
CC(C)OCC[C@H](O)CN(C)Cc1ccccc1O	788274573	JDCPHAZHTOCKFL-AWEZNQCLSA-N	267.369	2.000	10	20	CDCD	
CON(C)C(=O)CNCc1ccc(N(C)C)c(F)c1	895041463	VAGVXERXBLSKQO-UHFFFAOYSA-N	269.320	1.001	10	20	CDCD	
C[C@H](CCNCc1ccc(N2CCOCC2)cc1)N(C)C	895300583	ZZRKFSYRQOVFIX-OAHLLOKOSA-N	291.439	1.953	10	20	CDCD	
COc1ccc(CNC(=O)[C@@H](O)C2CCCCC2)c(O)c1	794377445	ILNFJTAGFIXBRX-HNNXBMFYSA-N	293.363	1.958	10	20	CDCD	
Oc1c(F)cc(F)cc1CN1CCO[C@@H](CF)C1	894984527	AKQGNMCYMMHWMH-JTQLQIEISA-N	261.243	1.841	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1C[C@H]2C=C[C@H]1C2	791306358	MLYVLWFWJBRFHK-RDJZCZTQSA-N	299.418	1.971	10	20	CDCD	
CCOC(=O)[C@@H](NCc1cc(OC)ccc1O)C1CC1	1320684578	DZJBMQKAMUMMAG-AWEZNQCLSA-N	279.336	1.832	10	20	CDCD	
O=C(N[C@@H]1CCC[C@H]1CCO)c1cccc(O)c1O	280422232	ITFAAFQHQRBXIZ-GXSJLCMTSA-N	265.309	1.379	10	20	CDCD	
COC[C@](C)(O)CNCc1cc(F)cc(F)c1O	708498464	ZTBOBOUDDWXKLW-GFCCVEGCSA-N	261.268	1.157	10	20	CDCD	
CCC(C)(C)CNC(=O)C(=O)NCCc1ccc(N)cc1	1345171047	RCKIMWHIOVUVQP-UHFFFAOYSA-N	291.395	1.480	10	20	CDCD	
C[C@H](O)[C@H](C)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	1356114675	YGIDFPBDFVFZNL-HEHGZKQESA-N	279.428	1.714	10	20	CDCD	
O=C(N[C@H]1C[C@H]2C[C@@H](C(=O)O)C[C@@H]12)c1cc(O)cs1	1601579452	XXVCYRHYORNVJT-ZXZZCXTASA-N	281.333	1.683	10	20	CDCD	
C[C@@H](CC(=O)O)CC(=O)NCc1cccc(O)c1O	1604106774	RSISDTSPDHAAFJ-MRVPVSSYSA-N	267.281	1.215	10	20	CDCD	
C[C@@H]1CC[C@H](C(=O)O)CN1C(=O)Cc1ccc(O)c(O)c1	1603381954	VSNFCZXGXJKFLQ-KOLCDFICSA-N	293.319	1.352	10	20	CDCD	
Nc1ccc(NC(=O)N[C@@H]2CC=C(C(=O)O)C2)cc1	1601216677	MEKYXOWUOPRLFE-LLVKDONJSA-N	261.281	1.564	10	20	CDCD	
COc1ccc(CNC[C@@H](ON)C(C)C)c(O)c1OC	1579216391	RNPOZPDGICMSME-GFCCVEGCSA-N	284.356	1.414	10	20	CDCD	
Cc1cc(O)c(CN2CCN(C)C[C@@H]2CN)cc1Cl	1579637886	GKYCMXHAKOVCOP-LBPRGKRZSA-N	283.803	1.429	10	20	CDCD	
C[C@@H](CC(=O)O)NC(=O)NCc1ccc(N(C)C)c(F)c1	1589001272	JHWZCRWQPVUMLS-VIFPVBQESA-N	297.330	1.554	10	20	CDCD	
CS[C@H](CO)[C@H](C)NCc1cc2c(cc1O)OCO2	219065996	QBGWZUNKOCMBLQ-ISVAXAHUSA-N	285.365	1.323	10	20	CDCD	
COc1ccc(CNC[C@H]2CCCNC2=O)cc1C	839195620	LVLGOTSTMZFZDY-CYBMUJFWSA-N	262.353	1.619	10	20	CDCD	
CC(C)(C)NCCC(=O)NCc1ccccc1O	228423946	YYVMJQXIXHLLSL-UHFFFAOYSA-N	250.342	1.787	10	20	CDCD	
C[C@@H](CNC(=O)Cc1ccc(N)cc1)N(C)C1CC1	167335915	XVRKEKZJPUGJRX-NSHDSACASA-N	261.369	1.410	10	20	CDCD	
CCCCNC(=O)NC(=O)CN(C)c1ccc(N)cc1	702072065	YJVKBZJOGPJQIU-UHFFFAOYSA-N	278.356	1.331	10	20	CDCD	
COc1ccc(O)c(CN2C[C@H](C)C[C@@H](C(=O)O)C2)c1	398725701	JNNMHYMHMBDXEU-ZYHUDNBSSA-N	279.336	1.943	10	20	CDCD	
C[C@H]1CS(=O)(=O)CCN1Cc1cc(Cl)ccc1O	179771727	QVTRVTKOXVDAQM-VIFPVBQESA-N	289.784	1.665	10	20	CDCD	
COC[C@@H](O)CCNCc1ccc(OC)c(C)c1	231604338	HVKXCQIZOSEKDS-ZDUSSCGKSA-N	253.342	1.491	10	20	CDCD	
COc1ccc(O)c([C@@H](C)N[C@H](C)c2nnnn2C)c1	189844620	GBMWMSUQKBZLOW-RKDXNWHRSA-N	277.328	1.336	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2cnn(C)c2N)cc1F	184018546	WVPQDVHRBLAYGZ-UHFFFAOYSA-N	291.330	1.137	10	20	CDCD	
Cc1ccc(O)c(CN[C@@H](C)CCN2CCN(C)CC2)c1	185869271	IUEAQLVZZMIHIQ-HNNXBMFYSA-N	291.439	1.816	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2snnc2C)c1	190525646	NIDCJNLNQACXDC-UHFFFAOYSA-N	279.321	1.491	10	20	CDCD	
C[C@H](N)[C@@H]1CN(Cc2cc(F)ccc2O)CCO1	220330960	JPVANDYIRPXECW-ZANVPECISA-N	254.305	1.079	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@]2(C)CCCNC2)c1	237208403	TZNATWWHWYHNJR-BDJLRTHQSA-N	292.379	1.968	10	20	CDCD	
COC(=O)CCCN(C)C(=O)c1c(F)ccc(O)c1O	276645672	YGCVINNELVYVDY-UHFFFAOYSA-N	285.271	1.262	10	20	CDCD	
COC[C@@]1(C)NC(=O)N(Cc2ccc(N(C)C)cc2)C1=O	277336458	LEGKYKZRLSNVOI-OAHLLOKOSA-N	291.351	1.210	10	20	CDCD	
C[C@@H]1C(=O)CC[C@H]1CC(=O)NCc1ccc(O)c(O)c1	279707652	ALZSQSFIOZJWKS-ONGXEEELSA-N	277.320	1.719	10	20	CDCD	
C[C@@H](N)[C@@H](C)C(=O)NCc1ccc(N2CCOCC2)cc1	277031941	IYBMWSKEYBBIDN-CHWSQXEVSA-N	291.395	1.123	10	20	CDCD	
Cc1ccc(C(=O)N2CCO[C@@H]3CCC[C@H]32)c(O)c1O	272765321	LZUQCGIKELVVCV-VXGBXAGGSA-N	277.320	1.800	10	20	CDCD	
CN(C)c1ccc(OCC(=O)NCC(F)(F)F)cc1	277375858	CHYGYHPLXOPOPA-UHFFFAOYSA-N	276.258	1.810	10	20	CDCD	
Cc1ccc(O)c(CN2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)c1	373739385	XFYHGNGIIRHNGN-WHOFXGATSA-N	274.364	1.786	10	20	CDCD	
COC[C@H](CO)NCc1cc(Cl)cc([N+](=O)[O-])c1O	289779526	KKVWUYZDGRXUTF-VIFPVBQESA-N	290.703	1.051	10	20	CDCD	
COc1ccc(N(C)Cc2cnn(C)n2)c(OC)c1	289324518	GQRDFMNWQQJXJF-UHFFFAOYSA-N	262.313	1.469	10	20	CDCD	
CCCN(C)C(=O)C(=O)NCc1ccc(N(C)C)cc1	283587053	TVOWJNXXPOJEGR-UHFFFAOYSA-N	277.368	1.237	10	20	CDCD	
CC[C@@H](N[C@@H]1COC[C@H]1O)c1ccc(C)cc1O	295994406	PVUAAFKAZJJYQO-YRGRVCCFSA-N	251.326	1.501	10	20	CDCD	
CSCCCNC(=O)c1c(F)ccc(O)c1O	295855816	OABNZAFNIAMFBW-UHFFFAOYSA-N	259.302	1.720	10	20	CDCD	
OC[C@@]1(F)CCN(Cc2cc(Cl)ccc2O)C1	802660255	GJBIQDIPXJWJMU-GFCCVEGCSA-N	259.708	1.952	10	20	CDCD	
CN(CC(=O)O)Cc1cc(Br)cc(F)c1O	715760940	FYNPTBFYIDYMOY-UHFFFAOYSA-N	292.104	1.810	10	20	CDCD	
CNS(=O)(=O)CCNCc1ccc2ccccc2c1O	816586492	JMXRDHKYQVYPQS-UHFFFAOYSA-N	294.376	1.184	10	20	CDCD	
O=CN1CCCN(Cc2cc(Cl)ccc2O)CC1	827878043	YTHMABCBUQYUNT-UHFFFAOYSA-N	268.744	1.710	10	20	CDCD	
CC1CCN(C(=O)C(=O)N[C@H](C)c2ccccc2O)CC1	827941310	PSYZMRFSMCDZAO-GFCCVEGCSA-N	290.363	1.828	10	20	CDCD	
OC[C@@H]1CCN(Cc2ccc(Br)cc2O)C1	824655956	CNOBGMWTCIFIGE-SECBINFHSA-N	286.169	1.969	10	20	CDCD	
Cc1ccc(C(=O)N(CC(=O)O)C(C)C)c(O)c1O	821064126	WEIKCCLGEOUTRS-UHFFFAOYSA-N	267.281	1.341	10	20	CDCD	
O=C(O)[C@@H]1CCCCN1C(=O)/C=C\c1ccc(O)c(O)c1	821509141	VHCXRDYKMMVFKL-XOIDGJRKSA-N	291.303	1.577	10	20	CDCD	
CC(C)C1(O)CN(Cc2ccc(N3CCOCC3)cc2)C1	839133385	QZQJTENOQNXGNH-UHFFFAOYSA-N	290.407	1.726	10	20	CDCD	
O=C(N[C@@H](Cc1ccccc1)C(=O)O)c1cc(O)cs1	739371182	JYNHWYOWFXYENA-NSHDSACASA-N	291.328	1.879	10	20	CDCD	
COc1cc(O)ccc1NS(=O)(=O)C[C@@H]1CCCO1	901703583	JFTAKXUZAOUBLC-JTQLQIEISA-N	287.337	1.322	10	20	CDCD	
CN(C)c1ccc([C@@H](N)CNC(=O)c2cocn2)cc1	832272256	DCBQUXCYGCQAEY-LBPRGKRZSA-N	274.324	1.170	10	20	CDCD	
COc1ccc(O)c(CN[C@@H]2C[C@@H]3CCCCN3C2=O)c1	835075360	WYPBBWJKZIGYIW-GXTWGEPZSA-N	290.363	1.644	10	20	CDCD	
CN(C)c1ccc(CN2CCO[C@@H](CF)C2)cc1	839623075	XKTGTNMAKVLNHB-AWEZNQCLSA-N	252.333	1.923	10	20	CDCD	
CC(C)(CC(=O)O)NC(=O)/C=C\c1ccc(O)c(O)c1	833456540	ZUSVOISRZFKKOM-XQRVVYSFSA-N	279.292	1.481	10	20	CDCD	
COc1ccc2c(c1)CCCN2CCN1CCOCC1	919880736	NXPLIMQRNMYAPG-UHFFFAOYSA-N	276.380	1.780	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@H]2CCc3nccn3C2)cc1	746305207	CUJQAPQLOOHCIP-AWEZNQCLSA-N	298.390	1.828	10	20	CDCD	
Cc1onc(CO)c1C(=O)N(C)Cc1ccccc1O	847570446	PDFCGQQZUHTHTF-UHFFFAOYSA-N	276.292	1.453	10	20	CDCD	
CO[C@H]1CCC[C@@H]1CNC(=O)NCCc1ccc(N)cc1	841867202	LWYQDRYFXYTACR-HIFRSBDPSA-N	291.395	1.926	10	20	CDCD	
CCN(C)C(=O)CNC(=O)NCc1cc(Cl)ccc1O	845127716	ORJWYMSVCQDJIO-UHFFFAOYSA-N	299.758	1.323	10	20	CDCD	
CCc1cccc(CN2CC[C@H](C)S(=O)(=O)CC2)c1O	848906148	PWDGHTYPVMJQRV-LBPRGKRZSA-N	297.420	1.964	10	20	CDCD	
Nc1ccc(CCNC(=O)N(CCO)C2CCC2)cc1	841957803	DQGOAWSRJMPWCF-UHFFFAOYSA-N	277.368	1.368	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1CCN2C(=O)NC[C@@H]2C1	840921876	HFUIFISPUOJARW-OAHLLOKOSA-N	288.395	1.270	10	20	CDCD	
O=C(NCCCSc1nccs1)c1ncccn1	743409385	KFSJVAAHSNJELO-UHFFFAOYSA-N	280.378	1.845	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H](C)C(=O)O)c1	848585072	FVXUTZIUNKIWPS-RKDXNWHRSA-N	296.323	1.482	10	20	CDCD	
CCN1C(=O)C(C)(C)N[C@@H]1c1ccc2c(c1)CCN2C	840832823	HKQYOGLHOGLTNJ-AWEZNQCLSA-N	273.380	1.908	10	20	CDCD	
COc1cccc([C@@H](C)NC[C@]2(OC)CCOC2)c1O	846165581	PCCQYPZLFFDQRD-IAQYHMDHSA-N	281.352	1.857	10	20	CDCD	
COc1cccc([C@H](C)N[C@H](C)CC(N)=O)c1O	846143917	AVKOVUZQBIUHTI-BDAKNGLRSA-N	252.314	1.315	10	20	CDCD	
NC(=O)c1ccc(CNC(=O)c2cc(O)cs2)o1	752816728	OROIMYBBGGMZOM-UHFFFAOYSA-N	266.278	1.076	10	20	CDCD	
CCc1cnc(O)c(C(=O)NCCc2ccc(N)cc2)c1	852796008	OJPWAJRGPLUKMN-UHFFFAOYSA-N	285.347	1.904	10	20	CDCD	
C[C@H](NC[C@@H](C)S(C)(=O)=O)c1cc(F)cc(F)c1O	756770100	QPTSIXPPAJNHEC-SFYZADRCSA-N	293.335	1.754	10	20	CDCD	
CN(Cc1ccccc1O)S(=O)(=O)N(C)CC1CC1	751235011	DIMKEMRANALYAG-UHFFFAOYSA-N	284.381	1.411	10	20	CDCD	
CCCN(CCN(C)C)C(=O)c1cc(O)cs1	769347224	VQXLIIQCAPLMNY-UHFFFAOYSA-N	256.371	1.868	10	20	CDCD	
CCC[C@@H](NC(N)=O)C(=O)NCc1cc(C)ccc1O	862758073	NQCGAJBAJJECLJ-LLVKDONJSA-N	279.340	1.154	10	20	CDCD	
C[C@@H]1C[C@@H](N[C@@H]2COCC[C@H]2O)c2c(O)ccc(F)c21	866498574	ZWPFGXVJYKYULQ-HJQYOEGKSA-N	281.327	1.819	10	20	CDCD	
CCCn1cc(/C=C2/SC(=S)N(CC)C2=O)nn1	865212509	LZLLFVRPWHGMNV-RMKNXTFCSA-N	282.394	1.909	10	20	CDCD	
COc1cc(O)c(CN2CC(OC)C2)cc1OC	768445613	HRKVIZZNSOAYQV-UHFFFAOYSA-N	253.298	1.240	10	20	CDCD	
Nc1ccc(NC(=O)c2cncc(N3CCCC3)n2)cc1	876504076	IWBQIFMGPUOXGI-UHFFFAOYSA-N	283.335	1.911	10	20	CDCD	
Cc1cccc(O)c1CNCCCN1CCN(C)CC1	877143190	HGBPBWIBXWHJRE-UHFFFAOYSA-N	277.412	1.428	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCN(C)C1	773764126	XNNXGTQEOQBANW-JQWIXIFHSA-N	278.352	1.097	10	20	CDCD	
COCCCn1cc(C(=O)N(C)c2ccc(N)cc2)cn1	877075126	ZRUGSUCVKQLZKP-UHFFFAOYSA-N	288.351	1.778	10	20	CDCD	
CC(=O)N(C)CC(=O)N[C@H](C)c1ccc(N(C)C)cc1	773008858	HSQWQEUDVXIDQK-LLVKDONJSA-N	277.368	1.408	10	20	CDCD	
Cc1nc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)no1	775433270	XHSDYGAKXOJYST-VIFPVBQESA-N	274.324	1.935	10	20	CDCD	
COC(=O)C[C@]1(NCc2ccccc2O)CCCOC1	770675820	GFNGZNWAKMVMJI-OAHLLOKOSA-N	279.336	1.594	10	20	CDCD	
CN1CCN(c2ccc(CN(CCO)C3CC3)cc2)CC1	775652756	RFOWVZGAMPTDOF-UHFFFAOYSA-N	289.423	1.395	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNCC(C)(C)CO)c1O	775031107	BUBMVXVBEVYEGV-UHFFFAOYSA-N	284.312	1.417	10	20	CDCD	
C[C@@H](CN[C@H](C)c1c(O)cccc1F)N1CCN(C)CC1	886524891	STLUZRJZKQLECJ-QWHCGFSZSA-N	295.402	1.818	10	20	CDCD	
C[C@@H](O)C[C@H]1CCCN1C(=O)NCc1ccc(N)cc1	1120677141	LEIZKPZSCSLPCG-BXUZGUMPSA-N	277.368	1.714	10	20	CDCD	
Cc1ccc(C(=O)N2C[C@H](O)C[C@H]2C)c(O)c1O	788543476	XZDREPOPHAILCI-RKDXNWHRSA-N	251.282	1.002	10	20	CDCD	
COc1ccc(O)c(CN2[C@H](C)C(=O)N(C)[C@H](C)[C@H]2C)c1	895922791	TVYXBXJQSMZHHC-IJLUTSLNSA-N	292.379	1.840	10	20	CDCD	
COc1cc(C)cc(CN[C@H]2CO[C@@H](C)C2)c1O	895083232	IMWIQDMJSFUDLC-CMPLNLGQSA-N	251.326	1.976	10	20	CDCD	
CCNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	891947881	MEFVPYDQRUCYRV-CQSZACIVSA-N	278.400	1.674	10	20	CDCD	
Cc1cc(O)c(CNC[C@@H]2COCO2)cc1Cl	894886980	YIGGIOONSCRPHT-SNVBAGLBSA-N	257.717	1.817	10	20	CDCD	
C[C@@]1(C(N)=O)CCN(Cc2c(O)ccc(Cl)c2F)C1	793389446	HYYIJUDNHSXOBJ-CYBMUJFWSA-N	286.734	1.882	10	20	CDCD	
COc1ccc(CNC(=O)Cc2ccoc2)c(O)c1	794390689	ORJCAUDZUITXHG-UHFFFAOYSA-N	261.277	1.853	10	20	CDCD	
Cn1cncc1C(=O)NCc1ccc(N2CCCC2)cc1	791210671	XWRDOVXOSURTSD-UHFFFAOYSA-N	284.363	1.950	10	20	CDCD	
Nc1ccc(CN2CCS[C@@H]3COCC[C@@H]32)cc1	1334775358	XPBDCUXKHIBXNO-UONOGXRCSA-N	264.394	1.975	10	20	CDCD	
CCO[C@H]1COCC[C@H]1NCc1cccc(C)c1O	761222489	JMTCSJRTPRTJQD-KGLIPLIRSA-N	265.353	1.984	10	20	CDCD	
CCc1nn(C)cc1C(=O)N(C)Cc1ccccc1O	92500829	JTEMBTISTWKART-UHFFFAOYSA-N	273.336	1.960	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1NC[C@@H]2C[C@@H]21	1332237570	KMVQUILXWRGEFF-CWRNSKLLSA-N	287.407	1.709	10	20	CDCD	
CO[C@]1(C(=O)NCc2ccc(N)cc2)CCSC1	1342023984	YWLUJKSUQXPYDV-CYBMUJFWSA-N	266.366	1.407	10	20	CDCD	
CCCNC(=O)[C@H](C)NC(=O)NCc1ccccc1O	1343428186	IWAGZIPLZJQEBN-JTQLQIEISA-N	279.340	1.106	10	20	CDCD	
Nc1ccc(CNC(=O)N2CC[C@@H](CF)C2)cc1	1353531961	QUXQTBBVWBXWMQ-NSHDSACASA-N	251.305	1.770	10	20	CDCD	
O=C(O)c1ccnc(C(=O)NCc2c(O)cccc2F)c1	1602482201	QNBOWJDIBZQZPB-UHFFFAOYSA-N	290.250	1.555	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)c2cnc(C(=O)O)cn2)c1	1605296246	AEFQBTGIFKXDDU-UHFFFAOYSA-N	287.275	1.119	10	20	CDCD	
O=C(O)[C@@H]1OCC[C@@H]1CNCc1ccc2c(c1)CCCO2	1608815472	YUPCWTMDKZBVRZ-UKRRQHHQSA-N	291.347	1.591	10	20	CDCD	
CN(Cc1ccon1)c1ccc(OCC(=O)O)cc1	1598533131	FYXXVKLUDGLDCW-UHFFFAOYSA-N	262.265	1.774	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)c1c[nH]c(C(=O)O)c1	1598530581	MJRVSPZPDFGVNF-UHFFFAOYSA-N	274.276	1.691	10	20	CDCD	
CCCC[C@@H](NCc1ccc(N(C)C)cc1)[C@@H](O)C(=O)O	1776772976	CYCANDQDFINRIJ-HUUCEWRRSA-N	294.395	1.847	10	20	CDCD	
COc1ccc(O)c([C@H](C)N[C@H]2CCOC2=O)c1	19876495	WROHYFKAAHXSCZ-KWQFWETISA-N	251.282	1.367	10	20	CDCD	
C[C@H](CN1CCOCC1)NCc1ccc2c(c1)CCO2	37363151	CTXLQBWRVOTPGD-CYBMUJFWSA-N	276.380	1.432	10	20	CDCD	
COc1ccc(O)c([C@H](C)NCCc2n[nH]c(C)n2)c1	273367840	ABJLIJZSEKHKNB-VIFPVBQESA-N	276.340	1.721	10	20	CDCD	
COc1ccc(O)c(CN2CCC[C@H]([C@H](C)N)C2)c1	70171745	FXMVBDOIIDMCQB-RYUDHWBXSA-N	264.369	1.960	10	20	CDCD	
CCOc1ccccc1NC[C@H](O)CN(C)C1CC1	311913194	CVRWEPPKONSWKH-ZDUSSCGKSA-N	264.369	1.952	10	20	CDCD	
COc1cccc(CNC[C@H](O)C2CCC2)c1O	316614711	RCBCYYZJBPKNOF-LBPRGKRZSA-N	251.326	1.651	10	20	CDCD	
CN(C)c1ccc(CN[C@@H](CO)CC(F)F)cc1	717751250	UKFCJFSARZMVBP-LLVKDONJSA-N	258.312	1.858	10	20	CDCD	
CC[C@@](C)(O)CNCc1cc([N+](=O)[O-])ccc1O	111384725	KMKUZOBRXNJTMQ-GFCCVEGCSA-N	254.286	1.551	10	20	CDCD	
COc1cccc(CNC(=O)c2ccc3[nH]nnc3c2)c1O	68488521	QTIDXIPEGYFEAM-UHFFFAOYSA-N	298.302	1.602	10	20	CDCD	
CSC(C)(C)CNC(=O)c1cccc(O)c1O	126547677	VXRSOVXMUNOLKH-UHFFFAOYSA-N	255.339	1.969	10	20	CDCD	
CN(C)CCN(C)C(=O)NCc1ccc(N(C)C)cc1	83058679	UCSRPMMHAGPOIJ-UHFFFAOYSA-N	278.400	1.456	10	20	CDCD	
O=C(CNC1CC1)NCCCSc1nccs1	238163922	YVEIBFLOLWHFLE-UHFFFAOYSA-N	271.411	1.494	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CC[C@@H](O)C1	346379334	LPKLBHBXPOVYHU-DGCLKSJQSA-N	290.363	1.639	10	20	CDCD	
OC[C@@H]1[C@H]2CN(Cc3cccc(Cl)c3O)C[C@H]21	367775931	CTYBSXJBSZXFLJ-URLYPYJESA-N	253.729	1.716	10	20	CDCD	
O=C(NCCCCCCO)NCc1ccccc1O	272105495	PIIQSGWFHHQOEV-UHFFFAOYSA-N	266.341	1.744	10	20	CDCD	
CN(C)c1ccc(CNC2CCN(C=O)CC2)cc1F	278383177	DEVDGEMCGFYFNK-UHFFFAOYSA-N	279.359	1.602	10	20	CDCD	
CCNC(=O)[C@@H](C)N[C@@H](C)c1cc([N+](=O)[O-])ccc1O	273433949	WMVBLMSQFMATJV-DTWKUNHWSA-N	281.312	1.476	10	20	CDCD	
CC[C@@H](C)[C@@H](O)CNCc1ccc([N+](=O)[O-])c(OC)c1O	278950236	ZHCWEXNNVXJRIS-SKDRFNHKSA-N	298.339	1.806	10	20	CDCD	
CN(C)c1ccc(CN2CCN3C(=O)OC[C@@H]3C2)cc1F	378344824	CYFBKMTYYHXRQY-LBPRGKRZSA-N	293.342	1.528	10	20	CDCD	
CN(C)c1ccc(CN2CC(=O)NCC2(C)C)cc1	282433383	DJPVNPJSGJXDCX-UHFFFAOYSA-N	261.369	1.463	10	20	CDCD	
C[C@@H](NC(=O)c1c(F)ccc(O)c1O)[C@H]1CCCCO1	294888609	GEHBUEIPAIUHRD-LDYMZIIASA-N	283.299	1.924	10	20	CDCD	
COc1ccc(O)c(CNC(=O)NCC2=CCCOC2)c1	806810245	IUTUEMXEDUKNGA-UHFFFAOYSA-N	292.335	1.547	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NC(C)(C)CCN)cc1	817877324	VFJXHUOHGQPWSK-UHFFFAOYSA-N	278.400	1.679	10	20	CDCD	
CNC(=O)CCNCc1ccc2ccccc2c1O	816543294	VQEYFCKJVNZQPD-UHFFFAOYSA-N	258.321	1.771	10	20	CDCD	
COCCN(CCO)Cc1ccc2ccccc2c1O	816502789	QPJFHOVTEIBREW-UHFFFAOYSA-N	275.348	1.986	10	20	CDCD	
N[C@@H]1CCCC[C@H]1NCc1ccc(N2CCOCC2)cc1	818431575	POVJBNWRYICIAE-IAGOWNOFSA-N	289.423	1.883	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)C[C@@H](N)C1CC1	829763886	CCMDMWMNUCIXKM-OAHLLOKOSA-N	275.396	1.805	10	20	CDCD	
O=C1C[C@@H](C(=O)NCc2ccc(N3CCCCC3)cc2)N1	824262186	SZAWBJPMLVCTPM-AWEZNQCLSA-N	287.363	1.182	10	20	CDCD	
C[C@H]1NCC[C@@H]1C(=O)NCCCSc1nccs1	829528014	JBICZLLWQCTRDE-ZJUUUORDSA-N	285.438	1.740	10	20	CDCD	
O=C(NCc1ccccc1O)c1cc2n(n1)CCCC2=O	907056068	KCNXGAWYWOCXDG-UHFFFAOYSA-N	285.303	1.495	10	20	CDCD	
COc1ccc(O)c(CNC(=S)NCCCC(=O)O)c1	738045123	XTXMHWFTHGVHEO-UHFFFAOYSA-N	298.364	1.230	10	20	CDCD	
CC(=O)NC(C)(C)C(=O)NCc1ccc(N(C)C)cc1C	734404033	CEFQFDAVXOVYJN-UHFFFAOYSA-N	291.395	1.592	10	20	CDCD	
CC(=O)C[C@@H]1COCCN1C(=O)c1cc(O)cs1	831991274	JCGOGKFULKMHKR-SECBINFHSA-N	269.322	1.274	10	20	CDCD	
CNC(=O)C[C@@H](C)N[C@H](C)c1cc([N+](=O)[O-])ccc1O	834901697	YCZCGKVJYOOELX-RKDXNWHRSA-N	281.312	1.476	10	20	CDCD	
Cc1ncccc1C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1	832274555	VPSMDFNLOHARHC-MRXNPFEDSA-N	298.390	1.886	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@@]2(C)CCCCO2)c1	837484619	ITVVPGZKFLAROX-OAHLLOKOSA-N	279.336	1.976	10	20	CDCD	
C[C@H](NC(=O)NCCc1ccc(N)cc1)C1CCOCC1	841861039	USKXNIXVYLNASK-LBPRGKRZSA-N	291.395	1.926	10	20	CDCD	
CC(=O)NCCCNCc1ccc(N(C)C)cc1C	840928995	JXJOVJGZPBAHEQ-UHFFFAOYSA-N	263.385	1.677	10	20	CDCD	
COc1cccc(CNC(=O)[C@H]2CCC(=O)C2)c1O	843832034	KAJZYWZMWUJYEK-VIFPVBQESA-N	263.293	1.386	10	20	CDCD	
CCOc1ccc([C@@H]2NC(=O)CN2CC(C)C)c(O)c1	917506010	JXVAYTKUUQBNSW-OAHLLOKOSA-N	278.352	1.877	10	20	CDCD	
CN[C@@H]1CCCN(C(=O)NCc2ccc(N(C)C)cc2)C1	841653196	HXGGFNQTDRCDGA-CQSZACIVSA-N	290.411	1.646	10	20	CDCD	
CC(C)(C)C[C@H](CO)NC(=O)NCCc1ccc(N)cc1	841958965	IZBCBAJTXGIYPC-CQSZACIVSA-N	293.411	1.908	10	20	CDCD	
CN[C@H]1CCN(Cc2cc(Cl)cc(F)c2O)C1	843045525	UNNYRVQYJUFOOR-JTQLQIEISA-N	258.724	1.978	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)Cc1ncnn1C	750184171	AUPSEGHJNSJEFG-UHFFFAOYSA-N	273.384	1.903	10	20	CDCD	
C[C@@H]1C[C@H](NC(=O)c2cc(O)cs2)CN1C1CC1	754025043	NSXFHHDXFVVJHM-BDAKNGLRSA-N	266.366	1.809	10	20	CDCD	
CO[C@H]1C[C@H](N2C(=O)CN(Cc3ccccc3O)C2=O)C1	925367820	UMRKNYCMZBKWFB-HAQNSBGRSA-N	290.319	1.334	10	20	CDCD	
C[C@@H](O)[C@H]1CCCN1C(=O)/C=C\c1ccc(O)c(O)c1	855870227	XEBYSTAQOZUKRY-ZXIUILOBSA-N	277.320	1.483	10	20	CDCD	
CCn1nncc1CN[C@@H](C)c1cc([N+](=O)[O-])ccc1O	858440427	UNWUILWEDIQNCF-VIFPVBQESA-N	291.311	1.763	10	20	CDCD	
CCn1ncc(C(=O)NCc2ccc(OC)cc2O)c1C	867956488	TUSJKWPANDINGR-UHFFFAOYSA-N	289.335	1.856	10	20	CDCD	
CCNC(=O)CN(CC)Cc1cc(F)c(N(C)C)cc1F	862213743	VSDWCEDVUYKMSG-UHFFFAOYSA-N	299.365	1.989	10	20	CDCD	
COC(=O)C[C@]1(NCc2cccc(Cl)c2O)CCOC1	768534039	LKYYYUQTDFSEMW-CQSZACIVSA-N	299.754	1.857	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)c2nc(C)no2)c1	865927712	FYKOKSQLDPVSIX-ZETCQYMHSA-N	277.280	1.583	10	20	CDCD	
COC(=O)N[C@@H](C)C(=O)NCc1ccc(N(C)C)cc1C	761458014	XAKYFIVTKGGGMC-NSHDSACASA-N	293.367	1.422	10	20	CDCD	
Cc1cccc(O)c1CNC[C@]1(O)CCO[C@@H]1C	877489938	RCOSPYBTVVEHNL-BXUZGUMPSA-N	251.326	1.330	10	20	CDCD	
C[C@@H]1COCCN1Cc1cc2c(cc1O)OC[C@H]2O	766634321	MTTNUNLZFXSHPF-NOZJJQNGSA-N	265.309	1.039	10	20	CDCD	
C[C@@H](NC(=O)NCCc1cnccn1)c1ccccc1O	868476788	OCZPULONWQJBJG-LLVKDONJSA-N	286.335	1.785	10	20	CDCD	
Cc1nn(C)cc1C(=O)NCc1ccc(O)c(O)c1	768913878	GLOBUHREOATAJL-UHFFFAOYSA-N	261.281	1.070	10	20	CDCD	
C[C@@H](NC(=O)NCC1([S@@](C)=O)CC1)c1ccccc1O	868580138	KMWZCEFRYXGVGN-CFMSYZGJSA-N	296.392	1.664	10	20	CDCD	
CN(C)c1cc(F)c(CN2CCC[C@@H]2CO)cc1F	862215371	HVYABNKJQMZHAQ-LLVKDONJSA-N	270.323	1.988	10	20	CDCD	
CCn1cc(S(=O)(=O)NCc2cc(C)ccc2O)cn1	1118821348	FBWGNXMKDVCLSA-UHFFFAOYSA-N	295.364	1.396	10	20	CDCD	
C[C@@H](NC[C@H]1CCNC(=O)CC1)c1ccccc1O	879649588	WSDMVPFIOSNVJR-VXGBXAGGSA-N	262.353	1.959	10	20	CDCD	
C[C@@H]1CCCN(C(=O)COC(=O)c2cccc(O)c2O)C1	776281835	LLMDCIDWQXWTRG-SNVBAGLBSA-N	293.319	1.513	10	20	CDCD	
O=C(NC[C@H]1COC2(CCOCC2)O1)c1cc(O)cs1	777530757	KRSWCJVTSMPVSN-JTQLQIEISA-N	299.348	1.106	10	20	CDCD	
O=C(c1c(F)ccc(O)c1O)N1CCCN2CCC[C@@H]2C1	1117787849	UVVRLVCGDLUJSR-SNVBAGLBSA-N	294.326	1.547	10	20	CDCD	
O=C(COc1ccccc1O)NCc1ccc(O)c(O)c1	778926920	HHLTWAJSIFBMPO-UHFFFAOYSA-N	289.287	1.499	10	20	CDCD	
CN(Cc1ncc[nH]1)C(=O)/C=C/c1ccc(O)c(O)c1	779512481	CBUWAGFSNNGNHG-HWKANZROSA-N	273.292	1.493	10	20	CDCD	
COCCS(=O)(=O)Nc1ccc(O)c(C(C)C)c1	882799270	WNYPDKRFAMUDHM-UHFFFAOYSA-N	273.354	1.904	10	20	CDCD	
CN(C)c1ccc(Cn2cc(-c3cnn(C)c3)nn2)cc1	881271137	HYYRNDYKXLUWIV-UHFFFAOYSA-N	282.351	1.793	10	20	CDCD	
CC[C@H](N)c1cn(Cc2ccc(N(C)C)cc2)nn1	881270811	AFIFCUUBWUTEEL-ZDUSSCGKSA-N	259.357	1.802	10	20	CDCD	
C/C=C(/C)C(=O)OCC(=O)c1ccc(O)c(O)c1	784036014	BFEMTSCDSWSGDK-BAQGIRSFSA-N	250.250	1.790	10	20	CDCD	
CN(Cc1ccccn1)C(=O)c1c(F)ccc(O)c1O	789959099	OQWABKOEQZQRRM-UHFFFAOYSA-N	276.267	1.904	10	20	CDCD	
O=C(COC(=O)c1cscn1)c1ccc(O)c(O)c1	783261394	FNOZSWJJRRHNDZ-UHFFFAOYSA-N	279.273	1.594	10	20	CDCD	
CCNC(=O)[C@H](C)NCc1ccc(OC)c(OC)c1O	893320783	QZGVCPPZCJCYBW-VIFPVBQESA-N	282.340	1.024	10	20	CDCD	
O=C(NCc1ccc(N2CCCC2)cc1)N1CC[C@H]1CO	892004982	OHKBGRFVHVZQBI-HNNXBMFYSA-N	289.379	1.563	10	20	CDCD	
CS(=O)(=O)CCCNCc1c(O)ccc(Cl)c1F	790959647	KJDZALUHFQPYDL-UHFFFAOYSA-N	295.763	1.709	10	20	CDCD	
CCOCCOC[C@H](O)CNCc1cc(F)ccc1O	792194932	BHTBEJDFGCIPJN-CYBMUJFWSA-N	287.331	1.035	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1NCC1(C)C	710100593	AZLQOIJALPODSX-AWEZNQCLSA-N	275.396	1.709	10	20	CDCD	
CCn1cc(NC(=O)NCc2ccccc2O)cn1	748325727	UNTVDOQKGVAFPX-UHFFFAOYSA-N	260.297	1.930	10	20	CDCD	
COc1ccc(CN[C@H](C)c2ncnn2C)c(O)c1OC	1333716653	FJQGPZDPAITGFR-SECBINFHSA-N	292.339	1.389	10	20	CDCD	
CCOCC[C@H](NCc1cc(F)cc(F)c1O)C(=O)O	1334853624	SIFYJMOKFWJCBX-NSHDSACASA-N	289.278	1.640	10	20	CDCD	
COC[C@H](O)CNCc1cc(F)c(N(C)C)cc1F	1331520471	PWIYTLAJLVSLGX-SNVBAGLBSA-N	274.311	1.128	10	20	CDCD	
CN(C[C@@H](O)C1CC1)C(=O)NCc1ccc(N)cc1	1335737724	SVJXSLSBJHBHSF-CYBMUJFWSA-N	263.341	1.181	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)CCSCCCN	1340605667	NNFVVBRRBVNUND-UHFFFAOYSA-N	282.409	1.823	10	20	CDCD	
CC(C)n1cnc(C(=O)NCc2cccc(O)c2O)c1	1352658162	QODPGPGKNNAUOK-UHFFFAOYSA-N	275.308	1.805	10	20	CDCD	
Nc1ccc(NC(=O)C(=O)NC[C@H]2C[C@H]3C=C[C@H]2C3)cc1	1352846670	ZQKKFDYPXXSRBI-SDDRHHMPSA-N	285.347	1.536	10	20	CDCD	
O=C(O)C1=CC[C@@H](NCc2cc3c(cc2O)OCO3)C1	1601739762	BSHRUFQZTOGHCN-SNVBAGLBSA-N	277.276	1.384	10	20	CDCD	
CCCCn1nnnc1CSc1ncc(C(=O)O)s1	1609972819	HGIJSPVVBWLFRI-UHFFFAOYSA-N	299.381	1.920	10	20	CDCD	
C[C@@H]1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CN1	1576667908	WLHWZUHSKLYLJJ-SKDRFNHKSA-N	289.339	1.719	10	20	CDCD	
Cn1cnc2ccc(C(=O)NCCc3ccc(N)cc3)nc21	1579984737	FMUCYHMGUUFSMC-UHFFFAOYSA-N	295.346	1.523	10	20	CDCD	
CCOC(=O)/C=C/CN(C)c1ccc(OCC(=O)O)cc1	1596582539	DMQCKVCXPPKRJN-SNAWJCMRSA-N	293.319	1.706	10	20	CDCD	
C[C@H](N[C@H](C)c1cc(C(=O)O)ccc1O)C1(CO)CC1	1593198304	PYLJOFDCPMVUHA-ZJUUUORDSA-N	279.336	1.902	10	20	CDCD	
COc1cccc(O)c1CNCC1(C(=O)O)CC1	1599680128	BCHMFCFXHBJBAE-UHFFFAOYSA-N	251.282	1.355	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@H](C)CC(=O)O)c1O	1594048942	ZCKMTPHMURTYRQ-SSDOTTSWSA-N	284.268	1.262	10	20	CDCD	
CN[C@H]1CCCN(Cc2c(O)cccc2OC)C1	843048545	GJSWEVPIQSVGPR-NSHDSACASA-N	250.342	1.585	10	20	CDCD	
C[C@@H](NC(=O)Cc1ccc(N)cc1)[C@@H]1CCCNC1	832497486	HBYOOVNWZROXMC-DGCLKSJQSA-N	261.369	1.316	10	20	CDCD	
CCN(CCNC(=O)Nc1ccc(N)cc1)C1CC1	220264869	RKTUEYLOEMAMQK-UHFFFAOYSA-N	262.357	1.875	10	20	CDCD	
CN1CCN(CCCNCc2cc(F)ccc2O)CC1	226619143	SDXIXJCUFYAOFS-UHFFFAOYSA-N	281.375	1.258	10	20	CDCD	
CC[C@@H]1CN(C(=O)Cc2ccc(N)cc2)[C@H](C)CO1	403706822	GHWHMXRKXVZYNE-BXUZGUMPSA-N	262.353	1.837	10	20	CDCD	
CCOc1cccc(CN[C@@H](C)CC(=O)NC)c1O	323040594	OLIYINFMPMFJQI-JTQLQIEISA-N	266.341	1.405	10	20	CDCD	
CCc1cccc(CN[C@H](C)CS(C)(=O)=O)c1O	691499956	LFWLBNITKHBQKH-SNVBAGLBSA-N	271.382	1.477	10	20	CDCD	
Cn1cc(C(=O)NCc2ccccc2O)ccc1=O	748345096	ICYUFSRITJIQQI-UHFFFAOYSA-N	258.277	1.021	10	20	CDCD	
CNC(=O)CNC(=O)c1ccc(-n2c(C)ccc2C)cc1	25267594	SVBDUFUEYWSYTG-UHFFFAOYSA-N	285.347	1.570	10	20	CDCD	
CN1CCN(CCCNCc2ccc3c(c2)CCO3)CC1	37362803	ZAZSTCPUMQHKJD-UHFFFAOYSA-N	289.423	1.349	10	20	CDCD	
CC[C@H]1COCCN1C(=O)/C=C/c1ccc(O)c(O)c1	181091398	VHXJSCZQVASYQO-FUEXJSSKSA-N	277.320	1.748	10	20	CDCD	
Cc1cccc(CN2CCN(CC(C)(C)O)C[C@@H]2C)c1O	188748759	JMHZIRNOVUVYQB-AWEZNQCLSA-N	292.423	1.978	10	20	CDCD	
CC[C@@H](C(=O)NCc1cc(OC)ccc1O)N(C)C	126528077	DUJSHWZXZOEBLX-LBPRGKRZSA-N	266.341	1.357	10	20	CDCD	
COCCCOCCN(C)Cc1cc(OC)ccc1O	181523065	SQYLRFAWAGWONA-UHFFFAOYSA-N	283.368	1.886	10	20	CDCD	
COc1ccc(N(C)Cc2ncnn2C)cc1F	121798158	UBWICOSTGKOIBH-UHFFFAOYSA-N	250.277	1.599	10	20	CDCD	
COc1ccc(O)c(CNC(=O)N[C@H]2CCCOCC2)c1	181672563	UWFBPRWLYTWGHO-LBPRGKRZSA-N	294.351	1.769	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@]2(C)CCNC2)cc1F	237084541	XXVHXMOIXZJMJU-HNNXBMFYSA-N	279.359	1.508	10	20	CDCD	
CC(C)C[C@H](CCO)CNC(=O)Cc1ccc(N)cc1	236750122	KHRNIVCRZVUVPD-AWEZNQCLSA-N	278.396	1.972	10	20	CDCD	
CCN(C)C(=O)[C@H](C)NCc1ccc(N(C)C)c(F)c1	276738705	RPFZYUYUZYSTFO-NSHDSACASA-N	281.375	1.848	10	20	CDCD	
CCOC1CC(N(C)C(=O)c2cccc(O)c2O)C1	288447081	VWWSSKQPRLTLAC-UHFFFAOYSA-N	265.309	1.737	10	20	CDCD	
CN(C)c1ccc(OC[C@@H]2CCCS(=O)(=O)C2)cc1	289327410	DCTZNHPHFWPVQY-LBPRGKRZSA-N	283.393	1.956	10	20	CDCD	
CN(C)c1ccc(CNCCN2CCCOCC2)cc1	289477026	QAAYQGFZPQKWLT-UHFFFAOYSA-N	277.412	1.565	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CN(C)C2CC2)cc1	299351333	KKUNHOHDEIBAMZ-UHFFFAOYSA-N	261.369	1.463	10	20	CDCD	
COc1ccc(O)c(CNC(=O)COC(F)F)c1	802783420	REXKTCRLHFOVMD-UHFFFAOYSA-N	261.224	1.256	10	20	CDCD	
CN(C[C@H]1CCCN1C)C(=O)/C=C\c1ccc(O)c(O)c1	817676302	CXTAXASIWIERBJ-FWPCIQOSSA-N	290.363	1.664	10	20	CDCD	
CCn1c(COC)nnc1N(C)Cc1ccccc1O	812029335	AZKYLZHYXRQFRZ-UHFFFAOYSA-N	276.340	1.786	10	20	CDCD	
C[C@@H](N)CC(=O)NCc1ccc2c(c1)CCCN2C	827913942	TWTCAFCVQISYJN-LLVKDONJSA-N	261.369	1.423	10	20	CDCD	
CCc1noc(C(=O)NCc2cc(C)ccc2O)n1	902700418	CNXXTQJKAXKKGJ-UHFFFAOYSA-N	261.281	1.576	10	20	CDCD	
CCOc1ccc(CN2C[C@@H]3CCN(C)[C@@H]3C2)c(O)c1	824893675	YFPMYBSHWQWBGM-SWLSCSKDSA-N	276.380	1.927	10	20	CDCD	
Oc1cc2c(cc1CN1CCC[C@H]1C1OCCO1)OCO2	902623180	VGXNBUAIQMLHSF-NSHDSACASA-N	293.319	1.458	10	20	CDCD	
Cc1noc(CN(C)C(=O)c2ccc(C)c(O)c2O)n1	848353858	WPPAAKVEKQHISA-UHFFFAOYSA-N	277.280	1.370	10	20	CDCD	
CC(=O)CCCC(=O)NCc1ccc(O)cc1O	910958811	VSGDTJJWWOCCRZ-UHFFFAOYSA-N	251.282	1.473	10	20	CDCD	
CN(C)c1ccc([C@@H](N)CNC(=O)c2csnn2)cc1	843298806	QCAPHZDGHWUUHX-NSHDSACASA-N	291.380	1.034	10	20	CDCD	
CO[C@@H](C)c1noc(COC(=O)c2cc(O)cs2)n1	747700457	KGQGHQLRCBMMLU-LURJTMIESA-N	284.293	1.901	10	20	CDCD	
O=C(NCC[C@@]1(O)CCCOC1)NCc1ccccc1O	844940258	VKNQWIXBZROJRE-HNNXBMFYSA-N	294.351	1.123	10	20	CDCD	
OC[C@H](NCc1ccc2c(c1)CCCO2)C1CCOCC1	921981806	AGBQBSBERQLKFS-INIZCTEOSA-N	291.391	1.889	10	20	CDCD	
Cc1nn(C)cc1/C=C1\C(=O)NN(c2ccccc2)C1=O	755590613	NZIAGDYXUBZGPB-MDWZMJQESA-N	282.303	1.190	10	20	CDCD	
C[C@@H]1C[C@@H](NC(=O)NCc2ccccc2O)CN1C1CC1	753926758	UFYZFBXUSOKODL-DGCLKSJQSA-N	289.379	1.817	10	20	CDCD	
C[C@@H](O)C1(NC(=O)/C=C\c2ccc(O)c(O)c2)CC1	856129055	PPWDUSIQGZDAJP-AZVKUDOFSA-N	263.293	1.141	10	20	CDCD	
CNC[C@H](C)N[C@H](C)c1cc([N+](=O)[O-])ccc1O	854232292	OYHKPAQVGLTIAR-DTWKUNHWSA-N	253.302	1.559	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NCCCN2CCCC2)c1	864395732	AYDSKTRHIAGLCI-UHFFFAOYSA-N	291.395	1.986	10	20	CDCD	
CC(C)(O)[C@H]1CCCN1C(=O)c1cc(O)cs1	768729791	MEBIKHJFAJNUKJ-SNVBAGLBSA-N	255.339	1.829	10	20	CDCD	
CC1=C(C(=O)NCc2cc(C)ccc2O)C(=O)OC1(C)C	862758887	PGNRWAMKZDATLX-UHFFFAOYSA-N	289.331	1.969	10	20	CDCD	
O=C(CCc1cnn[nH]1)NCc1cc(Cl)ccc1O	869147786	WQXUSPCCWHLXDN-UHFFFAOYSA-N	280.715	1.413	10	20	CDCD	
C[C@@H]1CN(Cc2cc3c(cc2O)OC[C@H]3O)C[C@H]1C	768466176	NNJQNTMWYVGSAQ-GPCCPHFNSA-N	263.337	1.906	10	20	CDCD	
Cc1ccc(O)c(CN2CCN(CCCCO)CC2)c1	769394153	JGAJJCTVXYUUPC-UHFFFAOYSA-N	278.396	1.591	10	20	CDCD	
CCS(=O)(=O)C[C@@H](C)NCc1c(C)cccc1O	877028773	DCYGBVSGFFTWON-LLVKDONJSA-N	271.382	1.613	10	20	CDCD	
CN1CCN(c2ccc(CNCCC(C)(C)O)cc2)CC1	775367856	DPLKUYUCEFMIMR-UHFFFAOYSA-N	291.439	1.689	10	20	CDCD	
CCN(CC)C(=O)CNC(=O)/C=C\c1ccc(O)c(O)c1	779503929	XFQSQQDVZMUPOZ-VURMDHGXSA-N	292.335	1.096	10	20	CDCD	
COCCN(C)Cc1ccc(N2CCN(C)CC2)c(F)c1	1116439688	NJIZCTSUWXAOIY-UHFFFAOYSA-N	295.402	1.656	10	20	CDCD	
CC(C)[C@H](O)Cc1cn(Cc2ccc(N(C)C)cc2)nn1	881272430	URXFVFCFIUORTL-MRXNPFEDSA-N	288.395	1.952	10	20	CDCD	
CCCN1CC[C@H](NC(=O)NCc2ccc(N)cc2)C1	1120548293	AJDOGJQEGNCKTD-AWEZNQCLSA-N	276.384	1.552	10	20	CDCD	
C[C@H]1C[C@H](NC(=O)N(C)Cc2ccccc2O)C(=O)O1	896332343	MVADYYGHXLUCHY-ONGXEEELSA-N	278.308	1.238	10	20	CDCD	
COc1ccc(CC(=O)N(C)Cc2ccccc2O)nc1	789982328	MQANCYYENNIWNN-UHFFFAOYSA-N	286.331	1.997	10	20	CDCD	
COc1ccc(CN[C@@H]2C[C@H](O)C2(C)C)c(O)c1OC	893707116	NNVXNFVDPVPCKL-NEPJUHHUSA-N	281.352	1.658	10	20	CDCD	
C[C@]1(CO)C[C@H](O)CN1Cc1cc(Cl)ccc1O	895329337	JEYBUOOTQXQHAS-WCQYABFASA-N	271.744	1.363	10	20	CDCD	
CCc1cccc(CN2C[C@H](C)S(=O)(=O)[C@H](C)C2)c1O	692116086	QYCCLXOVCWKOPA-TXEJJXNPSA-N	297.420	1.962	10	20	CDCD	
C[C@@H](OC(=O)c1cc(O)cs1)C(=O)NCc1ccco1	1322732860	RGPKDCOIUXWEMC-MRVPVSSYSA-N	295.316	1.908	10	20	CDCD	
Cc1cc(O)c(CNC[C@@H](O)Cn2ccnn2)cc1Cl	1328759369	RTXRJPGCHRLYNA-LLVKDONJSA-N	296.758	1.096	10	20	CDCD	
COc1cccc(O)c1CNCCC[S@@](C)=O	735085302	QAYPUJITPTVNHT-QGZVFWFLSA-N	257.355	1.259	10	20	CDCD	
C[C@H]1CCC[C@@H]1NC(=O)C(=O)NCCc1ccc(N)cc1	1325729349	NAPKULQWLREYJX-FZMZJTMJSA-N	289.379	1.232	10	20	CDCD	
O=C(NCc1ccccc1O)c1n[nH]c2c1CCCC2	713795583	MNNVVRTZEFDKOV-UHFFFAOYSA-N	271.320	1.924	10	20	CDCD	
COC(=O)[C@H]1CCC[C@H]1NC(=O)c1ccc(C)c(O)c1O	1337483728	UWQIWYKIOBQFHN-GXSJLCMTSA-N	293.319	1.478	10	20	CDCD	
Nc1ccc(Cc2noc([C@@H]3CCS(=O)(=O)C3)n2)cc1	1261483619	YJGUASDGYFPTEG-SNVBAGLBSA-N	293.348	1.145	10	20	CDCD	
C[C@@H](NC(=O)C(C)(C)C)C(=O)NCc1cccc(O)c1O	1350300496	SBAZJHACEHWTTN-SECBINFHSA-N	294.351	1.265	10	20	CDCD	
C[C@@H](N[C@H]1C[C@H](C(N)=O)C1)c1cc(C(=O)O)ccc1O	1604364595	RXARYTIPDFRNKW-SZEHBUNVSA-N	278.308	1.005	10	20	CDCD	
CO[C@H]1CC[C@H](C(=O)NCc2cccc(O)c2O)C1	1548791503	FYXLDJXENDYDOH-ONGXEEELSA-N	265.309	1.529	10	20	CDCD	
COC(=O)c1cc(C(=O)NCc2ccc(N)cc2)c(C)o1	1578853231	PDDFHNOHAOBVTM-UHFFFAOYSA-N	288.303	1.887	10	20	CDCD	
CC[C@H](NC)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	1577172269	RVKJPJJYFRDAIJ-FZMZJTMJSA-N	263.385	1.928	10	20	CDCD	
N[C@@H]1CCC[C@@H]2CN(C(=O)Cc3ccc(O)c(O)c3)C[C@H]21	1580175914	JTTNVVUOIDWYMA-JHJVBQTASA-N	290.363	1.226	10	20	CDCD	
CCOc1cccc(CN2CC[C@](F)(C(=O)O)C2)c1O	1597154756	BAQGMYWPMZDERK-CQSZACIVSA-N	283.299	1.790	10	20	CDCD	
CN[C@@H](C)CCN[C@H](C)c1cc(C(=O)O)ccc1O	1598663242	CNVREPLMSIMESN-VHSXEESVSA-N	266.341	1.739	10	20	CDCD	
COc1cc(N(C)CCOCCN)cc(OC)c1OC	843359148	YTWDWBPRENOYNZ-UHFFFAOYSA-N	284.356	1.124	10	20	CDCD	
CCc1cccc(CN2CC[C@@H](S(C)(=O)=O)C2)c1O	848908787	DIBQETOPNJCFOP-CYBMUJFWSA-N	283.393	1.574	10	20	CDCD	
CC1CCN(CC(=O)N(C)c2ccc(N)cc2)CC1	37271951	KVDZKLNLKPNOAV-UHFFFAOYSA-N	261.369	1.964	10	20	CDCD	
CN(C(=O)c1cccc2c1CCNC2)c1cnn(C)c1	662745717	NKJDFOUFFXWKPL-UHFFFAOYSA-N	270.336	1.342	10	20	CDCD	
CC(C)[C@@H](CO)CNCc1cc2c(cc1O)OCO2	394031822	LEXDZJOXPRWJQS-LLVKDONJSA-N	267.325	1.475	10	20	CDCD	
CN(C[C@@H]1CCS(=O)(=O)C1)c1ccc(N)cc1	863558657	RSBVLVRPCHXVPV-JTQLQIEISA-N	254.355	1.140	10	20	CDCD	
C[C@@H](NC(=O)C[C@@]1(O)CCCNC1)c1ccccc1O	1263175661	IQNTZOBWTIIVKN-ABAIWWIYSA-N	278.352	1.074	10	20	CDCD	
COc1cccc(CNC(=O)COCC(F)(F)F)c1O	105651467	UNTAFVYOEKBNJV-UHFFFAOYSA-N	293.241	1.596	10	20	CDCD	
Cc1ccc(C(=O)NN2CCCCC2)c(O)c1O	182913045	PGSTWSUWYYIKEN-UHFFFAOYSA-N	250.298	1.537	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)c1ccc(F)nc1	182526953	QJKCDOILSGFGNV-UHFFFAOYSA-N	262.240	1.562	10	20	CDCD	
COC(=O)C1(C(=O)NCc2ccc(N(C)C)cc2C)CC1	127824644	KCCYGTOIPARCRK-UHFFFAOYSA-N	290.363	1.630	10	20	CDCD	
COC(=O)[C@H](C)N[C@@H](C)c1cc(OC)ccc1O	37073980	UWMPCXGOQCUURT-IUCAKERBSA-N	253.298	1.613	10	20	CDCD	
CN1C[C@H]2CN(C(=O)/C=C/c3ccc(O)c(O)c3)C[C@H]2C1	192519422	OGZNXHGNCDTNEY-AYKMPCHXSA-N	288.347	1.131	10	20	CDCD	
COC(=O)[C@@]1(F)CCN(Cc2ccc(N(C)C)cc2)C1	93887135	DTDHXZXLGXHULW-OAHLLOKOSA-N	280.343	1.840	10	20	CDCD	
C[C@@H](C(=O)NCc1ccccc1O)N1CCSCC1	269655096	CWRRZDYEIPBCGT-NSHDSACASA-N	280.393	1.446	10	20	CDCD	
CNC(=O)CCCC(=O)N[C@H](C)Cc1ccc(O)c(O)c1	275994674	QWHCBDIJCTWHOZ-SNVBAGLBSA-N	294.351	1.061	10	20	CDCD	
C[C@@H](NC[C@H]1CN(C)CCN1C)c1cc(Cl)ccc1O	273610942	VTWVESFEYFFBDP-YPMHNXCESA-N	297.830	1.942	10	20	CDCD	
COC(=O)[C@@H]1C[C@@H](OC)CCN1Cc1cccc(C)c1O	371530135	WSBZPFRLFDHGJS-KBPBESRZSA-N	293.363	1.853	10	20	CDCD	
CCOc1ccc(O)c(CN(C)CCOCCO)c1	282731218	MGQYYUVUXSFSDO-UHFFFAOYSA-N	269.341	1.232	10	20	CDCD	
COCc1ncc(C(=O)NCc2ccc(O)c(O)c2)s1	802784365	MROPKCHUJSQMCY-UHFFFAOYSA-N	294.332	1.631	10	20	CDCD	
Cc1c(CNC(=O)[C@H]2CC[C@H]2C(N)=O)n(C)c2ccccc12	568217131	IXVNPMJHKPTPRQ-OLZOCXBDSA-N	299.374	1.614	10	20	CDCD	
COC1(CCNC(=O)c2c(F)ccc(O)c2O)CCC1	295596049	MPOQMUHFDIYQSK-UHFFFAOYSA-N	283.299	1.926	10	20	CDCD	
O=C(NCCCC1(O)CCC1)c1cc(O)cs1	817768707	LCFLFCASRQDWPM-UHFFFAOYSA-N	255.339	1.879	10	20	CDCD	
CCNCC(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1	818613674	XEWYKFAAVUFTPJ-ZDUSSCGKSA-N	291.395	1.247	10	20	CDCD	
CC(C)[C@@H]1CN(C(=O)c2c(F)ccc(O)c2O)CCO1	827991651	SVRITBXIAWNGRQ-NSHDSACASA-N	283.299	1.734	10	20	CDCD	
COc1cccc(O)c1CN1CC[C@@H]2NC(=O)CC[C@H]2C1	827141806	YCSDTELEKDGMIF-AAEUAGOBSA-N	290.363	1.501	10	20	CDCD	
C[C@@H](NC(=O)CC1OCCO1)c1ccccc1O	827941124	MXFYJEFGHOTKSW-SECBINFHSA-N	251.282	1.332	10	20	CDCD	
Cc1cc(O)c(CN2CCO[C@@H](C(N)=O)C2)cc1Cl	824649148	AMVAEKHEXSNZKU-GFCCVEGCSA-N	284.743	1.040	10	20	CDCD	
CCc1cccc(CN2CCC(O)(CO)CC2)c1O	827140929	OYJFGOIAFIUKSH-UHFFFAOYSA-N	265.353	1.274	10	20	CDCD	
CN(C)c1ccc(CN2CCC[C@H]2C(=O)O)cc1F	820547910	NIZQHIFFPCBGRW-ZDUSSCGKSA-N	266.316	1.941	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@H](O)c2cccnc2)c1	734014832	FADMGBALPLMCTO-CQSZACIVSA-N	288.303	1.146	10	20	CDCD	
COc1cccc(O)c1CN1CC(OC(=O)NC(C)C)C1	839143283	IYWLJJUQLMREIB-UHFFFAOYSA-N	294.351	1.720	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCC[C@H](CO)CC1	832927246	SWARKBVEDPNPRP-VIFPVBQESA-N	255.339	1.688	10	20	CDCD	
O=C(NCc1cc(Cl)ccc1O)[C@H]1CC[C@H]1C(=O)O	911328871	DSHQCTOQOHOGNV-VHSXEESVSA-N	283.711	1.773	10	20	CDCD	
Nc1ccc(NC(=O)NC[C@@H](CO)Cc2ccco2)cc1	841302088	LGORLALFEJPOHG-NSHDSACASA-N	289.335	1.835	10	20	CDCD	
Cc1noc([C@H](C)N(C)C(=O)Cc2ccc(N)cc2)n1	848436513	UIQVTGSPYKVKSR-VIFPVBQESA-N	274.324	1.722	10	20	CDCD	
Nc1ccc(CCNC(=O)N2CCO[C@H](C(F)F)C2)cc1	841959118	LBTRKLDZGKWODR-LBPRGKRZSA-N	299.321	1.487	10	20	CDCD	
CCNCC(=O)N1CCOc2cc(N(C)C)ccc21	844190777	OBPAPKQAFQWHKE-UHFFFAOYSA-N	263.341	1.088	10	20	CDCD	
C[C@H]1CCN(Cc2cc(F)ccc2O)C[C@H]1CO	857061808	VWWHBBRYWXVRRV-JQWIXIFHSA-N	253.317	1.982	10	20	CDCD	
Cc1ccc([C@H](C)NCCN2CC[C@@H](O)C2)c(O)c1C	858547664	IDIZMRRPZUUKSW-UONOGXRCSA-N	278.396	1.726	10	20	CDCD	
O=C(NCCO[C@@H]1CCCCO1)c1cc(O)cs1	854551818	HTWDKCNTHKUHPQ-LLVKDONJSA-N	271.338	1.727	10	20	CDCD	
CN(C)c1ccc([C@@H](N)CNC(=O)C(C)(F)F)cc1	852792102	RSLOJJVCKYHEQA-NSHDSACASA-N	271.311	1.524	10	20	CDCD	
CCC[C@H](C)CS(=O)(=O)NCc1ccc(O)cc1O	867417237	OVGZUJAEXQKVDQ-JTQLQIEISA-N	287.381	1.953	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)CCOC2CCOCC2)c1	862758272	VEXXJJCHBIYIHJ-UHFFFAOYSA-N	293.363	1.903	10	20	CDCD	
O=C(N[C@@H]1Cc2cccc(O)c2C1)c1cccc(O)c1O	760609185	JJSOYUZVVTYFHH-SNVBAGLBSA-N	285.299	1.701	10	20	CDCD	
O=C(NCc1ccccc1O)[C@H]1CCCN(CC(F)F)C1	866754660	BTYCGXWYOMAUMO-LBPRGKRZSA-N	298.333	1.986	10	20	CDCD	
CC[C@]1(C(=O)N[C@@H](C)c2cc(OC)ccc2O)CCNC1	1118196942	GKAFLXZPXINMSQ-ZBEGNZNMSA-N	292.379	1.968	10	20	CDCD	
Nc1ccc(CC(=O)NCc2noc3c2CCCC3)cc1	877293050	HLLJTIVPGMKRGZ-UHFFFAOYSA-N	285.347	1.995	10	20	CDCD	
NC(=O)Nc1ccc(NC(=O)c2cccc(O)c2O)cc1	776611891	BSLMOSRVVHNSLR-UHFFFAOYSA-N	287.275	1.841	10	20	CDCD	
C[C@H](NC(=O)[C@H](C)S(C)(=O)=O)c1ccc(N(C)C)cc1	773018094	HENWHKLSXQSKEI-QWRGUYRKSA-N	298.408	1.363	10	20	CDCD	
COc1cccc(O)c1CN1CC[C@H]([C@H](C)O)C1	780787246	TWOHPQDKDGQOPD-QWRGUYRKSA-N	251.326	1.604	10	20	CDCD	
COc1cc(O)c(CNCc2cn(C)cn2)cc1OC	898044766	BQLLTYOAFLRXAW-UHFFFAOYSA-N	277.324	1.433	10	20	CDCD	
CO[C@@H](CNC(=O)c1ccc(C)c(O)c1O)C(F)(F)F	780941074	ZWUVCYCPBSFJOT-QMMMGPOBSA-N	293.241	1.713	10	20	CDCD	
COc1cc(C)cc(CNCCN2CCSCC2)c1O	894390937	ADYYZMQDTVJICF-UHFFFAOYSA-N	296.436	1.848	10	20	CDCD	
CCN(CCC(=O)NC)Cc1cc(F)c(N(C)C)cc1F	897708740	BTEDMYNFPCWWTD-UHFFFAOYSA-N	299.365	1.989	10	20	CDCD	
C[C@@H]1CN(C(=O)c2cc(O)cs2)C[C@]2(CCOC2)O1	796191773	ANBBAMUTAPCLIL-RNCFNFMXSA-N	283.349	1.474	10	20	CDCD	
COc1ccc(CNC(=O)c2cccc(F)n2)c(O)c1	794376944	NEWIUSYZGBPDHR-UHFFFAOYSA-N	276.267	1.865	10	20	CDCD	
CN1CCN(C(=O)c2ccc(CN=[N+]=[N-])s2)CC1	1537962778	CYIUTMSYWYUNJN-UHFFFAOYSA-N	265.342	1.946	10	20	CDCD	
COCCN1CC[C@@H](N[C@@H](C)c2cc(F)ccc2O)C1	273371042	CKMOZWBKFUUMPA-WCQYABFASA-N	282.359	1.903	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)C(=O)NCC1CCC1	1321647236	VZGDVFPGCVVZRX-UHFFFAOYSA-N	276.336	1.267	10	20	CDCD	
CN1CCCc2cc(CNC(=O)[C@@]3(F)CCOC3)ccc21	1323120238	HEGPSAWEXHMMRF-MRXNPFEDSA-N	292.354	1.814	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)CN2CCC(CO)CC2)c1	1337360597	IOBVCSNJQUWVGJ-UHFFFAOYSA-N	292.379	1.021	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1CN2CCC1CC2	1339142812	VAHFESCKZAXVLF-CXLRFSCWSA-N	288.347	1.321	10	20	CDCD	
CC1(C)CNC[C@H]1C(=O)NCc1c(O)cccc1F	1341124391	PIAJREWCUVQPSS-JTQLQIEISA-N	266.316	1.393	10	20	CDCD	
CC1(C)OCC(C)(C(=O)NCc2cccc(O)c2O)CO1	1347543170	XRUHHTVGDRUXNQ-UHFFFAOYSA-N	295.335	1.503	10	20	CDCD	
CCCNC(=O)[C@@H](C)NC(=O)NCc1ccccc1O	1343428187	IWAGZIPLZJQEBN-SNVBAGLBSA-N	279.340	1.106	10	20	CDCD	
C[C@@H](NCCn1cc(C(=O)O)nn1)c1c(O)cccc1F	1604341865	SIQANEMDDXUXOX-MRVPVSSYSA-N	294.286	1.172	10	20	CDCD	
Cn1ccnc1CSc1ncc(C(=O)O)s1	1608133503	ZYVQKXJUGRCZBD-UHFFFAOYSA-N	255.324	1.867	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)c1ccc(C(=O)O)o1	1598530586	MTRFYBVYJLMVMV-UHFFFAOYSA-N	275.260	1.956	10	20	CDCD	
CN(C)c1ccc(CNc2ncncc2-c2nn[nH]n2)cc1	1591032579	SQMVLJDCNICGAZ-UHFFFAOYSA-N	296.338	1.335	10	20	CDCD	
C[C@H](NC[C@H](O)[C@H]1CCCO1)c1cc(C(=O)O)ccc1O	1593246017	FZTLAOSVYUCUPZ-QCZZGDTMSA-N	295.335	1.281	10	20	CDCD	
CCOC(=O)CN(CCCC(=O)O)Cc1ccccc1O	1596622203	KPTUDTHUJGZLHJ-UHFFFAOYSA-N	295.335	1.622	10	20	CDCD	
CN(C)c1ccc(CNCC[C@@H](F)C(=O)O)cc1	1777040018	DSWGMNYXFUMRDT-GFCCVEGCSA-N	254.305	1.655	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CC[C@@H]2CO)c1O	934024445	CYEFRPMHHDRGLM-LLVKDONJSA-N	253.273	1.301	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@H]2CC[C@H]1O2	265038242	PTTSMVMWQFTZMI-YRGRVCCFSA-N	261.321	1.918	10	20	CDCD	
CC(C)(CN[C@@H]1CCc2cccc(O)c21)OCCO	297480656	ZGVRLKRGFGAPET-GFCCVEGCSA-N	265.353	1.757	10	20	CDCD	
CC(C)N1CC[C@H](NCc2cc(F)cc(F)c2O)C1=O	708409345	MNFMBSJSRZWPTJ-LBPRGKRZSA-N	284.306	1.769	10	20	CDCD	
CS(=O)(=O)[C@H]1CCN(Cc2c(O)cccc2Cl)C1	282674061	HTQDQZWDUQOFQC-VIFPVBQESA-N	289.784	1.665	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CCc2cnn(C)c2)cc1	54817768	TYEGVJADLIARCS-UHFFFAOYSA-N	286.379	1.735	10	20	CDCD	
CCOC(=O)CCN1CCN(c2ccc(OC)cc2)CC1	52710498	XRSASRIZWFHEGX-UHFFFAOYSA-N	292.379	1.770	10	20	CDCD	
CC[C@@](C)(O)CNC(=O)NCc1ccc(N(C)C)c(F)c1	105206044	YDXPFIHPDINDFT-OAHLLOKOSA-N	297.374	1.852	10	20	CDCD	
CN(C)c1ccc(CNS(=O)(=O)C[C@@H]2CCCO2)cc1	170656621	WQAHDBNVFOVAQH-AWEZNQCLSA-N	298.408	1.351	10	20	CDCD	
COCCNC(=O)NCc1ccc(N(C)C)cc1	31726599	DLXIOYIOKFKKHQ-UHFFFAOYSA-N	251.330	1.198	10	20	CDCD	
COC[C@H](O)CCNCc1c(O)cccc1Cl	153756278	ALBNWSVUAOMLLE-SECBINFHSA-N	259.733	1.533	10	20	CDCD	
COCc1ccc(/C=C2/SC(=S)NC2=O)o1	130280715	CLMAVICITGDYSL-XBXARRHUSA-N	255.320	1.915	10	20	CDCD	
C[C@@H]1OCC[C@]1(O)CNCc1ccc(N2CCCC2)cc1	227981999	NDMYGBJYQKDGIV-YOEHRIQHSA-N	290.407	1.916	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@]2(C)CCCNC2)c1	237208548	TZNATWWHWYHNJR-ZBEGNZNMSA-N	292.379	1.968	10	20	CDCD	
CC[C@@H](C(N)=O)N1CCCN(c2ccc(OC)cc2)CC1	361597022	JTZZAYOCNAUZFJ-HNNXBMFYSA-N	291.395	1.471	10	20	CDCD	
C[C@H](O)CCN[C@H](C)c1cc([N+](=O)[O-])ccc1O	273603999	SNXDQFRPPYJMTB-DTWKUNHWSA-N	254.286	1.722	10	20	CDCD	
CC[C@H](NC[C@]1(O)CCOC1)c1ccc(F)cc1O	286154512	OZKNVDJRZDYFLN-GXTWGEPZSA-N	269.316	1.723	10	20	CDCD	
CC(=O)C(=O)COC(=O)c1cc(C)nc2ccccc12	808484941	IOPVPQGWWLKRFG-UHFFFAOYSA-N	271.272	1.858	10	20	CDCD	
C[C@H](NC(=O)C1CCCC1)C(=O)NCc1ccc(N)cc1	297335757	YATGCJXZJGSUTB-NSHDSACASA-N	289.379	1.580	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N1CCC2(CCO2)CC1	800654001	VPCXKIZVZJEUSM-RQOWECAXSA-N	289.331	1.893	10	20	CDCD	
COc1cc(O)c(CN2CCC[C@@H](O)CC2)cc1OC	816667389	LZHMVYDAIPVIEV-GFCCVEGCSA-N	281.352	1.756	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)[C@H](COC)OC)cc1	822607803	NLWOXQKFYMCRFJ-HNNXBMFYSA-N	294.395	1.810	10	20	CDCD	
CCOC(=O)C[C@H](C)NC(=O)c1c(F)ccc(O)c1O	826937961	PNHSOYRSDYUYAU-ZETCQYMHSA-N	285.271	1.308	10	20	CDCD	
O=C(O)[C@@H]1CCCCN1C(=O)/C=C/c1ccc(O)c(O)c1	821509142	VHCXRDYKMMVFKL-ZRQQLDRUSA-N	291.303	1.577	10	20	CDCD	
CN(C)c1ccc(CN2CCO[C@H](C(=O)O)C2)cc1F	820548018	SAADCRQQPXNERO-ZDUSSCGKSA-N	282.315	1.177	10	20	CDCD	
COc1ccc(O)c(CNC[C@H]2CCOC[C@@H]2OC)c1	824709753	SOPORLWCWYIYDE-ABAIWWIYSA-N	281.352	1.542	10	20	CDCD	
CO[C@H]1CCC[C@@H]1CNC(=O)c1c(F)ccc(O)c1O	827821768	VCCIRLGYSBZVIO-KCJUWKMLSA-N	283.299	1.782	10	20	CDCD	
O=C(O)CCN(C[C@@H]1CCCO1)C(=O)c1cc(O)cs1	833233091	ZSMLOWIJUJYLSC-JTQLQIEISA-N	299.348	1.550	10	20	CDCD	
C[C@H](O)C[C@@H]1CCCN1C(=O)/C=C\c1ccc(O)c(O)c1	588408566	DHQXSALNOYXBQU-YQCLLZEUSA-N	291.347	1.873	10	20	CDCD	
COCC[C@@](C)(O)CN[C@H](C)c1cc(F)ccc1O	185468053	PSTPIJNVSOWHDJ-QMTHXVAHSA-N	271.332	1.969	10	20	CDCD	
CCO[C@H](CC)C(=O)NCc1ccc(O)cc1O	910951713	MCEDVPQMHXLFAH-GFCCVEGCSA-N	253.298	1.529	10	20	CDCD	
COc1cccc([C@@H](C)NCCOCCO)c1O	846138540	WARIXYDICPQBFF-SNVBAGLBSA-N	255.314	1.060	10	20	CDCD	
CCNC(=O)[C@@H](NC(=O)Nc1ccc(N)cc1)C(C)C	841298405	CPZSVEUKSPTHNU-LBPRGKRZSA-N	278.356	1.551	10	20	CDCD	
CCOc1ccc(O)c(CN2CCN[C@@H](C)[C@@H]2C)c1	843057843	MMBNDQHHTLOTTE-RYUDHWBXSA-N	264.369	1.973	10	20	CDCD	
Cc1cc(CS(=O)(=O)NCCc2ccc(N)cc2)on1	842823230	QEXPEKJDDJLSTG-UHFFFAOYSA-N	295.364	1.227	10	20	CDCD	
C[C@@H]1C[C@H](NC(=O)NCc2ccccc2O)CCN1C	745789838	QOLUOUHVCGKPDW-DGCLKSJQSA-N	277.368	1.674	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2C[C@H](C)NC[C@@H]2C)c1O	843120116	XXRHEOWOUKMDCQ-UWVGGRQHSA-N	295.339	1.491	10	20	CDCD	
Cc1ccc(C(=O)OCCOCC2CC2)c(O)c1O	744909198	GRUVDHWOEPRGIQ-UHFFFAOYSA-N	266.293	1.990	10	20	CDCD	
CC(C)[C@@H](C)N(C)C(=O)C(=O)Nc1ccc(N)cc1	841013993	CXTISHBWONGGIV-SNVBAGLBSA-N	263.341	1.710	10	20	CDCD	
C[C@H](NC(=O)NC[C@H](C)CN)c1ccc(N(C)C)cc1	841882513	JSNUMIRXZHPDSJ-NEPJUHHUSA-N	278.400	1.708	10	20	CDCD	
C[C@@H](NC(=O)N(C)CCN)c1ccc(N(C)C)cc1	841882171	XDTGVCNHOTXDOU-LLVKDONJSA-N	264.373	1.414	10	20	CDCD	
O=C(NCc1ccccc1O)[C@@H]1CCc2n[nH]cc2C1	757101480	SXYNIFCSDYMPEQ-SNVBAGLBSA-N	271.320	1.537	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NCc2cnc(C)o2)c1	858532814	JXLXXYKGCSBDIX-UHFFFAOYSA-N	275.308	1.996	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@H]2C[C@H](N)C2)cc1F	852864211	ZSBSDCNHLDFMOY-XYPYZODXSA-N	265.332	1.245	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H]2C[C@]2(C)OC)c1	852687377	JOVXNYKKFXXJLH-PKPZWWHKSA-N	294.351	1.938	10	20	CDCD	
Cc1ccc(C(=O)N(C)CC2=CCCOC2)c(O)c1O	855739324	ORBDVTKEJGUBPA-UHFFFAOYSA-N	277.320	1.825	10	20	CDCD	
O=Cc1ccccc1OCC(=O)NCc1ccccc1O	769366195	VMFLVJZQCINBRE-UHFFFAOYSA-N	285.299	1.900	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCCCO	867303126	ZMPMJSHIENGOLT-SNVBAGLBSA-N	267.325	1.308	10	20	CDCD	
COCCN1CC[C@H](NCc2ccc(C)cc2O)C1	877046010	GVTIDNZNDLBHEL-AWEZNQCLSA-N	264.369	1.511	10	20	CDCD	
CCN1CCCN(Cc2c(C)cccc2O)CC1=O	877465944	CSKGMESLUDHKCP-UHFFFAOYSA-N	262.353	1.755	10	20	CDCD	
CCN(C)c1ccc(CN(C)C[C@@H](C)C(=O)NC)cc1	773756819	VVWHVYNKTNPRKI-CYBMUJFWSA-N	277.412	1.957	10	20	CDCD	
COc1ccc(CNC(=O)CCNCC2CC2)c(O)c1	870931775	MSKHKJBKMBRTCL-UHFFFAOYSA-N	278.352	1.407	10	20	CDCD	
C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1ncon1	779540950	UUYTZWXMXJBVNI-WGAJWPLOSA-N	275.264	1.371	10	20	CDCD	
C[C@@H]1CO[C@@H](CO)CN1Cc1cc(Cl)cc(F)c1O	775742180	SGWWUXCLYQBAAY-LDYMZIIASA-N	289.734	1.766	10	20	CDCD	
CN1CCN(c2ccc(CN[C@@H](CO)C3CC3)cc2)CC1	771852912	LKYGODYUCMXBJL-KRWDZBQOSA-N	289.423	1.299	10	20	CDCD	
Cc1nnc([C@H](C)NC(=O)/C=C\c2ccc(O)c(O)c2)o1	779532827	UAKZLHUGGHFFBQ-HORMHSFOSA-N	289.291	1.680	10	20	CDCD	
C[C@H](CCN1CCN(C)CC1)NC(=O)c1cc(O)cs1	771742928	HCHGSESWSRFZRZ-LLVKDONJSA-N	297.424	1.210	10	20	CDCD	
CCN(C)c1ccc(CN2CCN3C(=O)OC[C@@H]3C2)cc1	773767179	YKTZLDFYUIYWPG-HNNXBMFYSA-N	289.379	1.779	10	20	CDCD	
COc1ccc(CNCCNC(=O)CCSC)cc1C	1123198419	RMBQZRHYIGUTKH-UHFFFAOYSA-N	296.436	1.963	10	20	CDCD	
Nc1ccc(OCc2cn(CCCF)nn2)cc1	881198243	LMUOZDCKMJVKPZ-UHFFFAOYSA-N	250.277	1.799	10	20	CDCD	
OCC[C@H](NCc1cc(F)cc(F)c1O)C1CC1	883017101	XDVPWPCLYXOGMG-LBPRGKRZSA-N	257.280	1.921	10	20	CDCD	
C[C@@H](C[C@@H](C)O)NC(=O)NCc1ccc(N(C)C)cc1	782912359	IOPBOQWKWHNGNL-NWDGAFQWSA-N	279.384	1.711	10	20	CDCD	
COc1cccc(CNC(=O)[C@@H]2CO[C@@H](C)C2)c1O	784444630	YTXUSHAEBPRGER-ONGXEEELSA-N	265.309	1.442	10	20	CDCD	
COc1cccc(CN2[C@H](C)C(=O)N[C@@H](C)[C@H]2C)c1O	895115297	OWMGVIRRXIAXNY-HBNTYKKESA-N	278.352	1.498	10	20	CDCD	
COc1cc(C)cc(CN2CC(=O)N(C3CC3)C2)c1O	894595990	MVVVVCGJSAXATE-UHFFFAOYSA-N	276.336	1.473	10	20	CDCD	
COc1ccc(CNC(=O)[C@@H]2CCOC2)c(O)c1	794381024	IBGORMPLPDBEAG-SNVBAGLBSA-N	251.282	1.054	10	20	CDCD	
COc1ccc(CNC(=O)COC2CCOCC2)c(O)c1	794388115	PSEXYKNQAOEUQQ-UHFFFAOYSA-N	295.335	1.213	10	20	CDCD	
Cc1ccc(O)c(CNS(=O)(=O)C[C@H]2CCOC2)c1	1329805916	KWFOEAMBLRGMIS-NSHDSACASA-N	285.365	1.157	10	20	CDCD	
COc1ccc(CNCC2OCCCO2)cc1C	716369303	HUDPYDJEEFSHKT-UHFFFAOYSA-N	251.326	1.856	10	20	CDCD	
Cc1nnc(CCNC(=O)NCc2ccc(N)cc2)s1	1336100829	QBOHYARCNJVMOJ-UHFFFAOYSA-N	291.380	1.471	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2CC1(C)COC1	774749051	CMDQLACNFNNKOD-UHFFFAOYSA-N	262.353	1.988	10	20	CDCD	
COc1cccc(CN(C)[C@@H](C)CS(C)(=O)=O)c1O	93384848	NHPKBUXFDIWUDI-JTQLQIEISA-N	287.381	1.266	10	20	CDCD	
C[C@@H](NC(=O)N[C@@]1(C)CCOC1=O)c1ccccc1O	1352139537	SPAOWACIEMYKMZ-OTYXRUKQSA-N	278.308	1.458	10	20	CDCD	
O=C(O)[C@@H]1C[C@@H](O)CN(Cc2cccc(Cl)c2O)C1	1601769630	PHMWJPKHWBWJML-NXEZZACHSA-N	285.727	1.313	10	20	CDCD	
Nc1ccc(NC(=O)N2CCC[C@@H]2CC(=O)O)cc1	1608273614	UHIHOPGTEKIFQE-LLVKDONJSA-N	263.297	1.740	10	20	CDCD	
O=C(O)[C@H]1CCCN(C(=O)/C=C\c2ccc(O)c(O)c2)C1	1602211888	KPXCOKHQPJIEJL-QZPNVGJNSA-N	291.303	1.434	10	20	CDCD	
C[C@H](NCCC[C@@H](C)O)c1cccc(-c2nn[nH]n2)c1O	1589998330	RKGQXFXBNMKENH-ZJUUUORDSA-N	291.355	1.384	10	20	CDCD	
CC(C)(CCNC(=O)c1c(F)ccc(O)c1O)C(=O)O	1588775144	MQGCCGOKDSTIDR-UHFFFAOYSA-N	285.271	1.468	10	20	CDCD	
CCO[C@@H]1COC[C@H]1N[C@@H](C)c1cc(C(=O)O)ccc1O	1596981400	ZISXIFLXWLPVNT-MRCXROJRSA-N	295.335	1.545	10	20	CDCD	
C[C@@](CCF)(NCc1cc(F)c(F)cc1O)C(=O)O	1592505352	ANEXYBXNHGGUPB-LBPRGKRZSA-N	277.242	1.963	10	20	CDCD	
C[C@@H](N[C@@H](CO)CC1CC1)c1cc(C(=O)O)ccc1O	1593207874	FDAKYOXBIUVRDA-BXKDBHETSA-N	279.336	1.902	10	20	CDCD	
Cc1cc(CCNC(=O)C(=O)O)c(C)n1-c1ccccc1	1594303035	YTLFRXHOHHMNIU-UHFFFAOYSA-N	286.331	1.837	10	20	CDCD	
C[C@@H](NC/C=C/CO)c1cc(C(=O)O)ccc1O	1593256480	IIFSHYGVEVUPEX-GKQMSVHHSA-N	251.282	1.290	10	20	CDCD	
Cc1nc(NCc2ccc(F)cc2O)ncc1C(=O)O	1777523131	FOURPEDWKKIPOA-UHFFFAOYSA-N	277.255	1.940	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2cc[n+]([O-])cc2)cc1	16498087	VPWFMENHTZYKON-UHFFFAOYSA-N	271.320	1.316	10	20	CDCD	
Oc1ccc(Cl)cc1CN1CCn2cnnc2C1	156045915	VNPRHNGUKPYPOS-UHFFFAOYSA-N	264.716	1.653	10	20	CDCD	
COc1cccc(O)c1CNC1CCC(N)CC1	843107619	UJUMQAJBARJCSR-UHFFFAOYSA-N	250.342	1.760	10	20	CDCD	
COc1cccc(O)c1CN1CCC(CCN)CC1	844909925	FPLGAKGQLWLVOU-UHFFFAOYSA-N	264.369	1.962	10	20	CDCD	
Cc1cccc(CN2CCN3C(=O)CC[C@H]3C2)c1O	124578955	RQWLCAOKCUBXAQ-ZDUSSCGKSA-N	260.337	1.507	10	20	CDCD	
COc1ccc(O)c(CN[C@@H](C)CN2CCOCC2)c1	36932550	RDUPMSAWXOWDNH-LBPRGKRZSA-N	280.368	1.211	10	20	CDCD	
CC(C)[C@@H]1NCC[C@H]1C(=O)NCc1ccccc1O	289602212	BRUSJJIBZSMQEP-OCCSQVGLSA-N	262.353	1.643	10	20	CDCD	
C[C@H](NC(=O)c1cccc(O)c1O)[C@H]1CCCOC1	389050858	RXRWDWGNGHBUPP-UWVGGRQHSA-N	265.309	1.643	10	20	CDCD	
CC(C)[C@@H](C(=O)NCc1ccc(N(C)C)cc1)[C@H](C)N	399412546	WUXWUOIRHJKQNC-SWLSCSKDSA-N	277.412	1.988	10	20	CDCD	
C[C@H](O)CN(Cc1ccccc1O)C[C@H]1CCCO1	248647324	IHIJWOLEYFPOIR-GXTWGEPZSA-N	265.353	1.754	10	20	CDCD	
C[C@@]1(CNC(=O)c2cccc(O)c2O)CCCO1	126482417	GMLCWHXLXCZZEU-ZDUSSCGKSA-N	251.282	1.397	10	20	CDCD	
CCOc1cccc(CN2CCS(=O)(=O)CC2)c1O	132282372	LOBTXEMKRSHRQC-UHFFFAOYSA-N	285.365	1.021	10	20	CDCD	
CCCCCN1CC(=O)N[C@@H]1c1cc(O)c(O)c(OC)c1	182313117	XYCWNCIEWFMNQT-HNNXBMFYSA-N	294.351	1.727	10	20	CDCD	
C[C@@H](NCc1ncn(C)n1)c1ccc(F)c(F)c1O	187814203	VYEAVGMZXAWNQA-SSDOTTSWSA-N	268.267	1.650	10	20	CDCD	
Cn1cc(N2CCN(Cc3cc(F)ccc3O)CC2)cn1	180152290	OSVONEJJAXUUCZ-UHFFFAOYSA-N	290.342	1.587	10	20	CDCD	
Cc1ccc(C(=O)NC(C)(C)CCO)c(O)c1O	182948985	DRSNKCODYPJBDL-UHFFFAOYSA-N	253.298	1.297	10	20	CDCD	
CCC(=O)N1CC[C@H](NC(=O)c2ccc(C)c(O)c2O)C1	182810824	BSSZHVSWDVTDRD-JTQLQIEISA-N	292.335	1.147	10	20	CDCD	
CN(C)c1ccc(CNC(=O)Nc2cccnn2)cc1	120395290	MMFXKPUFWFSWEL-UHFFFAOYSA-N	271.324	1.864	10	20	CDCD	
C[C@@H](CNC(=O)c1cccc(O)c1O)CN1CCCCC1	186986309	XXWWRACXLZVFHE-LBPRGKRZSA-N	292.379	1.950	10	20	CDCD	
C[C@H](C[S@@](C)=O)NC(=O)N(C)Cc1ccccc1O	182619943	PIQMWPULVVEAQT-GIGQVBGESA-N	284.381	1.301	10	20	CDCD	
C[C@@H](N[C@H](CO)c1cnn(C)c1)c1ccc(N(C)C)cc1	90885058	OIXYNOPLEQCYEQ-MLGOLLRUSA-N	288.395	1.870	10	20	CDCD	
Nc1ccc(NC(=O)Cn2cc(C3CC3)nn2)cc1	237985894	QRJHPRXWJZICHR-UHFFFAOYSA-N	257.297	1.376	10	20	CDCD	
Cc1ncc2c(n1)CC[C@@H](NC(=O)Cc1ccc(N)cc1)C2	366326429	XQVYIRZNEHYFJR-OAHLLOKOSA-N	296.374	1.583	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)[C@H]1CCCCS1	272937292	LHCGRACIWOLVJR-GFCCVEGCSA-N	267.350	2.000	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H]2CCO[C@@H](C)C2)c(O)c1O	272962138	JSUIOFLQRYRPSV-VHSXEESVSA-N	265.309	1.704	10	20	CDCD	
CCN(C)c1ccc([C@H](C)N[C@H](CO)COC)cc1	281000296	NODALVIACUYEJO-GXTWGEPZSA-N	266.385	1.801	10	20	CDCD	
C[C@@H](N[C@H]1C[C@@H](O)C1)c1ccc(N2CCOCC2)c(F)c1	295848955	DTRYDYYKFZMENX-BNOWGMLFSA-N	294.370	1.836	10	20	CDCD	
CO[C@H](CNC(=O)c1ccc(C)c(O)c1O)C1CC1	294771664	ZUDMLNPYHSGXND-LLVKDONJSA-N	265.309	1.561	10	20	CDCD	
C[C@H](CC[S@](C)=O)NC(=O)c1c(F)ccc(O)c1O	294804273	CDWXVCZHBHWGRX-XJZHNMMOSA-N	289.328	1.124	10	20	CDCD	
COc1ccc(O)c(CNc2ccc(CCO)nc2)c1	809779812	ALBDHCTYRSYZPY-UHFFFAOYSA-N	274.320	1.943	10	20	CDCD	
C[C@H]1COCC[C@H]1CNC(=O)NCc1ccccc1O	805821207	GUPVLMCQPNKOCR-RYUDHWBXSA-N	278.352	1.864	10	20	CDCD	
Cc1nccnc1CCNC(=O)c1cccc(O)c1O	818540282	KQUZTNSCWPWEFP-UHFFFAOYSA-N	273.292	1.169	10	20	CDCD	
NC(=O)c1cc(CNCc2cc(Cl)c(F)cc2O)on1	816568744	PGHOIOMXKKSMDR-UHFFFAOYSA-N	299.689	1.561	10	20	CDCD	
C[C@@H](NC(=O)c1cccc(O)c1O)[C@@H](O)c1ccccc1	811541334	YLDSLMCSOXOZRW-QMTHXVAHSA-N	287.315	1.950	10	20	CDCD	
CCC[C@H](NC(=O)c1cc(O)cs1)c1nn[nH]n1	829802374	ZYBVFDSOFWDLAE-ZETCQYMHSA-N	267.314	1.238	10	20	CDCD	
Cc1ccc(/C=C2/SC(=S)N(CC(N)=O)C2=O)s1	727177253	YFJMHBIQKFQWJQ-XBXARRHUSA-N	298.414	1.743	10	20	CDCD	
O=C(O)CC[C@H]1C[C@@H](C(=O)NCc2ccccc2O)CO1	901608573	JSHKIBGIAJJDSP-NEPJUHHUSA-N	293.319	1.278	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)CN2CCOC2=O)c1	821065931	SWQIPNJRXNGTLI-VIFPVBQESA-N	294.307	1.030	10	20	CDCD	
O=C(NC1CC1)[C@@H]1CCCN1C(=O)c1cc(O)cs1	735523458	WFJUKPZARDUXCG-JTQLQIEISA-N	280.349	1.337	10	20	CDCD	
COc1ccc(N(C)CCN(C)C[C@H]2CCCN2)cc1	903460648	GVJNTAWLHBPNBU-CQSZACIVSA-N	277.412	1.815	10	20	CDCD	
CC(C)[C@H]1CN(C)CCN1C(=O)c1cc(O)cs1	738554720	IRERVCSBCJNJOQ-LLVKDONJSA-N	268.382	1.866	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)NCC(F)(F)F	588403783	ZRCWRXPCXSQDPS-RQOWECAXSA-N	261.199	1.790	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(C)(C)NC(=O)O	737475868	ABVCGQGEHSEVSY-UHFFFAOYSA-N	293.367	1.757	10	20	CDCD	
COc1cc(O)c(CN2CC(O)(C(C)C)C2)cc1OC	839133870	WURSLFMVVJUISA-UHFFFAOYSA-N	281.352	1.612	10	20	CDCD	
O=C(C[C@@H]1C[C@H]2CC[C@H]1O2)NCc1ccc(O)cc1O	910944542	NXBOLXIFSSHZDE-ZKYQVNSYSA-N	277.320	1.672	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1nnn(C)c1C	741567378	QPSXYPKAWPUQRJ-UHFFFAOYSA-N	287.367	1.428	10	20	CDCD	
COc1ccc(O)c(CN[C@@H]2CCN[C@H](C)C2)c1	841061003	DCBZUXOBTNQBDY-ZYHUDNBSSA-N	250.342	1.631	10	20	CDCD	
CCC(CC)C(=O)NCc1cn(-c2ccc(N)cc2)nn1	849134508	GNUUSZUQMRRYCG-UHFFFAOYSA-N	287.367	1.902	10	20	CDCD	
COCCN(C/C=C/c1ccc(N(C)C)cc1)CC(=O)O	840995510	QFYLUGIUWCLTSX-SNAWJCMRSA-N	292.379	1.799	10	20	CDCD	
Oc1cc2c(cc1CN1CC[C@H]3CC[C@@H](C1)N3)OCO2	843054014	BECPPZLQGSQNTC-NEPJUHHUSA-N	276.336	1.447	10	20	CDCD	
CN(C)c1cc(F)c(CNC(C)(C)CO)cc1F	858133810	ZAACLRVFUKZNPH-UHFFFAOYSA-N	258.312	1.891	10	20	CDCD	
COC(=O)c1cc(/C=C2/SC(=S)NC2=O)c[nH]1	753132665	IDCWZNILLYNPSF-XVNBXDOJSA-N	268.319	1.290	10	20	CDCD	
O=[N+]([O-])c1ccc(O)c(CN[C@H](CO)CC2CC2)c1	754833706	LDAGGVJKRYVAQO-NSHDSACASA-N	266.297	1.551	10	20	CDCD	
CC(=O)c1cc(F)cc(CN(C)C[C@@H]2COCCO2)c1O	852495277	IPWQXPWOQPWVDR-CYBMUJFWSA-N	297.326	1.581	10	20	CDCD	
CN(C)c1cc(F)c(CN[C@@H]2CCCCNC2=O)cc1F	858095680	RPTVDRKLQYAHEH-CYBMUJFWSA-N	297.349	1.789	10	20	CDCD	
C[C@H](NCCN1CCC1)c1cc([N+](=O)[O-])ccc1O	756766823	DCORTVQAUXNACS-JTQLQIEISA-N	265.313	1.657	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)OC[C@H]1COC(=O)O1	759588328	KOSOXSHQSRVPJL-MDHMXLOGSA-N	280.232	1.190	10	20	CDCD	
C[C@H](CNCc1ccc(N2CCCC2)cc1)S(C)(=O)=O	697587163	DYJFFSXRLMHOID-CYBMUJFWSA-N	296.436	1.810	10	20	CDCD	
Cn1cnc(/C=C/C(=O)N2CCCc3n[nH]cc32)c1	935708304	ICOYBSMWKMZFRI-SNAWJCMRSA-N	257.297	1.136	10	20	CDCD	
CC1(C)CN(Cc2cc3c(cc2O)OC[C@@H]3O)CCO1	768440806	YXLFUVKEKZOEQP-ZDUSSCGKSA-N	279.336	1.429	10	20	CDCD	
CC[C@@H](C(=O)NCc1ccc2cccnc2c1O)N(C)C	862027546	WKNPYJAUDBTWCI-ZDUSSCGKSA-N	287.363	1.897	10	20	CDCD	
COc1cccc(CN[C@@H](C)C[C@@H]2CCCC(=O)N2)c1O	877525922	MXZFAMNCCOFFTG-AAEUAGOBSA-N	292.379	1.938	10	20	CDCD	
C[C@@H]1CO[C@H](CO)CN1Cc1cc(Cl)cc(F)c1O	775742163	SGWWUXCLYQBAAY-KCJUWKMLSA-N	289.734	1.766	10	20	CDCD	
OC[C@@H]1CN(Cc2cc(Cl)cc(F)c2O)C[C@@H]1CO	877764948	PCKQLNYRGBAXHR-AOOOYVTPSA-N	289.734	1.217	10	20	CDCD	
C[C@@H](NC(=O)[C@H]1CCOC1)c1ccc(N(C)C)cc1	773018012	LATJQJDSIQCUHG-YPMHNXCESA-N	262.353	1.966	10	20	CDCD	
CO[C@@H]1C[C@@H](NC(=O)NCc2ccc(N)cc2)C1(C)C	1120610460	ONJZJWKJCPPPDV-CHWSQXEVSA-N	277.368	1.882	10	20	CDCD	
COC(=O)N1CC(C)(NCc2cccc(OC)c2O)C1	787767283	PIPHMCRDDNYECU-UHFFFAOYSA-N	280.324	1.331	10	20	CDCD	
C[C@@]1(CO)C[C@@H](O)CN1Cc1cc(Cl)ccc1O	895329338	JEYBUOOTQXQHAS-YPMHNXCESA-N	271.744	1.363	10	20	CDCD	
COc1cc(C)cc(CN2CC[C@@H](O)[C@H]2C)c1O	894918606	YAXNHUMNMPPJKY-ZYHUDNBSSA-N	251.326	1.664	10	20	CDCD	
COC(=O)[C@H]1CCN(Cc2cccc(OC)c2O)[C@@H]1C	787420282	FHDUIFGPWURZSU-PWSUYJOCSA-N	279.336	1.784	10	20	CDCD	
CCO[C@@H]1C[C@@H](NCc2ccc(OC)cc2O)[C@H]1OC	894185870	TUPIBZZWXXTTIX-BPLDGKMQSA-N	281.352	1.683	10	20	CDCD	
COC(=O)[C@@H]1CCN(Cc2c(O)cccc2OC)[C@@H]1C	787421507	STHJNGAUVINHGA-GHMZBOCLSA-N	279.336	1.784	10	20	CDCD	
CN(C)CCOCCNCc1c(O)ccc(Cl)c1F	790990028	IFHUEUDBWYIZOI-UHFFFAOYSA-N	290.766	1.853	10	20	CDCD	
COc1ccc(CNCC2(CC(N)=O)CC2)c(O)c1OC	894967283	KMRZHWVOTZIBEV-UHFFFAOYSA-N	294.351	1.155	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H]2C[C@H](N)C2)c1	892578089	PDICFLMXYXOMOY-GMTAPVOTSA-N	293.367	1.498	10	20	CDCD	
COc1ccc(CNC(=O)C2=CCOCC2)c(O)c1	794389783	DINSLRGZYJIHFA-UHFFFAOYSA-N	263.293	1.364	10	20	CDCD	
O=C(N[C@@H](CO)c1ccc(F)cc1)c1cccc(O)c1O	790916695	MZACUBMESGZHGJ-LBPRGKRZSA-N	291.278	1.700	10	20	CDCD	
COc1ccc(N2CCN(CCCN)CC2)c(OC)c1	74415245	OTGZOAFIAPNNSK-UHFFFAOYSA-N	279.384	1.175	10	20	CDCD	
C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)c1cccc(O)c1O	185725214	GRWVFUZJAZXPKX-PWSUYJOCSA-N	278.352	1.510	10	20	CDCD	
CNC[C@H](C)CNCc1ccc(N2CCN(C)CC2)cc1	1326075702	KZFSJJPIZJFOMR-HNNXBMFYSA-N	290.455	1.384	10	20	CDCD	
COc1cccc(O)c1CNC[C@@]1(C)CCOC1	733327641	JZNHFTYKIOPXMA-CQSZACIVSA-N	251.326	1.917	10	20	CDCD	
C[C@@H](CC(=O)O)CC(=O)NCc1c(O)cccc1O	1592387940	IGYLJYNPBOSFHB-MRVPVSSYSA-N	267.281	1.215	10	20	CDCD	
C[C@@H](CNCc1cc(F)cc(F)c1O)CC(=O)O	1776426521	MDYBAWVXYWYJGM-SSDOTTSWSA-N	259.252	1.871	10	20	CDCD	
CC[C@H](C)[C@H](N)C(=O)NCc1ccc(N(C)C)c(F)c1	155674839	FGPGNGLXUGDNDR-HZMBPMFUSA-N	281.375	1.881	10	20	CDCD	
CCCCOCC(=O)NCc1ccc(O)c(O)c1	159081946	JLEIIMYONBWLJB-UHFFFAOYSA-N	253.298	1.531	10	20	CDCD	
COCCN(C)CCNCc1cc(F)ccc1O	226589385	QJPUYOUROJHPAL-UHFFFAOYSA-N	256.321	1.199	10	20	CDCD	
Cc1ccc(O)c(CNCC2([S@](C)=O)CC2)c1	282379900	OIPZBDOENLKUPB-KRWDZBQOSA-N	253.367	1.701	10	20	CDCD	
CO[C@H]1CN[C@@](C)(C(=O)N(C)Cc2ccccc2O)C1	701594179	WRPAOJMBSDSONI-IUODEOHRSA-N	278.352	1.118	10	20	CDCD	
CC1(C)CN(C(=O)c2cccc(O)c2O)[C@@H]2COC[C@@H]21	384853884	CPDOTHPICJEHTK-WDEREUQCSA-N	277.320	1.595	10	20	CDCD	
O=C(CN[C@@H]1CCc2cccc(O)c21)NCC(F)(F)F	393692338	XUOUPHJULGWKOX-SECBINFHSA-N	288.269	1.648	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)CCCNC(=O)C1CC1	53916200	XDPLUNLFDBMTQH-UHFFFAOYSA-N	290.363	1.657	10	20	CDCD	
Cn1ncc2c(NCc3ccc(O)c(O)c3)ncnc21	119647588	GAASVLAFOOLOOY-UHFFFAOYSA-N	271.280	1.387	10	20	CDCD	
Nc1ccc(CCNC(=O)C[C@@H]2CSCCN2)cc1	131014228	PWGNOOFMSVJWMT-CYBMUJFWSA-N	279.409	1.023	10	20	CDCD	
COc1ccc(O)c(CNc2nccc(OC)n2)c1	301304366	XEPNFDRJWKKMOK-UHFFFAOYSA-N	261.281	1.812	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)c1cc(F)ccc1O	122420203	CNLGLARHYTZSHL-UHFFFAOYSA-N	291.278	1.915	10	20	CDCD	
Cc1cc(O)c(CN2CCN(C(=O)N(C)C)CC2)cc1C	126219719	XENRWLOKHKWYGK-UHFFFAOYSA-N	291.395	1.808	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CC1(O)CCCC1	183431072	GNJKBUIVUMADSH-LLVKDONJSA-N	293.363	1.840	10	20	CDCD	
COCCn1ccc(NC(=O)c2cccc(O)c2O)n1	188356110	JRONJXXYIYOHSG-UHFFFAOYSA-N	277.280	1.193	10	20	CDCD	
CN(C)c1ccc(CNc2nccn(C)c2=O)cc1	266131312	OOOUPPNMGURIHB-UHFFFAOYSA-N	258.325	1.458	10	20	CDCD	
CCNCC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	44297736	VMYXEOMZIMVJIU-UHFFFAOYSA-N	291.395	1.091	10	20	CDCD	
CN(C)[C@H]1CCCN(C(=O)c2c(F)ccc(O)c2O)C1	276664076	YHYPLWXASLFTEP-VIFPVBQESA-N	282.315	1.403	10	20	CDCD	
CN(C)c1ccc(CN2CCC[C@H](OCCO)C2)cc1F	271192969	QDRMIKDCABKFDW-AWEZNQCLSA-N	296.386	1.865	10	20	CDCD	
CCN1CC(=O)N(Cc2ccc3c(c2)CCCN3C)C1=O	272487385	SBFBQOIFOGCASE-UHFFFAOYSA-N	287.363	1.853	10	20	CDCD	
CC(C)[C@H](C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)N(C)C	274962697	UGOBLHYRKMKWMA-XHDPSFHLSA-N	294.395	1.731	10	20	CDCD	
CC[C@H]1CN(Cc2ccc([N+](=O)[O-])c(OC)c2O)C[C@H]1O	278565129	BTEGMXPVDCWUAG-JOYOIKCWSA-N	296.323	1.512	10	20	CDCD	
CCOC(=O)[C@](C)(O)CN(CC)c1ccc(OC)cc1	274565475	DHWMTVXXIJKBFV-OAHLLOKOSA-N	281.352	1.836	10	20	CDCD	
CCSc1nnc(SCC(=O)C(C)=O)s1	288930652	QQMXPFDXRJTXMH-UHFFFAOYSA-N	262.381	1.900	10	20	CDCD	
Cc1ccc(O)c(CN2C[C@@H](N3CCOCC3)C[C@@H]2C)c1	289803341	SMZBJAYMUGCREN-HOCLYGCPSA-N	290.407	1.996	10	20	CDCD	
COC[C@@H](NC(=O)c1c(F)ccc(O)c1O)[C@@H]1CCCO1	296467401	XQKPJXRZWUWAKK-KOLCDFICSA-N	299.298	1.161	10	20	CDCD	
OC[C@@H]1CC[C@H](CNCc2cc(F)ccc2O)O1	293894620	KPDACCZOWCJGME-NEPJUHHUSA-N	255.289	1.161	10	20	CDCD	
Oc1cccc2c1[C@H](NC[C@@H](O)C1CCOCC1)CC2	296733229	JBRGYAPUJQYNIO-UKRRQHHQSA-N	277.364	1.757	10	20	CDCD	
CC(=O)C(=O)COc1ccc2c(C)cc(=O)oc2c1	808012681	PRTDZPBEWVKMLP-UHFFFAOYSA-N	260.245	1.638	10	20	CDCD	
COc1cc(O)c(CN(C)CCN2CCCC2)cc1OC	809736973	ADEQXTUOADWKHJ-UHFFFAOYSA-N	294.395	1.937	10	20	CDCD	
COc1ccc(N2CCC(NC[C@H](C)N)CC2)cc1	817971534	NUUPSEKMOMUVSQ-LBPRGKRZSA-N	263.385	1.601	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1ccn(C)n1	727366187	CKHKUOWHUXGZNF-UHFFFAOYSA-N	272.352	1.758	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@H]2[C@@H]3CCC(=O)[C@H]32)cc1F	906454836	SCJNFXMOWQLESD-WKPIXPDZSA-N	290.338	1.733	10	20	CDCD	
COc1ccc(O)c(CN2CC[C@H](OC)C[C@H]2C(=O)O)c1	833733383	GFJKKLNJEMRPRN-STQMWFEESA-N	295.335	1.465	10	20	CDCD	
COc1ccc(O)c(CNC(=S)NCCCN(C)C)c1	733906569	NCXGXOSNLHDFKJ-UHFFFAOYSA-N	297.424	1.317	10	20	CDCD	
COCCCOCCC(=O)NCc1ccccc1O	830526021	ASSHNXLIRXIDGE-UHFFFAOYSA-N	267.325	1.452	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@]2(C)CCCN2)c1	843489967	ULVWGWVSWIXSEN-BONVTDFDSA-N	278.352	1.720	10	20	CDCD	
CC(C)NCCC(=O)NC[C@@H](N)c1ccc(N(C)C)cc1	841846850	XFXKDRRHAUREKH-OAHLLOKOSA-N	292.427	1.257	10	20	CDCD	
CCN(CCCO)C(=O)NCc1ccc(N(C)C)cc1C	745828424	QJYOCALWEYROQL-UHFFFAOYSA-N	293.411	1.975	10	20	CDCD	
C[C@@](CO)(NC(=O)NCCc1ccc(N)cc1)C1CC1	841958693	HOFJXATUKNYVBQ-HNNXBMFYSA-N	277.368	1.272	10	20	CDCD	
COc1cccc(O)c1CN1CCN[C@@H](C(C)C)C1	843105627	TVOHIOFXDFEXER-CYBMUJFWSA-N	264.369	1.831	10	20	CDCD	
Nc1ccc(CCNC(=O)NCCC[C@@H]2CCOC2)cc1	841912855	BGDJXKZCMBISBK-CQSZACIVSA-N	291.395	1.927	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](N)C(C)(C)C)c1	843488993	AFLIQFPPDFGDRQ-NOZJJQNGSA-N	280.368	1.951	10	20	CDCD	
Cn1nnc2c1CC[C@@H](NCc1cc(Cl)ccc1O)C2	848567646	YRVJAXPVZSGZGE-LLVKDONJSA-N	292.770	1.821	10	20	CDCD	
CC(C)n1cc(CNC(=O)c2c(F)ccc(O)c2O)nn1	848387558	WVGLSEQFJPLURD-UHFFFAOYSA-N	294.286	1.339	10	20	CDCD	
CCN1C(=O)C(C)(C)N[C@@H]1c1cccc(OC)c1O	840832028	JYUQZBRZOCEEPB-LBPRGKRZSA-N	264.325	1.630	10	20	CDCD	
NCCN(Cc1ccccc1O)C[C@H]1CCCO1	842471276	SQLPJKPZFCKURT-CYBMUJFWSA-N	250.342	1.332	10	20	CDCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@H](O)C1CC1	854949922	ZNIQUNHNUIDQJY-LRDDRELGSA-N	290.407	1.879	10	20	CDCD	
NC(=O)c1csc(CN[C@H]2CCc3cccc(O)c32)n1	850540911	POZCWQDXHHHSMT-VIFPVBQESA-N	289.360	1.725	10	20	CDCD	
C[C@@H](NC(=O)c1cc(=O)cc[nH]1)c1ccc(N(C)C)cc1	935464859	NFSSZNLWRWEKHQ-LLVKDONJSA-N	285.347	1.932	10	20	CDCD	
CN1CN(Cc2c(O)cccc2Br)CC1=O	862309444	QEFRFXXJNTTYCR-UHFFFAOYSA-N	285.141	1.386	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)Cc1[nH]cnc1C	935946096	XQFXNWXNRPBHNY-UHFFFAOYSA-N	294.351	1.768	10	20	CDCD	
CC[C@H](N[C@@H]1COCC[C@H]1O)c1ccc(C)cc1O	866497635	OCANOKBVDFDXFE-BFHYXJOUSA-N	265.353	1.891	10	20	CDCD	
CCC[C@H]1C(=O)NCCN1Cc1c(O)cccc1OC	769516940	VRSQYRVWCRHPBV-LBPRGKRZSA-N	278.352	1.501	10	20	CDCD	
Oc1ccccc1CNCc1nnnn1CC1CC1	769934815	QEIPZCZISSLFJW-UHFFFAOYSA-N	259.313	1.079	10	20	CDCD	
Nc1ccc(CCNC(=O)C(=O)N[C@@H]2C=CCCC2)cc1	1117973017	MLCGVPKGBPZBQU-CQSZACIVSA-N	287.363	1.152	10	20	CDCD	
CC[C@@H](CS(=O)(=O)NCc1cc(C)ccc1O)OC	1118821260	CDIGMSTYOHQTFH-LBPRGKRZSA-N	287.381	1.545	10	20	CDCD	
Cc1ccc(CN2CCN(CC(C)(C)O)C[C@@H]2C)c(O)c1	877458263	NVIRSQKNLFSHEU-AWEZNQCLSA-N	292.423	1.978	10	20	CDCD	
C[C@@H](O)C1(NCc2ccc(N3CCC(O)CC3)cc2)CC1	877637508	JOTMAOCKMFKWFH-CYBMUJFWSA-N	290.407	1.651	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2ccncn2)c1	779002364	XRGMFEQDBITDIN-SECBINFHSA-N	273.292	1.682	10	20	CDCD	
C[C@@H]1C(=O)CCCN1C(=O)/C=C/c1ccc(O)c(O)c1	885048624	VMMPMERALFBCHY-BREXMAIKSA-N	275.304	1.691	10	20	CDCD	
CCOCCONC(=O)N[C@H](C)c1cc(OC)ccc1O	773517521	RUFHDTKSYDGUBX-SNVBAGLBSA-N	298.339	1.729	10	20	CDCD	
C[C@H](NC[C@@H](O)CN1CCCC1)c1c(O)cccc1F	886511449	UHJDJKYGBABKAU-NWDGAFQWSA-N	282.359	1.639	10	20	CDCD	
C[C@H](N[C@@H](C)c1c(O)cccc1F)C(=O)N(C)C	886598567	FCWVUVGMHWTHOM-IUCAKERBSA-N	254.305	1.659	10	20	CDCD	
COC(=O)C[C@@H](NC(=O)c1cccc(O)c1O)C(C)(C)C	889172321	OXVFLRRXPJXTNB-LLVKDONJSA-N	295.335	1.805	10	20	CDCD	
OC[C@]12C[C@H]1CN(Cc1ccc(N3CCOCC3)cc1)C2	783744133	SUHBBJCOGWBHJM-DOTOQJQBSA-N	288.391	1.337	10	20	CDCD	
COc1cc(C)cc(CN2C[C@@H]3CNC[C@@H]3C2)c1O	894097325	JMKWKMYDKVMKEH-BETUJISGSA-N	262.353	1.360	10	20	CDCD	
COCCCN(CCO)Cc1ccc(OC)c(OC)c1O	893885603	MVGFZZHVXKPTHL-UHFFFAOYSA-N	299.367	1.240	10	20	CDCD	
CCCN(CC(=O)OC)Cc1ccc(OC)c(OC)c1O	891401489	XSPWBNAZHMURKJ-UHFFFAOYSA-N	297.351	1.794	10	20	CDCD	
Cn1cc([C@@H](O)CNCc2c(O)ccc(Cl)c2F)cn1	790974327	SSXLEXIHNOKNJX-LBPRGKRZSA-N	299.733	1.741	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2Cc1cnc[nH]1	894468974	CJDBKBYLGSVMSY-UHFFFAOYSA-N	258.325	1.875	10	20	CDCD	
CN(C)c1cc(F)c(CN[C@@]2(CO)CCOC2)cc1F	1329721913	HIVDLKUPCRGFPW-CQSZACIVSA-N	286.322	1.272	10	20	CDCD	
CC[C@H](NCc1ccc(N2CCOCC2)cc1)C(=O)O	1326048885	UKYWRPPYMOJLJZ-AWEZNQCLSA-N	278.352	1.476	10	20	CDCD	
C[C@@H]1CCOCCN1C(=O)NCCc1ccc(N)cc1	1338407276	GLXBFBLZKARKCB-GFCCVEGCSA-N	277.368	1.632	10	20	CDCD	
Cc1nnc(CNC(=O)N[C@H](C)c2ccccc2O)n1C	1348709443	MVLZKKHMVOGMLC-SECBINFHSA-N	289.339	1.390	10	20	CDCD	
O=C(NCc1cccc(O)c1O)c1cnn(C2CC2)c1	1521851670	PMJJTMAXNOLJOZ-UHFFFAOYSA-N	273.292	1.559	10	20	CDCD	
O=C(O)c1ccc(C(=O)NCc2cccc(O)c2O)s1	1602323141	QUFPSMAYDGWHBH-UHFFFAOYSA-N	293.300	1.788	10	20	CDCD	
CN(CCCC(=O)O)C(=O)c1ccc(N=NC(N)=O)cc1	1604161728	UCWNFWPHAUATFQ-UHFFFAOYSA-N	292.295	1.786	10	20	CDCD	
Cc1cc(Cl)cc(CN2C[C@@H](O)C[C@@H](C(=O)O)C2)c1O	1600218911	GATQFXKWIGTTMJ-PWSUYJOCSA-N	299.754	1.621	10	20	CDCD	
COC(=O)N1CC(N[C@@H](C)c2cc(C(=O)O)ccc2O)C1	1610189031	XOBAYXDXQRSIQG-QMMMGPOBSA-N	294.307	1.192	10	20	CDCD	
C[C@H](CNCc1cc2c(cc1O)OCO2)N(C)C1CC1	105488054	SFXJSOLNPDBJEG-SNVBAGLBSA-N	278.352	1.693	10	20	CDCD	
C[C@@](O)(CN1CCCc2cc(CN)ccc21)C(F)F	1576259873	SGAIATYDOZYBHX-CQSZACIVSA-N	270.323	1.914	10	20	CDCD	
C[C@H](NC(=O)[C@H]1[C@@H](CN)C1(F)F)c1ccc(N(C)C)cc1	1576226748	HZJRDMATAUZYPD-ZWKOPEQDSA-N	297.349	1.770	10	20	CDCD	
Nc1ccc(CNC(=O)c2cccc(-n3cccn3)n2)cc1	1580445518	HTSFAIKKELSZPE-UHFFFAOYSA-N	293.330	1.780	10	20	CDCD	
Cc1ccc(C(=O)N[C@H]2CC[C@@H](C(=O)O)C2)c(O)c1O	1594347565	ATIKGWONMZZEKL-BDAKNGLRSA-N	279.292	1.389	10	20	CDCD	
Cc1ccc(O)c(CNc2cc(-c3nn[nH]n3)nc(C)n2)c1	1592186380	REVMVGYLYFJEEN-UHFFFAOYSA-N	297.322	1.591	10	20	CDCD	
CCOc1ccc(CN2CC(C(=O)O)C2)c(O)c1	1592448096	WVNJBXWKWCXCID-UHFFFAOYSA-N	251.282	1.307	10	20	CDCD	
O=C(O)[C@@H]1CN(C(=O)c2cccc(O)c2O)C[C@H]1C1CC1	1595190323	RPKYHVZAAFFLLY-WDEREUQCSA-N	291.303	1.281	10	20	CDCD	
CCN(CC)c1ccc(CNC[C@@H](OC)C(=O)O)cc1F	1776860918	DOEKKWYVTZFMFJ-CQSZACIVSA-N	298.358	1.861	10	20	CDCD	
C[C@@H]1CC(=O)CC[C@@H]1C(=O)NCCc1ccc(O)c(O)c1	159827778	RYVRBVCWFWYCOM-MFKMUULPSA-N	291.347	1.762	10	20	CDCD	
CCc1cccc(CNC[C@H]2CCCNC2=O)c1O	848916371	GSKKSKGOAFVBFT-CYBMUJFWSA-N	262.353	1.570	10	20	CDCD	
COc1ccc(N(C)C[C@H]2CNCCO2)cc1Cl	852746527	MTHGVOAPPUQVCR-LLVKDONJSA-N	270.760	1.773	10	20	CDCD	
O=C(NCCCn1cccn1)c1cccc(O)c1O	126537430	NXIVVFYTJOFHPO-UHFFFAOYSA-N	261.281	1.114	10	20	CDCD	
COC[C@H](C)OC[C@H](O)CNc1ccccc1OC	234857653	HNSGURNXVQLIHX-NWDGAFQWSA-N	269.341	1.520	10	20	CDCD	
C[C@@]12CCC(=O)N1[C@@H](C(=O)Nc1ccc(N)cc1)CS2	237479849	XNEYNPVZBGWSTD-BXUZGUMPSA-N	291.376	1.661	10	20	CDCD	
CN(C(=O)c1cccc(O)c1O)[C@@H]1CCCC[C@H]1O	131809668	BWTSZOQGLZPZJQ-GHMZBOCLSA-N	265.309	1.473	10	20	CDCD	
C[C@@H](CCO)CCNC(=O)c1cccc(O)c1O	295316533	GHASBHNYNUMTNH-SECBINFHSA-N	253.298	1.236	10	20	CDCD	
CCOc1cccc(CN2CC[C@]3(CCNC3)C2)c1O	380350853	LCFUZCYFMVCYKV-INIZCTEOSA-N	276.380	1.976	10	20	CDCD	
C[C@](O)(CNCc1cc2c(cc1O)OCO2)C1CC1	389082722	LRDJNFSZHBRBHG-AWEZNQCLSA-N	265.309	1.372	10	20	CDCD	
O=C(CCc1cn[nH]c1)NCCc1ccc(O)c(O)c1	863897575	NTJRALMEEPUNCP-UHFFFAOYSA-N	275.308	1.112	10	20	CDCD	
O=C(O)[C@H]1CCCCN1Cc1cc(F)ccc1O	236440215	UJUSWQDONROWQL-LLVKDONJSA-N	253.273	1.970	10	20	CDCD	
CC[C@H](NC[C@@H](O)CN(C)C)c1ccc(N(C)C)cc1	305114709	HLCZZOPJBYEDCK-CVEARBPZSA-N	279.428	1.716	10	20	CDCD	
Cc1ccc(C(=O)NC2(CO)CCCC2)c(O)c1O	182912503	KWBMPBDOKBMNJW-UHFFFAOYSA-N	265.309	1.441	10	20	CDCD	
Oc1ccc(Br)cc1CN1C[C@@H]2CNC[C@H]2C1	220220295	PPLJFYMCVZVDHQ-QWRGUYRKSA-N	297.196	1.806	10	20	CDCD	
Nc1ccc(CN2CCn3c(nnc3C(F)(F)F)C2)cc1	81525970	YWSSTNSGHUIZIF-UHFFFAOYSA-N	297.284	1.895	10	20	CDCD	
COc1cc(N2CC[C@@H](O)[C@H](C)C2)c([N+](=O)[O-])cc1OC	253199938	SZTSHMZIJPSCIL-BXKDBHETSA-N	296.323	1.819	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1cccc(N)n1	269678405	KKWVYIMNASOEKA-UHFFFAOYSA-N	298.346	1.769	10	20	CDCD	
C[C@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)N(C)C	272395168	HIOHSSKCTQPNNP-BREXMAIKSA-N	264.325	1.177	10	20	CDCD	
CN(CC(F)(F)F)C(=O)c1c(F)ccc(O)c1O	276528048	HEYSZPYRAQHBHA-UHFFFAOYSA-N	267.178	1.871	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H](C)c2ncnn2C)c(O)c1O	276934533	VUMPHXHUBLVJQL-QMMMGPOBSA-N	276.296	1.026	10	20	CDCD	
Cc1onc(-c2cccnc2)c1C(=O)N1CCn2nccc21	375966228	XOMBQKAUURUMOA-UHFFFAOYSA-N	295.302	1.902	10	20	CDCD	
COC(=O)[C@@H](C)N(C)Cc1cccc(OC)c1O	280943521	SQWXDOHVWJNNEK-SECBINFHSA-N	253.298	1.394	10	20	CDCD	
C[C@H]1NCCC[C@H]1C(=O)NCCc1ccc(N)cc1	294707247	BDXBLQKYWKCJQA-BXUZGUMPSA-N	261.369	1.316	10	20	CDCD	
CN(Cc1cc2c(cc1O)OC[C@@H]2O)C[C@H]1CCCN1C	817373837	OVPGOQHSOUUGNW-DOMZBBRYSA-N	292.379	1.344	10	20	CDCD	
C[C@H](CN)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	829002871	GFPVHGRORRFVOC-OCCSQVGLSA-N	292.379	1.495	10	20	CDCD	
OCC1(O)CCN(Cc2cc(Cl)c(F)cc2O)CC1	827141963	ZOCZMGVNAFXOPX-UHFFFAOYSA-N	289.734	1.504	10	20	CDCD	
Cc1n[nH]cc1CCCNC(=O)c1cc(O)cs1	732281335	ZIJUVHCYZKUDON-UHFFFAOYSA-N	265.338	1.848	10	20	CDCD	
COc1cccc(CN2CC(OC(F)F)C2)c1O	839142515	AMHRHWVPERGRRX-UHFFFAOYSA-N	259.252	1.824	10	20	CDCD	
CCCSCC(=O)N(CC(=O)O)Cc1ccccc1O	911486939	QUOWJBOJPFLPPD-UHFFFAOYSA-N	297.376	1.949	10	20	CDCD	
C[C@@H]1C[C@@H](N2C(=O)CN(Cc3ccccc3O)C2=O)CO1	843314955	TWTOXOQYXBRBQL-ZYHUDNBSSA-N	290.319	1.334	10	20	CDCD	
CCOc1ccc(CN2CC[C@@H](CN)C2)c(O)c1	843048716	SUOMNICWFMZHJU-NSHDSACASA-N	250.342	1.572	10	20	CDCD	
CCOc1ccc(O)c(CN2CCCO[C@H](CN)C2)c1	841101198	RMAHHCZQDWEEJN-CQSZACIVSA-N	280.368	1.341	10	20	CDCD	
C[C@@H]1CN(C(=O)NCCc2ccc(N)cc2)CCS1	841958025	WBZFIPBICRYIRO-LLVKDONJSA-N	279.409	1.958	10	20	CDCD	
CC(C)N1CC[C@H](CNC(=O)NCc2ccccc2O)C1	748445475	ZDHZEIMYEKESBS-CYBMUJFWSA-N	291.395	1.922	10	20	CDCD	
CCc1cccc(CNC2(C(=O)NCCOC)CC2)c1O	848916602	KMEPUQXHNGAYJC-UHFFFAOYSA-N	292.379	1.339	10	20	CDCD	
OC[C@H](NCc1cc(F)ccc1O)[C@@H]1CCCOC1	840963482	OEDCFEPFQHZCAI-MFKMUULPSA-N	269.316	1.408	10	20	CDCD	
COc1ccc(O)c(CNC(=O)C[C@H](C)n2ccnc2)c1	845834481	PJGGRZYVMKRWDZ-NSHDSACASA-N	289.335	1.865	10	20	CDCD	
COc1cc([C@@H]2NC(=O)CN2C)c(O)c(C(C)(C)C)c1	849182794	NLIDWYQVNUERAQ-CQSZACIVSA-N	278.352	1.759	10	20	CDCD	
CNC[C@@H](C)NCc1cc(OC)c(OC)cc1O	853249867	XBSPHNTWGAOBDB-SECBINFHSA-N	254.330	1.107	10	20	CDCD	
Cc1cc(O)c(CNCCN2CC[C@H](O)C2)cc1C	858338485	HVGISBSXZDXQIY-AWEZNQCLSA-N	264.369	1.165	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@H]2C[C@H](N)C2)c1	852883439	DVYNVRQCMTZNPJ-GUBZILKMSA-N	264.325	1.315	10	20	CDCD	
CCC[C@H](O)C(=O)NCc1ccc(N2CCOCC2)cc1	930519952	OBQDZVDOOWSKFV-HNNXBMFYSA-N	292.379	1.300	10	20	CDCD	
COC[C@H](CN[C@H](C)c1cc(F)cc(F)c1O)OC	757636896	HILPQIFMQDRHAY-SCZZXKLOSA-N	275.295	1.982	10	20	CDCD	
O=C(CSc1cccc[n+]1[O-])NCc1ccccc1O	769362939	AOGUEUYECZCMNE-UHFFFAOYSA-N	290.344	1.434	10	20	CDCD	
Cc1cc(CNC(=O)[C@H]2CC(=O)N2)c(C)n1-c1ccccc1	863163917	TVYAMWKXJPXSJE-OAHLLOKOSA-N	297.358	1.599	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@@H](NC=O)C(C)C)c1	862754286	WPVRNMYDJODILF-ZDUSSCGKSA-N	264.325	1.087	10	20	CDCD	
CN(C)c1ccc(CNC(=O)C2CSC2)cc1F	865051535	NATYHRWHHWHKHY-UHFFFAOYSA-N	268.357	1.871	10	20	CDCD	
C[C@]1(CO)CCCN1C(=O)/C=C/c1ccc(O)c(O)c1	760095247	LMLIHNSHYHFFQN-CSPWOOARSA-N	277.320	1.484	10	20	CDCD	
O=C(O)CCCNC(=O)N1Cc2cccc(O)c2C1	874403734	QTRUHXUMUVOSTR-UHFFFAOYSA-N	264.281	1.282	10	20	CDCD	
COCCN(C)C(=N)NCc1ccc(N2CC=CC2)cc1	871605622	QEONOXJHOIPBGE-UHFFFAOYSA-N	288.395	1.665	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1C[C@@H](O)C1	874232961	YPXRXUCOMJVACZ-OTVXOJSOSA-N	276.380	1.872	10	20	CDCD	
COc1ccc2c(c1)CCCN2CCN1CCOC1=O	771621922	PFKGTQYNZRVWHP-UHFFFAOYSA-N	276.336	1.900	10	20	CDCD	
CS(=O)(=O)c1ccc(/C=C2/SC(=O)NC2=O)o1	1119116609	QXDCUDZUYCYQAK-GQCTYLIASA-N	273.291	1.007	10	20	CDCD	
CCN(C)c1ccc(CN2CCN(C)C[C@@H]2CO)cc1	879001436	XDATXXPUWCMTKY-MRXNPFEDSA-N	277.412	1.251	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NCc1cccc(F)n1	779534622	PXBWTIDGMKZCQL-FNORWQNLSA-N	288.278	1.962	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H](C)[C@@H]2CCCOC2)c(O)c1O	781029271	PKVDNJCRRQSLEQ-WDEREUQCSA-N	279.336	1.951	10	20	CDCD	
C[C@]1(CNC(=O)NCc2ccc(N)cc2)CCCNC1	1120630435	ATDKCBGCMAFWBZ-HNNXBMFYSA-N	276.384	1.458	10	20	CDCD	
C[C@@]1(CO)CCCN1Cc1ccc(N2CCOCC2)cc1	789556565	CMOAQWDQOQOGHN-KRWDZBQOSA-N	290.407	1.870	10	20	CDCD	
COc1ccc(O)c(CN2CCO[C@@H](OC)C2)c1	895969184	YTRBRUCWZPHKMM-CYBMUJFWSA-N	253.298	1.206	10	20	CDCD	
COc1ccc(O)c(CNC(=O)CC(C)(C)O)c1	792238620	TUHBLZVHWBKGNK-UHFFFAOYSA-N	253.298	1.178	10	20	CDCD	
CCc1cccc(CNC2(C)CN(C(=O)OC)C2)c1O	894542844	PUFKPSCMDGZWRQ-UHFFFAOYSA-N	278.352	1.885	10	20	CDCD	
CCOc1ccc(CN2CCO[C@H](OC)C2)c(O)c1	895968400	BTSDBOYMMBHOEL-AWEZNQCLSA-N	267.325	1.596	10	20	CDCD	
CNC(=O)[C@]1(C)CCN(Cc2cc(C)cc(C)c2O)C1	797417366	RFWPSZUZGLKTSJ-MRXNPFEDSA-N	276.380	1.967	10	20	CDCD	
CSc1cc(O)ccc1NS(=O)(=O)c1c[nH]nc1C	792702989	MLJRILTUIJMEAS-UHFFFAOYSA-N	299.377	1.946	10	20	CDCD	
Nc1cccc(S(=O)(=O)NCc2ccccc2O)c1	722214788	NTIPLRGBZBPLEH-UHFFFAOYSA-N	278.333	1.453	10	20	CDCD	
Cc1cccc(CN(C)Cc2nnc3n2CCC3)c1O	775645572	OLMILIVZLOKPLX-UHFFFAOYSA-N	272.352	1.870	10	20	CDCD	
COc1cccc(CN2C[C@H](C)N(C)C[C@H]2C)c1O	775984584	GZFWCEUIBZBRGC-NWDGAFQWSA-N	264.369	1.925	10	20	CDCD	
C[C@@H]1CN(C(=O)C(=O)N(C)Cc2ccccc2O)C[C@H]1C	1330995393	BGOSYKPILOQRIA-VXGBXAGGSA-N	290.363	1.465	10	20	CDCD	
CN(C)[C@H]1CCC[C@H](NC(=O)NCc2ccc(N)cc2)C1	1262577383	OXRNLLGBYMOCAV-GJZGRUSLSA-N	290.411	1.941	10	20	CDCD	
CCC1(C(=O)NCc2cccc(O)c2O)COC1	1352658881	ZNQQXSGLMQYWPT-UHFFFAOYSA-N	251.282	1.141	10	20	CDCD	
C[C@@H](N[C@H]1CCCNC1)c1cc(C(=O)O)ccc1O	1604356784	DBKPRDPVMJEFAI-KOLCDFICSA-N	264.325	1.493	10	20	CDCD	
Cc1ccc(C(=O)N(C)C(C)(C)CC(=O)O)c(O)c1O	1607726570	RJXTYCCMCRHHCV-UHFFFAOYSA-N	281.308	1.732	10	20	CDCD	
C[C@@H](CN(C)C(=O)c1ccc(N=NC(N)=O)cc1)C(=O)O	1603155970	OQRGUWGQRAEPPL-QMMMGPOBSA-N	292.295	1.642	10	20	CDCD	
O=C(O)CCNC(=O)c1cc2cc(O)c(O)cc2s1	1608730079	SKNOWNDLSOKPJN-UHFFFAOYSA-N	281.289	1.517	10	20	CDCD	
O=C(O)[C@@H]1OCC[C@@H]1CNCc1cccc(F)c1O	1602201810	GLEKHGZTHZPMJT-BXKDBHETSA-N	269.272	1.111	10	20	CDCD	
COC(=O)CCCCN(C)c1ccc(OCC(=O)O)cc1	1598850944	NGDCGEBRYNZTSK-UHFFFAOYSA-N	295.335	1.930	10	20	CDCD	
C[C@@H](NCCN1CCNC1=O)c1ccc(N(C)C)cc1	808748536	RNTOZIXYZMJIQP-GFCCVEGCSA-N	276.384	1.428	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCC[C@H]1c1ncon1	848113762	LUEWKFTUMYBRTE-VIFPVBQESA-N	275.264	1.458	10	20	CDCD	
Cc1ccc([C@H](C)NC[C@@H]2CCCNC2=O)c(O)c1	840825329	DWHHFRDGZMTSJF-RYUDHWBXSA-N	262.353	1.877	10	20	CDCD	
CCn1cnnc1CN[C@H](C)c1ccc(F)cc1O	230658828	RECKMUOKLLKWKZ-SECBINFHSA-N	264.304	1.994	10	20	CDCD	
CN(C)c1ccc(CNC(=O)C[C@@H]2CCCN2)cc1	42171305	PFWHHSCNDUDLHV-ZDUSSCGKSA-N	261.369	1.511	10	20	CDCD	
CCOc1cccc(CN[C@H](C)c2ncn(C)n2)c1O	275827476	NSINDVRZWCVGEA-SNVBAGLBSA-N	276.340	1.770	10	20	CDCD	
CC(C)(CN1CCOCC1)NCc1cc(F)ccc1O	308630314	DVKMKNPYONQFPP-UHFFFAOYSA-N	282.359	1.732	10	20	CDCD	
C[C@H](NC[C@@H]1CCC(=O)N1)c1ccc(N(C)C)cc1	79927446	DFIDABGVKULCFD-AAEUAGOBSA-N	261.369	1.682	10	20	CDCD	
C[C@@H](NC[C@]1(O)CCN(C)C1)c1ccc(F)cc1O	702652494	LISNYEKQHCAJRX-QMTHXVAHSA-N	268.332	1.249	10	20	CDCD	
CCn1cc(CNCc2ccc(OC)cc2O)cn1	688524572	RXMQPJBHBMSDAU-UHFFFAOYSA-N	261.325	1.907	10	20	CDCD	
CS(=O)(=O)CCCCNCc1cccc(Cl)c1O	692820483	ZEDFZQVANSLXKK-UHFFFAOYSA-N	291.800	1.960	10	20	CDCD	
CO[C@@H]1COC[C@H]1NCc1cccc(Cl)c1O	843428215	UTLDNWKYBRTHLT-GHMZBOCLSA-N	257.717	1.549	10	20	CDCD	
CCS(=O)(=O)CCNCc1c(O)cccc1Cl	113334986	IAQFIXUBKLVTQZ-UHFFFAOYSA-N	277.773	1.570	10	20	CDCD	
CN(C)c1ccc(CNC(=O)Cn2cccn2)cc1F	58731344	ZXDPSMYYIULQEW-UHFFFAOYSA-N	276.315	1.405	10	20	CDCD	
Cn1cnc(C(=O)NCc2c(O)ccc3c2CCCC3)c1	179362213	JUXKZLXIRYISPM-UHFFFAOYSA-N	285.347	1.935	10	20	CDCD	
C[C@@H](CO)CSCC(=O)NCc1ccc(N(C)C)cc1	173309447	HBZQJNGOYWBCRT-LBPRGKRZSA-N	296.436	1.730	10	20	CDCD	
O=C(CC[C@@H]1CCOC1)NCCc1ccc(O)c(O)c1	122092807	GLDBEJYKEFPNCV-GFCCVEGCSA-N	279.336	1.573	10	20	CDCD	
COCCCNC(=O)CN(C)Cc1cc(C)ccc1O	121456608	NIUQNLCGIHZECL-UHFFFAOYSA-N	280.368	1.285	10	20	CDCD	
COc1cccc(CNC(=O)NCc2cnn(C)c2)c1O	73823204	JEDOKIMGADULIB-UHFFFAOYSA-N	290.323	1.134	10	20	CDCD	
O=S1CCN(Cc2cc(Cl)ccc2O)CC1	132682665	YBQSHCAJZXGLAC-UHFFFAOYSA-N	259.758	1.610	10	20	CDCD	
COC1(CCNC(=O)c2cccc(O)c2O)CCC1	293831836	GNXPIHKWTKUEMC-UHFFFAOYSA-N	265.309	1.787	10	20	CDCD	
C[C@@H](O)CN(C)C(=O)NCCCSc1nccs1	91228607	OEEYTJBNAKYNRM-SECBINFHSA-N	289.426	1.648	10	20	CDCD	
CC[C@H]1CN(Cc2cc3c(cc2O)OCO3)C[C@@H]1O	271238505	BQEXJORRLDADAF-CABZTGNLSA-N	265.309	1.324	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CC[C@](O)(C2CC2)C1	365925586	JCOHOCVZOLYCJE-CQSZACIVSA-N	263.293	1.085	10	20	CDCD	
COc1cccc(CNC(=O)C(C)(C)OC(C)=O)c1O	275403539	AYMVYTDDHNAZKJ-UHFFFAOYSA-N	281.308	1.359	10	20	CDCD	
COCC[C@H](C)NCc1ccc([N+](=O)[O-])c(OC)c1O	278616436	FFZXUBXXDBAOOX-VIFPVBQESA-N	284.312	1.824	10	20	CDCD	
COCCCn1nccc1CNCc1ccccc1O	282551325	COKHLRBTCRNOCJ-UHFFFAOYSA-N	275.352	1.915	10	20	CDCD	
C[C@H](O)CNCc1c(O)cccc1Br	706821735	OCFKCDOJTLSDQK-ZETCQYMHSA-N	260.131	1.625	10	20	CDCD	
Cc1cnc(COC(=O)c2cc(O)cs2)nc1	808516125	AIPHIJMEFLWULW-UHFFFAOYSA-N	250.279	1.909	10	20	CDCD	
COc1cccc([C@H]2NC(=O)CN2CC(C)C)c1O	298773723	FYFYNNVTUODMFT-AWEZNQCLSA-N	264.325	1.487	10	20	CDCD	
Cc1ccc(C(=O)N2CC[C@@H](O)C23CCCC3)c(O)c1O	817582874	MLKUFLOKEVSQFG-GFCCVEGCSA-N	291.347	1.926	10	20	CDCD	
NC(=O)[C@H]1CC[C@H](CNCc2ccccc2O)CC1	817412587	MWQRYZOOGMHAJQ-HAQNSBGRSA-N	262.353	1.774	10	20	CDCD	
COCCOc1ccccc1NC[C@H](O)Cn1cccn1	819426184	KXOXCDBDRNTNCG-ZDUSSCGKSA-N	291.351	1.381	10	20	CDCD	
C[C@@H](NC1CNC1)c1ccc(N2CCOCC2)c(F)c1	817955115	QNDKJKMSEGXRNQ-LLVKDONJSA-N	279.359	1.285	10	20	CDCD	
CCN(CC(=O)O)Cc1cc(F)cc(C(C)=O)c1O	829635462	KHXLFSIATSNQIR-UHFFFAOYSA-N	269.272	1.640	10	20	CDCD	
CCOc1ccc(O)c(CN(C)C[C@H](C)C(=O)O)c1	833662975	PLZAVXCTJFPIMS-JTQLQIEISA-N	267.325	1.943	10	20	CDCD	
CC(C)(C)c1n[nH]c(CNC(=O)c2cccc(O)c2O)n1	837941759	TYZYVTMZQWCGHF-UHFFFAOYSA-N	290.323	1.443	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@]2(C(=O)O)C[C@H]2C)c1	901609179	NKUCPIQHBLYARO-XWRVAKJBSA-N	293.319	1.689	10	20	CDCD	
O=C(N[C@@H]1CCN2CCC[C@H]2C1)c1cc(O)cs1	732273087	VSZVHHUMSUNDAV-ZJUUUORDSA-N	266.366	1.810	10	20	CDCD	
C[C@@H](NC(=O)Cc1ccc(N)cc1)[C@@H](O)Cc1ccccc1	831425878	HQRUZNLJJBXHSM-DYVFJYSZSA-N	298.386	1.920	10	20	CDCD	
Nc1ncc2c(n1)CCN(C(=O)c1cc(O)cs1)C2	834301480	RIPSTLNKJIBWEP-UHFFFAOYSA-N	276.321	1.024	10	20	CDCD	
CN1C[C@H]2CN(C(=O)c3cc(O)cs3)C[C@H]2C1	834655361	ALRZQFBMDPPMSQ-DTORHVGOSA-N	252.339	1.087	10	20	CDCD	
COc1ccc2c(c1)CCCN2CC(=O)N1CCC1	914612448	CWMLDUBAHNYACO-UHFFFAOYSA-N	260.337	1.680	10	20	CDCD	
Cc1cc(CN2CCOC[C@H]2CC(=O)O)ccc1N(C)C	846271988	KNTUCSAZAOWTTG-CQSZACIVSA-N	292.379	1.737	10	20	CDCD	
CC(C)[C@@H](N)CNCc1ccc(N2CCOCC2)cc1	841029926	OYEUJFUADWZJBY-INIZCTEOSA-N	277.412	1.596	10	20	CDCD	
COCCNC(=N)NCc1cc(Cl)cc(Cl)c1O	849028549	NIKJMTKFFRSRPC-UHFFFAOYSA-N	292.166	1.959	10	20	CDCD	
Cc1noc(C)c1C(=O)OCC(=O)c1ccc(O)c(O)c1	916595492	LWFSXHQVCSXLLE-UHFFFAOYSA-N	291.259	1.742	10	20	CDCD	
CCCN1CC[C@@H](NC(=O)c2cc(OC)nc(OC)c2)C1	1015104120	QHHGKISLKBLKLZ-GFCCVEGCSA-N	293.367	1.313	10	20	CDCD	
CN(C)c1ccc([C@@H](N)CNC(=O)C2CC=CC2)cc1	844163053	USXCHCWUELXWJX-HNNXBMFYSA-N	273.380	1.835	10	20	CDCD	
CC[C@H](C)[C@@](C)(O)CNC(=O)NCCc1ccc(N)cc1	841955187	VFOATCKLOSPIBP-LRDDRELGSA-N	293.411	1.908	10	20	CDCD	
NC(=O)[C@@H]1CC[C@H]1C(=O)NCCCSc1nccs1	847487323	BPAUEFOOXFLFPD-RKDXNWHRSA-N	299.421	1.253	10	20	CDCD	
CS[C@@H]1CCN(Cc2cc3c(cc2O)OC[C@@H]3O)C1	840112510	DFGRXBSKPGWQLY-MFKMUULPSA-N	281.377	1.755	10	20	CDCD	
Cc1ccc(C(=O)N(C)[C@H]2CCC(=O)N(C)C2)c(O)c1O	848129466	QBCGFGSOJSUMNN-JTQLQIEISA-N	292.335	1.099	10	20	CDCD	
Cc1cc(O)c(CNCCCn2cncn2)cc1C	742369397	FDCRXHNXDHAQDO-UHFFFAOYSA-N	260.341	1.780	10	20	CDCD	
N[C@H]1C[C@@H](C(=O)NCc2c(O)ccc3c2CCCC3)C1	843490725	XDJJPQYIEZDKKZ-TXEJJXNPSA-N	274.364	1.625	10	20	CDCD	
Cc1noc([C@@H](C)N(C)C(=O)c2cccc(O)c2O)n1	848323079	BPPGZMXDRKAXFH-SSDOTTSWSA-N	277.280	1.622	10	20	CDCD	
COCCCCN(C)C(=O)c1c(F)ccc(O)c1O	842276930	AEGHREBHFGSNBO-UHFFFAOYSA-N	271.288	1.736	10	20	CDCD	
O=C(OCCn1ccc([N+](=O)[O-])n1)c1cccc(O)c1O	758560488	LSZGUZHMJUSNAH-UHFFFAOYSA-N	293.235	1.060	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)OC[C@@H]1CCCO1	759579702	NXDXOTBGKMTIDZ-MALLOTDXSA-N	264.277	1.833	10	20	CDCD	
CN(CC1=CCCOC1)C(=O)c1c(F)ccc(O)c1O	857318599	SXSXZTHXADDMEW-UHFFFAOYSA-N	281.283	1.656	10	20	CDCD	
COc1cccc([C@@H](C)NC[C@H]2C[C@@H](O)C2)c1O	858543452	JAEVMPDZCKQXCQ-MXWKQRLJSA-N	251.326	1.822	10	20	CDCD	
C[C@H]1C(=O)N(C)CCN1Cc1cc(F)c(N(C)C)cc1F	862333494	SHMRQYHHKSMADW-JTQLQIEISA-N	297.349	1.693	10	20	CDCD	
CC(C)(C)[C@@H](O)C(=O)NCCc1ccc(O)c(O)c1	767775747	ULOZSSVJYUCDPN-LBPRGKRZSA-N	267.325	1.164	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)c1ccc2cc[nH]c2n1	779535824	LDAKEMXWOYRIOL-UHFFFAOYSA-N	283.287	1.904	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N[C@H]2C[C@@H](CO)C2)cc1F	875179917	GXXXRUYKSNODJO-TXEJJXNPSA-N	295.358	1.462	10	20	CDCD	
COc1cccc(O)c1CN1CCC[C@@H](CNC(C)=O)C1	771938474	MAORWIQGENVGOH-ZDUSSCGKSA-N	292.379	1.749	10	20	CDCD	
O=C(NCc1cccc(O)c1O)[C@H]1CCc2cncn2C1	1123978213	RKWHOKAVKLEZLQ-NSHDSACASA-N	287.319	1.173	10	20	CDCD	
O=C(NC1CCN([C@H]2CCOC2)CC1)c1cc(O)cs1	771040763	SMSYYXDNASSXDZ-NSHDSACASA-N	296.392	1.437	10	20	CDCD	
C[C@H](N[C@@H]1CC(=O)N(C2CC2)C1)c1c(O)cccc1F	886550348	XWBQBDLFWPXUQB-VHSXEESVSA-N	278.327	1.945	10	20	CDCD	
CSC[C@@H](C)C(=O)OCC(=O)c1ccc(O)c(O)c1	783582320	JSUZIPPUYIVHHV-MRVPVSSYSA-N	284.333	1.823	10	20	CDCD	
COc1cc(C)cc(CN[C@@H]2CS(=O)(=O)C[C@@H]2C)c1O	895794982	QVZPPOLAHCRLJN-CMPLNLGQSA-N	299.392	1.232	10	20	CDCD	
Cc1ncc(C(=O)OCC(=O)c2ccc(O)c(O)c2)s1	783251216	VBDJGKLZLTXNLS-UHFFFAOYSA-N	293.300	1.902	10	20	CDCD	
Cc1cc(C)c([C@@H](C)N[C@@H](C)CC(N)=O)c(O)c1	788630084	FKSUMLMDBRQWDW-WDEREUQCSA-N	250.342	1.924	10	20	CDCD	
C[C@@H](NCCN1CCOC[C@H]1C)c1ccccc1O	783507647	CVYDOBVYQFQNRI-CHWSQXEVSA-N	264.369	1.764	10	20	CDCD	
O=C(CNCc1c(O)ccc(Cl)c1F)NCC(F)F	795593510	COWQHIHVLFXJGY-UHFFFAOYSA-N	296.676	1.656	10	20	CDCD	
C[C@@H]1COCCN1CCNCc1cc(F)cc(F)c1O	1331287265	BWUOVIIKAODOPY-SNVBAGLBSA-N	286.322	1.481	10	20	CDCD	
COc1ccc(CNCc2ccc(C(=O)O)n2C)c(O)c1	1607260458	RMIXRWUKEAMSKC-UHFFFAOYSA-N	290.319	1.727	10	20	CDCD	
CNC(=O)C(C)(C)CN[C@@H](C)c1cc(C(=O)O)ccc1O	1610142702	QNXASGYXMHASPR-VIFPVBQESA-N	294.351	1.513	10	20	CDCD	
Cc1nc(C)c(CC(=O)NCc2ccc(N)cc2)c(O)n1	1579849424	SMTJMSZEEYCFGE-UHFFFAOYSA-N	286.335	1.240	10	20	CDCD	
C[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C(=O)O	1574062923	JZLLUOFYJLVZMJ-LURJTMIESA-N	264.241	1.052	10	20	CDCD	
COCCCNC(=O)CSc1ncc(C(=O)O)s1	1599227659	YQMOLBKBOBBVRV-UHFFFAOYSA-N	290.366	1.086	10	20	CDCD	
C[C@H](N[C@@H](CO)CC1CC1)c1cc(C(=O)O)ccc1O	1593207876	FDAKYOXBIUVRDA-JOYOIKCWSA-N	279.336	1.902	10	20	CDCD	
COC[C@H](NCc1cc(Cl)cc(OC)c1O)C(=O)O	1599176996	KBWDJKUFKKZNMP-VIFPVBQESA-N	289.715	1.243	10	20	CDCD	
COc1ccc(O)c(Cn2c(=O)[nH]c3ccccc3c2=O)c1	153364216	ASPXICZKRODKQR-UHFFFAOYSA-N	298.298	1.452	10	20	CDCD	
COc1ccc(N(C)CC2CCS(=O)(=O)CC2)cc1	844352680	CANQALYTOIVQLM-UHFFFAOYSA-N	283.393	1.956	10	20	CDCD	
CN(C)c1ccc(CNCC(C)(C)OCCO)cc1	288523357	UYDXAHCCHTYSMY-UHFFFAOYSA-N	266.385	1.630	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(=O)n(C)c1	120025298	FEVZEGOCWNGNPP-UHFFFAOYSA-N	299.374	1.724	10	20	CDCD	
CCN(C)C(=O)[C@@H](C)NCc1cc(C)ccc1O	188476497	NDZUEHWBOYEBTN-LLVKDONJSA-N	250.342	1.657	10	20	CDCD	
C[C@@H](NC(=O)C(C)(C)C)C(=O)N(C)Cc1ccccc1O	77258352	WNXZGBKIUPEKKU-LLVKDONJSA-N	292.379	1.901	10	20	CDCD	
CCNC(=O)[C@@H](C)NC(=O)NCc1ccc(N(C)C)cc1	46072227	PSXUYSLHGFDNFM-LLVKDONJSA-N	292.383	1.076	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)c1ccc(C(N)=O)cc1	136950727	QFWQFMHBIWKRLB-UHFFFAOYSA-N	284.315	1.763	10	20	CDCD	
COC(=O)CCCC(=O)NCc1ccc(N(C)C)c(F)c1	131051393	ZXKXIQKSJYLEAZ-UHFFFAOYSA-N	296.342	1.851	10	20	CDCD	
Cc1n[nH]nc1C(=O)NCc1ccc(N(C)C)c(F)c1	193947942	XGEVEQLFUOPQDZ-UHFFFAOYSA-N	277.303	1.248	10	20	CDCD	
Oc1cc2c(cc1CNC[C@H](O)c1ccccc1)OCO2	42879725	FMOFTYDDSWGDLN-AWEZNQCLSA-N	287.315	1.944	10	20	CDCD	
COCCC(=O)N1CCCN(c2ccc(OC)cc2)CC1	364104285	RNFXCJDVELTKDM-UHFFFAOYSA-N	292.379	1.770	10	20	CDCD	
Cn1ccnc1[C@H]1OCC[C@@H]1NCc1cccc(F)c1O	275390658	BXHAHXMCPAUGCF-JSGCOSHPSA-N	291.326	1.885	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H]2CCC[C@H]2O)c1O	278471298	HESXXGVYWMGQNG-MWLCHTKSSA-N	282.296	1.312	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)Cc2nnc(C)o2)c1	813489245	TXXSZTCBQIFDML-QMMMGPOBSA-N	291.307	1.512	10	20	CDCD	
C[C@@H](NCCN)c1cc(Br)c(F)cc1O	817935516	XGYMLXXOIMPMIP-ZCFIWIBFSA-N	277.137	1.903	10	20	CDCD	
COc1cccc(CN[C@H](C)Cc2cnccn2)c1O	725849064	FXEJSGAQWPYDAR-LLVKDONJSA-N	273.336	1.912	10	20	CDCD	
CC(C)[C@H](CNC(=O)c1cc(O)cs1)N1CCOCC1	731867447	KRDYRXIGNRFAOC-LBPRGKRZSA-N	298.408	1.540	10	20	CDCD	
COC[C@H]1COCCN1Cc1cc(C)c(C)cc1O	902561257	BSIKMIIWNZQAKD-AWEZNQCLSA-N	265.353	1.856	10	20	CDCD	
C[C@@H](NC(=O)[C@@H](O)C1CC1)c1ccc(N(C)C)cc1	832431570	QZTFNHWWVJTIAR-YGRLFVJLSA-N	262.353	1.701	10	20	CDCD	
CC[C@@H](CO)N(C)C(=O)NCc1ccc(N(C)C)c(F)c1	838030522	UIFSYSJGTXICNH-LBPRGKRZSA-N	297.374	1.804	10	20	CDCD	
COc1ccc(CNC(=O)[C@H](C)[C@@H](C)N)c(O)c1	832178806	XJZGPYNBXTZVPG-RKDXNWHRSA-N	252.314	1.000	10	20	CDCD	
Cc1ccc(C(=O)OCC2CCOCC2)c(O)c1O	733010742	NVWHBCPKPANGGS-UHFFFAOYSA-N	266.293	1.990	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)NCCCN(C)C	734651867	CYPBEWFACCHGES-UHFFFAOYSA-N	292.427	1.812	10	20	CDCD	
CC(C)C[C@H](C(N)=O)C(=O)N(C)Cc1ccccc1O	839542290	QIQIRAWKDXKIDH-GFCCVEGCSA-N	278.352	1.498	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N1C[C@H](F)[C@H](F)C1	836819539	OLXCMKALWQOADG-PGMMKWOSSA-N	269.247	1.629	10	20	CDCD	
NC(=O)[C@H]1CC[C@@H]1C(=O)NCCCSc1nccs1	847487322	BPAUEFOOXFLFPD-IUCAKERBSA-N	299.421	1.253	10	20	CDCD	
CCC[C@H](C)C(=O)NCCNC(=O)Nc1ccc(N)cc1	841300626	YAEHWLNLFCXFDT-NSHDSACASA-N	292.383	1.943	10	20	CDCD	
Oc1cc2c(cc1CN1CC[C@@H](F)C1)[C@H](O)CO2	840103644	NIUJHEVWXKTPTL-BXKDBHETSA-N	253.273	1.362	10	20	CDCD	
COC[C@H](CO)N[C@@H](C)c1cccc(OC)c1O	846166836	DIHHJBMLRUPDBU-UWVGGRQHSA-N	255.314	1.059	10	20	CDCD	
COc1cccc(CN2[C@H]3CCNC[C@H]2CC3)c1O	843057446	DMBOQMJWFAPFTA-CHWSQXEVSA-N	262.353	1.727	10	20	CDCD	
CN(CCN)C(=O)NCc1ccc(N2CC=CC2)cc1	841831781	FEQXNCKPDOXXOG-UHFFFAOYSA-N	274.368	1.163	10	20	CDCD	
COc1cccc([C@@H](C)NCC2(CO)CC2)c1O	846149365	YEVVPYGEMSVRLI-SNVBAGLBSA-N	251.326	1.824	10	20	CDCD	
CCS(=O)(=O)CCN[C@@H](C)c1cc(F)cc(F)c1O	756532511	COVLZOKVZCCSGC-QMMMGPOBSA-N	293.335	1.756	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)N[C@H]2C[C@H](CO)C2)c1	927148583	SQVPTAUCBHEQEE-CKYFFXLPSA-N	279.336	1.600	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N(CCO)CC2CC2)cc1	920278625	MIOCKVRZCFFRCF-UHFFFAOYSA-N	291.395	1.667	10	20	CDCD	
CC(C)(F)CCNC(=O)C(=O)Nc1ccc(N)cc1	850846939	WNPIVGRBAYIAGT-UHFFFAOYSA-N	267.304	1.462	10	20	CDCD	
CN(C)c1ccc(CN(C[C@H]2CNC(=O)C2)C2CC2)cc1	851732494	RVEFIEZPGHPSBF-CQSZACIVSA-N	287.407	1.853	10	20	CDCD	
C[C@H](Nc1cnn(CCO)c1)c1ccc(F)cc1O	756856418	PIUNRBGUNPTGNY-VIFPVBQESA-N	265.288	1.893	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCO[C@H]1CN	852882630	NFDODTPHKQMNAP-CABCVRRESA-N	291.395	1.075	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1nnc(C)s1	935945990	RYAPTHXJWBRWJS-UHFFFAOYSA-N	298.364	1.968	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@@H](CO)CC2CC2)c1	756770264	VNAAYWAJVUGTDC-GXFFZTMASA-N	293.363	1.990	10	20	CDCD	
CO[C@@H]1CCN(CC(=O)NCc2ccc(N(C)C)cc2)C1	752321981	LJJKLFPRQLNTTR-OAHLLOKOSA-N	291.395	1.090	10	20	CDCD	
CN(C(=O)C1(S(C)(=O)=O)CCC1)c1ccc(N)cc1	877076915	WXNGRUFOWXZMPX-UHFFFAOYSA-N	282.365	1.199	10	20	CDCD	
Cc1ccc(CNCC(C)(C)NS(C)(=O)=O)c(O)c1	877008031	DSXROBQCPBBDHZ-UHFFFAOYSA-N	286.397	1.118	10	20	CDCD	
Cc1c(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)nnn1C	772999071	LAWQKFWAZMDCDP-SNVBAGLBSA-N	287.367	1.681	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)c2ccncn2)c1	779002365	XRGMFEQDBITDIN-VIFPVBQESA-N	273.292	1.682	10	20	CDCD	
Cc1ccc(-n2[nH]nnc2=NCc2ccccc2O)cc1	774524041	MWFVDBTWAOLRQD-UHFFFAOYSA-N	281.319	1.710	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCCN(C(=O)C2CC2)CC1	782011166	KPUWSBQSGURHAA-UHFFFAOYSA-N	294.376	1.538	10	20	CDCD	
COc1ccc(CN[C@H](C)C2(CO)CC2)c(O)c1OC	895344588	RMJYCFXDHZIXRM-SNVBAGLBSA-N	281.352	1.660	10	20	CDCD	
COc1cccc(O)c1CN1CCN(CCO)C(C)(C)C1	783713796	KGUCBDWTPSHWNK-UHFFFAOYSA-N	294.395	1.289	10	20	CDCD	
COc1cc(C)cc(CN2C[C@H](O)C[C@]2(C)CO)c1O	895323220	AWZVWNBYUMAOPL-IUODEOHRSA-N	281.352	1.027	10	20	CDCD	
COc1ccc(CNCCc2ccn(C)n2)c(O)c1OC	893595254	VCCGAUACIHSMBJ-UHFFFAOYSA-N	291.351	1.475	10	20	CDCD	
COc1cc(C)cc(CN2CCC3(C2)OCCO3)c1O	893994660	CGKWCPGHWQMABN-UHFFFAOYSA-N	279.336	1.658	10	20	CDCD	
CN(C)C(=O)N1CCN(Cc2c(O)cccc2Cl)CC1	133606448	DCHQZFOUQIEMAW-UHFFFAOYSA-N	297.786	1.845	10	20	CDCD	
C[C@@H](NC(=O)NCc1ccc(N)cc1)[C@@H]1CCCOC1	1338584359	YMKDHCIJHMVRDW-DGCLKSJQSA-N	277.368	1.883	10	20	CDCD	
C[C@@H](CNCc1cc(F)c(N(C)C)cc1F)C(=O)O	1261845627	IYOIRLVXCCQCSE-QMMMGPOBSA-N	272.295	1.841	10	20	CDCD	
CN(C)c1ccc(CN[C@H]2CCOC[C@@H]2CC(=O)O)cc1	1343443953	ORSKXRQLBSSSRL-ZFWWWQNUSA-N	292.379	1.722	10	20	CDCD	
COc1ccc(O)c(CNC(=O)N[C@H]2CO[C@@H](C)C2)c1	1349093511	QFYWHUYOBKHOBB-GXSJLCMTSA-N	280.324	1.377	10	20	CDCD	
O=C(C[C@H]1CSCCS1)NCc1cccc(O)c1O	1528771358	OEUGPVNBWJYENA-JTQLQIEISA-N	299.417	1.953	10	20	CDCD	
CCOc1cccc(CN2CCCNC[C@@H]2C(=O)O)c1O	1605704219	CRFZJMURDJOYKJ-GFCCVEGCSA-N	294.351	1.039	10	20	CDCD	
CC[C@H](NC1CCN(CC(=O)O)CC1)c1ccccc1O	1603585427	DLVFUCXWNMZWEA-AWEZNQCLSA-N	292.379	1.982	10	20	CDCD	
O=C(Cc1ccc(O)c(O)c1)NCc1ccoc1C(=O)O	1601361972	RZMWNCVOPPVLHH-UHFFFAOYSA-N	291.259	1.248	10	20	CDCD	
O=C(O)[C@@H]1[C@H]2CN(Cc3cc(F)ccc3O)C[C@H]21	1608817058	WMFCIUHZMBFRTB-IAZYJMLFSA-N	251.257	1.294	10	20	CDCD	
CC(C)(N)CCNC(=O)NCc1cc(Cl)ccc1O	1575354081	NFDYKCDQHNUZJN-UHFFFAOYSA-N	285.775	1.972	10	20	CDCD	
C[C@H](N[C@@H](CN)C1CC1)c1cc(C(=O)O)ccc1O	1593207343	CIYZQAXEWNNKOO-UFBFGSQYSA-N	264.325	1.478	10	20	CDCD	
CCC[C@](C)(NC(=O)Cc1ccc(O)c(O)c1)C(=O)O	1595547594	VWYWCHGGCPXWFO-AWEZNQCLSA-N	281.308	1.400	10	20	CDCD	
CCOC[C@H](NCc1ccc2c(c1)CCO2)C(=O)O	1776906636	IFTFATQMHKMDMV-LBPRGKRZSA-N	265.309	1.201	10	20	CDCD	
C[C@@H](CNC(=O)c1cccc(O)c1O)N1CCCCC1	126360038	FORPPNGPDIISAD-NSHDSACASA-N	278.352	1.702	10	20	CDCD	
CN1CCC(CCNC(=O)Cc2ccc(N)cc2)CC1	157217130	FAWFDQKFAHEPRJ-UHFFFAOYSA-N	275.396	1.659	10	20	CDCD	
CCC(CC)(CNC(=O)Cc1ccc(N)cc1)C(=O)O	165075515	FYCJNZLADJLMPG-UHFFFAOYSA-N	278.352	1.819	10	20	CDCD	
Oc1c(Cl)cc(Cl)cc1CN[C@@H]1COC[C@H]1O	295745565	WWEXQWXQMNYWHK-NXEZZACHSA-N	278.135	1.548	10	20	CDCD	
COc1ccc(O)c(CN2CC[C@H]3NCC[C@@H]3C2)c1	311856399	JTKAENINWNAOGU-BXUZGUMPSA-N	262.353	1.585	10	20	CDCD	
NC(=O)C[C@@H]1CCN(Cc2c(O)cccc2Cl)C1	368134343	LVOYXZIWFCRXMY-VIFPVBQESA-N	268.744	1.743	10	20	CDCD	
CCc1cccc(CN2CCS(=O)CC2)c1O	692107014	BECPUQXJZZJNJC-UHFFFAOYSA-N	253.367	1.519	10	20	CDCD	
CC[C@@H](OC)C(=O)NCc1ccc(N2CCOCC2)cc1	68226568	CRDNOFMFDFGTCS-OAHLLOKOSA-N	292.379	1.564	10	20	CDCD	
COc1cc(Cl)cc(CN(C)CC(=O)O)c1O	128619817	MOBZLIOXBAEKRV-UHFFFAOYSA-N	259.689	1.571	10	20	CDCD	
O=C(/C=C/c1ccc[nH]1)NCc1ccc(O)c(O)c1	188555582	BVPBMLJHBKMDEL-GQCTYLIASA-N	258.277	1.756	10	20	CDCD	
COCCN1CCN(Cc2ccc(N(C)C)cc2)CC1	120890087	LNXFXYJRKQLXFH-UHFFFAOYSA-N	277.412	1.517	10	20	CDCD	
COC[C@@H](O)CCN[C@@H](C)c1ccc(C)cc1O	186203154	NHWORQDBNWOKHD-RYUDHWBXSA-N	253.342	1.749	10	20	CDCD	
C[C@@H]1CCN(C(=O)NCc2ccc(N(C)C)cc2)[C@H]1CO	191044773	ISVQPPZGOWBEMO-DOMZBBRYSA-N	291.395	1.665	10	20	CDCD	
COc1cccc(CN2CCNC(=O)[C@@H]2C(C)C)c1O	93055239	PTDWACWOOKWEGD-ZDUSSCGKSA-N	278.352	1.357	10	20	CDCD	
CCC[C@@H]1C(=O)NCCN1Cc1cccc(OCC)c1O	93771533	LPNSVOXGKYPJQU-CYBMUJFWSA-N	292.379	1.891	10	20	CDCD	
CCOc1cccc(CN[C@@H]2CCC(=O)N(C)C2=O)c1O	90023757	UNRWIGMZWINNFG-LLVKDONJSA-N	292.335	1.028	10	20	CDCD	
C[C@@H](NC[C@H]1CCN(S(C)(=O)=O)C1)c1ccccc1O	183628472	OFLQCWSQNIABOP-VXGBXAGGSA-N	298.408	1.324	10	20	CDCD	
Cc1nccn1CCCNC(=O)Cc1ccc(N)cc1	269244176	SOPGHOPZZNSAOS-UHFFFAOYSA-N	272.352	1.523	10	20	CDCD	
CO[C@H](C(=O)N(C)Cc1ccccc1O)c1cnn(C)c1	282926407	YCTIEABQWCUOMW-AWEZNQCLSA-N	289.335	1.472	10	20	CDCD	
C[C@H](NCc1cnnn1C)c1cc(F)cc(F)c1O	806660151	ROGIUVXJBKBQPB-ZETCQYMHSA-N	268.267	1.650	10	20	CDCD	
CC(C)[C@H](O)C(=O)N(C)Cc1ccc(N(C)C)cc1	291408621	GBZFJJHASHJSGR-AWEZNQCLSA-N	264.369	1.728	10	20	CDCD	
CC(=O)C(=O)CSc1nccn1Cc1ccccn1	808022704	PZEJETPYTBZMND-UHFFFAOYSA-N	275.333	1.577	10	20	CDCD	
COC[C@@H](NC[C@H](N)c1ccc(N(C)C)cc1)C1CC1	817943289	UAAQAAAWMZCITK-JKSUJKDBSA-N	277.412	1.767	10	20	CDCD	
O=C(N[C@H]1COc2ccccc2[C@@H]1O)c1cc(O)cs1	811575632	NVNSOTCEHGAGKX-GWCFXTLKSA-N	291.328	1.678	10	20	CDCD	
COC[C@H](NCCc1ccc(N)cc1)C1CCOCC1	817958805	YKYAPJHUKMTOEH-INIZCTEOSA-N	278.396	1.843	10	20	CDCD	
O=[N+]([O-])c1ccc(O)c(CNCCC2(CO)CC2)c1	825041041	ZPHFWMRYOBUFFB-UHFFFAOYSA-N	266.297	1.553	10	20	CDCD	
CCO[C@@H]1COC[C@H]1NCc1cccc(Cl)c1O	825196973	RMAKXHNGMUOUMJ-VXGBXAGGSA-N	271.744	1.939	10	20	CDCD	
CCN(Cc1cnn(C)c1)C(=O)c1cc(O)cs1	732275393	BKEOPERYLBYXES-UHFFFAOYSA-N	265.338	1.850	10	20	CDCD	
CCN(C)c1ccc(Cn2cc(COC)nn2)cc1	900550270	OWEWJQYNBQHXAF-UHFFFAOYSA-N	260.341	1.929	10	20	CDCD	
C[C@H]1CCC[C@@]1(O)CNC(=O)c1cc(O)cs1	832903971	GQZDBFOAIQYQQU-QPUJVOFHSA-N	255.339	1.735	10	20	CDCD	
NC(=O)c1cccc(CCNC(=O)c2cc(O)cs2)c1	732283269	UPCCNPKXZYUDBA-UHFFFAOYSA-N	290.344	1.525	10	20	CDCD	
CCON(CC)C(=O)/C=C\c1ccc(O)c(O)c1	831467514	PJJGLDPYNUOHSV-VURMDHGXSA-N	251.282	1.911	10	20	CDCD	
C[C@H]1CC[C@@H](CNCc2cc([N+](=O)[O-])ccc2O)O1	835086006	ASFNRTQCFVCWJC-CABZTGNLSA-N	266.297	1.958	10	20	CDCD	
CC[C@H](N)CNCc1ccc(N2CCOCC2)cc1	841070340	PPHOVEUQFQLSHW-AWEZNQCLSA-N	263.385	1.350	10	20	CDCD	
CN(C)c1ccc(CN[C@H](CCN)C(F)F)cc1F	841074932	SGYRADKAERDTPQ-LLVKDONJSA-N	275.318	1.964	10	20	CDCD	
CCc1nc(CN(C)c2ccc(OCC(=O)O)cc2)no1	846279820	MMQVAMILXIWMLD-UHFFFAOYSA-N	291.307	1.732	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C(C)(C)CO	847696115	LWFQOCGXFWIWLU-VIFPVBQESA-N	267.325	1.164	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N1CC[C@@H]2OCC[C@@H]2C1	843974836	CWBOTAJCLZQRTQ-XCIQGZDESA-N	289.331	1.748	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)[C@H](C)C(=O)O	842587579	FRMZTYNVBZFPCT-JTQLQIEISA-N	265.309	1.852	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H](C)C[C@@H](C)N)c1O	843129941	VBENRVGXXFJTRZ-BDAKNGLRSA-N	283.328	1.524	10	20	CDCD	
C[C@H](Cc1cnc[nH]1)C(=O)N(C)Cc1ccccc1O	847569624	GGDMOJBLYIMRRE-LLVKDONJSA-N	273.336	1.953	10	20	CDCD	
CNC(=S)N1CCN(c2ccc(OC)c(F)c2)CC1	753965050	ZDXQEUPXDQPYCN-UHFFFAOYSA-N	283.372	1.461	10	20	CDCD	
CCN(CCN)Cc1cccc(Br)c1O	863645583	ZEDIVOWZDKMSLX-UHFFFAOYSA-N	273.174	1.935	10	20	CDCD	
COc1cccc(O)c1CN(C)Cc1nnc2n1CCC2	768223616	JSMUALLIYVZFKO-UHFFFAOYSA-N	288.351	1.571	10	20	CDCD	
CCN(C)c1ccc(CN2CCn3ncnc3C2)cc1	773851923	AYCDWXIZONUROJ-UHFFFAOYSA-N	271.368	1.750	10	20	CDCD	
C[C@H](CNCc1cc(Cl)cc(F)c1O)S(C)(=O)=O	776252109	HSFJUONSEOVDNB-SSDOTTSWSA-N	295.763	1.707	10	20	CDCD	
c1nc2n(n1)CCN(Cc1ccc(N3CCOCC3)cc1)C2	770663409	BLEDIOKZMUEKBF-UHFFFAOYSA-N	299.378	1.131	10	20	CDCD	
COc1cccc(O)c1CN(C)C[C@@H]1CCC[C@@H]1O	770292671	OFFHJPKFARRJGN-AAEUAGOBSA-N	265.353	1.994	10	20	CDCD	
CN(C)c1ccc(CN2CCn3ncnc3C2)cc1	770664490	QUONDRFQRQHOOJ-UHFFFAOYSA-N	257.341	1.360	10	20	CDCD	
O=C(OCc1noc(C2CC2)n1)c1cccc(O)c1O	776282755	XLRMKPCTZQEKIB-UHFFFAOYSA-N	276.248	1.715	10	20	CDCD	
CCS(=O)(=O)CCCNCc1cc(F)cc(F)c1O	883146416	MJPLSJXFQCXGQK-UHFFFAOYSA-N	293.335	1.585	10	20	CDCD	
CCOCC(=O)NCCNCc1ccc(OC)c(C)c1	1122972603	DNSHDDAGMYQMCF-UHFFFAOYSA-N	280.368	1.246	10	20	CDCD	
CCn1cc(/C=C2\SC(N3CCCCC3)=NC2=O)nn1	899341963	NRSPEZDYIBDFJF-FLIBITNWSA-N	291.380	1.754	10	20	CDCD	
CNC(=O)[C@@H]1CCC[C@@H]1N[C@@H](C)c1ccccc1O	783524606	HZXSMKDXOCBJSL-UHTWSYAYSA-N	262.353	1.958	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)CC2OCCO2)c1	793689969	QXZZLHQFRVRUKB-SECBINFHSA-N	281.308	1.341	10	20	CDCD	
COc1ccc(CNC(=O)c2cnn3cccnc23)c(O)c1	794389035	HOMDVCUOEZXBDJ-UHFFFAOYSA-N	298.302	1.374	10	20	CDCD	
COc1ccc(O)c(CNC(=O)CC2(OC)CCC2)c1	790788139	SBGJWHZRXLRROI-UHFFFAOYSA-N	279.336	1.976	10	20	CDCD	
COc1ccc(CNc2cc(C)nc(CO)n2)c(O)c1	1323174993	QFGUZJYDTVYTSR-UHFFFAOYSA-N	275.308	1.604	10	20	CDCD	
CC[C@H](NCc1cc(Cl)c(C)cc1O)C(=O)NC	1328758501	HBNUGCLPCXWSEW-NSHDSACASA-N	270.760	1.968	10	20	CDCD	
CN1C[C@@H](COC(=O)/C=C\c2ccc(O)c(O)c2)OC1=O	1324492685	YPSZGNXHNKQWDZ-ATPLWMGHSA-N	293.275	1.105	10	20	CDCD	
C[C@](O)(CNCc1cc(F)cc(F)c1O)C1CC1	708437195	PRDVNVNGESMKAV-ZDUSSCGKSA-N	257.280	1.921	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC[C@@H]2CCC(=O)N2)c1	79927554	OPVOCYVOVFJCHU-ZJUUUORDSA-N	264.325	1.330	10	20	CDCD	
CN[C@@H](C)CCNC(=O)N(C)Cc1ccccc1O	1328725107	LPLHKWYOZWZOAC-NSHDSACASA-N	265.357	1.532	10	20	CDCD	
O=C1NCC2(CCN(Cc3cc(F)cc(F)c3O)CC2)O1	1333733708	WXGWVEMOXLIWNS-UHFFFAOYSA-N	298.289	1.745	10	20	CDCD	
CCN(CC)c1ccc(CN[C@@H](CCO)C(=O)O)cc1	1339254039	FRAFRSRDFFZRKE-AWEZNQCLSA-N	280.368	1.458	10	20	CDCD	
COCC[C@@](C)(O)CNCc1ccc(OC)c(OC)c1O	1262361528	PUJRLYBVROBTGE-OAHLLOKOSA-N	299.367	1.287	10	20	CDCD	
C[C@H](NC(=O)C(=O)N(C)Cc1ccccc1O)C1CCC1	1346405108	RMVRYKGRUQGXCQ-NSHDSACASA-N	290.363	1.655	10	20	CDCD	
CC1=NO[C@](C)(C(=O)NCc2ccc(O)c(O)c2)C1	1358046677	QGLUCANKTOQVEL-ZDUSSCGKSA-N	264.281	1.269	10	20	CDCD	
Cc1cc(C)n(CCC(=O)NCc2cccc(O)c2O)n1	1352658876	YXPGQALEBRRXTA-UHFFFAOYSA-N	289.335	1.618	10	20	CDCD	
O=S(=O)(NCc1ccccc1O)c1cccnc1	158584486	HLFNSMSKXJTDIY-UHFFFAOYSA-N	264.306	1.266	10	20	CDCD	
CCCS(=O)(=O)CCN(C)c1ccc(OC)cc1	844353305	LZYRSMNACQWOAL-UHFFFAOYSA-N	271.382	1.956	10	20	CDCD	
CCCCCS(=O)(=O)CC(=O)N(C)c1ccc(N)cc1	232951997	SDPUADNLEXLSFS-UHFFFAOYSA-N	298.408	1.837	10	20	CDCD	
Nc1ccc(CN(C2CC2)[C@H]2CCS(=O)(=O)C2)cc1	38084956	KLYLTQIDLDWSGQ-AWEZNQCLSA-N	280.393	1.420	10	20	CDCD	
COCCOCCN(C)Cc1cc2c(cc1O)OCO2	288711067	VGMFIVKWVDONSB-UHFFFAOYSA-N	283.324	1.216	10	20	CDCD	
COc1ccc(CN[C@H]2CCN(S(C)(=O)=O)C2)cc1C	400149490	AUPPRQSYOKTQJK-ZDUSSCGKSA-N	298.408	1.127	10	20	CDCD	
CC(C)N(CC(=O)O)Cc1cc(F)cc(F)c1O	708074339	ANHWFHVPRQRPKF-UHFFFAOYSA-N	259.252	1.965	10	20	CDCD	
OC[C@H](CC(F)F)NCc1cc2c(cc1O)OCO2	717812488	VZONPIRCESFNJM-QMMMGPOBSA-N	275.251	1.227	10	20	CDCD	
COc1ccc(O)c([C@H](C)N[C@H]2COC[C@@H]2OC)c1	290022632	CJVGDUOKCVJHBI-WFBYXXMGSA-N	267.325	1.465	10	20	CDCD	
CNC[C@@H](C)C(=O)NCc1ccc(N2CCCC2)cc1	178710946	GCQNYOUCYHUJSL-CYBMUJFWSA-N	275.396	1.759	10	20	CDCD	
COC[C@H](O)CCNCc1ccc2c(c1)CCO2	153762962	JJBUOQVGOXVJES-CYBMUJFWSA-N	251.326	1.109	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)[C@H]1CCCOC1	156643143	GUUUATDQYMVPHA-NSHDSACASA-N	265.309	1.183	10	20	CDCD	
C[C@@H](O)CN(C)C(=O)NCc1ccc2c(c1)CCCN2C	91215529	JPTNGVMEPNKSBV-GFCCVEGCSA-N	291.395	1.591	10	20	CDCD	
CNC(=O)[C@@H](C)CN(C)Cc1cc(C)c(C)cc1O	93899020	YDXALPJZYHLQJO-LBPRGKRZSA-N	264.369	1.823	10	20	CDCD	
C[C@@H](NC(=O)C(C)(C)C)C(=O)NCc1ccc(N)cc1	297140982	ICWADOSGUCRBHD-SNVBAGLBSA-N	277.368	1.436	10	20	CDCD	
C[C@@H]1CN(Cc2ccc(N(C)C)cc2)C[C@@H](CO)O1	248866186	AZTOQVPGTOTCIE-DOMZBBRYSA-N	264.369	1.334	10	20	CDCD	
CS(=O)(=O)NC[C@H]1CCCN(Cc2ccccc2O)C1	269442308	GBEUPKKMHJQHLD-GFCCVEGCSA-N	298.408	1.153	10	20	CDCD	
Cc1ccc(C(=O)N[C@H](C)CO[C@@H]2CCOC2)c(O)c1O	272719843	HBYOQHCKZYUEFR-GHMZBOCLSA-N	295.335	1.330	10	20	CDCD	
CNS(=O)(=O)C1CCN(Cc2cccc(C)c2O)CC1	271762061	YWWGTVNOIZXELV-UHFFFAOYSA-N	298.408	1.214	10	20	CDCD	
CCO[C@@H]1C[C@@H](NC(=O)c2cccc(O)c2O)[C@@H]1OC	280400170	GYFDPQUMNORHQQ-XWIASGKRSA-N	281.308	1.020	10	20	CDCD	
COc1ccc(O)c([C@H](C)N[C@@H](C)C(=O)NCCF)c1	282963847	ZULVUCIBSJRPPO-UWVGGRQHSA-N	284.331	1.526	10	20	CDCD	
O=C(NCc1ccccc1O)N[C@@H]1CCN2CCCC[C@@H]12	299546565	WLRZPGNSSLTWNK-KGLIPLIRSA-N	289.379	1.818	10	20	CDCD	
Cc1cccc(CNc2cccc(NC(=O)C(N)=O)c2)c1O	802656248	MTPVVWDWMHAKGY-UHFFFAOYSA-N	299.330	1.737	10	20	CDCD	
C[C@@H](NC(=O)NOCC(C)(C)O)c1ccc(N(C)C)cc1	824506246	UDVYAPHZNPCHDP-LLVKDONJSA-N	295.383	1.815	10	20	CDCD	
Cn1cc(CNC(=O)NCc2ccccc2O)cn1	726235919	AGINFBLVLWRXCG-UHFFFAOYSA-N	260.297	1.125	10	20	CDCD	
Cc1cc(O)c(CN2CC[C@@H](C(N)=O)C2)cc1Cl	824484445	HOIUWHOCYPWFJT-SECBINFHSA-N	268.744	1.661	10	20	CDCD	
CCC[C@H](OC)C(=O)NCc1ccc(O)c(O)c1	827316892	KVEZWECWSVRWQJ-LBPRGKRZSA-N	253.298	1.529	10	20	CDCD	
CCC(=O)C1(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)CC1	828884513	DUIXTYUZNYGDMA-SNVBAGLBSA-N	291.347	1.904	10	20	CDCD	
C[C@@H](NC(=O)[C@@H]1CCCc2nn[nH]c21)c1ccccc1O	827952449	SRLRIQSPXVMNDN-MWLCHTKSSA-N	286.335	1.808	10	20	CDCD	
COC[C@H](CO)NCc1cc(Cl)c(C)cc1O	825750009	ZOQOAEMSFPGCDU-JTQLQIEISA-N	259.733	1.451	10	20	CDCD	
O=C(Cn1cc(C2CC2)cn1)NCc1ccc(O)c(O)c1	830559504	PDNIVICGSYYLAT-UHFFFAOYSA-N	287.319	1.488	10	20	CDCD	
O=C(O)/C=C/c1ccc(N2CC[C@H](CO)C2)c([N+](=O)[O-])c1	739626931	WCABDQGHRHDYJV-FWEMWIAWSA-N	292.291	1.511	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)[C@H]1CC1(Cl)Cl	910951980	NOORIJUHPHGYGD-MRVPVSSYSA-N	276.119	1.908	10	20	CDCD	
CC[C@@H](NC(=O)NCCc1ccc(N)cc1)[C@H](C)O	841955668	JLXHSCYKGLWUHH-GXFFZTMASA-N	265.357	1.270	10	20	CDCD	
COc1ccc(CNC(=O)C[C@@H]2CCC(=O)N2C)c(O)c1	846950875	RYZPBOAZVJEXMJ-NSHDSACASA-N	292.335	1.028	10	20	CDCD	
Nc1ccc(CCNC(=O)C[C@@H](N)Cc2ccccc2)cc1	841848148	XOWNFYZDUYFUCI-KRWDZBQOSA-N	297.402	1.888	10	20	CDCD	
CCc1cccc(CN[C@@H]2CCCN(CCCO)C2)c1O	848913736	COQHYGAMUZFTKN-MRXNPFEDSA-N	292.423	1.891	10	20	CDCD	
NC(=O)NCCCCc1nc(Cc2ccc(N)cc2)no1	843159322	PBHKYJQYJULUCP-UHFFFAOYSA-N	289.339	1.234	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@H](C)C(=O)O)c1	841768546	NJNVIBFOYLIXCD-JGVFFNPUSA-N	267.281	1.299	10	20	CDCD	
CCN1C[C@@H](CN[C@H](C)c2cc(OC)ccc2O)CC1=O	846095596	BNEJDYXBYWYZBV-VXGBXAGGSA-N	292.379	1.920	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@@H]2OCC[C@@H]2C1	843974833	CWBOTAJCLZQRTQ-GRYLXXLRSA-N	289.331	1.748	10	20	CDCD	
C[C@H](NC[C@H](O)Cn1ccnn1)c1cc(Cl)ccc1O	840805060	LNJSIUJGOFEQDV-ONGXEEELSA-N	296.758	1.349	10	20	CDCD	
CSCCONC(=O)NCc1cc(C)ccc1O	858413315	HMULWYACWCVNCE-UHFFFAOYSA-N	270.354	1.794	10	20	CDCD	
CCCn1nccc1/C=C1/SC(=S)NC1=O	853000952	ITPZOCRDMBYUKZ-SOFGYWHQSA-N	253.352	1.782	10	20	CDCD	
CN(C)c1cc(F)c(CNCCn2cncn2)cc1F	858112400	LJUMJFIHQNQCMQ-UHFFFAOYSA-N	281.310	1.412	10	20	CDCD	
Fc1cc(CNCCN2CCC2)ccc1N1CCOCC1	752100034	FNWGILPTMUQEEI-UHFFFAOYSA-N	293.386	1.458	10	20	CDCD	
Cc1ccc(C(=O)OC[C@H]2COC(=O)O2)c(O)c1O	763954246	FHYGCBCKQHWWGM-ZETCQYMHSA-N	268.221	1.098	10	20	CDCD	
COC(=O)c1coc(/C=C2/SC(=S)NC2=O)c1	763171292	PJBKEASSHBJVEK-XVNBXDOJSA-N	269.303	1.555	10	20	CDCD	
COc1ccc(N2CCN(CC(C)(C)N)CC2)c(OC)c1	873218904	BKFIKDMGYIDYMF-UHFFFAOYSA-N	293.411	1.563	10	20	CDCD	
CCC(=O)N[C@@H](C)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	773024562	LUVZEOXBLMQLGQ-NEPJUHHUSA-N	291.395	1.845	10	20	CDCD	
COCCO[C@@H]1COCC[C@H]1NCc1cc(F)ccc1O	777219962	OKQSCXRECSWQDR-UKRRQHHQSA-N	299.342	1.441	10	20	CDCD	
CCNCc1cn(Cc2ccc(N(C)C)c(C)c2)nn1	881378580	PUWYBKLKXQBGQY-UHFFFAOYSA-N	273.384	1.810	10	20	CDCD	
C[C@H]1CN(C[C@@H](C)O)CCN1Cc1ccc(N)cc1	1120269340	QEERJKOBGSJKPD-QWHCGFSZSA-N	263.385	1.156	10	20	CDCD	
COc1ccc(CN[C@@H]2CN(C(C)=O)C[C@@H]2C)cc1C	1054305896	PQLKWRXRNJEORN-SWLSCSKDSA-N	276.380	1.960	10	20	CDCD	
CCn1nccc1C(=O)NCc1ccc(OC)cc1O	794390785	QWVDMYANGQOCNR-UHFFFAOYSA-N	275.308	1.547	10	20	CDCD	
COc1ccc(CNC(=O)NCc2nc(C)no2)c(O)c1	792969187	KMSNAXQQSUGVHI-UHFFFAOYSA-N	292.295	1.092	10	20	CDCD	
CS(=O)(=O)C1(CNCc2cc(F)ccc2O)CCC1	279923061	XOAIEMCIVCZKNL-UHFFFAOYSA-N	287.356	1.588	10	20	CDCD	
Cc1ccc([C@@H](C)NCc2nnnn2C2CC2)c(O)c1	756734164	VDZJIOIEZIECDE-SNVBAGLBSA-N	273.340	1.873	10	20	CDCD	
O=C(N[C@@H](CO)CC(F)(F)F)c1cccc(O)c1O	717759378	MMHZPBNHUYIIIM-ZCFIWIBFSA-N	279.214	1.141	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NC[C@H]2C[C@@H](N)C2)cc1	1337839904	ADFJLISVSDLNNQ-BETUJISGSA-N	276.384	1.289	10	20	CDCD	
CCc1nc(CNC(=O)NCc2ccc(N)cc2)co1	1336106698	CIVMIZOCEYLJBT-UHFFFAOYSA-N	274.324	1.819	10	20	CDCD	
CC(=O)c1cc(F)cc(Cn2cc(C[C@@H](C)O)nn2)c1O	1330769510	SUQVPPGTYLKOHP-MRVPVSSYSA-N	293.298	1.297	10	20	CDCD	
CCC1(CNC(=O)NCc2ccc(N)cc2)COC1	1336238527	DYURXTFIBJMCKA-UHFFFAOYSA-N	263.341	1.495	10	20	CDCD	
O=C(NCc1c(O)ccc2c1CCCC2)C12CC(CN1)C2	1341847370	SXULITGVDVUXIE-UHFFFAOYSA-N	286.375	1.639	10	20	CDCD	
CCN(CC)c1ccc(CN(C)C(=O)CON)cc1	1521415349	SXJPWHHIAXXYTP-UHFFFAOYSA-N	265.357	1.382	10	20	CDCD	
O=C(O)c1cnc(SC[C@@H]2CCOCO2)s1	1608979385	YBCMIZZPYSXLKW-LURJTMIESA-N	261.324	1.696	10	20	CDCD	
O=C(O)[C@@H]1CCC[C@H]1NCc1cc(F)ccc1O	1601807978	JPLXZSCGAPGRBT-GHMZBOCLSA-N	253.273	1.874	10	20	CDCD	
C[C@H](NC[C@@](C)(O)C(=O)O)c1ccc(N(C)C)cc1	1604331590	CPJYHDMTCZPYDH-IINYFYTJSA-N	266.341	1.239	10	20	CDCD	
O=C(O)CN(Cc1cnon1)Cc1cc(Cl)ccc1O	1602060316	KYBLSZDOVOSAMT-UHFFFAOYSA-N	297.698	1.515	10	20	CDCD	
COC(=O)C(=O)[C@@H](C)Sc1ncc(C(=O)O)s1	1610149608	KFJJGBKTQATYRU-SCSAIBSYSA-N	275.307	1.064	10	20	CDCD	
Cc1c(O)c(C(=O)O)cc2c1C(=O)c1c(O)cccc1C2=O	1504000398	YKISYDZIAJHSTM-UHFFFAOYSA-N	298.250	1.880	10	20	CDCD	
CN(C)c1cncc(NC(=O)Cc2ccc(N)cc2)c1	1578428614	BVGGCDZOFHNXND-UHFFFAOYSA-N	270.336	1.911	10	20	CDCD	
COc1ccc(CNC(=O)[C@H]2CC[C@@H](C(=O)O)C2)c(O)c1	1594094272	FCCRUTVZSROZDG-VHSXEESVSA-N	293.319	1.518	10	20	CDCD	
CN(C)c1ccc(CNCC[C@H](F)C(=O)O)cc1	1777040019	DSWGMNYXFUMRDT-LBPRGKRZSA-N	254.305	1.655	10	20	CDCD	
CO[C@@H]1CN(Cc2ccc(N(C)C)cc2)CC[C@H]1C(=O)O	1777173145	RNXVLWKIQBELNE-HUUCEWRRSA-N	292.379	1.674	10	20	CDCD	
COc1ccc(N2CCN(C(=O)[C@H](N)C(C)C)CC2)cc1	19516623	JCLIPRILAXBIRV-OAHLLOKOSA-N	291.395	1.327	10	20	CDCD	
COc1cc(O)c(CN(C)[C@@H]2CCOC2)cc1OC	160161617	XLVMXRWIPTUQHV-LLVKDONJSA-N	267.325	1.630	10	20	CDCD	
CCONC(=O)N1CCN(c2ccc(OC)c(F)c2)CC1	154539417	NJVXJDXFPRCKBE-UHFFFAOYSA-N	297.330	1.617	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NCC[C@H]2CCNC2=O)c1	846843775	HBPXTILCGFCXLC-MNOVXSKESA-N	278.352	1.578	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@H]2NCCC2(C)C)cc1	852855617	KQEDOIMFHCRULU-AWEZNQCLSA-N	275.396	1.757	10	20	CDCD	
Cc1cc(CN(C)C(=O)Cc2ccc(N)cc2)no1	36196052	WATVCJOBGSJSTF-UHFFFAOYSA-N	259.309	1.766	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCCN1	37497466	OAWHHBPNBGLOGS-AWEZNQCLSA-N	261.369	1.463	10	20	CDCD	
COCC[C@H](CO)N[C@@H](C)c1ccc(N(C)C)cc1	281524104	HVBIELBKWZEIII-GXTWGEPZSA-N	266.385	1.801	10	20	CDCD	
COc1cccc(CNC[C@@H](C)CCCO)c1O	294821381	OXHBTYPSXYHLRG-NSHDSACASA-N	253.342	1.899	10	20	CDCD	
CCOC(=O)[C@H]1CNCCN1Cc1cc(Cl)ccc1O	88657951	ACUAUZFCGYWCCC-GFCCVEGCSA-N	298.770	1.383	10	20	CDCD	
COC[C@@H](O)CNCc1cc(Br)ccc1O	117946237	ONRWGKBCXGHEGD-JTQLQIEISA-N	290.157	1.252	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)CNC(C)=O	170732122	QOIJZSWBPKZUNW-UHFFFAOYSA-N	264.325	1.267	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1csnn1	173189498	MIBVZWTULXZFPW-UHFFFAOYSA-N	290.348	1.643	10	20	CDCD	
CCCOc1ccc(CNC[C@@H](O)COC)c(O)c1	117946865	YGFAIJUHFJYRFO-GFCCVEGCSA-N	269.341	1.278	10	20	CDCD	
Oc1cc2c(cc1CN[C@@H]1CCN3CCC[C@@H]3C1)OCO2	112017221	IKDXCZYCSUBXDV-CHWSQXEVSA-N	290.363	1.837	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2oc(C)nc2C)c1	175234467	SOQQDGAIFGKFFN-UHFFFAOYSA-N	276.292	1.936	10	20	CDCD	
CC[C@]1(CO)CCCN1C(=O)c1ccc(C)c(O)c1O	189248034	ZEUGQMGGUKVWIF-OAHLLOKOSA-N	279.336	1.783	10	20	CDCD	
CC(=O)CCC(=O)NCc1ccc(N(C)C)c(F)c1	195116650	HOQBRWGHUZGLRL-UHFFFAOYSA-N	266.316	1.877	10	20	CDCD	
C[C@@H]([C@H](C)S(C)(=O)=O)N(C)Cc1ccccc1O	179575603	JXYBWWVDSSJGOM-QWRGUYRKSA-N	271.382	1.646	10	20	CDCD	
CCN(C[C@@H]1CCCO1)C(=O)Cc1ccc(N)cc1	48952346	SOVMRHSFCPOYGJ-AWEZNQCLSA-N	262.353	1.839	10	20	CDCD	
COc1cccc(CNC(=O)[C@H]2CCCN2C(C)=O)c1O	269195992	PWNKMUCESKWZIZ-GFCCVEGCSA-N	292.335	1.028	10	20	CDCD	
CC1CCN(c2ccc(CNC(=O)[C@@H](C)O)cc2)CC1	276566285	SNZKOVULEFADRV-CYBMUJFWSA-N	276.380	1.920	10	20	CDCD	
C[C@H](NC[C@@H](O)C1CCOCC1)c1ccc(F)cc1O	273345760	APUUPIOWNXCXLG-ZUZCIYMTSA-N	283.343	1.969	10	20	CDCD	
CCCCOC(=O)CNC(=O)/C=C/c1ccc(O)c(O)c1	272402954	IDXMAGFVBCQOJN-FNORWQNLSA-N	293.319	1.571	10	20	CDCD	
COCC(=O)CSc1ncc(C(=O)OC)s1	295268764	JJQQGCQFYWJKOF-UHFFFAOYSA-N	261.324	1.237	10	20	CDCD	
CCCCN(Cc1ccccc1O)C(=O)[C@H](C)O	282529542	QHHBWIFMSWMCMJ-NSHDSACASA-N	251.326	1.902	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)C[C@H]1CCC(=O)N1	816914360	NYPYUZDRYUHOBW-CYBMUJFWSA-N	290.363	1.800	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)NCC(F)(F)CN)c1	817966419	NJRNRQCWYNWJRF-MRVPVSSYSA-N	288.294	1.423	10	20	CDCD	
NC(=O)N[C@H]1CCN(Cc2ccc3ccccc3c2O)C1	816521519	RIPZNMNXTUGWNY-ZDUSSCGKSA-N	285.347	1.788	10	20	CDCD	
CCCN1C[C@H](CNC(=O)c2cccc(O)c2O)CC1=O	817622262	OVGFOEKPAGYYDI-JTQLQIEISA-N	292.335	1.086	10	20	CDCD	
CCC[C@@H](OC)C(=O)NCc1ccc(O)c(O)c1	827316891	KVEZWECWSVRWQJ-GFCCVEGCSA-N	253.298	1.529	10	20	CDCD	
CCN(C)c1ccc(Cn2cnc(C(=O)O)n2)cc1	829618351	ADLZBEICSQKVLW-UHFFFAOYSA-N	260.297	1.481	10	20	CDCD	
COCC(C)(C)NC(=O)/C=C\c1ccc(O)c(O)c1	588408251	XHABIEUXPIBWKV-ALCCZGGFSA-N	265.309	1.652	10	20	CDCD	
NC(=O)[C@H](OC(=O)c1cc(O)cs1)c1ccc(F)cc1	732352734	DMNUEEYIILWWIU-LLVKDONJSA-N	295.291	1.976	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@@H]1[C@@H]2CCC(=O)[C@H]21	906991302	MEINENQIWOHGRE-DDTOSNHZSA-N	259.305	1.576	10	20	CDCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)CN(C)C	839918868	OAGLVDHAMGEXAY-CYBMUJFWSA-N	277.412	1.670	10	20	CDCD	
CCN1C(=O)/C(=C\c2c(C)nnn2CC)SC1=S	834398518	MBJLLMHGBGQWFI-RMKNXTFCSA-N	282.394	1.828	10	20	CDCD	
CO[C@@H]1COC[C@H]1NCc1cc(F)cc(C(C)=O)c1O	830085543	INCYDOSAFWQPHV-CHWSQXEVSA-N	283.299	1.237	10	20	CDCD	
Cc1ccc(C(=O)OC[C@@H]2CCNC(=O)CC2)c(O)c1O	837485784	RYXXLXXCQDRBSV-JTQLQIEISA-N	293.319	1.479	10	20	CDCD	
CCn1nnc(C)c1COC(=O)c1ccc(C)c(O)c1O	837490460	UMALGYNYOHCPFP-UHFFFAOYSA-N	291.307	1.683	10	20	CDCD	
CCOc1ccc(O)c(CNCC2(N(C)C)CC2)c1	841892326	XQGXZUUONKIZKB-UHFFFAOYSA-N	264.369	1.975	10	20	CDCD	
C[C@@H](CC(=O)NCc1ccc(O)cc1O)c1cnn(C)c1	910945007	SAKDLILAMNYHQB-JTQLQIEISA-N	289.335	1.641	10	20	CDCD	
CC(=O)N[C@H](CC(C)C)C(=O)NCc1ccc(O)cc1O	910956611	LJAUTLRRHXPBES-CYBMUJFWSA-N	294.351	1.265	10	20	CDCD	
COc1ccc(O)c(CNC[C@]2(C)CCCNC2)c1	841056411	GRGFZYIKPUFCND-OAHLLOKOSA-N	264.369	1.880	10	20	CDCD	
NC[C@@H](NCc1cccc(Br)c1O)C1CC1	841028209	LXKGEZMNTZTGRI-LLVKDONJSA-N	285.185	1.982	10	20	CDCD	
CCCN1CC(=O)N[C@@H]1c1cc(OCC)ccc1O	840821888	HIBWJPMTTRAJRI-AWEZNQCLSA-N	264.325	1.631	10	20	CDCD	
C[C@@H](CCN)NCc1cccc(Br)c1O	841051043	MWOVRYPHJNBPIT-QMMMGPOBSA-N	273.174	1.982	10	20	CDCD	
COc1cccc([C@H](C)NCCCc2cnn(C)n2)c1O	846169841	KLEUEZDMNDMIKM-NSHDSACASA-N	290.367	1.813	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@H]2CCN[C@H](C)C2)c1O	841062297	IUCMPKHLNYWOGL-KOLCDFICSA-N	295.339	1.539	10	20	CDCD	
COC(=O)[C@@H]1CC[C@H](NC(=O)c2cccc(O)c2O)C1	926489008	AHDDNSPUCLMVHC-BDAKNGLRSA-N	279.292	1.169	10	20	CDCD	
C[C@@H](NC(=O)NC[C@@H]1COCO1)c1ccccc1O	923839312	OQRQXRJSKUMTHJ-NXEZZACHSA-N	266.297	1.125	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)CCCC(=O)O)c1	843328539	IKVAZOQAQRRZNL-SECBINFHSA-N	281.308	1.833	10	20	CDCD	
COc1ccc(N2CC[C@H](N[C@@H]3CCCNC3)C2)cc1	849349527	CCJCSCGVXLPBOG-KGLIPLIRSA-N	275.396	1.616	10	20	CDCD	
CCOc1cccc(CNCC[C@@]2(O)CCCOC2)c1O	846109925	KTTDWHRJENSZOA-INIZCTEOSA-N	295.379	1.812	10	20	CDCD	
C[C@H](O)[C@H](O)CN(C)Cc1ccc(N2CCCCC2)cc1	929185627	WFJWGUSJQUSOOS-WMLDXEAASA-N	292.423	1.850	10	20	CDCD	
CNC[C@H](C)NCc1cccc(Br)c1O	853248854	KYEBGYBCXUPKTD-QMMMGPOBSA-N	273.174	1.852	10	20	CDCD	
COc1ccc(N(C)CCN(C)CC[N+](=O)[O-])cc1	930853025	PSMXUGLPUPJIBI-UHFFFAOYSA-N	267.329	1.340	10	20	CDCD	
CC(=O)c1cc(F)cc(CN[C@H]2COC[C@H]2C)c1O	932495798	HNVYZZLIDRXMGL-OQPBUACISA-N	267.300	1.858	10	20	CDCD	
CS[C@H]1CN(C(=O)c2cc(O)cs2)C[C@H]1N(C)C	765273774	XOVOIZOMSDJQKB-KOLCDFICSA-N	286.422	1.571	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@@]2(O)CCSC2)c1	765863023	GHFNKFNPNRVKPU-YMTOWFKASA-N	297.376	1.446	10	20	CDCD	
CCN(Cc1ccc(C)cc1O)[C@@H]1CCS(=O)(=O)C1	876533119	FZEFSSJIKHHHJN-CYBMUJFWSA-N	283.393	1.710	10	20	CDCD	
Cc1ccc(O)c(CN2CCC(C(=O)NCCO)CC2)c1	768319990	OUYKWPSFUGJPJT-UHFFFAOYSA-N	292.379	1.021	10	20	CDCD	
CCOC(=O)C1=NN(c2cccc(C(=O)O)c2)C(=O)[C@@H]1C	871948744	BCJKBAUZZSTZBG-MRVPVSSYSA-N	290.275	1.287	10	20	CDCD	
COCCOC1CN(Cc2cc(OC)ccc2O)C1	779432254	QCVBNFHWCSFYKY-UHFFFAOYSA-N	267.325	1.248	10	20	CDCD	
CN(C)CCOC1CCN(Cc2ccccc2O)CC1	770509519	CABHLXCPEOOONR-UHFFFAOYSA-N	278.396	1.935	10	20	CDCD	
O=C(COC(=O)c1cccc(O)c1O)NC1CCCC1	776281281	AZKLYKCSYBTNIP-UHFFFAOYSA-N	279.292	1.313	10	20	CDCD	
O=C(NCc1nc(C2CC2)n[nH]1)c1cc(O)cs1	1118705413	QCVLHWPHBTVEGV-UHFFFAOYSA-N	264.310	1.379	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NS(=O)(=O)NC(C)C)c1	778628162	UQMCHOTVKAUYDQ-SECBINFHSA-N	288.369	1.294	10	20	CDCD	
C[C@H](O)[C@@H]1CCN(C(=O)NCc2ccc(N)cc2)C1	1120591948	NMAKKOMESCKDOT-CMPLNLGQSA-N	263.341	1.181	10	20	CDCD	
C[C@H](NCCCS(C)(=O)=O)c1c(O)cccc1F	886522491	KIAPPOXGSHQMNO-VIFPVBQESA-N	275.345	1.617	10	20	CDCD	
CNS(=O)(=O)CCCN[C@@H](C)c1c(O)cccc1F	886645240	USVMXTSZPDJIGN-VIFPVBQESA-N	290.360	1.121	10	20	CDCD	
CC(=O)N1CC[C@@H](N[C@@H](C)c2c(O)cccc2F)C1	886639674	JHKUZCKVHDZKSK-GXSJLCMTSA-N	266.316	1.803	10	20	CDCD	
CCN(CC)c1ccc(CN(C)C(=O)[C@H](C)O)cc1	786707275	IWCKUMVYLGNBMB-LBPRGKRZSA-N	264.369	1.872	10	20	CDCD	
COc1cccc(O)c1CN1CC[C@@H](O)C(C)(C)C1	783729488	NDZUSLPRMSRMTQ-CQSZACIVSA-N	265.353	1.994	10	20	CDCD	
CNC(=O)C1CCN(C(=O)c2ccc(C)c(O)c2O)CC1	780863374	SJEBNVPVJYJHIL-UHFFFAOYSA-N	292.335	1.004	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H](C)C[C@H](C)O)c(O)c1O	783631211	MXQCFBWMTYCJJX-IUCAKERBSA-N	253.298	1.295	10	20	CDCD	
COc1cccc(CN[C@@H]2C(=O)NCC2(C)C)c1O	895316075	HYOZNIYTSUJRAS-GFCCVEGCSA-N	264.325	1.015	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)COC(F)F	796501930	GRCOFBCAPFZOAE-UHFFFAOYSA-N	272.295	1.916	10	20	CDCD	
CCN(C)C(=O)CN[C@H](C)c1ccc(C)cc1O	186806702	ZBMQOGNLMHEKQD-LLVKDONJSA-N	250.342	1.830	10	20	CDCD	
CC[C@H](C)NC(=O)CN(C)Cc1ccccc1O	171937068	TVKRLTJQHSEFIG-NSHDSACASA-N	250.342	1.739	10	20	CDCD	
Cc1c(NC(=O)N[C@H](C)c2ccccc2O)nnn1C	1330706776	VINYYAASNBPHFG-MRVPVSSYSA-N	275.312	1.712	10	20	CDCD	
O=C(CO[C@@H]1CCOC1)Nc1c(Cl)ccc2nonc12	1261140374	QDPOHWBFVUOMNP-SSDOTTSWSA-N	297.698	1.620	10	20	CDCD	
O=C(NCc1cccc(O)c1O)[C@@H]1CCn2cncc2C1	1347541728	HHKSLNQFARZWJT-SNVBAGLBSA-N	287.319	1.173	10	20	CDCD	
C[C@H]1Cn2nc(C(=O)NCc3ccccc3O)cc2CN1	1340955564	CHOMMVOZOGGQKD-JTQLQIEISA-N	286.335	1.010	10	20	CDCD	
O=C(O)[C@@H]1CCCC[C@@H]1NCc1cc2c(cc1O)OCO2	1608802567	KPDOZYFMMVRVKY-MNOVXSKESA-N	293.319	1.854	10	20	CDCD	
Cc1cc(O)c(CNCC2[C@@H]3CNC[C@@H]23)cc1Cl	1579638331	XDCBROFXHDYSME-RYUDHWBXSA-N	266.772	1.909	10	20	CDCD	
Cc1nnc2n1CCN(C(=O)Cc1ccc(N)cc1)[C@@H]2C	1579914739	QHMXBJDEYQNTRL-SNVBAGLBSA-N	285.351	1.315	10	20	CDCD	
COCCCCC(=O)NCCc1ccc(O)c(O)c1	156622753	HPDUPTGVACLWLO-UHFFFAOYSA-N	267.325	1.573	10	20	CDCD	
CCN1CCN(Cc2cc(OC)ccc2O)[C@H](C)C1	809698081	VNDGMDROKGHLBV-GFCCVEGCSA-N	264.369	1.927	10	20	CDCD	
C[C@@H](NC(=O)CN1CCCC1=O)c1ccccc1O	827922973	GACWSFSRAPRDTQ-SNVBAGLBSA-N	262.309	1.192	10	20	CDCD	
COc1cccc(CN2CC[C@H](C(=O)N(C)C)C2)c1O	840957573	KXMQWPBCUAGHQE-LBPRGKRZSA-N	278.352	1.311	10	20	CDCD	
CO[C@@]1(C(=O)O)CCN(Cc2ccc(C)cc2O)C1	1599079143	OHKMBDAMLVUDKT-AWEZNQCLSA-N	265.309	1.376	10	20	CDCD	
COc1ccc(O)c([C@@H](C)N[C@@H](C)C(=O)NC(C)C)c1	228930244	OFNGBIHDBFKCBL-MNOVXSKESA-N	280.368	1.965	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC[C@]2(O)CCSC2)c1	185638655	KOMBBFOKVMFHOA-QMTHXVAHSA-N	283.393	1.919	10	20	CDCD	
CCn1cc(CN[C@@H](C)c2cc(OC)ccc2O)nn1	404467480	NEZGFILVFHJYOD-JTQLQIEISA-N	276.340	1.863	10	20	CDCD	
Cn1ncc(CN2CCCc3cc(CN)ccc32)n1	700925830	WTKWSUSQISPFFW-UHFFFAOYSA-N	257.341	1.227	10	20	CDCD	
C[C@@H](O)CNC(=O)/C=C/c1ccc(N2CCOCC2)cc1	119851472	FFACPXCCZMURDU-WXJAXGNASA-N	290.363	1.033	10	20	CDCD	
CC(C)(CN1CCOCC1)NCc1ccc2c(c1)CCO2	308640158	QMXSCZZMGWQCQK-UHFFFAOYSA-N	290.407	1.822	10	20	CDCD	
COC(=O)[C@@H](C)N(C)Cc1ccc(N2CCOCC2)cc1	123668951	GOYYCIZYDZTAKD-CYBMUJFWSA-N	292.379	1.517	10	20	CDCD	
Cc1cccc(CN(C)[C@H]2CCS(=O)(=O)C2)c1O	124504784	YAWZENJLZYDZBY-LBPRGKRZSA-N	269.366	1.320	10	20	CDCD	
Cc1cc(O)c(CN2CCN(C[C@H](C)O)CC2)cc1C	189850596	DEELMIRVPXKEFB-AWEZNQCLSA-N	278.396	1.507	10	20	CDCD	
C[C@@H](NCCNC(=O)c1ccn[nH]1)c1ccccc1O	183720495	QPXSHQXYHXNVJO-SNVBAGLBSA-N	274.324	1.196	10	20	CDCD	
CCCN(Cc1ccccc1O)[C@H](C)c1nnnn1C	189480967	NETYTKDEXXKEHY-LLVKDONJSA-N	275.356	1.889	10	20	CDCD	
C[C@H](O)CN(C)Cc1ccc(N2CCOCC2)cc1	130771610	TXLCVECVHQDLSO-ZDUSSCGKSA-N	264.369	1.336	10	20	CDCD	
CN1CCCc2cc(CNC(=O)c3c[nH]nn3)ccc21	195091435	BOEMMBYPGJWDKF-UHFFFAOYSA-N	271.324	1.117	10	20	CDCD	
COc1cc(N(C)CCOCCO)cc(OC)c1OC	265988299	IGRHWAJMIJFHSM-UHFFFAOYSA-N	285.340	1.158	10	20	CDCD	
C[C@@H](N)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1	132916348	SRNXTRLRFBMDRI-LLVKDONJSA-N	295.358	1.016	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cnns1	194008576	KDCGDKSRFDKKDB-SSDOTTSWSA-N	294.336	1.702	10	20	CDCD	
C[C@H]1[C@@H](C)S(=O)(=O)CCN1Cc1ccc(N(C)C)cc1	93559167	SURXIZYUIMURHI-QWHCGFSZSA-N	296.436	1.760	10	20	CDCD	
CN[C@H](C)CNC(=O)c1cc(C)n(-c2ccccn2)c1C	261674932	HAHHZCTYKJBBSL-LLVKDONJSA-N	286.379	1.827	10	20	CDCD	
COc1ccc(CNC(=O)C[C@H]2CCCC(=O)N2)c(O)c1	368135145	OQYASTKBISLVLS-LLVKDONJSA-N	292.335	1.076	10	20	CDCD	
CCCc1nc(C(=O)NCc2ccc(O)c(O)c2)co1	273732433	QVFKXGQNOXXVFW-UHFFFAOYSA-N	276.292	1.968	10	20	CDCD	
C[C@H](NC[C@@]1(O)CCOC1)c1cc([N+](=O)[O-])ccc1O	273344754	AKOLQKZYCMSVFU-ZANVPECISA-N	282.296	1.102	10	20	CDCD	
Cc1cc(C(=O)NC[C@@H]2CCNC2)c(C)n1-c1ccccn1	273086875	YXNRRQHDGXKHDN-CQSZACIVSA-N	298.390	1.828	10	20	CDCD	
CN(C)c1ccc(CNC(=O)Cn2cnc(Cl)n2)cc1	287272619	QZTKGZZGKKYSJS-UHFFFAOYSA-N	293.758	1.314	10	20	CDCD	
CSCCONC(=O)/C=C/c1ccc(O)c(O)c1	280075367	RVWPGTNDAMJERY-HWKANZROSA-N	269.322	1.522	10	20	CDCD	
Cc1cnc(C(=O)NCc2ccc(N(C)C)cc2)o1	291876290	WYMREZWSVNGPGQ-UHFFFAOYSA-N	259.309	1.979	10	20	CDCD	
C[C@@]1(NCc2cccc(Cl)c2O)CCOC1=O	290822832	GZNOAUIODSLDKK-GFCCVEGCSA-N	255.701	1.841	10	20	CDCD	
C[C@H]1COCC[C@@H]1CNC(=O)c1cccc(O)c1O	804616880	DDMFVYMDKHFRHD-VHSXEESVSA-N	265.309	1.500	10	20	CDCD	
Cn1cc(C(=O)NCc2ccc(N3CCCCC3)cc2)nn1	808386762	JKGLHRAXQBDXRG-UHFFFAOYSA-N	299.378	1.735	10	20	CDCD	
O=C(NCCOC[C@H]1CCOC1)c1cc(O)cs1	732291018	MNZYTXGQIWBRND-VIFPVBQESA-N	271.338	1.237	10	20	CDCD	
COc1cc(C)cc(CN2CCO[C@@H]3COCC[C@@H]32)c1O	902626306	UUDRNPCRGCKBQA-DZGCQCFKSA-N	293.363	1.699	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)CSCC(=O)O)c1	739924586	BXAVEXWRCITRII-MRVPVSSYSA-N	299.348	1.396	10	20	CDCD	
C[C@H]1CCC[C@]1(O)CNC(=O)c1cc(O)cs1	832903972	GQZDBFOAIQYQQU-UFBFGSQYSA-N	255.339	1.735	10	20	CDCD	
CC(C)OC[C@H](O)CN(C)c1ccc(OCC(=O)O)cc1	833504153	ZHBAUAALHKQXCH-CYBMUJFWSA-N	297.351	1.372	10	20	CDCD	
Cc1cccc2c1CCN2C(=O)c1ccoc1CC(N)=O	671675023	XMFFNEJLWQLCFL-UHFFFAOYSA-N	284.315	1.819	10	20	CDCD	
CNC[C@@H]1CCN(Cc2cc3c(cc2O)OCO3)C1	843052929	PCJILNSGNGNINW-JTQLQIEISA-N	264.325	1.162	10	20	CDCD	
COc1cc(O)c(CNC[C@H](C(=O)O)C(C)C)cc1OC	848639735	KKMGZHYYPMUNRA-NSHDSACASA-N	297.351	1.856	10	20	CDCD	
Cc1n[nH]cc1CNC[C@H](N)c1ccc(N(C)C)cc1	841041571	DSSGCSGQTWYXDK-HNNXBMFYSA-N	273.384	1.574	10	20	CDCD	
COc1nccc(/C=C2\SC(=S)N(C3CC3)C2=O)n1	841494972	GNBRUIAOQIIFPF-TWGQIWQCSA-N	293.373	1.849	10	20	CDCD	
C[C@@]1(C(=O)NCc2ccc(O)cc2O)CCOC1	910949934	QWSIQOSFXGBKIB-CYBMUJFWSA-N	251.282	1.141	10	20	CDCD	
CCCc1cc(C(=O)NCc2ccccc2O)n[nH]1	747517440	BJTBFPWNMVKACD-UHFFFAOYSA-N	259.309	1.998	10	20	CDCD	
COc1ccc(N(C)CCN(C)Cc2nc(O)n[nH]2)cc1	844400413	BMLNIJPMBXAXAO-UHFFFAOYSA-N	291.355	1.087	10	20	CDCD	
COc1cccc([C@H](C)NCc2cnn(C)c2)c1O	846142987	GWNUESTWBGSCES-JTQLQIEISA-N	261.325	1.985	10	20	CDCD	
NC[C@H]1CCC[C@@H]1NCc1ccc(N2CCOCC2)cc1	841031634	UMWCAXCSYMKJTN-WBVHZDCISA-N	289.423	1.740	10	20	CDCD	
CC1(C)[C@H](NC(=O)c2cc(O)cs2)[C@H]2CCO[C@H]21	741292634	FHNAYOJQISQCCO-FBIMIBRVSA-N	267.350	1.997	10	20	CDCD	
C[C@@H]1COC[C@@H]1NC(=O)/C=C/c1ccc(O)c(O)c1	928902511	IYPHIPMQOCOASF-FYGOAMBHSA-N	263.293	1.262	10	20	CDCD	
CC(C)(C)n1nnc(CCOC(=O)c2cc(O)cs2)n1	849728905	ZKRKOGSILKASCY-UHFFFAOYSA-N	296.352	1.595	10	20	CDCD	
CCn1nncc1CNCc1cc(F)c(N(C)C)cc1F	858202739	IEHZLHDHNYSDAC-UHFFFAOYSA-N	295.337	1.932	10	20	CDCD	
O=C1CN(Cc2ccccc2O)C(=O)N1CCOCCF	853090521	QBRSUPRRLXONAK-UHFFFAOYSA-N	296.298	1.143	10	20	CDCD	
CC(=O)c1cc(F)cc(CN(C)CC(C)(C)N)c1O	852755013	TXABDHIGEBMAMX-UHFFFAOYSA-N	268.332	1.903	10	20	CDCD	
COC[C@@](C)(O)C(=O)N(C)Cc1ccc(N(C)C)cc1	754976342	HLRRCSBFKSZOOX-OAHLLOKOSA-N	280.368	1.108	10	20	CDCD	
CC(C)[C@@H](OC(=O)/C=C\c1ccc(O)c(O)c1)C(N)=O	759588281	KEFYNZIWHVGFDZ-RYWCDNDXSA-N	279.292	1.164	10	20	CDCD	
CN(C)c1cc(F)c(CN2CC[C@H](C(N)=O)C2)cc1F	862211388	IERQQCOVJVYMSO-VIFPVBQESA-N	283.322	1.338	10	20	CDCD	
CCOc1ccc(CN2CCS(=O)CC2)c(O)c1	769328964	IIZOFIUFWHMCAO-UHFFFAOYSA-N	269.366	1.355	10	20	CDCD	
COC(=O)NCCNC(=O)N[C@H](C)c1ccccc1O	868684473	OSFUCEVQEJYRDT-SECBINFHSA-N	281.312	1.108	10	20	CDCD	
OCCNC1CCN(Cc2cccc(F)c2O)CC1	873217956	VVOXOAFDXZLGKQ-UHFFFAOYSA-N	268.332	1.078	10	20	CDCD	
CCc1nn(C)cc1/C=C1/C(=O)NN(c2ccccc2)C1=O	770574596	YOIBQHCALMIHQF-LCYFTJDESA-N	296.330	1.444	10	20	CDCD	
C[C@H]1[C@H](C)N(C(=O)c2cc(O)cs2)CCN1C	771418866	OPWWZIPUYWZTDS-IUCAKERBSA-N	254.355	1.618	10	20	CDCD	
Cc1cccc(O)c1CNC[C@H]1CC[C@H](C(=O)N(C)C)O1	877130238	KNVXBABUQDYTKV-IUODEOHRSA-N	292.379	1.426	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)c1cnc2[nH]nnc2c1	777797437	SOONATRAJOOCNN-UHFFFAOYSA-N	283.291	1.331	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNCCN(C)C(C)C)c1O	774988350	FDNRNNFJYSYSIR-UHFFFAOYSA-N	297.355	1.739	10	20	CDCD	
CON(C)CCNCc1c(O)cccc1Br	883171112	ORWOKLLDEWKZKG-UHFFFAOYSA-N	289.173	1.738	10	20	CDCD	
C[C@H](NCCN1CCOC[C@@H]1C)c1ccccc1O	783507651	CVYDOBVYQFQNRI-STQMWFEESA-N	264.369	1.764	10	20	CDCD	
CNC(=O)[C@@H]1CCC[C@H]1NCc1cc(C)cc(OC)c1O	894361153	DVSOGGSIKIQWLD-CHWSQXEVSA-N	292.379	1.714	10	20	CDCD	
CN(Cc1cscn1)C(=O)c1c(F)ccc(O)c1O	789964606	YRACQIMYWOFKSA-UHFFFAOYSA-N	282.296	1.966	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@H](O)CCSC)c1	788662010	MRBLBFLDNUCFSY-GFCCVEGCSA-N	285.365	1.131	10	20	CDCD	
CC(C)(C)OC(=O)NCC(=O)NCc1ccccc1O	82287209	NCXILVJMWBLUAQ-UHFFFAOYSA-N	280.324	1.533	10	20	CDCD	
C[C@@H](NCCS(C)(=O)=O)c1cc(F)ccc1O	94617636	XEYJUSAXXCSQPU-MRVPVSSYSA-N	261.318	1.227	10	20	CDCD	
Cc1cccc(CN[C@H]2CS(=O)(=O)C[C@H]2C)c1O	711722993	QZRGHWBJCBYLGL-PWSUYJOCSA-N	269.366	1.223	10	20	CDCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2N[C@@H]1CCOC[C@H]1O	1330697724	LEIJAVVZKPJLEM-KZVDOYCCSA-N	277.364	1.988	10	20	CDCD	
CN(C)C(=O)CC1CCN(Cc2ccc(N)cc2)CC1	1336117023	LHGCYPAZXTWNGA-UHFFFAOYSA-N	275.396	1.959	10	20	CDCD	
CN1CCC(C(=O)NCc2cccc(O)c2O)CC1	1521852807	ZQKFMQVNIPZHIL-UHFFFAOYSA-N	264.325	1.056	10	20	CDCD	
COc1cc(C)cc(CNC2CC(C(=O)O)C2)c1O	1607149491	QZXDQXSMOGQGJN-UHFFFAOYSA-N	265.309	1.662	10	20	CDCD	
O=C(CSc1ncc(C(=O)O)s1)NCC1CCC1	1610672589	ITEDDGDDSBZBEZ-UHFFFAOYSA-N	286.378	1.850	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)[C@H]1COc2ccccc21	158893520	BKXVZUUDFBJXRX-LBPRGKRZSA-N	285.299	1.890	10	20	CDCD	
CN(C)c1ncccc1C(=O)NCCc1ccc(N)cc1	152512516	IFEBDVYSFRWWMN-UHFFFAOYSA-N	284.363	1.702	10	20	CDCD	
COc1cccc(O)c1CN1CC[C@H](CC(N)=O)C1	809785510	VLASNEUFDCWKAR-SNVBAGLBSA-N	264.325	1.098	10	20	CDCD	
CCNC(=O)[C@@H](C)N[C@H](C)c1cc(OC)ccc1O	36795002	KFYBGPJZROMKDV-NXEZZACHSA-N	266.341	1.576	10	20	CDCD	
Nc1ccc(CCNC(=O)[C@@H]2C[C@H]3CC[C@H]2O3)cc1	269150094	OYNOOBTXXALBFF-MGPQQGTHSA-N	260.337	1.495	10	20	CDCD	
C[C@@H]1C[C@H](NCc2ccc(N3CCOCC3)cc2)CO1	402041756	JBOVQLRSHNDLQV-HIFRSBDPSA-N	276.380	1.790	10	20	CDCD	
Cc1cnn(C)c1CNCc1ccc2c(c1)CCO2	394086175	NANLGKGLUGMXFA-UHFFFAOYSA-N	257.337	1.953	10	20	CDCD	
C[C@H](N[C@@H](CO)C[C@H]1CCCO1)c1ccccc1O	886667941	KXZMAUIBFZZNQN-YNEHKIRRSA-N	265.353	1.973	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CCn1cccn1	54483731	ZDDHOUPPXFOLMM-UHFFFAOYSA-N	286.379	1.998	10	20	CDCD	
CC(=O)N1CC[C@H](CN(C)Cc2ccccc2O)C1	179587506	FGNRIJCXRJWWBU-CYBMUJFWSA-N	262.353	1.692	10	20	CDCD	
Cc1ccc(C(=O)N[C@H]2CCCC[C@H]2C(N)=O)c(O)c1O	179536940	KGLZLTOPKFAVIS-KOLCDFICSA-N	292.335	1.180	10	20	CDCD	
COC[C@H](O)CCN[C@H](C)c1cc(F)ccc1O	186203534	ANBAXSPDMFCXHQ-MWLCHTKSSA-N	257.305	1.579	10	20	CDCD	
COc1ccc(CNCC2(OC)CCOCC2)c(O)c1	123176233	VONIGJKMJWLQEV-UHFFFAOYSA-N	281.352	1.686	10	20	CDCD	
COc1cccc(CN(C)CC2(O)CCOCC2)c1O	188843710	FUVPNDOABZGLHN-UHFFFAOYSA-N	281.352	1.374	10	20	CDCD	
CNS(=O)(=O)CCN[C@@H](C)c1cc(Cl)ccc1O	187175512	FXJXIKFEDOAVRF-QMMMGPOBSA-N	292.788	1.245	10	20	CDCD	
O=C(NCc1ccc(N2CCOCC2)cc1)[C@@H]1CCCO1	49740519	WLIWIZNOBGJHON-HNNXBMFYSA-N	290.363	1.318	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NCCn2cccn2)cc1	194273526	NSWLIGISXQNRIL-UHFFFAOYSA-N	287.367	1.449	10	20	CDCD	
CCOc1ccc(O)c(CN2CCO[C@H](COC)C2)c1	93529386	RGPVGZYATFWHDT-AWEZNQCLSA-N	281.352	1.638	10	20	CDCD	
CCS(=O)(=O)N(C)Cc1ccc(N(C)C)cc1	64942606	CKHXMKVZPVDXFQ-UHFFFAOYSA-N	256.371	1.534	10	20	CDCD	
CN(C)C(=O)CCCC(=O)NCCc1ccc(O)c(O)c1	269253209	XVKOVLKZSYIBAF-UHFFFAOYSA-N	294.351	1.015	10	20	CDCD	
CCOC[C@@H](O)CN(CC)c1ccc(OC)c(OC)c1	269645042	TUOWTNZDRMFZKG-ZDUSSCGKSA-N	283.368	1.928	10	20	CDCD	
COC(=O)[C@@H](C)CN(C)C(=O)/C=C/c1ccc(O)c(O)c1	272350484	AVOOAWWMKZEUTD-STUBTGCMSA-N	293.319	1.379	10	20	CDCD	
C[C@@H]1CC(=O)NCCN1Cc1c(O)ccc(Cl)c1F	367670554	NMASFZUXNBSDEH-MRVPVSSYSA-N	286.734	1.895	10	20	CDCD	
C[C@@H]1C(=O)N(Cc2ccc(N(C)C)c(F)c2)C(=O)N1C	277902374	PPQJIAPPMGSIDN-SECBINFHSA-N	279.315	1.674	10	20	CDCD	
CC[C@@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)C[C@@H]1O	272627151	JWCATNQDWVVAOS-OZAOCKQISA-N	277.320	1.340	10	20	CDCD	
C[C@@H]1CN(Cc2ccccc2O)C[C@]2(CCOC2)O1	280321976	QKIZMKUOZHDVNU-DOMZBBRYSA-N	263.337	1.772	10	20	CDCD	
CC[C@@H](NC[C@@]1(O)CCOC1)c1ccc(F)cc1O	286154519	OZKNVDJRZDYFLN-OCCSQVGLSA-N	269.316	1.723	10	20	CDCD	
CCOc1cccc(CN2CCN3C(=O)OC[C@@H]3C2)c1O	378347875	WUFKZDWMZVWIAB-LBPRGKRZSA-N	292.335	1.427	10	20	CDCD	
CO[C@H](C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)C1CC1	280416734	WVRXVDKKIPWNEC-XPTSAGLGSA-N	279.336	1.570	10	20	CDCD	
COc1ccc(O)c(CN2C[C@@H](C)O[C@@]3(CCOC3)C2)c1	280294788	OLOZOUYXZVGMMY-WBMJQRKESA-N	293.363	1.781	10	20	CDCD	
CC(=O)C(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O	808010160	NDPULPWHUDTRHJ-UHFFFAOYSA-N	281.617	1.679	10	20	CDCD	
COC(=O)[C@@H]1C[C@H](O)CN1Cc1ccc(N(C)C)c(C)c1	294400325	CLEBYDKBQIHSJW-ZFWWWQNUSA-N	292.379	1.169	10	20	CDCD	
COc1cccc(CNC(=O)Cn2cc(Cl)cn2)c1O	806762824	KLIABZMRAFWANC-UHFFFAOYSA-N	295.726	1.567	10	20	CDCD	
Cc1ccc(O)c(CN(CCN(C)C)CCN(C)C)c1	809741821	XROZGCRQULVHHS-UHFFFAOYSA-N	279.428	1.626	10	20	CDCD	
C[C@H](CCCCO)NC(=O)/C=C/c1ccc(O)c(O)c1	296124811	LQLTVFDYAXPRRH-LXSSAFMLSA-N	279.336	1.778	10	20	CDCD	
CO[C@H](C)[C@@H](C)NCc1ccc(N2CCN(C)CC2)cc1	810173352	ATWSXHJFCKVLAG-HUUCEWRRSA-N	291.439	1.951	10	20	CDCD	
C[C@@H]1C[C@@H](NC[C@@H](N)c2ccc(N(C)C)cc2)CCN1C	817942816	RBLOPVPVWIDRSI-UKPHBRMFSA-N	290.455	1.825	10	20	CDCD	
COc1ccc(N2CC[C@H](CN[C@@H]3CCOC3)C2)cc1	818219780	DGZXJCQLYDVTIG-ZIAGYGMSSA-N	276.380	1.900	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H](C)N(C)C)c1	821064757	GYFNZJQSOCDVAG-VHSXEESVSA-N	266.341	1.528	10	20	CDCD	
C[C@H](CC(=O)O)C(=O)NCc1ccc(N(C)C)cc1	827295161	FIILACHCDIPWAH-SNVBAGLBSA-N	264.325	1.480	10	20	CDCD	
CN(C)c1ccc(CN[C@@H]2CCC[C@H]2O)cc1F	835079819	DIGIGUMZKGQOJB-TZMCWYRMSA-N	252.333	1.895	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCCF	831924030	BJJORCSFOMEHEH-VIFPVBQESA-N	255.289	1.895	10	20	CDCD	
CN(C)C1(CNC(=O)c2c(F)ccc(O)c2O)CC1	842272229	UOBPTGAJTSNURF-UHFFFAOYSA-N	268.288	1.061	10	20	CDCD	
CCOc1ccc(O)c(CN2CC[C@@H]3NCC[C@@H]3C2)c1	843127814	TXVPBGCZLMFSBW-DOMZBBRYSA-N	276.380	1.975	10	20	CDCD	
CCC(=O)N[C@@H](C)c1nc(Cc2ccc(N)cc2)no1	843158377	CCUQTZXNGUSRGE-VIFPVBQESA-N	274.324	1.830	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H]2CCCC23OCCO3)c(O)c1O	912633642	XMEPOUPWFRPPJG-LLVKDONJSA-N	293.319	1.432	10	20	CDCD	
CCOc1ccc(CN2CC[C@H](CN)C2)c(O)c1	843048715	SUOMNICWFMZHJU-LLVKDONJSA-N	250.342	1.572	10	20	CDCD	
CC(C)C[C@@H](CN)NC(=O)NCc1ccc(N(C)C)cc1	841651916	CFJKJTOBUJLPAY-AWEZNQCLSA-N	292.427	1.925	10	20	CDCD	
Oc1c(F)cccc1CN1CC[C@@]2(CCCN2)C1	841105256	DIXYBRCAEBLCPO-AWEZNQCLSA-N	250.317	1.859	10	20	CDCD	
Nc1ccc(CCNC(=O)N[C@H]2CCC[C@@H](N)C2)cc1	841955927	RMTPCQUSULSNKK-KGLIPLIRSA-N	276.384	1.380	10	20	CDCD	
O=C1C[C@H]2CC[C@@H](CN1)N2Cc1cc2c(cc1O)CCC2	748261835	CGLSLNREWDNLIV-CABCVRRESA-N	286.375	1.734	10	20	CDCD	
CN(C)C1(C(=O)NCc2ccc(O)cc2O)CCC1	910946950	WOQGFUIGFNRYTA-UHFFFAOYSA-N	264.325	1.198	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1C[C@H]2C[C@H]2N1	843488389	XYJKHVMGFXIBSS-YUELXQCFSA-N	273.380	1.461	10	20	CDCD	
COC1(CNC(=O)c2cc(O)cs2)CCOCC1	747617600	RWBDHOYZSDPQCH-UHFFFAOYSA-N	271.338	1.379	10	20	CDCD	
COc1ccc(O)c(CN[C@H](CN)CC(C)C)c1	841038664	NJGQLWNCWSDRGS-LBPRGKRZSA-N	252.358	1.864	10	20	CDCD	
Cc1cc(CN2CCO[C@@H](CN)C2)ccc1N(C)C	923332035	GOCGDHLNRRRNRP-AWEZNQCLSA-N	263.385	1.221	10	20	CDCD	
COC(=O)[C@@H]1CCN(C(=O)Cc2ccc(N)cc2)C[C@@H]1C	852864037	NFNCHCPDUIDOND-SMDDNHRTSA-N	290.363	1.469	10	20	CDCD	
Cc1cc(CNC(=O)c2ccc(C)c(O)c2O)no1	751535385	PJLGAMYMOJMWEC-UHFFFAOYSA-N	262.265	1.633	10	20	CDCD	
CCCc1nc(COC(=O)c2cccc(O)c2O)no1	758583560	YISDFGHUBOGGHU-UHFFFAOYSA-N	278.264	1.790	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N[C@H](CO)CC(F)F	760679017	RFNSINVSDCNYHO-MDHMXLOGSA-N	287.262	1.243	10	20	CDCD	
CN1CC[C@](O)(CNCc2cc(Cl)cc(F)c2O)C1	762790855	KOWNXBIURUWEKZ-ZDUSSCGKSA-N	288.750	1.341	10	20	CDCD	
CCN(CC(=O)N(C)C)Cc1cc(F)c(N(C)C)cc1F	862220397	MCSCLKCPTWTVMO-UHFFFAOYSA-N	299.365	1.941	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@@H]2CCSC2)c1	762541369	XWHKXNNQLTTYPX-SECBINFHSA-N	267.350	1.770	10	20	CDCD	
CO[C@@]1(CNC(=O)/C=C/c2ccc(O)c(O)c2)CCOC1	764452212	DLLUPMRRCRASIC-SJDLMVEWSA-N	293.319	1.033	10	20	CDCD	
CCOc1ccc(CN(CC(N)=O)CC(C)C)c(O)c1	768533930	VWCOQUARDZLGNC-UHFFFAOYSA-N	280.368	1.734	10	20	CDCD	
Cc1cc(O)c(CN2CCN(C)C[C@@H]2CO)cc1C	877645063	ZOCIKGNBHVCDOV-CQSZACIVSA-N	264.369	1.117	10	20	CDCD	
CC[C@]1(O)CCN(Cc2cc(OC)ccc2O)C1	779218508	FYKLTXHXTVYMJU-AWEZNQCLSA-N	251.326	1.748	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CN2CCCC2)cc1F	874250781	ZMMZCNMUCNLUSH-UHFFFAOYSA-N	279.359	1.604	10	20	CDCD	
C[C@H](NC(=O)NCCCCO)c1ccc(N(C)C)cc1	787316907	FSCFPXPZBCRHQV-LBPRGKRZSA-N	279.384	1.885	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)N1CCCC1	780607849	IJZCGHCJVJMFCE-JTQLQIEISA-N	264.325	1.834	10	20	CDCD	
Cc1ccc(C(=O)N(C)CC(C)(C)O)c(O)c1O	780956646	SFLMFSHQEZPDFQ-UHFFFAOYSA-N	253.298	1.249	10	20	CDCD	
COc1cc(C)cc(CN2CC[S@](=O)C[C@H](C)C2)c1O	894565849	HHIDJBNOJJJGBY-ODXCJYRJSA-N	297.420	1.910	10	20	CDCD	
CCOCc1cc(CN[C@H]2CCOC2=O)ccc1OC	895799139	NMAZLPGHCYRKOC-ZDUSSCGKSA-N	279.336	1.637	10	20	CDCD	
COc1cc(C)cc(CN[C@@H]2C[C@@H](O)C2(C)C)c1O	894495087	SBJLOWUTYHQVAJ-CHWSQXEVSA-N	265.353	1.958	10	20	CDCD	
CN(C)c1cc(F)c(CNC[C@@H]2COCO2)cc1F	894886468	DLLQVIHMIMTBNT-SNVBAGLBSA-N	272.295	1.493	10	20	CDCD	
CCOC(=O)C1=NN(c2ccc(F)c(F)c2)C(=O)[C@H]1C	899360290	HVPZLRKCJYMRDB-ZETCQYMHSA-N	282.246	1.867	10	20	CDCD	
C[C@@H](NCc1cc2c(cc1O)OCO2)[C@H]1CCOC1	135204736	VKVIYUQZRFAUCM-ZJUUUORDSA-N	265.309	1.636	10	20	CDCD	
C[C@@H](CO[C@@H]1CCOC1)NC(=O)NCc1ccc(N)cc1	1335528157	BOHNFAPPSBOZTK-SMDDNHRTSA-N	293.367	1.262	10	20	CDCD	
CCCOc1ccc(CNC[C@H](O)C(=O)O)cc1C	1262163787	HQNHLFQREMLBCH-LBPRGKRZSA-N	267.325	1.319	10	20	CDCD	
O=C(O)[C@H](Cc1ncccn1)NCc1ccc2c(c1)CCO2	1346118213	UQYAMIYSGJOGLV-ZDUSSCGKSA-N	299.330	1.197	10	20	CDCD	
Cn1ccc([C@H](NCc2ccccc2O)C(=O)O)n1	1610610292	UQBYXFFARTVXIB-LBPRGKRZSA-N	261.281	1.041	10	20	CDCD	
CC(C)[C@H](O)CN[C@@H](C)c1cccc(-c2nn[nH]n2)c1O	1589959849	VZLVIDWYGJQTOW-JOYOIKCWSA-N	291.355	1.240	10	20	CDCD	
CCCOc1ccc(CN[C@@](C)(CO)C(=O)O)cc1C	1595960600	LFRZNNWLOQRLHW-HNNXBMFYSA-N	281.352	1.709	10	20	CDCD	
Cc1ccc(C(=O)N2CC[C@@](C)(C(=O)O)C2)c(O)c1O	1594344765	OUYXAMJMYAKENO-CQSZACIVSA-N	279.292	1.343	10	20	CDCD	
C[C@@H](NC(=O)[C@@H]1CC[C@@H]1C(=O)O)c1ccccc1O	1594206642	KQCJVJMKDQILSQ-IEBDPFPHSA-N	263.293	1.680	10	20	CDCD	
C[S@](=O)C1(CN[C@@H]2CCc3cccc(O)c32)CC1	296573569	VHCWIHLQSHVPQJ-ZMZPIMSZSA-N	265.378	1.880	10	20	CDCD	
C[C@H]1CN(C(=O)CN(C)c2ccc(N)cc2)C[C@H](C)O1	702068670	AHNKRUFKORRNOC-RYUDHWBXSA-N	277.368	1.341	10	20	CDCD	
CS(=O)(=O)[C@H]1CCCN(Cc2ccc(N)cc2)C1	386458798	DXXXMDGDWPDVQF-ZDUSSCGKSA-N	268.382	1.278	10	20	CDCD	
CCN(C)C(=O)NCc1ccc(N2CCOCC2)cc1	101991153	XXWMZLYQCBEEBZ-UHFFFAOYSA-N	277.368	1.685	10	20	CDCD	
Cc1cc(C(=O)Nc2nnn[nH]2)c(C)n1-c1ccccn1	102895090	CPCGHFDSICTZMW-UHFFFAOYSA-N	283.295	1.255	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CCc1nnc[nH]1	176774735	AGLCNNOOKFVZTQ-UHFFFAOYSA-N	287.367	1.462	10	20	CDCD	
CCn1cc(C(=O)N(C)Cc2ccccc2O)cn1	114537628	VQVGLMTUYJERBN-UHFFFAOYSA-N	259.309	1.881	10	20	CDCD	
C[C@@H](CNCc1c(O)cccc1Cl)N1CCN(C)CC1	113336627	NAJXYGXMWPDXGV-LBPRGKRZSA-N	297.830	1.771	10	20	CDCD	
CCNS(=O)(=O)NCc1ccc(N(CC)CC)cc1	172447935	DJGVPGKWCRYGHY-UHFFFAOYSA-N	285.413	1.477	10	20	CDCD	
CCOc1cccc(CN2CCNC(=O)[C@H]2C)c1O	123447177	GUPLHTZOLDBIDM-SNVBAGLBSA-N	264.325	1.111	10	20	CDCD	
Cc1ccc(C(=O)N2CC[C@@H](C)[C@H]2CO)c(O)c1O	189512407	GBGSOKDBRGJSBP-LDYMZIIASA-N	265.309	1.249	10	20	CDCD	
Cc1ccc(O)c(CNC2CCS(=O)CC2)c1	157926967	PHQDAIUQWLBCEF-UHFFFAOYSA-N	253.367	1.701	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)Nc1nccnc1C#N	183599917	FDFMGCSPETTWAA-SECBINFHSA-N	270.292	1.803	10	20	CDCD	
Oc1ccc(Br)cc1CN1CC[C@@H](O)C1	128073802	GTIJTWJQFYIIJE-SNVBAGLBSA-N	272.142	1.721	10	20	CDCD	
CC(C)[C@@](C)(O)CNC(=O)/C=C/c1ccc(O)c(O)c1	181143622	NBPGPFCNRJMHFV-ZKKXHLJNSA-N	279.336	1.634	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2C[C@H](C)O[C@@H](CO)C2)c1O	191723166	WYPNGWGCWSTBNT-TVQRCGJNSA-N	297.326	1.316	10	20	CDCD	
COC(=O)CSCCC(=O)N(C)Cc1ccccc1O	268647933	QVQLXSUIUUPCSM-UHFFFAOYSA-N	297.376	1.647	10	20	CDCD	
Oc1cc2c(cc1CN1CC[C@@H](n3cncn3)C1)OCO2	368799469	ITGIIUUCVCXPSA-LLVKDONJSA-N	288.307	1.159	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H](C)[C@H]2CCOC2)c(O)c1O	272745690	NALIIJSJVLAKFB-UWVGGRQHSA-N	265.309	1.561	10	20	CDCD	
CN1C[C@H]2CN(Cc3ccc(N(C)C)c(F)c3)C[C@H]2C1	278553327	DSJATVCYUXVRPW-OKILXGFUSA-N	277.387	1.885	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@H]2C[C@H](O)C2(C)C)c1O	278388521	MQKJSYQOIZZDNU-QWRGUYRKSA-N	296.323	1.558	10	20	CDCD	
Cc1cccc(CN2C[C@@H](N3CCOCC3)C[C@H]2C)c1O	289537621	HWICPJDQFXMRIF-ZBFHGGJFSA-N	290.407	1.996	10	20	CDCD	
C[C@@H](NCc1ccc(N(C)C)cc1)c1ccc(=O)[nH]n1	285827613	WUFRDFCJWMMDOR-LLVKDONJSA-N	272.352	1.687	10	20	CDCD	
CCn1nncc1C(=O)NCc1ccc(N(C)C)cc1	292711153	HJPCBOOQJVHHCX-UHFFFAOYSA-N	273.340	1.294	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H](C)OCC	808093167	JARGARDJVZELFQ-JTQLQIEISA-N	272.341	1.919	10	20	CDCD	
C[C@H](CO)CCCNC(=O)c1c(F)ccc(O)c1O	295543833	OOZUJRUCMADFJH-QMMMGPOBSA-N	271.288	1.375	10	20	CDCD	
CCN1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](C)C1	804381489	OPDCBJXEZLQYLS-PZBABLGHSA-N	290.363	1.664	10	20	CDCD	
COc1cccc(CNC(=O)CCc2ncccn2)c1O	812495810	PVNLSGZRTLGPKQ-UHFFFAOYSA-N	287.319	1.440	10	20	CDCD	
O=C(CCc1ncccn1)NCc1ccc(O)c(O)c1	813489403	YEDLQBYWBWKWAG-UHFFFAOYSA-N	273.292	1.137	10	20	CDCD	
C[C@@H]1C[C@H](CO)CN(Cc2cc(F)ccc2O)C1	817412029	BMKWQOQTDDGHHP-MNOVXSKESA-N	253.317	1.982	10	20	CDCD	
C[C@@H](NC[C@@H]1CNCCCO1)c1cc([N+](=O)[O-])ccc1O	817980857	FBOPDOODSKXVCE-PWSUYJOCSA-N	295.339	1.330	10	20	CDCD	
Cc1cccc(CN(CCN(C)C)CC(=O)N(C)C)c1O	827158942	VXSCCMCBZNQPRX-UHFFFAOYSA-N	293.411	1.152	10	20	CDCD	
CCOc1ccc(O)c(CN2CC(C)(C(=O)OC)C2)c1	822534554	MEBIUMKIDKQDNU-UHFFFAOYSA-N	279.336	1.786	10	20	CDCD	
CNC(=O)CCNCc1cc(Cl)c(C)cc1O	825159446	BKRFKSGVNJVGSR-UHFFFAOYSA-N	256.733	1.580	10	20	CDCD	
CC[C@H](O)[C@@H](C)C(=O)NCc1ccc(N(C)C)c(F)c1	900434253	JDEYBKUTWRMGRT-YGRLFVJLSA-N	282.359	1.915	10	20	CDCD	
Cc1cc(O)c(CN[C@@H](CO)c2cnn(C)c2)cc1Cl	825391415	UYPDFWKLHKJUDV-ZDUSSCGKSA-N	295.770	1.911	10	20	CDCD	
O=C1CN(C(=O)/C=C/c2cncc(F)c2)c2ccncc2N1	491939120	OCVTZZXSWZHFHF-OWOJBTEDSA-N	298.277	1.614	10	20	CDCD	
O=C(N[C@@H](C1CC1)[C@@H](CO)C1CC1)c1cc(O)cs1	834020023	GNGJLMSCPCNZHI-AAEUAGOBSA-N	281.377	1.981	10	20	CDCD	
CN(C)c1ccc(CN2CC[C@](F)(C(=O)O)C2)cc1F	901515618	OALJLUMJLPFOIE-CQSZACIVSA-N	284.306	1.890	10	20	CDCD	
Cc1cc(O)ccc1NS(=O)(=O)N=S(C)(C)=O	901628723	BFFOCEPERZTQCU-UHFFFAOYSA-N	278.355	1.085	10	20	CDCD	
C[C@@H]1NCC[C@H]1C(=O)NCc1c(O)ccc2c1CCCC2	830597638	RLYSRFBINJGCCK-WCQYABFASA-N	288.391	1.885	10	20	CDCD	
CN1CCC[C@@H](CNC(=O)NCc2ccccc2O)C1	731115698	GKFFXCSCXNUJBQ-LBPRGKRZSA-N	277.368	1.533	10	20	CDCD	
COc1ccc(N2CCC(NC(=O)CCO)CC2)cc1	902837870	CZCVMWONCJTAHJ-UHFFFAOYSA-N	278.352	1.163	10	20	CDCD	
CO[C@@H]1CN(Cc2ccc(N(C)C)c(C)c2)C[C@H]1O	832012048	KKYVLWBADNTMCC-HUUCEWRRSA-N	264.369	1.253	10	20	CDCD	
COc1ccc(O)c(CNc2ncccc2-c2nn[nH]n2)c1	737107351	BQJZYJKRUUCNGU-UHFFFAOYSA-N	298.306	1.588	10	20	CDCD	
CCO[C@@H]1C[C@](CO)(NC(=O)c2cc(O)cs2)C1(C)C	832677726	LJVDUXZBSYUJFB-BXUZGUMPSA-N	299.392	1.750	10	20	CDCD	
C[C@@H](C(=O)NCc1ccccc1O)C(=O)OC(C)(C)C	840399393	MZLYAGXJMYNIFX-JTQLQIEISA-N	279.336	1.986	10	20	CDCD	
C[C@@H]1CN(C(=O)NCCc2ccc(N)cc2)[C@H](C)CN1	841955451	CGISXNWXPZZNGF-VXGBXAGGSA-N	276.384	1.203	10	20	CDCD	
CO[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(N)cc2)C1(C)C	841065083	MPYQPZNVFXVUNM-NEPJUHHUSA-N	291.351	1.137	10	20	CDCD	
CCOc1cccc(CNC[C@@H]2CNCCCO2)c1O	841086069	LMOJEUBRZZJQKQ-ZDUSSCGKSA-N	280.368	1.259	10	20	CDCD	
COc1cccc([C@@H](C)NC[C@H]2COCCO2)c1O	846142601	FQOJRFJEEQGNQW-MNOVXSKESA-N	267.325	1.467	10	20	CDCD	
CCOCCONC(=O)NCCc1ccc(N)cc1	841879869	SRKRFTIVTRRVNI-UHFFFAOYSA-N	267.329	1.079	10	20	CDCD	
COc1ccc(CN[C@H]2CCc3c(nnn3C)C2)cc1C	848567496	WYLJEPWKBDJXBX-ZDUSSCGKSA-N	286.379	1.779	10	20	CDCD	
Cc1cc(O)c(CN[C@@H]2CCN(S(C)(=O)=O)C2)cc1C	846034363	ORPKTWCOHKFIJD-CYBMUJFWSA-N	298.408	1.133	10	20	CDCD	
OC[C@@H](NCc1ccc2c(c1)CCCO2)[C@H]1CCCOC1	922183907	CKLSZEOORPNVMM-JKSUJKDBSA-N	291.391	1.889	10	20	CDCD	
CO[C@@H](C)COC(=O)/C=C\c1ccc(O)c(O)c1	759590968	BPPHDHGGFWNVKU-RNEXMXFGSA-N	252.266	1.689	10	20	CDCD	
CNC(=O)CCCN(C)C(=O)c1cc(O)cs1	753847300	ZKSONIHJQZECNV-UHFFFAOYSA-N	256.327	1.052	10	20	CDCD	
C[C@H]1CC(=O)NCCN1Cc1cc(F)c(N(C)C)cc1F	862369751	XEFHCGYNJZYTHU-JTQLQIEISA-N	297.349	1.741	10	20	CDCD	
Cc1cccc(O)c1CNC[C@H]1CCCCS1(=O)=O	877303020	BLXPPJADXATSNO-GFCCVEGCSA-N	283.393	1.758	10	20	CDCD	
CN(CCC(N)=O)Cc1cc(F)c(N(C)C)cc1F	862365710	DMMVSIFVMJOREU-UHFFFAOYSA-N	271.311	1.338	10	20	CDCD	
OC1CC(CCNCc2ccc(N3CCOCC3)cc2)C1	762504160	PPTAXACXCWBVRF-UHFFFAOYSA-N	290.407	1.774	10	20	CDCD	
CN(C(=O)C1(C(=O)NC2CC2)CCC1)c1ccc(N)cc1	877078110	DFKOPXICTFMBDO-UHFFFAOYSA-N	287.363	1.681	10	20	CDCD	
Cc1nnc(COC(=O)c2cc(O)cs2)s1	773518831	NGMBTUKWYNFJIU-UHFFFAOYSA-N	256.308	1.971	10	20	CDCD	
C[C@@H](NCC(=O)NC[C@H]1CCCO1)c1ccccc1O	879648054	XFYZKNXDLVMOGV-VXGBXAGGSA-N	278.352	1.338	10	20	CDCD	
CC(C)CNC(=O)COC(=O)/C=C\c1ccc(O)c(O)c1	772773790	FAOKXSXJKGUUNA-XQRVVYSFSA-N	293.319	1.426	10	20	CDCD	
COc1ccc(O)c([C@H](C)NS(=O)(=O)NC2CC2)c1	772722197	DVHDFLJPGROZRG-QMMMGPOBSA-N	286.353	1.048	10	20	CDCD	
COCC[C@H](C)OC(=O)c1ccc(C)c(O)c1O	783345563	UTEFINDEQRLPGV-VIFPVBQESA-N	254.282	1.988	10	20	CDCD	
COc1cc(C)cc(CN(CC(N)=O)C(C)C)c1O	893900625	HBNKDSWQHDDXMY-UHFFFAOYSA-N	266.341	1.405	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H](C)C[C@@H]2CCOC2)c(O)c1O	780969457	QNUFVQFQFVJGSC-QWRGUYRKSA-N	279.336	1.951	10	20	CDCD	
C[C@H](CCN)NC(=O)N[C@H](C)c1ccccc1O	892057443	ZVYALMQUWNUCOK-NXEZZACHSA-N	251.330	1.490	10	20	CDCD	
COc1cc(C)cc(CNC[C@H]2CCCNC2=O)c1O	894983320	BQIVJBQSXPWZEX-LLVKDONJSA-N	278.352	1.325	10	20	CDCD	
CCOc1cccc(CN(CC(N)=O)CC(C)C)c1O	132904718	IMMCUVYVGMBVTQ-UHFFFAOYSA-N	280.368	1.734	10	20	CDCD	
CCO[C@@H]1C[C@@H](NCc2cc(C)cc(OC)c2O)[C@H]1OC	894466529	HGKDFVHUUYGRAW-XNRPHZJLSA-N	295.379	1.991	10	20	CDCD	
CC[C@@H](NC[C@H]1COCCO1)c1ccc(F)cc1O	796695563	QDWMOGLHBMWWDF-WCQYABFASA-N	269.316	1.987	10	20	CDCD	
C[C@H](CNC(=O)c1cccc(O)c1O)C[C@@H](C)O	187156521	BQZZUFFZUXAHOL-DTWKUNHWSA-N	253.298	1.235	10	20	CDCD	
Cc1nnc(CNCc2cc(F)cc(F)c2O)n1C	708517059	NRUPFNJIPGKYFJ-UHFFFAOYSA-N	268.267	1.397	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CC2(N)CCC2)cc1	94295027	QLCNXQCXGNNFCH-UHFFFAOYSA-N	261.369	1.640	10	20	CDCD	
Nc1ccc(CC(=O)N[C@H](CC(=O)O)C2CC2)cc1	137458713	UULXPWHTNPCLKQ-GFCCVEGCSA-N	262.309	1.181	10	20	CDCD	
C[C@H]1C[C@H](NC(=O)NCc2ccc(N)cc2)CCN1C	1338731339	GTVDRNTVJDWDAL-SMDDNHRTSA-N	276.384	1.551	10	20	CDCD	
C[C@H](NCCN1CCC(CO)CC1)c1cc(F)ccc1O	1342388700	BWWMTLVFJBWATF-LBPRGKRZSA-N	296.386	1.886	10	20	CDCD	
C[C@@H](NC[C@@](C)(O)C(=O)O)c1ccc(N(C)C)cc1	1604331591	CPJYHDMTCZPYDH-QMTHXVAHSA-N	266.341	1.239	10	20	CDCD	
C[C@@H](CC(=O)O)NC(=O)/C=C\c1ccc(O)c(O)c1	1603124879	XVQVTFOYOHYTNS-NHLYECAPSA-N	265.265	1.090	10	20	CDCD	
Cc1ccc(C(=O)Nc2cncc(C(=O)O)c2)c(O)c1O	1607735006	PAEWNEKWXCGYQC-UHFFFAOYSA-N	288.259	1.752	10	20	CDCD	
COC[C@]1(C(=O)NCc2cccc(Cl)c2O)CCNC1	1578976875	LCDQOIGYHOQPBM-AWEZNQCLSA-N	298.770	1.288	10	20	CDCD	
CC(C)(O)[C@@H]1CCCN(C(=O)NCc2ccc(N)cc2)C1	1575378898	UOKTZQJLWNEOSF-CYBMUJFWSA-N	291.395	1.961	10	20	CDCD	
C[C@@H](NC[C@H]1CCCN1)c1cc(C(=O)O)ccc1O	1593254997	ALTKFJCMIPLWRE-MWLCHTKSSA-N	264.325	1.493	10	20	CDCD	
C[C@H](NCCn1cccn1)c1cc(C(=O)O)ccc1O	1593286859	YFQXJZCZQBTARJ-JTQLQIEISA-N	275.308	1.638	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)[C@H]1CC[C@@H](C(=O)O)C1	1594768673	LBQBTEXECVCJGI-VHSXEESVSA-N	279.292	1.215	10	20	CDCD	
C[C@H](NC[C@H](O)C(F)(F)F)c1cc(C(=O)O)ccc1O	1593285420	DTIDJJJALUSETQ-WKEGUHRASA-N	293.241	1.664	10	20	CDCD	
CC(C)[C@H]1CN(C)CCN1Cc1cc2c(cc1O)OCO2	153660725	GMSUXYSXJZXTDO-CYBMUJFWSA-N	292.379	1.893	10	20	CDCD	
CCC[C@](C)(O)CNCc1cc2c(cc1O)OCO2	226251607	IDRPDMMCZUCETE-AWEZNQCLSA-N	267.325	1.762	10	20	CDCD	
Cc1nn(C)c(C)c1CC(=O)Nc1ccc(N)cc1	237685268	LQDKVSADUAIZEO-UHFFFAOYSA-N	258.325	1.800	10	20	CDCD	
Cc1ccc([C@@H](C)NCCN2CCCC2=O)c(O)c1	405406998	UQVDZMHLAGHDCY-GFCCVEGCSA-N	262.353	1.974	10	20	CDCD	
C[C@H]1[C@H](NC(=O)c2cccc(O)c2O)C[C@H]2CC[C@H]1N2	709285001	KUFTWGRRZNPYSN-CNVPUSNMSA-N	276.336	1.357	10	20	CDCD	
CCNC(=O)[C@H](C)N[C@@H](C)c1cc(C)ccc1O	36795323	MIRMYGNTVKUYMZ-QWRGUYRKSA-N	250.342	1.876	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2ccc(F)cn2)c1	183653303	KWVFIFBHQLBVJY-UHFFFAOYSA-N	276.267	1.865	10	20	CDCD	
CNC(=O)[C@H]1CCCCN1Cc1cccc(C)c1O	124536115	JOZOWBQAYVYYMQ-CYBMUJFWSA-N	262.353	1.801	10	20	CDCD	
O=S(=O)(C[C@@H]1CCCO1)Nc1ccc(O)cc1Cl	85205197	SLFYHMQDMAQNDP-VIFPVBQESA-N	291.756	1.966	10	20	CDCD	
CNC(=O)[C@]1(C)CCN(Cc2cc3c(cc2O)OCO3)C1	227260505	HEAIWSVIXTZJML-OAHLLOKOSA-N	292.335	1.079	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)c1cnn2c1CCC2	294759862	DWASCMFCWRVDBA-UHFFFAOYSA-N	271.320	1.807	10	20	CDCD	
Cc1c(CN=c2[nH]ccn3nnnc23)n(C)c2ccccc12	530481978	WKNVOOYWRDLTEZ-UHFFFAOYSA-N	293.334	1.353	10	20	CDCD	
C[C@H]1[C@@H](C)N(Cc2ccccc2O)CC[S@@]1=O	271440307	RUVXVDAEBGLWBL-RLFDGXBXSA-N	253.367	1.734	10	20	CDCD	
CC[C@H](N[C@@H](C)C(=O)NCCF)c1ccccc1O	281917014	AHFYRFLAICGNTD-JQWIXIFHSA-N	268.332	1.907	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@](C)(O)C1CC1	287990069	VFKPFADSAUEZGM-PSLIRLAXSA-N	279.336	1.306	10	20	CDCD	
Cc1cc(NC(=O)COc2ccc(N(C)C)cc2)n(C)n1	289312365	BJMUNMRBFGBDKR-UHFFFAOYSA-N	288.351	1.812	10	20	CDCD	
CN(CCOCCO)Cc1cccc(Cl)c1O	282837828	VHTRODQXRBURHN-UHFFFAOYSA-N	259.733	1.486	10	20	CDCD	
CCOc1ccc(N(CC)Cc2nnn(C)n2)cc1	281520164	UNEUKXLWYIOFCW-UHFFFAOYSA-N	261.329	1.635	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCC[C@H](c2ncc[nH]2)C1	280398181	GEDQLOKSVJYVEF-JTQLQIEISA-N	287.319	1.841	10	20	CDCD	
Cc1cc(C(=O)N[C@H]2C[C@@H](O)C2)c(C)n1-c1ccccn1	298535921	WAPPYPAUGHTQPK-BETUJISGSA-N	285.347	1.742	10	20	CDCD	
OC[C@H](CN[C@@H]1CCc2cccc(O)c21)[C@H]1CCOC1	296444658	MUULYGPEWLEGFQ-MELADBBJSA-N	277.364	1.614	10	20	CDCD	
Cc1nc([C@@H](C)NC(=O)/C=C/c2ccc(O)c(O)c2)n[nH]1	804812817	AKZGWNROAKNXAP-YZCDNWJKSA-N	288.307	1.415	10	20	CDCD	
Cn1cc(/C=C\C(=O)N2C[C@H](CO)c3ccccc32)cn1	817782467	MCCDPMNIUVIALX-FMFIFOJESA-N	283.331	1.556	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)C2(N)CCC2)c1	828666460	DLWHCRCVMHLMTJ-SECBINFHSA-N	264.325	1.459	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)CCNC(=O)O	828073150	GZVWGHYBMXCHJF-UHFFFAOYSA-N	293.323	1.136	10	20	CDCD	
C[C@H](NC(=O)[C@]1(C)CCNC1=O)c1ccc(N(C)C)cc1	822082975	RFACLFBEZKJOPN-MEDUHNTESA-N	289.379	1.456	10	20	CDCD	
Cc1cc(O)c(CN2C[C@H]3C(=O)NC(=O)[C@H]3C2)cc1Cl	826064665	MUUBBZZZVMBAOJ-AOOOYVTPSA-N	294.738	1.058	10	20	CDCD	
CCCCN(C)S(=O)(=O)Nc1ccc(O)cc1OC	901703541	HPLCJAUFQLBPHV-UHFFFAOYSA-N	288.369	1.789	10	20	CDCD	
C[C@@H](N)CC(=O)NCc1c(O)ccc2c1CCCC2	830597552	NYHGXUFHSWZTES-SNVBAGLBSA-N	262.353	1.625	10	20	CDCD	
CC1(C)CN(C(=O)/C=C\c2ccc(O)c(O)c2)CCO1	588404278	GMOQBHBEAGTWFF-XQRVVYSFSA-N	277.320	1.748	10	20	CDCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)CCC(N)=O	910558301	NWXXCOIEWVMCRD-GFCCVEGCSA-N	291.395	1.374	10	20	CDCD	
C[C@@H]1COC[C@@H]1NC(=O)NCc1ccc(N(C)C)c(F)c1	915366812	UEDLINHRSCPLSS-MFKMUULPSA-N	295.358	1.726	10	20	CDCD	
CN1CCN(C(=O)CSc2ncc(Cl)s2)CC1	849999259	XODFUPHCWQYKNV-UHFFFAOYSA-N	291.829	1.663	10	20	CDCD	
CCN(C)c1ccc([C@H](C)NC[C@@H]2CNC(=O)C2)cc1	840834621	XTJXSUJEEQFRPQ-QWHCGFSZSA-N	275.396	1.929	10	20	CDCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)N1C(=O)N[C@@H](C)C1=O	842265190	QCAUCPCXYWMBLW-NEPJUHHUSA-N	289.379	1.932	10	20	CDCD	
Cc1cc(CNC[C@H](N)c2ccc(N(C)C)cc2)nn1C	841042772	NXIJQFKJVVYARS-INIZCTEOSA-N	287.411	1.584	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)NC[C@@H](C)CN	841962279	HNFBJKBNLMOHTO-LBPRGKRZSA-N	279.384	1.909	10	20	CDCD	
Cc1ccc(C(=O)N[C@H]2CO[C@@H](C)C2)c(O)c1O	844106715	NGUNYZXVVUGFJH-DTWKUNHWSA-N	251.282	1.313	10	20	CDCD	
Nc1ccc(CCNC(=O)NC[C@@H]2CCCCN2)cc1	841922989	WLTZVZSFTIBCKQ-AWEZNQCLSA-N	276.384	1.253	10	20	CDCD	
CCN1CCC[C@@H](NCc2ccc(N(C)C)c(F)c2)C1=O	922639133	IJHUDIJTHTXAAQ-CQSZACIVSA-N	293.386	1.992	10	20	CDCD	
CNC(=O)CCCCC(=O)NCc1cc(Cl)ccc1O	846472631	CLPGDELROPKOHY-UHFFFAOYSA-N	298.770	1.968	10	20	CDCD	
CN(Cc1c(O)ccc2ccncc12)C[C@H]1COCCO1	853556979	GLWNRJKVEYGXNP-ZDUSSCGKSA-N	288.347	1.788	10	20	CDCD	
COc1ccc(O)c(CNCC[C@@H](C)N(C)C)c1	697878053	IFODQBFYSHNGTR-LLVKDONJSA-N	252.358	1.831	10	20	CDCD	
CCN(CCN)C(=O)NCc1ccc(N(C)C)cc1C	861582991	LMZAIIOHQFVTTM-UHFFFAOYSA-N	278.400	1.551	10	20	CDCD	
COCCOc1ccccc1NC[C@@H](O)CN1CCCC1	863556427	ROVLEGHVGKBTIH-CQSZACIVSA-N	294.395	1.580	10	20	CDCD	
CCN(Cc1cn(C)nn1)c1ccc(OC)c(OC)c1	761674246	XZKMXZFAYZWEBB-UHFFFAOYSA-N	276.340	1.859	10	20	CDCD	
C[C@@]1(O)CCN(Cc2ccc(N3CCOCC3)c(F)c2)C1	769544595	YYEZNRBNEHACCX-MRXNPFEDSA-N	294.370	1.619	10	20	CDCD	
Cc1cccc(O)c1CN1CCN(CC[S@@](C)=O)CC1	876762170	ASKIYESMHWRUNJ-HXUWFJFHSA-N	296.436	1.197	10	20	CDCD	
CCN(CC)C(=O)CCC(=O)N(C)c1ccc(N)cc1	877077447	IILXPCJZIHISPA-UHFFFAOYSA-N	277.368	1.880	10	20	CDCD	
C[C@H](O)CN(C)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	776250568	VUIRJDWYJISJRY-NWDGAFQWSA-N	279.384	1.836	10	20	CDCD	
O=C(NCCCSc1nccs1)C(=O)N1CCCC1	774184185	BEULKTBVCQTZSA-UHFFFAOYSA-N	299.421	1.364	10	20	CDCD	
O=C(NC[C@@H](O)c1cccnc1)c1cc(O)cs1	772499471	KVEIJXWAAGXSCB-SNVBAGLBSA-N	264.306	1.312	10	20	CDCD	
O=C1NCC2(CCN(Cc3ccccc3O)CC2)O1	783722829	ISSSQDRYOKIJPU-UHFFFAOYSA-N	262.309	1.467	10	20	CDCD	
NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)c1cc(O)cs1	788014861	ZJCSPEUSVBCIML-ZOFUNIGCSA-N	280.349	1.180	10	20	CDCD	
Cc1ccc(CN2C[C@H](O)C[C@@]2(C)CO)c(O)c1	895324458	KSTZPWGPKFIVHX-OCCSQVGLSA-N	251.326	1.018	10	20	CDCD	
O=C1CN(Cc2cc(F)cc(F)c2O)[C@H]2CCCC[C@@H]2N1	893984074	KQOIBAAZGYJPDK-STQMWFEESA-N	296.317	1.913	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)c1ccnn1CC(F)F	789995319	GRKZICXMDDTJDH-UHFFFAOYSA-N	297.261	1.489	10	20	CDCD	
CCc1nc(C(=O)OCC(=O)c2ccc(O)c(O)c2)co1	784781932	ITAGVWSZXXCGOU-UHFFFAOYSA-N	291.259	1.688	10	20	CDCD	
COc1ccc(CNC2([C@@H](C)O)CC2)c(O)c1OC	895442740	PYHWINIGDSTESS-SECBINFHSA-N	267.325	1.412	10	20	CDCD	
C[C@@H](C[C@@H]1CCOC1)NC(=O)c1cccc(O)c1O	790882933	SWWLMBUZFAPOFT-UWVGGRQHSA-N	265.309	1.643	10	20	CDCD	
CN(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	891253418	SJDQLENLNUZNGU-CQSZACIVSA-N	278.400	1.627	10	20	CDCD	
COc1ccc(CNC[C@]2(O)CCO[C@H]2C)c(O)c1OC	894118103	LDGSBUCIKCKOQY-ZUZCIYMTSA-N	297.351	1.039	10	20	CDCD	
CCn1cc(C(=O)NCc2ccc(OC)cc2O)cn1	794378926	GVYSSTXRKMRFGX-UHFFFAOYSA-N	275.308	1.547	10	20	CDCD	
CCOC(=O)C(C)(C)C(=O)NCc1ccc(OC)cc1O	794387716	KNCKNWSNQAHQON-UHFFFAOYSA-N	295.335	1.606	10	20	CDCD	
O=C(NC[C@@H]1CCC[C@H](O)C1)c1c(F)ccc(O)c1O	790071295	UWKBGCVMOKIJIC-BDAKNGLRSA-N	283.299	1.518	10	20	CDCD	
COc1ccc(CNC(=O)c2cc([N+](=O)[O-])c[nH]2)c(O)c1	794378555	VDFLZOMAKNYNJI-UHFFFAOYSA-N	291.263	1.567	10	20	CDCD	
COCCO[C@H]1CCCN(Cc2ccc(N)cc2)C1	1334773912	AYSVRIIXBRBYOU-HNNXBMFYSA-N	264.369	1.896	10	20	CDCD	
Nc1ccc(CC(=O)N2CCC3(CC2)CNC3)cc1	1521900750	SNOYFXVSTFTVQI-UHFFFAOYSA-N	259.353	1.023	10	20	CDCD	
Cc1cc(O)ccc1NS(=O)(=O)N1CCCCC1	80357958	JQJOIJFIOTZGRE-UHFFFAOYSA-N	270.354	1.843	10	20	CDCD	
CCN(CCS(C)(=O)=O)Cc1cccc(OC)c1O	93816144	XZTBAEYPYMJCTQ-UHFFFAOYSA-N	287.381	1.267	10	20	CDCD	
C[C@H]1CN(CCN(C)Cc2ccccc2O)C[C@@H](C)O1	193400240	FWYHVWUYZWIVFR-OKILXGFUSA-N	278.396	1.933	10	20	CDCD	
CCCCN(CC(N)=O)Cc1c(O)cccc1OC	768867157	FCFZOEFKKACWJQ-UHFFFAOYSA-N	266.341	1.488	10	20	CDCD	
CC[C@@H](C)[C@@H](O)CNC(=O)NCc1ccc(N)cc1	1335737516	QPOASTSQFSVFSW-MFKMUULPSA-N	265.357	1.475	10	20	CDCD	
CCn1c(N(C)Cc2ccccc2O)nnc1C(C)(C)O	1342665825	FDPOFJWVRMOQPC-UHFFFAOYSA-N	290.367	1.867	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)CNCC(C)C)c1	1349420285	IEIWVLSKNXATEO-NSHDSACASA-N	280.368	1.824	10	20	CDCD	
CC(C)[C@H](CO)NC(=O)NCc1ccc(N(C)C)cc1	1345506543	LDDPYKZITQXPBJ-AWEZNQCLSA-N	279.384	1.569	10	20	CDCD	
CCn1c(CCOC)nnc1N(C)Cc1ccccc1O	1521100918	PZJILGSQTQZMMH-UHFFFAOYSA-N	290.367	1.829	10	20	CDCD	
O=C(O)c1cnc(NCc2c(O)cccc2F)cn1	1602533686	NBPSQWDMAYVFBF-UHFFFAOYSA-N	263.228	1.632	10	20	CDCD	
CNCCNC(=O)c1ccccc1-n1c(C)cc(C=O)c1C	1578707319	MGVXAZWXMVWSTB-UHFFFAOYSA-N	299.374	1.856	10	20	CDCD	
C[C@H](CN)CNCc1cc(F)c(N(C)C)cc1F	1575987805	IENARZCUJMIQFT-SECBINFHSA-N	257.328	1.715	10	20	CDCD	
CN(Cc1ccccc1O)Cc1c(C(=O)O)cnn1C	1593760665	JENSVWRRHHYLJE-UHFFFAOYSA-N	275.308	1.456	10	20	CDCD	
CCOC(=O)/C=C\CN(C)c1ccc(OCC(=O)O)cc1	1596582538	DMQCKVCXPPKRJN-PLNGDYQASA-N	293.319	1.706	10	20	CDCD	
CN(C)c1ccc(CNCCOCCC(=O)O)cc1	1777040054	VBKNQXSMMVMDMX-UHFFFAOYSA-N	266.341	1.334	10	20	CDCD	
COc1ccc(N(C)C(=O)/C=C/c2cnn(C)c2C)cn1	161219041	CSEBDWFYAMMZEF-VMPITWQZSA-N	286.335	1.808	10	20	CDCD	
COCCN(CCOC)Cc1cc(C)cc(OC)c1O	163818081	PKKSVRDIZITIKF-UHFFFAOYSA-N	283.368	1.804	10	20	CDCD	
CCOc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1O	155025012	FWKVNFGKZGITTR-GFCCVEGCSA-N	278.352	1.488	10	20	CDCD	
COc1cccc(O)c1CNCC1CC2(C1)OCCO2	922800081	VAKUKDBDVMVDMD-UHFFFAOYSA-N	279.336	1.644	10	20	CDCD	
OCC1(CNCc2c(O)cccc2Cl)CCOCC1	130059502	UIURIGAPLIVFLV-UHFFFAOYSA-N	285.771	1.924	10	20	CDCD	
COc1ccc(O)c(CNCC2=CCN(C)CC2)c1	271821335	NAMZUGAOCIUXPS-UHFFFAOYSA-N	262.353	1.752	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)C[C@@H]1CCC[C@H]1N	294025461	GZGCVAHXEVVVED-WCQYABFASA-N	262.353	1.868	10	20	CDCD	
C[C@H]1SCC[C@@H]1NC(=O)c1cccc(O)c1O	310454733	CONJKHWLVGKLLO-APPZFPTMSA-N	253.323	1.722	10	20	CDCD	
CNC(=O)C[C@H](C)NCc1c(O)cccc1Cl	322860341	BKMQGMFDZWMATB-QMMMGPOBSA-N	256.733	1.660	10	20	CDCD	
CCNC(=O)C(C)(C)NCc1cc(F)cc(F)c1O	708453463	GVJVVKYWZIVFLY-UHFFFAOYSA-N	272.295	1.675	10	20	CDCD	
Oc1ccc(F)cc1CNCCCn1cncn1	381954586	XJRZEAYHOLCCDT-UHFFFAOYSA-N	250.277	1.303	10	20	CDCD	
OC[C@]1(NCc2ccc3c(c2)CCCO3)CCOC1	921994051	OTRWOYNTCMORGN-OAHLLOKOSA-N	263.337	1.253	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)c1cc(C2CC2)on1	178444349	ORFMRJQDBVTRGZ-UHFFFAOYSA-N	274.276	1.893	10	20	CDCD	
O=[N+]([O-])c1cc(Cl)cc(CN2CC[C@H](O)C2)c1O	305733842	PMWVJJNGNQBTBO-VIFPVBQESA-N	272.688	1.520	10	20	CDCD	
CN(C)S(=O)(=O)Nc1cc(Cl)c(O)cc1F	170270674	OSWWOJJUOTYYRE-UHFFFAOYSA-N	268.697	1.403	10	20	CDCD	
O=C(NCc1ccc([N+](=O)[O-])cc1)c1cccc(O)c1O	186985289	MCECDTXLPFURKB-UHFFFAOYSA-N	288.259	1.936	10	20	CDCD	
CCOCCCNC(=O)/C=C/c1ccc(O)c(O)c1	180589958	OXFOBGSXHXOAPX-FNORWQNLSA-N	265.309	1.654	10	20	CDCD	
CC(C)N(C)CC(=O)N[C@H](C)Cc1ccc(O)c(O)c1	183420527	CUADSFZGGKLHEX-LLVKDONJSA-N	280.368	1.485	10	20	CDCD	
COc1ccc(O)c(CN2CC[C@H](N)C[C@@H]2C)c1	131457472	WXSGRLGZVMKQLB-JQWIXIFHSA-N	250.342	1.712	10	20	CDCD	
Cc1cccc(N(C)C(=O)c2ccoc2CC(N)=O)c1	351819735	LNRPMPZAFIFJFT-UHFFFAOYSA-N	272.304	1.892	10	20	CDCD	
O=C(NC[C@@H]1CCOC1)c1c(F)ccc(O)c1O	276551206	HQSAQJKAGZRSMP-ZETCQYMHSA-N	255.245	1.003	10	20	CDCD	
Oc1ccc(-c2ccccc2)cc1CN1C[C@H](O)[C@@H](O)C1	278375603	LDUNBEABWGCGJP-IRXDYDNUSA-N	285.343	1.597	10	20	CDCD	
C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)[C@@H]1CCOC1	272654003	NLWLGJSXMKOLOV-VSEZHWFZSA-N	277.320	1.652	10	20	CDCD	
C[C@@H](NCc1cc([N+](=O)[O-])ccc1O)c1ncnn1C	276639816	HIXCCBICCYXWHP-MRVPVSSYSA-N	277.284	1.280	10	20	CDCD	
CCCOc1ccc(CN[C@@H]2CCC(=O)N[C@@H]2C)c(O)c1	282325743	LHKBBMCIQJTIJJ-BXUZGUMPSA-N	292.379	1.938	10	20	CDCD	
Oc1cccc2c1[C@H](NC[C@H]1CN3CCC[C@H]3CO1)CC2	386753999	FAAGUCOJEFLZBH-SOUVJXGZSA-N	288.391	1.832	10	20	CDCD	
COc1ccc(CNC(=O)OC[C@H]2CCCO2)c(O)c1	805085365	HBCBDAXNGLLVDD-GFCCVEGCSA-N	281.308	1.806	10	20	CDCD	
COCC1(NCc2cc(C)ccc2O)CCOCC1	814302307	RYOBUJHCLNUCNS-UHFFFAOYSA-N	265.353	1.986	10	20	CDCD	
CCn1nc(C)c(CNCc2cc3c(cc2O)OCO3)n1	818221700	SMYDLDBQFHYRLQ-UHFFFAOYSA-N	290.323	1.331	10	20	CDCD	
C[C@H](N)[C@H]1COCC[C@H]1NCc1ccc2c(c1)CCO2	817902295	MPNUGCOYAZZNAO-NILFDRSVSA-N	276.380	1.463	10	20	CDCD	
Cc1ccc(C(=O)N2CCCC[C@H]2C(=O)O)c(O)c1O	821064095	RJQWCZBUCCKTKF-JTQLQIEISA-N	279.292	1.486	10	20	CDCD	
C[C@@H](O)CCN(C)c1ccc(/C=C/C(=O)O)cc1[N+](=O)[O-]	827795900	FYQDNPGTFMRHHY-DFVUYQKZSA-N	294.307	1.900	10	20	CDCD	
C[C@H](N[C@H](C)c1ccc(N2CCOCC2)cc1)C(=O)O	737689532	JVTHCELOBPUVSB-NEPJUHHUSA-N	278.352	1.647	10	20	CDCD	
Cc1cc(O)c(CNCCN2CCNCC2)cc1C	841043883	YLRRGLSCNQUWST-UHFFFAOYSA-N	263.385	1.004	10	20	CDCD	
O=[N+]([O-])c1cc(Cl)cc(CN2CCCNCC2)c1O	843046978	BYVAMBZNKLHIDK-UHFFFAOYSA-N	285.731	1.749	10	20	CDCD	
CS(=O)(=O)C1CN(Cc2ccc3ccccc3c2O)C1	841887509	QXOWKNMAUJYAIV-UHFFFAOYSA-N	291.372	1.774	10	20	CDCD	
CN1CCCc2cc(CNC(=O)NC(C)(C)CN)ccc21	841760035	RPPSMGAFNXRGQJ-UHFFFAOYSA-N	290.411	1.606	10	20	CDCD	
CC[C@@H]1OCC[C@H]1NC(=O)NCCc1ccc(N)cc1	841916280	SIGSQPHDJUQKKJ-KGLIPLIRSA-N	277.368	1.678	10	20	CDCD	
C[C@H]1CN(Cc2cc3c(cc2O)OC[C@H]3O)C[C@@H](C)N1C	840090218	NIKDBIBRMAUZCL-JRPNMDOOSA-N	292.379	1.342	10	20	CDCD	
CCC[C@@](C)(CO)NC(=O)NCCc1ccc(N)cc1	841958070	NZDBFRNYYJURFS-HNNXBMFYSA-N	279.384	1.662	10	20	CDCD	
C[C@@H]1CCN(Cc2cc3c(cc2O)OCO3)C[C@@H]1CO	857061742	UUAKSLZIXGZNLN-ZYHUDNBSSA-N	279.336	1.571	10	20	CDCD	
C[C@@H]1CN(CCNC(=O)Cc2ccc(N)cc2)[C@H](C)CO1	852847865	YPVJVJMPDKDTOK-CHWSQXEVSA-N	291.395	1.037	10	20	CDCD	
CC(=O)N1CC[C@@H](N[C@@H](C)c2cc([N+](=O)[O-])ccc2O)C1	857083898	AJMFZNDZUNOHAX-GXSJLCMTSA-N	293.323	1.572	10	20	CDCD	
C[C@H]1CN(C(=O)c2c(F)ccc(O)c2O)C[C@@]1(C)CO	857335007	OZOYSXZULKWEKU-RTHLEPHNSA-N	283.299	1.327	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)c2ccnnc2C)c1	753788987	RLMRXQYSMMALOI-VIFPVBQESA-N	287.319	1.990	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@H]2CCCCN2C)c1	862757191	KQUVFBVEYQYITL-CYBMUJFWSA-N	262.353	1.801	10	20	CDCD	
Cc1ccc(CNCCCC(=O)N(C)C)c(O)c1	876979873	SCNBSUMUSSZNFN-UHFFFAOYSA-N	250.342	1.659	10	20	CDCD	
COc1cccc(CNC(=O)CN2[C@H](C)CC[C@H]2C)c1O	769507250	BEGUJVRWRDVEOZ-VXGBXAGGSA-N	292.379	1.890	10	20	CDCD	
CNC(=O)[C@@H]1CCC[C@@H]1NCc1ccc(C)cc1O	877120739	UPTYAZKEIBYAMV-OLZOCXBDSA-N	262.353	1.705	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)c1ccnc(O)c1	778914920	OVAYGRNPJKZAJG-UHFFFAOYSA-N	260.249	1.128	10	20	CDCD	
CCOC(=O)C[C@@H](C)NC(=O)/C=C/c1ccc(O)c(O)c1	779532868	ULAGERLGTVYLQL-BREXMAIKSA-N	293.319	1.569	10	20	CDCD	
Cc1cc(=O)c(C(=O)NCc2ccc(O)c(O)c2)c[nH]1	778927904	VXXMMFIYWMYAIO-UHFFFAOYSA-N	274.276	1.025	10	20	CDCD	
C[C@H](Nc1cc(C(N)=O)ncn1)c1ccc(N(C)C)cc1	882203024	LNKVZNLAZGISGF-JTQLQIEISA-N	285.351	1.815	10	20	CDCD	
Cc1cc(NCc2cc(F)cc(F)c2O)n(CCO)n1	882962509	VNOHUGNPDNVSBD-UHFFFAOYSA-N	283.278	1.780	10	20	CDCD	
COC[C@@H](NCc1cc(F)cc(F)c1O)[C@@H]1CCCO1	883106187	KSTFIWOHHKBVGG-OLZOCXBDSA-N	287.306	1.954	10	20	CDCD	
Cc1cc(O)c(CN2C[C@@H](O)C[C@@]2(C)CO)cc1C	895327878	DZTUFHNHOVGCQR-ZFWWWQNUSA-N	265.353	1.327	10	20	CDCD	
O=C(COC(=O)c1cc[nH]c1)c1ccc(O)c(O)c1	784020804	KXWDMYLTTAZEDI-UHFFFAOYSA-N	261.233	1.466	10	20	CDCD	
Cc1ccc(CNCCO[C@H]2CCOC2)c(O)c1	897199507	HURGKBYYTZPBKS-ZDUSSCGKSA-N	251.326	1.596	10	20	CDCD	
CC(=O)N1CC[C@H](CN(C)C(=O)c2cccc(O)c2O)C1	1326766538	WVYUTMZEPKNMLY-LLVKDONJSA-N	292.335	1.038	10	20	CDCD	
Cc1nn(C)cc1CCC(=O)NCCc1ccc(N)cc1	1326049015	XJAYHSDOJJUQSD-UHFFFAOYSA-N	286.379	1.602	10	20	CDCD	
CC[C@@H](NC[C@H](C)S(C)(=O)=O)c1ccccc1O	697579822	OIZLBUXYXLFFQB-CMPLNLGQSA-N	271.382	1.866	10	20	CDCD	
COc1ccc(CN[C@H]2CCC(=O)N(C)C2=O)cc1C	90027613	PGYAUKQVBBVISU-LBPRGKRZSA-N	276.336	1.241	10	20	CDCD	
CC(C)(C)NCC(=O)N(CC(=O)O)Cc1ccccc1O	1339617240	PKHLKIFQQHXPRC-UHFFFAOYSA-N	294.351	1.194	10	20	CDCD	
COc1ccc(N(C)C[C@H]2CN(C)C(=O)O2)cc1F	1261237077	GORMBDMITRKEJM-JTQLQIEISA-N	268.288	1.721	10	20	CDCD	
CO[C@](C)(C(=O)NCc1cccc(O)c1O)C1CC1	1348048441	TUEKYRHQRZJDIO-AWEZNQCLSA-N	265.309	1.529	10	20	CDCD	
O=C(NCc1cccc(Cl)c1O)[C@H]1C[C@H]1C(=O)O	1601541304	MLMFVEZJLGGZDG-JGVFFNPUSA-N	269.684	1.383	10	20	CDCD	
Cc1oc(C(=O)O)cc1C(=O)NCc1cc(O)ccc1O	1608036121	HXZDXZDEKSJGGH-UHFFFAOYSA-N	291.259	1.627	10	20	CDCD	
CC1(C)C[C@]1(C(=O)O)C(=O)NCc1ccc(O)c(O)c1	1603320712	LVDWJBFOKOKOSB-CQSZACIVSA-N	279.292	1.215	10	20	CDCD	
CCCCN(Cc1ccccc1O)C[C@@](C)(O)C(=O)O	1609970198	DNJUALYZIJIIMS-OAHLLOKOSA-N	281.352	1.830	10	20	CDCD	
CCCC[C@H](CN)NC(=O)c1ccc(C)c(O)c1O	1577397254	SPGDNUMPHCADHG-SNVBAGLBSA-N	266.341	1.654	10	20	CDCD	
CC(=O)C(=O)CSc1cccc(-c2nn[nH]n2)c1	1588781905	KTONXYFDQVXUDB-UHFFFAOYSA-N	262.294	1.117	10	20	CDCD	
COc1cccc(CNC2CC(CC(=O)O)C2)c1O	1599673700	HVBPPSQUINZFJP-UHFFFAOYSA-N	265.309	1.744	10	20	CDCD	
COC[C@](C)(NCc1cc(F)cc(C(C)=O)c1O)C(=O)O	1599153950	ONRHKAGFFLUUBZ-AWEZNQCLSA-N	299.298	1.313	10	20	CDCD	
C[C@]1(CNCc2cc([N+](=O)[O-])ccc2O)CCCO1	152921446	CXAQTTUSHIRFSW-CYBMUJFWSA-N	266.297	1.959	10	20	CDCD	
O=C1NCCCC[C@@H]1NCc1cc(F)ccc1O	226584387	DVLROQNUOGMVHB-NSHDSACASA-N	252.289	1.290	10	20	CDCD	
COC(=O)[C@H]1CCCCN1C(=O)Cc1ccc(N)cc1	37804348	VXDMYCJQCLMGPD-CYBMUJFWSA-N	276.336	1.365	10	20	CDCD	
COCC1(NC(=O)c2cccc(O)c2O)CCC1	285700709	BVFYFHOOJVRYKA-UHFFFAOYSA-N	251.282	1.397	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](N)CC(F)F	383794600	NGDDVYINARVCSQ-GFCCVEGCSA-N	285.338	1.694	10	20	CDCD	
CN1CCCc2cc(CNC(=O)[C@@H]3CCOC3)ccc21	69959926	OXNIMEBKOPYJKN-CQSZACIVSA-N	274.364	1.722	10	20	CDCD	
CCNC(=O)CCC(=O)NCc1ccc(N(C)C)cc1C	115490284	AHRQQQAUSQCFAZ-UHFFFAOYSA-N	291.395	1.594	10	20	CDCD	
COCC(C)(C)NC(=O)/C=C/c1ccc(O)c(O)c1	181025169	XHABIEUXPIBWKV-FNORWQNLSA-N	265.309	1.652	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2Cc1cc[nH]n1	154915218	NNWICAJFADYZTE-UHFFFAOYSA-N	258.325	1.875	10	20	CDCD	
C[C@H](Cn1ccnc1)NC(=O)c1cccc(O)c1O	126308236	JDQDMAGOXCLXBP-SECBINFHSA-N	261.281	1.113	10	20	CDCD	
COc1ccc(N2CCN(C(=O)[C@@H](C)[C@H](C)N)CC2)cc1	133709805	SWHKACLGBRNIDO-STQMWFEESA-N	291.395	1.327	10	20	CDCD	
COc1cccc(CNCCS(=O)(=O)C(C)C)c1O	290172506	MYYBWETXTBFTQL-UHFFFAOYSA-N	287.381	1.314	10	20	CDCD	
CCOc1cccc(CN2CCC(NC(C)=O)CC2)c1O	92669601	NCTZUEAWRUTQIE-UHFFFAOYSA-N	292.379	1.891	10	20	CDCD	
O=C1NC(=S)S/C1=C/c1cccc2nccn12	255137839	PZDQVYHQKRPADC-SOFGYWHQSA-N	261.331	1.823	10	20	CDCD	
C[C@H](NCC1(O)CCN(C)CC1)c1ccc(N(C)C)cc1	269081579	ZQFRSMVDCINLPH-AWEZNQCLSA-N	291.439	1.860	10	20	CDCD	
O=C1CC(C(=O)NCc2cccc(Br)c2O)C1	277477930	ILOHBKZRYZKKHP-UHFFFAOYSA-N	298.136	1.750	10	20	CDCD	
COC(=O)[C@@H]1COCCN1Cc1cccc(Cl)c1O	271707955	GEJGEXFUPABHPN-NSHDSACASA-N	285.727	1.419	10	20	CDCD	
OC[C@H](CNCc1ccccc1O)[C@H]1CCOC1	280365651	UHGUOKXJYIKVFY-STQMWFEESA-N	251.326	1.127	10	20	CDCD	
Oc1ccc(F)cc1CN[C@H]1CCO[C@@]2(CCOC2)C1	373143296	WSJIKSSHOUMUGV-ZFWWWQNUSA-N	281.327	1.959	10	20	CDCD	
CCc1nnc(CNC(=O)c2c(F)ccc(O)c2O)s1	296078123	PBOYLNTUDJPWTL-UHFFFAOYSA-N	297.311	1.581	10	20	CDCD	
CCOc1ccc(CN(C)CCOCCO)c(O)c1	800547301	XIAZETBEGLXODS-UHFFFAOYSA-N	269.341	1.232	10	20	CDCD	
COc1ccc(O)c(CN[C@@]2(C)CCOC2=O)c1	290772392	CFRGKWNTACSVHS-ZDUSSCGKSA-N	251.282	1.196	10	20	CDCD	
CN(C)CCN(C)CCCNC(=O)c1cc(O)cs1	811542552	BFPBWWCBHWSDQL-UHFFFAOYSA-N	285.413	1.067	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)N[C@H]2CCCNCC2)c1	817969589	XVNCDPZIMIPTTI-YPMHNXCESA-N	292.379	1.972	10	20	CDCD	
Cc1ccc([C@@H](C)NC[C@@H]2CNCCCO2)c(O)c1	817981025	GCVNMVAFMUWHPA-OLZOCXBDSA-N	264.369	1.730	10	20	CDCD	
CCOc1ccc(CN2CCC(O)(CO)CC2)c(O)c1	827147862	XIXSJFVPNHTXQP-UHFFFAOYSA-N	281.352	1.110	10	20	CDCD	
CNCCC(=O)N[C@@H](C)c1cc(OC)ccc1O	828667904	WFMHBSIWFUHSQJ-VIFPVBQESA-N	252.314	1.188	10	20	CDCD	
COc1ccc(N2CCC(NC(=O)C[C@@H](C)N)CC2)cc1	828352707	CDHANPBDNGNOAO-GFCCVEGCSA-N	291.395	1.518	10	20	CDCD	
COc1cncnc1NC(=O)N(C)Cc1ccccc1O	821434693	DZJCMAJKKDJSIC-UHFFFAOYSA-N	288.307	1.855	10	20	CDCD	
O=C(O)[C@@H]1C[C@H]1C(=O)NCc1ccc(N2CCCC2)cc1	739547656	NBTNOBKCTUVLAI-ZIAGYGMSSA-N	288.347	1.624	10	20	CDCD	
COc1ccc(O)c(CNC(=O)C23CC(C(=O)O)(C2)C3)c1	911386967	LAJYVLSQJMSJDY-UHFFFAOYSA-N	291.303	1.272	10	20	CDCD	
CC[C@@H]1C[C@H](C(=O)NCc2ccc(O)cc2O)CCO1	910949601	LOZKLXISHGHYFD-ZWNOBZJWSA-N	279.336	1.919	10	20	CDCD	
NCC[C@@H](NCc1ccc2c(c1)CCO2)C(F)(F)F	841090211	GXIRIYGUFFUWPF-GFCCVEGCSA-N	274.286	1.991	10	20	CDCD	
COc1ccc(N(C)CCN(C)Cc2ccnn2C)cc1	844400936	IQODPJSHQFFRKE-UHFFFAOYSA-N	288.395	1.997	10	20	CDCD	
O=C(NCc1ccccc1O)C(=O)Nc1cccnc1	748481217	IGDVAFODJGYQRE-UHFFFAOYSA-N	271.276	1.042	10	20	CDCD	
Nc1ccc(NC(=O)N[C@H]2CC(=O)N(C3CC3)C2)cc1	841300393	QYSTVEJOHCJTDB-NSHDSACASA-N	274.324	1.154	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2CC[C@@](C)(CN)C2)c1O	843116219	VWUPRWCIVNWRHO-AWEZNQCLSA-N	295.339	1.480	10	20	CDCD	
CC(C)[C@@H](C(=O)O)C(=O)NCc1ccc(N(C)C)cc1	843339241	JRQGJTQLRSHOPG-CYBMUJFWSA-N	278.352	1.726	10	20	CDCD	
Cc1cc(C(=O)N2CCOCN2)c(C)n1-c1ccccn1	928954031	UXOBYAOJOBPKDA-UHFFFAOYSA-N	286.335	1.424	10	20	CDCD	
COc1cccc([C@H](C)N[C@@H](C)C(=O)N(C)OC)c1O	858580094	KHRXAUDGMDJSGW-UWVGGRQHSA-N	282.340	1.460	10	20	CDCD	
CC(C)N1CCC[C@H]1C(=O)NCCc1ccc(O)c(O)c1	934939164	OSKUIVQHSWCJCL-ZDUSSCGKSA-N	292.379	1.629	10	20	CDCD	
COc1ccc(O)c(CNC(=O)CN(C)C2CCC2)c1	863873494	GRSMCQUZSOKVCP-UHFFFAOYSA-N	278.352	1.501	10	20	CDCD	
C[C@@H]1CSCCN1Cc1cc2c(cc1O)OC[C@H]2O	768444696	BHJZTESRXPMGTH-NOZJJQNGSA-N	281.377	1.755	10	20	CDCD	
CS[C@H](CO)[C@H](C)NCc1ccc(C)cc1O	877048648	NRAZQAPSEHQUMZ-GXFFZTMASA-N	255.383	1.903	10	20	CDCD	
CC[C@H]1COCCN1CCNCc1ccc2c(c1)CCO2	873189029	NFQBRPLCROECHP-INIZCTEOSA-N	290.407	1.822	10	20	CDCD	
CCN1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)C[C@H]1C	779542257	OBMMSNUZEMBFBU-SMYYYNMVSA-N	290.363	1.664	10	20	CDCD	
CN(C)c1ccc(CN2C[C@H]3CNC[C@@H]3C2)cc1F	770394985	OHZASDKXAPXTDX-CHWSQXEVSA-N	263.360	1.543	10	20	CDCD	
CN1CCCC[C@H]1CNC(=O)c1cc(O)cs1	1120810680	UNLNJHIPHSMJJF-VIFPVBQESA-N	254.355	1.668	10	20	CDCD	
COc1cc(C)cc(CNCCC2(O)CCOCC2)c1O	894741547	PUQGYEKBPLDVIR-UHFFFAOYSA-N	295.379	1.730	10	20	CDCD	
CO[C@@H](C)CN(C)CC(=O)NCc1ccc(N(C)C)cc1	796640989	QQCYWVMSYHHVFW-ZDUSSCGKSA-N	293.411	1.336	10	20	CDCD	
CO[C@H](C)CN(C)Cc1cc2c(cc1O)OC[C@H]2O	795748598	DAKNYLGHUHZPMR-NOZJJQNGSA-N	267.325	1.285	10	20	CDCD	
O=C1N[C@@H](c2cc(O)ccc2O)Nc2ccccc21	1319135128	CHKXDVCRNGPXRI-ZDUSSCGKSA-N	256.261	1.952	10	20	CDCD	
CO[C@@H]1CCC[C@H]1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	1337213419	WDAJJADPFMJETI-IXPVHAAZSA-N	293.363	1.960	10	20	CDCD	
COc1ccc(O)c(CN2CCC[C@@H](C)[C@H]2CN)c1	70175457	KIRIKKWBIQMVND-BXUZGUMPSA-N	264.369	1.960	10	20	CDCD	
C[C@@H]1CCN(C(=O)NCc2ccc(N)cc2)[C@H](CN)C1	1338793071	KFPZTJRSEAVHJI-RISCZKNCSA-N	276.384	1.538	10	20	CDCD	
CCc1cccc(CN2CCN(C(=O)NC)CC2)c1O	722193119	HVIUOFOMCXTSCM-UHFFFAOYSA-N	277.368	1.412	10	20	CDCD	
Cc1ccc(C(=O)NCc2nc(C)c(C)o2)c(O)c1O	1348792601	KTVGGRSNEWXRQA-UHFFFAOYSA-N	276.292	1.941	10	20	CDCD	
CCN(C)C(=O)COc1ccc(N(C)C)c(C(=O)O)c1	1605406589	AULPMVHIOXIDTC-UHFFFAOYSA-N	280.324	1.308	10	20	CDCD	
Cc1cc(O)c(CNC[C@@]2(C(=O)O)CCOC2)c(Cl)c1	1600286150	MAIUULYRNNULGW-AWEZNQCLSA-N	299.754	1.935	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)Nc1ncnn1C	161691953	CHMRXIQFMFEOHV-UHFFFAOYSA-N	289.339	1.965	10	20	CDCD	
CN(C)[C@@H](CNC(=O)Cc1ccc(N)cc1)C1CC1	165603730	HTTFBHKXJAAULY-AWEZNQCLSA-N	261.369	1.268	10	20	CDCD	
COc1cccc(O)c1CN1C[C@@H](C)N[C@H](C)C1	843049158	GZHYWHFLGXZGQM-GHMZBOCLSA-N	250.342	1.583	10	20	CDCD	
COc1cccc(O)c1CN1CC[C@H](CS(C)(=O)=O)C1	814175505	JRMCZVDSTLDINY-NSHDSACASA-N	299.392	1.267	10	20	CDCD	
C[C@H](O)CC(C)(C)CNC(=O)Cc1ccc(N)cc1	160947490	XFXYVERHFBMZHO-NSHDSACASA-N	264.369	1.725	10	20	CDCD	
Cc1ccc(O)c([C@H](C)N[C@@H]2CCN(S(C)(=O)=O)C2)c1	400218475	WDCXXSPEZJINCP-NWDGAFQWSA-N	298.408	1.385	10	20	CDCD	
CC[C@@H]1CN(C(=O)c2cccc(O)c2O)[C@H](C)CO1	403828480	AGAORSDLGHRMAV-NXEZZACHSA-N	265.309	1.737	10	20	CDCD	
CCOC[C@@H]1CN(Cc2ccc(N)cc2)CCO1	705863830	MPVPHCKHDVFYRL-AWEZNQCLSA-N	250.342	1.506	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@H](C(C)C)N(C)C)c1	114540857	AOQVSVOPBIXELX-AWEZNQCLSA-N	280.368	1.603	10	20	CDCD	
Cc1c(/C=C/C(=O)N2CCOc3ncccc32)cnn1C	126872172	DEEKRDXRLXIFCB-AATRIKPKSA-N	284.319	1.562	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)c1n[nH]nc1C	189283128	CDCBNCQWGNJZAJ-UHFFFAOYSA-N	274.324	1.871	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)[C@H]1C[C@@]12CCOC2	363799275	SKDZKIJRHSDCAZ-IAQYHMDHSA-N	277.320	1.183	10	20	CDCD	
C[C@@H](O)CCN(C)CC(=O)NCc1ccc(N(C)C)cc1	72713872	FZNOIJGYXZEYHR-CYBMUJFWSA-N	293.411	1.072	10	20	CDCD	
Cc1n[nH]nc1C(=O)NCc1ccc(N(C)C)cc1	188458292	LFSSLPJTTLNHCW-UHFFFAOYSA-N	259.313	1.109	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1CCOC1	47068434	GZJKEZBSUQKXEH-CQSZACIVSA-N	291.395	1.931	10	20	CDCD	
C[C@H]1C[C@@H](NC(=O)c2cccc(O)c2O)CCO1	229417025	CFEIRHXPQZJZER-IUCAKERBSA-N	251.282	1.395	10	20	CDCD	
C[C@H]1CS(=O)(=O)C[C@H]1NCc1ccc(N(C)C)cc1	288640672	UHVYLGDNIURZRX-SMDDNHRTSA-N	282.409	1.275	10	20	CDCD	
C[C@@H](N)[C@@H](C)C(=O)N1CCOc2cc(N(C)C)ccc21	192124451	DFQBCRJBBXOKLG-GHMZBOCLSA-N	277.368	1.461	10	20	CDCD	
Cc1nn(C)c(C)c1NC(=O)Cc1ccc(N)cc1	40313257	TYOLOFZWPXWSFH-UHFFFAOYSA-N	258.325	1.800	10	20	CDCD	
CCN(Cc1cccc(OC)c1O)[C@@H]1CCS(=O)(=O)C1	179598574	OOMDRDSJLLGFJN-GFCCVEGCSA-N	299.392	1.410	10	20	CDCD	
O=C(N[C@H]1CCc2[nH]ncc2C1)c1cccc(O)c1O	193069222	YYBHMFMEVCGKRH-VIFPVBQESA-N	273.292	1.108	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2cn[nH]c2)cc1F	195019222	XDFARWODRXBBIF-UHFFFAOYSA-N	262.288	1.545	10	20	CDCD	
CC(C)(C)CS(=O)(=O)NCCc1ccc(N)cc1	80186866	ZHSSENXZNWEMJA-UHFFFAOYSA-N	270.398	1.777	10	20	CDCD	
Nc1ccc(CC(=O)NCC2(N)CCCCC2)cc1	294811741	QJOPAKOQYKGLSU-UHFFFAOYSA-N	261.369	1.589	10	20	CDCD	
COCCN(Cc1cc(Cl)ccc1O)[C@H](C)C(N)=O	93138142	YDWJMUGXOHAUMZ-SECBINFHSA-N	286.759	1.368	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)NCCN(C)C1CC1	264919531	YYVMXFQENOSTOR-UHFFFAOYSA-N	277.368	1.628	10	20	CDCD	
C[C@H](CN1CCCCC1)NC(=O)c1c(F)ccc(O)c1O	276499063	BVZMQDBJONVOEY-SNVBAGLBSA-N	296.342	1.841	10	20	CDCD	
CCN(CC(N)=O)Cc1ccc(N(C)C)c(F)c1	276399210	CWQGEELTQLCMRT-UHFFFAOYSA-N	253.321	1.199	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)NCc2cncn2C)c1	289735766	KGIUSKPGWBLSJM-JTQLQIEISA-N	289.335	1.763	10	20	CDCD	
Cc1cc(C)c(O)c(CN(C)Cc2nncn2C)c1	808215326	OOGKZPSONXREBX-UHFFFAOYSA-N	260.341	1.770	10	20	CDCD	
CCOC1CN(Cc2cc3c(cc2O)OCO3)C1	297487931	SXBBKYITDNBUMT-UHFFFAOYSA-N	251.282	1.342	10	20	CDCD	
CC(=O)c1cc(F)cc(CN[C@@]2(C)CCOC2=O)c1O	810093742	NHSXFTGYQWDUQX-AWEZNQCLSA-N	281.283	1.529	10	20	CDCD	
CC[C@H](NC[C@H](N)c1ccc(N(C)C)cc1)[C@@H]1CCCN1	817940700	GWNYWVVTAPYWBD-ULQDDVLXSA-N	290.455	1.873	10	20	CDCD	
C[C@@H](NCCN)c1ccc(N2CCOCC2)cc1Cl	817934944	RERXVCVPWDCOJN-LLVKDONJSA-N	283.803	1.786	10	20	CDCD	
Cn1cnc(/C=C/C(=O)N2C[C@@H](CO)Cc3ccccc32)c1	820019811	PKXXQXBPALGPKN-YBJDMEARSA-N	297.358	1.631	10	20	CDCD	
CN1CCCc2cc(CNC(=O)[C@H](N)CC(F)F)ccc21	827913884	RICAVYNITDDPCL-GFCCVEGCSA-N	297.349	1.668	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CO[C@H](C)C2)c1	827612843	OYBAWDGVLGQPDY-OUAUKWLOSA-N	294.351	1.938	10	20	CDCD	
COc1ccc(CN[C@@H](C(=O)O)[C@@H]2CCCOC2)cc1C	901834794	YLHJIYMLETYCPF-UKRRQHHQSA-N	293.363	1.973	10	20	CDCD	
CNC(=O)C[C@@H](C)NC(=O)NCc1ccc(N(C)C)cc1	836237482	GIYQGGWRESGALK-LLVKDONJSA-N	292.383	1.076	10	20	CDCD	
O=C(O)NCCC(=O)NCc1c(O)ccc2c1CCCC2	832599625	WACKBSVBALIBOF-UHFFFAOYSA-N	292.335	1.545	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCN(C(=O)C2CC2)CC1	732257611	VKHNXBZMNWTTOU-UHFFFAOYSA-N	280.349	1.148	10	20	CDCD	
CC[C@@H](C)C(=O)N(CC(=O)O)Cc1ccccc1O	911484505	CQENKDRYVBXVSF-SNVBAGLBSA-N	265.309	1.852	10	20	CDCD	
O=C(NCc1ccccc1CO)c1cc(O)cs1	732275323	IZABYDPLLOVXDS-UHFFFAOYSA-N	263.318	1.876	10	20	CDCD	
O=C(Cn1cc(C2CC2)cn1)NCc1ccccc1O	830526296	ITHLTUJOYNESBD-UHFFFAOYSA-N	271.320	1.783	10	20	CDCD	
C[C@H]1NCCC[C@H]1NCc1ccc(N2CCOCC2)cc1	841063976	CYTJNBLIKSPARU-RHSMWYFYSA-N	289.423	1.753	10	20	CDCD	
COc1cc(C)cc(CN(C)CC(=O)N(C)C)c1O	916568165	KLDMNDKKGSPTAL-UHFFFAOYSA-N	266.341	1.229	10	20	CDCD	
COC(=O)[C@@H]1CN(Cc2cc(Cl)ccc2O)C[C@H](C)O1	846059778	IVKBBQOQABLQMZ-ZANVPECISA-N	299.754	1.808	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)NCc2ccon2)c1	747515301	WQIPQCHHCUWDED-SECBINFHSA-N	291.307	1.949	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CC[C@@H]3NCC[C@H]3C2)c1O	843385991	GJGSTYYHBCFERE-NHYWBVRUSA-N	292.354	1.918	10	20	CDCD	
C[C@H]1OCC[C@@H]1C(=O)NCc1ccc(O)cc1O	910949335	JKZNODMWOMEFKB-KCJUWKMLSA-N	251.282	1.139	10	20	CDCD	
C[C@@H]1CNCCN1Cc1ccc(N2CCOCC2)c(F)c1	843047500	QSHIQBGLJFUIOL-CYBMUJFWSA-N	293.386	1.456	10	20	CDCD	
C[C@H]1CC[C@H](C)N1CC(=O)NCc1ccc(O)cc1O	910951835	WAIDOGAVHIQWLH-QWRGUYRKSA-N	278.352	1.587	10	20	CDCD	
CN(CCO)c1ccc(/C=C/C(=O)O)cc1[N+](=O)[O-]	746988528	QJBZKPQCCCXDNN-HWKANZROSA-N	266.253	1.121	10	20	CDCD	
COc1cccc(O)c1CN[C@@H]1CCCN[C@@H]1C	841065894	UULGWIRFGQTVCZ-ZYHUDNBSSA-N	250.342	1.631	10	20	CDCD	
CCOc1ccc(O)c(CN2CCC(N)CC2)c1	843047615	QOPXCTPVQOHKLK-UHFFFAOYSA-N	250.342	1.714	10	20	CDCD	
C[C@H](NC(=O)N(C)C1CC(N)C1)c1ccc(N(C)C)cc1	841882427	YXMGYFDCIBHHBC-ZOODHJKOSA-N	290.411	1.945	10	20	CDCD	
CCOCc1cc(CN[C@H]2CCNC2)ccc1OC	841045551	XZLSPARTLFFLHU-AWEZNQCLSA-N	264.369	1.683	10	20	CDCD	
CC(C)NS(=O)(=O)NCc1cc(Cl)ccc1O	845995957	KDXBFKJYBWXRNK-UHFFFAOYSA-N	278.761	1.378	10	20	CDCD	
C[C@H](C(=O)NCc1cc(Cl)ccc1O)S(C)(=O)=O	846473155	PUZUWSYQWGJNIP-SSDOTTSWSA-N	291.756	1.095	10	20	CDCD	
CN(CCN1CCOC1=O)c1ccc2c(c1)OCO2	756653166	BQWISEDXHBZUQY-UHFFFAOYSA-N	264.281	1.304	10	20	CDCD	
C[C@@H]1CCN(C(=O)c2c(F)ccc(O)c2O)C[C@@H]1CO	857361180	MTOGFOKHQVHNQW-RKDXNWHRSA-N	283.299	1.327	10	20	CDCD	
Cc1ccc(C(=O)OCCCN2CCOCC2)c(O)c1O	750883825	LDGBKNUSIXRHFO-UHFFFAOYSA-N	295.335	1.285	10	20	CDCD	
OCC1(CNCc2ccc3c(c2)CCCO3)CCOCC1	921926303	VDIUHXWSPQATQS-UHFFFAOYSA-N	291.391	1.890	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN[C@@H]1CCOC[C@H]1O	862533123	NQGYVUYRXFKAQS-HUUCEWRRSA-N	264.369	1.300	10	20	CDCD	
CN(C)c1cc(F)c(CN(C)C2(CO)CC2)cc1F	862418703	RGRBOJLKHALJLA-UHFFFAOYSA-N	270.323	1.988	10	20	CDCD	
COc1cccc(CNCc2c(O)nnc(C)c2C)c1O	1116488615	RWBGJBPSBWAPAK-UHFFFAOYSA-N	289.335	1.803	10	20	CDCD	
COC(=O)[C@@H](NCc1cc(Cl)cc(F)c1O)[C@@H](C)O	1119519349	IJLKHXNPUFXIJJ-LDWIPMOCSA-N	291.706	1.197	10	20	CDCD	
CO[C@@H]1CN(Cc2cc(F)cc(C(C)=O)c2O)CCO1	878966769	NANXBXLNWVHDCA-ZDUSSCGKSA-N	283.299	1.539	10	20	CDCD	
CC[C@@H](NCc1cc(F)c(N(C)C)cc1F)C(=O)O	1118920072	JYYONULYPPENAA-LLVKDONJSA-N	272.295	1.984	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cncs1	773768551	KCTSJQZYIRECIV-QMMMGPOBSA-N	278.333	1.915	10	20	CDCD	
CS[C@@H](C)CC(=O)NCc1cccc(O)c1O	1123889212	NRQBUWYXLHAXSE-QMMMGPOBSA-N	255.339	1.856	10	20	CDCD	
CCC[C@@H](NC(=O)c1ccc(C)c(O)c1O)C(=O)OC	781015332	VETJLOHNYIPVBT-SNVBAGLBSA-N	281.308	1.478	10	20	CDCD	
COc1cc(C)cc(CN[C@@H]2COCC[C@H]2OC)c1O	897889669	XMUJEYMKNZYZEG-CHWSQXEVSA-N	281.352	1.603	10	20	CDCD	
COc1cc(C)cc(CN2CCN(C(C)=O)C[C@H]2C)c1O	894034232	MZNBTVUMXYTKOY-GFCCVEGCSA-N	292.379	1.762	10	20	CDCD	
C[C@@H]1NC(=O)[C@H](C)N(Cc2ccc(N(C)C)cc2)[C@@H]1C	895114562	MOWQATDBZOKKQN-XQQFMLRXSA-N	275.396	1.850	10	20	CDCD	
COc1ccc(CNS(=O)(=O)CC(C)C)c(O)c1	795357965	VBMUCPKMGXLDKE-UHFFFAOYSA-N	273.354	1.476	10	20	CDCD	
COC(=O)[C@@H](CC(C)C)NC(=O)Cc1ccc(N)cc1	37019566	UBSMZDVCGIMFKR-CYBMUJFWSA-N	278.352	1.515	10	20	CDCD	
CO[C@@H]1CN[C@](C)(C(=O)N[C@H](C)c2ccccc2O)C1	877256310	RWRAECOVKOGFTJ-ZETOZRRWSA-N	278.352	1.336	10	20	CDCD	
CCc1cccc(CN2CCC(OCC(N)=O)CC2)c1O	1327721532	MCKBZLIKSBWINA-UHFFFAOYSA-N	292.379	1.421	10	20	CDCD	
Cc1ccc([C@H](C)NCc2nnnn2C2CC2)c(O)c1	756734163	VDZJIOIEZIECDE-JTQLQIEISA-N	273.340	1.873	10	20	CDCD	
CCOC[C@H]1CCN(C(=O)NCc2ccc(N)cc2)C1	1336289991	DYSWMNTZPUVOIS-ZDUSSCGKSA-N	277.368	1.837	10	20	CDCD	
C[C@@H]1COC[C@H]1NCc1ccc(N2CCOCC2)cc1	829425459	AHCRSMMKRMYFBR-CZUORRHYSA-N	276.380	1.648	10	20	CDCD	
Cc1cc(COCC(=O)NCc2ccc(N)cc2)no1	1343495665	RNLAKMXEDXYABQ-UHFFFAOYSA-N	275.308	1.398	10	20	CDCD	
C[C@H](N[C@H]1CCCCNC1=O)c1cc(C(=O)O)ccc1O	1604329855	ULBDNYZAKUAPHM-CABZTGNLSA-N	292.335	1.410	10	20	CDCD	
O=C(O)[C@H]1C[C@H](O)CN(Cc2cccc(Cl)c2O)C1	1601769631	PHMWJPKHWBWJML-UWVGGRQHSA-N	285.727	1.313	10	20	CDCD	
C[C@H](CC(=O)NCc1cccc(O)c1O)N1CCCC1=O	1548791505	FZJKIVIVXXYKCV-SNVBAGLBSA-N	292.335	1.115	10	20	CDCD	
O=C(O)COCCNCc1ccc2ccccc2c1O	1595113338	OEGPIEFGUDFLOJ-UHFFFAOYSA-N	275.304	1.736	10	20	CDCD	
COCCCN[C@H](C)c1cc(C(=O)O)ccc1O	1599226611	CKBRADYYSDFIIR-SECBINFHSA-N	253.298	1.778	10	20	CDCD	
COc1c(NCc2c(O)cccc2F)ncnc1C(=O)O	1599344528	MFWSBYYPXGRXKW-UHFFFAOYSA-N	293.254	1.640	10	20	CDCD	
CN(C)c1ccc(CNC[C@@H]2C[C@@H](CC(=O)O)CO2)cc1	1777040305	YTSPHSBDUCSWBC-ZFWWWQNUSA-N	292.379	1.722	10	20	CDCD	
O=C(O)CN(Cc1cc(F)ccc1O)C1CCC1	848640558	RUICRUPXXJZADC-UHFFFAOYSA-N	253.273	1.970	10	20	CDCD	
O=C(O)[C@H]1CCCCN1C(=O)Cc1ccc(O)c(O)c1	1595194228	QWZXXXNNVJCPOW-SNVBAGLBSA-N	279.292	1.106	10	20	CDCD	
C[C@@H](NC(=O)c1cccc(O)c1O)C(=O)NC(C)(C)C	126532010	WQCXRXWRWBMDIU-MRVPVSSYSA-N	280.324	1.131	10	20	CDCD	
COc1ccc(O)c([C@H](C)NCc2nnc(C)n2C)c1	182367087	VRTJKMXOMQZPTF-VIFPVBQESA-N	276.340	1.689	10	20	CDCD	
OC[C@]1(NCc2cc(Cl)cc(Cl)c2O)CCOC1	184194785	PXSNYQGEXMGEHL-GFCCVEGCSA-N	292.162	1.940	10	20	CDCD	
C[C@H](NCc1cc(F)cc(F)c1O)C(=O)N1CCCC1	708559387	SQUPBDQBVOIELT-VIFPVBQESA-N	284.306	1.771	10	20	CDCD	
CCO[C@H](C)C(=O)NCc1cccc(OC)c1O	105651496	IXYMNSZRTPLPPG-SECBINFHSA-N	253.298	1.442	10	20	CDCD	
O[C@@H]1CCCN(Cc2ccc(N3CCOCC3)c(F)c2)C1	305726424	HGEMMLROQQQGCE-CQSZACIVSA-N	294.370	1.619	10	20	CDCD	
CC(C)(O)CN1CCN(Cc2cc(F)ccc2O)CC1	180056824	INQUAYANBPVUQM-UHFFFAOYSA-N	282.359	1.420	10	20	CDCD	
Cc1ccc(C(=O)NC2CCC(CO)CC2)c(O)c1O	181107969	OTZABYSXMRXTKG-UHFFFAOYSA-N	279.336	1.687	10	20	CDCD	
CNCCNC(=O)NCc1c(C)c2ccccc2n1C	418095082	FVJUJKXLEIAJFA-UHFFFAOYSA-N	274.368	1.505	10	20	CDCD	
CCS(=O)(=O)CCN[C@@H](C)c1ccc(F)c(F)c1O	187695335	CYOFANTURYUFLS-QMMMGPOBSA-N	293.335	1.756	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(C#N)c[nH]1	183442116	UOAFRKUKWJBPGQ-VIFPVBQESA-N	285.303	1.659	10	20	CDCD	
CN(Cc1ccccc1O)S(=O)(=O)C[C@H]1CCCCO1	178609438	BJZKTTLHGBBYCO-CYBMUJFWSA-N	299.392	1.723	10	20	CDCD	
CC(C)[C@H](CNCc1ccccc1O)N1CCN(C)CC1	40770058	PPSRMSPKCJAMRD-INIZCTEOSA-N	291.439	1.754	10	20	CDCD	
C[C@H](CN1CCOCC1)N(C)Cc1ccccc1O	91619353	LRBACASTEUWWHF-CYBMUJFWSA-N	264.369	1.545	10	20	CDCD	
Nc1ccc(CN2CC[C@@H]3NC(=O)CC[C@H]3C2)cc1	250252337	OFNRAKGYBGJDNA-JSGCOSHPSA-N	259.353	1.369	10	20	CDCD	
O=C(NCc1ccccc1O)[C@@H]1CSCCS1	267534261	XHQLNQOBPDOSBH-NSHDSACASA-N	269.391	1.857	10	20	CDCD	
OC[C@@H]1[C@H]2CN(Cc3cc(Br)ccc3O)C[C@H]21	367840145	PCSQRFPXVOZTBU-GDNZZTSVSA-N	298.180	1.825	10	20	CDCD	
CC[C@@H]1CN(C(=O)c2ccc(C)c(O)c2O)C[C@@H]1O	273028078	SHLHDYLBYRWLSQ-KOLCDFICSA-N	265.309	1.249	10	20	CDCD	
CN(C)C(C)(C)CNC(=O)/C=C/c1ccc(O)c(O)c1	272471147	PRSUCGJHIDYHEI-SOFGYWHQSA-N	278.352	1.567	10	20	CDCD	
CN(C)[C@@H]1CCCN(C(=O)c2c(F)ccc(O)c2O)C1	276664072	YHYPLWXASLFTEP-SECBINFHSA-N	282.315	1.403	10	20	CDCD	
COC(=O)CC1(NCc2cc(F)ccc2O)CCOCC1	272612782	KQPFUDIDIVSZEU-UHFFFAOYSA-N	297.326	1.733	10	20	CDCD	
CO[C@@H](C)CN[C@H](C)c1cc([N+](=O)[O-])ccc1O	276983036	WGOWIZKMSYIOQC-DTWKUNHWSA-N	254.286	1.986	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)NC[C@@H](O)C(C)C)c1	273616619	XLUWQFLQSPHOKM-QMTHXVAHSA-N	281.352	1.846	10	20	CDCD	
CCC(CC)[C@@H](O)CNC(=O)c1c(F)ccc(O)c1O	276610402	SNKXBVAZAFIPHC-NSHDSACASA-N	285.315	1.764	10	20	CDCD	
C[C@@H](NCC1(OCCO)CCOCC1)c1ccccc1O	282476829	GVNIAPQUNPFIRT-CYBMUJFWSA-N	295.379	1.601	10	20	CDCD	
Oc1ccccc1CN1CCOC[C@@H]1[C@@H]1CCCO1	377698882	MXCOFCSOJJRKHZ-HIFRSBDPSA-N	263.337	1.772	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)c1cn(C)nn1	289056814	AFVPESFYSJJYGD-UHFFFAOYSA-N	274.324	1.573	10	20	CDCD	
CN1CCN(CCCN(C)Cc2cc(F)ccc2O)CC1	289505827	UEOWVIBWVHMUCT-UHFFFAOYSA-N	295.402	1.601	10	20	CDCD	
COC(=O)[C@@H]1CN(Cc2ccc(N(C)C)cc2)C[C@H]1C	280314517	PVDGGNNIYCXWEX-IUODEOHRSA-N	276.380	1.994	10	20	CDCD	
CCOC1CC(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)C1	291581477	CIJNUEXHLDTLAE-QFWMXSHPSA-N	293.363	1.960	10	20	CDCD	
C[C@@H]1CCN[C@H](C)[C@@H]1NC(=O)Cc1ccc(N)cc1	295084457	SLPSRCMFVPCTHF-UEKVPHQBSA-N	261.369	1.314	10	20	CDCD	
Cc1cccc(CN[C@@H]2CCCN(CCCO)C2)c1O	295124825	NTJALKXLKREAJP-OAHLLOKOSA-N	278.396	1.637	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)NCC2(N)CCC2)c1	817965447	VAKOEXRRQACCOL-JTQLQIEISA-N	278.352	1.711	10	20	CDCD	
C[C@H]1C[C@H]1CN1C(=O)CN(Cc2ccccc2O)C1=O	819165254	RKTICVTTYPMHCP-JQWIXIFHSA-N	274.320	1.812	10	20	CDCD	
CC(=O)NC(C)(C)C(=O)NCc1ccc(N(C)C)cc1	726753142	WRRWQCRNECKLDI-UHFFFAOYSA-N	277.368	1.284	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)NOCC(C)(C)O	824337854	NVXNACDLYGYTFK-UHFFFAOYSA-N	295.383	1.563	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CCN[C@H]2C)c1	828667212	OCQUQBNZVACNQN-NHCYSSNCSA-N	278.352	1.576	10	20	CDCD	
CN(CCCCNC(=O)c1cccc(O)c1O)C1CC1	837226049	ZCJVLVXHOIXZCV-UHFFFAOYSA-N	278.352	1.702	10	20	CDCD	
CC[C@@H]1NCC[C@@H]1C(=O)NCc1ccc(OC)cc1O	832178104	NNVWCFWENQHBDM-STQMWFEESA-N	278.352	1.405	10	20	CDCD	
CCc1nnc(COC(=O)c2cc(O)cs2)o1	732353792	VQBDDUPUSHZYRU-UHFFFAOYSA-N	254.267	1.756	10	20	CDCD	
COc1ccc(O)c(CNc2ncc([N+](=O)[O-])c(N)n2)c1	733994826	QJBNYJFLXUDYRL-UHFFFAOYSA-N	291.267	1.293	10	20	CDCD	
COc1ccc(CNC(=O)CC2CCNCC2)c(O)c1	832178882	YXIWONPONANKMD-UHFFFAOYSA-N	278.352	1.407	10	20	CDCD	
CN(C)c1ccc(CN[C@@H]2C[C@@H]3CCCCN3C2=O)cc1	835075358	WYOZNEARKHWDAX-JKSUJKDBSA-N	287.407	1.996	10	20	CDCD	
CC[C@@H](NC(=O)c1cc(O)cs1)[C@H](O)C(C)C	839866923	HDCIAEHBBUZXJT-MWLCHTKSSA-N	257.355	1.979	10	20	CDCD	
CC(C)(CC(=O)O)CC(=O)NCCc1ccc(O)c(O)c1	833453449	OYQPVCDGTHQTGC-UHFFFAOYSA-N	295.335	1.648	10	20	CDCD	
CCCCOCC(=O)NCc1ccc(O)cc1O	910950773	HXNXUYKLLTVONV-UHFFFAOYSA-N	253.298	1.531	10	20	CDCD	
Cc1cc(O)c(CN2CCO[C@@H](CN)C2)cc1C	843068611	LFBQRMSRANBCRS-ZDUSSCGKSA-N	250.342	1.169	10	20	CDCD	
CC(C)C[C@@H]1C[C@H]1NC(=O)C(=O)Nc1ccc(N)cc1	841141631	NXWPMHCAXHNIMY-ZWNOBZJWSA-N	275.352	1.758	10	20	CDCD	
CCCCNC(=O)NC(=O)CN(C)c1ccc(OC)cc1	844353755	ZBYRRWUMCTZWNT-UHFFFAOYSA-N	293.367	1.757	10	20	CDCD	
CCOC(=O)[C@H](C)[C@H](C)NC(=O)Cc1ccc(N)cc1	843494746	WYIXDDSQMOHXAF-MNOVXSKESA-N	278.352	1.515	10	20	CDCD	
CC(C)[C@H](C(=O)O)C(=O)NCc1ccc(N(C)C)cc1	843339242	JRQGJTQLRSHOPG-ZDUSSCGKSA-N	278.352	1.726	10	20	CDCD	
Nc1ccc(CNC(=O)[C@@H]2CCc3ncncc3C2)cc1	843257159	MPLCDFOTABISMM-GFCCVEGCSA-N	282.347	1.480	10	20	CDCD	
C[C@H](C(=O)NCc1ccccc1O)C(=O)OC(C)(C)C	840399394	MZLYAGXJMYNIFX-SNVBAGLBSA-N	279.336	1.986	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)c1conc1C1CC1	910945507	BMZPYXOTJOJFKQ-UHFFFAOYSA-N	274.276	1.893	10	20	CDCD	
OC[C@@H]1CN(Cc2c(O)cccc2Cl)CC[C@H]1O	840975403	NIHIBYALHUKRDC-JOYOIKCWSA-N	271.744	1.221	10	20	CDCD	
Nc1ccc(Cc2noc([C@@H]3COCCO3)n2)cc1	843160487	YRVCYMOUNRNSQB-NSHDSACASA-N	261.281	1.331	10	20	CDCD	
CCC[C@H](CCO)NC(=O)Nc1ccc(N)cc1	868164051	URWTWRURSSDTOO-LLVKDONJSA-N	251.330	1.941	10	20	CDCD	
O=C1C[C@@H](C(=O)NCc2cc(Cl)ccc2O)CCN1	846476295	NAHBNMUEYUUKLL-QMMMGPOBSA-N	282.727	1.188	10	20	CDCD	
C[C@@H]1COC[C@H]1NCc1ccc(N2CCN(C)CC2)cc1	922643364	XUXJQDJOZAKSIT-RHSMWYFYSA-N	289.423	1.563	10	20	CDCD	
CCOC[C@@H]1CN(Cc2ccc(N(C)C)cc2)CCO1	859770996	FSMILQGGVLPFAY-INIZCTEOSA-N	278.396	1.990	10	20	CDCD	
O=C(N[C@H]1CCc2c[nH]nc2C1)c1cc(O)cs1	759098338	CDAAWFXNNMISAV-QMMMGPOBSA-N	263.322	1.464	10	20	CDCD	
C[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)C1(CO)CC1	855480300	GEHNAJIWAKQRSY-ATPLWMGHSA-N	277.320	1.388	10	20	CDCD	
CC1(C)OCC(NC(=O)NCc2ccccc2O)CO1	758432152	MOTYFXZLKKCQOQ-UHFFFAOYSA-N	280.324	1.343	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NOCC(F)F)c1	858411577	OLIDDJBFYYBVFM-UHFFFAOYSA-N	260.240	1.697	10	20	CDCD	
COc1ccc(O)c([C@@H](C)N[C@@H](CO)C2CCOCC2)c1	757657724	FSUHJXKGYHPCJV-ABAIWWIYSA-N	295.379	1.839	10	20	CDCD	
COCC1(O)CCN(Cc2cc(OC)c(C)cc2O)CC1	768466336	ZKIIXPPASCFSNC-UHFFFAOYSA-N	295.379	1.683	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNS(=O)(=O)c1ncc[nH]1	866797707	VQPAEZQXTULEBK-UHFFFAOYSA-N	294.380	1.263	10	20	CDCD	
C[C@@H](NC[C@H]1COCCN1)c1cc(F)cc(F)c1O	863544675	BEENQJCWRIRBDK-SCZZXKLOSA-N	272.295	1.309	10	20	CDCD	
CCN[C@@H](C)C(=O)NCc1ccc(N2CCCC2)cc1	876727754	BINGFSDOXNPWNU-ZDUSSCGKSA-N	275.396	1.901	10	20	CDCD	
O=C1N[C@H](c2ccc(O)c(O)c2)N2CCc3ccccc3[C@@H]12	877855850	KXWCMUYNWJLOLY-HOTGVXAUSA-N	296.326	1.826	10	20	CDCD	
CNC[C@H](C)CNCc1cc(Cl)cc(OC)c1O	1118019124	NUUADOZXEGZMLG-VIFPVBQESA-N	272.776	1.999	10	20	CDCD	
C[C@@H](C(=O)NCc1ccc(O)c(O)c1)n1ccnc1	1116566128	PZEWHUHGBITTOP-VIFPVBQESA-N	261.281	1.172	10	20	CDCD	
C[C@H](NC(=O)[C@@]1(O)CCSC1)c1ccc(N(C)C)cc1	775412016	UEUAQQCUAULQET-XHDPSFHLSA-N	294.420	1.798	10	20	CDCD	
CON(C)C(=O)[C@H](C)NCc1ccc(C)cc1O	877660079	ILNAFNXPOATSLI-JTQLQIEISA-N	252.314	1.199	10	20	CDCD	
O=C1NCc2ccc(NC(=O)c3cccc(O)c3O)cc21	776343364	RTIOSETZRIUBBZ-UHFFFAOYSA-N	284.271	1.594	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)NC[C@H]2C[C@H](O)C2)c1	872125493	BHFJMYBTJMSHJD-NHCYSSNCSA-N	279.336	1.600	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCC[C@H](OCCO)C1	782060735	WDLOUNDTYHLSAI-JTQLQIEISA-N	271.338	1.067	10	20	CDCD	
CCC[C@H](O)CC(=O)OCC(=O)c1ccc(O)c(O)c1	783705524	APZJVLRABWZSQS-JTQLQIEISA-N	282.292	1.375	10	20	CDCD	
Cc1ccc2nc(CNC(=O)c3cccc(O)c3O)cn2c1	790562664	ZUIRDTBDSRFCGE-UHFFFAOYSA-N	297.314	1.984	10	20	CDCD	
CCOC(=O)[C@@H](C)NCc1cccc(OCC)c1O	49368825	OGIZCPKJELKHNH-SNVBAGLBSA-N	267.325	1.832	10	20	CDCD	
Cn1cc(C(=O)NCc2ccccc2O)c(C(F)F)n1	755180185	NTXQDVBUOIATDS-UHFFFAOYSA-N	281.262	1.993	10	20	CDCD	
CS[C@H]1CN(C(=O)c2cccc(O)c2O)C[C@H]1N(C)C	790903807	BGNLPCJZKAPMEX-PWSUYJOCSA-N	296.392	1.215	10	20	CDCD	
NC(=O)C1(NCc2cc(Cl)cc(Cl)c2O)CC1	792175488	VANIJOPCCHSWSA-UHFFFAOYSA-N	275.135	1.807	10	20	CDCD	
CN(C(=O)[C@@H]1CCCC(=O)N1C)c1ccc(N)cc1	1342237658	BELOLNQQWYKNIQ-LBPRGKRZSA-N	261.325	1.243	10	20	CDCD	
CN1CCCc2cc(CNC(=O)NCCCCN)ccc21	1345129122	IWUOZAXJCBMRNX-UHFFFAOYSA-N	290.411	1.607	10	20	CDCD	
O=C(O)c1nc(=NCc2c(O)ccc3c2CCCC3)cc[nH]1	1602576185	QCCQXTNEBTXINP-UHFFFAOYSA-N	299.330	1.793	10	20	CDCD	
COCC[C@H](C)N[C@@H](C)c1cccc(-c2nn[nH]n2)c1O	1605080201	WSYWFGLONDFYSQ-UWVGGRQHSA-N	291.355	1.648	10	20	CDCD	
O=C(O)[C@H](CC1CC1)NCc1cccc(F)c1O	1601639634	KUICEWLVDRYKLI-NSHDSACASA-N	253.273	1.874	10	20	CDCD	
CCOc1cccc(CN2C[C@H]3[C@@H](C2)[C@@H]3C(=O)O)c1O	1610044074	BJJICBOSQWOXDI-PJXYFTJBSA-N	277.320	1.553	10	20	CDCD	
Oc1ccccc1CNC1CCN([C@@H]2CCOC2)CC1	848526372	YAPVZNCATZLGIG-OAHLLOKOSA-N	276.380	1.735	10	20	CDCD	
O=C1CCCN1CCNCc1ccc2c(c1)CCCO2	922222055	OBYPXCGBANGMET-UHFFFAOYSA-N	274.364	1.724	10	20	CDCD	
CCN1CCC[C@H]1CNC(=O)Cc1ccc(N)cc1	22177270	WDJSAEWMCJKRNY-AWEZNQCLSA-N	261.369	1.412	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CCNC2CC2)cc1	40825895	SBONCWPLVSDZKY-UHFFFAOYSA-N	261.369	1.511	10	20	CDCD	
C[C@@H](N[C@@H]1CCCN(C)C1=O)c1cc(F)ccc1O	704357533	QYRWXTPQPCAGAQ-BXKDBHETSA-N	266.316	1.803	10	20	CDCD	
CO[C@@H]1COC[C@H]1N[C@H](C)c1ccc(F)cc1O	842908794	DTFGUXGWQDZLED-XTWCZFFVSA-N	255.289	1.596	10	20	CDCD	
OC[C@H](C[C@H]1CCCO1)NCc1cc(F)cc(F)c1O	886220952	QCWADAKMIZPKEK-NWDGAFQWSA-N	287.306	1.690	10	20	CDCD	
CCN(CC)CC(=O)N[C@@H](C)c1cc(OC)ccc1O	103529521	LIAUOOYCNSYFBV-NSHDSACASA-N	280.368	1.920	10	20	CDCD	
COc1cccc(CNC(=O)c2ccc(C)[nH]c2=O)c1O	105651180	YMERNAQZPACNQA-UHFFFAOYSA-N	288.303	1.328	10	20	CDCD	
COc1cccc(CN2CCC[C@H](C3OCCO3)C2)c1O	179372514	OAUUGABALMVYIU-ZDUSSCGKSA-N	293.363	1.986	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)c2noc(C)n2)c1	123419852	ULTFAGLLWCGKGA-ZETCQYMHSA-N	277.280	1.583	10	20	CDCD	
COc1ccc(N(Cc2nc(=O)[nH][nH]2)[C@H](C)C2CC2)cc1	122194943	CVQZKWOAYSBWSD-SNVBAGLBSA-N	288.351	1.912	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CCOC[C@H]1C1CC1	181271555	COJLKSVQUNHCHE-NHEDYWLLSA-N	289.331	1.748	10	20	CDCD	
CN(Cc1cc(F)ccc1O)Cc1nncn1C	289994442	CNKZDZAXLPCMTQ-UHFFFAOYSA-N	250.277	1.292	10	20	CDCD	
Cc1cccc(CNC[C@H]2CCCS(=O)(=O)C2)c1O	290570331	TVGBWIKMQLBWOX-GFCCVEGCSA-N	283.393	1.615	10	20	CDCD	
CCc1cc(NC(=O)c2cccc(O)c2O)n(C)n1	193074275	ZMQYDTZPVQIUHJ-UHFFFAOYSA-N	261.281	1.646	10	20	CDCD	
CS(=O)(=O)c1ccccc1C(=O)N1CCSCC1	48791033	GWUPURLMJLCRHT-UHFFFAOYSA-N	285.390	1.279	10	20	CDCD	
COc1cccc(CN(CCO)Cc2cccnc2)c1O	93086196	IXNRCLQEICOEOL-UHFFFAOYSA-N	288.347	1.790	10	20	CDCD	
CN(C)C(=O)CN(Cc1ccccc1O)C[C@H]1CCCO1	96971012	ARIMWMSSWBEFMN-CQSZACIVSA-N	292.379	1.461	10	20	CDCD	
Cc1cc(C(=O)N[C@@H](C)CO)c(C)n1-c1ccccn1	97251064	BSJXPNJHYOWOLE-JTQLQIEISA-N	273.336	1.600	10	20	CDCD	
Cn1cncc1CNCc1ccc(N2CCOCC2)cc1	237936833	WTYIKIYOUFTEOI-UHFFFAOYSA-N	286.379	1.547	10	20	CDCD	
CC[C@H]1CN(Cc2cc(OC)c(OC)cc2O)C[C@@H]1O	271907401	LUIQTNJOUVZVPH-GWCFXTLKSA-N	281.352	1.612	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCC(c2cn[nH]c2)CC1	376549947	BSOALQRJXTZQRZ-UHFFFAOYSA-N	287.319	1.841	10	20	CDCD	
COCC1(C(=O)NCc2ccc(O)c(O)c2)CCC1	284730936	GNEQSIDOHCVPKB-UHFFFAOYSA-N	265.309	1.531	10	20	CDCD	
CCOc1cccc(CN2CC(=O)N(C3CC3)C2)c1O	280445506	KUNZFHAQEVDSFX-UHFFFAOYSA-N	276.336	1.555	10	20	CDCD	
CC(=O)C(=O)COc1ccc(Cl)cc1[N+](=O)[O-]	808014361	FRVANVSWOYLKJL-UHFFFAOYSA-N	257.629	1.785	10	20	CDCD	
CNC(=O)[C@H](C)NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1	813720320	UCUFXDICLTUBPQ-QWRGUYRKSA-N	292.383	1.247	10	20	CDCD	
COc1cccc(O)c1CNCC1(CC(N)=O)CC1	817410876	JCDNSOVYTRKDMI-UHFFFAOYSA-N	264.325	1.146	10	20	CDCD	
COc1ccc(O)c([C@H](C)N[C@@H]2CCCNC2)c1	817941780	RMXOIAOOZCIGCP-WDEREUQCSA-N	250.342	1.803	10	20	CDCD	
CN(C)c1ccc([C@@H](N)CNC2C[C@@H]3CC[C@H](C2)N3)cc1	817940422	GYAUXPVFWLRDFX-MYSGWJLTSA-N	288.439	1.625	10	20	CDCD	
CCN(C)c1ccc(CN2CC[C@@H](CO)[C@@H](O)C2)cc1	815101383	XTTMHBPKLQKUFE-HOCLYGCPSA-N	278.396	1.318	10	20	CDCD	
Cc1cc(O)c(CN2CCNC(=O)[C@@H]2C)cc1Cl	824646099	XSINQLBUARDWKI-VIFPVBQESA-N	268.744	1.674	10	20	CDCD	
Cc1ccn(CC(=O)N[C@H](C)c2ccccc2O)c(=O)c1	827946441	HZOBSPXJFSZKKZ-GFCCVEGCSA-N	286.331	1.740	10	20	CDCD	
CCOc1ccc(CNCC2(O)CCOCC2)c(O)c1	728781821	AWAREESEXOZJIW-UHFFFAOYSA-N	281.352	1.422	10	20	CDCD	
CN(C)c1ccc(CNC(=O)C[C@H]2CCC(=O)N2)cc1F	824668982	AVKLLHPYELUIFT-LLVKDONJSA-N	293.342	1.177	10	20	CDCD	
C[C@H]1CCC(=O)CN1C(=O)c1c(F)ccc(O)c1O	900709951	CICAPXDARXVFOX-ZETCQYMHSA-N	267.256	1.431	10	20	CDCD	
Nc1ccc(CC(=O)N2CCC[C@@H](n3ccnn3)C2)cc1	831760400	ZUDIRWIYYABABK-CQSZACIVSA-N	285.351	1.267	10	20	CDCD	
COc1ccc(O)c(CNC(=O)NCCOCC2CC2)c1	734069732	NNUUOOUHGPWLNP-UHFFFAOYSA-N	294.351	1.627	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN(C)CC(=O)N(C)C	840910940	XUXUCVVMTLJGKK-UHFFFAOYSA-N	263.385	1.581	10	20	CDCD	
CCOC(=O)C(C)(C)CC(=O)NCCc1ccc(N)cc1	832658901	GVTGNAFFYQPTJY-UHFFFAOYSA-N	292.379	1.907	10	20	CDCD	
CC[C@](C)(CNC(=O)NCCc1ccc(N)cc1)OC	841907889	GXHJOSFOEOBLJR-OAHLLOKOSA-N	279.384	1.926	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)[C@@H]2C[C@H]3C[C@H]3N2)cc1	844172649	FYSFVADVKAZAEV-BMFZPTHFSA-N	287.407	1.899	10	20	CDCD	
C[C@H](C(=O)NCc1ccc(O)cc1O)C(=O)OC(C)(C)C	910944160	LSMRQERRGPVGJH-SECBINFHSA-N	295.335	1.692	10	20	CDCD	
NCCC1CCN(Cc2cc3c(cc2O)OCO3)CC1	844910838	KECOOGHTTLXARG-UHFFFAOYSA-N	278.352	1.682	10	20	CDCD	
C[C@H](CNCc1ccc(N2CCOCC2)c(F)c1)C(=O)O	848637510	HJUUJIYSRHIUCX-LLVKDONJSA-N	296.342	1.473	10	20	CDCD	
O=C(NCCO[C@H]1CCCCO1)c1cccc(O)c1O	854552439	TYVRHXFXVMFUOK-LBPRGKRZSA-N	281.308	1.371	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NCc2cc(C)[nH]n2)c1	858237459	KXOSAMQGXVGMLC-UHFFFAOYSA-N	274.324	1.732	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)C1(N(C)C)CCC1	935945791	LBTNCEOOTAFJHU-UHFFFAOYSA-N	297.395	1.978	10	20	CDCD	
CCOc1cccc(CN2C[C@@H]3CC[C@H](C2)N3)c1O	873217395	LIVCLKQWZRHTIX-BETUJISGSA-N	262.353	1.727	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)Cc1nnc(C)o1	935945933	QHENPYBKXZWWMN-UHFFFAOYSA-N	296.323	1.428	10	20	CDCD	
CCOc1ccc(CN(C)CC[C@H](C)O)c(O)c1	769450430	CTTHXKVFXZGOSG-NSHDSACASA-N	253.342	1.994	10	20	CDCD	
O=C(N[C@@H]1CCCc2c[nH]nc21)c1cc(O)cs1	768289690	DMKCKVQMPNFXHE-SECBINFHSA-N	263.322	1.984	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@@H]2CCn3ccnc3C2)c1	862755750	XJCGQNCIRBONCK-GFCCVEGCSA-N	285.347	1.776	10	20	CDCD	
Cc1cc(O)c(CN2CCN3C(=O)CC[C@@H]3C2)cc1C	769205819	ITCJFPCCJOFNIH-CQSZACIVSA-N	274.364	1.816	10	20	CDCD	
Cc1cccc(O)c1CN1CC[C@@H](n2cncn2)C1	877424924	TVTJFJRLAWKBMS-GFCCVEGCSA-N	258.325	1.739	10	20	CDCD	
O=C(O)CCN(Cc1cccc(F)c1O)C1CCOCC1	1118241982	UEXCPVMKPUYVDO-UHFFFAOYSA-N	297.326	1.987	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N[C@H](CCO)C1CC1	779533239	HPRNRIAUJUWSLL-RDNKVPPGSA-N	277.320	1.388	10	20	CDCD	
O=[N+]([O-])c1ccc(O)c(CN[C@@H]2CCn3ccnc3C2)c1	778190199	VTXWCQHTMVUYMK-LLVKDONJSA-N	288.307	1.602	10	20	CDCD	
COc1cc(C)cc(CNCCc2ccn(C)n2)c1O	894466312	FXFBGFXDPFIWPA-UHFFFAOYSA-N	275.352	1.775	10	20	CDCD	
O=C(NCc1ccccc1O)c1cccc2nn[nH]c12	783676739	MQDNJECHMGPUCX-UHFFFAOYSA-N	268.276	1.594	10	20	CDCD	
C[C@H]1CN(Cc2cc(F)ccc2O)C[C@@H](C)[S@]1=O	792192725	PODZMFQBZYLVLQ-LCKNKQDLSA-N	271.357	1.873	10	20	CDCD	
COc1ccc(CNC(=O)[C@@H](O)c2cccnc2)c(O)c1	794377942	NOEBHIRBUACEQR-AWEZNQCLSA-N	288.303	1.146	10	20	CDCD	
C[C@@H]1[C@@H](C)S(=O)(=O)CCN1Cc1ccc(N)cc1	1334754267	NUSPVPZCXRJQPF-GHMZBOCLSA-N	268.382	1.276	10	20	CDCD	
CCc1cc(C(=O)NCc2cccc(OC)c2O)nn1C	1320838025	AJOXIOUQWMLZTM-UHFFFAOYSA-N	289.335	1.627	10	20	CDCD	
CN(CCn1ccccc1=O)Cc1ccccc1O	732203111	LSXKYDQTRZYNQR-UHFFFAOYSA-N	258.321	1.686	10	20	CDCD	
CO[C@H]1C[C@H](NCc2cc3c(cc2O)OCO3)C1	706492694	WMORWUNIPIQJBS-MGCOHNPYSA-N	251.282	1.388	10	20	CDCD	
COC(=O)N(C)CCNCc1cc(C)ccc1O	689523677	ANOPKTHQWQXMAQ-UHFFFAOYSA-N	252.314	1.488	10	20	CDCD	
CCc1cccc(CN[C@H](CCO)COC)c1O	691493783	LDTBFOOSKUHSCE-CYBMUJFWSA-N	253.342	1.442	10	20	CDCD	
COC(=O)[C@@H]1CCN(C(=O)NCc2ccc(N)cc2)[C@H]1C	1337070017	GHTLXFIRZNBGIX-GXFFZTMASA-N	291.351	1.362	10	20	CDCD	
COc1cccc(O)c1CNC[C@@H]1CCCCS1(=O)=O	784621382	OYYLCRAGMCTFIV-NSHDSACASA-N	299.392	1.458	10	20	CDCD	
CC(C)N(C)C[C@H](C)NC(=O)NCc1ccc(N)cc1	1357418260	RFKBMZWNNVAVCK-LBPRGKRZSA-N	278.400	1.797	10	20	CDCD	
COC[C@H](NCc1cc(Cl)c(C)cc1O)C(=O)O	1606815131	PXOSSWRZFDZVFL-JTQLQIEISA-N	273.716	1.543	10	20	CDCD	
Cc1c(NC(=O)c2cc(O)cs2)cnn1CC(=O)O	1607549666	VLIOKWRJLPLCJA-UHFFFAOYSA-N	281.293	1.296	10	20	CDCD	
C[C@@H](NCC(=O)NCC1CC1)c1cc(C(=O)O)ccc1O	1604328800	FNYAQDUQALFBBG-SECBINFHSA-N	292.335	1.267	10	20	CDCD	
Cc1cccc(O)c1CN1CCc2[nH]nc(C(=O)O)c2C1	1607858051	DDBGLLSGMLAUQG-UHFFFAOYSA-N	287.319	1.680	10	20	CDCD	
C[C@@H](NCCNC(=O)C1CC1)c1cc(C(=O)O)ccc1O	1609778301	GWMRDKOOJHWNIM-SECBINFHSA-N	292.335	1.267	10	20	CDCD	
CCOCC[C@H](O)CSc1ncc(C(=O)O)s1	1610031000	KSQVTNMRRZHHSD-ZETCQYMHSA-N	277.367	1.721	10	20	CDCD	
C/C(=C/CNC(=O)NCc1cc(C)ccc1O)C(=O)O	1588975411	YQZVDFYIGILOQK-YHYXMXQVSA-N	278.308	1.531	10	20	CDCD	
CC1(C)C[C@]1(C(=O)O)C(=O)NCc1ccc(O)cc1O	1589217619	MHQFAEZMVZTIRD-CQSZACIVSA-N	279.292	1.215	10	20	CDCD	
C[C@H](NC[C@H](C)CCO)c1cc(C(=O)O)ccc1O	1592529936	JDAPIYNAGOXPJI-ZJUUUORDSA-N	267.325	1.760	10	20	CDCD	
CCN1CCCc2cc(CN[C@H](C(=O)O)[C@H](C)O)ccc21	1776875370	YXKRLNNLRCXJOE-NHYWBVRUSA-N	292.379	1.383	10	20	CDCD	
COc1cccc(O)c1CN1CC[C@]2(CCN(C)C2)C1	814178567	VNWQETHKGGIYGD-INIZCTEOSA-N	276.380	1.928	10	20	CDCD	
C[C@@H](CN1CCOCC1)N[C@H](C)c1ccccc1O	36933247	DWJRVQMBGSEXHD-QWHCGFSZSA-N	264.369	1.764	10	20	CDCD	
OCC(F)(F)CNCc1ccc(N2CCOCC2)cc1	183868562	UGJYZSWLEGCTCI-UHFFFAOYSA-N	286.322	1.240	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)c1ccc2nnnn2n1	301739223	CYMXSUNPSURJGN-UHFFFAOYSA-N	297.366	1.612	10	20	CDCD	
CCOC(=O)CN(C)Cc1cc(OCC)ccc1O	128596723	LVZGOTPTDMPXGV-UHFFFAOYSA-N	267.325	1.786	10	20	CDCD	
COc1cccc(CN2C[C@H](C)N[C@@H](C)C2)c1O	70075097	ITTXLYKMEHBXKF-QWRGUYRKSA-N	250.342	1.583	10	20	CDCD	
CCCN(Cc1ccccc1O)[C@H]1CCS(=O)(=O)C1	157059362	QDBOHDACQMQRDL-ZDUSSCGKSA-N	283.393	1.791	10	20	CDCD	
COC(=O)[C@H]1C[C@H](O)CN1Cc1cc(Cl)cc(C)c1O	188611328	WMOCASSNGZDPBX-NWDGAFQWSA-N	299.754	1.462	10	20	CDCD	
COc1ccc(N2CCN(C(=O)[C@H](C)OC)CC2)cc1F	84814377	DRDGXWSIVYZFPT-NSHDSACASA-N	296.342	1.518	10	20	CDCD	
COCCCOCCN(C)C(=O)c1ccc(C)c(O)c1O	272997953	NZKQGSGSSMNVJM-UHFFFAOYSA-N	297.351	1.531	10	20	CDCD	
CN(C)[C@H]1CCCN(C(=O)c2cccc(O)c2O)CC1	277383707	WPNVTNGNAVMCIE-NSHDSACASA-N	278.352	1.654	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNC[C@@H]2CCCOC2)c1O	278629490	GQLWXFBCZAELTP-JTQLQIEISA-N	296.323	1.825	10	20	CDCD	
CC(C)[C@@H](N)C(=O)NCc1ccc(N2CCCC2)cc1	292469642	MRMBSBADUYBABU-OAHLLOKOSA-N	275.396	1.886	10	20	CDCD	
COCC[C@@H]1COCCN1Cc1cc(OC)c(C)cc1O	812299997	RTYDBGKRBQQSDL-CQSZACIVSA-N	295.379	1.947	10	20	CDCD	
CCCN1C[C@H](CNCc2cc(F)ccc2O)CC1=O	817410892	JKLLAIITCQLJBR-NSHDSACASA-N	280.343	1.879	10	20	CDCD	
CC(=O)N[C@H]1CCN(Cc2ccc(N(C)C)c(F)c2)C1	817415681	WQRNNPYTXBZCHK-ZDUSSCGKSA-N	279.359	1.602	10	20	CDCD	
CCOc1ccc(CN[C@@H]2CC(=O)N(C)C2)c(O)c1	726797825	ZDFAIQWXQPWJPG-LLVKDONJSA-N	264.325	1.111	10	20	CDCD	
Cc1ccc(C(=O)NCCCC(=O)O)c(O)c1O	821063826	FIRJUEFDUWDJRH-UHFFFAOYSA-N	253.254	1.001	10	20	CDCD	
C[C@@H]1C[C@@H](NC(=O)NCc2ccc(N(C)C)cc2)CO1	825602664	LPTJLILQERWHHS-DGCLKSJQSA-N	277.368	1.729	10	20	CDCD	
C[C@@H](NC(=O)[C@@H]1CCc2nncn2C1)c1ccccc1O	827946930	VKFWNNORXVMNSS-GHMZBOCLSA-N	286.335	1.424	10	20	CDCD	
O=C(O)[C@H]1CN(C(=O)/C=C\c2cnccn2)c2ccccc21	492983916	IGJWEVGRXDZKQJ-SZZPACECSA-N	295.298	1.705	10	20	CDCD	
O=C(N[C@@H]1C[C@@H]2CCCCN2C1=O)c1cc(O)cs1	839791009	HYBSAENWJVJSSB-WCBMZHEXSA-N	280.349	1.337	10	20	CDCD	
CSCC[C@@H](O)C(=O)N(C)Cc1ccccc1O	270817896	QRJKGYBLXVUEKS-GFCCVEGCSA-N	269.366	1.465	10	20	CDCD	
CS[C@@H](C)C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1	832299667	FVCCBEPLBHONDP-GXFFZTMASA-N	281.425	1.620	10	20	CDCD	
CNC[C@H]1CCN(Cc2cc(F)cc(C(C)=O)c2O)C1	843349029	DJMCZOSLHSHXKP-LLVKDONJSA-N	280.343	1.775	10	20	CDCD	
Nc1ccc(CC(=O)N2CCC[C@H]([C@@H]3CCNC3)C2)cc1	841855308	DHSBEEKQDSMZTH-CABCVRRESA-N	287.407	1.659	10	20	CDCD	
C[C@H](Cc1cnc[nH]1)C(=O)NCc1ccccc1O	847590050	SVYUXZVVWNWUQA-SNVBAGLBSA-N	259.309	1.610	10	20	CDCD	
O=C1CC[C@@H]2[C@H]1[C@H]2C(=O)NCc1cc(Cl)ccc1O	911897880	LITSSLVUBKUJBM-WQAKAFBOSA-N	279.723	1.887	10	20	CDCD	
CN(C)c1ccc([C@@H](N)CNCc2cncs2)cc1	841043575	PKRZCMCVZBDSRW-AWEZNQCLSA-N	276.409	1.999	10	20	CDCD	
C[C@@H](NC(=O)C(C)(C)CO)c1ccc(N(C)C)cc1	847760446	KRUCJLXXFZAIKA-LLVKDONJSA-N	264.369	1.948	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N1CC[C@H](CF)C1	916113358	LMNPZXVFOAFZHK-CJHWANRJSA-N	265.284	1.929	10	20	CDCD	
CC1(C)CCN(Cc2cc(O)n3ncc(C(=O)O)c3n2)C1	846245586	XLTUORZCPPUOFE-UHFFFAOYSA-N	290.323	1.365	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CCCNCC2)c1	846676997	MARMSTJWCYWFMW-NEPJUHHUSA-N	292.379	1.968	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN[C@H]1CCc2c(nnn2C)C1	848926709	WXLAFVRKGQOTNX-AWEZNQCLSA-N	299.422	1.837	10	20	CDCD	
Cc1nn(C)cc1CC(=O)NCc1cc(Cl)ccc1O	846477935	VWOIBWAEIHSSKP-UHFFFAOYSA-N	293.754	1.946	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)NC[C@H]2COCCO2)c1	756435069	URYUVVGEMJCPNC-PWSUYJOCSA-N	295.335	1.245	10	20	CDCD	
COc1cccc(O)c1CN1CC[C@@H](C)[C@H](CO)C1	857062150	YRVRYROPGWHQKS-NEPJUHHUSA-N	265.353	1.851	10	20	CDCD	
CC[C@@H](NC)C(=O)NCCCSc1nccs1	852805881	OHNFLKOHPWBXKZ-SECBINFHSA-N	273.427	1.740	10	20	CDCD	
CC[S@@](=O)CCNC(=O)NCc1cc(C)ccc1O	858228479	GXWVEONPCJQIRH-LJQANCHMSA-N	284.381	1.268	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H](C)CN(C)C(C)C)c(O)c1O	753029429	NRAQTGOFAMZGSR-NSHDSACASA-N	280.368	1.865	10	20	CDCD	
Oc1cc2c(cc1CN1CC[C@@H]3C[C@H]3C1)[C@H](O)CO2	853577714	VENGJGFXRITEJC-ISTVAULSSA-N	261.321	1.660	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc[n+]([O-])cc1	753636208	KUPMDMYYPXFIDY-JTQLQIEISA-N	288.303	1.092	10	20	CDCD	
Oc1ccc(Cl)c(F)c1CN[C@H]1COC[C@H]1O	865666736	UZRPFDSIKAXBSK-WCBMZHEXSA-N	261.680	1.034	10	20	CDCD	
CN(C)c1cc(F)c(CN2C[C@H]3C[C@@]3(CO)C2)cc1F	862336592	JCNWKBHYRXMXIT-ABAIWWIYSA-N	282.334	1.845	10	20	CDCD	
CCOc1ccc([C@H]2NC(=O)[C@H]3CSCCN32)c(O)c1	765518359	BEUZOGYQXZYULM-YPMHNXCESA-N	294.376	1.337	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)c1ccc2c(c1)OCO2	768914783	ZYPCWJWLTULULS-UHFFFAOYSA-N	287.271	1.757	10	20	CDCD	
CCN(Cc1cc2c(cc1O)OC[C@H]2O)C[C@@H]1CCOC1	768446511	KSYCRCDHKQUUSK-XHDPSFHLSA-N	293.363	1.676	10	20	CDCD	
CCC1(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)COC1	773751645	SKKNYSHAFMDZAJ-SNVBAGLBSA-N	279.336	1.572	10	20	CDCD	
CCOc1ccc(CN2C[C@@H]3CNC[C@H]3C2)c(O)c1	770395732	UKXPYMDENSAIFY-STQMWFEESA-N	262.353	1.442	10	20	CDCD	
C[C@H](NC(=O)NCC(C)(C)O)c1ccc(N(C)C)cc1	776250322	UJERJKUCICMKJJ-NSHDSACASA-N	279.384	1.884	10	20	CDCD	
Cc1cc(C)n(CCC(=O)NCc2ccc(O)c(O)c2)n1	778921444	AZVLSXGNGPXIMM-UHFFFAOYSA-N	289.335	1.618	10	20	CDCD	
Cc1cc(Cn2cc(C(C)(C)O)nn2)ccc1N(C)C	881378347	NHUJVCRVMFSVLN-UHFFFAOYSA-N	274.368	1.928	10	20	CDCD	
C[C@H](NCCN1CCNC1=O)c1cc(Cl)ccc1O	886745524	ZORDZAAUEOFULJ-VIFPVBQESA-N	283.759	1.721	10	20	CDCD	
C[C@@H]1CN(Cc2c(O)cccc2Br)C[C@H]1O	897679383	JUAXSUKOIDRTFR-PRHODGIISA-N	286.169	1.967	10	20	CDCD	
C[C@H](NC(=O)NCCOCCCN)c1ccccc1O	892291899	QUYOTTUSCVURND-NSHDSACASA-N	281.356	1.118	10	20	CDCD	
Cc1cc(C(=O)Nc2nc(C3=S=CC=C3)n[nH]2)ccn1	789929665	VPWNKLGXOSHIIS-UHFFFAOYSA-N	285.332	1.386	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@H]1CO	893053024	JYARZQPCDTUUGN-AWEZNQCLSA-N	277.368	1.337	10	20	CDCD	
CCCn1cc(NC(=O)c2cccc(O)c2O)ccc1=O	790546928	RWAGYDOACFONGS-UHFFFAOYSA-N	288.303	1.922	10	20	CDCD	
COc1ccc(CNC(=O)c2ccc3cccnn23)c(O)c1	794380631	FYDASNBZMXWVKZ-UHFFFAOYSA-N	297.314	1.979	10	20	CDCD	
COc1cccc(CNc2ccc(-n3cncn3)cn2)c1O	791002009	DUBDGVSPGQJUFZ-UHFFFAOYSA-N	297.318	1.989	10	20	CDCD	
CN(C)c1ccc(CN(C)c2cncc(C(=O)O)n2)cc1	1151588501	KTLPYAAZISWFFD-UHFFFAOYSA-N	286.335	1.877	10	20	CDCD	
CO[C@H]1CN(Cc2ccc(C)cc2O)C[C@H]1OC	877474802	GJFJSJLMTMQNOJ-OKILXGFUSA-N	251.326	1.546	10	20	CDCD	
CC[C@@H](COC)NCc1cc2c(cc1O)OCO2	79735205	GPQODUBJGBLGHC-JTQLQIEISA-N	253.298	1.636	10	20	CDCD	
CC[C@@H](C)[C@H](C)NC(=O)C(=O)NCCc1ccc(N)cc1	1328732394	KPENLOMVTZQPKF-NEPJUHHUSA-N	291.395	1.478	10	20	CDCD	
C[C@H]1C[C@@H](NC(=O)N[C@H](C)c2ccccc2O)C(=O)O1	1333808270	GRAFBULPPARRLL-IQJOONFLSA-N	278.308	1.456	10	20	CDCD	
CCn1c(N(C)Cc2ccccc2O)nnc1C1(O)CC1	1356516165	ZAGJQGQXOIZUTE-UHFFFAOYSA-N	288.351	1.621	10	20	CDCD	
CCN(C)c1ccc([C@@H](C)NCCS(C)(=O)=O)cc1	164780622	MWZCPNDHXYKHNC-GFCCVEGCSA-N	284.425	1.838	10	20	CDCD	
Nc1ccc(CC(=O)NCC[C@H]2CSCCN2)cc1	1353948989	OPRQXABVPOCXDY-ZDUSSCGKSA-N	279.409	1.023	10	20	CDCD	
CCO[C@@H]1C[C@@H]1C(=O)NCc1cccc(O)c1O	1520510108	WQEMEXHWTMTONI-GXSJLCMTSA-N	251.282	1.139	10	20	CDCD	
C[C@H](NC[C@H](C)N(C)C)c1cccc(-c2nn[nH]n2)c1O	1589956838	DQTHWYVJNBNNID-UWVGGRQHSA-N	290.371	1.173	10	20	CDCD	
CCN(C)c1ccc(CNC[C@@](C)(O)CC(=O)O)c(C)c1	1776856839	PSWYXBRCSBZZJV-INIZCTEOSA-N	294.395	1.766	10	20	CDCD	
CN(C)c1ccc(CNC(=O)C2(CN)CCCC2)cc1	128018743	JXZQAABVQLGPBK-UHFFFAOYSA-N	275.396	1.888	10	20	CDCD	
CC(C)(CO)CNCc1ccc(N2CCOCC2)cc1	128912459	OZHJBLHTGJVIEF-UHFFFAOYSA-N	278.396	1.631	10	20	CDCD	
CC(=O)N1CCC(NCc2ccc(N(C)C)cc2)CC1	35011575	RTQOGFGUIQNJRU-UHFFFAOYSA-N	275.396	1.853	10	20	CDCD	
COc1ccc(O)c(CN[C@@H](CO)C[C@@H]2CCCO2)c1	895746116	BVZJCGYFPXSJPB-OCCSQVGLSA-N	281.352	1.420	10	20	CDCD	
OC[C@@H](C[C@@H]1CCCO1)NCc1ccccc1O	886229554	ROCAYSMPNDEALI-OLZOCXBDSA-N	251.326	1.412	10	20	CDCD	
CCOc1ccc(O)c(CNC[C@@](C)(O)CCOC)c1	172072809	QCDWIYPHOGMGMS-HNNXBMFYSA-N	283.368	1.668	10	20	CDCD	
O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1COCCO1	174518108	HKJCNWFQSNRBJR-HNNXBMFYSA-N	291.347	1.303	10	20	CDCD	
C[C@@H]1OCC[C@@]1(O)CN[C@H]1CCc2cccc(O)c21	311954023	YGLJHKFYIOADAE-ITDIGPHOSA-N	263.337	1.509	10	20	CDCD	
C[C@@H](N[C@H]1CCOC1=O)c1ccc(N2CCOCC2)cc1	112536867	ZXFFRJNLIKYUMB-DOMZBBRYSA-N	290.363	1.489	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N[C@@](C)(CO)C2CC2)cc1	304838391	ORKPBCNIAVMGEZ-INIZCTEOSA-N	291.395	1.713	10	20	CDCD	
COC(=O)[C@H](C)CN(C)Cc1ccc(N(C)C)cc1	127497098	SZKBUXIPFJPZMX-GFCCVEGCSA-N	264.369	1.994	10	20	CDCD	
COCCN(C)CCNCc1cccc(C)c1O	124759011	ACEPEHOZZIQXAL-UHFFFAOYSA-N	252.358	1.368	10	20	CDCD	
CC1(C)C(=O)NCCN1Cc1cc(F)ccc1O	180072960	DDXININAQBQYQS-UHFFFAOYSA-N	252.289	1.242	10	20	CDCD	
Cc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)c(O)c1O	182504461	WOYHNPZVSYDNMF-LLVKDONJSA-N	278.352	1.572	10	20	CDCD	
CCN(CC)C[C@H]1CCN(C(=O)c2cccc(O)c2O)C1	193107022	NKPPYISQYIQPRP-GFCCVEGCSA-N	292.379	1.902	10	20	CDCD	
CC(C)c1nncn1CCNC(=O)Cc1ccc(N)cc1	236860991	ZBECGGXSQLZSNF-UHFFFAOYSA-N	287.367	1.343	10	20	CDCD	
C[C@H]1CN(Cc2cc(F)ccc2O)C[C@@H](CO)O1	249509479	ZKWDGRYFFMKPII-CABZTGNLSA-N	255.289	1.113	10	20	CDCD	
C[C@H](O)CCN[C@@H](C)c1cc([N+](=O)[O-])ccc1O	273604000	SNXDQFRPPYJMTB-IUCAKERBSA-N	254.286	1.722	10	20	CDCD	
COC[C@H](CN[C@@H](C)c1cc([N+](=O)[O-])ccc1O)OC	273423957	JWWCMUKNBGIESB-ONGXEEELSA-N	284.312	1.612	10	20	CDCD	
COc1cccc(CN2CC[C@@](O)(C3CC3)C2)c1O	369676206	MTSSDOPHJTYJDP-HNNXBMFYSA-N	263.337	1.748	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C(C)(F)F	289064402	BBVVTLFGUPFYEE-ZETCQYMHSA-N	259.252	1.800	10	20	CDCD	
CCOc1ccc(O)c(CN2CC[C@@](C)(C(N)=O)C2)c1	280370600	VEZYMZMYGVTRNV-OAHLLOKOSA-N	278.352	1.488	10	20	CDCD	
C[C@H]1CN(C)CC[C@@H]1N(C)Cc1cc2c(cc1O)OCO2	809765893	RPKJHEGOPVDXJP-AAEUAGOBSA-N	292.379	1.893	10	20	CDCD	
Cc1cc(C)c([C@@H](C)NCCOCCO)c(O)c1	293589741	FIHVPMSDYVLXFE-GFCCVEGCSA-N	253.342	1.669	10	20	CDCD	
C[C@H](OC[C@H]1CCCCO1)C(=O)NCc1ccccc1O	299602290	VUIIUBQRUKWFLK-GXTWGEPZSA-N	293.363	1.983	10	20	CDCD	
COC(=O)c1cc(C(=O)NCc2ccc(O)c(O)c2)c[nH]1	815835792	FXNOGEORNSHWKJ-UHFFFAOYSA-N	290.275	1.143	10	20	CDCD	
CC[C@@H]1CN(C)CCN1C(=O)c1ccc(C)c(O)c1O	818977860	NMOHCPSNWZRXGC-LLVKDONJSA-N	278.352	1.572	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)CCc1ccn(C)n1	815797051	ZEHQJGBBHYUPRK-UHFFFAOYSA-N	273.336	1.717	10	20	CDCD	
CC[C@@](C)(CC(=O)O)NCc1cc2c(cc1O)OCO2	828664675	FKOVBSPDKWHZMQ-AWEZNQCLSA-N	281.308	1.854	10	20	CDCD	
CN1C(=O)/C(=C/c2ccc(-c3nn[nH]n3)o2)SC1=S	821619495	ZQLOUEZFRYUULQ-DAXSKMNVSA-N	293.333	1.291	10	20	CDCD	
CCN(CCNC(=O)c1c(F)ccc(O)c1O)C(C)C	825688087	DUFPOZGISPJYFG-UHFFFAOYSA-N	284.331	1.697	10	20	CDCD	
C[C@@H](Cc1cnn(C)c1)NC(=O)NCc1ccccc1O	836630655	ZEJRVQYYUIENSS-NSHDSACASA-N	288.351	1.556	10	20	CDCD	
Cc1ccc(C(=O)N(C)C[C@@H](C)C(=O)O)c(O)c1O	832912744	ZMAQWKABBUOYTM-MRVPVSSYSA-N	267.281	1.199	10	20	CDCD	
COC[C@H](O)CN1CCCc2cc(OC)cc(OC)c21	839654831	AWTBCZVEVWRHDT-GFCCVEGCSA-N	281.352	1.464	10	20	CDCD	
O=C(O)[C@H](O)C1CCN(Cc2cc(F)ccc2O)CC1	833771138	WLIBSJLRRUQZHP-CYBMUJFWSA-N	283.299	1.189	10	20	CDCD	
C[C@H](NC(=O)NCCc1ccc(N)cc1)c1cnn(C)c1	841834372	PNJAHVYPTWUIGA-NSHDSACASA-N	287.367	1.605	10	20	CDCD	
C[C@H](CC(=O)NCc1ccc(O)c(O)c1)n1ccnc1	845834133	LXIIDLHVQSZFQH-SNVBAGLBSA-N	275.308	1.562	10	20	CDCD	
CCc1cccc(CN(C)CC(C)(CO)CO)c1O	848885893	CBSPOJCVUAKPMB-UHFFFAOYSA-N	267.369	1.377	10	20	CDCD	
CS[C@@H]1CCN(Cc2cc3c(cc2O)OC[C@H]3O)C1	840112511	DFGRXBSKPGWQLY-ZWNOBZJWSA-N	281.377	1.755	10	20	CDCD	
C[C@H](NC(=O)Nc1ccc(N)cc1)[C@@H](C)N1CCOCC1	841299902	JREXHJYHLIPRAN-NWDGAFQWSA-N	292.383	1.500	10	20	CDCD	
O=C(CN1CCCC1=O)NCc1cc(Cl)ccc1O	846480325	VKAVRFQBFGJTOQ-UHFFFAOYSA-N	282.727	1.284	10	20	CDCD	
COc1cccc(CN2CC[C@]3(CCCN3)C2)c1O	841105251	CRNLFKBAFRAWFV-OAHLLOKOSA-N	262.353	1.729	10	20	CDCD	
C[C@H](N)[C@H]1CN(Cc2cccc(F)c2O)CCO1	843056798	AFCRYVZFFSENJO-JOYOIKCWSA-N	254.305	1.079	10	20	CDCD	
C[C@H](NCCc1cnccn1)c1cc([N+](=O)[O-])ccc1O	756787728	RDDMDMRINZJXHP-JTQLQIEISA-N	288.307	1.984	10	20	CDCD	
COC(=O)CCCCOC(=O)/C=C\c1ccc(O)c(O)c1	859600953	NRXGVHHAZLLJFE-VURMDHGXSA-N	294.303	1.998	10	20	CDCD	
COc1cccc(CN[C@@H](C)C2(CO)CC2)c1O	696018009	KZTGZIPFFDCEPH-JTQLQIEISA-N	251.326	1.651	10	20	CDCD	
Cc1ccc([C@H](C)NCc2nc(O)cc(CN)n2)c(O)c1	854232643	QJJYAWXQJDKCEG-JTQLQIEISA-N	288.351	1.506	10	20	CDCD	
Cc1ccc(CN(C)CC(C)(CO)CO)c(O)c1	876748050	TXJPGIATYQGSPS-UHFFFAOYSA-N	253.342	1.123	10	20	CDCD	
CCN(C)c1ccc(CN2CCC(NC(N)=O)CC2)cc1	773754962	QCZLXFGNBQBNAS-UHFFFAOYSA-N	290.411	1.775	10	20	CDCD	
CN(C[C@@H](O)C1CC1)C(=O)/C=C/c1ccc(O)c(O)c1	779529854	VXOAYZAKOVVVQX-UFZAZABTSA-N	277.320	1.340	10	20	CDCD	
CCN(C)c1ccc(CN2CCCS(=O)(=O)CC2)cc1	773748781	BAKHHILCXDYGLV-UHFFFAOYSA-N	296.436	1.763	10	20	CDCD	
O=C(COC(=O)[C@@H]1[C@H]2CCC[C@H]21)c1ccc(O)c(O)c1	784565885	PBLYLVJCLUOKRO-MSRIBSCDSA-N	276.288	1.870	10	20	CDCD	
Cc1ccc(C(=O)N[C@H](C)C[C@H]2CCOC2)c(O)c1O	780969434	QNUFVQFQFVJGSC-GHMZBOCLSA-N	279.336	1.951	10	20	CDCD	
CCOc1ccc(O)c(CN2C[C@H](C)[C@H](O)C2)c1	897684687	VEXIDDYYVOLFPN-IINYFYTJSA-N	251.326	1.604	10	20	CDCD	
Cc1cc(O)c(CN[C@H]2CCOC2=O)cc1Cl	895808420	MGURPHHTEVQEHJ-JTQLQIEISA-N	255.701	1.759	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)NC[C@H]2C[C@@H](N)C2)c1	892562963	PDICFLMXYXOMOY-GARJFASQSA-N	293.367	1.498	10	20	CDCD	
Cc1cc(O)c(CN2CC[C@H](CS(N)(=O)=O)C2)cc1C	897057524	DZHYSFTZKJROLT-LBPRGKRZSA-N	298.408	1.119	10	20	CDCD	
CCN[C@@H](C)C[C@H](C)NC(=O)c1cc(OC)nc(OC)c1	1134871039	CBONRJBZBZRFAA-QWRGUYRKSA-N	295.383	1.605	10	20	CDCD	
CC[C@H](C(=O)NCc1ccccc1O)C(=O)OC	790794166	MJDXANVHXWBGRB-SNVBAGLBSA-N	251.282	1.208	10	20	CDCD	
C[C@H]1CN(Cc2ccc(N3CCCC3)cc2)C[C@@H](CO)O1	1320642710	GQVMYZDYFJBWIH-YOEHRIQHSA-N	290.407	1.868	10	20	CDCD	
CC(C)CC[C@@H](N)C(=O)NCc1ccccc1O	704516271	PWHUPSCVUQBCOA-GFCCVEGCSA-N	250.342	1.772	10	20	CDCD	
COc1cccc([C@H](C)NCC(=O)NCC(C)C)c1O	1329675555	PUZRKAZFVJWTHX-NSHDSACASA-N	280.368	1.824	10	20	CDCD	
CC(C)SCC(=O)NCCc1ccc(O)c(O)c1	762268246	BYAOBVCKGVCTET-UHFFFAOYSA-N	269.366	1.898	10	20	CDCD	
C[C@H]1COC[C@H]1NCc1cc2c(cc1O)OCO2	699833192	FTUNHDZZUPZAEC-WCBMZHEXSA-N	251.282	1.245	10	20	CDCD	
O=C(O)[C@@H](CF)NCc1ccc2c(c1)CCCO2	1608532166	AWGLQZFOQFVHKK-LLVKDONJSA-N	253.273	1.524	10	20	CDCD	
COc1ccc(O)c(CNc2cnn(CC(=O)O)c2C)c1	1607277714	PKVCEJIFXWBERG-UHFFFAOYSA-N	291.307	1.602	10	20	CDCD	
Cc1cc(O)ccc1NS(=O)(=O)CC(C)(C)C(=O)O	1610475373	CWUMVVGRSXOWFD-UHFFFAOYSA-N	287.337	1.553	10	20	CDCD	
O=C1CC[C@@H](C(=O)NCc2c(O)ccc3c2CCCC3)N1	156336919	SBUDUXYGOGBTSI-ZDUSSCGKSA-N	288.347	1.166	10	20	CDCD	
C[C@@]1(N)CCCC[C@H]1C(=O)NCc1ccccc1O	828015727	LDGANTIXLXVMIE-SWLSCSKDSA-N	262.353	1.916	10	20	CDCD	
COc1cc(Cl)cc(CN2CC(C)(C(=O)O)C2)c1O	399150272	FPSQLLFWVLUFEM-UHFFFAOYSA-N	285.727	1.961	10	20	CDCD	
COCCc1noc(CN(C)c2ccc(N)cc2)n1	863557097	IGINHGLSLNAKAA-UHFFFAOYSA-N	262.313	1.477	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)NC2CCOCC2)c1	171741570	RJVCICRAXAUJJK-JTQLQIEISA-N	294.351	1.940	10	20	CDCD	
CCNC(=O)CN(C)Cc1cccc(Cl)c1O	124559708	JBIPKGVYQGCGLG-UHFFFAOYSA-N	256.733	1.614	10	20	CDCD	
Cc1cccc(CN[C@H]2CCCS(=O)(=O)C2)c1O	124837642	CDYVAPYTQQHVIR-LBPRGKRZSA-N	269.366	1.367	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)N[C@@H](C)CO)cc1	79986592	DUVUMZITZDCNDU-LBPRGKRZSA-N	279.384	1.713	10	20	CDCD	
C[C@H](NC(=O)N(C)Cc1ccccc1O)C(=O)N(C)C	79482575	ZMWFMADKISGBMJ-JTQLQIEISA-N	279.340	1.010	10	20	CDCD	
CCCCCN(CC(N)=O)Cc1ccccc1O	180809199	OWXDTERITCHPCF-UHFFFAOYSA-N	250.342	1.870	10	20	CDCD	
C[C@H](NCCCN1CCC(O)CC1)c1ccccc1O	183441837	RZNRXFBVEDCCJT-ZDUSSCGKSA-N	278.396	1.890	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)c1cnn(C2CC2)c1	528856921	IMEYPQWBOMFUAC-UHFFFAOYSA-N	287.319	1.602	10	20	CDCD	
CC[C@@H](OC)C(=O)N1CCOc2cc(N(C)C)ccc21	266344738	NNQRGANTWXFRIL-CYBMUJFWSA-N	278.352	1.903	10	20	CDCD	
Cc1[nH]cnc1CC(=O)NCc1ccc2c(c1)CCCN2C	278770141	GQWYODJAMHOCTF-UHFFFAOYSA-N	298.390	1.959	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@]1(O)CCSC1	274972151	WGFXGMKHNULQGT-LKFCYVNXSA-N	297.376	1.013	10	20	CDCD	
CCn1nc(C)c(C(=O)NCc2ccc(O)c(O)c2)c1C	272336440	NROYCXLUSRWVKS-UHFFFAOYSA-N	289.335	1.861	10	20	CDCD	
Oc1cc2c(cc1CNCCC1(O)CCOCC1)OCO2	285365419	BTVIYHBRZOMVLT-UHFFFAOYSA-N	295.335	1.142	10	20	CDCD	
Cc1cc(O)ccc1NS(=O)(=O)c1cn(C)nc1C	288642741	XMKXNCXPSQNLHN-UHFFFAOYSA-N	281.337	1.543	10	20	CDCD	
CC(=O)C(=O)COC(=O)c1cncc(Br)c1	808488163	BSSAVYIMTJKYRG-UHFFFAOYSA-N	286.081	1.159	10	20	CDCD	
COc1cccc(O)c1CN1CCC(F)(F)[C@H](CO)C1	812775153	HNNZGSKMDGGCTH-JTQLQIEISA-N	287.306	1.850	10	20	CDCD	
CC[C@H](N)CN[C@@H](C)c1cc(C(=O)OC)ccc1O	817980840	XJJFXCJPBDAUGP-ONGXEEELSA-N	266.341	1.567	10	20	CDCD	
CNC[C@@H](C)C(=O)N[C@H](C)c1cc(OC)ccc1O	828666211	BVLMDAAUXHLRDG-NXEZZACHSA-N	266.341	1.434	10	20	CDCD	
CC[C@@H](NCc1ccc(N2CCN(C)CC2)cc1)C(=O)O	820419153	MWGJFGIHCRJJMY-OAHLLOKOSA-N	291.395	1.391	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)NCCCON)c1	902424800	LKDVIZKRGFVDQD-VIFPVBQESA-N	268.313	1.110	10	20	CDCD	
COc1cc(O)ccc1NS(=O)(=O)c1c(C)cnn1C	901704304	PQXWTJRNSUFWBA-UHFFFAOYSA-N	297.336	1.244	10	20	CDCD	
C[C@@H]1COC[C@H]1NC(=O)c1c(F)ccc(O)c1O	900676762	IHFDQIUYLPOYKD-HTRCEHHLSA-N	255.245	1.002	10	20	CDCD	
Cc1ccc(C(=O)NC[C@@H]2CC[C@@H](C)O2)c(O)c1O	837282817	MMPLSTMILMZNMO-ZJUUUORDSA-N	265.309	1.704	10	20	CDCD	
CC(=O)c1cc(F)cc(CN[C@@H](C)[C@@H](C)C(=O)O)c1O	846228868	RSDPALRJPRWODM-SFYZADRCSA-N	283.299	1.933	10	20	CDCD	
CCc1cccc(CN2CCc3nn(C)c(=O)cc3C2)c1O	848890757	URJSCRHYFUZGSG-UHFFFAOYSA-N	299.374	1.607	10	20	CDCD	
COc1cc(O)c(CN2[C@@H](C)CC[C@H]2C(=O)O)cc1OC	844932835	ACVIFTLLSHXDOZ-ONGXEEELSA-N	295.335	1.847	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NCC(C)(C)N)cc1F	841760274	JOROFLHVBKJSOI-UHFFFAOYSA-N	282.363	1.428	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1CC[C@H](S(C)(=O)=O)C1	840942838	HIHKFGBWEFNOOR-HNNXBMFYSA-N	296.436	1.680	10	20	CDCD	
COCC[C@@H](C)CNC(=O)NCc1ccccc1O	840278079	YNQNRHCKZWDISZ-LLVKDONJSA-N	266.341	1.864	10	20	CDCD	
C[C@H](O)C[C@H](C)CNC(=O)NCCc1ccc(N)cc1	841954181	JMKNTZIMXSJGMY-RYUDHWBXSA-N	279.384	1.518	10	20	CDCD	
CO[C@H]1CN(Cc2ccc(N(C)C)cc2C)C[C@H]1OC	840942321	ZHSPYKJCVJVBMX-IYBDPMFKSA-N	278.396	1.907	10	20	CDCD	
COc1cccc(CN2CCC[C@@H](CO)[C@@H]2C)c1O	840976435	BWKGEKGSEXZCND-AAEUAGOBSA-N	265.353	1.994	10	20	CDCD	
CN1CCN(c2ccc(CN(C)CCCN)cc2)CC1	843051362	XETNTOQLOSGSHC-UHFFFAOYSA-N	276.428	1.219	10	20	CDCD	
Cn1cc([C@@H](O)C(=O)NCc2cc(Cl)ccc2O)cn1	857548387	LFOFCGXRHKFQMX-GFCCVEGCSA-N	295.726	1.129	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCC[C@H](c2nc(O)n[nH]2)C1	854364622	HIJRNQDYXIAGBB-ZETCQYMHSA-N	294.336	1.297	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CCOC1	752253969	BYHHXULNTGBOAL-ZDUSSCGKSA-N	277.368	1.649	10	20	CDCD	
CNC[C@H](C)NC(=O)NCCCSc1nccs1	851657436	AXNKDGLDHYQEIG-VIFPVBQESA-N	288.442	1.532	10	20	CDCD	
COC(=O)C(C)(C)N(C)Cc1cc2c(cc1O)OCO2	769305037	GVLNXBDHLYFQGR-UHFFFAOYSA-N	281.308	1.504	10	20	CDCD	
Nc1ccc(CNC(=O)c2cn3c(n2)CCCC3)cc1	696180112	YMGJWWLXFVVVOA-UHFFFAOYSA-N	270.336	1.732	10	20	CDCD	
O=C1CN(Cc2c(O)cccc2Br)CCN1	862211719	BKAZBXUEZPDKAG-UHFFFAOYSA-N	285.141	1.087	10	20	CDCD	
C[C@@H](NC(=S)NCC(=O)N(C)C)c1ccccc1O	865269757	YYCJTBAMNCRYIZ-SECBINFHSA-N	281.381	1.006	10	20	CDCD	
CN(C)c1cc(F)c(CN2CC[C@@H](CO)C2)cc1F	862237748	VLUMGRCELUQWNO-SNVBAGLBSA-N	270.323	1.845	10	20	CDCD	
CCOc1ccc(CN2CCS(=O)(=O)C[C@H]2C)c(O)c1	769447015	FPTJJSLXQDDSHA-LLVKDONJSA-N	299.392	1.410	10	20	CDCD	
CCOc1ccc(CNCC2(O)CC(OCC)C2)c(O)c1	767738766	NLNOQOOLMHLQGD-UHFFFAOYSA-N	295.379	1.811	10	20	CDCD	
Cc1ccc(CNCC2(C(N)=O)CCOCC2)c(O)c1	876930228	UKYODDHFMUQCSJ-UHFFFAOYSA-N	278.352	1.072	10	20	CDCD	
CCOc1cccc(CN2CCSC[C@H]2CO)c1O	877779893	HOOPUCUPMIWOCL-GFCCVEGCSA-N	283.393	1.701	10	20	CDCD	
CCOc1ccc(CNC[C@H]2C[C@H](O)C2)c(O)c1	873177365	HXEPUICAAJRGOR-UMSPYCQHSA-N	251.326	1.651	10	20	CDCD	
CC[C@H](C)[C@@](C)(O)CNC(=O)NCc1ccc(N)cc1	1120681982	SGGGBTJFUPLVCM-NHYWBVRUSA-N	279.384	1.865	10	20	CDCD	
CCn1cnnc1CN[C@H](C)c1c(O)cccc1F	886504955	AMUWKDZOMIQQMN-SECBINFHSA-N	264.304	1.994	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNCC[C@@H](C)N(C)C)c1O	895293168	GMGSJGNHNFROHE-SNVBAGLBSA-N	297.355	1.739	10	20	CDCD	
C[C@H]1C[C@@H](C(=O)NCc2ccc(N(C)C)cc2)CO1	784029712	FRUDOQGIULWECY-WCQYABFASA-N	262.353	1.794	10	20	CDCD	
Cc1cc(C)c(O)c(CN2CC[C@H](S(C)(=O)=O)C2)c1	799950021	BLHPLFHVDLLBDK-ZDUSSCGKSA-N	283.393	1.628	10	20	CDCD	
CN1C(=O)C(=Cc2ccc3occc3c2)C(=O)N(C)C1=O	794687930	IYXSTPOMAWQFNX-UHFFFAOYSA-N	284.271	1.867	10	20	CDCD	
C[C@H]1c2nncn2CCN1C(=O)c1cc(O)cs1	792509086	IRFGEVXDXDESMH-ZETCQYMHSA-N	264.310	1.262	10	20	CDCD	
COc1ccc(CNC(=O)CCn2cccc2)c(O)c1	794378291	UIIDHORIXVWHAX-UHFFFAOYSA-N	274.320	1.909	10	20	CDCD	
CCOc1ccc(CNC[C@@H](CO)[C@@H]2CCOC2)c(O)c1	795581238	GSIKJWVKZDNSRI-KGLIPLIRSA-N	295.379	1.526	10	20	CDCD	
COc1ccc(CNC(=O)C2=CCCCO2)c(O)c1	794383439	NVTPIPPKBVCTDC-UHFFFAOYSA-N	263.293	1.711	10	20	CDCD	
C[C@]1(C(N)=O)CCN(Cc2cc(Cl)cc(F)c2O)C1	793388680	DYJVIIKLYZNUMH-ZDUSSCGKSA-N	286.734	1.882	10	20	CDCD	
CN(C)c1ccc(CN(C)S(=O)(=O)N2CCC2)cc1	795774305	GTRSAQHQZBGGGL-UHFFFAOYSA-N	283.397	1.135	10	20	CDCD	
CCN1CCN(Cc2cc3c(cc2O)OCO3)C[C@H]1C	250266064	KKXJYSCIMMCLSZ-LLVKDONJSA-N	278.352	1.647	10	20	CDCD	
CO[C@H](C(=O)NCCc1ccc(O)c(O)c1)C1CC1	281723972	WWWRGLLONRFGOW-ZDUSSCGKSA-N	265.309	1.182	10	20	CDCD	
O=C(O)[C@H]1C=C[C@@H](NCc2cc(F)cc(F)c2O)C1	1339240704	MZTOUBIDSHDHCP-OIBJUYFYSA-N	269.247	1.789	10	20	CDCD	
Nc1ccc(CNC(=O)NC[C@H]2CCCNC2)cc1	1338625704	RFDGJZKBEWIMMI-LBPRGKRZSA-N	262.357	1.068	10	20	CDCD	
CCCOc1ccc(CN[C@@H](CCO)C(=O)O)cc1C	1333185175	HDWLTUQGONCBDD-ZDUSSCGKSA-N	281.352	1.709	10	20	CDCD	
CC(=O)N1CCN(C(=O)c2cc(O)cs2)C(C)(C)C1	1347741957	FRJOLNDVDLMERA-UHFFFAOYSA-N	282.365	1.537	10	20	CDCD	
Cc1cccc(CN2C[C@H]3COCC[C@@]3(C(=O)O)C2)c1O	1607851119	ZFRHDGKJQNFUKE-XJKSGUPXSA-N	291.347	1.624	10	20	CDCD	
O=C(O)Cc1occc1C(=O)NCc1c(O)cccc1F	1602155799	ZLOXGSKILBXYOO-UHFFFAOYSA-N	293.250	1.681	10	20	CDCD	
O=C(O)[C@@H]1OCC[C@@H]1NCc1ccc(N2CCCC2)cc1	1602202710	BAYWBYFBPALOOF-LSDHHAIUSA-N	290.363	1.619	10	20	CDCD	
CN(Cc1cccc(Cl)c1O)C[C@@H]1COCCO1	827141643	WIJSXEXVQDTWAR-LLVKDONJSA-N	271.744	1.893	10	20	CDCD	
CC[C@@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1O)C(=O)O	1593607312	XIWOHWHGGKZKOZ-GMSGAONNSA-N	268.269	1.814	10	20	CDCD	
CC(C)(CNCc1cc(F)c(F)cc1O)C(=O)O	1590756682	BTRKKKDSFKHQPL-UHFFFAOYSA-N	259.252	1.871	10	20	CDCD	
CC(C)N(C)S(=O)(=O)NCc1ccccc1O	158581811	LNUPEERDPZKVDA-UHFFFAOYSA-N	258.343	1.067	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H]1CCCN1	42168766	PKPQFYZQJATOSB-AWEZNQCLSA-N	275.396	1.853	10	20	CDCD	
CC(C)C[C@H](NCc1cc2c(cc1O)OCO2)C(=O)O	43434555	XTPLVZDYQYJZTO-JTQLQIEISA-N	281.308	1.710	10	20	CDCD	
NC[C@H]1CN(Cc2c(O)cccc2Cl)CCCO1	313356419	QMDAMWWOULFWPQ-JTQLQIEISA-N	270.760	1.595	10	20	CDCD	
COC[C@](C)(O)CNCc1c(O)cccc1Cl	382569229	QBIPYVVIZBCXJZ-GFCCVEGCSA-N	259.733	1.533	10	20	CDCD	
COc1cccc(CNC(=O)c2n[nH]c3c2CCC3)c1O	105651330	NZEVIYUNRWYCIH-UHFFFAOYSA-N	287.319	1.543	10	20	CDCD	
COC(=O)/C=C/c1ccc(N(C)C[C@H](C)O)c([N+](=O)[O-])c1	67905550	GYVJEFQDNWSNMO-STUBTGCMSA-N	294.307	1.598	10	20	CDCD	
COC[C@@H](NC(=O)N(C)Cc1ccccc1O)C1CC1	120007384	ORFHDGPBBULMGV-CYBMUJFWSA-N	278.352	1.959	10	20	CDCD	
CCOc1ccc(O)c(CN2CC[C@](C)(O)C2)c1	180197950	MSVSBUWKYYTSHW-AWEZNQCLSA-N	251.326	1.748	10	20	CDCD	
C[C@H]1C(=O)NCCN1Cc1cc(Br)ccc1O	123386311	INPBEMDCLDHEEJ-QMMMGPOBSA-N	299.168	1.475	10	20	CDCD	
CS[C@H](CO)[C@H](C)NCc1cc(C)ccc1O	219057122	ONVOSZUYPBTACD-GXFFZTMASA-N	255.383	1.903	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)[C@@H]1CCCOC1	156643003	GUUUATDQYMVPHA-LLVKDONJSA-N	265.309	1.183	10	20	CDCD	
C[C@H](C[C@@H](O)c1ccco1)NC(=O)c1cccc(O)c1O	185842979	IPIOCABZTKLSGO-BXKDBHETSA-N	291.303	1.933	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)C1(O)CCCC1	182546024	QUZMKECWNDQLLB-UHFFFAOYSA-N	251.282	1.019	10	20	CDCD	
CCOc1cccc(CN(C)[C@H](C)C(=O)O)c1O	86756662	SAWBRHKZPNIXDB-SECBINFHSA-N	253.298	1.696	10	20	CDCD	
CN(C)c1ccc(CNC(=O)C[C@H]2CCCO2)cc1	46741707	BNJOXPGESDMRAK-CQSZACIVSA-N	262.353	1.938	10	20	CDCD	
CCN(CC)[C@H]1CCN(C(=O)c2c(F)ccc(O)c2O)C1	276561351	IZUZNLICJMRNND-JTQLQIEISA-N	296.342	1.793	10	20	CDCD	
CC(C)[C@H](O)C1(CNC(=O)c2cccc(O)c2O)CC1	279845393	OKWSXMKNQLCJPG-ZDUSSCGKSA-N	279.336	1.625	10	20	CDCD	
COc1ccc(O)c(CN2CC[C@@H]([C@H](C)O)C2)c1	272584324	YQWHEKXWSYLHRK-WDEREUQCSA-N	251.326	1.604	10	20	CDCD	
Cc1ccc(C(=O)N[C@H]2CCN3CCCC[C@@H]23)c(O)c1O	271324432	YBUXKGJDRPLKHW-STQMWFEESA-N	290.363	1.763	10	20	CDCD	
Oc1ccc(F)cc1CN[C@@H]1CCO[C@@]2(CCOC2)C1	373143293	WSJIKSSHOUMUGV-HIFRSBDPSA-N	281.327	1.959	10	20	CDCD	
CC[C@@H](NCC1(CO)COC1)c1ccc(C)cc1O	280094035	MSCHTBFOZZKBNB-CYBMUJFWSA-N	265.353	1.750	10	20	CDCD	
COCC[C@H](CO)NCc1ccc(N(C)C)cc1	282126081	FZHNLLJXERETQA-CYBMUJFWSA-N	252.358	1.240	10	20	CDCD	
CO[C@H]1COC[C@@H]1NCc1ccc(N(C)C)c(F)c1	289832972	OLFSIHHUZINUTN-JSGCOSHPSA-N	268.332	1.395	10	20	CDCD	
C[C@H](Cn1cccn1)NC(=O)N(C)Cc1ccccc1O	298701816	HKTYPMDXCCUPJZ-GFCCVEGCSA-N	288.351	1.819	10	20	CDCD	
C[C@@H](C(=O)NCc1ccc(N(C)C)c(F)c1)n1cccn1	299300659	AIQJWSNNNRJFOW-NSHDSACASA-N	290.342	1.966	10	20	CDCD	
C[C@@H](NC[C@H]1CNCCCO1)c1ccc(F)cc1O	817981466	KOMOQWGRFBBURV-ZYHUDNBSSA-N	268.332	1.560	10	20	CDCD	
CC[C@@H](NC[C@@H]1CNCCCO1)c1ccc(F)cc1O	817982454	SPCCGDCMNMWMRR-GXTWGEPZSA-N	282.359	1.951	10	20	CDCD	
COCc1nc(CNC(=O)c2cc(O)cs2)cs1	812264401	ICNXYVAIWBXYRI-UHFFFAOYSA-N	284.362	1.987	10	20	CDCD	
Cc1cc(O)c(CN2CCN(CCO)CC2)cc1Cl	824473477	ANHOJDVVKSRDDJ-UHFFFAOYSA-N	284.787	1.464	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](C)N(C)C)c1	821064756	GYFNZJQSOCDVAG-NXEZZACHSA-N	266.341	1.528	10	20	CDCD	
CC(=O)NC1CCN(C(=O)c2cc(O)cs2)CC1	732280019	VRBWLSJTAMAQRG-UHFFFAOYSA-N	268.338	1.194	10	20	CDCD	
O=C(NCCCN1CCCCC1=O)c1cc(O)cs1	732289249	NNQNGIHDGAPQCH-UHFFFAOYSA-N	282.365	1.586	10	20	CDCD	
CC[C@H](N[C@@H]1COC[C@H]1O)c1cc(Cl)ccc1O	834895992	GPLTYXMDERFQPJ-DMDPSCGWSA-N	271.744	1.846	10	20	CDCD	
CO[C@H]1CCC[C@@H](C(=O)NCc2ccc(O)cc2O)C1	910943330	AEFTWEVCBVYPHT-MFKMUULPSA-N	279.336	1.919	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1C[C@@H]1C(=O)O	830643182	FFTIBVYKNCKZHL-MNOVXSKESA-N	290.319	1.199	10	20	CDCD	
N[C@@H](CNCc1ccc(N2CCOCC2)c(F)c1)C1CC1	841051858	ZNCQRYBWOCRLAA-HNNXBMFYSA-N	293.386	1.489	10	20	CDCD	
COC(=O)[C@@H]1CN(Cc2cccc(Cl)c2O)C[C@H](C)O1	846060746	SXLAXKJDKAQTPF-CABZTGNLSA-N	299.754	1.808	10	20	CDCD	
CC(C)[C@@H](O)COC(=O)/C=C/c1ccc(O)c(O)c1	849745818	ZNDNBFVUVHOHMA-BPJJOFIESA-N	266.293	1.671	10	20	CDCD	
CCN(CCO)CCNCc1ccc(N(C)C)cc1C	840938381	OGNWIIHDJQGEGG-UHFFFAOYSA-N	279.428	1.465	10	20	CDCD	
O=C(O)CN(Cc1ccccc1O)C(=O)[C@H]1CCCS1	911489073	OQPWWOULYZWZJB-GFCCVEGCSA-N	295.360	1.701	10	20	CDCD	
CCC(CC)CNC(=O)C(=O)Nc1ccc(N)cc1	841029216	MEKBVAADZYEWEP-UHFFFAOYSA-N	263.341	1.760	10	20	CDCD	
CCN(C)C(=O)CN(C)CCN(C)c1ccc(OC)cc1	844400242	YBZPGKSIAKTZQH-UHFFFAOYSA-N	293.411	1.542	10	20	CDCD	
CN(CC(C)(C)CN)C(=O)NCc1ccc(N(C)C)cc1	841656236	XVHSXKUDMIMYBN-UHFFFAOYSA-N	292.427	1.879	10	20	CDCD	
COc1cc2c(c(OC)c1)N(C[C@@H]1CCC(=O)N1)CCC2	844340683	BNWMHJFETPTYNA-LBPRGKRZSA-N	290.363	1.735	10	20	CDCD	
Nc1ccc(CCNC(=O)N[C@@H](CO)CC2CCC2)cc1	841955711	KZCAYOOHMZVRBF-OAHLLOKOSA-N	291.395	1.662	10	20	CDCD	
CN1CCN(c2ccc(CN[C@H](CO)CCF)cc2)CC1	846097420	INWQOEUZLFVSRS-HNNXBMFYSA-N	295.402	1.249	10	20	CDCD	
CCc1cccc(CNCCNc2cnccn2)c1O	848898075	PTHZVIRUYNJRDW-UHFFFAOYSA-N	272.352	1.946	10	20	CDCD	
Oc1ccc(Cl)c(F)c1CNCCN1CCNCC1	841044387	DQVOZNFALVQRCI-UHFFFAOYSA-N	287.766	1.180	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NC2CCN(C)CC2)c1	858272404	IDKPSGKWXSPXFQ-UHFFFAOYSA-N	277.368	1.594	10	20	CDCD	
CCOC[C@@H]1CN(Cc2ccc(C)cc2O)CCO1	877655972	RIPHWPMGHPYYRZ-AWEZNQCLSA-N	265.353	1.938	10	20	CDCD	
Cc1cc(C)c(C(=O)NCc2ccc(O)c(O)c2)c(O)n1	768918809	OEQVGJPRMJFBII-UHFFFAOYSA-N	288.303	1.745	10	20	CDCD	
CN1CC(=O)N[C@H]1c1cc(Br)cc(F)c1O	887325544	SXUHWDFNUPKFOE-SNVBAGLBSA-N	289.104	1.354	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1CCN(C2CC2)C1	779499314	MVHQIPPQHAQEOG-RDNKVPPGSA-N	288.347	1.464	10	20	CDCD	
Nc1ccc(CNC(=O)N2CCC3(CCOCC3)C2)cc1	1120591754	HXDQIHFQVDSJOK-UHFFFAOYSA-N	289.379	1.981	10	20	CDCD	
C[C@H](NC[C@@H](C)N1CCN(C)CC1)c1c(O)cccc1F	886524890	STLUZRJZKQLECJ-OLZOCXBDSA-N	295.402	1.818	10	20	CDCD	
CCNC(=O)CC(=O)NCc1ccc2c(c1)CCCN2C	780918853	YFEVXWJWUSXWHD-UHFFFAOYSA-N	289.379	1.211	10	20	CDCD	
CO[C@]1(C(=O)NCCc2ccc(N)cc2)CCSC1	884028331	DFJKISOGVVOVQH-CQSZACIVSA-N	280.393	1.450	10	20	CDCD	
CN(C)c1ccc(Cn2cc(C3CCNCC3)nn2)cc1	881272150	OBVHBUPFRAIZNL-UHFFFAOYSA-N	285.395	1.859	10	20	CDCD	
Nc1ccc(CNC(=O)NC[C@@H]2C[C@@H]3CC[C@H](C2)N3)cc1	1120642876	VLMSNLURWKKIEP-YOWGUQMCSA-N	288.395	1.599	10	20	CDCD	
Cn1cc(/C=C\C(=O)N2CCNC(=O)c3ccccc32)cn1	784160285	UCPBPNXDISUOCL-SREVYHEPSA-N	296.330	1.210	10	20	CDCD	
CCN(CCC(=O)NC)Cc1c(O)cccc1OC	897709301	ADYSZSGOASWPAZ-UHFFFAOYSA-N	266.341	1.359	10	20	CDCD	
CCC(=O)N1CC[C@H](NCc2cc(C)cc(OC)c2O)C1	894331270	CRPRWMFFIXDHAQ-ZDUSSCGKSA-N	292.379	1.810	10	20	CDCD	
CCN(CCC(=O)NC)Cc1ccc(OC)c(OC)c1O	897710045	WOSJXCWAKYELSN-UHFFFAOYSA-N	296.367	1.367	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)NCC[C@H](O)C1CC1	890719322	DSLGVDYKEDIZIM-DWMUBGRBSA-N	277.320	1.388	10	20	CDCD	
CC1=NO[C@H](CNCc2cc(F)cc(F)c2O)C1	895300086	SCPQFDOZPFUXAO-JTQLQIEISA-N	256.252	1.925	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)NC[C@@H]1COC(C)(C)O1	783273670	DHISXEHPJUQDSY-GFCCVEGCSA-N	294.351	1.685	10	20	CDCD	
Cc1ccc(C(=O)NOCCOC(C)C)c(O)c1O	795091262	RYPUVJFPERXWJD-UHFFFAOYSA-N	269.297	1.493	10	20	CDCD	
COC[C@H](C)NC(=O)NCc1ccc(OC)cc1O	792779919	LPMAIMHETROFCT-VIFPVBQESA-N	268.313	1.235	10	20	CDCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@H]2N[C@@H]1COC[C@@H]1O	1329375123	JENYJBAVVXDNEL-WGBDABJCSA-N	263.337	1.598	10	20	CDCD	
COc1cccc(CN2C[C@@H]3CN(C)C[C@@H]3C2)c1O	194539192	KIURFLSTCKYXDI-BETUJISGSA-N	262.353	1.394	10	20	CDCD	
CCOc1cccc(CN2CCNC[C@H]2C)c1O	722384215	CMBYBNWCRAASHA-LLVKDONJSA-N	250.342	1.585	10	20	CDCD	
COC[C@H](O)CCN[C@@H](C)c1ccc(N(C)C)cc1	90951394	VDRWVQGYZDQDRN-SWLSCSKDSA-N	266.385	1.801	10	20	CDCD	
Cc1oc(-c2nn[nH]n2)cc1C(=O)NCc1ccccc1O	1606168185	CYEYROOPXVVTAF-UHFFFAOYSA-N	299.290	1.404	10	20	CDCD	
C[C@](CCF)(NCc1cccc(F)c1O)C(=O)O	1592507017	QFEMIBORUKVTSM-GFCCVEGCSA-N	259.252	1.824	10	20	CDCD	
COc1cccc(O)c1CN(C)C[C@@H]1CCCN1C	817417472	NNNFUNZGQSYZIV-LBPRGKRZSA-N	264.369	1.927	10	20	CDCD	
C[C@@H](O)[C@@H](CO)NCc1ccc(N2CCCCC2)cc1	842220891	JJMAUONMIWJDRV-CZUORRHYSA-N	278.396	1.508	10	20	CDCD	
C[C@H](NCc1cc(F)cc(F)c1O)c1ncn(C)n1	708393766	IRMHVQHUFQEJGB-ZETCQYMHSA-N	268.267	1.650	10	20	CDCD	
COc1ccc(O)c([C@@H](C)N[C@@H]2CC[C@H](C(N)=O)C2)c1	825284536	ORHJGRFQHAJLJK-OUAUKWLOSA-N	278.352	1.705	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CCn2cccn2)cc1	8604862	CCYCPMLEBQXFAU-UHFFFAOYSA-N	272.352	1.656	10	20	CDCD	
CCNC(=O)CN(CC)Cc1cc(F)cc(C(C)=O)c1O	50155096	CEWDSLXZBDCWFJ-UHFFFAOYSA-N	296.342	1.692	10	20	CDCD	
Cc1ccc(C(=O)NCc2c(C)noc2C)c(O)c1O	177676361	WZHXXZVQQCSXKC-UHFFFAOYSA-N	276.292	1.941	10	20	CDCD	
CCNS(=O)(=O)NCCCSc1nccs1	172458003	HXXRZCOUHASYLG-UHFFFAOYSA-N	281.428	1.069	10	20	CDCD	
Oc1ccccc1CN1CCC[C@H](CN2CCOCC2)C1	179569355	HSXXMFGHBBZUNV-OAHLLOKOSA-N	290.407	1.936	10	20	CDCD	
O=C(Cc1ccc(O)cc1)NCc1ccc(O)c(O)c1	182511159	IZEIAFMGSVQHIY-UHFFFAOYSA-N	273.288	1.662	10	20	CDCD	
COc1cccc(CN2C[C@H](C)N[C@H](C)C2)c1O	70075096	ITTXLYKMEHBXKF-PHIMTYICSA-N	250.342	1.583	10	20	CDCD	
C[C@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)n1cncn1	45883444	BVUOVZFUJGQMFG-GFCCVEGCSA-N	287.367	1.564	10	20	CDCD	
C[C@H]1C[C@@H](O)CCN1C(=O)c1cccc(O)c1O	293998241	WZMDNVJDJNCHTG-IUCAKERBSA-N	251.282	1.083	10	20	CDCD	
C[C@H](O)CN(C)C(=O)NCc1ccc2c(c1)CCCN2C	91215528	JPTNGVMEPNKSBV-LBPRGKRZSA-N	291.395	1.591	10	20	CDCD	
O=C(NC[C@@H]1CCCCN1C1CC1)c1cccc(O)c1O	277438838	FEKRCXBYPBUNQI-LBPRGKRZSA-N	290.363	1.845	10	20	CDCD	
Cc1ccc(C(=O)N2CCN(C(C)C)C(=O)C2)c(O)c1O	273060324	YFPZEKKLVKAROO-UHFFFAOYSA-N	292.335	1.099	10	20	CDCD	
CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)c1c(F)ccc(O)c1O	276511598	BIBPEWJMLXZSCI-YLJLNXRRSA-N	295.310	1.780	10	20	CDCD	
Cc1c(CCC(=O)NCc2ccccc2O)cnn1C	270400579	PAKNTBWXVYGGPV-UHFFFAOYSA-N	273.336	1.683	10	20	CDCD	
Cc1nc(CCN[C@@H](C)c2cc([N+](=O)[O-])ccc2O)n[nH]1	273496511	XXVBGRSCLGEVRJ-QMMMGPOBSA-N	291.311	1.620	10	20	CDCD	
Nc1ccc(CC(=O)NC[C@H]2NCCc3ccccc32)cc1	375957540	LUMJARIYMBKUEM-QGZVFWFLSA-N	295.386	1.815	10	20	CDCD	
CC[C@H](NC[C@H](O)COC)c1ccc(C)cc1O	280245556	WGKSXEGTNDHLDC-AAEUAGOBSA-N	253.342	1.749	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)Cn1cc(Cl)cn1	806499224	DJGBLOYAYOQQLD-UHFFFAOYSA-N	279.727	1.901	10	20	CDCD	
CCOCCOC1CN(Cc2cc(C)ccc2O)C1	297833220	ZVKMLMFIEDKEKK-UHFFFAOYSA-N	265.353	1.938	10	20	CDCD	
C[C@@H](NCc1ccc(N(C)C)c(F)c1)C1CNC1	817901404	UYCZABSYDBMYCW-SNVBAGLBSA-N	251.349	1.589	10	20	CDCD	
C[C@H](NCCC(N)=O)c1ccc(N2CCOCC2)cc1	818978192	FPJYZWZSKFPZBJ-LBPRGKRZSA-N	277.368	1.049	10	20	CDCD	
Cc1nnc(CCNC(=O)c2cc(O)cs2)s1	811587741	GZIHXGRGOMDRQY-UHFFFAOYSA-N	269.351	1.586	10	20	CDCD	
CC(=O)NC(C)(C)C(=O)NCc1ccc(N(C)C)c(F)c1	726755558	BTZJQUAOVMYBCI-UHFFFAOYSA-N	295.358	1.423	10	20	CDCD	
COCC1(CC(=O)OCC(=O)c2ccc(O)c(O)c2)CC1	829888013	VTRDLWNYAZWJEC-UHFFFAOYSA-N	294.303	1.640	10	20	CDCD	
C[C@@H](NC(=O)N[C@@H]1CC[C@H]1O)c1ccc(N(C)C)cc1	824506453	WFAOYUHOWHVNOE-LERXQTSPSA-N	277.368	1.636	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](C)O	270747387	BLQZXHPRTZVLNH-LLVKDONJSA-N	250.342	1.482	10	20	CDCD	
C[C@H](O)CN(Cc1cc2c(cc1O)OCO2)C1CC1	848928963	QMPIZTVPVMXWPT-VIFPVBQESA-N	265.309	1.466	10	20	CDCD	
C[C@@H](Sc1ncc(Cl)s1)C(=O)NC(N)=O	849997909	GVSHVDPMTHNZFL-GSVOUGTGSA-N	265.747	1.472	10	20	CDCD	
Cc1nccc(CCC(=O)NCc2ccc(O)cc2O)n1	910943366	AWJYLIJUTSUEQG-UHFFFAOYSA-N	287.319	1.445	10	20	CDCD	
COc1cccc([C@H](C)NCCc2n[nH]c(C)n2)c1O	846162873	NLLOZKTZPUDJKD-VIFPVBQESA-N	276.340	1.721	10	20	CDCD	
CC[C@H](O)[C@@H](C)C(=O)N[C@H](C)c1ccccc1O	913763701	OQBPXUMGQNOWFP-FOGDFJRCSA-N	251.326	1.976	10	20	CDCD	
Cc1nn(C)cc1CN(C)c1ccc(OCC(=O)O)cc1	846279914	PXLRGOWBUBUPCU-UHFFFAOYSA-N	289.335	1.828	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1C)[C@@H]1CCNC1=O	840942414	KHTJVPRVQOUTLC-OAHLLOKOSA-N	275.396	1.771	10	20	CDCD	
Cc1nc(NCc2ccccc2O)c2cnn(C)c2n1	748307381	KVPOKKPEFNOGDE-UHFFFAOYSA-N	269.308	1.989	10	20	CDCD	
CCN[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1	1019854296	VZPQKIADTMKPMB-LBPRGKRZSA-N	289.339	1.673	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CC[C@@H]2C(N)=O)c1	847591373	UUFJPZPVCMYYDP-INTQDDNPSA-N	292.335	1.090	10	20	CDCD	
CC[C@](NC(=O)Cc1ccc(N)cc1)(C(N)=O)C(C)C	843493276	RTDSCDYAOWGDGD-OAHLLOKOSA-N	277.368	1.218	10	20	CDCD	
CN(C)c1ccc([C@H](N)CNC(=O)CCC(C)(C)N)cc1	843299086	RCJUZMWVVGNLHN-CQSZACIVSA-N	292.427	1.386	10	20	CDCD	
COc1cc(O)c(CN2CCCNCC2)cc1OC	843047673	VAHFDVNYJAWICJ-UHFFFAOYSA-N	266.341	1.205	10	20	CDCD	
CC(C)NC(=O)[C@H](C)NC(=O)/C=C\c1ccc(O)c(O)c1	840546177	DCYSNUSZGKFQHD-BXKUYDPTSA-N	292.335	1.140	10	20	CDCD	
CCN1CCN(C(=O)c2cc(O)cs2)C[C@@H]1C	754516854	YUCFBXMXBVWAFD-VIFPVBQESA-N	254.355	1.620	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H](CO)CCC(C)C)c(O)c1O	862778756	KNBKHOPSKRQAJG-LLVKDONJSA-N	281.352	1.933	10	20	CDCD	
COC(=O)N(C)CCNCc1ccc(C)cc1O	877633370	JAYFERZMGAMCLC-UHFFFAOYSA-N	252.314	1.488	10	20	CDCD	
O=C(OC[C@@H]1CC2(CC2)C(=O)O1)c1cccc(O)c1O	763248457	QZOSMIZTBYVPPP-QMMMGPOBSA-N	278.260	1.350	10	20	CDCD	
CCn1cc(C(=O)NCCc2ccc(O)c(O)c2)c(C)n1	860234829	KLCXAMPMQSUJDD-UHFFFAOYSA-N	289.335	1.595	10	20	CDCD	
CC(C)CCS(=O)(=O)NCc1ccc(O)cc1O	867417064	LWCCBGXQXYVMBW-UHFFFAOYSA-N	273.354	1.563	10	20	CDCD	
COc1cccc(O)c1CN1CCC(OC(C)=O)CC1	769427785	XTVXESNMHHQGPJ-UHFFFAOYSA-N	279.336	1.928	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H](CO)CC(F)F)c(O)c1O	760677148	KJZVQQQLOVGZET-SSDOTTSWSA-N	275.251	1.152	10	20	CDCD	
Cc1cc(C(=O)N2C[C@@H]3C[C@H]2CN3)c(C)n1-c1ccccn1	877168405	SXCJLTNTIVHSKR-KBPBESRZSA-N	296.374	1.675	10	20	CDCD	
Cc1cccc(O)c1CN1CCC[C@H](NC(=O)N(C)C)C1	877574359	HJYNSLJQCRCWHS-ZDUSSCGKSA-N	291.395	1.936	10	20	CDCD	
CCO[C@@H]1COCC[C@@H]1NCc1ccc(C)cc1O	877345218	YGIKGFZSVPCZMH-DZGCQCFKSA-N	265.353	1.984	10	20	CDCD	
COC[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)C(C)C	779526269	WWJPVJPGPFNYLM-HWPRWLFBSA-N	279.336	1.898	10	20	CDCD	
C[C@@H](CS(C)(=O)=O)N(Cc1ccc(N)cc1)C1CC1	1120262930	GKVYORIVRXDJTN-NSHDSACASA-N	282.409	1.666	10	20	CDCD	
COc1cc(O)c(CN2CCn3ncnc3C2)cc1OC	770664006	IDAJDXUKMSIYPT-UHFFFAOYSA-N	290.323	1.017	10	20	CDCD	
COCC1CN(Cc2ccc(N3CCOCC3)c(F)c2)C1	895971959	YYZKKHATJAFIQA-UHFFFAOYSA-N	294.370	1.741	10	20	CDCD	
CCCN(CCO)Cc1ccc(OC)c(OC)c1O	891484058	AZBQENKNUJYDGT-UHFFFAOYSA-N	269.341	1.614	10	20	CDCD	
CO[C@@]1(C(=O)N(C)Cc2ccccc2O)CCSC1	895756259	ULXICYCARIKYKJ-AWEZNQCLSA-N	281.377	1.873	10	20	CDCD	
CCN1CCN(Cc2ccc(OC)c(OC)c2O)CC1=O	893569174	NYTMYZSTQAQPEF-UHFFFAOYSA-N	294.351	1.074	10	20	CDCD	
CNC(=O)[C@H]1CCCN(Cc2cc(C)cc(OC)c2O)C1	894018719	BNRZXFPFWJJOFM-LBPRGKRZSA-N	292.379	1.667	10	20	CDCD	
Cc1ccc(N(C)C(=O)c2ccoc2CC(N)=O)cc1	795959142	QTTMGCKMNIXDPM-UHFFFAOYSA-N	272.304	1.892	10	20	CDCD	
COCCCOCC(=O)NCc1ccc(OC)cc1O	794381238	NGXRLSDNXJEVDG-UHFFFAOYSA-N	283.324	1.070	10	20	CDCD	
Nc1ccc(CNCCCOC[C@@H]2CCCO2)cc1	1356083542	RYYJLGWMBWYMRN-HNNXBMFYSA-N	264.369	1.944	10	20	CDCD	
C[C@H](N[C@H]1[C@@H]2CNC[C@@H]21)c1cc(F)cc(F)c1O	1325720693	GCIMOWXDJSXPOZ-IGYIBNOWSA-N	254.280	1.539	10	20	CDCD	
CN1CCC[C@H](NCc2ccc(N(C)C)cc2)C1=O	704337364	CVDZZQIPCYWGAU-AWEZNQCLSA-N	261.369	1.463	10	20	CDCD	
Oc1c(F)cc(F)cc1CNCC1OCCCO1	708420599	LAVSGHJAALARDJ-UHFFFAOYSA-N	259.252	1.523	10	20	CDCD	
CCCN(Cc1nnn(C)n1)Cc1ccccc1O	194433897	UWXJXDVBQRYSMR-UHFFFAOYSA-N	261.329	1.328	10	20	CDCD	
C[C@@H](NC(=O)C[C@H]1C=CS(=O)(=O)C1)c1ccccc1O	1331874005	PERGVMZHSBZMEU-GHMZBOCLSA-N	295.360	1.518	10	20	CDCD	
COc1cc(N(C)Cc2cn[nH]c2)c([N+](=O)[O-])cc1OC	1262706040	AHUXJJMMYSWJLI-UHFFFAOYSA-N	292.295	1.972	10	20	CDCD	
C[C@@H](NC(=O)[C@]1(F)CCOC1)c1ccccc1O	1352971811	NJFSWCLBIBPDFR-RNCFNFMXSA-N	253.273	1.698	10	20	CDCD	
O=C(NC[C@H](CC1CC1)C(=O)O)c1cc(O)cs1	1608418861	JFFTVTJEKRDCAC-QMMMGPOBSA-N	269.322	1.684	10	20	CDCD	
NCCCOCCNCc1ccc(Cl)cc1O	1580301097	SJNCWRJVCPALLN-UHFFFAOYSA-N	258.749	1.501	10	20	CDCD	
COCCN(CC(=O)O)Cc1cc(C)cc(OC)c1O	1599234712	MIFULQNULCZLOO-UHFFFAOYSA-N	283.324	1.242	10	20	CDCD	
CCCC[C@H](NCc1ccc(N(C)C)cc1)[C@H](O)C(=O)O	1776772975	CYCANDQDFINRIJ-GJZGRUSLSA-N	294.395	1.847	10	20	CDCD	
CCS(=O)(=O)N[C@H](C)c1cc(OC)ccc1O	151306693	KFUCBNZIPBLFMP-MRVPVSSYSA-N	259.327	1.401	10	20	CDCD	
CCOc1cccc(CN2CCN3C(=O)NC[C@H]3C2)c1O	156066091	QCGNLESAVYTDRH-LBPRGKRZSA-N	291.351	1.000	10	20	CDCD	
COc1cccc(O)c1CN(C)Cc1nncn1C	809777141	FQSPZUZMLKTLJR-UHFFFAOYSA-N	262.313	1.161	10	20	CDCD	
O=S1(=O)CC[C@@H](NCc2ccc3c(c2)CCCO3)C1	921498640	JYRGFXLYFNYYMI-CYBMUJFWSA-N	281.377	1.288	10	20	CDCD	
O=C(NCc1ccccc1O)[C@@H]1CC12CCNCC2	228422900	ZRDSOEQFFPFDDI-LBPRGKRZSA-N	260.337	1.398	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)C(C)(C)S(C)(=O)=O	269141093	KRVFREMLMBIKIN-UHFFFAOYSA-N	285.365	1.174	10	20	CDCD	
CCN(CCS(C)(=O)=O)Cc1cc(OC)ccc1O	180575964	NBVUXCZZGWXQQA-UHFFFAOYSA-N	287.381	1.267	10	20	CDCD	
Cc1cccc(CN(C)[C@@H](C)C[S@](C)=O)c1O	187839669	USEVQYNFGDPVQX-GTNSWQLSSA-N	255.383	1.899	10	20	CDCD	
CNC(=O)CSc1ncc(-c2ccccc2)n1C	7129201	WVSJUXTUHXWLGK-UHFFFAOYSA-N	261.350	1.925	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CCCN2C)c1	104901002	RYONOWQHLZZYIR-MFKMUULPSA-N	278.352	1.672	10	20	CDCD	
COc1cccc(CNC(=O)c2ccncc2)c1O	68488770	CRJJMZSNOHZUSR-UHFFFAOYSA-N	258.277	1.726	10	20	CDCD	
O=C(Nc1nncn1-c1ccccc1)c1cccc(O)c1O	189550378	GVUJMZWLCGTSFX-UHFFFAOYSA-N	296.286	1.931	10	20	CDCD	
O=C(NCc1ccccc1[N+](=O)[O-])c1cccc(O)c1O	186960882	LSEQYBRNQUDGIH-UHFFFAOYSA-N	288.259	1.936	10	20	CDCD	
O=C1CC[C@@H](CNCc2cc(Cl)ccc2O)N1	79927562	PEDGLZFQGXVNDO-JTQLQIEISA-N	254.717	1.414	10	20	CDCD	
CC(C)n1nnnc1SCC(=O)c1ccc(O)c(O)c1	30968628	VZXFFMXFOWALNS-UHFFFAOYSA-N	294.336	1.640	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@H]1CSCN1	37823724	DHZOPZZHGJVQTD-SNVBAGLBSA-N	252.339	1.013	10	20	CDCD	
COc1cccc(CN(C)C(C)(C)C(=O)O)c1O	86762326	LNKURVGCOKUHKP-UHFFFAOYSA-N	253.298	1.696	10	20	CDCD	
O=S1(=O)CCN(Cc2c(O)cccc2Cl)CC1	132278402	NOIQJLYOOIWLOZ-UHFFFAOYSA-N	275.757	1.276	10	20	CDCD	
C[C@H]1OCC[C@@]1(O)CNCc1cccc(Cl)c1O	228094322	CKYGOYUEVKTCQZ-NOZJJQNGSA-N	271.744	1.675	10	20	CDCD	
CCO[C@@H](CCN(C)C)CNC(=O)c1cccc(O)c1O	193131548	OOJYGPSODXMTDA-NSHDSACASA-N	296.367	1.184	10	20	CDCD	
COC(=O)NCc1ccc(N2CCN(C)CC2)cc1	49740666	AFRAJVUELLFNPD-UHFFFAOYSA-N	263.341	1.294	10	20	CDCD	
C[C@H](N)[C@@H](C)C(=O)NCc1ccc(N2CCCC2)cc1	192098318	ZABZMIGZZFWCCD-OLZOCXBDSA-N	275.396	1.886	10	20	CDCD	
C[C@@H]1CCNC(=O)[C@@H]1NCc1ccc2c(c1)CCO2	193696416	ZUIVLWCACXULQK-QMTHXVAHSA-N	260.337	1.236	10	20	CDCD	
Cc1cc(NS(=O)(=O)c2cnn(C)c2)ccc1O	148627561	DEPDBZLVVMYWNV-UHFFFAOYSA-N	267.310	1.235	10	20	CDCD	
C[C@]1(C(N)=O)CCN(Cc2cc(Cl)ccc2O)C1	235742950	KBCZLPMPKXCBGL-ZDUSSCGKSA-N	268.744	1.743	10	20	CDCD	
C[C@H](NC(=O)Cc1ccc(N)cc1)C(=O)OC1CCCC1	237658757	ODSXLSPHSAXMSL-NSHDSACASA-N	290.363	1.802	10	20	CDCD	
CCOc1ccc(O)c(CN(C)CC[C@@H](C)O)c1	93481793	XGLPQJGRKOXJSX-LLVKDONJSA-N	253.342	1.994	10	20	CDCD	
CC[C@@H](C(=O)NCc1ccc(N(C)C)c(F)c1)N(C)C	268740096	PKZPEIKIZOFQHG-ZDUSSCGKSA-N	281.375	1.848	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)C1CCSCC1	272382312	WEEANSZBDLSLBD-UHFFFAOYSA-N	267.350	1.857	10	20	CDCD	
COc1ccc(CNCC2(N3CCOCC3)CC2)cc1C	277430114	CAEHNFKEWGMVBC-UHFFFAOYSA-N	290.407	1.958	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]21	289787489	JWPSIPQDESOTAC-GZBFAFLISA-N	291.347	1.402	10	20	CDCD	
CC[C@@H](NCC[C@H](O)COC)c1ccc(F)cc1O	286342983	YYHGNAPSVHXREM-WCQYABFASA-N	271.332	1.969	10	20	CDCD	
CN1CCCc2cc(CNC(=O)[C@](C)(O)C3CC3)ccc21	286180765	BAVUBOZLPHKSNB-QGZVFWFLSA-N	288.391	1.846	10	20	CDCD	
C[C@H](CCCO)CNCc1cc([N+](=O)[O-])ccc1O	294796900	MLDQBHUNOUDXMQ-SNVBAGLBSA-N	268.313	1.799	10	20	CDCD	
Nc1ccc(CCNC(=O)CC[C@@H]2CCCN2)cc1	294929927	DCLLWWBFLVICQJ-AWEZNQCLSA-N	261.369	1.460	10	20	CDCD	
COc1cccc(CNC(=O)CSC2CC2)c1O	294747761	AFVMBCXOMMZEQO-UHFFFAOYSA-N	267.350	1.913	10	20	CDCD	
COC[C@H](C)[C@@H](C)C(=O)NCc1ccc(OC)cc1O	812561427	NJFZSPIGLYMRGQ-WDEREUQCSA-N	281.352	1.936	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2cnc[nH]2)c1	728979490	WNFONZQQLDZSTE-MRVPVSSYSA-N	261.281	1.615	10	20	CDCD	
COCCOCCC(=O)N[C@H](C)c1cc(OC)ccc1O	728983366	YQXXAKKJVJOAPL-LLVKDONJSA-N	297.351	1.631	10	20	CDCD	
O=C(NCc1ccccc1O)c1cc(-n2cccn2)ccn1	736671237	CSYZTDPSYVIGLV-UHFFFAOYSA-N	294.314	1.903	10	20	CDCD	
CC(=O)c1cc(F)cc(CN[C@]2(C(=O)O)CCOC2)c1O	833400389	FSONEXMVOPQEDK-CQSZACIVSA-N	297.282	1.067	10	20	CDCD	
CC[C@H](C)C(=O)NC[C@H](N)c1ccc(N(C)C)cc1	832293634	ZKHFWJKIDFPFBB-FZMZJTMJSA-N	263.385	1.915	10	20	CDCD	
CC[C@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)[C@H](C)O	838030453	ZVAKXBIEISDBHT-GWCFXTLKSA-N	297.374	1.850	10	20	CDCD	
COc1ccc(O)c(CNC(=O)COC2(C)CCC2)c1	746239307	FCBZCTHZVPSUAX-UHFFFAOYSA-N	279.336	1.976	10	20	CDCD	
CN(C)[C@@H]1CCC[C@H]1NC(=O)/C=C/c1ccc(O)c(O)c1	832495877	ITBCLFAORLIPMU-SKFMMRCFSA-N	290.363	1.710	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCNC	841936140	KMYYGSLYELZDRB-UHFFFAOYSA-N	278.400	1.504	10	20	CDCD	
NC1(CNCc2ccc(N3CCOCC3)cc2)CCCC1	849349789	JCQIDSZQGVYGIR-UHFFFAOYSA-N	289.423	1.884	10	20	CDCD	
CN1C(=O)C2(CCCC2)N[C@@H]1c1cc(F)ccc1O	742438758	DWSBDYYUBTYBDT-LBPRGKRZSA-N	264.300	1.904	10	20	CDCD	
COC(=O)[C@H]1CN(C)CCN(Cc2cc(F)ccc2O)C1	840956637	BEIBSTJTUKTORK-LBPRGKRZSA-N	296.342	1.068	10	20	CDCD	
COCCOCCN(C)c1ccc(OCC(=O)O)cc1	846280508	ZLGCGNHRRIHJOZ-UHFFFAOYSA-N	283.324	1.249	10	20	CDCD	
C[C@@H]1[C@H](CO)CCCN1C(=O)/C=C\c1ccc(O)c(O)c1	840557731	GSFAWWMCTOWRKN-QGSKFPASSA-N	291.347	1.730	10	20	CDCD	
Nc1ccc(CCNC(=O)N[C@H](CO)CC2CCC2)cc1	841955710	KZCAYOOHMZVRBF-HNNXBMFYSA-N	291.395	1.662	10	20	CDCD	
C[C@@H](NC(=O)N[C@H]1COC[C@@H]1C)c1ccccc1O	926031878	MOFNRYLBOUSJQF-UMNHJUIQSA-N	264.325	1.787	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1cn(C2CC2)nn1	858199272	HIHXFRBKZAYUTN-UHFFFAOYSA-N	299.378	1.951	10	20	CDCD	
C[C@H](N[C@@H]1C=C[C@H](CO)C1)c1cc([N+](=O)[O-])ccc1O	756660185	KQTAQDKXYGUXHQ-GARJFASQSA-N	278.308	1.888	10	20	CDCD	
C[C@H](NCc1ncn(C)n1)c1cc(F)cc(F)c1O	756779805	MIDISVMWRCDCIC-ZETCQYMHSA-N	268.267	1.650	10	20	CDCD	
C[C@@H](CCO)NCc1ccc(N2CCC(O)CC2)cc1	850568405	WZFHZSJOANIOMW-ZDUSSCGKSA-N	278.396	1.508	10	20	CDCD	
C[C@@H](NC(=O)NC[C@H]1COCO1)c1ccccc1O	923839315	OQRQXRJSKUMTHJ-ZJUUUORDSA-N	266.297	1.125	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2nc[nH]n2)c1	761967262	JWUYGBUTOFHRPI-SSDOTTSWSA-N	262.269	1.010	10	20	CDCD	
CN(CCOCCN)Cc1cccc(Cl)c1O	863651919	PEHWWVRPPZCEGB-UHFFFAOYSA-N	258.749	1.453	10	20	CDCD	
CC[C@@H](N[C@@H]1COC[C@@H]1O)c1ccc(N(C)C)cc1	866418858	WEYFTFIWBFTENH-KFWWJZLASA-N	264.369	1.553	10	20	CDCD	
Cc1noc(CCC(=O)NCc2ccc(O)c(O)c2)n1	768917282	HQWPWJZVXRAXJZ-UHFFFAOYSA-N	277.280	1.038	10	20	CDCD	
Cc1ccc(CN2CCN3C(=O)CC[C@@H]3C2)c(O)c1	876654925	UJUDKLCMGLTDQR-CYBMUJFWSA-N	260.337	1.507	10	20	CDCD	
COC(=O)Cn1cc(CN[C@H](C)c2ccccc2O)nn1	877755773	MESPJCBMEUVWQK-SNVBAGLBSA-N	290.323	1.008	10	20	CDCD	
COc1cccc(CN[C@@H](C)c2noc(C)n2)c1O	1117646279	XEGPHACYONJAKF-QMMMGPOBSA-N	263.297	1.943	10	20	CDCD	
CCN(C[C@@H]1CN(C)C(=O)O1)c1ccc(OC)c(OC)c1	1117706748	NOURCRZDQGTUBE-LBPRGKRZSA-N	294.351	1.981	10	20	CDCD	
C[C@H](NC(=O)N(C)C[C@@H](C)O)c1ccc(N(C)C)cc1	776250567	VUIRJDWYJISJRY-NEPJUHHUSA-N	279.384	1.836	10	20	CDCD	
COCCN(C)C(=N)NCc1ccc(N(C)C)c(F)c1	871603742	FYWACOWENMHPQZ-UHFFFAOYSA-N	282.363	1.494	10	20	CDCD	
CN(CCNC(=O)Cc1ccc(N)cc1)CC(F)F	877117987	HTZUNEJOYYGSHF-UHFFFAOYSA-N	271.311	1.124	10	20	CDCD	
C[C@H](NCCS(=O)(=O)N(C)C)c1c(O)cccc1F	886612255	HDTDCXNTKBPTSY-VIFPVBQESA-N	290.360	1.073	10	20	CDCD	
O=C(NCc1ccccc1O)C(=O)Nc1ccc(F)cn1	773148938	JBABSOHBFALUEG-UHFFFAOYSA-N	289.266	1.181	10	20	CDCD	
C[C@H](NC(=O)c1ccnn1C)c1ccc(N(C)C)cc1	773009122	PDXUZHHTFKCJDI-NSHDSACASA-N	272.352	1.977	10	20	CDCD	
CCN(C)c1ccc(CN(CCOC)CC(=O)OC)cc1	773757334	PAGCSAZYLOMQSG-UHFFFAOYSA-N	294.395	1.764	10	20	CDCD	
Cc1nnc(CNC(=O)c2ccc(C)c(O)c2O)o1	780894027	ISQIPMLPSIQLMB-UHFFFAOYSA-N	263.253	1.028	10	20	CDCD	
CCOc1ccc(CN2CCCNC(=O)[C@H]2CC)c(O)c1	898540804	BDQVNXORHCYJAL-CQSZACIVSA-N	292.379	1.891	10	20	CDCD	
CCCNC(=O)CCNCc1ccc(OC)c(OC)c1O	892655396	VYLGPMZLAJIDSL-UHFFFAOYSA-N	296.367	1.415	10	20	CDCD	
C[C@H]1COCC[C@@H]1CNCc1cc2c(cc1O)OCO2	796498619	XWIVZEYYGGCKNL-WDEREUQCSA-N	279.336	1.883	10	20	CDCD	
Nc1ccc(CN2CCC3(CC2)CNC(=O)C3)cc1	1345160790	YZJOSXKXULZFCT-UHFFFAOYSA-N	259.353	1.371	10	20	CDCD	
O=C(O)CN1CCC(NCc2cccc(F)c2O)CC1	1329776295	XOBKZXURHFZTPV-UHFFFAOYSA-N	282.315	1.170	10	20	CDCD	
CCN(C)C(=O)[C@H](C)N[C@H](C)c1cc(OC)ccc1O	188501348	UDTAXLMLRLNFGU-MNOVXSKESA-N	280.368	1.918	10	20	CDCD	
C[S@](=O)CCCNCc1cc(F)cc(F)c1O	708494777	OZUHQGWZLSKOFY-KRWDZBQOSA-N	263.309	1.529	10	20	CDCD	
Nc1ccc(CNC(=O)NOC[C@@H]2CCOC2)cc1	1338597051	TXDVTZACKNBMOO-LLVKDONJSA-N	265.313	1.036	10	20	CDCD	
CCN(C)C(=O)[C@@H](C)N[C@H](C)c1cc(C(=O)O)ccc1O	1605406476	ZMTUJYQKAOYMQU-NXEZZACHSA-N	294.351	1.608	10	20	CDCD	
O=C(O)C1=CC[C@H](NCc2cc(F)c(F)cc2O)C1	1601741578	XBZSEKYGDHEQNB-VIFPVBQESA-N	269.247	1.933	10	20	CDCD	
COCC[C@@H](N)C(=O)NCc1cc(Cl)ccc1O	1573974404	GJLUETSMVLYQBC-SNVBAGLBSA-N	272.732	1.026	10	20	CDCD	
C[C@@H](N[C@H]1C=CCC1)c1cccc(-c2nn[nH]n2)c1O	1589952017	MYMNYXYZPVEEHV-ZJUUUORDSA-N	271.324	1.942	10	20	CDCD	
COc1ccc(CN[C@H](C(=O)O)C(C)(C)C)c(O)c1OC	1599571570	GLLLUTNXVGZMEM-CYBMUJFWSA-N	297.351	1.998	10	20	CDCD	
Nc1ccc(CC(=O)N2CCC[C@@H](n3cncn3)C2)cc1	156381013	FBRJAFIOKHFPEV-CQSZACIVSA-N	285.351	1.267	10	20	CDCD	
Nc1ccc(NC(=O)NCCO[C@H]2CCOC2)cc1	926142710	LMQLSHSLUSOAJV-LBPRGKRZSA-N	265.313	1.196	10	20	CDCD	
CNCCCC(=O)N(C)Cc1ccc(N(C)C)cc1	37801173	XEKRRSWDXRMKPX-UHFFFAOYSA-N	263.385	1.711	10	20	CDCD	
COC(=O)c1ccc(CNCc2ccccc2O)[nH]1	167060792	NFKHYVVMAJXTAG-UHFFFAOYSA-N	260.293	1.797	10	20	CDCD	
CCOc1cccc(CN[C@@H]2CS(=O)(=O)C[C@@H]2C)c1O	288696825	YGNQCEBILGYREG-CMPLNLGQSA-N	299.392	1.314	10	20	CDCD	
CCOc1cccc(CN2CCN[C@@H](C)[C@@H]2C)c1O	379444581	VVMCGSFGAZULPT-RYUDHWBXSA-N	264.369	1.973	10	20	CDCD	
COc1cccc(CN[C@@H](CO)CC(F)(F)F)c1O	717766231	BNMMMWAABLMDIS-SECBINFHSA-N	279.258	1.804	10	20	CDCD	
CC(C)CCS(=O)(=O)NCCc1ccc(N)cc1	111657193	NHYMWTBQLYRLGO-UHFFFAOYSA-N	270.398	1.777	10	20	CDCD	
CCc1nnsc1C(=O)NCc1cccc(OC)c1O	68489205	PWGTZLNUJQNZFS-UHFFFAOYSA-N	293.348	1.745	10	20	CDCD	
CN(C)c1ccc(CNS(=O)(=O)C[C@H]2CCOC2)cc1	171670705	PPZMALXJLAEPJS-ZDUSSCGKSA-N	298.408	1.209	10	20	CDCD	
O=C(O)C[C@H]1COCCN1Cc1c(O)cccc1Cl	128841966	DYMJCVMGHWWDBF-VIFPVBQESA-N	285.727	1.721	10	20	CDCD	
COCCC1(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)CC1	186406777	IJKXFYRSIAVHEM-LLVKDONJSA-N	293.363	1.962	10	20	CDCD	
CCN(C)S(=O)(=O)NCc1ccc(N(C)C)cc1	72676750	FKOMVTMIBBHASJ-UHFFFAOYSA-N	271.386	1.039	10	20	CDCD	
COCCC(C)(C)C(=O)NCCc1ccc(O)c(O)c1	183973076	UPICRWUYOIKIHN-UHFFFAOYSA-N	281.352	1.819	10	20	CDCD	
CON(C)C(=O)NCc1ccc(N(C)C)c(F)c1	192374889	AOSMCXTWKQCORP-UHFFFAOYSA-N	255.293	1.595	10	20	CDCD	
CC(=O)CCC(=O)N1CCOc2cc(N(C)C)ccc21	192941579	ZGDSPHRLZZXUJC-UHFFFAOYSA-N	276.336	1.847	10	20	CDCD	
CCN(CC)S(=O)(=O)Nc1ccc(O)c(C)c1	148621531	KVKRGPSPYMMXKZ-UHFFFAOYSA-N	258.343	1.699	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)Nc1cnns1	192332936	JRLGCHIYYFCZOD-UHFFFAOYSA-N	280.309	1.314	10	20	CDCD	
COc1cccc(CNC(=O)c2c[nH]nc2C2CC2)c1O	190723928	ITKPHSPVWVDSGQ-UHFFFAOYSA-N	287.319	1.931	10	20	CDCD	
C[C@H](CN1CCCC1=O)N[C@@H]1CCc2cccc(O)c21	296189302	YKZMHUYHMBHEFV-DGCLKSJQSA-N	274.364	1.980	10	20	CDCD	
Cc1cc(C)c([C@@H](C)NC[C@@H]2COCCN2)c(O)c1	530227344	SJNCFQKQEUBDPI-CHWSQXEVSA-N	264.369	1.648	10	20	CDCD	
Oc1c(F)cccc1CN[C@H]1C[C@H]2CC[C@H]1NC2	530245937	IDGMAZYHJFCSCP-WQAKAFBOSA-N	250.317	1.761	10	20	CDCD	
C[C@H](O)C[C@@H](C)CNC(=O)c1c(F)ccc(O)c1O	276612216	PPXWELIITDLLAY-SFYZADRCSA-N	271.288	1.374	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H]2CC(=O)N(C(C)C)C2)c(O)c1O	272869595	WBJUTWCQHCLKDO-SNVBAGLBSA-N	292.335	1.145	10	20	CDCD	
CN(C)c1ccc(CN[C@@]2(CCO)CCOC2)cc1F	278518614	RJUAZKUGSMAIPR-HNNXBMFYSA-N	282.359	1.523	10	20	CDCD	
CCN1CCN(c2cc(OC)c(OC)cc2[N+](=O)[O-])CC1	271035964	LWTZBIMPOAZNMV-UHFFFAOYSA-N	295.339	1.754	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CC(=O)NCC2(C)C)c1O	282400913	BWRJEGCXBXAIFV-UHFFFAOYSA-N	294.326	1.444	10	20	CDCD	
CC[C@@H](N[C@H]1CC(=O)N(C)C1)c1ccc(C)cc1O	280302041	ZYHBAZSQXBRYFN-WCQYABFASA-N	262.353	1.972	10	20	CDCD	
O=C(NCc1ccccc1O)[C@@H]1C[C@H]1C1CCNCC1	377785869	XUCFVXJWQTZYES-UONOGXRCSA-N	274.364	1.644	10	20	CDCD	
CC[C@@H](NC[C@@H]1CN(C)CCN1C)c1ccc(F)cc1O	285520331	BDGVFUCQIPMWQC-UKRRQHHQSA-N	295.402	1.818	10	20	CDCD	
CN(C)c1ccc(Cn2cnnc2[S@@](C)=O)cc1	292655557	MXADKINTVAAVQS-GOSISDBHSA-N	264.354	1.130	10	20	CDCD	
CC[C@H]1NCC[C@H]1C(=O)NCCc1ccc(N)cc1	295322675	ZDELAMZRMYKOQI-ZIAGYGMSSA-N	261.369	1.316	10	20	CDCD	
CS[C@@H]1CCN(C(=O)c2c(F)ccc(O)c2O)C1	295573999	PKFXSSZVYMCVAV-SSDOTTSWSA-N	271.313	1.814	10	20	CDCD	
Cc1ccc(C(=O)N2CCOCC(F)(F)C2)c(O)c1O	292124998	LCAXUBOAPXBWLJ-UHFFFAOYSA-N	287.262	1.514	10	20	CDCD	
CCN(CC(=O)N1CCNC1=O)c1ccc(OC)cc1	299341809	FDQYSPWOFUCIKL-UHFFFAOYSA-N	277.324	1.073	10	20	CDCD	
CCOc1cc(C(=O)NCCc2ccc(O)c(O)c2)on1	295279175	ISVMJULFOZSHTO-UHFFFAOYSA-N	292.291	1.457	10	20	CDCD	
C[C@H](Cc1cnccn1)NC[C@H](N)c1ccc(N(C)C)cc1	817940014	DUUHLBDKADPAPU-DYVFJYSZSA-N	299.422	1.763	10	20	CDCD	
Cn1nc(C(=O)NCCCSc2nccs2)cc1O	827474495	AKNNDETZEAWNBA-UHFFFAOYSA-N	298.393	1.494	10	20	CDCD	
O=C(NCc1c(O)ccc2c1CCCC2)[C@@]1(F)CCNC1	830597410	HKPZLLKZFKUQST-MRXNPFEDSA-N	292.354	1.589	10	20	CDCD	
O=C(Nc1ccnc2ccnn12)c1cc(O)cs1	735332134	VXDAWNSULABZOC-UHFFFAOYSA-N	260.278	1.749	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@H]2CCCC(=O)N2C)c1	913000784	VKZDRCALKMYTMR-GFCCVEGCSA-N	276.336	1.328	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1CCCO[C@H](CN)C1	841100967	QFTGGCQXJNFPJX-MRXNPFEDSA-N	277.412	1.611	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)NC[C@H](N)C1CC1	841828591	WHRVPVCFCWUPEF-HNNXBMFYSA-N	290.411	1.598	10	20	CDCD	
CCc1cccc(CNCc2nnc3n2CCC3)c1O	848892836	IHMOLPMKWHQUKB-UHFFFAOYSA-N	272.352	1.782	10	20	CDCD	
OC[C@@H](CCF)NCc1cc(Br)ccc1O	846096326	GKFMJKKQIBUARA-SNVBAGLBSA-N	292.148	1.965	10	20	CDCD	
COc1cc(O)c(CN2CC[C@@H](C)[C@H](CN)C2)cc1OC	841100854	MCUUIYIJNRTHFD-DGCLKSJQSA-N	294.395	1.826	10	20	CDCD	
CCN(CCNC(=O)C(=O)Nc1ccc(N)cc1)C(C)C	841041486	CNHDOZAIYJHKOP-UHFFFAOYSA-N	292.383	1.054	10	20	CDCD	
C[C@H](N[C@H]1CCc2c(nnn2C)C1)c1ccc(F)cc1O	848564197	JGMYUOXRQRPGTF-ONGXEEELSA-N	290.342	1.868	10	20	CDCD	
NC(=O)c1cccc(NC(=O)NCc2ccccc2O)c1	748442891	LSCNUGNWVSOFAH-UHFFFAOYSA-N	285.303	1.813	10	20	CDCD	
CCC1CCN(S(=O)(=O)NCc2ccccc2O)CC1	849378566	YFHJPAHFWZPPHI-UHFFFAOYSA-N	298.408	1.849	10	20	CDCD	
CCCN(CCC)C(=O)COC(=O)c1cccc(O)c1O	758560510	LVAWMNBCQPGFLS-UHFFFAOYSA-N	295.335	1.903	10	20	CDCD	
CCOc1ccc(O)c(CN(C)[C@H]2CCC(=O)N(C)C2)c1	862428141	LQIUCTJIIYDBQB-ZDUSSCGKSA-N	292.379	1.844	10	20	CDCD	
CN(C)CCOc1ccc(N(C)Cc2ccn(C)n2)cc1	761221053	APDUWRHGSBHWDM-UHFFFAOYSA-N	288.395	1.997	10	20	CDCD	
CN(Cc1cc2c(cc1O)OC[C@H]2O)CC(F)F	768450430	JLVLEFSRDZYJBU-SNVBAGLBSA-N	259.252	1.515	10	20	CDCD	
C[C@@H](NC[C@H](O)Cn1cccn1)c1ccccc1O	879649260	OOJDXXJOFOUOCT-NEPJUHHUSA-N	261.325	1.300	10	20	CDCD	
Cc1ccc(O)c(CN2CCC3(CCNC3=O)CC2)c1	877783400	RNOUQXRRSAWNNM-UHFFFAOYSA-N	274.364	1.803	10	20	CDCD	
C[C@H]1CCN[C@@H](C(=O)N[C@H](C)c2ccccc2O)C1	877255865	JBTJXIMWSUZDSS-DMDPSCGWSA-N	262.353	1.958	10	20	CDCD	
COc1ccc(O)c([C@@H](C)N[C@H]2CCCNC(=O)C2)c1	877533349	NABVLIPZESCOIR-MNOVXSKESA-N	278.352	1.720	10	20	CDCD	
COC[C@H](C)OC[C@H](O)CN[C@H](C)c1ccccc1O	879649530	VOWBOJSYVOWSCJ-YNEHKIRRSA-N	283.368	1.455	10	20	CDCD	
COCCOC1CN(Cc2cccc(Cl)c2O)C1	779432261	QIHYXKBROPATKC-UHFFFAOYSA-N	271.744	1.893	10	20	CDCD	
C[C@@H](NCCN1CCNC1=O)c1cc(Cl)ccc1O	886745523	ZORDZAAUEOFULJ-SECBINFHSA-N	283.759	1.721	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN(C)CCCCCO)c1O	789763440	JVCMPXBPHDLKJH-UHFFFAOYSA-N	298.339	1.903	10	20	CDCD	
COc1ccc(CN[C@@H]2COC[C@@H]2C)c(O)c1OC	896733151	NQDHMSUACGKVEQ-GXSJLCMTSA-N	267.325	1.534	10	20	CDCD	
C[C@H](O)[C@H]1CCN(Cc2cc(F)cc(F)c2O)C1	894430452	FYUIBKLRNKWICK-IUCAKERBSA-N	257.280	1.873	10	20	CDCD	
CC[C@@H](NC(=O)c1c(F)ccc(O)c1O)[C@H]1CCCO1	790075779	NTYGYLFYBRHJQG-MWLCHTKSSA-N	283.299	1.924	10	20	CDCD	
COC[C@H](NCc1ccc2c(c1)CCCO2)C(=O)O	1333893093	OEWFYDARUKJRLR-LBPRGKRZSA-N	265.309	1.201	10	20	CDCD	
CCOc1cccc(CN[C@H](C)c2ncnn2C)c1O	276749423	STGLKFFLEVNGGP-SNVBAGLBSA-N	276.340	1.770	10	20	CDCD	
NC(=O)C1(NCc2cccc(Br)c2O)CC1	191485180	DVOMEMWNEUDRBY-UHFFFAOYSA-N	285.141	1.262	10	20	CDCD	
Nc1ccc(CNC(=O)[C@@H]2CCc3cncn3C2)cc1	1263304162	UJLKPQZKVIXSOB-GFCCVEGCSA-N	270.336	1.344	10	20	CDCD	
CCC(=O)C1(C(=O)NCc2cccc(O)c2O)CC1	1347542749	QTLPROQRGNELIN-UHFFFAOYSA-N	263.293	1.473	10	20	CDCD	
CN[C@H](C)CCNCc1ccc(N2CCOCC2)cc1	1261370492	LEKUBDKJCFQLMV-CQSZACIVSA-N	277.412	1.611	10	20	CDCD	
Cc1cc(O)c(CN2C[C@H](O)C[C@@H](C(=O)O)C2)cc1Cl	1607698746	FFNAHQQYLQFSDG-GHMZBOCLSA-N	299.754	1.621	10	20	CDCD	
Oc1ccccc1CNc1ncccc1-c1nn[nH]n1	1607111975	QUPRKSXECHAFBJ-UHFFFAOYSA-N	268.280	1.579	10	20	CDCD	
CN1CCC(N(C)C(=O)Cc2ccc(N)cc2)CC1	22168297	ILRWEMZLMRPVQT-UHFFFAOYSA-N	261.369	1.364	10	20	CDCD	
CC1(C)[C@@H](NC(=O)c2cccc(O)c2O)[C@@H]2CCCN[C@H]21	1576384289	PQCDXZGRZDPKSR-HONMWMINSA-N	290.363	1.604	10	20	CDCD	
CO[C@@H]1CCOC[C@H]1N[C@@H](C)c1cc(C(=O)O)ccc1O	1599322065	FLKCHXRQCDJJPQ-MRCXROJRSA-N	295.335	1.545	10	20	CDCD	
O=C(CCCNCc1ccc2c(c1)CCO2)NC1CC1	108097346	CZNVHDBKNSZEDI-UHFFFAOYSA-N	274.364	1.770	10	20	CDCD	
C[C@@](CCF)(NC(=O)Cc1ccc(N)cc1)C(=O)O	1592497969	KKCJLLVSXADNTL-ZDUSSCGKSA-N	268.288	1.130	10	20	CDCD	
CCc1cccc(CNCCOCC(=O)O)c1O	1593642156	HEAACYDQXPZJIM-UHFFFAOYSA-N	253.298	1.145	10	20	CDCD	
CCOc1cccc(CN[C@@H](CCO)COC)c1O	219141197	SVRMBDTVJPKDFW-LBPRGKRZSA-N	269.341	1.278	10	20	CDCD	
CN(C)c1ccc(CNCC(F)(F)CC(=O)O)cc1	1777040275	PICRRIDEWWIIIZ-UHFFFAOYSA-N	272.295	1.952	10	20	CDCD	
CCC[C@H](NCc1ccc(N2CC[C@H](O)C2)cc1)C(=O)O	1776760168	NCMLLXZEZBNVHH-GJZGRUSLSA-N	292.379	1.601	10	20	CDCD	
CCOCCOCCNC(=O)Nc1ccc(N)cc1	926145225	VVYWJCUEQDNBGL-UHFFFAOYSA-N	267.329	1.443	10	20	CDCD	
C[C@H](NC[C@@H]1CCCNC1=O)c1ccc(N(C)C)cc1	838935107	AMSNMPZFOZCWRK-JSGCOSHPSA-N	275.396	1.929	10	20	CDCD	
CS[C@@H](CO)[C@@H](C)NC(=O)Nc1ccc(N)cc1	841299686	HWOJWYLUROHMFR-KCJUWKMLSA-N	269.370	1.503	10	20	CDCD	
C[C@@H](O)C[C@H]1CCCN1C(=O)c1cccc(O)c1O	126643728	LIXMVTLWSSZPFX-NXEZZACHSA-N	265.309	1.473	10	20	CDCD	
CCc1cccc(CNC[C@]2(O)CCO[C@@H]2C)c1O	691439545	ZHVPDSLWVAPNLX-IAQYHMDHSA-N	265.353	1.584	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2ccc(C=O)[nH]2)cc1	175097951	KYPUCWDQZCXMDJ-UHFFFAOYSA-N	271.320	1.823	10	20	CDCD	
Cc1nc(CC(=O)NCCc2ccc(O)c(O)c2)cs1	120429368	GBZBALJKDNIIAK-UHFFFAOYSA-N	292.360	1.764	10	20	CDCD	
Cc1ccc(C(=O)N[C@H](CCO)C(C)(C)C)c(O)c1O	182981456	HMQDBJLSRPTJJL-LLVKDONJSA-N	281.352	1.933	10	20	CDCD	
COc1ccc(N(C)CC(=O)N2CCNC2=O)cc1Cl	121855572	MAERLPRJDCETCW-UHFFFAOYSA-N	297.742	1.337	10	20	CDCD	
COc1cccc(CNC(=O)c2cnc(C)nc2C)c1O	180735648	CRBOQHHMPJBTAN-UHFFFAOYSA-N	287.319	1.738	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1cnns1	48708638	JOIJCBFSAMUFSX-UHFFFAOYSA-N	276.365	1.876	10	20	CDCD	
C[C@H](CS(C)(=O)=O)NCc1c(O)cccc1Cl	83552733	YVWWAUABLPBKCO-MRVPVSSYSA-N	277.773	1.568	10	20	CDCD	
C[C@@H]1CCNC(=O)[C@H]1NCc1cccc(Cl)c1O	195008065	KZXROHMHBBWUGF-KCJUWKMLSA-N	268.744	1.660	10	20	CDCD	
C[C@@H]1CCN(Cc2ccccc2O)CCS1(=O)=O	192050391	BDNUFHCUOHNMAU-LLVKDONJSA-N	269.366	1.401	10	20	CDCD	
COc1ccc(N2CCN(C(=O)C3CC3)CC2)c(OC)c1	243404527	MOZAGBUFGXDFIJ-UHFFFAOYSA-N	290.363	1.762	10	20	CDCD	
CO[C@@H](C)CCNC(=O)NCc1ccc(N(C)C)cc1	263817915	PEFMQQBJBAVXNN-LBPRGKRZSA-N	279.384	1.977	10	20	CDCD	
CCOc1cccc(CN2CCOC[C@@H]2C(=O)OC)c1O	271206483	WHRPNVWFVRBCGO-GFCCVEGCSA-N	295.335	1.165	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H](CCO)C(C)C)c1O	278497164	MTQGJRQLRUTQGV-NSHDSACASA-N	298.339	1.806	10	20	CDCD	
CC(C)[C@@H](C(=O)N[C@H](C)Cc1ccc(O)c(O)c1)N(C)C	274962684	UGOBLHYRKMKWMA-ABAIWWIYSA-N	294.395	1.731	10	20	CDCD	
COC[C@@H](NCc1cccc(C)c1O)[C@H]1CCCO1	279386540	JVKSHXKHLAFBAH-ZIAGYGMSSA-N	265.353	1.984	10	20	CDCD	
CCOc1ccc(O)c(CN[C@@H](C)C(=O)N2CCCC2)c1	281500547	WSDCSAZBZXSTMJ-LBPRGKRZSA-N	292.379	1.891	10	20	CDCD	
O=C1CN(Cc2ccccc2O)CN1CCC(F)(F)F	294910273	DXVODQRGIJRXJQ-UHFFFAOYSA-N	288.269	1.946	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccnc(O)c1	808094457	PSDHZZXPEMXIMF-UHFFFAOYSA-N	293.319	1.909	10	20	CDCD	
CCOC(=O)/C(=C\c1cn(C)cn1)c1nccn1C	800794174	XUHKQUABABHKIJ-XFFZJAGNSA-N	260.297	1.257	10	20	CDCD	
Cc1nnc([C@@H](C)NC(=O)c2c(F)ccc(O)c2O)s1	295025117	UZMZKNQWEVTLJF-RXMQYKEDSA-N	297.311	1.888	10	20	CDCD	
COc1ccc2c(c1)CCCN2CCN1CCNC1=O	808709819	ZRIKINWSTCVPIC-UHFFFAOYSA-N	275.352	1.473	10	20	CDCD	
CC(=O)C(=O)CSc1ncnc2sccc12	808013070	MVDOOUSZEPQXJF-UHFFFAOYSA-N	252.320	1.942	10	20	CDCD	
CCOC1CN(Cc2ccc([N+](=O)[O-])c(OC)c2O)C1	297489689	TXJBEALPOGTAHU-UHFFFAOYSA-N	282.296	1.530	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)NC[C@H]1CCCN1C	299251200	OVDPHIOBBHHSFJ-CYBMUJFWSA-N	277.368	1.628	10	20	CDCD	
CNC(=S)NC[C@@H]1CCN(c2ccc(OC)cc2)C1	819020020	GFIAWLQXAFZRAU-NSHDSACASA-N	279.409	1.615	10	20	CDCD	
CO[C@@H]1CCC[C@H](C(=O)NCc2ccc(O)c(O)c2)C1	815836333	ZIOWBTACILEAAK-NWDGAFQWSA-N	279.336	1.919	10	20	CDCD	
CSC[C@@H](C)N1C(=O)CN(Cc2ccccc2O)C1=O	819169134	XDQIJESCEVMMDA-SNVBAGLBSA-N	294.376	1.908	10	20	CDCD	
CN1CCN(c2ccc(CNc3ncn(C)n3)cc2)CC1	814255297	GPRGILZBBPHHJR-UHFFFAOYSA-N	286.383	1.179	10	20	CDCD	
C[C@@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccccc1O	827952609	YMJZOQGHVUDGEQ-SZEHBUNVSA-N	250.254	1.235	10	20	CDCD	
CN(C)C1(C(=O)NCCCSc2nccs2)CC1	827474625	HBJXUJKSUAEUOD-UHFFFAOYSA-N	285.438	1.836	10	20	CDCD	
O=C(NC1CCC(CO)CC1)c1c(F)ccc(O)c1O	828152908	AOQMDSYDPHRYTP-UHFFFAOYSA-N	283.299	1.518	10	20	CDCD	
CN(CC(=O)NCCCSc1nccs1)C(=O)O	737395072	QRPQKOOBEQEZOA-UHFFFAOYSA-N	289.382	1.351	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@@H]2C[C@H]3CC[C@H]2O3)c1	734016745	CILGFRCWJHUXMP-YRGRVCCFSA-N	277.320	1.585	10	20	CDCD	
COC(=O)CSCCC(=O)NCc1ccc(O)cc1O	910954202	JSEPYLSZKBOWHR-UHFFFAOYSA-N	299.348	1.010	10	20	CDCD	
Cc1nnc(NC(=O)NCCc2ccc(N)cc2)s1	841013044	OLTYVUHNIMJTBV-UHFFFAOYSA-N	277.353	1.793	10	20	CDCD	
CCN(CC)c1ccc(CN2CC(S(C)(=O)=O)C2)cc1	841887421	NXBVMSBYVGDZNE-UHFFFAOYSA-N	296.436	1.762	10	20	CDCD	
CCNCCNC(=O)NCc1c(O)ccc2c1CCCC2	841934842	MBWFVQPGYYNGNH-UHFFFAOYSA-N	291.395	1.680	10	20	CDCD	
COCCN(C)CCNCc1ccc(N(C)C)cc1C	840933054	LOCHFBIXBKOGLG-UHFFFAOYSA-N	279.428	1.729	10	20	CDCD	
O=C(OCC1CCOCC1)c1cccc(O)c1O	758563568	XCYKBBPZBTXOQO-UHFFFAOYSA-N	252.266	1.681	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC[C@@H]2CCC(=O)O2)c1	851900338	SIKPWLDRIYKKER-KOLCDFICSA-N	265.309	1.757	10	20	CDCD	
CN(CC1=CCCOC1)C(=O)c1cc(O)cs1	855740600	DJBKFEISLFKSKD-UHFFFAOYSA-N	253.323	1.872	10	20	CDCD	
COc1cc(C)cc(CN(C)C[C@H]2COCCO2)c1O	853560878	ZIKDWGYFIJPAJS-ZDUSSCGKSA-N	281.352	1.556	10	20	CDCD	
Cn1cc(/C=C\C(=O)N2CCOc3ccc(F)cc32)cn1	755643734	QBHDCFYAVHABRI-DJWKRKHSSA-N	287.294	1.998	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H](C)N(C)C	935945108	KWSOOBGHMWWBPN-SNVBAGLBSA-N	271.357	1.444	10	20	CDCD	
O=C(NCc1ccccc1O)c1ncn(-c2ccccc2)n1	768367448	RDWWRXULPNPIHG-UHFFFAOYSA-N	294.314	1.903	10	20	CDCD	
O=C(NCc1ccccc1O)N[C@H]1CCc2n[nH]cc2C1	765846234	WLHCQJJRQKRFHG-LBPRGKRZSA-N	286.335	1.472	10	20	CDCD	
Cc1ccnc2nc(C(=O)NCc3ccccc3O)nn12	769366176	UUMVTHVYWQYZFW-UHFFFAOYSA-N	283.291	1.068	10	20	CDCD	
CCO[C@@H](C(=O)NCc1cc(OC)ccc1O)C1CC1	860240939	FMBUAOQJJRDFKP-CQSZACIVSA-N	279.336	1.832	10	20	CDCD	
COC[C@H]1NC(=O)N([C@@H](C)c2ccc(N(C)C)cc2)C1=O	761579481	MNZMAPKZKNXJFQ-GXFFZTMASA-N	291.351	1.380	10	20	CDCD	
C[C@@H]1CO[C@H](CO)CN1Cc1ccc(N2CCCC2)cc1	1116449999	WGQCFBMCFIWWSK-PBHICJAKSA-N	290.407	1.868	10	20	CDCD	
COc1cccc(CN2CCCC[C@H]2CNC(C)=O)c1O	877675487	RISPDXWYSWEKCW-AWEZNQCLSA-N	292.379	1.891	10	20	CDCD	
Cc1cccc(O)c1CNCC1([S@](C)=O)CC1	877499035	KWKZWEGWTGGHAX-KRWDZBQOSA-N	253.367	1.701	10	20	CDCD	
Cc1ccc(CN2CCC(CS(C)(=O)=O)CC2)c(O)c1	877545680	LIVOIKHKRJJOJB-UHFFFAOYSA-N	297.420	1.957	10	20	CDCD	
C[C@H](NCc1cn(C)nn1)c1c(O)cccc1F	886588709	XTAWJZBPTZLNFS-QMMMGPOBSA-N	250.277	1.511	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)N1CCCC1	780607851	IJZCGHCJVJMFCE-SNVBAGLBSA-N	264.325	1.834	10	20	CDCD	
O=C(NCc1ccncc1)c1c(F)ccc(O)c1O	789939729	QNEMIRZGIHDHKD-UHFFFAOYSA-N	262.240	1.562	10	20	CDCD	
CCNC(=O)CC(=O)N(C)Cc1ccc(N(C)C)cc1	780858536	KYCABIDJHNUOIW-UHFFFAOYSA-N	277.368	1.237	10	20	CDCD	
CCc1cc(C(=O)NCc2ccc(OC)cc2O)no1	897630275	YNIGYLCWAIHKLG-UHFFFAOYSA-N	276.292	1.881	10	20	CDCD	
COCCC1(NC(=O)c2cccc(O)c2O)CCC1	794163807	LEQRJILXJOIFHZ-UHFFFAOYSA-N	265.309	1.787	10	20	CDCD	
COc1ccc(CNC(=O)[C@@H]2CCO[C@@H](C)C2)c(O)c1	794379084	YPKSHQAWGUZTSU-WDEREUQCSA-N	279.336	1.832	10	20	CDCD	
COc1ccc(O)c(CNC(=O)CCc2cnccn2)c1	793690908	YFXHHGFIBXRUDW-UHFFFAOYSA-N	287.319	1.440	10	20	CDCD	
COc1ccc(O)c(CNC(=O)Cc2ncccc2F)c1	792238333	PZFRTLJBOZJUEF-UHFFFAOYSA-N	290.294	1.794	10	20	CDCD	
COCCOCCCNCc1cccc(OC)c1O	20192080	QCHODFAHVBAMIQ-UHFFFAOYSA-N	269.341	1.544	10	20	CDCD	
C[C@H](NCCCNC1CC1)c1cc(C(=O)O)ccc1O	1609779955	PWDUUSTUWMNUAL-JTQLQIEISA-N	278.352	1.883	10	20	CDCD	
Cc1cc(O)c(CN2CCCNC[C@H]2C(=O)O)cc1C	1600286076	JVNDUYKFNJIAJX-ZDUSSCGKSA-N	278.352	1.258	10	20	CDCD	
COc1cccc(CNCc2cc(C(=O)O)n(C)c2)c1O	1607322690	BVTXEEWDOXFMAE-UHFFFAOYSA-N	290.319	1.727	10	20	CDCD	
CCN1CC[C@@H]1CN[C@@H](C)c1cc(C(=O)O)ccc1O	1596415344	JPEPBQQFYVEHGQ-CMPLNLGQSA-N	278.352	1.835	10	20	CDCD	
CN(Cc1cnc(C(=O)O)cn1)c1ccc2c(c1)OCO2	1777079157	WORZENFARXIWIT-UHFFFAOYSA-N	287.275	1.540	10	20	CDCD	
COc1cccc(CN2CCC[C@@H](CO)C2)c1O	154585780	YCHDTGFHNOVNNA-LLVKDONJSA-N	251.326	1.605	10	20	CDCD	
CN(C)c1ccc(CNC[C@H](O)Cn2cccn2)cc1	818942351	ZQKYSXKULVSEDS-HNNXBMFYSA-N	274.368	1.100	10	20	CDCD	
CC(C)OC(=O)CN1CCOc2cc(N(C)C)ccc21	1116465129	CXPQYEXCHWYTTP-UHFFFAOYSA-N	278.352	1.903	10	20	CDCD	
NC(=O)CN(Cc1cc(F)ccc1O)C1CCCC1	226562197	BZDYPHYYZAKWRC-UHFFFAOYSA-N	266.316	1.761	10	20	CDCD	
C[C@H](NCCS(=O)(=O)N(C)C)c1cc(F)ccc1O	230991668	FZVWDYQIIABODD-VIFPVBQESA-N	290.360	1.073	10	20	CDCD	
O=C(NCCOCC(F)(F)F)c1cccc(O)c1O	126421929	WKCBRXLDUCCWSL-UHFFFAOYSA-N	279.214	1.407	10	20	CDCD	
Nc1ccc(Cc2nc([C@@H]3CCS(=O)(=O)C3)no2)cc1	149786840	JYWDXIOQXKMRIC-SNVBAGLBSA-N	293.348	1.145	10	20	CDCD	
Nc1ccc(Cc2nc([C@H]3CCS(=O)(=O)C3)no2)cc1	149787041	JYWDXIOQXKMRIC-JTQLQIEISA-N	293.348	1.145	10	20	CDCD	
C[C@@H](NCc1ccc(N2CCOCC2)cc1)C(=O)O	49355105	HIHAOPHMFQYQAA-LLVKDONJSA-N	264.325	1.086	10	20	CDCD	
CN1CCC(CCNC(=O)c2cccc(O)c2O)CC1	187573518	GCTLWQOUVVCIKR-UHFFFAOYSA-N	278.352	1.560	10	20	CDCD	
COc1ccc(O)c(CN[C@H](CO)CC(F)F)c1	717769591	UKSCOEGWEKWNLF-VIFPVBQESA-N	261.268	1.507	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC[C@H]2CNC(=O)C2)c1	398335616	KITJNPDOUJVTHR-ZJUUUORDSA-N	264.325	1.188	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1cn(C)cn1	178985053	CXQFEGDQPROFHX-UHFFFAOYSA-N	286.335	1.525	10	20	CDCD	
CC(C)C(=O)NCCN(C)Cc1ccccc1O	179587752	IQUGMEBIMKWVMB-UHFFFAOYSA-N	250.342	1.596	10	20	CDCD	
CC1(C)COCCN1C(=O)c1cccc(O)c1O	126285043	MUJABJNVVVKFJI-UHFFFAOYSA-N	251.282	1.349	10	20	CDCD	
C[C@@H](O)C[C@@H](C)CNC(=O)/C=C/c1ccc(O)c(O)c1	180804078	VEUUHUILBFUFPW-JYBZGJHDSA-N	279.336	1.634	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CC2OCCCO2)cc1F	187983860	WFWCJFQWXITNCQ-UHFFFAOYSA-N	296.342	1.661	10	20	CDCD	
COc1cccc(CNC[C@H]2CC[C@H](O)C2)c1O	188803107	KBZISXDMIGMWOM-JQWIXIFHSA-N	251.326	1.651	10	20	CDCD	
COc1ccc(O)c(CNC(=O)NCCOC(C)C)c1	186212047	IQZFOFIOZIDBAU-UHFFFAOYSA-N	282.340	1.625	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)c1ccn(CC(F)F)n1	194368302	KZYCYJOHIRSKOF-UHFFFAOYSA-N	297.261	1.489	10	20	CDCD	
CCOc1ccc(O)c(CN(CCO)CCOC)c1	93006133	RXVUHWKDYZTOGX-UHFFFAOYSA-N	269.341	1.232	10	20	CDCD	
CC[C@@H](C)[C@H](N)C(=O)NCc1ccc(N(C)C)c(F)c1	236946190	FGPGNGLXUGDNDR-YGRLFVJLSA-N	281.375	1.881	10	20	CDCD	
Cc1ccc(C(=O)N2CCOC[C@@H]2C[C@@H](C)O)c(O)c1O	274411870	MKZYUYJUYKBZBE-MNOVXSKESA-N	295.335	1.018	10	20	CDCD	
COC[C@H](O)CN[C@H](C)c1cc2c(cc1O)CCCC2	273366865	BRVJGBOZMIMSSV-BXUZGUMPSA-N	279.380	1.929	10	20	CDCD	
COc1cccc(CN2CCO[C@@]3(CCO[C@H]3C)C2)c1O	279665123	MLENHROYFCDVBM-LRDDRELGSA-N	293.363	1.781	10	20	CDCD	
COCC1(O)CCN(Cc2cc(C)c(C)cc2O)CC1	270314634	ZYALHNVBLMEDFD-UHFFFAOYSA-N	279.380	1.982	10	20	CDCD	
CC[C@@H](NCc1cc([N+](=O)[O-])ccc1O)C(C)(C)O	293028130	PMIVQSJBBFKLBX-GFCCVEGCSA-N	268.313	1.940	10	20	CDCD	
O=C1NC(=S)S/C1=C/c1ccc(C(=O)O)[nH]1	381513943	RXCINEDFEFIFJZ-ZZXKWVIFSA-N	254.292	1.202	10	20	CDCD	
COC(=O)[C@@H]1C[C@@H](O)CN1Cc1ccc(N(C)C)c(C)c1	292958112	CLEBYDKBQIHSJW-HIFRSBDPSA-N	292.379	1.169	10	20	CDCD	
OC[C@@]1([C@H](NCc2ccccc2O)C2CC2)CCCO1	816667105	CMRSCMJDLWFJIT-HZPDHXFCSA-N	277.364	1.802	10	20	CDCD	
C[C@H](NCC1(N)CCC1)c1cc([N+](=O)[O-])ccc1O	817964651	HDARHYOMCNUXMS-VIFPVBQESA-N	265.313	1.832	10	20	CDCD	
COC[C@@H](C)[C@@H](C)C(=O)NCc1ccc(O)c(O)c1	813491431	XMUVMMCAYVKKPC-NXEZZACHSA-N	267.325	1.633	10	20	CDCD	
CN(C)c1ccc(CNC(=O)/C=C\[C@@H]2CCOC2)cc1	822227151	XIKDOZCEKBFPCE-BMWLXYDHSA-N	274.364	1.962	10	20	CDCD	
C[C@@H](CC(=O)O)C(=O)N(C)Cc1ccc(N(C)C)cc1	827241263	UFXZGHAMMFKEKX-NSHDSACASA-N	278.352	1.822	10	20	CDCD	
C[C@H](NC(=O)CN1CCOC1=O)c1ccc(N(C)C)cc1	822083233	UOXVCSIXNARFKQ-NSHDSACASA-N	291.351	1.382	10	20	CDCD	
CC(C)CN1CCN(C(=O)c2cc(O)cs2)CC1	732257011	BBALZUYEMCEBEE-UHFFFAOYSA-N	268.382	1.868	10	20	CDCD	
Cc1nccnc1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	831924075	CGDAKXQGUXSNQJ-SECBINFHSA-N	287.319	1.557	10	20	CDCD	
Cc1ccc(C(=O)N[C@H]2CCCC23OCCO3)c(O)c1O	912633644	XMEPOUPWFRPPJG-NSHDSACASA-N	293.319	1.432	10	20	CDCD	
C[C@@](O)(CNC(=O)Cc1ccc(N)cc1)c1ccsc1	846689882	YNXXGQRPRQYELU-OAHLLOKOSA-N	290.388	1.897	10	20	CDCD	
CN(C)c1ccc([C@@H](N)CNCC[C@H]2CCOC2)cc1	841042097	KFCPNVIJBLEJAT-BBRMVZONSA-N	277.412	1.769	10	20	CDCD	
CC(C)[C@H](N)CNC(=O)NCc1ccc(N(C)C)cc1	841654575	NELGQSIUJLUPCZ-CQSZACIVSA-N	278.400	1.535	10	20	CDCD	
Cn1cc(/C=C/C(=O)N2CCSc3ncccc32)cn1	741958058	YJOSKOWFXOMVDS-SNAWJCMRSA-N	286.360	1.967	10	20	CDCD	
CC(=O)N(C)CCc1noc(Cc2ccc(N)cc2)n1	843192075	WJBWKPOYKVYRET-UHFFFAOYSA-N	274.324	1.263	10	20	CDCD	
COc1cccc([C@@H](C)N[C@H]2CCCCNC2=O)c1O	846139532	UVMMOBUQUBIDNN-PWSUYJOCSA-N	278.352	1.720	10	20	CDCD	
COc1cc(O)c(CN2CCC[C@H]3CNC[C@H]32)cc1OC	841027304	NPPVMQIZLAGZQR-WCQYABFASA-N	292.379	1.593	10	20	CDCD	
CN(C)c1ccc([C@H](N)CNC(=O)[C@@H](N)C(C)(C)C)cc1	841845623	BBLFAXRIRAQYKK-ZIAGYGMSSA-N	292.427	1.242	10	20	CDCD	
CC[C@@H](NCCN1CC[C@H](O)C1)c1ccc(C)cc1O	858601631	HOZNUQBHTBQOQK-DZGCQCFKSA-N	278.396	1.808	10	20	CDCD	
CNC[C@H](C)NC(=O)NCc1ccc(N2CCCC2)cc1	851655060	OBLZDRHKJVTKOV-ZDUSSCGKSA-N	290.411	1.694	10	20	CDCD	
COCCOCCNCc1cc(F)c(N(C)C)cc1F	858108984	KOUFOTUQBDEWTJ-UHFFFAOYSA-N	288.338	1.783	10	20	CDCD	
C[C@H]1CC(F)(F)CCN1C(=O)C(=O)Nc1ccc(N)cc1	861520779	KGFIQLASCVKBFY-VIFPVBQESA-N	297.305	1.854	10	20	CDCD	
CCN(C)c1ccc([C@H](C)NC[C@@H]2COCCN2)cc1	863544688	BITUBBKOHHIHMU-DZGCQCFKSA-N	277.412	1.782	10	20	CDCD	
CCOc1ccc(O)c(CN(CC)CC(=O)N(C)C)c1	768309132	ZFNBXRHYRYPMSR-UHFFFAOYSA-N	280.368	1.701	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1csc(O)n1	935948501	NMLWGCLRNUGCBO-UHFFFAOYSA-N	299.348	1.970	10	20	CDCD	
CCS(=O)(=O)N1CCN(Cc2c(C)cccc2O)CC1	876565559	YLWGRWUCBAYLCB-UHFFFAOYSA-N	298.408	1.168	10	20	CDCD	
Cc1ccc(CN[C@@H](CO)[C@@H]2CCCOC2)c(O)c1	877590001	VOTVSQJREAWZMG-KGLIPLIRSA-N	265.353	1.578	10	20	CDCD	
O=C1NN(c2ccccc2)C(=O)/C1=C\c1cncs1	767728896	LDEFYFSCEXZTRS-WDZFZDKYSA-N	271.301	1.605	10	20	CDCD	
Cc1cccc(O)c1CNC[C@@H]1CC[C@H](C(=O)N(C)C)O1	877130241	KNVXBABUQDYTKV-SWLSCSKDSA-N	292.379	1.426	10	20	CDCD	
C[C@@H](NC(=S)NCCN(C)C)c1ccc(N(C)C)cc1	774252910	XPJGUGQARBNDNT-GFCCVEGCSA-N	294.468	1.839	10	20	CDCD	
Cc1nn(C)c(C)c1OCC(=O)N(C)c1ccc(N)cc1	877077273	BFSAIXIORQEHCI-UHFFFAOYSA-N	288.351	1.661	10	20	CDCD	
CN(CC(C)(C)O)C(=O)/C=C/c1ccc(O)c(O)c1	779529606	FLAPGGUHECXBKB-FNORWQNLSA-N	265.309	1.340	10	20	CDCD	
COc1cc(O)c(CNCCC[S@@](C)=O)cc1OC	776208835	LTLXXZUMLFMUKW-LJQANCHMSA-N	287.381	1.268	10	20	CDCD	
C[C@H](NC(=O)NC[C@H](O)C1CC1)c1ccc(N(C)C)cc1	776238030	HNWTUCGQECTQNM-NHYWBVRUSA-N	291.395	1.884	10	20	CDCD	
COc1cc(O)c(CNC[C@@]2(C)CCOC2)cc1OC	776174536	DXTXTPCXCBGAHF-OAHLLOKOSA-N	281.352	1.926	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H]1CCc2c[nH]nc2C1	779529280	SVQNKOQDUBSBLU-DBGMKRSLSA-N	299.330	1.508	10	20	CDCD	
C[C@H](NC(=O)NCC1(CO)CC1)c1ccc(N(C)C)cc1	776249336	MYRKFOJUVUKHJG-LBPRGKRZSA-N	291.395	1.885	10	20	CDCD	
COC1(CC(=O)NCc2cccc(O)c2O)CCC1	1123887852	DDLWNQSCSRAGPH-UHFFFAOYSA-N	265.309	1.673	10	20	CDCD	
CN[C@@H](CC(C)C)C(=O)NCc1ccccc1O	884309418	UYYAJKKPZJSDAU-LBPRGKRZSA-N	250.342	1.643	10	20	CDCD	
CCCN1CC(=O)N[C@H]1c1ccc(OC)c(OC)c1O	899378497	QKQZBWNUVFBWPZ-CQSZACIVSA-N	280.324	1.250	10	20	CDCD	
CCOC(=O)CN(CC)Cc1ccc(OC)c(OC)c1O	891782606	VYKFOZXUCDVWJP-UHFFFAOYSA-N	297.351	1.794	10	20	CDCD	
COc1ccc(CN2CCSC[C@@H]2CO)c(O)c1OC	895923119	ISQMUZSEHLAPLK-NSHDSACASA-N	299.392	1.319	10	20	CDCD	
CC[C@H](N)CNC(=O)N[C@H](C)c1ccccc1O	892143890	GZQPGOIXDBRJFW-ZJUUUORDSA-N	251.330	1.490	10	20	CDCD	
C[C@@H](NS(=O)(=O)N1CCCC1)c1ccccc1O	867833898	GQCDECJDRRZXKG-SNVBAGLBSA-N	270.354	1.383	10	20	CDCD	
COc1ccc(CN2CC(C(C)(C)O)C2)c(O)c1OC	894830236	HQZIIRXTUUAUOZ-UHFFFAOYSA-N	281.352	1.612	10	20	CDCD	
C[C@@H](NCC(=O)NCC1CC1)c1cc(F)ccc1O	186505733	JWBRNJFWQUBKHG-SECBINFHSA-N	266.316	1.708	10	20	CDCD	
CC(=O)N[C@@H](CC(C)C)C(=O)NCc1ccc(N)cc1	704362539	GVBDCQMQFFDZRP-AWEZNQCLSA-N	277.368	1.436	10	20	CDCD	
CCc1cccc(CN(CC)CCS(C)(=O)=O)c1O	688580089	LGIVYSWKEWPAHR-UHFFFAOYSA-N	285.409	1.821	10	20	CDCD	
CN1CCN(c2ccc(CNCCCCO)cc2F)CC1	1321047213	UKVWAJUJMAMHIP-UHFFFAOYSA-N	295.402	1.440	10	20	CDCD	
CC(C)(C)N1CC[C@@H](NC(=O)Cc2ccc(N)cc2)C1	693874923	ARUSGUCSIBCNSM-CQSZACIVSA-N	275.396	1.800	10	20	CDCD	
O=S1(=O)CCC[C@H](NCc2ccc3c(c2)CCO3)C1	69141212	MTYYWPBVLRCXNQ-ZDUSSCGKSA-N	281.377	1.288	10	20	CDCD	
CC(C)(C)[C@H](C(=O)O)C(=O)NCc1c(O)cccc1O	1602852813	QNVPRTFMFOWDRE-NSHDSACASA-N	281.308	1.461	10	20	CDCD	
C[C@@H](NC[C@@](C)(O)C1CC1)c1cc(C(=O)O)ccc1O	1593239265	CYMKYASSZBDGKU-RFAUZJTJSA-N	279.336	1.902	10	20	CDCD	
CCN(CCC(=O)O)C(=O)c1ccc(C)c(O)c1O	1596308809	FQGHKAKXXOPPLT-UHFFFAOYSA-N	267.281	1.343	10	20	CDCD	
CN(C)c1ccc(CN2C[C@H]3OC[C@@H](C(=O)O)[C@H]3C2)cc1	1777039723	ZPYXNVYDBBWMEY-RBSFLKMASA-N	290.363	1.284	10	20	CDCD	
CN(Cc1ccccc1O)[C@@H]1CCN(C2CC2)C1=O	1116346748	ZFOJJDFFWGDAKG-CYBMUJFWSA-N	260.337	1.587	10	20	CDCD	
CCOc1cccc(CNCC[C@@H](O)COC)c1O	153754951	BXHLBQPNJQUSHM-GFCCVEGCSA-N	269.341	1.278	10	20	CDCD	
CN(C)C(C)(C)CNCc1cc2c(cc1O)OCO2	42879438	IKHHAAOTRZLPDH-UHFFFAOYSA-N	266.341	1.551	10	20	CDCD	
CN(C(=O)CS(=O)(=O)C1CCCC1)c1ccc(N)cc1	62829919	DPPQDRFHAURSKC-UHFFFAOYSA-N	296.392	1.589	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@@H]1CCC[C@@H](N)C1	70576703	CVSRTVLGTLYWNJ-DGCLKSJQSA-N	262.353	1.868	10	20	CDCD	
CNC(=O)C[C@@H](C)N[C@@H](C)c1ccc(N(C)C)cc1	323076465	XUJGZYQZDYNCPR-NEPJUHHUSA-N	263.385	1.928	10	20	CDCD	
CCOc1cccc(CN[C@H]2CCCN(C)C2=O)c1O	704378178	WIQWIQWOZGPTME-LBPRGKRZSA-N	278.352	1.501	10	20	CDCD	
C[C@H](NCCCn1cncn1)c1ccc(F)cc1O	381743248	ZUJBMZYHTDXGMB-JTQLQIEISA-N	264.304	1.864	10	20	CDCD	
COc1ccc(O)c(CN[C@@H]2CCNC(=O)CC2)c1	396768547	QZKYSTDXIGVKEI-NSHDSACASA-N	264.325	1.159	10	20	CDCD	
Cc1ccc(C(=O)N2CCO[C@H](C)C2)c(O)c1O	177665586	QVAUXUOWZGTGOW-SECBINFHSA-N	251.282	1.267	10	20	CDCD	
CCCN(CC(=O)N1CCNC1=O)Cc1ccccc1O	69009936	IJOKYJLSPRHODV-UHFFFAOYSA-N	291.351	1.156	10	20	CDCD	
COc1ccc(N2CCC(NC(=O)C(C)(C)O)CC2)cc1	188364642	GQDDWKDYWZIDCM-UHFFFAOYSA-N	292.379	1.551	10	20	CDCD	
COc1cc(Cl)cc(CN2CCN(C)CC2)c1O	184669734	DAOKYMBQURRDSM-UHFFFAOYSA-N	270.760	1.802	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)NCCC(N)=O)cc1	79970547	IRXIBUZIXHZMCC-UHFFFAOYSA-N	292.383	1.207	10	20	CDCD	
COc1ccc(O)c([C@H](C)NCC(=O)NCC2CCC2)c1	182464494	WSNAGWZURJBGBT-NSHDSACASA-N	292.379	1.968	10	20	CDCD	
CCCN(CC(=O)NC)C(=O)/C=C/c1ccc(O)c(O)c1	180689417	GFMZSUSHTZFAJR-FNORWQNLSA-N	292.335	1.096	10	20	CDCD	
C[C@H](O)C(=O)N1CCN(Cc2c(O)cccc2Cl)CC1	131651791	XGMJEDSCVACEDZ-JTQLQIEISA-N	298.770	1.071	10	20	CDCD	
CS(=O)(=O)C[C@H]1CCN(Cc2cc(F)ccc2O)C1	292863972	VPYRBCMWRUICGH-JTQLQIEISA-N	287.356	1.398	10	20	CDCD	
COc1ccc(O)c(CNC[C@H]2CCCS(=O)(=O)C2)c1	290601040	VXEPAHUMUSNUTL-LLVKDONJSA-N	299.392	1.315	10	20	CDCD	
COC[C@@H](NC(=O)c1cccc(O)c1O)c1ccco1	193119273	OLNYJNUAMCPZDB-SNVBAGLBSA-N	277.276	1.808	10	20	CDCD	
COc1cccc(CN2CCOC[C@@]23CCOC3)c1O	195013804	RSQSJXCPVFAFBG-HNNXBMFYSA-N	279.336	1.392	10	20	CDCD	
COc1ccc(O)c(CN[C@@H](C)c2nnnn2C2CC2)c1	191835398	RGOBDPJNSYFGIS-VIFPVBQESA-N	289.339	1.573	10	20	CDCD	
CCN1CCCC[C@H]1CNC(=O)Cc1ccc(N)cc1	236825903	JDOUISNGRJPNMV-HNNXBMFYSA-N	275.396	1.802	10	20	CDCD	
CCc1nn(C)cc1C(=O)NCCc1ccc(O)c(O)c1	92515466	BSVOAAXGVSAKQB-UHFFFAOYSA-N	289.335	1.366	10	20	CDCD	
CCOC(=O)C1(C(=O)NCc2ccc(O)c(O)c2)CC1	269063477	BWGHQAHJBDBQOA-UHFFFAOYSA-N	279.292	1.057	10	20	CDCD	
CN[C@H]1CCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)C1	269106280	BULPXHGWHMVTQE-AWEZNQCLSA-N	298.390	1.923	10	20	CDCD	
Oc1cc2c(cc1CN[C@H]1C[C@H]3CC[C@H]1NC3)OCO2	530245976	IYTKHTOVAXAPAX-JLLWLGSASA-N	276.336	1.351	10	20	CDCD	
COC(=O)CN(Cc1cc2c(cc1O)OCO2)C(C)C	271065460	DQHNSFNLMBEXJC-UHFFFAOYSA-N	281.308	1.504	10	20	CDCD	
CS[C@@H](CO)[C@@H](C)NC(=O)/C=C/c1ccc(O)c(O)c1	272583210	FDAIUZHWVVOHFY-ZLBCOYKOSA-N	297.376	1.340	10	20	CDCD	
COC[C@@H](O)CN[C@@H](C)c1ccc(C)c(C)c1O	273558566	HNCUWXHGSMCPAL-RYUDHWBXSA-N	253.342	1.667	10	20	CDCD	
Cc1ccc(C(=O)NC[C@@H]2CCO[C@H](C)C2)c(O)c1O	272982284	MBZABLULVOOWGP-GHMZBOCLSA-N	279.336	1.951	10	20	CDCD	
CSCCCN(C)C(=O)c1cccc(O)c1O	281839961	YLQBPYOTFQYJAY-UHFFFAOYSA-N	255.339	1.923	10	20	CDCD	
Cc1ccc(C(=O)NC[C@@H](C)c2nncn2C)c(O)c1O	280648317	DEPXEHQYWBRIDZ-SECBINFHSA-N	290.323	1.068	10	20	CDCD	
COC(=O)C[C@H](C)CC(=O)NCCc1ccc(O)c(O)c1	289738601	IHKYTFATQXNNHI-SNVBAGLBSA-N	295.335	1.346	10	20	CDCD	
COC(=O)c1cc(CNCc2ccccc2O)cn1C	809612378	KEAFTRZWUMQDIN-UHFFFAOYSA-N	274.320	1.807	10	20	CDCD	
NCCC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	294910558	CDINAHCDAZHCDZ-ZDUSSCGKSA-N	278.352	1.249	10	20	CDCD	
CCOC(=O)C(CC)(CC)NC(=O)c1cccc(O)c1O	817082602	ULSYYAJUOGEKJL-UHFFFAOYSA-N	295.335	1.950	10	20	CDCD	
CC(=O)c1cc(F)cc(CN[C@]2(C)CCOC2=O)c1O	810093749	NHSXFTGYQWDUQX-CQSZACIVSA-N	281.283	1.529	10	20	CDCD	
Cc1ncsc1/C=C\C(=O)N(C)c1ccn(C)n1	492684921	WBIXKBBSWIIJMS-PLNGDYQASA-N	262.338	1.861	10	20	CDCD	
COc1cccc(CNC[C@H]2CCOC[C@@H]2OC)c1O	824707938	BSVDOEPSPAEGPS-RISCZKNCSA-N	281.352	1.542	10	20	CDCD	
C[C@H]1COC[C@H]1NC(=O)NCc1ccc(N(C)C)cc1	902962528	GFAIEFQZTCRVNS-SMDDNHRTSA-N	277.368	1.587	10	20	CDCD	
CN(C)c1ccc(CN2CC[C@@H](C(=O)O)C2)cc1F	820548082	WLIFQZZLDFQYND-LLVKDONJSA-N	266.316	1.798	10	20	CDCD	
COc1ccc(N(C)CCN2CCOCC2)cc1OC	732197811	AISVHWXPZMZVSR-UHFFFAOYSA-N	280.368	1.472	10	20	CDCD	
O=C(NCc1nnc2n1CCCCC2)c1cc(O)cs1	731865933	BMEVNPQLOSHPCN-UHFFFAOYSA-N	292.364	1.702	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2cn3ccccc3n2)c1	734014951	NZPDLPAOXQXZMY-UHFFFAOYSA-N	297.314	1.979	10	20	CDCD	
C[C@@H](OC(=O)c1cccc(O)c1O)C(=O)C1CCOCC1	837647805	KIQUXFHKFQYISA-SECBINFHSA-N	294.303	1.639	10	20	CDCD	
CC(C)(O)C1CN(Cc2ccc(N3CCOCC3)cc2)C1	839139718	KFQUTQPVLVEHFY-UHFFFAOYSA-N	290.407	1.726	10	20	CDCD	
CCOC(=O)[C@@H](C)[C@H](C)NC(=O)c1cc(O)cs1	832119500	HBWMRMQAWHEJDW-YUMQZZPRSA-N	271.338	1.771	10	20	CDCD	
COC[C@H]1CN(C(=O)Cc2ccc(N)cc2)C[C@H](C)O1	832002120	BOUSWSOLKLYSSE-SMDDNHRTSA-N	278.352	1.074	10	20	CDCD	
Cn1nc2c(c1NC(=O)c1cc(O)cs1)CCC2	732275964	LMWYDZXXZDREOL-UHFFFAOYSA-N	263.322	1.928	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1C[C@@H](O)C1	838477821	HPDCPVFFLCGVQX-XBXGTLAGSA-N	277.368	1.384	10	20	CDCD	
CCCN1CC(=O)N[C@H]1c1cc(C(=O)OC)ccc1O	840825532	WOVWWHNRUFTTOQ-CYBMUJFWSA-N	278.308	1.019	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@H](C)CCN)c1	841968089	TWGWOCFIOXDXRR-ZJUUUORDSA-N	281.356	1.498	10	20	CDCD	
CNC(=O)NC(=O)CSc1ncc(Cl)s1	849998294	MHFYMTFJOGQIAW-UHFFFAOYSA-N	265.747	1.344	10	20	CDCD	
CN1CCN=C1NCc1ccc(N2CCOCC2)c(F)c1	848993625	VTGKYEZZSPXVCK-UHFFFAOYSA-N	292.358	1.053	10	20	CDCD	
NC[C@@H]1CCC[C@@H]1NCc1ccc(N2CCOCC2)cc1	841031633	UMWCAXCSYMKJTN-RDJZCZTQSA-N	289.423	1.740	10	20	CDCD	
CC[C@H]1CN(C)CCN1C(=O)NCCc1ccc(N)cc1	841955638	ITVQOSVHDLJPJC-HNNXBMFYSA-N	290.411	1.547	10	20	CDCD	
Cn1nnc2c1CC[C@H](NCc1cccc(Cl)c1O)C2	848926724	XFKLBUHUNVIOPZ-JTQLQIEISA-N	292.770	1.821	10	20	CDCD	
C[C@@H](CC(N)=O)N[C@@H](C)c1ccc(Cl)cc1O	841760207	SADFJVXQYNVACJ-YUMQZZPRSA-N	256.733	1.960	10	20	CDCD	
C[C@@H]1COC[C@@H]1NC(=O)NCc1cc(Cl)ccc1O	926021692	BCHBIHUDQJZJDK-KCJUWKMLSA-N	284.743	1.880	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)NCC2(O)CCC2)c1	756561288	AFFJCWGHCMIYQM-JTQLQIEISA-N	279.336	1.744	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H]2CCN(CC3CC3)C2)c(O)c1O	751537840	JTRXBZJFQMYESR-GFCCVEGCSA-N	290.363	1.620	10	20	CDCD	
Cc1ccc(C(=O)NC2([C@H](C)O)CC2)c(O)c1O	856129257	SKJKCQKSXNVTGL-QMMMGPOBSA-N	251.282	1.049	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)Cc2[nH]cnc2C)c1	862755477	HZGSGJFAIAKDPP-UHFFFAOYSA-N	259.309	1.591	10	20	CDCD	
CC(=O)NC[C@@H]1CN(Cc2c(C)cccc2O)CCO1	876742697	RFJQUWGZUSUOHQ-CYBMUJFWSA-N	278.352	1.038	10	20	CDCD	
O=C1CC[C@H]2CN(Cc3cc(Cl)cc(F)c3O)CCN12	775667536	KMZDUYRSKQVKNT-NSHDSACASA-N	298.745	1.991	10	20	CDCD	
C[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1cnn(C)c1	779483750	FZPSAWSDOQXVIW-OAQKJQOQSA-N	287.319	1.722	10	20	CDCD	
C[C@@H](NCCNC(=O)C1CC1)c1c(O)cccc1F	886489982	WTELERYUEMREQJ-SECBINFHSA-N	266.316	1.708	10	20	CDCD	
COCC[C@H](N)C(=O)NCc1ccc(N(C)C)cc1C	884222829	BNLGNUCANMPYCF-AWEZNQCLSA-N	279.384	1.041	10	20	CDCD	
Cc1ccc(/C=C/C(=O)N2CCCc3c(O)ncnc32)cn1	893206325	AMSAFRQXGZQKTA-VOTSOKGWSA-N	296.330	1.878	10	20	CDCD	
Cn1nc(CNC(=O)c2cccc(O)c2O)c2ccccc21	790933008	NNIARIOXSGMKEE-UHFFFAOYSA-N	297.314	1.915	10	20	CDCD	
O=C1Cc2cc(OC(=O)c3cccc(O)c3O)ccc2N1	797767041	ONUQNZOLSQPIKH-UHFFFAOYSA-N	285.255	1.812	10	20	CDCD	
Cc1nc([C@@H](C)NC(=O)/C=C\c2ccc(O)c(O)c2)no1	1320757259	VVHOGKHZCQZRKA-RZAAKKIOSA-N	289.291	1.680	10	20	CDCD	
C[C@@H]1OCCN(C(=O)c2cccc(O)c2O)[C@@H]1C	193137457	VCYNZSBBIIDNFI-BDAKNGLRSA-N	251.282	1.347	10	20	CDCD	
CCc1cccc(CNCC(=O)N(C)OC)c1O	691484167	TWVUBWYXLJEYBI-UHFFFAOYSA-N	252.314	1.064	10	20	CDCD	
Cc1ncc2n1C[C@H](C(=O)N(C)c1ccc(N)cc1)CC2	1354435179	BZFKUCYJCTZSFD-GFCCVEGCSA-N	284.363	1.999	10	20	CDCD	
CN(CCn1cccn1)C(=O)NCc1ccc(N)cc1	1353539592	NMNGHHLOMAWBLG-UHFFFAOYSA-N	273.340	1.307	10	20	CDCD	
O=C(O)[C@@H](C(=O)N1Cc2cccc(O)c2C1)C1CC1	1605893543	ZLGQEBZKGWOEAK-GFCCVEGCSA-N	261.277	1.345	10	20	CDCD	
COc1ccc(O)c(CN[C@@H](C[C@@H]2CCCO2)C(=O)O)c1	1607277803	VOPGTPKIYKGKNX-STQMWFEESA-N	295.335	1.513	10	20	CDCD	
Nc1ccc(NC(=O)N[C@H]2CC=C(C(=O)O)C2)cc1	1601216678	MEKYXOWUOPRLFE-NSHDSACASA-N	261.281	1.564	10	20	CDCD	
C[C@@H](CC(C)(C)O)NC(=O)Nc1ccc(N)cc1	841300665	YZWNDJWONRZYFX-VIFPVBQESA-N	251.330	1.940	10	20	CDCD	
COc1ccc(O)c(CN(C)[C@@H](C)C[S@@](C)=O)c1	130956980	PIBQNJTWKWXFQG-YPMLDQLKSA-N	271.382	1.600	10	20	CDCD	
O=C1CCCN1CCNCc1cccc(Cl)c1O	405304715	WEDFBCGDVIMZEX-UHFFFAOYSA-N	268.744	1.758	10	20	CDCD	
O=C(NCCOC1CCC1)c1cccc(O)c1O	691216687	IOIWABSSCUKUQA-UHFFFAOYSA-N	251.282	1.397	10	20	CDCD	
Cc1cccc(CNC(C)(C)CS(C)(=O)=O)c1O	391472077	TWTQJZXRQFVKPA-UHFFFAOYSA-N	271.382	1.613	10	20	CDCD	
COC(=O)[C@@]1(C)CCN(Cc2cc(F)ccc2O)C1	180229689	QNLRJNMZPVQJSP-AWEZNQCLSA-N	267.300	1.916	10	20	CDCD	
CC(C)(C)CS(=O)(=O)NCc1ccccc1O	228425562	AFHHZZMQUKFKNH-UHFFFAOYSA-N	257.355	1.858	10	20	CDCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)C1CC1	47293590	ZYEDGCJVUDYIQD-UHFFFAOYSA-N	292.354	1.813	10	20	CDCD	
CCN(CCNC(=O)Cc1ccc(N)cc1)C(C)C	236860118	PIRJKYJVOPHQIY-UHFFFAOYSA-N	263.385	1.658	10	20	CDCD	
Cc1cc(O)c(CNCC2(N3CCOCC3)CC2)cc1C	277500246	PBJDLXYEPQWKIW-UHFFFAOYSA-N	290.407	1.963	10	20	CDCD	
COC[C@@H]1CCN(C(=O)c2ccc(C)c(O)c2O)C1	272546871	AFNQIEOQQNYSIH-SNVBAGLBSA-N	265.309	1.515	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@@H](C)C(=O)N(C)C)c1	276914209	PPMFJIXLSAHBNB-UWVGGRQHSA-N	294.351	1.306	10	20	CDCD	
C[C@H]1CN(C[C@@H](C)O)CCN1Cc1ccccc1O	284332130	KUHHIEJUGIUWPL-QWHCGFSZSA-N	264.369	1.279	10	20	CDCD	
CC(=O)C(=O)CSc1nnnn1-c1ccc(C)cc1C	288943426	RQYRXIRDIXTTPC-UHFFFAOYSA-N	290.348	1.529	10	20	CDCD	
Cc1ccc(O)c(CNCCCc2cnn(C)n2)c1	292908919	HEJNQFIYTZUSHV-UHFFFAOYSA-N	260.341	1.552	10	20	CDCD	
CCn1nncc1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	293526913	QWBIHVNCUPTHHQ-SECBINFHSA-N	290.323	1.070	10	20	CDCD	
C[C@H](N[C@@H]1CCc2cccc(O)c21)C(=O)NCCF	296246966	BAPSIAWLFKZQKX-GXSJLCMTSA-N	266.316	1.443	10	20	CDCD	
O=C(NCc1ccc(N2CCOCC2)cc1)c1cn[nH]c1	299078385	DSYZXINXNVKMCE-UHFFFAOYSA-N	286.335	1.176	10	20	CDCD	
OC/C=C/CNCc1cc(Br)ccc1O	717524345	CNTQQNLJMVRPDO-OWOJBTEDSA-N	272.142	1.793	10	20	CDCD	
C[C@H](NC(=O)c1cccc(O)c1O)[C@H](O)c1ccccc1	811541332	YLDSLMCSOXOZRW-HZMBPMFUSA-N	287.315	1.950	10	20	CDCD	
CCNC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1	818049148	VVUWDGDWOXALSI-GFCCVEGCSA-N	277.368	1.841	10	20	CDCD	
Cn1cnc(/C=C\C(=O)N2C[C@H](CO)c3ccccc32)c1	820527864	XXZLFLRNDKGJGM-ZHRWSRJISA-N	283.331	1.556	10	20	CDCD	
Cn1ccsc1=NC(=O)c1cccc(O)c1O	588514120	QKKAPMSYJLRFHF-UHFFFAOYSA-N	250.279	1.239	10	20	CDCD	
COc1cccc(O)c1CN(C)Cc1noc(C)n1	827891257	FMNCTDWDSPONSY-UHFFFAOYSA-N	263.297	1.724	10	20	CDCD	
CN1CCCC[C@@H](C(=O)NCc2ccccc2O)C1=O	821054647	AOSUVGAZUSDHPZ-LBPRGKRZSA-N	276.336	1.267	10	20	CDCD	
CC(=O)N1CCCN(C(=O)c2cc(O)cs2)CC1	732258706	GJAWCHROZSVQQC-UHFFFAOYSA-N	268.338	1.148	10	20	CDCD	
O=C(O)[C@@H]1CCCN(Cc2cc3c(cc2O)OCO3)C1	739583570	UVABOJXNHIJFRV-SECBINFHSA-N	279.292	1.418	10	20	CDCD	
C[C@H]1CN(C)CC[C@H]1N(C)C(=O)c1cc(O)cs1	748322740	UHLYWQUPTKYMJU-GXSJLCMTSA-N	268.382	1.866	10	20	CDCD	
N[C@@H]1CCC[C@@H]2CN(Cc3cc4c(cc3O)OCO4)C[C@@H]21	843059902	UGDAGKSQQOVDGJ-KGYLQXTDSA-N	290.363	1.680	10	20	CDCD	
CO[C@@H](CNC(=O)c1cccc(O)c1O)CC(C)C	841444040	BOIXAISGFIHJQU-SNVBAGLBSA-N	267.325	1.889	10	20	CDCD	
COc1cccc([C@@H](C)NCCNC(=O)C(C)C)c1O	846136486	IWDCEHXIZDQYMT-LLVKDONJSA-N	280.368	1.824	10	20	CDCD	
C[C@H]1CN=C(NCc2ccc(N3CCSCC3)cc2)N1	848993546	IOLLJXKHOZKQBF-LBPRGKRZSA-N	290.436	1.677	10	20	CDCD	
CCOc1ccc(CN2C[C@H](C)NC[C@@H]2C)c(O)c1	843119940	PIWLZBFBCCSSBN-RYUDHWBXSA-N	264.369	1.973	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@@H](CN)C1	841829320	ZYLFJOFFBINMMR-ZDUSSCGKSA-N	290.411	1.551	10	20	CDCD	
Oc1c(Br)cccc1CNC1CCNCC1	841027202	ZQEVLIDGYNQPHF-UHFFFAOYSA-N	285.185	1.996	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CCN[C@H](C)[C@@H]2C)c1O	843378045	YGVLLOKNUTYAEP-ZJUUUORDSA-N	280.343	1.916	10	20	CDCD	
Cc1noc(C)c1N(C)C(=O)/C=C\c1cnn(C)c1	747877174	QCCFQWFAPWQFJC-WAYWQWQTSA-N	260.297	1.701	10	20	CDCD	
CO[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccc(N)cc1	846324304	UCRVQGCXWKAJSF-CHWSQXEVSA-N	291.351	1.281	10	20	CDCD	
O=C(C[C@@H]1CCC(=O)N1)NCc1cc(Cl)ccc1O	855022785	JCZCZBZQPKDXSV-JTQLQIEISA-N	282.727	1.331	10	20	CDCD	
CC(=O)N1CC[C@@H](N[C@@H](C)c2ccc(F)cc2O)C1	857084457	QLNKFPOKJKHOAQ-JOYOIKCWSA-N	266.316	1.803	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)N[C@@H]1COC(=O)C1	923741649	YFAUXWSXDRYHSD-LBPRGKRZSA-N	292.335	1.629	10	20	CDCD	
O=Cc1ccccc1S(=O)(=O)NCc1ccccc1O	751148998	HKUFOTDSISQFKM-UHFFFAOYSA-N	291.328	1.683	10	20	CDCD	
CN(C)c1cc(F)c(CNCCN2CC[C@H](O)C2)cc1F	858340974	UITFFCVTWBMJAM-LBPRGKRZSA-N	299.365	1.187	10	20	CDCD	
COC[C@@H](C)N[C@H](C)c1cc(C(=O)OC)ccc1O	756340094	HXMPZZGZFVKHNI-NXEZZACHSA-N	267.325	1.864	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc[n+]([O-])c1	753640914	UKGPYLDBSUIOAQ-SNVBAGLBSA-N	288.303	1.092	10	20	CDCD	
COCc1noc([C@@H](C)OC(=O)c2cccc(O)c2O)n1	758581895	PGTIPDLVJFXCRY-SSDOTTSWSA-N	294.263	1.545	10	20	CDCD	
C[C@@H]1COCCN1Cc1cc2c(cc1O)OC[C@@H]2O	766634323	MTTNUNLZFXSHPF-RNCFNFMXSA-N	265.309	1.039	10	20	CDCD	
CNC(=O)CCCCC(=O)NCc1cc(C)ccc1O	862757392	SCFXHABBWGAJSI-UHFFFAOYSA-N	278.352	1.623	10	20	CDCD	
CC(C)[C@H](NC=O)C(=O)N(C)Cc1ccccc1O	860047420	DIGXIGOSYBWDDM-ZDUSSCGKSA-N	264.325	1.121	10	20	CDCD	
O=C(Cn1ccc(C(F)(F)F)n1)NCc1ccccc1O	769359977	VNEDTSSGQLDDFX-UHFFFAOYSA-N	299.252	1.924	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2cc(CO)c(C)o2)c1	866766910	DRASRDMRTYZNSK-UHFFFAOYSA-N	291.303	1.725	10	20	CDCD	
Cc1ccc(CN2CCS(=O)(=O)C[C@@H]2C)c(O)c1	876747602	HVGPMIGGIMXVTE-NSHDSACASA-N	269.366	1.320	10	20	CDCD	
NC(=O)[C@H](NC(=O)c1cc(O)cs1)c1ccc(F)cc1	768732468	LTWMHRZZMXTQEA-LLVKDONJSA-N	294.307	1.549	10	20	CDCD	
C[C@@H](CCO)NC(=O)N[C@H](C)c1ccc(N(C)C)cc1	776144177	OEPWBGSWFIMXTR-NWDGAFQWSA-N	279.384	1.884	10	20	CDCD	
CN1CCCC[C@H](C(=O)N(C)c2ccc(N)cc2)C1=O	877075354	AGDNDCBBXCVWFW-ZDUSSCGKSA-N	275.352	1.490	10	20	CDCD	
COCCN(CC(C)=O)c1ccc(OC)c(OC)c1	878255661	MVWIGEYVWFFTGK-UHFFFAOYSA-N	267.325	1.746	10	20	CDCD	
Cc1nc(C(=O)NCc2ccc(O)c(O)c2)c2ccccn12	778927197	KIKDADQOXODLGZ-UHFFFAOYSA-N	297.314	1.984	10	20	CDCD	
COc1ccc(O)c(CNC(=O)NCc2conc2C)c1	875289555	JXYPIZHGGVPRJR-UHFFFAOYSA-N	291.307	1.697	10	20	CDCD	
CC(=O)C(=O)Cn1nc(C(F)(F)F)cc1Br	882191701	PYOQNGYREUUVJY-UHFFFAOYSA-N	299.046	1.823	10	20	CDCD	
COc1cc(C)cc(CN2CC[C@@H]([C@H](C)O)C2)c1O	894432251	XQXBCDDYAPJIKY-NWDGAFQWSA-N	265.353	1.912	10	20	CDCD	
Cc1ccc(CCNC(=O)c2c(F)ccc(O)c2O)cn1	789977117	ODEWMDFJAPABNH-UHFFFAOYSA-N	290.294	1.913	10	20	CDCD	
O=C(COC1CCCC1)OCC(=O)c1ccc(O)c(O)c1	783040662	AULZXCBHQKSFEE-UHFFFAOYSA-N	294.303	1.783	10	20	CDCD	
CCN1C(=O)C(C)(C)N[C@H]1c1ccc(OC)c(OC)c1O	899380413	OWIBKILHPUSMGS-CYBMUJFWSA-N	294.351	1.638	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNCCC[C@H](C)O)c1O	789759066	YGMDWEVQRDQNIN-VIFPVBQESA-N	284.312	1.560	10	20	CDCD	
CNC(=O)CCCNCc1ccc(OC)c(OC)c1O	892705145	MLFQCXZAWRBGIH-UHFFFAOYSA-N	282.340	1.025	10	20	CDCD	
O=C(NCCCN1CCCCC1=O)c1cccc(O)c1O	790664902	WMKZMZCASRRMBW-UHFFFAOYSA-N	292.335	1.230	10	20	CDCD	
FC(F)(F)Cn1nnc(CSc2nccs2)n1	799303245	IVBBXTLVGCZQKL-UHFFFAOYSA-N	281.288	1.984	10	20	CDCD	
Cn1c(CNC(=O)c2cccc(O)c2O)nnc1C1CC1	790919001	GIEBPTNVJBYWOX-UHFFFAOYSA-N	288.307	1.034	10	20	CDCD	
CC(C)CN1CCN(Cc2ccc(N)cc2)CC1=O	1336117555	PDBSFFMSKPMOEH-UHFFFAOYSA-N	261.369	1.569	10	20	CDCD	
CCS(=O)(=O)CCN(C)Cc1cc(F)cc(F)c1O	1350310124	QCWOFEGITGGEGD-UHFFFAOYSA-N	293.335	1.537	10	20	CDCD	
C[C@@H](CCNCc1cc([N+](=O)[O-])ccc1O)CC(=O)O	1321907394	PGAYVIJRLQNGBO-VIFPVBQESA-N	282.296	1.891	10	20	CDCD	
CC(C)(CNCc1ccccc1O)N1CCOCC1	20120605	WQIUKDDIKFWMGJ-UHFFFAOYSA-N	264.369	1.593	10	20	CDCD	
Cc1nc([C@@H](C)NC(=O)c2cc(O)cs2)no1	1327764824	BIVQWPFSXNVJDZ-RXMQYKEDSA-N	253.283	1.636	10	20	CDCD	
C[C@@H]1COCCN(C(=O)NCCc2ccc(N)cc2)C1	1335889517	DZLGRCWGXOAIHG-LBPRGKRZSA-N	277.368	1.489	10	20	CDCD	
C[C@]1(C(=O)NCc2cccc(O)c2O)CCCOC1	1347234770	QANGVOUFBPRCPB-AWEZNQCLSA-N	265.309	1.531	10	20	CDCD	
CO[C@H]1CCC[C@@H]1C(=O)NCc1ccc(O)c(O)c1	1262614408	HMPNNRRUTRXOHJ-GWCFXTLKSA-N	265.309	1.529	10	20	CDCD	
CN(Cc1cn(C)nc1C(=O)O)c1ccc2c(c1)OCO2	1353900547	ZQNHCUJCIGWGQN-UHFFFAOYSA-N	289.291	1.483	10	20	CDCD	
CO[C@H]1CCC[C@@H](C(=O)NCc2cccc(O)c2O)C1	1528771757	XBLBHWRCWZIRGB-PWSUYJOCSA-N	279.336	1.919	10	20	CDCD	
O=C(O)[C@H]1C[C@@H](O)CN(Cc2cccc(Cl)c2O)C1	1601769632	PHMWJPKHWBWJML-VHSXEESVSA-N	285.727	1.313	10	20	CDCD	
CSC[C@H](O)CSc1ncc(C(=O)O)s1	1607395288	UCJHAUWEUMKJAZ-YFKPBYRVSA-N	265.381	1.657	10	20	CDCD	
COc1cc(C)cc(CN[C@H](CCN)C(F)F)c1O	1579144273	BDOVVNIUOKDFEV-SNVBAGLBSA-N	274.311	1.781	10	20	CDCD	
C[C@H](NCCOCC(=O)O)c1ccc(N(C)C)cc1	1589128314	PINXHSAXCPERBV-NSHDSACASA-N	266.341	1.504	10	20	CDCD	
C[C@@H]1CC[C@H](C(=O)O)N1C(=O)Cc1ccc(O)c(O)c1	1594217927	WNNVNMDAJUBENC-PSASIEDQSA-N	279.292	1.104	10	20	CDCD	
CCN1CCc2cc(CN[C@@H](CC(=O)O)C(=O)O)ccc21	1776877713	HUKYYSGTDMKQMW-LBPRGKRZSA-N	292.335	1.087	10	20	CDCD	
CC(=O)N[C@H](C(=O)NCc1ccc(N(C)C)cc1)C(C)C	15134896	IEROQGGNBPXFBB-HNNXBMFYSA-N	291.395	1.530	10	20	CDCD	
CC1CCN(c2ccc(CNC(=O)[C@H](C)N)cc2)CC1	167861014	PKYSVOSWZJHZBO-ZDUSSCGKSA-N	275.396	1.886	10	20	CDCD	
CCO[C@@H]1C[C@@](N)(C(=O)NCc2ccccc2O)C1(C)C	157717924	LBLPPLDHCHOFCT-CZUORRHYSA-N	292.379	1.541	10	20	CDCD	
CCn1ccc(C(=O)N(C)Cc2ccccc2O)n1	843820582	WWCAKQIZYISTLL-UHFFFAOYSA-N	259.309	1.881	10	20	CDCD	
O=C(CNCc1ccc2c(c1)CCCO2)NC1CC1	921519349	BMJCPHISSOTNPN-UHFFFAOYSA-N	260.337	1.380	10	20	CDCD	
CCOC[C@H]1CCN(C(=O)Cc2ccc(N)cc2)C1	236979851	RBZXUWMSSGFPGA-ZDUSSCGKSA-N	262.353	1.696	10	20	CDCD	
O=C1NC[C@H]2CN(Cc3c(O)cccc3Cl)CCN12	156064846	RTUGGSBGXCEJCJ-VIFPVBQESA-N	281.743	1.255	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@]2(C)CCNC2)cc1	62899678	XOWHMPLRHVQMHS-OAHLLOKOSA-N	261.369	1.368	10	20	CDCD	
Oc1ccc(F)cc1CNC[C@H]1CN2CCC[C@H]2CO1	300416290	OOWAKBVNYSEMQF-KBPBESRZSA-N	280.343	1.484	10	20	CDCD	
Cc1ccc(O)c(CN[C@H]2CS(=O)(=O)C[C@H]2C)c1	711722450	PNXNGPYRXOXSFD-PWSUYJOCSA-N	269.366	1.223	10	20	CDCD	
COc1ccc2c(c1)CCCN2CC(=O)NC1CC1	27578664	QSMPEPACYVRRBP-UHFFFAOYSA-N	260.337	1.726	10	20	CDCD	
Cc1ccc(C(=O)NCCCc2cnn(C)c2)c(O)c1O	179473487	DBHBJWWJBPQUSX-UHFFFAOYSA-N	289.335	1.502	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CCCOC1	173205198	AGODHPYGDNYHMC-LBPRGKRZSA-N	290.363	1.905	10	20	CDCD	
CC(C)NC(=O)CN1CCOc2cc(N(C)C)ccc21	130445533	DBUWJKWZSKAYRG-UHFFFAOYSA-N	277.368	1.476	10	20	CDCD	
CC(=O)C[C@H](C)NC(=O)c1ccc(C)c(O)c1O	182884731	XFXXMRQRBLODLK-QMMMGPOBSA-N	251.282	1.504	10	20	CDCD	
Cc1nc2n(n1)C[C@H](N[C@@H](C)c1ccccc1O)CC2	183485210	WQHAMXDVZWAACU-CMPLNLGQSA-N	272.352	1.958	10	20	CDCD	
CCCCCN1CC(=O)N[C@H]1c1cc2c(cc1O)OCO2	182333806	BPQUQFAUWULELZ-OAHLLOKOSA-N	292.335	1.742	10	20	CDCD	
COCCN1CCN(Cc2cc(F)ccc2O)CC1	179896223	BDTLEELCUNMDTD-UHFFFAOYSA-N	268.332	1.295	10	20	CDCD	
COc1cccc(CN(CC(=O)O)C2CC2)c1O	86751661	PDABHXPLIYMGQU-UHFFFAOYSA-N	251.282	1.450	10	20	CDCD	
COc1cccc(CNC(=O)NCC[C@@H](C)OC)c1O	266874492	VJBGXSMSKPUXFA-SNVBAGLBSA-N	282.340	1.625	10	20	CDCD	
CCOC(=O)[C@H](C)CNC(=O)c1ccc(C)c(O)c1O	272791771	WZYYUORBISFROO-SECBINFHSA-N	281.308	1.335	10	20	CDCD	
Cc1cc(O)c(CN2CCc3n[nH]c(=O)cc3C2)cc1C	274951232	SJKKRNINVUGOPU-UHFFFAOYSA-N	285.347	1.651	10	20	CDCD	
COC(=O)C1(C(=O)N(C)Cc2ccc(N(C)C)cc2)CC1	274295299	LXVUVSXANWMNCX-UHFFFAOYSA-N	290.363	1.664	10	20	CDCD	
OC[C@H](CN[C@@H]1CCc2cccc(O)c21)[C@@H]1CCOC1	296444645	MUULYGPEWLEGFQ-HZSPNIEDSA-N	277.364	1.614	10	20	CDCD	
Nc1ccc(CCNC(=O)N[C@@H]2CCCC[C@H]2N)cc1	818656738	XFPJPFQERZROCA-ZIAGYGMSSA-N	276.384	1.380	10	20	CDCD	
COc1ccc(N2CCC(N[C@@H]3CC[C@H]3O)CC2)cc1	818231431	RQDQSOPEFFASMW-HZPDHXFCSA-N	276.380	1.777	10	20	CDCD	
O=C(NCCCSc1nccs1)N1CCO[C@H]2C[C@@H]21	813681871	UTOCNTHDVPWBBV-UWVGGRQHSA-N	299.421	1.808	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C1(C(N)=O)CCC1	729259925	XTUFSOHDJPJPBX-UHFFFAOYSA-N	289.379	1.367	10	20	CDCD	
C[C@H](NCc1cn(C)cn1)c1cc([N+](=O)[O-])ccc1O	903352700	WCNQVFTVZKEXDZ-VIFPVBQESA-N	276.296	1.885	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)CCO)cc1F	902856357	JVEUANOTHLZEKG-UHFFFAOYSA-N	268.332	1.671	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN[C@@]1(CC(=O)O)CCOC1	901835998	OVVDFAHTCOLSAT-MRXNPFEDSA-N	292.379	1.784	10	20	CDCD	
CCCCN1CC(=O)N[C@H]1c1cc(C(=O)O)ccc1O	736995189	KNCVALNAFTTZOS-CYBMUJFWSA-N	278.308	1.321	10	20	CDCD	
CCOCCOC1CN(Cc2c(O)cccc2OC)C1	838991916	YZZHEMMCVXTPNM-UHFFFAOYSA-N	281.352	1.638	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNCCN1CCOC[C@@H]1C	840937479	UWBUQNIJHYUJOZ-HNNXBMFYSA-N	291.439	1.871	10	20	CDCD	
Cc1cccc(CNC[C@@H]2CNCCCO2)c1O	841086102	MJTLUNHPKMITTL-ZDUSSCGKSA-N	250.342	1.169	10	20	CDCD	
COc1ccc2c(c1)N(C(=O)/C=C/c1cnn(C)c1)CCO2	742840073	HJFMGLKUXUUXTJ-ZZXKWVIFSA-N	299.330	1.868	10	20	CDCD	
CC(C)[C@@H](CN(C)C)NC(=O)c1cc(O)cs1	743586872	JOVWKMVTGQRUCQ-SNVBAGLBSA-N	256.371	1.770	10	20	CDCD	
CC1(C)CN(C(=O)NCCc2ccc(N)cc2)CCO1	841962822	UCAXLMNGPZTGRU-UHFFFAOYSA-N	277.368	1.632	10	20	CDCD	
Cn1ccc(CNCc2cc([N+](=O)[O-])ccc2O)c1	748098748	MJAOBPSYZQYTML-UHFFFAOYSA-N	261.281	1.929	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC[C@@]1(O)CCN(C)C1	840938990	IWQCNFKXBAXGQU-INIZCTEOSA-N	277.412	1.217	10	20	CDCD	
CN(C)c1ccc(CNCC[C@@]2(O)CCCOC2)cc1F	846109438	JEJOAZURPWUKHM-INIZCTEOSA-N	296.386	1.913	10	20	CDCD	
COCCN(CC(=O)O)Cc1c(O)ccc(Cl)c1F	840995511	QGJGSJMCKNNYQC-UHFFFAOYSA-N	291.706	1.718	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNCCS(C)(=O)=O	840931148	UAGGEUQOWZIHQX-UHFFFAOYSA-N	270.398	1.195	10	20	CDCD	
CC(C)NC(=O)[C@H](C)NCc1ccc(N(C)C)c(F)c1	840974751	NYNQAGALZABESW-NSHDSACASA-N	281.375	1.894	10	20	CDCD	
NC[C@H]1CC[C@H](CNCc2cc3c(cc2O)OCO3)CC1	841080172	QRCJWSFNEUYRKZ-HAQNSBGRSA-N	292.379	1.976	10	20	CDCD	
CCC(CC)(C(=O)O)C(=O)NCc1ccc(OC)cc1O	846705768	XZELKZZBUJOATJ-UHFFFAOYSA-N	295.335	1.908	10	20	CDCD	
CNC(=O)N1CCN(Cc2ccc(N(C)C)cc2C)CC1	840917971	XNDKDRUMNKBUAB-UHFFFAOYSA-N	290.411	1.518	10	20	CDCD	
C[C@H](NCc1ccc(N2CCN(C)CC2)cc1)C1CNC1	925764345	YNKVQDYFTBNNTE-AWEZNQCLSA-N	288.439	1.136	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@@H](C)[C@H](C)S(C)(=O)=O)c1	862757170	JXJMRPXYFHJZML-QWRGUYRKSA-N	299.392	1.386	10	20	CDCD	
COCC1CN(c2cc(OC)c(OC)cc2[N+](=O)[O-])C1	865913814	VNWQWTBTWFJKGS-UHFFFAOYSA-N	282.296	1.695	10	20	CDCD	
Cc1cccc(O)c1CN(C)CCS(C)(=O)=O	876585148	BBSCBBLIUFJNAN-UHFFFAOYSA-N	257.355	1.177	10	20	CDCD	
C[C@H](NC(=O)[C@@H]1C[C@H](C)CCN1)c1ccccc1O	877255869	JBTJXIMWSUZDSS-MDZLAQPJSA-N	262.353	1.958	10	20	CDCD	
COc1ccc(CNC(C)(C)CO)cc1Cn1cccn1	873048541	DDCXOSFBRATYTP-UHFFFAOYSA-N	289.379	1.801	10	20	CDCD	
COC(=O)c1[nH]c(C)cc1NC(=O)c1cccc(O)c1O	776652114	LUEDRUUGXWZUDP-UHFFFAOYSA-N	290.275	1.773	10	20	CDCD	
C[C@@H](O)CCCNCc1ccc(N2CCC(O)CC2)cc1	877484709	LUXICDXBWNBQAX-CQSZACIVSA-N	292.423	1.898	10	20	CDCD	
CCOC(=O)C1=NN(c2ccc(OCC)cc2)C(=O)[C@H]1C	871943508	KRYLRFZIMLELFO-JTQLQIEISA-N	290.319	1.987	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)c1ccc2cccnn12	778929367	IZAZTWLFGFOMPN-UHFFFAOYSA-N	283.287	1.676	10	20	CDCD	
COc1cc(O)c(CN[C@@H](C)C(C)(C)O)cc1OC	776151864	WXSLUEFAEXWHHI-VIFPVBQESA-N	269.341	1.658	10	20	CDCD	
CC(C)[C@@H](CO)NCc1ccc(N2CCC(O)CC2)cc1	877074733	REEYSBNZCUAJMJ-QGZVFWFLSA-N	292.423	1.754	10	20	CDCD	
C[C@@H]1CCc2n[nH]cc2[C@H]1C(=O)NCc1ccc(N)cc1	1122445568	VFUKGWXVFRKIQK-BMIGLBTASA-N	284.363	1.974	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@H]1NCCc2occc21	1121847656	BHHFZOZCRYIQQH-HNNXBMFYSA-N	286.331	1.831	10	20	CDCD	
COC(=O)[C@H](C)NCc1ccc(OC)c(OC)c1O	894026770	DJSPQEHNHSQVAD-QMMMGPOBSA-N	269.297	1.061	10	20	CDCD	
CO[C@@H]1CN(Cc2cc(F)c(N(C)C)cc2F)CCO1	895961472	AJBLRQKOWIFMGM-AWEZNQCLSA-N	286.322	1.836	10	20	CDCD	
Fc1cc(CNC2CSC2)ccc1N1CCOCC1	780873777	WRRMZDSIMYBRII-UHFFFAOYSA-N	282.384	1.867	10	20	CDCD	
CCN(CCC(=O)NC)Cc1cc(C)cc(OC)c1O	897710110	YIVCDMDEZHDPEA-UHFFFAOYSA-N	280.368	1.667	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)N2CC[C@@H]2CO)cc1	892133531	QAEHANRLSBLPOT-OAHLLOKOSA-N	291.395	1.809	10	20	CDCD	
CCCN1CC[C@@H](NCc2ccc(OC)c(OC)c2O)C1	895439267	ZLHBWLSBIVWOKW-CYBMUJFWSA-N	294.395	1.983	10	20	CDCD	
Cc1nc(CNC(=O)NCc2ccc(N(C)C)cc2)n[nH]1	891607306	OZBOIHVQMUTDCE-UHFFFAOYSA-N	288.355	1.179	10	20	CDCD	
CCc1cccc(CN2CC[C@H](CS(N)(=O)=O)C2)c1O	897052973	PEHSBVWHWPRQAM-NSHDSACASA-N	298.408	1.065	10	20	CDCD	
C[C@@H](NC(=O)N[C@@H](CN)C1CC1)c1ccccc1O	892027995	OXTBUVMIDRSQMF-SKDRFNHKSA-N	263.341	1.490	10	20	CDCD	
COC[C@@]1(CO)CCN(Cc2cc(C)cc(OC)c2O)C1	894929504	PFLFWZHHUOWCQS-INIZCTEOSA-N	295.379	1.540	10	20	CDCD	
Cc1ccc(C(=O)N2C[C@H](C)[S@@](=O)[C@H](C)C2)c(O)c1O	791176162	ICFVSVJWKXAFOP-SKKJYHNQSA-N	297.376	1.388	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N1CC([C@@H]2CCOC2)C1	792615860	UYYPLMUKOYVVKM-DTRQGZQOSA-N	289.331	1.606	10	20	CDCD	
COCC[C@@H](CO)NCc1cc(Cl)cc(F)c1O	798967315	VIWHWPRNWAHNIC-JTQLQIEISA-N	277.723	1.672	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)NOCC(F)F)c1	793172482	KKXYAVNSQSNWKY-SSDOTTSWSA-N	290.266	1.958	10	20	CDCD	
CCN(Cc1c(O)ccc(Cl)c1F)[C@H]1CCNC1=O	799737736	MCMGBJZQICULKJ-JTQLQIEISA-N	286.734	1.895	10	20	CDCD	
CC(C)CNC(=O)CNCc1ccc2c(c1)CCO2	134639476	OWDWJBDHPWNUSI-UHFFFAOYSA-N	262.353	1.483	10	20	CDCD	
CN(CCCn1ccnc1)C(=O)NCc1ccc(N)cc1	1335737233	MZSFRINKYWQRNJ-UHFFFAOYSA-N	287.367	1.697	10	20	CDCD	
CCO[C@H]1CCCN(C(=O)NCc2ccc(N)cc2)C1	1335732439	YGDMYMUOEJZTMC-AWEZNQCLSA-N	277.368	1.979	10	20	CDCD	
Oc1ccc(F)cc1CN[C@@H]1CCn2ccnc2C1	779192949	RHBGJSIWQLBMLN-GFCCVEGCSA-N	261.300	1.832	10	20	CDCD	
C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NCc1ccc(N)cc1	1335490560	HUSUNZRFIGSOHT-ABAIWWIYSA-N	288.395	1.551	10	20	CDCD	
Cn1ccnc1CCC(=O)NCc1ccc(O)c(O)c1	1346695661	NUJQRFMEWDJHKC-UHFFFAOYSA-N	275.308	1.080	10	20	CDCD	
C/C(=C/CNC(=O)NCc1cccc(Cl)c1O)C(=O)O	1602973825	YJGDEMUSEKWFRR-YVMONPNESA-N	298.726	1.876	10	20	CDCD	
CN(CCC(=O)O)c1ccc(/C=C\C(=O)O)cc1[N+](=O)[O-]	1598470266	VQEGQEXWBNVQBA-HYXAFXHYSA-N	294.263	1.604	10	20	CDCD	
CN(C)CCn1cc(NC(=O)Cc2ccc(N)cc2)cn1	166601639	VSBWAWLIXXQKHP-UHFFFAOYSA-N	287.367	1.208	10	20	CDCD	
CCOCC(=O)NCc1c(O)ccc2c1CCCC2	156356101	IPXALHZCOQBHPN-UHFFFAOYSA-N	263.337	1.924	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)[C@H]1CCCSC1	810629001	YZZLTOHIJPFOET-NSHDSACASA-N	281.377	1.900	10	20	CDCD	
COc1cccc(CN(C)C[C@@H]2COCCO2)c1O	827140321	JZUSNYRZRIMXPJ-GFCCVEGCSA-N	267.325	1.248	10	20	CDCD	
COc1cccc(CNC[C@@](C)(O)C(F)(F)F)c1O	270566159	RVIXBLZJIWGERK-LLVKDONJSA-N	279.258	1.804	10	20	CDCD	
CCc1cccc(CNC[C@@]2(O)CCN(C)C2)c1O	702614571	MCVGNEAGIHSSIN-HNNXBMFYSA-N	264.369	1.111	10	20	CDCD	
COc1cccc(O)c1CN1CCC(C(=O)O)CC1	820870873	FYEGJAHEOOSDAR-UHFFFAOYSA-N	265.309	1.697	10	20	CDCD	
COc1cc(O)c(CN2CCO[C@@H](C)C2)cc1OC	179435119	RAKIPOUAOHYRIY-JTQLQIEISA-N	267.325	1.630	10	20	CDCD	
Cc1nn(C)cc1C(=O)NCCc1ccc(O)c(O)c1	156686163	UDIOMBPWBNFBEU-UHFFFAOYSA-N	275.308	1.112	10	20	CDCD	
CCC[C@](C)(O)C(=O)N(C)Cc1ccccc1O	269605572	QBAJCAASPXCUIW-AWEZNQCLSA-N	251.326	1.902	10	20	CDCD	
C[C@H]1CC(=O)NCCN1Cc1c(O)ccc(Cl)c1F	367670555	NMASFZUXNBSDEH-QMMMGPOBSA-N	286.734	1.895	10	20	CDCD	
CC[C@H](NC[C@H]1CN(C)CCN1C)c1ccc(F)cc1O	285520334	BDGVFUCQIPMWQC-ZFWWWQNUSA-N	295.402	1.818	10	20	CDCD	
C[C@H](NCCC1(O)CCOCC1)c1ccccc1O	287728158	YGFULZLAVXMMPP-LBPRGKRZSA-N	265.353	1.974	10	20	CDCD	
CCCCN(Cc1ccccc1O)C(=O)CNC(=O)NC	282503251	NTAFMQANUYSQEN-UHFFFAOYSA-N	293.367	1.450	10	20	CDCD	
COC(=O)[C@@H](C)N(C)C(=O)/C=C/c1ccc(O)c(O)c1	281479462	DBKXYYHDWGSVOD-VPIOIWJLSA-N	279.292	1.131	10	20	CDCD	
C[C@@H](NCCCn1cc(CO)nn1)c1ccccc1O	289815529	ORVBCLPPPRECML-LLVKDONJSA-N	276.340	1.217	10	20	CDCD	
COC(=O)C[C@H](C)CC(=O)NCc1ccccc1O	809642623	IHBOSUJAMQLUTL-SNVBAGLBSA-N	265.309	1.598	10	20	CDCD	
CC[C@@H](O)CNC[C@H]1CCN(c2ccc(OC)cc2)C1	819381209	VSVPJUBIKMBJIG-UKRRQHHQSA-N	278.396	1.882	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CC[C@H]1C(N)=O	816822572	PICJPMJEFKXRPV-KGLIPLIRSA-N	289.379	1.223	10	20	CDCD	
COC[C@@]1(C(=O)O)CCCN1Cc1ccc(N(C)C)cc1	818629799	MGOPUCZRLOZLPO-MRXNPFEDSA-N	292.379	1.818	10	20	CDCD	
COc1ccc(O)c(CN2CCN([C@@H]3CCOC3)CC2)c1	827119810	NZNOKFXSNUMNPD-CQSZACIVSA-N	292.379	1.307	10	20	CDCD	
CC(C)N(CC(=O)O)Cc1cc2c(cc1O)OCO2	820015373	OVWITYDZEDUSEH-UHFFFAOYSA-N	267.281	1.416	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)CC(C)(C)N)c1	828666432	CIZWGYXMPNBSDF-SECBINFHSA-N	266.341	1.705	10	20	CDCD	
Cc1cc(O)c(CN2CCCN(C(N)=O)CC2)cc1Cl	824650154	MAFYTWNFFSGSTE-UHFFFAOYSA-N	297.786	1.940	10	20	CDCD	
CCOC(=O)CN(CCF)Cc1ccccc1O	823575848	CLYGIFGZFSAWPG-UHFFFAOYSA-N	255.289	1.727	10	20	CDCD	
CCOC(=O)CN(Cc1ccccc1O)C[C@H]1CCOC1	823576515	RDQPKQSMPGMACN-CYBMUJFWSA-N	293.363	1.794	10	20	CDCD	
C[C@@H](NC[C@H]1CCN1C)c1cc([N+](=O)[O-])ccc1O	903318614	RMUFPGLFDSMEAF-MWLCHTKSSA-N	265.313	1.655	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@@H]2CCCCN2C)c1	734016141	BLURUAVNKMDZGY-ZDUSSCGKSA-N	278.352	1.501	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@]2(C(=O)O)CC2(C)C)cc1	849364195	FPFYYXRLKGJQEU-INIZCTEOSA-N	290.363	1.870	10	20	CDCD	
CC(C)(C)N1C[C@@H](C(=O)NCc2ccccc2O)CC1=O	748345239	AKQPCXHEDWACTE-LBPRGKRZSA-N	290.363	1.655	10	20	CDCD	
COCC(COC)N1CCN(c2ccc(OC)cc2)CC1	846751140	NGTMOKYVAQLZRF-UHFFFAOYSA-N	294.395	1.479	10	20	CDCD	
CSCC[C@H](N)CC(=O)NCCc1ccc(N)cc1	911783232	RMZBBXULEBCZLL-ZDUSSCGKSA-N	281.425	1.398	10	20	CDCD	
C[C@@H](CNC(=O)Nc1ccc(N)cc1)CN1CCOCC1	841300791	VCUDZYHVIVHUNM-LBPRGKRZSA-N	292.383	1.359	10	20	CDCD	
C[C@@H]1CCN(C(=O)NCCc2ccc(N)cc2)C[C@@H]1CO	857103193	DMIFYKDEWASYGU-TZMCWYRMSA-N	291.395	1.471	10	20	CDCD	
O=C(NCc1ccccc1O)c1cccc(-n2ccnn2)c1	756001770	GMRGCLXMLABRRD-UHFFFAOYSA-N	294.314	1.903	10	20	CDCD	
C[C@@H](NC[C@H](O)c1cnn(C)c1)c1cc(F)cc(F)c1O	756616377	ZCINGTQLTZCXAO-OQPBUACISA-N	297.305	1.788	10	20	CDCD	
CC[C@@](C)(O)C(=O)NCc1ccc(N(C)C)c(F)c1	931147306	XGTPGCAYLQFRBS-CQSZACIVSA-N	268.332	1.669	10	20	CDCD	
COc1cccc(O)c1CN1CC[S@](=O)C[C@@H](C)C1	763646833	COYWJUMGMHMFED-WLRWDXFRSA-N	283.393	1.601	10	20	CDCD	
O=C(Cc1nc[nH]n1)NCc1c(O)ccc2c1CCCC2	866771250	OSVIENFZZYJQPJ-UHFFFAOYSA-N	286.335	1.248	10	20	CDCD	
CS(=O)(=O)c1ccc(/C=C2\SC(=O)NC2=O)o1	1119116610	QXDCUDZUYCYQAK-XQRVVYSFSA-N	273.291	1.007	10	20	CDCD	
CCN(C)c1ccc(CN2CCC(CO)(CO)CC2)cc1	879970958	JEYNIEYQXPQYDP-UHFFFAOYSA-N	292.423	1.710	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2C[C@H]3C[C@@]3(CO)C2)c1O	775098520	WXENXMANBMSCRI-YGRLFVJLSA-N	294.307	1.123	10	20	CDCD	
CC[C@@H](O)CCNCc1cc(C)cc(OC)c1O	894352102	KRMRSCOWRFCUFZ-GFCCVEGCSA-N	253.342	1.960	10	20	CDCD	
Cc1cc(C)c(O)c(CN2CC[C@@H](S(C)(=O)=O)C2)c1	799950018	BLHPLFHVDLLBDK-CYBMUJFWSA-N	283.393	1.628	10	20	CDCD	
COc1ccc(CNC(=O)[C@H]2CO[C@H](C)C2)c(O)c1	794373437	JRLCGSSASMGRBN-MWLCHTKSSA-N	265.309	1.442	10	20	CDCD	
COC[C@H](NC(=O)c1cc(O)cs1)[C@H]1CCCO1	791043122	YVNARAQGKNFULY-VHSXEESVSA-N	271.338	1.378	10	20	CDCD	
Cn1ccc(CNCc2cc(F)cc(F)c2O)n1	708534651	CKHSFBJIGRTHNX-UHFFFAOYSA-N	253.252	1.694	10	20	CDCD	
C[C@@](CO)(CNCc1cc(F)cc(F)c1O)CC(=O)O	1334853653	UKAHTINSAOHXAR-ZDUSSCGKSA-N	289.278	1.233	10	20	CDCD	
CO[C@@H](C(=O)NCc1cccc(O)c1O)C1CC1	1349079793	QZIGXJVHSGWQSW-GFCCVEGCSA-N	251.282	1.139	10	20	CDCD	
Oc1cccc(Cl)c1CNCCO[C@@H]1CCOC1	922938925	XTONZFVSTUSLRV-SNVBAGLBSA-N	271.744	1.941	10	20	CDCD	
O=C(CSc1ncc(C(=O)O)[nH]1)c1ccc(O)c(O)c1	1601350522	TWMIQOIGEOMHED-UHFFFAOYSA-N	294.288	1.494	10	20	CDCD	
CCCCN(Cc1ccccc1O)C(=O)[C@H](OC)C(=O)O	1603647357	IIZADRSDKPMCOD-ZDUSSCGKSA-N	295.335	1.621	10	20	CDCD	
C[C@H](NC[C@H]1CCCO1)c1cccc(-c2nn[nH]n2)c1O	1589965878	RHNOSOBPHTUEEI-VHSXEESVSA-N	289.339	1.402	10	20	CDCD	
C[C@H](N[C@H]1C=CCC1)c1cccc(-c2nn[nH]n2)c1O	1589952015	MYMNYXYZPVEEHV-UWVGGRQHSA-N	271.324	1.942	10	20	CDCD	
CC[C@H](C)N(CC(=O)O)C(=O)/C=C\c1ccc(O)c(O)c1	1594972521	WOEXBOOQWQMHID-BXKUYDPTSA-N	293.319	1.823	10	20	CDCD	
CCN[C@H](C)CN[C@H](C)c1cc(C(=O)O)ccc1O	1596499065	FVPVJNYQVAOVFC-NXEZZACHSA-N	266.341	1.739	10	20	CDCD	
CO[C@H]1CCN(Cc2cccc(C)c2O)[C@H](C(=O)O)C1	1599124052	PESCLGDWRQMKKM-STQMWFEESA-N	279.336	1.765	10	20	CDCD	
CN(C)c1ccc(CN[C@H](C[C@@H]2CCOC2)C(=O)O)cc1	1777039530	ARMFIMGXFXAGNQ-DZGCQCFKSA-N	292.379	1.722	10	20	CDCD	
Cc1cnc(C(=O)NCc2ccc(O)c(O)c2)cn1	158964946	AJEUROVKTHUMLU-UHFFFAOYSA-N	259.265	1.126	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NCC2(O)CCC2)c1	163993657	ITQHYIOTLLVXQD-SNVBAGLBSA-N	251.326	1.966	10	20	CDCD	
CC(=O)NCC1CCN(Cc2ccc(N)cc2)CC1	226300011	IYTFXSGNAVTPIY-UHFFFAOYSA-N	261.369	1.617	10	20	CDCD	
CCOC[C@@H]1CN(Cc2ccccc2O)CCO1	529666803	OEDUEMRESBQKHG-ZDUSSCGKSA-N	251.326	1.630	10	20	CDCD	
Oc1ccc(F)cc1CN1CC[C@@H]2NCC[C@@H]2C1	386482259	INJSJFVKZOEIPW-MFKMUULPSA-N	250.317	1.715	10	20	CDCD	
C[C@@H]1COCCCN1C(=O)c1cccc(O)c1O	398871907	CNXITBMOQCWHGJ-SECBINFHSA-N	251.282	1.349	10	20	CDCD	
CCc1cccc(CN[C@@H]2COC[C@@H]2OC)c1O	848917873	ZFZRYFCAJRFFPG-OLZOCXBDSA-N	251.326	1.458	10	20	CDCD	
COc1cccc(CNCC(C)(C)CCO)c1O	231403552	TUERXGRUQHLSOX-UHFFFAOYSA-N	253.342	1.899	10	20	CDCD	
O=C(COc1ccc(N2CCCC2)cc1)NC1CC1	178196257	NYTOCKGTCUZRIP-UHFFFAOYSA-N	260.337	1.944	10	20	CDCD	
Cc1cccn2cc(CNC(=O)c3cccc(O)c3O)nc12	187080120	SWSPSWQTZUDCML-UHFFFAOYSA-N	297.314	1.984	10	20	CDCD	
COCCCN(CCO)Cc1cc(F)ccc1O	188934239	KWESNVDPZIOWFK-UHFFFAOYSA-N	257.305	1.362	10	20	CDCD	
CCOC(=O)NCC(=O)NCc1ccc(N(C)C)c(F)c1	195107795	MDZTVWSDFCZJCN-UHFFFAOYSA-N	297.330	1.254	10	20	CDCD	
COc1ccc(O)c(CN[C@H](CC(C)C)C(=O)O)c1	43433001	WOMJMIARKNQDFL-GFCCVEGCSA-N	267.325	1.990	10	20	CDCD	
Cc1ccc(O)c(CN2CCN(C[C@@H]3CCOC3)CC2)c1	93817927	YUBHFKRTUWZELO-HNNXBMFYSA-N	290.407	1.855	10	20	CDCD	
C[C@@H](CNC(=O)Cc1ccc(N)cc1)Cn1ccnc1	237557334	TXIHJTAWPUQHGO-LBPRGKRZSA-N	272.352	1.460	10	20	CDCD	
CCOC1CC(O)(CNCc2cccc(C)c2O)C1	278772597	UVPKOLINWAKSCN-UHFFFAOYSA-N	265.353	1.720	10	20	CDCD	
Cc1ccc(C(=O)N2CC[S@](=O)[C@@H](C)[C@@H]2C)c(O)c1O	272801504	YONKCDMEGCZAPM-VUPYVKPUSA-N	297.376	1.388	10	20	CDCD	
C[C@@](O)(CC(=O)NCc1ccc(O)c(O)c1)C1CC1	272320085	KESTUOFKSOMVJD-CQSZACIVSA-N	265.309	1.265	10	20	CDCD	
Cc1cc(O)c(CN2CC[C@@H](S(C)(=O)=O)C2)cc1C	281783065	FADOYFDSTUIZMJ-CYBMUJFWSA-N	283.393	1.628	10	20	CDCD	
CO[C@](C)(CNC(=O)c1c(F)ccc(O)c1O)C1CC1	295938090	GJFIYASTSHTAGD-CQSZACIVSA-N	283.299	1.782	10	20	CDCD	
CCOC1CC(C(=O)NCc2ccc(OC)cc2O)C1	807455185	ZTYJEHGBWIIYJQ-UHFFFAOYSA-N	279.336	1.832	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@H]2CC[C@@H](CO)C2)c1	296286205	FEUHUUVOIQPODQ-LOWVWBTDSA-N	293.363	1.990	10	20	CDCD	
COc1ccc(CNC(=O)[C@@H]2O[C@@H](C)C[C@@H]2C)c(O)c1	800559632	GSNULUPQXRRZPZ-PKFCDNJMSA-N	279.336	1.831	10	20	CDCD	
Cc1nc(NC(=O)NCc2ccccc2O)nn1C	297440080	PPOIBNWCTRPLAK-UHFFFAOYSA-N	261.285	1.151	10	20	CDCD	
COc1cccc(CN2CC[C@H](OC(=O)N(C)C)C2)c1O	295124864	NTVXABGPUHFNNL-LBPRGKRZSA-N	294.351	1.673	10	20	CDCD	
CCn1nncc1C(=O)NCc1ccc(N2CCCC2)cc1	293456837	KYCPBIJXPPTDEF-UHFFFAOYSA-N	299.378	1.828	10	20	CDCD	
CCOc1ccc(CNCCCc2cnn(C)n2)c(O)c1	815144644	MQYUOFPIDXJSEO-UHFFFAOYSA-N	290.367	1.642	10	20	CDCD	
Oc1cc(F)c(Cl)cc1CN1C[C@@H]2CNC[C@@H]2C1	816522348	VNIJSEAOQWQZAL-AOOOYVTPSA-N	270.735	1.836	10	20	CDCD	
O=C(O)CCCNCc1ccc(N2CCOCC2)c(F)c1	819460005	AEDAMNCFNNDEMG-UHFFFAOYSA-N	296.342	1.617	10	20	CDCD	
Cc1cccc(CN2C[C@@H](N)[C@H](c3cnn(C)c3)C2)c1O	818430912	BNFQIKCJNCCHLU-LSDHHAIUSA-N	286.379	1.361	10	20	CDCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2N[C@@H]1COCC[C@H]1O	710860552	LMRRBRQHJDERLM-FDYHWXHSSA-N	277.364	1.988	10	20	CDCD	
C[C@@H](CNCc1cc(Cl)c(F)cc1O)S(C)(=O)=O	816559012	UTGZMHTYONXEFQ-ZETCQYMHSA-N	295.763	1.707	10	20	CDCD	
CC[C@H](CNC(=O)NCc1ccc(OC)cc1O)OC	811968968	QIAFDLFAEFMBAF-LLVKDONJSA-N	282.340	1.625	10	20	CDCD	
COCC1(NC(=O)c2ccc(C)c(O)c2O)CCOCC1	817226973	NETWZHGNPXWABL-UHFFFAOYSA-N	295.335	1.332	10	20	CDCD	
COCC[C@@H]1COCCN1C(=O)c1cc(O)cs1	812744243	DPGCCYVWSCKWJE-SECBINFHSA-N	271.338	1.331	10	20	CDCD	
COc1cccc(CN2C[C@H]3[C@H]4C=C[C@@H](O4)[C@H]3C2)c1O	824838433	NWQLMMJKCWHOGT-XJFOESAGSA-N	273.332	1.786	10	20	CDCD	
Cc1ccccc1/C=C1\SC(=S)N(CC(N)=O)C1=O	727176979	UZZJYPNBULFALG-POHAHGRESA-N	292.385	1.682	10	20	CDCD	
CN(C)CC(C)(C)CNC(=S)NCc1ccccc1O	727082854	VGIILYQOQZBRNW-UHFFFAOYSA-N	295.452	1.944	10	20	CDCD	
C[C@@H](NC(=O)C[C@@H]1CCC(=O)N1)c1ccccc1O	827930355	HSZDCCXBNNZYHD-ZJUUUORDSA-N	262.309	1.238	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)CC1(O)CCC1	825873099	FNHFFIFWBLTEFV-UHFFFAOYSA-N	276.380	1.982	10	20	CDCD	
COc1cc(O)c(CN2C[C@@H](C(=O)O)[C@@H](C)C2)cc1OC	833729342	LIJKNYWZOHNAJT-GXSJLCMTSA-N	295.335	1.562	10	20	CDCD	
Cc1ncoc1C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1	832267046	LVJMXSVHDVAJIK-CYBMUJFWSA-N	288.351	1.479	10	20	CDCD	
CN(C)c1ccc([C@@H](N)CNC(=O)c2ccco2)cc1	832285215	PSTMSHKCDAEMOO-ZDUSSCGKSA-N	273.336	1.775	10	20	CDCD	
C[C@H](N[C@@H]1COC[C@H]1O)c1cc(F)cc(F)c1O	834897133	QAOFIPSHAHVJFA-MQOMDTIOSA-N	259.252	1.081	10	20	CDCD	
CCCCOC(=O)COC(=O)c1cc(O)cs1	732354736	XYNXOEPCKFRKNB-UHFFFAOYSA-N	258.295	1.954	10	20	CDCD	
O=C(O)[C@H](O)C1CCN(Cc2cc(Cl)ccc2O)CC1	833770534	IPJAHKGLPATIFE-CYBMUJFWSA-N	299.754	1.703	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)[C@H]1CCc2n[nH]cc2C1	910950665	ZQGDOYXDXBYQRR-VIFPVBQESA-N	287.319	1.242	10	20	CDCD	
CCC(CC)(CO)C(=O)NCc1ccc(O)cc1O	910945451	WQZWWKIWWNRFLQ-UHFFFAOYSA-N	267.325	1.513	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC[C@@H](O)COCC1CC1	840932925	WOFOHKWDSOFXQP-QGZVFWFLSA-N	292.423	1.938	10	20	CDCD	
CN(C)c1ccc([C@H](N)CNC(=O)C[C@@H]2CCCN2)cc1	841846055	JKWPYEQWQJCFSZ-DZGCQCFKSA-N	290.411	1.011	10	20	CDCD	
COc1cccc([C@@H](C)NCc2nccn2C)c1O	846147750	VKPWFMUYMQTFAN-SNVBAGLBSA-N	261.325	1.985	10	20	CDCD	
COc1cc(Cl)cc(CN2C[C@@H]3CC[C@H](C2)N3)c1O	873217659	NYLAJEFUJLFASJ-TXEJJXNPSA-N	282.771	1.990	10	20	CDCD	
COc1ccc(O)c(CN[C@H](C)[C@H](O)C(F)(F)F)c1	877693630	MKNNOIYURWYVOO-HQJQHLMTSA-N	279.258	1.802	10	20	CDCD	
CCC[C@@H]1NC(=O)N(Cc2ccc(N(C)C)cc2)C1=O	777557648	MAQQIHZMDXJCLN-ZDUSSCGKSA-N	275.352	1.973	10	20	CDCD	
Cc1cccc(O)c1CNC[C@@H](O)CN1CCCC1	876965518	DZOZYSMANWIDMQ-CYBMUJFWSA-N	264.369	1.247	10	20	CDCD	
CCN(CC)CCOC(=O)/C=C\c1ccc(O)c(O)c1	772207524	OQFVKMJNLDLSOH-VURMDHGXSA-N	279.336	1.996	10	20	CDCD	
CC(C)C[C@@H](C)NC(=O)C(=O)NCCc1ccc(N)cc1	1117973362	VEWWOTAYAWHIGE-GFCCVEGCSA-N	291.395	1.478	10	20	CDCD	
Cc1ccc(C(=O)N2CCC[C@@H]2CCO)c(O)c1O	779285839	HGQJTTNHUUZOFJ-SNVBAGLBSA-N	265.309	1.393	10	20	CDCD	
CC(=O)NCCc1cn(Cc2ccc(N(C)C)cc2)nn1	881270867	CVCFFGZACGWXEJ-UHFFFAOYSA-N	287.367	1.071	10	20	CDCD	
CC(C)N1CC[C@H](NC(=O)NCc2ccc(N)cc2)C1=O	1120598561	DFXBAWMKECNVJU-ZDUSSCGKSA-N	290.367	1.077	10	20	CDCD	
CCOC(=O)[C@@H](NCc1ccccc1O)[C@@H]1CCCOC1	789578878	DBKIMFJNWNZIGM-HIFRSBDPSA-N	293.363	1.840	10	20	CDCD	
Cc1ccc(C(=O)NCCOC[C@@H]2CCCO2)c(O)c1O	780943529	KLNJBHZHYVWOIR-NSHDSACASA-N	295.335	1.332	10	20	CDCD	
CC(=O)NC[C@@H]1CCCN(Cc2ccc(N)cc2)C1	1120263114	KIABHKBNXDPBMQ-AWEZNQCLSA-N	261.369	1.617	10	20	CDCD	
COc1ccc(CNCC(C)(C)OC)c(O)c1OC	893087195	YOHVMJBNMOAISR-UHFFFAOYSA-N	269.341	1.924	10	20	CDCD	
COc1ccc(CN[C@@H]2CCCC[C@H]2O)c(O)c1OC	893685210	KAZQEMACAUJLNR-VXGBXAGGSA-N	281.352	1.803	10	20	CDCD	
CCOC1CC(O)(CNCc2cc(C)cc(OC)c2O)C1	894572681	JOKZKRDWFFUUEL-UHFFFAOYSA-N	295.379	1.729	10	20	CDCD	
COc1ccc(CN2C[C@H](C)N(C)[C@H](C)C2)c(O)c1OC	894640216	YUBKCYCPCRIXMP-TXEJJXNPSA-N	294.395	1.934	10	20	CDCD	
O=C(NCCc1ccc(CO)cc1)c1cccc(O)c1O	790917226	ZHDLXJGOBGMRDM-UHFFFAOYSA-N	287.315	1.563	10	20	CDCD	
CNC(=O)C1CCN(Cc2cc(OC)ccc2O)CC1	133340177	HJIBTCXZSSHDCN-UHFFFAOYSA-N	278.352	1.359	10	20	CDCD	
NC(=O)C1(NCc2cc(Br)ccc2O)CC1	191485159	GAITURZIAHVAHA-UHFFFAOYSA-N	285.141	1.262	10	20	CDCD	
O=C(CNCc1cc(F)cc(F)c1O)NCC(F)(F)F	708517638	RDZDBBGTWACQDF-UHFFFAOYSA-N	298.211	1.439	10	20	CDCD	
NC(=O)C1CCN(Cc2ccc(N3CCCC3)cc2)CC1	1253963083	LDEDYZOYTRDZGD-UHFFFAOYSA-N	287.407	1.984	10	20	CDCD	
COc1cccc(O)c1CN1C[C@@H]2CCNC[C@@H]2C1	904421222	UKCXVCPYMJZGSP-NWDGAFQWSA-N	262.353	1.442	10	20	CDCD	
C[C@H](C[S@@](C)=O)NCc1cc(F)c(N(C)C)cc1F	1351507534	MILGLVHJHBOUBY-AYLIAGHASA-N	290.379	1.887	10	20	CDCD	
O=C(NCc1cccc(O)c1O)c1cnn(CC2CC2)c1	1528771345	OAJHWGVHHBLUAH-UHFFFAOYSA-N	287.319	1.634	10	20	CDCD	
CC[C@H](COC)N[C@H](C)c1cccc(-c2nn[nH]n2)c1O	1604039106	GFKQKSHILMREAU-NXEZZACHSA-N	291.355	1.648	10	20	CDCD	
C[C@H](O)C[C@@H](C)N[C@H](C)c1cccc(-c2nn[nH]n2)c1O	1603695266	JPFGAOHEZUFAJK-KXUCPTDWSA-N	291.355	1.382	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)C2(C(=O)O)CCOCC2)c1	1605296268	BPWVYDOQEHZVDE-UHFFFAOYSA-N	293.319	1.198	10	20	CDCD	
C[C@@H](NCCCCN)c1cc(C(=O)O)ccc1O	1609776504	BNKKCQOBABROIG-SECBINFHSA-N	252.314	1.480	10	20	CDCD	
C[C@H](NCC1CC1)c1cccc(-c2nn[nH]n2)c1O	1589974988	DPPVNOOPVKYDSM-QMMMGPOBSA-N	259.313	1.633	10	20	CDCD	
CC(=O)NCCN(Cc1ccc(C)cc1O)[C@H](C)C(=O)O	1588515185	XGFYRASPZHKMKJ-LLVKDONJSA-N	294.351	1.112	10	20	CDCD	
C[C@@H](NCC[C@@H](O)C(F)F)c1cc(C(=O)O)ccc1O	1593261111	KOMNAEVPVYDKQV-RDDDGLTNSA-N	289.278	1.757	10	20	CDCD	
Cc1cc(-c2nn[nH]n2)cc(NCc2ccccc2O)n1	1591858489	BTAISYYCUWVPDP-UHFFFAOYSA-N	282.307	1.888	10	20	CDCD	
COc1ccc(N(C)CCCN2CCOC2=O)cc1	844353488	POYGOLGQQXXJFH-UHFFFAOYSA-N	264.325	1.974	10	20	CDCD	
C[C@H](NC[C@@]1(O)CCO[C@@H]1C)c1cc(F)ccc1O	228059080	JCHNBXYDTOJYLR-RBZYPMLTSA-N	269.316	1.722	10	20	CDCD	
CCN(C)C[C@H]1CCN(C(=O)Cc2ccc(N)cc2)C1	236874568	DSMOBXVOUPFZIQ-CQSZACIVSA-N	275.396	1.612	10	20	CDCD	
CCCCOCC(=O)NCCc1ccc(N)cc1	152509172	NKTMVRLVJXWQRG-UHFFFAOYSA-N	250.342	1.744	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)c1ccc2[nH]c(=O)[nH]c2c1	53916077	DWUQMRUUTACQEG-UHFFFAOYSA-N	297.314	1.834	10	20	CDCD	
COC(C)(C)CNCc1cc([N+](=O)[O-])ccc1O	174594870	OWKGEOBODWLUQV-UHFFFAOYSA-N	254.286	1.815	10	20	CDCD	
COC[C@@H](O)CCN[C@H](C)c1ccc(C)cc1O	186203135	NHWORQDBNWOKHD-NEPJUHHUSA-N	253.342	1.749	10	20	CDCD	
COC(=O)C[C@@H](C)C(=O)NCc1ccc(N(C)C)c(F)c1	128021990	QXQXDQCLLUPLKO-SNVBAGLBSA-N	296.342	1.707	10	20	CDCD	
CCN(CCO)CCNCc1ccc2c(c1)CCO2	184546965	PXAZZRUWPWPNCA-UHFFFAOYSA-N	264.369	1.025	10	20	CDCD	
CS(=O)(=O)c1nnc(CSc2nccs2)s1	188301895	MKDOGCQYEHTRDQ-UHFFFAOYSA-N	293.420	1.690	10	20	CDCD	
CN[C@@H](C)CNC(=O)NCc1c(C)c2ccccc2n1C	418099458	NKITWGGODGYOSV-NSHDSACASA-N	288.395	1.894	10	20	CDCD	
C[C@]1(CNC(=O)c2cccc(O)c2O)CCCC[C@H]1O	185794743	XDYACQMHRYIXNN-IUODEOHRSA-N	279.336	1.769	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@H]2CCCCC(=O)N2)cc1	193703516	VVJVBBOGTHZGGW-CQSZACIVSA-N	289.379	1.428	10	20	CDCD	
C[C@@H](c1nnnn1C1CC1)N(C)Cc1ccccc1O	192102800	JPMQCZQBKQCNEI-JTQLQIEISA-N	273.340	1.907	10	20	CDCD	
C[C@H]1CCS(=O)(=O)CCN1Cc1ccc(N(C)C)cc1	192054789	CGLWNLCOHXOTLR-ZDUSSCGKSA-N	296.436	1.762	10	20	CDCD	
Cc1ccc(O)c(CN2CCC[C@H](N3CCNC3=O)C2)c1	92189094	SUOQLLVDLHHTLL-AWEZNQCLSA-N	289.379	1.690	10	20	CDCD	
CC[C@H]1CN(Cc2ccc([N+](=O)[O-])c(OC)c2O)C[C@@H]1O	278565125	BTEGMXPVDCWUAG-CABZTGNLSA-N	296.323	1.512	10	20	CDCD	
C[C@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1O)C(=O)N(C)C	276898507	MZMMILWXDGWOOZ-IUCAKERBSA-N	281.312	1.428	10	20	CDCD	
CCCN(CCC)c1ccc(CN2C[C@H](O)[C@@H](O)C2)cc1	278434112	UKMBZVLJMAZFLL-IRXDYDNUSA-N	292.423	1.850	10	20	CDCD	
COc1cccc(CNC(=O)[C@@](C)(O)C2CC2)c1O	287381761	RBIIBNCUNGFKDJ-AWEZNQCLSA-N	265.309	1.178	10	20	CDCD	
Nc1ccc(CCNC(=O)c2cc([C@@H]3CCNC3)n[nH]2)cc1	295191592	OCCAPIWZJAXTBK-GFCCVEGCSA-N	299.378	1.041	10	20	CDCD	
CCCOc1ccc(CN2CC(NC(C)=O)C2)c(O)c1	297497896	UTPKEFHYSOJCAJ-UHFFFAOYSA-N	278.352	1.501	10	20	CDCD	
C[C@H](N[C@H](C)C(=O)NCCF)c1cc(F)cc(F)c1O	800498557	NFTCKAOYKLVPSW-JGVFFNPUSA-N	290.285	1.795	10	20	CDCD	
Cc1cc(Cl)cc([C@H](C)NC[C@@H]2CNCCO2)c1O	817983003	JKZUBDMPVPUDCP-JQWIXIFHSA-N	284.787	1.993	10	20	CDCD	
COc1ccc(CNC(=O)[C@@H](N)C2CCC2)c(O)c1	818000425	QOCQZGKBGZNIML-ZDUSSCGKSA-N	264.325	1.144	10	20	CDCD	
CNCCCN[C@@H](C)c1cc(C(=O)OC)ccc1O	817942269	ZSGOIUYVBPUFMN-JTQLQIEISA-N	266.341	1.439	10	20	CDCD	
Cc1ccc(C(=O)N(C)[C@@H]2CC(C)(C)OC2=O)c(O)c1O	817073498	JMFVZYNZFBECNR-SNVBAGLBSA-N	293.319	1.572	10	20	CDCD	
CCc1c(C(=O)NCc2cccc(OC)c2O)cnn1C	729859078	HCBMKZGPUHWWFN-UHFFFAOYSA-N	289.335	1.627	10	20	CDCD	
C[C@@H](NC(=O)C[C@@H]1COC(=O)C1)c1ccccc1O	827940847	JINGWAFVRNKSDR-ZJUUUORDSA-N	263.293	1.523	10	20	CDCD	
CN(CCC(=O)O)C(=O)/C=C/c1ccc(O)c(O)c1	820579970	OMLPPGOTMYQFFF-HWKANZROSA-N	265.265	1.044	10	20	CDCD	
O=C(N[C@H](CO)CC(F)(F)F)c1c(F)ccc(O)c1O	827955702	BULKMAHEJFNLIO-YFKPBYRVSA-N	297.204	1.280	10	20	CDCD	
CS(C)(=O)=NC(=O)COc1ccc(N2CCCC2)cc1	902716516	GRDUOBZCMBQFFE-UHFFFAOYSA-N	296.392	1.920	10	20	CDCD	
C[C@H](NC(=O)N1CC[C@@H](O)[C@H]1C)c1ccc(N(C)C)cc1	838559424	MFFZKHHUBIIHMC-YWPYICTPSA-N	291.395	1.978	10	20	CDCD	
CN1C(=O)CC[C@H]1CC(=O)NCc1ccccc1O	830526515	MQRQHTWCOMDSAN-NSHDSACASA-N	262.309	1.019	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)CC	64943455	WOTGHSVNRUBPEI-UHFFFAOYSA-N	270.398	1.924	10	20	CDCD	
C[C@H]1CCN(C(=O)c2cc(O)cs2)[C@@H](C(N)=O)C1	832542733	PABFJOOERMIDBM-IONNQARKSA-N	268.338	1.180	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)[C@@H]1C[C@@H]1C(=O)O	737021583	XSIZCTRGAOBRKY-NEPJUHHUSA-N	277.320	1.852	10	20	CDCD	
CN(CC(=O)N1CCCC1)C(=O)c1cc(O)cs1	732262324	UZQRSXLHJUUPQM-UHFFFAOYSA-N	268.338	1.148	10	20	CDCD	
CCCc1cc(C(=O)NCc2ccc(O)cc2O)n[nH]1	910951669	KVCAAAOUVDLXNE-UHFFFAOYSA-N	275.308	1.703	10	20	CDCD	
COc1cccc(O)c1CNC[C@]1(C)CCC(=O)N1	835060762	NDSUXOSDJSETKQ-AWEZNQCLSA-N	264.325	1.159	10	20	CDCD	
CCN(C)C[C@@H](O)CN[C@H](C)c1ccc(N(C)C)cc1	846860664	LMNVHKKTKHGDBT-CJNGLKHVSA-N	279.428	1.716	10	20	CDCD	
CN(C)c1ncc(CNCc2ccc3c(c2)CCO3)n1C	840890404	RRXQNGIKYSSHHW-UHFFFAOYSA-N	286.379	1.711	10	20	CDCD	
O=C1C[C@H]2C[C@@H]1[C@H](C(=O)NCc1ccc(O)cc1O)C2	910943405	BRCFFZNURFQEGM-XXILOJSOSA-N	275.304	1.329	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN1C[C@H]2C[C@H]1C(=O)O2	840950558	KZOXCRWJUCYVQK-KGLIPLIRSA-N	260.337	1.561	10	20	CDCD	
COC[C@@]1(CNCc2ccc(N(C)C)c(F)c2)CCCN1	841067576	NHFWGZYOLIPDHY-INIZCTEOSA-N	295.402	1.750	10	20	CDCD	
O=C(CC1OCCCO1)NCc1cc(Cl)ccc1O	846474263	SVBAEEWPLFAUOU-UHFFFAOYSA-N	285.727	1.815	10	20	CDCD	
CC[C@H](C)[C@H](O)CNC(=O)NCCc1ccc(N)cc1	841954092	HPLDKEKDDOISMC-SMDDNHRTSA-N	279.384	1.518	10	20	CDCD	
COc1ccc(O)c(CN[C@H]2CC[C@@H](CN)C2)c1	841084596	LLVHSZFROYVUAO-PWSUYJOCSA-N	250.342	1.618	10	20	CDCD	
CCn1ccc(CC(=O)NCc2ccc(O)c(O)c2)n1	845833217	DPBAKSFPFBLVME-UHFFFAOYSA-N	275.308	1.173	10	20	CDCD	
Cc1cc(Br)c(O)c(CN[C@H]2CCNC2)c1	841044721	GQEICWUGQOZQAR-JTQLQIEISA-N	285.185	1.915	10	20	CDCD	
COc1ccc(O)c(CN[C@H](CCN)C(F)(F)F)c1	841090265	HKWKXUJYROCOKC-LLVKDONJSA-N	278.274	1.770	10	20	CDCD	
CCn1cc(S(=O)(=O)Nc2ccc(O)cc2F)cn1	758168542	BWXBPAQBSUWCAA-UHFFFAOYSA-N	285.300	1.549	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NCc2cc(C)no2)c1	858169921	DXYUUWWUAJKBCG-UHFFFAOYSA-N	275.308	1.996	10	20	CDCD	
Cc1c(CNC(=O)NCc2ccccc2O)cnn1C	758912926	HEZKZRYGZVSRJC-UHFFFAOYSA-N	274.324	1.434	10	20	CDCD	
CCc1nc(COC(=O)/C=C/c2ccc(O)c(O)c2)n[nH]1	759588105	IGHIUYBWCKLBHO-GQCTYLIASA-N	289.291	1.535	10	20	CDCD	
C[C@@H](N[C@@H]1COC[C@@H]1O)c1ccc2ccccc2c1O	866420887	SOIWSMMHDIJNLE-KMUNFCNLSA-N	273.332	1.956	10	20	CDCD	
COc1ccc(O)c(CNC(=O)Cn2nccc2C)c1	860242820	XTCUTJZYZNHFFT-UHFFFAOYSA-N	275.308	1.222	10	20	CDCD	
O=C(NCc1ccccc1O)c1ccc(-n2ccnn2)cc1	760453473	GBWYNIJXIDZOLJ-UHFFFAOYSA-N	294.314	1.903	10	20	CDCD	
CN(CC1(C)COC1)C(=O)NCc1ccc(N(C)C)cc1	863497955	BFYOCNSYVCEZRO-UHFFFAOYSA-N	291.395	1.931	10	20	CDCD	
CCCn1cc(C(=O)N(C)Cc2ccccc2O)nn1	767070088	RAGJZHATUUACDP-UHFFFAOYSA-N	274.324	1.666	10	20	CDCD	
CO[C@H]1C[C@H](NC(=O)N(C)Cc2ccccc2O)C1	875906239	KQXOPLRCQWGHPS-HAQNSBGRSA-N	264.325	1.711	10	20	CDCD	
COC[C@H]1CCCN1NC(=O)/C=C\c1ccc(O)c(O)c1	862594683	JYKQLWCPBAXBMM-SMYYYNMVSA-N	292.335	1.253	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cncnc1	773744212	PSZNIJHPBQRCMQ-SECBINFHSA-N	273.292	1.249	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N[C@H]1CC[C@H](O)CC1	779533376	FMQFFTNFUMQSOV-WXRUNRBPSA-N	277.320	1.531	10	20	CDCD	
CCN(C)c1ccc(CN2C[C@@H]3CNC[C@@H]3C2)cc1	773748068	WBBRZUTWQRLJCT-GASCZTMLSA-N	259.397	1.794	10	20	CDCD	
COC(=O)[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)C(C)C	886326058	WOKQLCYDKUXXKW-BRLPQQTGSA-N	293.319	1.425	10	20	CDCD	
CC(=O)N1CCC(NC(=O)c2ccc(C)c(O)c2O)CC1	780854196	BPSIAMHKRAQWCT-UHFFFAOYSA-N	292.335	1.147	10	20	CDCD	
CCOc1ccc(O)c(CN[C@H](CO)C[C@H]2CCCO2)c1	886229890	XJYKWPMZWXQLJW-UONOGXRCSA-N	295.379	1.811	10	20	CDCD	
Nc1ccc(CNC(=O)N2CC[C@@H]([C@@H]3CCOC3)C2)cc1	1120677611	UJINAXSHKXPLFS-ZIAGYGMSSA-N	289.379	1.837	10	20	CDCD	
CC1(C)CNC(=O)[C@@H]1NCc1c(O)ccc(Cl)c1F	895324629	QWFQEZZIPOVWSJ-NSHDSACASA-N	286.734	1.799	10	20	CDCD	
COCCCNCc1ccc(N2CCC(O)CC2)cc1	76275572	VIMRTGWSKWFKEG-UHFFFAOYSA-N	278.396	1.774	10	20	CDCD	
C[C@H](NCc1ccc(N2CCCC2)cc1)C(=O)NCCF	1321696632	RTEQBUCUPJTWFV-ZDUSSCGKSA-N	293.386	1.851	10	20	CDCD	
CO[C@H]1C[C@H](NCc2ccc(N3CCOCC3)cc2)C1	706539112	KRLYFCDDVWTWLY-KOMQPUFPSA-N	276.380	1.790	10	20	CDCD	
C[C@H](NCCN1CCC(CO)CC1)c1ccc(F)cc1O	1321023213	LJTLUAPYDANYRC-LBPRGKRZSA-N	296.386	1.886	10	20	CDCD	
CN(C)C[C@H](NCc1c(O)ccc(Cl)c1F)C(=O)O	1332486025	PQKLCJRQUZGWTH-VIFPVBQESA-N	290.722	1.289	10	20	CDCD	
CNC(=O)N1CCN(Cc2cc(Cl)ccc2O)CC1	722188351	HVPRVPYTLYYZKL-UHFFFAOYSA-N	283.759	1.503	10	20	CDCD	
Nc1ccc(CNC(=O)NC[C@H]2CC[C@@H](O)C2)cc1	1337069847	DGQWIFMGLLMGKD-WCQYABFASA-N	263.341	1.229	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NC[C@H]2CCCOC2)c1	1330439150	JTDOPBUIMZWQLM-GFCCVEGCSA-N	278.352	1.926	10	20	CDCD	
CCN(CC)c1ccc(CNC[C@@H](O)C(=O)O)cc1F	1332031011	ADDCJIPNNLXSOO-CYBMUJFWSA-N	284.331	1.207	10	20	CDCD	
CC[C@H]1CCN(C(=O)C(=O)NCCc2ccc(N)cc2)C1	1348603190	BAPQATMSJMOMAT-LBPRGKRZSA-N	289.379	1.186	10	20	CDCD	
CC[C@H](C(=O)O)N(C)Cc1cc2c(cc1O)OC[C@@H]2O	1589440814	AKTQXPZNSLVMBN-PWSUYJOCSA-N	281.308	1.113	10	20	CDCD	
Nc1ccc(CNCc2ccc(-c3nncnn3)cc2)cc1	1580446837	IMNWVXRRYBLDRR-UHFFFAOYSA-N	292.346	1.806	10	20	CDCD	
NC1(CNC(=O)Cc2ccc(O)c(O)c2)CCCC1	1580147653	WBGBOIISESEKLM-UHFFFAOYSA-N	264.325	1.028	10	20	CDCD	
CCOc1ccc(N2CCN(C[C@H](C)O)CC2)cc1	1251963491	YGHRKLZWGBZCIP-ZDUSSCGKSA-N	264.369	1.588	10	20	CDCD	
CC[C@H]1CN(Cc2cc(OC)ccc2O)CC[C@H]1N	251879145	VBMWMOFDSJSMRZ-SMDDNHRTSA-N	264.369	1.960	10	20	CDCD	
CCOC(=O)[C@@H](C)N1CCCc2cc(CN)ccc21	700821209	VSIYCBXTSNKDTK-LLVKDONJSA-N	262.353	1.850	10	20	CDCD	
CCCCN(CCO)C(=O)c1ccc(C)c(O)c1O	181916831	MNHKQTRHWZQBDQ-UHFFFAOYSA-N	267.325	1.641	10	20	CDCD	
CCOC(=O)C1CCN(C(=O)c2cccc(O)c2O)CC1	126239621	XBCMQNFLESJOCA-UHFFFAOYSA-N	293.319	1.513	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NCCCN2CCOC2=O)c1	182321782	BVMKQUQGTAFLCZ-LLVKDONJSA-N	294.351	1.894	10	20	CDCD	
COC[C@H]1CCN(Cc2cc(OC)ccc2O)C1	211400588	XPPZYGRDRRWSEA-NSHDSACASA-N	251.326	1.869	10	20	CDCD	
C[C@@H](NCC(=O)NCC1CC1)c1ccc(F)c(F)c1O	187908942	SLPFXDZAFDBTRH-MRVPVSSYSA-N	284.306	1.847	10	20	CDCD	
CN1CCCc2cc(CNC(=O)C3=COCCO3)ccc21	194921908	UQEDUDAZOPSUMF-UHFFFAOYSA-N	288.347	1.573	10	20	CDCD	
C[C@@H](C(=O)NC1CC1)N1CCOc2cc(N(C)C)ccc21	130415143	LOWTZVCVGJVLAG-NSHDSACASA-N	289.379	1.619	10	20	CDCD	
Nc1ccc(CC(=O)N[C@H]2COc3ccccc3C2)cc1	237916522	WFHILBGUXLMHMA-OAHLLOKOSA-N	282.343	1.931	10	20	CDCD	
OC[C@@H](C[C@H](O)c1ccccc1)NCc1ccccc1O	269892509	CQYRFCGLUQMLLN-WBVHZDCISA-N	287.359	1.966	10	20	CDCD	
Nc1ccc(CCNC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2N)cc1	262569836	BSJARUYRWAEBGK-NZBPQXDJSA-N	273.380	1.301	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)[C@@H]1C[C@@]12CCOC2	364929577	ARVSCMCBBBHBOF-IINYFYTJSA-N	263.293	1.141	10	20	CDCD	
CO[C@@](C)(C(=O)NCCc1ccc(O)c(O)c1)C1CC1	291942983	POSZAVOMVASHOG-OAHLLOKOSA-N	279.336	1.572	10	20	CDCD	
CC[C@@H](C(=O)N1CCOc2cc(N(C)C)ccc21)N(C)C	298663273	SYQBODPYQKVBRN-ZDUSSCGKSA-N	291.395	1.818	10	20	CDCD	
COC[C@H](O)CNCc1c(O)ccc(Cl)c1F	801733025	JTYGSAMEOFRQMI-SSDOTTSWSA-N	263.696	1.282	10	20	CDCD	
CC1(C)C[C@H](NC(=O)c2c(F)ccc(O)c2O)CCO1	296639929	WMRJHQMLZYNBEA-MRVPVSSYSA-N	283.299	1.924	10	20	CDCD	
OC[C@]1(F)CCN(Cc2cc(Cl)ccc2O)C1	802660256	GJBIQDIPXJWJMU-LBPRGKRZSA-N	259.708	1.952	10	20	CDCD	
C[C@@H](N[C@H]1CCCNC1=O)c1ccc(F)c(F)c1O	296510569	PMFGIVJRCMBEMA-XCBNKYQSSA-N	270.279	1.600	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N[C@@H]2CC[C@H]2O)cc1	818105242	ZCTZOMTZIAIZHE-CHWSQXEVSA-N	263.341	1.075	10	20	CDCD	
CCOCC[C@H](O)CNCc1ccc(N(C)C)cc1C	819077844	PEEQZEJJVRJFTA-INIZCTEOSA-N	280.412	1.938	10	20	CDCD	
COc1cccc(O)c1CN(C)Cc1nnc(C)o1	827039311	OCXQLIWVOFHTJV-UHFFFAOYSA-N	263.297	1.724	10	20	CDCD	
Nc1cnc(C(=O)NCc2ccc(N3CCCC3)cc2)cn1	827004655	MANKHAFEDASGLU-UHFFFAOYSA-N	297.362	1.589	10	20	CDCD	
CC1CCN(CCNC(=O)c2cc(O)cs2)CC1	731869812	OJJZYCWKCNTUJU-UHFFFAOYSA-N	268.382	1.915	10	20	CDCD	
CCN1C[C@@H](CNC(=O)c2ccc(C)c(O)c2O)CC1=O	846461956	FNIAUANKMLSJOT-SNVBAGLBSA-N	292.335	1.004	10	20	CDCD	
Nc1ccc(CCNC(=O)NCCC[C@H]2CCOC2)cc1	841912854	BGDJXKZCMBISBK-AWEZNQCLSA-N	291.395	1.927	10	20	CDCD	
C[C@@H]1C[C@@H](NCc2ccc(N3CCOCC3)c(F)c2)CO1	842669792	CVOUONCAZFAWCH-TZMCWYRMSA-N	294.370	1.929	10	20	CDCD	
C[C@H]1CCN(C(=O)C(=O)Nc2ccc(N)cc2)C[C@@H]1C	841081147	VQCZSYAAVJVBMD-QWRGUYRKSA-N	275.352	1.712	10	20	CDCD	
COc1cccc([C@H](C)NC[C@@H]2CCS(=O)(=O)C2)c1O	846137636	VGFXOSNGYDPMBP-QWRGUYRKSA-N	299.392	1.486	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@H](C)CCCN)c1	842000534	WWUWQMZSRFETEY-MNOVXSKESA-N	295.383	1.888	10	20	CDCD	
CNC[C@H](C)NC(=O)NCc1ccc(N(C)C)c(F)c1	851657397	ZRQLKYGVXJXRRG-JTQLQIEISA-N	282.363	1.299	10	20	CDCD	
COc1ccc(CNC(=O)[C@]2(C(=O)O)CC2(C)C)c(O)c1	852942339	HZFZQNZUXUFDRL-HNNXBMFYSA-N	293.319	1.518	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)N[C@H]2CCCCNC2=O)c1	858163195	AXKOQDZYGMVNJC-LBPRGKRZSA-N	291.351	1.169	10	20	CDCD	
CC[C@](C)(O)C(=O)NCc1ccc(OC)cc1O	935770579	GMJZEHSZNLAEHO-ZDUSSCGKSA-N	253.298	1.178	10	20	CDCD	
C[C@H]1CCN(C(=O)c2cc(O)cs2)CC[S@@]1=O	760922586	RMJVTUJBTLVCTG-QPFGOUBPSA-N	273.379	1.437	10	20	CDCD	
Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CC(O)C1	860015471	RPQALPDJHBBSEV-UHFFFAOYSA-N	298.342	1.723	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2cncnc2)c1	760919696	WSWWYOOWDCVIDF-UHFFFAOYSA-N	259.265	1.121	10	20	CDCD	
CCNC(=O)N1CC[C@@H](NCc2c(C)cccc2O)C1	877085575	KRQMZBFNCKVEKT-GFCCVEGCSA-N	277.368	1.594	10	20	CDCD	
CCN1C[C@H](CNCc2c(C)cccc2O)CC1=O	877613961	STZUYWKQLQQCFE-LBPRGKRZSA-N	262.353	1.659	10	20	CDCD	
CN(C(=O)c1cnn([C@@H]2CCCNC2)c1)c1ccc(N)cc1	877075256	BJDANLVZFBZONE-OAHLLOKOSA-N	299.378	1.666	10	20	CDCD	
COc1ccc(O)c(CN2CCC(OCCO)CC2)c1	775731674	JNUAUHJVLHVXDA-UHFFFAOYSA-N	281.352	1.374	10	20	CDCD	
CCNC(=O)NC(=O)CN[C@H](C)c1ccc(N(C)C)cc1	775835568	VAIKWIFHHFQDNJ-LLVKDONJSA-N	292.383	1.249	10	20	CDCD	
COC(=O)N(C)CC(=O)N[C@H](C)c1ccc(N(C)C)cc1	773000207	NWCHFWRJTKREAG-LLVKDONJSA-N	293.367	1.628	10	20	CDCD	
C[C@@H](NCC1(CC(N)=O)CC1)c1c(O)cccc1F	886628678	YUMGUTBARBNSQQ-SECBINFHSA-N	266.316	1.838	10	20	CDCD	
COC[C@H](C)C(=O)NCCNCc1ccc(OC)c(C)c1	1124758833	ANKAHWYGTWFZNV-ZDUSSCGKSA-N	294.395	1.492	10	20	CDCD	
O=C1CCCN1C1CN(Cc2cc(Cl)ccc2O)C1	897786739	XSTJYUKOJXCNLK-UHFFFAOYSA-N	280.755	1.852	10	20	CDCD	
COc1ccc(CNC(=O)C[C@](C)(O)C2CC2)c(O)c1	794374927	ZMIUWXXIQCUOMT-HNNXBMFYSA-N	279.336	1.568	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)CC2OCCCO2)c1	793689486	NCSFQNOSZHFTMO-JTQLQIEISA-N	295.335	1.731	10	20	CDCD	
CC(C)(C)NC(=O)CCNC(=O)Cc1ccc(N)cc1	135277573	OXBMTDLBELQITE-UHFFFAOYSA-N	277.368	1.232	10	20	CDCD	
[N-]=[N+]=NCc1ccc(C(=O)NC[C@H]2CCCO2)o1	1537962533	MBDGTLVBGVOJFX-MRVPVSSYSA-N	250.258	1.999	10	20	CDCD	
CN(C)CCNCc1cccc(Br)c1O	42411479	YQOOOANROHKLTM-UHFFFAOYSA-N	273.174	1.806	10	20	CDCD	
COc1ccc(CNCC2(C)COC2)c(O)c1OC	1336716379	JDFZQBPPNUUZQW-UHFFFAOYSA-N	267.325	1.536	10	20	CDCD	
CN(C)c1cc(F)c(CNCc2ncn(C)n2)cc1F	1331503643	KGYFZRHXMSFMRQ-UHFFFAOYSA-N	281.310	1.449	10	20	CDCD	
C[C@H]1CC(NC(=O)Cc2ccc(N)cc2)C[C@H](C)O1	694791997	XALJMEUNESUCCH-QWRGUYRKSA-N	262.353	1.884	10	20	CDCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@H]2N[C@@H]1CCOC[C@H]1O	1330697722	LEIJAVVZKPJLEM-FMCLSXCISA-N	277.364	1.988	10	20	CDCD	
CCn1ccnc1CNC(=O)c1cc(O)cs1	1347775214	IYNSFMTZWWCZIH-UHFFFAOYSA-N	251.311	1.600	10	20	CDCD	
COC(=O)c1cnc(SCC(=O)OC(C)C)s1	1344124079	FESKPGWWQBOLMT-UHFFFAOYSA-N	275.351	1.973	10	20	CDCD	
CO[C@@H]1CCOC[C@H]1NCc1ccc2c(c1)CCCO2	897889035	LUZJBJDOFGULPK-GDBMZVCRSA-N	277.364	1.905	10	20	CDCD	
Nc1ccc(CN[C@@H](C[C@H]2CCCO2)C(=O)O)cc1	1601216123	OSWVESUUPHRMBA-OLZOCXBDSA-N	264.325	1.381	10	20	CDCD	
Cc1cccc(CN[C@](C)(CCF)C(=O)O)c1O	1600531920	BKJAYOCLWUYZGQ-CYBMUJFWSA-N	255.289	1.993	10	20	CDCD	
C[C@@H](NCC1COC1)c1cc(C(=O)O)ccc1O	1604337264	FFIIAHBMWHRQIE-MRVPVSSYSA-N	251.282	1.387	10	20	CDCD	
C[C@@](CO)(NCc1cc(Cl)cc(Cl)c1O)C(=O)O	1604197347	XHKPBXBEANSSDH-NSHDSACASA-N	294.134	1.624	10	20	CDCD	
Cc1ccc(C(=O)OCc2oncc2C(=O)O)c(O)c1O	1600365637	SCTKMVSQNBBTGB-UHFFFAOYSA-N	293.231	1.449	10	20	CDCD	
C[C@@H](C(=O)O)N(C(=O)/C=C\c1ccc(O)c(O)c1)C1CC1	1602814158	GDYOYBOXNFNNOP-XGLGWPIMSA-N	291.303	1.575	10	20	CDCD	
C[C@H]1CN[C@H](C)CN1Cc1ccc(F)c(F)c1O	1576809260	RKGIMYTVSLOBBU-BDAKNGLRSA-N	256.296	1.853	10	20	CDCD	
COc1ccc(CN[C@@H](CC(C)C)C(=O)O)c(O)c1OC	1594095842	DYXPSLPLQZYKGL-NSHDSACASA-N	297.351	1.998	10	20	CDCD	
CC[C@H](NC[C@H](c1ccc(N(C)C)cc1)N(C)C)C(=O)O	1595290669	SARPRGBUHFCJAY-LSDHHAIUSA-N	293.411	1.808	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[C@@H]1CO	153849282	LOFGFXGGIZNBQZ-DUMNWFOQSA-N	263.293	1.094	10	20	CDCD	
CC(C)CNC(=O)CN[C@@H](C)c1cc(F)ccc1O	228693406	MIUXIIGGHJMVFP-JTQLQIEISA-N	268.332	1.954	10	20	CDCD	
COc1ccc(O)c(CNC[C@]2(OC)CCOC2)c1	126980164	HUYCUPGNBDLESY-CQSZACIVSA-N	267.325	1.296	10	20	CDCD	
CC(C)N1CC[C@H](CNC(=O)Cc2ccc(N)cc2)C1	40620420	MECQABBKHXLVDN-CQSZACIVSA-N	275.396	1.658	10	20	CDCD	
C[C@H]1CCCCN1S(=O)(=O)N(C)Cc1ccccc1O	269753308	APQOOQDPOOTBGL-LBPRGKRZSA-N	298.408	1.943	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NCCn2cccn2)c1	49074699	DSGJBHFLDVIZGB-LLVKDONJSA-N	261.325	1.948	10	20	CDCD	
CCCN(CC(N)=O)Cc1cc(F)cc(F)c1O	708382059	DQJXBLCOQVPHCF-UHFFFAOYSA-N	258.268	1.368	10	20	CDCD	
Cn1cnnc1[C@H]1CCCN1Cc1ccc(N)cc1	381935049	XRQSSODETUYBHH-CYBMUJFWSA-N	257.341	1.734	10	20	CDCD	
CNC(=O)CCCN[C@@H](C)c1ccc(N(C)C)cc1	398367307	MZQCKGXFBBSSAP-LBPRGKRZSA-N	263.385	1.929	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)CN(C)C)cc1F	109022425	ZTJUCAITXUELCT-UHFFFAOYSA-N	281.375	1.850	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CCC(N)CC2)c1O	50158313	XMIBBHDCGVZHJX-UHFFFAOYSA-N	266.316	1.657	10	20	CDCD	
COCC[C@](C)(O)CNCc1cc(C)c(C)cc1O	174401785	GRILUJUDZPNLAL-HNNXBMFYSA-N	267.369	1.886	10	20	CDCD	
CNC(=O)CCN(C)Cc1cc(C)c(C)cc1O	179409394	ZPJNKUHWKUXAKA-UHFFFAOYSA-N	250.342	1.577	10	20	CDCD	
CC(C)CN(CC(N)=O)Cc1ccc(N(C)C)c(F)c1	122324503	XDNBTDTYMYKJSD-UHFFFAOYSA-N	281.375	1.835	10	20	CDCD	
CCOC(=O)[C@H]1CCCN(C(=O)c2cccc(O)c2O)C1	126187173	YCESMGOACWTMJF-JTQLQIEISA-N	293.319	1.513	10	20	CDCD	
CCC(CC)N/C=C1/C(=O)NC(=S)N(CC(C)C)C1=O	120993828	JEMITNDMCLRMTM-XFFZJAGNSA-N	297.424	1.548	10	20	CDCD	
CCNS(=O)(=O)[C@H]1CCN(Cc2cccc(C)c2O)C1	181564145	WZEFGAWLCPBAGY-ZDUSSCGKSA-N	298.408	1.214	10	20	CDCD	
Cc1cc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)[nH]n1	183433463	RRLPJUGXKRJZSI-QMMMGPOBSA-N	275.308	1.490	10	20	CDCD	
CC[C@H](C)N/C=C1/C(=O)NC(=S)N(CC(C)C)C1=O	48402881	RKJUPTYCCUNJIW-LKJZUNMESA-N	283.397	1.158	10	20	CDCD	
Oc1cccc2c1[C@H](NC[C@H](O)C(F)(F)F)CC2	295778145	ARMIHTQVEFOXOY-SCZZXKLOSA-N	261.243	1.892	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NCCC(C)(C)O)cc1F	274914922	JVMFDNNCKMPXTE-UHFFFAOYSA-N	297.374	1.852	10	20	CDCD	
C[C@H](NC[C@H](O)c1cnn(C)c1)c1ccccc1O	272879865	QJWLOSXRTNEXMX-HZMBPMFUSA-N	261.325	1.510	10	20	CDCD	
COC[C@H](O)CN[C@H](C)c1ccc(C)c(C)c1O	273558568	HNCUWXHGSMCPAL-VXGBXAGGSA-N	253.342	1.667	10	20	CDCD	
COc1ccc(O)c(CN2CC[C@@H]3CCN(C)C[C@@H]32)c1	272587356	HHVLZHRCWVDHLO-WFASDCNBSA-N	276.380	1.927	10	20	CDCD	
CCOc1ccc(O)c(CNC[C@]2(O)CCO[C@@H]2C)c1	278750619	WGEZSXWWKBRLRT-IAQYHMDHSA-N	281.352	1.420	10	20	CDCD	
C[C@H]1C[C@H](N2CCCC2)CN1C(=O)c1cccc(O)c1O	288194395	CFOJFPXTXGIAFJ-RYUDHWBXSA-N	290.363	1.797	10	20	CDCD	
CC[C@H]1NCC[C@@H]1C(=O)NCCc1ccc(N)cc1	295322672	ZDELAMZRMYKOQI-UONOGXRCSA-N	261.369	1.316	10	20	CDCD	
COc1cc(O)c(CNCc2snnc2C)cc1OC	292731347	GGUROCRPQUMFID-UHFFFAOYSA-N	295.364	1.859	10	20	CDCD	
COc1cccc(CNC(=O)[C@@H]2CC2(F)F)c1O	295302477	RBPGJAFOYLLSBG-QMMMGPOBSA-N	257.236	1.672	10	20	CDCD	
C[C@@H](CC[S@@](C)=O)NC(=O)c1c(F)ccc(O)c1O	294804277	CDWXVCZHBHWGRX-ZDVLTJLQSA-N	289.328	1.124	10	20	CDCD	
CC(=O)C(=O)COc1c(F)c(F)cc(F)c1F	808012779	RUWQKUQPOJCADF-UHFFFAOYSA-N	250.147	1.780	10	20	CDCD	
CCOc1cccc(CN(C)C[C@H](O)C2CC2)c1O	809752942	XVQYSUFJFJSCTL-ZDUSSCGKSA-N	265.353	1.994	10	20	CDCD	
CCOc1ccc(O)c(CN2CC[C@](F)(CO)C2)c1	802660455	LVVOLBKGQKGSHA-CQSZACIVSA-N	269.316	1.697	10	20	CDCD	
CC(C)N(C)C[C@@H](C)NC(=O)c1cc(O)cs1	812310815	OYUQFDUTHCGRMX-SECBINFHSA-N	256.371	1.912	10	20	CDCD	
Cc1nnc2c(NCCc3ccc(O)c(O)c3)nccn12	811810776	BMOMPGPTDGVAKF-UHFFFAOYSA-N	285.307	1.499	10	20	CDCD	
CCn1cc(S(=O)(=O)Nc2ccc(O)cc2OC)cn1	901704986	XYLWYJWCFAPEHY-UHFFFAOYSA-N	297.336	1.418	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)c2nonc2C)c1	735858449	NEIVFRXVGCAKKD-ZETCQYMHSA-N	277.280	1.583	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H]1CCCC[C@H]1O	588408369	WVYDHJZNBUZFPK-WAIVJAFWSA-N	277.320	1.531	10	20	CDCD	
CC[C@@H]1CCN(C(=O)C(=O)Nc2ccc(N)cc2)C1	841062746	CQCYTIFPFRFOIX-SNVBAGLBSA-N	261.325	1.466	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNCC(=O)NCC1CC1	840938231	ZQQUIRGQSDHSHM-UHFFFAOYSA-N	275.396	1.677	10	20	CDCD	
COC(=O)N[C@@H](C)C(=O)NCc1cc(Cl)ccc1O	846473170	JZHJIOUTUOSDRI-ZETCQYMHSA-N	286.715	1.406	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN[C@@H](CO)[C@H]1CCCOC1	840964250	VIEPOXBNNURQAI-RDJZCZTQSA-N	292.423	1.938	10	20	CDCD	
CC1(C)[C@H]2CN(C(=O)C(=O)Nc3ccc(N)cc3)C[C@@H]21	841051878	SFMFYVAHCYOUCG-RYUDHWBXSA-N	273.336	1.322	10	20	CDCD	
CC[C@@H](O)CCCNC(=O)NCCc1ccc(N)cc1	841954514	MZXADIGDKSOHCC-CQSZACIVSA-N	279.384	1.662	10	20	CDCD	
COC[C@@H](O)CN(C)CCN(C)c1ccc(OC)cc1	844400352	ANCDDVCJWXNTSW-AWEZNQCLSA-N	282.384	1.071	10	20	CDCD	
N[C@@H]1CCN(Cc2ccc(N3CCOCC3)c(F)c2)C1	843045450	RBIDFZQTNIPKNH-CYBMUJFWSA-N	279.359	1.195	10	20	CDCD	
C[C@@H]1CCN1C(=O)NCc1ccc(N2CCOCC2)cc1	920044398	UOCTUJVKAMKXRG-CYBMUJFWSA-N	289.379	1.827	10	20	CDCD	
CCN(CC)c1ccc(CN(C)C[C@H](O)CO)cc1	929183853	GKLCLGDPZFZPDG-HNNXBMFYSA-N	266.385	1.318	10	20	CDCD	
Cc1nccnc1C(=O)NCc1ccc(N(C)C)cc1	854272098	YNZCCRGWYUIGSW-UHFFFAOYSA-N	270.336	1.781	10	20	CDCD	
COc1ccc(N2CC[C@H](NC(=O)[C@H](C)C(=O)O)C2)cc1	851695603	GRIHRTIKJVFJCK-QWRGUYRKSA-N	292.335	1.111	10	20	CDCD	
Cc1ccc([C@@H](C)N[C@@H](C)CC(N)=O)c(O)c1C	756662263	ZNHIRPAPSPTUMK-GXSJLCMTSA-N	250.342	1.924	10	20	CDCD	
CC[C@@](C)(O)C(=O)N[C@H](C)c1cc(OC)ccc1O	934940102	HYCXHMSHSWLMSY-YMTOWFKASA-N	267.325	1.739	10	20	CDCD	
Nc1ccc(CCNC(=O)CC[C@@H]2CCCNC2)cc1	856997835	FLEXXHQOTMNAPO-AWEZNQCLSA-N	275.396	1.707	10	20	CDCD	
C[C@H](NCc1cnon1)c1ccc(N2CCOCC2)cc1	851899149	YPOUWZVIASOMNZ-LBPRGKRZSA-N	288.351	1.757	10	20	CDCD	
CN(C)c1cc(F)c(CN2CC[C@@](C)(C(N)=O)C2)cc1F	862353759	ZCATXEYDQZXKDU-OAHLLOKOSA-N	297.349	1.728	10	20	CDCD	
Cc1cc(O)c(CN2CCC(OCCO)CC2)cc1C	769538078	RBWRXEIFTHEOSP-UHFFFAOYSA-N	279.380	1.982	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)N[C@H]2C[C@@H](CO)C2)c1	866416345	SQVPTAUCBHEQEE-FOGDFJRCSA-N	279.336	1.600	10	20	CDCD	
CNC(=O)[C@@H]1CCCCN1Cc1ccc(C)cc1O	876584397	WIELGBQPBZXAJK-ZDUSSCGKSA-N	262.353	1.801	10	20	CDCD	
CNC(=O)[C@@H]1CCC[C@@H]1NCc1ccc2c(c1)CCO2	765797074	PJFNSSOZOYUJNX-KGLIPLIRSA-N	274.364	1.626	10	20	CDCD	
CONC(=O)C1CCN(Cc2c(C)cccc2O)CC1	877786205	YWTPATHBWJLCQF-UHFFFAOYSA-N	278.352	1.590	10	20	CDCD	
COc1ncc(/C=C\C(=O)N2CCc3ncccc32)cn1	773857443	KILLHKOVNXMEJB-PLNGDYQASA-N	282.303	1.483	10	20	CDCD	
Cc1ccc(C(=O)N2CCCC[C@H]2CO)c(O)c1O	1116516485	HFMFBFURFCYSSX-JTQLQIEISA-N	265.309	1.393	10	20	CDCD	
C[C@H](OC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)NC1CC1	772774332	IEHZCZPFEIKRSQ-XGLGWPIMSA-N	291.303	1.321	10	20	CDCD	
C[C@@H](CNC(=O)NCc1cc(Cl)ccc1O)C(=O)O	1121841673	XXRPSKQBZUAITJ-ZETCQYMHSA-N	286.715	1.566	10	20	CDCD	
C[C@H]1CN(CCN[C@@H](C)c2c(O)cccc2F)CCO1	886524829	RWLCZWBVRFKWIU-RYUDHWBXSA-N	282.359	1.903	10	20	CDCD	
C[C@@H]1CN(C)C(=O)CN1Cc1cc(Cl)cc(F)c1O	783732412	DQOGSHMPHYCQSY-MRVPVSSYSA-N	286.734	1.847	10	20	CDCD	
C[C@H]1CN(CC(C)(C)O)CCN1C(=O)c1cc(O)cs1	782014183	RIAGHNHLMUNUNK-JTQLQIEISA-N	298.408	1.371	10	20	CDCD	
COc1cc(C)cc(CN(C)[C@]2(CO)CCOC2)c1O	895386298	XADAQHHZUQFZID-HNNXBMFYSA-N	281.352	1.292	10	20	CDCD	
CCO[C@@H]1COCC[C@@H]1NCc1cc(C)cc(OC)c1O	894461575	IEYXKZIJCXDXJI-DZGCQCFKSA-N	295.379	1.993	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@@H]2CCN2C(C)(C)C)c1	896360517	DZSWMPYFSGNBOK-ZDUSSCGKSA-N	292.379	1.890	10	20	CDCD	
Oc1ccc(F)cc1CNCCO[C@H]1CCOC1	897202699	WOFGFZNQKUITRU-LBPRGKRZSA-N	255.289	1.426	10	20	CDCD	
O=C1NCCC[C@H]1CNCc1ccc(N2CCCC2)cc1	1328221185	QYKFDEFDIXUQAN-HNNXBMFYSA-N	287.407	1.903	10	20	CDCD	
Cc1ccc(O)c(CN(C)[C@H](C)C[S@](C)=O)c1	187825162	ITYJSZBQVGCJNQ-DIFFPNOSSA-N	255.383	1.899	10	20	CDCD	
Oc1cc2c(cc1CN1C[C@H]3CC[C@H]1[C@H](O)C3)[C@@H](O)CO2	1333848084	VWDVCPDFMGURGS-GGZSPTBLSA-N	291.347	1.163	10	20	CDCD	
COC(=O)CC1CC(NC(=O)NCc2ccc(N)cc2)C1	1346648712	OMPZZKMZEIPWRL-UHFFFAOYSA-N	291.351	1.410	10	20	CDCD	
CC(C)(C)CN(CCO)C(=O)NCc1ccc(N)cc1	1357791063	IRGDPYDJSCJTQG-UHFFFAOYSA-N	279.384	1.819	10	20	CDCD	
CC[C@@H](CNC(=O)c1c(F)ccc(O)c1O)C(=O)O	1603566894	ISBACNBMFPWWAL-LURJTMIESA-N	271.244	1.078	10	20	CDCD	
O=C(O)C[C@@]1(NCc2cc(F)ccc2O)CCOC1	1601936047	GUUHIRQCJCNNMY-ZDUSSCGKSA-N	269.272	1.255	10	20	CDCD	
Cc1cc(O)c(CN2C[C@@H](C(=O)O)C[C@@H](O)C2)cc1C	1600286603	RQCRZGZYDLKNOH-QWHCGFSZSA-N	279.336	1.276	10	20	CDCD	
O=C(O)C1CC(NCc2ccc(F)c(F)c2O)C1	1601760100	AAZMZCMPVYMYHN-UHFFFAOYSA-N	257.236	1.623	10	20	CDCD	
CN(C(=O)/C=C\c1ccc(O)c(O)c1)C(C)(C)CC(=O)O	1610089512	UKJLXQROCYICJY-ALCCZGGFSA-N	293.319	1.823	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCN[C@@H]2C[C@@H]21	1579617335	NUAJHXFCDRVNCY-CABCVRRESA-N	288.395	1.317	10	20	CDCD	
C[C@H](C(N)=O)N(C)Cc1ccc(N2CCCCC2)cc1	15571603	SMGUKKMMOVYFQL-CYBMUJFWSA-N	275.396	1.983	10	20	CDCD	
O=S(=O)(NCc1ccccc1O)c1cccs1	158583205	PBMXIHGOLIAXED-UHFFFAOYSA-N	269.347	1.932	10	20	CDCD	
CCn1cc(C(=O)NCc2ccc(N)cc2)c(C)n1	859593347	DYBPIAFKIAYEGT-UHFFFAOYSA-N	258.325	1.724	10	20	CDCD	
O=S1(=O)CCC[C@@H](CNCc2ccccc2O)C1	808427607	YHOASCSWQVEVMA-NSHDSACASA-N	269.366	1.307	10	20	CDCD	
Cc1noc(C)c1CC(=O)NCc1ccc(N)cc1	159380135	FHBYGMZZQYLOND-UHFFFAOYSA-N	259.309	1.733	10	20	CDCD	
O=C(O)C[C@H]1CCCN1Cc1cc(F)ccc1O	300437164	SPZNESFMTNUPLB-LLVKDONJSA-N	253.273	1.970	10	20	CDCD	
CNC(=O)C[C@H](C)N[C@H](C)c1ccc(N(C)C)cc1	323076466	XUJGZYQZDYNCPR-NWDGAFQWSA-N	263.385	1.928	10	20	CDCD	
CC(C)(C)n1nnc(CNCc2ccccc2O)n1	690621440	JASMAOYEZPUOPP-UHFFFAOYSA-N	261.329	1.424	10	20	CDCD	
COC[C@@](C)(O)CNCc1cc(Cl)cc(OC)c1O	382546715	DJRJMOHSTYOYEQ-ZDUSSCGKSA-N	289.759	1.541	10	20	CDCD	
C[C@@H]1CC[C@H](C(=O)O)CN1C(=O)Cc1ccc(N)cc1	397071680	MHNUXCILEXOGKJ-PWSUYJOCSA-N	276.336	1.523	10	20	CDCD	
NC[C@H]1CN(Cc2cc(F)ccc2O)CCCO1	313345636	RFNLDCLHYCNXBY-LBPRGKRZSA-N	254.305	1.081	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CCn2cncn2)cc1F	123464818	BNVVQCWWOBANAL-UHFFFAOYSA-N	291.330	1.190	10	20	CDCD	
Cn1ncc(C(=O)NCc2ccc(N3CCCC3)cc2)c1N	183458358	XUAGZJPYDDOEOL-UHFFFAOYSA-N	299.378	1.533	10	20	CDCD	
CN(CCCn1ccnc1)Cc1cc2c(cc1O)OCO2	130627373	KSAPBIZIOSHCAZ-UHFFFAOYSA-N	289.335	1.840	10	20	CDCD	
CN(C)c1ccc(CN[C@@H]2[C@@H]3C[C@H]4[C@H](CN[C@H]42)C3)cc1	381306124	OITSLYAJKJYMNF-XSIBGMEISA-N	271.408	1.839	10	20	CDCD	
CCNC(=O)CNCc1cc(Cl)cc(OC)c1O	228677089	WMVJCGBSPXVLPG-UHFFFAOYSA-N	272.732	1.280	10	20	CDCD	
CCOc1ccc(O)c(CNC2(CO)CCOCC2)c1	265240529	LEAANZMPUPWJCL-UHFFFAOYSA-N	281.352	1.422	10	20	CDCD	
CCN(C)C[C@H]1CCN(C(=O)c2c(F)ccc(O)c2O)C1	276554940	ILLNPBQFWHMHDY-SNVBAGLBSA-N	296.342	1.651	10	20	CDCD	
CN(C)c1ccc(CN2CC(=O)N(C3CC3)C2)cc1	279142436	NYYZSTDCOGORAS-UHFFFAOYSA-N	259.353	1.517	10	20	CDCD	
Oc1cccc(Cl)c1CNCCN1CCCOCC1	289388372	DMJKKXNAMPBQQI-UHFFFAOYSA-N	284.787	1.858	10	20	CDCD	
CO[C@@H](C(=O)N(C)Cc1ccccc1O)c1cnn(C)c1	282926408	YCTIEABQWCUOMW-CQSZACIVSA-N	289.335	1.472	10	20	CDCD	
CCCOc1ccc(CN[C@H]2C[C@@H](O)C2)c(O)c1	294721091	AWSWOUZRJJEYQQ-TXEJJXNPSA-N	251.326	1.794	10	20	CDCD	
COCCOCCN(C)Cc1cc(OC)c(C)cc1O	808237690	BTZXPUZMDHSPDF-UHFFFAOYSA-N	283.368	1.804	10	20	CDCD	
C[C@@H](C(=O)O)N(C)Cc1ccc(N(C)C)c(F)c1	819895517	MATGTEVCZJVDLT-VIFPVBQESA-N	254.305	1.797	10	20	CDCD	
Cc1ccc([C@@H](C)NC[C@@H]2CNCCO2)c(O)c1	817983789	QLJZZUACPGRDIP-NEPJUHHUSA-N	250.342	1.340	10	20	CDCD	
Oc1ccc(CCNc2ncccc2-c2nn[nH]n2)cc1O	823726489	ADVBEFHCEOAYQV-UHFFFAOYSA-N	298.306	1.328	10	20	CDCD	
Cc1cc(O)c(CNCC(=O)NC(C)C)cc1Cl	825037424	BOJYBEYUEMTVSJ-UHFFFAOYSA-N	270.760	1.968	10	20	CDCD	
CCC(=O)C1(C(=O)NCc2cccc(OC)c2O)CC1	825702604	CWNBHYIHSZUJQK-UHFFFAOYSA-N	277.320	1.776	10	20	CDCD	
CCOC(=O)CN(Cc1ccccc1O)C[C@@H](C)O	823576039	HDPVQBOXZKLHMB-LLVKDONJSA-N	267.325	1.138	10	20	CDCD	
CN1CCN(c2ccc(CN(C)C3(CO)CC3)cc2)CC1	827903596	LGXRBABGHJVQNN-UHFFFAOYSA-N	289.423	1.395	10	20	CDCD	
CCOc1ccc(N(C)CC(=O)N2CCO[C@H](C)C2)cc1	739923485	GUXJWCLMAXBHBW-CYBMUJFWSA-N	292.379	1.769	10	20	CDCD	
Cc1ccc(C(=O)N2C[C@@H]3[C@H]4C=C[C@@H](O4)[C@H]3C2)c(O)c1O	836840880	IDDWWMGNJZMIHC-WUHRBBMRSA-N	287.315	1.432	10	20	CDCD	
O=C(COC(=O)c1cc(O)cs1)c1ccc[nH]1	731911926	NQGZSXFNADSXNW-UHFFFAOYSA-N	251.263	1.822	10	20	CDCD	
O=C(NCc1ccccc1O)NCC1(C(=O)O)CCC1	738501151	NHWUDMPXIMRHCK-UHFFFAOYSA-N	278.308	1.446	10	20	CDCD	
O=C(c1cc(O)cs1)N1CC[C@H](N2CCCC2)C1	732284306	ODWADEPMUYTGRQ-JTQLQIEISA-N	266.366	1.764	10	20	CDCD	
O=C(O)[C@@H]1C[C@H]1C(=O)NCCCSc1nccs1	739546416	DZJONEZUKIJQFT-HTQZYQBOSA-N	286.378	1.462	10	20	CDCD	
CCOCCOCCNC(=O)NCc1ccccc1O	915524822	JWCJWLHVGIGGKL-UHFFFAOYSA-N	282.340	1.245	10	20	CDCD	
CCCN1CC(=O)N[C@H]1c1cccc(Cl)c1O	840824407	LCFDSLCBWVLUGS-GFCCVEGCSA-N	254.717	1.886	10	20	CDCD	
C[C@@H]1COCC[C@@H]1CNC(=O)NCCc1ccc(N)cc1	841903613	YLGLFGHZYIBKTI-TZMCWYRMSA-N	291.395	1.783	10	20	CDCD	
COc1ccc(CNC(=O)[C@@H](N)C(C)(C)C)c(O)c1	843499426	GZMYRHOHYRYVHJ-GFCCVEGCSA-N	266.341	1.390	10	20	CDCD	
CN(C)c1ccc([C@@H](N)CNCc2cnc(N)s2)cc1	843126698	UNXMJYVYODGNOI-ZDUSSCGKSA-N	291.424	1.581	10	20	CDCD	
C[C@@H](C(=O)N[C@H](C)c1ccccc1O)S(C)(=O)=O	827930580	LPUJERPFCUYFSW-BDAKNGLRSA-N	271.338	1.003	10	20	CDCD	
O=C(CSc1ncc(Cl)s1)NC(=O)NC1CC1	849998224	LOCBEAHNKZNDKH-UHFFFAOYSA-N	291.785	1.877	10	20	CDCD	
COc1ccc(O)c(CNCC2(C)CCNCC2)c1	841056152	CXTZYSGQYVQZKQ-UHFFFAOYSA-N	264.369	1.880	10	20	CDCD	
C[C@@H](O)[C@@H](O)CN(Cc1ccc(N(C)C)cc1)C1CC1	929294523	DYUZOSXZCFFSOM-WBMJQRKESA-N	278.396	1.459	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2cnco2)c1	760131712	AJMRKUINLRFITJ-MRVPVSSYSA-N	262.265	1.880	10	20	CDCD	
COc1ccc(CN[C@@H]2COCCC2(OC)OC)cc1C	931677716	WQNUVHJTHWUQBW-OAHLLOKOSA-N	295.379	1.871	10	20	CDCD	
CC(C)CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(N)cc1	861514788	KVTHYHFPXJDOJQ-ZDUSSCGKSA-N	293.367	1.121	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@H]2CCN(C)C(=O)C2)c1	862759785	LKVGBFMFOFSMJN-NSHDSACASA-N	276.336	1.185	10	20	CDCD	
CCOc1ccc(O)c(CN2CCCNC(=O)C2)c1	769115071	NIKXLMOAVZUBGS-UHFFFAOYSA-N	264.325	1.113	10	20	CDCD	
CC[C@H](NCc1ccc(N2CCN(C)CC2)cc1)C(=O)O	1118241752	MWGJFGIHCRJJMY-HNNXBMFYSA-N	291.395	1.391	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccn(C)n1	773755941	HZHYGECMEARYEX-SECBINFHSA-N	275.308	1.192	10	20	CDCD	
CCN(C)c1ccc(CN(C)CC(=O)NC2CC2)cc1	773733511	WZTHYRXIWVMDIG-UHFFFAOYSA-N	275.396	1.853	10	20	CDCD	
C[C@@H](NC[C@H]1COCCO1)c1c(O)cccc1F	886507573	QIOXIIIEXMQLIN-ZJUUUORDSA-N	255.289	1.597	10	20	CDCD	
COC(=O)[C@H](CC(F)F)NCc1ccc2c(c1)CCO2	789578596	CINFFIVNFKUJMH-NSHDSACASA-N	285.290	1.908	10	20	CDCD	
CCCCCN(CC(N)=O)C(=O)c1cc(O)cs1	780783151	XTJFXNRTRVAHDW-UHFFFAOYSA-N	270.354	1.571	10	20	CDCD	
COc1cc(C)cc(CNC[C@@H]2COCCO2)c1O	894197637	ZZVZOPWZEYSJSE-GFCCVEGCSA-N	267.325	1.214	10	20	CDCD	
COc1ccc(CNC(=O)CCn2cccn2)c(O)c1	794383418	MPTDCILLVCXKIS-UHFFFAOYSA-N	275.308	1.304	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1cnnn1C	798850322	NRCVXIJVRSCODB-UHFFFAOYSA-N	273.340	1.153	10	20	CDCD	
C[C@@H](O)CC(C)(C)CNC(=O)c1cccc(O)c1O	187124966	FJFNKHMDKJZCEI-SECBINFHSA-N	267.325	1.625	10	20	CDCD	
COc1cc(O)c(CN[C@@H](C)c2noc(C)n2)cc1OC	1329850098	ODMXTQDOAMQEMJ-QMMMGPOBSA-N	293.323	1.952	10	20	CDCD	
COC(=O)CN(Cc1cc2c(cc1O)OCO2)CC(C)C	1323323757	RGWCYTXFGHFLIB-UHFFFAOYSA-N	295.335	1.752	10	20	CDCD	
C[C@@H]1CCCN(C(=O)Cc2ccc(N)cc2)[C@@H]1CO	688615458	GXYQCNKHQKCXTP-BXUZGUMPSA-N	262.353	1.431	10	20	CDCD	
C[C@H](O)C[C@@H](C)CNC(=O)NCc1ccc(N)cc1	1337019973	WSJMIWLSFQRTFL-MNOVXSKESA-N	265.357	1.475	10	20	CDCD	
O=C1OC[C@@H]2CN(Cc3c(O)cccc3Cl)CCN12	769484457	WQSOBRKNIVSFHW-VIFPVBQESA-N	282.727	1.682	10	20	CDCD	
COc1ccc(N2CCN(CC(OC)OC)CC2)cc1	90358647	WIRSPXMFSMAETA-UHFFFAOYSA-N	280.368	1.436	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2csc(CN)n2)cc1	90931434	UBWJYUAPNQWVAM-UHFFFAOYSA-N	290.392	1.598	10	20	CDCD	
CN(C)c1ccc(CN[C@]2(C(=O)O)CCOC2)cc1	789902915	SEIXPKJAFQETIN-CQSZACIVSA-N	264.325	1.086	10	20	CDCD	
CC1CCN(CCNC(=O)NCc2ccc(N)cc2)CC1	1336225455	OJTVCWAQJZECSL-UHFFFAOYSA-N	290.411	1.800	10	20	CDCD	
Nc1ccc(CN2CCC3(CC2)COC(=O)N3)cc1	1356082628	AAZIOEFNZLTRBH-UHFFFAOYSA-N	261.325	1.343	10	20	CDCD	
CC[C@H](NCCOC)c1cccc(-c2nn[nH]n2)c1O	1604052961	ADXZAULXJDLGGT-NSHDSACASA-N	277.328	1.259	10	20	CDCD	
COc1cc(C)c(CNC[C@H]2CNCCCO2)c(O)c1	1579144381	CUCZUPLJOJIMNW-CYBMUJFWSA-N	280.368	1.177	10	20	CDCD	
C[C@H](NC1CC=CC1)c1cccc(-c2nn[nH]n2)c1O	1589953543	DBWMIKCGCWRNGD-VIFPVBQESA-N	271.324	1.942	10	20	CDCD	
CCOc1cccc(CN[C@H]2CCOC2=O)c1O	19876359	OVRORLJELUVBHQ-JTQLQIEISA-N	251.282	1.196	10	20	CDCD	
COc1ccc(O)c([C@H](C)N[C@H](C)CC(N)=O)c1	168828896	GVEGHMYVEIYNDE-BDAKNGLRSA-N	252.314	1.315	10	20	CDCD	
CCCCOC(=O)CNC(=O)Cc1ccc(N)cc1	156911296	FFCHYEZQGOAPSK-UHFFFAOYSA-N	264.325	1.271	10	20	CDCD	
Cc1cccc(C(=O)NCc2ccc(O)c(O)c2)n1	159010947	NMRCDJNAQYHONE-UHFFFAOYSA-N	258.277	1.731	10	20	CDCD	
C[C@@H](O)[C@@H](CO)NCc1cc(Cl)cc(Cl)c1O	842220945	KVXMZICDDXHJHK-LHLIQPBNSA-N	280.151	1.530	10	20	CDCD	
COc1cccc(CN2CCC([C@@H](C)N)CC2)c1O	110643952	NBIWSWNLBCVQQM-LLVKDONJSA-N	264.369	1.960	10	20	CDCD	
COc1cc(Cl)cc(CNCc2nncn2C)c1O	228670999	CFNQUTJTDMJXOR-UHFFFAOYSA-N	282.731	1.473	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@@H]1CCCCS1(=O)=O	273210633	LKKJVWUVAGTGMX-ZDUSSCGKSA-N	297.376	1.318	10	20	CDCD	
C[C@@H](NCc1cc(F)cc(F)c1O)c1ncn(C)n1	708393764	IRMHVQHUFQEJGB-SSDOTTSWSA-N	268.267	1.650	10	20	CDCD	
C[C@@H](O)CN(C(=O)c1cccc(O)c1O)C1CC1	691372258	CYVKYANQHYYPIQ-MRVPVSSYSA-N	251.282	1.083	10	20	CDCD	
COc1ccc(O)c(CN[C@H](C)c2n[nH]c(C)n2)c1	392362336	CPPSJSJKROAHMD-MRVPVSSYSA-N	262.313	1.678	10	20	CDCD	
CCN(CC)C(=O)COC(=O)c1ccc(C)c(O)c1O	109999149	OXOFSMCFUZTFMQ-UHFFFAOYSA-N	281.308	1.431	10	20	CDCD	
CCCN(CCC(=O)NC(=O)NC)Cc1ccccc1O	171668208	MEVUZSKBXMXASD-UHFFFAOYSA-N	293.367	1.450	10	20	CDCD	
COc1ccc(O)c(CNCC(C)(C)N(C)C)c1	20126031	HBIFFBOAMQYYMG-UHFFFAOYSA-N	252.358	1.831	10	20	CDCD	
Cc1cccc(CN2C[C@H](CO)OC[C@H]2C)c1O	305800497	XDJKAQOXTQCHJW-DGCLKSJQSA-N	251.326	1.282	10	20	CDCD	
C[C@H](NC(=O)c1cccc(O)c1O)c1ccccn1	126254266	OEJKMMZKOUWRQC-VIFPVBQESA-N	258.277	1.984	10	20	CDCD	
CC1(O)CCN(C(=O)c2cccc(O)c2O)CC1	126494201	VBIASTZYJXNIGY-UHFFFAOYSA-N	251.282	1.085	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)[C@H]2CCCN2)cc1	79390481	JTJXUDDCBXVGQU-OAHLLOKOSA-N	275.396	1.901	10	20	CDCD	
Cn1cnnc1CNCc1cc(Br)ccc1O	227437215	OFBTZEYROMNJDU-UHFFFAOYSA-N	297.156	1.573	10	20	CDCD	
CCCN(CC(=O)NC)Cc1cc(C)ccc1O	133287689	AKZHEWOSGWNOSD-UHFFFAOYSA-N	250.342	1.659	10	20	CDCD	
Oc1cc2c(cc1CNC1CCN(C3CC3)CC1)OCO2	42880061	GOZNWLMGUJCHPC-UHFFFAOYSA-N	290.363	1.837	10	20	CDCD	
Cc1nnccc1C(=O)NCc1ccc(N(C)C)c(F)c1	269901949	HPRYFSKDBLHAHV-UHFFFAOYSA-N	288.326	1.920	10	20	CDCD	
CN1CCC(NC(=O)c2c(F)ccc(O)c2O)CC1	276501438	HWTGBBVOMKULTJ-UHFFFAOYSA-N	268.288	1.061	10	20	CDCD	
CC[C@@]1(CO)CCCN(C(=O)c2cccc(O)c2O)C1	280535948	SDIVUDJPFGOWBI-OAHLLOKOSA-N	279.336	1.723	10	20	CDCD	
C[C@H](CO)N(C)C(=O)NCc1ccc(N2CC=CC2)cc1	287392794	IOORDPHSERAHHD-CYBMUJFWSA-N	289.379	1.585	10	20	CDCD	
CC(=O)c1cc(F)cc(CN[C@@](C)(C(N)=O)C(C)C)c1O	289261386	DEGCQPUAVNMNNT-OAHLLOKOSA-N	296.342	1.724	10	20	CDCD	
CS[C@H]1CCN(C(=O)c2ccc(C)c(O)c2O)C1	297008420	SUYCCXLWIJADSE-VIFPVBQESA-N	267.350	1.984	10	20	CDCD	
O=C(O)CCCNCc1cc(Cl)cc([N+](=O)[O-])c1O	819460068	UBJVEPJOCOKZRM-UHFFFAOYSA-N	288.687	1.908	10	20	CDCD	
CCOC(=O)CN(Cc1ccccc1O)C(=O)C1CC1	819695296	YKOBXDUPPYYIKY-UHFFFAOYSA-N	277.320	1.694	10	20	CDCD	
COC[C@H](NCc1cc(Cl)c(C)cc1O)C(=O)OC	825666476	KVTHCEMAJSRUCM-NSHDSACASA-N	287.743	1.632	10	20	CDCD	
COc1cccc(CNC(=O)CC2(O)CCC2)c1O	825702781	FPUHWEOYJRERKP-UHFFFAOYSA-N	265.309	1.322	10	20	CDCD	
O=C(NCc1ccc(N2CCCC2)cc1)[C@@H](O)C1CC1	821841516	DJCZWEMRQVZZLE-HNNXBMFYSA-N	274.364	1.674	10	20	CDCD	
CCOC(=O)CN(CCC[C@H](C)O)Cc1ccccc1O	823576478	PKGUJHNURUYBFH-ZDUSSCGKSA-N	295.379	1.918	10	20	CDCD	
CC1(C)CNC(=O)[C@@H]1NCc1cc(Cl)c(F)cc1O	828304234	JKDOJFPPMJDOLR-NSHDSACASA-N	286.734	1.799	10	20	CDCD	
COc1cccc(CN2CC(C(C)(C)O)C2)c1O	839139991	MWJGROBCDMOEIF-UHFFFAOYSA-N	251.326	1.604	10	20	CDCD	
Cc1cnc(CCNCc2cc([N+](=O)[O-])ccc2O)cn1	835060379	CYLGXPCUTGXRRA-UHFFFAOYSA-N	288.307	1.731	10	20	CDCD	
CCO[C@H](C(=O)NCc1ccc(O)cc1O)C1CC1	910943303	MMKIODKURGFAKZ-ZDUSSCGKSA-N	265.309	1.529	10	20	CDCD	
C[C@@H](NC(=O)NCc1ccccc1O)c1nncn1C	748449808	ANGIIDYBVBRPOH-SECBINFHSA-N	275.312	1.081	10	20	CDCD	
COc1cccc([C@@H](C)NCCOCCN(C)C)c1O	846167061	SBQWMMHUEFMHQK-GFCCVEGCSA-N	282.384	1.630	10	20	CDCD	
Oc1ccccc1CN(C[C@H]1CCNC1)C[C@H]1CCCO1	843356397	MWEBEJLKGJITMZ-GOEBONIOSA-N	290.407	1.983	10	20	CDCD	
C[C@H](Sc1ncc(Cl)s1)C(=O)NC(N)=O	849997910	GVSHVDPMTHNZFL-VKHMYHEASA-N	265.747	1.472	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N2C[C@@H]3CNC[C@@H]3C2)cc1	841654091	MWBWIUOQHMBKBN-OKILXGFUSA-N	288.395	1.113	10	20	CDCD	
C[C@@H](NC[C@H](O)CN(C)C)c1cc(F)cc(F)c1O	756551827	AQBKVHOZUFDMMH-SCZZXKLOSA-N	274.311	1.244	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)NC[C@](C)(O)C2CC2)c1	756570594	WSCJUJRPTKFOKT-QFYYESIMSA-N	293.363	1.990	10	20	CDCD	
CCOc1ccc(CN(C)[C@H]2CCC(=O)N(C)C2)c(O)c1	862428632	STLXOTSAXHCMSI-ZDUSSCGKSA-N	292.379	1.844	10	20	CDCD	
CCOc1ccc(CN2CC[S@@](=O)C[C@@H](C)C2)c(O)c1	763650790	ZSUFWAZFAXNCCX-FKIZINRSSA-N	297.420	1.991	10	20	CDCD	
C[C@@H](NCCc1ccn(C)n1)c1cc([N+](=O)[O-])ccc1O	760895988	HDXYNLUKMRFHON-SNVBAGLBSA-N	290.323	1.927	10	20	CDCD	
CON(C)C(=O)[C@H](C)NCc1ccc(N(C)C)cc1C	862539234	KQHQSUDBCWLZIM-LBPRGKRZSA-N	279.384	1.559	10	20	CDCD	
Cc1cccc(CN[C@@H](CCO)C2CCOCC2)c1O	764680139	ZEUZGSPVEGNQEQ-HNNXBMFYSA-N	279.380	1.968	10	20	CDCD	
COc1ccc(N2CCN(c3ccc(F)nn3)CC2)cc1	865402988	KSOAARPXTUUZAI-UHFFFAOYSA-N	288.326	1.951	10	20	CDCD	
O=C(CSc1nccs1)Nc1cnccn1	766367842	AIILEDQEDFAEJA-UHFFFAOYSA-N	252.324	1.664	10	20	CDCD	
CN(C)c1cc(F)c(CN2CCCC[C@@H]2C(N)=O)cc1F	862212132	HDWNDFPHSRGVNP-CYBMUJFWSA-N	297.349	1.871	10	20	CDCD	
C[C@@H](NC(=O)NCCOCCF)c1ccccc1O	868792750	VRFQMHVILWOBOT-SNVBAGLBSA-N	270.304	1.739	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)C(=O)N1CC=CCC1	1117839262	PBTICFHSJFSCNK-UHFFFAOYSA-N	274.320	1.139	10	20	CDCD	
COc1cccc(O)c1CN[C@H](C)c1noc(C)n1	1117600705	MLYPPMOXJSSFHV-MRVPVSSYSA-N	263.297	1.943	10	20	CDCD	
COC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1	1119374211	SUZWVYYQKABBNM-UHFFFAOYSA-N	291.351	1.244	10	20	CDCD	
Cc1cc(NS(=O)(=O)N(C)CC2CC2)ccc1O	776748506	LYJJYBSJDHABBX-UHFFFAOYSA-N	270.354	1.699	10	20	CDCD	
CC[C@@H](NCc1ccc(N2CCC(O)CC2)cc1)[C@H](C)O	877568229	HXOJFPPIRMORDN-SUMWQHHRSA-N	292.423	1.897	10	20	CDCD	
O=C(NCc1ccccc1O)c1ccc([N+](=O)[O-])cc1O	773399705	YHQQKCNTFKAWDF-UHFFFAOYSA-N	288.259	1.936	10	20	CDCD	
C=CC(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1	1120552845	MSLSHTCAROHYIU-UHFFFAOYSA-N	291.370	1.770	10	20	CDCD	
CCn1cccc(CNCc2cccc(OC)c2O)c1=O	788524886	XUQDFTYEUGTELU-UHFFFAOYSA-N	288.347	1.872	10	20	CDCD	
CCOc1cc(O)ccc1NS(=O)(=O)C1CC1	790408671	FQJSFSWQGQNHDW-UHFFFAOYSA-N	257.311	1.695	10	20	CDCD	
CCCCN(CC(N)=O)Cc1cc(C)cc(OC)c1O	893962465	NYWNCUNCXKHCRK-UHFFFAOYSA-N	280.368	1.797	10	20	CDCD	
CO[C@@]1(C)CCCN(Cc2cc3c(cc2O)OC[C@@H]3O)C1	794649465	LHUMMPAFXKWLFS-HOCLYGCPSA-N	293.363	1.819	10	20	CDCD	
COc1ccc(CNC(=O)c2cnc3[nH]cnc3c2)c(O)c1	794387431	HWFPXHMIDFUWEF-UHFFFAOYSA-N	298.302	1.602	10	20	CDCD	
CC(C)CNCCNC(=O)c1ccc(N=NC(N)=O)cc1	1153037231	HZZHYAIMJMOOOO-UHFFFAOYSA-N	291.355	1.824	10	20	CDCD	
CN(C)[C@H]1CCC[C@@H](NC(=O)c2cccc(O)c2O)C1	185802678	UKXKOQKHHKBLMQ-MNOVXSKESA-N	278.352	1.700	10	20	CDCD	
COc1ccc(CNC(=O)[C@]2(F)CCOC2)c(O)c1	1329216995	NZEHZACYZOUUPB-ZDUSSCGKSA-N	269.272	1.146	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NCC2(N)CC2)cc1F	1353492842	NUHBWPZCPXJKFK-UHFFFAOYSA-N	280.347	1.182	10	20	CDCD	
Cn1ccc([C@H](NCc2cc(Cl)ccc2O)C(=O)O)n1	1608127090	SMRLHNUILMOWFP-LBPRGKRZSA-N	295.726	1.695	10	20	CDCD	
COc1ccc(O)c(CN[C@H](C[C@H]2CCCO2)C(=O)O)c1	1607277800	VOPGTPKIYKGKNX-CHWSQXEVSA-N	295.335	1.513	10	20	CDCD	
CCN1CCc2cc(CNCC(F)(F)C(=O)O)ccc21	1776877299	KLEHYNADXTYGOT-UHFFFAOYSA-N	284.306	1.879	10	20	CDCD	
CCNC(=O)CCCC(=O)NCCc1ccc(O)c(O)c1	156582617	DWWPRRCILKLAPE-UHFFFAOYSA-N	294.351	1.063	10	20	CDCD	
COc1cccc(CNC[C@H]2COC(C)(C)O2)c1O	230209026	ZYUAKFUDFXOLRN-NSHDSACASA-N	267.325	1.642	10	20	CDCD	
Cc1ccc([C@H](C)NC[C@@]2(O)CCO[C@H]2C)c(O)c1	278681550	GJMZUVSBLACKKG-HUBLWGQQSA-N	265.353	1.891	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NCc2noc(C)n2)c1	182366290	JUUBYQUBEBLDQB-MRVPVSSYSA-N	263.297	1.943	10	20	CDCD	
Oc1c(F)cc(F)cc1CNCCN1CCC(O)CC1	708453512	HXZHJIZLBYOYQD-UHFFFAOYSA-N	286.322	1.217	10	20	CDCD	
COc1ccc(O)c(CNS(=O)(=O)CCC(C)C)c1	119845534	IXNQMRGBLJPVDO-UHFFFAOYSA-N	287.381	1.866	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)CNC(=O)OCC	170731929	NUNYDWZZHOZJEN-UHFFFAOYSA-N	294.351	1.877	10	20	CDCD	
CN1CCCc2cc(CNC(=O)c3cn(C)cn3)ccc21	179212011	PWIPBEUVEMHOCN-UHFFFAOYSA-N	284.363	1.733	10	20	CDCD	
CC[C@@H](NC[C@H](O)CN(C)C)c1ccc(N(C)C)cc1	305114715	HLCZZOPJBYEDCK-JKSUJKDBSA-N	279.428	1.716	10	20	CDCD	
CC[C@@H](CO)NC(=O)NCc1ccc(N(C)C)cc1	31726635	VFFXMIFXORTMBC-LBPRGKRZSA-N	265.357	1.323	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)cc1	127019493	TYCYQBNQUBWXNE-KFWWJZLASA-N	289.379	1.872	10	20	CDCD	
CNC(=O)CC1CCN(Cc2cc(OC)ccc2O)CC1	180378860	MRAPFGZRRKPKIQ-UHFFFAOYSA-N	292.379	1.749	10	20	CDCD	
C[C@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)C[C@@H](C)O1	180581194	IBGLSXYEXFTKHA-UBTSRBCMSA-N	277.320	1.747	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccnc(F)c1	183434194	ZGEXGQZXCHWJTR-SECBINFHSA-N	290.294	1.993	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2coc(CN)c2)cc1F	188135959	OQYRVRXNYFEALP-UHFFFAOYSA-N	291.326	1.873	10	20	CDCD	
C[C@H](NC[C@@]1(O)CCO[C@@H]1C)c1ccccc1O	228062507	SIVNUPWJHPUDTH-WDMOLILDSA-N	251.326	1.583	10	20	CDCD	
CCS(=O)(=O)C1CCN(Cc2ccccc2O)CC1	195163372	WPPGFRJZDLWGAY-UHFFFAOYSA-N	283.393	1.791	10	20	CDCD	
COCCN1CCN(Cc2ccccc2O)CC1	179554889	PNHQEIXGAPTRNZ-UHFFFAOYSA-N	250.342	1.156	10	20	CDCD	
CCOC(=O)C1(NC(=O)Cc2ccc(N)cc2)CCCC1	237156405	WWPKQTIGUBDRGA-UHFFFAOYSA-N	290.363	1.803	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)CC(C)(C)N	237056444	BOBLHYZCURODKL-UHFFFAOYSA-N	263.385	1.805	10	20	CDCD	
CC(C)(C)C(=O)NCCC(=O)NCc1ccc(O)c(O)c1	269119092	TWIYIAXJELMVFA-UHFFFAOYSA-N	294.351	1.266	10	20	CDCD	
CCOC[C@H](O)CN(CC)c1ccc(OC)cc1	269668459	ZRZCPJGEZZWBTC-CYBMUJFWSA-N	253.342	1.919	10	20	CDCD	
CNS(=O)(=O)CCN[C@@H](C)c1ccc(C)c(C)c1O	275897315	MOYFLTWNRKGTQG-NSHDSACASA-N	286.397	1.209	10	20	CDCD	
CCOCCOC1CN(C(=O)c2ccc(C)c(O)c2O)C1	272892185	AVPRWMILMFWSKM-UHFFFAOYSA-N	295.335	1.284	10	20	CDCD	
COC(C)(C)CC(=O)NCc1ccc(O)c(O)c1	279963145	SZQKESGXICPOCS-UHFFFAOYSA-N	253.298	1.529	10	20	CDCD	
COCCCN(C)Cc1ccc([N+](=O)[O-])c(OC)c1O	278257273	QBHBPJHHPWYOCW-UHFFFAOYSA-N	284.312	1.777	10	20	CDCD	
Cc1ccc([C@@H](C)N[C@@H](C)C(=O)NCCF)c(O)c1	282489952	HQLDOZVVKANRTR-MNOVXSKESA-N	268.332	1.825	10	20	CDCD	
CC(C)c1nnc(CNC(=O)c2c(F)ccc(O)c2O)[nH]1	295511673	UFDIGJIVBIIZHR-UHFFFAOYSA-N	294.286	1.408	10	20	CDCD	
C[C@H](N[C@H]1C[C@@H](O)C1)c1ccc(N2CCOCC2)c(F)c1	295848959	DTRYDYYKFZMENX-FPMFFAJLSA-N	294.370	1.836	10	20	CDCD	
COC[C@@H](C)[C@H](C)C(=O)NCc1cc(OC)ccc1O	812510345	ZKHPKGHTCTZGRF-MNOVXSKESA-N	281.352	1.936	10	20	CDCD	
Nc1ccc(CCNC(=O)C2CCN(C3CC3)CC2)cc1	818545122	JWJFPBRQKZIFCH-UHFFFAOYSA-N	287.407	1.802	10	20	CDCD	
COc1cccc(CN2CCS(=O)(=O)CC2(C)C)c1O	813331633	OVSLBCWIGSRNGO-UHFFFAOYSA-N	299.392	1.410	10	20	CDCD	
COCCNCCN[C@H](C)c1ccc(F)cc1O	817964974	LSXNMHFXKSRROJ-SNVBAGLBSA-N	256.321	1.418	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)CCCCN	829764470	MEILQTQCNQNDJB-UHFFFAOYSA-N	263.385	1.806	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1CCOC1	837587971	NGWLHYVKMUTHMJ-YWNRKNDBSA-N	250.250	1.443	10	20	CDCD	
CC[C@@H]1C(=O)NCCN1Cc1c(O)ccc2ccncc12	730254796	URUGZUBXVFGVHG-CQSZACIVSA-N	285.347	1.651	10	20	CDCD	
COc1ccc(CNC(=O)N[C@H](C)C[C@@H](C)N)c(O)c1	831217623	DBPUELMGUXJEKO-NXEZZACHSA-N	281.356	1.326	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@@H](C(=O)O)C(C)C)c1	911386685	FSLYZAQOWWONOU-LBPRGKRZSA-N	281.308	1.374	10	20	CDCD	
CCc1csc(CC(=O)NCc2ccc(O)cc2O)n1	910946523	OPPDNLJLHOYPDV-UHFFFAOYSA-N	292.360	1.976	10	20	CDCD	
CCC[C@@H](OCC)C(=O)NCc1ccc(O)cc1O	910944610	VDPANJZDFJMUSV-CYBMUJFWSA-N	267.325	1.919	10	20	CDCD	
CCOC(=O)c1noc(COc2ccc(N(C)C)cc2)n1	842042917	AIWWZXJKKNENKB-UHFFFAOYSA-N	291.307	1.891	10	20	CDCD	
COc1cccc([C@H](C)NCC(C)(C)C(N)=O)c1O	846160359	UPEWVEFJTYBAJQ-VIFPVBQESA-N	266.341	1.563	10	20	CDCD	
CO[C@H](CNC(=O)c1cccc(O)c1O)CC(C)C	841444038	BOIXAISGFIHJQU-JTQLQIEISA-N	267.325	1.889	10	20	CDCD	
COC(=O)CCCC(=O)NCc1ccc(O)cc1O	910950605	YEXFXWBZTOSAOY-UHFFFAOYSA-N	267.281	1.057	10	20	CDCD	
COc1cc([C@H]2NC3(CCCC3)C(=O)N2C)cc(O)c1O	742439774	NMDKKKDESLLDAV-ZDUSSCGKSA-N	292.335	1.479	10	20	CDCD	
CC(C)Cn1nccc1C(=O)NCc1ccc(O)c(O)c1	843830986	KONCWGSLBARDMD-UHFFFAOYSA-N	289.335	1.880	10	20	CDCD	
CNCCCNC(=O)NCc1ccc2c(c1)CCCN2C	841759422	NUTDCJHHKHBMNX-UHFFFAOYSA-N	290.411	1.478	10	20	CDCD	
COc1ccc(N(C)CCN(C)CC(=O)N(C)C)cc1	844399119	GSNROIQBAOBCFJ-UHFFFAOYSA-N	279.384	1.151	10	20	CDCD	
CC[C@@H](C)C[C@@H](CO)NC(=O)c1ccc(C)c(O)c1O	844030894	AAIWCIAPXPUAGF-KOLCDFICSA-N	281.352	1.933	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN[C@@H]1C(=O)NCC[C@H]1C	840942481	UMAHFRWLGMITAH-ABAIWWIYSA-N	275.396	1.675	10	20	CDCD	
C[C@@H](Cc1cnc[nH]1)C(=O)NCCc1ccc(O)c(O)c1	847589411	JBOZUVVZRJAJNV-JTQLQIEISA-N	289.335	1.358	10	20	CDCD	
C[C@H](CCN)NC(=O)NCc1c(O)ccc2c1CCCC2	841968080	SYWMUKDYSQQGLG-LLVKDONJSA-N	291.395	1.808	10	20	CDCD	
CN(CC1CCCC1)C(=O)C(=O)Nc1ccc(N)cc1	841024556	JKXXCUBZJFDNKH-UHFFFAOYSA-N	275.352	1.856	10	20	CDCD	
CC[C@@H](C)NC(=O)[C@@H](C)OC(=O)c1cccc(O)c1O	758563166	UOTFJKFHFLIRRV-RKDXNWHRSA-N	281.308	1.558	10	20	CDCD	
CC[C@H](N[C@@H]1COC[C@@H]1O)c1ccc(C)cc1O	866420581	PVUAAFKAZJJYQO-SCRDCRAPSA-N	251.326	1.501	10	20	CDCD	
CNC(=O)[C@H]1CCC[C@@H]1NCc1cc2c(cc1O)OCO2	765795587	KDDNUAQWJJCMHJ-QWRGUYRKSA-N	292.335	1.125	10	20	CDCD	
CCOc1ccc(CN2CCS(=O)(=O)CC2)c(O)c1	769316583	IMMSFZNQRFNGSZ-UHFFFAOYSA-N	285.365	1.021	10	20	CDCD	
C[C@@H](NC(=O)[C@@H]1C[C@@]12CCCNC2)c1ccccc1O	870988165	HFICICNWDBDHCD-PVXIVEMSSA-N	274.364	1.959	10	20	CDCD	
CCN(C)c1ccc(CN2CCO[C@H](OC)C2)cc1	878970169	JYHWOIUSWUAUFH-HNNXBMFYSA-N	264.369	1.947	10	20	CDCD	
O=C(NCc1ccccc1O)c1cccc(CO)c1	774062418	CYEAHQUQFWURQK-UHFFFAOYSA-N	257.289	1.815	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@]2(C)CCNC2=O)cc1F	874250870	ADXSKKJSVLZFCB-OAHLLOKOSA-N	293.342	1.034	10	20	CDCD	
COc1ccc(CNCCCCO)cc1Cn1cccn1	873115264	FJZGZBVWZCFADO-UHFFFAOYSA-N	289.379	1.802	10	20	CDCD	
C[C@@H](NC(=O)Cc1cnn(C)c1)c1ccc(N(C)C)cc1	773010391	UMGVRVVNUQQVAV-GFCCVEGCSA-N	286.379	1.906	10	20	CDCD	
CC[C@@H](CO)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	779846548	UZULUIAMSNFPIZ-RYUDHWBXSA-N	264.369	1.948	10	20	CDCD	
CC(=O)c1cc(Cl)cc(Cn2cc([C@@H](C)N)nn2)c1O	880999062	FIRKUZMRAVAZRY-SSDOTTSWSA-N	294.742	1.908	10	20	CDCD	
COc1cccc(O)c1CN(C)CC1CC(O)C1	785984601	OIROWPFVXHQXTN-UHFFFAOYSA-N	251.326	1.604	10	20	CDCD	
Cc1ccc(C(=O)NCc2c[nH]nc2C)c(O)c1O	780907713	WHBHUKWIUOGQHP-UHFFFAOYSA-N	261.281	1.368	10	20	CDCD	
O=C(NC[C@@H](O)c1ccccc1)c1c(F)ccc(O)c1O	789994724	BGUKSXIRNRBAQL-GFCCVEGCSA-N	291.278	1.700	10	20	CDCD	
COc1cccc(CNC(=O)NC[C@@H]2CCC=CO2)c1O	780748863	DXCDIQYTHSDGGK-LBPRGKRZSA-N	292.335	1.893	10	20	CDCD	
COc1ccc(CN[C@@H](C)c2n[nH]c(C)n2)c(O)c1OC	894466823	FDKQLFXTIOTMCW-QMMMGPOBSA-N	292.339	1.687	10	20	CDCD	
CCOC(=O)[C@H](C)NCc1cc(C)cc(OC)c1O	894537315	CKKQKPYMHZBVNY-JTQLQIEISA-N	267.325	1.750	10	20	CDCD	
COc1ccc(CN[C@H](C)Cn2ccnc2)c(O)c1OC	892566820	ODCXCQZMOQTRJJ-LLVKDONJSA-N	291.351	1.784	10	20	CDCD	
Cc1nn(C)c(C)c1CC(=O)N(C)c1ccc(N)cc1	702109934	GKXSRPKBGHYBFB-UHFFFAOYSA-N	272.352	1.825	10	20	CDCD	
C[C@@H](NC[C@@]1(O)CCN(C)C1)c1ccccc1O	702572717	IKZNFFOATRQMCV-RISCZKNCSA-N	250.342	1.109	10	20	CDCD	
O=C(c1cccc(O)c1O)N(C[C@@H]1CCOC1)C1CC1	187198291	INJALYSLGQTRKX-JTQLQIEISA-N	277.320	1.739	10	20	CDCD	
CCCN(CC(=O)NC)Cc1c(O)cccc1OC	768998556	IBKLMGXUCNVIGU-UHFFFAOYSA-N	266.341	1.359	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CC12CCC2	1331655318	LBGKZXUIKGUWGB-CYBMUJFWSA-N	288.347	1.409	10	20	CDCD	
CCOc1cccc(CN2CC(NC(=O)OC)C2)c1O	1261297831	QCRIRLBUSLVZTM-UHFFFAOYSA-N	280.324	1.331	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)c2csnn2)c1	153859548	AMOVHAMESIYUQA-SSDOTTSWSA-N	279.321	1.743	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)[C@H]1C[C@H]2CC[C@@H]1O2	156663726	TUXWKNLWMIQHFQ-SUNKGSAMSA-N	277.320	1.324	10	20	CDCD	
COCC[C@H](C)CNCc1cc2c(cc1O)OCO2	840955846	YKDJTWJFLXLNSO-JTQLQIEISA-N	267.325	1.883	10	20	CDCD	
CC(C)[C@@H]1C(=O)NCCN1C(=O)Nc1ccc(N)cc1	841299592	FMCZXOUKNNDQFQ-GFCCVEGCSA-N	276.340	1.257	10	20	CDCD	
CNC(=O)C[C@@H](C)NCc1cc(Cl)cc(OC)c1O	322967803	WEPZEXMAKYTPJV-MRVPVSSYSA-N	286.759	1.668	10	20	CDCD	
CON1CCC(NCc2ccc(N(C)C)cc2)CC1	323467033	IQCUNQXTZMOXGH-UHFFFAOYSA-N	263.385	1.868	10	20	CDCD	
Cc1c(NCc2cc(F)cc(F)c2O)nnn1C	708389870	MVNJEZHANWCQFO-UHFFFAOYSA-N	254.240	1.719	10	20	CDCD	
c1cnc(CCNCc2ccc3c(c2)CCO3)cn1	390240753	UUKFCSWHWYCPQK-UHFFFAOYSA-N	255.321	1.744	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@H]2CCCO2)cc1F	58730874	YOVSTZINAMQGIJ-CYBMUJFWSA-N	266.316	1.687	10	20	CDCD	
Nc1ccc(CC(=O)NCC(F)(F)C(F)F)cc1	230669241	ZSVTYWAHAJTRAK-UHFFFAOYSA-N	264.222	1.828	10	20	CDCD	
NC1CN(Cc2cc(Br)ccc2O)C1	236170284	MLJJUZIDIFUFKU-UHFFFAOYSA-N	257.131	1.298	10	20	CDCD	
CCOCCNC(=O)NCc1cccc(OC)c1O	73603126	ZYXOWVPNHCEYBU-UHFFFAOYSA-N	268.313	1.237	10	20	CDCD	
O=S(=O)(Nc1ccc(O)cc1)c1cncc(F)c1	44261478	CHMMBPUHOSIFKI-UHFFFAOYSA-N	268.269	1.727	10	20	CDCD	
CC(=O)c1cc(F)cc(CN(CC(N)=O)C(C)(C)C)c1O	131297467	NJBATCCWBVUKIG-UHFFFAOYSA-N	296.342	1.820	10	20	CDCD	
C[C@H]1CCN(Cc2cc(F)ccc2O)C[C@@H]1CN	235658824	BGWJHDNBAUKQKF-JQWIXIFHSA-N	252.333	1.948	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2Cc1cncn1C	163183614	JTMLJJUWESVQNJ-UHFFFAOYSA-N	272.352	1.885	10	20	CDCD	
CCOc1cccc(CN(C)CCN2CCCC2=O)c1O	93320289	FNALZSLNHCZWLO-UHFFFAOYSA-N	292.379	1.845	10	20	CDCD	
Cc1cc(C(=O)NC[C@H](C)O)c(C)n1-c1ccccn1	97251062	UROXLMQLWYQQOA-NSHDSACASA-N	273.336	1.600	10	20	CDCD	
CCc1cc(NC(=O)Cc2ccc(N)cc2)n(C)n1	237130054	RGCVNZPABLGJCT-UHFFFAOYSA-N	258.325	1.746	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NCCN2CCO[C@H](C)C2)c1	248496414	LHMBUILIMACJII-CHWSQXEVSA-N	294.395	1.772	10	20	CDCD	
CCCOc1ccc(CN[C@@H](CO)COC)c(O)c1	279816570	PCEYKWXHTHFVPY-LBPRGKRZSA-N	269.341	1.278	10	20	CDCD	
CC[C@H](NCC1(CO)COC1)c1ccc(C)cc1O	280094036	MSCHTBFOZZKBNB-ZDUSSCGKSA-N	265.353	1.750	10	20	CDCD	
CCOc1ccc(CC(=O)OCC(=O)C(C)=O)cc1	808483608	PNHXQKYEUMIWHZ-UHFFFAOYSA-N	264.277	1.329	10	20	CDCD	
COC(=O)c1cnc(SC[C@H]2CNC(=O)O2)s1	295167491	HWEVCIYZHWUEAC-RXMQYKEDSA-N	274.323	1.130	10	20	CDCD	
O=C(O)[C@@H]1CCN(Cc2cc3c(cc2O)CCC3)C1	819286536	AWYRQEHKEVYIKL-GFCCVEGCSA-N	261.321	1.787	10	20	CDCD	
CCO/C=C/C(=O)NCc1ccc(N2CCOCC2)cc1	816897633	JBMXYOVMHUIDOJ-JXMROGBWSA-N	290.363	1.690	10	20	CDCD	
OCCCN(CCO)Cc1ccc2ccccc2c1O	816508779	UPMFRRGIWPPBMX-UHFFFAOYSA-N	275.348	1.722	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)[C@@H]2CC(=O)N2)cc1	822608914	ZLDAFQQNZSARFR-ZDUSSCGKSA-N	275.352	1.038	10	20	CDCD	
O=C(NCCCSc1nccs1)[C@@H]1C[C@@]12CCNC2	829528061	KAOHPPWJYGOKNK-GXFFZTMASA-N	297.449	1.741	10	20	CDCD	
NCC(F)(F)CNCc1ccc2c(c1)CCCO2	904356290	VCWDQTHNPPZFTG-UHFFFAOYSA-N	256.296	1.695	10	20	CDCD	
O=C(CCO)NCc1ccc(N2CCSCC2)cc1	902809180	DKVGRCSWIUHNFY-UHFFFAOYSA-N	280.393	1.238	10	20	CDCD	
CN(C)c1ccc(CN[C@H](CO)[C@H]2CCCOC2)cc1	839648748	DFLAXITWLZFKGM-GOEBONIOSA-N	278.396	1.630	10	20	CDCD	
C[C@@H]1C[C@H](CNC(=O)c2cc(O)cs2)[C@@H](C)O1	839852441	VSWDYBMGMBJUMU-IWSPIJDZSA-N	255.339	1.997	10	20	CDCD	
O=C(O)c1cc2n(n1)CCC[C@@H]2NCc1ccccc1O	905792620	CZHQNPSWFKVVLU-NSHDSACASA-N	287.319	1.912	10	20	CDCD	
CCN(CCO)c1ccc(/C=C/C(=O)O)cc1[N+](=O)[O-]	737104049	MSCHTPIXHUJYNE-GQCTYLIASA-N	280.280	1.511	10	20	CDCD	
Cc1cccc(C(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)n1	832292941	NQPHFUYTUNTSDM-OAHLLOKOSA-N	298.390	1.886	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCN([C@@H]2CCC[C@H]2O)CC1	732289060	KCHSRGOZQXIVOT-VXGBXAGGSA-N	296.392	1.125	10	20	CDCD	
CCc1cccc(CN(C)CC(=O)NCCCOC)c1O	848879775	CCSVIFFSDSGNRW-UHFFFAOYSA-N	294.395	1.539	10	20	CDCD	
Oc1c(F)cccc1CN1CC[C@]2(CCNC2)C1	843120305	DPLQFWMNQNDDEC-AWEZNQCLSA-N	250.317	1.717	10	20	CDCD	
C[C@@H](CCN)NC(=O)N(C)Cc1ccccc1O	841967304	MMUBDOFBWULGMF-JTQLQIEISA-N	251.330	1.271	10	20	CDCD	
CCN1C[C@H](C(=O)NCc2cc(Cl)ccc2O)CC1=O	846472352	IOOOJRRNSRRZOX-SNVBAGLBSA-N	296.754	1.530	10	20	CDCD	
COc1cc(O)c(CN[C@@H](C)CCCN)cc1OC	841081768	YIHMNDURCSNZQC-JTQLQIEISA-N	268.357	1.626	10	20	CDCD	
C[C@@H](COCC1CC1)NC(=O)c1cc(O)cs1	846661680	LJJOYIKKQCCUGA-QMMMGPOBSA-N	255.339	1.999	10	20	CDCD	
COc1ccc(O)c(CNC(=O)N[C@@H]2COC[C@@H]2C)c1	918745420	KGKXVGDQFVVLLK-JOYOIKCWSA-N	280.324	1.235	10	20	CDCD	
CCOc1ccc(O)c(CNCC[C@@H]2CCNC2)c1	841037902	ZUTOVRPJWMQQIK-LBPRGKRZSA-N	264.369	1.880	10	20	CDCD	
COc1cc(O)c(CN2CC[C@@H](N)[C@@H](C)C2)cc1OC	843050990	CXMNJHCDDMFUPZ-CMPLNLGQSA-N	280.368	1.579	10	20	CDCD	
CN[C@H]1CCCN(C(=O)NCc2ccc(N(C)C)cc2)C1	841653192	HXGGFNQTDRCDGA-AWEZNQCLSA-N	290.411	1.646	10	20	CDCD	
CCN(C)c1ccc([C@@H](C)NCCN2CC[C@@H](O)C2)cc1	858549473	XHYMRHQKIMRXLS-RHSMWYFYSA-N	291.439	1.860	10	20	CDCD	
Cn1cncc1CNC(=O)/C=C\c1ccc(O)c(O)c1	752951791	JXZSJUZVKDDNRV-HYXAFXHYSA-N	273.292	1.161	10	20	CDCD	
COc1cccc(O)c1CN1C[C@@H]2CCC[C@]2(CN)C1	844900943	BZMILEQOSXGQAD-LRDDRELGSA-N	276.380	1.962	10	20	CDCD	
Cc1ccc(O)c([C@H](C)NCc2nc(O)cc(CN)n2)c1	854231208	CDYCTHWGCMBLMV-JTQLQIEISA-N	288.351	1.506	10	20	CDCD	
C[C@H]1CCNC(=O)[C@@H]1NCc1cc(F)c(N(C)C)cc1F	858161721	DIFAQPMYQRVZAF-LKFCYVNXSA-N	297.349	1.645	10	20	CDCD	
COC[C@](C)(O)CN[C@@H](C)c1cc(F)cc(F)c1O	756577937	SWXSDTZMAUIPGP-ISVAXAHUSA-N	275.295	1.718	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)C(F)(F)C2(O)CCC2)c1	862757807	DULGVLSTUFMZTC-UHFFFAOYSA-N	285.290	1.867	10	20	CDCD	
O=C(NCc1ccccc1O)c1ncc(F)cc1F	760453759	IBKFRTFJFNHUPZ-UHFFFAOYSA-N	264.231	1.995	10	20	CDCD	
CNS(=O)(=O)C[C@@H]1CCCN1Cc1ccc(C)cc1O	876789657	FQIYPRRSIAZDSY-ZDUSSCGKSA-N	298.408	1.214	10	20	CDCD	
O=S(=O)(Nc1ccc(O)cc1)c1ccc2c(c1)OCO2	777905168	CVYWYACUMVKXMR-UHFFFAOYSA-N	293.300	1.922	10	20	CDCD	
Cc1ccc(CNC2(CCO)CCOCC2)c(O)c1	876876440	FDZDHBNLLHTVLJ-UHFFFAOYSA-N	265.353	1.722	10	20	CDCD	
CC[C@](C)(CC(=O)OC)NC(=O)c1ccc(C)c(O)c1O	770503560	RWHJFBFBFUEVGD-OAHLLOKOSA-N	295.335	1.868	10	20	CDCD	
Cc1cc(Cn2cc(CCCO)nn2)ccc1N(C)C	881378330	MZPOJKYTUWYICC-UHFFFAOYSA-N	274.368	1.626	10	20	CDCD	
C[C@H](O)C[C@@H](C)NCc1cc([N+](=O)[O-])ccc1O	782977129	BYRGPUZEFNGFMW-BDAKNGLRSA-N	254.286	1.549	10	20	CDCD	
CCc1cccc(CN2CC[C@@H](CS(N)(=O)=O)C2)c1O	897052972	PEHSBVWHWPRQAM-LLVKDONJSA-N	298.408	1.065	10	20	CDCD	
COc1cc(C)cc(CN[C@H](C)[C@H](CO)SC)c1O	894281349	OPNNZPDZCDSXCI-MFKMUULPSA-N	285.409	1.911	10	20	CDCD	
COc1ccc(CNC[C@@H](C)CCCO)c(O)c1OC	894681769	JXHFBQJFWYIQKF-NSHDSACASA-N	283.368	1.908	10	20	CDCD	
COCC1(C)CN(C(=O)/C=C\c2ccc(O)c(O)c2)C1	790430375	KDXYOLLWALIBEK-XQRVVYSFSA-N	277.320	1.606	10	20	CDCD	
COc1cc(C)cc(CNCC[C@]2(O)CCCOC2)c1O	895149503	JCZPDZMLEVYNGR-MRXNPFEDSA-N	295.379	1.730	10	20	CDCD	
Nc1cc(NCc2ccc(N3CCOCC3)cc2)ncn1	1318265958	KJWCZFAVPAWJHN-UHFFFAOYSA-N	285.351	1.508	10	20	CDCD	
O=C(O[C@@H]1CCN(C2CC2)C1=O)c1cccc(O)c1O	1326342052	BQMGBTBSKJIDRJ-LLVKDONJSA-N	277.276	1.018	10	20	CDCD	
COc1cccc(O)c1CN1CCNC(C)(C)C1	769191816	NSWXQRSGWMYJDI-UHFFFAOYSA-N	250.342	1.585	10	20	CDCD	
Nc1nccc(NCc2ccc(N3CCC(O)CC3)cc2)n1	1337929625	OHEYSMUYADNRSJ-UHFFFAOYSA-N	299.378	1.632	10	20	CDCD	
COc1ccc(O)c(CNCCN2CC[C@H](C)C2)c1	777483350	NSIQVVWYWINJPG-LBPRGKRZSA-N	264.369	1.832	10	20	CDCD	
CCn1[nH]cnc1=NCc1cc(Cl)ccc1O	1339758943	WBXCAPIWVUXSHQ-UHFFFAOYSA-N	252.705	1.691	10	20	CDCD	
C[C@@H]1[C@@H](C(=O)O)CCN1Cc1ccc(F)c(F)c1O	1604637339	RFWRHWCNGVGHDW-APPZFPTMSA-N	271.263	1.965	10	20	CDCD	
CC[C@H](NC[C@@H]1CCN(c2ccc(OC)cc2)C1)C(=O)O	1609932567	MTSDHTQQXCMBIJ-WFASDCNBSA-N	292.379	1.974	10	20	CDCD	
COc1ccc(CN2CCN[C@@H](C)[C@@H]2C)c(O)c1OC	1579214048	UVTAOTQQJRHBSD-QWRGUYRKSA-N	280.368	1.592	10	20	CDCD	
CN(C[C@@]1(C)CCNC1)c1ccc(OCC(=O)O)cc1	1598442801	XEXVEJFIGWUTDJ-HNNXBMFYSA-N	278.352	1.586	10	20	CDCD	
CON(C)C(=O)[C@@H](C)N[C@H](C)c1cc(C(=O)O)ccc1O	1599315114	MNLZJJMQVZWLBY-RKDXNWHRSA-N	296.323	1.149	10	20	CDCD	
CN(C)c1ccc(CN[C@@H]2C=C[C@@H](C(=O)O)C2)cc1	1777039969	PIEZITWQFIDYMY-CHWSQXEVSA-N	260.337	1.872	10	20	CDCD	
COc1ccc(N2CCCN(C(=O)CCCN)CC2)cc1	165752342	XMPWOEDWAWLZGJ-UHFFFAOYSA-N	291.395	1.473	10	20	CDCD	
COc1ccc(N2CCC(NC(=O)CCN)CC2)cc1	167241357	TYLKTFRJDSONLB-UHFFFAOYSA-N	277.368	1.129	10	20	CDCD	
COc1cccc(CN2CCC[C@@H](CNC(C)=O)C2)c1O	155547506	QICNMKDGPXWHID-ZDUSSCGKSA-N	292.379	1.749	10	20	CDCD	
C[C@@H](C[C@H]1CCC(=O)N1)NCc1ccc2c(c1)CCO2	924902126	XAIROYUHSWDFIQ-SMDDNHRTSA-N	274.364	1.768	10	20	CDCD	
C[C@@H](NCCS(=O)(=O)N(C)C)c1ccc(N(C)C)cc1	230992701	WSODAHIIQHVETJ-GFCCVEGCSA-N	299.440	1.295	10	20	CDCD	
Cc1ccc(O)c(CN2CCC(NCCO)CC2)c1	686273360	KOJCTJUVHPNFEZ-UHFFFAOYSA-N	264.369	1.247	10	20	CDCD	
COCC[C@@H](CO)NCc1cc(F)cc(F)c1O	708453468	GWFJICAOVBXYKQ-JTQLQIEISA-N	261.268	1.157	10	20	CDCD	
COc1cccc(CNC(=O)NCC(F)(F)F)c1O	69216848	QBXMPYTXJNGKNV-UHFFFAOYSA-N	278.230	1.762	10	20	CDCD	
Cc1ccc(C(=O)N2CCSCC2)c(O)c1O	177673043	AZONGWXLJDCKAY-UHFFFAOYSA-N	253.323	1.595	10	20	CDCD	
O=C(O)C[C@@H]1CCCN1C(=O)c1cccc(O)c1O	126010829	RNGJIYWLMNOZBY-QMMMGPOBSA-N	265.265	1.177	10	20	CDCD	
CN(C)S(=O)(=O)Nc1cc(Cl)c(O)c(Cl)c1	125127194	PATWJEPJMBYQKH-UHFFFAOYSA-N	285.152	1.917	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NCc1ccc(O)nc1	180792716	HOMIDFQVZSOZOG-GORDUTHDSA-N	286.287	1.528	10	20	CDCD	
CCn1nncc1CN[C@H](C)c1ccc(F)cc1O	527920506	PSZAKTUYNCQDCE-SECBINFHSA-N	264.304	1.994	10	20	CDCD	
COc1cccc(CN2CCC[C@@H]([C@H](C)O)C2)c1O	136822882	CLSYDXPEKMBVTP-NWDGAFQWSA-N	265.353	1.994	10	20	CDCD	
COCCOCCN(C)Cc1cccc(OC)c1O	290213960	QXDQDSGTUXZFBS-UHFFFAOYSA-N	269.341	1.496	10	20	CDCD	
CO[C@H](C)CNC(=O)NCc1ccc2c(c1)CCCN2C	190415441	ZVKLBQGXBBAESE-GFCCVEGCSA-N	291.395	1.903	10	20	CDCD	
CC(C)CNC(=O)CN[C@@H](C)c1ccc(F)cc1O	228693889	KISXTLNMVWINJZ-JTQLQIEISA-N	268.332	1.954	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CCNC1	237151309	SSVXBZSXZAYLEH-NSHDSACASA-N	275.352	1.088	10	20	CDCD	
CN(CCC1OCCCO1)Cc1ccccc1O	267985030	YXMLDYZYPVDUDQ-UHFFFAOYSA-N	251.326	1.977	10	20	CDCD	
CNC(=O)CCCN(C)Cc1cccc(OC)c1O	93717964	SJOXRPCIRXZXHC-UHFFFAOYSA-N	266.341	1.359	10	20	CDCD	
C[C@@H](O)CN(C)C(=O)NCc1ccc(N(C)C)c(F)c1	91215503	NXEPFIGMQYHLJB-SNVBAGLBSA-N	283.347	1.414	10	20	CDCD	
Cc1cccc(CN2C[C@@H](C)O[C@@H](CO)C2)c1O	248957024	FYDWHSXQRZHUSY-DGCLKSJQSA-N	251.326	1.282	10	20	CDCD	
COc1cccc(CNC[C@@H]2CN3CCC[C@H]3CO2)c1O	252667301	IIECCQHOAXMGTC-UONOGXRCSA-N	292.379	1.354	10	20	CDCD	
Oc1c(Cl)cc(Cl)cc1CNC[C@H]1COCCN1	530181073	JYLUCCXUUCHSJT-JTQLQIEISA-N	291.178	1.777	10	20	CDCD	
CC[C@@H](C)[C@H](O)CNC(=O)NCc1ccc(N(C)C)cc1	264864293	PRWUZIPYZVSQGW-IUODEOHRSA-N	293.411	1.959	10	20	CDCD	
CCOC(=O)[C@@](C)(O)CN(C)c1ccc2c(c1)OCO2	274168349	GQKHBCRVVNGEGG-AWEZNQCLSA-N	281.308	1.166	10	20	CDCD	
CCOc1ccc(O)c(CN[C@H](C)c2ncnn2C)c1	276672401	KRVOBMCCFDMBNS-SNVBAGLBSA-N	276.340	1.770	10	20	CDCD	
C[C@H](NC(=O)NCc1ccccc1O)c1ncnn1C	276450279	DJZHCRDLPQSTHH-VIFPVBQESA-N	275.312	1.081	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCC[C@]12CCOC2=O	368454975	MXNKEHZLUWKFHN-CQSZACIVSA-N	277.276	1.020	10	20	CDCD	
Cc1ccc(C(=O)N[C@H](CCO)C(C)C)c(O)c1O	272722067	HPYGHIFITXRNHE-LLVKDONJSA-N	267.325	1.543	10	20	CDCD	
C[C@H]1[C@@H](C)N(Cc2cc(F)ccc2O)CC[S@@]1=O	272289810	NZBSDUOICZCKHL-JJQCHNSYSA-N	271.357	1.873	10	20	CDCD	
COCC[C@H](CO)N[C@H](C)c1cc(C(=O)OC)ccc1O	281484395	FYMOYFMIEVQCHY-ZYHUDNBSSA-N	297.351	1.227	10	20	CDCD	
O=C(O)[C@H]1C[C@H]2CC[C@H]1N2C(=O)c1cc(O)cs1	1601791148	YHBLEFFWIQLUBO-BWVDBABLSA-N	267.306	1.531	10	20	CDCD	
C[C@H](NCc1cnnn1C)c1ccc(F)c(F)c1O	287517771	ZLUJTBBJRFNOHK-ZETCQYMHSA-N	268.267	1.650	10	20	CDCD	
C[C@@H](C(=O)O)C(=O)N1CCOc2cc(N(C)C)ccc21	564570806	COJRHIGFPNLFIR-SECBINFHSA-N	278.308	1.199	10	20	CDCD	
COCC1(NC(=O)c2cccc(O)c2O)CCOCC1	817226492	SKCMVCLAQRKYKO-UHFFFAOYSA-N	281.308	1.023	10	20	CDCD	
CC(=O)N1CCCC[C@H]1C(=O)NCCc1ccc(N)cc1	818545290	VURXUDILVVWEFS-HNNXBMFYSA-N	289.379	1.329	10	20	CDCD	
CN(C)c1ccc(CN[C@@]2(CC(=O)O)CCCOC2)cc1	901523532	DVUVYYQKJFPQFW-MRXNPFEDSA-N	292.379	1.866	10	20	CDCD	
C[C@H](C(=O)NCCc1ccc(O)c(O)c1)c1cnccn1	907057109	NQVGXUVPUZUCNA-JTQLQIEISA-N	287.319	1.350	10	20	CDCD	
COC(=O)NCCC(=O)N[C@H](C)c1cc(OC)ccc1O	730833955	UXMXIURDPIWLQN-SECBINFHSA-N	296.323	1.324	10	20	CDCD	
C[C@H](C(=O)NCCc1ccc(N)cc1)c1cnn(C)c1	832659049	JBYWWZNEROXKGS-NSHDSACASA-N	272.352	1.465	10	20	CDCD	
C[C@H](NCc1ccc(N2CCOCC2)cc1)[C@@H](C)C(=O)O	901444922	KGCUUXKOJYQONT-OLZOCXBDSA-N	292.379	1.722	10	20	CDCD	
CCO[C@H]1C[C@](CO)(NC(=O)c2cc(O)cs2)C1(C)C	832677729	LJVDUXZBSYUJFB-SMDDNHRTSA-N	299.392	1.750	10	20	CDCD	
COc1ccc(N2CC[C@H](CNC(=O)C[C@@H](C)N)C2)cc1	831752822	FLPQDNGVKYDWSK-CHWSQXEVSA-N	291.395	1.375	10	20	CDCD	
COC1(OC)CC(NC(=O)c2cc(O)cs2)C1	911023673	QNVCWEIAIFRASM-UHFFFAOYSA-N	257.311	1.335	10	20	CDCD	
O=C(O)[C@]1(F)CCN(Cc2cc3c(cc2O)OCO3)C1	833176411	YTZNLVPNUMZUCH-ZDUSSCGKSA-N	283.255	1.120	10	20	CDCD	
CCO[C@@H]1CCC[C@H]1NC(=O)c1cccc(O)c1O	837136235	IAVOXXDRBNZHIC-ZYHUDNBSSA-N	265.309	1.785	10	20	CDCD	
C[C@H]1CO[C@H](C)CN1C(=O)NCCc1ccc(N)cc1	841960778	WXBHNDKFSSELRX-NWDGAFQWSA-N	277.368	1.630	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NCc2ncccn2)cc1	840932406	UPHHCVPRMRMCRD-UHFFFAOYSA-N	285.351	1.542	10	20	CDCD	
CNCCCNC1CCN(c2ccc(OC)cc2)CC1	841043212	UWNIENPITIQQMA-UHFFFAOYSA-N	277.412	1.863	10	20	CDCD	
COc1cc(O)c(CN[C@H]2CO[C@@H](C)C2)cc1OC	843433005	UDQLIOGSLCWFAA-GXSJLCMTSA-N	267.325	1.676	10	20	CDCD	
CCc1cccc(CNCCCN2CCC(O)CC2)c1O	848894194	KOAZXMHTDAFWCI-UHFFFAOYSA-N	292.423	1.891	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1C[C@H]2C[C@H]2N1	844186408	IMTHSKQNLBNICT-YUELXQCFSA-N	273.380	1.428	10	20	CDCD	
CNC[C@H](C)N[C@H](C)c1ccc(N2CCOCC2)c(F)c1	854233323	XUPYUBJTCYNWPE-QWHCGFSZSA-N	295.402	1.921	10	20	CDCD	
CON(C)C(=O)[C@H](C)N[C@@H](C)c1cc([N+](=O)[O-])ccc1O	858580737	VHCOFLABPGAEOU-IUCAKERBSA-N	297.311	1.359	10	20	CDCD	
CN(C)c1ccc([C@@H](N)CNCc2ccn(C)c2)cc1	863641431	BYFQOBVCSFVAFN-INIZCTEOSA-N	272.396	1.881	10	20	CDCD	
CCOc1ccc(O)c(CN(C)CCOCCN)c1	863650346	QXSVRSNYGOHBHC-UHFFFAOYSA-N	268.357	1.198	10	20	CDCD	
CCC[C@H](C)S(=O)(=O)NCc1ccc(O)cc1O	867416983	KPTLQOFMOZYXQD-VIFPVBQESA-N	273.354	1.706	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)/C=C/[C@@H]2CCOC2)c1	862755289	QASLZYKZOUIFNB-OGOUPESXSA-N	261.321	1.910	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CCCNC1=O	865904512	NYWHDPBQYOWFFM-AWEZNQCLSA-N	289.379	1.203	10	20	CDCD	
CN(CC(=O)NCc1ccccc1O)[C@@H]1CCSC1	764068021	KPXRKAJFZFSGCZ-GFCCVEGCSA-N	280.393	1.446	10	20	CDCD	
COC(=O)[C@@H]1[C@H](O)CCCN1Cc1ccc(C)cc1O	877460627	VIALJLNNHLRYIR-OCCSQVGLSA-N	279.336	1.199	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H]1CCN(C2CC2)C1	779499308	MVHQIPPQHAQEOG-DBGMKRSLSA-N	288.347	1.464	10	20	CDCD	
CCC[C@H](O)CC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	773745992	SCTKHCWARAJVGF-JQWIXIFHSA-N	281.352	1.696	10	20	CDCD	
CN(Cc1ncon1)C(=O)/C=C/c1ccc(O)c(O)c1	779543378	AXNKMXFXYHXVBT-HWKANZROSA-N	275.264	1.153	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)c1csc2cncn12	778915915	YGEHHRWEWCILIY-UHFFFAOYSA-N	289.316	1.737	10	20	CDCD	
COc1cccc(O)c1CN[C@H]1CCO[C@@]2(CCOC2)C1	770751726	AOYONOIIEPLJEZ-LRDDRELGSA-N	293.363	1.829	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@@H]1CCC[C@H](C(N)=O)C1	787119470	BLKRQGRHPRHQON-NWDGAFQWSA-N	290.363	1.642	10	20	CDCD	
Cc1csc(CNC(=O)c2c(F)ccc(O)c2O)n1	789952727	HROYHKMKYGLHPW-UHFFFAOYSA-N	282.296	1.932	10	20	CDCD	
COc1cc(C)cc(CN2C[C@@H](O)C[C@@]2(C)CO)c1O	895323222	AWZVWNBYUMAOPL-WFASDCNBSA-N	281.352	1.027	10	20	CDCD	
Cc1ccc(O)c(CN(C)Cc2nnc3c(=O)[nH]ccn23)c1	895623681	SQTGXAHQKXTLRH-UHFFFAOYSA-N	299.334	1.064	10	20	CDCD	
COc1ccc(CNC(=O)c2ccc(F)cn2)c(O)c1	794379232	JMODVRUSUZDNJC-UHFFFAOYSA-N	276.267	1.865	10	20	CDCD	
COc1cc(C)cc(CN2CC[C@](C)(C(N)=O)C2)c1O	794716390	RWSWYYYKIMEDOZ-HNNXBMFYSA-N	278.352	1.407	10	20	CDCD	
O=C(c1cccc(O)c1O)N1C[C@H]2CC[C@H]1[C@@H](O)C2	899760875	RJEGHBYKMCHMOT-PEXQALLHSA-N	263.293	1.083	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1N	250151667	CISCSHGPIAVCRW-UOVKNHIHSA-N	274.364	1.724	10	20	CDCD	
[N-]=[N+]=NCc1ccc(C(=O)N2CC[C@H](O)C2)s1	1537962992	NGAMDMMODVJQDY-ZETCQYMHSA-N	252.299	1.765	10	20	CDCD	
CCON(C)C(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	1323938179	NIJPKHUBQWDWPS-NSHDSACASA-N	293.367	1.340	10	20	CDCD	
C=CC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	1335323606	GXVLFKSCHBBUNG-CQSZACIVSA-N	261.369	1.658	10	20	CDCD	
CCN(CC(=O)NC)Cc1ccc(N2CCCC2)cc1	1336942162	ASDACUVZGSVFIO-UHFFFAOYSA-N	275.396	1.855	10	20	CDCD	
Nc1ccc(CNC(=O)N[C@@H]2CCCNCC2)cc1	1336918399	LDPGZKLJRFLQBN-CYBMUJFWSA-N	262.357	1.210	10	20	CDCD	
C[C@](O)(CNC(=O)NCc1ccc(N)cc1)C1CC1	1338791915	CGWLHEKJKYNMOJ-AWEZNQCLSA-N	263.341	1.229	10	20	CDCD	
COc1cccc(O)c1CNCCN1CC=CCC1	793319030	KXOJFOJUJWPMGY-UHFFFAOYSA-N	262.353	1.752	10	20	CDCD	
CN(Cc1nccn1C)C(=O)NCc1ccc(N)cc1	1337070875	ZHAQEGXNOVGXBS-UHFFFAOYSA-N	273.340	1.344	10	20	CDCD	
CC1=NO[C@](C)(C(=O)N(C)Cc2ccccc2O)C1	1262614057	XUXLVEUZSIVHNG-AWEZNQCLSA-N	262.309	1.906	10	20	CDCD	
COCc1nocc1C(=O)N(C)Cc1ccccc1O	1347718924	WNSQMVXSEHPSAY-UHFFFAOYSA-N	276.292	1.799	10	20	CDCD	
CO[C@H]1COCC[C@@H]1CNC(=O)NCc1ccc(N)cc1	1346648285	MGHSHSCWIMCPJD-OCCSQVGLSA-N	293.367	1.120	10	20	CDCD	
Nc1ccc(CNC(=O)N[C@@H]2CCC[C@@H](N)C2)cc1	1262586103	UZKWALIOJGFOLJ-CHWSQXEVSA-N	262.357	1.338	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@]1(F)CCOC1	1346392981	VGGYFQPTGIOVPX-ZDUSSCGKSA-N	253.273	1.479	10	20	CDCD	
CO[C@H](C)CNCc1ccc(N2CCN(C)CC2)c(F)c1	1350136085	LZMXFJJZOILWOV-CYBMUJFWSA-N	295.402	1.702	10	20	CDCD	
O=C(NC[C@@H](CC1CC1)C(=O)O)c1cc(O)cs1	1608418860	JFFTVTJEKRDCAC-MRVPVSSYSA-N	269.322	1.684	10	20	CDCD	
O=C(O)[C@@H](C[C@H]1CCCO1)NCc1cc(F)ccc1O	1601640804	FMQQAHHGDASHPN-VXGBXAGGSA-N	283.299	1.643	10	20	CDCD	
Cc1cc(Cl)cc(CN2C[C@@H](O)C[C@H](C(=O)O)C2)c1O	1600218910	GATQFXKWIGTTMJ-JQWIXIFHSA-N	299.754	1.621	10	20	CDCD	
COc1ccc(CN[C@H]2C[C@@H](C(=O)O)C2)c(O)c1OC	1594096216	SSNBNWUIZNFOIM-AOOOYVTPSA-N	281.308	1.362	10	20	CDCD	
CCN(C)c1ccc(CN[C@@H](COC)C(=O)O)c(C)c1	1776856203	UMGMWCHHLPSMFK-AWEZNQCLSA-N	280.368	1.640	10	20	CDCD	
CN(C)c1ccc(CNC[C@H]2C[C@@H](CC(=O)O)CO2)cc1	1777040302	YTSPHSBDUCSWBC-DZGCQCFKSA-N	292.379	1.722	10	20	CDCD	
COc1ccc(CNC[C@@]2(OC)CCOC2)cc1C	122917489	CDQZQZHLHMQKGQ-HNNXBMFYSA-N	265.353	1.899	10	20	CDCD	
C[C@@H](CN1CCOCC1)NCc1ccc(N(C)C)cc1	36932694	MTLIBRGVRGRDLN-AWEZNQCLSA-N	277.412	1.563	10	20	CDCD	
COc1ccc(O)c(CN2CCC[C@@H]([C@@H](C)N)C2)c1	70171744	FXMVBDOIIDMCQB-VXGBXAGGSA-N	264.369	1.960	10	20	CDCD	
Cc1nn(C)c(C)c1CNCc1cc2c(cc1O)OCO2	112018076	XCYFFDZLLHRPHL-UHFFFAOYSA-N	289.335	1.761	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)Cn1ccc([N+](=O)[O-])n1	119994612	XIUZQCMKHKLULZ-UHFFFAOYSA-N	290.279	1.156	10	20	CDCD	
COc1ccc(CNC(=O)[C@@H](N)C(C)C)c(O)c1	38876200	YFCDKSCUZCBUJQ-LBPRGKRZSA-N	252.314	1.000	10	20	CDCD	
Cc1ccc(C(=O)NCCOCC(F)F)c(O)c1O	188051246	MTCRVVGQQHOUMW-UHFFFAOYSA-N	275.251	1.418	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N2CC[C@](C)(O)C2)cc1F	188553948	KTHVSQOFFZFRAY-HNNXBMFYSA-N	295.358	1.558	10	20	CDCD	
C[C@@H](O)C[C@H]1COCCN1Cc1ccc(N(C)C)cc1	193558079	HCGMSFBPYSYBQZ-CJNGLKHVSA-N	278.396	1.724	10	20	CDCD	
COC[C@H](C)NC(=O)NC(=O)CSc1nccs1	48874813	UIBFWFOKWOEJSF-ZETCQYMHSA-N	289.382	1.096	10	20	CDCD	
COC[C@H](CCO)N[C@@H](C)c1ccc(F)cc1O	230663261	JOIFDDOVWQDNAA-ONGXEEELSA-N	257.305	1.579	10	20	CDCD	
CCN(CC(=O)NC[C@@H]1CCCO1)c1ccc(OC)cc1	269577559	CYZLMXNXKBYKBE-HNNXBMFYSA-N	292.379	1.817	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CCC[C@H]1c1ncc[nH]1	365695501	OSNXVWZTPPJPPS-JTQLQIEISA-N	273.292	1.798	10	20	CDCD	
Nc1ccc(CCNC(=O)C2(N)Cc3ccccc3C2)cc1	378189039	WBQAKANEQBBUPX-UHFFFAOYSA-N	295.386	1.424	10	20	CDCD	
O=C1NC[C@H](COc2ccc(N3CCCC3)cc2)O1	282294027	QVHJPPKYTSULJO-CYBMUJFWSA-N	262.309	1.774	10	20	CDCD	
CC(=O)C(=O)Cn1nc(C)c2cc([N+](=O)[O-])ccc21	289778764	WVQNWUUGHJLAPU-UHFFFAOYSA-N	261.237	1.411	10	20	CDCD	
CCCN[C@@H](C)C(=O)NCc1ccc(N(C)C)c(F)c1	295193009	ODXRVXHCZKSQKX-NSHDSACASA-N	281.375	1.896	10	20	CDCD	
Cc1cc(C)c(O)c(CN2CC[C@@H](CC(N)=O)C2)c1	808228324	UAFODRPJZPAZJP-LBPRGKRZSA-N	262.353	1.706	10	20	CDCD	
CCOCCOC1CN(Cc2ccccc2O)C1	297737180	SUTOJBAYXOUAGO-UHFFFAOYSA-N	251.326	1.630	10	20	CDCD	
CC[C@H](NC(=O)c1ccc(C)c(O)c1O)C(C)(C)O	294022413	QQMJFHHPLRTSSA-JTQLQIEISA-N	267.325	1.686	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)c1ccc[nH]1	294247169	PRSSJWGXMHHRGU-UHFFFAOYSA-N	285.347	1.922	10	20	CDCD	
COc1nccc(CNCc2ccc(N(C)C)c(F)c2)n1	295152924	JRKRJQGMBLOKJG-UHFFFAOYSA-N	290.342	1.980	10	20	CDCD	
CCN(C[C@@H](O)COCCOC)c1ccc(OC)cc1	295624822	BCKYHVLDCDFYFI-CQSZACIVSA-N	283.368	1.545	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)C2(C(C)=O)CC2)c1	815835112	KJOMRCAPBCBWCW-VIFPVBQESA-N	277.320	1.947	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)C[C@H](C)N)cc1	827341170	UBCJHGHPMAXTRI-LBPRGKRZSA-N	263.385	1.886	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)N[C@@H]1CCN(C2CC2)C1	734285172	HIPVVMRFTMWQLW-CYBMUJFWSA-N	289.379	1.770	10	20	CDCD	
CNC(=O)CN(C)Cc1ccc2ccccc2c1O	827862988	WYNSQSLLQWBPCG-UHFFFAOYSA-N	258.321	1.723	10	20	CDCD	
CCOc1ccc(O)c(CN(C)C[C@@H]2COCCO2)c1	827140320	JZTVAVCRBARORY-CQSZACIVSA-N	281.352	1.638	10	20	CDCD	
CN(C)C(=O)N[C@H]1CCCN(Cc2cc(F)ccc2O)C1	825279083	NTSBPGVZTOMXJJ-ZDUSSCGKSA-N	295.358	1.767	10	20	CDCD	
COc1ccc(O)c(CNC(=O)N[C@@H](C)CCN(C)C)c1	734066924	HORVQLFVKCONCX-NSHDSACASA-N	295.383	1.540	10	20	CDCD	
C[C@@H](NC(=O)[C@H](O)C1CC1)c1ccc(N(C)C)cc1	832431569	QZTFNHWWVJTIAR-QMTHXVAHSA-N	262.353	1.701	10	20	CDCD	
COc1ccc(O)c(CN2CCN(C(=O)O)CC2)c1	833733781	PQFOQVJZJBYMIQ-UHFFFAOYSA-N	266.297	1.196	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@H]2C[C@H]2C(=O)O)c1	738041435	JUSVCIQVGNFFQH-BKDNQFJXSA-N	279.292	1.299	10	20	CDCD	
CC[C@H](CS(=O)(=O)Nc1ccc(O)cc1OC)OC	901704311	PYJZOXALEDFNSB-SNVBAGLBSA-N	289.353	1.568	10	20	CDCD	
NC(=O)C1CCN(Cc2c(O)ccc3ccncc23)CC1	834882969	WFHQUOSSQUSCEN-UHFFFAOYSA-N	285.347	1.638	10	20	CDCD	
CCN1CCC[C@H]1CNC(=O)c1cc(O)cs1	732263838	WGYHDRYPEPPFLK-VIFPVBQESA-N	254.355	1.668	10	20	CDCD	
C[C@@]1(C(=O)O)CCN(Cc2cc3c(cc2O)OC[C@H]3O)C1	833554042	MPZDNGSCXGLQNE-IUODEOHRSA-N	293.319	1.115	10	20	CDCD	
C[C@@H]1O[C@H](C)C[C@@H]1CNC(=O)c1cc(O)cs1	839852439	VSWDYBMGMBJUMU-HRDYMLBCSA-N	255.339	1.997	10	20	CDCD	
COc1cccc([C@H](C)NCCS(=O)(=O)C2CC2)c1O	846172286	KNHYEYQUTNTXLU-JTQLQIEISA-N	299.392	1.629	10	20	CDCD	
C[C@H](CCN)NC(=O)NCc1ccc(N2CC=CC2)cc1	841832233	LJDOIBHTPVPAGQ-CYBMUJFWSA-N	288.395	1.599	10	20	CDCD	
Cc1noc(C(C)(C)NC(=O)c2cc(O)cs2)n1	846652794	UVEBVYPNQDSAOV-UHFFFAOYSA-N	267.310	1.810	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN[C@@H](C)C(=O)N(C)C	840941675	HEPQKLBFPZXKQL-LBPRGKRZSA-N	263.385	1.627	10	20	CDCD	
COc1cccc(CNC(=O)N[C@@H]2CCC[C@@H](N)C2)c1O	841980879	IZDATKLQQGGWLX-VXGBXAGGSA-N	293.367	1.470	10	20	CDCD	
COCCCCN(C)C(=O)/C=C/c1ccc(O)c(O)c1	841469711	YMMIFZVDNOBWBO-SOFGYWHQSA-N	279.336	1.996	10	20	CDCD	
COC(=O)N1CC(N[C@H](C)c2cccc(OC)c2O)C1	846157791	XHGHTUPAXXETBK-SECBINFHSA-N	280.324	1.502	10	20	CDCD	
Cc1ccc(C(=O)N[C@@]2(C)CC(C)(C)OC2=O)c(O)c1O	848150181	JCUXKOWHKLJMPR-HNNXBMFYSA-N	293.319	1.620	10	20	CDCD	
CC(C)N(C)CC(=O)N(CC(=O)O)Cc1ccccc1O	911484782	QGAFQRHWFUHOEC-UHFFFAOYSA-N	294.351	1.146	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)NCc1cc[nH]n1	916635893	GKVUYPLCKXIQJM-UHFFFAOYSA-N	287.367	1.817	10	20	CDCD	
CCCCN(CC)C(=O)C(=O)Nc1ccc(N)cc1	841010602	QGLVJBNTPPYVDN-UHFFFAOYSA-N	263.341	1.856	10	20	CDCD	
CCN(CC)c1ccc(CNC[C@H]2CNCCO2)cc1	841098446	DXRRCYMFFIAJBZ-MRXNPFEDSA-N	277.412	1.611	10	20	CDCD	
Cc1cc(N(C)C)ccc1[C@@H]1NC(=O)[C@@H]2CSCCN21	840820915	UJYGSNMKGKRAOQ-UONOGXRCSA-N	291.420	1.607	10	20	CDCD	
C[C@H](CNCc1cc(Cl)c(F)cc1O)C(=O)O	848640975	XFPSPCGNMWDHHE-ZCFIWIBFSA-N	261.680	1.995	10	20	CDCD	
COCCN(C)CCN[C@@H](C)c1cc([N+](=O)[O-])ccc1O	756528642	OIFQLSVTFRSEGT-NSHDSACASA-N	297.355	1.529	10	20	CDCD	
C[C@H](NC[C@H](O)c1cnn(C)c1)c1cc(F)cc(F)c1O	756616378	ZCINGTQLTZCXAO-SDBXPKJASA-N	297.305	1.788	10	20	CDCD	
N[C@]12CCC[C@H]1CN(Cc1cc3c(cc1O)OCO3)C2	857226389	MTYLEFNJZAVLRM-NHYWBVRUSA-N	276.336	1.434	10	20	CDCD	
O=C(N[C@@H]1CCn2cncc2C1)c1cc(O)cs1	857943379	DPLPHTWOBGERBO-MRVPVSSYSA-N	263.322	1.395	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCN(C[C@H]2CCCO2)CC1	854249768	GLBKBFCYBKKNNE-GFCCVEGCSA-N	296.392	1.391	10	20	CDCD	
COc1ccc(CNC(=O)CCc2cc(C)on2)c(O)c1	935771282	QAKKBIONZYSJLN-UHFFFAOYSA-N	290.319	1.946	10	20	CDCD	
CC[C@@H]1C(=O)NCCN1Cc1c(O)cccc1OC	769320119	IFYLLHWOHXEDET-LLVKDONJSA-N	264.325	1.111	10	20	CDCD	
NC(=O)c1cccc(NC(=O)NCc2ccccc2O)n1	761876274	WUJXROPVXHDTIX-UHFFFAOYSA-N	286.291	1.208	10	20	CDCD	
CCOc1ccc(CN2CCN[C@H](C)C2)c(O)c1	768140450	PTAFOOOWLNWCAE-LLVKDONJSA-N	250.342	1.585	10	20	CDCD	
Cc1ccc(CN(C)CC(=O)NC(C)C)c(O)c1	876548875	ATKBLJYWEWJCQL-UHFFFAOYSA-N	250.342	1.657	10	20	CDCD	
Cc1ccc(CN2CCN(c3cnccn3)CC2)c(O)c1	876589830	PRPDTGWUUSJOPC-UHFFFAOYSA-N	284.363	1.813	10	20	CDCD	
C[C@H](N)[C@H]1CN(Cc2ccc(N3CCCC3)cc2)CCO1	1118179125	LGOLNLZORSJZKG-WMLDXEAASA-N	289.423	1.835	10	20	CDCD	
Cc1nnc([C@@H](C)NC(=O)/C=C/c2ccc(O)c(O)c2)o1	779532830	UAKZLHUGGHFFBQ-YZCDNWJKSA-N	289.291	1.680	10	20	CDCD	
Cn1nnc2c1C[C@H](C(=O)Nc1ccc(N)cc1)CC2	876503769	FBZGZIDNBHAGEY-SECBINFHSA-N	271.324	1.141	10	20	CDCD	
O=C(/C=C\C1CCOCC1)NCc1ccc(O)c(O)c1	778913678	ASIJCNYLAWZWRT-RQOWECAXSA-N	277.320	1.697	10	20	CDCD	
C[C@H]1C[C@H](C(=O)OCC(=O)c2ccc(O)c(O)c2)CO1	784875461	MACIDCGNKNZXHL-WPRPVWTQSA-N	280.276	1.249	10	20	CDCD	
CO[C@H]1C[C@@H](NC(=O)NCc2ccc(N)cc2)C1(C)C	1120610461	ONJZJWKJCPPPDV-OLZOCXBDSA-N	277.368	1.882	10	20	CDCD	
Cn1cnnc1NCc1c(O)ccc(Cl)c1F	790245770	QBQNUHFOPDGQHC-UHFFFAOYSA-N	256.668	1.925	10	20	CDCD	
COc1ccc(CNC(=O)c2cnc(OC)nc2)c(O)c1	794378776	DRQNLKNYIVGIKG-UHFFFAOYSA-N	289.291	1.129	10	20	CDCD	
Cc1nnc(N(C)C(=O)/C=C\c2ccc(O)c(O)c2)s1	794019737	ZIEGJQQEGTVVIO-XQRVVYSFSA-N	291.332	1.934	10	20	CDCD	
CCN1CCN(Cc2cccc(OC)c2O)C[C@H]1C	250452127	ZRESGLXAKANRTO-GFCCVEGCSA-N	264.369	1.927	10	20	CDCD	
O=C(COCc1ccncc1)NCc1ccccc1O	1328988707	PFPJSXDZHOEAGF-UHFFFAOYSA-N	272.304	1.620	10	20	CDCD	
CNC[C@H](C)CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1	1327480712	MVIQJCAFENKAQK-STQMWFEESA-N	292.427	1.968	10	20	CDCD	
C[C@H](Cn1ccnc1)NC(=O)NCc1ccc(N)cc1	1336360718	JUIMQQLPFORQQN-LLVKDONJSA-N	273.340	1.353	10	20	CDCD	
CCN(CCS(C)(=O)=O)Cc1c(O)cccc1OC	769528779	XAFPQVXOGZMWNR-UHFFFAOYSA-N	287.381	1.267	10	20	CDCD	
C[C@H](NCC1(CO)COC1)c1ccc(N(C)C)cc1	90643212	SYDXBUDASZUSJG-LBPRGKRZSA-N	264.369	1.412	10	20	CDCD	
CN(CCCF)C(=O)C(=O)N(C)Cc1ccccc1O	1338011184	CJYTXQSDIYEWIZ-UHFFFAOYSA-N	282.315	1.169	10	20	CDCD	
CS(=O)(=O)NC[C@@H]1CCCCN1Cc1ccc(N)cc1	1334754653	QKDXVBBWSBNJAQ-AWEZNQCLSA-N	297.424	1.173	10	20	CDCD	
CN(C)c1ccc(CN[C@H]2CCOC[C@H]2CC(=O)O)cc1	1343443950	ORSKXRQLBSSSRL-HIFRSBDPSA-N	292.379	1.722	10	20	CDCD	
COCCn1cc(C(=O)NCc2ccc(N)cc2)cn1	1263303604	CBACZABVHWBXFC-UHFFFAOYSA-N	274.324	1.042	10	20	CDCD	
Nc1ccc(CC(=O)N2CCOC[C@@H]2C2CCC2)cc1	1514643910	GCROMKMRLHCXQI-OAHLLOKOSA-N	274.364	1.839	10	20	CDCD	
C[C@@H](N[C@@H]1C[C@H]2CC[C@@H]1N2)c1cc(C(=O)O)ccc1O	1604357454	KQXCZEKGBNQZDC-HMHPOGMRSA-N	276.336	1.634	10	20	CDCD	
COCCCN[C@@H](C)c1cc(C(=O)O)ccc1O	1599226613	CKBRADYYSDFIIR-VIFPVBQESA-N	253.298	1.778	10	20	CDCD	
COc1ccc(O)c([C@H](C)N[C@@H](C)CC(N)=O)c1	168828803	GVEGHMYVEIYNDE-IUCAKERBSA-N	252.314	1.315	10	20	CDCD	
O[C@@]1(CNCc2ccc3c(c2)CCCO3)CCOC1	921933899	XMHIBMRLSQTSOX-OAHLLOKOSA-N	263.337	1.253	10	20	CDCD	
CN(C)c1ccc(CNC[C@H]2CCCNC2=O)cc1	839195442	JLIFCWIFBOWCGV-CYBMUJFWSA-N	261.369	1.368	10	20	CDCD	
CC(C)[C@H](CCO)NCc1cc2c(cc1O)OCO2	230688568	PGLVDZPBWNMSEV-NSHDSACASA-N	267.325	1.618	10	20	CDCD	
COc1ccc(O)c(CN[C@H](C)CN2CCOCC2)c1	36932551	RDUPMSAWXOWDNH-GFCCVEGCSA-N	280.368	1.211	10	20	CDCD	
COCC[C@H](CO)N[C@H](C)c1cc(OC)ccc1O	281567905	KGXRHSIAQCVCIR-GHMZBOCLSA-N	269.341	1.449	10	20	CDCD	
CN(C)c1ccc(CNC(=O)CCC(C)(C)N)cc1	70088083	QDBGOZLOMLYNRI-UHFFFAOYSA-N	263.385	1.886	10	20	CDCD	
CCN(CCS(C)(=O)=O)Cc1cc(F)cc(F)c1O	708397941	DBCQEYDWXZSICY-UHFFFAOYSA-N	293.335	1.537	10	20	CDCD	
C[C@H](NC[C@H](O)CN(C)C)c1cc(F)ccc1O	717363410	CJKIUXNGKVRXIM-ONGXEEELSA-N	256.321	1.104	10	20	CDCD	
C[C@H](NC(=O)c1cccc(O)c1O)[C@@H]1CCCOC1	389050859	RXRWDWGNGHBUPP-VHSXEESVSA-N	265.309	1.643	10	20	CDCD	
COc1cccc(CN2C[C@@H](C)C[C@H](C(=O)O)C2)c1O	399011523	RPRRUHRAPSFDMR-JQWIXIFHSA-N	279.336	1.943	10	20	CDCD	
COCC(=O)N1CCCN(c2ccc(OC)cc2)CC1	55878175	UTABLUCYXZMEAK-UHFFFAOYSA-N	278.352	1.380	10	20	CDCD	
CCCN(Cc1ccccc1O)C[C@H](O)Cn1cccn1	171638407	QPABCVPDKFQCDJ-HNNXBMFYSA-N	289.379	1.862	10	20	CDCD	
COC(=O)C[C@@H]1CN(Cc2cc(C)c(C)cc2O)CCO1	176139073	CCPGYXOCVSWAON-CQSZACIVSA-N	293.363	1.773	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1ccc[n+]([O-])c1	115489643	SBMYNJIZNWXVON-UHFFFAOYSA-N	285.347	1.624	10	20	CDCD	
COc1ccc(O)c(CNC(=O)CC[C@H]2CCCO2)c1	114543634	OGNUWGYDNAIKTD-GFCCVEGCSA-N	279.336	1.976	10	20	CDCD	
C[C@H](CC(N)=O)NCc1cc(Br)ccc1O	127460456	AABIRAODTISZCG-SSDOTTSWSA-N	287.157	1.508	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2CCO)c(O)c1O	187839942	HOZZRHICZRWUEX-CMPLNLGQSA-N	279.336	1.687	10	20	CDCD	
COC(=O)C[C@@H](C)C(=O)N(C)Cc1ccc(N(C)C)cc1	121566993	VQVWPYMKGFPJRG-GFCCVEGCSA-N	292.379	1.910	10	20	CDCD	
CNC(=O)CN(C)Cc1cc(Cl)cc(OC)c1O	229119937	SNXMJRUGTVMQKR-UHFFFAOYSA-N	272.732	1.232	10	20	CDCD	
COc1cccc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c1F	195501838	LXQDTHRSURRGHI-UHFFFAOYSA-N	292.266	1.268	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)NC[C@H](C)O)cc1F	192444580	IBOWMPQKTZFFMZ-NSHDSACASA-N	297.374	1.852	10	20	CDCD	
Cc1nonc1C(=O)NCc1ccc(N2CCCC2)cc1	265072139	WSZTVBAGLQMRLF-UHFFFAOYSA-N	286.335	1.908	10	20	CDCD	
COc1ccc(O)c(CN[C@@H]2C[C@H]3CC[C@H]2NC3)c1	530246645	QXLCCIQDZYAHRT-LERXQTSPSA-N	262.353	1.631	10	20	CDCD	
O=C1N[C@@H](c2cccc(F)c2O)N2CCSC[C@@H]12	272207582	NNQCHOFQMBFCGM-GXSJLCMTSA-N	268.313	1.077	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC[C@H](O)C2CCOCC2)c1	273345868	ASRWQOFVKKZRRN-BZNIZROVSA-N	295.379	1.839	10	20	CDCD	
CC[S@@](=O)CC(=O)NCc1ccc2c(c1)CCCN2C	278918623	RNPFGBKTXLAEHN-HXUWFJFHSA-N	294.420	1.454	10	20	CDCD	
CN(C)c1ccc([C@H]2NC(=O)[C@@H]3CSCCN23)cc1	270795186	MPVPCRHKUSDYKO-STQMWFEESA-N	277.393	1.298	10	20	CDCD	
C[C@H](NCC1(C)OCCO1)c1cc([N+](=O)[O-])ccc1O	273347127	AZHXZQLQFZIRPY-VIFPVBQESA-N	282.296	1.714	10	20	CDCD	
CC[C@@H](N[C@H](CO)CCOC)c1ccc(F)cc1O	287614442	SPZSPRMPNJKBLA-WCQYABFASA-N	271.332	1.969	10	20	CDCD	
C[S@](=O)C1(CNCc2cc([N+](=O)[O-])ccc2O)CC1	282298064	JMYWOCRHVLSBGQ-IBGZPJMESA-N	284.337	1.301	10	20	CDCD	
Cc1c(Cl)c(C(=O)NCCc2ccc(N)cc2)nn1C	818545264	SRUUQJSMDZECHB-UHFFFAOYSA-N	292.770	1.937	10	20	CDCD	
CO[C@H](C)[C@H](C)NC[C@@H](N)c1ccc(N(C)C)cc1	817939341	BBWLIELJNBHSMN-YWPYICTPSA-N	265.401	1.765	10	20	CDCD	
CCOC(=O)[C@@H](F)C1CN(Cc2c(O)cccc2OC)C1	816635631	RNPRQEQCLFEWBF-AWEZNQCLSA-N	297.326	1.734	10	20	CDCD	
COCC(C)(C)N1CCN(C(=O)c2cc(O)cs2)CC1	822426765	UQHDNIROEWDVCE-UHFFFAOYSA-N	298.408	1.637	10	20	CDCD	
Cc1cc(O)c(CNCCCS(C)(=O)=O)cc1Cl	825247493	SMBREVFMJRQFGM-UHFFFAOYSA-N	291.800	1.878	10	20	CDCD	
CCOc1ccc(CN[C@H](CO)C2CC2)c(O)c1	734163205	BZZQKJYLWXBFCU-CYBMUJFWSA-N	251.326	1.651	10	20	CDCD	
COc1cc(CNC(=O)c2cc(O)cs2)ccn1	732265917	MMIDRVLZBOCGIJ-UHFFFAOYSA-N	264.306	1.787	10	20	CDCD	
CC(C)N(CCC(=O)O)Cc1cc2c(cc1O)OC[C@@H]2O	833497188	TUENLVUCIGEMTC-ZDUSSCGKSA-N	295.335	1.503	10	20	CDCD	
CCOc1ccc(CNC[C@@]2(O)CCSC2)c(O)c1	747621905	GAZIXYJNMDNAJP-AWEZNQCLSA-N	283.393	1.749	10	20	CDCD	
COCCOC[C@H](C)NCc1ccc2c(c1)CCO2	742377656	XARNWPOMEQFXEU-LBPRGKRZSA-N	265.353	1.763	10	20	CDCD	
CCN(CC)c1ccc(CN(C)[C@H](C)C(N)=O)cc1	741677891	DWVFFKOQIBWIEY-GFCCVEGCSA-N	263.385	1.838	10	20	CDCD	
C[C@H](CNC(=O)c1cccc(O)c1O)C(=O)OC(C)(C)C	848310214	WIQZXGSXLTXROE-SECBINFHSA-N	295.335	1.805	10	20	CDCD	
CCn1ccc(CNCc2cc(OC)ccc2O)n1	840954261	BFAKPRNEJLUSES-UHFFFAOYSA-N	261.325	1.907	10	20	CDCD	
COc1cc(O)c(CN2C[C@@H](C)NC[C@H]2C)cc1OC	843119920	OAAOKEOXTDWWAE-GHMZBOCLSA-N	280.368	1.592	10	20	CDCD	
Cc1cc(O)c([C@@H]2NC(=O)[C@H]3CSCCN32)cc1Cl	849183735	VYYZHEOKBTVYSJ-ZYHUDNBSSA-N	298.795	1.900	10	20	CDCD	
O=C1NCCN1CCSc1ncc(Cl)s1	850000464	WCZWBPYRWVKBRG-UHFFFAOYSA-N	263.775	1.914	10	20	CDCD	
CC[C@@H](NC)C(=O)NCc1c(O)ccc2c1CCCC2	852811505	OQTZMQLXFZOLCS-CQSZACIVSA-N	276.380	1.885	10	20	CDCD	
Cc1ccc(C(=O)NC[C@@H](CO)CC2CC2)c(O)c1O	855917009	VAQFWZCWZRZHGH-NSHDSACASA-N	279.336	1.545	10	20	CDCD	
CCN(CC)c1ccc(CN(C)CC(=O)NC)cc1	759641723	GJJBYMMQXYOZHJ-UHFFFAOYSA-N	263.385	1.711	10	20	CDCD	
CCn1nccc1CNC(=O)c1ccc(C)c(O)c1O	856478600	RLIGGRSQBGQQHH-UHFFFAOYSA-N	275.308	1.553	10	20	CDCD	
Cc1noc(C)c1N(C)C(=O)/C=C\c1cn(C)cn1	933883664	JVCVKYMCJSHZNS-WAYWQWQTSA-N	260.297	1.701	10	20	CDCD	
CCN(C)C(=O)[C@H](C)NC(=O)N[C@H](C)c1ccccc1O	868532481	JYOQCEMCZINHHR-MNOVXSKESA-N	293.367	1.619	10	20	CDCD	
OC[C@@H]1CCN(Cc2c(O)cccc2Br)C1	862237814	XAUJVCBCUZUILP-SECBINFHSA-N	286.169	1.969	10	20	CDCD	
CCOc1ccc(CN(CCOC)[C@@H](C)C(N)=O)c(O)c1	769339447	ZJYYDQVKAKTGQF-NSHDSACASA-N	296.367	1.113	10	20	CDCD	
Oc1ccc(Cl)cc1CNCc1nnnn1CC1CC1	769937149	RXMCWTHQXDFAAA-UHFFFAOYSA-N	293.758	1.732	10	20	CDCD	
Cc1cccc(O)c1CN[C@@H]1CC(=O)N(C(C)C)C1	877052196	QEBKKUJGPIZJEU-GFCCVEGCSA-N	262.353	1.800	10	20	CDCD	
Cc1ccc(CN2CCC[C@H](OCCO)C2)c(O)c1	876722285	YZHWVAMFJICRPN-AWEZNQCLSA-N	265.353	1.674	10	20	CDCD	
CC[C@@H](COC)NCc1ccc(N2CCN(C)CC2)cc1	776212700	NMSBIUVUTZFPQG-INIZCTEOSA-N	291.439	1.953	10	20	CDCD	
CN1CCN(c2ccc(CN(C)Cc3cn[nH]c3)cc2)CC1	775699913	JQAQXYKGQXQKOD-UHFFFAOYSA-N	299.422	1.794	10	20	CDCD	
CO[C@H](C)C(=O)NCc1ccc(N2CCN(C)CC2)cc1	881849259	DEMRUSPWUSUWLX-CYBMUJFWSA-N	291.395	1.090	10	20	CDCD	
C[C@@H](NCCN1CC[C@@H](O)C1)c1c(O)cccc1F	886643303	QOVBNWOKJPCDJB-GHMZBOCLSA-N	268.332	1.249	10	20	CDCD	
C[C@H](NCCCN1CCOCC1)c1c(O)cccc1F	886487746	SMORFNWEFZTGML-LBPRGKRZSA-N	282.359	1.904	10	20	CDCD	
CCN(CCC(=O)NC)C(=O)c1ccc(C)c(O)c1O	888268229	NCGRXJLUOZNOFK-UHFFFAOYSA-N	280.324	1.004	10	20	CDCD	
NC(=O)[C@@H]1CCC[C@@H](C(=O)NCc2ccccc2O)C1	787131049	GBVDKJWUQDYCNZ-GHMZBOCLSA-N	276.336	1.300	10	20	CDCD	
COc1ccc(CNCCO[C@H]2CCOC2)c(O)c1OC	897199842	MJJIBNMJRRPOOK-LBPRGKRZSA-N	297.351	1.305	10	20	CDCD	
COc1ccc(CN2CCOC[C@@H]2C)c(O)c1OC	891696430	QADBKBIBKATCRY-JTQLQIEISA-N	267.325	1.630	10	20	CDCD	
CCN(Cc1ccc(OC)c(OC)c1O)[C@@H](C)CO	894639477	NBPTWRFAMIXNOX-JTQLQIEISA-N	269.341	1.612	10	20	CDCD	
CCNC(=O)C(C)(C)CNCc1cc(C)cc(OC)c1O	894359055	KZUPUXDJCNJIAA-UHFFFAOYSA-N	294.395	1.961	10	20	CDCD	
COc1ccc(CN2CCNC(=O)C2(C)C)c(O)c1OC	891932065	RUPJVUZCUAUVFS-UHFFFAOYSA-N	294.351	1.120	10	20	CDCD	
O=C(N[C@H](CO)c1ccc(F)cc1)c1cccc(O)c1O	790916693	MZACUBMESGZHGJ-GFCCVEGCSA-N	291.278	1.700	10	20	CDCD	
C[C@H]1[C@H](C)N(C(=O)c2cccc(O)c2O)CCN1C	790911700	KOAADBNDQHLVJN-UWVGGRQHSA-N	264.325	1.262	10	20	CDCD	
Cc1ncncc1C(=O)N(C)Cc1ccccc1O	1317888654	RDCVVUUVCQIYFJ-UHFFFAOYSA-N	257.293	1.763	10	20	CDCD	
C[C@@H](NCc1cc2c(cc1O)OCO2)[C@@H]1CCOC1	135204694	VKVIYUQZRFAUCM-NXEZZACHSA-N	265.309	1.636	10	20	CDCD	
C[C@@H](NCC1(CO)COC1)c1ccc(F)cc1O	186146142	HNHCKPIZCWPRII-SECBINFHSA-N	255.289	1.191	10	20	CDCD	
CO[C@H]1C[C@@H](NC(=O)c2cccc(O)c2O)C12CCC2	713144739	KZQHHHVZBRBCAH-NEPJUHHUSA-N	277.320	1.785	10	20	CDCD	
CON(CC1CCOCC1)C(=O)NCc1ccc(N)cc1	1335726506	TXWGHJVSDWYPNR-UHFFFAOYSA-N	293.367	1.768	10	20	CDCD	
CCS(=O)(=O)C[C@@H](C)N(C)Cc1ccc(N)cc1	1334775482	ZBKKRBLJNQHIGQ-LLVKDONJSA-N	270.398	1.524	10	20	CDCD	
CN(C)c1cc(F)c(CNCC(F)(F)CO)cc1F	1351328775	HOFJMQAQGRDVDZ-UHFFFAOYSA-N	280.265	1.748	10	20	CDCD	
CC[C@H](C)N(C)CCNC(=O)NCc1ccc(N)cc1	1356619755	SSFKIKGVCVLPKO-LBPRGKRZSA-N	278.400	1.798	10	20	CDCD	
O=C(NCc1c(O)cccc1O)c1ccsc1C(=O)O	1601530726	QZMISMJDFGXPGM-UHFFFAOYSA-N	293.300	1.788	10	20	CDCD	
O=C(O)[C@H]1CCC[C@@H]1NCc1ccc2c(c1)CCO2	1608624765	LZQDOSGEYLQSLA-STQMWFEESA-N	261.321	1.964	10	20	CDCD	
Cc1ccc(O)c([C@H](C)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O)c1	1600465173	QCOJRVUIOZXARW-DCAQKATOSA-N	294.351	1.329	10	20	CDCD	
CN[C@@H](CC(C)C)C(=O)NCc1cccc(O)c1O	1578754741	YITDSOSAIXTMBS-NSHDSACASA-N	266.341	1.348	10	20	CDCD	
CCOc1cccc(CN[C@@](C)(COC)CC(=O)O)c1O	1597155169	HJYCQHOJUJXYFB-OAHLLOKOSA-N	297.351	1.760	10	20	CDCD	
C[C@@H](NCCC(=O)NCCC(=O)O)c1ccccc1O	1593259930	CATIDDHERYQNIR-SNVBAGLBSA-N	280.324	1.024	10	20	CDCD	
CCN(CC)C(=O)CN[C@@H](C)c1cc(C(=O)O)ccc1O	1596247764	JSTPNSDACLLECJ-JTQLQIEISA-N	294.351	1.609	10	20	CDCD	
CN(C)c1ccc(CNc2cc(C(=O)O)ncn2)cc1F	1777040151	YYZCXXPVANNYBU-UHFFFAOYSA-N	290.298	1.992	10	20	CDCD	
CN(C)c1ccc(CNC(=O)Nc2ccnn2C)cc1	154959341	QZSZIASRAAQBBE-UHFFFAOYSA-N	273.340	1.808	10	20	CDCD	
CCn1cc(C(=O)NCc2ccc(O)c(O)c2)cn1	159102956	UAMRFJVGGSTOQN-UHFFFAOYSA-N	261.281	1.244	10	20	CDCD	
COc1ccc(N(C)CCOCCN)c(OC)c1	843388708	CUPDMFLILKTDCS-UHFFFAOYSA-N	254.330	1.115	10	20	CDCD	
Oc1cccc(Cl)c1CN1CCN([C@@H]2CCOC2)CC1	827120246	QQWAQNJKKWSDIJ-GFCCVEGCSA-N	296.798	1.952	10	20	CDCD	
Nc1ccc(CCNS(=O)(=O)C[C@@H]2CCCCO2)cc1	193341675	MRAPZZKCFRIXBO-AWEZNQCLSA-N	298.408	1.300	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N2CCC[C@@H](O)C2)cc1F	57646604	KJZCHCKTZPDSFW-GFCCVEGCSA-N	295.358	1.558	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2ccncc2)c1	114542269	ZIGQMGAHCCCDKH-UHFFFAOYSA-N	258.277	1.726	10	20	CDCD	
CC(=O)N[C@H]1CCN(Cc2cc(F)ccc2O)C1	300436969	QYIRWYJQIRVONL-LBPRGKRZSA-N	252.289	1.242	10	20	CDCD	
CCc1nnc(NC(=O)c2cccc(O)c2O)s1	189865246	HHTSIFKGSHMZHR-UHFFFAOYSA-N	265.294	1.764	10	20	CDCD	
CNC(=O)NC(=O)CN(C)c1ccc(OC)c(Cl)c1	121945307	BBWYJDFPVAWHNR-UHFFFAOYSA-N	285.731	1.240	10	20	CDCD	
C/C=C/C[C@@H](CO)NC(=O)NCc1ccc(N(C)C)cc1	186007853	LICRMJVKMQDYTR-NNTXTVRGSA-N	291.395	1.879	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccn(C)n1	190956801	VTNIZXMFXMNCHI-SECBINFHSA-N	290.323	1.584	10	20	CDCD	
C[C@H](CNC(=O)Cc1ccc(N)cc1)Cn1ccnc1	237418872	TXIHJTAWPUQHGO-GFCCVEGCSA-N	272.352	1.460	10	20	CDCD	
COc1ccc(O)c(CNC[C@]2(O)CCSC2)c1	182557837	PRFAPCZIIGCITO-CYBMUJFWSA-N	269.366	1.358	10	20	CDCD	
C[C@@H](NC[C@H]1COCCN1)c1ccc(F)cc1O	530227844	WHMCPMUUIGQZGU-KOLCDFICSA-N	254.305	1.170	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)C(F)(F)C(F)F	272267137	COPWYFRZWFHTDY-UHFFFAOYSA-N	267.178	1.614	10	20	CDCD	
C[C@@H](Cc1cnn(C)c1)NCc1cc2c(cc1O)OCO2	825045578	HHJZIYOYMMIWBT-JTQLQIEISA-N	289.335	1.575	10	20	CDCD	
C[C@]1(C(=O)NCc2ccc(O)cc2O)CCCOC1	828912073	QMNWKUVPRIPAJY-AWEZNQCLSA-N	265.309	1.531	10	20	CDCD	
C[C@@H](NC(=O)[C@@H]1CCCN1C(N)=O)c1ccccc1O	827937343	SQAKFSWXFOGVSJ-KOLCDFICSA-N	277.324	1.113	10	20	CDCD	
C[C@H]1C[C@@H](NC(=O)NCc2ccccc2O)CO1	826035907	NQIQXQIBUASFMP-GXSJLCMTSA-N	250.298	1.369	10	20	CDCD	
C/C=C\C[C@@H](CO)NCc1ccc(N2CCOCC2)cc1	588489592	WLTRUXLSIDAHOF-YPQKKHBXSA-N	290.407	1.940	10	20	CDCD	
O=[N+]([O-])CCNCc1ccc(N2CCC(O)CC2)c(F)c1	905144295	HRKPFJDRUOULFM-UHFFFAOYSA-N	297.330	1.153	10	20	CDCD	
CO[C@@H]1C[C@@H](NC(=O)c2c(F)ccc(O)c2O)C12CCC2	839800579	WTIZMFWKQCQXKK-GHMZBOCLSA-N	295.310	1.924	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNCCCN1CCNCC1	841031072	WBRPKPJXEKROQE-UHFFFAOYSA-N	290.455	1.446	10	20	CDCD	
C[C@@H]1[C@@H](CO)CCCN1Cc1cc2c(cc1O)OCO2	840980438	ZXKXEIREFWYUJG-GHMZBOCLSA-N	279.336	1.714	10	20	CDCD	
Nc1ccc(CCNC(=O)NCCN2CC=CCC2)cc1	841959051	JYUFKZVDYHTQKM-UHFFFAOYSA-N	288.395	1.372	10	20	CDCD	
CCc1cccc(CN2C[C@@H](O)C[C@H](C(=O)OC)C2)c1O	848919861	UAHCCJZVTOPGPB-KBPBESRZSA-N	293.363	1.310	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCN[C@H](C)C1	841823842	HWFURAMTZOPSCZ-CYBMUJFWSA-N	290.411	1.564	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2C[C@H](CN)C[C@H]2C)c1O	843362684	NPFXUSHNUFQARO-KOLCDFICSA-N	280.343	1.903	10	20	CDCD	
COc1ccc(O)c(CN2CC[C@]3(CCCN3)C2)c1	841105284	HVUQSRJFSXCJDM-OAHLLOKOSA-N	262.353	1.729	10	20	CDCD	
Cn1nnc2c1CC[C@@H](NCc1cccc(Cl)c1O)C2	848926725	XFKLBUHUNVIOPZ-SNVBAGLBSA-N	292.770	1.821	10	20	CDCD	
CCc1cccc(CN(CC)[C@@H]2CCS(=O)(=O)C2)c1O	692108765	IVUQARDBELSDIL-CQSZACIVSA-N	297.420	1.964	10	20	CDCD	
COC(=O)[C@H]1C[C@@H](O)CN(Cc2c(O)cccc2Cl)C1	843434894	OAMACYLRVUEDQS-VHSXEESVSA-N	299.754	1.401	10	20	CDCD	
CC[C@H](C)C[C@H](CO)NC(=O)c1ccc(C)c(O)c1O	844030890	AAIWCIAPXPUAGF-GXSJLCMTSA-N	281.352	1.933	10	20	CDCD	
c1cc(N2CCOCC2)ccc1CNCC1OCCCO1	922278296	TZXSMJOENIJSKH-UHFFFAOYSA-N	292.379	1.376	10	20	CDCD	
COc1ccc(CN[C@H]2CCN(C(=O)C(F)F)C2)cc1C	1018386044	RMCDDDCCHJVBPX-LBPRGKRZSA-N	298.333	1.959	10	20	CDCD	
Nc1ccc(NC(=O)N2CCN([C@H]3CCOC3)CC2)cc1	850751243	XNOLZAWUTZXCRV-AWEZNQCLSA-N	290.367	1.207	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2Cc1cnon1	851882350	VRYJUWUYRVHYQS-UHFFFAOYSA-N	260.297	1.535	10	20	CDCD	
CO[C@@H]1COC[C@H]1N[C@H](C)c1ccc(N(C)C)cc1	842911133	YAGWUWOGRSEZBI-KCPJHIHWSA-N	264.369	1.817	10	20	CDCD	
C[C@@H](NCCCOCCO)c1cc(F)cc(F)c1O	757638923	SWTBSJQXCWRMSQ-SECBINFHSA-N	275.295	1.720	10	20	CDCD	
Oc1cc(F)c(Cl)cc1CNCCN1CC[C@H](O)C1	862550966	IFZUDEOTVPJXME-JTQLQIEISA-N	288.750	1.341	10	20	CDCD	
Cc1nocc1S(=O)(=O)N(C)Cc1ccccc1O	866835094	UTTPIOZDEUBEGV-UHFFFAOYSA-N	282.321	1.509	10	20	CDCD	
CCOc1ccc(CN2CCC(NCCO)CC2)c(O)c1	873218192	ZBZNHTQPDHOZAT-UHFFFAOYSA-N	294.395	1.337	10	20	CDCD	
CC[C@@]1(C(=O)N[C@H](C)c2cc(OC)ccc2O)CCNC1	1118196937	GKAFLXZPXINMSQ-BDJLRTHQSA-N	292.379	1.968	10	20	CDCD	
C[C@@]1(NCc2ccc(N3CCC(O)CC3)cc2)CCOC1	877121662	YNULYTKBILBGFP-QGZVFWFLSA-N	290.407	1.916	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)NC[C@H]2C[C@@H](N)C2)c1	873252463	SESVYALTGJQADY-FOGDFJRCSA-N	278.352	1.567	10	20	CDCD	
CCS(=O)(=O)CCCNCc1ccc(C)cc1O	877593107	YSVWDCBDBQXXSV-UHFFFAOYSA-N	271.382	1.615	10	20	CDCD	
Cc1ccc(CN(C)CCNC(=O)C(C)C)c(O)c1	876816021	GHHGMKANAXTCFE-UHFFFAOYSA-N	264.369	1.905	10	20	CDCD	
Cc1nc(C)c(CC(=O)N(C)c2ccc(N)cc2)c(O)n1	877078549	UJQCODWVKHYAJC-UHFFFAOYSA-N	286.335	1.587	10	20	CDCD	
COc1ccc(O)c(CN2CCN(C)[C@@H](C)[C@H]2C)c1	775985871	PKPFTNUQWNXEDB-NWDGAFQWSA-N	264.369	1.925	10	20	CDCD	
C[C@@H](Cn1ccnc1)NC(=O)/C=C/c1ccc(O)c(O)c1	779499490	IBYIECNAWUNCPQ-TZNOJPMFSA-N	287.319	1.512	10	20	CDCD	
CN(C)c1ccc([C@H](CNC(=O)[C@@H]2C[C@@H]2F)N(C)C)cc1	1121170461	HIYSSAGVYFAYCK-ILXRZTDVSA-N	293.386	1.830	10	20	CDCD	
CCOc1ccc(CN2C[C@@H](O)[C@H](CC)C2)c(O)c1	770383450	VLBWQODCJMEJTG-IAQYHMDHSA-N	265.353	1.994	10	20	CDCD	
N[C@H](CC1CC1)C(=O)NCCCSc1nccs1	884138077	CUPMVFWDVOWZPD-SNVBAGLBSA-N	285.438	1.869	10	20	CDCD	
C[C@H](O)C[C@@H](C)NC(=O)/C=C/c1ccc(O)c(O)c1	783628133	LWKDOSKCQJKGGJ-HANDCERCSA-N	265.309	1.387	10	20	CDCD	
COC1CCC(C(=O)NCCc2ccc(O)c(O)c2)CC1	780930891	OBKNPAFZFGWGGT-UHFFFAOYSA-N	293.363	1.962	10	20	CDCD	
Cc1ccc(C(=O)N[C@H](C)[C@H]2CCCOC2)c(O)c1O	781029269	PKVDNJCRRQSLEQ-MNOVXSKESA-N	279.336	1.951	10	20	CDCD	
CNC(=O)C[C@@H](C)NCc1ccc(OC)c(OC)c1O	894749617	ABCLDCVDWOEPGX-SECBINFHSA-N	282.340	1.024	10	20	CDCD	
C[C@@H](NCCN1CCNC1=O)c1cc(F)ccc1O	886744645	COCJRMJNNOQFBN-SECBINFHSA-N	267.304	1.207	10	20	CDCD	
CN1CC[C@H]1CNCc1cc(Cl)c(F)cc1O	896594008	FIUOVFHCMAOQJI-VIFPVBQESA-N	258.724	1.978	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)NCCN2CCC[C@H]2C)c1	897515171	LDEQXUWICUTUTC-CYBMUJFWSA-N	291.395	1.984	10	20	CDCD	
CCN(CC)c1ccc(CN2C[C@H](O)C[C@]2(C)CO)cc1	895327352	MOMUQTSTGNBQAQ-IAGOWNOFSA-N	292.423	1.850	10	20	CDCD	
CCOc1ccc(CN[C@H](C)C(=O)OC)c(O)c1	793358125	MOMXLWPLOINNPP-SECBINFHSA-N	253.298	1.442	10	20	CDCD	
CCOc1cccc(CN2CC[C@@H](S(C)(=O)=O)C2)c1O	282670981	HOWPSKOOELYDLE-GFCCVEGCSA-N	299.392	1.410	10	20	CDCD	
Cn1cc(CCCNC(=O)c2cccc(O)c2O)cn1	188367955	KNTUCJLDXCIMJF-UHFFFAOYSA-N	275.308	1.194	10	20	CDCD	
Cc1n[nH]cc1CNCc1cc(F)cc(F)c1O	708535128	IOJGPWZIBXUIRV-UHFFFAOYSA-N	253.252	1.992	10	20	CDCD	
CN(C)c1cc(F)c(CNCCCC(=O)O)cc1F	1329243845	VVMIDFRFEOZGSF-UHFFFAOYSA-N	272.295	1.985	10	20	CDCD	
COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1F	1335666275	KMGGRHZKUFLXNR-UHFFFAOYSA-N	292.266	1.268	10	20	CDCD	
C[C@H](CNC(=O)NCc1ccc(N)cc1)CN1CCCC1	1335400739	SKKJZXQPIKFGDG-CYBMUJFWSA-N	290.411	1.800	10	20	CDCD	
O=C(O)c1cc(CNC(=O)c2cc(O)cs2)ccn1	1602258581	IBGKNOYJBCFYBJ-UHFFFAOYSA-N	278.289	1.477	10	20	CDCD	
CCOCc1cc(CNCCC(=O)O)ccc1OC	1603841577	AQZOPZFCPQWNMR-UHFFFAOYSA-N	267.325	1.796	10	20	CDCD	
O=C(O)Cc1occc1C(=O)NCc1cccc(O)c1O	1608794072	FWSVLUDVTKUFHA-UHFFFAOYSA-N	291.259	1.248	10	20	CDCD	
Cc1cc(O)nc(NC(=O)Cc2ccc(N)cc2)c1	1579628586	RBZKYDPRUYNKSA-UHFFFAOYSA-N	257.293	1.859	10	20	CDCD	
O=C(NCc1cccc(Cl)c1O)[C@]12CNC[C@@H]1C2	1580718408	GVZXVLFTADUKPN-TVQRCGJNSA-N	266.728	1.271	10	20	CDCD	
O=C(Cc1ccc(O)c(O)c1)Nc1cc(C(=O)O)ccn1	1594707859	PHLMDMFHBNCJQT-UHFFFAOYSA-N	288.259	1.372	10	20	CDCD	
c1cc2c(cc1CNCCO[C@@H]1CCOC1)CCO2	922938663	HTXYEWPPOXMZBK-CQSZACIVSA-N	263.337	1.517	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CC[C@@H](O)[C@@H](C)C2)c1O	230635653	UPCIOPBHEKNMAY-LKFCYVNXSA-N	281.327	1.937	10	20	CDCD	
O=C(N[C@H]1CCN(C2CC2)C1)c1cccc(O)c1O	126355560	CJQAPTMHQFCQAH-VIFPVBQESA-N	262.309	1.064	10	20	CDCD	
CC(C)NCC(=O)N(C)Cc1ccc(N(C)C)cc1	37495144	DDSYLMOUNUJJTJ-UHFFFAOYSA-N	263.385	1.709	10	20	CDCD	
C[C@H](CCCO)CNC(=O)c1cccc(O)c1O	295309968	CFQKOGBQFFVEPC-SECBINFHSA-N	253.298	1.236	10	20	CDCD	
CCN1C[C@@H](NCc2ccc(OC)c(C)c2)CC1=O	391479535	MXMMDZQTWFLHFR-ZDUSSCGKSA-N	262.353	1.714	10	20	CDCD	
COc1cccc(O)c1CN1C[C@@H](C)[C@H](C(=O)O)C1	1599680125	AYLKZJBEMRVTPJ-NXEZZACHSA-N	265.309	1.553	10	20	CDCD	
CN(C)c1ccc(CNC(=O)Nc2ccnn2C)cc1F	124873323	GNXQCFFYUKYFJW-UHFFFAOYSA-N	291.330	1.947	10	20	CDCD	
CCN(C)C(=O)[C@@H](C)NCc1cccc(C)c1O	188490794	HSNFBXVHNPOTGI-LLVKDONJSA-N	250.342	1.657	10	20	CDCD	
O=C(CCn1cncn1)NCc1ccc(N2CCCC2)cc1	41365107	YAYXTEVXANECPO-UHFFFAOYSA-N	299.378	1.585	10	20	CDCD	
COc1ccc(CNC[C@H]2CCCOC2)c(O)c1	40906818	WPPZVHKAIBNZJT-LLVKDONJSA-N	251.326	1.917	10	20	CDCD	
CCOC(=O)CC(=O)NCc1ccc(N(C)C)c(F)c1	194611469	GITYECOPLKJOJC-UHFFFAOYSA-N	282.315	1.461	10	20	CDCD	
COc1ccc(O)c(CN2CCN(CC(C)C)C(=O)C2)c1	190099371	GGVRXMLVVWBQQJ-UHFFFAOYSA-N	292.379	1.701	10	20	CDCD	
CCN(CC(N)=O)c1ccc(/C=C/C(=O)O)cc1[N+](=O)[O-]	231823974	GHTHGTYJUJPXCU-GQCTYLIASA-N	293.279	1.004	10	20	CDCD	
C[C@@H](NC[C@H]1CCOC1)c1cc([N+](=O)[O-])ccc1O	273302219	BPIIGPYEOCGTPL-NXEZZACHSA-N	266.297	1.988	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)NCC(C)(C)O)c1	273612113	WGWPJWLOVKHICG-SECBINFHSA-N	267.325	1.600	10	20	CDCD	
O=C1N[C@@H](c2cc(F)ccc2O)N2CCSC[C@H]12	270761664	DMEBDHQURFVFQN-MWLCHTKSSA-N	268.313	1.077	10	20	CDCD	
COCCCONC(=O)NCc1ccc(N(C)C)c(F)c1	288054022	PJJIVBXUMSPIIJ-UHFFFAOYSA-N	299.346	1.659	10	20	CDCD	
Cc1ccc(C(=O)N[C@H](CO)CC2CCC2)c(O)c1O	280213357	KVUIBCAOQWCTJL-NSHDSACASA-N	279.336	1.687	10	20	CDCD	
COC(=O)[C@@H]1CC[C@@H]1C(=O)N(C)Cc1ccccc1O	285603167	IQEKKJFYWPFUPT-NWDGAFQWSA-N	277.320	1.550	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[C@@H](O)CC1	294705334	GTCHYAXDYNHCLP-FVOPLDGLSA-N	277.320	1.484	10	20	CDCD	
CON(CC1CCOCC1)C(=O)c1cc(O)cs1	802665366	LWCQXSQOKSYJBV-UHFFFAOYSA-N	271.338	1.884	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)Nc2cnnn2C)c1	809905505	ABSPHFVEVPZGBZ-QMMMGPOBSA-N	291.311	1.412	10	20	CDCD	
CCOc1ccc(N(CC)C[C@H](O)COCCOC)cc1	295663792	IOPLRSSVZMQNHQ-HNNXBMFYSA-N	297.395	1.936	10	20	CDCD	
O=C1NC(=S)S/C1=C\c1cnn(CC(F)F)c1	814183572	KSEGFBQODXIYJG-BHQIHCQQSA-N	275.305	1.637	10	20	CDCD	
Cc1nccc(CCC(=O)NCc2ccccc2O)n1	815833221	CTMSXLQZFFZBLW-UHFFFAOYSA-N	271.320	1.740	10	20	CDCD	
Cc1nnsc1CNC(=O)/C=C/c1ccc(O)c(O)c1	817020222	HWENGJPMBRSXNM-HWKANZROSA-N	291.332	1.587	10	20	CDCD	
CSC[C@@H](O)CNCCCSc1nccs1	819064412	WVRPWQUPPYWGDD-VIFPVBQESA-N	278.468	1.939	10	20	CDCD	
CCOC[C@H](O)CNCc1ccc(N2CC=CC2)cc1	819097164	YJMAYGOJNFBCPG-MRXNPFEDSA-N	276.380	1.550	10	20	CDCD	
CSC[C@H](CCO)NC(=O)c1c(F)ccc(O)c1O	827419895	IAVNOBKIKYZBKK-ZETCQYMHSA-N	289.328	1.081	10	20	CDCD	
CC[C@@H](CO)N(C)Cc1ccc(N2CCOCC2)c(F)c1	824533961	UYPRKZHKFOIXTM-AWEZNQCLSA-N	296.386	1.865	10	20	CDCD	
CN(C[C@@H]1CC2(CCNCC2)CO1)c1ccc(N)cc1	903770208	DWBNOSBSRVLZDC-HNNXBMFYSA-N	275.396	1.864	10	20	CDCD	
C[C@H]1NCC[C@@H]1C(=O)NCc1c(O)ccc2c1CCCC2	830597639	RLYSRFBINJGCCK-YPMHNXCESA-N	288.391	1.885	10	20	CDCD	
CO[C@@H]1CCC[C@H]1NC(=O)/C=C/c1ccc(O)c(O)c1	836849848	ZDZBHRVXXXPOPE-VLPCURTJSA-N	277.320	1.795	10	20	CDCD	
COC[C@H](C)NC(=S)N(C)Cc1ccccc1O	917581825	ZBYZPEOXVWGFPB-JTQLQIEISA-N	268.382	1.733	10	20	CDCD	
O=C(NCc1ccccc1O)c1ccc(-n2cncn2)nc1	748347142	XCEOILWLIBXXQB-UHFFFAOYSA-N	295.302	1.298	10	20	CDCD	
CCOCCCNC(=N)NCc1ccc(OC)cc1O	849025137	PDUSSTDXNFYSCQ-UHFFFAOYSA-N	281.356	1.441	10	20	CDCD	
COCCCN(C)c1ccc(OCC(=O)O)cc1	846279860	OOMLKXAZLARYLJ-UHFFFAOYSA-N	253.298	1.623	10	20	CDCD	
C[C@@H](Cn1cccn1)NC[C@H](N)c1ccc(N(C)C)cc1	841045176	JAVQCRHSFDYDCT-BBRMVZONSA-N	287.411	1.627	10	20	CDCD	
CCNCCNCc1ccc(N2CCOCC2)c(F)c1	841037720	UCHZFMFCQFYIJJ-UHFFFAOYSA-N	281.375	1.361	10	20	CDCD	
CCc1cccc(CN2CCO[C@@H](CNC(C)=O)C2)c1O	848887192	QABBEHXLZARECV-HNNXBMFYSA-N	292.379	1.292	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N[C@H](CCO)C2CC2)cc1	741267198	TWEYEAXWRNWDPN-OAHLLOKOSA-N	291.395	1.713	10	20	CDCD	
CCc1cccc(CN2CCC(OCCO)CC2)c1O	848891285	YPDSZOWFUUIJQY-UHFFFAOYSA-N	279.380	1.928	10	20	CDCD	
CNC[C@@H]1C[C@H](F)CN1Cc1cccc(C)c1O	843122806	VCDXTVHNHLRQAM-STQMWFEESA-N	252.333	1.832	10	20	CDCD	
CCOCCNC(=O)CN1CCCc2cc(CN)ccc21	843350507	OJMXRQVNPQPNCK-UHFFFAOYSA-N	291.395	1.051	10	20	CDCD	
CO[C@@H]1COC[C@H]1NCc1c(O)ccc(Cl)c1F	842749331	BGEBHFWXWWKPHY-MWLCHTKSSA-N	275.707	1.688	10	20	CDCD	
CCCOC(=O)[C@@H](C)OC(=O)c1cccc(O)c1O	758571122	CNLLMKZQTXXOIQ-MRVPVSSYSA-N	268.265	1.596	10	20	CDCD	
CCCN(CC(=O)N(C)C)C(=O)c1cc(O)cs1	757916348	QXDWFOJHHDAZLG-UHFFFAOYSA-N	270.354	1.394	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@H]2CCCN2C(C)C)c1	934943905	VXBLNXIOUQWYQX-CQSZACIVSA-N	292.379	1.890	10	20	CDCD	
CC(=O)N[C@H](CC(C)C)C(=O)N(C)Cc1ccccc1O	860047700	JWEXKZWHSSJGEG-CQSZACIVSA-N	292.379	1.901	10	20	CDCD	
C[C@H](N)CN(C)C(=O)NCc1ccc(N(C)C)c(F)c1	861568479	TWCOERZHFBNYKY-JTQLQIEISA-N	282.363	1.380	10	20	CDCD	
CN(C(=O)[C@H]1CC12CCNCC2)c1ccc(N)cc1	877077435	ICVMPXXQPDLGHD-CYBMUJFWSA-N	259.353	1.621	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@H]2CCOC(=O)N2)cc1F	1118811570	CMEDYLWPQWCYAP-NSHDSACASA-N	295.314	1.006	10	20	CDCD	
COc1ccc(CN[C@@H](C)C[C@@H]2CCCC(=O)N2)c(O)c1	877493154	HICZICCLEVNJDM-AAEUAGOBSA-N	292.379	1.938	10	20	CDCD	
C[C@@H]1CCCN(C(=O)C(=O)N(C)c2ccc(N)cc2)C1	877075507	DXGPPOBWHXNKQX-LLVKDONJSA-N	275.352	1.490	10	20	CDCD	
COCC[C@@H](CO)N[C@H](C)c1c(O)cccc1F	886604993	HJSRVFWNDSIJIQ-ZJUUUORDSA-N	257.305	1.579	10	20	CDCD	
C[C@H](NC[C@@H](C)S(C)(=O)=O)c1c(O)cccc1F	886555337	PVQDDSZDQQUZJT-BDAKNGLRSA-N	275.345	1.615	10	20	CDCD	
COc1cc(C)cc(CN2CC(O)(C(C)C)C2)c1O	894971436	YPBXOHVAZARKLJ-UHFFFAOYSA-N	265.353	1.912	10	20	CDCD	
COc1cc(C)cc(CNC[C@@H]2CN(C)CCN2C)c1O	894255820	JPUGBJIAEMWOHU-CQSZACIVSA-N	293.411	1.045	10	20	CDCD	
CC[C@@H]1C(=O)NCCCN1Cc1ccc(C)cc1O	898547364	GXTGMQDSXSVNJH-CYBMUJFWSA-N	262.353	1.801	10	20	CDCD	
C[C@H]1CC(=O)NCCN1Cc1cc(F)cc(F)c1O	894783584	WADAEYJBUBUJFG-QMMMGPOBSA-N	270.279	1.381	10	20	CDCD	
O=C1CCCN1[C@@H]1CCN(Cc2cc(F)cc(F)c2O)C1	894545974	ZEKPSQNAARRXJA-GFCCVEGCSA-N	296.317	1.867	10	20	CDCD	
CCO[C@@H]1C[C@@H](NCc2cc(F)cc(F)c2O)[C@@H]1OC	894466944	QFMNWUMNPWWEOQ-BZPMIXESSA-N	287.306	1.952	10	20	CDCD	
CN(Cc1ccccc1O)Cc1nnc2n1CCOC2	797972978	JEELQCVDLLHDPU-UHFFFAOYSA-N	274.324	1.146	10	20	CDCD	
COc1cccc(CNC(=O)c2csc(O)n2)c1O	792238876	WZQMNYPUFDZWHS-UHFFFAOYSA-N	280.305	1.493	10	20	CDCD	
O=C(Nc1c(Cl)ccc2nonc12)c1ccncn1	1325344773	IAVRGPHANIPMHV-UHFFFAOYSA-N	275.655	1.919	10	20	CDCD	
Nc1ccc(CN2CC(=O)N(CC(F)(F)F)C2)cc1	1336117608	PIRMREAUQZJNCW-UHFFFAOYSA-N	273.258	1.433	10	20	CDCD	
C[C@@]1(C(=O)O)CCCN1C(=O)Cc1ccc(O)c(O)c1	1607447504	LNOZFIQVVKJSFT-AWEZNQCLSA-N	279.292	1.106	10	20	CDCD	
C[C@H](NC[C@@H]1CCOC1)c1cc(C(=O)O)ccc1O	1604339335	XIHYBTBTSXPLTF-UWVGGRQHSA-N	265.309	1.778	10	20	CDCD	
O=C(O)[C@@H](C(=O)NCc1cc(Cl)ccc1O)C1CC1	1605897964	FLIQBTRMBSJZPT-LLVKDONJSA-N	283.711	1.773	10	20	CDCD	
CCN(Cc1cnn[nH]1)Cc1cc(F)c(F)cc1O	1576544167	PPBFJDOLKXEKIZ-UHFFFAOYSA-N	268.267	1.811	10	20	CDCD	
C[C@H]1[C@H](C(=O)O)CCN1C(=O)c1c(F)ccc(O)c1O	1594156203	KEAZOWRIEMVSLB-NKWVEPMBSA-N	283.255	1.172	10	20	CDCD	
COc1ccc(CNCCC(C)(C)C(=O)O)c(O)c1OC	1594094635	RBHBGXOACDYXLC-UHFFFAOYSA-N	297.351	2.000	10	20	CDCD	
Nc1ccc(CC(=O)N[C@H]2CCC[C@H]3OCC[C@H]23)cc1	163109738	VXLLPVVEJUPFCJ-QLFBSQMISA-N	274.364	1.885	10	20	CDCD	
CCCNC(=O)CNCc1ccc2c(c1)CCCO2	921489572	LGTPRKVORFEBJF-UHFFFAOYSA-N	262.353	1.627	10	20	CDCD	
COc1cccc(CN(C)C[C@H]2COCCO2)c1O	827140322	JZUSNYRZRIMXPJ-LBPRGKRZSA-N	267.325	1.248	10	20	CDCD	
O=C(CNCc1c(O)cccc1Cl)NCC(F)(F)F	113324174	RUTKEHWVCMYWDC-UHFFFAOYSA-N	296.676	1.814	10	20	CDCD	
CCC(CC)[C@H](O)CNC(=O)Cc1ccc(N)cc1	226346960	YTTMGQJMQAFINX-CQSZACIVSA-N	264.369	1.725	10	20	CDCD	
CNC(=O)C(C)(C)CNCc1cccc(OC)c1O	120346851	VNQGGWKPUMNGND-UHFFFAOYSA-N	266.341	1.263	10	20	CDCD	
CO[C@H]1CN(Cc2cc(F)ccc2O)C[C@H]1OC	234864318	ALQMWSSXWCUKDU-BETUJISGSA-N	255.289	1.377	10	20	CDCD	
CC[C@@H](NCC1(O)CCN(C)CC1)c1ccccc1O	274743538	ANUNRSVGJCPBFK-CQSZACIVSA-N	278.396	1.890	10	20	CDCD	
CN(CC(C)(C)S(C)(=O)=O)C(=O)Cc1ccc(N)cc1	713925309	SQNFHCWFNPSRFV-UHFFFAOYSA-N	298.408	1.093	10	20	CDCD	
Cc1ccc(C)n1-c1ccc(C(=O)NC(CO)CO)cc1	119628869	JAUXGEYNXPCUEM-UHFFFAOYSA-N	288.347	1.177	10	20	CDCD	
Nc1ccc(NC(=O)c2cccnc2N2CCOCC2)cc1	178353018	HUVJVYHIIFZZEK-UHFFFAOYSA-N	298.346	1.753	10	20	CDCD	
CNC(=O)[C@@H]1CCCN(C(=O)c2ccc(C)c(O)c2O)C1	177684852	YVMAWLLUSQTBFV-SNVBAGLBSA-N	292.335	1.004	10	20	CDCD	
CCN(C)S(=O)(=O)NCc1ccc(N(C)C)c(F)c1	72708997	KBYSJPFEUBZPAH-UHFFFAOYSA-N	289.376	1.178	10	20	CDCD	
CO[C@H](C)CN(C)Cc1cc2c(cc1O)OCO2	285276183	ZFVRGDILISWKQV-SECBINFHSA-N	253.298	1.588	10	20	CDCD	
O=C(NCC1(C(=O)O)CCC1)c1cccc(O)c1O	126075417	KYCIFYKMHZEEOB-UHFFFAOYSA-N	265.265	1.083	10	20	CDCD	
Cc1cccc(CN[C@H](C)c2nnnn2C2CC2)c1O	191834420	SIHDNZATYMQGNS-SNVBAGLBSA-N	273.340	1.873	10	20	CDCD	
CO[C@@H](C)CNC(=O)NCc1ccc(N2CC=CC2)cc1	190587049	QXFWCMWCYMJZPF-ZDUSSCGKSA-N	289.379	1.897	10	20	CDCD	
CN1CCC[C@H]2CN(C(=O)c3cccc(O)c3O)CC[C@H]21	228932960	IUVGXEUDAGGSPL-WCQYABFASA-N	290.363	1.654	10	20	CDCD	
COc1ccc(N(C)CCN2C(=O)CCC2=O)cc1F	131439102	FLHDZGJNFDXXMZ-UHFFFAOYSA-N	280.299	1.420	10	20	CDCD	
COC(=O)[C@@H]1COCCN1Cc1ccc(N(C)C)c(F)c1	271202302	UQANXEXZZDIGIM-AWEZNQCLSA-N	296.342	1.266	10	20	CDCD	
C[C@@H]1CCCN(CCNC(=O)c2c(F)ccc(O)c2O)C1	276627401	SAEFFSUCKZVIRJ-SNVBAGLBSA-N	296.342	1.699	10	20	CDCD	
C[C@H]1NC(=O)N(Cc2ccc(N3CCCC3)cc2)C1=O	272025633	BQNNEJNAERTIOM-LLVKDONJSA-N	273.336	1.727	10	20	CDCD	
CCN(C)CCN[C@@H](C)c1cc(C(=O)OC)ccc1O	273394071	LOMSOYPOOCJLRX-NSHDSACASA-N	280.368	1.781	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)NCC(C)(C)C(N)=O)c1	273519114	TUBCPHCZNNREDH-SECBINFHSA-N	294.351	1.341	10	20	CDCD	
Cc1ccc(C(=O)NCC(C)(C)CCCO)c(O)c1O	273042481	VMSSTELMWORWPE-UHFFFAOYSA-N	281.352	1.935	10	20	CDCD	
COCCCOCC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	274893196	DIENTNUUEKVSOV-NSHDSACASA-N	297.351	1.198	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C1CCC(O)CC1	280210762	GBNCZZLDPOFMEG-PKSQDBQZSA-N	293.363	1.696	10	20	CDCD	
CN1CCCc2cc(CNC(=O)c3cnnn3C)ccc21	281980417	VRSNZSDSCIQYGE-UHFFFAOYSA-N	285.351	1.128	10	20	CDCD	
CCOc1ccc(CN(C)C[C@@H](O)C2CC2)c(O)c1	809752178	OUZRXDFAEWBTHA-OAHLLOKOSA-N	265.353	1.994	10	20	CDCD	
C[C@H](O)CCCNC(=O)c1c(F)ccc(O)c1O	295219735	MZRKIGYUKGDHHZ-ZETCQYMHSA-N	257.261	1.128	10	20	CDCD	
COC(=O)[C@@]1(NCc2ccc(N(C)C)c(C)c2)CCOC1	293726880	GDVJLPHPTJFDEM-MRXNPFEDSA-N	292.379	1.483	10	20	CDCD	
CC(C)N(Cc1ccc(N(C)C)cc1)S(=O)(=O)N(C)C	298848293	JJCJIQGZSZXXFV-UHFFFAOYSA-N	299.440	1.769	10	20	CDCD	
CCn1cc([C@H](C)NC(=O)c2cccc(O)c2O)cn1	296888144	IFHJJQSQZYHHGS-VIFPVBQESA-N	275.308	1.805	10	20	CDCD	
COC(=O)c1cnc(NCc2cccc(OC)c2O)nc1	804425340	WFXKQMKUNPFRIB-UHFFFAOYSA-N	289.291	1.590	10	20	CDCD	
C[C@H]1C[C@@H](CO)CN(Cc2cc3c(cc2O)OCO3)C1	817412053	BUZGNPVEKLVEHM-WDEREUQCSA-N	279.336	1.571	10	20	CDCD	
C[C@H](NCC[C@@H]1CCNC1)c1cc([N+](=O)[O-])ccc1O	817955222	SVFLWUDVEUJKET-QWRGUYRKSA-N	279.340	1.951	10	20	CDCD	
Oc1cccc2c1[C@@H](NC[C@H]1CNCCCO1)CC2	817982663	VHHXNUWHJSPTFL-OLZOCXBDSA-N	262.353	1.348	10	20	CDCD	
COCCCOCCC(=O)NCc1cccc(OC)c1O	830540499	LESZLTLDNVZUGC-UHFFFAOYSA-N	297.351	1.460	10	20	CDCD	
CC[C@](NC(=O)c1cc(O)cs1)(C(N)=O)C(C)C	831957068	NCTNTEUJWSQLQR-GFCCVEGCSA-N	270.354	1.474	10	20	CDCD	
CC(C)[C@@H](NC(=O)O)C(=O)NCc1ccc(N(C)C)cc1	736370334	OFEVTURORWRLOB-CYBMUJFWSA-N	293.367	1.661	10	20	CDCD	
CCn1cnc(C(=O)NCc2cccc(OC)c2O)c1	830540632	MNXYFSWMFXVIGQ-UHFFFAOYSA-N	275.308	1.547	10	20	CDCD	
O=[N+]([O-])c1ccc(O)c(CNCCOC2CCC2)c1	742385869	ZEXJLRJSBKQOAC-UHFFFAOYSA-N	266.297	1.959	10	20	CDCD	
FC[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)CCO1	840954458	JSIFQEPMZHGISH-MRXNPFEDSA-N	294.370	1.694	10	20	CDCD	
COc1ccc(CNC(=O)CCNC2CC2)c(O)c1	848429849	WPVPNWVWANLGEI-UHFFFAOYSA-N	264.325	1.159	10	20	CDCD	
C[C@@H](CO)C1CCN(C(=O)c2cc(O)cs2)CC1	846661604	VPXCOBNDUBZWIB-VIFPVBQESA-N	269.366	1.934	10	20	CDCD	
OC[C@@H]1CN(Cc2cc(Cl)cc(F)c2O)CC[C@@H]1O	840974752	FYAUORJMSNBLNJ-CABZTGNLSA-N	289.734	1.360	10	20	CDCD	
CCc1cccc(CNCC[C@@]2(O)CCCOC2)c1O	848919375	XDROTGOFVVAEGV-INIZCTEOSA-N	279.380	1.976	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N1CCO[C@H](CF)C1	840482628	CGRWHBXFHNQFSM-CJHWANRJSA-N	281.283	1.308	10	20	CDCD	
C[C@H]1NC(=O)N(CCSc2ncc(Cl)s2)C1=O	850001464	HMSKDFVZPJPMSS-RXMQYKEDSA-N	291.785	1.829	10	20	CDCD	
COc1ccc(N2CCN(C(=O)OCCF)CC2)cc1	858876994	YOTBCCWPKHTPEA-UHFFFAOYSA-N	282.315	1.923	10	20	CDCD	
C[C@@H](NCc1ccc(C(N)=O)nc1)c1ccc(F)cc1O	756639768	CXVJOCMNTIEPJB-SECBINFHSA-N	289.310	1.876	10	20	CDCD	
CON1CCC(NC(=O)NCc2cc(C)ccc2O)CC1	858548899	RMACDBGCTITRIN-UHFFFAOYSA-N	293.367	1.526	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)c2cnn(C(C)C)c2N)c1	862756177	SCTGEXUCIZGJHR-UHFFFAOYSA-N	288.351	1.990	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2cnn3ncccc23)c1	765986502	QELNKSDCBXCJOY-UHFFFAOYSA-N	298.302	1.374	10	20	CDCD	
COCC(=O)N[C@H](C(=O)N(C)c1ccc(N)cc1)C(C)C	877077399	GLMSNXJGXFMTRL-AWEZNQCLSA-N	293.367	1.019	10	20	CDCD	
C[C@@H](N[C@@H]1CCOC[C@H]1O)c1cc(Cl)ccc1O	872140878	BQMJQGMAYDLQAL-XTWCZFFVSA-N	271.744	1.846	10	20	CDCD	
CCOC(=O)[C@@H]1CSCCN1Cc1ccccc1O	778995143	QYPUACNBIZJZSR-LBPRGKRZSA-N	281.377	1.873	10	20	CDCD	
Nc1ccc(OCc2cn(CC3(O)CCCC3)nn2)cc1	881413528	FWEXMHMXJCHZOS-UHFFFAOYSA-N	288.351	1.744	10	20	CDCD	
C[C@@H](NC[C@@]1(O)CCN(C)C1)c1c(O)cccc1F	886590148	ORHSYBPKBMYDCJ-YGRLFVJLSA-N	268.332	1.249	10	20	CDCD	
C[C@H]1CN(C)C(=O)CN1Cc1ccc(N(C)C)cc1	783733171	KAQLHKIVRZVLOS-LBPRGKRZSA-N	261.369	1.415	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)OCCCn1ccnc1	784286438	LJEJKFYPKJGHMX-HWKANZROSA-N	288.303	1.941	10	20	CDCD	
CC[C@@H]1C(=O)NCCCN1Cc1ccc(N(C)C)c(F)c1	898545067	HKMRMPGXWJCXJC-CQSZACIVSA-N	293.386	1.992	10	20	CDCD	
Oc1c(F)cc(Cl)cc1CNC[C@H]1COCO1	894876681	TUIIBULOZVGNEX-VIFPVBQESA-N	261.680	1.647	10	20	CDCD	
COc1ccc(CNC(=O)N[C@H](C)C2CC2)c(O)c1	792778993	YCIJHBVMFOMRHP-SECBINFHSA-N	264.325	1.999	10	20	CDCD	
COc1ccc(CNC(=O)C(=O)C(C)(C)C)c(O)c1	794378010	SSUKDBJVABNHLU-UHFFFAOYSA-N	265.309	1.632	10	20	CDCD	
CC[C@H](NC[C@]1(O)CCOC1)c1ccc(C)cc1O	794815403	KKNJLSHHRQGPBH-DZGCQCFKSA-N	265.353	1.893	10	20	CDCD	
OC[C@@H](CC(F)F)N[C@@H]1CCc2cccc(O)c21	717743089	GZLLIRYZJAYSTM-NXEZZACHSA-N	257.280	1.985	10	20	CDCD	
CN1CC[C@@]2(CCN(C(=O)NCc3ccc(N)cc3)C2)C1	1335724106	GRYDOULENYSCGI-MRXNPFEDSA-N	288.395	1.506	10	20	CDCD	
C[C@@H]1CCN(CCNCc2cc(F)ccc2O)C1	779120221	FEAWGJFENWYLPG-LLVKDONJSA-N	252.333	1.963	10	20	CDCD	
CN(C[C@@H]1CCC[C@@H]1O)C(=O)NCc1ccc(N)cc1	1353539912	QKDGWBCVCMOYQY-JSGCOSHPSA-N	277.368	1.571	10	20	CDCD	
O=C(N[C@H]1CC[C@@H](C(=O)O)C1)c1cc(O)cs1	1601570725	SMHCERUQUOQIET-RQJHMYQMSA-N	255.295	1.437	10	20	CDCD	
Nc1ccc(CN(CC(=O)O)C2CCOCC2)cc1	1601216352	XHJCGQDTUROGKT-UHFFFAOYSA-N	264.325	1.334	10	20	CDCD	
C[C@H]1CN(Cc2cc(F)ccc2O)CC2(CCNCC2)O1	1576807675	UQRSBTTVLZFBOH-LBPRGKRZSA-N	294.370	1.874	10	20	CDCD	
CCc1cccc(CN[C@@H](C(=O)O)c2ccnn2C)c1O	1597586776	KABXVBJDVLSWPN-CYBMUJFWSA-N	289.335	1.604	10	20	CDCD	
C[C@H](NC[C@@H](C)N(C)C)c1cc(C(=O)O)ccc1O	1593239936	IMZIXUKQKXFULI-ZJUUUORDSA-N	266.341	1.691	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2ccc(F)nc2)c1	155993731	AAQBPWYFFBJEMV-UHFFFAOYSA-N	276.267	1.865	10	20	CDCD	
CCCn1nccc1C(=O)NCCc1ccc(N)cc1	851632748	WHBZGDKSQMSCNE-UHFFFAOYSA-N	272.352	1.848	10	20	CDCD	
NCCCOC1CCN(Cc2cc(F)ccc2O)CC1	220328256	DVIHHNSTVYKZRS-UHFFFAOYSA-N	282.359	1.861	10	20	CDCD	
CNC(=O)CCCNCc1c(O)cccc1Cl	264937166	DTFBHWOLGKOUPT-UHFFFAOYSA-N	256.733	1.661	10	20	CDCD	
COC[C@@H](C)CNCc1ccc(N2CCOCC2)cc1	44478649	XXMKAGXFFFNUCC-AWEZNQCLSA-N	278.396	1.895	10	20	CDCD	
COCC1(NCc2cc3c(cc2O)OCO3)CCC1	283941887	JRMJYFVDORABSN-UHFFFAOYSA-N	265.309	1.780	10	20	CDCD	
Cc1ccc(O)c(CN2CCC(CS(C)(=O)=O)CC2)c1	292812831	OYFMLSVGJJVEOX-UHFFFAOYSA-N	297.420	1.957	10	20	CDCD	
CCN(CC)C(=O)CN[C@H]1CCc2cccc(O)c21	311732709	RISUDMVUOYGPBJ-LBPRGKRZSA-N	262.353	1.838	10	20	CDCD	
CCOc1cccc(CN2CCCO[C@@H](CN)C2)c1O	313356749	PBRVSGHUDCCTOR-ZDUSSCGKSA-N	280.368	1.341	10	20	CDCD	
Oc1cccc(Cl)c1CNC[C@@H]1CN2CCC[C@@H]2CO1	83552480	QFTJDBXOORTOFQ-VXGBXAGGSA-N	296.798	1.998	10	20	CDCD	
COc1cccc(CNC(=O)c2ncccc2O)c1O	105650452	QLVWHQVCTAWEJA-UHFFFAOYSA-N	274.276	1.431	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2ccn(C)c(=O)c2)c1	114541077	IABHAAWAACDKOC-UHFFFAOYSA-N	288.303	1.030	10	20	CDCD	
CN(Cc1cc(=O)n2nccc2[nH]1)Cc1ccccc1O	109771155	GZXYPCRLKOOQOD-UHFFFAOYSA-N	284.319	1.360	10	20	CDCD	
COc1ccc(O)c(CNC(=O)NCC(C)(C)OC)c1	174928331	KCJJIBCMDPJHRO-UHFFFAOYSA-N	282.340	1.625	10	20	CDCD	
Oc1ccc(CCNc2ncnc3[nH]ncc23)cc1O	301080820	NUQRCLGWJQMFND-UHFFFAOYSA-N	271.280	1.419	10	20	CDCD	
CCN1CC(=O)N[C@H]1c1cc(Br)ccc1O	189871180	HZLYPWDKTZVOOD-LLVKDONJSA-N	285.141	1.605	10	20	CDCD	
CNC(=O)c1ccc(NC(=O)c2cccc(O)c2O)cc1	186856952	IDMJCHRPNKNSMN-UHFFFAOYSA-N	286.287	1.710	10	20	CDCD	
O=C(Nc1nnc(-c2ccccn2)[nH]1)c1cccc(O)c1O	186950908	AVFOPQIWPOODDY-UHFFFAOYSA-N	297.274	1.530	10	20	CDCD	
CCOc1cccc([C@@H]2NC(=O)CN2CC)c1O	189860121	PMUUDPLOPPNRAR-CYBMUJFWSA-N	250.298	1.241	10	20	CDCD	
Cc1ccc(C(=O)N2CCCN(C)CC2)c(O)c1O	181770251	MVAHHFRNJPJBHI-UHFFFAOYSA-N	264.325	1.184	10	20	CDCD	
CC[C@@H](O)CCNC(=O)/C=C/c1ccc(O)c(O)c1	181210600	OSJBWSPQCBVWJC-DUMNWFOQSA-N	265.309	1.388	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CNCCO1	43710176	IMPUMWMOCQBLIA-HNNXBMFYSA-N	291.395	1.090	10	20	CDCD	
CC[C@@H](C)N/C=C1/C(=O)NC(=S)N(CC(C)C)C1=O	48402878	RKJUPTYCCUNJIW-WPVMNKCKSA-N	283.397	1.158	10	20	CDCD	
Nc1ccc(CC(=O)NCCOC[C@H]2CCCO2)cc1	238113212	TUOGUAMPFXLFPX-CQSZACIVSA-N	278.352	1.123	10	20	CDCD	
CCOC[C@@H](O)CN[C@@H](C)c1cc(OC)ccc1O	182434580	NSOLIANCEHYOCV-QWRGUYRKSA-N	269.341	1.449	10	20	CDCD	
COCCC(=O)NCc1ccc(N2CCOCC2)cc1	263833162	AICVSKTXKJYEIX-UHFFFAOYSA-N	278.352	1.176	10	20	CDCD	
Cc1c(CNC(=O)Cn2ccnc2)n(C)c2ccccc12	360458608	ZKHAJKFUUKKMBY-UHFFFAOYSA-N	282.347	2.000	10	20	CDCD	
CCOc1cccc(CN2C[C@@H](O)[C@H](CC)C2)c1O	271265159	IEENQVKFWGZWJY-DGCLKSJQSA-N	265.353	1.994	10	20	CDCD	
COc1cc(O)c(CNC2(CO)CCOCC2)cc1OC	271913454	YGPBJVBOYKDKMF-UHFFFAOYSA-N	297.351	1.041	10	20	CDCD	
COc1cccc(CNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)c1O	377779385	YBDBSOGFHVBENK-SLEUVZQESA-N	291.347	1.832	10	20	CDCD	
Cc1noc(C(C)(C)NC(=O)c2ccc(C)c(O)c2O)n1	285586562	AKLKCRLKXFQQLH-UHFFFAOYSA-N	291.307	1.763	10	20	CDCD	
CC[C@@H](CNS(C)(=O)=O)NCc1ccc2c(c1)CCO2	295127589	XNZHLOJFZFSOEI-ZDUSSCGKSA-N	298.408	1.039	10	20	CDCD	
CCOC(=O)CC[C@H](O)CNCc1ccc2c(c1)CCO2	818997385	ZEUAPHFIOHKQLY-AWEZNQCLSA-N	293.363	1.415	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)NC[C@@H](C)CN)c1	817961848	DOSBEZKGQHUCGR-VHSXEESVSA-N	266.341	1.424	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@]2(F)CCNC2)cc1	825973754	PIHSQZJJCZNWNC-CQSZACIVSA-N	265.332	1.070	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)c2cnccn2)c1	728985331	WMQHOQNDKMTFFZ-VIFPVBQESA-N	273.292	1.682	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@H](C)NC2CC2)c1	828666755	IFMAQEXJKVZNAD-UWVGGRQHSA-N	278.352	1.719	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1cnnc(O)c1	827962556	OAZYSOXMVRHXJD-UHFFFAOYSA-N	286.335	1.487	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)C(OC)OC)c1	821065101	KZYRIXHPFKRPNJ-MRVPVSSYSA-N	269.297	1.197	10	20	CDCD	
CC[C@@H](O)[C@@H](C)C(=O)NCc1cccc(OC)c1O	901127547	KNWNDAZROUSRGA-MWLCHTKSSA-N	267.325	1.424	10	20	CDCD	
C[C@@H](C(N)=O)N(C)c1ccc(/C=C\C(=O)O)cc1[N+](=O)[O-]	833407311	JPPFZJKPGGTENM-HORMHSFOSA-N	293.279	1.003	10	20	CDCD	
O=C(NCCOC[C@@H]1CCCO1)c1cc(O)cs1	734552597	HNNFLEUJZDGQHS-JTQLQIEISA-N	271.338	1.379	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)[C@@H]1C[C@H]2CC[C@@H]1O2	910945385	UOHVVPKJBRRKBL-WZRBSPASSA-N	263.293	1.282	10	20	CDCD	
COc1cccc(CNC2(C)CCNCC2)c1O	841066266	YWHJJGLOHPMIAQ-UHFFFAOYSA-N	250.342	1.633	10	20	CDCD	
COc1ccc(N2CC[C@@H](NC(=O)CCC(=O)O)C2)cc1	849183369	PMRQLZILYBCPQX-LLVKDONJSA-N	292.335	1.255	10	20	CDCD	
C[C@H](CNC(=O)NCCc1ccc(N)cc1)C[C@@H](C)O	841954179	JMKNTZIMXSJGMY-NWDGAFQWSA-N	279.384	1.518	10	20	CDCD	
CC(C)COC[C@H](O)CNC(=O)c1cc(O)cs1	748403854	BHKCONDSGVIDHB-SNVBAGLBSA-N	273.354	1.217	10	20	CDCD	
COC(=O)[C@H]1C[C@@H](NC(=O)N(C)Cc2ccccc2O)C1	840454008	UDZUQIQZSXHQPT-TXEJJXNPSA-N	292.335	1.485	10	20	CDCD	
CN(Cc1ccccc1O)c1cnc(N2CCCC2=O)cn1	853462538	YAIZBOSHJKTXED-UHFFFAOYSA-N	298.346	1.945	10	20	CDCD	
CCCN1CC[C@H](NC(=O)NCCc2ccc(N)cc2)C1	851665051	PEMAHCDLTRNHJV-HNNXBMFYSA-N	290.411	1.595	10	20	CDCD	
CON(C)C(=O)[C@H](C)N[C@@H]1CCc2cccc(O)c21	858580677	UEKJBDGYIDANIV-GXSJLCMTSA-N	264.325	1.377	10	20	CDCD	
O=S(=O)(NCc1ccc(O)cc1O)C1CCCCC1	867417192	NQARGLOOQDLGKO-UHFFFAOYSA-N	285.365	1.850	10	20	CDCD	
Oc1cc2c(cc1CN1CCOC3(CCC3)C1)[C@H](O)CO2	768464588	CKZPGDNGPXDDQG-CQSZACIVSA-N	291.347	1.573	10	20	CDCD	
O=C(Cc1ccco1)NCCc1ccc(O)c(O)c1	762273835	CYWSFBPQNBNIGF-UHFFFAOYSA-N	261.277	1.592	10	20	CDCD	
Cc1ccc(CN(C)CCN2CCOCC2)c(O)c1	876681512	UDNBNPMTHCZGEB-UHFFFAOYSA-N	264.369	1.465	10	20	CDCD	
CC[C@H](O)CCCNC(=O)/C=C\c1ccc(O)c(O)c1	779526849	ZCFXICFJJRKVOM-VFFGBVLKSA-N	279.336	1.778	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCCCN(C)C	773739718	JCEUDPYNLPMZEZ-GFCCVEGCSA-N	294.395	1.877	10	20	CDCD	
C[C@@H](O)CCN(C)Cc1ccc(N2CCC(O)CC2)cc1	876746793	XGBPQTXCWHKHCG-CQSZACIVSA-N	292.423	1.850	10	20	CDCD	
CCCn1cc(C(=O)NCc2ccc(O)c(O)c2)nn1	778927595	QAKXOPSOWJINRQ-UHFFFAOYSA-N	276.296	1.029	10	20	CDCD	
C[C@H](NC(=O)c1cnn(C)c1)c1ccc(N(C)C)cc1	773015523	PIRXBENQOZBHIE-NSHDSACASA-N	272.352	1.977	10	20	CDCD	
CCC[C@@H](CNC(=O)NCc1ccc(N)cc1)OC	1120624497	QAQJLMKCUOKLNT-ZDUSSCGKSA-N	265.357	1.883	10	20	CDCD	
C[C@@H](c1ccc(N2CCOCC2)cc1)N1C(=O)CNC1=O	777625397	MLGBBIUCKGBRTJ-NSHDSACASA-N	289.335	1.136	10	20	CDCD	
CCC[C@@](C)(CO)NC(=O)NCc1ccc(N)cc1	1120591946	NKBSQDWAUJMIKW-AWEZNQCLSA-N	265.357	1.619	10	20	CDCD	
C[C@H](O)CN1CCN(Cc2ccc(N)cc2)[C@H](C)C1	1120269339	QEERJKOBGSJKPD-OLZOCXBDSA-N	263.385	1.156	10	20	CDCD	
NC(=O)CCCC(=O)NCCCSc1nccs1	787350356	PUXSTLJCPOOXKA-UHFFFAOYSA-N	287.410	1.397	10	20	CDCD	
CN(C)c1noc(CNCc2ccc3c(c2)CCCO3)n1	893674113	CUWGVECAFMOXPC-UHFFFAOYSA-N	288.351	1.750	10	20	CDCD	
O=[N+]([O-])c1cc(Cl)cc(CNC[C@H]2COCO2)c1O	894873291	QFIYLOATGVSDJY-VIFPVBQESA-N	288.687	1.416	10	20	CDCD	
COC[C@@H](NCc1ccc(N(C)C)c(F)c1)C(=O)OC	789577556	VYJDKYCYRAHYKC-GFCCVEGCSA-N	284.331	1.169	10	20	CDCD	
COc1cc(C)cc(CNC[C@@H]2CCCO2)c1O	894146755	VYVVSVSQNDODCP-LBPRGKRZSA-N	251.326	1.978	10	20	CDCD	
COc1cc(C)cc(CN[C@@H](CO)C2CC2)c1O	894270211	UIIJTYSTMFWHSI-LBPRGKRZSA-N	251.326	1.570	10	20	CDCD	
CN(C)c1ccc([C@@H](CNC(=O)N2CCC2)N(C)C)cc1	899102989	UCXLBRRQSJNNGI-OAHLLOKOSA-N	290.411	1.771	10	20	CDCD	
CO[C@H](C(=O)OCC(=O)c1ccc(O)c(O)c1)C1CC1	795833223	QBRJSAYHKKRMLU-ZDUSSCGKSA-N	280.276	1.249	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@H]2C[C@@H]2C(=O)O)cc1	37792151	RPBCRLMQTQCHFM-NEPJUHHUSA-N	262.309	1.090	10	20	CDCD	
CN(C)c1ccc(CN[C@H]2CCCC[C@@H]2C(N)=O)cc1	273396517	LEPCIOCWSFOWGG-GJZGRUSLSA-N	275.396	1.886	10	20	CDCD	
CS[C@H](C)CNC(=O)C(=O)N(C)Cc1ccccc1O	1325210938	VAZWAGSQCZRTNT-SNVBAGLBSA-N	296.392	1.218	10	20	CDCD	
CCOc1ccc(N2CCN(CC[S@](C)=O)CC2)cc1	1326780240	JXSJBWVRIVZASX-FQEVSTJZSA-N	296.436	1.586	10	20	CDCD	
Cc1ccc(O)c(CNS(=O)(=O)N2CC[C@@H](C)C2)c1	1329238078	DCXBBJUAUWFDPT-LLVKDONJSA-N	284.381	1.377	10	20	CDCD	
C[C@H](NCc1ccc(N(C)C)cc1)c1cn(C)nn1	715833889	BDDXEKOXWIUPIN-NSHDSACASA-N	259.357	1.732	10	20	CDCD	
Nc1ccc(CN2CCS(=O)(=O)C[C@@H]2C2CCC2)cc1	1336117392	LUSGIDAGWRTEFB-OAHLLOKOSA-N	294.420	1.668	10	20	CDCD	
CCO[C@@H]1C[C@H](NC(=O)NCc2ccc(N)cc2)[C@@H]1OC	1338596592	RRUHNTLKRQHQEE-MJBXVCDLSA-N	293.367	1.260	10	20	CDCD	
CC[C@H]1CN(c2nnc(-c3sccc3O)n2C)CCO1	1339574773	VKTRVBXUZIIDHU-VIFPVBQESA-N	294.380	1.864	10	20	CDCD	
CN(Cc1ccc(N)cc1)C(C)(C)CN1CCOCC1	1352791095	UXUBLHHEZVBOHH-UHFFFAOYSA-N	277.412	1.811	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1cc[nH]c(=O)c1	152835724	SWIMYMSYTAMRSQ-UHFFFAOYSA-N	285.347	1.713	10	20	CDCD	
COC[C@@H](C)OC[C@@H](O)CN(C)c1ccc(OC)cc1	844353213	RAEDRUXBCUILNY-OCCSQVGLSA-N	283.368	1.544	10	20	CDCD	
CCc1cccc(CN2CC[C@@H](C(=O)N(C)C)C2)c1O	848916734	LQWDUIZQYGICMM-CQSZACIVSA-N	276.380	1.865	10	20	CDCD	
CCOc1cccc(CN2CCO[C@H]([C@H](C)N)C2)c1O	252685365	IAKWVHRIEWHOCA-FZMZJTMJSA-N	280.368	1.339	10	20	CDCD	
CCOc1cccc(CN2CC[C@@H](C(N)=O)C2)c1O	157128393	KKXVKQZJSKDKCI-LLVKDONJSA-N	264.325	1.098	10	20	CDCD	
Cc1ccc([C@@H](C)N[C@H]2CCCN(C)C2=O)c(O)c1	704337408	DDXCDMKZVXFMGU-YPMHNXCESA-N	262.353	1.972	10	20	CDCD	
CCN1C[C@H](NCc2cccc(OC)c2O)CC1=O	391516558	QQZMJTFVPGVWJR-LLVKDONJSA-N	264.325	1.111	10	20	CDCD	
C[C@H]1COCCCN1Cc1cc2c(cc1O)OCO2	398948055	QMEIWCQKASNFDZ-JTQLQIEISA-N	265.309	1.732	10	20	CDCD	
COc1cccc(CNC(=O)[C@H]2CCCN2C)c1O	105650936	HZUHOZCGCYGIEN-LLVKDONJSA-N	264.325	1.111	10	20	CDCD	
COc1cccc(CN[C@@H](C)[C@@H]2CCOC2)c1O	135213549	ZKNVKHWQELYFSB-CMPLNLGQSA-N	251.326	1.915	10	20	CDCD	
O=C(c1cccc(O)c1O)N1CC[C@H](N2CCCCC2)C1	126403820	BNEVFHOJQNOANC-LBPRGKRZSA-N	290.363	1.798	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)CCC(C)(C)N	70087788	MFARZPAXYGAEOI-UHFFFAOYSA-N	250.342	1.868	10	20	CDCD	
Oc1ccccc1CN1CCC(C2OCCO2)CC1	180057329	YJFPRDIEZBEDNU-UHFFFAOYSA-N	263.337	1.977	10	20	CDCD	
CC[C@H](N[C@@H](CCO)COC)c1ccccc1O	229556265	LOMSFTVMJRKKBF-AAEUAGOBSA-N	253.342	1.830	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@@H]1CCCCC(=O)N1	194323728	JOFVQRMTFJCVRH-LBPRGKRZSA-N	276.336	1.409	10	20	CDCD	
C[C@H]1CN(C[C@@H](C)O)CCN1Cc1ccc(N(C)C)cc1	192805205	OXPIJWPPFZOZKK-LSDHHAIUSA-N	291.439	1.640	10	20	CDCD	
Cc1cccc(CN(C)[C@H](C)CS(C)(=O)=O)c1O	180236279	SCKVMZGYKTVKFB-LLVKDONJSA-N	271.382	1.566	10	20	CDCD	
Cc1ccc([C@H](C)NC[C@H](O)c2cnn(C)c2)c(O)c1	273467204	FAVLWSRJDZVKBW-NHYWBVRUSA-N	275.352	1.818	10	20	CDCD	
C[C@H](N[C@@H]1CCCCNC1=O)c1cc([N+](=O)[O-])ccc1O	273378344	HTRMRGKYHNBKHC-JOYOIKCWSA-N	293.323	1.620	10	20	CDCD	
Cn1ccc(/C=C2\SC(N3CCCCC3)=NC2=O)n1	271434459	DMURSCQYOGTRTO-LUAWRHEFSA-N	276.365	1.876	10	20	CDCD	
COc1cccc(CNC(=O)CC2OCCCO2)c1O	279883661	LTGFHEHFDDZBNZ-UHFFFAOYSA-N	281.308	1.170	10	20	CDCD	
COC[C@H](NCc1cc(OC)ccc1O)[C@@H]1CCCO1	279377752	IOVXOPOKPMTJDT-ZFWWWQNUSA-N	281.352	1.684	10	20	CDCD	
COc1ccc(O)c(CN2CCNC(=O)C[C@@H]2C)c1	377888443	JTZKFWKLKYRPCM-JTQLQIEISA-N	264.325	1.111	10	20	CDCD	
Cc1cccc(CN2CC[C@@H]3COC(=O)N[C@H]3C2)c1O	281413838	YLHKNIFTEZMVGI-OLZOCXBDSA-N	276.336	1.631	10	20	CDCD	
CC(C)(C)C[C@H](O)CNC(=O)c1c(F)ccc(O)c1O	295763148	HXXQTYSRTQMPKC-QMMMGPOBSA-N	285.315	1.764	10	20	CDCD	
COC(=O)[C@@H](N(C)Cc1ccccc1O)C1(OC)CCC1	290042011	OCAJXRFSQNFZGT-CQSZACIVSA-N	293.363	1.935	10	20	CDCD	
Cc1[nH]ncc1CCCNC(=O)NCc1ccccc1O	299506174	MQIJBVNNROTGHA-UHFFFAOYSA-N	288.351	1.856	10	20	CDCD	
COc1ccc(CNC(=O)CCc2ccn(C)n2)c(O)c1	816550206	LBPIMDKVJVYQBD-UHFFFAOYSA-N	289.335	1.383	10	20	CDCD	
COc1ccc(N2CC[C@@H](CNC(=O)C(C)(C)O)C2)cc1	819590066	WJTUPATXRSAABM-LBPRGKRZSA-N	292.379	1.409	10	20	CDCD	
C[C@H](N)C[C@@H](C)NCc1ccc(N2CCOCC2)cc1	817896220	ZPCDGFNZERNXJJ-UONOGXRCSA-N	277.412	1.739	10	20	CDCD	
COc1cccc(CNC(=O)c2cc(C)n(C)n2)c1O	729859302	MHARYDTZSLZFEX-UHFFFAOYSA-N	275.308	1.373	10	20	CDCD	
CO[C@@H]1CN(Cc2cccc(Cl)c2O)C[C@H]1O	825017541	UFWKACOFGORYGA-GHMZBOCLSA-N	257.717	1.237	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)CC2(O)CCC2)c1	825736777	JLFAVUBVRUYVBK-SNVBAGLBSA-N	279.336	1.883	10	20	CDCD	
CN1CCN(C(=O)/C=C\c2cccnc2)c2cccnc21	492044800	IRHHHSINXWPJAS-SREVYHEPSA-N	280.331	1.973	10	20	CDCD	
COc1cccc(O)c1CN[C@H]1CCCN(CCCO)C1	824583998	UQZMSVYFTTVUKT-ZDUSSCGKSA-N	294.395	1.337	10	20	CDCD	
COCC1(S(=O)(=O)N(C)Cc2ccccc2O)CC1	830610025	SSPITMLPMRGLSC-UHFFFAOYSA-N	285.365	1.333	10	20	CDCD	
COc1cc(O)c(CN(C)C[C@H](C)C(=O)O)cc1OC	833728848	ANHUQGSKUTYLOX-VIFPVBQESA-N	283.324	1.562	10	20	CDCD	
CN(C)C(=O)[C@H]1CCC[C@@H](NC(=O)c2cc(O)cs2)C1	734179180	UWAOSUAOZMPHIA-VHSXEESVSA-N	296.392	1.831	10	20	CDCD	
COCCS(=O)(=O)Nc1ccc(O)c(F)c1F	830184333	AKMAKTKJQSJQNS-UHFFFAOYSA-N	267.253	1.059	10	20	CDCD	
CC(=O)NCCN(C)Cc1ccc(N(C)C)cc1C	843427444	AZVHUMNIWKABJJ-UHFFFAOYSA-N	263.385	1.629	10	20	CDCD	
C[C@@H](CNC(=O)c1cc(O)cs1)CN1CCN(C)CC1	748362938	GPIZDAPKGLEXHB-NSHDSACASA-N	297.424	1.067	10	20	CDCD	
CN(C)C(=O)NC[C@H](N)c1ccc(N(C)C)cc1	842786076	TTYDHCLUZABTDJ-LBPRGKRZSA-N	250.346	1.024	10	20	CDCD	
CC(C)(C)N1CC[C@@H](NC(=O)c2cc(O)cs2)C1=O	844148331	ZQPOLFVNPPDNLN-SECBINFHSA-N	282.365	1.583	10	20	CDCD	
COc1ccc(N2CCC(N[C@@H](C)CC(N)=O)CC2)cc1	749129240	XKWCHTYXAOGYRG-LBPRGKRZSA-N	291.395	1.518	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC[C@@]1(O)CCO[C@@H]1C	840940949	OSTQOMVYDCHZDQ-CJNGLKHVSA-N	278.396	1.691	10	20	CDCD	
Cn1nc2c(c1C(=O)NCCc1ccc(N)cc1)CCC2	911783750	YGQUZYIYKONFEH-UHFFFAOYSA-N	284.363	1.464	10	20	CDCD	
CC[C@H](N)CNC(=O)NCc1ccc(N(C)C)cc1C	841823621	DRFNEOXFNMFMFC-ZDUSSCGKSA-N	278.400	1.598	10	20	CDCD	
CCn1cccc1/C=C1\SC(=S)N(CC(=O)O)C1=O	840732484	YMQPGZWUVMYNOD-TWGQIWQCSA-N	296.373	1.794	10	20	CDCD	
COc1cccc([C@@H](C)N[C@@H]2CC[C@H](C(N)=O)C2)c1O	846168805	LWDOOPQBNILJMP-OUAUKWLOSA-N	278.352	1.705	10	20	CDCD	
CCONC(=O)CNCc1cc(Cl)cc(Cl)c1O	846088824	MASAHLDKQFFQOS-UHFFFAOYSA-N	293.150	1.856	10	20	CDCD	
CCOc1ccc(CNC2CCNCC2)c(O)c1	841027171	YMALYCNGBVNHGL-UHFFFAOYSA-N	250.342	1.633	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1NC(=O)O[C@@H]1C	841394847	QLVZTMFQHCRXKH-ZWNOBZJWSA-N	291.351	1.174	10	20	CDCD	
CCN1C[C@H](CN[C@H](C)c2cc(OC)ccc2O)CC1=O	846095590	BNEJDYXBYWYZBV-NEPJUHHUSA-N	292.379	1.920	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)N[C@H](C)CCCN)c1	842000533	WWUWQMZSRFETEY-GHMZBOCLSA-N	295.383	1.888	10	20	CDCD	
COC(=O)CN(CCF)Cc1cc(Cl)ccc1O	759348919	VOGFQJMLQPZVEV-UHFFFAOYSA-N	275.707	1.990	10	20	CDCD	
C[C@H](CNCc1cc(Cl)ccc1O)S(C)(=O)=O	697641142	JQRBGMKDLRVJCE-MRVPVSSYSA-N	277.773	1.568	10	20	CDCD	
CCCCN(Cc1ccccc1O)C(=O)[C@@H]1CC(=O)N1	854373296	CYPUHFLJSODOCY-LBPRGKRZSA-N	276.336	1.409	10	20	CDCD	
CON(C)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	753407251	UBEFZJYFUOQZAW-GFCCVEGCSA-N	293.367	1.787	10	20	CDCD	
COc1cccc(O)c1CN[C@@H]1CCN(C(C)=O)C1	856812549	ZYHDHYYLYVBHQV-LLVKDONJSA-N	264.325	1.111	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H]1CO[C@H](C)C1	935949256	WLJMFCXYYCJVQV-MNOVXSKESA-N	284.352	1.919	10	20	CDCD	
C[C@@H]1C[C@@H](NC(=O)N[C@H](C)c2ccccc2O)CO1	868741261	PHHDARKSHWLONZ-GMTAPVOTSA-N	264.325	1.930	10	20	CDCD	
CCOc1ccc(CN2CC[C@](F)(C(=O)OC)C2)c(O)c1	769564282	OORFSKUTRUHJFF-OAHLLOKOSA-N	297.326	1.878	10	20	CDCD	
C[C@H]1C(=O)NCCN1Cc1c(O)cccc1Br	862235838	CZCUSGALKWZRDS-QMMMGPOBSA-N	299.168	1.475	10	20	CDCD	
O=C(CCOC[C@@H]1CCCO1)NCc1ccc(O)c(O)c1	768917532	MQCHTFBLPVMJJS-LBPRGKRZSA-N	295.335	1.300	10	20	CDCD	
COc1cccc(CN[C@H](C)c2noc(C)n2)c1O	1117646277	XEGPHACYONJAKF-MRVPVSSYSA-N	263.297	1.943	10	20	CDCD	
CN(C(=O)c1noc2c1COCC2)c1ccc(N)cc1	1119242653	FBXFRETZSFSNLO-UHFFFAOYSA-N	273.292	1.606	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)c1c[nH]c2ncccc12	778923935	UMXWQKTXOPZGKH-UHFFFAOYSA-N	283.287	1.904	10	20	CDCD	
Nc1ccc(CNC(=O)NCCCO[C@@H]2CCOC2)cc1	1120526186	XIOVTPGJEXCCSQ-CQSZACIVSA-N	293.367	1.264	10	20	CDCD	
Nc1ccc(CNC(=O)CS(=O)(=O)C2CCCC2)cc1	1122536161	TXIRLCSPGBQCRM-UHFFFAOYSA-N	296.392	1.242	10	20	CDCD	
Fc1cc(CNc2nnco2)ccc1N1CCOCC1	788327859	VMDPYFCEHAGQNU-UHFFFAOYSA-N	278.287	1.657	10	20	CDCD	
COC(=O)[C@@]1(F)CCN(Cc2cc(F)cc(F)c2O)C1	894085825	QTDNTWSHJWGYMB-CYBMUJFWSA-N	289.253	1.757	10	20	CDCD	
O=C(COC(=O)c1ccc(CO)o1)c1ccc(O)c(O)c1	783885942	NIGCVFWAWVDUGY-UHFFFAOYSA-N	292.243	1.223	10	20	CDCD	
COc1ccc(CN(C)CC[C@H](C)O)c(O)c1OC	892065645	OQJQMTJKXOTXJB-JTQLQIEISA-N	269.341	1.612	10	20	CDCD	
COC[C@@H](C)NC(=S)NCc1ccc(OC)cc1O	795030960	GYCXSUFYJIQGIG-SECBINFHSA-N	284.381	1.400	10	20	CDCD	
COc1ccc(CNC(=O)C2(C)CCOCC2)c(O)c1	794373133	HMXWKWNAQUTXCJ-UHFFFAOYSA-N	279.336	1.834	10	20	CDCD	
O=C(NC[C@H](O)c1ccco1)c1cccc(O)c1O	790529437	DMIQHURQKWTOFI-JTQLQIEISA-N	263.249	1.154	10	20	CDCD	
CN(C)c1cc(N(C)Cc2ccccc2O)ncn1	893018948	OANIKYJFQZWRNL-UHFFFAOYSA-N	258.325	1.885	10	20	CDCD	
CC(C)C[C@H]1COCCN1C(=O)c1cccc(O)c1O	187094596	GFYNNCRHQHZHEU-NSHDSACASA-N	279.336	1.985	10	20	CDCD	
CN(C)Cc1cc(C(=O)NCc2ccccc2O)no1	1320255308	VQUXBQLZBKZQIV-UHFFFAOYSA-N	275.308	1.372	10	20	CDCD	
COc1ccc(CNCc2csnn2)c(O)c1OC	1333851523	VCMCYRCZIMAXBQ-UHFFFAOYSA-N	281.337	1.551	10	20	CDCD	
CCOC(=O)[C@H](NCc1ccc(N)cc1)C1CCOCC1	1334754683	RDPBTOYOCDRDDU-OAHLLOKOSA-N	292.379	1.717	10	20	CDCD	
C[C@H]1Cc2c[nH]nc2[C@H](C(=O)NCc2ccc(N)cc2)C1	1342020901	KSBNGWJUXOUYPN-IINYFYTJSA-N	284.363	1.974	10	20	CDCD	
CC[C@H]1CC[C@@H](C(=O)NCc2cccc(O)c2O)O1	1347543245	ZBZXBCLDXVXPFK-JQWIXIFHSA-N	265.309	1.672	10	20	CDCD	
O=C(O)[C@H](C[C@H]1CCCO1)NCc1cccc(F)c1O	1601640181	AGKGUQWQMXBHDV-PWSUYJOCSA-N	283.299	1.643	10	20	CDCD	
O=C(O)[C@@]1(O)CCN(Cc2cc(Cl)c(F)cc2O)C1	1601722309	HNPZDCLMRHMUPT-GFCCVEGCSA-N	289.690	1.206	10	20	CDCD	
O=C(NCc1ccoc1C(=O)O)c1cccc(O)c1O	1601545933	PIGSBKJJMRFHSY-UHFFFAOYSA-N	277.232	1.319	10	20	CDCD	
CCc1cccc(CN[C@H]2CCO[C@H]2C(=O)O)c1O	1597587101	PATCZUYWNXUJAN-WCQYABFASA-N	265.309	1.286	10	20	CDCD	
CCOc1ccc(N(C)CC(=O)NCCCOC)cc1	157318557	WINIGEPUCOGUQI-UHFFFAOYSA-N	280.368	1.674	10	20	CDCD	
CCS(=O)(=O)C[C@@H](C)NCc1ccc2c(c1)CCCO2	921737111	AQOKPJOZSOAXJJ-GFCCVEGCSA-N	297.420	1.924	10	20	CDCD	
COC1(C(=O)N(C)Cc2ccccc2O)CCOCC1	284703416	DJIZWRISKAJTLU-UHFFFAOYSA-N	279.336	1.546	10	20	CDCD	
CCCCNC(=O)CN1CCCc2cc(CN)ccc21	62801608	QIOVMOWNQULGAL-UHFFFAOYSA-N	275.396	1.814	10	20	CDCD	
Cc1ccc(O)c([C@@H](C)NC[C@H](C)S(C)(=O)=O)c1	697580768	WDTKMUQOOZPKDJ-WDEREUQCSA-N	271.382	1.784	10	20	CDCD	
Nc1ccc(CNC(=O)c2cc(Br)n[nH]2)cc1	1580445702	QFMJSXDJBZJXJK-UHFFFAOYSA-N	295.140	1.684	10	20	CDCD	
CCOc1ccc(O)c(CN2CCS(=O)(=O)C[C@H]2C)c1	179775318	QUESWFDYBDHDOF-LLVKDONJSA-N	299.392	1.410	10	20	CDCD	
Cc1ccc(O)c(CN(C)[C@H]2CCCCNC2=O)c1	123965304	BXQILSBSCLRYQV-ZDUSSCGKSA-N	262.353	1.801	10	20	CDCD	
Cc1cc(O)ccc1NS(=O)(=O)c1ccnn1C	128095924	ALZCFVHXMXRBAC-UHFFFAOYSA-N	267.310	1.235	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)c1c([N+](=O)[O-])cnn1C	126442862	NTEOXVWSIQPELW-UHFFFAOYSA-N	290.279	1.306	10	20	CDCD	
Cc1ccc([C@H](C)N[C@H](C)CN2CCN(C)CC2)c(O)c1	185392770	XWEAXLYSKRWABD-CABCVRRESA-N	291.439	1.987	10	20	CDCD	
COc1cccc(CN2CC[C@H](CC(N)=O)C2)c1O	368132106	DNVYQNSYRQCYDT-SNVBAGLBSA-N	264.325	1.098	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccon1	185386984	CWGDBKOHFZDUJG-MRVPVSSYSA-N	262.265	1.447	10	20	CDCD	
CCCN(Cc1ccccc1O)Cc1ncnn1C	177097112	FENIFLNQGUWICM-UHFFFAOYSA-N	260.341	1.933	10	20	CDCD	
CCOCc1cc(CN[C@@H](C)C(=O)N(C)C)ccc1OC	191730872	QCSGBAYBVPQKRS-LBPRGKRZSA-N	294.395	1.798	10	20	CDCD	
CCOc1cccc(CN2CC[C@@](C)(C(=O)NC)C2)c1O	228099425	GCXZCRCQGYOWSS-MRXNPFEDSA-N	292.379	1.749	10	20	CDCD	
CC[C@@H](C(=O)O)N1CCN(c2ccc(OC)c(F)c2)CC1	191438822	KCVOHVASBABNJG-ZDUSSCGKSA-N	296.342	1.820	10	20	CDCD	
Cc1c(CN=c2[nH]ccn3cnnc23)n(C)c2ccccc12	359812887	HNHOSKXFZKPVKM-UHFFFAOYSA-N	292.346	1.958	10	20	CDCD	
COc1cccc(CNC(=O)C2CCN(C)CC2)c1O	269208194	UXGUIZKSJRJRIQ-UHFFFAOYSA-N	278.352	1.359	10	20	CDCD	
COC(=O)C1(NC(=O)/C=C/c2ccc(O)c(O)c2)CCC1	272695529	VECOARZNYUOLKT-GQCTYLIASA-N	291.303	1.323	10	20	CDCD	
CC1(C)CN(C(=O)/C=C/c2ccc(O)c(O)c2)CC[C@@H]1O	275821065	JTNJFCUWXCUHOA-YVZNUBBCSA-N	291.347	1.730	10	20	CDCD	
Cc1ccc(O)c(CN2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)c1	373739382	XFYHGNGIIRHNGN-CORIIIEPSA-N	274.364	1.786	10	20	CDCD	
COCCCn1nccc1/C=C1\SC(=S)NC1=O	282583904	DANCTROWGPTQNX-CLFYSBASSA-N	283.378	1.408	10	20	CDCD	
C[C@H]1CN(C(=O)c2cccc(O)c2O)C[C@@H](C2CC2)O1	280092181	QVGFISPQMCZELC-ZANVPECISA-N	277.320	1.737	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CC(C)(C)O	280230504	HHGVLNCIZIZBGX-SECBINFHSA-N	267.325	1.306	10	20	CDCD	
COc1cc(OC)nc(NCc2cccc(OC)c2O)n1	287826239	KNOYSOXCPIAMCN-UHFFFAOYSA-N	291.307	1.820	10	20	CDCD	
Cc1cc(C)c([C@@H](C)NCC2(CO)COC2)c(O)c1	294832132	RDNVMIJHDGIYMT-GFCCVEGCSA-N	265.353	1.669	10	20	CDCD	
CC(C)(CO)CCNC(=O)/C=C/c1ccc(O)c(O)c1	295797802	DUXJXQBZKJWGAL-GQCTYLIASA-N	279.336	1.636	10	20	CDCD	
CN(C(=O)/C=C/c1cnn(C)c1)c1ccc([N+](=O)[O-])nc1	808795512	UULLTQAPMFCNTN-ZZXKWVIFSA-N	287.279	1.400	10	20	CDCD	
COc1ccc(N2CC[C@H](CN3C(=O)CNC3=O)C2)cc1	819176636	LSOZNUIPKCMUKC-NSHDSACASA-N	289.335	1.073	10	20	CDCD	
Cc1ccc(C(=O)OCc2ccn(C)c(=O)c2)c(O)c1O	727004581	YIWYNCPINSZOAD-UHFFFAOYSA-N	289.287	1.462	10	20	CDCD	
CO[C@@H]1CCC[C@H]1CNC(=O)c1c(F)ccc(O)c1O	827821767	VCCIRLGYSBZVIO-GZMMTYOYSA-N	283.299	1.782	10	20	CDCD	
COc1cccc(CN2C[C@H](C)[C@@](C)(CO)C2)c1O	827699077	DRNJGJHHQXOGHN-XHDPSFHLSA-N	265.353	1.851	10	20	CDCD	
C[C@H]1NCC[C@@H]1C(=O)NCc1ccc2c(c1)CCCN2C	827914018	VOWKITAREPJZOG-DOMZBBRYSA-N	287.407	1.683	10	20	CDCD	
COc1ccc(O)c(CNCc2ccnc(OC)n2)c1	823870922	AEWGHHDJVBZQKW-UHFFFAOYSA-N	275.308	1.489	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2nc(C3CC3)nn2C)cc1	836184383	YULWBHIXCCKQME-UHFFFAOYSA-N	299.378	1.689	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCCC[C@H]1C1OCCO1	732281716	AJCBCTUSCOAKKO-JTQLQIEISA-N	283.349	1.821	10	20	CDCD	
CN(C)c1ccc(CNC[C@H]2COCCO2)cc1F	733324929	LNNMWMDDONBQCV-LBPRGKRZSA-N	268.332	1.397	10	20	CDCD	
CCCCS(=O)(=O)CC(=O)NCCc1ccc(N)cc1	911782992	NLWCSYJWRMEHOU-UHFFFAOYSA-N	298.408	1.142	10	20	CDCD	
CC[C@@H](C(=O)O)C(=O)NCc1cc(Cl)ccc1O	911330429	LJFJHLFAJQNJFY-SECBINFHSA-N	271.700	1.773	10	20	CDCD	
COc1cccc([C@H](C)NC[C@H](C)S(C)(=O)=O)c1O	846156288	DBLAEDUYKCTGSG-UWVGGRQHSA-N	287.381	1.485	10	20	CDCD	
COc1cccc(O)c1CNC[C@]1(C)CCCNC1	841057004	KWTZIUKYQZDEFL-OAHLLOKOSA-N	264.369	1.880	10	20	CDCD	
Cc1ccoc1/C=C1/SC(=S)N(CC(=O)O)C1=O	742347173	UVSIRNAOILZNMO-XBXARRHUSA-N	283.330	1.874	10	20	CDCD	
COC(=O)[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc(N)cc1	841299387	KAEFOVGBVCHZHU-NEPJUHHUSA-N	277.324	1.732	10	20	CDCD	
CO[C@H]1CCC[C@H](C(=O)NCc2ccc(O)cc2O)C1	910943328	AEFTWEVCBVYPHT-GWCFXTLKSA-N	279.336	1.919	10	20	CDCD	
CC[C@H](C)[C@H](N)C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1	841845626	BESYXLHYJCOJQO-GLQYFDAESA-N	292.427	1.242	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)NCC2(N(C)C)CC2)c1	841763662	OZMSYNGJFGMEKA-NSHDSACASA-N	292.379	1.924	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN[C@@H]2CCCNC2)c1O	841042210	FSKITAZESGBFOF-SNVBAGLBSA-N	281.312	1.151	10	20	CDCD	
Nc1ccc(Cc2noc([C@H]3CC(=O)N(C4CC4)C3)n2)cc1	843158971	JOPWSBJKPUJMPU-NSHDSACASA-N	298.346	1.721	10	20	CDCD	
CON(C)CCNC(=O)NCc1ccc(N(C)C)cc1C	853749229	MXOKHUDLXLAWMH-UHFFFAOYSA-N	294.399	1.353	10	20	CDCD	
CNC[C@@H]1CCN(Cc2cccc(OC)c2O)C1	71141865	JQTFQLKRQPDKHG-NSHDSACASA-N	250.342	1.442	10	20	CDCD	
Cc1ccc(C(=O)OCC(=O)N[C@@H](C)C(C)C)c(O)c1O	750618359	GUIWVSKVLQKLFC-JTQLQIEISA-N	295.335	1.724	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](O)C1CC1	854324798	PQAWYZKUJHCWMG-CQSZACIVSA-N	262.353	1.482	10	20	CDCD	
O=C(c1cc(O)cs1)N1CC[C@H]([C@@H]2CCOC2)C1	750538394	HJTTWHCXBRADLE-VHSXEESVSA-N	267.350	1.952	10	20	CDCD	
CCn1ccc(NC(=O)NCCc2ccc(N)cc2)n1	850757270	IYJGBYVRMRVBIM-UHFFFAOYSA-N	273.340	1.849	10	20	CDCD	
C[C@H]1CN(CCN[C@H](C)c2ccc(F)cc2O)CCO1	756547293	YLBXTPIYIVSIDM-NWDGAFQWSA-N	282.359	1.903	10	20	CDCD	
Cc1ccc(CN[C@H](C)[C@H](C)N2CCOCC2)c(O)c1	877025283	FWUJRPHNVCHCOP-KGLIPLIRSA-N	278.396	1.899	10	20	CDCD	
COC(=O)[C@H]1CN(C)CCN(Cc2c(C)cccc2O)C1	877587429	LAGRROKUMCOAEY-ZDUSSCGKSA-N	292.379	1.237	10	20	CDCD	
COCCN(CC(=O)N(C)C)Cc1c(C)cccc1O	876609394	MKYGPCYQKZNMRF-UHFFFAOYSA-N	280.368	1.237	10	20	CDCD	
Cc1ccc(CN2CC[C@@H](n3cncn3)C2)c(O)c1	877424959	UVGSQTXVZDWINL-CYBMUJFWSA-N	258.325	1.739	10	20	CDCD	
CO[C@@H]1CCN(C(=O)c2cc(O)cs2)C[C@@H]1C	1118704298	AKTGCKVQFGQING-WCBMZHEXSA-N	255.339	1.951	10	20	CDCD	
COc1ccc(CNC[C@@H](OC)C2CCOCC2)c(O)c1	877494140	TZVLLJFHRPKBET-MRXNPFEDSA-N	295.379	1.932	10	20	CDCD	
CCN(CC)C[C@H](C)NC(=O)/C=C\c1ccc(O)c(O)c1	779520492	IEXUAJBHOSIPQS-UPZNUWHASA-N	292.379	1.958	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CCN(C)C2=O)c1	773408124	QUZNJDBYQIJWQY-MWLCHTKSSA-N	292.335	1.056	10	20	CDCD	
C[C@H](NC(=O)c1cnc[nH]1)c1ccc(N(C)C)cc1	773024018	ZKMGTZWZFBQPNQ-JTQLQIEISA-N	258.325	1.967	10	20	CDCD	
O=S(=O)(CC[C@@H]1CCCCO1)NCc1ccccc1O	881913682	ROKXPIKTARFINI-ZDUSSCGKSA-N	299.392	1.771	10	20	CDCD	
Cc1ccc(C(=O)NC[C@H]2COC(C)(C)O2)c(O)c1O	780971147	ZHZGVAZAXDNWPR-VIFPVBQESA-N	281.308	1.288	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)CC1OCCCO1	788640944	NRWRLOOGXVVGJA-UHFFFAOYSA-N	265.309	1.504	10	20	CDCD	
Cc1ccc(O)c(CN2CC(N3CCCC3=O)C2)c1	897786705	WHXCKYUOWXLHEC-UHFFFAOYSA-N	260.337	1.507	10	20	CDCD	
COc1ccc(CN[C@H]2C[C@@H](O)C2(C)C)c(O)c1OC	893707117	NNVXNFVDPVPCKL-NWDGAFQWSA-N	281.352	1.658	10	20	CDCD	
COc1ccc(N2CCC(N[C@H]3CCOC3=O)CC2)cc1	895803798	FTKAPHQOYXVWEY-HNNXBMFYSA-N	290.363	1.569	10	20	CDCD	
COc1ccc(N2CCN(C(=O)CC3COC3)CC2)cc1	899940873	ZCQMILMCFIEORL-UHFFFAOYSA-N	290.363	1.380	10	20	CDCD	
COc1cc(C)cc(CN[C@H](C)C[S@@](C)=O)c1O	894443900	HVFYAJQKWAMBQS-MLCYQJTMSA-N	271.382	1.566	10	20	CDCD	
COc1ccc(CNC(=O)CC2(OC)CCC2)c(O)c1	794381416	NCVHSHFZFQQJLR-UHFFFAOYSA-N	279.336	1.976	10	20	CDCD	
COc1ccc(O)c(CNCCC(=O)NC(C)C)c1	135754311	MTWQJKZXGUJNJQ-UHFFFAOYSA-N	266.341	1.405	10	20	CDCD	
O=C(O)[C@H](F)CNCc1c(O)cccc1Br	1330287486	ZODNVMKDTQIEAJ-MRVPVSSYSA-N	292.104	1.667	10	20	CDCD	
CC1(C(=O)NCCc2ccc(O)c(O)c2)CCOCC1	762267889	USOODKIVPJVNHM-UHFFFAOYSA-N	279.336	1.573	10	20	CDCD	
C[C@H]1CCN(C(=O)NCc2ccc(N)cc2)C[C@H]1CN	1346739308	PNAAPYQCPLXCQP-WCQYABFASA-N	276.384	1.395	10	20	CDCD	
COC[C@@H]1CN(C(=O)NCc2ccc(N)cc2)C[C@H](C)O1	1346739058	MHBMIJSAQWROJX-FZMZJTMJSA-N	293.367	1.214	10	20	CDCD	
C[C@H]1COCC[C@H]1C(=O)NCc1cccc(O)c1O	1352657224	AEQOCFAZRAVJOX-GXSJLCMTSA-N	265.309	1.387	10	20	CDCD	
Cc1cc(O)c(CN2C[C@@H](O)C[C@H](C(=O)O)C2)c(Cl)c1	1600286283	NYHDTQVBLLFICS-UWVGGRQHSA-N	299.754	1.621	10	20	CDCD	
O=C(O)c1ccc(C(=O)NCc2ccc(O)cc2O)nc1	1574796216	PVVODDHIRSYWRV-UHFFFAOYSA-N	288.259	1.121	10	20	CDCD	
C[C@@H](CN(C)Cc1cc2c(cc1O)OCO2)C(=O)O	1589033845	GEUJCGWXLHATAV-QMMMGPOBSA-N	267.281	1.273	10	20	CDCD	
CCOc1ccc(O)c(CN2C[C@@H](C(=O)O)O[C@H](C)C2)c1	1597130820	WQNAICWOJCLJAP-YGRLFVJLSA-N	295.335	1.465	10	20	CDCD	
Cc1cc(O)c(CN2CCO[C@H](C(=O)O)C2)c(Cl)c1	1594326536	FQXOYZITSOHRPY-LBPRGKRZSA-N	285.727	1.639	10	20	CDCD	
CC[C@@H](CC(=O)O)NCc1ccc(N2CC[C@H](O)C2)cc1	1776953061	HEXAGZQPJWITCA-ZFWWWQNUSA-N	292.379	1.601	10	20	CDCD	
CCCNC(=O)NC(=O)CN(C)c1ccc(OC)cc1	844353618	SBOYPHAETLEKEH-UHFFFAOYSA-N	279.340	1.367	10	20	CDCD	
O=C(CC[C@H]1CCCNC1)NCc1ccccc1O	228422514	SFCYXGWKTQIVAH-GFCCVEGCSA-N	262.353	1.788	10	20	CDCD	
CCOc1cccc(CN2CC[C@H]([C@H](C)N)C2)c1O	252789693	RTAFIZSKVRCCAS-RYUDHWBXSA-N	264.369	1.960	10	20	CDCD	
CN1CCC(NCc2cc3c(cc2O)OCO3)CC1	42879707	PROVLFUUMRWYKK-UHFFFAOYSA-N	264.325	1.305	10	20	CDCD	
Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2NCCS(C)(=O)=O	37740554	GSCDFOMLJNAJLA-QWRGUYRKSA-N	283.393	1.883	10	20	CDCD	
CCCN(CC(=O)NC)Cc1cccc(CC)c1O	692083756	ADWCHYHTIAALTL-UHFFFAOYSA-N	264.369	1.913	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(C=O)[nH]1	186380000	MZUGDFYZHSSBOY-SECBINFHSA-N	288.303	1.599	10	20	CDCD	
Cc1ccc(O)c([C@@H](C)NCCCS(C)(=O)=O)c1	38047516	PQVWQIZQXYMHPU-LLVKDONJSA-N	271.382	1.786	10	20	CDCD	
Nc1ccc(CNC(=O)c2ccc3c(c2)OCCO3)cc1	37666318	SIDLBPMSSARFMZ-UHFFFAOYSA-N	284.315	1.970	10	20	CDCD	
CC(C)NC(=O)CCNC(=O)N(C)Cc1ccccc1O	45576038	MJXZVEGJEUBMHU-UHFFFAOYSA-N	293.367	1.448	10	20	CDCD	
CCN(Cc1cnn(C)c1)Cc1cc2c(cc1O)OCO2	92438131	CHWZTOJSZCLRBR-UHFFFAOYSA-N	289.335	1.877	10	20	CDCD	
C[C@H](O)CN(C)C(=O)NCc1ccc(N(C)C)c(F)c1	91215502	NXEPFIGMQYHLJB-JTQLQIEISA-N	283.347	1.414	10	20	CDCD	
CCN(CC(=O)NCCCOC)c1ccc(OC)cc1	269596035	JNXPNCFPNIJTGW-UHFFFAOYSA-N	280.368	1.674	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNC[C@H](C)C[C@@H](C)O)c1O	278480008	JCEMYWNDLOMLQD-NXEZZACHSA-N	298.339	1.806	10	20	CDCD	
COC[C@@H](NCc1cc(F)ccc1O)[C@@H]1CCCO1	279347688	FXOYMJGXNCWNFZ-OCCSQVGLSA-N	269.316	1.815	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)CCCC(N)=O	274969049	NDRSAJWWOUTKAU-UHFFFAOYSA-N	278.352	1.786	10	20	CDCD	
COC(=O)[C@H]1CN(Cc2cccc(F)c2O)C[C@@H](C)O1	283164231	YLYNYZJUWDYNHU-BXKDBHETSA-N	283.299	1.294	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)Nc1ncn(C)n1	296878343	UOJIBRCUWOEGNW-UHFFFAOYSA-N	289.339	1.965	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNC[C@H](OC)C2CC2)c1O	293768271	YHSVHQIAGFJOFH-LBPRGKRZSA-N	296.323	1.824	10	20	CDCD	
CC(=O)C(=O)COC(=O)COc1ccc(Cl)cc1	808488389	FUXNWVATZICXEN-UHFFFAOYSA-N	270.668	1.420	10	20	CDCD	
COC[C@@H]1CN(Cc2ccc(N(C)C)c(C)c2)CCO1	292932517	ZEXOYXQUVPLBAR-HNNXBMFYSA-N	278.396	1.908	10	20	CDCD	
CC(C)(C)n1ncnc1COC(=O)c1cccc(O)c1O	801311290	HLWKJGVDVYNKCB-UHFFFAOYSA-N	291.307	1.801	10	20	CDCD	
CC[C@H](CO)N(C)Cc1ccc([N+](=O)[O-])c(OC)c1O	295209268	ZVSURKUGXYHZPT-SNVBAGLBSA-N	284.312	1.512	10	20	CDCD	
COCCOc1ccccc1NC[C@H](O)CSC	819425898	JDFMKBBIFKTWRN-NSHDSACASA-N	271.382	1.848	10	20	CDCD	
Cc1nc(NC(=O)/C=C\c2ccc(O)c(O)c2)nn1C	817019578	ONEFFUXMYSIAHO-XQRVVYSFSA-N	274.280	1.187	10	20	CDCD	
Nc1ccc(NC(=O)[C@@H]2CNCCC2(F)F)cc1	818556240	DJJBESXWLJSHCY-JTQLQIEISA-N	255.268	1.452	10	20	CDCD	
Oc1cccc2c1[C@@H](NC[C@@H]1CNCCCO1)CC2	817982665	VHHXNUWHJSPTFL-STQMWFEESA-N	262.353	1.348	10	20	CDCD	
COc1cccc(CN2C[C@@H](C)[C@](C)(CO)C2)c1O	827699074	DRNJGJHHQXOGHN-ABAIWWIYSA-N	265.353	1.851	10	20	CDCD	
CCc1cccc(CN2CCN([C@@H]3CCOC3)CC2)c1O	827125631	NDBWFOHBROOOLF-MRXNPFEDSA-N	290.407	1.861	10	20	CDCD	
CC(=O)N1CCC(C(=O)N[C@H](C)c2ccccc2O)CC1	827922992	GSUKFIZSBWGWLD-LLVKDONJSA-N	290.363	1.828	10	20	CDCD	
COc1cc(Cl)cc(CN[C@H]2C[C@H](N)C2)c1O	906517335	NBCBKNRQWQZURG-MGCOHNPYSA-N	256.733	1.634	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCc1cn[nH]c1	907274533	RHUDNDXWLSTSON-JTQLQIEISA-N	289.335	1.501	10	20	CDCD	
COc1cccc(CNC(=O)[C@@H]2C[C@H]3CC[C@H]2O3)c1O	733805436	IKJNAFXVVWEZKC-IJLUTSLNSA-N	277.320	1.585	10	20	CDCD	
O=C(/C=C\c1ccc[nH]1)NCc1ccc(O)c(O)c1	588549203	BVPBMLJHBKMDEL-XQRVVYSFSA-N	258.277	1.756	10	20	CDCD	
C[C@@H]1SCC[C@@H]1NC(=O)c1c(F)ccc(O)c1O	844153759	QKJVSRRBSRGDRQ-XPUUQOCRSA-N	271.313	1.861	10	20	CDCD	
CCN(CC)C(=O)CN[C@H](C)c1cccc(OC)c1O	846145752	QBUSSRCLHROAGS-LLVKDONJSA-N	280.368	1.920	10	20	CDCD	
Cc1noc([C@@H](C)N(C)C(=O)c2ccc(C)c(O)c2O)n1	848323262	DJRIRZGQVQYNCZ-MRVPVSSYSA-N	291.307	1.931	10	20	CDCD	
CC[C@@H](C)N(C)CCNC(=O)C(=O)Nc1ccc(N)cc1	841041437	CCMIAXVSMWXKMX-LLVKDONJSA-N	292.383	1.054	10	20	CDCD	
CO[C@@H](C(=O)N(CC(=O)O)Cc1ccccc1O)C1CC1	911493883	QFLAWNXTXDIXRO-CQSZACIVSA-N	293.319	1.230	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)N[C@H]2CO[C@H](C)C2)c1	858575364	YSIVUJOERVGSKV-ZYHUDNBSSA-N	264.325	1.677	10	20	CDCD	
Cc1n[nH]c(C)c1[C@@H](C)C(=O)NCc1ccc(O)c(O)c1	752600778	PCBRZHXXOJNZRZ-MRVPVSSYSA-N	289.335	1.858	10	20	CDCD	
C[C@H](N[C@@H]1CC(=O)N(C)C1)c1cc(F)cc(F)c1O	756524450	FTMNVAOKHOWCDG-IONNQARKSA-N	270.279	1.552	10	20	CDCD	
CCOC(=O)CN(CCOC1CC1)Cc1ccccc1O	930765105	YGFUCSPPNNWQFV-UHFFFAOYSA-N	293.363	1.936	10	20	CDCD	
C[C@H](O)C[C@H]1CCCN1C(=O)c1cc(O)cs1	765143269	MZQTVCLZMTWSLL-DTWKUNHWSA-N	255.339	1.829	10	20	CDCD	
Cc1cccc(O)c1CN1CCC2(CC1)CNC(=O)C2	876745247	BMOOLZLSJCNHII-UHFFFAOYSA-N	274.364	1.803	10	20	CDCD	
C[C@@H](NC(=O)c1cc(CO)on1)c1ccc(N(C)C)cc1	867502906	DWJHPSBVNQCSAF-SNVBAGLBSA-N	289.335	1.724	10	20	CDCD	
CN1CCC(CNC(=S)NCc2ccccc2O)CC1	760476047	IPSOALZHHSAFMV-UHFFFAOYSA-N	293.436	1.698	10	20	CDCD	
Cc1cccc(O)c1CN1CC[C@H](S(C)(=O)=O)C1	877499253	DIWPXWPTAODJQG-NSHDSACASA-N	269.366	1.320	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)N=c1ncnc2[nH][nH]cc1-2	762800484	QPASUSMRSAJSLI-MRVPVSSYSA-N	285.307	1.181	10	20	CDCD	
COC[C@@H](C)OC[C@@H](O)CN[C@H](C)c1ccccc1O	879649528	VOWBOJSYVOWSCJ-UPJWGTAASA-N	283.368	1.455	10	20	CDCD	
Cc1cccc(O)c1CNCc1nc([C@H]2CCCO2)n[nH]1	877617105	KNFIISOBEZKKFH-CYBMUJFWSA-N	288.351	1.960	10	20	CDCD	
COc1cc(F)cc(N2N=C(C(C)=O)CC2=O)c1	871959040	MSXBOTPAEPCKGN-UHFFFAOYSA-N	250.229	1.516	10	20	CDCD	
CCCN(Cc1ccccc1O)c1nccn(C)c1=O	770469697	OYIUIIIDCXWLBJ-UHFFFAOYSA-N	273.336	1.903	10	20	CDCD	
Cc1ccc(CN2CCC[C@H]2CN2CCOCC2)c(O)c1	876625881	IEGHXFUVGZVLOB-INIZCTEOSA-N	290.407	1.997	10	20	CDCD	
COC1(CNC(=O)NCc2ccc(N)cc2)CCOCC1	1120614594	FPTQTKTYURPQOP-UHFFFAOYSA-N	293.367	1.264	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)OCC(=O)N1CCCC1	772768952	MORLCEGNPGXKGQ-XQRVVYSFSA-N	291.303	1.277	10	20	CDCD	
CC1(O)CCN(C(=O)NCc2ccc(N)cc2)CC1	1120676797	CSCPETPFIPWAPB-UHFFFAOYSA-N	263.341	1.325	10	20	CDCD	
CC[C@H]1CN(CC)CCN1C(=O)NCc1ccc(N)cc1	1120592202	RYBHSLNMIKNVNL-HNNXBMFYSA-N	290.411	1.895	10	20	CDCD	
O=C1NCC2(CCN(C(=O)c3cc(O)cs3)CC2)O1	782076626	FHQUTFGYXCRSBU-UHFFFAOYSA-N	282.321	1.168	10	20	CDCD	
COc1cc(C)cc(CN(C)[C@H]2CCC(=O)N(C)C2)c1O	895389196	NTXHJPNFPOBFLM-ZDUSSCGKSA-N	292.379	1.762	10	20	CDCD	
OC[C@@H]1CCCN(Cc2cc(F)cc(F)c2O)C1	893863325	FTUZYNVOTIASNO-SECBINFHSA-N	257.280	1.875	10	20	CDCD	
COc1cc(C)cc(CN2Cc3cnn(C)c3C2)c1O	895283636	ZPOBDNBXWFLDRQ-UHFFFAOYSA-N	273.336	1.959	10	20	CDCD	
CC[C@H](C[C@@H](C)CO)NC(=O)c1cccc(O)c1O	790911652	TUNKHNYHXJUCET-NXEZZACHSA-N	267.325	1.625	10	20	CDCD	
CCOc1ccc(CN2CCOC[C@@]23CCOC3)c(O)c1	799737845	NQJKYUXESLKMAK-INIZCTEOSA-N	293.363	1.782	10	20	CDCD	
CCOc1cccc(CN[C@@H](CC)C(=O)O)c1O	75436150	ULYCUVXLGGZUCF-JTQLQIEISA-N	253.298	1.744	10	20	CDCD	
COc1nc(Cl)c(/C=C2\SC(=S)NC2=O)n1C	1318372117	HOZZXOPJDOOZAX-HYXAFXHYSA-N	289.769	1.571	10	20	CDCD	
CCCCn1nnnc1CN(C)Cc1ccccc1O	731843434	GYEAWSWTWALQIX-UHFFFAOYSA-N	275.356	1.811	10	20	CDCD	
NC(=O)N=Nc1ccc(C(=O)N[C@H]2C[C@@H](C(=O)O)C2)cc1	1601156316	SITZLDSOCPKNFU-WAAGHKOSSA-N	290.279	1.442	10	20	CDCD	
C[C@H](NC[C@@H](C)C(=O)O)c1cc([N+](=O)[O-])ccc1O	1589067457	NCVVBVGQSNAYKO-SFYZADRCSA-N	268.269	1.672	10	20	CDCD	
Cc1cc(C(=O)N2CC(N(C)C)C2)c(C)n1-c1ccccn1	158502174	AEDGKJFCMIIYAG-UHFFFAOYSA-N	298.390	1.875	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)NCC(F)(F)F	115171564	MVLRIEGQWDFIMV-UHFFFAOYSA-N	278.230	1.502	10	20	CDCD	
C[C@H]1CS(=O)(=O)C[C@H]1NCc1c(O)cccc1Cl	288427475	BKHBEGIYGXOOIY-GZMMTYOYSA-N	289.784	1.568	10	20	CDCD	
CCOc1cccc(CN2C[C@@H](C)N[C@H](C)C2)c1O	70075481	KZHQYOIZQRWTFZ-VXGBXAGGSA-N	264.369	1.973	10	20	CDCD	
Oc1cccc(Cl)c1CN1C[C@@H]2CC[C@H](C1)N2	873217954	VRBFXNDUBKVLIT-AOOOYVTPSA-N	252.745	1.982	10	20	CDCD	
COCc1cc(C(=O)NCc2cc(OC)ccc2O)no1	173581919	BZSPFZPCPASAJZ-UHFFFAOYSA-N	292.291	1.465	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)c1cc(C2CC2)on1	178423856	PZHLRLFDIVFKBO-UHFFFAOYSA-N	288.303	1.936	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N[C@@H]2CCOC2)cc1	178783141	LBKRNVFLGKAMOG-GFCCVEGCSA-N	263.341	1.341	10	20	CDCD	
Cc1cc(C(=O)Nc2nc[nH]n2)c(C)n1-c1ccccn1	71969316	NBADHIHSCNXMPD-UHFFFAOYSA-N	282.307	1.860	10	20	CDCD	
C[C@H](NCC1(C(N)=O)CCOCC1)c1ccc(F)cc1O	185002600	MUZAGTMLYYJQSK-JTQLQIEISA-N	296.342	1.464	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)c1ccncc1F	182514127	ORKOBKSBDPTXSR-UHFFFAOYSA-N	262.240	1.562	10	20	CDCD	
COc1cccc(CNC(=O)CC[C@H](C)OC)c1O	184026014	KNLOGSTVRZNMHP-JTQLQIEISA-N	267.325	1.832	10	20	CDCD	
O=C(CSc1nccs1)NC(=O)NCc1ccco1	48874269	PERJQZZRZVFJQX-UHFFFAOYSA-N	297.361	1.854	10	20	CDCD	
COCCNC(=O)NCc1c(O)ccc2c1CCCC2	80612711	ZZEDQEPMBXTKRC-UHFFFAOYSA-N	278.352	1.717	10	20	CDCD	
CC(C)CNC(=O)CN[C@H](C)c1ccccc1O	135719543	GBSAZEPEPGHATL-LLVKDONJSA-N	250.342	1.815	10	20	CDCD	
CCc1cccc(CN(C)C[C@H](C)C(=O)NC)c1O	692086077	KVWUZVXKOAFBHE-NSHDSACASA-N	264.369	1.769	10	20	CDCD	
CCOC(=O)CN(C)C(=O)CSc1nccs1	264259586	PCGZMYGVGSMVKQ-UHFFFAOYSA-N	274.367	1.257	10	20	CDCD	
Cc1cc(C)c(CNC(=O)Cc2ccc(N)cc2)c(O)n1	269212359	QROIOUBIEMAABD-UHFFFAOYSA-N	285.347	1.845	10	20	CDCD	
CN(C)c1ccc(CN2C(=O)[C@H]3CCCN3C2=O)cc1	272134119	SBYQOTITDCYVFB-CYBMUJFWSA-N	273.336	1.679	10	20	CDCD	
COc1ccc(N2CCCN(C(=O)[C@@H](C)CN)CC2)cc1	375825134	PIBKUQOJQVZQGH-ZDUSSCGKSA-N	291.395	1.329	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@](O)(C2CC2)C1	373251573	XFPAMIFFCXJFKY-BAXHPOPBSA-N	289.331	1.484	10	20	CDCD	
CC[C@H](NCC1(CO)COC1)c1ccc(F)cc1O	286011083	IDARCTUECXEKQV-LBPRGKRZSA-N	269.316	1.581	10	20	CDCD	
CCOC(=O)[C@@H](C)[C@H](C)NC(=O)c1cccc(O)c1O	286066298	MDNWLCKXOHQNEO-IUCAKERBSA-N	281.308	1.415	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNC[C@@H](C)CCCO)c1O	294824065	PGKMGEKKHQNKRS-JTQLQIEISA-N	298.339	1.807	10	20	CDCD	
Cc1cc(CN(C[C@H](C)O)[C@H](C)CO)ccc1N(C)C	294417011	DGJQNRKAFOSQGF-KGLIPLIRSA-N	280.412	1.625	10	20	CDCD	
O=C(NC[C@H]1CCCS(=O)(=O)C1)c1cc(O)cs1	807799706	PJWVGSKCQQMBBS-MRVPVSSYSA-N	289.378	1.008	10	20	CDCD	
C[C@H]1CN(Cc2cc(Cl)c(F)cc2O)C[C@@H](CO)O1	816587925	AKYVTESQLDIVRO-WPRPVWTQSA-N	289.734	1.766	10	20	CDCD	
Cc1ccc(O)c([C@H](C)NCCN2CCNCC2)c1	817945179	WKJKLPOVALWKFA-ZDUSSCGKSA-N	263.385	1.256	10	20	CDCD	
COc1ccc2c(c1)C[C@@H](C(C)C)CN2CC(N)=O	817299307	XVPXLBRKXMSPCX-GFCCVEGCSA-N	262.353	1.815	10	20	CDCD	
CC[C@H](NC[C@@H]1CNCCCO1)c1ccc(F)cc1O	817982455	SPCCGDCMNMWMRR-JSGCOSHPSA-N	282.359	1.951	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)Cc1ncc[nH]1	816822824	XDGNOVQRXAYDEB-UHFFFAOYSA-N	272.352	1.677	10	20	CDCD	
CS(=O)(=O)CCCCNC(=O)c1cc(O)cs1	822376236	PWVPBULZPDUQRW-UHFFFAOYSA-N	277.367	1.008	10	20	CDCD	
COc1ccc(O)c(CN[C@@H]2COCC[C@H]2OC)c1	724879046	AWWKKVUBGPARDS-TZMCWYRMSA-N	267.325	1.294	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)NCCC2(CO)CC2)c1	834895475	BXPHLLJCYJFBDR-LLVKDONJSA-N	293.363	1.992	10	20	CDCD	
CC[C@@H]1OCC[C@H]1NCc1cc2c(cc1O)OCO2	839191857	KVNOTZNPPIMPQC-PWSUYJOCSA-N	265.309	1.778	10	20	CDCD	
C[C@@H](N[C@@H]1CC[C@H](C(N)=O)C1)c1cc([N+](=O)[O-])ccc1O	834907426	RIEXQCUWUPZOHB-KXUCPTDWSA-N	293.323	1.605	10	20	CDCD	
C[C@@H](CNC(=O)c1cc(O)cs1)Cn1cccn1	731871521	HLMCGWIRMGIXEJ-VIFPVBQESA-N	265.338	1.716	10	20	CDCD	
CCn1cnnc1CCNC(=O)c1cc(O)cs1	735515884	CQWFJHBJRQUAIO-UHFFFAOYSA-N	266.326	1.038	10	20	CDCD	
CC(C)OCCS(=O)(=O)Nc1ccc(O)c(F)c1F	830184946	SNESDBYIUWKXBF-UHFFFAOYSA-N	295.307	1.837	10	20	CDCD	
Cc1cc(C(=O)NCc2ccccc2O)n2nc(C)cc2n1	748325235	MWQUUAGUQVRPEN-UHFFFAOYSA-N	296.330	1.982	10	20	CDCD	
COC/C(C)=C\C(=O)NCc1cc(OC)ccc1O	845833173	DELIOYHBOPDSHQ-POHAHGRESA-N	265.309	1.610	10	20	CDCD	
COc1cccc(CNC(=N)NC[C@H]2CCCO2)c1O	849002224	VNEXDVYKGKZZDO-LLVKDONJSA-N	279.340	1.194	10	20	CDCD	
COC(=O)N[C@@H](C)c1nc(Cc2ccc(N)cc2)no1	843159247	NMCNTXSZVKJMMF-QMMMGPOBSA-N	276.296	1.660	10	20	CDCD	
Cc1cc(CC(=O)NCc2ccc(N(C)C)cc2)on1	845102343	VAXQHPWRDJQKOY-UHFFFAOYSA-N	273.336	1.908	10	20	CDCD	
CCN1C(=O)C(C)(C)N[C@H]1c1cc2c(cc1O)OCO2	840832687	DMTOLPKGODQXJQ-GFCCVEGCSA-N	278.308	1.350	10	20	CDCD	
COc1cccc(CN[C@@H]2CCC[C@@H](N)C2)c1O	841055298	MWZNBNXATDXCHV-VXGBXAGGSA-N	250.342	1.760	10	20	CDCD	
C[C@H](NC[C@@H](O)CN(C)C)c1ccc(Cl)cc1O	841765270	WYTLMGVPBKQZRF-GXSJLCMTSA-N	272.776	1.619	10	20	CDCD	
CC(C)C[C@@H](CN)NCc1ccc(N2CCOCC2)cc1	841038605	LSRZWEYKWCWTJU-INIZCTEOSA-N	291.439	1.986	10	20	CDCD	
CN1CCN(c2ccc(CN3CCC(N)CC3)cc2)CC1	843047012	DEKMIOHTYLTGAP-UHFFFAOYSA-N	288.439	1.362	10	20	CDCD	
CCOc1ccc(N(CC)Cc2nc(=O)n(C)[nH]2)cc1	754059242	XMSUCZLLIYQISB-UHFFFAOYSA-N	276.340	1.534	10	20	CDCD	
CN(Cc1c(O)ccc2ccncc12)[C@H]1CCNC1=O	758406997	JJEHRRUBIJBSBS-ZDUSSCGKSA-N	271.320	1.261	10	20	CDCD	
CCOc1ccc(CN[C@@H]2COC[C@H]2C)c(O)c1	922641459	LTCBOJNBBFDEHM-ZWNOBZJWSA-N	251.326	1.915	10	20	CDCD	
Cc1cc(CNC(=O)NCc2ccccc2O)ncn1	757047769	DXFJGXJNWVXQAY-UHFFFAOYSA-N	272.308	1.490	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1CSC1	867302348	OFZQMUGSNKHZEC-MRVPVSSYSA-N	267.350	1.508	10	20	CDCD	
CCn1ncc(CN(C)c2ccc(OCC(=O)O)cc2)n1	863466964	JCAOOKQUKMQFRX-UHFFFAOYSA-N	290.323	1.398	10	20	CDCD	
COC(=O)c1cnc(SCC(C)(CO)CO)s1	1118480319	YHACCMHKVRHNIF-UHFFFAOYSA-N	277.367	1.013	10	20	CDCD	
Oc1ccccc1CNC(=S)NCc1ccon1	764462333	IVOSTGQAFAXCKS-UHFFFAOYSA-N	263.322	1.545	10	20	CDCD	
CSCC[C@H](NCc1ccc2c(c1)CCO2)C(=O)O	1116780353	ZPGJJEHBMHYPQL-LBPRGKRZSA-N	281.377	1.917	10	20	CDCD	
C[C@@H]1CCN[C@@H](C(=O)N[C@H](C)c2ccccc2O)C1	877255870	JBTJXIMWSUZDSS-NQBHXWOUSA-N	262.353	1.958	10	20	CDCD	
COc1cc(O)c(CN2C[C@@H]3CC[C@H](C2)N3)cc1OC	873217896	UCZQRZXIUNGCNF-TXEJJXNPSA-N	278.352	1.346	10	20	CDCD	
C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	773741210	TVXAINGUGCIZDC-JFGNBEQYSA-N	279.336	1.570	10	20	CDCD	
COc1ccc(N2CCN(C(=O)[C@@H](C)N(C)C)CC2)cc1	873779192	QFXGJBBJLOSBBB-CYBMUJFWSA-N	291.395	1.294	10	20	CDCD	
C[C@@H](NC(=O)NC1(C(=O)O)CC1)c1ccc(N(C)C)cc1	1119643752	QJHFCMZWQYXHLT-SNVBAGLBSA-N	291.351	1.730	10	20	CDCD	
CNC(=O)C1(NCc2cccc(C)c2O)CCCC1	779173228	CTWDMLHYPNDSHU-UHFFFAOYSA-N	262.353	1.849	10	20	CDCD	
CN(CC(C)(C)O)C(=O)/C=C\c1ccc(O)c(O)c1	779529605	FLAPGGUHECXBKB-ALCCZGGFSA-N	265.309	1.340	10	20	CDCD	
COCC1(C(=O)NCc2cc(OC)ccc2O)CCC1	786409330	MMAGXPINJJHMKA-UHFFFAOYSA-N	279.336	1.834	10	20	CDCD	
Cc1cc(O)c(CN2CC[C@@H](CS(N)(=O)=O)C2)cc1C	897057523	DZHYSFTZKJROLT-GFCCVEGCSA-N	298.408	1.119	10	20	CDCD	
CCN(Cc1cc(C)cc(OC)c1O)[C@@H](C)CO	894863301	XJTZEAKEMDQADJ-NSHDSACASA-N	253.342	1.912	10	20	CDCD	
COc1ccc(CN2CCO[C@H](CF)C2)c(O)c1OC	894887519	IABCRPOHAZRJDZ-LLVKDONJSA-N	285.315	1.580	10	20	CDCD	
COC(=O)[C@H]1C[C@@H](O)CN1Cc1cc(Cl)c(C)cc1O	1207776810	ZTGHCLMSCIUIDI-ZYHUDNBSSA-N	299.754	1.462	10	20	CDCD	
CCN(CC)C(=O)CN(C)Cc1cc(OC)ccc1O	133393363	OZSQKPIYLZBQIK-UHFFFAOYSA-N	280.368	1.701	10	20	CDCD	
Cc1cc(O)ccc1NS(=O)(=O)c1cnc[nH]1	80357863	TWCCECIQSSIUHH-UHFFFAOYSA-N	253.283	1.225	10	20	CDCD	
CNC(=O)C(C)(C)CNCc1cccc(C)c1O	224915647	IXFJMEUNZNMXAS-UHFFFAOYSA-N	250.342	1.562	10	20	CDCD	
CCn1cc(NC(=O)c2cccc(O)c2O)ccc1=O	186989973	FISXDTLMBYJBKR-UHFFFAOYSA-N	274.276	1.532	10	20	CDCD	
CN(C)c1ncccc1NC(=O)c1cccc(O)c1O	188404727	ZOIBWQMBYAWKDE-UHFFFAOYSA-N	273.292	1.811	10	20	CDCD	
CN1CCN(Cc2ccc(N3CCCC3)cc2)[C@@H](CN)C1	1326236758	NPHXOHOCWQRTCE-KRWDZBQOSA-N	288.439	1.362	10	20	CDCD	
CN(C)c1ccc(CN[C@H]2CCO[C@@](C)(C(=O)O)C2)cc1	1332031736	XVPDAYUKFGBJCH-XJKSGUPXSA-N	292.379	1.865	10	20	CDCD	
Nc1ccc(CNC(=O)NCCN2CC=CCC2)cc1	1335725971	PCEKFZBGRQLUMI-UHFFFAOYSA-N	274.368	1.330	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N[C@@]2(C)CCOC2=O)cc1	1346230661	LFWALDHOJRYNNI-HNNXBMFYSA-N	291.351	1.257	10	20	CDCD	
CNC(=O)c1cccc(C(=O)N(C)Cc2ccccc2O)n1	1340448256	XSIACYUQUJBVSQ-UHFFFAOYSA-N	299.330	1.419	10	20	CDCD	
CN(Cc1ccccc1O)c1nnc(-c2nccn2C)n1C	1351407255	MJEDKLKDRHJFPC-UHFFFAOYSA-N	298.350	1.558	10	20	CDCD	
CN(C)C1(CNC(=O)NCc2ccc(N)cc2)CCC1	1357351170	NUSPDTYFTTXUBU-UHFFFAOYSA-N	276.384	1.552	10	20	CDCD	
COC[C@@]1(C(=O)O)CN(Cc2cccc(C)c2O)CCO1	1593982882	DGVRISVVKMASIA-OAHLLOKOSA-N	295.335	1.003	10	20	CDCD	
Cn1cc([C@@H]2CCCN2C(=O)Cc2ccc(N)cc2)cn1	167624199	HLHRXSJQNITXJH-HNNXBMFYSA-N	284.363	1.909	10	20	CDCD	
CCN[C@H]1C[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1	1023149975	PIYXSANJSKSKGW-TXEJJXNPSA-N	289.339	1.719	10	20	CDCD	
CON(C)C(=O)CNCc1ccc2c(c1)CCCO2	922379612	IEJFNXMHNLFCDB-UHFFFAOYSA-N	264.325	1.121	10	20	CDCD	
CC[C@]1(C(=O)N(C)Cc2ccccc2O)CCCN1	128941619	IAZGHIUEOBYXFD-OAHLLOKOSA-N	262.353	1.883	10	20	CDCD	
Nc1ccc(CC(=O)NCCCCCCC(=O)O)cc1	40479766	SEJCGKGCZJJPGL-UHFFFAOYSA-N	278.352	1.963	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)c1ccc(O)nn1	48606724	HCDOLFOPJKHEHC-UHFFFAOYSA-N	259.265	1.160	10	20	CDCD	
CC(C)[C@H]1NCC[C@@H]1C(=O)N(C)Cc1ccccc1O	289561376	LAHHIRWOCQLBMZ-DZGCQCFKSA-N	276.380	1.985	10	20	CDCD	
Oc1cccc(Cl)c1CNC[C@H]1CN2CCC[C@@H]2CO1	83552482	QFTJDBXOORTOFQ-NEPJUHHUSA-N	296.798	1.998	10	20	CDCD	
COC[C@]1(C(=O)NCc2ccccc2O)CCCCN1	692202067	CWVUOVSGQDVIRL-HNNXBMFYSA-N	278.352	1.167	10	20	CDCD	
Cc1ccc(C(=O)N[C@H]2[C@@H]3CCO[C@@H]3C2(C)C)c(O)c1O	179514359	AFPZIIGSXDERTG-BPNCWPANSA-N	291.347	1.950	10	20	CDCD	
Cc1ccc(C)n1-c1ccc(C(=O)NCCC(N)=O)cc1	175433254	ZUCOLAHBYCEORO-UHFFFAOYSA-N	285.347	1.699	10	20	CDCD	
O=S1(=O)CC[C@@H](NCc2cccc(Cl)c2O)C1	124500316	BGCWGJWSGKQVSW-SECBINFHSA-N	275.757	1.322	10	20	CDCD	
COc1ccc(CNC[C@H]2COCCO2)cc1C	37998249	ZOEYCTNLLNVENG-ZDUSSCGKSA-N	251.326	1.509	10	20	CDCD	
CN(C)c1ccc(CN(C)[C@@H]2CCCCNC2=O)cc1F	123879619	HSVGDZAMSOQEIZ-OAHLLOKOSA-N	293.386	1.992	10	20	CDCD	
O=S(=O)(Nc1ccc(O)cc1F)N1CCCCC1	85203946	SHIHAGOFOBJYMW-UHFFFAOYSA-N	274.317	1.674	10	20	CDCD	
CSCC[C@H](N)C(=O)N(C)Cc1ccccc1O	40468623	UPLCCINPHSDSOT-NSHDSACASA-N	268.382	1.431	10	20	CDCD	
CNC(=O)N1CCN(c2ccc(OC)c(F)c2)CC1	84732713	XHOKKMNMCRMBJG-UHFFFAOYSA-N	267.304	1.296	10	20	CDCD	
C[C@]1(C(N)=O)CCN(Cc2cc(F)ccc2O)C1	235743374	HQOGSXGXQHOMQC-ZDUSSCGKSA-N	252.289	1.229	10	20	CDCD	
CNC(=O)[C@H]1CCCN(Cc2cc(C)ccc2O)C1	93361174	NZNRXDVFWFHBNM-LBPRGKRZSA-N	262.353	1.659	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)[C@@]1(F)CCNC1	363750651	NUTACOVRFNVAKP-OAHLLOKOSA-N	280.343	1.832	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H]1CCOC1	272365180	CPNCBSVVBKWEDU-FWEMWIAWSA-N	263.293	1.264	10	20	CDCD	
CC(=O)C(=O)CSc1nnnn1-c1ccc(C)c(C)c1	289530313	DTOANGVZIHPTBY-UHFFFAOYSA-N	290.348	1.529	10	20	CDCD	
CN1CCC2(CCN(Cc3cc(F)ccc3O)CC2)C1=O	370082140	LSXVXPJVVYAQFO-UHFFFAOYSA-N	292.354	1.976	10	20	CDCD	
CCOCC[C@@H](O)CSc1ncc(C(=O)OC)s1	296136628	MBIWJPURIVSBKE-MRVPVSSYSA-N	291.394	1.809	10	20	CDCD	
O=C1O[C@H]2C[C@H]1N(Cc1cccc(Cl)c1O)C2	294863393	UBHOQFFNQXWVQO-WCBMZHEXSA-N	253.685	1.545	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@H](CN)C2CC2)c1	817959278	FADFYZMGXJDHNC-TVQRCGJNSA-N	278.352	1.567	10	20	CDCD	
Oc1c(CNC[C@@]2(O)CCOC2)ccc2ccccc12	816558853	NNHVLYHQOXOECH-INIZCTEOSA-N	273.332	1.786	10	20	CDCD	
C[C@@H](NCCNC1CC1)c1cc([N+](=O)[O-])ccc1O	817953969	TXQOBYDSVNFEIB-SECBINFHSA-N	265.313	1.703	10	20	CDCD	
Cc1cc(CN2C[C@@H]3C[C@@]3(CO)C2)ccc1N(C)C	815099844	MXQZRXVEOYCWML-HOCLYGCPSA-N	260.381	1.875	10	20	CDCD	
C[C@H](CCCCN)NC[C@@H](N)c1ccc(N(C)C)cc1	817939164	AAMYSYNEGQORCW-CZUORRHYSA-N	278.444	1.860	10	20	CDCD	
C[C@@H](CNCc1cc([N+](=O)[O-])ccc1O)N(C)C	824988546	MUAOACOIPVKZSP-VIFPVBQESA-N	253.302	1.340	10	20	CDCD	
C[C@@H](NC(=O)COC[C@@H]1CCCO1)c1ccccc1O	827937594	ZQZUIKAWIXTMCJ-NEPJUHHUSA-N	279.336	1.765	10	20	CDCD	
COc1cc(O)c(CNC[C@H](CO)CC2CC2)cc1OC	827359880	UYOXTTKFGPVCEA-GFCCVEGCSA-N	295.379	1.908	10	20	CDCD	
CN(C)c1ccc(CN[C@H](C(=O)O)C2CC2)cc1F	901477292	NJSYBJSLQKZOIP-ZDUSSCGKSA-N	266.316	1.845	10	20	CDCD	
CN1C[C@H]2CC[C@H]1[C@@H](CNC(=O)c1cccc(O)c1O)C2	909754841	VVXCEYTZJDVQBE-LOWVWBTDSA-N	290.363	1.558	10	20	CDCD	
Cc1cccc(N(CC(=O)O)C(=O)/C=C/c2cnccn2)n1	738718960	DBUQSNAYFQNOET-AATRIKPKSA-N	298.302	1.311	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1cnc[nH]1	907275550	VWBSOVFORIUXNN-VIFPVBQESA-N	275.308	1.111	10	20	CDCD	
C[C@@H](NC[C@]1(C)CCC(=O)N1)c1cc(F)ccc1O	834908899	MQOMFVQOMMBREQ-OTYXRUKQSA-N	266.316	1.851	10	20	CDCD	
CCCN(CCO)c1ccc(/C=C\C(=O)O)cc1[N+](=O)[O-]	737020401	XXOQCQMEXCUIQZ-XQRVVYSFSA-N	294.307	1.901	10	20	CDCD	
Nc1ccc(CC(=O)N[C@@H]2CCO[C@H](C3CC3)C2)cc1	832002187	DNWUBSNVKQRKDG-CABCVRRESA-N	274.364	1.885	10	20	CDCD	
Cc1nn(C)c2ncc(/C=C3/SC(=S)NC3=O)cc12	748514378	VZPPNLNRNZBWDT-RUDMXATFSA-N	290.373	1.766	10	20	CDCD	
CN(C)c1ccc([C@H](N)CNCC2CCNCC2)cc1	843125967	LRVXXSATGPAOOU-MRXNPFEDSA-N	276.428	1.342	10	20	CDCD	
Oc1ccc2c(c1CNc1nccn3nnnc13)CCCC2	749147014	AQPNFRANSBQNNM-UHFFFAOYSA-N	296.334	1.716	10	20	CDCD	
C[C@@H](NC[C@@H](O)CN(C)C)c1ccc(Cl)cc1O	841765272	WYTLMGVPBKQZRF-MWLCHTKSSA-N	272.776	1.619	10	20	CDCD	
COC(=O)COc1ccc(N(C)CC(C)(C)N)cc1	843119600	VGWJHCOJQSKDQI-UHFFFAOYSA-N	266.341	1.412	10	20	CDCD	
CCOc1ccc(O)c(CN[C@@H](CO)CCF)c1	846097259	OYZFKEGJVCZDQL-LLVKDONJSA-N	257.305	1.601	10	20	CDCD	
CC1(CNC(=O)C(=O)Nc2ccc(N)cc2)CCCC1	841032573	FBZBCWBHOXDNJI-UHFFFAOYSA-N	275.352	1.904	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCC(=O)C1	843851521	NGSLLWPXYIGRRG-KOLCDFICSA-N	277.320	1.514	10	20	CDCD	
NC[C@H]1CN(Cc2cc(F)ccc2O)CC12CCOCC2	843124659	FCCXPZTVCQFPES-ZDUSSCGKSA-N	294.370	1.719	10	20	CDCD	
COc1ccc2c(c1)CCCN2Cn1nc(C)oc1=O	853504299	PBKZNNXIPHWRFQ-UHFFFAOYSA-N	275.308	1.564	10	20	CDCD	
CCCN(Cc1ccccc1O)c1ncnc2c1nnn2C	853450650	HQJROSWLTCWJCT-UHFFFAOYSA-N	298.350	1.881	10	20	CDCD	
O=C(NCc1cc(Cl)ccc1O)c1cnns1	857547548	JMEYGBKJUTUSKY-UHFFFAOYSA-N	269.713	1.827	10	20	CDCD	
CCOC(C)(C)C(=O)NCc1cccc(OC)c1O	866764348	SULHWGYHEIFUAH-UHFFFAOYSA-N	267.325	1.832	10	20	CDCD	
COc1ccc(CNC(=O)c2nc(C)no2)c(O)c1	865989195	UISADSFBZRVWHO-UHFFFAOYSA-N	263.253	1.022	10	20	CDCD	
CCN1CC[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1	1039061528	QPMHUMHAYSEAON-LBPRGKRZSA-N	289.339	1.673	10	20	CDCD	
COCCN(CCC(=O)OC)Cc1c(C)cccc1O	876737985	WMSBHWLBOKGACN-UHFFFAOYSA-N	281.352	1.712	10	20	CDCD	
CC[C@](C)(CNCc1cc([N+](=O)[O-])ccc1O)C(=O)O	1116812428	GHZWFXSGJNQRSB-CYBMUJFWSA-N	282.296	1.891	10	20	CDCD	
CCS(=O)(=O)C[C@@H](C)NCc1ccc(N(C)C)cc1C	775396957	YZCJGNYTJJBBAG-CYBMUJFWSA-N	298.452	1.974	10	20	CDCD	
Cn1cccc1C(=O)COC(=O)c1cccc(O)c1O	776281441	CYJSXZNSNWYXSK-UHFFFAOYSA-N	275.260	1.476	10	20	CDCD	
Oc1cc2c(cc1CN1CCC(F)(F)C1)[C@@H](O)CO2	776293820	OGKITCUCUXAUIU-NSHDSACASA-N	271.263	1.659	10	20	CDCD	
CN(CC(=O)NCCc1ccc(N)cc1)CC(C)(C)C	876528733	XJILKYOJPQFBHT-UHFFFAOYSA-N	277.412	1.905	10	20	CDCD	
CNC(=O)[C@@H]1CCC[C@H]1NCc1cccc(C)c1O	776253511	XDZLQDFDIMFEHI-CHWSQXEVSA-N	262.353	1.705	10	20	CDCD	
Oc1c(Br)cccc1CN1C[C@@H]2CNC[C@@H]2C1	770396215	ZAPVXUFEKOXDDG-PHIMTYICSA-N	297.196	1.806	10	20	CDCD	
C[C@@H]1CN(C(=O)NCc2ccc(N)cc2)C[C@H](C2CC2)O1	1120591992	OGVJYEFVLYDMJO-IAQYHMDHSA-N	289.379	1.978	10	20	CDCD	
COc1cc(C)cc(CN[C@@H](C)C(=O)NCCF)c1O	894665658	CLZGKWKEGYFRHM-JTQLQIEISA-N	284.331	1.273	10	20	CDCD	
CCN(CC(N)=O)Cc1cc(Cl)cc(F)c1O	789596085	KMMLTOWZQGNBHO-UHFFFAOYSA-N	260.696	1.492	10	20	CDCD	
COCC1CN(Cc2ccc(N(C)C)c(F)c2)C1	895971926	XOXXCUQUEASMES-UHFFFAOYSA-N	252.333	1.970	10	20	CDCD	
CN(C)c1ccc(CN[C@H]2CCOC2=O)cc1F	895800747	GIQONPYWZTWOEH-NSHDSACASA-N	252.289	1.297	10	20	CDCD	
COc1cccc(O)c1CNC[C@H]1CC(C)=NO1	895310474	HVPXHEOZQPMXQW-SNVBAGLBSA-N	250.298	1.655	10	20	CDCD	
Nc1cc(COC(=O)/C=C/c2ccc(O)c(O)c2)ccn1	792042318	SHDRWJCDGTWLTF-DUXPYHPUSA-N	286.287	1.832	10	20	CDCD	
Cc1cnn(C)c1/C=C1\SC(N2CCOCC2)=NC1=O	794696373	FKTOMNAHTGJWJP-XFFZJAGNSA-N	292.364	1.031	10	20	CDCD	
COc1cc(C)cc(CN2CC[C@@](C)(C(N)=O)C2)c1O	794716391	RWSWYYYKIMEDOZ-OAHLLOKOSA-N	278.352	1.407	10	20	CDCD	
CCC[C@H](O)CCNC(=O)Cc1ccc(N)cc1	1341085865	COZHXUTXTPKOKX-ZDUSSCGKSA-N	250.342	1.479	10	20	CDCD	
CCOc1cccc(CNCCNC(=O)C2CC2)c1O	134225367	VCKFFOOMDDOIRO-UHFFFAOYSA-N	278.352	1.407	10	20	CDCD	
CN1CCN(CCCNCc2ccccc2O)CC1	20128372	LIUMXZPNZPEQRR-UHFFFAOYSA-N	263.385	1.119	10	20	CDCD	
C[C@H](NCCCN1CCN(C)CC1)c1ccccc1O	20128399	XUMAYFVUUAQTHJ-AWEZNQCLSA-N	277.412	1.680	10	20	CDCD	
CSCCNC(=O)NCc1ccc(N(C)C)cc1	726189461	ZHSCVMMATIAKCO-UHFFFAOYSA-N	267.398	1.915	10	20	CDCD	
COCC[C@@H]1COCCN1C(=O)NCc1ccc(N)cc1	1262603361	GGCMSWBRNFASHI-CQSZACIVSA-N	293.367	1.216	10	20	CDCD	
C[C@@H](NCCCCN)c1cc([N+](=O)[O-])ccc1O	1348852370	LCSDJKWFYOLGRJ-SECBINFHSA-N	253.302	1.690	10	20	CDCD	
CN(Cc1ccc(-c2nn[nH]n2)cn1)Cc1ccccc1O	1604807048	GUNHMTVLAWPGMA-UHFFFAOYSA-N	296.334	1.599	10	20	CDCD	
O=C(O)[C@@H]1C[C@@H](O)CN1Cc1cc(Cl)c(F)cc1O	1601770787	BRXXYVUEUFJKTM-XCBNKYQSSA-N	289.690	1.205	10	20	CDCD	
CC(C)(C(=O)O)C(=O)COC(=O)c1cc(O)cs1	1603241625	BQSMKSYCFDXZKI-UHFFFAOYSA-N	272.278	1.290	10	20	CDCD	
COc1cc(CNCC2(O)CNC2)c(O)c(C(C)(C)C)c1	1579152743	FOODGVICZSAKAH-UHFFFAOYSA-N	294.395	1.122	10	20	CDCD	
CC[C@@H](NCCS(=O)(=O)CC)c1ccccc1O	155606323	XQUBVBUUBWUDPD-GFCCVEGCSA-N	271.382	1.868	10	20	CDCD	
O=C1NCCC[C@@H]1CNCc1c(O)cccc1Cl	839196606	WIRKUPDNMJQOHU-SECBINFHSA-N	268.744	1.661	10	20	CDCD	
CC[C@H]1CN(C(=O)c2cccc(O)c2O)[C@@H](C)CO1	403828483	AGAORSDLGHRMAV-UWVGGRQHSA-N	265.309	1.737	10	20	CDCD	
CCn1cc(CNCc2cc(OC)ccc2O)nn1	404482772	YELGQZQZNBDRCW-UHFFFAOYSA-N	262.313	1.302	10	20	CDCD	
Cn1cc2c(NCc3ccc(O)c(O)c3)ncnc2n1	119649181	UYOMNJILPZDXGC-UHFFFAOYSA-N	271.280	1.387	10	20	CDCD	
CC(C)N(C)CCNC(=O)NCc1ccc(N(C)C)cc1	101934027	LSNJJFCTHMQKMX-UHFFFAOYSA-N	292.427	1.892	10	20	CDCD	
CCNC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	55329296	OJASLYBBPGKSHB-UHFFFAOYSA-N	295.358	1.606	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)c1cnsn1	173196260	RHQYWKYEZUUEBB-UHFFFAOYSA-N	290.348	1.643	10	20	CDCD	
CCOc1ccc(O)c(CNCCN(CC)CCO)c1	184545559	OJHXGSSGPHIUCB-UHFFFAOYSA-N	282.384	1.195	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)CNC(C)=O)cc1	79390538	GAAOCVMZHRDEPP-UHFFFAOYSA-N	277.368	1.285	10	20	CDCD	
COc1ccc(O)c(CN2CC[C@@H](N)[C@@H](C)C2)c1	227057163	DPCZEUXCZUOMLI-GXFFZTMASA-N	250.342	1.570	10	20	CDCD	
COc1cccc(CN2CCNC(=O)C2(C)C)c1O	93084735	RSXVQUNYJFBKPO-UHFFFAOYSA-N	264.325	1.111	10	20	CDCD	
CCCN(C)CC(=O)N1CCOc2cc(N(C)C)ccc21	437003111	AYQBLOXPYCFJHA-UHFFFAOYSA-N	291.395	1.820	10	20	CDCD	
CCNC(=O)CCCC(=O)NCc1ccc(O)c(O)c1	269105252	QCEOKIJYGRRQNH-UHFFFAOYSA-N	280.324	1.020	10	20	CDCD	
O=C1N[C@H](c2cccc(Cl)c2O)N2CCSC[C@@H]12	270853571	ZCVKKEBHKOHURL-ONGXEEELSA-N	284.768	1.591	10	20	CDCD	
C[C@@H](N[C@@H](CO)c1cnn(C)c1)c1ccc(F)cc1O	273521555	UMVCCAOIWDRUNS-RNCFNFMXSA-N	279.315	1.649	10	20	CDCD	
CC(C)CS(=O)(=O)N1CCOc2cc(N(C)C)ccc21	360030453	GZLQSVDQHUQTDB-UHFFFAOYSA-N	298.408	1.937	10	20	CDCD	
Cc1ccc([C@@H](C)NCCS(C)(=O)=O)c(O)c1C	273603186	SNCPPWXHIGGMRI-LLVKDONJSA-N	271.382	1.704	10	20	CDCD	
CNC(=O)CCCN(C)C(=O)/C=C/c1ccc(O)c(O)c1	272690836	UJRSGAKVEOGDOO-SOFGYWHQSA-N	292.335	1.096	10	20	CDCD	
C[C@H](N[C@H](C)c1cc(F)ccc1O)C(=O)NCCF	282437411	DOZMPDXZSPDZCP-BDAKNGLRSA-N	272.295	1.656	10	20	CDCD	
C[C@@H](COCC(F)(F)F)NC(=O)c1cccc(O)c1O	280419421	IAZDNIMCWRDMLP-ZETCQYMHSA-N	293.241	1.795	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@H](N)C1CCOCC1	282270982	IBWJPBWXCICEOA-CQSZACIVSA-N	278.352	1.105	10	20	CDCD	
CCOc1ccc(CN[C@@H](C)C(=O)NCCF)c(O)c1	800291485	AUYKJNOGAHBITF-JTQLQIEISA-N	284.331	1.355	10	20	CDCD	
O=C(NCc1ccccc1O)N[C@@H]1CCN2CCCC[C@H]12	299546572	WLRZPGNSSLTWNK-ZIAGYGMSSA-N	289.379	1.818	10	20	CDCD	
C[C@H](CC[S@@](C)=O)NC(=O)c1c(F)ccc(O)c1O	294804272	CDWXVCZHBHWGRX-QOLSBQFWSA-N	289.328	1.124	10	20	CDCD	
CCOCC[C@@H](O)CNCc1ccc(N(C)C)c(F)c1	818985519	VXJYRAQAJPXTPF-CYBMUJFWSA-N	284.375	1.769	10	20	CDCD	
NCCNCc1cc(Br)cc(F)c1O	715713127	OKQAZPZDJQXOJJ-UHFFFAOYSA-N	263.110	1.342	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)c2ccc(O)nn2)c1	728980328	BONMYXJMIAHYIQ-QMMMGPOBSA-N	289.291	1.387	10	20	CDCD	
Oc1ccc(F)cc1CNC1CCN([C@H]2CCOC2)CC1	827549229	FCZFQRZRYMLDOC-HNNXBMFYSA-N	294.370	1.874	10	20	CDCD	
COCCCNC(=O)CN[C@@H](C)c1cc(OC)ccc1O	839539356	KZHZYGFUPRUKMJ-NSHDSACASA-N	296.367	1.204	10	20	CDCD	
Cc1cnn(C)c1CN(C)c1ccc(OCC(=O)O)cc1	902016013	IVTLWUKCLCAIHQ-UHFFFAOYSA-N	289.335	1.828	10	20	CDCD	
Cc1cn(C)nc1C(=O)NCc1ccc(N(C)C)cc1	839470177	ONXSXMZFQCQDFV-UHFFFAOYSA-N	272.352	1.725	10	20	CDCD	
COc1ccc(CNC(=O)[C@@H]2CCN[C@@H]2C)c(O)c1	832178650	VEIGVYKUZZLSFC-BXKDBHETSA-N	264.325	1.015	10	20	CDCD	
CCOC(=O)/C(=C\c1cnn(C)c1Cl)c1nccn1C	834417644	VRRVFYXXWAEKHG-YFHOEESVSA-N	294.742	1.911	10	20	CDCD	
CO[C@H](C1CC1)[C@@H](C)NC(=O)c1c(F)ccc(O)c1O	839787690	RSKKQGHICWNCTO-UHLUBPPHSA-N	283.299	1.780	10	20	CDCD	
COCCN(C/C=C\c1ccc(N(C)C)cc1)CC(=O)O	840995509	QFYLUGIUWCLTSX-PLNGDYQASA-N	292.379	1.799	10	20	CDCD	
C[C@H](N[C@H](C)CC(N)=O)c1ccc(Cl)cc1O	841760206	SADFJVXQYNVACJ-SFYZADRCSA-N	256.733	1.960	10	20	CDCD	
Cc1cccc(CN2CCO[C@H]([C@@H](C)N)C2)c1O	843056972	DKKYUYPTCPOFSA-YPMHNXCESA-N	250.342	1.249	10	20	CDCD	
COCC[C@@H](C)CNC(=O)NCc1cc(OC)ccc1O	840297578	JOVRJCMWBKXKDL-LLVKDONJSA-N	296.367	1.873	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN(C)[C@@H]1CCS(=O)(=O)C1	840907534	GMQRSUJRMFCNGN-OAHLLOKOSA-N	296.436	1.680	10	20	CDCD	
COc1cccc([C@@H](C)NCC(=O)NCC(F)F)c1O	846167965	PMNDGIAOFPXJHC-MRVPVSSYSA-N	288.294	1.433	10	20	CDCD	
O=C(O)CCC(=O)NCc1ccc(N2CCOCC2)cc1	842556356	SLSCYEFKONWGKA-UHFFFAOYSA-N	292.335	1.004	10	20	CDCD	
CNC[C@@H]1CCCN1Cc1ccc([N+](=O)[O-])c(OC)c1O	843056341	YLHXZPRFVVHPHH-NSHDSACASA-N	295.339	1.493	10	20	CDCD	
CCc1cccc(CN2CC(=O)N(C)C[C@H]2C)c1O	848905086	GQBLMPXSBAQTMS-LLVKDONJSA-N	262.353	1.617	10	20	CDCD	
COc1cccc([C@H](C)NCCCOCCO)c1O	846165573	OVWDPIVCAHRLSN-NSHDSACASA-N	269.341	1.450	10	20	CDCD	
Oc1ccc(Br)cc1CNC[C@@H]1CCCN1	841034508	DQSFCOHUNVMXGT-NSHDSACASA-N	285.185	1.996	10	20	CDCD	
NC(=O)NC(=O)CCCSc1ncc(Cl)s1	849998993	LSSBWZPCPKYLAZ-UHFFFAOYSA-N	279.774	1.864	10	20	CDCD	
Nc1ccc(CCNC(=O)[C@@H]2C[C@H]3CC[C@H]2NC3)cc1	841848124	WAPSRZKJUBIRMA-BPLDGKMQSA-N	273.380	1.316	10	20	CDCD	
COC(=O)C12CC(C(=O)NCc3ccc(O)c(O)c3)(C1)C2	843830139	CVJLCOHMMJJISJ-UHFFFAOYSA-N	291.303	1.057	10	20	CDCD	
C[C@@H](NC[C@@H](O)c1cnn(C)c1)c1cc(F)cc(F)c1O	756616375	ZCINGTQLTZCXAO-AMIZOPFISA-N	297.305	1.788	10	20	CDCD	
C[C@@H](NC(=O)NC[C@H]1CCN1C)c1ccc(N(C)C)cc1	922055264	OGTAQPLCLBKDRX-IUODEOHRSA-N	290.411	1.817	10	20	CDCD	
O=C(NC[C@@H]1CCCCS1(=O)=O)c1cc(O)cs1	753468206	DCFSGMVFSGUZOT-VIFPVBQESA-N	289.378	1.151	10	20	CDCD	
Cc1ccc(C(=O)NCC2SCCS2)c(O)c1O	856162134	NOAQHGACOHYFJJ-UHFFFAOYSA-N	285.390	1.942	10	20	CDCD	
O=C(c1cc(O)cs1)N1CCC[C@H]1c1ncon1	854580411	MJJQGDQSWOUPQL-QMMMGPOBSA-N	265.294	1.814	10	20	CDCD	
C[C@H](C[C@H]1CCOC1)NC(=O)c1cc(O)cs1	760141755	XOUGSXGMPZIUIQ-RKDXNWHRSA-N	255.339	1.999	10	20	CDCD	
CCn1cc(C(=O)N[C@H](C)c2cc(OC)ccc2O)nn1	934939860	DIXWLGVDVSKDJL-SECBINFHSA-N	290.323	1.503	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@@H]2CCc3nccn3C2)c1	862754748	IYLYPLCCVQSKLY-GFCCVEGCSA-N	285.347	1.776	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@@](C)(O)C(C)C)c1	862757377	RMCMBPKXGHZHTF-AWEZNQCLSA-N	251.326	1.724	10	20	CDCD	
O=C(NCc1ccccc1O)C(F)(F)C1(O)CCC1	764069781	PADDKUJSTFBJSJ-UHFFFAOYSA-N	271.263	1.559	10	20	CDCD	
COc1cccc(O)c1CN(C)CC(=O)NC1CC1	768204438	YSBFJVHWYSAWJU-UHFFFAOYSA-N	264.325	1.111	10	20	CDCD	
Cc1ccc(CN[C@@H](C)CS(C)(=O)=O)c(O)c1	877029189	UWNMFOZKBSFDSH-JTQLQIEISA-N	257.355	1.223	10	20	CDCD	
CC(C)N(CCO)Cc1ccc(N2CCC(O)CC2)cc1	876538421	INQDWNHESMZBDK-UHFFFAOYSA-N	292.423	1.850	10	20	CDCD	
C[C@@H](NC(=O)[C@H]1C[C@@]12CCCNC2)c1ccccc1O	870988159	HFICICNWDBDHCD-AXAPSJFSSA-N	274.364	1.959	10	20	CDCD	
C[C@@H](NCc1cc(F)cc(F)c1O)[C@H]1CN(C)CCO1	883051688	KMIRWPJCKWDMFM-NOZJJQNGSA-N	286.322	1.479	10	20	CDCD	
C[C@H]1OCC[C@@H]1C(=O)OCC(=O)c1ccc(O)c(O)c1	784492785	HEFFLQQRAYLIPX-SCZZXKLOSA-N	280.276	1.249	10	20	CDCD	
C[C@H](N[C@@H]1CC[C@H](C(N)=O)C1)c1c(O)cccc1F	886622295	PAMIBRMPSAIKMF-LPEHRKFASA-N	266.316	1.836	10	20	CDCD	
C[C@H](N[C@@H]1CCCCNC1=O)c1c(O)cccc1F	886501400	JEXXTRBKQVSIFZ-GXSJLCMTSA-N	266.316	1.851	10	20	CDCD	
COC[C@@H](NC(=O)c1ccc(C)c(O)c1O)C(C)C	780955018	SLJAOHQZRPNXOO-LLVKDONJSA-N	267.325	1.807	10	20	CDCD	
Cc1nc(CCNC(=O)c2c(F)ccc(O)c2O)cs1	791205180	PGERCZQVZRXFPU-UHFFFAOYSA-N	296.323	1.974	10	20	CDCD	
NC(=O)c1csc(NC(=O)c2c(F)ccc(O)c2O)n1	790071294	UTJUFYIETLMIEC-UHFFFAOYSA-N	297.267	1.045	10	20	CDCD	
OC[C@H](Oc1ccccc1O)[C@@H](O)c1ccc(O)c(O)c1	91691838	DOHRKVZLQIYIMC-GJZGRUSLSA-N	292.287	1.277	10	20	CDCD	
C[C@@H](CS(C)(=O)=O)NCc1ccc(N2CCCC2)cc1	78640380	KJBSVIYTNFTWKU-ZDUSSCGKSA-N	296.436	1.810	10	20	CDCD	
Cc1cccc(C(=O)NCCc2ccc(O)c(O)c2)n1	768900230	BEZWJLSCVGEJNB-UHFFFAOYSA-N	272.304	1.774	10	20	CDCD	
COc1cccc(CNCc2cnc3n2CCOC3)c1O	1333814666	QWYHWXZEMAIMPF-UHFFFAOYSA-N	289.335	1.417	10	20	CDCD	
CN(C)c1ccc(CNC(=O)C(=O)N2C[C@H]3C=C[C@H]2C3)cc1	1338403020	LFAFNKWLABEXKT-ZFWWWQNUSA-N	299.374	1.156	10	20	CDCD	
C[C@@H]1CCN(C(=O)NCc2ccc(N)cc2)C[C@@H]1CN	1346739309	PNAAPYQCPLXCQP-YPMHNXCESA-N	276.384	1.395	10	20	CDCD	
O=C(NCc1ccccc1O)[C@H]1C[C@H]2C=C[C@H]1NC2	1341703329	ODJAEUZDRAVGNX-KGYLQXTDSA-N	258.321	1.173	10	20	CDCD	
CN(C)c1ccc([C@@H](CNC(=O)CCCN)N(C)C)cc1	1341512754	MJPZJEUMJGTASY-OAHLLOKOSA-N	292.427	1.210	10	20	CDCD	
Cc1cc(CN[C@@H](C)c2cc(C(=O)O)ccc2O)n[nH]1	1600203827	WVEJRKUBWSVQFG-VIFPVBQESA-N	275.308	1.973	10	20	CDCD	
Cc1cc(O)c(CN2CCO[C@H]([C@H](C)N)C2)cc1Cl	1579638502	ZTVMHHSFQFLUMJ-HZMBPMFUSA-N	284.787	1.902	10	20	CDCD	
COc1ncncc1NC(=O)NCc1ccc(N)cc1	1579328779	DORWFGHLTVZJHQ-UHFFFAOYSA-N	273.296	1.389	10	20	CDCD	
C[C@H](NCC[C@H]1CCNC1)c1cc(C(=O)O)ccc1O	1593265162	QJUFFIAEPOCEMI-WDEREUQCSA-N	278.352	1.741	10	20	CDCD	
COC[C@](C)(CC(=O)O)NCc1cc2c(cc1O)OCO2	1599149280	BGBOCSOAGDZQNZ-AWEZNQCLSA-N	297.307	1.090	10	20	CDCD	
C[C@H]1CN(C(=O)c2c(F)ccc(O)c2O)C[C@]1(C)C(=O)O	1599923691	SJKQYGYHWIOFGG-WJWGPLDTSA-N	297.282	1.420	10	20	CDCD	
CN(C)c1ccc(CN2CCCC[C@@H]2C(N)=O)cc1	161978912	WNCWNKZIJBORNL-CQSZACIVSA-N	261.369	1.592	10	20	CDCD	
CCn1ccc(C(=O)NCCc2ccc(O)c(O)c2)n1	843833595	WLGOYKZAROYCJI-UHFFFAOYSA-N	275.308	1.287	10	20	CDCD	
Nc1ccc(CC(=O)NCCCOCC2CC2)cc1	35661361	HCWZLEKGWJXEJF-UHFFFAOYSA-N	262.353	1.744	10	20	CDCD	
Cn1nncc1CNCc1ccc(Br)cc1O	701116580	GVMSHLBQYUFGIQ-UHFFFAOYSA-N	297.156	1.573	10	20	CDCD	
COc1cccc(CNC(=O)c2cn(C)nc2C)c1O	172159620	OQUIAZCSMYNOAB-UHFFFAOYSA-N	275.308	1.373	10	20	CDCD	
CCN(C(=O)/C=C/c1cnn(C)c1)c1ccncc1	117664072	WIKBQPYRDZLVKJ-SNAWJCMRSA-N	256.309	1.881	10	20	CDCD	
C[C@@H]1CS(=O)(=O)CCN1Cc1cccc(Cl)c1O	180313431	LONVFDQPGYLSMU-SECBINFHSA-N	289.784	1.665	10	20	CDCD	
Cc1ccc(O)c([C@H](C)NCCCS(C)(=O)=O)c1	38047517	PQVWQIZQXYMHPU-NSHDSACASA-N	271.382	1.786	10	20	CDCD	
CC[C@@H](N)C(=O)NCc1ccc(N(C)C)c(F)c1	130415711	ZHHNMLNAEMJXPC-LLVKDONJSA-N	253.321	1.245	10	20	CDCD	
CC(C)N(C)CC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	183420507	CUADSFZGGKLHEX-NSHDSACASA-N	280.368	1.485	10	20	CDCD	
CSC[C@@H](C)NC(=O)/C=C/c1ccc(O)c(O)c1	181102934	QHXNTDUMGIPSTP-OTQAPUNGSA-N	267.350	1.979	10	20	CDCD	
Cc1ccc(C(=O)NC[C@@H]2CC[C@H](O)C2)c(O)c1O	191344041	ASFMCGCUAFODBD-ZJUUUORDSA-N	265.309	1.297	10	20	CDCD	
COc1ccc(O)c(CN2CCO[C@H]([C@H]3CCCO3)C2)c1	245944237	VFODKLMUQSGBOI-CVEARBPZSA-N	293.363	1.781	10	20	CDCD	
CCOc1ccc(O)c(CNCC2(O)CCN(C)CC2)c1	265913410	YOAYHYHAJQIOFI-UHFFFAOYSA-N	294.395	1.337	10	20	CDCD	
COC(=O)[C@H](C)CN(C)C(=O)c1ccc(C)c(O)c1O	267557096	FKRYUXNJMBBMRF-SECBINFHSA-N	281.308	1.287	10	20	CDCD	
COc1cc(O)c(CN2CCO[C@H]3C[C@H]32)cc1OC	368313846	WZQBEQAYIVZPHZ-PWSUYJOCSA-N	265.309	1.383	10	20	CDCD	
CCOc1ccc(O)c(CN2CCC[C@H](O)C2)c1	271028737	XKVPOOHLRWQKIU-LBPRGKRZSA-N	251.326	1.748	10	20	CDCD	
Cc1ccc(C(=O)NOC[C@@H]2CCOC2)c(O)c1O	276410942	HYKPUMAXDKVSTC-SECBINFHSA-N	267.281	1.104	10	20	CDCD	
OCCCN1CCC[C@@H](NCc2c(O)cccc2Cl)C1	295130168	OLHQDJFCVOVWCY-GFCCVEGCSA-N	298.814	1.982	10	20	CDCD	
CC[C@@H]1CN(C(=O)c2cc(O)cs2)C[C@H](C)[S@@]1=O	807687832	CUMBEQWXRSQZBJ-RIORVDOWSA-N	287.406	1.825	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@H]2CCCNC2)c1	817942368	YCIYDHLWNWGYKK-JQWIXIFHSA-N	278.352	1.581	10	20	CDCD	
Cc1ccncc1NC(=O)C(=O)NCc1ccccc1O	729788211	NADGHFOSKDPVMA-UHFFFAOYSA-N	285.303	1.351	10	20	CDCD	
O=C(O)CCCCNCc1cc([N+](=O)[O-])ccc1O	821521860	PCYQFWRMARPMDM-UHFFFAOYSA-N	268.269	1.645	10	20	CDCD	
Cc1ccc(C(=O)N[C@H](C(=O)O)C(C)C)c(O)c1O	821064106	SKJNFLLLFITPNJ-VIFPVBQESA-N	267.281	1.245	10	20	CDCD	
C[C@H](NC(=O)c1c(F)ccc(O)c1O)C(C)(C)CN(C)C	826069460	YKKIPRUESLNSOD-VIFPVBQESA-N	298.358	1.943	10	20	CDCD	
CCOc1ccc(CN2CC(OCCOC)C2)c(O)c1	838988062	RVPWPNNWYQRAES-UHFFFAOYSA-N	281.352	1.638	10	20	CDCD	
O=C(O)/C=C/c1ccc(N2CCC[C@H]2CO)c([N+](=O)[O-])c1	739627253	XSBFUUJMMVWWJC-MALLOTDXSA-N	292.291	1.654	10	20	CDCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1C[C@@H]1C(=O)O	830643185	FFTIBVYKNCKZHL-QWRGUYRKSA-N	290.319	1.199	10	20	CDCD	
CCOC(=O)/C(=C/c1cnn(C)c1Cl)c1nccn1C	834417643	VRRVFYXXWAEKHG-JXMROGBWSA-N	294.742	1.911	10	20	CDCD	
COc1cccc(CNC(=O)CCc2ccon2)c1O	830541411	XMVBEKBRSYQGFW-UHFFFAOYSA-N	276.292	1.638	10	20	CDCD	
CN(C)c1ccc([C@H](N)CNC(=O)CCCCCN)cc1	841846525	PFLYSMMXXMIAAE-OAHLLOKOSA-N	292.427	1.388	10	20	CDCD	
Nc1ccc(CCNC(=O)NCCC2(O)CCC2)cc1	841902992	YNIVZGQCHJCSQU-UHFFFAOYSA-N	277.368	1.416	10	20	CDCD	
C[C@H]1[C@@H](CO)CCCN1C(=O)c1cccc(O)c1O	840558815	KOAVYZIUCNSHQI-VHSXEESVSA-N	265.309	1.331	10	20	CDCD	
COc1cccc(CN[C@@H]2CC[C@@H](CN)C2)c1O	841084530	KHFOMLYTPQLUJP-ZYHUDNBSSA-N	250.342	1.618	10	20	CDCD	
COc1ccc(N(C)CCN(C)C[C@@H](C)O)cc1	844401125	HXAUYPBIFQIBSC-GFCCVEGCSA-N	252.358	1.444	10	20	CDCD	
CCCN1CC(=O)N[C@H]1c1ccc(N(C)C)c(F)c1	840823772	CUBYYVPAAUMQJA-CQSZACIVSA-N	265.332	1.732	10	20	CDCD	
Cc1ccc(C(=O)O[C@@H](C)C(=O)N(C)C)c(O)c1O	750620222	WTVDCMLQWMOWJR-QMMMGPOBSA-N	267.281	1.040	10	20	CDCD	
CN1CCN(c2ccc(CN[C@H]3C[C@H](O)C3)cc2)CC1	850417487	ACZZVOULPMUVNT-KOMQPUFPSA-N	275.396	1.051	10	20	CDCD	
CC1=NO[C@@H](CNC(=O)c2ccc(C)c(O)c2O)C1	854800263	SFCPXBDUGSRXSV-SECBINFHSA-N	264.281	1.301	10	20	CDCD	
CN1CCN(Cc2c(O)cccc2Br)CC1=O	862246614	SFESOJWQWCVOHF-UHFFFAOYSA-N	299.168	1.429	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H]1CCC(=O)C1	935945459	YBGYDEQVCKVRDI-SNVBAGLBSA-N	282.336	1.863	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@H]2C[C@]23CCOC3)cc1	763381592	FBRIMQQBMFESHV-HOCLYGCPSA-N	274.364	1.795	10	20	CDCD	
COc1ccc(O)c(CNC(=O)[C@H](OC)C(C)C)c1	771415995	BBNBBJAAFBKDJS-CYBMUJFWSA-N	267.325	1.688	10	20	CDCD	
O=C(NCc1ccccc1O)N[C@@H]1CCO[C@H]1C1CC1	1122106595	QXJUOVMYPRPOHX-OCCSQVGLSA-N	276.336	1.759	10	20	CDCD	
C[C@H](NC(=O)C[C@@H]1COC(=O)C1)c1ccc(N(C)C)cc1	773017526	FCSCNOLIPPFXGG-RYUDHWBXSA-N	290.363	1.883	10	20	CDCD	
CCN(C)c1ccc(Cn2cc(CCCO)nn2)cc1	881315018	LCMOZEFZXZEKHP-UHFFFAOYSA-N	274.368	1.707	10	20	CDCD	
CCn1nncc1CN[C@@H](C)c1c(O)cccc1F	886641896	VGHAVMLANGHZOJ-VIFPVBQESA-N	264.304	1.994	10	20	CDCD	
C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1ncn(C)n1	781403499	ZCAQSMXQWVJYBO-DNQSNQRASA-N	288.307	1.117	10	20	CDCD	
O=C1CCCN1C1CN(Cc2c(O)ccc(Cl)c2F)C1	897783843	KCBHACMFRIDHIH-UHFFFAOYSA-N	298.745	1.991	10	20	CDCD	
Cc1nc(CN2CCN(Cc3ccccc3O)CC2)n[nH]1	895267232	RWZKCNTUGLHCEL-UHFFFAOYSA-N	287.367	1.137	10	20	CDCD	
COc1cc(C)cc(CN[C@@H]2CC[C@H](C(N)=O)C2)c1O	894939513	IASLBTIEBSHHJD-CMPLNLGQSA-N	278.352	1.453	10	20	CDCD	
COc1cc(C)cc(CN(C)CCC(N)=O)c1O	894755212	OSLLGPNTFBCLMB-UHFFFAOYSA-N	252.314	1.016	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)c(O)c1O	780950956	PIOSHTHSUHKIJW-GHMZBOCLSA-N	278.352	1.619	10	20	CDCD	
COC(=O)[C@H]1CCN(Cc2c(O)cccc2OC)[C@H]1C	787421509	STHJNGAUVINHGA-QWRGUYRKSA-N	279.336	1.784	10	20	CDCD	
COc1ccc(CNC(=O)c2cc(C3CC3)[nH]n2)c(O)c1	794382758	GXYZVDVMTFXONA-UHFFFAOYSA-N	287.319	1.931	10	20	CDCD	
COc1ccc(O)c([C@H](C)N[C@H]2CCN(C)C2)c1	42544477	XWLLTLJUKSCESQ-QWRGUYRKSA-N	250.342	1.756	10	20	CDCD	
CC(C)(F)CCNC(=O)C(=O)NCCc1ccc(N)cc1	1327515474	NUIWGZCXTZQMEG-UHFFFAOYSA-N	295.358	1.182	10	20	CDCD	
OCC[C@]1(NCc2ccc(N3CCCC3)cc2)CCOC1	1256042411	LIMNCRQZJZBAPK-KRWDZBQOSA-N	290.407	1.918	10	20	CDCD	
CC(C)(O)[C@H]1CCCN(C(=O)c2cccc(O)c2O)C1	719641251	ZLYGWFDXHDPGPX-JTQLQIEISA-N	279.336	1.721	10	20	CDCD	
CN(Cc1ccccc1O)c1nnc(CO)n1CC1CC1	1346936570	MXRSYNMLRMDBCS-UHFFFAOYSA-N	288.351	1.522	10	20	CDCD	
C[C@H]1C[C@H](C(=O)NCc2cccc(O)c2O)CO1	1352657854	NKDSJTRBIPFDFG-WPRPVWTQSA-N	251.282	1.139	10	20	CDCD	
Cn1nccc1[C@H](NCc1cc(F)c(F)cc1O)C(=O)O	1601034351	FTLUQJKKENLEHX-LBPRGKRZSA-N	297.261	1.319	10	20	CDCD	
COc1ccc(CNC(=O)N[C@H]2C[C@H](C(=O)O)C2)c(O)c1	1604792422	BVYISZNVVUSBTK-MGCOHNPYSA-N	294.307	1.063	10	20	CDCD	
O=C(O)/C=C/c1ccc(N2CCO[C@@H]3C[C@H]32)c([N+](=O)[O-])c1	1608660767	AUKCPZPXMOLQCO-WVSCJACDSA-N	290.275	1.670	10	20	CDCD	
Nc1ccc(CN[C@H](Cc2cncs2)C(=O)O)cc1	1601215967	MDHXTHAWFJDXMD-GFCCVEGCSA-N	277.349	1.511	10	20	CDCD	
COc1cc(/C=C/C(=O)O)ccc1OCC(=O)C(C)=O	1610293724	CZTIMMWMXQZVTN-GQCTYLIASA-N	278.260	1.330	10	20	CDCD	
C[C@H]1CC[C@H](NC(=O)NCc2c(O)cccc2F)CN1	1576667185	SGWFAJCIIRVONS-UWVGGRQHSA-N	281.331	1.471	10	20	CDCD	
COc1cccc(O)c1CNCC1(C(=O)O)CCOCC1	1594131771	KUGCGLLCJBBLGZ-UHFFFAOYSA-N	295.335	1.372	10	20	CDCD	
Cc1nn(C)cc1S(=O)(=O)Nc1ccc(O)cc1	11923735	PPKUCWNTVRLMEW-UHFFFAOYSA-N	267.310	1.235	10	20	CDCD	
CCONC(=O)NCCCSc1nccs1	164307944	JAQGGGUGAJGQHM-UHFFFAOYSA-N	261.372	1.876	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2c(C)nn(C)c2C)c1	153918170	YJCVLWFSEIAWIF-UHFFFAOYSA-N	289.335	1.681	10	20	CDCD	
CCCN(Cc1ccccc1O)C[C@H](O)CN(C)CC	846807126	AAQLGMHVUHKSIQ-OAHLLOKOSA-N	280.412	1.917	10	20	CDCD	
CC[C@@H](NC[C@H]1CCCNC1=O)c1ccccc1O	838911906	BSIAGQJKUAXLQK-DGCLKSJQSA-N	262.353	1.959	10	20	CDCD	
O=C(O)[C@@H]1CCCCN1C(=O)Cc1ccc(O)c(O)c1	1595161398	QWZXXXNNVJCPOW-JTQLQIEISA-N	279.292	1.106	10	20	CDCD	
Cc1nn(C)c(C)c1CNC(=O)c1cccc(O)c1O	126472450	WDBPNORIVNJYPK-UHFFFAOYSA-N	275.308	1.378	10	20	CDCD	
COc1ccc(O)c(CN[C@@H](C)Cn2cccn2)c1	37154521	DHVLGGQGTYDXJU-NSHDSACASA-N	261.325	1.776	10	20	CDCD	
COC[C@H]1CN(Cc2c(O)cccc2Cl)CCO1	271184372	MMJWSQUZEBISNN-SNVBAGLBSA-N	271.744	1.893	10	20	CDCD	
CC[S@](=O)CCN[C@@H]1CCc2cccc(O)c21	310229417	GSLJYKZUQKZJTN-DIFFPNOSSA-N	253.367	1.738	10	20	CDCD	
O=S(=O)(NCc1ccccc1O)c1ccco1	782469042	WUVWCRRAUBLHTO-UHFFFAOYSA-N	253.279	1.464	10	20	CDCD	
COc1cccc(CNC(=O)c2cc(C(C)=O)c[nH]2)c1O	69216941	DCWFDYAMXUFHOJ-UHFFFAOYSA-N	288.303	1.862	10	20	CDCD	
Cn1cc(/C=C\C(=O)N2C[C@@H](C(=O)O)c3ccccc32)cn1	316642796	VRRSZAYDLOWIJO-FMFIFOJESA-N	297.314	1.648	10	20	CDCD	
COc1ccc(N(C)CC(=O)N(C)C2CC2)c(OC)c1	132148492	QMSOFPFKJAZPGY-UHFFFAOYSA-N	278.352	1.761	10	20	CDCD	
CC(C)S(=O)(=O)CCN(C)Cc1ccccc1O	178693965	OGSGVSQOIUKXPD-UHFFFAOYSA-N	271.382	1.647	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)CNCCOC	236732088	VRIWJRSMEHGROT-UHFFFAOYSA-N	280.368	1.367	10	20	CDCD	
Cc1cccc(CN(C)[C@@H](C)CS(C)(=O)=O)c1O	180236266	SCKVMZGYKTVKFB-NSHDSACASA-N	271.382	1.566	10	20	CDCD	
C[C@@H](N[C@H](C)c1cc(F)ccc1O)C(=O)N(C)C	94617128	IUXPEGPWHQWBRY-RKDXNWHRSA-N	254.305	1.659	10	20	CDCD	
Oc1c(F)cc(Br)cc1CN1CCNCC1	258388948	AQUXLLGDTOXNHV-UHFFFAOYSA-N	289.148	1.699	10	20	CDCD	
CC[C@@H]1CN(C(=O)c2ccc(C)c(O)c2O)C[C@H]1O	273028079	SHLHDYLBYRWLSQ-MWLCHTKSSA-N	265.309	1.249	10	20	CDCD	
C[C@@H](O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1	276059874	KLEWJVJDJSUTLW-LLVKDONJSA-N	262.353	1.624	10	20	CDCD	
CC(=O)c1cc(F)cc(CN[C@@H](C)c2nncn2C)c1O	275255723	ZDTCFJGOTRBLRK-QMMMGPOBSA-N	292.314	1.713	10	20	CDCD	
COC(=O)CCN(C(=O)c1ccc(C)c(O)c1O)C(C)C	271284294	OQFNJZRDTLRCSV-UHFFFAOYSA-N	295.335	1.820	10	20	CDCD	
COc1cccc(CN2CCNC(=O)C[C@H]2C)c1O	377825583	CXPJZMQEOBZBJP-SNVBAGLBSA-N	264.325	1.111	10	20	CDCD	
COc1cccc(CNCCN2CCCOCC2)c1O	289565804	ZDNZMTLXHOFBNF-UHFFFAOYSA-N	280.368	1.213	10	20	CDCD	
CNC(=O)NC1CN(Cc2cc(Cl)cc(C)c2O)C1	297428650	OEZKRVPXQBQISG-UHFFFAOYSA-N	283.759	1.467	10	20	CDCD	
CC(=O)C(=O)Cn1cnc2c(Cl)cccc2c1=O	808036148	LBGVDTFMLOAEMH-UHFFFAOYSA-N	264.668	1.208	10	20	CDCD	
CCN(CC)c1ccc(CN2CC(O)(COC)C2)cc1F	297429567	FIDUCQOKKKTVOK-UHFFFAOYSA-N	296.386	1.865	10	20	CDCD	
NC(=O)c1cc(=NCc2c(O)ccc3c2CCCC3)cc[nH]1	811808668	NQFPOYZADUDUHF-UHFFFAOYSA-N	297.358	1.799	10	20	CDCD	
COc1ccc(N2CCC(N[C@H](C)C3CNC3)CC2)cc1	817902930	BYAZNSUQLJGNFM-CYBMUJFWSA-N	289.423	1.862	10	20	CDCD	
C/C=C/C(=O)N(CC(=O)OCC)Cc1ccccc1O	819694348	GZMZTEZHRCGLBD-XVNBXDOJSA-N	277.320	1.860	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)NCCOCCF	824330481	FLBJLHKJLHTHKZ-UHFFFAOYSA-N	270.304	1.520	10	20	CDCD	
Cc1cc(O)c(CNCc2nncn2C)cc1Cl	825102197	KVNAYYIIDBOWJE-UHFFFAOYSA-N	266.732	1.772	10	20	CDCD	
COc1cccc(CN2C[C@H](C)N(CCO)[C@H](C)C2)c1O	824926717	QUEBTRASPHAZKP-BETUJISGSA-N	294.395	1.288	10	20	CDCD	
COCCCOCCC(=O)NCCc1ccc(O)c(O)c1	830530932	AWNLFAUWSJPXNY-UHFFFAOYSA-N	297.351	1.200	10	20	CDCD	
CCOCc1cc(CN[C@@H](COC)C(=O)O)ccc1OC	901476338	AXEWDTAYPFKLCJ-ZDUSSCGKSA-N	297.351	1.421	10	20	CDCD	
CN(CCO[C@H]1CCOC1)c1ccc(OCC(=O)O)cc1	903904300	JAUHQFPEBUJSEM-AWEZNQCLSA-N	295.335	1.392	10	20	CDCD	
COc1ccc(O)c(CNC2(CC(=O)O)CCOCC2)c1	833733155	AFTBSURDOUMDQV-UHFFFAOYSA-N	295.335	1.514	10	20	CDCD	
COC(=O)[C@H]1C[C@@H](OC)CCN1C(=O)c1cc(O)cs1	831794811	SPFWBSMAVUDSJV-VHSXEESVSA-N	299.348	1.246	10	20	CDCD	
CCOC(=O)[C@H](C)[C@H](C)NC(=O)c1cc(O)cs1	832119499	HBWMRMQAWHEJDW-SFYZADRCSA-N	271.338	1.771	10	20	CDCD	
CN(C)c1ccc([C@@H](N)CNC(=O)[C@@H]2CCCCO2)cc1	832284580	KUKSVHQXKDEVFR-GJZGRUSLSA-N	291.395	1.438	10	20	CDCD	
C[C@@H](NC(=O)N[C@H](CN)C1CC1)c1ccc(N(C)C)cc1	841881939	FIJLXGSBIIMKFV-IAQYHMDHSA-N	290.411	1.850	10	20	CDCD	
CN1CCCc2cc(CNC(=O)N3CC[C@@H](N)C3)ccc21	841758682	IZQCZPCSSJZXLI-CQSZACIVSA-N	288.395	1.312	10	20	CDCD	
CN(C)c1ccc([C@@H](N)CN[C@@H]2CCCNC2)cc1	843125556	CBDYKXYHTDXCPM-HIFRSBDPSA-N	262.401	1.094	10	20	CDCD	
CC[C@H](N)CNCc1cc(OC)c(OC)cc1O	841073042	UUKIEJTYEFDFQK-JTQLQIEISA-N	254.330	1.236	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N[C@@H]2CCC[C@H](N)C2)cc1	841656062	VFJPYSKWQXGZPG-UONOGXRCSA-N	290.411	1.822	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N(C)C2CCNCC2)cc1	841656229	XMEUAWSNMOVTMI-UHFFFAOYSA-N	290.411	1.646	10	20	CDCD	
CN(C)c1ccc(CN(c2nc(N)nc(N)n2)C2CC2)cc1	858359587	XSCIIOKBNLAISH-UHFFFAOYSA-N	299.382	1.271	10	20	CDCD	
C[C@@H](NCCO[C@@H]1CCOC1)c1cc([N+](=O)[O-])ccc1O	927081598	SPYHFZBMNUSPBD-ZYHUDNBSSA-N	296.323	1.757	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)NCc2ncccn2)c1	850553422	YQKLOQXPTGERTF-JTQLQIEISA-N	287.319	1.820	10	20	CDCD	
CCN(C)c1ccc(CN2CC(S(=O)(=O)CC)C2)cc1	852140565	XQJLXVJKUXTOPF-UHFFFAOYSA-N	296.436	1.762	10	20	CDCD	
CCc1cccc(CN2CCC(C(=O)NC)CC2)c1O	692091892	HZWYIJIHAUIOGX-UHFFFAOYSA-N	276.380	1.913	10	20	CDCD	
Cc1nocc1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	867302515	QIEJVNQSMVWXBL-MRVPVSSYSA-N	276.292	1.755	10	20	CDCD	
CN(C)c1ccc(CN[C@H]2C[C@@H](CO)C2)cc1F	865663024	PMHHPWPYVZNRBI-TXEJJXNPSA-N	252.333	1.752	10	20	CDCD	
COc1ccc2c(c1)CCCCN2CC1(CO)COC1	766269663	MXYPWBFLZUALMX-UHFFFAOYSA-N	277.364	1.847	10	20	CDCD	
CC1=NO[C@@H](CNC(=O)NCc2ccccc2O)C1	875968605	WZDPGSIANSXBAP-LLVKDONJSA-N	263.297	1.356	10	20	CDCD	
CN(C)c1cc(F)c(CNC[C@H]2C[C@H](O)C2)cc1F	873177849	ITPKQUKYTIBBQN-HOMQSWHASA-N	270.323	1.891	10	20	CDCD	
C[C@@H](NC(=O)NC[C@@H](O)C1CC1)c1ccc(N(C)C)cc1	776238029	HNWTUCGQECTQNM-IAQYHMDHSA-N	291.395	1.884	10	20	CDCD	
CCN(CC)c1ccc(CN(C)[C@@H]2CCNC2=O)cc1F	770381078	NVBKHLMJTOINLX-OAHLLOKOSA-N	293.386	1.992	10	20	CDCD	
CN(CC(=O)NC1CC1)Cc1cc(Cl)cc(F)c1O	775644325	HFCZTEQUPZYFIO-UHFFFAOYSA-N	286.734	1.895	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N1CCOc2ccncc21	779530632	UCXSMKFBBKVHOK-RQOWECAXSA-N	298.298	1.932	10	20	CDCD	
Cc1cccc(O)c1CN1CC[C@@H](N2CCCC2=O)C1	877472182	MEFBDOHVRTWSGF-CYBMUJFWSA-N	274.364	1.897	10	20	CDCD	
Cc1cc(O)c(CN2CC(=O)N(C)C[C@H]2C)cc1C	783730212	SIZXJRQIPBPQNW-GFCCVEGCSA-N	262.353	1.672	10	20	CDCD	
CCOc1cccc(CN2CCCNC(=O)[C@H]2CC)c1O	898541423	JZYKDDAIFWWLBA-CYBMUJFWSA-N	292.379	1.891	10	20	CDCD	
C[C@H]1CCN(Cc2cc(F)cc(F)c2O)[C@@H]1CO	894535242	XSCGLRUSTLZYDO-QPUJVOFHSA-N	257.280	1.873	10	20	CDCD	
COc1ccc(N2CCN(CCCO)CC2)c(OC)c1	74415327	ONZBTNPYHOZXSB-UHFFFAOYSA-N	280.368	1.208	10	20	CDCD	
COc1ccc(O)c(CN[C@H](C)[C@@H](CO)SC)c1	224856876	LPSUYZHFQSZJCF-NOZJJQNGSA-N	271.382	1.603	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@H]2CCCCCN2)cc1	81018011	LDHQIZCBBCJIKP-HNNXBMFYSA-N	275.396	1.901	10	20	CDCD	
CS(=O)(=O)CCCCNCc1cc(Cl)ccc1O	710327869	JUEINXCQRCMXFI-UHFFFAOYSA-N	291.800	1.960	10	20	CDCD	
C[C@H](NC[C@@H]1CCS(=O)(=O)C1)c1ccc(F)cc1O	62747892	IRORQYXCKDAXTK-UWVGGRQHSA-N	287.356	1.617	10	20	CDCD	
COc1cccc(O)c1CNCC1(CO)CCC1	784675687	UUFRCZSWTLEGIV-UHFFFAOYSA-N	251.326	1.653	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@H](N)Cc1ccccn1	1339973887	HILMNLFYFXXCGJ-CQSZACIVSA-N	285.347	1.316	10	20	CDCD	
COc1ccc(CNC(=O)[C@@H]2CCN[C@H](C)C2)c(O)c1	1343661823	ZGCCQBYSBQQDRL-GHMZBOCLSA-N	278.352	1.405	10	20	CDCD	
CCOCCCn1nnnc1N(C)Cc1ccccc1O	1351020658	IWLLKMNJLXBCGI-UHFFFAOYSA-N	291.355	1.442	10	20	CDCD	
Cc1oc(C(=O)O)cc1COc1coc(CO)cc1=O	1600831585	FDQFALODTVVRMT-UHFFFAOYSA-N	280.232	1.311	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)C1(NC)CCC1	1577939702	PEAYXCBNKOQIIW-UHFFFAOYSA-N	283.368	1.636	10	20	CDCD	
C[C@H](CN)N(C)C(=O)c1ccc(N=NC(N)=O)cc1	1576006124	QUPHMDPSMQKWRK-MRVPVSSYSA-N	263.301	1.268	10	20	CDCD	
O=C(NCc1cccc(O)c1O)[C@@H]1CNCCC12CCC2	1580718100	BAPFLXUFPOWOHI-LBPRGKRZSA-N	290.363	1.494	10	20	CDCD	
COc1cc(C)cc(CNC2(CC(=O)O)CC2)c1O	1599391932	HCYJEKHVQHZIII-UHFFFAOYSA-N	265.309	1.806	10	20	CDCD	
CCN1CCCc2cc(CN[C@@H](CCO)C(=O)O)ccc21	1776875564	FVENNAZOVPPMPY-AWEZNQCLSA-N	292.379	1.384	10	20	CDCD	
C[C@H](O)CCNC(=O)NCc1ccc(N2CC=CC2)cc1	155683578	NORCYAVXFWQZPV-ZDUSSCGKSA-N	289.379	1.633	10	20	CDCD	
COc1cc(CN2CCC(C(N)=O)CC2)c(O)cc1C	159469880	FQVDUPCAKVVKHA-UHFFFAOYSA-N	278.352	1.407	10	20	CDCD	
CCOc1cccc(CNCCOCCF)c1O	702653516	FSVKQSKWTZSANO-UHFFFAOYSA-N	257.305	1.867	10	20	CDCD	
COc1ccc(O)c(CN2CCOC[C@@H](C)C2)c1	378441540	HNTMHZMSROUPKV-NSHDSACASA-N	251.326	1.869	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)CN2CCCC2=O)c1	170900965	NXMBFZQTNPSZCR-SNVBAGLBSA-N	292.335	1.200	10	20	CDCD	
COC(=O)[C@H]1CCCCN1Cc1cc(OC)ccc1O	179631657	TXJAOJCRUROONJ-CYBMUJFWSA-N	279.336	1.928	10	20	CDCD	
CC[C@H](CCO)CNC(=O)/C=C/c1ccc(O)c(O)c1	181182486	BVKCEOHCNDYRJN-DUMNWFOQSA-N	279.336	1.636	10	20	CDCD	
CN(Cc1ccc(N2CCOCC2)cc1)CC1OCCO1	181972838	QEHMRGZLGNZYPU-UHFFFAOYSA-N	292.379	1.328	10	20	CDCD	
Cc1nc(C(=O)NCc2ccc3c(c2)CCCN3C)no1	123179467	ZXMPWLRMHAKMGS-UHFFFAOYSA-N	286.335	1.690	10	20	CDCD	
COc1cccc(CN2CCC[C@H]([C@@H](C)O)C2)c1O	136823012	CLSYDXPEKMBVTP-NEPJUHHUSA-N	265.353	1.994	10	20	CDCD	
Cc1cccc(CN2CCC[C@@]23CCOC3=O)c1O	190030002	ALSKXDXCRURADY-HNNXBMFYSA-N	261.321	1.982	10	20	CDCD	
CCN(Cc1cccc(OC)c1O)[C@H]1CCS(=O)(=O)C1	179598588	OOMDRDSJLLGFJN-LBPRGKRZSA-N	299.392	1.410	10	20	CDCD	
C[C@@H](CC[S@](C)=O)NCc1cc(F)ccc1O	226615466	JLXAOZBMJIHEPA-XYZCENFISA-N	259.346	1.778	10	20	CDCD	
CCc1cccc(CN2CCCS(=O)(=O)CC2)c1O	692086865	QDMCIJPJLJTLGL-UHFFFAOYSA-N	283.393	1.575	10	20	CDCD	
CCCNC(=O)CCCC(=O)NCc1ccccc1O	264205942	GSKXMFGSFGEKQM-UHFFFAOYSA-N	278.352	1.705	10	20	CDCD	
CC[C@@H](C(=O)N(C)Cc1ccccc1O)N1CCCC1=O	266166310	QYOVCCNBXVKHEG-ZDUSSCGKSA-N	290.363	1.752	10	20	CDCD	
CON(C)C(=O)NCc1ccc(N2CCOCC2)cc1	277090849	DGFGAAJDMKYFDP-UHFFFAOYSA-N	279.340	1.226	10	20	CDCD	
C[C@H](NCCC(=O)N(C)C)c1cc([N+](=O)[O-])ccc1O	273607312	UOIGZFUCHJOKHI-VIFPVBQESA-N	281.312	1.429	10	20	CDCD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)N(C)CC(N)=O)c1	299499338	AXZXXXIEGXPCGZ-UHFFFAOYSA-N	299.374	1.960	10	20	CDCD	
OC[C@@]1(F)CCN(Cc2ccc(N3CCOCC3)cc2)C1	802660997	CPWLCLQHNCBFMQ-MRXNPFEDSA-N	294.370	1.430	10	20	CDCD	
CN(C)c1ccc([C@H](N)CN[C@H]2CCC[C@H]2N)cc1	817941515	RAZAWKXYSMQBGV-KFWWJZLASA-N	262.401	1.222	10	20	CDCD	
O=C(N[C@@H]1CCN2CCCC[C@H]12)c1cc(O)cs1	822156402	QIZLPUUDGSRJSN-GHMZBOCLSA-N	266.366	1.810	10	20	CDCD	
C[C@H](O)C1(NCc2ccc(N3CCN(C)CC3)cc2)CC1	827585179	BSVJXBJUXRIRLE-AWEZNQCLSA-N	289.423	1.441	10	20	CDCD	
CCN1C[C@H](N[C@@H](C)c2cc([N+](=O)[O-])ccc2O)CC1=O	834891877	SZDXGNVMYKCHKU-VHSXEESVSA-N	293.323	1.572	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)CCNC(=O)O	738231983	WSUCXPOFJNIOST-UHFFFAOYSA-N	279.340	1.335	10	20	CDCD	
NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cc(O)cs1	732277273	JJUVJVMLBPOSOS-LLVKDONJSA-N	290.344	1.280	10	20	CDCD	
Cc1ccc(C(=O)NC[C@@H](O)C2CCC2)c(O)c1O	837113471	CHZMRNBGEFOVIK-LLVKDONJSA-N	265.309	1.297	10	20	CDCD	
Cn1ncc2c1CCCN(C(=O)c1cc(O)cs1)C2	839802863	FTKZJLOGSQXXCP-UHFFFAOYSA-N	277.349	1.776	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1ncccn1	743416317	QLNOZBFRIXINJN-UHFFFAOYSA-N	270.336	1.781	10	20	CDCD	
COC1CN(Cc2cc(Br)ccc2O)C1	839129242	YGEYNQSPSCQNOT-UHFFFAOYSA-N	272.142	1.985	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)[C@H]1CCn2cncc2C1	910949291	HRHZZGDAQJWUNK-JTQLQIEISA-N	287.319	1.173	10	20	CDCD	
CCN1C(=O)C(C)(C)N[C@H]1c1cc(C(=O)OC)ccc1O	840832262	AMBNWYXWGBYGRI-GFCCVEGCSA-N	292.335	1.408	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNCC1(O)CCN(C)CC1	840933953	LWUKTBYJIXWBKR-UHFFFAOYSA-N	291.439	1.607	10	20	CDCD	
COc1ccc(N(C)CCN(C)Cc2noc(C)n2)cc1	844400246	YERCXYQSFCQVER-UHFFFAOYSA-N	290.367	1.955	10	20	CDCD	
Nc1ccc(Cc2noc(CN3CSCC3=O)n2)cc1	843160482	YQBBOBHRSMPMCQ-UHFFFAOYSA-N	290.348	1.276	10	20	CDCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCCO	840489818	UYXRMQQNFFUESA-LBPRGKRZSA-N	279.384	1.284	10	20	CDCD	
COc1cccc([C@@H](C)N[C@@H]2CCC[C@H]2O)c1O	846170308	WRAMTCBTUZZEDJ-YUSALJHKSA-N	251.326	1.965	10	20	CDCD	
c1cc(N2CCOCC2)ccc1CN[C@H]1CCCNCC1	841057378	JUNYHAVEHHEIAE-INIZCTEOSA-N	289.423	1.755	10	20	CDCD	
CO[C@@H]1CCC[C@H]1C(=O)NCCc1ccc(N)cc1	911782688	KBBLQIQYTUUDNZ-ZIAGYGMSSA-N	262.353	1.743	10	20	CDCD	
Oc1cc2c(cc1CN1C[C@@H]3[C@H](C1)C3(F)F)[C@@H](O)CO2	844758564	TXADFAZTCOLBQR-UMNHJUIQSA-N	283.274	1.515	10	20	CDCD	
CCOC(=O)[C@H]1CCN(C(=O)Nc2ccc(N)cc2)C1	926140513	AYTYTRNHFUNAJQ-JTQLQIEISA-N	277.324	1.686	10	20	CDCD	
COc1cccc([C@H](C)N[C@@H](C)CN2CCOCC2)c1O	846140147	HKHAOUSXGREETN-STQMWFEESA-N	294.395	1.772	10	20	CDCD	
C[C@@H](NC(=O)NC[C@H]1CCN1C)c1ccccc1O	925430918	ZTRGZWZPZNVVJX-GHMZBOCLSA-N	263.341	1.457	10	20	CDCD	
CO[C@@H]1COC[C@H]1NCc1cc(F)c(N(C)C)cc1F	858182017	DLPPBTBVNBIFMV-TZMCWYRMSA-N	286.322	1.534	10	20	CDCD	
C[C@@H](CN1C(=O)CN(Cc2ccccc2O)C1=O)N(C)C	925320600	MKKNLTHNWYALKI-NSHDSACASA-N	291.351	1.107	10	20	CDCD	
Oc1ccccc1CNCC1(O)CCC2(CC1)OCCO2	922623163	HQSHUCKCQFXNTB-UHFFFAOYSA-N	293.363	1.530	10	20	CDCD	
COC[C@@H](C)CC(=O)NCc1cccc(OC)c1O	755774790	LZXYQDXNFYTLHX-JTQLQIEISA-N	267.325	1.690	10	20	CDCD	
COCCN(CCC(=O)OC)Cc1ccc(C)cc1O	876736098	GEUAWHBZGTWZNG-UHFFFAOYSA-N	281.352	1.712	10	20	CDCD	
CC(C)OC(=O)CCCNC(=O)c1cc(O)cs1	765866877	VLUJAMWPSMDFFI-UHFFFAOYSA-N	271.338	1.915	10	20	CDCD	
COCC(COC)NC(=O)N[C@H](C)c1ccccc1O	868675946	LGNBUEMVFJZOLP-SNVBAGLBSA-N	282.340	1.414	10	20	CDCD	
C[C@@H](NC[C@@H]1COCCN1)c1ccc(N(C)C)cc1	863545274	NBLKOSULXSDCJB-TZMCWYRMSA-N	263.385	1.392	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2cnc3[nH]cnc3c2)cc1	763262777	IZLSBQCAIAMZPV-UHFFFAOYSA-N	295.346	1.954	10	20	CDCD	
CN1CCCc2cc(CN[C@H]3CCCNC(=O)C3)ccc21	876986347	BOVACTDGIKRLRA-HNNXBMFYSA-N	287.407	1.827	10	20	CDCD	
CN(C(=O)c1ccnc(N2CCCC2)n1)c1ccc(N)cc1	877077690	QZTWQODNMOXPDH-UHFFFAOYSA-N	297.362	1.936	10	20	CDCD	
COC(=O)[C@H]1C[C@H](NC(=O)N[C@H](C)c2ccccc2O)C1	875755147	FQUHFMSPPSPUNQ-GMTAPVOTSA-N	292.335	1.704	10	20	CDCD	
CC(=O)N[C@H](C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	773011249	DXIJJUSQWKUBMI-WDEREUQCSA-N	277.368	1.454	10	20	CDCD	
CCN(CC)C(=O)COC(=O)c1cccc(O)c1O	776278725	FWQKLLHHDYCYHH-UHFFFAOYSA-N	267.281	1.123	10	20	CDCD	
CCOc1ccc(O)c(CN2C[C@@H](CO)OC[C@H]2C)c1	770353017	RDNVNJKUQYRCTI-RISCZKNCSA-N	281.352	1.373	10	20	CDCD	
C[C@H]1C[C@@H]1C(=O)NCc1ccc(N2CCN(C)CC2)cc1	881849728	VEXMUDIWKGQPST-BBRMVZONSA-N	287.407	1.711	10	20	CDCD	
CN(Cc1ccccc1O)c1nnc(C2(O)CCC2)n1C	1121549584	SJIGELZJYPMMPY-UHFFFAOYSA-N	288.351	1.529	10	20	CDCD	
CCCCN1CC(=O)N[C@@H]1c1cc(C)cc(OC)c1O	887326896	QSMZLEHOWQRFCG-HNNXBMFYSA-N	278.352	1.940	10	20	CDCD	
CCc1cncc(C(=O)NCc2ccc(O)c(O)c2)c1	789996427	RIJOLGOWZVPRRC-UHFFFAOYSA-N	272.304	1.985	10	20	CDCD	
C[C@](O)(CC(=O)OCC(=O)c1ccc(O)c(O)c1)C1CC1	784364589	GQZQVNHSELYWER-HNNXBMFYSA-N	294.303	1.375	10	20	CDCD	
CCOc1cccc(CN[C@H](CO)C[C@H]2CCCO2)c1O	886229678	UMORFLDFYAQKFW-UONOGXRCSA-N	295.379	1.811	10	20	CDCD	
Cc1ccc(CNCCCN2CCCN(C)CC2)c(O)c1	894376245	REHJCOOWSMEBAY-UHFFFAOYSA-N	291.439	1.818	10	20	CDCD	
CCCOc1ccc(CN[C@@](C)(CO)C(=O)OC)cc1C	894971971	JVCRXUSPASVGHK-INIZCTEOSA-N	295.379	1.797	10	20	CDCD	
C[C@@H](CCO)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	898448824	YCVCJNLAZFAXGC-BBRMVZONSA-N	279.428	1.716	10	20	CDCD	
O=C(NCC[C@@H](O)c1ccccc1)c1cccc(O)c1O	790805892	SCJIJGZAUSPNTK-CYBMUJFWSA-N	287.315	1.951	10	20	CDCD	
C[C@@H](NCCN1CCC(CO)CC1)c1ccccc1O	1320137182	LMTOSMVLHCIQRZ-CYBMUJFWSA-N	278.396	1.747	10	20	CDCD	
CC(C)C[C@@H](CO)NCc1cc2c(cc1O)OCO2	42880390	QBOROEOTEKLUMR-NSHDSACASA-N	267.325	1.618	10	20	CDCD	
[N-]=[N+]=NCC(=O)N1CCC(O)(C(F)(F)F)CC1	409428170	GARPJBAIVQYZRF-UHFFFAOYSA-N	252.196	1.213	10	20	CDCD	
CN(CCCS(=O)(=O)N(C)C)Cc1ccccc1O	109769786	OZHMBBMGPUUYLT-UHFFFAOYSA-N	286.397	1.106	10	20	CDCD	
COc1ccc(O)c(CN2CCC(CCN)CC2)c1	70183635	GQVNVFQHBLAPSQ-UHFFFAOYSA-N	264.369	1.962	10	20	CDCD	
CC(=O)N1CCC(NCc2cc(C)ccc2O)CC1	71407886	ISSGVSLPHQQULQ-UHFFFAOYSA-N	262.353	1.801	10	20	CDCD	
C[C@H](Cc1cnn(C)c1)NC(=O)NCc1ccc(N)cc1	1338625020	OLVOHKZJJYFPOE-LLVKDONJSA-N	287.367	1.433	10	20	CDCD	
COc1cc(C)cc(CNCC(=O)NC2CCCC2)c1O	1338236494	YIPMKJXGZWNBBT-UHFFFAOYSA-N	292.379	1.858	10	20	CDCD	
Nc1ccc(CN[C@@H](CO)[C@@H]2CCCOC2)cc1	1356083335	NLRFTEKLSCQBAO-OCCSQVGLSA-N	250.342	1.146	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)NCCCON	1357687673	NNPUSDJQEMLMBF-UHFFFAOYSA-N	281.356	1.594	10	20	CDCD	
CC(C)SCC(=O)NCc1cccc(O)c1O	1521851290	JNZFGTFREMGBAG-UHFFFAOYSA-N	255.339	1.856	10	20	CDCD	
C[C@@H](NC[C@@H]1CCC2(CNC2)O1)c1ccccc1O	1579414456	DLIXVVGQQAAYSF-NEPJUHHUSA-N	262.353	1.564	10	20	CDCD	
CC1(C)CNCC[C@@H]1NC(=O)NCc1c(O)cccc1F	1576481349	XXFNUDISEASIIX-ZDUSSCGKSA-N	295.358	1.719	10	20	CDCD	
COc1cc(O)c(CN2CCn3cnnc3C2)cc1OC	160180138	NJLPKPCPVBZKHA-UHFFFAOYSA-N	290.323	1.017	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CCCO2)c1	152374125	WDWFPWAMKIXOCS-RNCFNFMXSA-N	265.309	1.757	10	20	CDCD	
CN(C)c1ccc(CN2CC3CC2(C(=O)O)C3)cc1	849344511	NUMXETDVKVRGIB-UHFFFAOYSA-N	260.337	1.802	10	20	CDCD	
C[C@H](O)[C@H]1CCCN1C(=O)c1cccc(O)c1O	855870175	WNWHNXONEXENFI-WCBMZHEXSA-N	251.282	1.083	10	20	CDCD	
C[C@H](C[S@@](C)=O)N(C)Cc1cc2c(cc1O)OCO2	131016845	TVAOGNJOCVOOGP-HOGDKLEQSA-N	285.365	1.320	10	20	CDCD	
CCOc1cccc(CN2CCN(C(C)=O)CC2)c1O	131786239	ZENBTCBBYWQWGP-UHFFFAOYSA-N	278.352	1.455	10	20	CDCD	
Cc1cccc(CNC[C@]2(O)CCSC2)c1O	271794147	HNWOEOVGBLROMY-CYBMUJFWSA-N	253.367	1.658	10	20	CDCD	
N[C@H]1CC=C(C(=O)N2CCCOc3ccccc32)C1	695660211	VWXUGPKOIJOUSS-LBPRGKRZSA-N	258.321	1.850	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CC[C@H](CN)C2)c1O	50250416	NQGYEHXLHVPXTN-SNVBAGLBSA-N	266.316	1.515	10	20	CDCD	
Cc1ccncc1NC(=O)C(=O)N(C)Cc1ccccc1O	105533373	KOGJYCPJCJGHDU-UHFFFAOYSA-N	299.330	1.693	10	20	CDCD	
C[C@H]1CN(CC(C)(C)O)CCN1Cc1ccccc1O	188747031	ANFOQJPHSHPVCA-ZDUSSCGKSA-N	278.396	1.669	10	20	CDCD	
CSCCCNC(=O)/C=C/c1ccc(O)c(O)c1	181100695	FITOGCIWGUBZBE-GQCTYLIASA-N	267.350	1.980	10	20	CDCD	
COC[C@@H](NC(=O)c1cccc(O)c1O)C(C)C	126452553	FOPIPYXSZUVZBJ-SNVBAGLBSA-N	253.298	1.499	10	20	CDCD	
COCCOCCCCNCc1ccccc1O	134232120	FOIUHAROUPHOKV-UHFFFAOYSA-N	253.342	1.925	10	20	CDCD	
C[C@H](NCC(C)(C)C(N)=O)c1ccc(F)c(F)c1O	187827721	DRTOLGPURSYVOE-ZETCQYMHSA-N	272.295	1.833	10	20	CDCD	
Nc1ccc(CC(=O)NCCc2cn3ccccc3n2)cc1	237902026	RZLBSUICZYGMQI-UHFFFAOYSA-N	294.358	1.818	10	20	CDCD	
CCOc1ccc(N2CCN(C(=O)OC)CC2)cc1	243445918	NEOKUMTUVZFTKF-UHFFFAOYSA-N	264.325	1.974	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@@H]2C=C[C@H](CO)C2)c1	273451634	GCEHMJUGSVXKJT-GMXVVIOVSA-N	291.347	1.766	10	20	CDCD	
Cc1ccc(C(=O)N(C)CC2(O)CCOCC2)c(O)c1O	275451558	PFANAXFAVKXDHQ-UHFFFAOYSA-N	295.335	1.020	10	20	CDCD	
COc1ccc(O)c(CN2CC[C@@](O)(C3CC3)C2)c1	373274939	ONHPRCKYXDLUDC-HNNXBMFYSA-N	263.337	1.748	10	20	CDCD	
C[C@H](NC(=O)c1cccc(O)c1O)c1nnc2n1CCC2	280148771	RKLVOUBLIIRHFK-QMMMGPOBSA-N	288.307	1.127	10	20	CDCD	
COC(=O)[C@@H]1CC[C@@H]1C(=O)NCc1ccc(N(C)C)cc1	285239082	YLHLYTXUJLHGTK-UONOGXRCSA-N	290.363	1.568	10	20	CDCD	
CCOCCCCNC(=O)c1c(F)ccc(O)c1O	294771172	FZGSNQPQTPSAEA-UHFFFAOYSA-N	271.288	1.783	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)N[C@@H](CN)C2CC2)c1	817959279	FADFYZMGXJDHNC-ZANVPECISA-N	278.352	1.567	10	20	CDCD	
COC[C@H](C)[C@@H](C)C(=O)NCc1cccc(OC)c1O	812496052	XBHFPBNABZZYOJ-WDEREUQCSA-N	281.352	1.936	10	20	CDCD	
CCOc1ccc(CNC2([C@H](C)O)CC2)c(O)c1	827579520	FLKXTRPWOAYNDR-JTQLQIEISA-N	251.326	1.794	10	20	CDCD	
C[C@@H](CN)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	827725945	QPAVGMUXAKTLNZ-QWHCGFSZSA-N	291.395	1.295	10	20	CDCD	
C[C@@H](N)CC(=O)NCc1ccc(N2CCCC2)cc1	827004217	BVNMJJYRLBPXNA-GFCCVEGCSA-N	261.369	1.640	10	20	CDCD	
C[C@H](N)CC(=O)NCc1ccc(N2CCCC2)cc1	827004219	BVNMJJYRLBPXNA-LBPRGKRZSA-N	261.369	1.640	10	20	CDCD	
Cc1ccc(C(=O)OCC(=O)c2ccn(C)c2)c(O)c1O	727004393	UVIGHIPVXBKQQA-UHFFFAOYSA-N	289.287	1.784	10	20	CDCD	
CC(C)NC(=O)NCCN(C)c1ccc2c(c1)OCO2	828097751	BKVAVPJJTCXJLG-UHFFFAOYSA-N	279.340	1.559	10	20	CDCD	
O=C(O)[C@H]1CCCN(C(=O)c2cc(O)cs2)C1	738538890	XWLRFSNKKFHOIJ-ZETCQYMHSA-N	255.295	1.391	10	20	CDCD	
CCN(C)c1ccc(CN2CCCN(C=O)CC2)cc1	839021715	MEPHRHXIEJETJI-UHFFFAOYSA-N	275.396	1.807	10	20	CDCD	
OC[C@H](N[C@H]1CCc2cccc(O)c21)C1CCOCC1	834761956	WJLOSYVPVVFREP-KBPBESRZSA-N	277.364	1.757	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@@H](CF)C1	916113359	LMNPZXVFOAFZHK-FWEMWIAWSA-N	265.284	1.929	10	20	CDCD	
CN1C[C@@H](NC(=O)NCc2cc(Cl)ccc2O)CC1=O	845023975	AKXQZMNWDUROAU-JTQLQIEISA-N	297.742	1.076	10	20	CDCD	
COc1ccc(O)c(CNCc2nnn(C(C)(C)C)n2)c1	848924017	UUOFIZYFYHQCNW-UHFFFAOYSA-N	291.355	1.432	10	20	CDCD	
CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(N)cc2)C[C@H](C)O1	841034809	FNHGFHQKPOZGBH-GXFFZTMASA-N	291.351	1.233	10	20	CDCD	
Oc1ccc(F)cc1CNCC[C@]1(O)CCCOC1	846110627	YPWRGACRPJOBCQ-CQSZACIVSA-N	269.316	1.553	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)N(C)CCN)cc1	841717598	LLGXFZWKRIVACO-UHFFFAOYSA-N	278.400	1.633	10	20	CDCD	
CCn1[nH]c(C)nc1=NCc1cc(C)c(C)cc1O	840887496	KKHBXRQVFDIUCQ-UHFFFAOYSA-N	260.341	1.963	10	20	CDCD	
CCn1nccc1NC(=O)NCCc1ccc(N)cc1	841176152	PEIGBGRPAOGDCY-UHFFFAOYSA-N	273.340	1.849	10	20	CDCD	
C[C@@H](N)CNC(=O)NCc1cc(Cl)cc(Cl)c1O	841986285	JAKZBFUJXMMTCQ-ZCFIWIBFSA-N	292.166	1.845	10	20	CDCD	
Cc1ccc(C(=O)N2CC[C@@H](C3OCCO3)C2)c(O)c1O	927994882	HVGRSHVPPJZLDF-SNVBAGLBSA-N	293.319	1.241	10	20	CDCD	
CC1(C)NCC[C@@H]1NCc1cc2c(cc1O)OCO2	841085376	AUGISJTYBGFJFM-ZDUSSCGKSA-N	264.325	1.351	10	20	CDCD	
CCS(=O)(=O)CCCNC(=O)c1cc(O)cs1	854944997	GFJCCBWWCIDNSC-UHFFFAOYSA-N	277.367	1.008	10	20	CDCD	
C[C@H](CO[C@H]1CCOC1)NC(=O)c1cc(O)cs1	754046073	OLJPBQYPBDCGGS-SCZZXKLOSA-N	271.338	1.378	10	20	CDCD	
COc1ccc(O)c([C@H](C)NCCNc2cnccn2)c1	756647331	SLZZHQTYMHINTK-NSHDSACASA-N	288.351	1.954	10	20	CDCD	
CC(C)CS(=O)(=O)NCc1ccc(O)cc1O	867417481	WUBBTOYJVRTYCY-UHFFFAOYSA-N	259.327	1.173	10	20	CDCD	
C[C@@H]1CN(Cc2cc3c(cc2O)OC[C@@H]3O)[C@H](C)CO1	768441759	MHPBIVSSHMAISA-RULNRJAQSA-N	279.336	1.427	10	20	CDCD	
O=C(COC(F)(F)F)NCCc1ccc(O)c(O)c1	934938800	KFMPQZOTEHIZPW-UHFFFAOYSA-N	279.214	1.293	10	20	CDCD	
COCCOCCCNC(=O)N[C@H](C)c1ccccc1O	875230598	HVYCPHYEGZPMQU-GFCCVEGCSA-N	296.367	1.806	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2CC[C@H](O)[C@H](C)C2)c1O	775091181	WIPRUSNZBGFJAW-SKDRFNHKSA-N	296.323	1.512	10	20	CDCD	
Cc1csc(=O)n1CCOC(=O)c1cccc(O)c1O	776280367	PVYKLDKACPHXBB-UHFFFAOYSA-N	295.316	1.486	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)CCNCC2CC2)c1	870881767	KZHVMNIZNPDCKO-NSHDSACASA-N	292.379	1.968	10	20	CDCD	
CCN(CC)c1ccc(CN[C@H]2C[C@H](O)[C@H](O)C2)cc1F	886242779	CZRBJDQMVLRCDC-DVSIDAKKSA-N	296.386	1.646	10	20	CDCD	
C[C@H](CC(N)=O)NCc1cc(Cl)cc(F)c1O	776251223	RIJCVBNURBYDME-ZCFIWIBFSA-N	260.696	1.538	10	20	CDCD	
Cn1ncc(CCCNCc2cc(F)cc(F)c2O)n1	883130559	JKWCJHXRYQEBHW-UHFFFAOYSA-N	282.294	1.521	10	20	CDCD	
COc1ccc(CNCCNC(=O)c2cnco2)cc1C	1132040685	FCSXXLAPYYOTLK-UHFFFAOYSA-N	289.335	1.511	10	20	CDCD	
C[C@@H]1COCCN1Cc1cn(-c2ccc(N)cc2)nn1	899682513	MUQGRBWXFVTWET-LLVKDONJSA-N	273.340	1.070	10	20	CDCD	
CC[C@@H](C)NC(=O)COC(=O)c1cccc(O)c1O	790073239	HAGXHXAUZJXNND-MRVPVSSYSA-N	267.281	1.169	10	20	CDCD	
O=C(NCCCNc1ncccn1)c1cccc(O)c1O	790543636	QWHBGBDIXFZQFG-UHFFFAOYSA-N	288.307	1.120	10	20	CDCD	
CC(=O)NC[C@@H]1CCCN(C(=O)c2cccc(O)c2O)C1	790589970	LUTOUKCVRYWOMG-NSHDSACASA-N	292.335	1.086	10	20	CDCD	
Nc1ccc(CNC(=O)N[C@H]2CCn3ccnc3C2)cc1	1336880623	WTLXVKRUIBHAFC-ZDUSSCGKSA-N	285.351	1.280	10	20	CDCD	
O=C(O)CCCNC(=O)NCc1cccc(Cl)c1O	1353015024	BLZAJTGDBNNBGB-UHFFFAOYSA-N	286.715	1.710	10	20	CDCD	
O=C(O)[C@H]1CC[C@@H](NCc2ccc3c(c2)CCO3)C1	1601795044	ZXMJRWXMOYHESM-QWHCGFSZSA-N	261.321	1.964	10	20	CDCD	
C[C@H](N[C@@H](C)c1ncnn1C)c1cc(C(=O)O)ccc1O	1604323247	XHNFRHLSHISDJP-IUCAKERBSA-N	290.323	1.631	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@@H](C)CC(=O)O)c1	1607811526	YCXMTAPNDCOCOH-VIFPVBQESA-N	251.282	1.428	10	20	CDCD	
C[C@@H](NC(=O)COCC(=O)O)c1ccc(N(C)C)cc1	1589095834	LQUXOXGSVHDOHU-SNVBAGLBSA-N	280.324	1.031	10	20	CDCD	
C[C@@H](CNCc1ccc(N(C)C)cc1)[C@@H](F)C(=O)O	1776425463	WWGLFDSCTZQTKA-GXFFZTMASA-N	268.332	1.901	10	20	CDCD	
CC(C)(C)NCCC(=O)NCCc1ccc(O)c(O)c1	934938635	HRQUAAOSLLLBSV-UHFFFAOYSA-N	280.368	1.535	10	20	CDCD	
CCNS(=O)(=O)CCN[C@H](C)c1ccc(C)cc1O	230666924	DUBJBPZGNRHFIT-LLVKDONJSA-N	286.397	1.291	10	20	CDCD	
CC[C@H](O)CCNCc1ccc(N2CCOCC2)cc1	124385900	CVMRBSIMGFKQKK-INIZCTEOSA-N	278.396	1.774	10	20	CDCD	
Cc1c([C@H](C)NC(=O)Cc2ccc(N)cc2)cnn1C	37001394	RNDNCDJZAIPCGT-JTQLQIEISA-N	272.352	1.731	10	20	CDCD	
C[C@@H](CN1CCOCC1)N[C@H](C)c1ccc(F)cc1O	62746014	OBIWBUDPMZVKNF-NWDGAFQWSA-N	282.359	1.903	10	20	CDCD	
Cc1ccc(O)c(CN[C@@H]2CCS(=O)(=O)[C@@H]2C)c1	380911599	WBRBZCGQPAAMJE-ZYHUDNBSSA-N	269.366	1.366	10	20	CDCD	
COCC(COC)NCc1cccc(OC)c1O	388411442	YCJDFDTUBFPMCU-UHFFFAOYSA-N	255.314	1.152	10	20	CDCD	
CCN1C[C@@H](NCc2cccc(OC)c2O)CC1=O	391516561	QQZMJTFVPGVWJR-NSHDSACASA-N	264.325	1.111	10	20	CDCD	
C[C@@H](NCc1cc2c(cc1O)OCO2)c1ncn(C)n1	391861879	QGNCNBRMCBPJIW-MRVPVSSYSA-N	276.296	1.100	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)c2cocn2)c1	104900876	MTPQJDGJBRSIIJ-QMMMGPOBSA-N	262.265	1.880	10	20	CDCD	
COc1ccc(N2CCC(NC[C@H](C)O)CC2)cc1	305080601	QJNQIKUIGUMBIL-LBPRGKRZSA-N	264.369	1.634	10	20	CDCD	
CC(=O)C[C@@H](C)NC(=O)c1ccc(C)c(O)c1O	182884750	XFXXMRQRBLODLK-MRVPVSSYSA-N	251.282	1.504	10	20	CDCD	
CC(C)(C)[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C(N)=O	181049336	ONHFVGWBJGJHFU-IYNGYCSASA-N	292.335	1.127	10	20	CDCD	
CCN(C(=O)c1cc(NS(C)(=O)=O)ccc1O)C1CC1	93923819	WMKBXGAJFGKUAX-UHFFFAOYSA-N	298.364	1.388	10	20	CDCD	
Nc1ccc(CCNC(=O)[C@H]2CCC[C@H](N)C2)cc1	262569852	BUHLOYVYBGMUCU-JSGCOSHPSA-N	261.369	1.445	10	20	CDCD	
COc1cccc(CN(C)[C@H]2CCS(=O)(=O)C2)c1O	132409576	VASGDNIGVMDWBR-NSHDSACASA-N	285.365	1.020	10	20	CDCD	
COC(=O)NC(C)(C)C(=O)NCc1ccccc1O	269164468	WHXMNYWEKGWBSE-UHFFFAOYSA-N	266.297	1.143	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CCn2cncc2C1	368211698	GJMLKYYLTZAKHU-DUXPYHPUSA-N	285.303	1.350	10	20	CDCD	
COC(=O)[C@H](NC(=O)c1ccc(C)c(O)c1O)C1CC1	272744339	MTAOGEDAGRCCOW-SNVBAGLBSA-N	279.292	1.088	10	20	CDCD	
CC[C@@](C)(OC)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	280827106	OSECXOOVHIKVDU-ZUZCIYMTSA-N	281.352	1.960	10	20	CDCD	
COc1cccc(CN2CC[C@@H]3NC(=O)OC[C@H]3C2)c1O	281145222	FCTUKRPYRGEELX-NEPJUHHUSA-N	292.335	1.331	10	20	CDCD	
O=C(N[C@@H](CO)CC1CCC1)c1cccc(O)c1O	280307959	SQYQJYQNPWGHBM-SNVBAGLBSA-N	265.309	1.379	10	20	CDCD	
COCCN(CCN(C)C)Cc1cc(F)ccc1O	289451631	NGHMQHOXUADSAJ-UHFFFAOYSA-N	270.348	1.541	10	20	CDCD	
C[C@H](NC(=O)[C@H]1CCC(=O)N1C)c1ccc(N(C)C)cc1	807274688	YXTSENDIBNBDBA-SMDDNHRTSA-N	289.379	1.551	10	20	CDCD	
COC(=O)[C@H]1CC[C@@H](NC(=O)c2c(F)ccc(O)c2O)C1	296200128	JHRLQEFXVLQWIP-JGVFFNPUSA-N	297.282	1.308	10	20	CDCD	
CO[C@@H](C)CS(=O)(=O)Nc1ccc(O)cc1SC	800842570	YZFUBLIUOOQLKT-QMMMGPOBSA-N	291.394	1.891	10	20	CDCD	
CCOc1ccc(CN[C@@H](C)CN(C)C)c(O)c1	808422655	AFOFJUFSWGUVRS-NSHDSACASA-N	252.358	1.831	10	20	CDCD	
CC1(C)CN(C(=O)c2cc(O)cs2)C[C@H](CO)O1	817767090	VWSKCXBAHLMHKG-SECBINFHSA-N	271.338	1.066	10	20	CDCD	
CO[C@@H]1CCCN(C(=O)c2c(F)ccc(O)c2O)CC1	828241105	HROMZMVKYLBDGZ-SECBINFHSA-N	283.299	1.878	10	20	CDCD	
COc1ncc(/C=C\C(=O)N(C)c2ccc(C)cn2)cn1	493763348	XVAWLDVCDSKWEK-ALCCZGGFSA-N	284.319	1.865	10	20	CDCD	
C[C@H](O)CN(Cc1cc2c(cc1O)OCO2)CC(F)F	825099093	ULPYCBYMMFPHHA-QMMMGPOBSA-N	289.278	1.569	10	20	CDCD	
CC[C@@H]1NCC[C@H]1C(=O)N[C@H](C)c1cc(OC)ccc1O	828666915	KAXMMYJZFFGUMP-QKCSRTOESA-N	292.379	1.966	10	20	CDCD	
COc1ccc(O)c(CNC(=O)NCC[C@@H](C)OC)c1	734069359	QBBCLGOCCMKIBM-SNVBAGLBSA-N	282.340	1.625	10	20	CDCD	
CN(C)c1ccc([C@H](N)CNC(=O)[C@H]2CCCO2)cc1	832266243	DLARDBHNPXOOLD-ZIAGYGMSSA-N	277.368	1.048	10	20	CDCD	
O=C(OCCN1CCCC1=O)c1cc(O)cs1	732353743	UFRFZUDQBROHQS-UHFFFAOYSA-N	255.295	1.233	10	20	CDCD	
Cn1ccnc1[C@H]1CNCCN1Cc1cc(F)ccc1O	843121983	MOUJEJFRXJDBGK-CYBMUJFWSA-N	290.342	1.411	10	20	CDCD	
Cc1cccc(NC(=O)C(=O)NCc2ccccc2O)c1	748484932	AELLJCRAVGIGQG-UHFFFAOYSA-N	284.315	1.956	10	20	CDCD	
CCS(=O)(=O)CCCN[C@H]1CCc2cccc(O)c21	840889637	SYXUVNDZHJBOPG-LBPRGKRZSA-N	283.393	1.794	10	20	CDCD	
Nc1nccnc1C(=O)NCc1cc(Cl)ccc1O	857547371	AYRRDDSABNDRAQ-UHFFFAOYSA-N	278.699	1.348	10	20	CDCD	
Cc1ccc(O)c([C@@H](C)NCC(=O)N2CCN(C)CC2)c1	756490218	MJUKKJRCWKYFPQ-CYBMUJFWSA-N	291.395	1.125	10	20	CDCD	
O=C(O)C1(CNCc2cc(F)ccc2O)CCC1	854244969	YWLIPCWZLBWDQS-UHFFFAOYSA-N	253.273	1.876	10	20	CDCD	
O=C(N[C@H]1CC[C@@H](CO)CC1)c1cc(O)cs1	757903984	APTCWZRPECTDQY-DTORHVGOSA-N	255.339	1.735	10	20	CDCD	
CCn1cc(C(=O)N(C)Cc2ccccc2O)nn1	934705341	WNGJSLCNGUUEEA-UHFFFAOYSA-N	260.297	1.276	10	20	CDCD	
C[C@H]1N(Cc2cc3c(cc2O)OC[C@H]3O)CCOC1(C)C	768461579	DLQWQKNNZGTNQH-QMTHXVAHSA-N	293.363	1.817	10	20	CDCD	
COCCN1CC[C@H](NCc2c(C)cccc2O)C1	877046388	MVNDQITYCDFELZ-ZDUSSCGKSA-N	264.369	1.511	10	20	CDCD	
O=C1CN(Cc2cc(-c3ccccc3)ccc2O)CCN1	768159418	DVFRDBBLHREBRQ-UHFFFAOYSA-N	282.343	1.991	10	20	CDCD	
CCCOc1ccc(CN[C@H](COC)C(=O)O)cc1C	871874367	LYZPSXAMMQIROL-CYBMUJFWSA-N	281.352	1.973	10	20	CDCD	
COc1ccc(O)c(CN2CCC[C@@H](CCO)C2)c1	775681668	QLDISUGDMRUPRI-LBPRGKRZSA-N	265.353	1.995	10	20	CDCD	
Cc1cc(CN2[C@@H](CO)CC[C@@H]2CO)ccc1N(C)C	878880865	BOEOAICABVKQQN-HUUCEWRRSA-N	278.396	1.379	10	20	CDCD	
Cc1cccc(O)c1CNCCN1CCC(N(C)C)CC1	877158362	HXYKLXGXXKUSDK-UHFFFAOYSA-N	291.439	1.816	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)NCc2nonc2C)c1	872135971	JTOXZEZYKNJNGQ-MRVPVSSYSA-N	291.307	1.721	10	20	CDCD	
Oc1c(F)cc(Cl)cc1CN1CCn2cnnc2C1	775684315	DWFWIWOADNAAQD-UHFFFAOYSA-N	282.706	1.792	10	20	CDCD	
CCNC(=O)[C@@H](NCc1cc(F)cc(F)c1O)C(C)C	883130648	NFHGGSOULGQCFT-LBPRGKRZSA-N	286.322	1.921	10	20	CDCD	
CC(=O)c1cc(F)cc(CN[C@H]2C[C@@H](N)C2(C)C)c1O	883442786	SPOYFGLADNCGIF-OLZOCXBDSA-N	280.343	1.949	10	20	CDCD	
Nc1ccc(NC(=O)C(=O)NC[C@H]2C=CCC2)cc1	883613423	BKSPFRWKQVSSKZ-JTQLQIEISA-N	259.309	1.290	10	20	CDCD	
COC[C@H](NCc1cc(C)cc(OC)c1O)[C@@H]1CCCO1	894593711	ATSRGEYXRKVFAJ-KBPBESRZSA-N	295.379	1.993	10	20	CDCD	
COc1cc(O)c(CNC[C@@H](O)C(F)(F)F)cc1OC	792191978	HGEIZDYHLVGXEQ-LLVKDONJSA-N	295.257	1.422	10	20	CDCD	
COc1ccc(CN2C[C@@H]3C[C@@]3(CO)C2)c(O)c1OC	893888651	LSKDXEBGZAGBDU-NHYWBVRUSA-N	279.336	1.224	10	20	CDCD	
C[C@@H](O)[C@H]1CCN(Cc2cc(F)cc(F)c2O)C1	894430450	FYUIBKLRNKWICK-BDAKNGLRSA-N	257.280	1.873	10	20	CDCD	
Cc1nnc(CNC(=O)c2c(F)ccc(O)c2O)s1	790075150	IAHGIEYERWALDZ-UHFFFAOYSA-N	283.284	1.327	10	20	CDCD	
CCOc1ccc(N2CCN(CCC(=O)NC)CC2)cc1	1319846394	AYHPRCMJSZSCFF-UHFFFAOYSA-N	291.395	1.343	10	20	CDCD	
CCOc1ccc(N2CCN(CC[S@@](C)=O)CC2)cc1	1326780243	JXSJBWVRIVZASX-HXUWFJFHSA-N	296.436	1.586	10	20	CDCD	
Oc1c(F)cc(F)cc1CNCCn1ccnc1	708535589	NCCFNYSDUZXKCO-UHFFFAOYSA-N	253.252	1.657	10	20	CDCD	
CN(C)[C@@H]1CCCN(C(=O)Cc2ccc(N)cc2)C1	82284174	KBQNYRUEYROBBI-CQSZACIVSA-N	261.369	1.364	10	20	CDCD	
COC(=O)NC1CN(Cc2cc(C)cc(OC)c2O)C1	1331569773	RFZOTTXIOVWCRW-UHFFFAOYSA-N	280.324	1.249	10	20	CDCD	
Cn1c(O)nc(NCc2ccc(N3CC=CC3)cc2)cc1=O	1337780604	CTSLJEMAQSXUEI-UHFFFAOYSA-N	298.346	1.474	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H]1CCC[C@@H]1C(=O)O	1608288420	SFVWZBIQWPFMBW-OJTYSEKASA-N	291.303	1.481	10	20	CDCD	
CO[C@H](C)[C@@H](C)N[C@@H](C)c1cccc(-c2nn[nH]n2)c1O	1605005316	GMKMCCCSFZLUIB-KXUCPTDWSA-N	291.355	1.646	10	20	CDCD	
O=C(O)CN(Cc1cc(Cl)ccc1O)C[C@@H](O)C1CC1	1608746585	BCEOMJOLHDIZSO-CYBMUJFWSA-N	299.754	1.703	10	20	CDCD	
O=C(O)c1cnc(SCC[C@H]2CCOC2=O)s1	1602537556	VDVUSKQWZRGYEM-ZCFIWIBFSA-N	273.335	1.887	10	20	CDCD	
O=C(N[C@H]1CCC[C@H]1C(=O)O)c1c(F)ccc(O)c1O	1574588193	QUKZXXZGHYTEFN-SVRRBLITSA-N	283.255	1.220	10	20	CDCD	
Cc1cc(=NCc2c(O)cccc2O)c(-c2nn[nH]n2)c[nH]1	1592052638	RFMOHSPHOPKDMN-UHFFFAOYSA-N	298.306	1.015	10	20	CDCD	
C[C@H](NCCS(=O)(=O)C1CC1)c1ccccc1O	840878711	JWIAAKBHXSYNNO-JTQLQIEISA-N	269.366	1.620	10	20	CDCD	
COC(=O)[C@H](CC(C)C)NC(=O)c1cccc(O)c1O	126350542	WNSMPZQDXDDTLZ-JTQLQIEISA-N	281.308	1.415	10	20	CDCD	
COC[C@@H](CO)NCc1ccc(N2CCCCC2)cc1	234876513	WGZWVZVAKOLAQQ-OAHLLOKOSA-N	278.396	1.774	10	20	CDCD	
Nc1ccc(CC(=O)NC[C@H](CC2CC2)C(=O)O)cc1	405349402	NBFCXIIWYYRTKT-LBPRGKRZSA-N	276.336	1.428	10	20	CDCD	
C[C@@H](NC[C@@H]1CNC(=O)C1)c1ccc(N(C)C)cc1	398350886	ZSJNTGAJNXYMNY-VXGBXAGGSA-N	261.369	1.539	10	20	CDCD	
COCCCCC(=O)NCc1cc(OC)ccc1O	114542458	XYHRLNAOBJQAKL-UHFFFAOYSA-N	267.325	1.834	10	20	CDCD	
COc1cc(Cl)cc(CNC[C@@H](C)CO)c1O	228672155	DIDQDQFTYWSUAN-MRVPVSSYSA-N	259.733	1.772	10	20	CDCD	
C[C@H]1CN(C(=O)CN(C)Cc2ccccc2O)C[C@H](C)O1	111235100	LSVJMRXALDOGIW-STQMWFEESA-N	292.379	1.460	10	20	CDCD	
O=C(NCCCSc1nccs1)N1CCOCC1	115633146	WMHGAXFLKQJNNC-UHFFFAOYSA-N	287.410	1.667	10	20	CDCD	
O=C(CC1(O)CCCC1)NCCc1ccc(O)c(O)c1	129767068	JAWWVMGXRHPHAI-UHFFFAOYSA-N	279.336	1.452	10	20	CDCD	
COc1ccc(O)c(CNC(=O)C2CCOCC2)c1	78726284	SVMQMUFVMDTZOF-UHFFFAOYSA-N	265.309	1.444	10	20	CDCD	
COc1cccc(CNC(=O)NCCCSC)c1O	74321272	SWDNGDYUGSBDDC-UHFFFAOYSA-N	284.381	1.953	10	20	CDCD	
COC[C@H](NC(=O)c1cccc(O)c1O)C(C)C	126452730	FOPIPYXSZUVZBJ-JTQLQIEISA-N	253.298	1.499	10	20	CDCD	
CC(C)C[C@H](CO)NC(=O)/C=C/c1ccc(O)c(O)c1	181259506	HCQZMEIFMJFVIC-FVOPLDGLSA-N	279.336	1.634	10	20	CDCD	
COCCN(C)CCN[C@@H](C)c1ccc(F)c(F)c1O	187691977	JCSVZWHTTHELJN-JTQLQIEISA-N	288.338	1.899	10	20	CDCD	
Cc1cc(C(=O)N2CCOc3cc(N(C)C)ccc32)ncn1	136843902	AEUBOLQCODIPKB-UHFFFAOYSA-N	298.346	1.890	10	20	CDCD	
O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1COCCO1	41364985	AIAUWWDCXPWRTI-OAHLLOKOSA-N	290.363	1.318	10	20	CDCD	
CCOCCN(C)C(=O)NCc1ccc(N(C)C)cc1	92977083	PHOMYAWREMYCMW-UHFFFAOYSA-N	279.384	1.931	10	20	CDCD	
Nc1ccc(CC(=O)N2CC(=O)N[C@@H]3CCCC[C@@H]32)cc1	237884748	JDSGOWRMUCPZTN-KGLIPLIRSA-N	287.363	1.081	10	20	CDCD	
COCCn1c(C)c(C)c2cc(C(=O)NCCN)ccc21	514795224	ZPLBSROSKMGHOL-UHFFFAOYSA-N	289.379	1.593	10	20	CDCD	
Cn1ccnc(NCc2ccc(N3CC=CC3)cc2)c1=O	266206676	FGRGSQFFGLHIFA-UHFFFAOYSA-N	282.347	1.769	10	20	CDCD	
O=C(CCCNC(=O)C1CC1)NCc1ccc(O)c(O)c1	269102693	POZDZAMFHXRNCK-UHFFFAOYSA-N	292.335	1.020	10	20	CDCD	
C[C@H]1CN(c2ccc(CNC(=O)CN)cc2F)C[C@H](C)O1	269235414	GMCPIOHTCMTWIQ-QWRGUYRKSA-N	295.358	1.014	10	20	CDCD	
CCC(O)(CC)CNC(=O)c1c(F)ccc(O)c1O	276600587	ODHVUKFSZFNZHJ-UHFFFAOYSA-N	271.288	1.518	10	20	CDCD	
COCCCN[C@H](C)c1cc(C(=O)OC)ccc1O	273380624	HZZQHNFKRQBBPT-SNVBAGLBSA-N	267.325	1.866	10	20	CDCD	
CC[C@H](NCc1ncn(C)n1)c1ccc(F)cc1O	285948270	DUMJPOLUEQGSGA-NSHDSACASA-N	264.304	1.901	10	20	CDCD	
C[C@@H]1C[C@H](N2CCOCC2)CN1C(=O)c1cc(O)cs1	807690496	SZYCGCAMFAVLNO-MNOVXSKESA-N	296.392	1.389	10	20	CDCD	
C[C@@H](CO[C@@H]1CCOC1)NC(=O)c1c(F)ccc(O)c1O	294802113	BWUCBLRAFGHFGV-DTWKUNHWSA-N	299.298	1.161	10	20	CDCD	
CCOC(=O)[C@@H](F)C1CN(Cc2cccc(OC)c2O)C1	294050986	WZLMQJGWUKKJIW-ZDUSSCGKSA-N	297.326	1.734	10	20	CDCD	
CC(C)(C)C(=O)NCCCC(=O)NCc1ccc(N)cc1	296864300	DMMYXTOPMXVHCB-UHFFFAOYSA-N	291.395	1.828	10	20	CDCD	
Cc1cccc(CN[C@H]2CCCN(CCCO)C2)c1O	295124821	NTJALKXLKREAJP-HNNXBMFYSA-N	278.396	1.637	10	20	CDCD	
CC/C=C/CNC(=O)c1cc(NS(C)(=O)=O)ccc1O	296027042	VMCAJPINAVJCQS-SNAWJCMRSA-N	298.364	1.460	10	20	CDCD	
COc1ccc(CNS(=O)(=O)CCCCF)c(O)c1	805085115	BMMTXRRWYJVKCZ-UHFFFAOYSA-N	291.344	1.570	10	20	CDCD	
OC[C@@H]1CCCN(Cc2cc3c(cc2O)OCO3)CC1	294026777	NWPCCSLNSLSPER-LLVKDONJSA-N	279.336	1.715	10	20	CDCD	
C[C@@H](NC(=O)c1c(F)ccc(O)c1O)[C@@H]1CCOC1	295012511	PZBJPZJFYSWXCI-HTQZYQBOSA-N	269.272	1.392	10	20	CDCD	
NC(=O)c1cc(CNCc2ccc3ccccc3c2O)on1	816569074	YRRBWZVWAHBGJR-UHFFFAOYSA-N	297.314	1.922	10	20	CDCD	
COc1cccc(O)c1CN1CCCN(C=O)CC1	827877273	KVWKLYJPZBEOSY-UHFFFAOYSA-N	264.325	1.065	10	20	CDCD	
COc1ccc(O)c(CN(CC(F)F)C[C@H](C)O)c1	825098406	IGALXWPXHFBTJC-VIFPVBQESA-N	275.295	1.849	10	20	CDCD	
Cn1ccsc1=NC(=O)/C=C\c1ccc(O)c(O)c1	588404288	JCWVZUDXAOCZDZ-CGJLLMQYSA-N	276.317	1.639	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)NC[C@@H](O)C2CCC2)c1	834905083	FHAPRVBMONIRJP-ZUZCIYMTSA-N	293.363	1.990	10	20	CDCD	
CC[C@@](COC)(NCc1ccc(N(C)C)cc1)C(=O)OC	839112612	RUDVXNWRASUXIK-INIZCTEOSA-N	294.395	1.810	10	20	CDCD	
COc1ccc(CNC(=O)[C@H](C)NC2CC2)c(O)c1	832178042	LIRRFVBJLMRIJV-VIFPVBQESA-N	264.325	1.158	10	20	CDCD	
COCCNC(=O)C1(NCc2cc(Cl)ccc2O)CC1	839192547	KEANQAJEROCOTO-UHFFFAOYSA-N	298.770	1.430	10	20	CDCD	
C[C@@]1(CCC(=O)NCc2ccc(O)cc2O)CCC(=O)N1	910950281	VILLWYIBVFPQGF-OAHLLOKOSA-N	292.335	1.163	10	20	CDCD	
CC[C@H](NC(=O)c1ccc(C)c(O)c1O)[C@H](O)C(C)C	840525295	MTWVDUMODHIPQG-NWDGAFQWSA-N	281.352	1.932	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCNC1	841938539	FLNBXSDUEBSNGO-ZDUSSCGKSA-N	276.384	1.256	10	20	CDCD	
Cc1cc(N(C)C)ccc1CN(C)[C@@H](C)CS(C)(=O)=O	840914536	ARBSSVIFVGEIKG-ZDUSSCGKSA-N	298.452	1.926	10	20	CDCD	
CC[C@@H](C)[C@H](N)C(=O)NC[C@H](N)c1ccc(N(C)C)cc1	841845629	BESYXLHYJCOJQO-UGFHNGPFSA-N	292.427	1.242	10	20	CDCD	
CNCCNC(=O)NCc1ccc2c(c1)CCCN2C	841758206	FZMZYLSHNNKLDG-UHFFFAOYSA-N	276.384	1.088	10	20	CDCD	
COc1ccc(O)c(CN[C@H]2CC[C@H](CN)C2)c1	841084595	LLVHSZFROYVUAO-JQWIXIFHSA-N	250.342	1.618	10	20	CDCD	
CN(C)c1ccc(CN[C@H](CO)[C@@H]2CCCOC2)cc1F	840963675	SGNYJZNDOHNCSX-UKRRQHHQSA-N	296.386	1.769	10	20	CDCD	
C[C@H]1CCN(Cc2cc3c(cc2O)OCO3)C[C@H]1C(=O)O	843039106	AVDKFNQONWHMMK-GXSJLCMTSA-N	293.319	1.664	10	20	CDCD	
C[C@H](N[C@H]1CC(=O)N(C)C1)c1ccc(Cl)cc1O	841746213	DCPXFLGVGNIXQX-WPRPVWTQSA-N	268.744	1.927	10	20	CDCD	
COc1cccc(CNC(=O)N[C@@H]2COC[C@H]2C)c1O	926005237	XKSAAHSPOMXVRN-MWLCHTKSSA-N	280.324	1.235	10	20	CDCD	
COc1ccc(N2CCN(C[C@@H](C)N)CC2)cc1F	844221547	PXKPTQSUCDILHS-LLVKDONJSA-N	267.348	1.304	10	20	CDCD	
C[C@H](N)CN(Cc1ccccc1O)C[C@@H]1CCCO1	843356122	GEEJTWITIMSWMS-JSGCOSHPSA-N	264.369	1.720	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CCc2nc[nH]c2C1	929081369	LZJSLNCVSXKNNZ-DUXPYHPUSA-N	285.303	1.419	10	20	CDCD	
CC[C@@H](NC)C(=O)N(C)CCN(C)c1ccc(OC)cc1	852834757	ATBYICFSSRTTEQ-OAHLLOKOSA-N	293.411	1.588	10	20	CDCD	
CO[C@@]1(C)C[C@H]1NC(=O)/C=C/c1ccc(O)c(O)c1	856267675	DMMFALPSABFVEU-HRLNJXSSSA-N	263.293	1.405	10	20	CDCD	
COc1cc(O)c(CN(C)CC2(C)COC2)cc1OC	862477366	KRUMTTBSFNGPAO-UHFFFAOYSA-N	281.352	1.878	10	20	CDCD	
Cn1cnc(/C=C\C(=O)N2C[C@@H](O)Cc3ccccc32)c1	935712758	CIIIQKMEQDYSGU-AFNCTOJWSA-N	283.331	1.384	10	20	CDCD	
COC/C=C/C(=O)NCc1cccc(OC)c1O	866764979	ZERXDCGDEFJXBJ-QPJJXVBHSA-N	251.282	1.220	10	20	CDCD	
CC(C)CN(C)S(=O)(=O)N[C@H](C)c1ccccc1O	867833900	GSSNPFGJJBJSGI-LLVKDONJSA-N	286.397	1.875	10	20	CDCD	
Cc1nnc(O)c(C(=O)NCc2ccc(O)c(O)c2)c1C	768917992	ZYKUPBQAJLEDHX-UHFFFAOYSA-N	289.291	1.140	10	20	CDCD	
COC[C@@](C)(CO)NCc1cc(F)c(N(C)C)cc1F	1118987589	WRHXCODUSZZTAL-CQSZACIVSA-N	288.338	1.518	10	20	CDCD	
Cc1ccc(CNCCCN2CCN(C)CC2)c(O)c1	877143269	JWJASDWTMPVXRN-UHFFFAOYSA-N	277.412	1.428	10	20	CDCD	
Cc1ccc(CN2CCN(CCCCO)CC2)c(O)c1	876724957	KRGQHSFRTIPODU-UHFFFAOYSA-N	278.396	1.591	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)NCCc1cnccn1	775456238	ZNXDPGNTHWBKOZ-UHFFFAOYSA-N	286.335	1.566	10	20	CDCD	
CCOC(=O)NCCC(=O)N(C)c1ccc(N)cc1	877080852	PDJCGMSQCIUTJY-UHFFFAOYSA-N	265.313	1.368	10	20	CDCD	
COC(=O)c1cc(CNCc2cccc(OC)c2O)on1	877526073	PHTOWHWVSWLASQ-UHFFFAOYSA-N	292.291	1.465	10	20	CDCD	
O=C(Cc1ccncc1)NCc1ccc(O)c(O)c1	779675953	PSOGBDAFMSJWLJ-UHFFFAOYSA-N	258.277	1.352	10	20	CDCD	
CCOCCONC(=O)/C=C\c1ccc(O)c(O)c1	775238981	QYLMVQHVNDRSRA-XQRVVYSFSA-N	267.281	1.195	10	20	CDCD	
Cc1noc([C@H](C)NC(=O)/C=C\c2ccc(O)c(O)c2)n1	779506649	RLYMDNWGASLYIW-HORMHSFOSA-N	289.291	1.680	10	20	CDCD	
CCS(=O)(=O)C[C@@H](C)NCc1cc(F)cc(F)c1O	882995644	HOVOUFAFIDYWHK-MRVPVSSYSA-N	293.335	1.583	10	20	CDCD	
O=C1O[C@H]2C[C@H]1N(Cc1cc(F)cc(F)c1O)C2	894878197	UPGQCDHORVDWPA-WCBMZHEXSA-N	255.220	1.170	10	20	CDCD	
COC(=O)CCCC(=O)NCc1cc(OC)ccc1O	780980397	QGNJFTXCAGMNGL-UHFFFAOYSA-N	281.308	1.360	10	20	CDCD	
COc1cc(C)cc(CN[C@@H]2C=C[C@H](CO)C2)c1O	894399592	GWLHQWWLGBXWKL-WCQYABFASA-N	263.337	1.736	10	20	CDCD	
Cn1cc(/C=C/C(=O)N(CCC(N)=O)c2ccccc2)cn1	1318157086	OHMOGVGEFWVSBZ-BQYQJAHWSA-N	298.346	1.342	10	20	CDCD	
CC[C@H](C(=O)O)N1CCOc2cc(N(C)C)ccc21	1594775363	OFDAGKQXTGILHM-LLVKDONJSA-N	264.325	1.815	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)c1ccc(N)nc1	746313802	AQVYZGCXVJUIBZ-UHFFFAOYSA-N	257.293	1.642	10	20	CDCD	
Cc1sc(=O)n(CC(=O)N(C)c2ccc(N)cc2)c1C	71351352	APTUEIMSDSUYMN-UHFFFAOYSA-N	291.376	1.772	10	20	CDCD	
CCOc1ccc(N2CCN([C@H](CC)CO)CC2)cc1	1333144689	UAJPDVTYFQUVLT-CQSZACIVSA-N	278.396	1.978	10	20	CDCD	
COc1ccc(CN[C@H]2CCN(C3CC3)C2)c(O)c1OC	1334167134	CFABEXFEULUAAS-LBPRGKRZSA-N	292.379	1.736	10	20	CDCD	
NC[C@@H]1CC[C@@H](NC(=O)NCc2ccc(N)cc2)C1	1335680769	ZHUMHDBHPCFNOF-DGCLKSJQSA-N	262.357	1.195	10	20	CDCD	
CC[C@H](NCc1ccc(N2CCN(C)CC2)cc1)[C@@H](C)O	1261256413	GISANYQAIHUISW-PBHICJAKSA-N	291.439	1.687	10	20	CDCD	
CCC[C@@H](O)[C@H](CO)NCc1ccc(N2CCCC2)cc1	1345189562	AIWHAICUXDUHIO-DLBZAZTESA-N	292.423	1.898	10	20	CDCD	
Cc1cccc(O)c1CN1CC(c2cc(C(=O)O)n[nH]2)C1	1600542514	DMGZOKVDCQRKRR-UHFFFAOYSA-N	287.319	1.721	10	20	CDCD	
C[C@@H](Cc1cnc[nH]1)C(=O)NCc1cccc(O)c1O	1521851311	KIWIKMLHZIOTBC-VIFPVBQESA-N	275.308	1.316	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](C)CC(=O)O	1609755269	ZBNHXGGVNHNUIT-IUCAKERBSA-N	281.308	1.256	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)O[C@H](C(=O)O)C1CC1	1601237858	FHVBSQWOYTVANL-XYRDXQRHSA-N	278.260	1.517	10	20	CDCD	
Cc1cc(CN(C)c2ccc(OCC(=O)O)cc2)n[nH]1	1600190223	FFUMNWVMYKJTLL-UHFFFAOYSA-N	275.308	1.818	10	20	CDCD	
C[C@@H](CCO)CN[C@@H](C)c1cc(C(=O)O)ccc1O	1592529934	JDAPIYNAGOXPJI-UWVGGRQHSA-N	267.325	1.760	10	20	CDCD	
CC(C)(CCNC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)O	1590675622	FPWSPXYHAIITOM-XQRVVYSFSA-N	293.319	1.728	10	20	CDCD	
CN(c1ccc(/C=C/C(=O)O)cc1[N+](=O)[O-])[C@@H]1CCOC1	160155875	LIMGUBUBWHNJTG-JOAKQRRISA-N	292.291	1.918	10	20	CDCD	
COC1CC(NCc2ccc(N(C)C)cc2)(C(=O)O)C1	1777164480	VACYHIGLJOWOSM-UHFFFAOYSA-N	278.352	1.474	10	20	CDCD	
COc1cc(Cl)cc(CN(C)[C@H]2CCNC2)c1O	229103465	QHGMXRKPQKKSBQ-NSHDSACASA-N	270.760	1.848	10	20	CDCD	
Cc1ccc([C@@H](C)NCCCNS(C)(=O)=O)c(O)c1	184921231	OHHHHZNMPRMZOD-LLVKDONJSA-N	286.397	1.291	10	20	CDCD	
COc1cc(Cl)cc(CN(C)CCNC(C)=O)c1O	308196158	RDMHXDDBKHAOEI-UHFFFAOYSA-N	286.759	1.622	10	20	CDCD	
CCOc1cccc(CNCCN2CCCC2=O)c1O	405367285	LKANVHRCZYSNTJ-UHFFFAOYSA-N	278.352	1.503	10	20	CDCD	
CCO[C@@H]1C[C@H]1C(=O)N1CCOc2cc(N(C)C)ccc21	173196145	PADRBFVNTYTUPY-TZMCWYRMSA-N	290.363	1.903	10	20	CDCD	
C[C@@H](Cn1cncn1)NCc1ccc(N(C)C)c(F)c1	113330100	BTDMUGUFVHDQFZ-NSHDSACASA-N	277.347	1.662	10	20	CDCD	
COc1ncccc1CNC(=O)c1ccc(C)c(O)c1O	179416186	RXJGQACCWWZFMN-UHFFFAOYSA-N	288.303	1.740	10	20	CDCD	
COc1ccc(O)c(CN[C@H]2C[C@H](O)C2(C)C)c1	129639413	HCCBTFYDJBENHY-STQMWFEESA-N	251.326	1.650	10	20	CDCD	
COc1cccc(CNC(=O)[C@@H](O)c2ccccc2)c1O	122619590	CJGOGMJRBJXWDM-HNNXBMFYSA-N	287.315	1.751	10	20	CDCD	
CC(C)N1CCN(C(=O)Cc2ccc(N)cc2)CC1	36170434	IIEBYIUSVINMAD-UHFFFAOYSA-N	261.369	1.364	10	20	CDCD	
COc1cccc(CN(C)CC(=O)NC2CC2)c1O	120355730	IROQBXRCHOBIHK-UHFFFAOYSA-N	264.325	1.111	10	20	CDCD	
COC(=O)C[C@@H]1CN(Cc2cc(F)ccc2O)CCO1	180166125	PFELBPUTWRXUER-GFCCVEGCSA-N	283.299	1.295	10	20	CDCD	
Cc1cc(C)n2nc(C(=O)Nc3ccc(N)cc3)nc2n1	237710977	LZJHINGBZSPXGV-UHFFFAOYSA-N	282.307	1.576	10	20	CDCD	
CC[C@H]1CN(Cc2ccc([N+](=O)[O-])c(OC)c2O)CCO1	278284097	UAKXBSRUOGQHBV-NSHDSACASA-N	296.323	1.920	10	20	CDCD	
Cc1ccc(C(=O)N[C@@H]2CCO[C@H](C)C2)c(O)c1O	272962136	JSUIOFLQRYRPSV-NXEZZACHSA-N	265.309	1.704	10	20	CDCD	
Cc1ccc(O)c(CN2CCN([C@@H]3CCC[C@@H]3O)CC2)c1	371326973	LABQXJVSKQDJTL-WBVHZDCISA-N	290.407	1.732	10	20	CDCD	
CO[C@@H]1[C@@H]2C[C@H]3[C@@H](C2)CN(C(=O)c2cccc(O)c2O)[C@H]31	376155855	GBWQUELAQCMSQE-ZZCYOAIASA-N	289.331	1.593	10	20	CDCD	
C[C@H](CN)C(=O)NCc1ccc(N(C)C)c(F)c1	285688769	ALAMEXNNUDKPJJ-SECBINFHSA-N	253.321	1.103	10	20	CDCD	
COc1cccc(CNC(=O)[C@@H]2CCCN2C2CC2)c1O	280031056	YUBNQRKMMNSOMU-ZDUSSCGKSA-N	290.363	1.644	10	20	CDCD	
CC[C@H](N[C@H](CCO)COC)c1ccc(F)cc1O	286089468	MQKZYRUPTPFZMC-YPMHNXCESA-N	271.332	1.969	10	20	CDCD	
CC(=O)C(=O)COc1cc(Cl)ccc1[N+](=O)[O-]	808022074	HWHMQCWPSDMBBK-UHFFFAOYSA-N	257.629	1.785	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C[C@H]1CCC(=O)N1	816822341	HYGWAMMZTBWNKD-CYBMUJFWSA-N	289.379	1.380	10	20	CDCD	
C[C@@H](NC(=O)C[C@@H]1CCC(=O)NC1)c1ccccc1O	827952462	SYHMTTIEBZADFZ-MNOVXSKESA-N	276.336	1.486	10	20	CDCD	
COC(=O)C1(C)CN(Cc2cccc(OC)c2O)C1	822534713	UQARWAVVXQWLEC-UHFFFAOYSA-N	265.309	1.396	10	20	CDCD	
CC[C@](C)(NC(=O)c1cc(O)cs1)C(=O)OC	824975259	CDVPVYRDDYTSAH-NSHDSACASA-N	257.311	1.525	10	20	CDCD	
CN(Cc1ccco1)C(=O)COC(=O)c1cc(O)cs1	731912591	UIBBDJUECATDKC-UHFFFAOYSA-N	295.316	1.862	10	20	CDCD	
COc1cccc(/C=C2/SC(=S)N(C)C2=O)n1	588578125	PQRIBTINYHWJDG-SOFGYWHQSA-N	266.347	1.921	10	20	CDCD	
CC(C)OC(=O)CCNC(=O)c1cc(O)cs1	732259699	WUMQRYOCFVTXNJ-UHFFFAOYSA-N	257.311	1.525	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N1CCC(O)CC1	734687884	WXYXMYAVFGDFPK-UHFFFAOYSA-N	291.395	1.727	10	20	CDCD	
CCOc1ccc(O)c(CN2C[C@@H](C(=O)O)[C@@H](C)C2)c1	833662296	AWLCRPGOSGLADH-GXFFZTMASA-N	279.336	1.943	10	20	CDCD	
CCO[C@@H]1C[C@@H](NC(=O)Cc2ccc(N)cc2)[C@H]1OC	832152571	RNBLHVUOYVNKKE-UMVBOHGHSA-N	278.352	1.120	10	20	CDCD	
O=C(NCc1nc(C2CC2)no1)c1cc(O)cs1	731871667	PUPMTYCLPWCVLD-UHFFFAOYSA-N	265.294	1.644	10	20	CDCD	
Cc1cnn(CCC(=O)NCc2ccccc2O)c1	748345561	NLEAYIZMNJIINC-UHFFFAOYSA-N	259.309	1.604	10	20	CDCD	
N[C@@H](CNCc1ccc(N2CCOCC2)cc1)C1CC1	841049639	MPLURLNEHYFNDV-INIZCTEOSA-N	275.396	1.350	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)[C@H](C)C(=O)O)cc1	842569775	JVLMOCGAJIFLFB-NSHDSACASA-N	278.352	1.870	10	20	CDCD	
NC[C@@H]1CC[C@@H](NCc2ccc(N3CCOCC3)cc2)C1	841084430	JHQOCKFDCYDDMC-HZPDHXFCSA-N	289.423	1.740	10	20	CDCD	
CCc1cccc(CN[C@H]2CCc3nc(C)nn3C2)c1O	848894248	HDTHBKANWFLSIQ-AWEZNQCLSA-N	286.379	1.959	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNCCNC(=O)C1CC1	840928568	YZYOHZDNXYBSHY-UHFFFAOYSA-N	275.396	1.677	10	20	CDCD	
COC(=O)[C@H]1CNCCCN1Cc1ccc(N(C)C)cc1	843123172	IOYUNSHWNQWONE-OAHLLOKOSA-N	291.395	1.090	10	20	CDCD	
Oc1cc2c(cc1CN1CC[C@H](F)C1)[C@@H](O)CO2	840103646	NIUJHEVWXKTPTL-CABZTGNLSA-N	253.273	1.362	10	20	CDCD	
CCOCC(C)(C)NC(=O)NCCc1ccc(N)cc1	841956114	VNYZAGIFEUKSLV-UHFFFAOYSA-N	279.384	1.926	10	20	CDCD	
CCOc1ccc(O)c(CN[C@@H]2CCCN(C)C2=O)c1	748242781	QJQVJYWELPNULJ-CYBMUJFWSA-N	278.352	1.501	10	20	CDCD	
CNC[C@H]1CCCN(Cc2cc3c(cc2O)OCO3)C1	843045632	YKDIMLJAJDCAKD-LLVKDONJSA-N	278.352	1.552	10	20	CDCD	
CO[C@H]1CCN(Cc2ccc(N(C)C)cc2)[C@@H](C(=O)O)C1	851708265	SYMNDQQXWUTCQL-LSDHHAIUSA-N	292.379	1.817	10	20	CDCD	
C[C@@H]1C[C@H](NC[C@@]2(O)CCOC2)c2c(O)ccc(F)c21	756769826	NYYBHNQAKHRFCO-VPJDZLOFSA-N	281.327	1.821	10	20	CDCD	
CN(CCNCc1cc([N+](=O)[O-])ccc1O)CC(F)F	858336756	SFFDDWZIQCGXTF-UHFFFAOYSA-N	289.282	1.587	10	20	CDCD	
CCc1nc(COC(=O)c2cccc(O)c2O)no1	758563155	UOGKWPVUXZTDGV-UHFFFAOYSA-N	264.237	1.400	10	20	CDCD	
C[C@@H](NCCN1CC[C@@H](O)C1)c1cc(F)cc(F)c1O	858549214	VAIKMSNLSSCLLK-MWLCHTKSSA-N	286.322	1.388	10	20	CDCD	
CC(C)[C@](C)(NC(=O)c1cc(O)cs1)C(N)=O	854424069	NRTXBRVDYIPCGO-NSHDSACASA-N	256.327	1.084	10	20	CDCD	
C[C@@H](NCCN1CC[C@@H](O)C1)c1ccc(Cl)cc1O	858547661	ICHXAOXHVZQDCR-ZYHUDNBSSA-N	284.787	1.763	10	20	CDCD	
CON(C)C(=O)[C@H](C)N[C@H](C)c1cc([N+](=O)[O-])ccc1O	858580736	VHCOFLABPGAEOU-BDAKNGLRSA-N	297.311	1.359	10	20	CDCD	
COc1ccc(N(C)C(=O)/C=C\c2cnn(C)c2)cn1	920925479	MAWKRXONWNMGJU-DAXSKMNVSA-N	272.308	1.500	10	20	CDCD	
CC(=O)c1cc(F)cc(CN(C)C[C@H]2COCCO2)c1O	852495279	IPWQXPWOQPWVDR-ZDUSSCGKSA-N	297.326	1.581	10	20	CDCD	
COc1cccc(CNc2ncnc3nccnc23)c1O	752636073	PZGIWBJSMVMCAH-UHFFFAOYSA-N	283.291	1.746	10	20	CDCD	
CC(=O)NC[C@@H]1CCCCN1C(=O)c1cc(O)cs1	863813748	QAPHYAKWTVFGDM-JTQLQIEISA-N	282.365	1.585	10	20	CDCD	
CC(=O)c1cc(F)cc(CN(C)CCOCCN)c1O	863555092	NNEXHVOWIIIAHG-UHFFFAOYSA-N	284.331	1.141	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)C(C)(C)S(C)(=O)=O)c1	862759895	KGABBWPSPSLTFP-UHFFFAOYSA-N	285.365	1.140	10	20	CDCD	
Cc1ccn(C[C@@H](C)C(=O)NCc2ccccc2O)n1	866755494	JWOBJOAAIIRWPO-LLVKDONJSA-N	273.336	1.850	10	20	CDCD	
CCOc1ccc(CN2CCCC[C@H]2C(=O)NC)c(O)c1	768346475	OKHKYCTZRDMRRK-AWEZNQCLSA-N	292.379	1.891	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)c1cc2n(n1)CCCO2	762097242	CKMATYGYEZFRBM-UHFFFAOYSA-N	289.291	1.007	10	20	CDCD	
Cc1cccc(O)c1CN[C@@H]1CCCS(=O)(=O)C1	877056729	OKUQYAKSTQGBEE-LLVKDONJSA-N	269.366	1.367	10	20	CDCD	
Cc1n[nH]c(C)c1CCC(=O)NCCc1ccc(N)cc1	876528537	SEDUECHMLBKHDA-UHFFFAOYSA-N	286.379	1.900	10	20	CDCD	
CCN(C)c1ccc(CN2C[C@H]3C[C@@]3(CO)C2)cc1	773889587	YCJQCIYCVUTSJR-ZBFHGGJFSA-N	260.381	1.957	10	20	CDCD	
COC(=O)[C@H]1C[C@@H](NC(=O)NCc2cc(C)ccc2O)C1	875670465	VBQUAWSGUQMIQY-KLPPZKSPSA-N	292.335	1.451	10	20	CDCD	
Cc1c[nH]nc1CNCc1ccc(N2CCN(C)CC2)cc1	883283604	LRWIVFIHCZNWAY-UHFFFAOYSA-N	299.422	1.760	10	20	CDCD	
CO[C@@H]1CCOC[C@H]1NCc1cc(C)c(C)cc1O	897891889	WPYUYTZTAKFAAK-UKRRQHHQSA-N	265.353	1.903	10	20	CDCD	
Nc1ccc(CCNC(=O)N2C[C@H]3C=C[C@H]2C3)cc1	892039138	PVOMZPVBDKRVTH-JSGCOSHPSA-N	257.337	1.781	10	20	CDCD	
Cc1cccc(O)c1CN1CC[C@@H](C2OCCO2)C1	896379677	CYNIQPRUFTYUMR-GFCCVEGCSA-N	263.337	1.895	10	20	CDCD	
O=[N+]([O-])c1ccc(O)c(CNC[C@@H](O)C(F)(F)F)c1	791000157	NBNKBUCJTFEDGV-SECBINFHSA-N	280.202	1.313	10	20	CDCD	
COC[C@@H](CO)N[C@@H](C)c1cc(Cl)ccc1O	794839100	YRAXGWCPHAVCAY-WCBMZHEXSA-N	259.733	1.704	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1csc(O)n1	792306961	LJKCJRSGLVNWQV-SSDOTTSWSA-N	294.332	1.621	10	20	CDCD	
CCCCNCCNC(=O)c1ccc(N=NC(N)=O)cc1	1153037292	KXIMNEGQWJGTJJ-UHFFFAOYSA-N	291.355	1.969	10	20	CDCD	
CN[C@H](C)CCNC(=O)NCc1cccc(OC)c1O	1327485481	FKRILWIITFFNLH-SNVBAGLBSA-N	281.356	1.198	10	20	CDCD	
CCN1CCC[C@@H](NCc2cccc(OC)c2O)C1=O	722358665	CYMNHQKIHSKOCN-GFCCVEGCSA-N	278.352	1.501	10	20	CDCD	
CCS(=O)(=O)CCN(C)Cc1c(O)cccc1OC	769484123	CVPFZRSLZZNJLW-UHFFFAOYSA-N	287.381	1.267	10	20	CDCD	
C[C@@H]1C[C@@H](NC(=O)NCc2ccc(N)cc2)CCO1	1262578942	CLCUBNBPETUGAI-MFKMUULPSA-N	263.341	1.636	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1C[C@@H]1F	1348212301	KCKAQBVBNOBPIA-QNSHHTMESA-N	253.273	1.503	10	20	CDCD	
CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@H]1F	1347045323	ZMLBILYENJBKEC-VXGBXAGGSA-N	295.310	1.642	10	20	CDCD	
COc1ccc(CN[C@@H](CSC)C(=O)O)cc1C	1350653293	MVEPDHZOQUHHKR-NSHDSACASA-N	269.366	1.909	10	20	CDCD	
O=C(O)C1=CC[C@H](NCc2cccc(F)c2O)C1	1601739741	BDMHECSXPOVMCW-JTQLQIEISA-N	251.257	1.794	10	20	CDCD	
Oc1cccc(F)c1CNc1nnccc1-c1nn[nH]n1	1607111963	QIRDKRYEGIFKDO-UHFFFAOYSA-N	287.258	1.114	10	20	CDCD	
Cc1noc(CSc2ncc(C(=O)O)s2)n1	1608027487	VJFLQRCYBFGRPR-UHFFFAOYSA-N	257.296	1.825	10	20	CDCD	
CC[C@@H](NCc1ccc(OC)c(OC)c1O)C(=O)O	1603915831	OSVXWWZQNMKTDB-SECBINFHSA-N	269.297	1.362	10	20	CDCD	
CCC(CC)(C(=O)O)C(=O)NCc1ccc(O)cc1O	1603522237	GQMHCLALYMEAAS-UHFFFAOYSA-N	281.308	1.605	10	20	CDCD	
Cn1ncnc1CSc1ncc(C(=O)O)s1	1608165072	BJNNZSMSVPXGOZ-UHFFFAOYSA-N	256.312	1.262	10	20	CDCD	
Cc1nnc([C@H](C)NC(=O)Nc2ccc(N)cc2)o1	1579897176	MQXWVEAFQJUKNM-ZETCQYMHSA-N	261.285	1.843	10	20	CDCD	
NOCC(=O)Nc1c(-c2ccccn2)nc2ccccn12	1580359039	DJXRPGSEOJPRLR-UHFFFAOYSA-N	283.291	1.225	10	20	CDCD	
CNC(=O)C[C@@H](C)N[C@@H](C)c1cc(C(=O)O)ccc1O	1598640423	XULYLCCBJHQQKS-BDAKNGLRSA-N	280.324	1.266	10	20	CDCD	
CCOc1cccc(CN2C[C@H](O)C[C@@H](C(=O)O)C2)c1O	1597155885	VKZYPWQQDVSWEJ-VXGBXAGGSA-N	295.335	1.058	10	20	CDCD	
CS[C@H]1CN(C(=O)Nc2ccc(N)cc2)C[C@@H]1N(C)C	841295590	CAZMWEQMHAUAJU-STQMWFEESA-N	294.424	1.778	10	20	CDCD	
NC(=O)c1ccc(C(=O)NCc2ccccc2O)cc1	701181489	WJNZZMCNHGMPHF-UHFFFAOYSA-N	270.288	1.421	10	20	CDCD	
C[C@H](NCc1ccc2c(c1)CCO2)c1cn(C)nn1	720538050	XQKOGMBHKPHGCK-JTQLQIEISA-N	258.325	1.601	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)c2ncccc2O)c1	104900919	BRVZTRSUXILNHS-VIFPVBQESA-N	288.303	1.992	10	20	CDCD	
OC1CCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1	305727434	IKVVSCBNQYRKGA-UHFFFAOYSA-N	294.370	1.619	10	20	CDCD	
CNCCCNC(=O)NCc1c(C)c2ccccc2n1C	418102923	VEAXSCGUOBTOOH-UHFFFAOYSA-N	288.395	1.895	10	20	CDCD	
COCCCNC(=O)/C=C/c1ccc(O)c(O)c1	180585401	IBSFADNJVYGLFN-GQCTYLIASA-N	251.282	1.264	10	20	CDCD	
C[C@@H](CC[S@@](C)=O)NCc1ccc(N(C)C)cc1	125483015	WIJUFOKTDKSHKU-SGTLLEGYSA-N	268.426	1.999	10	20	CDCD	
CN(CCOCC1CC1)Cc1cc2c(cc1O)OCO2	88507650	YDQXTMQOCBFGTR-UHFFFAOYSA-N	279.336	1.979	10	20	CDCD	
Cn1cnnc1[C@H]1CCCN1C(=O)c1cccc(O)c1O	193151258	HZDTWURXHPKSHK-SNVBAGLBSA-N	288.307	1.204	10	20	CDCD	
C[C@@H](C#N)CN(C)CC(=O)NCc1ccc(N(C)C)cc1	143177398	DIGGNAARKWWVHL-ZDUSSCGKSA-N	288.395	1.460	10	20	CDCD	
C[C@@H](CCO)N[C@H](C)c1ccc(N2CCOCC2)cc1	269011203	MXZOMBMMPKSTRY-UONOGXRCSA-N	278.396	1.945	10	20	CDCD	
COCCOCCC(=O)NCc1cccc(OC)c1O	264251023	GMOXWCWAYSQYSV-UHFFFAOYSA-N	283.324	1.070	10	20	CDCD	
CC[C@H](NC[C@@H](O)c1cnn(C)c1)c1ccccc1O	274878186	HANRRHPEPQRAKC-DZGCQCFKSA-N	275.352	1.900	10	20	CDCD	
CC(C)N1CC(=O)N(Cc2ccc(N(C)C)cc2)C1=O	277293016	JKAORHHCGSVEDF-UHFFFAOYSA-N	275.352	1.925	10	20	CDCD	
CS(=O)(=O)[C@@H]1CCCCN(Cc2ccccc2O)C1	278620390	HISGZBMLUUIQED-CYBMUJFWSA-N	283.393	1.791	10	20	CDCD	
C[C@H]1C[C@@H](C(=O)NCc2ccc(N(C)C)c(F)c2)CCN1	279868850	CYTDBLYPDDKZNG-AAEUAGOBSA-N	293.386	1.896	10	20	CDCD	
Cc1ccc([C@@H](O)CNC(=O)c2ccc(C)c(O)c2O)o1	272777807	UNQFNIGCSYXQKR-NSHDSACASA-N	291.303	1.771	10	20	CDCD	
COc1ccc2c(c1)CCCCN2CCOCCO	374292745	FKKZXGWDHGDMER-UHFFFAOYSA-N	265.353	1.847	10	20	CDCD	
C[C@H](NCc1ccc(N(C)C)c(F)c1)C(=O)NCCF	282783115	VWDYHQPGZXDGIR-JTQLQIEISA-N	285.338	1.456	10	20	CDCD	
C[C@@H](NCC1([S@](C)=O)CC1)c1cc([N+](=O)[O-])ccc1O	282498928	XZQBDIDLVJIIRG-YBYGRFCBSA-N	298.364	1.862	10	20	CDCD	
CCn1c(SCC(=O)C(C)=O)nnc1-c1ccncc1	808011004	MRZXNLQCCBCQAM-UHFFFAOYSA-N	290.348	1.610	10	20	CDCD	
CC(=O)C(=O)COc1ccc([N+](=O)[O-])cc1Cl	808012037	CLCBQJQSKXWGTI-UHFFFAOYSA-N	257.629	1.785	10	20	CDCD	
C[C@@H](CCO)CCNCc1cc([N+](=O)[O-])ccc1O	295203890	ZCUUQCLQCIIYRR-SNVBAGLBSA-N	268.313	1.799	10	20	CDCD	
COc1cc(Cl)cc(CN[C@@]2(C)CCOC2=O)c1O	290857962	JMLCOXNTGYTSTR-ZDUSSCGKSA-N	285.727	1.849	10	20	CDCD	
Cc1cc(CN2CCCNC(=O)[C@@H]2C)ccc1N(C)C	294565493	LUJLMUWLRMIGQA-ZDUSSCGKSA-N	275.396	1.771	10	20	CDCD	
O=C(O)[C@@]12C[C@@H](NCc3cc(F)ccc3O)C[C@@H]1C2	713057188	GAANIULXZJYFGX-PUYPPJJSSA-N	265.284	1.874	10	20	CDCD	
Cc1nccnc1CCNC(=O)/C=C/c1ccc(O)c(O)c1	818544138	VJGOCVHJGQCKHJ-HWKANZROSA-N	299.330	1.568	10	20	CDCD	
Oc1cc(F)c(Cl)cc1CNCc1nnnn1C1CC1	816555132	VBYIRUHDDFKIRS-UHFFFAOYSA-N	297.721	1.796	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)N1CCO[C@@H]2C[C@H]21	816900412	NNFWNCLDRSARBV-GMIKGCRTSA-N	261.277	1.111	10	20	CDCD	
C[C@H](NCc1ccc(N2CCSCC2)cc1)C1CNC1	817888055	IXWAIJKTGBQMSN-ZDUSSCGKSA-N	291.464	1.937	10	20	CDCD	
CCN(C(=O)/C=C\c1cn(C)cn1)c1cnn(C)c1	824353794	RYOLGBIMUPXNPY-WAYWQWQTSA-N	259.313	1.220	10	20	CDCD	
C[C@@H](NC(=O)[C@@H](C)N1CCN(C)CC1)c1ccccc1O	827936895	FVOFNCIMCSOAFL-CHWSQXEVSA-N	291.395	1.205	10	20	CDCD	
CNCCC(=O)NCCCSc1nccs1	829528700	VKSWSHVPMYWRGT-UHFFFAOYSA-N	259.400	1.351	10	20	CDCD	
CCN(CC)c1ccc(CNC(=O)[C@@H](N)COC)cc1F	829038794	OZZMGTSKXWMTMA-ZDUSSCGKSA-N	297.374	1.262	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)C(C)(C)CN)c1	828666943	KGXQFUQBWNPWCS-VIFPVBQESA-N	266.341	1.563	10	20	CDCD	
c1cc2c(cc1CNC[C@H]1CNCCCO1)CCCO2	904358094	HUHYLEGOPGKXJS-OAHLLOKOSA-N	276.380	1.480	10	20	CDCD	
COC(=O)[C@@H]1CC12CCN(C(=O)c1cc(O)cs1)CC2	733813583	WLVRWNXAYCZYJE-JTQLQIEISA-N	295.360	1.869	10	20	CDCD	
CO[C@@H]1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)C[C@@H]1C	836839008	XIWYPWVPWSXXEC-VWHOVGTBSA-N	291.347	1.994	10	20	CDCD	
Cc1cn(C)nc1C(=O)NCc1ccc(N(C)C)c(F)c1	839608641	VXBWULJVMRNPRT-UHFFFAOYSA-N	290.342	1.864	10	20	CDCD	
COC(=O)CC(=O)N(C)CCN(C)c1ccc(OC)cc1	911893991	VXCCJJAEKPKWRU-UHFFFAOYSA-N	294.351	1.153	10	20	CDCD	
CCOc1ccc(CN[C@H](C)C(=O)NC(C)C)c(O)c1	840974276	DJAXHIBWKBSIOA-LLVKDONJSA-N	280.368	1.794	10	20	CDCD	
COc1cccc(CNC(=O)NC[C@@]2(C)CCOC2)c1O	745818370	NGIRMTUFHQBBJJ-OAHLLOKOSA-N	294.351	1.627	10	20	CDCD	
C/C=C/C=C/C(=O)OCC(=O)c1ccc(O)c(O)c1	916590046	BGAIYKNTYGYQON-MQQKCMAXSA-N	262.261	1.956	10	20	CDCD	
CNC[C@@H]1C[C@H](F)CN1Cc1cccc(F)c1O	843121332	DMIYHSFQJXWGBP-QWRGUYRKSA-N	256.296	1.663	10	20	CDCD	
COC[C@@H]1CN(Cc2ccc(N(C)C)cc2C)CCO1	840916587	BQGJZSUHSFYPJO-INIZCTEOSA-N	278.396	1.908	10	20	CDCD	
CCOc1ccc(CN[C@H]2C[C@H](CO)C2)c(O)c1	923008752	XONJFNWDZPSSIS-UMSPYCQHSA-N	251.326	1.651	10	20	CDCD	
CCN(C)c1ccc(CN2CCOC[C@@H]2COC)cc1	933331664	MUHPKZKMPLVUTC-INIZCTEOSA-N	278.396	1.990	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)C2CCC(O)CC2)c1	862755063	BPRSFTAHOMWXJQ-UHFFFAOYSA-N	263.337	1.868	10	20	CDCD	
Cc1ccc(O)c(CNC(=O)[C@H]2CCc3c[nH]nc3C2)c1	862759726	HMZGSYYNRKCGBA-NSHDSACASA-N	285.347	1.845	10	20	CDCD	
Cc1ccc(CN[C@H](C)CO[C@H]2CCOC2)c(O)c1	877092866	MEYLTAZDDVSXIK-OCCSQVGLSA-N	265.353	1.984	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1c[nH]cc(C)c1=O	781426455	OOOKODWPERJRQU-UHFFFAOYSA-N	299.374	1.988	10	20	CDCD	
CCOc1cccc(CN[C@H](COC)C(=O)OC)c1O	789576895	SHMIWDGXWVQVND-LLVKDONJSA-N	283.324	1.069	10	20	CDCD	
CCOc1ccc(CN2C[C@@H]3C[C@@]3(CO)C2)c(O)c1	783735320	PGGFGEUUKTVELI-WFASDCNBSA-N	263.337	1.605	10	20	CDCD	
CO[C@@H]1CN(Cc2c(O)cccc2Cl)CCO1	895967923	FQUFWZPDGRTWIC-LBPRGKRZSA-N	257.717	1.850	10	20	CDCD	
COc1ccc(CN(C[C@H](C)O)C2CC2)c(O)c1OC	895231309	YAARAHVMKVBBEQ-JTQLQIEISA-N	281.352	1.755	10	20	CDCD	
CCn1cccc(CNC(=O)c2cc(O)cs2)c1=O	791006608	LKXJIYIQSFUXEM-UHFFFAOYSA-N	278.333	1.565	10	20	CDCD	
CN(CCC(=O)N1CCOCC1)Cc1ccccc1O	109771490	PGEHZZHPNBLLPA-UHFFFAOYSA-N	278.352	1.073	10	20	CDCD	
O=C(N[C@H]1CCCOCC1)c1cccc(O)c1O	193153462	RDUIVWSACFIRPX-VIFPVBQESA-N	251.282	1.397	10	20	CDCD	
COc1cc(Cl)cc(CNC[C@H]2C[C@@H](O)C2)c1O	720951488	OLORWPILAOAQMF-DKTWLAJQSA-N	271.744	1.915	10	20	CDCD	
CSCCONC(=O)NCc1ccc(N)cc1	1336089149	BQCAJFFTELMKIA-UHFFFAOYSA-N	255.343	1.363	10	20	CDCD	
CCOC(=O)C[C@@H](C)CNC(=O)NCc1ccc(N)cc1	1262578908	BJKRVAVLAKIUGL-LLVKDONJSA-N	293.367	1.657	10	20	CDCD	
CN(CC(F)F)C(=O)C(=O)NCc1ccc(N(C)C)cc1	1340247207	IIPLRKXVYDHKKA-UHFFFAOYSA-N	299.321	1.092	10	20	CDCD	
CON(C)CCNC(=O)NCc1ccc(N(C)C)c(F)c1	1261655064	LKHVHOGXBRVTIK-UHFFFAOYSA-N	298.362	1.184	10	20	CDCD	
O=C(O)C(F)(F)CNCc1cc(F)cc(F)c1O	1350653287	MQFPNRKBNMQWIY-UHFFFAOYSA-N	267.178	1.480	10	20	CDCD	
Nc1ccc(CNC(=O)COC[C@@H]2CCCO2)cc1	1515333863	XEEOUCUXECYWJF-ZDUSSCGKSA-N	264.325	1.081	10	20	CDCD	
Cc1cc(O)c(CNCCn2cc(C(=O)O)nn2)cc1C	1600285855	HPYHGFRQSZNIKH-UHFFFAOYSA-N	290.323	1.089	10	20	CDCD	
O=C(O)c1ccc(CNC(=O)c2cc(O)cs2)nc1	1608884401	PTNNCHFVASNLEQ-UHFFFAOYSA-N	278.289	1.477	10	20	CDCD	
O=C(O)CSCCC(=O)N1Cc2cccc(O)c2C1	1608766783	FPLHXXPZZMZOJA-UHFFFAOYSA-N	281.333	1.442	10	20	CDCD	
CC[C@H](C)N(C)CCNCc1cc2c(cc1O)OCO2	217387509	VWUNMWVYNBHFCP-NSHDSACASA-N	280.368	1.941	10	20	CDCD	
CC[C@](COC)(NCc1ccc(OC)c(C)c1)C(=O)O	1595200238	WALWCKMKJSXVCV-OAHLLOKOSA-N	281.352	1.973	10	20	CDCD	
CCN(C)c1ccc(CNC[C@H](OC)C(=O)O)c(C)c1	1776856399	RYYFIIDFOPKLPD-AWEZNQCLSA-N	280.368	1.640	10	20	CDCD	
COc1cc(/C=C2\SC(=S)NC2=O)ccc1C(=O)O	1777287530	HLJPMPWVWJSSJW-UITAMQMPSA-N	295.341	1.882	10	20	CDCD	
COc1cccc(CNCCO[C@H]2CCOC2)c1O	922939569	QQSYTQMLGZRANX-LBPRGKRZSA-N	267.325	1.296	10	20	CDCD	
COC[C@]1(C(=O)O)CCN(Cc2c(C)cccc2O)C1	1593967836	XXPLKPMUMRRYBC-HNNXBMFYSA-N	279.336	1.624	10	20	CDCD	
COc1ccc(CNC[C@@]2(O)CCSC2)cc1C	267008513	FYACACSPZOPSOX-AWEZNQCLSA-N	267.394	1.961	10	20	CDCD	
CC(=O)c1cc(F)cc(CN(CC(N)=O)C(C)C)c1O	50147078	RBNVYUVHCYPLKV-UHFFFAOYSA-N	282.315	1.430	10	20	CDCD	
COc1ccc(O)c(CN(C)[C@@H](C)CS(C)(=O)=O)c1	180236477	RXNNUFJUBDNPLY-JTQLQIEISA-N	287.381	1.266	10	20	CDCD	
OC[C@@]1(NCc2cc(Cl)ccc2O)CCOC1	184190348	CSISEABFAFWJJP-LBPRGKRZSA-N	257.717	1.287	10	20	CDCD	
C[C@@H]1[C@H](C(=O)O)CCN1Cc1cc(F)cc(F)c1O	708215118	HRKXHJDAPRLRKR-GMSGAONNSA-N	271.263	1.965	10	20	CDCD	
CC[C@](C)(O)CNC(=O)NCc1ccc(N(C)C)c(F)c1	105206040	YDXPFIHPDINDFT-HNNXBMFYSA-N	297.374	1.852	10	20	CDCD	
CCN(CC)c1ccc(CN2CCNC(=O)C2)cc1F	179593245	NUJJMZZZAOUMBW-UHFFFAOYSA-N	279.359	1.604	10	20	CDCD	
CN(CCCN1CCOCC1)Cc1ccccc1O	173358968	STBLWTAJZZZYCT-UHFFFAOYSA-N	264.369	1.546	10	20	CDCD	
OCCn1ncc2c1CCC[C@@H]2NCc1ccccc1O	37169229	GDROMLQMCLXMPO-AWEZNQCLSA-N	287.363	1.748	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)c1cc[nH]c(=O)c1	124511115	KNWAJMRWOQNWDG-UHFFFAOYSA-N	285.347	1.679	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NC[C@H]2CCCN2C)cc1	139754019	BGKQZJQCOASMPM-OAHLLOKOSA-N	290.411	1.646	10	20	CDCD	
COC(C)(C)CNCc1cc2c(cc1O)OCO2	135230116	DHHMVZCIISFICB-UHFFFAOYSA-N	253.298	1.636	10	20	CDCD	
COCCCn1ccc(NC(=O)Cc2ccc(N)cc2)n1	237252251	DSLWOJNDVUOKNW-UHFFFAOYSA-N	288.351	1.683	10	20	CDCD	
Cc1ccc(C(=O)N2CCOC[C@H]2C)c(O)c1O	267582162	LASRZDBHVAEWFF-SECBINFHSA-N	251.282	1.267	10	20	CDCD	
CN(Cc1ccccc1O)S(=O)(=O)C[C@H]1CCOC1	265858288	ZYVRRUUCLMUDOU-NSHDSACASA-N	285.365	1.190	10	20	CDCD	
COC(=O)C1(CNC(=O)NCc2ccccc2O)CC1	275006713	RLMWHWDSEGXHRF-UHFFFAOYSA-N	278.308	1.145	10	20	CDCD	
COCCN1CC[C@H](N[C@@H](C)c2cc(OC)ccc2O)C1	273584275	NIGJHMANOVRCLA-STQMWFEESA-N	294.395	1.772	10	20	CDCD	
Cc1cccc(CN[C@@]2(CCO)CCOC2)c1O	278766180	UFFPUFLZUHDFQT-AWEZNQCLSA-N	251.326	1.332	10	20	CDCD	
COc1ccc(O)c(CN(C)[C@@H](C)CN2CCOCC2)c1	279352461	GGXTWTPSHLIQIS-ZDUSSCGKSA-N	294.395	1.553	10	20	CDCD	
C[C@@H]1CCCN(C(=O)C(=O)N(C)Cc2ccccc2O)C1	274552408	WWEKWQFUPZDFGF-GFCCVEGCSA-N	290.363	1.609	10	20	CDCD	
C[C@H]1COCC[C@H]1CNC(=O)/C=C/c1ccc(O)c(O)c1	286769843	IEQIPYGCXORERQ-JZLDWQBISA-N	291.347	1.900	10	20	CDCD	
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc[nH]n1	808094277	IKANXSWLQDKELJ-UHFFFAOYSA-N	266.297	1.531	10	20	CDCD	
C[C@@H](CO)CNC(=O)NCc1ccc2c(c1)CCCN2C	299321185	LDOBTHUOXCSFDY-GFCCVEGCSA-N	291.395	1.497	10	20	CDCD	
c1cc2c(cc1CN[C@H]1CCc3nnnn3CC1)CCO2	817418927	LFCPUGJARWJQEB-ZDUSSCGKSA-N	285.351	1.103	10	20	CDCD	
COC[C@]1(CO)CCN(Cc2cc(Cl)ccc2O)C1	825158708	WWFHQOLAWHEPEF-CQSZACIVSA-N	285.771	1.876	10	20	CDCD	
CNC(=O)[C@H]1CCCN(C(=O)c2cc(O)cs2)C1	732293564	MXIUFMKIBQUUNX-QMMMGPOBSA-N	268.338	1.052	10	20	CDCD	
CCC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1	837707160	URQPLIWYLXOVGR-UHFFFAOYSA-N	284.306	1.828	10	20	CDCD	
COc1cccc(CNC2(CC(=O)O)CCOCC2)c1O	832554575	SDXJPRHVTRJIEQ-UHFFFAOYSA-N	295.335	1.514	10	20	CDCD	
C[C@@H](CC(=O)NCc1ccccc1O)c1cnn(C)c1	839613366	VRBNJUQQNUCMNL-NSHDSACASA-N	273.336	1.936	10	20	CDCD	
COCC(=O)N(CC(=O)O)Cc1cc(Cl)ccc1O	911352700	AMAGMACBQGLEML-UHFFFAOYSA-N	287.699	1.105	10	20	CDCD	
Cc1ccc([C@@H](O)CNCc2cc3c(cc2O)OCO3)o1	741262824	WVYIRRZOFIBJMD-LBPRGKRZSA-N	291.303	1.846	10	20	CDCD	
Cc1ccc(C(=O)N2CCC[C@H](CO)[C@H]2C)c(O)c1O	840555547	AGTQOLAVHJUNOU-GHMZBOCLSA-N	279.336	1.639	10	20	CDCD	
C[C@H](CN)CNCc1ccc(N2CCN(C)CC2)cc1	841047776	CTJUPXGXTOXQNC-CQSZACIVSA-N	276.428	1.123	10	20	CDCD	
Cc1cc(O)c(CNC[C@@H]2CNCCO2)cc1C	841098125	CRRJOUKIOQTUII-ZDUSSCGKSA-N	250.342	1.087	10	20	CDCD	
Nc1ccc(CCNC(=O)NCC2CCOCC2)cc1	841768975	WPVMOZSCIZIFJC-UHFFFAOYSA-N	277.368	1.537	10	20	CDCD	
Nc1ccc(CCNC(=O)NCCC2CCNCC2)cc1	846175444	ZJGCGVKAQZIYCX-UHFFFAOYSA-N	290.411	1.500	10	20	CDCD	
NC[C@H]1CN(Cc2cccc(F)c2O)CC12CCOCC2	843124407	AJLNRKVBUNQHLY-ZDUSSCGKSA-N	294.370	1.719	10	20	CDCD	
C[C@H](NC(=O)NCc1ccc2c(c1)CCCN2C)[C@@H](C)N	841758884	KUJCNJKTBALROG-NEPJUHHUSA-N	290.411	1.604	10	20	CDCD	
COc1ccc(N2CCC(NCC(F)(F)CN)CC2)cc1	841060547	ZTXDKIUMLRTSNY-UHFFFAOYSA-N	299.365	1.848	10	20	CDCD	
CCOc1ccc(O)c(CNCCO[C@H]2CCOC2)c1	922939092	LGGGJPVLCSIKNY-AWEZNQCLSA-N	281.352	1.686	10	20	CDCD	
COCC[C@@H](C)NC(=O)NCc1cc(C)ccc1O	858170741	JNIKSNXLCMCSMO-LLVKDONJSA-N	266.341	1.925	10	20	CDCD	
COC[C@@H]1CCN(Cc2cc3c(cc2O)OC[C@@H]3O)C1	768446219	LCXPKFKSIRWELT-YGRLFVJLSA-N	279.336	1.286	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)NCCC2CC(O)C2)c1	762652220	XDMJBTHPDDHTCU-ZBOXLXRLSA-N	293.363	1.990	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@]2(F)CCOC2)cc1F	1117666203	SNTTWSAEIFYJHT-CQSZACIVSA-N	284.306	1.637	10	20	CDCD	
Cc1ccc(CN2CCC[C@@H](N3CCNC3=O)C2)c(O)c1	876624460	FKQGDYBTHPJECJ-CQSZACIVSA-N	289.379	1.690	10	20	CDCD	
CCOCCONC(=O)NCc1cc(OC)ccc1O	776144349	LWOPZIVDTDGRHD-UHFFFAOYSA-N	284.312	1.168	10	20	CDCD	
COc1cccc(CN2CCN(C)[C@H](C)[C@H]2C)c1O	775983100	BBZBYQPOLZVXJF-VXGBXAGGSA-N	264.369	1.925	10	20	CDCD	
Cc1ccc(CN(C)[C@H](CO)COC(C)C)c(O)c1	877531489	NXXJHRUGVYLXPD-CQSZACIVSA-N	267.369	1.918	10	20	CDCD	
COCCO[C@@H]1COCC[C@@H]1NCc1cc(F)ccc1O	777219958	OKQSCXRECSWQDR-DZGCQCFKSA-N	299.342	1.441	10	20	CDCD	
CN1CCN(c2ccc(CNc3nncs3)cc2)CC1	777507560	UHRKZNUNZPKMFY-UHFFFAOYSA-N	289.408	1.902	10	20	CDCD	
Cn1cccc1C(=O)N1CCN(Cc2ccccc2O)CC1	778995234	TXCKDGFKIAKAGV-UHFFFAOYSA-N	299.374	1.689	10	20	CDCD	
Cc1ccc(C(=O)N2C[C@@H](O)C[C@H]2C)c(O)c1O	788543473	XZDREPOPHAILCI-BDAKNGLRSA-N	251.282	1.002	10	20	CDCD	
CN1CCCc2cc(CNS(=O)(=O)N3CCC3)ccc21	795813930	YHBSSXPLNVGKHA-UHFFFAOYSA-N	295.408	1.109	10	20	CDCD	
CCn1ncnc1CNCc1cc(OC)c(OC)cc1O	793342105	BNXNCMUXBLPCFD-UHFFFAOYSA-N	292.339	1.311	10	20	CDCD	
O=C(Cn1c(=O)oc2ccccc21)NCc1ccccc1O	1318095169	PHRMGZZXNRONJT-UHFFFAOYSA-N	298.298	1.617	10	20	CDCD	
CN1CCC(NC(=O)c2ccc(CN=[N+]=[N-])o2)CC1	1537962271	BQLIPYGLGDLVBX-UHFFFAOYSA-N	263.301	1.914	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NCC2([S@@](C)=O)CC2)c1	282462241	VSDJFGIHMIRNIG-GIGQVBGESA-N	283.393	1.963	10	20	CDCD	
CCc1cccc(CN[C@H]2CCC(=O)N(C)C2=O)c1O	691460405	QZZSCOHVQLNICS-LBPRGKRZSA-N	276.336	1.192	10	20	CDCD	
Cc1csc(NC(=O)CN2CC(N=[N+]=[N-])C2)n1	409424450	VHLVQZILYRNXRP-UHFFFAOYSA-N	252.303	1.385	10	20	CDCD	
Cc1ccc(O)c(CNS(=O)(=O)Cc2cc(C)no2)c1	1329807555	VWABEUFKXUYHBD-UHFFFAOYSA-N	296.348	1.617	10	20	CDCD	
Cc1ccc(O)c2c1[C@H](C)C[C@H]2NC[C@H]1CNCCO1	1331835580	RIBGSHBEUZESPV-JHJVBQTASA-N	276.380	1.827	10	20	CDCD	
CCOC(=O)[C@@H](C)NCc1c(O)cccc1OC	763277299	KINABWJKQORYIQ-SECBINFHSA-N	253.298	1.442	10	20	CDCD	
CC1(CNC(=O)NCc2ccc(N)cc2)CCOCC1	1346649405	ROXZODZOHGFHIG-UHFFFAOYSA-N	277.368	1.885	10	20	CDCD	
Nc1ccc(CNC(=O)N2CCC(F)(F)[C@@H](CO)C2)cc1	1353539577	NCOONHCBSRLZFA-LLVKDONJSA-N	299.321	1.428	10	20	CDCD	
Nc1ccc(NC(=O)NC2(CC(=O)O)CCC2)cc1	1601216718	NXPMJNSXKUZGBD-UHFFFAOYSA-N	263.297	1.788	10	20	CDCD	
CN(C)CC[C@H](NCc1ccc2c(c1)CCCO2)C(=O)O	1777030372	OIOAQSHNYRNUAE-AWEZNQCLSA-N	292.379	1.506	10	20	CDCD	
Cn1ncnc1NCc1ccc(N2CCOCC2)c(F)c1	162185661	OFHQJQKJWGYCJR-UHFFFAOYSA-N	291.330	1.403	10	20	CDCD	
COc1cccc(O)c1CN1CC[C@@]2(CCNC2)C1	843120497	NPSSIEHWXBATSO-OAHLLOKOSA-N	262.353	1.586	10	20	CDCD	
C[C@H](Cc1cnn(C)c1)NC(=O)c1cccc(O)c1O	836980316	QPQUFSZZXXIHEZ-SECBINFHSA-N	275.308	1.192	10	20	CDCD	
COc1cc(Cl)cc(CN[C@@H]2CCCCNC2=O)c1O	228670871	YGHFRAWMUOEYQN-LLVKDONJSA-N	298.770	1.813	10	20	CDCD	
CC(C)(CO)CCNCc1cc2c(cc1O)OCO2	294666764	AOOJBNGAEOFNPJ-UHFFFAOYSA-N	267.325	1.619	10	20	CDCD	
COCC[C@](C)(O)CNCc1cc(OC)ccc1O	182210795	MLZZQODQWBUNEN-AWEZNQCLSA-N	269.341	1.278	10	20	CDCD	
CS(=O)(=O)CCCN[C@@H]1CCc2cccc(O)c21	310759315	AOCZLJDDOAWTMI-LLVKDONJSA-N	269.366	1.404	10	20	CDCD	
Oc1ccc(Br)cc1CN1CC[C@@H]2CNC[C@@H]21	385289833	CAVOFLAGTLTTSK-SKDRFNHKSA-N	297.196	1.948	10	20	CDCD	
COc1ccc(O)c(CNC[C@H](C)CCCO)c1	395038241	CLABPACUHRYLGX-LLVKDONJSA-N	253.342	1.899	10	20	CDCD	
C[C@@H](NC(=O)[C@H]1CC12CCNCC2)c1ccccc1O	870988374	NWDYUSPIFWWTRK-DGCLKSJQSA-N	274.364	1.959	10	20	CDCD	
CNC(=O)[C@H]1CCCN(Cc2cc(C)c(C)cc2O)C1	118963251	FAURFZADOUOJJG-ZDUSSCGKSA-N	276.380	1.967	10	20	CDCD	
CCN(CC)CC(=O)NCc1cccc(OC)c1O	105651068	FFXPFMWZUVMCST-UHFFFAOYSA-N	266.341	1.359	10	20	CDCD	
CC(C)(C)[C@H](NC(=O)c1cccc(O)c1O)C(=O)O	125996660	SGXTYVQOHCKEHZ-SNVBAGLBSA-N	267.281	1.327	10	20	CDCD	
C/C=C/C[C@@H](CO)NCc1cc2c(cc1O)OCO2	185819771	XJVALCGRQLZDPR-VUDBWIFFSA-N	265.309	1.538	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2cc[nH]c(=O)c2)c1	136280040	PFRWOCDMKVMHJZ-UHFFFAOYSA-N	274.276	1.019	10	20	CDCD	
CCNC(=O)N1CCCN(c2ccc(OC)cc2)CC1	48686121	ZVNXEVBTOTXEMV-UHFFFAOYSA-N	277.368	1.937	10	20	CDCD	
Cc1ccc(O)c(CN2CCS(=O)(=O)C[C@H](C)C2)c1	192068002	MFUDXDTWYBXCDN-GFCCVEGCSA-N	283.393	1.567	10	20	CDCD	
C[C@@H]1CCNC(=O)[C@H]1NCc1ccc2c(c1)CCO2	193696440	ZUIVLWCACXULQK-YGRLFVJLSA-N	260.337	1.236	10	20	CDCD	
CCCN(CC(=O)O)Cc1cc(OC)ccc1O	86776086	IJEYZOSVTWJAKU-UHFFFAOYSA-N	253.298	1.697	10	20	CDCD	
CC1(Cn2cc(COc3ccc(N)cc3)nn2)COC1	864627814	LKAYZTDXVDQGNN-UHFFFAOYSA-N	274.324	1.476	10	20	CDCD	
COc1cccc(CNC(=O)NC[C@@H]2CCSC2)c1O	279326016	PTTGLGLAZDFYQD-JTQLQIEISA-N	296.392	1.953	10	20	CDCD	
CCN(CCCO)Cc1cc(OC)c(OC)cc1O	271826989	OAYFDATUNDEYOX-UHFFFAOYSA-N	269.341	1.614	10	20	CDCD	
CCN[C@H](C)C(=O)N1CCOc2cc(N(C)C)ccc21	638132990	POLAPTCNQBSWAL-LLVKDONJSA-N	277.368	1.476	10	20	CDCD	
CN(Cc1ccccc1O)Cc1ncnn1CCF	281688098	RQAASAFAFAJPTO-UHFFFAOYSA-N	264.304	1.585	10	20	CDCD	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CON	708811829	CENSFHNNSYZDDQ-UHFFFAOYSA-N	277.368	1.526	10	20	CDCD	
CC(C)[C@@H](C(=O)NCc1ccccc1O)N1CCCC1=O	299471554	CELKGUZLQJNBJU-HNNXBMFYSA-N	290.363	1.655	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)c1ccnc2c1ncn2C	806499228	DLNGOXNJAWQHAV-UHFFFAOYSA-N	296.330	1.946	10	20	CDCD	
COC(=O)c1cnc(SCc2cnn(C)n2)s1	295347822	QJZOFZSRNWZXGR-UHFFFAOYSA-N	270.339	1.351	10	20	CDCD	
CC(C)N1C[C@@H](N[C@@H]2CCc3cccc(O)c32)CC1=O	296840452	MYAKHTLQNMFXHD-QWHCGFSZSA-N	274.364	1.978	10	20	CDCD	
CCN(Cc1cc(F)cc(C(C)=O)c1O)[C@@H](C)CO	293530504	WXAZPFGEXGESCD-VIFPVBQESA-N	269.316	1.937	10	20	CDCD	
CCCNS(=O)(=O)NCc1ccc(N(CC)CC)cc1	813653361	XYTCHZROUSQICG-UHFFFAOYSA-N	299.440	1.867	10	20	CDCD	
CC[C@@H](N)CN[C@H](C)c1cc([N+](=O)[O-])ccc1O	817981148	ZMBZMQCLSDIOMD-RKDXNWHRSA-N	253.302	1.688	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)[C@H]1CCN1C1CCCC1	821070831	OCARDANOAWFKEQ-CYBMUJFWSA-N	290.363	1.731	10	20	CDCD	
CC[C@@H](NCc1c(O)ccc(Cl)c1F)C(=O)NC	825315513	COWSOOMIDHPCCC-SECBINFHSA-N	274.723	1.799	10	20	CDCD	
CN(Cc1ccccc1O)c1cccc(-c2nn[nH]n2)n1	825981169	PZFYLIITLXLTSH-UHFFFAOYSA-N	282.307	1.604	10	20	CDCD	
CCOc1cccc(CN2CC[C@](CO)(COC)C2)c1O	825158446	LUGHCCGGCXVDIS-INIZCTEOSA-N	295.379	1.622	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)c1cnc(C2CC2)o1	901131050	HILWEGCLANKAHN-UHFFFAOYSA-N	274.276	1.893	10	20	CDCD	
NC(=O)[C@@H]1C[C@@H]1C(=O)NCc1ccc(N2CCCC2)cc1	900187106	AZOMDYXGXJJUOJ-KGLIPLIRSA-N	287.363	1.024	10	20	CDCD	
COC(=O)[C@H]1C[C@H](NCc2cc3c(cc2O)OCO3)C1	827812673	UJMYYJILEJJGMW-CZMCAQCFSA-N	279.292	1.162	10	20	CDCD	
O=C(O)[C@@H]1C[C@H]1C(=O)NCc1c(O)ccc2c1CCCC2	833178322	DYLDXXPDKQCDJI-VXGBXAGGSA-N	289.331	1.608	10	20	CDCD	
Oc1cccc2c1[C@@H](NCc1nnnn1CC1CC1)CC2	834770749	XJGLFFMMZQCSIK-LBPRGKRZSA-N	285.351	1.566	10	20	CDCD	
CCN(C)c1ccc(CN2CC(=O)N[C@@H](C)C2)cc1	831769977	ZYSZINGZRDPADD-LBPRGKRZSA-N	261.369	1.463	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)NC[C@H](C)N(C)C	836623986	WLACEKQHYTUSSU-ZDUSSCGKSA-N	292.427	1.810	10	20	CDCD	
C[C@H]1OCC[C@@H]1C(=O)N(CC(=O)O)Cc1ccccc1O	911483954	HELHWJFRAVYINA-PWSUYJOCSA-N	293.319	1.230	10	20	CDCD	
O=C1CC[C@@H](C(=O)NCCc2ccc(O)c(O)c2)C1	843833134	PICGQPOJKMIGQQ-SNVBAGLBSA-N	263.293	1.126	10	20	CDCD	
CCOc1ccc(O)c(CN(C)CCNC(C)=O)c1	843427094	GZVGEVRKGOXDPJ-UHFFFAOYSA-N	266.341	1.359	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC(=O)O[C@@H]2CCOC2)c1	914153817	LPVIBBJKLCMIKH-MWLCHTKSSA-N	281.308	1.977	10	20	CDCD	
COC[C@](C)(O)C(=O)NCc1cc(Cl)ccc1O	846474781	BJBGLTQWZBJYPL-LBPRGKRZSA-N	273.716	1.059	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NC[C@@H](N)C2CC2)cc1	841653118	HIQSXWFSFCDQPI-CQSZACIVSA-N	276.384	1.289	10	20	CDCD	
COCC[C@@](C)(O)CN[C@H](C)c1cccc(OC)c1O	846147392	UOKIVUFOFSAXAO-IAQYHMDHSA-N	283.368	1.839	10	20	CDCD	
COc1cc(C)cc(CN(C)[C@H]2CCOC2)c1O	754726165	FDGMZYNJSOXWPK-LBPRGKRZSA-N	251.326	1.930	10	20	CDCD	
C[C@@H]1COC[C@@H]1N1C(=O)CN(Cc2ccccc2O)C1=O	925212541	SRGZCZDXKAQFJW-PWSUYJOCSA-N	290.319	1.191	10	20	CDCD	
CO[C@@]1(C(=O)O)CCN(Cc2ccc(N(C)C)c(C)c2)C1	863475616	VODMXWMXVTXDJF-INIZCTEOSA-N	292.379	1.737	10	20	CDCD	
COc1cccc(O)c1CN1CCC[C@H](CCO)C1	769333973	MAZQDKHPMCQJTF-GFCCVEGCSA-N	265.353	1.995	10	20	CDCD	
Cc1ccncc1N(C)C(=O)/C=C\c1cnn(C)c1	766829226	DDTOSFYVVYPYGB-PLNGDYQASA-N	256.309	1.800	10	20	CDCD	
COc1cccc(O)c1CN(C)CCc1cnccn1	761213282	HJQGYILLOKLZOE-UHFFFAOYSA-N	273.336	1.865	10	20	CDCD	
COCC(=O)NC1CCN(Cc2ccccc2O)CC1	778999812	KUNGOKARQRDGTD-UHFFFAOYSA-N	278.352	1.119	10	20	CDCD	
O=C(NCc1ccc(O)c(O)c1)c1cnc2ccccn12	778916695	OLZVEEBGODBHMR-UHFFFAOYSA-N	283.287	1.676	10	20	CDCD	
COCCN(C)C(=N)NCc1cc(Cl)ccc1O	871607850	KAPGINNRIHQUBW-UHFFFAOYSA-N	271.748	1.648	10	20	CDCD	
C[C@H]1CCN(Cc2ccc(N(C)C)c(F)c2)[C@@H](C(N)=O)C1	779203386	BXYAXDVKFRSLKA-XHDPSFHLSA-N	293.386	1.978	10	20	CDCD	
COc1ccccc1[C@H](CO)NC(=O)c1cc(O)cs1	778513255	ZCFNPPQDNGUHPB-NSHDSACASA-N	293.344	1.926	10	20	CDCD	
O=C(O)C[C@@H](NCc1ccc2c(c1)CCCO2)C(=O)O	1120002543	WIYBTDVNYUQSNJ-LLVKDONJSA-N	279.292	1.029	10	20	CDCD	
CC[C@H]1C(=O)NCCN1Cc1ccc(N(C)CC)cc1	773752629	IOJXZSDWLGEBLE-HNNXBMFYSA-N	275.396	1.853	10	20	CDCD	
Oc1ccccc1CN1CCC2(CC1)C[C@H](O)CCO2	897261083	BGVVWCSUEVWJLY-CQSZACIVSA-N	277.364	1.898	10	20	CDCD	
COc1cc(C)cc(CNCCN2CCCC2=O)c1O	895147288	RBOSSGQBSCYDOI-UHFFFAOYSA-N	278.352	1.421	10	20	CDCD	
COC(=O)[C@@H]1CC[C@H](NCc2c(O)cccc2OC)C1	896124651	GXWAZHQSWVKULT-MNOVXSKESA-N	279.336	1.832	10	20	CDCD	
CN1C[C@H](N(C)Cc2cc(F)cc(F)c2O)CCC1=O	895387839	DZEIXXREYKUPQL-LLVKDONJSA-N	284.306	1.723	10	20	CDCD	
CCN1CCN(C(=O)c2ccc(CN=[N+]=[N-])o2)CC1	1537962895	IBNGQFLDBAMVDC-UHFFFAOYSA-N	263.301	1.868	10	20	CDCD	
CN(C)c1cc(F)c(CNCC(=O)NCC2CC2)cc1F	1328920000	CSFXXOQTHNUWJW-UHFFFAOYSA-N	297.349	1.647	10	20	CDCD	
COc1ccc2c(c1)CCCN2C[C@@H]1CN(C)C(=O)O1	1324258162	IFGDLAWAJHBWFX-ZDUSSCGKSA-N	276.336	1.898	10	20	CDCD	
CNC[C@@H](C)CNC(=O)NCc1ccc(N(C)C)c(F)c1	1328713533	LEGFOEBQMBNEGU-LLVKDONJSA-N	296.390	1.546	10	20	CDCD	
Cc1ccc(O)c(CN2CCC(OCC(N)=O)CC2)c1	1324746010	JQDBFKUEDAOEKW-UHFFFAOYSA-N	278.352	1.167	10	20	CDCD	
C[C@H](CS(C)(=O)=O)NCc1ccc2c(c1)CCCN2C	81901613	WJXAUZNSWVLDRW-GFCCVEGCSA-N	296.436	1.592	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@@H]1CC12CCNCC2	70254399	CGGBPSDMWPWCIO-ZDUSSCGKSA-N	274.364	1.740	10	20	CDCD	
COc1cc(O)c(CN[C@@H]2CCC[C@@H]2C(=O)O)cc1OC	1335285304	MLJCUZVEYVQWFU-WDEREUQCSA-N	295.335	1.752	10	20	CDCD	
O=C(O)C1=NO[C@]2(CCN(Cc3ccccc3O)C2)C1	1608589414	PEGLRQGIHLQQQK-CQSZACIVSA-N	276.292	1.198	10	20	CDCD	
CON(C)C(=O)[C@H](C)N[C@@H](C)c1cc(C(=O)O)ccc1O	1599315108	MNLZJJMQVZWLBY-IUCAKERBSA-N	296.323	1.149	10	20	CDCD	
CCN1CCc2cc(CN[C@](C)(COC)C(=O)O)ccc21	1776884626	ANUHDTCGBGMMBN-MRXNPFEDSA-N	292.379	1.648	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2cnccn2)cc1	18215109	LPLLIPNYFAMPAR-UHFFFAOYSA-N	256.309	1.473	10	20	CDCD	
CCN1CCN(C(=O)c2cccc(O)c2O)C[C@H]1C	126413495	UZQBPEFGUZVALR-SNVBAGLBSA-N	264.325	1.264	10	20	CDCD	
C[C@@H](Cn1cccn1)NCc1cc2c(cc1O)OCO2	42880079	DXPYSSNJECRAGV-JTQLQIEISA-N	275.308	1.496	10	20	CDCD	
CC[C@H]1CO[C@@H](C)CN1C(=O)Cc1ccc(N)cc1	36794529	KHLZQPBUQHUNJP-FZMZJTMJSA-N	262.353	1.837	10	20	CDCD	
C[C@@H](NCC(=O)NCC(F)F)c1ccc(N(C)C)cc1	275048917	ZOYGXAWSBUFYFB-SNVBAGLBSA-N	285.338	1.785	10	20	CDCD	
C[C@@H]1[C@H](NCc2ccc(N(C)C)cc2)CCS1(=O)=O	389099820	IKLLQPSOSWPNBK-BXUZGUMPSA-N	282.409	1.418	10	20	CDCD	
C[C@H](CC[S@](C)=O)NCc1ccc2c(c1)CCO2	122754154	FPOOSGTWBWQBEB-ADLMAVQZSA-N	267.394	1.868	10	20	CDCD	
COCCS(=O)(=O)NCc1ccc(N2CCCC2)cc1	170661463	HXYHTZKAGPDWCT-UHFFFAOYSA-N	298.408	1.353	10	20	CDCD	
Cc1ccc(C(=O)N[C@H](CO)CC(C)(C)C)c(O)c1O	182856545	DPBWWQYGZKHQEG-JTQLQIEISA-N	281.352	1.933	10	20	CDCD	
COC[C@H](O)CN[C@@H](C)c1cc(OC)ccc1O	71264711	KRWZMSONFIPEKQ-VHSXEESVSA-N	255.314	1.059	10	20	CDCD	
N#Cc1cc(C(=O)NCCc2ccc(O)c(O)c2)c[nH]1	181297681	HTSVLZPJFWPOJG-UHFFFAOYSA-N	271.276	1.270	10	20	CDCD	
CC[C@@H](COC)NC(=O)c1ccc(C)c(O)c1O	182485298	JGZQAYDLMIAMMU-VIFPVBQESA-N	253.298	1.561	10	20	CDCD	
O=C(NCCc1cn2ccccc2n1)c1cccc(O)c1O	186840123	XCCPXJSVXYYDDC-UHFFFAOYSA-N	297.314	1.718	10	20	CDCD	
CCOc1ccc(N2CCN(CC(=O)O)CC2)cc1	49855606	ROAZKCPXVMFZAQ-UHFFFAOYSA-N	264.325	1.292	10	20	CDCD	
CCN(C)C(=O)CN[C@@H](C)c1cc(F)ccc1O	186811784	FFDVKASIQJMROV-VIFPVBQESA-N	254.305	1.660	10	20	CDCD	
CCCCN(C)S(=O)(=O)NCc1ccc(N(C)C)cc1	46798029	PQQQTDOHLTZBJL-UHFFFAOYSA-N	299.440	1.819	10	20	CDCD	
CCN(CC)C(=O)CSc1ncc(C(=O)O)s1	383380468	FKZRSDBGZBFVAL-UHFFFAOYSA-N	274.367	1.802	10	20	CDCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccon1	193968091	JRUCMHBHVDOPBJ-QMMMGPOBSA-N	277.280	1.839	10	20	CDCD	
CN(C(=O)CCOCC(F)F)c1ccc(N)cc1	232323230	WZCZSEUEIATYLB-UHFFFAOYSA-N	258.268	1.903	10	20	CDCD	
CC(=O)N1CCC[C@H](C(=O)N(C)Cc2ccccc2O)C1	193945161	ADVVXWQLSODHMB-AWEZNQCLSA-N	290.363	1.609	10	20	CDCD	
COc1ccc(O)c(CN2CC[C@](C)(CN)C2)c1	386444508	QKSUJMXRWXIXSW-CQSZACIVSA-N	250.342	1.572	10	20	CDCD	
CCN(CCOCCO)Cc1ccc(N(C)C)cc1	265819205	KORVYFMEAHRESD-UHFFFAOYSA-N	266.385	1.583	10	20	CDCD	
CCCC[C@@H](NC(=O)c1ccc(C)c(O)c1O)C(=O)OC	273922899	DPDSJIYZLBCJDF-LLVKDONJSA-N	295.335	1.868	10	20	CDCD	
COc1cc(O)c(CN2CCCOCC2)cc1OC	362380616	OLZDSCZCLZNLEJ-UHFFFAOYSA-N	267.325	1.632	10	20	CDCD	
COc1cc(N(C)CC2OCCO2)cc(OC)c1OC	272252039	LBGADOOMAPBTIZ-UHFFFAOYSA-N	283.324	1.522	10	20	CDCD	
O=C(/C=C/c1cncs1)N1CCCc2n[nH]cc21	282243951	JENDZKQUHYVOFC-ONEGZZNKSA-N	260.322	1.859	10	20	CDCD	
COC(=O)c1cnc(SCCc2cn[nH]c2)s1	298260744	OHIBKFAAKOBGGA-UHFFFAOYSA-N	269.351	1.988	10	20	CDCD	
CC[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C(C)(C)O	818584736	WNXWUBHMWHKIML-STMXVASLSA-N	279.336	1.777	10	20	CDCD	
O=C(c1cccc(O)c1O)N1C[C@H](CO)c2ccccc21	817782762	NSQCVRFVDYPHNP-SNVBAGLBSA-N	285.299	1.834	10	20	CDCD	
CCCCOC(=O)COC(=O)c1ccc(C)c(O)c1O	727005233	LGIPDGUSTSGTLY-UHFFFAOYSA-N	282.292	1.906	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)[C@@]2(C)CCNC2)c1	828666194	BOVFGMVJAZILBK-BONVTDFDSA-N	278.352	1.578	10	20	CDCD	
C[C@H](NC(=O)[C@@H](C)N(C)C)c1ccc(N(C)C)cc1	822081511	DXJPZPDBNMRJFK-NWDGAFQWSA-N	263.385	1.880	10	20	CDCD	
N[C@H](CC(F)F)C(=O)NCc1ccc(N2CCCC2)cc1	827004331	FNXUSCQMJOMQML-CYBMUJFWSA-N	297.349	1.886	10	20	CDCD	
Cc1cc(O)c(CNC[C@]2(O)CCO[C@@H]2C)cc1Cl	825731148	DANCZWAWPZHDBQ-QMTHXVAHSA-N	285.771	1.984	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NCc2ccncn2)cc1	837379549	ILZPOFYNBMSTCO-UHFFFAOYSA-N	285.351	1.542	10	20	CDCD	
CC[C@@H](N[C@@H]1COC[C@H]1O)c1cc(Cl)ccc1O	834895994	GPLTYXMDERFQPJ-NQBHXWOUSA-N	271.744	1.846	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)CCC(N)=O	906426826	AVPWNAPCOVVJOU-UHFFFAOYSA-N	277.368	1.367	10	20	CDCD	
CCN(C)c1ccc(CN(C)C(C)(C)C(N)=O)cc1	830307845	WJGBZZYAIYVLKW-UHFFFAOYSA-N	263.385	1.838	10	20	CDCD	
COc1ccc(CNC(=O)[C@@H](C)c2cnccn2)c(O)c1	907925072	CDNJODQHIVURTB-JTQLQIEISA-N	287.319	1.611	10	20	CDCD	
CC(C)C[C@@H](C(N)=O)C(=O)NCc1ccccc1O	839612043	MQDDQBIYCOTPRU-NSHDSACASA-N	264.325	1.156	10	20	CDCD	
CN(C)c1ccc([C@@H](N)CNCc2cccnc2)cc1	841043956	RTFGAKWEGRTKSG-INIZCTEOSA-N	270.380	1.937	10	20	CDCD	
CCN1C(=O)C(C)(C)N[C@H]1c1cc([N+](=O)[O-])ccc1O	840830808	BAMNVDHDFOMZMD-LLVKDONJSA-N	279.296	1.529	10	20	CDCD	
COCCN(CCC(=O)O)Cc1ccc(N(C)C)cc1	846271614	LUZDKFUPDFMAQA-UHFFFAOYSA-N	280.368	1.676	10	20	CDCD	
COC(=O)[C@H]1C[C@H](O)CN(Cc2c(O)cccc2Cl)C1	843434891	OAMACYLRVUEDQS-UWVGGRQHSA-N	299.754	1.401	10	20	CDCD	
C[C@H](CCN)NC(=O)N(C)Cc1ccc(N(C)C)cc1	841966285	BECXHLKQPQUSMX-GFCCVEGCSA-N	278.400	1.631	10	20	CDCD	
C[C@@H]1[C@@H](CO)CCCN1C(=O)/C=C\c1ccc(O)c(O)c1	840557729	GSFAWWMCTOWRKN-HHQZKXIDSA-N	291.347	1.730	10	20	CDCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)N[C@@H](C)CC(N)=O	840892559	AXWWRZSLJPJUBM-OLZOCXBDSA-N	277.412	1.846	10	20	CDCD	
Nc1ccc(CCNC(=O)NCCC[C@@H]2CCCN2)cc1	841955842	PLXJIQTUQMNFPX-HNNXBMFYSA-N	290.411	1.643	10	20	CDCD	
CCc1cccc(CN[C@@H]2C(=O)NCC[C@@H]2C)c1O	848909679	ZIWBKSJIWOKAHD-GWCFXTLKSA-N	262.353	1.569	10	20	CDCD	
CCN(CC)c1ccc(CN(C)C[C@H](O)CN)cc1F	841091860	HULVOGRJUNDWOZ-CYBMUJFWSA-N	283.391	1.423	10	20	CDCD	
C[C@@H]1C[C@@H](NCCOCCO)c2c(O)ccc(F)c21	756360800	DZJQJJDRAAUMPI-MWLCHTKSSA-N	269.316	1.678	10	20	CDCD	
CN(CC1=CCCOC1)Cc1cc2c(cc1O)OC[C@@H]2O	853562310	KFQCIOFPTRADTR-HNNXBMFYSA-N	291.347	1.597	10	20	CDCD	
O=C(N[C@@H]1CCn2cncc2C1)c1c(F)ccc(O)c1O	857962116	IUFAHWPFJRXJIP-MRVPVSSYSA-N	291.282	1.178	10	20	CDCD	
CC[C@@H](N[C@@H]1COC[C@@H]1O)c1ccc(F)cc1O	866419975	KSVJAMYMWURCTM-WZRBSPASSA-N	255.289	1.332	10	20	CDCD	
CN(CC1(C)COC1)C(=O)c1c(F)ccc(O)c1O	863937315	PUFVGNNIJQOXER-UHFFFAOYSA-N	269.272	1.345	10	20	CDCD	
COCCOC[C@@H](C)NC(=O)N[C@H](C)c1ccccc1O	868379006	HYBCVRQPTFRLMD-VXGBXAGGSA-N	296.367	1.804	10	20	CDCD	
COC(=O)[C@@H]1C[C@H](OC)CCN1Cc1ccc(C)cc1O	877165845	ROWLXCLNPJEOMP-KGLIPLIRSA-N	293.363	1.853	10	20	CDCD	
C/C=C/C(=O)N1CCN(c2ccc(OC)cc2OC)CC1	870163435	XYHXEEXENXFNJW-SNAWJCMRSA-N	290.363	1.929	10	20	CDCD	
O=[N+]([O-])c1cnn(CCNCc2cc(F)cc(F)c2O)c1	883051007	JPIDCNOECDNNIQ-UHFFFAOYSA-N	298.249	1.565	10	20	CDCD	
O=C(COC(=O)[C@@H]1CCCS1)c1ccc(O)c(O)c1	783951447	SWOYAJYRQGZYDF-LBPRGKRZSA-N	282.317	1.719	10	20	CDCD	
COc1cc(C)cc(CN2CC3(CCOC3)C2)c1O	894868297	QGDHQCVHKSJXAN-UHFFFAOYSA-N	263.337	1.932	10	20	CDCD	
CC(C)S(=O)(=O)CCNCc1ccc2c(c1)CCCO2	894527245	VRDNNPNVOIOMKZ-UHFFFAOYSA-N	297.420	1.924	10	20	CDCD	
CNC(=O)c1c(NC(=O)c2cc(O)cs2)n[nH]c1C	799105486	ZJOGTAOVRHIWMF-UHFFFAOYSA-N	280.309	1.097	10	20	CDCD	
CCOc1cccc(CNCC(=O)NCC(C)C)c1O	134637969	LVOXBSBXZOPKBP-UHFFFAOYSA-N	280.368	1.653	10	20	CDCD	
COc1ccc(O)c([C@@H](C)N[C@H]2C[C@@H](CO)C2)c1	707704888	WGGLFRIICYBWBK-MXWKQRLJSA-N	251.326	1.822	10	20	CDCD	
CN[C@@H](C)CCNC(=O)NCCc1ccc(N)cc1	1328724744	KLXNCKQPTCJHJZ-NSHDSACASA-N	264.373	1.109	10	20	CDCD	
Nc1ccc(CC(=O)N2CCCC[C@H]2CC(=O)O)cc1	694457306	UACXVKJNTDVERZ-ZDUSSCGKSA-N	276.336	1.667	10	20	CDCD	
C[C@H]1C[C@H](NC(=O)N[C@H](C)c2ccccc2O)C(=O)O1	1333808276	GRAFBULPPARRLL-NGZCFLSTSA-N	278.308	1.456	10	20	CDCD	
COC(=O)N1CC(C)(NC(=O)c2cc(O)cs2)C1	1336105902	DWEGLQUVNBMTTA-UHFFFAOYSA-N	270.310	1.024	10	20	CDCD	
CS(=O)(=O)CCCCSc1ncc(C(=O)O)s1	1599750896	QHSKKLYVMMVKRM-UHFFFAOYSA-N	295.407	1.758	10	20	CDCD	
C[C@H](N)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1	157311615	OTJPBFAIXCMAKA-AAEUAGOBSA-N	278.352	1.247	10	20	CDCD	
COC(=O)C1CCN(Cc2cccc(OC)c2O)CC1	159219262	MHBGHDFMLOHEEM-UHFFFAOYSA-N	279.336	1.786	10	20	CDCD	
COc1ccc(CNCc2cn(C)nc2C)c(O)c1	168691848	ZOURHOSYYHSQRU-UHFFFAOYSA-N	261.325	1.733	10	20	CDCD	
CC[C@H](NC[C@]1(O)CCO[C@H]1C)c1ccccc1O	278700566	HIVLFSLCHTXTNZ-CORIIIEPSA-N	265.353	1.973	10	20	CDCD	
COC[C@@]1(C)CCN(Cc2cc3c(cc2O)OCO3)C1	294113379	CZQDCFSUFPYJTP-HNNXBMFYSA-N	279.336	1.979	10	20	CDCD	
CCOc1cccc(CN[C@H](C)C(=O)N(C)CC)c1O	188482922	XVSYMIAAOHTXQO-LLVKDONJSA-N	280.368	1.747	10	20	CDCD	
C[C@H](C[S@@](C)=O)NCc1cc(F)cc(F)c1O	708494379	HRYCXVOHZHBIAY-IWEMQMMOSA-N	263.309	1.527	10	20	CDCD	
C[C@@H](NCCCn1cncn1)c1ccc(F)cc1O	381743250	ZUJBMZYHTDXGMB-SNVBAGLBSA-N	264.304	1.864	10	20	CDCD	
CCN1C[C@H](N[C@H](C)c2cc(OC)ccc2O)CC1=O	391544660	PNNJKZRFNJSOJB-GHMZBOCLSA-N	278.352	1.672	10	20	CDCD	
C[C@H](NCc1ncn(C)n1)c1cc(F)ccc1O	186214777	UPPHWWADGWCSTJ-QMMMGPOBSA-N	250.277	1.511	10	20	CDCD	
CN(CC(=O)NC[C@@H]1CCCO1)c1ccc2c(c1)OCO2	121279695	RUQWNTPLNUTMSM-LBPRGKRZSA-N	292.335	1.147	10	20	CDCD	
C[C@H]1CN(Cc2cc(F)ccc2O)C[C@H](CO)O1	191528119	ZKWDGRYFFMKPII-JOYOIKCWSA-N	255.289	1.113	10	20	CDCD	
CN1CCCc2cc(CNC(=O)[C@@H]3CCCCN3)ccc21	237128663	SXWKEYYQZFPCSX-HNNXBMFYSA-N	287.407	1.827	10	20	CDCD	
COC(=O)[C@H](C)CN(C)Cc1cccc(OC)c1O	91986615	DOMKLDNAZRUVPZ-SNVBAGLBSA-N	267.325	1.642	10	20	CDCD	
Cn1cc(CCCNC(=O)NCc2ccccc2O)cn1	263914851	NJOKECALEFRVRD-UHFFFAOYSA-N	288.351	1.558	10	20	CDCD	
CN(CCNC(=O)c1cccc(O)c1O)CC(F)(F)F	279287381	MAKVRXRQEMKETQ-UHFFFAOYSA-N	292.257	1.322	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)NC2CCN(C)CC2)c1	273393087	LFHUHWYVSZOBIT-NSHDSACASA-N	292.379	1.924	10	20	CDCD	
COc1cccc(CNC[C@H]2CCCN(C(C)=O)C2)c1O	279803478	NSOJYRDIJNQJJJ-CYBMUJFWSA-N	292.379	1.749	10	20	CDCD	
C[C@H](C[S@](C)=O)N(C)C(=O)/C=C/c1ccc(O)c(O)c1	274322067	AUJGQQJWKOADPH-CYJGPZIVSA-N	297.376	1.336	10	20	CDCD	
CC[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(OC)c2O)CCO1	278284093	UAKXBSRUOGQHBV-LLVKDONJSA-N	296.323	1.920	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)NCC(C)(C)N)c1	817959943	IBEVZPDGMJYLLT-SECBINFHSA-N	266.341	1.567	10	20	CDCD	
CC(C)[C@H](NC(=O)O)C(=O)NCc1ccc(O)c(O)c1	827084493	WDOAUUHGCPUCIW-NSHDSACASA-N	282.296	1.006	10	20	CDCD	
CCN(CC[S@](C)=O)c1ccc(OC)c(OC)c1	828162781	NULRCZFBRXGVRF-SFHVURJKSA-N	271.382	1.909	10	20	CDCD	
CNCCCC(=O)N[C@@H](C)c1cc(OC)ccc1O	828666884	JNWNPEUEYSFQPD-JTQLQIEISA-N	266.341	1.578	10	20	CDCD	
C[C@H]1CN(C(=O)c2cc(O)cs2)C[C@@H]1C(=O)O	828384585	ATYGXHYPNRWCSI-XPUUQOCRSA-N	255.295	1.246	10	20	CDCD	
CN1CCCc2cc(CNC(=O)CCCCN)ccc21	827913970	UJKYIMNGCIHTHD-UHFFFAOYSA-N	275.396	1.814	10	20	CDCD	
C[C@@H](NC(=O)Nc1ncn(C)n1)c1ccc(N(C)C)cc1	836670212	URGNPRLLDVTRQP-SNVBAGLBSA-N	288.355	1.764	10	20	CDCD	
CN(C)c1ccc([C@H](N)CNC(=O)c2ccncc2)cc1	832285220	PUIWOGRFLBNGOG-OAHLLOKOSA-N	284.363	1.577	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NC[C@@H]2CCN2C)cc1F	915365475	GDLZMTLITMDHFX-LBPRGKRZSA-N	294.374	1.395	10	20	CDCD	
COCCN(C)S(=O)(=O)Nc1ccc(O)cc1Cl	849308129	GGERYGNKOIBIHN-UHFFFAOYSA-N	294.760	1.281	10	20	CDCD	
CN(C)c1ccc(CNC(=O)[C@@H]2CCc3cncn3C2)cc1	844129935	VSXDRYAEZWYCBL-CQSZACIVSA-N	298.390	1.828	10	20	CDCD	
C[C@H]1C[C@@H](NC(=O)NCc2ccccc2O)CCN1C	745789834	QOLUOUHVCGKPDW-AAEUAGOBSA-N	277.368	1.674	10	20	CDCD	
COc1cccc([C@H](C)NCC2(O)CCC2)c1O	846147796	WKNHUQJYIDECRA-JTQLQIEISA-N	251.326	1.966	10	20	CDCD	
COC(=O)CN(CCCN)Cc1cc(Cl)ccc1O	841006288	KAQYLMYDMMBGES-UHFFFAOYSA-N	286.759	1.369	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)OCCn1cccn1	759590835	YAWGPPHGHLOXKA-HWKANZROSA-N	274.276	1.551	10	20	CDCD	
O=[N+]([O-])c1ccc(O)c(CN[C@@H](CCO)C(F)(F)F)c1	852082935	YFQKMKBEBUQMGX-JTQLQIEISA-N	294.229	1.703	10	20	CDCD	
CN(C)c1ccc([C@H](N)CNC(=O)CCCF)cc1	852792657	ZCPMJCYGLHHUNR-CYBMUJFWSA-N	267.348	1.618	10	20	CDCD	
CC(=O)c1cc(Cl)cc(CN2C[C@@H]3CNC[C@H]3C2)c1O	750040183	UHCJVRNVLMZAID-RYUDHWBXSA-N	294.782	1.899	10	20	CDCD	
C[C@H](NC(=O)NC/C=C/CO)c1ccc(N(C)C)cc1	854002634	CBOBZSPDMVEMFY-ITKZLYELSA-N	277.368	1.661	10	20	CDCD	
CN1C[C@@H](NCc2cccc(Cl)c2O)CC1=O	271914838	YODZNMINTJCBRT-VIFPVBQESA-N	254.717	1.366	10	20	CDCD	
COc1cc(O)c(/C=C2\SC(=S)NC2=O)cc1OC	768270001	UPZCRRRFMFXGAA-WMZJFQQLSA-N	297.357	1.898	10	20	CDCD	
C[C@@H](N)CN(C)C(=O)NCc1ccc(N(C)C)cc1	861549090	FSPSAPPOOQOMJS-LLVKDONJSA-N	264.373	1.241	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)NCC(F)(F)CO)c1	768286743	NVVAATKQALWUTH-QMMMGPOBSA-N	289.278	1.457	10	20	CDCD	
C[C@H](NC(=O)N[C@H](C)c1ccccc1O)c1nncn1C	864423253	CGWPWBLJTGAOKB-ZJUUUORDSA-N	289.339	1.642	10	20	CDCD	
CCOc1ccc(CN2CCNC(=O)C2(C)C)c(O)c1	769332163	KFIRDFXXWJSKCO-UHFFFAOYSA-N	278.352	1.501	10	20	CDCD	
CC[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)C[C@@H]1O	770378189	DYVOBNCZYBTFQE-WBVHZDCISA-N	290.407	1.726	10	20	CDCD	
O=C(COC(=O)[C@@H]1CCCO1)c1ccc(O)c(O)c1	784444680	KSBBCVWFHHCXFO-LBPRGKRZSA-N	266.249	1.003	10	20	CDCD	
C[C@@H](C(=O)OCC(=O)c1ccc(O)c(O)c1)C1CC1	783982629	VZRAEJKVXHZNLM-MRVPVSSYSA-N	264.277	1.870	10	20	CDCD	
COc1cc(C)cc(CNCCCNC(=O)C(C)C)c1O	894360822	AUEMBNPOOPSYJR-UHFFFAOYSA-N	294.395	1.961	10	20	CDCD	
Cc1ccc(C(=O)NCC[C@H](O)C2CC2)c(O)c1O	890723120	TVKVEHTVUQYMIR-NSHDSACASA-N	265.309	1.297	10	20	CDCD	
COc1ccc(CN2CCC[C@@H](O)C2)c(O)c1OC	891451727	RYYALPIHWJQONL-LLVKDONJSA-N	267.325	1.366	10	20	CDCD	
COc1ccc(CNC(=O)COc2cc(C)on2)c(O)c1	794376966	DPSHNSYJYPNVRP-UHFFFAOYSA-N	292.291	1.392	10	20	CDCD	
C[C@@H]1CN(Cc2cc(F)ccc2O)C[C@@H](C)S1=O	792192726	PODZMFQBZYLVLQ-NXEZZACHSA-N	271.357	1.873	10	20	CDCD	
Nc1ccc(CC(=O)N[C@@H]2C[C@@H](N)C23CCC3)cc1	1514645990	PBFSXRBFIBEEJK-CHWSQXEVSA-N	259.353	1.197	10	20	CDCD	
OCCCCCNCc1ccc(N2CCC(O)CC2)cc1	76275575	FZPFGBWUGLDITH-UHFFFAOYSA-N	292.423	1.900	10	20	CDCD	
CO[C@H](CNCc1cc2c(cc1O)OCO2)C(F)(F)F	733329182	OVKJNMZHDPBSHA-LLVKDONJSA-N	293.241	1.788	10	20	CDCD	
Cn1cnc(CNCc2cc(F)cc(F)c2O)n1	708536260	XFYQGIRUNJNSQJ-UHFFFAOYSA-N	254.240	1.089	10	20	CDCD	
CCOc1cc(C(=O)NCc2cccc(OC)c2O)[nH]n1	1329199424	IGRHTIYZEUZPMS-UHFFFAOYSA-N	291.307	1.453	10	20	CDCD	
CNC[C@H](C)CNC(=O)N[C@H](C)c1ccccc1O	1337942293	ILIVTADQVDKBEH-WDEREUQCSA-N	265.357	1.608	10	20	CDCD	
CCN(C)c1ccc(Cn2cc(C[C@H](C)O)nn2)cc1	1333537320	PACPTALYJBWCHP-LBPRGKRZSA-N	274.368	1.706	10	20	CDCD	
COc1ccc(CNC2(CN(C)C)CCC2)c(O)c1OC	1333763579	VLUQNSBLHVHHGI-UHFFFAOYSA-N	294.395	1.983	10	20	CDCD	
Cc1nc([C@H](C)NC(=O)c2c(F)ccc(O)c2O)no1	1261260315	JVRAMPJMACDKQW-YFKPBYRVSA-N	281.243	1.419	10	20	CDCD	
O=C(NCc1c(O)cccc1F)[C@@H]1C[C@H]1C1CCNCC1	1342614658	VTDWLIGOHLJUON-NWDGAFQWSA-N	292.354	1.783	10	20	CDCD	
C[C@H]1CC[C@@H](C)N1CC(=O)NCc1ccc(N)cc1	1342023971	YPIOPKYWDDEKEX-TXEJJXNPSA-N	261.369	1.758	10	20	CDCD	
O=C(O)[C@@H](C[C@H]1CCCO1)NCc1cccc(F)c1O	1601640182	AGKGUQWQMXBHDV-ZYHUDNBSSA-N	283.299	1.643	10	20	CDCD	
CCN(C)C(=O)[C@H](C)N[C@@H](C)c1cc(C(=O)O)ccc1O	1605406477	ZMTUJYQKAOYMQU-UWVGGRQHSA-N	294.351	1.608	10	20	CDCD	
Cc1cc(C(=O)N2CC(C(N)=O)C2)c(C)n1-c1ccccc1	1548743806	ZHLZXLSKYBPFEH-UHFFFAOYSA-N	297.358	1.651	10	20	CDCD	
CC(C)[C@@H](CO)N[C@H](C)c1cc(C(=O)O)ccc1O	1593354618	VBKDVFXVOYNFHY-BXKDBHETSA-N	267.325	1.758	10	20	CDCD	
CN(Cc1ncccn1)c1ccc(OCC(=O)O)cc1	1598538752	OSJRHBHWOGFUKB-UHFFFAOYSA-N	273.292	1.576	10	20	CDCD	
CCOC[C@@H](C(=O)O)N(C)Cc1ccc(N(C)C)c(C)c1	1596885469	YLMYSXGUVZNSDK-HNNXBMFYSA-N	294.395	1.983	10	20	CDCD	
CCS(=O)(=O)CCN(C)Cc1cc(C)c(C)cc1O	152468653	WXFNORONGSCTTR-UHFFFAOYSA-N	285.409	1.876	10	20	CDCD	
CCN(C)C(=O)CNCc1c(O)cccc1Cl	229522281	DMHKOMLGANUNBJ-UHFFFAOYSA-N	256.733	1.614	10	20	CDCD	
C[C@@H](CCN(C)C)NCc1cc2c(cc1O)OCO2	42880539	VKDANNZQUXSTAG-JTQLQIEISA-N	266.341	1.551	10	20	CDCD	
CCc1cccc(CN[C@@H](C)C(=O)N(C)CC)c1O	709487324	ZZXTYZZCBSIYDF-NSHDSACASA-N	264.369	1.911	10	20	CDCD	
C[C@H](C[C@H]1CCC(=O)N1)NCc1ccc(N(C)C)cc1	381136427	IXXVXEPVPGCCTM-TZMCWYRMSA-N	275.396	1.899	10	20	CDCD	
CC[C@@H](CO)NC(=O)c1cc(C)n(-c2ccccn2)c1C	188255089	WKDJBJJQLQWIHW-ZDUSSCGKSA-N	287.363	1.990	10	20	CDCD	
CN(C)c1ccc(CNS(=O)(=O)N2CCCCC2)cc1	42675534	RIFPJQUAWKOJTE-UHFFFAOYSA-N	297.424	1.573	10	20	CDCD	
CCOc1ccc(O)c(CN[C@H](C)C(=O)N(C)CC)c1	188894657	WKHVKLBDTZVTRN-LLVKDONJSA-N	280.368	1.747	10	20	CDCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCCCC2)c1	48923136	PCXCXSBATQODHD-UHFFFAOYSA-N	298.364	1.390	10	20	CDCD	
CCOc1cccc(CN2CC[C@](C)(C(=O)NC)C2)c1O	228099437	GCXZCRCQGYOWSS-INIZCTEOSA-N	292.379	1.749	10	20	CDCD	
CC[C@H](C)NC=C1C(=O)N(CC)C(=S)N(CC)C1=O	48402870	FNOIUJVYGGOTEG-VIFPVBQESA-N	283.397	1.254	10	20	CDCD	
O=C(O)[C@H]1CCN(Cc2cc(Cl)ccc2O)C1	86789297	YHOKTRDZRXYWPQ-QMMMGPOBSA-N	255.701	1.952	10	20	CDCD	
CC[C@@H]1C(=O)NCCN1Cc1ccc(N(C)C)cc1	93049506	QBJLVQQRSYJWRN-CQSZACIVSA-N	261.369	1.463	10	20	CDCD	
COc1cccc(CN2CC[C@@H](O)[C@@H](C)C2)c1O	249966110	KBDGFZSFEUCXGX-CMPLNLGQSA-N	251.326	1.604	10	20	CDCD	
C[C@@H]1CC(=O)NCCN1Cc1cccc(Cl)c1O	377890624	WZVCRFKLHMOFSM-SECBINFHSA-N	268.744	1.756	10	20	CDCD	
CCC[C@@H](CNC(=O)c1cccc(O)c1O)C(=O)OCC	279420746	IIEMPGSXHAMMDM-JTQLQIEISA-N	295.335	1.807	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2CCO[C@H](C)[C@@H]2C)c1O	278332726	ZMSCFTYSRAHOOR-VHSXEESVSA-N	296.323	1.918	10	20	CDCD	
CN(C)c1ccc(CN[C@H]2CCN(c3cnn(C)c3)C2)cc1	370905059	MZVDEAZNKLLFHJ-HNNXBMFYSA-N	299.422	1.855	10	20	CDCD	
CN(C)c1ccc(CN[C@@]2(C)CCOC2=O)cc1F	289900352	TYEZQZNYLWIGET-AWEZNQCLSA-N	266.316	1.687	10	20	CDCD	
CCOCc1cc(CN[C@H](CO)CCOC)ccc1OC	282364465	WLGCAZKRVFHFQC-HNNXBMFYSA-N	297.395	1.719	10	20	CDCD	
Cc1c(CNC(=O)[C@@H]2CC[C@@H]2C(N)=O)n(C)c2ccccc12	568217132	IXVNPMJHKPTPRQ-QWHCGFSZSA-N	299.374	1.614	10	20	CDCD	
Nc1ccc(NC(=O)[C@H]2CNCCC2(F)F)cc1	818556241	DJJBESXWLJSHCY-SNVBAGLBSA-N	255.268	1.452	10	20	CDCD	
C[C@@H](C[C@@H](C)N)NCc1ccc(N2CCOCC2)cc1	817896219	ZPCDGFNZERNXJJ-KGLIPLIRSA-N	277.412	1.739	10	20	CDCD	
C[C@@H](NC[C@@H](N)c1ccc(N(C)C)cc1)c1ccnn1C	817944256	YNQMTKDYVOHDKG-IUODEOHRSA-N	287.411	1.837	10	20	CDCD	
CCc1cccc(CN2CCN([C@H]3CCOC3)CC2)c1O	827125629	NDBWFOHBROOOLF-INIZCTEOSA-N	290.407	1.861	10	20	CDCD	
C[C@H](N)CC(=O)NCc1ccc(N2CCSCC2)cc1	827320694	MTKFHVDYLXWWEC-LBPRGKRZSA-N	293.436	1.593	10	20	CDCD	
CO[C@@H]1CN(Cc2cc(Cl)cc(F)c2O)C[C@H]1O	825017710	XYCHJKLMLGBHIN-GHMZBOCLSA-N	275.707	1.376	10	20	CDCD	
Cc1ccc(O)c(CN2CC[C@H]3NC(=O)CC[C@@H]3C2)c1	827131862	DWQNNRWXMDRRSY-TZMCWYRMSA-N	274.364	1.801	10	20	CDCD	
COC(=O)N1CC(NCc2cc(Cl)c(C)cc2O)C1	825357416	FBFKYYFGZHJOHV-UHFFFAOYSA-N	284.743	1.894	10	20	CDCD	
O=S1(=O)CC[C@]2(CCCN(Cc3ccccc3O)C2)C1	824977694	OGJJBTPPDHGIKD-HNNXBMFYSA-N	295.404	1.793	10	20	CDCD	
CCOc1cccc(CNC[C@@H]2CCOC[C@H]2OC)c1O	824710528	ZWLFAXRRSSPEGN-SWLSCSKDSA-N	295.379	1.932	10	20	CDCD	
O=C(O)[C@@H](NCc1ccc2c(c1)CCO2)[C@@H]1CCCOC1	901833651	UTDYRUYSEFDTQC-HIFRSBDPSA-N	291.347	1.591	10	20	CDCD	
CC(C)N1CCC[C@@H]1C(=O)NCc1ccc(O)cc1O	822971269	BLCSXJGLOJBNBX-CYBMUJFWSA-N	278.352	1.587	10	20	CDCD	
Cc1nc2n(n1)C[C@@H](NC(=O)c1cc(O)cs1)CC2	732283856	CQYHPKXUPNPJIG-QMMMGPOBSA-N	278.337	1.098	10	20	CDCD	
Cc1cc(CCNS(N)(=O)=O)c(C)n1-c1ccccc1	906482425	MJRNVDNDTBWTNG-UHFFFAOYSA-N	293.392	1.430	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2nn(C)cc2C)c1	839684533	OVYRMROSDZDYOO-UHFFFAOYSA-N	275.308	1.373	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N[C@@]1(C)CCNC1	831044777	MKVMNCWPKLMUNB-INIZCTEOSA-N	290.411	1.612	10	20	CDCD	
CC(=O)CSCC(=O)NCc1cc(Cl)ccc1O	846472605	BLOPRVDBLKITIQ-UHFFFAOYSA-N	287.768	1.984	10	20	CDCD	
Nc1ccc(NC(=O)C(=O)N2CCC[C@@H]2C2CCC2)cc1	841027951	HHTTXPPPXCLYMV-CQSZACIVSA-N	287.363	1.998	10	20	CDCD	
C[C@@H](NC[C@H](O)Cn1ccnn1)c1ccc(Cl)cc1O	841752583	BPPIUAXASONCCS-KOLCDFICSA-N	296.758	1.349	10	20	CDCD	
COc1ccc(CNC(=O)NCC2CCNCC2)c(O)c1	841924009	KTWIBUJFGUISGW-UHFFFAOYSA-N	293.367	1.200	10	20	CDCD	
COC(=O)CCC(C)(C)NC(=O)Cc1ccc(N)cc1	843440032	XFKUOFJOLGMXCD-UHFFFAOYSA-N	278.352	1.659	10	20	CDCD	
CN(CCCN)C(=O)NCc1ccc(N2CCCC2)cc1	841709657	JWSDCPDPHPACSS-UHFFFAOYSA-N	290.411	1.777	10	20	CDCD	
c1cc2c(cc1CNC[C@H]1CNCCCO1)CCO2	841085623	JAEPXEOBVMDLBT-CQSZACIVSA-N	262.353	1.090	10	20	CDCD	
O=C1CCCN1CCNCc1c(O)ccc(Cl)c1F	846076328	LOGBOTNAIKVWTN-UHFFFAOYSA-N	286.734	1.897	10	20	CDCD	
C[C@@H](NC(=O)NCC1(N(C)C)CC1)c1ccccc1O	922981927	VIRJXKDTZACBGP-LLVKDONJSA-N	277.368	1.847	10	20	CDCD	
C[C@H](OC(=O)c1cccc(O)c1O)C(=O)OC(C)(C)C	758581294	MCVLEQWKUSZGEP-QMMMGPOBSA-N	282.292	1.985	10	20	CDCD	
COC(=O)COc1ccc(N(C)Cc2cnon2)cc1	851922507	BEOOPFYOLQRJLO-UHFFFAOYSA-N	277.280	1.258	10	20	CDCD	
C[C@@H](NC[C@@H](O)COCC1CC1)c1ccc(F)cc1O	756510593	KLXNMUVYSOVYON-ZWNOBZJWSA-N	283.343	1.969	10	20	CDCD	
CCN(CCNC(=O)NCc1cc(C)ccc1O)C1CC1	858194436	FQXFYVLEZVSOLZ-UHFFFAOYSA-N	291.395	1.984	10	20	CDCD	
Nc1nc(N)nc(NCc2c(O)ccc3c2CCCC3)n1	858426860	VDLXZFLNXIWYGM-UHFFFAOYSA-N	286.339	1.233	10	20	CDCD	
CCCn1cc(/C=C2/SC(=S)NC2=O)nn1	865213876	JKVORFANKYRXLB-QPJJXVBHSA-N	254.340	1.177	10	20	CDCD	
Cc1ccc(C(=O)NCCc2ccn(C)n2)c(O)c1O	760968942	WCIRMKVMQLMWTM-UHFFFAOYSA-N	275.308	1.112	10	20	CDCD	
CN(C)c1ccc(CNC(=O)N[C@H]2C[C@@H](CO)C2)cc1	866038710	ZIOZHRXNMZYKAR-BETUJISGSA-N	277.368	1.323	10	20	CDCD	
O=C1N[C@H](C(=O)NCc2cc(Cl)ccc2O)CCO1	862131293	XIBOQEXSPYBJID-VIFPVBQESA-N	284.699	1.160	10	20	CDCD	
OC1CCN(c2ccc(CN[C@@H]3CCC[C@H]3O)cc2)CC1	877579079	SSOWZRXOPQHVLA-IAGOWNOFSA-N	290.407	1.651	10	20	CDCD	
C[C@H](NC(=O)N1CC[C@H](CO)C1)c1ccc(N(C)C)cc1	776245876	OYMLRNAGZYGIID-STQMWFEESA-N	291.395	1.837	10	20	CDCD	
NC(=O)COC1CCN(Cc2cc(Cl)ccc2O)CC1	1116445430	MNOVIWBENFYGDF-UHFFFAOYSA-N	298.770	1.512	10	20	CDCD	
C[C@@H](NC(=O)[C@H]1C[C@]12CCNC2)c1ccccc1O	870988077	FWWTUPFGTURDHP-HCKVZZMMSA-N	260.337	1.569	10	20	CDCD	
COC[C@H]1CCCN1C(=O)/C=C/c1ccc(O)c(O)c1	779527040	BOANXPHZFJGJQR-HOSRBBHYSA-N	277.320	1.748	10	20	CDCD	
O=C(NCc1ccccc1O)c1ccc2nc(O)[nH]c2n1	774066212	RPWUZCKMGSZSAR-UHFFFAOYSA-N	284.275	1.299	10	20	CDCD	
CN(CC1CC1)S(=O)(=O)Nc1ccc(O)cc1	776744813	AVOYFBZAAAMURV-UHFFFAOYSA-N	256.327	1.391	10	20	CDCD	
COc1ccc(CN2C[C@H](C)[C@H](O)C2)c(O)c1OC	897676705	WKHDICZDABVODS-GXSJLCMTSA-N	267.325	1.222	10	20	CDCD	
COC(=O)[C@@H]1CCN(Cc2cc(F)ccc2O)[C@@H]1C	787422024	XSOPCUOZIJXTHP-BXKDBHETSA-N	267.300	1.915	10	20	CDCD	
CO[C@@H]1CN(Cc2ccc(N(C)C)cc2C)CCO1	895963907	RXIQZEXIIUXRMT-HNNXBMFYSA-N	264.369	1.866	10	20	CDCD	
COc1ccc(CNC(=O)Nc2cccnn2)c(O)c1	797634386	ISMXBWWEEVSQSH-UHFFFAOYSA-N	274.280	1.513	10	20	CDCD	
COc1ccc(CNC(=O)NCCN(C)C2CC2)c(O)c1	792983060	BMRCJIMERAGOCU-UHFFFAOYSA-N	293.367	1.294	10	20	CDCD	
CC(C)(CC(=O)O)NC(=O)Cc1ccc(N)cc1	84161292	RNJCKRFZLSFTAA-UHFFFAOYSA-N	250.298	1.181	10	20	CDCD	
CN1CCN(c2ccc(CN[C@H]3C[C@@H](O)C3)cc2F)CC1	1326453533	XRSCXOXSEZONLP-OKILXGFUSA-N	293.386	1.190	10	20	CDCD	
CCCN1CCN(Cc2c(O)cccc2OC)CC1	768137904	OBTUGJHWNLNDCL-UHFFFAOYSA-N	264.369	1.928	10	20	CDCD	
CN(C)c1cccnc1CNC(=O)NCc1ccc(N)cc1	1335526512	ZFHJOISANZWGIL-UHFFFAOYSA-N	299.378	1.729	10	20	CDCD	
CCn1c(C[C@H](C)O)nnc1N(C)Cc1ccccc1O	1340985663	RBLVTEPFPMQDOQ-NSHDSACASA-N	290.367	1.563	10	20	CDCD	
Nc1ccc(CNC(=O)c2ncc3n2CCCC3)cc1	1356228847	WDPWAQXSUQABAA-UHFFFAOYSA-N	270.336	1.732	10	20	CDCD	
COc1ccc(CNc2ccc(C(=O)O)nn2)c(O)c1	1607261183	JKROEJKYVNVQIF-UHFFFAOYSA-N	275.264	1.501	10	20	CDCD	
CCn1ncnc1CN[C@H](C)c1cc(C(=O)O)ccc1O	1605945468	KZRJRQJALOTDLH-SECBINFHSA-N	290.323	1.553	10	20	CDCD	
Oc1cccc(O)c1CNc1cccc(-c2nn[nH]n2)n1	1582816666	PWUTYSCJLZWABY-UHFFFAOYSA-N	284.279	1.285	10	20	CDCD	
CCN(CC)c1ccc(CN2C[C@H](O)C[C@H]2C(=O)O)cc1	1596289398	HRFCWXXMEUOHFZ-CABCVRRESA-N	292.379	1.553	10	20	CDCD	
CC[C@H](CNCc1ccc(N2CC[C@H](O)C2)cc1)C(=O)O	1776714506	LUDBVAIUZUAQJY-HIFRSBDPSA-N	292.379	1.458	10	20	CDCD	
CCOc1ccc(N(C)CC(=O)N2CCNC2=O)cc1	150729188	ZAAGSQHOYXPFPV-UHFFFAOYSA-N	277.324	1.073	10	20	CDCD	
CC(C)(CO)CCNC(=O)c1cccc(O)c1O	295409593	KZSNTTZUJIUVFG-UHFFFAOYSA-N	253.298	1.236	10	20	CDCD	
O=C(NCc1ccccc1O)[C@@H]1CC12CCOCC2	690050922	GBRWHRULIMFEGK-LBPRGKRZSA-N	261.321	1.825	10	20	CDCD	
Cc1cc(O)ccc1NS(=O)(=O)c1cc(C(=O)O)co1	710671429	UOAVIDZYPLTKCJ-UHFFFAOYSA-N	297.288	1.793	10	20	CDCD	
OC[C@H](C[C@@H]1CCCO1)N[C@H]1CCc2cccc(O)c21	886670233	LDWFDWDVSJEDNB-IHRRRGAJSA-N	277.364	1.899	10	20	CDCD	
CC(C)(CNCc1ccc2c(c1)CCO2)N1CCOCC1	37362735	YESUQLVAQLVNGY-UHFFFAOYSA-N	290.407	1.822	10	20	CDCD	
CCCN(C)S(=O)(=O)NCc1ccc(N(C)C)cc1C	120654321	DNDKQBLFGLSIHM-UHFFFAOYSA-N	299.440	1.737	10	20	CDCD	
CNC(=O)CNC(=O)c1cc(C)n(-c2cccc(C)c2)c1C	25598460	UCEZIMBAGPQDLZ-UHFFFAOYSA-N	299.374	1.878	10	20	CDCD	
CC(=O)N1CCN(Cc2cc(F)ccc2O)C(C)(C)C1	184726733	CTUCPEFJCWFBMH-UHFFFAOYSA-N	280.343	1.974	10	20	CDCD	
COc1cc(N2C[C@H](C)N[C@H](C)C2)c([N+](=O)[O-])cc1OC	213809757	HFKYQWUGJQFPCD-AOOOYVTPSA-N	295.339	1.799	10	20	CDCD	
COCCN(CCOC)Cc1cccc(C)c1O	124508857	KYIBCRFIQZTHHB-UHFFFAOYSA-N	253.342	1.795	10	20	CDCD	
CN1CCC(CNC(=O)/C=C/c2ccc(O)c(O)c2)CC1	181009760	UDMZKQRSHZQXMI-HWKANZROSA-N	290.363	1.569	10	20	CDCD	
O=C(NCCc1ccc(O)c(O)c1)c1cccc(F)n1	159820491	LDIFTWWUPKRACF-UHFFFAOYSA-N	276.267	1.604	10	20	CDCD	
CC(C)NC(=O)CN[C@@H](C)c1ccc(F)c(F)c1O	191187766	PWWPRRPSCDNCTF-QMMMGPOBSA-N	272.295	1.846	10	20	CDCD	
O=C1OCC[C@@]12CCCN2Cc1cc(F)ccc1O	190042142	LSCOUYCXRYHXCH-AWEZNQCLSA-N	265.284	1.813	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H](CN)OC	232115924	WIOXVDNGKKXWGK-HNNXBMFYSA-N	293.411	1.465	10	20	CDCD	
CCc1n[nH]c(=O)c(C(=O)Nc2ccc(N)cc2)c1CC	237020514	IPCRTGUVSYHCMD-UHFFFAOYSA-N	286.335	1.729	10	20	CDCD	
COc1cccc(CNCCC(C)(C)CO)c1O	294915729	YIMXOVKMFVYGJE-UHFFFAOYSA-N	253.342	1.899	10	20	CDCD	
CC[C@H](NC[C@@]1(O)CCOC1)c1ccc(N(C)C)cc1	90849156	FXUXGCFOHNKQEB-HOTGVXAUSA-N	278.396	1.945	10	20	CDCD	
COC1(CNC(=O)c2cccc(O)c2O)CCCC1	295256842	FRGGJMNLZYTHPJ-UHFFFAOYSA-N	265.309	1.787	10	20	CDCD	
Cc1ccc([C@@H](C)NCC(=O)N2CCOCC2)c(O)c1	181232500	IJAHQLDPKNQHNI-GFCCVEGCSA-N	278.352	1.210	10	20	CDCD	
Nc1ccc(CC(=O)NCC2(CCO)CCCC2)cc1	262641164	PDDCBNJKFIVUBN-UHFFFAOYSA-N	276.380	1.870	10	20	CDCD	
COC(=O)c1ccc(O)c([C@H](C)NC[C@@H](C)O)c1	273414917	QQYNLWZFHLLOCC-BDAKNGLRSA-N	253.298	1.210	10	20	CDCD	
C[C@H](CO)CCCNCc1cc([N+](=O)[O-])ccc1O	270277703	LVFJOKWEKYEUHE-JTQLQIEISA-N	268.313	1.799	10	20	CDCD	
COCC1(O)CCN(Cc2ccc(N(C)C)cc2)CC1	271172104	ICXABMDTZSGDSZ-UHFFFAOYSA-N	278.396	1.726	10	20	CDCD	
CCOCC[C@@H](O)CN(C)Cc1ccccc1O	277820494	VOAAHRLDJZSJGP-CYBMUJFWSA-N	253.342	1.612	10	20	CDCD	
COC(=O)[C@@H]1CCN(C(=O)c2cccc(O)c2O)C[C@@H]1C	276626584	PAZANSQDTRJASR-VHSXEESVSA-N	293.319	1.369	10	20	CDCD	
Cc1ccc(C(=O)NCCC[C@@H](C)CO)c(O)c1O	272928915	FZZXWSVATMHNLG-SECBINFHSA-N	267.325	1.545	10	20	CDCD	
CC[C@H](C)N(CC(=O)OC)Cc1cc2c(cc1O)OCO2	281220983	KJGBKHXUUMYVGX-JTQLQIEISA-N	295.335	1.894	10	20	CDCD	
COCC[C@H]1COCCN1Cc1cc(F)ccc1O	291326610	UCBHCLYMRRPEEU-ZDUSSCGKSA-N	269.316	1.769	10	20	CDCD	
OC[C@@H]1[C@H]2CN(Cc3cccc(Br)c3O)C[C@H]21	814172281	GNJAJKXUHRKSOA-URLYPYJESA-N	298.180	1.825	10	20	CDCD	
CON(C)C(=O)CCNCc1ccc2c(c1)CCO2	818997221	VDNKCNMUOCWMGW-UHFFFAOYSA-N	264.325	1.121	10	20	CDCD	
C[C@H](NC[C@H](N)c1ccc(N(C)C)cc1)[C@@H]1CCCCN1	817943853	WAYZRDNYXANXQP-JQFCIGGWSA-N	290.455	1.873	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2cccc(CO)c2)c1	813488654	BHWZMYZZBVKNHD-UHFFFAOYSA-N	287.315	1.823	10	20	CDCD	
CCN(C)c1ccc(Cn2nnc(-c3ccncn3)n2)cc1	829704700	MEEDVPWVFUVQIT-UHFFFAOYSA-N	295.350	1.635	10	20	CDCD	
CCn1nc(C)c(CNC(=O)Cc2ccc(N)cc2)c1C	828457668	WLHPTUQECNMGTA-UHFFFAOYSA-N	286.379	1.961	10	20	CDCD	
C[C@@H]1COC[C@@H]1NC(=O)NCc1ccc(N(C)C)cc1	902962527	GFAIEFQZTCRVNS-RISCZKNCSA-N	277.368	1.587	10	20	CDCD	
NC1(CNCc2ccc(N3CCOCC3)cc2)CC1	904450814	SXXQJONXTRFYKD-UHFFFAOYSA-N	261.369	1.104	10	20	CDCD	
Cc1cc(CN2CC[C@H](C(=O)N(C)C)C2)ccc1N(C)C	839635239	FJUFQTSHUWZCBM-HNNXBMFYSA-N	289.423	1.971	10	20	CDCD	
COc1ccc(CNC(=O)[C@@H]2C[C@]23CCNC3)c(O)c1	832178606	TZNDFWZMJYFOSF-WFASDCNBSA-N	276.336	1.017	10	20	CDCD	
COc1ccc(N(C)Cc2cn(CCC(C)=O)nn2)cc1	906315469	FVRZMMCUIISXLU-UHFFFAOYSA-N	288.351	1.902	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NCc2cocn2)cc1F	730829138	AIFIIQTUPZKYEQ-UHFFFAOYSA-N	292.314	1.879	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)C1CC(F)(F)C1	910951559	TXIJZTHOLKIUGN-UHFFFAOYSA-N	257.236	1.759	10	20	CDCD	
CCN(CC)C(=O)[C@H](C)OC(=O)c1cc(O)cs1	732353182	NHZLPBQOVSDYDY-QMMMGPOBSA-N	271.338	1.867	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)C2(N(C)C)CC2)c1	830541087	SAVWEVOPYJAUDB-JTQLQIEISA-N	278.352	1.672	10	20	CDCD	
Cc1cc(C)c2c(N)c(C(=O)OCCO)sc2n1	913267061	RLGLGUYSJRSAOA-UHFFFAOYSA-N	266.322	1.644	10	20	CDCD	
CC(C)c1cc(C(=O)NCc2ccc(O)cc2O)n[nH]1	910951331	FKYZNERFYUHEAX-UHFFFAOYSA-N	275.308	1.874	10	20	CDCD	
C[C@@H]1CN(C(=O)NCc2ccc(N(C)C)c(F)c2)C[C@H]1N	841760455	KTNQEOZJWWHTMF-ZWNOBZJWSA-N	294.374	1.380	10	20	CDCD	
C[C@@H]1C[C@@H](CNC[C@H](N)c2ccc(N(C)C)cc2)CCN1	841044502	ZBWXJURWOONIOP-KEYYUXOJSA-N	290.455	1.730	10	20	CDCD	
Oc1ccc(Br)cc1CN[C@@H]1CCNC1	841044783	HPJLJUJMMDFWOR-SNVBAGLBSA-N	271.158	1.606	10	20	CDCD	
CCCN(Cc1ccccc1O)C(=O)c1cc(CO)on1	748042879	XTKQRRPDDPEEPE-UHFFFAOYSA-N	290.319	1.925	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2C[C@@H]3CCNC[C@@H]3C2)c1O	923522184	WSJCJEUXYUPOCM-WCQYABFASA-N	292.354	1.775	10	20	CDCD	
O=C(NCc1cc(Cl)ccc1O)c1csnn1	857547529	IOTXASZXKXVTIJ-UHFFFAOYSA-N	269.713	1.827	10	20	CDCD	
CS(=O)(=O)CCCCOC(=O)c1cc(O)cs1	759892240	CUFFECGZKNZHOC-UHFFFAOYSA-N	278.351	1.435	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CCC(=O)N(C)CC2)c1O	852579940	LLVANKQHWXELFM-UHFFFAOYSA-N	294.326	1.398	10	20	CDCD	
CC1(CNCc2ccc(N3CCC(O)CC3)cc2)COC1	850406823	VIQUPLFNFMUMRE-UHFFFAOYSA-N	290.407	1.774	10	20	CDCD	
CC[C@@H](C[C@H](C)CO)NC(=O)c1cc(O)cs1	765310749	MIHCROSPRLLZFB-IUCAKERBSA-N	257.355	1.981	10	20	CDCD	
CCN(CC(=O)NC)Cc1cc(C)c(C)cc1O	768301685	HWESAEGOAMLZAQ-UHFFFAOYSA-N	250.342	1.577	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)COC(F)(F)F	934704997	FGVPHNCRLOHOGL-UHFFFAOYSA-N	263.215	1.887	10	20	CDCD	
Oc1cc2c(cc1CN1CCO[C@@H]3CCC[C@@H]31)[C@H](O)CO2	863305378	ZFNNVNYZCIWUPZ-NWANDNLSSA-N	291.347	1.571	10	20	CDCD	
COc1ccc(O)c(CN(C)CC2(O)CCC2)c1	761219314	NBXLWNPWSZTHDG-UHFFFAOYSA-N	251.326	1.748	10	20	CDCD	
CO[C@H]1CN[C@@](C)(C(=O)NCc2ccc(N(C)C)cc2)C1	876713458	QDEOJRYPYIHMDT-GDBMZVCRSA-N	291.395	1.136	10	20	CDCD	
C[C@H](NCCS(C)(=O)=O)c1c(O)cccc1F	886518010	ZTYOFKCVWNHMKU-QMMMGPOBSA-N	261.318	1.227	10	20	CDCD	
CN1CCC[C@@H]1CNC(=O)/C=C\c1ccc(O)c(O)c1	779522773	VHJHLFYJGFVJCM-SMYYYNMVSA-N	276.336	1.321	10	20	CDCD	
C[C@H](NC[C@H](O)Cn1cccn1)c1ccc(N(C)C)cc1	775833486	JXOKFGCHLCKCIA-BBRMVZONSA-N	288.395	1.661	10	20	CDCD	
CS/C=C\C(=O)OCC(=O)c1ccc(O)c(O)c1	784213510	URFRIWOJNQLTBV-PLNGDYQASA-N	268.290	1.700	10	20	CDCD	
OC[C@@H](NCc1cc(F)cc(F)c1O)C1CCOCC1	883086509	XPEYIQOYQWVCEA-CYBMUJFWSA-N	287.306	1.548	10	20	CDCD	
COc1cc(C)cc(CN2CCCNC(=O)[C@@H]2C)c1O	788045597	CVZDQXPEGFJQQG-NSHDSACASA-N	278.352	1.420	10	20	CDCD	
COc1cc(C)cc(CNC[C@H](CO)[C@H]2CCOC2)c1O	894643675	RYYIWVKPUVDHCM-GXTWGEPZSA-N	295.379	1.444	10	20	CDCD	
COc1ccc(CN(C[C@@H](C)O)C2CC2)c(O)c1OC	895231310	YAARAHVMKVBBEQ-SNVBAGLBSA-N	281.352	1.755	10	20	CDCD	
COC(C)(C)C(=O)COC(=O)c1cccc(O)c1O	798655058	SRWXNRFXZFPMAE-UHFFFAOYSA-N	268.265	1.249	10	20	CDCD	
CN1C[C@@H]2CCCN(C(=O)c3c(F)ccc(O)c3O)[C@@H]2C1	1326673157	AJYOELQRTNNTJF-GXSJLCMTSA-N	294.326	1.403	10	20	CDCD	
C[C@H](c1nnc(N(C)Cc2ccccc2O)n1C)[N+](=O)[O-]	1339669111	RWMIBZIBRPUAGV-SECBINFHSA-N	291.311	1.495	10	20	CDCD	
Cc1nc(CN2CCOc3cc(N(C)C)ccc32)n[nH]1	794448201	GWNYDEFPMONQQW-UHFFFAOYSA-N	273.340	1.578	10	20	CDCD	
CSCCCNC(=O)C(=O)N(C)Cc1ccccc1O	1340386286	HKRGNWIRTVHYSF-UHFFFAOYSA-N	296.392	1.220	10	20	CDCD	
CN(CC(=O)NCc1cccc(O)c1O)C1CCC1	1347542460	MTYUWZITKDNNKH-UHFFFAOYSA-N	264.325	1.198	10	20	CDCD	
O=C(O)c1ccc(C(=O)NCc2cccc(O)c2O)nc1	1602323207	YWIRWISMQOINOK-UHFFFAOYSA-N	288.259	1.121	10	20	CDCD	
O=C(O)[C@H]1C[C@H](O)CN1Cc1cc(Cl)cc(F)c1O	1601771085	CZFKAJSPTGWCRZ-WCBMZHEXSA-N	289.690	1.205	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CN2C[C@H]3CCNC[C@H]32)c1O	1579136819	UOIJNWQDSZENOV-BXKDBHETSA-N	293.323	1.103	10	20	CDCD	
C[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)CCN1	1576789475	CYMIFAKZCRRTKA-SECBINFHSA-N	275.312	1.283	10	20	CDCD	
Cc1cc(C(=O)N(C)CCCN)c(C)n1-c1ccccn1	158834281	TTXNYNLBSNQBEA-UHFFFAOYSA-N	286.379	1.910	10	20	CDCD	
CCN(C)c1ccc(Cn2nc(COC)oc2=O)cc1	164402009	LVJAQXGWTLBIGI-UHFFFAOYSA-N	277.324	1.487	10	20	CDCD	
O=C(NCC[C@@H]1C[C@H]2CC[C@H]1O2)c1cccc(O)c1O	837892348	YFDWURCSGXPTOM-GIPNMCIBSA-N	277.320	1.785	10	20	CDCD	
CC[C@@H](NC[C@H]1CCS(=O)(=O)C1)c1ccccc1O	38082860	QADMBKSMOCYTPS-DGCLKSJQSA-N	283.393	1.868	10	20	CDCD	
COC[C@H](C)CNCc1ccc(N2CCOCC2)cc1	44478651	XXMKAGXFFFNUCC-CQSZACIVSA-N	278.396	1.895	10	20	CDCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1C[C@H](F)CN1	188840335	YMUDKHLMSIOQIX-GXTWGEPZSA-N	279.359	1.411	10	20	CDCD	
C[C@@]1(CO)CCCN(C(=O)c2cccc(O)c2O)C1	688068792	VTFFGSDUABQWCO-CQSZACIVSA-N	265.309	1.332	10	20	CDCD	
O=C(O)c1coc(S(=O)(=O)NCc2ccccc2O)c1	710672178	ZIBWJHFIPRCCFY-UHFFFAOYSA-N	297.288	1.162	10	20	CDCD	
NC(=O)[C@@H]1CC[C@H](NCc2c(O)cccc2Cl)C1	825279034	LQDDQGIAJZCJIG-BDAKNGLRSA-N	268.744	1.789	10	20	CDCD	
C[C@@H](NS(=O)(=O)C1(C)CC1)c1ccccc1O	867834492	JUNSONDROPSWTR-SECBINFHSA-N	255.339	1.925	10	20	CDCD	
CN(C)c1ccc(CNS(=O)(=O)CCCF)cc1	173993680	XBKVOBZQNROZKN-UHFFFAOYSA-N	274.361	1.532	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)NCC[C@H](C)O	304232446	OHKMZHAUFCWSAL-LBPRGKRZSA-N	279.384	1.631	10	20	CDCD	
COC[C@@H](O)CCN[C@@H](C)c1ccc(F)cc1O	186202572	DUPINUGIBDYCNZ-ONGXEEELSA-N	257.305	1.579	10	20	CDCD	
Cc1ccc(C(=O)NC[C@@H](C)Cn2ccnc2)c(O)c1O	182487138	LOIXJWWKVWWQLJ-SNVBAGLBSA-N	289.335	1.669	10	20	CDCD	
CO[C@H](C)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1	77639336	HIESYFXJDYFRQN-CYBMUJFWSA-N	292.379	1.517	10	20	CDCD	
Cc1ccc(C(=O)N[C@H]2CCCOCC2)c(O)c1O	182995153	SDDNNOMRDWEWCB-JTQLQIEISA-N	265.309	1.705	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)COCC1CC1	186428543	OETPMWUMRLFFHU-SNVBAGLBSA-N	279.336	1.572	10	20	CDCD	
CN1CC[C@H](C(=O)NCc2ccc(N(C)C)cc2)CC1=O	44332264	ULAZFXVHASABCC-ZDUSSCGKSA-N	289.379	1.237	10	20	CDCD	
NC(=O)CN1CCCc2cc(OC(F)F)ccc21	48922262	MGVWACNAZCJBCA-UHFFFAOYSA-N	256.252	1.526	10	20	CDCD	
CC[C@@H](C)NC(=O)[C@H](C)NCc1ccccc1O	134230800	REPUGCCIHDYZQO-MNOVXSKESA-N	250.342	1.785	10	20	CDCD	
O[C@@]1(CNCc2ccc(N3CCCCC3)cc2)CCOC1	229638858	DSBMLSCGXXWGJH-QGZVFWFLSA-N	290.407	1.918	10	20	CDCD	
COCc1noc(CN(C)Cc2ccccc2O)n1	182652106	VVPRILUXEADXBC-UHFFFAOYSA-N	263.297	1.554	10	20	CDCD	
CCN(C)C(=O)CN(C)c1cc(OC)c(OC)c(OC)c1	266007600	KYCRPJKCGPCEOF-UHFFFAOYSA-N	296.367	1.627	10	20	CDCD	
C[C@H]1CCN(CC(=O)NCc2ccc(N(C)C)cc2)C1	263732610	QBGRBMNOZPSEFF-ZDUSSCGKSA-N	275.396	1.711	10	20	CDCD	
CC(C)(O)CCNC(=O)NCc1ccccc1O	274968520	VKQBLFDGWRBDCJ-UHFFFAOYSA-N	252.314	1.352	10	20	CDCD	
CN(C)c1ccc(CN2C(=O)NC(C)(C)C2=O)cc1F	272413291	LPQXDXFEGAGBHD-UHFFFAOYSA-N	279.315	1.722	10	20	CDCD	
CCCOc1ccc(CN2CCO[C@@H](CO)C2)c(O)c1	271193048	QMEJNKVGJIWAJR-CQSZACIVSA-N	281.352	1.374	10	20	CDCD	
COC(=O)[C@H](C)NCc1ccc(N(C)C)c(F)c1	272430864	QNHKHYXNJVVXQI-VIFPVBQESA-N	254.305	1.543	10	20	CDCD	
CC[C@@H]1CN(Cc2c(O)cccc2OC)CC[C@H]1N	843053711	SHPGNWWBJUWLTO-DGCLKSJQSA-N	264.369	1.960	10	20	CDCD	
CNC(=O)[C@H](CCSC)NCc1cccc(OC)c1O	808437184	IGURYGCVEUMWRW-NSHDSACASA-N	298.408	1.358	10	20	CDCD	
CC[C@H]1CN(Cc2c(O)cccc2OC)CC[C@H]1N	843053712	SHPGNWWBJUWLTO-WCQYABFASA-N	264.369	1.960	10	20	CDCD	
O=C(Cn1cc(Cl)cn1)NCc1ccccc1O	806718166	VQPZTWNJTTULFO-UHFFFAOYSA-N	265.700	1.559	10	20	CDCD	
C[C@@H](N[C@@H]1CC[C@H]1O)c1cc([N+](=O)[O-])ccc1O	818358324	UVBKXERAGVKGSE-NYRNMGCKSA-N	252.270	1.474	10	20	CDCD	
COc1ccc(O)c([C@@H](C)NC[C@H](N)C2CC2)c1	817965771	VBYFWBHJQCGXLN-RNCFNFMXSA-N	250.342	1.789	10	20	CDCD	
C[C@H](NC[C@H](N)c1ccc(N(C)C)cc1)[C@@H]1CCCN1	817942972	SGSPMQDMOTWIIR-RCBQFDQVSA-N	276.428	1.483	10	20	CDCD	
COc1ccc(CN[C@@H](C)Cn2cncn2)c(O)c1	725849118	IAVOIQSIYJMWIW-JTQLQIEISA-N	262.313	1.171	10	20	CDCD	
Cn1cccc1CN1C(=O)CN(Cc2ccccc2O)C1=O	819164314	GRCYJQBPJPEPAA-UHFFFAOYSA-N	299.330	1.695	10	20	CDCD	
COC[C@@H](OC)C(=O)NCc1ccc(N(C)C)cc1C	827955968	LPUOSUPUUUAHMU-CQSZACIVSA-N	280.368	1.339	10	20	CDCD	
COC[C@H](OC)C(=O)NCc1c(O)ccc2c1CCCC2	830559961	XZGAKUZURKVOMI-HNNXBMFYSA-N	293.363	1.549	10	20	CDCD	
COC(=O)CC(=O)N[C@@H](C)c1cc(OC)ccc1O	907061657	WHIOTGJZPDCJPG-QMMMGPOBSA-N	267.281	1.141	10	20	CDCD	
CN(C(=O)c1cc(O)cs1)[C@@H]1CC(C)(C)OC1=O	832822699	JWSJDPMNYHKXLG-MRVPVSSYSA-N	269.322	1.620	10	20	CDCD	
COCCCNC(=O)CN[C@H](C)c1cc(OC)ccc1O	839539355	KZHZYGFUPRUKMJ-LLVKDONJSA-N	296.367	1.204	10	20	CDCD	
O=C(NCc1ccc(O)cc1O)C1(O)CCCC1	910951058	OLCDFVPLZKXBQX-UHFFFAOYSA-N	251.282	1.019	10	20	CDCD	
CN(CC1CC1)S(=O)(=O)Nc1ccc(O)c(F)c1F	830184639	LCVAODUQTMLMCH-UHFFFAOYSA-N	292.307	1.669	10	20	CDCD	
COCCNC(=O)C1(N[C@@H]2CCc3cccc(O)c32)CC1	840825120	SNHOATGMIIPBGR-GFCCVEGCSA-N	290.363	1.264	10	20	CDCD	
COC(=O)C1(C(=O)NCc2cc(Cl)ccc2O)CC1	846472974	HEWURHMXBPZIKW-UHFFFAOYSA-N	283.711	1.615	10	20	CDCD	
OC[C@@H]1CN(Cc2cc(Cl)c(F)cc2O)CC[C@H]1O	840975627	PMCOQUXYTNTMIQ-JOYOIKCWSA-N	289.734	1.360	10	20	CDCD	
CNCCNC(=O)N(C)Cc1ccc(N(C)C)cc1	841937463	YDXDEJMBTHYUCD-UHFFFAOYSA-N	264.373	1.113	10	20	CDCD	
COc1c(C(=O)NCc2ccc(O)cc2O)c(C)nn1C	910954592	LMHRIGCEAAZTOP-UHFFFAOYSA-N	291.307	1.078	10	20	CDCD	
CC(C)=CCCNC(=O)C(=O)NCCc1ccc(N)cc1	842066373	UBGLWZKDKSEQKQ-UHFFFAOYSA-N	289.379	1.400	10	20	CDCD	
C[C@H](CCCCN)NC(=O)NCCc1ccc(N)cc1	841955419	BMOWOFVVINRZIM-GFCCVEGCSA-N	278.400	1.628	10	20	CDCD	
CC[C@@H]1CN(C)CCN1C(=O)Nc1ccc(N)cc1	841299750	NLGDSJNRELSAAP-CYBMUJFWSA-N	262.357	1.827	10	20	CDCD	
COc1cc(O)c(CN2CCC[C@@H](C)[C@H]2CN)cc1OC	843051763	LNFNBNGTZMRYDJ-DGCLKSJQSA-N	294.395	1.969	10	20	CDCD	
OC[C@@H]1CN(Cc2c(O)ccc(Cl)c2F)CC[C@H]1O	840974909	JKTPWQBGOJVCFM-GZMMTYOYSA-N	289.734	1.360	10	20	CDCD	
COC[C@@H](OC)C(=O)N(C)Cc1ccc(N(C)C)cc1	854324407	JUFSONADUZLWNZ-CQSZACIVSA-N	280.368	1.372	10	20	CDCD	
CCN1CCN(Cc2cc(C)cc(C)c2O)CC1=O	758278360	YUSGRLCFICWVFJ-UHFFFAOYSA-N	262.353	1.673	10	20	CDCD	
Cc1nc(COC(=O)c2ccc(C)c(O)c2O)no1	759509870	IYEFVKJJUNOFDN-UHFFFAOYSA-N	264.237	1.455	10	20	CDCD	
COC(=O)c1ccc(O)c([C@@H](C)NCCCO)c1	756339236	CPBNRBPCTIJSAG-SECBINFHSA-N	253.298	1.212	10	20	CDCD	
COc1ccc(O)c(CN2CCc3n[nH]cc3C2)c1	857876173	MGULEUZUJYETTK-UHFFFAOYSA-N	259.309	1.682	10	20	CDCD	
CCCCS(=O)(=O)CC(=O)N(C)Cc1ccccc1O	934704603	AOXQSGASGHBEEH-UHFFFAOYSA-N	299.392	1.566	10	20	CDCD	
CC[C@](C)(O)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1	935312773	YWFXGARYFJKZKK-XPTSAGLGSA-N	267.325	1.306	10	20	CDCD	
Cc1cc(CS(=O)(=O)N[C@H](C)c2ccccc2O)on1	867835005	ZABKQZHLLRSCDH-SNVBAGLBSA-N	296.348	1.869	10	20	CDCD	
CN(C)c1ccc(CNC(=O)c2nc(C3CC3)no2)cc1	865896650	OUODNPABSFGEJW-UHFFFAOYSA-N	286.335	1.943	10	20	CDCD	
O=C(/C=C\c1ccc(O)c(O)c1)NCC(=O)C1CCCC1	863059843	RYTLQZDRZLUMJY-VURMDHGXSA-N	289.331	1.987	10	20	CDCD	
O=C(OC[C@H]1CC2(CC2)C(=O)O1)c1cccc(O)c1O	763248454	QZOSMIZTBYVPPP-MRVPVSSYSA-N	278.260	1.350	10	20	CDCD	
CN(C)c1ccc(CN2CCN3C(=O)CC[C@@H]3C2)cc1F	769207384	TVLIBJMPNRLPHT-CYBMUJFWSA-N	291.370	1.698	10	20	CDCD	
CSCC[C@H](N)C(=O)N(C)c1ccc(N)cc1	877077711	RUGPPKLUSRSKSA-NSHDSACASA-N	253.371	1.312	10	20	CDCD	
C[C@@H](NC(=O)[C@@H]1CCN(C)C1=O)c1ccc(N(C)C)cc1	775408800	BZVGHTGDGMKTRX-RISCZKNCSA-N	289.379	1.408	10	20	CDCD	
CO[C@@H](C)Cn1cc(COc2ccc(N)cc2)nn1	881318967	PNLPNWSVBMXWJN-JTQLQIEISA-N	262.313	1.474	10	20	CDCD	
COCCCC(=O)NCCNCc1ccc(OC)c(C)c1	1124073483	YJPWQNTUPCRYIU-UHFFFAOYSA-N	294.395	1.636	10	20	CDCD	
CCN(Cc1ccc(N(C)C)cc1)c1cc(C(N)=O)ncn1	882112296	SVYLDAZFESOKQE-UHFFFAOYSA-N	299.378	1.668	10	20	CDCD	
COC(=O)[C@H]1CCN(Cc2c(O)cccc2OC)[C@@H]1C	787421508	STHJNGAUVINHGA-MNOVXSKESA-N	279.336	1.784	10	20	CDCD	
CC1(C)CNC(=O)[C@H]1NCc1ccc2c(c1)CCO2	895316055	HJLZMRUWKMYGPQ-CYBMUJFWSA-N	260.337	1.236	10	20	CDCD	
CCOc1ccc(CN(C)CC2CC(O)C2)c(O)c1	785984242	KLWLTEHBWNPETQ-UHFFFAOYSA-N	265.353	1.994	10	20	CDCD	
COC(=O)[C@@H](C)N(C)Cc1cc(C)cc(OC)c1O	894618957	IELGPIFDJKDXCL-SNVBAGLBSA-N	267.325	1.703	10	20	CDCD	
CCO[C@@H]1COCC[C@H]1NC(=O)c1cccc(O)c1O	790933735	XYGJNPLKLPKOBK-ZYHUDNBSSA-N	281.308	1.022	10	20	CDCD	
COc1cccc(O)c1CN1C[C@@H](O)C(C)(C)C1	790939071	ZLYQDEAXDMVOQU-CYBMUJFWSA-N	251.326	1.604	10	20	CDCD	
CCCCN(C)CCNC(=O)c1cccc(O)c1O	790708034	UHFULSMOGLKVBY-UHFFFAOYSA-N	266.341	1.560	10	20	CDCD	
CC[C@H]1CC[C@@H](C(=O)NCc2ccc(OC)cc2O)O1	794374483	UYXMZMHZCQBFRO-FZMZJTMJSA-N	279.336	1.975	10	20	CDCD	
OC[C@H](O)CNCc1cc(Cl)cc(Cl)c1O	83483187	QEGVEFPNVHFCHF-MRVPVSSYSA-N	266.124	1.142	10	20	CDCD	
CN1CCC[C@@H](NCc2cc(F)cc(F)c2O)C1=O	708409488	QNUXOPSLSWVPJM-LLVKDONJSA-N	270.279	1.381	10	20	CDCD	
CCOC(=O)CC1(NCc2ccc(N)cc2)CCOCC1	1335289269	LQOWIMGDIBCDDL-UHFFFAOYSA-N	292.379	1.861	10	20	CDCD	
CCOC(=O)[C@H]1CCN(C(=O)NCc2ccc(N)cc2)C1	1335736486	AYAHHRMIWSDLAN-LBPRGKRZSA-N	291.351	1.363	10	20	CDCD	
CC1(C)CN(C(=O)NCc2ccc(N)cc2)CCCO1	1336290362	LNABNNYNOAAOBW-UHFFFAOYSA-N	277.368	1.979	10	20	CDCD	
COc1ccc(CNCC2([S@](C)=O)CC2)c(O)c1OC	1262370865	SZYZNURJEPVMKX-FQEVSTJZSA-N	299.392	1.410	10	20	CDCD	
O=C(O)[C@@H](CC(F)F)NCc1cc(F)ccc1O	1601639031	FFXYSZGUILAKGQ-MRVPVSSYSA-N	263.215	1.729	10	20	CDCD	
C[C@H](N[C@@H]1CNCC[C@@H]1C)c1cc(C(=O)O)ccc1O	1609774842	CFBAXJIAAHVVHV-OUJBWJOFSA-N	278.352	1.739	10	20	CDCD	
Cc1ccc(C(=O)N(CC(=O)O)CC2CC2)c(O)c1O	1605246845	DPOPILHPDQJAOW-UHFFFAOYSA-N	279.292	1.343	10	20	CDCD	
O=C(c1coc(-c2nn[nH]n2)c1)N1Cc2cccc(O)c2C1	1593370006	XSIQDSNNTXKUQO-UHFFFAOYSA-N	297.274	1.321	10	20	CDCD	
C[C@H]1CN(Cc2ccc(F)c(F)c2O)C[C@@H](C(=O)O)O1	1599929433	SJSGYSIQZBCMFN-XVKPBYJWSA-N	287.262	1.344	10	20	CDCD	
CON(C)CCNCc1ccc(N2CCCC2)cc1	1119288378	CTYYJBMCZYJCGT-UHFFFAOYSA-N	263.385	1.870	10	20	CDCD	
CNC(=O)C(C)(C)CNCc1ccc(N(C)C)cc1	120145639	ZQGCLTVZNFJDOA-UHFFFAOYSA-N	263.385	1.614	10	20	CDCD	
COCC1CCN(C(=O)c2cccc(O)c2O)CC1	126426249	GKAIYCPZPAQFOD-UHFFFAOYSA-N	265.309	1.596	10	20	CDCD	
CCCNC(=O)CN[C@H](C)c1cc(OC)ccc1O	36780924	ZCZVYHYHEPBTRG-SNVBAGLBSA-N	266.341	1.578	10	20	CDCD	
COc1ccc(O)c(CNCC2(O)CCOCC2)c1	162319660	SWXJQXKMJOLTNG-UHFFFAOYSA-N	267.325	1.032	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)Cc1cnn(C)c1	171258362	HIVWOJQLJXYDGN-UHFFFAOYSA-N	259.309	1.327	10	20	CDCD	
C[C@H](CCCO)CNCc1cc2c(cc1O)OCO2	294884331	VVHMOVUTZQNYOJ-SNVBAGLBSA-N	267.325	1.619	10	20	CDCD	
Cn1c(Cl)cnc1CNC(=O)c1cccc(O)c1O	393624953	JIGIGTSLGPGNHA-UHFFFAOYSA-N	281.699	1.415	10	20	CDCD	
CCONC(=O)/C=C/c1ccc(N2CCOCC2)cc1	108788055	HFOUJQSZVBTPQE-VMPITWQZSA-N	276.336	1.604	10	20	CDCD	
CN(Cc1cc2c(cc1O)OCO2)[C@H]1CCOC1	106857954	OBCLBZROEQRQCR-JTQLQIEISA-N	251.282	1.342	10	20	CDCD	
C[C@@H](NC[C@@H]1CN(C)CCN1C)c1ccc(N(C)C)cc1	68801754	RSIGQQIYGCUPFT-RHSMWYFYSA-N	290.455	1.649	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNC(=O)N(C)CC(C)(C)O	305001457	BFZREBGTXDTSLS-UHFFFAOYSA-N	293.411	1.973	10	20	CDCD	
COC[C@H]1CCCN(C(=O)c2ccc(C)c(O)c2O)C1	179496934	ZHVOHEJVBKXZJX-NSHDSACASA-N	279.336	1.905	10	20	CDCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cnn(C)c1	183473234	KYMRDLYIHGPBBZ-SECBINFHSA-N	275.308	1.192	10	20	CDCD	
Nc1ccc(NC(=O)NCCC(=O)N2CCCCC2)cc1	124562059	MPOPGVCTPFABLC-UHFFFAOYSA-N	290.367	1.793	10	20	CDCD	
CCOc1cccc(CN2CCN3C(=O)CC[C@@H]3C2)c1O	211268053	GGJRYKYPOAOKLN-CYBMUJFWSA-N	290.363	1.598	10	20	CDCD	
COc1cc(Cl)cc(CN[C@H]2CCN(C)C2)c1O	228673487	OYRNWIJFYOQJKE-NSHDSACASA-N	270.760	1.848	10	20	CDCD	
CCN(C)S(=O)(=O)NCCCSc1nccs1	81183651	WJGOHFWHERTSTG-UHFFFAOYSA-N	295.455	1.411	10	20	CDCD	
COc1ccc(O)c(CN[C@H](C)c2nnnn2C2CC2)c1	191835411	RGOBDPJNSYFGIS-SECBINFHSA-N	289.339	1.573	10	20	CDCD	
C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1O	299464474	CZGXPECBIGBPCV-JTQLQIEISA-N	294.351	1.922	10	20	CDCD	
COc1cc(Cl)cc(CN2CCS(=O)CC2)c1O	184689154	HOHRGLFYSPWDGX-UHFFFAOYSA-N	289.784	1.619	10	20	CDCD	
C[C@@H](NC(=O)N(C)Cc1ccccc1O)[C@@H]1CCOC1	266734471	DHBVLMBDNIGEME-DGCLKSJQSA-N	278.352	1.959	10	20	CDCD	
Cc1ccc(C(=O)N2CC([C@H]3CCOC3)C2)c(O)c1O	366863822	JXVMONIEGVPZQU-JTQLQIEISA-N	277.320	1.515	10	20	CDCD	
COc1cc(O)c(CN(C)CCN(C)C)cc1OC	289921613	VUIWGRQIJAKGJA-UHFFFAOYSA-N	268.357	1.403	10	20	CDCD	
CCCOc1ccc(CN(C)[C@@H](C)CO)c(O)c1	289183025	APUJAQLIZAQFTC-NSHDSACASA-N	253.342	1.994	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1CCc2c[nH]nc2C1	378544762	SVQNKOQDUBSBLU-RDNKVPPGSA-N	299.330	1.508	10	20	CDCD	
NC(=O)CCC1CCN(C(=O)c2cccc(O)c2O)CC1	280034152	YMPYIBGHFUBBLX-UHFFFAOYSA-N	292.335	1.216	10	20	CDCD	
COC(=O)c1cnc(SCC(=O)N(C)C2CC2)s1	295283301	KWLALCYIQNEETH-UHFFFAOYSA-N	286.378	1.643	10	20	CDCD	
CCOC1CC(C(=O)NCc2ccc(O)c(O)c2)C1	292250042	SFUVUSCJIMWURZ-UHFFFAOYSA-N	265.309	1.529	10	20	CDCD	
O=C1C[C@@H](N[C@H]2CCc3cccc(O)c32)CN1C1CC1	296785696	KWTUHXGNJCPQPS-YPMHNXCESA-N	272.348	1.732	10	20	CDCD	
O=C(O)[C@H]1C[C@H]2CC[C@H]1N(C(=O)c1cccc(O)c1O)C2	394630210	BOLJWPMRZRVCRR-DVVUODLYSA-N	291.303	1.423	10	20	CDCD	
CCOc1ccc(O)c(CN[C@@H](C)CN(C)C)c1	290157555	POGLBXIIHUFWOJ-NSHDSACASA-N	252.358	1.831	10	20	CDCD	
OCCCN1CCC[C@H]1CNCc1ccccc1O	824559635	XGJUZHBRNCFLIF-AWEZNQCLSA-N	264.369	1.329	10	20	CDCD	
COc1cccc(O)c1CN1C[C@H](C)[C@@](C)(CO)C1	827700013	NXJGWVWPNUUKOU-XHDPSFHLSA-N	265.353	1.851	10	20	CDCD	
COC(=O)C12CC(C(=O)N[C@H](C)c3ccccc3O)(C1)C2	827952299	MXOJULMPIFAUAY-CPONVNJPSA-N	289.331	1.913	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@@H]1[C@H]2CCC(=O)[C@H]21	906991304	MEINENQIWOHGRE-LEWSCRJBSA-N	259.305	1.576	10	20	CDCD	
C[C@H](O)CNC[C@@H](c1ccc(N(C)C)cc1)N(C)C	905703279	HKSAPIVTIRQPIZ-WFASDCNBSA-N	265.401	1.326	10	20	CDCD	
O=C(COC(=O)c1cc(O)cs1)NCc1ccco1	731909235	DKLYVDGAPHRHMI-UHFFFAOYSA-N	281.289	1.520	10	20	CDCD	
CCc1cccc(CN2CCC[C@@H](S(C)(=O)=O)C2)c1O	692091636	FUHDLCXSVMOSDZ-CQSZACIVSA-N	297.420	1.964	10	20	CDCD	
CCN(CCN1CCOC1=O)c1ccc(OC)cc1	747682496	LQBSYBWAVPXBRI-UHFFFAOYSA-N	264.325	1.974	10	20	CDCD	
COC[C@H](C)NC(=O)NCc1cc(Cl)ccc1O	844279607	CSOUSDGASXNEQF-QMMMGPOBSA-N	272.732	1.880	10	20	CDCD	
CCN1CCO[C@@H](c2nc(Cc3ccc(N)cc3)no2)C1	843161394	SXDNREJJYRXUQL-CYBMUJFWSA-N	288.351	1.636	10	20	CDCD	
C[C@@H](CNCc1cc(Cl)c(F)cc1O)C(=O)O	848640974	XFPSPCGNMWDHHE-LURJTMIESA-N	261.680	1.995	10	20	CDCD	
COC[C@H](CN[C@H](C)c1cc(C(=O)OC)ccc1O)OC	757636118	BGIVRQAAMNWMKL-PWSUYJOCSA-N	297.351	1.491	10	20	CDCD	
O=C(OCC(=O)C1CCC1)c1cccc(O)c1O	758573620	WOXQVNGZGLNTBN-UHFFFAOYSA-N	250.250	1.624	10	20	CDCD	
CN(C)c1ccc(CN(C)S(=O)(=O)NC2CC2)cc1	753870181	ARMGNCZYQFLOHM-UHFFFAOYSA-N	283.397	1.181	10	20	CDCD	
COC[C@H](C)N[C@H](C)c1cc([N+](=O)[O-])ccc1O	756343244	WGGCISKTFZGCNE-DTWKUNHWSA-N	254.286	1.986	10	20	CDCD	
Cc1ccc(O)c([C@H](C)NCCN2CC[C@@H](O)C2)c1	858549658	YGOPQKISAWKLLZ-QWHCGFSZSA-N	264.369	1.418	10	20	CDCD	
Cc1cc(N(C)C)ccc1CNCc1cnnn1C	751146283	CIHVDGPIBFWWSA-UHFFFAOYSA-N	259.357	1.479	10	20	CDCD	
Cc1cc(COC(=O)c2cccc(O)c2O)nn1C	758556037	CWGRERDXUHEEJV-UHFFFAOYSA-N	262.265	1.497	10	20	CDCD	
CCOc1cccc(CN(C)[C@@H]2CCC(=O)N(C)C2)c1O	862427562	AXIHPFONZSUBTN-CYBMUJFWSA-N	292.379	1.844	10	20	CDCD	
CCOC1(C(=O)NCc2cc(C)ccc2O)CCOCC1	862753029	AFHKAJUDIAJELP-UHFFFAOYSA-N	293.363	1.903	10	20	CDCD	
Cn1c(C(=O)NCCCSc2nccs2)cnc1O	865784329	GAFABGSWRZKCQL-UHFFFAOYSA-N	298.393	1.494	10	20	CDCD	
CNC(=O)C(C)(C)CNCc1c(C)cccc1O	877116838	XSCHNVGIQYVVRF-UHFFFAOYSA-N	250.342	1.562	10	20	CDCD	
CN(Cc1cc2c(cc1O)OC[C@@H]2O)C[C@@H]1CCOC1	768462698	BXVMTAOLFMAOIP-HZMBPMFUSA-N	279.336	1.286	10	20	CDCD	
Oc1c(Cl)cccc1CNCc1nnnn1CC1CC1	770669481	YIXZQWONGKXRNT-UHFFFAOYSA-N	293.758	1.732	10	20	CDCD	
CC(C)[C@@](C)(O)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1	773741219	HXCJTOLPWMXYDJ-MEBBXXQBSA-N	281.352	1.552	10	20	CDCD	
O=C(NCc1ccccc1O)c1cnc(O)c([N+](=O)[O-])c1	770321886	QNFYRSSOXYTQIQ-UHFFFAOYSA-N	289.247	1.331	10	20	CDCD	
Cc1ccc(C(=O)NCc2cccc(O)n2)c(O)c1O	781012826	GYJGJEWCJQTYEV-UHFFFAOYSA-N	274.276	1.437	10	20	CDCD	
COC(=O)[C@@H]1CCN(C(=O)c2ccc(C)c(O)c2O)[C@@H]1C	787506934	SHUFVEOYOGTCSG-NXEZZACHSA-N	293.319	1.430	10	20	CDCD	
CN(C)c1cccc(NC(=O)c2c(F)ccc(O)c2O)n1	789997291	GNGBILNCTDNFNP-UHFFFAOYSA-N	291.282	1.950	10	20	CDCD	
O=C(COC(=O)[C@@H]1C[C@@H]1C1CC1)c1ccc(O)c(O)c1	784056582	UWJXPGUMNOKMPF-GHMZBOCLSA-N	276.288	1.870	10	20	CDCD	
CN(Cc1cc(F)cc(F)c1O)C[C@H](O)C1CC1	894776577	IDIKQCMFPVARMO-LBPRGKRZSA-N	257.280	1.873	10	20	CDCD	
CCOc1cccc(CN[C@H]2C(=O)NCC2(C)C)c1O	895317451	OHVIHZSTWKASBS-ZDUSSCGKSA-N	278.352	1.405	10	20	CDCD	
COc1cccc(O)c1CN1C[C@H](C)S(=O)[C@@H](C)C1	792193624	ZBXCKUJQPYFLQS-QWRGUYRKSA-N	283.393	1.742	10	20	CDCD	
O=S1(=O)CC[C@H](CNCc2c(O)cccc2Cl)C1	83551660	XKMOJCGPXGQRPT-SECBINFHSA-N	289.784	1.570	10	20	CDCD	
C[C@H]1CN(Cc2c(O)cccc2Br)CCN1	706852075	LPMLXOWPMMPWED-VIFPVBQESA-N	285.185	1.948	10	20	CDCD	
C[C@H]1CCCN1C(=O)C(=O)N(C)Cc1ccccc1O	1325224084	JNWJIJZWWRBNEV-NSHDSACASA-N	276.336	1.362	10	20	CDCD	
Nc1ccc(CNC(=O)N2CC([C@H]3CCOC3)C2)cc1	1335726397	QZADQZFTQKYHMZ-LBPRGKRZSA-N	275.352	1.447	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CCOC2=O)c1	1346712967	WYJNZCRPYQNPHK-KWQFWETISA-N	294.307	1.077	10	20	CDCD	
C[C@H](O)C[C@H](C)N[C@@H](C)c1cccc(-c2nn[nH]n2)c1O	1603695264	JPFGAOHEZUFAJK-GUBZILKMSA-N	291.355	1.382	10	20	CDCD	
O=C(O)[C@H]1C[C@H](O)CN1Cc1cc(Cl)c(F)cc1O	1601770786	BRXXYVUEUFJKTM-OIBJUYFYSA-N	289.690	1.205	10	20	CDCD	
C[C@@H]1CN(C(=O)c2c(F)ccc(O)c2O)CC[C@@H]1C(=O)O	1603451375	VHAMURMUSUTHFD-SFYZADRCSA-N	297.282	1.420	10	20	CDCD	
O=C(O)c1coc(C(=O)NCc2c(O)cccc2O)c1	1602549744	YLQQJNRDIQZKDJ-UHFFFAOYSA-N	277.232	1.319	10	20	CDCD	
CC[C@@H](O)CCN[C@@H](C)c1cc(C(=O)O)ccc1O	1605111844	RZVPWXZILSSTLP-GXSJLCMTSA-N	267.325	1.902	10	20	CDCD	
C[C@@H](NC(=O)c1ccc(C(=O)O)cn1)c1ccccc1O	1594205106	GXAZDPCCPXGJEL-SECBINFHSA-N	286.287	1.976	10	20	CDCD	
C[C@@H]1C[C@@H](N[C@H](C)c2cc(C(=O)O)ccc2O)CCN1	1594261377	NOWANORHBINAQP-FOGDFJRCSA-N	278.352	1.882	10	20	CDCD	
CCN1CCc2cc(CN[C@@H](COC)C(=O)O)ccc21	1776877221	YNBNRXFALZXDCF-ZDUSSCGKSA-N	278.352	1.258	10	20	CDCD	
CC(C)OCCS(=O)(=O)NCc1ccccc1O	158578234	LUKHZUWFQIWDFJ-UHFFFAOYSA-N	273.354	1.237	10	20	CDCD	
NC[C@@H]1CN(Cc2cc(Cl)ccc2O)CCO1	164688168	PFRHIBRQKJXLBL-LLVKDONJSA-N	256.733	1.205	10	20	CDCD	
C[C@H](NCCc1cnn[nH]1)c1ccc(N(C)C)cc1	851949833	JXDFXHTVBGRESS-NSHDSACASA-N	259.357	1.764	10	20	CDCD	
CCOc1cccc(CNCC2(O)CCOCC2)c1O	112717348	GGNHAHLIWJWJLM-UHFFFAOYSA-N	281.352	1.422	10	20	CDCD	
CC(C)NC(=O)[C@H](C)NCc1cc2c(cc1O)OCO2	228935076	PLLKTTWNOPOGLO-VIFPVBQESA-N	280.324	1.124	10	20	CDCD	
C[C@@H]1C[C@H](C(=O)N(C)Cc2ccccc2O)CCN1	235419981	VLWVRQFGLCWYIK-VXGBXAGGSA-N	262.353	1.739	10	20	CDCD	
COc1ccc(O)c(CN2CCC[C@@H](CCN)C2)c1	70169515	MQTSYJNDOANOQY-LBPRGKRZSA-N	264.369	1.962	10	20	CDCD	
C[C@H](N[C@@H]1CCN(S(C)(=O)=O)C1)c1ccccc1O	400271324	MSKFPYVCMZZENV-WDEREUQCSA-N	284.381	1.077	10	20	CDCD	
Cc1ccc(O)c([C@H](C)NCCN2CCCC2=O)c1	405351477	COKXXQRKCKKOSC-LBPRGKRZSA-N	262.353	1.974	10	20	CDCD	
CCCN1CC[C@@H](NCc2cc(OC)ccc2O)C1	389169785	NMKHYENZTHZERW-CYBMUJFWSA-N	264.369	1.975	10	20	CDCD	
COc1cccc(CNC(=O)COCC2CC2)c1O	105651461	FJWFXMHMQAQDGH-UHFFFAOYSA-N	265.309	1.444	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CCCC[C@@H]2C(N)=O)c1O	50147461	HDIWCQMFRYFRCB-CYBMUJFWSA-N	294.326	1.574	10	20	CDCD	
Cc1cccc(CN2C[C@@H](CO)OC[C@H]2C)c1O	305800499	XDJKAQOXTQCHJW-YPMHNXCESA-N	251.326	1.282	10	20	CDCD	
C[C@H](NCCOCCS(C)(=O)=O)c1ccccc1O	183612562	OKKYUXLJKHUMCY-NSHDSACASA-N	287.381	1.104	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2ccc(=O)n(C)c2)c1	114540519	ZEQCEJJRALBKBQ-UHFFFAOYSA-N	288.303	1.030	10	20	CDCD	
Cc1ccc(C(=O)NCC2(O)CCCC2)c(O)c1O	182440696	UCTNPPGLNHLQKZ-UHFFFAOYSA-N	265.309	1.441	10	20	CDCD	
Cc1cccc(CN2CCC[C@@H](CC(N)=O)C2)c1O	180560047	UPZPLJZNEKNXPL-LBPRGKRZSA-N	262.353	1.788	10	20	CDCD	
CC(=O)c1cc(F)cc(CN2CCC(C(N)=O)CC2)c1O	37322437	BHKQNBWVSNSGOO-UHFFFAOYSA-N	294.326	1.431	10	20	CDCD	
COC(=O)[C@H]1[C@@H](O)CCCN1Cc1cccc(C)c1O	188791054	IVAHTKZRHHRRHQ-QWHCGFSZSA-N	279.336	1.199	10	20	CDCD	
O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H]1CCC[C@H](O)C1	181117257	MVTHRKNNVQBONM-JOVKLMRISA-N	291.347	1.778	10	20	CDCD	
CN(Cc1cc(F)ccc1O)[C@@H]1CCCCNC1=O	378491192	FMHPPVIWAXWUOA-GFCCVEGCSA-N	266.316	1.632	10	20	CDCD	
C/C=C/C[C@H](CO)NCc1cc(OC)c(OC)cc1O	186529430	DHDQEXQBRYGHRH-ZYOFXKKJSA-N	281.352	1.826	10	20	CDCD	
COC(=O)[C@](C)(NC(=O)Cc1ccc(N)cc1)C1CC1	237128071	NNWJSTDEXSMGLQ-OAHLLOKOSA-N	276.336	1.269	10	20	CDCD	
Cc1ccc(O)c(CN2CCNC(=O)[C@@H]2C(C)C)c1	93055372	BNKFULWIPAEFBK-AWEZNQCLSA-N	262.353	1.657	10	20	CDCD	
CCC[C@@H]1C(=O)NCCN1Cc1cccc(OC)c1O	93771693	JNCPTWGNWKUVHK-GFCCVEGCSA-N	278.352	1.501	10	20	CDCD	
CC(C)NC(=O)CCN[C@H](C)c1cc([N+](=O)[O-])ccc1O	273377076	HNEREYHUISRALW-SNVBAGLBSA-N	295.339	1.866	10	20	CDCD	
CN(C)c1ccc(CNC[C@@H](CO)[C@@H]2CCOC2)cc1F	280335437	QSYYPVJJOSAQIS-KGLIPLIRSA-N	296.386	1.626	10	20	CDCD	
CN(C)c1ccc(CNC(=O)NCCF)cc1F	281876841	VFBIXGTWILAGKO-UHFFFAOYSA-N	257.284	1.660	10	20	CDCD	
CCCCN1CC(=O)N[C@H]1c1ccc(N(C)C)cc1	298795583	SRKVTPVZNXSBNV-OAHLLOKOSA-N	261.369	1.983	10	20	CDCD	
Cc1cc(CN(C)[C@@H]2COC[C@H]2O)ccc1N(C)C	293528070	JEAQMZGIMYNTJN-HUUCEWRRSA-N	264.369	1.253	10	20	CDCD	
Cn1ncc(CCCNCc2c(O)cccc2Cl)n1	292893333	GBCBPEAOFORRPI-UHFFFAOYSA-N	280.759	1.897	10	20	CDCD	
CCOC(=O)[C@@H](C)Sc1ncc(C(=O)OC)s1	295421540	YFYLOVOFVHRSTF-ZCFIWIBFSA-N	275.351	1.973	10	20	CDCD	
COc1cccc(O)c1CN1C[C@@H](C)C[C@H](CO)C1	817412270	HMOXKOWUZKHURU-RYUDHWBXSA-N	265.353	1.851	10	20	CDCD	
CCCN(CC(N)=O)Cc1cc(OC)c(OC)cc1O	814177906	UGMXJOIYNPRPAN-UHFFFAOYSA-N	282.340	1.107	10	20	CDCD	
O=C(CNC(=O)NCc1ccccc1O)NC1CCCC1	726249156	FFILENLLIMSTFW-UHFFFAOYSA-N	291.351	1.250	10	20	CDCD	
Cc1nonc1CC(=O)N[C@H](C)c1ccccc1O	827952506	VWJOASNMCNWLGE-MRVPVSSYSA-N	261.281	1.504	10	20	CDCD	
O=C(/C=C\c1cncc(F)c1)N1CCn2nccc21	493629945	YXBDCLQRPGCVPV-UPHRSURJSA-N	258.256	1.477	10	20	CDCD	
CN(C)c1ccc(CNC(=O)C[C@H](N)C2CC2)cc1F	827906664	QYMPSZMTSGLZMA-ZDUSSCGKSA-N	279.359	1.635	10	20	CDCD	
COC[C@@H](C)NC(=O)N[C@H](C)c1cc(OC)ccc1O	729040833	IRPZBAXPJCMDRD-NXEZZACHSA-N	282.340	1.796	10	20	CDCD	
CN(Cc1ccc(N2CCOCC2)cc1)C1(CO)CCC1	827903193	FGSZMIJJLOETOJ-UHFFFAOYSA-N	290.407	1.870	10	20	CDCD	
C[C@@H](NC(=O)[C@H]1CCNC1=O)c1ccc(N(C)C)cc1	832430525	FXHLQXDYMAKUFF-MFKMUULPSA-N	275.352	1.066	10	20	CDCD	
COc1ccccc1NC[C@H](O)C[C@]1(O)CCOC1	905300902	QSPZPVVEZJIMBX-BXUZGUMPSA-N	267.325	1.010	10	20	CDCD	
CC[C@@H](NC(=O)c1c(F)ccc(O)c1O)[C@H](O)C(C)C	839870735	VJRPICMHHMHQTL-BXKDBHETSA-N	285.315	1.762	10	20	CDCD	
Nc1ccc(CC(=O)N2CCCn3nccc32)cc1	843488497	BWQZBDRPQSSYJT-UHFFFAOYSA-N	256.309	1.445	10	20	CDCD	
COc1cc(Cl)cc(CNC[C@@H](C)C(=O)O)c1O	848639337	HWVRKZGUSVVQQG-SSDOTTSWSA-N	273.716	1.865	10	20	CDCD	
CCOc1ccc(CNCC2(O)CCN(C)CC2)c(O)c1	740899138	SPOBRSFZBFZMIB-UHFFFAOYSA-N	294.395	1.337	10	20	CDCD	
C[C@@H](NC(=O)N1CCNCC1)c1ccc(N(C)C)cc1	841883217	SEYJOJFQGVQCOP-GFCCVEGCSA-N	276.384	1.428	10	20	CDCD	
CN(C)c1ccc(CN(CC(F)(F)F)C(=O)CO)cc1	912105634	DUXSRYBUJYFXPK-UHFFFAOYSA-N	290.285	1.636	10	20	CDCD	
COC[C@@](C)(O)CN[C@@H](C)c1cccc(OC)c1O	846143470	GABHCFYRJQOMBO-HZMBPMFUSA-N	269.341	1.449	10	20	CDCD	
COCCNCCNCc1cc(Cl)cc(OC)c1O	841048188	MRRSBSJNZUGVJU-UHFFFAOYSA-N	288.775	1.380	10	20	CDCD	
CN(Cc1ccc(N2CCOCC2)c(F)c1)C1CC(N)C1	843125042	MAPYNQZHEVGALV-UHFFFAOYSA-N	293.386	1.584	10	20	CDCD	
C[C@H](CO)C1CCN(C(=O)c2cccc(O)c2O)CC1	846470123	FUBSXAYUMSYHRC-SNVBAGLBSA-N	279.336	1.578	10	20	CDCD	
C[C@@H](CCN)NCc1ccc(N2CCN(C)CC2)cc1	841052986	YIJVZWFDIIIWFG-AWEZNQCLSA-N	276.428	1.265	10	20	CDCD	
O=C(O[C@@H]1CCCCC1=O)c1cccc(O)c1O	758583491	XOHZEXPNLMTJDW-LLVKDONJSA-N	250.250	1.766	10	20	CDCD	
COc1ccc(O)c(CNC(=O)c2ccnnc2C)c1	753659645	ZCWVCDYREYGQMO-UHFFFAOYSA-N	273.292	1.429	10	20	CDCD	
Cc1ccc(C(=O)N2CC(CN(C)C)C2)c(O)c1O	854724949	WKEINCJKIOXDHM-UHFFFAOYSA-N	264.325	1.040	10	20	CDCD	
CCCN1CC[C@@H](NC(=O)/C=C/c2ccc(O)c(O)c2)C1	856073273	MSRMOGKMQSAQTB-DIECRNLCSA-N	290.363	1.712	10	20	CDCD	
Cc1cccc(O)c1CNCC(=O)NCC(F)(F)F	876992376	CDYBEMXCUJYHEI-UHFFFAOYSA-N	276.258	1.469	10	20	CDCD	
CN(C(=O)/C=C\c1ccc(O)c(O)c1)c1ccn(C)n1	774177807	WBARDSYTOOMGJF-XQRVVYSFSA-N	273.292	1.508	10	20	CDCD	
C[C@H](NC(=O)NC[C@@H](O)C1CC1)c1ccc(N(C)C)cc1	776238031	HNWTUCGQECTQNM-XHDPSFHLSA-N	291.395	1.884	10	20	CDCD	
CC(=O)NC[C@@H]1CN(Cc2ccc(C)cc2O)CCO1	876742486	PWDGDWWCYFEMCM-CQSZACIVSA-N	278.352	1.038	10	20	CDCD	
Cc1cccc(O)c1CN1CCN(CC(C)(C)O)CC1	876680017	WPRSIHTZEYCZTJ-UHFFFAOYSA-N	278.396	1.589	10	20	CDCD	
O=C(NCC1CN(Cc2ccccc2O)C1)C(F)(F)F	877777069	NEQUVRZQMUOJST-UHFFFAOYSA-N	288.269	1.503	10	20	CDCD	
CCOC(=O)CN(CC)C(=O)/C=C/c1ccc(O)c(O)c1	779518960	ALTCJSRVMIESMH-SOFGYWHQSA-N	293.319	1.523	10	20	CDCD	
Cc1nonc1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	773018101	XKGHPHPAVKCAFI-VIFPVBQESA-N	274.324	1.935	10	20	CDCD	
O=C1N[C@@H](c2ccc(O)c(O)c2)N2Cc3ccccc3C[C@@H]12	877866243	FYQUDWNQATYXNJ-XJKSGUPXSA-N	296.326	1.653	10	20	CDCD	
CC[C@H]1C(=O)N(CC)CCN1Cc1cccc(OC)c1O	779214607	CCKBRKZJEVEJDQ-ZDUSSCGKSA-N	292.379	1.844	10	20	CDCD	
C[C@](CO)(NC(=O)/C=C/c1ccc(O)c(O)c1)C1CC1	779535015	UOMWEKJSBNCCIY-NKPGBKMFSA-N	277.320	1.388	10	20	CDCD	
COc1ccc(O)c([C@H](C)NC[C@H](O)CN2CCCC2)c1	775368806	GHTPJORSRMOWBH-STQMWFEESA-N	294.395	1.508	10	20	CDCD	
COc1c([N+](=O)[O-])ccc(CNC[C@@](C)(O)C2CC2)c1O	775013310	UUWZSMDOPITOHQ-CQSZACIVSA-N	296.323	1.560	10	20	CDCD	
COc1ccc(CNC2(CO)CCCC2)c(O)c1OC	893359936	FNJGWXFQFNLCIL-UHFFFAOYSA-N	281.352	1.804	10	20	CDCD	
CO[C@@H]1CN(Cc2cccc(Cl)c2O)CCO1	895968894	UKQFZFYIDZVGFF-NSHDSACASA-N	257.717	1.850	10	20	CDCD	
C[C@@H](CCN)NC(=O)N[C@H](C)c1ccccc1O	892057445	ZVYALMQUWNUCOK-VHSXEESVSA-N	251.330	1.490	10	20	CDCD	
CC[C@@H]1CN(Cc2cc(C)cc(OC)c2O)C[C@H]1O	894094705	LTXMJYVAZAOOJZ-DGCLKSJQSA-N	265.353	1.912	10	20	CDCD	
CN(Cc1cc(F)cc(F)c1O)[C@H]1CCCCNC1=O	893983821	GJZXYAJOLHNGJI-LBPRGKRZSA-N	284.306	1.771	10	20	CDCD	
CN(C)c1ccc(CNC[C@H]2COCCO2)cc1	37997893	PLXHYBOPQMHLGQ-AWEZNQCLSA-N	250.342	1.258	10	20	CDCD	
CCC[C@H](NCc1ccc(N2CCOCC2)cc1)C(=O)O	1321907881	WRXZJXWLKALOHL-HNNXBMFYSA-N	292.379	1.866	10	20	CDCD	
CN1CCC[C@H](CN(C)C(=O)NCc2ccc(N)cc2)C1	1337017722	DDUDDDBYEBJSDQ-AWEZNQCLSA-N	290.411	1.752	10	20	CDCD	
NCc1nccnc1NCc1ccc(N2CCOCC2)cc1	1336476957	NRFUEPIPRDJUKR-UHFFFAOYSA-N	299.378	1.384	10	20	CDCD	
CC(C)[C@H]1CCN1C(=O)C(=O)N(C)Cc1ccccc1O	1261350920	KGSXRRFRNCXLGA-CYBMUJFWSA-N	290.363	1.608	10	20	CDCD	
c1csc(Sc2ncncc2-c2nn[nH]n2)n1	1607136995	YGKUUCIBMUSULT-UHFFFAOYSA-N	263.311	1.264	10	20	CDCD	
O=C(O)[C@@H]1OCC[C@@H]1NCc1ccc(F)c(F)c1O	1602203164	WGHXSHZIEPAZJH-GZMMTYOYSA-N	273.235	1.002	10	20	CDCD	
O=C(O)[C@@H]1COCCN1Cc1cc(Cl)c(F)cc1O	1610746757	IEUGDKLFNGHLLU-JTQLQIEISA-N	289.690	1.470	10	20	CDCD	
CCn1cc(CNCc2ccc3c(c2)CCCO3)nn1	922242314	MZZCJMQFTOEMFY-UHFFFAOYSA-N	272.352	1.913	10	20	CDCD	
COc1cc(N2CC(C(=O)O)C2)c([N+](=O)[O-])cc1OC	214200046	BKMGVLCMWDTAES-UHFFFAOYSA-N	282.252	1.133	10	20	CDCD	
CN(CC(=O)N1CCCC1)Cc1cc(F)ccc1O	226561997	KBESHSWQUAHUOS-UHFFFAOYSA-N	266.316	1.586	10	20	CDCD	
CN(CCc1ccccn1)C(=O)c1cccc(O)c1O	126235203	YQJXSKZHJXZAOJ-UHFFFAOYSA-N	272.304	1.808	10	20	CDCD	
Fc1cc(CN2CCNCC2)ccc1N1CCOCC1	258408765	AEGORNVDEURKGK-UHFFFAOYSA-N	279.359	1.068	10	20	CDCD	
Cc1nc(CCN[C@@H](C)c2cc(F)ccc2O)n[nH]1	273405938	HBKUAICEMAPITH-QMMMGPOBSA-N	264.304	1.851	10	20	CDCD	
CN(Cc1ccccc1O)C(=O)[C@@H]1CCC[C@H](N)C1	70576701	CVSRTVLGTLYWNJ-YPMHNXCESA-N	262.353	1.868	10	20	CDCD